data_18905 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18905 _Entry.PDB_ID 2M2B 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 18905 _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 4 4 GLY N N 4 110.117 110.117 107.750 2.367 18905 2 1 1 . 1 1 4 4 GLY C C 4 171.413 171.413 173.742 -2.329 18905 3 1 1 . 1 1 4 4 GLY CA C 4 42.667 42.667 45.563 -2.896 18905 4 1 1 . 1 1 4 4 GLY H H 4 8.391 8.391 8.323 0.068 18905 5 1 1 . 1 1 5 5 VAL N N 5 119.501 119.501 117.915 1.586 18905 6 1 1 . 1 1 5 5 VAL HA H 5 4.018 4.018 4.493 -0.475 18905 7 1 1 . 1 1 5 5 VAL C C 5 173.738 173.738 174.577 -0.839 18905 8 1 1 . 1 1 5 5 VAL CA C 5 59.923 59.923 61.569 -1.646 18905 9 1 1 . 1 1 5 5 VAL CB C 5 30.111 30.111 33.516 -3.405 18905 10 1 1 . 1 1 5 5 VAL H H 5 7.951 7.951 7.728 0.223 18905 11 1 1 . 1 1 6 6 LEU N N 6 125.484 125.484 126.366 -0.882 18905 12 1 1 . 1 1 6 6 LEU HA H 6 4.280 4.280 4.946 -0.666 18905 13 1 1 . 1 1 6 6 LEU C C 6 174.708 174.708 176.011 -1.303 18905 14 1 1 . 1 1 6 6 LEU CA C 6 52.535 52.535 54.702 -2.167 18905 15 1 1 . 1 1 6 6 LEU CB C 6 39.586 39.586 44.491 -4.905 18905 16 1 1 . 1 1 6 6 LEU H H 6 8.248 8.248 8.209 0.039 18905 17 1 1 . 1 1 7 7 ALA N N 7 124.939 124.939 123.171 1.768 18905 18 1 1 . 1 1 7 7 ALA HA H 7 4.234 4.234 5.258 -1.024 18905 19 1 1 . 1 1 7 7 ALA C C 7 174.865 174.865 175.857 -0.992 18905 20 1 1 . 1 1 7 7 ALA CA C 7 50.136 50.136 51.550 -1.414 18905 21 1 1 . 1 1 7 7 ALA CB C 7 16.500 16.500 20.934 -4.434 18905 22 1 1 . 1 1 7 7 ALA H H 7 8.241 8.241 8.886 -0.645 18905 23 1 1 . 1 1 8 8 SER N N 8 117.901 117.901 115.551 2.350 18905 24 1 1 . 1 1 8 8 SER HA H 8 4.377 4.377 4.999 -0.622 18905 25 1 1 . 1 1 8 8 SER C C 8 172.221 172.221 174.045 -1.824 18905 26 1 1 . 1 1 8 8 SER CA C 8 56.008 56.008 57.716 -1.708 18905 27 1 1 . 1 1 8 8 SER CB C 8 61.008 61.008 64.458 -3.450 18905 28 1 1 . 1 1 8 8 SER H H 8 8.347 8.347 8.667 -0.320 18905 29 1 1 . 1 1 9 9 GLN N N 9 122.019 122.019 119.918 2.101 18905 30 1 1 . 1 1 9 9 GLN HA H 9 4.302 4.302 4.974 -0.672 18905 31 1 1 . 1 1 9 9 GLN C C 9 173.160 173.160 174.130 -0.970 18905 32 1 1 . 1 1 9 9 GLN CA C 9 53.470 53.470 54.817 -1.347 18905 33 1 1 . 1 1 9 9 GLN CB C 9 26.663 26.663 30.554 -3.891 18905 34 1 1 . 1 1 9 9 GLN H H 9 8.240 8.240 8.964 -0.724 18905 35 1 1 . 1 1 10 10 ALA N N 10 124.490 124.490 124.791 -0.301 18905 36 1 1 . 1 1 10 10 ALA HA H 10 4.238 4.238 5.069 -0.831 18905 37 1 1 . 1 1 10 10 ALA C C 10 175.142 175.142 175.358 -0.216 18905 38 1 1 . 1 1 10 10 ALA CA C 10 50.121 50.121 51.495 -1.374 18905 39 1 1 . 1 1 10 10 ALA CB C 10 16.322 16.322 20.981 -4.659 18905 40 1 1 . 1 1 10 10 ALA H H 10 8.132 8.132 8.684 -0.552 18905 41 1 1 . 1 1 11 11 LEU N N 11 120.785 120.785 120.551 0.234 18905 42 1 1 . 1 1 11 11 LEU HA H 11 4.278 4.278 5.056 -0.778 18905 43 1 1 . 1 1 11 11 LEU C C 11 174.929 174.929 175.842 -0.913 18905 44 1 1 . 1 1 11 11 LEU CA C 11 52.612 52.612 54.585 -1.973 18905 45 1 1 . 1 1 11 11 LEU CB C 11 39.647 39.647 44.880 -5.233 18905 46 1 1 . 1 1 11 11 LEU H H 11 8.088 8.088 8.839 -0.751 18905 47 1 1 . 1 1 12 12 SER N N 12 116.121 116.121 115.101 1.020 18905 48 1 1 . 1 1 12 12 SER C C 12 171.977 171.977 172.745 -0.768 18905 49 1 1 . 1 1 12 12 SER CA C 12 55.621 55.621 57.802 -2.181 18905 50 1 1 . 1 1 12 12 SER CB C 12 56.041 56.041 65.355 -9.314 18905 51 1 1 . 1 1 12 12 SER H H 12 8.170 8.170 8.465 -0.295 18905 52 1 1 . 1 1 13 13 GLN N N 13 122.139 122.139 119.568 2.571 18905 53 1 1 . 1 1 13 13 GLN HA H 13 4.312 4.312 5.006 -0.694 18905 54 1 1 . 1 1 13 13 GLN CA C 13 54.059 54.059 54.512 -0.453 18905 55 1 1 . 1 1 13 13 GLN H H 13 8.368 8.368 8.857 -0.489 18905 56 1 1 . 1 1 14 14 GLY N N 14 109.259 109.259 110.119 -0.860 18905 57 1 1 . 1 1 14 14 GLY CA C 14 42.970 42.970 44.645 -1.675 18905 58 1 1 . 1 1 14 14 GLY H H 14 8.378 8.378 8.645 -0.267 18905 59 1 1 . 1 1 15 15 SER N N 15 115.486 115.486 116.714 -1.228 18905 60 1 1 . 1 1 15 15 SER HA H 15 4.378 4.378 5.104 -0.726 18905 61 1 1 . 1 1 15 15 SER CA C 15 55.853 55.853 57.340 -1.487 18905 62 1 1 . 1 1 15 15 SER CB C 15 59.406 59.406 66.285 -6.879 18905 63 1 1 . 1 1 15 15 SER H H 15 8.085 8.085 8.661 -0.576 18905 64 1 1 . 1 1 16 16 GLU N N 16 120.501 120.501 122.237 -1.736 18905 65 1 1 . 1 1 16 16 GLU HA H 16 4.664 4.664 4.809 -0.145 18905 66 1 1 . 1 1 16 16 GLU CA C 16 50.628 50.628 54.618 -3.990 18905 67 1 1 . 1 1 16 16 GLU CB C 16 36.442 36.442 28.902 7.540 18905 68 1 1 . 1 1 16 16 GLU H H 16 8.376 8.376 8.459 -0.083 18905 69 1 1 . 1 1 17 17 PRO CA C 17 65.700 65.700 62.849 2.851 18905 70 1 1 . 1 1 22 22 ALA N N 22 124.130 124.130 124.134 -0.004 18905 71 1 1 . 1 1 22 22 ALA HA H 22 4.178 4.178 4.618 -0.440 18905 72 1 1 . 1 1 22 22 ALA CA C 22 49.746 49.746 51.745 -1.999 18905 73 1 1 . 1 1 22 22 ALA CB C 22 16.789 16.789 21.688 -4.899 18905 74 1 1 . 1 1 22 22 ALA H H 22 8.096 8.096 8.260 -0.164 18905 75 1 1 . 1 1 23 23 ASN N N 23 117.516 117.516 118.929 -1.413 18905 76 1 1 . 1 1 23 23 ASN HA H 23 4.672 4.672 4.903 -0.231 18905 77 1 1 . 1 1 23 23 ASN C C 23 171.179 171.179 173.761 -2.582 18905 78 1 1 . 1 1 23 23 ASN CA C 23 50.084 50.084 53.048 -2.964 18905 79 1 1 . 1 1 23 23 ASN CB C 23 36.737 36.737 41.077 -4.340 18905 80 1 1 . 1 1 23 23 ASN H H 23 8.037 8.037 8.488 -0.451 18905 81 1 1 . 1 1 24 24 ASP N N 24 118.387 118.387 126.539 -8.152 18905 82 1 1 . 1 1 24 24 ASP HA H 24 4.676 4.676 4.793 -0.117 18905 83 1 1 . 1 1 24 24 ASP CA C 24 50.660 50.660 55.621 -4.961 18905 84 1 1 . 1 1 24 24 ASP CB C 24 40.670 40.670 41.050 -0.380 18905 85 1 1 . 1 1 24 24 ASP H H 24 8.198 8.198 8.758 -0.559 18905 86 1 1 . 1 1 25 25 THR N N 25 114.224 114.224 120.259 -6.035 18905 87 1 1 . 1 1 25 25 THR HA H 25 5.275 5.275 5.043 0.232 18905 88 1 1 . 1 1 25 25 THR CA C 25 59.162 59.162 61.214 -2.052 18905 89 1 1 . 1 1 25 25 THR CB C 25 68.849 68.849 71.146 -2.297 18905 90 1 1 . 1 1 25 25 THR H H 25 8.090 8.090 8.113 -0.023 18905 91 1 1 . 1 1 26 26 ILE N N 26 126.637 126.637 126.258 0.379 18905 92 1 1 . 1 1 26 26 ILE HA H 26 4.650 4.650 4.252 0.398 18905 93 1 1 . 1 1 26 26 ILE C C 26 171.500 171.500 175.054 -3.554 18905 94 1 1 . 1 1 26 26 ILE CA C 26 56.930 56.930 60.009 -3.079 18905 95 1 1 . 1 1 26 26 ILE CB C 26 38.159 38.159 38.226 -0.067 18905 96 1 1 . 1 1 26 26 ILE H H 26 9.314 9.314 9.173 0.141 18905 97 1 1 . 1 1 27 27 ILE N N 27 126.764 126.764 123.885 2.879 18905 98 1 1 . 1 1 27 27 ILE HA H 27 4.955 4.955 4.901 0.054 18905 99 1 1 . 1 1 27 27 ILE C C 27 171.462 171.462 173.868 -2.406 18905 100 1 1 . 1 1 27 27 ILE CA C 27 56.909 56.909 59.355 -2.446 18905 101 1 1 . 1 1 27 27 ILE CB C 27 38.397 38.397 42.608 -4.211 18905 102 1 1 . 1 1 27 27 ILE H H 27 9.280 9.280 8.195 1.085 18905 103 1 1 . 1 1 28 28 LEU N N 28 125.666 125.666 126.958 -1.292 18905 104 1 1 . 1 1 28 28 LEU HA H 28 4.858 4.858 4.762 0.096 18905 105 1 1 . 1 1 28 28 LEU C C 28 172.714 172.714 176.550 -3.836 18905 106 1 1 . 1 1 28 28 LEU CA C 28 50.153 50.153 53.143 -2.990 18905 107 1 1 . 1 1 28 28 LEU CB C 28 39.943 39.943 43.377 -3.434 18905 108 1 1 . 1 1 28 28 LEU H H 28 8.791 8.791 8.709 0.082 18905 109 1 1 . 1 1 29 29 ARG N N 29 119.656 119.656 119.492 0.164 18905 110 1 1 . 1 1 29 29 ARG HA H 29 5.023 5.023 4.859 0.164 18905 111 1 1 . 1 1 29 29 ARG C C 29 172.927 172.927 176.583 -3.656 18905 112 1 1 . 1 1 29 29 ARG CA C 29 51.933 51.933 55.012 -3.079 18905 113 1 1 . 1 1 29 29 ARG CB C 29 31.298 31.298 33.452 -2.154 18905 114 1 1 . 1 1 29 29 ARG H H 29 8.742 8.742 8.390 0.352 18905 115 1 1 . 1 1 30 30 ASN N N 30 115.104 115.104 115.195 -0.091 18905 116 1 1 . 1 1 30 30 ASN HA H 30 4.319 4.319 4.376 -0.057 18905 117 1 1 . 1 1 30 30 ASN C C 30 172.025 172.025 174.745 -2.720 18905 118 1 1 . 1 1 30 30 ASN CA C 30 51.550 51.550 54.720 -3.170 18905 119 1 1 . 1 1 30 30 ASN CB C 30 35.656 35.656 38.198 -2.542 18905 120 1 1 . 1 1 30 30 ASN H H 30 8.292 8.292 8.723 -0.431 18905 121 1 1 . 1 1 31 31 LEU N N 31 113.394 113.394 118.261 -4.867 18905 122 1 1 . 1 1 31 31 LEU HA H 31 3.915 3.915 4.309 -0.395 18905 123 1 1 . 1 1 31 31 LEU C C 31 175.815 175.815 175.890 -0.075 18905 124 1 1 . 1 1 31 31 LEU CA C 31 52.148 52.148 54.931 -2.783 18905 125 1 1 . 1 1 31 31 LEU CB C 31 39.876 39.876 42.774 -2.898 18905 126 1 1 . 1 1 31 31 LEU H H 31 7.602 7.602 7.520 0.082 18905 127 1 1 . 1 1 32 32 ASN N N 32 123.357 123.357 115.913 7.444 18905 128 1 1 . 1 1 32 32 ASN HA H 32 4.476 4.476 4.952 -0.476 18905 129 1 1 . 1 1 32 32 ASN CA C 32 48.784 48.784 50.821 -2.037 18905 130 1 1 . 1 1 32 32 ASN CB C 32 36.284 36.284 38.957 -2.673 18905 131 1 1 . 1 1 32 32 ASN H H 32 9.816 9.816 7.972 1.844 18905 132 1 1 . 1 1 33 33 PRO HA H 33 4.339 4.339 4.438 -0.099 18905 133 1 1 . 1 1 33 33 PRO CA C 33 61.514 61.514 65.209 -3.695 18905 134 1 1 . 1 1 33 33 PRO CB C 33 30.320 30.320 31.745 -1.425 18905 135 1 1 . 1 1 34 34 HIS N N 34 111.187 111.187 114.991 -3.804 18905 136 1 1 . 1 1 34 34 HIS HA H 34 4.402 4.402 4.661 -0.259 18905 137 1 1 . 1 1 34 34 HIS CA C 34 53.125 53.125 55.631 -2.506 18905 138 1 1 . 1 1 34 34 HIS CB C 34 25.760 25.760 29.776 -4.016 18905 139 1 1 . 1 1 34 34 HIS H H 34 8.856 8.856 8.840 0.016 18905 140 1 1 . 1 1 35 35 SER N N 35 118.219 118.219 116.005 2.214 18905 141 1 1 . 1 1 35 35 SER HA H 35 4.718 4.718 4.361 0.357 18905 142 1 1 . 1 1 35 35 SER CB C 35 60.222 60.222 64.075 -3.853 18905 143 1 1 . 1 1 35 35 SER H H 35 8.262 8.262 7.656 0.606 18905 144 1 1 . 1 1 36 36 THR N N 36 114.157 114.157 111.735 2.422 18905 145 1 1 . 1 1 36 36 THR HA H 36 4.545 4.545 4.590 -0.045 18905 146 1 1 . 1 1 36 36 THR CA C 36 56.508 56.508 60.206 -3.698 18905 147 1 1 . 1 1 36 36 THR CB C 36 70.051 70.051 70.258 -0.207 18905 148 1 1 . 1 1 36 36 THR H H 36 8.451 8.451 8.249 0.202 18905 149 1 1 . 1 1 37 37 MET N N 37 119.815 119.815 119.640 0.175 18905 150 1 1 . 1 1 37 37 MET HA H 37 3.943 3.943 4.170 -0.227 18905 151 1 1 . 1 1 37 37 MET CA C 37 56.204 56.204 58.242 -2.038 18905 152 1 1 . 1 1 37 37 MET CB C 37 28.959 28.959 32.745 -3.786 18905 153 1 1 . 1 1 37 37 MET H H 37 8.928 8.928 8.619 0.309 18905 154 1 1 . 1 1 38 38 ASP N N 38 115.357 115.357 118.640 -3.283 18905 155 1 1 . 1 1 38 38 ASP HA H 38 4.301 4.301 4.346 -0.045 18905 156 1 1 . 1 1 38 38 ASP CA C 38 54.750 54.750 57.805 -3.055 18905 157 1 1 . 1 1 38 38 ASP CB C 38 37.934 37.934 40.186 -2.252 18905 158 1 1 . 1 1 38 38 ASP H H 38 8.096 8.096 8.673 -0.577 18905 159 1 1 . 1 1 39 39 SER N N 39 118.933 118.933 115.167 3.766 18905 160 1 1 . 1 1 39 39 SER HA H 39 4.253 4.253 4.182 0.071 18905 161 1 1 . 1 1 39 39 SER C C 39 174.818 174.818 176.775 -1.957 18905 162 1 1 . 1 1 39 39 SER CA C 39 58.767 58.767 61.449 -2.682 18905 163 1 1 . 1 1 39 39 SER CB C 39 61.631 61.631 63.055 -1.424 18905 164 1 1 . 1 1 39 39 SER H H 39 8.088 8.088 8.209 -0.121 18905 165 1 1 . 1 1 40 40 ILE N N 40 124.376 124.376 121.720 2.656 18905 166 1 1 . 1 1 40 40 ILE HA H 40 3.538 3.538 3.792 -0.254 18905 167 1 1 . 1 1 40 40 ILE C C 40 174.358 174.358 177.341 -2.983 18905 168 1 1 . 1 1 40 40 ILE CA C 40 62.936 62.936 64.784 -1.848 18905 169 1 1 . 1 1 40 40 ILE CB C 40 35.725 35.725 38.066 -2.341 18905 170 1 1 . 1 1 40 40 ILE H H 40 8.009 8.009 7.595 0.414 18905 171 1 1 . 1 1 41 41 LEU N N 41 117.914 117.914 120.136 -2.222 18905 172 1 1 . 1 1 41 41 LEU HA H 41 3.818 3.818 3.877 -0.059 18905 173 1 1 . 1 1 41 41 LEU C C 41 178.292 178.292 179.464 -1.172 18905 174 1 1 . 1 1 41 41 LEU CA C 41 55.496 55.496 57.891 -2.395 18905 175 1 1 . 1 1 41 41 LEU CB C 41 38.574 38.574 41.517 -2.943 18905 176 1 1 . 1 1 41 41 LEU H H 41 8.574 8.574 7.844 0.730 18905 177 1 1 . 1 1 42 42 GLY N N 42 105.053 105.053 105.533 -0.480 18905 178 1 1 . 1 1 42 42 GLY C C 42 173.318 173.318 175.667 -2.349 18905 179 1 1 . 1 1 42 42 GLY CA C 42 44.283 44.283 46.632 -2.349 18905 180 1 1 . 1 1 42 42 GLY H H 42 8.207 8.207 8.385 -0.178 18905 181 1 1 . 1 1 43 43 ALA N N 43 122.411 122.411 123.992 -1.581 18905 182 1 1 . 1 1 43 43 ALA HA H 43 4.245 4.245 4.240 0.005 18905 183 1 1 . 1 1 43 43 ALA C C 43 176.200 176.200 178.909 -2.709 18905 184 1 1 . 1 1 43 43 ALA CA C 43 51.148 51.148 54.587 -3.439 18905 185 1 1 . 1 1 43 43 ALA CB C 43 17.381 17.381 18.959 -1.578 18905 186 1 1 . 1 1 43 43 ALA H H 43 7.571 7.571 7.662 -0.091 18905 187 1 1 . 1 1 44 44 LEU N N 44 113.121 113.121 117.662 -4.541 18905 188 1 1 . 1 1 44 44 LEU HA H 44 4.514 4.514 4.585 -0.071 18905 189 1 1 . 1 1 44 44 LEU C C 44 174.187 174.187 179.003 -4.816 18905 190 1 1 . 1 1 44 44 LEU CA C 44 52.247 52.247 54.214 -1.967 18905 191 1 1 . 1 1 44 44 LEU CB C 44 40.210 40.210 40.472 -0.262 18905 192 1 1 . 1 1 44 44 LEU H H 44 7.533 7.533 7.953 -0.420 18905 193 1 1 . 1 1 45 45 ALA N N 45 123.574 123.574 124.946 -1.372 18905 194 1 1 . 1 1 45 45 ALA HA H 45 4.313 4.313 4.052 0.261 18905 195 1 1 . 1 1 45 45 ALA CA C 45 53.187 53.187 56.553 -3.365 18905 196 1 1 . 1 1 45 45 ALA CB C 45 14.134 14.134 16.416 -2.281 18905 197 1 1 . 1 1 45 45 ALA H H 45 7.398 7.398 7.614 -0.216 18905 198 1 1 . 1 1 46 46 PRO HA H 46 4.043 4.043 4.266 -0.223 18905 199 1 1 . 1 1 46 46 PRO CA C 46 61.784 61.784 63.823 -2.039 18905 200 1 1 . 1 1 46 46 PRO CB C 46 27.999 27.999 31.235 -3.236 18905 201 1 1 . 1 1 47 47 TYR N N 47 114.404 114.404 118.524 -4.120 18905 202 1 1 . 1 1 47 47 TYR HA H 47 4.527 4.527 4.765 -0.238 18905 203 1 1 . 1 1 47 47 TYR CA C 47 54.406 54.406 56.169 -1.763 18905 204 1 1 . 1 1 47 47 TYR CB C 47 37.537 37.537 38.733 -1.196 18905 205 1 1 . 1 1 47 47 TYR H H 47 7.897 7.897 7.661 0.236 18905 206 1 1 . 1 1 48 48 ALA N N 48 119.845 119.845 120.107 -0.262 18905 207 1 1 . 1 1 48 48 ALA HA H 48 4.360 4.360 4.672 -0.312 18905 208 1 1 . 1 1 48 48 ALA C C 48 171.938 171.938 175.346 -3.408 18905 209 1 1 . 1 1 48 48 ALA CA C 48 49.129 49.129 51.315 -2.186 18905 210 1 1 . 1 1 48 48 ALA CB C 48 19.614 19.614 21.345 -1.731 18905 211 1 1 . 1 1 48 48 ALA H H 48 8.083 8.083 7.239 0.844 18905 212 1 1 . 1 1 49 49 VAL N N 49 122.528 122.528 121.476 1.052 18905 213 1 1 . 1 1 49 49 VAL HA H 49 3.904 3.904 4.415 -0.511 18905 214 1 1 . 1 1 49 49 VAL C C 49 172.490 172.490 174.809 -2.319 18905 215 1 1 . 1 1 49 49 VAL CA C 49 60.373 60.373 62.568 -2.195 18905 216 1 1 . 1 1 49 49 VAL CB C 49 28.257 28.257 31.640 -3.383 18905 217 1 1 . 1 1 49 49 VAL H H 49 8.414 8.414 8.552 -0.138 18905 218 1 1 . 1 1 50 50 LEU N N 50 127.924 127.924 123.787 4.137 18905 219 1 1 . 1 1 50 50 LEU HA H 50 4.650 4.650 4.902 -0.252 18905 220 1 1 . 1 1 50 50 LEU C C 50 172.488 172.488 175.234 -2.746 18905 221 1 1 . 1 1 50 50 LEU CA C 50 50.523 50.523 53.514 -2.991 18905 222 1 1 . 1 1 50 50 LEU CB C 50 42.647 42.647 44.232 -1.585 18905 223 1 1 . 1 1 50 50 LEU H H 50 7.904 7.904 7.746 0.158 18905 224 1 1 . 1 1 51 51 SER N N 51 114.999 114.999 114.220 0.779 18905 225 1 1 . 1 1 51 51 SER HA H 51 4.783 4.783 4.810 -0.027 18905 226 1 1 . 1 1 51 51 SER C C 51 172.827 172.827 174.120 -1.293 18905 227 1 1 . 1 1 51 51 SER CA C 51 53.708 53.708 57.803 -4.095 18905 228 1 1 . 1 1 51 51 SER CB C 51 63.424 63.424 65.471 -2.047 18905 229 1 1 . 1 1 51 51 SER H H 51 8.623 8.623 8.393 0.230 18905 230 1 1 . 1 1 52 52 SER N N 52 118.355 118.355 115.487 2.868 18905 231 1 1 . 1 1 52 52 SER HA H 52 4.301 4.301 4.455 -0.154 18905 232 1 1 . 1 1 52 52 SER C C 52 173.242 173.242 175.672 -2.430 18905 233 1 1 . 1 1 52 52 SER CA C 52 58.709 58.709 59.918 -1.209 18905 234 1 1 . 1 1 52 52 SER CB C 52 59.826 59.826 62.660 -2.834 18905 235 1 1 . 1 1 52 52 SER H H 52 9.117 9.117 8.667 0.450 18905 236 1 1 . 1 1 53 53 SER N N 53 114.926 114.926 116.857 -1.931 18905 237 1 1 . 1 1 53 53 SER HA H 53 4.292 4.292 4.312 -0.020 18905 238 1 1 . 1 1 53 53 SER CA C 53 57.882 57.882 60.682 -2.800 18905 239 1 1 . 1 1 53 53 SER CB C 53 60.220 60.220 63.408 -3.188 18905 240 1 1 . 1 1 53 53 SER H H 53 8.014 8.014 7.961 0.053 18905 241 1 1 . 1 1 54 54 ASN N N 54 116.432 116.432 119.274 -2.842 18905 242 1 1 . 1 1 54 54 ASN HA H 54 4.914 4.914 4.590 0.324 18905 243 1 1 . 1 1 54 54 ASN C C 54 170.744 170.744 175.792 -5.048 18905 244 1 1 . 1 1 54 54 ASN CA C 54 52.054 52.054 55.485 -3.431 18905 245 1 1 . 1 1 54 54 ASN CB C 54 38.952 38.952 39.125 -0.173 18905 246 1 1 . 1 1 54 54 ASN H H 54 7.996 7.996 7.849 0.147 18905 247 1 1 . 1 1 55 55 VAL N N 55 118.877 118.877 121.421 -2.544 18905 248 1 1 . 1 1 55 55 VAL HA H 55 4.891 4.891 4.272 0.619 18905 249 1 1 . 1 1 55 55 VAL C C 55 171.238 171.238 175.316 -4.078 18905 250 1 1 . 1 1 55 55 VAL CA C 55 58.709 58.709 63.941 -5.232 18905 251 1 1 . 1 1 55 55 VAL CB C 55 31.652 31.652 31.136 0.516 18905 252 1 1 . 1 1 55 55 VAL H H 55 7.421 7.421 7.586 -0.165 18905 253 1 1 . 1 1 56 56 ARG N N 56 125.757 125.757 128.463 -2.706 18905 254 1 1 . 1 1 56 56 ARG HA H 56 4.708 4.708 4.779 -0.071 18905 255 1 1 . 1 1 56 56 ARG C C 56 172.321 172.321 174.052 -1.731 18905 256 1 1 . 1 1 56 56 ARG CA C 56 51.878 51.878 54.756 -2.878 18905 257 1 1 . 1 1 56 56 ARG CB C 56 30.211 30.211 34.925 -4.714 18905 258 1 1 . 1 1 56 56 ARG H H 56 9.011 9.011 8.407 0.604 18905 259 1 1 . 1 1 57 57 VAL N N 57 125.646 125.646 123.093 2.553 18905 260 1 1 . 1 1 57 57 VAL HA H 57 3.878 3.878 4.144 -0.266 18905 261 1 1 . 1 1 57 57 VAL C C 57 172.129 172.129 174.583 -2.454 18905 262 1 1 . 1 1 57 57 VAL CA C 57 59.043 59.043 61.187 -2.144 18905 263 1 1 . 1 1 57 57 VAL CB C 57 30.019 30.019 33.281 -3.262 18905 264 1 1 . 1 1 57 57 VAL H H 57 8.794 8.794 8.432 0.362 18905 265 1 1 . 1 1 58 58 ILE N N 58 127.547 127.547 128.935 -1.388 18905 266 1 1 . 1 1 58 58 ILE HA H 58 4.049 4.049 4.045 0.004 18905 267 1 1 . 1 1 58 58 ILE C C 58 172.672 172.672 176.030 -3.358 18905 268 1 1 . 1 1 58 58 ILE CA C 58 57.246 57.246 60.937 -3.691 18905 269 1 1 . 1 1 58 58 ILE CB C 58 32.839 32.839 37.347 -4.508 18905 270 1 1 . 1 1 58 58 ILE H H 58 7.259 7.259 7.999 -0.740 18905 271 1 1 . 1 1 59 59 LYS N N 59 127.231 127.231 125.231 2.000 18905 272 1 1 . 1 1 59 59 LYS HA H 59 4.532 4.532 4.399 0.133 18905 273 1 1 . 1 1 59 59 LYS C C 59 173.119 173.119 175.671 -2.552 18905 274 1 1 . 1 1 59 59 LYS CA C 59 52.444 52.444 55.641 -3.197 18905 275 1 1 . 1 1 59 59 LYS CB C 59 32.374 32.374 33.719 -1.345 18905 276 1 1 . 1 1 59 59 LYS H H 59 8.571 8.571 8.023 0.548 18905 277 1 1 . 1 1 60 60 ASP N N 60 123.232 123.232 119.416 3.816 18905 278 1 1 . 1 1 60 60 ASP HA H 60 4.496 4.496 4.793 -0.297 18905 279 1 1 . 1 1 60 60 ASP C C 60 174.118 174.118 176.702 -2.584 18905 280 1 1 . 1 1 60 60 ASP CA C 60 50.786 50.786 53.201 -2.415 18905 281 1 1 . 1 1 60 60 ASP CB C 60 40.058 40.058 43.191 -3.133 18905 282 1 1 . 1 1 60 60 ASP H H 60 8.527 8.527 8.332 0.195 18905 283 1 1 . 1 1 61 61 LYS N N 61 125.977 125.977 121.291 4.686 18905 284 1 1 . 1 1 61 61 LYS HA H 61 3.918 3.918 4.245 -0.327 18905 285 1 1 . 1 1 61 61 LYS C C 61 174.696 174.696 177.777 -3.081 18905 286 1 1 . 1 1 61 61 LYS CA C 61 56.017 56.017 58.189 -2.172 18905 287 1 1 . 1 1 61 61 LYS CB C 61 29.813 29.813 32.846 -3.033 18905 288 1 1 . 1 1 61 61 LYS H H 61 8.770 8.770 8.439 0.331 18905 289 1 1 . 1 1 62 62 GLN N N 62 116.732 116.732 117.586 -0.854 18905 290 1 1 . 1 1 62 62 GLN HA H 62 4.252 4.252 4.193 0.059 18905 291 1 1 . 1 1 62 62 GLN C C 62 174.793 174.793 176.774 -1.981 18905 292 1 1 . 1 1 62 62 GLN CA C 62 55.001 55.001 57.185 -2.184 18905 293 1 1 . 1 1 62 62 GLN CB C 62 26.516 26.516 29.464 -2.948 18905 294 1 1 . 1 1 62 62 GLN H H 62 8.538 8.538 8.741 -0.203 18905 295 1 1 . 1 1 63 63 THR N N 63 108.519 108.519 110.353 -1.834 18905 296 1 1 . 1 1 63 63 THR HA H 63 4.265 4.265 4.513 -0.248 18905 297 1 1 . 1 1 63 63 THR CA C 63 59.302 59.302 60.229 -0.927 18905 298 1 1 . 1 1 63 63 THR CB C 63 67.891 67.891 70.725 -2.834 18905 299 1 1 . 1 1 63 63 THR H H 63 7.882 7.882 7.700 0.182 18905 300 1 1 . 1 1 64 64 GLN N N 64 113.890 113.890 118.237 -4.347 18905 301 1 1 . 1 1 64 64 GLN HA H 64 3.829 3.829 4.566 -0.737 18905 302 1 1 . 1 1 64 64 GLN C C 64 172.129 172.129 174.781 -2.652 18905 303 1 1 . 1 1 64 64 GLN CA C 64 54.560 54.560 54.906 -0.346 18905 304 1 1 . 1 1 64 64 GLN CB C 64 23.812 23.812 28.396 -4.584 18905 305 1 1 . 1 1 64 64 GLN H H 64 8.188 8.188 8.413 -0.225 18905 306 1 1 . 1 1 65 65 LEU N N 65 119.516 119.516 120.626 -1.110 18905 307 1 1 . 1 1 65 65 LEU HA H 65 4.463 4.463 4.605 -0.142 18905 308 1 1 . 1 1 65 65 LEU C C 65 174.174 174.174 175.215 -1.041 18905 309 1 1 . 1 1 65 65 LEU CA C 65 51.024 51.024 53.512 -2.488 18905 310 1 1 . 1 1 65 65 LEU CB C 65 39.608 39.608 45.533 -5.925 18905 311 1 1 . 1 1 65 65 LEU H H 65 7.682 7.682 7.954 -0.272 18905 312 1 1 . 1 1 66 66 ASN N N 66 117.776 117.776 117.629 0.147 18905 313 1 1 . 1 1 66 66 ASN HA H 66 4.958 4.958 4.726 0.232 18905 314 1 1 . 1 1 66 66 ASN C C 66 171.913 171.913 175.544 -3.631 18905 315 1 1 . 1 1 66 66 ASN CA C 66 50.440 50.440 53.204 -2.764 18905 316 1 1 . 1 1 66 66 ASN CB C 66 36.771 36.771 39.184 -2.413 18905 317 1 1 . 1 1 66 66 ASN H H 66 8.771 8.771 8.275 0.496 18905 318 1 1 . 1 1 67 67 ARG N N 67 117.508 117.508 119.939 -2.431 18905 319 1 1 . 1 1 67 67 ARG HA H 67 4.193 4.193 4.499 -0.306 18905 320 1 1 . 1 1 67 67 ARG CA C 67 53.615 53.615 55.291 -1.676 18905 321 1 1 . 1 1 67 67 ARG CB C 67 28.137 28.137 30.739 -2.602 18905 322 1 1 . 1 1 67 67 ARG H H 67 8.313 8.313 7.789 0.524 18905 323 1 1 . 1 1 68 68 GLY N N 68 107.904 107.904 106.793 1.111 18905 324 1 1 . 1 1 68 68 GLY CA C 68 42.842 42.842 45.618 -2.776 18905 325 1 1 . 1 1 68 68 GLY H H 68 9.437 9.437 8.658 0.779 18905 326 1 1 . 1 1 69 69 PHE N N 69 113.804 113.804 115.513 -1.709 18905 327 1 1 . 1 1 69 69 PHE HA H 69 5.754 5.754 5.509 0.245 18905 328 1 1 . 1 1 69 69 PHE C C 69 170.151 170.151 172.833 -2.682 18905 329 1 1 . 1 1 69 69 PHE CA C 69 51.625 51.625 54.638 -3.013 18905 330 1 1 . 1 1 69 69 PHE CB C 69 39.587 39.587 41.757 -2.170 18905 331 1 1 . 1 1 69 69 PHE H H 69 6.750 6.750 7.337 -0.587 18905 332 1 1 . 1 1 70 70 ALA N N 70 118.965 118.965 119.200 -0.235 18905 333 1 1 . 1 1 70 70 ALA HA H 70 4.807 4.807 4.316 0.491 18905 334 1 1 . 1 1 70 70 ALA C C 70 171.693 171.693 174.567 -2.874 18905 335 1 1 . 1 1 70 70 ALA CA C 70 47.155 47.155 51.689 -4.534 18905 336 1 1 . 1 1 70 70 ALA CB C 70 21.153 21.153 21.592 -0.439 18905 337 1 1 . 1 1 70 70 ALA H H 70 8.526 8.526 7.854 0.672 18905 338 1 1 . 1 1 71 71 PHE N N 71 117.469 117.469 117.524 -0.055 18905 339 1 1 . 1 1 71 71 PHE HA H 71 5.537 5.537 5.483 0.054 18905 340 1 1 . 1 1 71 71 PHE C C 71 172.630 172.630 174.537 -1.907 18905 341 1 1 . 1 1 71 71 PHE CA C 71 52.609 52.609 56.303 -3.694 18905 342 1 1 . 1 1 71 71 PHE CB C 71 39.675 39.675 44.291 -4.616 18905 343 1 1 . 1 1 71 71 PHE H H 71 8.824 8.824 8.864 -0.040 18905 344 1 1 . 1 1 72 72 ILE N N 72 122.867 122.867 120.770 2.097 18905 345 1 1 . 1 1 72 72 ILE HA H 72 5.022 5.022 4.799 0.223 18905 346 1 1 . 1 1 72 72 ILE CA C 72 56.881 56.881 60.416 -3.535 18905 347 1 1 . 1 1 72 72 ILE CB C 72 37.031 37.031 41.766 -4.735 18905 348 1 1 . 1 1 72 72 ILE H H 72 9.555 9.555 9.214 0.341 18905 349 1 1 . 1 1 73 73 GLN N N 73 128.422 128.422 127.319 1.103 18905 350 1 1 . 1 1 73 73 GLN HA H 73 5.170 5.170 4.428 0.742 18905 351 1 1 . 1 1 73 73 GLN CA C 73 52.252 52.252 55.744 -3.492 18905 352 1 1 . 1 1 73 73 GLN CB C 73 28.291 28.291 29.934 -1.643 18905 353 1 1 . 1 1 73 73 GLN H H 73 8.964 8.964 8.194 0.770 18905 354 1 1 . 1 1 74 74 LEU N N 74 126.707 126.707 124.258 2.449 18905 355 1 1 . 1 1 74 74 LEU HA H 74 4.789 4.789 4.687 0.102 18905 356 1 1 . 1 1 74 74 LEU CA C 74 50.617 50.617 52.936 -2.319 18905 357 1 1 . 1 1 74 74 LEU CB C 74 44.885 44.885 46.399 -1.514 18905 358 1 1 . 1 1 74 74 LEU H H 74 8.420 8.420 7.787 0.633 18905 359 1 1 . 1 1 75 75 SER HA H 75 4.284 4.284 4.551 -0.267 18905 360 1 1 . 1 1 75 75 SER CA C 75 55.390 55.390 57.612 -2.222 18905 361 1 1 . 1 1 75 75 SER CB C 75 61.275 61.275 64.472 -3.197 18905 362 1 1 . 1 1 76 76 THR N N 76 116.193 116.193 116.826 -0.633 18905 363 1 1 . 1 1 76 76 THR HA H 76 3.994 3.994 4.153 -0.159 18905 364 1 1 . 1 1 76 76 THR C C 76 174.630 174.630 176.388 -1.758 18905 365 1 1 . 1 1 76 76 THR CA C 76 64.225 64.225 65.663 -1.438 18905 366 1 1 . 1 1 76 76 THR CB C 76 66.003 66.003 68.533 -2.530 18905 367 1 1 . 1 1 76 76 THR H H 76 8.614 8.614 8.695 -0.081 18905 368 1 1 . 1 1 77 77 ILE N N 77 120.400 120.400 120.173 0.227 18905 369 1 1 . 1 1 77 77 ILE HA H 77 3.911 3.911 3.837 0.074 18905 370 1 1 . 1 1 77 77 ILE C C 77 175.577 175.577 177.157 -1.580 18905 371 1 1 . 1 1 77 77 ILE CA C 77 61.264 61.264 64.562 -3.298 18905 372 1 1 . 1 1 77 77 ILE CB C 77 35.379 35.379 37.717 -2.338 18905 373 1 1 . 1 1 77 77 ILE H H 77 8.044 8.044 8.399 -0.355 18905 374 1 1 . 1 1 78 78 GLU N N 78 120.562 120.562 118.537 2.025 18905 375 1 1 . 1 1 78 78 GLU HA H 78 4.062 4.062 4.090 -0.028 18905 376 1 1 . 1 1 78 78 GLU C C 78 176.596 176.596 178.124 -1.528 18905 377 1 1 . 1 1 78 78 GLU CA C 78 56.355 56.355 58.958 -2.603 18905 378 1 1 . 1 1 78 78 GLU CB C 78 27.668 27.668 29.576 -1.908 18905 379 1 1 . 1 1 78 78 GLU H H 78 7.548 7.548 8.047 -0.499 18905 380 1 1 . 1 1 79 79 ALA N N 79 122.789 122.789 122.723 0.066 18905 381 1 1 . 1 1 79 79 ALA HA H 79 3.923 3.923 3.994 -0.071 18905 382 1 1 . 1 1 79 79 ALA C C 79 175.736 175.736 178.838 -3.102 18905 383 1 1 . 1 1 79 79 ALA CA C 79 52.649 52.649 54.987 -2.338 18905 384 1 1 . 1 1 79 79 ALA CB C 79 15.305 15.305 18.259 -2.954 18905 385 1 1 . 1 1 79 79 ALA H H 79 9.279 9.279 8.227 1.052 18905 386 1 1 . 1 1 80 80 ALA N N 80 118.643 118.643 118.069 0.574 18905 387 1 1 . 1 1 80 80 ALA HA H 80 4.001 4.001 4.284 -0.283 18905 388 1 1 . 1 1 80 80 ALA C C 80 177.943 177.943 177.618 0.325 18905 389 1 1 . 1 1 80 80 ALA CA C 80 52.521 52.521 53.736 -1.215 18905 390 1 1 . 1 1 80 80 ALA CB C 80 15.281 15.281 18.182 -2.901 18905 391 1 1 . 1 1 80 80 ALA H H 80 7.688 7.688 7.963 -0.275 18905 392 1 1 . 1 1 81 81 GLN N N 81 116.877 116.877 116.592 0.285 18905 393 1 1 . 1 1 81 81 GLN HA H 81 4.015 4.015 4.389 -0.374 18905 394 1 1 . 1 1 81 81 GLN CA C 81 55.760 55.760 56.288 -0.528 18905 395 1 1 . 1 1 81 81 GLN CB C 81 25.786 25.786 29.868 -4.082 18905 396 1 1 . 1 1 81 81 GLN H H 81 7.593 7.593 7.466 0.127 18905 397 1 1 . 1 1 82 82 LEU N N 82 119.946 119.946 123.581 -3.635 18905 398 1 1 . 1 1 82 82 LEU HA H 82 4.121 4.121 4.035 0.086 18905 399 1 1 . 1 1 82 82 LEU C C 82 175.358 175.358 178.247 -2.889 18905 400 1 1 . 1 1 82 82 LEU CA C 82 54.781 54.781 57.474 -2.693 18905 401 1 1 . 1 1 82 82 LEU CB C 82 38.240 38.240 41.834 -3.594 18905 402 1 1 . 1 1 82 82 LEU H H 82 8.258 8.258 8.194 0.064 18905 403 1 1 . 1 1 83 83 LEU N N 83 119.288 119.288 119.026 0.262 18905 404 1 1 . 1 1 83 83 LEU HA H 83 3.585 3.585 3.746 -0.161 18905 405 1 1 . 1 1 83 83 LEU C C 83 175.365 175.365 178.429 -3.064 18905 406 1 1 . 1 1 83 83 LEU CA C 83 56.142 56.142 58.702 -2.560 18905 407 1 1 . 1 1 83 83 LEU CB C 83 38.875 38.875 41.607 -2.732 18905 408 1 1 . 1 1 83 83 LEU H H 83 8.407 8.407 7.756 0.651 18905 409 1 1 . 1 1 84 84 GLN N N 84 115.391 115.391 116.793 -1.402 18905 410 1 1 . 1 1 84 84 GLN HA H 84 3.878 3.878 4.049 -0.171 18905 411 1 1 . 1 1 84 84 GLN C C 84 176.472 176.472 178.614 -2.142 18905 412 1 1 . 1 1 84 84 GLN CA C 84 56.142 56.142 58.527 -2.385 18905 413 1 1 . 1 1 84 84 GLN CB C 84 25.733 25.733 28.084 -2.351 18905 414 1 1 . 1 1 84 84 GLN H H 84 7.347 7.347 7.980 -0.633 18905 415 1 1 . 1 1 85 85 ILE N N 85 119.593 119.593 120.630 -1.037 18905 416 1 1 . 1 1 85 85 ILE HA H 85 3.607 3.607 3.631 -0.024 18905 417 1 1 . 1 1 85 85 ILE CA C 85 61.779 61.779 64.481 -2.702 18905 418 1 1 . 1 1 85 85 ILE CB C 85 35.948 35.948 37.914 -1.966 18905 419 1 1 . 1 1 85 85 ILE H H 85 7.650 7.650 7.437 0.213 18905 420 1 1 . 1 1 86 86 LEU N N 86 116.537 116.537 117.376 -0.839 18905 421 1 1 . 1 1 86 86 LEU HA H 86 3.757 3.757 4.040 -0.282 18905 422 1 1 . 1 1 86 86 LEU C C 86 177.610 177.610 179.311 -1.701 18905 423 1 1 . 1 1 86 86 LEU CA C 86 54.521 54.521 57.061 -2.540 18905 424 1 1 . 1 1 86 86 LEU CB C 86 39.226 39.226 40.893 -1.667 18905 425 1 1 . 1 1 86 86 LEU H H 86 8.410 8.410 7.980 0.430 18905 426 1 1 . 1 1 87 87 GLN N N 87 115.959 115.959 117.523 -1.564 18905 427 1 1 . 1 1 87 87 GLN HA H 87 4.009 4.009 4.111 -0.102 18905 428 1 1 . 1 1 87 87 GLN C C 87 174.156 174.156 177.008 -2.852 18905 429 1 1 . 1 1 87 87 GLN CA C 87 55.735 55.735 57.956 -2.221 18905 430 1 1 . 1 1 87 87 GLN CB C 87 25.516 25.516 28.292 -2.776 18905 431 1 1 . 1 1 87 87 GLN H H 87 8.406 8.406 7.860 0.546 18905 432 1 1 . 1 1 88 88 ALA N N 88 120.044 120.044 119.857 0.187 18905 433 1 1 . 1 1 88 88 ALA HA H 88 4.338 4.338 4.513 -0.175 18905 434 1 1 . 1 1 88 88 ALA C C 88 174.373 174.373 176.702 -2.329 18905 435 1 1 . 1 1 88 88 ALA CA C 88 48.933 48.933 52.232 -3.299 18905 436 1 1 . 1 1 88 88 ALA CB C 88 16.681 16.681 20.360 -3.679 18905 437 1 1 . 1 1 88 88 ALA H H 88 7.110 7.110 7.698 -0.588 18905 438 1 1 . 1 1 89 89 LEU N N 89 119.696 119.696 119.120 0.576 18905 439 1 1 . 1 1 89 89 LEU HA H 89 3.929 3.929 4.622 -0.693 18905 440 1 1 . 1 1 89 89 LEU C C 89 175.387 175.387 175.060 0.327 18905 441 1 1 . 1 1 89 89 LEU CA C 89 53.364 53.364 54.619 -1.255 18905 442 1 1 . 1 1 89 89 LEU CB C 89 39.775 39.775 44.600 -4.825 18905 443 1 1 . 1 1 89 89 LEU H H 89 6.693 6.693 7.372 -0.679 18905 444 1 1 . 1 1 90 90 HIS N N 90 120.136 120.136 115.852 4.284 18905 445 1 1 . 1 1 90 90 HIS HA H 90 4.419 4.419 4.992 -0.573 18905 446 1 1 . 1 1 90 90 HIS CA C 90 50.226 50.226 53.254 -3.028 18905 447 1 1 . 1 1 90 90 HIS CB C 90 27.853 27.853 30.618 -2.765 18905 448 1 1 . 1 1 90 90 HIS H H 90 8.299 8.299 7.916 0.383 18905 449 1 1 . 1 1 91 91 PRO HA H 91 4.367 4.367 4.843 -0.476 18905 450 1 1 . 1 1 91 91 PRO CA C 91 60.550 60.550 61.536 -0.986 18905 451 1 1 . 1 1 91 91 PRO CB C 91 29.416 29.416 31.905 -2.489 18905 452 1 1 . 1 1 92 92 PRO HA H 92 4.815 4.815 4.395 0.420 18905 453 1 1 . 1 1 92 92 PRO CA C 92 59.812 59.812 63.793 -3.981 18905 454 1 1 . 1 1 92 92 PRO CB C 92 30.119 30.119 31.914 -1.795 18905 455 1 1 . 1 1 93 93 LEU N N 93 121.469 121.469 122.214 -0.745 18905 456 1 1 . 1 1 93 93 LEU HA H 93 3.954 3.954 4.506 -0.552 18905 457 1 1 . 1 1 93 93 LEU CA C 93 53.500 53.500 53.756 -0.256 18905 458 1 1 . 1 1 93 93 LEU CB C 93 39.889 39.889 39.940 -0.051 18905 459 1 1 . 1 1 93 93 LEU H H 93 8.404 8.404 7.963 0.441 18905 460 1 1 . 1 1 94 94 THR HA H 94 5.276 5.276 4.452 0.824 18905 461 1 1 . 1 1 94 94 THR CA C 94 57.077 57.077 62.551 -5.474 18905 462 1 1 . 1 1 94 94 THR CB C 94 69.076 69.076 67.113 1.963 18905 463 1 1 . 1 1 95 95 ILE N N 95 121.239 121.239 125.655 -4.416 18905 464 1 1 . 1 1 95 95 ILE HA H 95 4.184 4.184 3.903 0.281 18905 465 1 1 . 1 1 95 95 ILE CA C 95 58.054 58.054 62.428 -4.375 18905 466 1 1 . 1 1 95 95 ILE CB C 95 37.534 37.534 38.944 -1.410 18905 467 1 1 . 1 1 95 95 ILE H H 95 8.317 8.317 7.929 0.388 18905 468 1 1 . 1 1 96 96 ASP N N 96 130.909 130.909 127.497 3.412 18905 469 1 1 . 1 1 96 96 ASP HA H 96 4.292 4.292 4.235 0.057 18905 470 1 1 . 1 1 96 96 ASP CA C 96 53.001 53.001 54.926 -1.925 18905 471 1 1 . 1 1 96 96 ASP CB C 96 37.114 37.114 40.105 -2.991 18905 472 1 1 . 1 1 96 96 ASP H H 96 9.837 9.837 9.025 0.812 18905 473 1 1 . 1 1 97 97 GLY N N 97 102.578 102.578 103.107 -0.529 18905 474 1 1 . 1 1 97 97 GLY C C 97 170.992 170.992 174.433 -3.441 18905 475 1 1 . 1 1 97 97 GLY CA C 97 42.754 42.754 45.668 -2.914 18905 476 1 1 . 1 1 97 97 GLY H H 97 8.638 8.638 8.053 0.585 18905 477 1 1 . 1 1 98 98 LYS N N 98 120.330 120.330 122.206 -1.876 18905 478 1 1 . 1 1 98 98 LYS HA H 98 4.629 4.629 4.507 0.122 18905 479 1 1 . 1 1 98 98 LYS C C 98 172.675 172.675 176.566 -3.891 18905 480 1 1 . 1 1 98 98 LYS CA C 98 50.304 50.304 54.852 -4.548 18905 481 1 1 . 1 1 98 98 LYS CB C 98 31.136 31.136 30.862 0.274 18905 482 1 1 . 1 1 98 98 LYS H H 98 7.440 7.440 8.152 -0.712 18905 483 1 1 . 1 1 99 99 THR N N 99 119.612 119.612 114.310 5.302 18905 484 1 1 . 1 1 99 99 THR HA H 99 4.356 4.356 4.357 -0.001 18905 485 1 1 . 1 1 99 99 THR C C 99 171.511 171.511 173.488 -1.977 18905 486 1 1 . 1 1 99 99 THR CA C 99 60.382 60.382 61.280 -0.898 18905 487 1 1 . 1 1 99 99 THR CB C 99 65.967 65.967 69.834 -3.866 18905 488 1 1 . 1 1 99 99 THR H H 99 8.626 8.626 7.960 0.666 18905 489 1 1 . 1 1 100 100 ILE N N 100 129.389 129.389 118.887 10.502 18905 490 1 1 . 1 1 100 100 ILE HA H 100 4.358 4.358 4.363 -0.005 18905 491 1 1 . 1 1 100 100 ILE C C 100 172.710 172.710 174.878 -2.168 18905 492 1 1 . 1 1 100 100 ILE CA C 100 55.202 55.202 59.494 -4.292 18905 493 1 1 . 1 1 100 100 ILE CB C 100 34.925 34.925 38.955 -4.030 18905 494 1 1 . 1 1 100 100 ILE H H 100 8.463 8.463 8.445 0.018 18905 495 1 1 . 1 1 101 101 ASN N N 101 123.767 123.767 125.148 -1.381 18905 496 1 1 . 1 1 101 101 ASN HA H 101 4.904 4.904 4.700 0.204 18905 497 1 1 . 1 1 101 101 ASN C C 101 170.860 170.860 174.550 -3.690 18905 498 1 1 . 1 1 101 101 ASN CA C 101 49.884 49.884 52.857 -2.973 18905 499 1 1 . 1 1 101 101 ASN CB C 101 38.364 38.364 39.669 -1.305 18905 500 1 1 . 1 1 101 101 ASN H H 101 7.878 7.878 8.165 -0.287 18905 501 1 1 . 1 1 102 102 VAL N N 102 122.207 122.207 118.285 3.922 18905 502 1 1 . 1 1 102 102 VAL HA H 102 4.933 4.933 4.329 0.604 18905 503 1 1 . 1 1 102 102 VAL C C 102 175.222 175.222 173.782 1.440 18905 504 1 1 . 1 1 102 102 VAL CA C 102 57.981 57.981 60.646 -2.665 18905 505 1 1 . 1 1 102 102 VAL CB C 102 31.183 31.183 34.233 -3.050 18905 506 1 1 . 1 1 102 102 VAL H H 102 8.503 8.503 8.362 0.141 18905 507 1 1 . 1 1 103 103 GLU N N 103 124.079 124.079 125.597 -1.518 18905 508 1 1 . 1 1 103 103 GLU HA H 103 4.557 4.557 4.692 -0.135 18905 509 1 1 . 1 1 103 103 GLU CA C 103 51.772 51.772 54.880 -3.108 18905 510 1 1 . 1 1 103 103 GLU CB C 103 31.226 31.226 34.086 -2.860 18905 511 1 1 . 1 1 103 103 GLU H H 103 8.627 8.627 8.352 0.275 18905 512 1 1 . 1 1 104 104 PHE N N 104 121.287 121.287 121.522 -0.235 18905 513 1 1 . 1 1 104 104 PHE HA H 104 5.047 5.047 4.931 0.116 18905 514 1 1 . 1 1 104 104 PHE C C 104 173.023 173.023 174.724 -1.701 18905 515 1 1 . 1 1 104 104 PHE CA C 104 55.305 55.305 55.765 -0.460 18905 516 1 1 . 1 1 104 104 PHE CB C 104 38.342 38.342 41.057 -2.715 18905 517 1 1 . 1 1 104 104 PHE H H 104 8.778 8.778 8.708 0.070 18905 518 1 1 . 1 1 105 105 ALA N N 105 127.703 127.703 133.434 -5.731 18905 519 1 1 . 1 1 105 105 ALA HA H 105 4.278 4.278 4.680 -0.402 18905 520 1 1 . 1 1 105 105 ALA C C 105 172.939 172.939 175.979 -3.040 18905 521 1 1 . 1 1 105 105 ALA CA C 105 48.936 48.936 50.975 -2.039 18905 522 1 1 . 1 1 105 105 ALA CB C 105 17.822 17.822 17.910 -0.088 18905 523 1 1 . 1 1 105 105 ALA H H 105 8.630 8.630 8.907 -0.277 18905 524 1 1 . 1 1 106 106 LYS N N 106 121.259 121.259 119.717 1.542 18905 525 1 1 . 1 1 106 106 LYS HA H 106 4.211 4.211 4.572 -0.361 18905 526 1 1 . 1 1 106 106 LYS C C 106 174.939 174.939 176.261 -1.322 18905 527 1 1 . 1 1 106 106 LYS CA C 106 52.995 52.995 55.672 -2.677 18905 528 1 1 . 1 1 106 106 LYS CB C 106 30.290 30.290 33.123 -2.833 18905 529 1 1 . 1 1 106 106 LYS H H 106 8.289 8.289 7.274 1.015 18905 530 1 1 . 1 1 107 107 GLY N N 107 111.965 111.965 107.277 4.688 18905 531 1 1 . 1 1 107 107 GLY C C 107 171.215 171.215 173.932 -2.717 18905 532 1 1 . 1 1 107 107 GLY CA C 107 42.651 42.651 44.995 -2.344 18905 533 1 1 . 1 1 107 107 GLY H H 107 8.921 8.921 8.314 0.607 18905 534 1 1 . 1 1 108 108 SER N N 108 114.479 114.479 117.246 -2.767 18905 535 1 1 . 1 1 108 108 SER HA H 108 4.294 4.294 4.564 -0.270 18905 536 1 1 . 1 1 108 108 SER C C 108 172.040 172.040 174.200 -2.160 18905 537 1 1 . 1 1 108 108 SER CA C 108 55.336 55.336 58.518 -3.182 18905 538 1 1 . 1 1 108 108 SER H H 108 8.197 8.197 8.398 -0.201 18905 539 1 1 . 1 1 109 109 LYS N N 109 123.374 123.374 120.282 3.092 18905 540 1 1 . 1 1 109 109 LYS HA H 109 4.198 4.198 4.262 -0.064 18905 541 1 1 . 1 1 109 109 LYS C C 109 173.967 173.967 176.374 -2.407 18905 542 1 1 . 1 1 109 109 LYS CA C 109 53.730 53.730 56.119 -2.389 18905 543 1 1 . 1 1 109 109 LYS CB C 109 30.137 30.137 33.433 -3.296 18905 544 1 1 . 1 1 109 109 LYS H H 109 8.306 8.306 8.244 0.062 18905 545 1 1 . 1 1 110 110 ARG N N 110 134.189 134.189 118.587 15.602 18905 546 1 1 . 1 1 110 110 ARG HA H 110 4.542 4.542 4.506 0.036 18905 547 1 1 . 1 1 110 110 ARG C C 110 173.119 173.119 174.852 -1.733 18905 548 1 1 . 1 1 110 110 ARG CA C 110 52.474 52.474 54.986 -2.512 18905 549 1 1 . 1 1 110 110 ARG CB C 110 32.296 32.296 32.073 0.223 18905 550 1 1 . 1 1 111 111 ASP N N 111 123.210 123.210 120.194 3.016 18905 551 1 1 . 1 1 111 111 ASP HA H 111 4.519 4.519 4.884 -0.365 18905 552 1 1 . 1 1 111 111 ASP C C 111 174.187 174.187 175.137 -0.950 18905 553 1 1 . 1 1 111 111 ASP CA C 111 52.307 52.307 53.334 -1.026 18905 554 1 1 . 1 1 111 111 ASP CB C 111 40.206 40.206 43.110 -2.904 18905 555 1 1 . 1 1 111 111 ASP H H 111 8.523 8.523 8.361 0.162 18905 556 1 1 . 1 1 112 112 MET HA H 112 4.330 4.330 4.551 -0.222 18905 557 1 1 . 1 1 112 112 MET CA C 112 53.074 53.074 55.874 -2.800 18905 558 1 1 . 1 1 112 112 MET CB C 112 30.057 30.057 32.819 -2.761 18905 559 1 1 . 1 1 113 113 ALA N N 113 124.061 124.061 126.034 -1.973 18905 560 1 1 . 1 1 113 113 ALA HA H 113 4.229 4.229 4.685 -0.456 18905 561 1 1 . 1 1 113 113 ALA C C 113 175.243 175.243 175.969 -0.726 18905 562 1 1 . 1 1 113 113 ALA CA C 113 49.967 49.967 51.784 -1.817 18905 563 1 1 . 1 1 113 113 ALA CB C 113 16.436 16.436 20.757 -4.321 18905 564 1 1 . 1 1 113 113 ALA H H 113 8.214 8.214 8.388 -0.174 18905 565 1 1 . 1 1 114 114 SER N N 114 114.286 114.286 115.319 -1.033 18905 566 1 1 . 1 1 114 114 SER HA H 114 4.376 4.376 5.025 -0.649 18905 567 1 1 . 1 1 114 114 SER CA C 114 55.596 55.596 57.974 -2.378 18905 568 1 1 . 1 1 114 114 SER CB C 114 61.009 61.009 64.808 -3.799 18905 569 1 1 . 1 1 114 114 SER H H 114 8.124 8.124 9.014 -0.890 18905 570 1 1 . 1 1 119 119 ARG N N 119 122.813 122.813 125.334 -2.521 18905 571 1 1 . 1 1 119 119 ARG HA H 119 4.294 4.294 4.615 -0.321 18905 572 1 1 . 1 1 119 119 ARG C C 119 173.654 173.654 174.301 -0.647 18905 573 1 1 . 1 1 119 119 ARG CA C 119 53.701 53.701 55.867 -2.166 18905 574 1 1 . 1 1 119 119 ARG CB C 119 28.140 28.140 29.521 -1.381 18905 575 1 1 . 1 1 119 119 ARG H H 119 8.246 8.246 8.526 -0.280 18905 576 1 1 . 1 1 120 120 ILE N N 120 121.624 121.624 122.946 -1.322 18905 577 1 1 . 1 1 120 120 ILE HA H 120 4.099 4.099 4.532 -0.433 18905 578 1 1 . 1 1 120 120 ILE C C 120 173.651 173.651 175.494 -1.843 18905 579 1 1 . 1 1 120 120 ILE CA C 120 58.593 58.593 60.386 -1.793 18905 580 1 1 . 1 1 120 120 ILE CB C 120 36.091 36.091 40.252 -4.161 18905 581 1 1 . 1 1 120 120 ILE H H 120 8.084 8.084 8.105 -0.021 18905 582 1 1 . 1 1 121 121 SER N N 121 119.953 119.953 119.595 0.358 18905 583 1 1 . 1 1 121 121 SER HA H 121 4.378 4.378 5.236 -0.858 18905 584 1 1 . 1 1 121 121 SER C C 121 170.780 170.780 172.932 -2.152 18905 585 1 1 . 1 1 121 121 SER CA C 121 55.506 55.506 58.069 -2.563 18905 586 1 1 . 1 1 121 121 SER CB C 121 61.571 61.571 64.272 -2.701 18905 587 1 1 . 1 1 121 121 SER H H 121 8.300 8.300 8.833 -0.533 18905 588 1 1 . 1 1 123 123 ALA N N 123 119.892 119.892 122.708 -2.816 18905 589 1 1 . 1 1 123 123 ALA HA H 123 4.102 4.102 5.098 -0.996 18905 590 1 1 . 1 1 123 123 ALA CA C 123 58.473 58.473 53.360 5.113 18905 591 1 1 . 1 1 123 123 ALA H H 123 8.305 8.305 8.897 -0.592 18905 592 1 1 . 1 1 124 124 SER N N 124 122.264 122.264 114.151 8.113 18905 593 1 1 . 1 1 124 124 SER HA H 124 4.384 4.384 4.828 -0.444 18905 594 1 1 . 1 1 124 124 SER CA C 124 55.632 55.632 57.720 -2.088 18905 595 1 1 . 1 1 124 124 SER CB C 124 60.925 60.925 64.243 -3.318 18905 596 1 1 . 1 1 124 124 SER H H 124 8.353 8.353 8.102 0.251 18905 597 1 1 . 1 1 125 125 VAL N N 125 121.433 121.433 122.429 -0.996 18905 598 1 1 . 1 1 125 125 VAL HA H 125 4.073 4.073 4.338 -0.265 18905 599 1 1 . 1 1 125 125 VAL C C 125 173.240 173.240 174.520 -1.280 18905 600 1 1 . 1 1 125 125 VAL CA C 125 59.588 59.588 62.877 -3.289 18905 601 1 1 . 1 1 125 125 VAL CB C 125 30.198 30.198 32.973 -2.775 18905 602 1 1 . 1 1 125 125 VAL H H 125 8.014 8.014 8.387 -0.373 18905 603 1 1 . 1 1 126 126 ALA N N 126 127.185 127.185 130.042 -2.857 18905 604 1 1 . 1 1 126 126 ALA HA H 126 4.278 4.278 4.703 -0.425 18905 605 1 1 . 1 1 126 126 ALA C C 126 175.118 175.118 176.344 -1.226 18905 606 1 1 . 1 1 126 126 ALA CA C 126 49.919 49.919 52.053 -2.134 18905 607 1 1 . 1 1 126 126 ALA CB C 126 16.532 16.532 20.071 -3.539 18905 608 1 1 . 1 1 126 126 ALA H H 126 8.277 8.277 8.423 -0.146 18905 609 1 1 . 1 1 127 127 SER N N 127 115.148 115.148 115.937 -0.789 18905 610 1 1 . 1 1 127 127 SER HA H 127 4.420 4.420 4.661 -0.241 18905 611 1 1 . 1 1 127 127 SER C C 127 172.168 172.168 174.274 -2.106 18905 612 1 1 . 1 1 127 127 SER CA C 127 55.770 55.770 58.479 -2.709 18905 613 1 1 . 1 1 127 127 SER CB C 127 58.992 58.992 63.747 -4.755 18905 614 1 1 . 1 1 127 127 SER H H 127 8.249 8.249 8.765 -0.516 18905 615 1 1 . 1 1 128 128 THR N N 128 115.498 115.498 114.126 1.372 18905 616 1 1 . 1 1 128 128 THR C C 128 171.392 171.392 172.756 -1.364 18905 617 1 1 . 1 1 128 128 THR CA C 128 59.083 59.083 60.883 -1.800 18905 618 1 1 . 1 1 128 128 THR H H 128 8.050 8.050 8.159 -0.109 18905 619 1 1 . 1 1 129 129 ALA N N 129 126.543 126.543 125.009 1.534 18905 620 1 1 . 1 1 129 129 ALA HA H 129 4.236 4.236 5.120 -0.884 18905 621 1 1 . 1 1 129 129 ALA C C 129 174.650 174.650 175.407 -0.757 18905 622 1 1 . 1 1 129 129 ALA CA C 129 49.794 49.794 51.311 -1.517 18905 623 1 1 . 1 1 129 129 ALA CB C 129 16.538 16.538 20.753 -4.215 18905 624 1 1 . 1 1 129 129 ALA H H 129 8.160 8.160 8.745 -0.585 18905 625 1 1 . 1 1 130 130 ILE N N 130 120.371 120.371 118.138 2.233 18905 626 1 1 . 1 1 130 130 ILE HA H 130 4.099 4.099 4.389 -0.290 18905 627 1 1 . 1 1 130 130 ILE C C 130 173.651 173.651 174.072 -0.421 18905 628 1 1 . 1 1 130 130 ILE CA C 130 58.513 58.513 60.767 -2.254 18905 629 1 1 . 1 1 130 130 ILE CB C 130 36.091 36.091 39.956 -3.865 18905 630 1 1 . 1 1 130 130 ILE H H 130 8.043 8.043 8.250 -0.207 18905 631 1 2 . 1 1 4 4 GLY N N 4 110.117 110.117 109.834 0.283 18905 632 1 2 . 1 1 4 4 GLY C C 4 171.413 171.413 173.592 -2.179 18905 633 1 2 . 1 1 4 4 GLY CA C 4 42.667 42.667 44.865 -2.198 18905 634 1 2 . 1 1 4 4 GLY H H 4 8.391 8.391 8.512 -0.121 18905 635 1 2 . 1 1 5 5 VAL N N 5 119.501 119.501 126.127 -6.626 18905 636 1 2 . 1 1 5 5 VAL HA H 5 4.018 4.018 4.275 -0.257 18905 637 1 2 . 1 1 5 5 VAL C C 5 173.738 173.738 174.495 -0.757 18905 638 1 2 . 1 1 5 5 VAL CA C 5 59.923 59.923 62.191 -2.268 18905 639 1 2 . 1 1 5 5 VAL CB C 5 30.111 30.111 31.622 -1.511 18905 640 1 2 . 1 1 5 5 VAL H H 5 7.951 7.951 8.246 -0.295 18905 641 1 2 . 1 1 6 6 LEU N N 6 125.484 125.484 121.875 3.609 18905 642 1 2 . 1 1 6 6 LEU HA H 6 4.280 4.280 4.908 -0.628 18905 643 1 2 . 1 1 6 6 LEU C C 6 174.708 174.708 175.315 -0.607 18905 644 1 2 . 1 1 6 6 LEU CA C 6 52.535 52.535 55.147 -2.612 18905 645 1 2 . 1 1 6 6 LEU CB C 6 39.586 39.586 43.782 -4.196 18905 646 1 2 . 1 1 6 6 LEU H H 6 8.248 8.248 7.940 0.308 18905 647 1 2 . 1 1 7 7 ALA N N 7 124.939 124.939 124.149 0.790 18905 648 1 2 . 1 1 7 7 ALA HA H 7 4.234 4.234 4.670 -0.436 18905 649 1 2 . 1 1 7 7 ALA C C 7 174.865 174.865 176.468 -1.603 18905 650 1 2 . 1 1 7 7 ALA CA C 7 50.136 50.136 51.561 -1.425 18905 651 1 2 . 1 1 7 7 ALA CB C 7 16.500 16.500 20.145 -3.645 18905 652 1 2 . 1 1 7 7 ALA H H 7 8.241 8.241 8.312 -0.071 18905 653 1 2 . 1 1 8 8 SER N N 8 117.901 117.901 113.636 4.265 18905 654 1 2 . 1 1 8 8 SER HA H 8 4.377 4.377 4.726 -0.349 18905 655 1 2 . 1 1 8 8 SER C C 8 172.221 172.221 172.927 -0.706 18905 656 1 2 . 1 1 8 8 SER CA C 8 56.008 56.008 57.781 -1.773 18905 657 1 2 . 1 1 8 8 SER CB C 8 61.008 61.008 64.388 -3.380 18905 658 1 2 . 1 1 8 8 SER H H 8 8.347 8.347 8.014 0.333 18905 659 1 2 . 1 1 9 9 GLN N N 9 122.019 122.019 123.027 -1.008 18905 660 1 2 . 1 1 9 9 GLN HA H 9 4.302 4.302 4.611 -0.309 18905 661 1 2 . 1 1 9 9 GLN C C 9 173.160 173.160 173.975 -0.815 18905 662 1 2 . 1 1 9 9 GLN CA C 9 53.470 53.470 54.932 -1.462 18905 663 1 2 . 1 1 9 9 GLN CB C 9 26.663 26.663 30.385 -3.722 18905 664 1 2 . 1 1 9 9 GLN H H 9 8.240 8.240 8.521 -0.281 18905 665 1 2 . 1 1 10 10 ALA N N 10 124.490 124.490 125.962 -1.472 18905 666 1 2 . 1 1 10 10 ALA HA H 10 4.238 4.238 4.357 -0.119 18905 667 1 2 . 1 1 10 10 ALA C C 10 175.142 175.142 176.943 -1.801 18905 668 1 2 . 1 1 10 10 ALA CA C 10 50.121 50.121 52.461 -2.340 18905 669 1 2 . 1 1 10 10 ALA CB C 10 16.322 16.322 19.198 -2.876 18905 670 1 2 . 1 1 10 10 ALA H H 10 8.132 8.132 8.389 -0.257 18905 671 1 2 . 1 1 11 11 LEU N N 11 120.785 120.785 119.106 1.679 18905 672 1 2 . 1 1 11 11 LEU HA H 11 4.278 4.278 4.698 -0.420 18905 673 1 2 . 1 1 11 11 LEU C C 11 174.929 174.929 176.890 -1.961 18905 674 1 2 . 1 1 11 11 LEU CA C 11 52.612 52.612 54.765 -2.153 18905 675 1 2 . 1 1 11 11 LEU CB C 11 39.647 39.647 42.737 -3.090 18905 676 1 2 . 1 1 11 11 LEU H H 11 8.088 8.088 7.957 0.131 18905 677 1 2 . 1 1 12 12 SER N N 12 116.121 116.121 119.957 -3.836 18905 678 1 2 . 1 1 12 12 SER C C 12 171.977 171.977 174.851 -2.874 18905 679 1 2 . 1 1 12 12 SER CA C 12 55.621 55.621 59.250 -3.629 18905 680 1 2 . 1 1 12 12 SER CB C 12 56.041 56.041 63.430 -7.389 18905 681 1 2 . 1 1 12 12 SER H H 12 8.170 8.170 9.031 -0.861 18905 682 1 2 . 1 1 13 13 GLN N N 13 122.139 122.139 121.282 0.857 18905 683 1 2 . 1 1 13 13 GLN HA H 13 4.312 4.312 4.633 -0.321 18905 684 1 2 . 1 1 13 13 GLN CA C 13 54.059 54.059 54.915 -0.856 18905 685 1 2 . 1 1 13 13 GLN H H 13 8.368 8.368 7.808 0.560 18905 686 1 2 . 1 1 14 14 GLY N N 14 109.259 109.259 109.772 -0.513 18905 687 1 2 . 1 1 14 14 GLY CA C 14 42.970 42.970 44.941 -1.971 18905 688 1 2 . 1 1 14 14 GLY H H 14 8.378 8.378 8.606 -0.228 18905 689 1 2 . 1 1 15 15 SER N N 15 115.486 115.486 116.112 -0.626 18905 690 1 2 . 1 1 15 15 SER HA H 15 4.378 4.378 4.785 -0.407 18905 691 1 2 . 1 1 15 15 SER CA C 15 55.853 55.853 57.468 -1.615 18905 692 1 2 . 1 1 15 15 SER CB C 15 59.406 59.406 65.527 -6.121 18905 693 1 2 . 1 1 15 15 SER H H 15 8.085 8.085 8.012 0.073 18905 694 1 2 . 1 1 16 16 GLU N N 16 120.501 120.501 120.891 -0.390 18905 695 1 2 . 1 1 16 16 GLU HA H 16 4.664 4.664 4.728 -0.064 18905 696 1 2 . 1 1 16 16 GLU CA C 16 50.628 50.628 53.490 -2.862 18905 697 1 2 . 1 1 16 16 GLU CB C 16 36.442 36.442 29.868 6.574 18905 698 1 2 . 1 1 16 16 GLU H H 16 8.376 8.376 8.380 -0.004 18905 699 1 2 . 1 1 17 17 PRO CA C 17 65.700 65.700 62.929 2.771 18905 700 1 2 . 1 1 22 22 ALA N N 22 124.130 124.130 121.479 2.651 18905 701 1 2 . 1 1 22 22 ALA HA H 22 4.178 4.178 4.590 -0.412 18905 702 1 2 . 1 1 22 22 ALA CA C 22 49.746 49.746 51.776 -2.030 18905 703 1 2 . 1 1 22 22 ALA CB C 22 16.789 16.789 19.605 -2.816 18905 704 1 2 . 1 1 22 22 ALA H H 22 8.096 8.096 7.731 0.365 18905 705 1 2 . 1 1 23 23 ASN N N 23 117.516 117.516 120.000 -2.484 18905 706 1 2 . 1 1 23 23 ASN HA H 23 4.672 4.672 4.803 -0.131 18905 707 1 2 . 1 1 23 23 ASN C C 23 171.179 171.179 172.904 -1.725 18905 708 1 2 . 1 1 23 23 ASN CA C 23 50.084 50.084 53.140 -3.056 18905 709 1 2 . 1 1 23 23 ASN CB C 23 36.737 36.737 40.420 -3.683 18905 710 1 2 . 1 1 23 23 ASN H H 23 8.037 8.037 8.157 -0.120 18905 711 1 2 . 1 1 24 24 ASP N N 24 118.387 118.387 121.878 -3.491 18905 712 1 2 . 1 1 24 24 ASP HA H 24 4.676 4.676 4.895 -0.219 18905 713 1 2 . 1 1 24 24 ASP CA C 24 50.660 50.660 54.434 -3.774 18905 714 1 2 . 1 1 24 24 ASP CB C 24 40.670 40.670 43.142 -2.472 18905 715 1 2 . 1 1 24 24 ASP H H 24 8.198 8.198 8.441 -0.243 18905 716 1 2 . 1 1 25 25 THR N N 25 114.224 114.224 115.878 -1.654 18905 717 1 2 . 1 1 25 25 THR HA H 25 5.275 5.275 4.815 0.460 18905 718 1 2 . 1 1 25 25 THR CA C 25 59.162 59.162 62.250 -3.088 18905 719 1 2 . 1 1 25 25 THR CB C 25 68.849 68.849 71.984 -3.135 18905 720 1 2 . 1 1 25 25 THR H H 25 8.090 8.090 8.128 -0.038 18905 721 1 2 . 1 1 26 26 ILE N N 26 126.637 126.637 124.813 1.824 18905 722 1 2 . 1 1 26 26 ILE HA H 26 4.650 4.650 4.499 0.151 18905 723 1 2 . 1 1 26 26 ILE C C 26 171.500 171.500 173.944 -2.444 18905 724 1 2 . 1 1 26 26 ILE CA C 26 56.930 56.930 59.536 -2.606 18905 725 1 2 . 1 1 26 26 ILE CB C 26 38.159 38.159 39.316 -1.157 18905 726 1 2 . 1 1 26 26 ILE H H 26 9.314 9.314 8.889 0.425 18905 727 1 2 . 1 1 27 27 ILE N N 27 126.764 126.764 122.960 3.804 18905 728 1 2 . 1 1 27 27 ILE HA H 27 4.955 4.955 4.797 0.158 18905 729 1 2 . 1 1 27 27 ILE C C 27 171.462 171.462 174.448 -2.986 18905 730 1 2 . 1 1 27 27 ILE CA C 27 56.909 56.909 59.305 -2.396 18905 731 1 2 . 1 1 27 27 ILE CB C 27 38.397 38.397 42.110 -3.713 18905 732 1 2 . 1 1 27 27 ILE H H 27 9.280 9.280 8.296 0.984 18905 733 1 2 . 1 1 28 28 LEU N N 28 125.666 125.666 125.891 -0.225 18905 734 1 2 . 1 1 28 28 LEU HA H 28 4.858 4.858 4.744 0.114 18905 735 1 2 . 1 1 28 28 LEU C C 28 172.714 172.714 176.027 -3.313 18905 736 1 2 . 1 1 28 28 LEU CA C 28 50.153 50.153 53.371 -3.218 18905 737 1 2 . 1 1 28 28 LEU CB C 28 39.943 39.943 43.783 -3.840 18905 738 1 2 . 1 1 28 28 LEU H H 28 8.791 8.791 8.813 -0.022 18905 739 1 2 . 1 1 29 29 ARG N N 29 119.656 119.656 118.945 0.711 18905 740 1 2 . 1 1 29 29 ARG HA H 29 5.023 5.023 4.906 0.117 18905 741 1 2 . 1 1 29 29 ARG C C 29 172.927 172.927 175.973 -3.046 18905 742 1 2 . 1 1 29 29 ARG CA C 29 51.933 51.933 54.743 -2.810 18905 743 1 2 . 1 1 29 29 ARG CB C 29 31.298 31.298 34.189 -2.891 18905 744 1 2 . 1 1 29 29 ARG H H 29 8.742 8.742 8.586 0.156 18905 745 1 2 . 1 1 30 30 ASN N N 30 115.104 115.104 117.750 -2.646 18905 746 1 2 . 1 1 30 30 ASN HA H 30 4.319 4.319 4.367 -0.048 18905 747 1 2 . 1 1 30 30 ASN C C 30 172.025 172.025 173.351 -1.326 18905 748 1 2 . 1 1 30 30 ASN CA C 30 51.550 51.550 53.789 -2.239 18905 749 1 2 . 1 1 30 30 ASN CB C 30 35.656 35.656 37.843 -2.188 18905 750 1 2 . 1 1 30 30 ASN H H 30 8.292 8.292 8.766 -0.474 18905 751 1 2 . 1 1 31 31 LEU N N 31 113.394 113.394 119.820 -6.426 18905 752 1 2 . 1 1 31 31 LEU HA H 31 3.915 3.915 4.584 -0.669 18905 753 1 2 . 1 1 31 31 LEU C C 31 175.815 175.815 176.039 -0.224 18905 754 1 2 . 1 1 31 31 LEU CA C 31 52.148 52.148 53.566 -1.418 18905 755 1 2 . 1 1 31 31 LEU CB C 31 39.876 39.876 45.097 -5.221 18905 756 1 2 . 1 1 31 31 LEU H H 31 7.602 7.602 7.428 0.174 18905 757 1 2 . 1 1 32 32 ASN N N 32 123.357 123.357 124.268 -0.911 18905 758 1 2 . 1 1 32 32 ASN HA H 32 4.476 4.476 4.873 -0.397 18905 759 1 2 . 1 1 32 32 ASN CA C 32 48.784 48.784 52.026 -3.242 18905 760 1 2 . 1 1 32 32 ASN CB C 32 36.284 36.284 38.868 -2.584 18905 761 1 2 . 1 1 32 32 ASN H H 32 9.816 9.816 8.177 1.639 18905 762 1 2 . 1 1 33 33 PRO HA H 33 4.339 4.339 4.341 -0.002 18905 763 1 2 . 1 1 33 33 PRO CA C 33 61.514 61.514 65.362 -3.848 18905 764 1 2 . 1 1 33 33 PRO CB C 33 30.320 30.320 32.042 -1.722 18905 765 1 2 . 1 1 34 34 HIS N N 34 111.187 111.187 114.239 -3.052 18905 766 1 2 . 1 1 34 34 HIS HA H 34 4.402 4.402 4.674 -0.272 18905 767 1 2 . 1 1 34 34 HIS CA C 34 53.125 53.125 55.294 -2.169 18905 768 1 2 . 1 1 34 34 HIS CB C 34 25.760 25.760 30.108 -4.348 18905 769 1 2 . 1 1 34 34 HIS H H 34 8.856 8.856 8.629 0.227 18905 770 1 2 . 1 1 35 35 SER N N 35 118.219 118.219 116.588 1.631 18905 771 1 2 . 1 1 35 35 SER HA H 35 4.718 4.718 4.318 0.400 18905 772 1 2 . 1 1 35 35 SER CB C 35 60.222 60.222 63.813 -3.591 18905 773 1 2 . 1 1 35 35 SER H H 35 8.262 8.262 7.884 0.378 18905 774 1 2 . 1 1 36 36 THR N N 36 114.157 114.157 112.967 1.190 18905 775 1 2 . 1 1 36 36 THR HA H 36 4.545 4.545 4.777 -0.232 18905 776 1 2 . 1 1 36 36 THR CA C 36 56.508 56.508 59.614 -3.106 18905 777 1 2 . 1 1 36 36 THR CB C 36 70.051 70.051 71.237 -1.186 18905 778 1 2 . 1 1 36 36 THR H H 36 8.451 8.451 8.426 0.025 18905 779 1 2 . 1 1 37 37 MET N N 37 119.815 119.815 119.222 0.593 18905 780 1 2 . 1 1 37 37 MET HA H 37 3.943 3.943 4.349 -0.406 18905 781 1 2 . 1 1 37 37 MET CA C 37 56.204 56.204 58.344 -2.140 18905 782 1 2 . 1 1 37 37 MET CB C 37 28.959 28.959 32.218 -3.259 18905 783 1 2 . 1 1 37 37 MET H H 37 8.928 8.928 8.546 0.382 18905 784 1 2 . 1 1 38 38 ASP N N 38 115.357 115.357 119.981 -4.624 18905 785 1 2 . 1 1 38 38 ASP HA H 38 4.301 4.301 4.371 -0.070 18905 786 1 2 . 1 1 38 38 ASP CA C 38 54.750 54.750 57.831 -3.081 18905 787 1 2 . 1 1 38 38 ASP CB C 38 37.934 37.934 40.552 -2.618 18905 788 1 2 . 1 1 38 38 ASP H H 38 8.096 8.096 8.705 -0.609 18905 789 1 2 . 1 1 39 39 SER N N 39 118.933 118.933 115.403 3.530 18905 790 1 2 . 1 1 39 39 SER HA H 39 4.253 4.253 4.133 0.120 18905 791 1 2 . 1 1 39 39 SER C C 39 174.818 174.818 176.536 -1.718 18905 792 1 2 . 1 1 39 39 SER CA C 39 58.767 58.767 61.554 -2.787 18905 793 1 2 . 1 1 39 39 SER CB C 39 61.631 61.631 63.104 -1.473 18905 794 1 2 . 1 1 39 39 SER H H 39 8.088 8.088 7.822 0.266 18905 795 1 2 . 1 1 40 40 ILE N N 40 124.376 124.376 120.773 3.603 18905 796 1 2 . 1 1 40 40 ILE HA H 40 3.538 3.538 3.892 -0.354 18905 797 1 2 . 1 1 40 40 ILE C C 40 174.358 174.358 176.883 -2.525 18905 798 1 2 . 1 1 40 40 ILE CA C 40 62.936 62.936 64.121 -1.185 18905 799 1 2 . 1 1 40 40 ILE CB C 40 35.725 35.725 38.201 -2.476 18905 800 1 2 . 1 1 40 40 ILE H H 40 8.009 8.009 7.818 0.191 18905 801 1 2 . 1 1 41 41 LEU N N 41 117.914 117.914 121.162 -3.248 18905 802 1 2 . 1 1 41 41 LEU HA H 41 3.818 3.818 3.829 -0.011 18905 803 1 2 . 1 1 41 41 LEU C C 41 178.292 178.292 179.445 -1.153 18905 804 1 2 . 1 1 41 41 LEU CA C 41 55.496 55.496 58.254 -2.758 18905 805 1 2 . 1 1 41 41 LEU CB C 41 38.574 38.574 41.394 -2.820 18905 806 1 2 . 1 1 41 41 LEU H H 41 8.574 8.574 7.578 0.996 18905 807 1 2 . 1 1 42 42 GLY N N 42 105.053 105.053 104.523 0.530 18905 808 1 2 . 1 1 42 42 GLY C C 42 173.318 173.318 175.038 -1.720 18905 809 1 2 . 1 1 42 42 GLY CA C 42 44.283 44.283 46.532 -2.249 18905 810 1 2 . 1 1 42 42 GLY H H 42 8.207 8.207 8.422 -0.215 18905 811 1 2 . 1 1 43 43 ALA N N 43 122.411 122.411 123.492 -1.081 18905 812 1 2 . 1 1 43 43 ALA HA H 43 4.245 4.245 4.302 -0.057 18905 813 1 2 . 1 1 43 43 ALA C C 43 176.200 176.200 178.504 -2.304 18905 814 1 2 . 1 1 43 43 ALA CA C 43 51.148 51.148 53.852 -2.704 18905 815 1 2 . 1 1 43 43 ALA CB C 43 17.381 17.381 19.602 -2.221 18905 816 1 2 . 1 1 43 43 ALA H H 43 7.571 7.571 7.384 0.187 18905 817 1 2 . 1 1 44 44 LEU N N 44 113.121 113.121 116.722 -3.601 18905 818 1 2 . 1 1 44 44 LEU HA H 44 4.514 4.514 4.770 -0.256 18905 819 1 2 . 1 1 44 44 LEU C C 44 174.187 174.187 177.768 -3.581 18905 820 1 2 . 1 1 44 44 LEU CA C 44 52.247 52.247 54.324 -2.077 18905 821 1 2 . 1 1 44 44 LEU CB C 44 40.210 40.210 42.563 -2.353 18905 822 1 2 . 1 1 44 44 LEU H H 44 7.533 7.533 8.009 -0.476 18905 823 1 2 . 1 1 45 45 ALA N N 45 123.574 123.574 123.704 -0.130 18905 824 1 2 . 1 1 45 45 ALA HA H 45 4.313 4.313 4.091 0.222 18905 825 1 2 . 1 1 45 45 ALA CA C 45 53.187 53.187 56.246 -3.059 18905 826 1 2 . 1 1 45 45 ALA CB C 45 14.134 14.134 16.425 -2.291 18905 827 1 2 . 1 1 45 45 ALA H H 45 7.398 7.398 7.786 -0.388 18905 828 1 2 . 1 1 46 46 PRO HA H 46 4.043 4.043 4.150 -0.107 18905 829 1 2 . 1 1 46 46 PRO CA C 46 61.784 61.784 64.883 -3.099 18905 830 1 2 . 1 1 46 46 PRO CB C 46 27.999 27.999 31.076 -3.077 18905 831 1 2 . 1 1 47 47 TYR N N 47 114.404 114.404 116.461 -2.057 18905 832 1 2 . 1 1 47 47 TYR HA H 47 4.527 4.527 4.544 -0.017 18905 833 1 2 . 1 1 47 47 TYR CA C 47 54.406 54.406 56.824 -2.418 18905 834 1 2 . 1 1 47 47 TYR CB C 47 37.537 37.537 37.808 -0.271 18905 835 1 2 . 1 1 47 47 TYR H H 47 7.897 7.897 6.954 0.943 18905 836 1 2 . 1 1 48 48 ALA N N 48 119.845 119.845 118.763 1.082 18905 837 1 2 . 1 1 48 48 ALA HA H 48 4.360 4.360 4.625 -0.265 18905 838 1 2 . 1 1 48 48 ALA C C 48 171.938 171.938 175.534 -3.596 18905 839 1 2 . 1 1 48 48 ALA CA C 48 49.129 49.129 51.934 -2.805 18905 840 1 2 . 1 1 48 48 ALA CB C 48 19.614 19.614 21.337 -1.723 18905 841 1 2 . 1 1 48 48 ALA H H 48 8.083 8.083 7.181 0.902 18905 842 1 2 . 1 1 49 49 VAL N N 49 122.528 122.528 125.340 -2.812 18905 843 1 2 . 1 1 49 49 VAL HA H 49 3.904 3.904 4.089 -0.185 18905 844 1 2 . 1 1 49 49 VAL C C 49 172.490 172.490 175.540 -3.050 18905 845 1 2 . 1 1 49 49 VAL CA C 49 60.373 60.373 63.255 -2.882 18905 846 1 2 . 1 1 49 49 VAL CB C 49 28.257 28.257 30.728 -2.471 18905 847 1 2 . 1 1 49 49 VAL H H 49 8.414 8.414 8.604 -0.190 18905 848 1 2 . 1 1 50 50 LEU N N 50 127.924 127.924 125.716 2.208 18905 849 1 2 . 1 1 50 50 LEU HA H 50 4.650 4.650 4.856 -0.206 18905 850 1 2 . 1 1 50 50 LEU C C 50 172.488 172.488 175.162 -2.674 18905 851 1 2 . 1 1 50 50 LEU CA C 50 50.523 50.523 53.346 -2.823 18905 852 1 2 . 1 1 50 50 LEU CB C 50 42.647 42.647 43.916 -1.269 18905 853 1 2 . 1 1 50 50 LEU H H 50 7.904 7.904 8.085 -0.181 18905 854 1 2 . 1 1 51 51 SER N N 51 114.999 114.999 113.497 1.502 18905 855 1 2 . 1 1 51 51 SER HA H 51 4.783 4.783 4.814 -0.031 18905 856 1 2 . 1 1 51 51 SER C C 51 172.827 172.827 174.934 -2.107 18905 857 1 2 . 1 1 51 51 SER CA C 51 53.708 53.708 57.039 -3.331 18905 858 1 2 . 1 1 51 51 SER CB C 51 63.424 63.424 65.479 -2.055 18905 859 1 2 . 1 1 51 51 SER H H 51 8.623 8.623 8.557 0.066 18905 860 1 2 . 1 1 52 52 SER N N 52 118.355 118.355 114.764 3.591 18905 861 1 2 . 1 1 52 52 SER HA H 52 4.301 4.301 4.244 0.057 18905 862 1 2 . 1 1 52 52 SER C C 52 173.242 173.242 175.550 -2.308 18905 863 1 2 . 1 1 52 52 SER CA C 52 58.709 58.709 60.420 -1.711 18905 864 1 2 . 1 1 52 52 SER CB C 52 59.826 59.826 62.535 -2.709 18905 865 1 2 . 1 1 52 52 SER H H 52 9.117 9.117 8.633 0.484 18905 866 1 2 . 1 1 53 53 SER N N 53 114.926 114.926 117.644 -2.718 18905 867 1 2 . 1 1 53 53 SER HA H 53 4.292 4.292 4.270 0.022 18905 868 1 2 . 1 1 53 53 SER CA C 53 57.882 57.882 60.499 -2.617 18905 869 1 2 . 1 1 53 53 SER CB C 53 60.220 60.220 63.326 -3.106 18905 870 1 2 . 1 1 53 53 SER H H 53 8.014 8.014 7.799 0.215 18905 871 1 2 . 1 1 54 54 ASN N N 54 116.432 116.432 118.606 -2.174 18905 872 1 2 . 1 1 54 54 ASN HA H 54 4.914 4.914 4.687 0.227 18905 873 1 2 . 1 1 54 54 ASN C C 54 170.744 170.744 175.005 -4.261 18905 874 1 2 . 1 1 54 54 ASN CA C 54 52.054 52.054 55.073 -3.019 18905 875 1 2 . 1 1 54 54 ASN CB C 54 38.952 38.952 39.199 -0.247 18905 876 1 2 . 1 1 54 54 ASN H H 54 7.996 7.996 7.769 0.227 18905 877 1 2 . 1 1 55 55 VAL N N 55 118.877 118.877 119.691 -0.814 18905 878 1 2 . 1 1 55 55 VAL HA H 55 4.891 4.891 4.654 0.237 18905 879 1 2 . 1 1 55 55 VAL C C 55 171.238 171.238 175.041 -3.803 18905 880 1 2 . 1 1 55 55 VAL CA C 55 58.709 58.709 61.470 -2.761 18905 881 1 2 . 1 1 55 55 VAL CB C 55 31.652 31.652 32.658 -1.006 18905 882 1 2 . 1 1 55 55 VAL H H 55 7.421 7.421 7.236 0.185 18905 883 1 2 . 1 1 56 56 ARG N N 56 125.757 125.757 129.043 -3.286 18905 884 1 2 . 1 1 56 56 ARG HA H 56 4.708 4.708 4.641 0.067 18905 885 1 2 . 1 1 56 56 ARG C C 56 172.321 172.321 174.665 -2.344 18905 886 1 2 . 1 1 56 56 ARG CA C 56 51.878 51.878 54.108 -2.230 18905 887 1 2 . 1 1 56 56 ARG CB C 56 30.211 30.211 32.663 -2.452 18905 888 1 2 . 1 1 56 56 ARG H H 56 9.011 9.011 9.026 -0.015 18905 889 1 2 . 1 1 57 57 VAL N N 57 125.646 125.646 127.831 -2.185 18905 890 1 2 . 1 1 57 57 VAL HA H 57 3.878 3.878 3.874 0.004 18905 891 1 2 . 1 1 57 57 VAL C C 57 172.129 172.129 175.309 -3.180 18905 892 1 2 . 1 1 57 57 VAL CA C 57 59.043 59.043 62.410 -3.367 18905 893 1 2 . 1 1 57 57 VAL CB C 57 30.019 30.019 30.986 -0.967 18905 894 1 2 . 1 1 57 57 VAL H H 57 8.794 8.794 8.531 0.263 18905 895 1 2 . 1 1 58 58 ILE N N 58 127.547 127.547 128.728 -1.181 18905 896 1 2 . 1 1 58 58 ILE HA H 58 4.049 4.049 4.045 0.004 18905 897 1 2 . 1 1 58 58 ILE C C 58 172.672 172.672 175.500 -2.828 18905 898 1 2 . 1 1 58 58 ILE CA C 58 57.246 57.246 60.588 -3.342 18905 899 1 2 . 1 1 58 58 ILE CB C 58 32.839 32.839 37.584 -4.745 18905 900 1 2 . 1 1 58 58 ILE H H 58 7.259 7.259 7.638 -0.379 18905 901 1 2 . 1 1 59 59 LYS N N 59 127.231 127.231 123.372 3.859 18905 902 1 2 . 1 1 59 59 LYS HA H 59 4.532 4.532 4.889 -0.357 18905 903 1 2 . 1 1 59 59 LYS C C 59 173.119 173.119 175.723 -2.604 18905 904 1 2 . 1 1 59 59 LYS CA C 59 52.444 52.444 54.559 -2.115 18905 905 1 2 . 1 1 59 59 LYS CB C 59 32.374 32.374 35.372 -2.998 18905 906 1 2 . 1 1 59 59 LYS H H 59 8.571 8.571 8.141 0.430 18905 907 1 2 . 1 1 60 60 ASP N N 60 123.232 123.232 120.464 2.768 18905 908 1 2 . 1 1 60 60 ASP HA H 60 4.496 4.496 4.699 -0.203 18905 909 1 2 . 1 1 60 60 ASP C C 60 174.118 174.118 176.713 -2.595 18905 910 1 2 . 1 1 60 60 ASP CA C 60 50.786 50.786 53.158 -2.372 18905 911 1 2 . 1 1 60 60 ASP CB C 60 40.058 40.058 42.874 -2.817 18905 912 1 2 . 1 1 60 60 ASP H H 60 8.527 8.527 8.326 0.201 18905 913 1 2 . 1 1 61 61 LYS N N 61 125.977 125.977 122.613 3.364 18905 914 1 2 . 1 1 61 61 LYS HA H 61 3.918 3.918 4.217 -0.299 18905 915 1 2 . 1 1 61 61 LYS C C 61 174.696 174.696 177.468 -2.772 18905 916 1 2 . 1 1 61 61 LYS CA C 61 56.017 56.017 58.157 -2.140 18905 917 1 2 . 1 1 61 61 LYS CB C 61 29.813 29.813 32.638 -2.825 18905 918 1 2 . 1 1 61 61 LYS H H 61 8.770 8.770 8.590 0.180 18905 919 1 2 . 1 1 62 62 GLN N N 62 116.732 116.732 117.944 -1.212 18905 920 1 2 . 1 1 62 62 GLN HA H 62 4.252 4.252 4.174 0.078 18905 921 1 2 . 1 1 62 62 GLN C C 62 174.793 174.793 176.942 -2.149 18905 922 1 2 . 1 1 62 62 GLN CA C 62 55.001 55.001 57.481 -2.480 18905 923 1 2 . 1 1 62 62 GLN CB C 62 26.516 26.516 29.352 -2.836 18905 924 1 2 . 1 1 62 62 GLN H H 62 8.538 8.538 8.533 0.005 18905 925 1 2 . 1 1 63 63 THR N N 63 108.519 108.519 109.764 -1.245 18905 926 1 2 . 1 1 63 63 THR HA H 63 4.265 4.265 4.585 -0.320 18905 927 1 2 . 1 1 63 63 THR CA C 63 59.302 59.302 59.864 -0.562 18905 928 1 2 . 1 1 63 63 THR CB C 63 67.891 67.891 70.566 -2.675 18905 929 1 2 . 1 1 63 63 THR H H 63 7.882 7.882 8.032 -0.150 18905 930 1 2 . 1 1 64 64 GLN N N 64 113.890 113.890 118.476 -4.586 18905 931 1 2 . 1 1 64 64 GLN HA H 64 3.829 3.829 4.596 -0.767 18905 932 1 2 . 1 1 64 64 GLN C C 64 172.129 172.129 174.840 -2.711 18905 933 1 2 . 1 1 64 64 GLN CA C 64 54.560 54.560 54.788 -0.228 18905 934 1 2 . 1 1 64 64 GLN CB C 64 23.812 23.812 28.809 -4.997 18905 935 1 2 . 1 1 64 64 GLN H H 64 8.188 8.188 8.429 -0.241 18905 936 1 2 . 1 1 65 65 LEU N N 65 119.516 119.516 120.462 -0.946 18905 937 1 2 . 1 1 65 65 LEU HA H 65 4.463 4.463 4.507 -0.044 18905 938 1 2 . 1 1 65 65 LEU C C 65 174.174 174.174 175.350 -1.176 18905 939 1 2 . 1 1 65 65 LEU CA C 65 51.024 51.024 53.403 -2.379 18905 940 1 2 . 1 1 65 65 LEU CB C 65 39.608 39.608 44.628 -5.020 18905 941 1 2 . 1 1 65 65 LEU H H 65 7.682 7.682 7.452 0.230 18905 942 1 2 . 1 1 66 66 ASN N N 66 117.776 117.776 117.799 -0.023 18905 943 1 2 . 1 1 66 66 ASN HA H 66 4.958 4.958 4.846 0.112 18905 944 1 2 . 1 1 66 66 ASN C C 66 171.913 171.913 176.638 -4.725 18905 945 1 2 . 1 1 66 66 ASN CA C 66 50.440 50.440 53.100 -2.660 18905 946 1 2 . 1 1 66 66 ASN CB C 66 36.771 36.771 39.809 -3.038 18905 947 1 2 . 1 1 66 66 ASN H H 66 8.771 8.771 8.097 0.674 18905 948 1 2 . 1 1 67 67 ARG N N 67 117.508 117.508 124.198 -6.690 18905 949 1 2 . 1 1 67 67 ARG HA H 67 4.193 4.193 4.259 -0.066 18905 950 1 2 . 1 1 67 67 ARG CA C 67 53.615 53.615 56.822 -3.207 18905 951 1 2 . 1 1 67 67 ARG CB C 67 28.137 28.137 30.846 -2.709 18905 952 1 2 . 1 1 67 67 ARG H H 67 8.313 8.313 8.102 0.211 18905 953 1 2 . 1 1 68 68 GLY N N 68 107.904 107.904 106.959 0.945 18905 954 1 2 . 1 1 68 68 GLY CA C 68 42.842 42.842 45.054 -2.212 18905 955 1 2 . 1 1 68 68 GLY H H 68 9.437 9.437 8.703 0.734 18905 956 1 2 . 1 1 69 69 PHE N N 69 113.804 113.804 116.562 -2.758 18905 957 1 2 . 1 1 69 69 PHE HA H 69 5.754 5.754 5.289 0.465 18905 958 1 2 . 1 1 69 69 PHE C C 69 170.151 170.151 172.554 -2.403 18905 959 1 2 . 1 1 69 69 PHE CA C 69 51.625 51.625 55.187 -3.562 18905 960 1 2 . 1 1 69 69 PHE CB C 69 39.587 39.587 41.664 -2.077 18905 961 1 2 . 1 1 69 69 PHE H H 69 6.750 6.750 7.320 -0.570 18905 962 1 2 . 1 1 70 70 ALA N N 70 118.965 118.965 120.223 -1.258 18905 963 1 2 . 1 1 70 70 ALA HA H 70 4.807 4.807 4.472 0.335 18905 964 1 2 . 1 1 70 70 ALA C C 70 171.693 171.693 174.952 -3.259 18905 965 1 2 . 1 1 70 70 ALA CA C 70 47.155 47.155 50.099 -2.944 18905 966 1 2 . 1 1 70 70 ALA CB C 70 21.153 21.153 22.269 -1.116 18905 967 1 2 . 1 1 70 70 ALA H H 70 8.526 8.526 7.934 0.592 18905 968 1 2 . 1 1 71 71 PHE N N 71 117.469 117.469 117.585 -0.116 18905 969 1 2 . 1 1 71 71 PHE HA H 71 5.537 5.537 5.384 0.153 18905 970 1 2 . 1 1 71 71 PHE C C 71 172.630 172.630 174.408 -1.778 18905 971 1 2 . 1 1 71 71 PHE CA C 71 52.609 52.609 56.484 -3.875 18905 972 1 2 . 1 1 71 71 PHE CB C 71 39.675 39.675 44.252 -4.577 18905 973 1 2 . 1 1 71 71 PHE H H 71 8.824 8.824 8.197 0.627 18905 974 1 2 . 1 1 72 72 ILE N N 72 122.867 122.867 120.311 2.556 18905 975 1 2 . 1 1 72 72 ILE HA H 72 5.022 5.022 4.911 0.111 18905 976 1 2 . 1 1 72 72 ILE CA C 72 56.881 56.881 60.144 -3.263 18905 977 1 2 . 1 1 72 72 ILE CB C 72 37.031 37.031 41.458 -4.427 18905 978 1 2 . 1 1 72 72 ILE H H 72 9.555 9.555 9.204 0.351 18905 979 1 2 . 1 1 73 73 GLN N N 73 128.422 128.422 127.513 0.909 18905 980 1 2 . 1 1 73 73 GLN HA H 73 5.170 5.170 4.284 0.886 18905 981 1 2 . 1 1 73 73 GLN CA C 73 52.252 52.252 56.909 -4.657 18905 982 1 2 . 1 1 73 73 GLN CB C 73 28.291 28.291 28.865 -0.574 18905 983 1 2 . 1 1 73 73 GLN H H 73 8.964 8.964 8.208 0.756 18905 984 1 2 . 1 1 74 74 LEU N N 74 126.707 126.707 124.656 2.051 18905 985 1 2 . 1 1 74 74 LEU HA H 74 4.789 4.789 4.826 -0.037 18905 986 1 2 . 1 1 74 74 LEU CA C 74 50.617 50.617 53.397 -2.780 18905 987 1 2 . 1 1 74 74 LEU CB C 74 44.885 44.885 45.392 -0.507 18905 988 1 2 . 1 1 74 74 LEU H H 74 8.420 8.420 8.183 0.237 18905 989 1 2 . 1 1 75 75 SER HA H 75 4.284 4.284 5.020 -0.736 18905 990 1 2 . 1 1 75 75 SER CA C 75 55.390 55.390 56.186 -0.796 18905 991 1 2 . 1 1 75 75 SER CB C 75 61.275 61.275 64.637 -3.362 18905 992 1 2 . 1 1 76 76 THR N N 76 116.193 116.193 116.624 -0.431 18905 993 1 2 . 1 1 76 76 THR HA H 76 3.994 3.994 4.179 -0.185 18905 994 1 2 . 1 1 76 76 THR C C 76 174.630 174.630 176.633 -2.003 18905 995 1 2 . 1 1 76 76 THR CA C 76 64.225 64.225 66.518 -2.293 18905 996 1 2 . 1 1 76 76 THR CB C 76 66.003 66.003 68.767 -2.764 18905 997 1 2 . 1 1 76 76 THR H H 76 8.614 8.614 8.552 0.062 18905 998 1 2 . 1 1 77 77 ILE N N 77 120.400 120.400 120.182 0.218 18905 999 1 2 . 1 1 77 77 ILE HA H 77 3.911 3.911 3.929 -0.018 18905 1000 1 2 . 1 1 77 77 ILE C C 77 175.577 175.577 177.807 -2.230 18905 1001 1 2 . 1 1 77 77 ILE CA C 77 61.264 61.264 64.453 -3.189 18905 1002 1 2 . 1 1 77 77 ILE CB C 77 35.379 35.379 37.420 -2.041 18905 1003 1 2 . 1 1 77 77 ILE H H 77 8.044 8.044 8.285 -0.241 18905 1004 1 2 . 1 1 78 78 GLU N N 78 120.562 120.562 120.537 0.025 18905 1005 1 2 . 1 1 78 78 GLU HA H 78 4.062 4.062 3.953 0.109 18905 1006 1 2 . 1 1 78 78 GLU C C 78 176.596 176.596 179.187 -2.591 18905 1007 1 2 . 1 1 78 78 GLU CA C 78 56.355 56.355 60.026 -3.671 18905 1008 1 2 . 1 1 78 78 GLU CB C 78 27.668 27.668 28.957 -1.289 18905 1009 1 2 . 1 1 78 78 GLU H H 78 7.548 7.548 8.674 -1.126 18905 1010 1 2 . 1 1 79 79 ALA N N 79 122.789 122.789 120.583 2.206 18905 1011 1 2 . 1 1 79 79 ALA HA H 79 3.923 3.923 4.263 -0.340 18905 1012 1 2 . 1 1 79 79 ALA C C 79 175.736 175.736 179.661 -3.925 18905 1013 1 2 . 1 1 79 79 ALA CA C 79 52.649 52.649 54.914 -2.265 18905 1014 1 2 . 1 1 79 79 ALA CB C 79 15.305 15.305 18.308 -3.003 18905 1015 1 2 . 1 1 79 79 ALA H H 79 9.279 9.279 8.389 0.890 18905 1016 1 2 . 1 1 80 80 ALA N N 80 118.643 118.643 121.784 -3.141 18905 1017 1 2 . 1 1 80 80 ALA HA H 80 4.001 4.001 4.137 -0.136 18905 1018 1 2 . 1 1 80 80 ALA C C 80 177.943 177.943 179.635 -1.692 18905 1019 1 2 . 1 1 80 80 ALA CA C 80 52.521 52.521 54.954 -2.433 18905 1020 1 2 . 1 1 80 80 ALA CB C 80 15.281 15.281 18.516 -3.235 18905 1021 1 2 . 1 1 80 80 ALA H H 80 7.688 7.688 7.662 0.026 18905 1022 1 2 . 1 1 81 81 GLN N N 81 116.877 116.877 118.643 -1.766 18905 1023 1 2 . 1 1 81 81 GLN HA H 81 4.015 4.015 4.019 -0.004 18905 1024 1 2 . 1 1 81 81 GLN CA C 81 55.760 55.760 58.550 -2.790 18905 1025 1 2 . 1 1 81 81 GLN CB C 81 25.786 25.786 28.434 -2.648 18905 1026 1 2 . 1 1 81 81 GLN H H 81 7.593 7.593 8.258 -0.665 18905 1027 1 2 . 1 1 82 82 LEU N N 82 119.946 119.946 120.999 -1.053 18905 1028 1 2 . 1 1 82 82 LEU HA H 82 4.121 4.121 3.931 0.190 18905 1029 1 2 . 1 1 82 82 LEU C C 82 175.358 175.358 179.016 -3.658 18905 1030 1 2 . 1 1 82 82 LEU CA C 82 54.781 54.781 57.536 -2.755 18905 1031 1 2 . 1 1 82 82 LEU CB C 82 38.240 38.240 41.692 -3.452 18905 1032 1 2 . 1 1 82 82 LEU H H 82 8.258 8.258 8.479 -0.221 18905 1033 1 2 . 1 1 83 83 LEU N N 83 119.288 119.288 119.121 0.167 18905 1034 1 2 . 1 1 83 83 LEU HA H 83 3.585 3.585 3.800 -0.215 18905 1035 1 2 . 1 1 83 83 LEU C C 83 175.365 175.365 178.570 -3.205 18905 1036 1 2 . 1 1 83 83 LEU CA C 83 56.142 56.142 57.799 -1.657 18905 1037 1 2 . 1 1 83 83 LEU CB C 83 38.875 38.875 41.443 -2.568 18905 1038 1 2 . 1 1 83 83 LEU H H 83 8.407 8.407 7.456 0.951 18905 1039 1 2 . 1 1 84 84 GLN N N 84 115.391 115.391 118.276 -2.885 18905 1040 1 2 . 1 1 84 84 GLN HA H 84 3.878 3.878 3.944 -0.066 18905 1041 1 2 . 1 1 84 84 GLN C C 84 176.472 176.472 179.077 -2.605 18905 1042 1 2 . 1 1 84 84 GLN CA C 84 56.142 56.142 58.808 -2.666 18905 1043 1 2 . 1 1 84 84 GLN CB C 84 25.733 25.733 28.724 -2.991 18905 1044 1 2 . 1 1 84 84 GLN H H 84 7.347 7.347 7.370 -0.023 18905 1045 1 2 . 1 1 85 85 ILE N N 85 119.593 119.593 121.512 -1.919 18905 1046 1 2 . 1 1 85 85 ILE HA H 85 3.607 3.607 3.601 0.006 18905 1047 1 2 . 1 1 85 85 ILE CA C 85 61.779 61.779 64.922 -3.143 18905 1048 1 2 . 1 1 85 85 ILE CB C 85 35.948 35.948 37.879 -1.931 18905 1049 1 2 . 1 1 85 85 ILE H H 85 7.650 7.650 7.787 -0.137 18905 1050 1 2 . 1 1 86 86 LEU N N 86 116.537 116.537 118.198 -1.661 18905 1051 1 2 . 1 1 86 86 LEU HA H 86 3.757 3.757 3.924 -0.167 18905 1052 1 2 . 1 1 86 86 LEU C C 86 177.610 177.610 178.902 -1.292 18905 1053 1 2 . 1 1 86 86 LEU CA C 86 54.521 54.521 57.624 -3.103 18905 1054 1 2 . 1 1 86 86 LEU CB C 86 39.226 39.226 41.111 -1.885 18905 1055 1 2 . 1 1 86 86 LEU H H 86 8.410 8.410 8.525 -0.115 18905 1056 1 2 . 1 1 87 87 GLN N N 87 115.959 115.959 117.954 -1.995 18905 1057 1 2 . 1 1 87 87 GLN HA H 87 4.009 4.009 4.101 -0.092 18905 1058 1 2 . 1 1 87 87 GLN C C 87 174.156 174.156 176.673 -2.517 18905 1059 1 2 . 1 1 87 87 GLN CA C 87 55.735 55.735 57.924 -2.189 18905 1060 1 2 . 1 1 87 87 GLN CB C 87 25.516 25.516 28.721 -3.205 18905 1061 1 2 . 1 1 87 87 GLN H H 87 8.406 8.406 7.485 0.921 18905 1062 1 2 . 1 1 88 88 ALA N N 88 120.044 120.044 120.531 -0.487 18905 1063 1 2 . 1 1 88 88 ALA HA H 88 4.338 4.338 4.522 -0.184 18905 1064 1 2 . 1 1 88 88 ALA C C 88 174.373 174.373 176.184 -1.811 18905 1065 1 2 . 1 1 88 88 ALA CA C 88 48.933 48.933 52.041 -3.108 18905 1066 1 2 . 1 1 88 88 ALA CB C 88 16.681 16.681 19.933 -3.252 18905 1067 1 2 . 1 1 88 88 ALA H H 88 7.110 7.110 7.686 -0.576 18905 1068 1 2 . 1 1 89 89 LEU N N 89 119.696 119.696 116.199 3.497 18905 1069 1 2 . 1 1 89 89 LEU HA H 89 3.929 3.929 4.967 -1.038 18905 1070 1 2 . 1 1 89 89 LEU C C 89 175.387 175.387 174.874 0.513 18905 1071 1 2 . 1 1 89 89 LEU CA C 89 53.364 53.364 54.710 -1.346 18905 1072 1 2 . 1 1 89 89 LEU CB C 89 39.775 39.775 44.034 -4.259 18905 1073 1 2 . 1 1 89 89 LEU H H 89 6.693 6.693 7.522 -0.829 18905 1074 1 2 . 1 1 90 90 HIS N N 90 120.136 120.136 117.686 2.450 18905 1075 1 2 . 1 1 90 90 HIS HA H 90 4.419 4.419 4.936 -0.517 18905 1076 1 2 . 1 1 90 90 HIS CA C 90 50.226 50.226 53.893 -3.667 18905 1077 1 2 . 1 1 90 90 HIS CB C 90 27.853 27.853 31.206 -3.353 18905 1078 1 2 . 1 1 90 90 HIS H H 90 8.299 8.299 8.548 -0.249 18905 1079 1 2 . 1 1 91 91 PRO HA H 91 4.367 4.367 4.683 -0.316 18905 1080 1 2 . 1 1 91 91 PRO CA C 91 60.550 60.550 61.708 -1.158 18905 1081 1 2 . 1 1 91 91 PRO CB C 91 29.416 29.416 31.585 -2.169 18905 1082 1 2 . 1 1 92 92 PRO HA H 92 4.815 4.815 4.536 0.279 18905 1083 1 2 . 1 1 92 92 PRO CA C 92 59.812 59.812 63.432 -3.620 18905 1084 1 2 . 1 1 92 92 PRO CB C 92 30.119 30.119 31.851 -1.732 18905 1085 1 2 . 1 1 93 93 LEU N N 93 121.469 121.469 119.322 2.147 18905 1086 1 2 . 1 1 93 93 LEU HA H 93 3.954 3.954 4.475 -0.521 18905 1087 1 2 . 1 1 93 93 LEU CA C 93 53.500 53.500 55.389 -1.889 18905 1088 1 2 . 1 1 93 93 LEU CB C 93 39.889 39.889 42.090 -2.201 18905 1089 1 2 . 1 1 93 93 LEU H H 93 8.404 8.404 7.604 0.800 18905 1090 1 2 . 1 1 94 94 THR HA H 94 5.276 5.276 4.710 0.566 18905 1091 1 2 . 1 1 94 94 THR CA C 94 57.077 57.077 61.254 -4.177 18905 1092 1 2 . 1 1 94 94 THR CB C 94 69.076 69.076 69.376 -0.300 18905 1093 1 2 . 1 1 95 95 ILE N N 95 121.239 121.239 126.097 -4.858 18905 1094 1 2 . 1 1 95 95 ILE HA H 95 4.184 4.184 4.051 0.133 18905 1095 1 2 . 1 1 95 95 ILE CA C 95 58.054 58.054 62.368 -4.314 18905 1096 1 2 . 1 1 95 95 ILE CB C 95 37.534 37.534 38.852 -1.317 18905 1097 1 2 . 1 1 95 95 ILE H H 95 8.317 8.317 8.717 -0.400 18905 1098 1 2 . 1 1 96 96 ASP N N 96 130.909 130.909 126.054 4.855 18905 1099 1 2 . 1 1 96 96 ASP HA H 96 4.292 4.292 4.326 -0.034 18905 1100 1 2 . 1 1 96 96 ASP CA C 96 53.001 53.001 55.135 -2.134 18905 1101 1 2 . 1 1 96 96 ASP CB C 96 37.114 37.114 38.811 -1.697 18905 1102 1 2 . 1 1 96 96 ASP H H 96 9.837 9.837 9.109 0.728 18905 1103 1 2 . 1 1 97 97 GLY N N 97 102.578 102.578 102.235 0.343 18905 1104 1 2 . 1 1 97 97 GLY C C 97 170.992 170.992 174.713 -3.721 18905 1105 1 2 . 1 1 97 97 GLY CA C 97 42.754 42.754 45.359 -2.605 18905 1106 1 2 . 1 1 97 97 GLY H H 97 8.638 8.638 7.791 0.847 18905 1107 1 2 . 1 1 98 98 LYS N N 98 120.330 120.330 121.315 -0.985 18905 1108 1 2 . 1 1 98 98 LYS HA H 98 4.629 4.629 4.597 0.032 18905 1109 1 2 . 1 1 98 98 LYS C C 98 172.675 172.675 175.339 -2.664 18905 1110 1 2 . 1 1 98 98 LYS CA C 98 50.304 50.304 55.758 -5.454 18905 1111 1 2 . 1 1 98 98 LYS CB C 98 31.136 31.136 34.305 -3.169 18905 1112 1 2 . 1 1 98 98 LYS H H 98 7.440 7.440 8.247 -0.807 18905 1113 1 2 . 1 1 99 99 THR N N 99 119.612 119.612 110.656 8.956 18905 1114 1 2 . 1 1 99 99 THR HA H 99 4.356 4.356 4.605 -0.249 18905 1115 1 2 . 1 1 99 99 THR C C 99 171.511 171.511 173.199 -1.688 18905 1116 1 2 . 1 1 99 99 THR CA C 99 60.382 60.382 59.398 0.984 18905 1117 1 2 . 1 1 99 99 THR CB C 99 65.967 65.967 71.164 -5.197 18905 1118 1 2 . 1 1 99 99 THR H H 99 8.626 8.626 8.173 0.453 18905 1119 1 2 . 1 1 100 100 ILE N N 100 129.389 129.389 122.394 6.995 18905 1120 1 2 . 1 1 100 100 ILE HA H 100 4.358 4.358 4.279 0.079 18905 1121 1 2 . 1 1 100 100 ILE C C 100 172.710 172.710 175.998 -3.288 18905 1122 1 2 . 1 1 100 100 ILE CA C 100 55.202 55.202 60.455 -5.253 18905 1123 1 2 . 1 1 100 100 ILE CB C 100 34.925 34.925 37.423 -2.498 18905 1124 1 2 . 1 1 100 100 ILE H H 100 8.463 8.463 8.437 0.026 18905 1125 1 2 . 1 1 101 101 ASN N N 101 123.767 123.767 123.914 -0.147 18905 1126 1 2 . 1 1 101 101 ASN HA H 101 4.904 4.904 4.802 0.102 18905 1127 1 2 . 1 1 101 101 ASN C C 101 170.860 170.860 174.652 -3.792 18905 1128 1 2 . 1 1 101 101 ASN CA C 101 49.884 49.884 53.180 -3.296 18905 1129 1 2 . 1 1 101 101 ASN CB C 101 38.364 38.364 39.633 -1.269 18905 1130 1 2 . 1 1 101 101 ASN H H 101 7.878 7.878 8.118 -0.240 18905 1131 1 2 . 1 1 102 102 VAL N N 102 122.207 122.207 119.806 2.401 18905 1132 1 2 . 1 1 102 102 VAL HA H 102 4.933 4.933 4.287 0.646 18905 1133 1 2 . 1 1 102 102 VAL C C 102 175.222 175.222 174.687 0.535 18905 1134 1 2 . 1 1 102 102 VAL CA C 102 57.981 57.981 61.568 -3.587 18905 1135 1 2 . 1 1 102 102 VAL CB C 102 31.183 31.183 32.922 -1.739 18905 1136 1 2 . 1 1 102 102 VAL H H 102 8.503 8.503 8.291 0.212 18905 1137 1 2 . 1 1 103 103 GLU N N 103 124.079 124.079 126.664 -2.585 18905 1138 1 2 . 1 1 103 103 GLU HA H 103 4.557 4.557 4.546 0.011 18905 1139 1 2 . 1 1 103 103 GLU CA C 103 51.772 51.772 55.719 -3.947 18905 1140 1 2 . 1 1 103 103 GLU CB C 103 31.226 31.226 32.916 -1.690 18905 1141 1 2 . 1 1 103 103 GLU H H 103 8.627 8.627 8.296 0.331 18905 1142 1 2 . 1 1 104 104 PHE N N 104 121.287 121.287 118.652 2.635 18905 1143 1 2 . 1 1 104 104 PHE HA H 104 5.047 5.047 5.102 -0.055 18905 1144 1 2 . 1 1 104 104 PHE C C 104 173.023 173.023 173.915 -0.892 18905 1145 1 2 . 1 1 104 104 PHE CA C 104 55.305 55.305 54.260 1.046 18905 1146 1 2 . 1 1 104 104 PHE CB C 104 38.342 38.342 41.863 -3.521 18905 1147 1 2 . 1 1 104 104 PHE H H 104 8.778 8.778 8.615 0.163 18905 1148 1 2 . 1 1 105 105 ALA N N 105 127.703 127.703 121.913 5.790 18905 1149 1 2 . 1 1 105 105 ALA HA H 105 4.278 4.278 4.458 -0.180 18905 1150 1 2 . 1 1 105 105 ALA C C 105 172.939 172.939 175.576 -2.637 18905 1151 1 2 . 1 1 105 105 ALA CA C 105 48.936 48.936 51.376 -2.440 18905 1152 1 2 . 1 1 105 105 ALA CB C 105 17.822 17.822 19.329 -1.507 18905 1153 1 2 . 1 1 105 105 ALA H H 105 8.630 8.630 8.554 0.076 18905 1154 1 2 . 1 1 106 106 LYS N N 106 121.259 121.259 121.575 -0.316 18905 1155 1 2 . 1 1 106 106 LYS HA H 106 4.211 4.211 3.898 0.313 18905 1156 1 2 . 1 1 106 106 LYS C C 106 174.939 174.939 176.219 -1.280 18905 1157 1 2 . 1 1 106 106 LYS CA C 106 52.995 52.995 57.017 -4.022 18905 1158 1 2 . 1 1 106 106 LYS CB C 106 30.290 30.290 31.047 -0.756 18905 1159 1 2 . 1 1 106 106 LYS H H 106 8.289 8.289 7.464 0.825 18905 1160 1 2 . 1 1 107 107 GLY N N 107 111.965 111.965 114.236 -2.271 18905 1161 1 2 . 1 1 107 107 GLY C C 107 171.215 171.215 172.828 -1.613 18905 1162 1 2 . 1 1 107 107 GLY CA C 107 42.651 42.651 44.681 -2.030 18905 1163 1 2 . 1 1 107 107 GLY H H 107 8.921 8.921 7.953 0.968 18905 1164 1 2 . 1 1 108 108 SER N N 108 114.479 114.479 116.854 -2.375 18905 1165 1 2 . 1 1 108 108 SER HA H 108 4.294 4.294 4.617 -0.323 18905 1166 1 2 . 1 1 108 108 SER C C 108 172.040 172.040 174.056 -2.016 18905 1167 1 2 . 1 1 108 108 SER CA C 108 55.336 55.336 57.510 -2.174 18905 1168 1 2 . 1 1 108 108 SER H H 108 8.197 8.197 8.569 -0.372 18905 1169 1 2 . 1 1 109 109 LYS N N 109 123.374 123.374 121.642 1.732 18905 1170 1 2 . 1 1 109 109 LYS HA H 109 4.198 4.198 4.234 -0.036 18905 1171 1 2 . 1 1 109 109 LYS C C 109 173.967 173.967 176.686 -2.719 18905 1172 1 2 . 1 1 109 109 LYS CA C 109 53.730 53.730 56.659 -2.929 18905 1173 1 2 . 1 1 109 109 LYS CB C 109 30.137 30.137 32.948 -2.811 18905 1174 1 2 . 1 1 109 109 LYS H H 109 8.306 8.306 8.425 -0.119 18905 1175 1 2 . 1 1 110 110 ARG N N 110 134.189 134.189 120.248 13.941 18905 1176 1 2 . 1 1 110 110 ARG HA H 110 4.542 4.542 4.532 0.010 18905 1177 1 2 . 1 1 110 110 ARG C C 110 173.119 173.119 174.449 -1.330 18905 1178 1 2 . 1 1 110 110 ARG CA C 110 52.474 52.474 55.877 -3.403 18905 1179 1 2 . 1 1 110 110 ARG CB C 110 32.296 32.296 31.777 0.519 18905 1180 1 2 . 1 1 111 111 ASP N N 111 123.210 123.210 122.235 0.975 18905 1181 1 2 . 1 1 111 111 ASP HA H 111 4.519 4.519 4.765 -0.246 18905 1182 1 2 . 1 1 111 111 ASP C C 111 174.187 174.187 174.547 -0.360 18905 1183 1 2 . 1 1 111 111 ASP CA C 111 52.307 52.307 54.760 -2.453 18905 1184 1 2 . 1 1 111 111 ASP CB C 111 40.206 40.206 41.197 -0.991 18905 1185 1 2 . 1 1 111 111 ASP H H 111 8.523 8.523 8.562 -0.039 18905 1186 1 2 . 1 1 112 112 MET HA H 112 4.330 4.330 4.638 -0.308 18905 1187 1 2 . 1 1 112 112 MET CA C 112 53.074 53.074 55.399 -2.325 18905 1188 1 2 . 1 1 112 112 MET CB C 112 30.057 30.057 34.988 -4.931 18905 1189 1 2 . 1 1 113 113 ALA N N 113 124.061 124.061 122.256 1.805 18905 1190 1 2 . 1 1 113 113 ALA HA H 113 4.229 4.229 4.795 -0.566 18905 1191 1 2 . 1 1 113 113 ALA C C 113 175.243 175.243 175.359 -0.116 18905 1192 1 2 . 1 1 113 113 ALA CA C 113 49.967 49.967 51.412 -1.445 18905 1193 1 2 . 1 1 113 113 ALA CB C 113 16.436 16.436 21.109 -4.673 18905 1194 1 2 . 1 1 113 113 ALA H H 113 8.214 8.214 8.002 0.212 18905 1195 1 2 . 1 1 114 114 SER N N 114 114.286 114.286 113.604 0.682 18905 1196 1 2 . 1 1 114 114 SER HA H 114 4.376 4.376 4.608 -0.232 18905 1197 1 2 . 1 1 114 114 SER CA C 114 55.596 55.596 58.080 -2.484 18905 1198 1 2 . 1 1 114 114 SER CB C 114 61.009 61.009 64.117 -3.108 18905 1199 1 2 . 1 1 114 114 SER H H 114 8.124 8.124 8.278 -0.154 18905 1200 1 2 . 1 1 119 119 ARG N N 119 122.813 122.813 126.966 -4.153 18905 1201 1 2 . 1 1 119 119 ARG HA H 119 4.294 4.294 4.436 -0.142 18905 1202 1 2 . 1 1 119 119 ARG C C 119 173.654 173.654 174.634 -0.980 18905 1203 1 2 . 1 1 119 119 ARG CA C 119 53.701 53.701 55.751 -2.050 18905 1204 1 2 . 1 1 119 119 ARG CB C 119 28.140 28.140 30.319 -2.179 18905 1205 1 2 . 1 1 119 119 ARG H H 119 8.246 8.246 8.253 -0.007 18905 1206 1 2 . 1 1 120 120 ILE N N 120 121.624 121.624 124.610 -2.986 18905 1207 1 2 . 1 1 120 120 ILE HA H 120 4.099 4.099 4.385 -0.286 18905 1208 1 2 . 1 1 120 120 ILE C C 120 173.651 173.651 175.073 -1.422 18905 1209 1 2 . 1 1 120 120 ILE CA C 120 58.593 58.593 61.579 -2.986 18905 1210 1 2 . 1 1 120 120 ILE CB C 120 36.091 36.091 38.944 -2.853 18905 1211 1 2 . 1 1 120 120 ILE H H 120 8.084 8.084 8.378 -0.294 18905 1212 1 2 . 1 1 121 121 SER N N 121 119.953 119.953 122.565 -2.612 18905 1213 1 2 . 1 1 121 121 SER HA H 121 4.378 4.378 4.883 -0.505 18905 1214 1 2 . 1 1 121 121 SER C C 121 170.780 170.780 173.285 -2.505 18905 1215 1 2 . 1 1 121 121 SER CA C 121 55.506 55.506 57.503 -1.997 18905 1216 1 2 . 1 1 121 121 SER CB C 121 61.571 61.571 65.224 -3.653 18905 1217 1 2 . 1 1 121 121 SER H H 121 8.300 8.300 8.598 -0.298 18905 1218 1 2 . 1 1 123 123 ALA N N 123 119.892 119.892 121.270 -1.378 18905 1219 1 2 . 1 1 123 123 ALA HA H 123 4.102 4.102 4.636 -0.534 18905 1220 1 2 . 1 1 123 123 ALA CA C 123 58.473 58.473 52.175 6.298 18905 1221 1 2 . 1 1 123 123 ALA H H 123 8.305 8.305 8.234 0.071 18905 1222 1 2 . 1 1 124 124 SER N N 124 122.264 122.264 115.712 6.552 18905 1223 1 2 . 1 1 124 124 SER HA H 124 4.384 4.384 4.663 -0.279 18905 1224 1 2 . 1 1 124 124 SER CA C 124 55.632 55.632 58.070 -2.438 18905 1225 1 2 . 1 1 124 124 SER CB C 124 60.925 60.925 64.073 -3.148 18905 1226 1 2 . 1 1 124 124 SER H H 124 8.353 8.353 8.119 0.234 18905 1227 1 2 . 1 1 125 125 VAL N N 125 121.433 121.433 122.243 -0.810 18905 1228 1 2 . 1 1 125 125 VAL HA H 125 4.073 4.073 4.270 -0.197 18905 1229 1 2 . 1 1 125 125 VAL C C 125 173.240 173.240 175.076 -1.836 18905 1230 1 2 . 1 1 125 125 VAL CA C 125 59.588 59.588 62.200 -2.612 18905 1231 1 2 . 1 1 125 125 VAL CB C 125 30.198 30.198 33.511 -3.313 18905 1232 1 2 . 1 1 125 125 VAL H H 125 8.014 8.014 8.163 -0.149 18905 1233 1 2 . 1 1 126 126 ALA N N 126 127.185 127.185 129.108 -1.923 18905 1234 1 2 . 1 1 126 126 ALA HA H 126 4.278 4.278 4.855 -0.577 18905 1235 1 2 . 1 1 126 126 ALA C C 126 175.118 175.118 176.672 -1.554 18905 1236 1 2 . 1 1 126 126 ALA CA C 126 49.919 49.919 51.930 -2.011 18905 1237 1 2 . 1 1 126 126 ALA CB C 126 16.532 16.532 20.595 -4.063 18905 1238 1 2 . 1 1 126 126 ALA H H 126 8.277 8.277 8.313 -0.036 18905 1239 1 2 . 1 1 127 127 SER N N 127 115.148 115.148 115.906 -0.758 18905 1240 1 2 . 1 1 127 127 SER HA H 127 4.420 4.420 4.598 -0.178 18905 1241 1 2 . 1 1 127 127 SER C C 127 172.168 172.168 174.081 -1.913 18905 1242 1 2 . 1 1 127 127 SER CA C 127 55.770 55.770 58.669 -2.899 18905 1243 1 2 . 1 1 127 127 SER CB C 127 58.992 58.992 63.358 -4.366 18905 1244 1 2 . 1 1 127 127 SER H H 127 8.249 8.249 8.140 0.109 18905 1245 1 2 . 1 1 128 128 THR N N 128 115.498 115.498 115.277 0.221 18905 1246 1 2 . 1 1 128 128 THR C C 128 171.392 171.392 173.246 -1.854 18905 1247 1 2 . 1 1 128 128 THR CA C 128 59.083 59.083 61.457 -2.374 18905 1248 1 2 . 1 1 128 128 THR H H 128 8.050 8.050 7.977 0.073 18905 1249 1 2 . 1 1 129 129 ALA N N 129 126.543 126.543 123.768 2.775 18905 1250 1 2 . 1 1 129 129 ALA HA H 129 4.236 4.236 4.629 -0.393 18905 1251 1 2 . 1 1 129 129 ALA C C 129 174.650 174.650 177.178 -2.528 18905 1252 1 2 . 1 1 129 129 ALA CA C 129 49.794 49.794 52.069 -2.275 18905 1253 1 2 . 1 1 129 129 ALA CB C 129 16.538 16.538 19.308 -2.770 18905 1254 1 2 . 1 1 129 129 ALA H H 129 8.160 8.160 8.220 -0.060 18905 1255 1 2 . 1 1 130 130 ILE N N 130 120.371 120.371 115.785 4.586 18905 1256 1 2 . 1 1 130 130 ILE HA H 130 4.099 4.099 4.628 -0.529 18905 1257 1 2 . 1 1 130 130 ILE C C 130 173.651 173.651 175.109 -1.458 18905 1258 1 2 . 1 1 130 130 ILE CA C 130 58.513 58.513 60.428 -1.915 18905 1259 1 2 . 1 1 130 130 ILE CB C 130 36.091 36.091 39.286 -3.195 18905 1260 1 2 . 1 1 130 130 ILE H H 130 8.043 8.043 7.878 0.165 18905 1261 1 3 . 1 1 4 4 GLY N N 4 110.117 110.117 108.580 1.537 18905 1262 1 3 . 1 1 4 4 GLY C C 4 171.413 171.413 172.584 -1.171 18905 1263 1 3 . 1 1 4 4 GLY CA C 4 42.667 42.667 44.681 -2.014 18905 1264 1 3 . 1 1 4 4 GLY H H 4 8.391 8.391 8.466 -0.075 18905 1265 1 3 . 1 1 5 5 VAL N N 5 119.501 119.501 119.924 -0.423 18905 1266 1 3 . 1 1 5 5 VAL HA H 5 4.018 4.018 4.645 -0.627 18905 1267 1 3 . 1 1 5 5 VAL C C 5 173.738 173.738 175.386 -1.648 18905 1268 1 3 . 1 1 5 5 VAL CA C 5 59.923 59.923 62.093 -2.170 18905 1269 1 3 . 1 1 5 5 VAL CB C 5 30.111 30.111 34.080 -3.969 18905 1270 1 3 . 1 1 5 5 VAL H H 5 7.951 7.951 8.360 -0.409 18905 1271 1 3 . 1 1 6 6 LEU N N 6 125.484 125.484 127.027 -1.543 18905 1272 1 3 . 1 1 6 6 LEU HA H 6 4.280 4.280 5.293 -1.013 18905 1273 1 3 . 1 1 6 6 LEU C C 6 174.708 174.708 175.505 -0.797 18905 1274 1 3 . 1 1 6 6 LEU CA C 6 52.535 52.535 54.104 -1.569 18905 1275 1 3 . 1 1 6 6 LEU CB C 6 39.586 39.586 44.929 -5.343 18905 1276 1 3 . 1 1 6 6 LEU H H 6 8.248 8.248 8.683 -0.435 18905 1277 1 3 . 1 1 7 7 ALA N N 7 124.939 124.939 124.939 0.000 18905 1278 1 3 . 1 1 7 7 ALA HA H 7 4.234 4.234 5.194 -0.960 18905 1279 1 3 . 1 1 7 7 ALA C C 7 174.865 174.865 175.636 -0.771 18905 1280 1 3 . 1 1 7 7 ALA CA C 7 50.136 50.136 51.691 -1.555 18905 1281 1 3 . 1 1 7 7 ALA CB C 7 16.500 16.500 21.391 -4.891 18905 1282 1 3 . 1 1 7 7 ALA H H 7 8.241 8.241 8.610 -0.369 18905 1283 1 3 . 1 1 8 8 SER N N 8 117.901 117.901 115.769 2.132 18905 1284 1 3 . 1 1 8 8 SER HA H 8 4.377 4.377 4.766 -0.389 18905 1285 1 3 . 1 1 8 8 SER C C 8 172.221 172.221 173.694 -1.473 18905 1286 1 3 . 1 1 8 8 SER CA C 8 56.008 56.008 58.114 -2.106 18905 1287 1 3 . 1 1 8 8 SER CB C 8 61.008 61.008 65.071 -4.063 18905 1288 1 3 . 1 1 8 8 SER H H 8 8.347 8.347 9.066 -0.719 18905 1289 1 3 . 1 1 9 9 GLN N N 9 122.019 122.019 120.751 1.268 18905 1290 1 3 . 1 1 9 9 GLN HA H 9 4.302 4.302 5.011 -0.709 18905 1291 1 3 . 1 1 9 9 GLN C C 9 173.160 173.160 174.410 -1.250 18905 1292 1 3 . 1 1 9 9 GLN CA C 9 53.470 53.470 55.142 -1.673 18905 1293 1 3 . 1 1 9 9 GLN CB C 9 26.663 26.663 29.653 -2.990 18905 1294 1 3 . 1 1 9 9 GLN H H 9 8.240 8.240 8.592 -0.352 18905 1295 1 3 . 1 1 10 10 ALA N N 10 124.490 124.490 122.210 2.280 18905 1296 1 3 . 1 1 10 10 ALA HA H 10 4.238 4.238 4.956 -0.718 18905 1297 1 3 . 1 1 10 10 ALA C C 10 175.142 175.142 175.816 -0.674 18905 1298 1 3 . 1 1 10 10 ALA CA C 10 50.121 50.121 51.279 -1.159 18905 1299 1 3 . 1 1 10 10 ALA CB C 10 16.322 16.322 20.949 -4.627 18905 1300 1 3 . 1 1 10 10 ALA H H 10 8.132 8.132 8.612 -0.480 18905 1301 1 3 . 1 1 11 11 LEU N N 11 120.785 120.785 120.169 0.616 18905 1302 1 3 . 1 1 11 11 LEU HA H 11 4.278 4.278 4.750 -0.472 18905 1303 1 3 . 1 1 11 11 LEU C C 11 174.929 174.929 176.047 -1.118 18905 1304 1 3 . 1 1 11 11 LEU CA C 11 52.612 52.612 54.270 -1.658 18905 1305 1 3 . 1 1 11 11 LEU CB C 11 39.647 39.647 43.592 -3.945 18905 1306 1 3 . 1 1 11 11 LEU H H 11 8.088 8.088 8.300 -0.212 18905 1307 1 3 . 1 1 12 12 SER N N 12 116.121 116.121 114.080 2.041 18905 1308 1 3 . 1 1 12 12 SER C C 12 171.977 171.977 173.196 -1.219 18905 1309 1 3 . 1 1 12 12 SER CA C 12 55.621 55.621 57.954 -2.333 18905 1310 1 3 . 1 1 12 12 SER CB C 12 56.041 56.041 64.844 -8.803 18905 1311 1 3 . 1 1 12 12 SER H H 12 8.170 8.170 8.451 -0.281 18905 1312 1 3 . 1 1 13 13 GLN N N 13 122.139 122.139 121.660 0.479 18905 1313 1 3 . 1 1 13 13 GLN HA H 13 4.312 4.312 5.003 -0.691 18905 1314 1 3 . 1 1 13 13 GLN CA C 13 54.059 54.059 54.895 -0.836 18905 1315 1 3 . 1 1 13 13 GLN H H 13 8.368 8.368 8.831 -0.463 18905 1316 1 3 . 1 1 14 14 GLY N N 14 109.259 109.259 108.687 0.572 18905 1317 1 3 . 1 1 14 14 GLY CA C 14 42.970 42.970 44.858 -1.888 18905 1318 1 3 . 1 1 14 14 GLY H H 14 8.378 8.378 8.263 0.115 18905 1319 1 3 . 1 1 15 15 SER N N 15 115.486 115.486 115.320 0.166 18905 1320 1 3 . 1 1 15 15 SER HA H 15 4.378 4.378 4.892 -0.514 18905 1321 1 3 . 1 1 15 15 SER CA C 15 55.853 55.853 57.800 -1.947 18905 1322 1 3 . 1 1 15 15 SER CB C 15 59.406 59.406 65.214 -5.808 18905 1323 1 3 . 1 1 15 15 SER H H 15 8.085 8.085 8.088 -0.003 18905 1324 1 3 . 1 1 16 16 GLU N N 16 120.501 120.501 121.874 -1.373 18905 1325 1 3 . 1 1 16 16 GLU HA H 16 4.664 4.664 4.728 -0.064 18905 1326 1 3 . 1 1 16 16 GLU CA C 16 50.628 50.628 54.124 -3.496 18905 1327 1 3 . 1 1 16 16 GLU CB C 16 36.442 36.442 30.963 5.479 18905 1328 1 3 . 1 1 16 16 GLU H H 16 8.376 8.376 8.526 -0.150 18905 1329 1 3 . 1 1 17 17 PRO CA C 17 65.700 65.700 64.115 1.585 18905 1330 1 3 . 1 1 22 22 ALA N N 22 124.130 124.130 123.012 1.118 18905 1331 1 3 . 1 1 22 22 ALA HA H 22 4.178 4.178 4.500 -0.322 18905 1332 1 3 . 1 1 22 22 ALA CA C 22 49.746 49.746 51.982 -2.236 18905 1333 1 3 . 1 1 22 22 ALA CB C 22 16.789 16.789 19.192 -2.404 18905 1334 1 3 . 1 1 22 22 ALA H H 22 8.096 8.096 8.220 -0.124 18905 1335 1 3 . 1 1 23 23 ASN N N 23 117.516 117.516 117.763 -0.247 18905 1336 1 3 . 1 1 23 23 ASN HA H 23 4.672 4.672 4.869 -0.197 18905 1337 1 3 . 1 1 23 23 ASN C C 23 171.179 171.179 172.863 -1.684 18905 1338 1 3 . 1 1 23 23 ASN CA C 23 50.084 50.084 52.867 -2.783 18905 1339 1 3 . 1 1 23 23 ASN CB C 23 36.737 36.737 41.319 -4.582 18905 1340 1 3 . 1 1 23 23 ASN H H 23 8.037 8.037 8.140 -0.103 18905 1341 1 3 . 1 1 24 24 ASP N N 24 118.387 118.387 122.382 -3.995 18905 1342 1 3 . 1 1 24 24 ASP HA H 24 4.676 4.676 4.620 0.056 18905 1343 1 3 . 1 1 24 24 ASP CA C 24 50.660 50.660 54.870 -4.210 18905 1344 1 3 . 1 1 24 24 ASP CB C 24 40.670 40.670 40.974 -0.304 18905 1345 1 3 . 1 1 24 24 ASP H H 24 8.198 8.198 8.401 -0.203 18905 1346 1 3 . 1 1 25 25 THR N N 25 114.224 114.224 114.468 -0.244 18905 1347 1 3 . 1 1 25 25 THR HA H 25 5.275 5.275 4.678 0.597 18905 1348 1 3 . 1 1 25 25 THR CA C 25 59.162 59.162 60.811 -1.649 18905 1349 1 3 . 1 1 25 25 THR CB C 25 68.849 68.849 72.666 -3.817 18905 1350 1 3 . 1 1 25 25 THR H H 25 8.090 8.090 8.159 -0.069 18905 1351 1 3 . 1 1 26 26 ILE N N 26 126.637 126.637 121.384 5.253 18905 1352 1 3 . 1 1 26 26 ILE HA H 26 4.650 4.650 4.579 0.072 18905 1353 1 3 . 1 1 26 26 ILE C C 26 171.500 171.500 174.222 -2.722 18905 1354 1 3 . 1 1 26 26 ILE CA C 26 56.930 56.930 59.192 -2.262 18905 1355 1 3 . 1 1 26 26 ILE CB C 26 38.159 38.159 39.808 -1.649 18905 1356 1 3 . 1 1 26 26 ILE H H 26 9.314 9.314 8.475 0.839 18905 1357 1 3 . 1 1 27 27 ILE N N 27 126.764 126.764 123.620 3.144 18905 1358 1 3 . 1 1 27 27 ILE HA H 27 4.955 4.955 4.755 0.200 18905 1359 1 3 . 1 1 27 27 ILE C C 27 171.462 171.462 173.834 -2.372 18905 1360 1 3 . 1 1 27 27 ILE CA C 27 56.909 56.909 58.811 -1.902 18905 1361 1 3 . 1 1 27 27 ILE CB C 27 38.397 38.397 42.721 -4.324 18905 1362 1 3 . 1 1 27 27 ILE H H 27 9.280 9.280 7.830 1.450 18905 1363 1 3 . 1 1 28 28 LEU N N 28 125.666 125.666 122.125 3.541 18905 1364 1 3 . 1 1 28 28 LEU HA H 28 4.858 4.858 4.792 0.066 18905 1365 1 3 . 1 1 28 28 LEU C C 28 172.714 172.714 176.058 -3.344 18905 1366 1 3 . 1 1 28 28 LEU CA C 28 50.153 50.153 52.908 -2.755 18905 1367 1 3 . 1 1 28 28 LEU CB C 28 39.943 39.943 44.254 -4.311 18905 1368 1 3 . 1 1 28 28 LEU H H 28 8.791 8.791 8.389 0.402 18905 1369 1 3 . 1 1 29 29 ARG N N 29 119.656 119.656 120.023 -0.367 18905 1370 1 3 . 1 1 29 29 ARG HA H 29 5.023 5.023 4.979 0.044 18905 1371 1 3 . 1 1 29 29 ARG C C 29 172.927 172.927 176.036 -3.109 18905 1372 1 3 . 1 1 29 29 ARG CA C 29 51.933 51.933 53.906 -1.973 18905 1373 1 3 . 1 1 29 29 ARG CB C 29 31.298 31.298 33.045 -1.747 18905 1374 1 3 . 1 1 29 29 ARG H H 29 8.742 8.742 7.856 0.886 18905 1375 1 3 . 1 1 30 30 ASN N N 30 115.104 115.104 117.984 -2.880 18905 1376 1 3 . 1 1 30 30 ASN HA H 30 4.319 4.319 4.366 -0.047 18905 1377 1 3 . 1 1 30 30 ASN C C 30 172.025 172.025 173.454 -1.429 18905 1378 1 3 . 1 1 30 30 ASN CA C 30 51.550 51.550 53.947 -2.397 18905 1379 1 3 . 1 1 30 30 ASN CB C 30 35.656 35.656 37.565 -1.909 18905 1380 1 3 . 1 1 30 30 ASN H H 30 8.292 8.292 8.786 -0.494 18905 1381 1 3 . 1 1 31 31 LEU N N 31 113.394 113.394 120.063 -6.669 18905 1382 1 3 . 1 1 31 31 LEU HA H 31 3.915 3.915 4.578 -0.663 18905 1383 1 3 . 1 1 31 31 LEU C C 31 175.815 175.815 176.188 -0.373 18905 1384 1 3 . 1 1 31 31 LEU CA C 31 52.148 52.148 53.534 -1.386 18905 1385 1 3 . 1 1 31 31 LEU CB C 31 39.876 39.876 45.684 -5.808 18905 1386 1 3 . 1 1 31 31 LEU H H 31 7.602 7.602 7.487 0.116 18905 1387 1 3 . 1 1 32 32 ASN N N 32 123.357 123.357 123.008 0.349 18905 1388 1 3 . 1 1 32 32 ASN HA H 32 4.476 4.476 5.144 -0.668 18905 1389 1 3 . 1 1 32 32 ASN CA C 32 48.784 48.784 51.313 -2.529 18905 1390 1 3 . 1 1 32 32 ASN CB C 32 36.284 36.284 38.612 -2.328 18905 1391 1 3 . 1 1 32 32 ASN H H 32 9.816 9.816 8.351 1.465 18905 1392 1 3 . 1 1 33 33 PRO HA H 33 4.339 4.339 4.344 -0.005 18905 1393 1 3 . 1 1 33 33 PRO CA C 33 61.514 61.514 65.120 -3.606 18905 1394 1 3 . 1 1 33 33 PRO CB C 33 30.320 30.320 31.998 -1.678 18905 1395 1 3 . 1 1 34 34 HIS N N 34 111.187 111.187 113.917 -2.730 18905 1396 1 3 . 1 1 34 34 HIS HA H 34 4.402 4.402 4.656 -0.254 18905 1397 1 3 . 1 1 34 34 HIS CA C 34 53.125 53.125 56.164 -3.039 18905 1398 1 3 . 1 1 34 34 HIS CB C 34 25.760 25.760 30.220 -4.460 18905 1399 1 3 . 1 1 34 34 HIS H H 34 8.856 8.856 8.493 0.363 18905 1400 1 3 . 1 1 35 35 SER N N 35 118.219 118.219 116.402 1.817 18905 1401 1 3 . 1 1 35 35 SER HA H 35 4.718 4.718 4.467 0.251 18905 1402 1 3 . 1 1 35 35 SER CB C 35 60.222 60.222 64.028 -3.806 18905 1403 1 3 . 1 1 35 35 SER H H 35 8.262 8.262 7.845 0.417 18905 1404 1 3 . 1 1 36 36 THR N N 36 114.157 114.157 110.742 3.415 18905 1405 1 3 . 1 1 36 36 THR HA H 36 4.545 4.545 4.781 -0.236 18905 1406 1 3 . 1 1 36 36 THR CA C 36 56.508 56.508 59.854 -3.346 18905 1407 1 3 . 1 1 36 36 THR CB C 36 70.051 70.051 71.411 -1.360 18905 1408 1 3 . 1 1 36 36 THR H H 36 8.451 8.451 8.101 0.350 18905 1409 1 3 . 1 1 37 37 MET N N 37 119.815 119.815 121.951 -2.136 18905 1410 1 3 . 1 1 37 37 MET HA H 37 3.943 3.943 4.070 -0.127 18905 1411 1 3 . 1 1 37 37 MET CA C 37 56.204 56.204 59.232 -3.028 18905 1412 1 3 . 1 1 37 37 MET CB C 37 28.959 28.959 32.452 -3.493 18905 1413 1 3 . 1 1 37 37 MET H H 37 8.928 8.928 8.912 0.016 18905 1414 1 3 . 1 1 38 38 ASP N N 38 115.357 115.357 117.883 -2.526 18905 1415 1 3 . 1 1 38 38 ASP HA H 38 4.301 4.301 4.504 -0.203 18905 1416 1 3 . 1 1 38 38 ASP CA C 38 54.750 54.750 56.873 -2.123 18905 1417 1 3 . 1 1 38 38 ASP CB C 38 37.934 37.934 39.773 -1.839 18905 1418 1 3 . 1 1 38 38 ASP H H 38 8.096 8.096 8.877 -0.781 18905 1419 1 3 . 1 1 39 39 SER N N 39 118.933 118.933 116.404 2.529 18905 1420 1 3 . 1 1 39 39 SER HA H 39 4.253 4.253 4.201 0.052 18905 1421 1 3 . 1 1 39 39 SER C C 39 174.818 174.818 175.858 -1.040 18905 1422 1 3 . 1 1 39 39 SER CA C 39 58.767 58.767 61.378 -2.611 18905 1423 1 3 . 1 1 39 39 SER CB C 39 61.631 61.631 63.018 -1.387 18905 1424 1 3 . 1 1 39 39 SER H H 39 8.088 8.088 7.787 0.301 18905 1425 1 3 . 1 1 40 40 ILE N N 40 124.376 124.376 121.413 2.963 18905 1426 1 3 . 1 1 40 40 ILE HA H 40 3.538 3.538 3.999 -0.461 18905 1427 1 3 . 1 1 40 40 ILE C C 40 174.358 174.358 177.789 -3.431 18905 1428 1 3 . 1 1 40 40 ILE CA C 40 62.936 62.936 63.652 -0.716 18905 1429 1 3 . 1 1 40 40 ILE CB C 40 35.725 35.725 38.546 -2.821 18905 1430 1 3 . 1 1 40 40 ILE H H 40 8.009 8.009 7.752 0.257 18905 1431 1 3 . 1 1 41 41 LEU N N 41 117.914 117.914 120.499 -2.585 18905 1432 1 3 . 1 1 41 41 LEU HA H 41 3.818 3.818 3.890 -0.072 18905 1433 1 3 . 1 1 41 41 LEU C C 41 178.292 178.292 179.115 -0.823 18905 1434 1 3 . 1 1 41 41 LEU CA C 41 55.496 55.496 57.948 -2.452 18905 1435 1 3 . 1 1 41 41 LEU CB C 41 38.574 38.574 41.405 -2.831 18905 1436 1 3 . 1 1 41 41 LEU H H 41 8.574 8.574 7.557 1.017 18905 1437 1 3 . 1 1 42 42 GLY N N 42 105.053 105.053 105.038 0.015 18905 1438 1 3 . 1 1 42 42 GLY C C 42 173.318 173.318 174.939 -1.621 18905 1439 1 3 . 1 1 42 42 GLY CA C 42 44.283 44.283 46.532 -2.248 18905 1440 1 3 . 1 1 42 42 GLY H H 42 8.207 8.207 8.142 0.065 18905 1441 1 3 . 1 1 43 43 ALA N N 43 122.411 122.411 122.448 -0.037 18905 1442 1 3 . 1 1 43 43 ALA HA H 43 4.245 4.245 4.137 0.108 18905 1443 1 3 . 1 1 43 43 ALA C C 43 176.200 176.200 178.194 -1.994 18905 1444 1 3 . 1 1 43 43 ALA CA C 43 51.148 51.148 54.135 -2.987 18905 1445 1 3 . 1 1 43 43 ALA CB C 43 17.381 17.381 19.727 -2.346 18905 1446 1 3 . 1 1 43 43 ALA H H 43 7.571 7.571 7.773 -0.202 18905 1447 1 3 . 1 1 44 44 LEU N N 44 113.121 113.121 118.078 -4.957 18905 1448 1 3 . 1 1 44 44 LEU HA H 44 4.514 4.514 4.671 -0.157 18905 1449 1 3 . 1 1 44 44 LEU C C 44 174.187 174.187 178.973 -4.786 18905 1450 1 3 . 1 1 44 44 LEU CA C 44 52.247 52.247 53.518 -1.271 18905 1451 1 3 . 1 1 44 44 LEU CB C 44 40.210 40.210 40.563 -0.353 18905 1452 1 3 . 1 1 44 44 LEU H H 44 7.533 7.533 7.760 -0.227 18905 1453 1 3 . 1 1 45 45 ALA N N 45 123.574 123.574 125.120 -1.546 18905 1454 1 3 . 1 1 45 45 ALA HA H 45 4.313 4.313 4.076 0.237 18905 1455 1 3 . 1 1 45 45 ALA CA C 45 53.187 53.187 56.114 -2.927 18905 1456 1 3 . 1 1 45 45 ALA CB C 45 14.134 14.134 16.257 -2.123 18905 1457 1 3 . 1 1 45 45 ALA H H 45 7.398 7.398 8.040 -0.642 18905 1458 1 3 . 1 1 46 46 PRO HA H 46 4.043 4.043 4.307 -0.264 18905 1459 1 3 . 1 1 46 46 PRO CA C 46 61.784 61.784 64.012 -2.228 18905 1460 1 3 . 1 1 46 46 PRO CB C 46 27.999 27.999 31.612 -3.613 18905 1461 1 3 . 1 1 47 47 TYR N N 47 114.404 114.404 119.066 -4.662 18905 1462 1 3 . 1 1 47 47 TYR HA H 47 4.527 4.527 4.742 -0.215 18905 1463 1 3 . 1 1 47 47 TYR CA C 47 54.406 54.406 56.739 -2.333 18905 1464 1 3 . 1 1 47 47 TYR CB C 47 37.537 37.537 38.620 -1.083 18905 1465 1 3 . 1 1 47 47 TYR H H 47 7.897 7.897 7.646 0.251 18905 1466 1 3 . 1 1 48 48 ALA N N 48 119.845 119.845 119.674 0.171 18905 1467 1 3 . 1 1 48 48 ALA HA H 48 4.360 4.360 4.730 -0.370 18905 1468 1 3 . 1 1 48 48 ALA C C 48 171.938 171.938 175.258 -3.320 18905 1469 1 3 . 1 1 48 48 ALA CA C 48 49.129 49.129 50.625 -1.496 18905 1470 1 3 . 1 1 48 48 ALA CB C 48 19.614 19.614 21.693 -2.079 18905 1471 1 3 . 1 1 48 48 ALA H H 48 8.083 8.083 7.335 0.748 18905 1472 1 3 . 1 1 49 49 VAL N N 49 122.528 122.528 121.488 1.040 18905 1473 1 3 . 1 1 49 49 VAL HA H 49 3.904 3.904 4.426 -0.522 18905 1474 1 3 . 1 1 49 49 VAL C C 49 172.490 172.490 174.360 -1.870 18905 1475 1 3 . 1 1 49 49 VAL CA C 49 60.373 60.373 61.996 -1.623 18905 1476 1 3 . 1 1 49 49 VAL CB C 49 28.257 28.257 31.195 -2.938 18905 1477 1 3 . 1 1 49 49 VAL H H 49 8.414 8.414 8.609 -0.195 18905 1478 1 3 . 1 1 50 50 LEU N N 50 127.924 127.924 122.247 5.677 18905 1479 1 3 . 1 1 50 50 LEU HA H 50 4.650 4.650 5.043 -0.393 18905 1480 1 3 . 1 1 50 50 LEU C C 50 172.488 172.488 174.879 -2.391 18905 1481 1 3 . 1 1 50 50 LEU CA C 50 50.523 50.523 53.387 -2.864 18905 1482 1 3 . 1 1 50 50 LEU CB C 50 42.647 42.647 44.434 -1.786 18905 1483 1 3 . 1 1 50 50 LEU H H 50 7.904 7.904 7.690 0.214 18905 1484 1 3 . 1 1 51 51 SER N N 51 114.999 114.999 114.454 0.545 18905 1485 1 3 . 1 1 51 51 SER HA H 51 4.783 4.783 4.902 -0.119 18905 1486 1 3 . 1 1 51 51 SER C C 51 172.827 172.827 175.395 -2.568 18905 1487 1 3 . 1 1 51 51 SER CA C 51 53.708 53.708 56.629 -2.921 18905 1488 1 3 . 1 1 51 51 SER CB C 51 63.424 63.424 65.975 -2.551 18905 1489 1 3 . 1 1 51 51 SER H H 51 8.623 8.623 9.062 -0.439 18905 1490 1 3 . 1 1 52 52 SER N N 52 118.355 118.355 117.507 0.848 18905 1491 1 3 . 1 1 52 52 SER HA H 52 4.301 4.301 4.234 0.067 18905 1492 1 3 . 1 1 52 52 SER C C 52 173.242 173.242 175.485 -2.243 18905 1493 1 3 . 1 1 52 52 SER CA C 52 58.709 58.709 60.246 -1.537 18905 1494 1 3 . 1 1 52 52 SER CB C 52 59.826 59.826 63.210 -3.384 18905 1495 1 3 . 1 1 52 52 SER H H 52 9.117 9.117 8.839 0.278 18905 1496 1 3 . 1 1 53 53 SER N N 53 114.926 114.926 116.684 -1.758 18905 1497 1 3 . 1 1 53 53 SER HA H 53 4.292 4.292 4.215 0.077 18905 1498 1 3 . 1 1 53 53 SER CA C 53 57.882 57.882 60.897 -3.015 18905 1499 1 3 . 1 1 53 53 SER CB C 53 60.220 60.220 63.269 -3.049 18905 1500 1 3 . 1 1 53 53 SER H H 53 8.014 8.014 8.256 -0.242 18905 1501 1 3 . 1 1 54 54 ASN N N 54 116.432 116.432 119.511 -3.079 18905 1502 1 3 . 1 1 54 54 ASN HA H 54 4.914 4.914 4.626 0.288 18905 1503 1 3 . 1 1 54 54 ASN C C 54 170.744 170.744 175.660 -4.916 18905 1504 1 3 . 1 1 54 54 ASN CA C 54 52.054 52.054 55.276 -3.222 18905 1505 1 3 . 1 1 54 54 ASN CB C 54 38.952 38.952 39.072 -0.120 18905 1506 1 3 . 1 1 54 54 ASN H H 54 7.996 7.996 7.693 0.303 18905 1507 1 3 . 1 1 55 55 VAL N N 55 118.877 118.877 121.401 -2.524 18905 1508 1 3 . 1 1 55 55 VAL HA H 55 4.891 4.891 4.127 0.764 18905 1509 1 3 . 1 1 55 55 VAL C C 55 171.238 171.238 175.254 -4.016 18905 1510 1 3 . 1 1 55 55 VAL CA C 55 58.709 58.709 63.370 -4.661 18905 1511 1 3 . 1 1 55 55 VAL CB C 55 31.652 31.652 31.124 0.528 18905 1512 1 3 . 1 1 55 55 VAL H H 55 7.421 7.421 7.290 0.131 18905 1513 1 3 . 1 1 56 56 ARG N N 56 125.757 125.757 129.119 -3.362 18905 1514 1 3 . 1 1 56 56 ARG HA H 56 4.708 4.708 4.476 0.232 18905 1515 1 3 . 1 1 56 56 ARG C C 56 172.321 172.321 174.889 -2.568 18905 1516 1 3 . 1 1 56 56 ARG CA C 56 51.878 51.878 54.678 -2.800 18905 1517 1 3 . 1 1 56 56 ARG CB C 56 30.211 30.211 32.326 -2.115 18905 1518 1 3 . 1 1 56 56 ARG H H 56 9.011 9.011 8.529 0.482 18905 1519 1 3 . 1 1 57 57 VAL N N 57 125.646 125.646 125.359 0.287 18905 1520 1 3 . 1 1 57 57 VAL HA H 57 3.878 3.878 4.215 -0.337 18905 1521 1 3 . 1 1 57 57 VAL C C 57 172.129 172.129 174.305 -2.176 18905 1522 1 3 . 1 1 57 57 VAL CA C 57 59.043 59.043 60.535 -1.492 18905 1523 1 3 . 1 1 57 57 VAL CB C 57 30.019 30.019 33.951 -3.932 18905 1524 1 3 . 1 1 57 57 VAL H H 57 8.794 8.794 8.561 0.233 18905 1525 1 3 . 1 1 58 58 ILE N N 58 127.547 127.547 128.290 -0.743 18905 1526 1 3 . 1 1 58 58 ILE HA H 58 4.049 4.049 4.047 0.002 18905 1527 1 3 . 1 1 58 58 ILE C C 58 172.672 172.672 175.347 -2.675 18905 1528 1 3 . 1 1 58 58 ILE CA C 58 57.246 57.246 60.305 -3.059 18905 1529 1 3 . 1 1 58 58 ILE CB C 58 32.839 32.839 36.258 -3.420 18905 1530 1 3 . 1 1 58 58 ILE H H 58 7.259 7.259 8.416 -1.157 18905 1531 1 3 . 1 1 59 59 LYS N N 59 127.231 127.231 126.040 1.191 18905 1532 1 3 . 1 1 59 59 LYS HA H 59 4.532 4.532 4.581 -0.049 18905 1533 1 3 . 1 1 59 59 LYS C C 59 173.119 173.119 175.419 -2.300 18905 1534 1 3 . 1 1 59 59 LYS CA C 59 52.444 52.444 54.422 -1.978 18905 1535 1 3 . 1 1 59 59 LYS CB C 59 32.374 32.374 35.086 -2.712 18905 1536 1 3 . 1 1 59 59 LYS H H 59 8.571 8.571 8.195 0.376 18905 1537 1 3 . 1 1 60 60 ASP N N 60 123.232 123.232 121.787 1.445 18905 1538 1 3 . 1 1 60 60 ASP HA H 60 4.496 4.496 4.573 -0.077 18905 1539 1 3 . 1 1 60 60 ASP C C 60 174.118 174.118 176.267 -2.149 18905 1540 1 3 . 1 1 60 60 ASP CA C 60 50.786 50.786 54.454 -3.668 18905 1541 1 3 . 1 1 60 60 ASP CB C 60 40.058 40.058 41.724 -1.666 18905 1542 1 3 . 1 1 60 60 ASP H H 60 8.527 8.527 8.552 -0.025 18905 1543 1 3 . 1 1 61 61 LYS N N 61 125.977 125.977 123.874 2.103 18905 1544 1 3 . 1 1 61 61 LYS HA H 61 3.918 3.918 4.247 -0.329 18905 1545 1 3 . 1 1 61 61 LYS C C 61 174.696 174.696 177.245 -2.549 18905 1546 1 3 . 1 1 61 61 LYS CA C 61 56.017 56.017 58.273 -2.256 18905 1547 1 3 . 1 1 61 61 LYS CB C 61 29.813 29.813 32.474 -2.661 18905 1548 1 3 . 1 1 61 61 LYS H H 61 8.770 8.770 8.662 0.108 18905 1549 1 3 . 1 1 62 62 GLN N N 62 116.732 116.732 118.781 -2.049 18905 1550 1 3 . 1 1 62 62 GLN HA H 62 4.252 4.252 4.116 0.136 18905 1551 1 3 . 1 1 62 62 GLN C C 62 174.793 174.793 176.929 -2.136 18905 1552 1 3 . 1 1 62 62 GLN CA C 62 55.001 55.001 57.742 -2.740 18905 1553 1 3 . 1 1 62 62 GLN CB C 62 26.516 26.516 29.124 -2.608 18905 1554 1 3 . 1 1 62 62 GLN H H 62 8.538 8.538 8.966 -0.428 18905 1555 1 3 . 1 1 63 63 THR N N 63 108.519 108.519 111.102 -2.583 18905 1556 1 3 . 1 1 63 63 THR HA H 63 4.265 4.265 4.546 -0.281 18905 1557 1 3 . 1 1 63 63 THR CA C 63 59.302 59.302 60.253 -0.951 18905 1558 1 3 . 1 1 63 63 THR CB C 63 67.891 67.891 70.820 -2.929 18905 1559 1 3 . 1 1 63 63 THR H H 63 7.882 7.882 8.243 -0.361 18905 1560 1 3 . 1 1 64 64 GLN N N 64 113.890 113.890 119.354 -5.464 18905 1561 1 3 . 1 1 64 64 GLN HA H 64 3.829 3.829 4.646 -0.817 18905 1562 1 3 . 1 1 64 64 GLN C C 64 172.129 172.129 174.630 -2.501 18905 1563 1 3 . 1 1 64 64 GLN CA C 64 54.560 54.560 55.048 -0.488 18905 1564 1 3 . 1 1 64 64 GLN CB C 64 23.812 23.812 28.415 -4.603 18905 1565 1 3 . 1 1 64 64 GLN H H 64 8.188 8.188 8.524 -0.336 18905 1566 1 3 . 1 1 65 65 LEU N N 65 119.516 119.516 120.416 -0.900 18905 1567 1 3 . 1 1 65 65 LEU HA H 65 4.463 4.463 4.848 -0.385 18905 1568 1 3 . 1 1 65 65 LEU C C 65 174.174 174.174 175.512 -1.338 18905 1569 1 3 . 1 1 65 65 LEU CA C 65 51.024 51.024 53.082 -2.058 18905 1570 1 3 . 1 1 65 65 LEU CB C 65 39.608 39.608 45.695 -6.087 18905 1571 1 3 . 1 1 65 65 LEU H H 65 7.682 7.682 7.757 -0.075 18905 1572 1 3 . 1 1 66 66 ASN N N 66 117.776 117.776 118.752 -0.976 18905 1573 1 3 . 1 1 66 66 ASN HA H 66 4.958 4.958 4.916 0.042 18905 1574 1 3 . 1 1 66 66 ASN C C 66 171.913 171.913 175.847 -3.934 18905 1575 1 3 . 1 1 66 66 ASN CA C 66 50.440 50.440 53.278 -2.837 18905 1576 1 3 . 1 1 66 66 ASN CB C 66 36.771 36.771 39.654 -2.883 18905 1577 1 3 . 1 1 66 66 ASN H H 66 8.771 8.771 8.117 0.654 18905 1578 1 3 . 1 1 67 67 ARG N N 67 117.508 117.508 120.593 -3.085 18905 1579 1 3 . 1 1 67 67 ARG HA H 67 4.193 4.193 4.560 -0.367 18905 1580 1 3 . 1 1 67 67 ARG CA C 67 53.615 53.615 55.786 -2.171 18905 1581 1 3 . 1 1 67 67 ARG CB C 67 28.137 28.137 30.780 -2.643 18905 1582 1 3 . 1 1 67 67 ARG H H 67 8.313 8.313 8.156 0.157 18905 1583 1 3 . 1 1 68 68 GLY N N 68 107.904 107.904 105.908 1.996 18905 1584 1 3 . 1 1 68 68 GLY CA C 68 42.842 42.842 45.040 -2.198 18905 1585 1 3 . 1 1 68 68 GLY H H 68 9.437 9.437 8.660 0.777 18905 1586 1 3 . 1 1 69 69 PHE N N 69 113.804 113.804 115.955 -2.151 18905 1587 1 3 . 1 1 69 69 PHE HA H 69 5.754 5.754 5.408 0.346 18905 1588 1 3 . 1 1 69 69 PHE C C 69 170.151 170.151 172.721 -2.570 18905 1589 1 3 . 1 1 69 69 PHE CA C 69 51.625 51.625 54.825 -3.200 18905 1590 1 3 . 1 1 69 69 PHE CB C 69 39.587 39.587 41.125 -1.538 18905 1591 1 3 . 1 1 69 69 PHE H H 69 6.750 6.750 7.508 -0.758 18905 1592 1 3 . 1 1 70 70 ALA N N 70 118.965 118.965 119.129 -0.164 18905 1593 1 3 . 1 1 70 70 ALA HA H 70 4.807 4.807 4.160 0.647 18905 1594 1 3 . 1 1 70 70 ALA C C 70 171.693 171.693 174.389 -2.696 18905 1595 1 3 . 1 1 70 70 ALA CA C 70 47.155 47.155 51.278 -4.123 18905 1596 1 3 . 1 1 70 70 ALA CB C 70 21.153 21.153 21.742 -0.589 18905 1597 1 3 . 1 1 70 70 ALA H H 70 8.526 8.526 7.817 0.709 18905 1598 1 3 . 1 1 71 71 PHE N N 71 117.469 117.469 117.045 0.424 18905 1599 1 3 . 1 1 71 71 PHE HA H 71 5.537 5.537 5.416 0.121 18905 1600 1 3 . 1 1 71 71 PHE C C 71 172.630 172.630 174.444 -1.814 18905 1601 1 3 . 1 1 71 71 PHE CA C 71 52.609 52.609 56.556 -3.947 18905 1602 1 3 . 1 1 71 71 PHE CB C 71 39.675 39.675 44.571 -4.896 18905 1603 1 3 . 1 1 71 71 PHE H H 71 8.824 8.824 8.512 0.312 18905 1604 1 3 . 1 1 72 72 ILE N N 72 122.867 122.867 120.925 1.942 18905 1605 1 3 . 1 1 72 72 ILE HA H 72 5.022 5.022 4.661 0.361 18905 1606 1 3 . 1 1 72 72 ILE CA C 72 56.881 56.881 60.578 -3.696 18905 1607 1 3 . 1 1 72 72 ILE CB C 72 37.031 37.031 41.362 -4.331 18905 1608 1 3 . 1 1 72 72 ILE H H 72 9.555 9.555 9.208 0.347 18905 1609 1 3 . 1 1 73 73 GLN N N 73 128.422 128.422 127.626 0.796 18905 1610 1 3 . 1 1 73 73 GLN HA H 73 5.170 5.170 4.314 0.856 18905 1611 1 3 . 1 1 73 73 GLN CA C 73 52.252 52.252 56.755 -4.503 18905 1612 1 3 . 1 1 73 73 GLN CB C 73 28.291 28.291 29.505 -1.214 18905 1613 1 3 . 1 1 73 73 GLN H H 73 8.964 8.964 8.184 0.780 18905 1614 1 3 . 1 1 74 74 LEU N N 74 126.707 126.707 125.145 1.562 18905 1615 1 3 . 1 1 74 74 LEU HA H 74 4.789 4.789 4.687 0.102 18905 1616 1 3 . 1 1 74 74 LEU CA C 74 50.617 50.617 54.311 -3.694 18905 1617 1 3 . 1 1 74 74 LEU CB C 74 44.885 44.885 45.655 -0.770 18905 1618 1 3 . 1 1 74 74 LEU H H 74 8.420 8.420 8.292 0.128 18905 1619 1 3 . 1 1 75 75 SER HA H 75 4.284 4.284 4.849 -0.565 18905 1620 1 3 . 1 1 75 75 SER CA C 75 55.390 55.390 56.608 -1.218 18905 1621 1 3 . 1 1 75 75 SER CB C 75 61.275 61.275 65.245 -3.970 18905 1622 1 3 . 1 1 76 76 THR N N 76 116.193 116.193 117.364 -1.171 18905 1623 1 3 . 1 1 76 76 THR HA H 76 3.994 3.994 4.152 -0.158 18905 1624 1 3 . 1 1 76 76 THR C C 76 174.630 174.630 176.468 -1.838 18905 1625 1 3 . 1 1 76 76 THR CA C 76 64.225 64.225 65.675 -1.450 18905 1626 1 3 . 1 1 76 76 THR CB C 76 66.003 66.003 68.675 -2.672 18905 1627 1 3 . 1 1 76 76 THR H H 76 8.614 8.614 8.549 0.065 18905 1628 1 3 . 1 1 77 77 ILE N N 77 120.400 120.400 119.301 1.099 18905 1629 1 3 . 1 1 77 77 ILE HA H 77 3.911 3.911 3.916 -0.005 18905 1630 1 3 . 1 1 77 77 ILE C C 77 175.577 175.577 177.221 -1.644 18905 1631 1 3 . 1 1 77 77 ILE CA C 77 61.264 61.264 64.114 -2.850 18905 1632 1 3 . 1 1 77 77 ILE CB C 77 35.379 35.379 37.606 -2.227 18905 1633 1 3 . 1 1 77 77 ILE H H 77 8.044 8.044 8.088 -0.044 18905 1634 1 3 . 1 1 78 78 GLU N N 78 120.562 120.562 118.933 1.629 18905 1635 1 3 . 1 1 78 78 GLU HA H 78 4.062 4.062 4.073 -0.011 18905 1636 1 3 . 1 1 78 78 GLU C C 78 176.596 176.596 178.211 -1.615 18905 1637 1 3 . 1 1 78 78 GLU CA C 78 56.355 56.355 59.222 -2.867 18905 1638 1 3 . 1 1 78 78 GLU CB C 78 27.668 27.668 29.605 -1.937 18905 1639 1 3 . 1 1 78 78 GLU H H 78 7.548 7.548 8.038 -0.490 18905 1640 1 3 . 1 1 79 79 ALA N N 79 122.789 122.789 122.239 0.550 18905 1641 1 3 . 1 1 79 79 ALA HA H 79 3.923 3.923 4.199 -0.276 18905 1642 1 3 . 1 1 79 79 ALA C C 79 175.736 175.736 179.232 -3.496 18905 1643 1 3 . 1 1 79 79 ALA CA C 79 52.649 52.649 55.136 -2.487 18905 1644 1 3 . 1 1 79 79 ALA CB C 79 15.305 15.305 18.333 -3.028 18905 1645 1 3 . 1 1 79 79 ALA H H 79 9.279 9.279 8.277 1.002 18905 1646 1 3 . 1 1 80 80 ALA N N 80 118.643 118.643 118.584 0.059 18905 1647 1 3 . 1 1 80 80 ALA HA H 80 4.001 4.001 4.264 -0.263 18905 1648 1 3 . 1 1 80 80 ALA C C 80 177.943 177.943 177.998 -0.055 18905 1649 1 3 . 1 1 80 80 ALA CA C 80 52.521 52.521 53.964 -1.443 18905 1650 1 3 . 1 1 80 80 ALA CB C 80 15.281 15.281 18.308 -3.027 18905 1651 1 3 . 1 1 80 80 ALA H H 80 7.688 7.688 7.879 -0.191 18905 1652 1 3 . 1 1 81 81 GLN N N 81 116.877 116.877 116.419 0.458 18905 1653 1 3 . 1 1 81 81 GLN HA H 81 4.015 4.015 4.360 -0.345 18905 1654 1 3 . 1 1 81 81 GLN CA C 81 55.760 55.760 56.206 -0.446 18905 1655 1 3 . 1 1 81 81 GLN CB C 81 25.786 25.786 29.616 -3.830 18905 1656 1 3 . 1 1 81 81 GLN H H 81 7.593 7.593 7.484 0.109 18905 1657 1 3 . 1 1 82 82 LEU N N 82 119.946 119.946 124.103 -4.157 18905 1658 1 3 . 1 1 82 82 LEU HA H 82 4.121 4.121 4.048 0.073 18905 1659 1 3 . 1 1 82 82 LEU C C 82 175.358 175.358 178.179 -2.821 18905 1660 1 3 . 1 1 82 82 LEU CA C 82 54.781 54.781 57.670 -2.889 18905 1661 1 3 . 1 1 82 82 LEU CB C 82 38.240 38.240 41.806 -3.566 18905 1662 1 3 . 1 1 82 82 LEU H H 82 8.258 8.258 8.391 -0.133 18905 1663 1 3 . 1 1 83 83 LEU N N 83 119.288 119.288 118.949 0.339 18905 1664 1 3 . 1 1 83 83 LEU HA H 83 3.585 3.585 3.788 -0.203 18905 1665 1 3 . 1 1 83 83 LEU C C 83 175.365 175.365 178.398 -3.033 18905 1666 1 3 . 1 1 83 83 LEU CA C 83 56.142 56.142 58.109 -1.967 18905 1667 1 3 . 1 1 83 83 LEU CB C 83 38.875 38.875 41.530 -2.655 18905 1668 1 3 . 1 1 83 83 LEU H H 83 8.407 8.407 7.536 0.871 18905 1669 1 3 . 1 1 84 84 GLN N N 84 115.391 115.391 117.992 -2.601 18905 1670 1 3 . 1 1 84 84 GLN HA H 84 3.878 3.878 3.953 -0.075 18905 1671 1 3 . 1 1 84 84 GLN C C 84 176.472 176.472 179.051 -2.579 18905 1672 1 3 . 1 1 84 84 GLN CA C 84 56.142 56.142 58.666 -2.523 18905 1673 1 3 . 1 1 84 84 GLN CB C 84 25.733 25.733 28.641 -2.908 18905 1674 1 3 . 1 1 84 84 GLN H H 84 7.347 7.347 7.714 -0.367 18905 1675 1 3 . 1 1 85 85 ILE N N 85 119.593 119.593 121.674 -2.081 18905 1676 1 3 . 1 1 85 85 ILE HA H 85 3.607 3.607 3.578 0.029 18905 1677 1 3 . 1 1 85 85 ILE CA C 85 61.779 61.779 64.967 -3.188 18905 1678 1 3 . 1 1 85 85 ILE CB C 85 35.948 35.948 37.678 -1.730 18905 1679 1 3 . 1 1 85 85 ILE H H 85 7.650 7.650 7.465 0.185 18905 1680 1 3 . 1 1 86 86 LEU N N 86 116.537 116.537 117.729 -1.192 18905 1681 1 3 . 1 1 86 86 LEU HA H 86 3.757 3.757 4.038 -0.281 18905 1682 1 3 . 1 1 86 86 LEU C C 86 177.610 177.610 179.273 -1.663 18905 1683 1 3 . 1 1 86 86 LEU CA C 86 54.521 54.521 57.519 -2.998 18905 1684 1 3 . 1 1 86 86 LEU CB C 86 39.226 39.226 40.998 -1.772 18905 1685 1 3 . 1 1 86 86 LEU H H 86 8.410 8.410 8.164 0.246 18905 1686 1 3 . 1 1 87 87 GLN N N 87 115.959 115.959 116.768 -0.809 18905 1687 1 3 . 1 1 87 87 GLN HA H 87 4.009 4.009 4.174 -0.165 18905 1688 1 3 . 1 1 87 87 GLN C C 87 174.156 174.156 177.070 -2.914 18905 1689 1 3 . 1 1 87 87 GLN CA C 87 55.735 55.735 57.249 -1.514 18905 1690 1 3 . 1 1 87 87 GLN CB C 87 25.516 25.516 27.922 -2.406 18905 1691 1 3 . 1 1 87 87 GLN H H 87 8.406 8.406 7.556 0.850 18905 1692 1 3 . 1 1 88 88 ALA N N 88 120.044 120.044 121.270 -1.226 18905 1693 1 3 . 1 1 88 88 ALA HA H 88 4.338 4.338 4.315 0.023 18905 1694 1 3 . 1 1 88 88 ALA C C 88 174.373 174.373 177.089 -2.716 18905 1695 1 3 . 1 1 88 88 ALA CA C 88 48.933 48.933 53.254 -4.321 18905 1696 1 3 . 1 1 88 88 ALA CB C 88 16.681 16.681 19.887 -3.206 18905 1697 1 3 . 1 1 88 88 ALA H H 88 7.110 7.110 7.798 -0.688 18905 1698 1 3 . 1 1 89 89 LEU N N 89 119.696 119.696 115.602 4.094 18905 1699 1 3 . 1 1 89 89 LEU HA H 89 3.929 3.929 4.759 -0.830 18905 1700 1 3 . 1 1 89 89 LEU C C 89 175.387 175.387 175.706 -0.319 18905 1701 1 3 . 1 1 89 89 LEU CA C 89 53.364 53.364 54.368 -1.004 18905 1702 1 3 . 1 1 89 89 LEU CB C 89 39.775 39.775 43.834 -4.059 18905 1703 1 3 . 1 1 89 89 LEU H H 89 6.693 6.693 7.239 -0.546 18905 1704 1 3 . 1 1 90 90 HIS N N 90 120.136 120.136 119.751 0.385 18905 1705 1 3 . 1 1 90 90 HIS HA H 90 4.419 4.419 4.907 -0.488 18905 1706 1 3 . 1 1 90 90 HIS CA C 90 50.226 50.226 53.301 -3.075 18905 1707 1 3 . 1 1 90 90 HIS CB C 90 27.853 27.853 29.962 -2.109 18905 1708 1 3 . 1 1 90 90 HIS H H 90 8.299 8.299 8.406 -0.107 18905 1709 1 3 . 1 1 91 91 PRO HA H 91 4.367 4.367 4.732 -0.365 18905 1710 1 3 . 1 1 91 91 PRO CA C 91 60.550 60.550 61.468 -0.918 18905 1711 1 3 . 1 1 91 91 PRO CB C 91 29.416 29.416 31.937 -2.521 18905 1712 1 3 . 1 1 92 92 PRO HA H 92 4.815 4.815 4.468 0.347 18905 1713 1 3 . 1 1 92 92 PRO CA C 92 59.812 59.812 63.400 -3.588 18905 1714 1 3 . 1 1 92 92 PRO CB C 92 30.119 30.119 32.037 -1.918 18905 1715 1 3 . 1 1 93 93 LEU N N 93 121.469 121.469 120.489 0.980 18905 1716 1 3 . 1 1 93 93 LEU HA H 93 3.954 3.954 4.608 -0.654 18905 1717 1 3 . 1 1 93 93 LEU CA C 93 53.500 53.500 54.808 -1.308 18905 1718 1 3 . 1 1 93 93 LEU CB C 93 39.889 39.889 44.697 -4.808 18905 1719 1 3 . 1 1 93 93 LEU H H 93 8.404 8.404 7.695 0.709 18905 1720 1 3 . 1 1 94 94 THR HA H 94 5.276 5.276 4.801 0.475 18905 1721 1 3 . 1 1 94 94 THR CA C 94 57.077 57.077 61.331 -4.253 18905 1722 1 3 . 1 1 94 94 THR CB C 94 69.076 69.076 69.585 -0.509 18905 1723 1 3 . 1 1 95 95 ILE N N 95 121.239 121.239 124.751 -3.512 18905 1724 1 3 . 1 1 95 95 ILE HA H 95 4.184 4.184 3.993 0.191 18905 1725 1 3 . 1 1 95 95 ILE CA C 95 58.054 58.054 62.100 -4.046 18905 1726 1 3 . 1 1 95 95 ILE CB C 95 37.534 37.534 38.902 -1.368 18905 1727 1 3 . 1 1 95 95 ILE H H 95 8.317 8.317 8.409 -0.092 18905 1728 1 3 . 1 1 96 96 ASP N N 96 130.909 130.909 127.135 3.774 18905 1729 1 3 . 1 1 96 96 ASP HA H 96 4.292 4.292 4.208 0.084 18905 1730 1 3 . 1 1 96 96 ASP CA C 96 53.001 53.001 55.057 -2.057 18905 1731 1 3 . 1 1 96 96 ASP CB C 96 37.114 37.114 40.268 -3.154 18905 1732 1 3 . 1 1 96 96 ASP H H 96 9.837 9.837 8.939 0.898 18905 1733 1 3 . 1 1 97 97 GLY N N 97 102.578 102.578 105.867 -3.289 18905 1734 1 3 . 1 1 97 97 GLY C C 97 170.992 170.992 173.479 -2.487 18905 1735 1 3 . 1 1 97 97 GLY CA C 97 42.754 42.754 45.530 -2.776 18905 1736 1 3 . 1 1 97 97 GLY H H 97 8.638 8.638 8.287 0.351 18905 1737 1 3 . 1 1 98 98 LYS N N 98 120.330 120.330 119.455 0.875 18905 1738 1 3 . 1 1 98 98 LYS HA H 98 4.629 4.629 4.748 -0.119 18905 1739 1 3 . 1 1 98 98 LYS C C 98 172.675 172.675 175.270 -2.595 18905 1740 1 3 . 1 1 98 98 LYS CA C 98 50.304 50.304 54.404 -4.100 18905 1741 1 3 . 1 1 98 98 LYS CB C 98 31.136 31.136 34.693 -3.557 18905 1742 1 3 . 1 1 98 98 LYS H H 98 7.440 7.440 7.993 -0.553 18905 1743 1 3 . 1 1 99 99 THR N N 99 119.612 119.612 111.399 8.213 18905 1744 1 3 . 1 1 99 99 THR HA H 99 4.356 4.356 4.517 -0.161 18905 1745 1 3 . 1 1 99 99 THR C C 99 171.511 171.511 173.329 -1.818 18905 1746 1 3 . 1 1 99 99 THR CA C 99 60.382 60.382 59.521 0.861 18905 1747 1 3 . 1 1 99 99 THR CB C 99 65.967 65.967 71.310 -5.343 18905 1748 1 3 . 1 1 99 99 THR H H 99 8.626 8.626 8.231 0.395 18905 1749 1 3 . 1 1 100 100 ILE N N 100 129.389 129.389 119.749 9.640 18905 1750 1 3 . 1 1 100 100 ILE HA H 100 4.358 4.358 4.590 -0.232 18905 1751 1 3 . 1 1 100 100 ILE C C 100 172.710 172.710 175.803 -3.093 18905 1752 1 3 . 1 1 100 100 ILE CA C 100 55.202 55.202 58.214 -3.012 18905 1753 1 3 . 1 1 100 100 ILE CB C 100 34.925 34.925 37.761 -2.836 18905 1754 1 3 . 1 1 100 100 ILE H H 100 8.463 8.463 8.266 0.197 18905 1755 1 3 . 1 1 101 101 ASN N N 101 123.767 123.767 125.139 -1.372 18905 1756 1 3 . 1 1 101 101 ASN HA H 101 4.904 4.904 4.685 0.219 18905 1757 1 3 . 1 1 101 101 ASN C C 101 170.860 170.860 175.060 -4.200 18905 1758 1 3 . 1 1 101 101 ASN CA C 101 49.884 49.884 53.484 -3.600 18905 1759 1 3 . 1 1 101 101 ASN CB C 101 38.364 38.364 39.928 -1.564 18905 1760 1 3 . 1 1 101 101 ASN H H 101 7.878 7.878 8.432 -0.554 18905 1761 1 3 . 1 1 102 102 VAL N N 102 122.207 122.207 120.423 1.784 18905 1762 1 3 . 1 1 102 102 VAL HA H 102 4.933 4.933 4.192 0.741 18905 1763 1 3 . 1 1 102 102 VAL C C 102 175.222 175.222 174.770 0.452 18905 1764 1 3 . 1 1 102 102 VAL CA C 102 57.981 57.981 62.341 -4.360 18905 1765 1 3 . 1 1 102 102 VAL CB C 102 31.183 31.183 33.073 -1.890 18905 1766 1 3 . 1 1 102 102 VAL H H 102 8.503 8.503 8.466 0.037 18905 1767 1 3 . 1 1 103 103 GLU N N 103 124.079 124.079 126.942 -2.863 18905 1768 1 3 . 1 1 103 103 GLU HA H 103 4.557 4.557 4.656 -0.099 18905 1769 1 3 . 1 1 103 103 GLU CA C 103 51.772 51.772 55.856 -4.084 18905 1770 1 3 . 1 1 103 103 GLU CB C 103 31.226 31.226 33.306 -2.080 18905 1771 1 3 . 1 1 103 103 GLU H H 103 8.627 8.627 8.676 -0.049 18905 1772 1 3 . 1 1 104 104 PHE N N 104 121.287 121.287 116.751 4.536 18905 1773 1 3 . 1 1 104 104 PHE HA H 104 5.047 5.047 5.013 0.034 18905 1774 1 3 . 1 1 104 104 PHE C C 104 173.023 173.023 173.747 -0.724 18905 1775 1 3 . 1 1 104 104 PHE CA C 104 55.305 55.305 54.233 1.073 18905 1776 1 3 . 1 1 104 104 PHE CB C 104 38.342 38.342 41.707 -3.365 18905 1777 1 3 . 1 1 104 104 PHE H H 104 8.778 8.778 8.843 -0.065 18905 1778 1 3 . 1 1 105 105 ALA N N 105 127.703 127.703 123.671 4.032 18905 1779 1 3 . 1 1 105 105 ALA HA H 105 4.278 4.278 4.533 -0.255 18905 1780 1 3 . 1 1 105 105 ALA C C 105 172.939 172.939 176.082 -3.143 18905 1781 1 3 . 1 1 105 105 ALA CA C 105 48.936 48.936 51.142 -2.206 18905 1782 1 3 . 1 1 105 105 ALA CB C 105 17.822 17.822 19.991 -2.169 18905 1783 1 3 . 1 1 105 105 ALA H H 105 8.630 8.630 8.624 0.006 18905 1784 1 3 . 1 1 106 106 LYS N N 106 121.259 121.259 121.520 -0.261 18905 1785 1 3 . 1 1 106 106 LYS HA H 106 4.211 4.211 4.294 -0.083 18905 1786 1 3 . 1 1 106 106 LYS C C 106 174.939 174.939 176.622 -1.683 18905 1787 1 3 . 1 1 106 106 LYS CA C 106 52.995 52.995 55.918 -2.923 18905 1788 1 3 . 1 1 106 106 LYS CB C 106 30.290 30.290 33.554 -3.264 18905 1789 1 3 . 1 1 106 106 LYS H H 106 8.289 8.289 7.625 0.664 18905 1790 1 3 . 1 1 107 107 GLY N N 107 111.965 111.965 106.579 5.386 18905 1791 1 3 . 1 1 107 107 GLY C C 107 171.215 171.215 173.245 -2.030 18905 1792 1 3 . 1 1 107 107 GLY CA C 107 42.651 42.651 45.813 -3.162 18905 1793 1 3 . 1 1 107 107 GLY H H 107 8.921 8.921 8.492 0.429 18905 1794 1 3 . 1 1 108 108 SER N N 108 114.479 114.479 116.278 -1.799 18905 1795 1 3 . 1 1 108 108 SER HA H 108 4.294 4.294 4.842 -0.548 18905 1796 1 3 . 1 1 108 108 SER C C 108 172.040 172.040 173.044 -1.004 18905 1797 1 3 . 1 1 108 108 SER CA C 108 55.336 55.336 57.054 -1.718 18905 1798 1 3 . 1 1 108 108 SER H H 108 8.197 8.197 8.031 0.166 18905 1799 1 3 . 1 1 109 109 LYS N N 109 123.374 123.374 118.561 4.813 18905 1800 1 3 . 1 1 109 109 LYS HA H 109 4.198 4.198 4.728 -0.530 18905 1801 1 3 . 1 1 109 109 LYS C C 109 173.967 173.967 176.575 -2.608 18905 1802 1 3 . 1 1 109 109 LYS CA C 109 53.730 53.730 55.947 -2.217 18905 1803 1 3 . 1 1 109 109 LYS CB C 109 30.137 30.137 31.678 -1.541 18905 1804 1 3 . 1 1 109 109 LYS H H 109 8.306 8.306 8.498 -0.192 18905 1805 1 3 . 1 1 110 110 ARG N N 110 134.189 134.189 118.600 15.589 18905 1806 1 3 . 1 1 110 110 ARG HA H 110 4.542 4.542 4.495 0.047 18905 1807 1 3 . 1 1 110 110 ARG C C 110 173.119 173.119 176.121 -3.002 18905 1808 1 3 . 1 1 110 110 ARG CA C 110 52.474 52.474 55.949 -3.474 18905 1809 1 3 . 1 1 110 110 ARG CB C 110 32.296 32.296 30.560 1.736 18905 1810 1 3 . 1 1 111 111 ASP N N 111 123.210 123.210 122.060 1.150 18905 1811 1 3 . 1 1 111 111 ASP HA H 111 4.519 4.519 4.614 -0.095 18905 1812 1 3 . 1 1 111 111 ASP C C 111 174.187 174.187 175.510 -1.323 18905 1813 1 3 . 1 1 111 111 ASP CA C 111 52.307 52.307 54.707 -2.400 18905 1814 1 3 . 1 1 111 111 ASP CB C 111 40.206 40.206 41.642 -1.436 18905 1815 1 3 . 1 1 111 111 ASP H H 111 8.523 8.523 8.289 0.234 18905 1816 1 3 . 1 1 112 112 MET HA H 112 4.330 4.330 4.636 -0.306 18905 1817 1 3 . 1 1 112 112 MET CA C 112 53.074 53.074 55.236 -2.162 18905 1818 1 3 . 1 1 112 112 MET CB C 112 30.057 30.057 33.759 -3.702 18905 1819 1 3 . 1 1 113 113 ALA N N 113 124.061 124.061 127.380 -3.319 18905 1820 1 3 . 1 1 113 113 ALA HA H 113 4.229 4.229 5.252 -1.023 18905 1821 1 3 . 1 1 113 113 ALA C C 113 175.243 175.243 175.954 -0.711 18905 1822 1 3 . 1 1 113 113 ALA CA C 113 49.967 49.967 51.722 -1.755 18905 1823 1 3 . 1 1 113 113 ALA CB C 113 16.436 16.436 21.245 -4.809 18905 1824 1 3 . 1 1 113 113 ALA H H 113 8.214 8.214 8.747 -0.533 18905 1825 1 3 . 1 1 114 114 SER N N 114 114.286 114.286 114.130 0.156 18905 1826 1 3 . 1 1 114 114 SER HA H 114 4.376 4.376 4.705 -0.329 18905 1827 1 3 . 1 1 114 114 SER CA C 114 55.596 55.596 57.470 -1.874 18905 1828 1 3 . 1 1 114 114 SER CB C 114 61.009 61.009 64.651 -3.642 18905 1829 1 3 . 1 1 114 114 SER H H 114 8.124 8.124 8.321 -0.197 18905 1830 1 3 . 1 1 119 119 ARG N N 119 122.813 122.813 122.840 -0.027 18905 1831 1 3 . 1 1 119 119 ARG HA H 119 4.294 4.294 4.732 -0.438 18905 1832 1 3 . 1 1 119 119 ARG C C 119 173.654 173.654 174.135 -0.481 18905 1833 1 3 . 1 1 119 119 ARG CA C 119 53.701 53.701 55.852 -2.151 18905 1834 1 3 . 1 1 119 119 ARG CB C 119 28.140 28.140 29.886 -1.746 18905 1835 1 3 . 1 1 119 119 ARG H H 119 8.246 8.246 8.807 -0.561 18905 1836 1 3 . 1 1 120 120 ILE N N 120 121.624 121.624 121.241 0.383 18905 1837 1 3 . 1 1 120 120 ILE HA H 120 4.099 4.099 4.561 -0.462 18905 1838 1 3 . 1 1 120 120 ILE C C 120 173.651 173.651 174.661 -1.010 18905 1839 1 3 . 1 1 120 120 ILE CA C 120 58.593 58.593 60.002 -1.409 18905 1840 1 3 . 1 1 120 120 ILE CB C 120 36.091 36.091 39.966 -3.875 18905 1841 1 3 . 1 1 120 120 ILE H H 120 8.084 8.084 8.133 -0.049 18905 1842 1 3 . 1 1 121 121 SER N N 121 119.953 119.953 118.045 1.908 18905 1843 1 3 . 1 1 121 121 SER HA H 121 4.378 4.378 4.726 -0.348 18905 1844 1 3 . 1 1 121 121 SER C C 121 170.780 170.780 173.600 -2.820 18905 1845 1 3 . 1 1 121 121 SER CA C 121 55.506 55.506 58.428 -2.922 18905 1846 1 3 . 1 1 121 121 SER CB C 121 61.571 61.571 62.854 -1.283 18905 1847 1 3 . 1 1 121 121 SER H H 121 8.300 8.300 8.614 -0.314 18905 1848 1 3 . 1 1 123 123 ALA N N 123 119.892 119.892 123.366 -3.474 18905 1849 1 3 . 1 1 123 123 ALA HA H 123 4.102 4.102 4.208 -0.106 18905 1850 1 3 . 1 1 123 123 ALA CA C 123 58.473 58.473 53.474 5.000 18905 1851 1 3 . 1 1 123 123 ALA H H 123 8.305 8.305 8.623 -0.318 18905 1852 1 3 . 1 1 124 124 SER N N 124 122.264 122.264 112.349 9.915 18905 1853 1 3 . 1 1 124 124 SER HA H 124 4.384 4.384 4.602 -0.218 18905 1854 1 3 . 1 1 124 124 SER CA C 124 55.632 55.632 57.894 -2.261 18905 1855 1 3 . 1 1 124 124 SER CB C 124 60.925 60.925 64.641 -3.716 18905 1856 1 3 . 1 1 124 124 SER H H 124 8.353 8.353 7.895 0.458 18905 1857 1 3 . 1 1 125 125 VAL N N 125 121.433 121.433 121.443 -0.010 18905 1858 1 3 . 1 1 125 125 VAL HA H 125 4.073 4.073 4.586 -0.513 18905 1859 1 3 . 1 1 125 125 VAL C C 125 173.240 173.240 174.494 -1.254 18905 1860 1 3 . 1 1 125 125 VAL CA C 125 59.588 59.588 62.450 -2.861 18905 1861 1 3 . 1 1 125 125 VAL CB C 125 30.198 30.198 33.763 -3.565 18905 1862 1 3 . 1 1 125 125 VAL H H 125 8.014 8.014 8.680 -0.666 18905 1863 1 3 . 1 1 126 126 ALA N N 126 127.185 127.185 129.690 -2.505 18905 1864 1 3 . 1 1 126 126 ALA HA H 126 4.278 4.278 4.790 -0.512 18905 1865 1 3 . 1 1 126 126 ALA C C 126 175.118 175.118 176.187 -1.069 18905 1866 1 3 . 1 1 126 126 ALA CA C 126 49.919 49.919 52.059 -2.140 18905 1867 1 3 . 1 1 126 126 ALA CB C 126 16.532 16.532 20.621 -4.089 18905 1868 1 3 . 1 1 126 126 ALA H H 126 8.277 8.277 8.334 -0.057 18905 1869 1 3 . 1 1 127 127 SER N N 127 115.148 115.148 116.102 -0.954 18905 1870 1 3 . 1 1 127 127 SER HA H 127 4.420 4.420 4.472 -0.052 18905 1871 1 3 . 1 1 127 127 SER C C 127 172.168 172.168 173.916 -1.748 18905 1872 1 3 . 1 1 127 127 SER CA C 127 55.770 55.770 58.241 -2.471 18905 1873 1 3 . 1 1 127 127 SER CB C 127 58.992 58.992 63.658 -4.666 18905 1874 1 3 . 1 1 127 127 SER H H 127 8.249 8.249 8.500 -0.251 18905 1875 1 3 . 1 1 128 128 THR N N 128 115.498 115.498 118.812 -3.314 18905 1876 1 3 . 1 1 128 128 THR C C 128 171.392 171.392 173.831 -2.439 18905 1877 1 3 . 1 1 128 128 THR CA C 128 59.083 59.083 62.622 -3.539 18905 1878 1 3 . 1 1 128 128 THR H H 128 8.050 8.050 7.819 0.231 18905 1879 1 3 . 1 1 129 129 ALA N N 129 126.543 126.543 128.504 -1.961 18905 1880 1 3 . 1 1 129 129 ALA HA H 129 4.236 4.236 4.632 -0.396 18905 1881 1 3 . 1 1 129 129 ALA C C 129 174.650 174.650 176.109 -1.459 18905 1882 1 3 . 1 1 129 129 ALA CA C 129 49.794 49.794 51.647 -1.853 18905 1883 1 3 . 1 1 129 129 ALA CB C 129 16.538 16.538 20.592 -4.054 18905 1884 1 3 . 1 1 129 129 ALA H H 129 8.160 8.160 8.247 -0.087 18905 1885 1 3 . 1 1 130 130 ILE N N 130 120.371 120.371 120.643 -0.272 18905 1886 1 3 . 1 1 130 130 ILE HA H 130 4.099 4.099 4.256 -0.157 18905 1887 1 3 . 1 1 130 130 ILE C C 130 173.651 173.651 175.420 -1.769 18905 1888 1 3 . 1 1 130 130 ILE CA C 130 58.513 58.513 61.613 -3.100 18905 1889 1 3 . 1 1 130 130 ILE CB C 130 36.091 36.091 39.111 -3.020 18905 1890 1 3 . 1 1 130 130 ILE H H 130 8.043 8.043 8.429 -0.386 18905 1891 1 4 . 1 1 4 4 GLY N N 4 110.117 110.117 109.088 1.029 18905 1892 1 4 . 1 1 4 4 GLY C C 4 171.413 171.413 173.231 -1.818 18905 1893 1 4 . 1 1 4 4 GLY CA C 4 42.667 42.667 45.392 -2.724 18905 1894 1 4 . 1 1 4 4 GLY H H 4 8.391 8.391 8.442 -0.051 18905 1895 1 4 . 1 1 5 5 VAL N N 5 119.501 119.501 122.702 -3.201 18905 1896 1 4 . 1 1 5 5 VAL HA H 5 4.018 4.018 4.435 -0.417 18905 1897 1 4 . 1 1 5 5 VAL C C 5 173.738 173.738 175.309 -1.571 18905 1898 1 4 . 1 1 5 5 VAL CA C 5 59.923 59.923 61.959 -2.036 18905 1899 1 4 . 1 1 5 5 VAL CB C 5 30.111 30.111 34.165 -4.054 18905 1900 1 4 . 1 1 5 5 VAL H H 5 7.951 7.951 7.786 0.165 18905 1901 1 4 . 1 1 6 6 LEU N N 6 125.484 125.484 122.445 3.039 18905 1902 1 4 . 1 1 6 6 LEU HA H 6 4.280 4.280 4.763 -0.483 18905 1903 1 4 . 1 1 6 6 LEU C C 6 174.708 174.708 176.819 -2.111 18905 1904 1 4 . 1 1 6 6 LEU CA C 6 52.535 52.535 55.292 -2.757 18905 1905 1 4 . 1 1 6 6 LEU CB C 6 39.586 39.586 41.468 -1.882 18905 1906 1 4 . 1 1 6 6 LEU H H 6 8.248 8.248 8.288 -0.040 18905 1907 1 4 . 1 1 7 7 ALA N N 7 124.939 124.939 123.304 1.635 18905 1908 1 4 . 1 1 7 7 ALA HA H 7 4.234 4.234 4.733 -0.499 18905 1909 1 4 . 1 1 7 7 ALA C C 7 174.865 174.865 177.091 -2.226 18905 1910 1 4 . 1 1 7 7 ALA CA C 7 50.136 50.136 51.812 -1.676 18905 1911 1 4 . 1 1 7 7 ALA CB C 7 16.500 16.500 20.373 -3.873 18905 1912 1 4 . 1 1 7 7 ALA H H 7 8.241 8.241 7.981 0.260 18905 1913 1 4 . 1 1 8 8 SER N N 8 117.901 117.901 115.040 2.861 18905 1914 1 4 . 1 1 8 8 SER HA H 8 4.377 4.377 4.607 -0.230 18905 1915 1 4 . 1 1 8 8 SER C C 8 172.221 172.221 173.239 -1.018 18905 1916 1 4 . 1 1 8 8 SER CA C 8 56.008 56.008 58.350 -2.342 18905 1917 1 4 . 1 1 8 8 SER CB C 8 61.008 61.008 63.219 -2.211 18905 1918 1 4 . 1 1 8 8 SER H H 8 8.347 8.347 8.240 0.107 18905 1919 1 4 . 1 1 9 9 GLN N N 9 122.019 122.019 125.127 -3.108 18905 1920 1 4 . 1 1 9 9 GLN HA H 9 4.302 4.302 4.569 -0.267 18905 1921 1 4 . 1 1 9 9 GLN C C 9 173.160 173.160 174.767 -1.607 18905 1922 1 4 . 1 1 9 9 GLN CA C 9 53.470 53.470 55.819 -2.349 18905 1923 1 4 . 1 1 9 9 GLN CB C 9 26.663 26.663 30.220 -3.557 18905 1924 1 4 . 1 1 9 9 GLN H H 9 8.240 8.240 8.595 -0.355 18905 1925 1 4 . 1 1 10 10 ALA N N 10 124.490 124.490 127.619 -3.129 18905 1926 1 4 . 1 1 10 10 ALA HA H 10 4.238 4.238 4.664 -0.426 18905 1927 1 4 . 1 1 10 10 ALA C C 10 175.142 175.142 176.251 -1.109 18905 1928 1 4 . 1 1 10 10 ALA CA C 10 50.121 50.121 51.735 -1.614 18905 1929 1 4 . 1 1 10 10 ALA CB C 10 16.322 16.322 19.715 -3.393 18905 1930 1 4 . 1 1 10 10 ALA H H 10 8.132 8.132 8.534 -0.402 18905 1931 1 4 . 1 1 11 11 LEU N N 11 120.785 120.785 120.871 -0.086 18905 1932 1 4 . 1 1 11 11 LEU HA H 11 4.278 4.278 4.918 -0.640 18905 1933 1 4 . 1 1 11 11 LEU C C 11 174.929 174.929 175.971 -1.042 18905 1934 1 4 . 1 1 11 11 LEU CA C 11 52.612 52.612 54.552 -1.940 18905 1935 1 4 . 1 1 11 11 LEU CB C 11 39.647 39.647 44.595 -4.948 18905 1936 1 4 . 1 1 11 11 LEU H H 11 8.088 8.088 8.714 -0.626 18905 1937 1 4 . 1 1 12 12 SER N N 12 116.121 116.121 116.892 -0.771 18905 1938 1 4 . 1 1 12 12 SER C C 12 171.977 171.977 173.117 -1.140 18905 1939 1 4 . 1 1 12 12 SER CA C 12 55.621 55.621 58.234 -2.614 18905 1940 1 4 . 1 1 12 12 SER CB C 12 56.041 56.041 64.526 -8.485 18905 1941 1 4 . 1 1 12 12 SER H H 12 8.170 8.170 8.487 -0.317 18905 1942 1 4 . 1 1 13 13 GLN N N 13 122.139 122.139 119.828 2.311 18905 1943 1 4 . 1 1 13 13 GLN HA H 13 4.312 4.312 4.881 -0.569 18905 1944 1 4 . 1 1 13 13 GLN CA C 13 54.059 54.059 55.521 -1.462 18905 1945 1 4 . 1 1 13 13 GLN H H 13 8.368 8.368 8.366 0.002 18905 1946 1 4 . 1 1 14 14 GLY N N 14 109.259 109.259 110.650 -1.391 18905 1947 1 4 . 1 1 14 14 GLY CA C 14 42.970 42.970 44.508 -1.538 18905 1948 1 4 . 1 1 14 14 GLY H H 14 8.378 8.378 8.639 -0.261 18905 1949 1 4 . 1 1 15 15 SER N N 15 115.486 115.486 114.186 1.300 18905 1950 1 4 . 1 1 15 15 SER HA H 15 4.378 4.378 4.587 -0.209 18905 1951 1 4 . 1 1 15 15 SER CA C 15 55.853 55.853 57.991 -2.138 18905 1952 1 4 . 1 1 15 15 SER CB C 15 59.406 59.406 64.236 -4.830 18905 1953 1 4 . 1 1 15 15 SER H H 15 8.085 8.085 8.044 0.041 18905 1954 1 4 . 1 1 16 16 GLU N N 16 120.501 120.501 122.995 -2.494 18905 1955 1 4 . 1 1 16 16 GLU HA H 16 4.664 4.664 4.674 -0.010 18905 1956 1 4 . 1 1 16 16 GLU CA C 16 50.628 50.628 54.535 -3.908 18905 1957 1 4 . 1 1 16 16 GLU CB C 16 36.442 36.442 29.681 6.761 18905 1958 1 4 . 1 1 16 16 GLU H H 16 8.376 8.376 8.343 0.033 18905 1959 1 4 . 1 1 17 17 PRO CA C 17 65.700 65.700 62.523 3.177 18905 1960 1 4 . 1 1 22 22 ALA N N 22 124.130 124.130 122.427 1.703 18905 1961 1 4 . 1 1 22 22 ALA HA H 22 4.178 4.178 4.225 -0.047 18905 1962 1 4 . 1 1 22 22 ALA CA C 22 49.746 49.746 52.469 -2.723 18905 1963 1 4 . 1 1 22 22 ALA CB C 22 16.789 16.789 18.554 -1.765 18905 1964 1 4 . 1 1 22 22 ALA H H 22 8.096 8.096 8.197 -0.101 18905 1965 1 4 . 1 1 23 23 ASN N N 23 117.516 117.516 120.389 -2.873 18905 1966 1 4 . 1 1 23 23 ASN HA H 23 4.672 4.672 4.864 -0.192 18905 1967 1 4 . 1 1 23 23 ASN C C 23 171.179 171.179 172.768 -1.589 18905 1968 1 4 . 1 1 23 23 ASN CA C 23 50.084 50.084 52.135 -2.051 18905 1969 1 4 . 1 1 23 23 ASN CB C 23 36.737 36.737 40.643 -3.906 18905 1970 1 4 . 1 1 23 23 ASN H H 23 8.037 8.037 8.200 -0.163 18905 1971 1 4 . 1 1 24 24 ASP N N 24 118.387 118.387 119.394 -1.007 18905 1972 1 4 . 1 1 24 24 ASP HA H 24 4.676 4.676 5.049 -0.373 18905 1973 1 4 . 1 1 24 24 ASP CA C 24 50.660 50.660 53.678 -3.018 18905 1974 1 4 . 1 1 24 24 ASP CB C 24 40.670 40.670 41.590 -0.920 18905 1975 1 4 . 1 1 24 24 ASP H H 24 8.198 8.198 8.490 -0.292 18905 1976 1 4 . 1 1 25 25 THR N N 25 114.224 114.224 116.534 -2.310 18905 1977 1 4 . 1 1 25 25 THR HA H 25 5.275 5.275 4.914 0.361 18905 1978 1 4 . 1 1 25 25 THR CA C 25 59.162 59.162 61.776 -2.614 18905 1979 1 4 . 1 1 25 25 THR CB C 25 68.849 68.849 72.433 -3.584 18905 1980 1 4 . 1 1 25 25 THR H H 25 8.090 8.090 8.419 -0.329 18905 1981 1 4 . 1 1 26 26 ILE N N 26 126.637 126.637 123.465 3.172 18905 1982 1 4 . 1 1 26 26 ILE HA H 26 4.650 4.650 4.609 0.041 18905 1983 1 4 . 1 1 26 26 ILE C C 26 171.500 171.500 174.114 -2.614 18905 1984 1 4 . 1 1 26 26 ILE CA C 26 56.930 56.930 61.009 -4.079 18905 1985 1 4 . 1 1 26 26 ILE CB C 26 38.159 38.159 41.189 -3.030 18905 1986 1 4 . 1 1 26 26 ILE H H 26 9.314 9.314 8.848 0.466 18905 1987 1 4 . 1 1 27 27 ILE N N 27 126.764 126.764 123.002 3.762 18905 1988 1 4 . 1 1 27 27 ILE HA H 27 4.955 4.955 5.041 -0.086 18905 1989 1 4 . 1 1 27 27 ILE C C 27 171.462 171.462 173.875 -2.413 18905 1990 1 4 . 1 1 27 27 ILE CA C 27 56.909 56.909 58.749 -1.840 18905 1991 1 4 . 1 1 27 27 ILE CB C 27 38.397 38.397 42.490 -4.093 18905 1992 1 4 . 1 1 27 27 ILE H H 27 9.280 9.280 8.370 0.910 18905 1993 1 4 . 1 1 28 28 LEU N N 28 125.666 125.666 122.720 2.946 18905 1994 1 4 . 1 1 28 28 LEU HA H 28 4.858 4.858 5.180 -0.322 18905 1995 1 4 . 1 1 28 28 LEU C C 28 172.714 172.714 176.154 -3.440 18905 1996 1 4 . 1 1 28 28 LEU CA C 28 50.153 50.153 52.649 -2.496 18905 1997 1 4 . 1 1 28 28 LEU CB C 28 39.943 39.943 44.285 -4.342 18905 1998 1 4 . 1 1 28 28 LEU H H 28 8.791 8.791 8.616 0.175 18905 1999 1 4 . 1 1 29 29 ARG N N 29 119.656 119.656 119.481 0.175 18905 2000 1 4 . 1 1 29 29 ARG HA H 29 5.023 5.023 4.815 0.208 18905 2001 1 4 . 1 1 29 29 ARG C C 29 172.927 172.927 175.425 -2.498 18905 2002 1 4 . 1 1 29 29 ARG CA C 29 51.933 51.933 54.323 -2.390 18905 2003 1 4 . 1 1 29 29 ARG CB C 29 31.298 31.298 33.467 -2.169 18905 2004 1 4 . 1 1 29 29 ARG H H 29 8.742 8.742 8.667 0.075 18905 2005 1 4 . 1 1 30 30 ASN N N 30 115.104 115.104 117.140 -2.036 18905 2006 1 4 . 1 1 30 30 ASN HA H 30 4.319 4.319 4.374 -0.055 18905 2007 1 4 . 1 1 30 30 ASN C C 30 172.025 172.025 173.951 -1.926 18905 2008 1 4 . 1 1 30 30 ASN CA C 30 51.550 51.550 53.922 -2.372 18905 2009 1 4 . 1 1 30 30 ASN CB C 30 35.656 35.656 37.708 -2.052 18905 2010 1 4 . 1 1 30 30 ASN H H 30 8.292 8.292 8.757 -0.465 18905 2011 1 4 . 1 1 31 31 LEU N N 31 113.394 113.394 119.365 -5.971 18905 2012 1 4 . 1 1 31 31 LEU HA H 31 3.915 3.915 4.597 -0.682 18905 2013 1 4 . 1 1 31 31 LEU C C 31 175.815 175.815 175.409 0.406 18905 2014 1 4 . 1 1 31 31 LEU CA C 31 52.148 52.148 53.405 -1.257 18905 2015 1 4 . 1 1 31 31 LEU CB C 31 39.876 39.876 44.643 -4.767 18905 2016 1 4 . 1 1 31 31 LEU H H 31 7.602 7.602 7.427 0.175 18905 2017 1 4 . 1 1 32 32 ASN N N 32 123.357 123.357 115.198 8.159 18905 2018 1 4 . 1 1 32 32 ASN HA H 32 4.476 4.476 5.014 -0.538 18905 2019 1 4 . 1 1 32 32 ASN CA C 32 48.784 48.784 50.380 -1.596 18905 2020 1 4 . 1 1 32 32 ASN CB C 32 36.284 36.284 38.429 -2.145 18905 2021 1 4 . 1 1 32 32 ASN H H 32 9.816 9.816 8.022 1.794 18905 2022 1 4 . 1 1 33 33 PRO HA H 33 4.339 4.339 4.304 0.035 18905 2023 1 4 . 1 1 33 33 PRO CA C 33 61.514 61.514 65.144 -3.630 18905 2024 1 4 . 1 1 33 33 PRO CB C 33 30.320 30.320 31.856 -1.536 18905 2025 1 4 . 1 1 34 34 HIS N N 34 111.187 111.187 114.615 -3.428 18905 2026 1 4 . 1 1 34 34 HIS HA H 34 4.402 4.402 4.648 -0.246 18905 2027 1 4 . 1 1 34 34 HIS CA C 34 53.125 53.125 56.079 -2.954 18905 2028 1 4 . 1 1 34 34 HIS CB C 34 25.760 25.760 29.555 -3.795 18905 2029 1 4 . 1 1 34 34 HIS H H 34 8.856 8.856 8.415 0.441 18905 2030 1 4 . 1 1 35 35 SER N N 35 118.219 118.219 117.148 1.071 18905 2031 1 4 . 1 1 35 35 SER HA H 35 4.718 4.718 4.311 0.407 18905 2032 1 4 . 1 1 35 35 SER CB C 35 60.222 60.222 63.838 -3.616 18905 2033 1 4 . 1 1 35 35 SER H H 35 8.262 8.262 7.939 0.323 18905 2034 1 4 . 1 1 36 36 THR N N 36 114.157 114.157 117.063 -2.906 18905 2035 1 4 . 1 1 36 36 THR HA H 36 4.545 4.545 4.621 -0.076 18905 2036 1 4 . 1 1 36 36 THR CA C 36 56.508 56.508 60.799 -4.291 18905 2037 1 4 . 1 1 36 36 THR CB C 36 70.051 70.051 69.729 0.322 18905 2038 1 4 . 1 1 36 36 THR H H 36 8.451 8.451 8.171 0.280 18905 2039 1 4 . 1 1 37 37 MET N N 37 119.815 119.815 119.407 0.408 18905 2040 1 4 . 1 1 37 37 MET HA H 37 3.943 3.943 4.199 -0.256 18905 2041 1 4 . 1 1 37 37 MET CA C 37 56.204 56.204 58.489 -2.285 18905 2042 1 4 . 1 1 37 37 MET CB C 37 28.959 28.959 32.168 -3.209 18905 2043 1 4 . 1 1 37 37 MET H H 37 8.928 8.928 8.622 0.306 18905 2044 1 4 . 1 1 38 38 ASP N N 38 115.357 115.357 119.260 -3.903 18905 2045 1 4 . 1 1 38 38 ASP HA H 38 4.301 4.301 4.402 -0.101 18905 2046 1 4 . 1 1 38 38 ASP CA C 38 54.750 54.750 57.173 -2.423 18905 2047 1 4 . 1 1 38 38 ASP CB C 38 37.934 37.934 40.345 -2.411 18905 2048 1 4 . 1 1 38 38 ASP H H 38 8.096 8.096 8.460 -0.364 18905 2049 1 4 . 1 1 39 39 SER N N 39 118.933 118.933 115.475 3.458 18905 2050 1 4 . 1 1 39 39 SER HA H 39 4.253 4.253 4.152 0.101 18905 2051 1 4 . 1 1 39 39 SER C C 39 174.818 174.818 176.557 -1.739 18905 2052 1 4 . 1 1 39 39 SER CA C 39 58.767 58.767 61.832 -3.065 18905 2053 1 4 . 1 1 39 39 SER CB C 39 61.631 61.631 63.123 -1.492 18905 2054 1 4 . 1 1 39 39 SER H H 39 8.088 8.088 7.610 0.478 18905 2055 1 4 . 1 1 40 40 ILE N N 40 124.376 124.376 120.408 3.968 18905 2056 1 4 . 1 1 40 40 ILE HA H 40 3.538 3.538 3.779 -0.241 18905 2057 1 4 . 1 1 40 40 ILE C C 40 174.358 174.358 177.682 -3.324 18905 2058 1 4 . 1 1 40 40 ILE CA C 40 62.936 62.936 64.418 -1.482 18905 2059 1 4 . 1 1 40 40 ILE CB C 40 35.725 35.725 38.064 -2.339 18905 2060 1 4 . 1 1 40 40 ILE H H 40 8.009 8.009 7.607 0.402 18905 2061 1 4 . 1 1 41 41 LEU N N 41 117.914 117.914 120.349 -2.435 18905 2062 1 4 . 1 1 41 41 LEU HA H 41 3.818 3.818 3.914 -0.096 18905 2063 1 4 . 1 1 41 41 LEU C C 41 178.292 178.292 179.066 -0.774 18905 2064 1 4 . 1 1 41 41 LEU CA C 41 55.496 55.496 58.038 -2.542 18905 2065 1 4 . 1 1 41 41 LEU CB C 41 38.574 38.574 41.584 -3.010 18905 2066 1 4 . 1 1 41 41 LEU H H 41 8.574 8.574 7.433 1.141 18905 2067 1 4 . 1 1 42 42 GLY N N 42 105.053 105.053 105.000 0.053 18905 2068 1 4 . 1 1 42 42 GLY C C 42 173.318 173.318 175.386 -2.068 18905 2069 1 4 . 1 1 42 42 GLY CA C 42 44.283 44.283 46.517 -2.234 18905 2070 1 4 . 1 1 42 42 GLY H H 42 8.207 8.207 8.544 -0.337 18905 2071 1 4 . 1 1 43 43 ALA N N 43 122.411 122.411 122.450 -0.039 18905 2072 1 4 . 1 1 43 43 ALA HA H 43 4.245 4.245 4.160 0.085 18905 2073 1 4 . 1 1 43 43 ALA C C 43 176.200 176.200 177.899 -1.699 18905 2074 1 4 . 1 1 43 43 ALA CA C 43 51.148 51.148 53.991 -2.843 18905 2075 1 4 . 1 1 43 43 ALA CB C 43 17.381 17.381 19.322 -1.941 18905 2076 1 4 . 1 1 43 43 ALA H H 43 7.571 7.571 7.582 -0.011 18905 2077 1 4 . 1 1 44 44 LEU N N 44 113.121 113.121 115.894 -2.773 18905 2078 1 4 . 1 1 44 44 LEU HA H 44 4.514 4.514 4.614 -0.100 18905 2079 1 4 . 1 1 44 44 LEU C C 44 174.187 174.187 178.579 -4.392 18905 2080 1 4 . 1 1 44 44 LEU CA C 44 52.247 52.247 54.568 -2.321 18905 2081 1 4 . 1 1 44 44 LEU CB C 44 40.210 40.210 42.860 -2.650 18905 2082 1 4 . 1 1 44 44 LEU H H 44 7.533 7.533 7.903 -0.370 18905 2083 1 4 . 1 1 45 45 ALA N N 45 123.574 123.574 124.530 -0.956 18905 2084 1 4 . 1 1 45 45 ALA HA H 45 4.313 4.313 4.003 0.310 18905 2085 1 4 . 1 1 45 45 ALA CA C 45 53.187 53.187 56.800 -3.613 18905 2086 1 4 . 1 1 45 45 ALA CB C 45 14.134 14.134 15.860 -1.726 18905 2087 1 4 . 1 1 45 45 ALA H H 45 7.398 7.398 8.404 -1.006 18905 2088 1 4 . 1 1 46 46 PRO HA H 46 4.043 4.043 4.226 -0.183 18905 2089 1 4 . 1 1 46 46 PRO CA C 46 61.784 61.784 64.406 -2.622 18905 2090 1 4 . 1 1 46 46 PRO CB C 46 27.999 27.999 31.351 -3.352 18905 2091 1 4 . 1 1 47 47 TYR N N 47 114.404 114.404 117.277 -2.873 18905 2092 1 4 . 1 1 47 47 TYR HA H 47 4.527 4.527 4.677 -0.150 18905 2093 1 4 . 1 1 47 47 TYR CA C 47 54.406 54.406 56.728 -2.322 18905 2094 1 4 . 1 1 47 47 TYR CB C 47 37.537 37.537 38.046 -0.509 18905 2095 1 4 . 1 1 47 47 TYR H H 47 7.897 7.897 7.842 0.055 18905 2096 1 4 . 1 1 48 48 ALA N N 48 119.845 119.845 120.600 -0.755 18905 2097 1 4 . 1 1 48 48 ALA HA H 48 4.360 4.360 4.633 -0.273 18905 2098 1 4 . 1 1 48 48 ALA C C 48 171.938 171.938 174.893 -2.955 18905 2099 1 4 . 1 1 48 48 ALA CA C 48 49.129 49.129 50.977 -1.848 18905 2100 1 4 . 1 1 48 48 ALA CB C 48 19.614 19.614 21.515 -1.901 18905 2101 1 4 . 1 1 48 48 ALA H H 48 8.083 8.083 7.348 0.735 18905 2102 1 4 . 1 1 49 49 VAL N N 49 122.528 122.528 119.875 2.653 18905 2103 1 4 . 1 1 49 49 VAL HA H 49 3.904 3.904 4.374 -0.470 18905 2104 1 4 . 1 1 49 49 VAL C C 49 172.490 172.490 174.584 -2.094 18905 2105 1 4 . 1 1 49 49 VAL CA C 49 60.373 60.373 62.555 -2.182 18905 2106 1 4 . 1 1 49 49 VAL CB C 49 28.257 28.257 31.532 -3.275 18905 2107 1 4 . 1 1 49 49 VAL H H 49 8.414 8.414 8.370 0.043 18905 2108 1 4 . 1 1 50 50 LEU N N 50 127.924 127.924 123.727 4.197 18905 2109 1 4 . 1 1 50 50 LEU HA H 50 4.650 4.650 4.912 -0.262 18905 2110 1 4 . 1 1 50 50 LEU C C 50 172.488 172.488 175.071 -2.583 18905 2111 1 4 . 1 1 50 50 LEU CA C 50 50.523 50.523 54.025 -3.502 18905 2112 1 4 . 1 1 50 50 LEU CB C 50 42.647 42.647 43.867 -1.220 18905 2113 1 4 . 1 1 50 50 LEU H H 50 7.904 7.904 7.933 -0.029 18905 2114 1 4 . 1 1 51 51 SER N N 51 114.999 114.999 113.415 1.584 18905 2115 1 4 . 1 1 51 51 SER HA H 51 4.783 4.783 4.914 -0.131 18905 2116 1 4 . 1 1 51 51 SER C C 51 172.827 172.827 174.645 -1.818 18905 2117 1 4 . 1 1 51 51 SER CA C 51 53.708 53.708 57.873 -4.165 18905 2118 1 4 . 1 1 51 51 SER CB C 51 63.424 63.424 66.189 -2.765 18905 2119 1 4 . 1 1 51 51 SER H H 51 8.623 8.623 8.316 0.307 18905 2120 1 4 . 1 1 52 52 SER N N 52 118.355 118.355 117.126 1.229 18905 2121 1 4 . 1 1 52 52 SER HA H 52 4.301 4.301 4.159 0.142 18905 2122 1 4 . 1 1 52 52 SER C C 52 173.242 173.242 175.789 -2.547 18905 2123 1 4 . 1 1 52 52 SER CA C 52 58.709 58.709 60.877 -2.168 18905 2124 1 4 . 1 1 52 52 SER CB C 52 59.826 59.826 62.943 -3.116 18905 2125 1 4 . 1 1 52 52 SER H H 52 9.117 9.117 8.600 0.517 18905 2126 1 4 . 1 1 53 53 SER N N 53 114.926 114.926 114.766 0.160 18905 2127 1 4 . 1 1 53 53 SER HA H 53 4.292 4.292 4.307 -0.015 18905 2128 1 4 . 1 1 53 53 SER CA C 53 57.882 57.882 60.627 -2.745 18905 2129 1 4 . 1 1 53 53 SER CB C 53 60.220 60.220 63.190 -2.970 18905 2130 1 4 . 1 1 53 53 SER H H 53 8.014 8.014 8.142 -0.128 18905 2131 1 4 . 1 1 54 54 ASN N N 54 116.432 116.432 118.288 -1.856 18905 2132 1 4 . 1 1 54 54 ASN HA H 54 4.914 4.914 4.662 0.252 18905 2133 1 4 . 1 1 54 54 ASN C C 54 170.744 170.744 175.480 -4.736 18905 2134 1 4 . 1 1 54 54 ASN CA C 54 52.054 52.054 55.486 -3.432 18905 2135 1 4 . 1 1 54 54 ASN CB C 54 38.952 38.952 39.282 -0.330 18905 2136 1 4 . 1 1 54 54 ASN H H 54 7.996 7.996 7.929 0.067 18905 2137 1 4 . 1 1 55 55 VAL N N 55 118.877 118.877 121.675 -2.798 18905 2138 1 4 . 1 1 55 55 VAL HA H 55 4.891 4.891 3.957 0.934 18905 2139 1 4 . 1 1 55 55 VAL C C 55 171.238 171.238 175.118 -3.880 18905 2140 1 4 . 1 1 55 55 VAL CA C 55 58.709 58.709 63.348 -4.639 18905 2141 1 4 . 1 1 55 55 VAL CB C 55 31.652 31.652 30.395 1.257 18905 2142 1 4 . 1 1 55 55 VAL H H 55 7.421 7.421 7.302 0.119 18905 2143 1 4 . 1 1 56 56 ARG N N 56 125.757 125.757 128.537 -2.780 18905 2144 1 4 . 1 1 56 56 ARG HA H 56 4.708 4.708 4.413 0.295 18905 2145 1 4 . 1 1 56 56 ARG C C 56 172.321 172.321 174.860 -2.539 18905 2146 1 4 . 1 1 56 56 ARG CA C 56 51.878 51.878 55.130 -3.252 18905 2147 1 4 . 1 1 56 56 ARG CB C 56 30.211 30.211 30.914 -0.703 18905 2148 1 4 . 1 1 56 56 ARG H H 56 9.011 9.011 8.432 0.579 18905 2149 1 4 . 1 1 57 57 VAL N N 57 125.646 125.646 128.368 -2.722 18905 2150 1 4 . 1 1 57 57 VAL HA H 57 3.878 3.878 3.951 -0.073 18905 2151 1 4 . 1 1 57 57 VAL C C 57 172.129 172.129 175.380 -3.251 18905 2152 1 4 . 1 1 57 57 VAL CA C 57 59.043 59.043 62.226 -3.183 18905 2153 1 4 . 1 1 57 57 VAL CB C 57 30.019 30.019 32.102 -2.083 18905 2154 1 4 . 1 1 57 57 VAL H H 57 8.794 8.794 8.229 0.565 18905 2155 1 4 . 1 1 58 58 ILE N N 58 127.547 127.547 128.946 -1.399 18905 2156 1 4 . 1 1 58 58 ILE HA H 58 4.049 4.049 4.091 -0.042 18905 2157 1 4 . 1 1 58 58 ILE C C 58 172.672 172.672 175.540 -2.868 18905 2158 1 4 . 1 1 58 58 ILE CA C 58 57.246 57.246 59.903 -2.656 18905 2159 1 4 . 1 1 58 58 ILE CB C 58 32.839 32.839 37.572 -4.734 18905 2160 1 4 . 1 1 58 58 ILE H H 58 7.259 7.259 7.956 -0.697 18905 2161 1 4 . 1 1 59 59 LYS N N 59 127.231 127.231 123.488 3.743 18905 2162 1 4 . 1 1 59 59 LYS HA H 59 4.532 4.532 4.626 -0.094 18905 2163 1 4 . 1 1 59 59 LYS C C 59 173.119 173.119 175.058 -1.939 18905 2164 1 4 . 1 1 59 59 LYS CA C 59 52.444 52.444 54.627 -2.183 18905 2165 1 4 . 1 1 59 59 LYS CB C 59 32.374 32.374 35.757 -3.383 18905 2166 1 4 . 1 1 59 59 LYS H H 59 8.571 8.571 8.022 0.549 18905 2167 1 4 . 1 1 60 60 ASP N N 60 123.232 123.232 120.307 2.925 18905 2168 1 4 . 1 1 60 60 ASP HA H 60 4.496 4.496 4.767 -0.271 18905 2169 1 4 . 1 1 60 60 ASP C C 60 174.118 174.118 175.643 -1.525 18905 2170 1 4 . 1 1 60 60 ASP CA C 60 50.786 50.786 52.993 -2.207 18905 2171 1 4 . 1 1 60 60 ASP CB C 60 40.058 40.058 42.371 -2.313 18905 2172 1 4 . 1 1 60 60 ASP H H 60 8.527 8.527 8.431 0.096 18905 2173 1 4 . 1 1 61 61 LYS N N 61 125.977 125.977 120.281 5.696 18905 2174 1 4 . 1 1 61 61 LYS HA H 61 3.918 3.918 4.322 -0.404 18905 2175 1 4 . 1 1 61 61 LYS C C 61 174.696 174.696 177.067 -2.371 18905 2176 1 4 . 1 1 61 61 LYS CA C 61 56.017 56.017 57.467 -1.450 18905 2177 1 4 . 1 1 61 61 LYS CB C 61 29.813 29.813 32.867 -3.054 18905 2178 1 4 . 1 1 61 61 LYS H H 61 8.770 8.770 8.529 0.241 18905 2179 1 4 . 1 1 62 62 GLN N N 62 116.732 116.732 118.495 -1.763 18905 2180 1 4 . 1 1 62 62 GLN HA H 62 4.252 4.252 4.232 0.020 18905 2181 1 4 . 1 1 62 62 GLN C C 62 174.793 174.793 175.730 -0.937 18905 2182 1 4 . 1 1 62 62 GLN CA C 62 55.001 55.001 57.011 -2.010 18905 2183 1 4 . 1 1 62 62 GLN CB C 62 26.516 26.516 29.466 -2.950 18905 2184 1 4 . 1 1 62 62 GLN H H 62 8.538 8.538 8.263 0.275 18905 2185 1 4 . 1 1 63 63 THR N N 63 108.519 108.519 107.215 1.304 18905 2186 1 4 . 1 1 63 63 THR HA H 63 4.265 4.265 4.503 -0.238 18905 2187 1 4 . 1 1 63 63 THR CA C 63 59.302 59.302 59.591 -0.289 18905 2188 1 4 . 1 1 63 63 THR CB C 63 67.891 67.891 70.974 -3.083 18905 2189 1 4 . 1 1 63 63 THR H H 63 7.882 7.882 7.406 0.476 18905 2190 1 4 . 1 1 64 64 GLN N N 64 113.890 113.890 118.685 -4.795 18905 2191 1 4 . 1 1 64 64 GLN HA H 64 3.829 3.829 4.624 -0.795 18905 2192 1 4 . 1 1 64 64 GLN C C 64 172.129 172.129 174.819 -2.690 18905 2193 1 4 . 1 1 64 64 GLN CA C 64 54.560 54.560 54.823 -0.263 18905 2194 1 4 . 1 1 64 64 GLN CB C 64 23.812 23.812 28.709 -4.897 18905 2195 1 4 . 1 1 64 64 GLN H H 64 8.188 8.188 8.452 -0.264 18905 2196 1 4 . 1 1 65 65 LEU N N 65 119.516 119.516 119.946 -0.430 18905 2197 1 4 . 1 1 65 65 LEU HA H 65 4.463 4.463 4.562 -0.099 18905 2198 1 4 . 1 1 65 65 LEU C C 65 174.174 174.174 175.815 -1.641 18905 2199 1 4 . 1 1 65 65 LEU CA C 65 51.024 51.024 53.453 -2.429 18905 2200 1 4 . 1 1 65 65 LEU CB C 65 39.608 39.608 44.830 -5.222 18905 2201 1 4 . 1 1 65 65 LEU H H 65 7.682 7.682 7.208 0.474 18905 2202 1 4 . 1 1 66 66 ASN N N 66 117.776 117.776 117.964 -0.188 18905 2203 1 4 . 1 1 66 66 ASN HA H 66 4.958 4.958 4.864 0.094 18905 2204 1 4 . 1 1 66 66 ASN C C 66 171.913 171.913 176.223 -4.310 18905 2205 1 4 . 1 1 66 66 ASN CA C 66 50.440 50.440 53.441 -3.001 18905 2206 1 4 . 1 1 66 66 ASN CB C 66 36.771 36.771 38.980 -2.209 18905 2207 1 4 . 1 1 66 66 ASN H H 66 8.771 8.771 8.205 0.566 18905 2208 1 4 . 1 1 67 67 ARG N N 67 117.508 117.508 120.657 -3.149 18905 2209 1 4 . 1 1 67 67 ARG HA H 67 4.193 4.193 4.521 -0.328 18905 2210 1 4 . 1 1 67 67 ARG CA C 67 53.615 53.615 55.920 -2.305 18905 2211 1 4 . 1 1 67 67 ARG CB C 67 28.137 28.137 30.267 -2.130 18905 2212 1 4 . 1 1 67 67 ARG H H 67 8.313 8.313 8.512 -0.199 18905 2213 1 4 . 1 1 68 68 GLY N N 68 107.904 107.904 108.010 -0.106 18905 2214 1 4 . 1 1 68 68 GLY CA C 68 42.842 42.842 45.484 -2.642 18905 2215 1 4 . 1 1 68 68 GLY H H 68 9.437 9.437 8.693 0.744 18905 2216 1 4 . 1 1 69 69 PHE N N 69 113.804 113.804 114.594 -0.790 18905 2217 1 4 . 1 1 69 69 PHE HA H 69 5.754 5.754 5.368 0.386 18905 2218 1 4 . 1 1 69 69 PHE C C 69 170.151 170.151 172.650 -2.499 18905 2219 1 4 . 1 1 69 69 PHE CA C 69 51.625 51.625 54.964 -3.339 18905 2220 1 4 . 1 1 69 69 PHE CB C 69 39.587 39.587 41.053 -1.466 18905 2221 1 4 . 1 1 69 69 PHE H H 69 6.750 6.750 7.405 -0.655 18905 2222 1 4 . 1 1 70 70 ALA N N 70 118.965 118.965 119.109 -0.144 18905 2223 1 4 . 1 1 70 70 ALA HA H 70 4.807 4.807 4.144 0.663 18905 2224 1 4 . 1 1 70 70 ALA C C 70 171.693 171.693 174.443 -2.750 18905 2225 1 4 . 1 1 70 70 ALA CA C 70 47.155 47.155 51.194 -4.039 18905 2226 1 4 . 1 1 70 70 ALA CB C 70 21.153 21.153 21.945 -0.792 18905 2227 1 4 . 1 1 70 70 ALA H H 70 8.526 8.526 7.945 0.581 18905 2228 1 4 . 1 1 71 71 PHE N N 71 117.469 117.469 117.522 -0.053 18905 2229 1 4 . 1 1 71 71 PHE HA H 71 5.537 5.537 5.598 -0.061 18905 2230 1 4 . 1 1 71 71 PHE C C 71 172.630 172.630 174.767 -2.137 18905 2231 1 4 . 1 1 71 71 PHE CA C 71 52.609 52.609 55.988 -3.379 18905 2232 1 4 . 1 1 71 71 PHE CB C 71 39.675 39.675 44.127 -4.452 18905 2233 1 4 . 1 1 71 71 PHE H H 71 8.824 8.824 8.810 0.014 18905 2234 1 4 . 1 1 72 72 ILE N N 72 122.867 122.867 120.974 1.893 18905 2235 1 4 . 1 1 72 72 ILE HA H 72 5.022 5.022 4.810 0.212 18905 2236 1 4 . 1 1 72 72 ILE CA C 72 56.881 56.881 60.316 -3.435 18905 2237 1 4 . 1 1 72 72 ILE CB C 72 37.031 37.031 41.361 -4.330 18905 2238 1 4 . 1 1 72 72 ILE H H 72 9.555 9.555 9.257 0.298 18905 2239 1 4 . 1 1 73 73 GLN N N 73 128.422 128.422 127.047 1.375 18905 2240 1 4 . 1 1 73 73 GLN HA H 73 5.170 5.170 4.189 0.981 18905 2241 1 4 . 1 1 73 73 GLN CA C 73 52.252 52.252 57.148 -4.896 18905 2242 1 4 . 1 1 73 73 GLN CB C 73 28.291 28.291 29.338 -1.047 18905 2243 1 4 . 1 1 73 73 GLN H H 73 8.964 8.964 8.419 0.545 18905 2244 1 4 . 1 1 74 74 LEU N N 74 126.707 126.707 125.260 1.447 18905 2245 1 4 . 1 1 74 74 LEU HA H 74 4.789 4.789 4.658 0.131 18905 2246 1 4 . 1 1 74 74 LEU CA C 74 50.617 50.617 53.501 -2.884 18905 2247 1 4 . 1 1 74 74 LEU CB C 74 44.885 44.885 45.644 -0.759 18905 2248 1 4 . 1 1 74 74 LEU H H 74 8.420 8.420 8.455 -0.035 18905 2249 1 4 . 1 1 75 75 SER HA H 75 4.284 4.284 4.708 -0.424 18905 2250 1 4 . 1 1 75 75 SER CA C 75 55.390 55.390 57.828 -2.438 18905 2251 1 4 . 1 1 75 75 SER CB C 75 61.275 61.275 64.893 -3.618 18905 2252 1 4 . 1 1 76 76 THR N N 76 116.193 116.193 117.523 -1.330 18905 2253 1 4 . 1 1 76 76 THR HA H 76 3.994 3.994 4.257 -0.263 18905 2254 1 4 . 1 1 76 76 THR C C 76 174.630 174.630 176.447 -1.817 18905 2255 1 4 . 1 1 76 76 THR CA C 76 64.225 64.225 66.354 -2.129 18905 2256 1 4 . 1 1 76 76 THR CB C 76 66.003 66.003 68.530 -2.527 18905 2257 1 4 . 1 1 76 76 THR H H 76 8.614 8.614 8.714 -0.100 18905 2258 1 4 . 1 1 77 77 ILE N N 77 120.400 120.400 120.967 -0.567 18905 2259 1 4 . 1 1 77 77 ILE HA H 77 3.911 3.911 3.912 -0.001 18905 2260 1 4 . 1 1 77 77 ILE C C 77 175.577 175.577 177.329 -1.752 18905 2261 1 4 . 1 1 77 77 ILE CA C 77 61.264 61.264 64.405 -3.141 18905 2262 1 4 . 1 1 77 77 ILE CB C 77 35.379 35.379 37.544 -2.165 18905 2263 1 4 . 1 1 77 77 ILE H H 77 8.044 8.044 8.212 -0.168 18905 2264 1 4 . 1 1 78 78 GLU N N 78 120.562 120.562 119.814 0.748 18905 2265 1 4 . 1 1 78 78 GLU HA H 78 4.062 4.062 3.966 0.096 18905 2266 1 4 . 1 1 78 78 GLU C C 78 176.596 176.596 178.425 -1.829 18905 2267 1 4 . 1 1 78 78 GLU CA C 78 56.355 56.355 59.738 -3.383 18905 2268 1 4 . 1 1 78 78 GLU CB C 78 27.668 27.668 28.849 -1.181 18905 2269 1 4 . 1 1 78 78 GLU H H 78 7.548 7.548 8.213 -0.665 18905 2270 1 4 . 1 1 79 79 ALA N N 79 122.789 122.789 121.593 1.196 18905 2271 1 4 . 1 1 79 79 ALA HA H 79 3.923 3.923 3.960 -0.037 18905 2272 1 4 . 1 1 79 79 ALA C C 79 175.736 175.736 178.953 -3.217 18905 2273 1 4 . 1 1 79 79 ALA CA C 79 52.649 52.649 54.894 -2.245 18905 2274 1 4 . 1 1 79 79 ALA CB C 79 15.305 15.305 18.095 -2.790 18905 2275 1 4 . 1 1 79 79 ALA H H 79 9.279 9.279 8.393 0.886 18905 2276 1 4 . 1 1 80 80 ALA N N 80 118.643 118.643 121.000 -2.357 18905 2277 1 4 . 1 1 80 80 ALA HA H 80 4.001 4.001 3.591 0.410 18905 2278 1 4 . 1 1 80 80 ALA C C 80 177.943 177.943 179.466 -1.523 18905 2279 1 4 . 1 1 80 80 ALA CA C 80 52.521 52.521 54.898 -2.377 18905 2280 1 4 . 1 1 80 80 ALA CB C 80 15.281 15.281 18.580 -3.299 18905 2281 1 4 . 1 1 80 80 ALA H H 80 7.688 7.688 7.340 0.348 18905 2282 1 4 . 1 1 81 81 GLN N N 81 116.877 116.877 117.843 -0.966 18905 2283 1 4 . 1 1 81 81 GLN HA H 81 4.015 4.015 4.001 0.014 18905 2284 1 4 . 1 1 81 81 GLN CA C 81 55.760 55.760 58.382 -2.622 18905 2285 1 4 . 1 1 81 81 GLN CB C 81 25.786 25.786 28.349 -2.563 18905 2286 1 4 . 1 1 81 81 GLN H H 81 7.593 7.593 8.308 -0.715 18905 2287 1 4 . 1 1 82 82 LEU N N 82 119.946 119.946 121.332 -1.386 18905 2288 1 4 . 1 1 82 82 LEU HA H 82 4.121 4.121 3.920 0.201 18905 2289 1 4 . 1 1 82 82 LEU C C 82 175.358 175.358 178.889 -3.531 18905 2290 1 4 . 1 1 82 82 LEU CA C 82 54.781 54.781 57.080 -2.299 18905 2291 1 4 . 1 1 82 82 LEU CB C 82 38.240 38.240 41.624 -3.384 18905 2292 1 4 . 1 1 82 82 LEU H H 82 8.258 8.258 7.546 0.712 18905 2293 1 4 . 1 1 83 83 LEU N N 83 119.288 119.288 119.775 -0.487 18905 2294 1 4 . 1 1 83 83 LEU HA H 83 3.585 3.585 3.784 -0.199 18905 2295 1 4 . 1 1 83 83 LEU C C 83 175.365 175.365 178.148 -2.783 18905 2296 1 4 . 1 1 83 83 LEU CA C 83 56.142 56.142 58.376 -2.234 18905 2297 1 4 . 1 1 83 83 LEU CB C 83 38.875 38.875 41.524 -2.649 18905 2298 1 4 . 1 1 83 83 LEU H H 83 8.407 8.407 7.823 0.584 18905 2299 1 4 . 1 1 84 84 GLN N N 84 115.391 115.391 117.509 -2.118 18905 2300 1 4 . 1 1 84 84 GLN HA H 84 3.878 3.878 4.104 -0.226 18905 2301 1 4 . 1 1 84 84 GLN C C 84 176.472 176.472 177.594 -1.122 18905 2302 1 4 . 1 1 84 84 GLN CA C 84 56.142 56.142 58.384 -2.242 18905 2303 1 4 . 1 1 84 84 GLN CB C 84 25.733 25.733 28.453 -2.720 18905 2304 1 4 . 1 1 84 84 GLN H H 84 7.347 7.347 7.717 -0.370 18905 2305 1 4 . 1 1 85 85 ILE N N 85 119.593 119.593 118.916 0.677 18905 2306 1 4 . 1 1 85 85 ILE HA H 85 3.607 3.607 3.870 -0.263 18905 2307 1 4 . 1 1 85 85 ILE CA C 85 61.779 61.779 63.217 -1.438 18905 2308 1 4 . 1 1 85 85 ILE CB C 85 35.948 35.948 38.530 -2.582 18905 2309 1 4 . 1 1 85 85 ILE H H 85 7.650 7.650 7.773 -0.123 18905 2310 1 4 . 1 1 86 86 LEU N N 86 116.537 116.537 121.500 -4.963 18905 2311 1 4 . 1 1 86 86 LEU HA H 86 3.757 3.757 3.950 -0.193 18905 2312 1 4 . 1 1 86 86 LEU C C 86 177.610 177.610 179.163 -1.553 18905 2313 1 4 . 1 1 86 86 LEU CA C 86 54.521 54.521 58.148 -3.627 18905 2314 1 4 . 1 1 86 86 LEU CB C 86 39.226 39.226 41.226 -2.000 18905 2315 1 4 . 1 1 86 86 LEU H H 86 8.410 8.410 8.352 0.058 18905 2316 1 4 . 1 1 87 87 GLN N N 87 115.959 115.959 117.472 -1.513 18905 2317 1 4 . 1 1 87 87 GLN HA H 87 4.009 4.009 4.052 -0.043 18905 2318 1 4 . 1 1 87 87 GLN C C 87 174.156 174.156 177.324 -3.168 18905 2319 1 4 . 1 1 87 87 GLN CA C 87 55.735 55.735 58.193 -2.458 18905 2320 1 4 . 1 1 87 87 GLN CB C 87 25.516 25.516 28.490 -2.974 18905 2321 1 4 . 1 1 87 87 GLN H H 87 8.406 8.406 8.029 0.377 18905 2322 1 4 . 1 1 88 88 ALA N N 88 120.044 120.044 120.176 -0.132 18905 2323 1 4 . 1 1 88 88 ALA HA H 88 4.338 4.338 4.430 -0.092 18905 2324 1 4 . 1 1 88 88 ALA C C 88 174.373 174.373 176.309 -1.936 18905 2325 1 4 . 1 1 88 88 ALA CA C 88 48.933 48.933 52.091 -3.158 18905 2326 1 4 . 1 1 88 88 ALA CB C 88 16.681 16.681 20.021 -3.340 18905 2327 1 4 . 1 1 88 88 ALA H H 88 7.110 7.110 7.617 -0.507 18905 2328 1 4 . 1 1 89 89 LEU N N 89 119.696 119.696 114.754 4.942 18905 2329 1 4 . 1 1 89 89 LEU HA H 89 3.929 3.929 4.851 -0.922 18905 2330 1 4 . 1 1 89 89 LEU C C 89 175.387 175.387 174.378 1.009 18905 2331 1 4 . 1 1 89 89 LEU CA C 89 53.364 53.364 54.699 -1.335 18905 2332 1 4 . 1 1 89 89 LEU CB C 89 39.775 39.775 44.075 -4.300 18905 2333 1 4 . 1 1 89 89 LEU H H 89 6.693 6.693 7.424 -0.731 18905 2334 1 4 . 1 1 90 90 HIS N N 90 120.136 120.136 116.691 3.445 18905 2335 1 4 . 1 1 90 90 HIS HA H 90 4.419 4.419 4.894 -0.475 18905 2336 1 4 . 1 1 90 90 HIS CA C 90 50.226 50.226 54.163 -3.937 18905 2337 1 4 . 1 1 90 90 HIS CB C 90 27.853 27.853 31.729 -3.876 18905 2338 1 4 . 1 1 90 90 HIS H H 90 8.299 8.299 8.422 -0.123 18905 2339 1 4 . 1 1 91 91 PRO HA H 91 4.367 4.367 4.714 -0.347 18905 2340 1 4 . 1 1 91 91 PRO CA C 91 60.550 60.550 61.453 -0.903 18905 2341 1 4 . 1 1 91 91 PRO CB C 91 29.416 29.416 31.564 -2.148 18905 2342 1 4 . 1 1 92 92 PRO HA H 92 4.815 4.815 4.360 0.455 18905 2343 1 4 . 1 1 92 92 PRO CA C 92 59.812 59.812 63.617 -3.805 18905 2344 1 4 . 1 1 92 92 PRO CB C 92 30.119 30.119 32.059 -1.940 18905 2345 1 4 . 1 1 93 93 LEU N N 93 121.469 121.469 122.183 -0.714 18905 2346 1 4 . 1 1 93 93 LEU HA H 93 3.954 3.954 4.470 -0.516 18905 2347 1 4 . 1 1 93 93 LEU CA C 93 53.500 53.500 55.060 -1.560 18905 2348 1 4 . 1 1 93 93 LEU CB C 93 39.889 39.889 41.288 -1.399 18905 2349 1 4 . 1 1 93 93 LEU H H 93 8.404 8.404 8.006 0.398 18905 2350 1 4 . 1 1 94 94 THR HA H 94 5.276 5.276 4.674 0.602 18905 2351 1 4 . 1 1 94 94 THR CA C 94 57.077 57.077 61.194 -4.117 18905 2352 1 4 . 1 1 94 94 THR CB C 94 69.076 69.076 68.542 0.534 18905 2353 1 4 . 1 1 95 95 ILE N N 95 121.239 121.239 124.878 -3.639 18905 2354 1 4 . 1 1 95 95 ILE HA H 95 4.184 4.184 3.979 0.205 18905 2355 1 4 . 1 1 95 95 ILE CA C 95 58.054 58.054 61.302 -3.248 18905 2356 1 4 . 1 1 95 95 ILE CB C 95 37.534 37.534 38.871 -1.337 18905 2357 1 4 . 1 1 95 95 ILE H H 95 8.317 8.317 8.464 -0.147 18905 2358 1 4 . 1 1 96 96 ASP N N 96 130.909 130.909 128.638 2.271 18905 2359 1 4 . 1 1 96 96 ASP HA H 96 4.292 4.292 4.186 0.106 18905 2360 1 4 . 1 1 96 96 ASP CA C 96 53.001 53.001 55.150 -2.149 18905 2361 1 4 . 1 1 96 96 ASP CB C 96 37.114 37.114 39.909 -2.795 18905 2362 1 4 . 1 1 96 96 ASP H H 96 9.837 9.837 9.047 0.790 18905 2363 1 4 . 1 1 97 97 GLY N N 97 102.578 102.578 103.733 -1.155 18905 2364 1 4 . 1 1 97 97 GLY C C 97 170.992 170.992 174.632 -3.640 18905 2365 1 4 . 1 1 97 97 GLY CA C 97 42.754 42.754 45.710 -2.956 18905 2366 1 4 . 1 1 97 97 GLY H H 97 8.638 8.638 8.001 0.637 18905 2367 1 4 . 1 1 98 98 LYS N N 98 120.330 120.330 122.916 -2.586 18905 2368 1 4 . 1 1 98 98 LYS HA H 98 4.629 4.629 4.481 0.148 18905 2369 1 4 . 1 1 98 98 LYS C C 98 172.675 172.675 176.411 -3.736 18905 2370 1 4 . 1 1 98 98 LYS CA C 98 50.304 50.304 54.700 -4.396 18905 2371 1 4 . 1 1 98 98 LYS CB C 98 31.136 31.136 31.157 -0.021 18905 2372 1 4 . 1 1 98 98 LYS H H 98 7.440 7.440 8.032 -0.592 18905 2373 1 4 . 1 1 99 99 THR N N 99 119.612 119.612 117.046 2.566 18905 2374 1 4 . 1 1 99 99 THR HA H 99 4.356 4.356 4.345 0.011 18905 2375 1 4 . 1 1 99 99 THR C C 99 171.511 171.511 174.186 -2.675 18905 2376 1 4 . 1 1 99 99 THR CA C 99 60.382 60.382 61.500 -1.118 18905 2377 1 4 . 1 1 99 99 THR CB C 99 65.967 65.967 69.477 -3.510 18905 2378 1 4 . 1 1 99 99 THR H H 99 8.626 8.626 7.946 0.680 18905 2379 1 4 . 1 1 100 100 ILE N N 100 129.389 129.389 123.462 5.927 18905 2380 1 4 . 1 1 100 100 ILE HA H 100 4.358 4.358 4.320 0.038 18905 2381 1 4 . 1 1 100 100 ILE C C 100 172.710 172.710 176.271 -3.561 18905 2382 1 4 . 1 1 100 100 ILE CA C 100 55.202 55.202 60.845 -5.643 18905 2383 1 4 . 1 1 100 100 ILE CB C 100 34.925 34.925 38.662 -3.737 18905 2384 1 4 . 1 1 100 100 ILE H H 100 8.463 8.463 8.488 -0.025 18905 2385 1 4 . 1 1 101 101 ASN N N 101 123.767 123.767 118.999 4.768 18905 2386 1 4 . 1 1 101 101 ASN HA H 101 4.904 4.904 5.191 -0.287 18905 2387 1 4 . 1 1 101 101 ASN C C 101 170.860 170.860 174.003 -3.143 18905 2388 1 4 . 1 1 101 101 ASN CA C 101 49.884 49.884 51.163 -1.279 18905 2389 1 4 . 1 1 101 101 ASN CB C 101 38.364 38.364 41.714 -3.350 18905 2390 1 4 . 1 1 101 101 ASN H H 101 7.878 7.878 8.457 -0.579 18905 2391 1 4 . 1 1 102 102 VAL N N 102 122.207 122.207 122.074 0.133 18905 2392 1 4 . 1 1 102 102 VAL HA H 102 4.933 4.933 4.292 0.641 18905 2393 1 4 . 1 1 102 102 VAL C C 102 175.222 175.222 174.134 1.088 18905 2394 1 4 . 1 1 102 102 VAL CA C 102 57.981 57.981 60.702 -2.721 18905 2395 1 4 . 1 1 102 102 VAL CB C 102 31.183 31.183 33.987 -2.804 18905 2396 1 4 . 1 1 102 102 VAL H H 102 8.503 8.503 8.594 -0.091 18905 2397 1 4 . 1 1 103 103 GLU N N 103 124.079 124.079 126.294 -2.215 18905 2398 1 4 . 1 1 103 103 GLU HA H 103 4.557 4.557 4.485 0.072 18905 2399 1 4 . 1 1 103 103 GLU CA C 103 51.772 51.772 56.274 -4.502 18905 2400 1 4 . 1 1 103 103 GLU CB C 103 31.226 31.226 33.953 -2.727 18905 2401 1 4 . 1 1 103 103 GLU H H 103 8.627 8.627 8.494 0.133 18905 2402 1 4 . 1 1 104 104 PHE N N 104 121.287 121.287 123.566 -2.279 18905 2403 1 4 . 1 1 104 104 PHE HA H 104 5.047 5.047 5.064 -0.017 18905 2404 1 4 . 1 1 104 104 PHE C C 104 173.023 173.023 174.606 -1.583 18905 2405 1 4 . 1 1 104 104 PHE CA C 104 55.305 55.305 55.721 -0.416 18905 2406 1 4 . 1 1 104 104 PHE CB C 104 38.342 38.342 40.220 -1.878 18905 2407 1 4 . 1 1 104 104 PHE H H 104 8.778 8.778 8.826 -0.048 18905 2408 1 4 . 1 1 105 105 ALA N N 105 127.703 127.703 131.658 -3.955 18905 2409 1 4 . 1 1 105 105 ALA HA H 105 4.278 4.278 4.260 0.018 18905 2410 1 4 . 1 1 105 105 ALA C C 105 172.939 172.939 176.133 -3.194 18905 2411 1 4 . 1 1 105 105 ALA CA C 105 48.936 48.936 51.573 -2.637 18905 2412 1 4 . 1 1 105 105 ALA CB C 105 17.822 17.822 17.803 0.019 18905 2413 1 4 . 1 1 105 105 ALA H H 105 8.630 8.630 8.881 -0.251 18905 2414 1 4 . 1 1 106 106 LYS N N 106 121.259 121.259 120.340 0.919 18905 2415 1 4 . 1 1 106 106 LYS HA H 106 4.211 4.211 4.202 0.009 18905 2416 1 4 . 1 1 106 106 LYS C C 106 174.939 174.939 177.841 -2.902 18905 2417 1 4 . 1 1 106 106 LYS CA C 106 52.995 52.995 56.023 -3.028 18905 2418 1 4 . 1 1 106 106 LYS CB C 106 30.290 30.290 32.036 -1.746 18905 2419 1 4 . 1 1 106 106 LYS H H 106 8.289 8.289 6.756 1.533 18905 2420 1 4 . 1 1 107 107 GLY N N 107 111.965 111.965 115.499 -3.534 18905 2421 1 4 . 1 1 107 107 GLY C C 107 171.215 171.215 174.037 -2.822 18905 2422 1 4 . 1 1 107 107 GLY CA C 107 42.651 42.651 46.081 -3.430 18905 2423 1 4 . 1 1 107 107 GLY H H 107 8.921 8.921 8.354 0.567 18905 2424 1 4 . 1 1 108 108 SER N N 108 114.479 114.479 111.547 2.932 18905 2425 1 4 . 1 1 108 108 SER HA H 108 4.294 4.294 4.474 -0.180 18905 2426 1 4 . 1 1 108 108 SER C C 108 172.040 172.040 173.012 -0.972 18905 2427 1 4 . 1 1 108 108 SER CA C 108 55.336 55.336 57.063 -1.727 18905 2428 1 4 . 1 1 108 108 SER H H 108 8.197 8.197 7.673 0.524 18905 2429 1 4 . 1 1 109 109 LYS N N 109 123.374 123.374 121.459 1.915 18905 2430 1 4 . 1 1 109 109 LYS HA H 109 4.198 4.198 4.357 -0.159 18905 2431 1 4 . 1 1 109 109 LYS C C 109 173.967 173.967 175.605 -1.638 18905 2432 1 4 . 1 1 109 109 LYS CA C 109 53.730 53.730 57.102 -3.372 18905 2433 1 4 . 1 1 109 109 LYS CB C 109 30.137 30.137 32.892 -2.755 18905 2434 1 4 . 1 1 109 109 LYS H H 109 8.306 8.306 8.324 -0.018 18905 2435 1 4 . 1 1 110 110 ARG N N 110 134.189 134.189 124.850 9.339 18905 2436 1 4 . 1 1 110 110 ARG HA H 110 4.542 4.542 4.461 0.081 18905 2437 1 4 . 1 1 110 110 ARG C C 110 173.119 173.119 174.651 -1.532 18905 2438 1 4 . 1 1 110 110 ARG CA C 110 52.474 52.474 55.454 -2.980 18905 2439 1 4 . 1 1 110 110 ARG CB C 110 32.296 32.296 32.534 -0.238 18905 2440 1 4 . 1 1 111 111 ASP N N 111 123.210 123.210 122.134 1.076 18905 2441 1 4 . 1 1 111 111 ASP HA H 111 4.519 4.519 4.907 -0.388 18905 2442 1 4 . 1 1 111 111 ASP C C 111 174.187 174.187 175.144 -0.957 18905 2443 1 4 . 1 1 111 111 ASP CA C 111 52.307 52.307 53.987 -1.681 18905 2444 1 4 . 1 1 111 111 ASP CB C 111 40.206 40.206 39.963 0.243 18905 2445 1 4 . 1 1 111 111 ASP H H 111 8.523 8.523 8.605 -0.082 18905 2446 1 4 . 1 1 112 112 MET HA H 112 4.330 4.330 4.776 -0.446 18905 2447 1 4 . 1 1 112 112 MET CA C 112 53.074 53.074 55.739 -2.665 18905 2448 1 4 . 1 1 112 112 MET CB C 112 30.057 30.057 34.957 -4.900 18905 2449 1 4 . 1 1 113 113 ALA N N 113 124.061 124.061 125.989 -1.928 18905 2450 1 4 . 1 1 113 113 ALA HA H 113 4.229 4.229 4.761 -0.531 18905 2451 1 4 . 1 1 113 113 ALA C C 113 175.243 175.243 175.463 -0.220 18905 2452 1 4 . 1 1 113 113 ALA CA C 113 49.967 49.967 51.973 -2.006 18905 2453 1 4 . 1 1 113 113 ALA CB C 113 16.436 16.436 20.524 -4.088 18905 2454 1 4 . 1 1 113 113 ALA H H 113 8.214 8.214 8.386 -0.172 18905 2455 1 4 . 1 1 114 114 SER N N 114 114.286 114.286 113.307 0.979 18905 2456 1 4 . 1 1 114 114 SER HA H 114 4.376 4.376 4.896 -0.520 18905 2457 1 4 . 1 1 114 114 SER CA C 114 55.596 55.596 58.197 -2.602 18905 2458 1 4 . 1 1 114 114 SER CB C 114 61.009 61.009 64.640 -3.631 18905 2459 1 4 . 1 1 114 114 SER H H 114 8.124 8.124 8.667 -0.543 18905 2460 1 4 . 1 1 119 119 ARG N N 119 122.813 122.813 126.220 -3.407 18905 2461 1 4 . 1 1 119 119 ARG HA H 119 4.294 4.294 4.765 -0.471 18905 2462 1 4 . 1 1 119 119 ARG C C 119 173.654 173.654 174.459 -0.805 18905 2463 1 4 . 1 1 119 119 ARG CA C 119 53.701 53.701 56.389 -2.688 18905 2464 1 4 . 1 1 119 119 ARG CB C 119 28.140 28.140 30.196 -2.056 18905 2465 1 4 . 1 1 119 119 ARG H H 119 8.246 8.246 8.733 -0.487 18905 2466 1 4 . 1 1 120 120 ILE N N 120 121.624 121.624 123.376 -1.752 18905 2467 1 4 . 1 1 120 120 ILE HA H 120 4.099 4.099 4.600 -0.501 18905 2468 1 4 . 1 1 120 120 ILE C C 120 173.651 173.651 175.478 -1.827 18905 2469 1 4 . 1 1 120 120 ILE CA C 120 58.593 58.593 60.236 -1.643 18905 2470 1 4 . 1 1 120 120 ILE CB C 120 36.091 36.091 40.056 -3.965 18905 2471 1 4 . 1 1 120 120 ILE H H 120 8.084 8.084 8.125 -0.041 18905 2472 1 4 . 1 1 121 121 SER N N 121 119.953 119.953 121.517 -1.564 18905 2473 1 4 . 1 1 121 121 SER HA H 121 4.378 4.378 4.880 -0.502 18905 2474 1 4 . 1 1 121 121 SER C C 121 170.780 170.780 172.838 -2.058 18905 2475 1 4 . 1 1 121 121 SER CA C 121 55.506 55.506 57.613 -2.107 18905 2476 1 4 . 1 1 121 121 SER CB C 121 61.571 61.571 65.042 -3.471 18905 2477 1 4 . 1 1 121 121 SER H H 121 8.300 8.300 8.333 -0.033 18905 2478 1 4 . 1 1 123 123 ALA N N 123 119.892 119.892 123.009 -3.117 18905 2479 1 4 . 1 1 123 123 ALA HA H 123 4.102 4.102 5.099 -0.997 18905 2480 1 4 . 1 1 123 123 ALA CA C 123 58.473 58.473 53.222 5.251 18905 2481 1 4 . 1 1 123 123 ALA H H 123 8.305 8.305 9.167 -0.862 18905 2482 1 4 . 1 1 124 124 SER N N 124 122.264 122.264 114.955 7.309 18905 2483 1 4 . 1 1 124 124 SER HA H 124 4.384 4.384 4.784 -0.400 18905 2484 1 4 . 1 1 124 124 SER CA C 124 55.632 55.632 57.966 -2.334 18905 2485 1 4 . 1 1 124 124 SER CB C 124 60.925 60.925 64.889 -3.964 18905 2486 1 4 . 1 1 124 124 SER H H 124 8.353 8.353 8.197 0.156 18905 2487 1 4 . 1 1 125 125 VAL N N 125 121.433 121.433 121.641 -0.208 18905 2488 1 4 . 1 1 125 125 VAL HA H 125 4.073 4.073 4.356 -0.283 18905 2489 1 4 . 1 1 125 125 VAL C C 125 173.240 173.240 174.979 -1.739 18905 2490 1 4 . 1 1 125 125 VAL CA C 125 59.588 59.588 62.795 -3.207 18905 2491 1 4 . 1 1 125 125 VAL CB C 125 30.198 30.198 33.451 -3.253 18905 2492 1 4 . 1 1 125 125 VAL H H 125 8.014 8.014 8.428 -0.414 18905 2493 1 4 . 1 1 126 126 ALA N N 126 127.185 127.185 130.137 -2.952 18905 2494 1 4 . 1 1 126 126 ALA HA H 126 4.278 4.278 4.711 -0.433 18905 2495 1 4 . 1 1 126 126 ALA C C 126 175.118 175.118 176.122 -1.004 18905 2496 1 4 . 1 1 126 126 ALA CA C 126 49.919 49.919 51.948 -2.029 18905 2497 1 4 . 1 1 126 126 ALA CB C 126 16.532 16.532 19.996 -3.464 18905 2498 1 4 . 1 1 126 126 ALA H H 126 8.277 8.277 8.406 -0.129 18905 2499 1 4 . 1 1 127 127 SER N N 127 115.148 115.148 115.841 -0.693 18905 2500 1 4 . 1 1 127 127 SER HA H 127 4.420 4.420 4.706 -0.286 18905 2501 1 4 . 1 1 127 127 SER C C 127 172.168 172.168 174.044 -1.876 18905 2502 1 4 . 1 1 127 127 SER CA C 127 55.770 55.770 58.486 -2.716 18905 2503 1 4 . 1 1 127 127 SER CB C 127 58.992 58.992 63.648 -4.656 18905 2504 1 4 . 1 1 127 127 SER H H 127 8.249 8.249 8.739 -0.490 18905 2505 1 4 . 1 1 128 128 THR N N 128 115.498 115.498 114.314 1.184 18905 2506 1 4 . 1 1 128 128 THR C C 128 171.392 171.392 172.602 -1.210 18905 2507 1 4 . 1 1 128 128 THR CA C 128 59.083 59.083 60.745 -1.661 18905 2508 1 4 . 1 1 128 128 THR H H 128 8.050 8.050 8.216 -0.166 18905 2509 1 4 . 1 1 129 129 ALA N N 129 126.543 126.543 125.089 1.454 18905 2510 1 4 . 1 1 129 129 ALA HA H 129 4.236 4.236 4.831 -0.595 18905 2511 1 4 . 1 1 129 129 ALA C C 129 174.650 174.650 175.515 -0.865 18905 2512 1 4 . 1 1 129 129 ALA CA C 129 49.794 49.794 51.391 -1.597 18905 2513 1 4 . 1 1 129 129 ALA CB C 129 16.538 16.538 20.218 -3.680 18905 2514 1 4 . 1 1 129 129 ALA H H 129 8.160 8.160 8.785 -0.625 18905 2515 1 4 . 1 1 130 130 ILE N N 130 120.371 120.371 119.870 0.501 18905 2516 1 4 . 1 1 130 130 ILE HA H 130 4.099 4.099 4.146 -0.047 18905 2517 1 4 . 1 1 130 130 ILE C C 130 173.651 173.651 174.839 -1.188 18905 2518 1 4 . 1 1 130 130 ILE CA C 130 58.513 58.513 61.276 -2.763 18905 2519 1 4 . 1 1 130 130 ILE CB C 130 36.091 36.091 38.750 -2.659 18905 2520 1 4 . 1 1 130 130 ILE H H 130 8.043 8.043 8.322 -0.279 18905 2521 1 5 . 1 1 4 4 GLY N N 4 110.117 110.117 108.507 1.610 18905 2522 1 5 . 1 1 4 4 GLY C C 4 171.413 171.413 172.883 -1.470 18905 2523 1 5 . 1 1 4 4 GLY CA C 4 42.667 42.667 44.511 -1.844 18905 2524 1 5 . 1 1 4 4 GLY H H 4 8.391 8.391 8.749 -0.358 18905 2525 1 5 . 1 1 5 5 VAL N N 5 119.501 119.501 118.629 0.872 18905 2526 1 5 . 1 1 5 5 VAL HA H 5 4.018 4.018 4.139 -0.121 18905 2527 1 5 . 1 1 5 5 VAL C C 5 173.738 173.738 175.243 -1.505 18905 2528 1 5 . 1 1 5 5 VAL CA C 5 59.923 59.923 62.726 -2.803 18905 2529 1 5 . 1 1 5 5 VAL CB C 5 30.111 30.111 32.554 -2.443 18905 2530 1 5 . 1 1 5 5 VAL H H 5 7.951 7.951 8.269 -0.318 18905 2531 1 5 . 1 1 6 6 LEU N N 6 125.484 125.484 123.574 1.910 18905 2532 1 5 . 1 1 6 6 LEU HA H 6 4.280 4.280 4.651 -0.371 18905 2533 1 5 . 1 1 6 6 LEU C C 6 174.708 174.708 175.681 -0.973 18905 2534 1 5 . 1 1 6 6 LEU CA C 6 52.535 52.535 54.239 -1.704 18905 2535 1 5 . 1 1 6 6 LEU CB C 6 39.586 39.586 43.299 -3.713 18905 2536 1 5 . 1 1 6 6 LEU H H 6 8.248 8.248 8.167 0.081 18905 2537 1 5 . 1 1 7 7 ALA N N 7 124.939 124.939 123.404 1.535 18905 2538 1 5 . 1 1 7 7 ALA HA H 7 4.234 4.234 4.619 -0.385 18905 2539 1 5 . 1 1 7 7 ALA C C 7 174.865 174.865 175.879 -1.014 18905 2540 1 5 . 1 1 7 7 ALA CA C 7 50.136 50.136 51.670 -1.534 18905 2541 1 5 . 1 1 7 7 ALA CB C 7 16.500 16.500 20.970 -4.470 18905 2542 1 5 . 1 1 7 7 ALA H H 7 8.241 8.241 8.341 -0.100 18905 2543 1 5 . 1 1 8 8 SER N N 8 117.901 117.901 113.185 4.716 18905 2544 1 5 . 1 1 8 8 SER HA H 8 4.377 4.377 4.749 -0.372 18905 2545 1 5 . 1 1 8 8 SER C C 8 172.221 172.221 172.550 -0.329 18905 2546 1 5 . 1 1 8 8 SER CA C 8 56.008 56.008 58.033 -2.025 18905 2547 1 5 . 1 1 8 8 SER CB C 8 61.008 61.008 65.151 -4.143 18905 2548 1 5 . 1 1 8 8 SER H H 8 8.347 8.347 8.316 0.031 18905 2549 1 5 . 1 1 9 9 GLN N N 9 122.019 122.019 119.218 2.801 18905 2550 1 5 . 1 1 9 9 GLN HA H 9 4.302 4.302 4.909 -0.607 18905 2551 1 5 . 1 1 9 9 GLN C C 9 173.160 173.160 174.376 -1.216 18905 2552 1 5 . 1 1 9 9 GLN CA C 9 53.470 53.470 54.870 -1.401 18905 2553 1 5 . 1 1 9 9 GLN CB C 9 26.663 26.663 30.653 -3.990 18905 2554 1 5 . 1 1 9 9 GLN H H 9 8.240 8.240 8.100 0.140 18905 2555 1 5 . 1 1 10 10 ALA N N 10 124.490 124.490 122.392 2.098 18905 2556 1 5 . 1 1 10 10 ALA HA H 10 4.238 4.238 5.240 -1.002 18905 2557 1 5 . 1 1 10 10 ALA C C 10 175.142 175.142 175.647 -0.505 18905 2558 1 5 . 1 1 10 10 ALA CA C 10 50.121 50.121 51.314 -1.193 18905 2559 1 5 . 1 1 10 10 ALA CB C 10 16.322 16.322 20.902 -4.580 18905 2560 1 5 . 1 1 10 10 ALA H H 10 8.132 8.132 8.787 -0.655 18905 2561 1 5 . 1 1 11 11 LEU N N 11 120.785 120.785 117.516 3.269 18905 2562 1 5 . 1 1 11 11 LEU HA H 11 4.278 4.278 4.844 -0.566 18905 2563 1 5 . 1 1 11 11 LEU C C 11 174.929 174.929 174.876 0.053 18905 2564 1 5 . 1 1 11 11 LEU CA C 11 52.612 52.612 54.290 -1.678 18905 2565 1 5 . 1 1 11 11 LEU CB C 11 39.647 39.647 43.427 -3.780 18905 2566 1 5 . 1 1 11 11 LEU H H 11 8.088 8.088 8.191 -0.103 18905 2567 1 5 . 1 1 12 12 SER N N 12 116.121 116.121 115.227 0.894 18905 2568 1 5 . 1 1 12 12 SER C C 12 171.977 171.977 172.653 -0.676 18905 2569 1 5 . 1 1 12 12 SER CA C 12 55.621 55.621 57.562 -1.941 18905 2570 1 5 . 1 1 12 12 SER CB C 12 56.041 56.041 64.619 -8.578 18905 2571 1 5 . 1 1 12 12 SER H H 12 8.170 8.170 8.643 -0.473 18905 2572 1 5 . 1 1 13 13 GLN N N 13 122.139 122.139 121.110 1.029 18905 2573 1 5 . 1 1 13 13 GLN HA H 13 4.312 4.312 4.490 -0.178 18905 2574 1 5 . 1 1 13 13 GLN CA C 13 54.059 54.059 55.715 -1.656 18905 2575 1 5 . 1 1 13 13 GLN H H 13 8.368 8.368 8.393 -0.025 18905 2576 1 5 . 1 1 14 14 GLY N N 14 109.259 109.259 107.212 2.047 18905 2577 1 5 . 1 1 14 14 GLY CA C 14 42.970 42.970 44.631 -1.661 18905 2578 1 5 . 1 1 14 14 GLY H H 14 8.378 8.378 8.206 0.172 18905 2579 1 5 . 1 1 15 15 SER N N 15 115.486 115.486 114.537 0.949 18905 2580 1 5 . 1 1 15 15 SER HA H 15 4.378 4.378 4.889 -0.511 18905 2581 1 5 . 1 1 15 15 SER CA C 15 55.853 55.853 57.810 -1.958 18905 2582 1 5 . 1 1 15 15 SER CB C 15 59.406 59.406 65.848 -6.442 18905 2583 1 5 . 1 1 15 15 SER H H 15 8.085 8.085 8.102 -0.017 18905 2584 1 5 . 1 1 16 16 GLU N N 16 120.501 120.501 122.232 -1.731 18905 2585 1 5 . 1 1 16 16 GLU HA H 16 4.664 4.664 4.807 -0.143 18905 2586 1 5 . 1 1 16 16 GLU CA C 16 50.628 50.628 54.103 -3.475 18905 2587 1 5 . 1 1 16 16 GLU CB C 16 36.442 36.442 31.481 4.961 18905 2588 1 5 . 1 1 16 16 GLU H H 16 8.376 8.376 8.730 -0.354 18905 2589 1 5 . 1 1 17 17 PRO CA C 17 65.700 65.700 62.807 2.893 18905 2590 1 5 . 1 1 22 22 ALA N N 22 124.130 124.130 124.207 -0.077 18905 2591 1 5 . 1 1 22 22 ALA HA H 22 4.178 4.178 4.824 -0.645 18905 2592 1 5 . 1 1 22 22 ALA CA C 22 49.746 49.746 51.517 -1.771 18905 2593 1 5 . 1 1 22 22 ALA CB C 22 16.789 16.789 22.436 -5.647 18905 2594 1 5 . 1 1 22 22 ALA H H 22 8.096 8.096 7.969 0.127 18905 2595 1 5 . 1 1 23 23 ASN N N 23 117.516 117.516 118.038 -0.522 18905 2596 1 5 . 1 1 23 23 ASN HA H 23 4.672 4.672 4.893 -0.221 18905 2597 1 5 . 1 1 23 23 ASN C C 23 171.179 171.179 173.181 -2.002 18905 2598 1 5 . 1 1 23 23 ASN CA C 23 50.084 50.084 52.743 -2.659 18905 2599 1 5 . 1 1 23 23 ASN CB C 23 36.737 36.737 40.281 -3.544 18905 2600 1 5 . 1 1 23 23 ASN H H 23 8.037 8.037 8.397 -0.360 18905 2601 1 5 . 1 1 24 24 ASP N N 24 118.387 118.387 127.524 -9.137 18905 2602 1 5 . 1 1 24 24 ASP HA H 24 4.676 4.676 5.100 -0.424 18905 2603 1 5 . 1 1 24 24 ASP CA C 24 50.660 50.660 54.146 -3.486 18905 2604 1 5 . 1 1 24 24 ASP CB C 24 40.670 40.670 41.672 -1.002 18905 2605 1 5 . 1 1 24 24 ASP H H 24 8.198 8.198 8.619 -0.421 18905 2606 1 5 . 1 1 25 25 THR N N 25 114.224 114.224 119.263 -5.039 18905 2607 1 5 . 1 1 25 25 THR HA H 25 5.275 5.275 4.753 0.522 18905 2608 1 5 . 1 1 25 25 THR CA C 25 59.162 59.162 61.411 -2.249 18905 2609 1 5 . 1 1 25 25 THR CB C 25 68.849 68.849 71.792 -2.943 18905 2610 1 5 . 1 1 25 25 THR H H 25 8.090 8.090 7.863 0.227 18905 2611 1 5 . 1 1 26 26 ILE N N 26 126.637 126.637 124.148 2.489 18905 2612 1 5 . 1 1 26 26 ILE HA H 26 4.650 4.650 4.411 0.239 18905 2613 1 5 . 1 1 26 26 ILE C C 26 171.500 171.500 174.712 -3.212 18905 2614 1 5 . 1 1 26 26 ILE CA C 26 56.930 56.930 59.286 -2.356 18905 2615 1 5 . 1 1 26 26 ILE CB C 26 38.159 38.159 39.078 -0.919 18905 2616 1 5 . 1 1 26 26 ILE H H 26 9.314 9.314 8.890 0.424 18905 2617 1 5 . 1 1 27 27 ILE N N 27 126.764 126.764 123.727 3.037 18905 2618 1 5 . 1 1 27 27 ILE HA H 27 4.955 4.955 4.937 0.018 18905 2619 1 5 . 1 1 27 27 ILE C C 27 171.462 171.462 173.729 -2.267 18905 2620 1 5 . 1 1 27 27 ILE CA C 27 56.909 56.909 58.869 -1.960 18905 2621 1 5 . 1 1 27 27 ILE CB C 27 38.397 38.397 42.926 -4.529 18905 2622 1 5 . 1 1 27 27 ILE H H 27 9.280 9.280 8.558 0.722 18905 2623 1 5 . 1 1 28 28 LEU N N 28 125.666 125.666 124.144 1.522 18905 2624 1 5 . 1 1 28 28 LEU HA H 28 4.858 4.858 5.224 -0.366 18905 2625 1 5 . 1 1 28 28 LEU C C 28 172.714 172.714 176.418 -3.704 18905 2626 1 5 . 1 1 28 28 LEU CA C 28 50.153 50.153 52.818 -2.665 18905 2627 1 5 . 1 1 28 28 LEU CB C 28 39.943 39.943 43.846 -3.903 18905 2628 1 5 . 1 1 28 28 LEU H H 28 8.791 8.791 8.639 0.152 18905 2629 1 5 . 1 1 29 29 ARG N N 29 119.656 119.656 118.868 0.788 18905 2630 1 5 . 1 1 29 29 ARG HA H 29 5.023 5.023 5.086 -0.063 18905 2631 1 5 . 1 1 29 29 ARG C C 29 172.927 172.927 176.384 -3.457 18905 2632 1 5 . 1 1 29 29 ARG CA C 29 51.933 51.933 54.637 -2.704 18905 2633 1 5 . 1 1 29 29 ARG CB C 29 31.298 31.298 33.596 -2.298 18905 2634 1 5 . 1 1 29 29 ARG H H 29 8.742 8.742 8.646 0.096 18905 2635 1 5 . 1 1 30 30 ASN N N 30 115.104 115.104 115.257 -0.153 18905 2636 1 5 . 1 1 30 30 ASN HA H 30 4.319 4.319 4.354 -0.035 18905 2637 1 5 . 1 1 30 30 ASN C C 30 172.025 172.025 174.456 -2.431 18905 2638 1 5 . 1 1 30 30 ASN CA C 30 51.550 51.550 54.422 -2.872 18905 2639 1 5 . 1 1 30 30 ASN CB C 30 35.656 35.656 37.852 -2.196 18905 2640 1 5 . 1 1 30 30 ASN H H 30 8.292 8.292 8.712 -0.420 18905 2641 1 5 . 1 1 31 31 LEU N N 31 113.394 113.394 117.602 -4.208 18905 2642 1 5 . 1 1 31 31 LEU HA H 31 3.915 3.915 4.279 -0.364 18905 2643 1 5 . 1 1 31 31 LEU C C 31 175.815 175.815 176.805 -0.990 18905 2644 1 5 . 1 1 31 31 LEU CA C 31 52.148 52.148 55.014 -2.866 18905 2645 1 5 . 1 1 31 31 LEU CB C 31 39.876 39.876 42.259 -2.383 18905 2646 1 5 . 1 1 31 31 LEU H H 31 7.602 7.602 7.331 0.271 18905 2647 1 5 . 1 1 32 32 ASN N N 32 123.357 123.357 120.446 2.911 18905 2648 1 5 . 1 1 32 32 ASN HA H 32 4.476 4.476 4.945 -0.469 18905 2649 1 5 . 1 1 32 32 ASN CA C 32 48.784 48.784 51.256 -2.472 18905 2650 1 5 . 1 1 32 32 ASN CB C 32 36.284 36.284 38.763 -2.479 18905 2651 1 5 . 1 1 32 32 ASN H H 32 9.816 9.816 8.715 1.101 18905 2652 1 5 . 1 1 33 33 PRO HA H 33 4.339 4.339 4.143 0.196 18905 2653 1 5 . 1 1 33 33 PRO CA C 33 61.514 61.514 65.488 -3.974 18905 2654 1 5 . 1 1 33 33 PRO CB C 33 30.320 30.320 31.646 -1.326 18905 2655 1 5 . 1 1 34 34 HIS N N 34 111.187 111.187 114.348 -3.161 18905 2656 1 5 . 1 1 34 34 HIS HA H 34 4.402 4.402 4.644 -0.242 18905 2657 1 5 . 1 1 34 34 HIS CA C 34 53.125 53.125 55.447 -2.322 18905 2658 1 5 . 1 1 34 34 HIS CB C 34 25.760 25.760 28.973 -3.213 18905 2659 1 5 . 1 1 34 34 HIS H H 34 8.856 8.856 8.304 0.552 18905 2660 1 5 . 1 1 35 35 SER N N 35 118.219 118.219 115.097 3.122 18905 2661 1 5 . 1 1 35 35 SER HA H 35 4.718 4.718 4.321 0.397 18905 2662 1 5 . 1 1 35 35 SER CB C 35 60.222 60.222 63.880 -3.658 18905 2663 1 5 . 1 1 35 35 SER H H 35 8.262 8.262 7.612 0.650 18905 2664 1 5 . 1 1 36 36 THR N N 36 114.157 114.157 113.120 1.037 18905 2665 1 5 . 1 1 36 36 THR HA H 36 4.545 4.545 4.753 -0.208 18905 2666 1 5 . 1 1 36 36 THR CA C 36 56.508 56.508 60.198 -3.690 18905 2667 1 5 . 1 1 36 36 THR CB C 36 70.051 70.051 71.467 -1.416 18905 2668 1 5 . 1 1 36 36 THR H H 36 8.451 8.451 8.057 0.394 18905 2669 1 5 . 1 1 37 37 MET N N 37 119.815 119.815 121.592 -1.777 18905 2670 1 5 . 1 1 37 37 MET HA H 37 3.943 3.943 4.103 -0.160 18905 2671 1 5 . 1 1 37 37 MET CA C 37 56.204 56.204 58.001 -1.797 18905 2672 1 5 . 1 1 37 37 MET CB C 37 28.959 28.959 31.871 -2.912 18905 2673 1 5 . 1 1 37 37 MET H H 37 8.928 8.928 8.996 -0.068 18905 2674 1 5 . 1 1 38 38 ASP N N 38 115.357 115.357 116.279 -0.922 18905 2675 1 5 . 1 1 38 38 ASP HA H 38 4.301 4.301 4.423 -0.122 18905 2676 1 5 . 1 1 38 38 ASP CA C 38 54.750 54.750 57.776 -3.026 18905 2677 1 5 . 1 1 38 38 ASP CB C 38 37.934 37.934 40.209 -2.275 18905 2678 1 5 . 1 1 38 38 ASP H H 38 8.096 8.096 8.851 -0.755 18905 2679 1 5 . 1 1 39 39 SER N N 39 118.933 118.933 114.726 4.207 18905 2680 1 5 . 1 1 39 39 SER HA H 39 4.253 4.253 4.122 0.131 18905 2681 1 5 . 1 1 39 39 SER C C 39 174.818 174.818 175.216 -0.398 18905 2682 1 5 . 1 1 39 39 SER CA C 39 58.767 58.767 61.289 -2.522 18905 2683 1 5 . 1 1 39 39 SER CB C 39 61.631 61.631 63.000 -1.369 18905 2684 1 5 . 1 1 39 39 SER H H 39 8.088 8.088 8.556 -0.468 18905 2685 1 5 . 1 1 40 40 ILE N N 40 124.376 124.376 119.301 5.075 18905 2686 1 5 . 1 1 40 40 ILE HA H 40 3.538 3.538 4.058 -0.520 18905 2687 1 5 . 1 1 40 40 ILE C C 40 174.358 174.358 176.713 -2.355 18905 2688 1 5 . 1 1 40 40 ILE CA C 40 62.936 62.936 63.453 -0.517 18905 2689 1 5 . 1 1 40 40 ILE CB C 40 35.725 35.725 38.628 -2.903 18905 2690 1 5 . 1 1 40 40 ILE H H 40 8.009 8.009 7.789 0.220 18905 2691 1 5 . 1 1 41 41 LEU N N 41 117.914 117.914 121.061 -3.147 18905 2692 1 5 . 1 1 41 41 LEU HA H 41 3.818 3.818 3.894 -0.076 18905 2693 1 5 . 1 1 41 41 LEU C C 41 178.292 178.292 178.920 -0.628 18905 2694 1 5 . 1 1 41 41 LEU CA C 41 55.496 55.496 58.223 -2.727 18905 2695 1 5 . 1 1 41 41 LEU CB C 41 38.574 38.574 41.898 -3.324 18905 2696 1 5 . 1 1 41 41 LEU H H 41 8.574 8.574 8.331 0.243 18905 2697 1 5 . 1 1 42 42 GLY N N 42 105.053 105.053 102.749 2.304 18905 2698 1 5 . 1 1 42 42 GLY C C 42 173.318 173.318 173.983 -0.665 18905 2699 1 5 . 1 1 42 42 GLY CA C 42 44.283 44.283 45.125 -0.842 18905 2700 1 5 . 1 1 42 42 GLY H H 42 8.207 8.207 8.151 0.056 18905 2701 1 5 . 1 1 43 43 ALA N N 43 122.411 122.411 123.085 -0.674 18905 2702 1 5 . 1 1 43 43 ALA HA H 43 4.245 4.245 4.285 -0.040 18905 2703 1 5 . 1 1 43 43 ALA C C 43 176.200 176.200 178.401 -2.201 18905 2704 1 5 . 1 1 43 43 ALA CA C 43 51.148 51.148 53.625 -2.477 18905 2705 1 5 . 1 1 43 43 ALA CB C 43 17.381 17.381 19.752 -2.371 18905 2706 1 5 . 1 1 43 43 ALA H H 43 7.571 7.571 7.392 0.179 18905 2707 1 5 . 1 1 44 44 LEU N N 44 113.121 113.121 117.641 -4.520 18905 2708 1 5 . 1 1 44 44 LEU HA H 44 4.514 4.514 4.759 -0.245 18905 2709 1 5 . 1 1 44 44 LEU C C 44 174.187 174.187 178.612 -4.425 18905 2710 1 5 . 1 1 44 44 LEU CA C 44 52.247 52.247 53.607 -1.360 18905 2711 1 5 . 1 1 44 44 LEU CB C 44 40.210 40.210 40.276 -0.066 18905 2712 1 5 . 1 1 44 44 LEU H H 44 7.533 7.533 7.902 -0.369 18905 2713 1 5 . 1 1 45 45 ALA N N 45 123.574 123.574 125.054 -1.480 18905 2714 1 5 . 1 1 45 45 ALA HA H 45 4.313 4.313 3.998 0.315 18905 2715 1 5 . 1 1 45 45 ALA CA C 45 53.187 53.187 56.252 -3.065 18905 2716 1 5 . 1 1 45 45 ALA CB C 45 14.134 14.134 16.157 -2.023 18905 2717 1 5 . 1 1 45 45 ALA H H 45 7.398 7.398 7.823 -0.425 18905 2718 1 5 . 1 1 46 46 PRO HA H 46 4.043 4.043 4.201 -0.158 18905 2719 1 5 . 1 1 46 46 PRO CA C 46 61.784 61.784 64.867 -3.083 18905 2720 1 5 . 1 1 46 46 PRO CB C 46 27.999 27.999 31.262 -3.263 18905 2721 1 5 . 1 1 47 47 TYR N N 47 114.404 114.404 116.961 -2.557 18905 2722 1 5 . 1 1 47 47 TYR HA H 47 4.527 4.527 4.587 -0.060 18905 2723 1 5 . 1 1 47 47 TYR CA C 47 54.406 54.406 56.403 -1.997 18905 2724 1 5 . 1 1 47 47 TYR CB C 47 37.537 37.537 38.530 -0.993 18905 2725 1 5 . 1 1 47 47 TYR H H 47 7.897 7.897 7.311 0.586 18905 2726 1 5 . 1 1 48 48 ALA N N 48 119.845 119.845 122.917 -3.072 18905 2727 1 5 . 1 1 48 48 ALA HA H 48 4.360 4.360 4.517 -0.157 18905 2728 1 5 . 1 1 48 48 ALA C C 48 171.938 171.938 176.058 -4.120 18905 2729 1 5 . 1 1 48 48 ALA CA C 48 49.129 49.129 52.278 -3.149 18905 2730 1 5 . 1 1 48 48 ALA CB C 48 19.614 19.614 20.508 -0.894 18905 2731 1 5 . 1 1 48 48 ALA H H 48 8.083 8.083 7.237 0.846 18905 2732 1 5 . 1 1 49 49 VAL N N 49 122.528 122.528 125.232 -2.704 18905 2733 1 5 . 1 1 49 49 VAL HA H 49 3.904 3.904 4.007 -0.103 18905 2734 1 5 . 1 1 49 49 VAL C C 49 172.490 172.490 175.700 -3.210 18905 2735 1 5 . 1 1 49 49 VAL CA C 49 60.373 60.373 63.758 -3.385 18905 2736 1 5 . 1 1 49 49 VAL CB C 49 28.257 28.257 30.426 -2.169 18905 2737 1 5 . 1 1 49 49 VAL H H 49 8.414 8.414 8.483 -0.069 18905 2738 1 5 . 1 1 50 50 LEU N N 50 127.924 127.924 124.888 3.036 18905 2739 1 5 . 1 1 50 50 LEU HA H 50 4.650 4.650 4.802 -0.152 18905 2740 1 5 . 1 1 50 50 LEU C C 50 172.488 172.488 175.379 -2.891 18905 2741 1 5 . 1 1 50 50 LEU CA C 50 50.523 50.523 53.450 -2.927 18905 2742 1 5 . 1 1 50 50 LEU CB C 50 42.647 42.647 44.043 -1.396 18905 2743 1 5 . 1 1 50 50 LEU H H 50 7.904 7.904 7.955 -0.051 18905 2744 1 5 . 1 1 51 51 SER N N 51 114.999 114.999 112.830 2.169 18905 2745 1 5 . 1 1 51 51 SER HA H 51 4.783 4.783 4.713 0.070 18905 2746 1 5 . 1 1 51 51 SER C C 51 172.827 172.827 174.956 -2.129 18905 2747 1 5 . 1 1 51 51 SER CA C 51 53.708 53.708 57.188 -3.480 18905 2748 1 5 . 1 1 51 51 SER CB C 51 63.424 63.424 63.988 -0.564 18905 2749 1 5 . 1 1 51 51 SER H H 51 8.623 8.623 8.379 0.244 18905 2750 1 5 . 1 1 52 52 SER N N 52 118.355 118.355 116.497 1.858 18905 2751 1 5 . 1 1 52 52 SER HA H 52 4.301 4.301 4.267 0.034 18905 2752 1 5 . 1 1 52 52 SER C C 52 173.242 173.242 175.924 -2.682 18905 2753 1 5 . 1 1 52 52 SER CA C 52 58.709 58.709 60.382 -1.673 18905 2754 1 5 . 1 1 52 52 SER CB C 52 59.826 59.826 63.026 -3.200 18905 2755 1 5 . 1 1 52 52 SER H H 52 9.117 9.117 8.600 0.517 18905 2756 1 5 . 1 1 53 53 SER N N 53 114.926 114.926 117.692 -2.766 18905 2757 1 5 . 1 1 53 53 SER HA H 53 4.292 4.292 4.305 -0.013 18905 2758 1 5 . 1 1 53 53 SER CA C 53 57.882 57.882 60.693 -2.811 18905 2759 1 5 . 1 1 53 53 SER CB C 53 60.220 60.220 63.292 -3.072 18905 2760 1 5 . 1 1 53 53 SER H H 53 8.014 8.014 8.211 -0.197 18905 2761 1 5 . 1 1 54 54 ASN N N 54 116.432 116.432 119.241 -2.809 18905 2762 1 5 . 1 1 54 54 ASN HA H 54 4.914 4.914 4.656 0.258 18905 2763 1 5 . 1 1 54 54 ASN C C 54 170.744 170.744 174.857 -4.113 18905 2764 1 5 . 1 1 54 54 ASN CA C 54 52.054 52.054 55.547 -3.493 18905 2765 1 5 . 1 1 54 54 ASN CB C 54 38.952 38.952 39.183 -0.231 18905 2766 1 5 . 1 1 54 54 ASN H H 54 7.996 7.996 7.889 0.107 18905 2767 1 5 . 1 1 55 55 VAL N N 55 118.877 118.877 119.373 -0.496 18905 2768 1 5 . 1 1 55 55 VAL HA H 55 4.891 4.891 4.206 0.685 18905 2769 1 5 . 1 1 55 55 VAL C C 55 171.238 171.238 175.405 -4.167 18905 2770 1 5 . 1 1 55 55 VAL CA C 55 58.709 58.709 62.617 -3.908 18905 2771 1 5 . 1 1 55 55 VAL CB C 55 31.652 31.652 31.601 0.051 18905 2772 1 5 . 1 1 55 55 VAL H H 55 7.421 7.421 7.251 0.170 18905 2773 1 5 . 1 1 56 56 ARG N N 56 125.757 125.757 125.978 -0.221 18905 2774 1 5 . 1 1 56 56 ARG HA H 56 4.708 4.708 4.707 0.001 18905 2775 1 5 . 1 1 56 56 ARG C C 56 172.321 172.321 174.118 -1.797 18905 2776 1 5 . 1 1 56 56 ARG CA C 56 51.878 51.878 53.734 -1.856 18905 2777 1 5 . 1 1 56 56 ARG CB C 56 30.211 30.211 34.224 -4.013 18905 2778 1 5 . 1 1 56 56 ARG H H 56 9.011 9.011 9.027 -0.016 18905 2779 1 5 . 1 1 57 57 VAL N N 57 125.646 125.646 123.166 2.480 18905 2780 1 5 . 1 1 57 57 VAL HA H 57 3.878 3.878 4.218 -0.340 18905 2781 1 5 . 1 1 57 57 VAL C C 57 172.129 172.129 174.357 -2.228 18905 2782 1 5 . 1 1 57 57 VAL CA C 57 59.043 59.043 60.876 -1.833 18905 2783 1 5 . 1 1 57 57 VAL CB C 57 30.019 30.019 34.045 -4.026 18905 2784 1 5 . 1 1 57 57 VAL H H 57 8.794 8.794 8.441 0.353 18905 2785 1 5 . 1 1 58 58 ILE N N 58 127.547 127.547 129.190 -1.643 18905 2786 1 5 . 1 1 58 58 ILE HA H 58 4.049 4.049 4.231 -0.182 18905 2787 1 5 . 1 1 58 58 ILE C C 58 172.672 172.672 175.685 -3.013 18905 2788 1 5 . 1 1 58 58 ILE CA C 58 57.246 57.246 60.695 -3.449 18905 2789 1 5 . 1 1 58 58 ILE CB C 58 32.839 32.839 37.650 -4.811 18905 2790 1 5 . 1 1 58 58 ILE H H 58 7.259 7.259 8.334 -1.075 18905 2791 1 5 . 1 1 59 59 LYS N N 59 127.231 127.231 122.775 4.456 18905 2792 1 5 . 1 1 59 59 LYS HA H 59 4.532 4.532 4.786 -0.254 18905 2793 1 5 . 1 1 59 59 LYS C C 59 173.119 173.119 175.442 -2.323 18905 2794 1 5 . 1 1 59 59 LYS CA C 59 52.444 52.444 54.701 -2.257 18905 2795 1 5 . 1 1 59 59 LYS CB C 59 32.374 32.374 35.527 -3.153 18905 2796 1 5 . 1 1 59 59 LYS H H 59 8.571 8.571 8.102 0.469 18905 2797 1 5 . 1 1 60 60 ASP N N 60 123.232 123.232 120.493 2.739 18905 2798 1 5 . 1 1 60 60 ASP HA H 60 4.496 4.496 4.652 -0.156 18905 2799 1 5 . 1 1 60 60 ASP C C 60 174.118 174.118 176.410 -2.292 18905 2800 1 5 . 1 1 60 60 ASP CA C 60 50.786 50.786 54.348 -3.562 18905 2801 1 5 . 1 1 60 60 ASP CB C 60 40.058 40.058 42.074 -2.016 18905 2802 1 5 . 1 1 60 60 ASP H H 60 8.527 8.527 8.767 -0.240 18905 2803 1 5 . 1 1 61 61 LYS N N 61 125.977 125.977 120.709 5.268 18905 2804 1 5 . 1 1 61 61 LYS HA H 61 3.918 3.918 4.341 -0.423 18905 2805 1 5 . 1 1 61 61 LYS C C 61 174.696 174.696 177.335 -2.639 18905 2806 1 5 . 1 1 61 61 LYS CA C 61 56.017 56.017 57.431 -1.414 18905 2807 1 5 . 1 1 61 61 LYS CB C 61 29.813 29.813 33.127 -3.314 18905 2808 1 5 . 1 1 61 61 LYS H H 61 8.770 8.770 8.530 0.240 18905 2809 1 5 . 1 1 62 62 GLN N N 62 116.732 116.732 118.510 -1.778 18905 2810 1 5 . 1 1 62 62 GLN HA H 62 4.252 4.252 4.188 0.064 18905 2811 1 5 . 1 1 62 62 GLN C C 62 174.793 174.793 176.793 -2.000 18905 2812 1 5 . 1 1 62 62 GLN CA C 62 55.001 55.001 57.602 -2.601 18905 2813 1 5 . 1 1 62 62 GLN CB C 62 26.516 26.516 29.410 -2.894 18905 2814 1 5 . 1 1 62 62 GLN H H 62 8.538 8.538 8.448 0.090 18905 2815 1 5 . 1 1 63 63 THR N N 63 108.519 108.519 109.956 -1.437 18905 2816 1 5 . 1 1 63 63 THR HA H 63 4.265 4.265 4.549 -0.284 18905 2817 1 5 . 1 1 63 63 THR CA C 63 59.302 59.302 60.292 -0.990 18905 2818 1 5 . 1 1 63 63 THR CB C 63 67.891 67.891 70.774 -2.883 18905 2819 1 5 . 1 1 63 63 THR H H 63 7.882 7.882 8.215 -0.333 18905 2820 1 5 . 1 1 64 64 GLN N N 64 113.890 113.890 118.159 -4.269 18905 2821 1 5 . 1 1 64 64 GLN HA H 64 3.829 3.829 4.601 -0.772 18905 2822 1 5 . 1 1 64 64 GLN C C 64 172.129 172.129 174.980 -2.851 18905 2823 1 5 . 1 1 64 64 GLN CA C 64 54.560 54.560 54.606 -0.046 18905 2824 1 5 . 1 1 64 64 GLN CB C 64 23.812 23.812 28.004 -4.192 18905 2825 1 5 . 1 1 64 64 GLN H H 64 8.188 8.188 8.480 -0.292 18905 2826 1 5 . 1 1 65 65 LEU N N 65 119.516 119.516 119.627 -0.111 18905 2827 1 5 . 1 1 65 65 LEU HA H 65 4.463 4.463 4.626 -0.163 18905 2828 1 5 . 1 1 65 65 LEU C C 65 174.174 174.174 175.992 -1.818 18905 2829 1 5 . 1 1 65 65 LEU CA C 65 51.024 51.024 53.118 -2.094 18905 2830 1 5 . 1 1 65 65 LEU CB C 65 39.608 39.608 45.195 -5.587 18905 2831 1 5 . 1 1 65 65 LEU H H 65 7.682 7.682 7.430 0.252 18905 2832 1 5 . 1 1 66 66 ASN N N 66 117.776 117.776 118.161 -0.385 18905 2833 1 5 . 1 1 66 66 ASN HA H 66 4.958 4.958 4.909 0.049 18905 2834 1 5 . 1 1 66 66 ASN C C 66 171.913 171.913 175.884 -3.971 18905 2835 1 5 . 1 1 66 66 ASN CA C 66 50.440 50.440 53.337 -2.897 18905 2836 1 5 . 1 1 66 66 ASN CB C 66 36.771 36.771 39.032 -2.261 18905 2837 1 5 . 1 1 66 66 ASN H H 66 8.771 8.771 8.267 0.504 18905 2838 1 5 . 1 1 67 67 ARG N N 67 117.508 117.508 119.772 -2.264 18905 2839 1 5 . 1 1 67 67 ARG HA H 67 4.193 4.193 4.521 -0.328 18905 2840 1 5 . 1 1 67 67 ARG CA C 67 53.615 53.615 55.376 -1.761 18905 2841 1 5 . 1 1 67 67 ARG CB C 67 28.137 28.137 30.532 -2.395 18905 2842 1 5 . 1 1 67 67 ARG H H 67 8.313 8.313 8.718 -0.405 18905 2843 1 5 . 1 1 68 68 GLY N N 68 107.904 107.904 107.354 0.550 18905 2844 1 5 . 1 1 68 68 GLY CA C 68 42.842 42.842 45.949 -3.107 18905 2845 1 5 . 1 1 68 68 GLY H H 68 9.437 9.437 8.355 1.082 18905 2846 1 5 . 1 1 69 69 PHE N N 69 113.804 113.804 115.993 -2.189 18905 2847 1 5 . 1 1 69 69 PHE HA H 69 5.754 5.754 5.458 0.296 18905 2848 1 5 . 1 1 69 69 PHE C C 69 170.151 170.151 172.703 -2.552 18905 2849 1 5 . 1 1 69 69 PHE CA C 69 51.625 51.625 54.182 -2.558 18905 2850 1 5 . 1 1 69 69 PHE CB C 69 39.587 39.587 41.241 -1.654 18905 2851 1 5 . 1 1 69 69 PHE H H 69 6.750 6.750 7.632 -0.882 18905 2852 1 5 . 1 1 70 70 ALA N N 70 118.965 118.965 120.095 -1.130 18905 2853 1 5 . 1 1 70 70 ALA HA H 70 4.807 4.807 4.417 0.390 18905 2854 1 5 . 1 1 70 70 ALA C C 70 171.693 171.693 174.332 -2.639 18905 2855 1 5 . 1 1 70 70 ALA CA C 70 47.155 47.155 51.438 -4.283 18905 2856 1 5 . 1 1 70 70 ALA CB C 70 21.153 21.153 21.871 -0.718 18905 2857 1 5 . 1 1 70 70 ALA H H 70 8.526 8.526 7.553 0.973 18905 2858 1 5 . 1 1 71 71 PHE N N 71 117.469 117.469 117.355 0.114 18905 2859 1 5 . 1 1 71 71 PHE HA H 71 5.537 5.537 5.408 0.129 18905 2860 1 5 . 1 1 71 71 PHE C C 71 172.630 172.630 174.446 -1.816 18905 2861 1 5 . 1 1 71 71 PHE CA C 71 52.609 52.609 56.284 -3.675 18905 2862 1 5 . 1 1 71 71 PHE CB C 71 39.675 39.675 43.946 -4.271 18905 2863 1 5 . 1 1 71 71 PHE H H 71 8.824 8.824 8.714 0.110 18905 2864 1 5 . 1 1 72 72 ILE N N 72 122.867 122.867 119.399 3.468 18905 2865 1 5 . 1 1 72 72 ILE HA H 72 5.022 5.022 4.871 0.151 18905 2866 1 5 . 1 1 72 72 ILE CA C 72 56.881 56.881 60.386 -3.505 18905 2867 1 5 . 1 1 72 72 ILE CB C 72 37.031 37.031 42.803 -5.772 18905 2868 1 5 . 1 1 72 72 ILE H H 72 9.555 9.555 9.051 0.504 18905 2869 1 5 . 1 1 73 73 GLN N N 73 128.422 128.422 125.268 3.154 18905 2870 1 5 . 1 1 73 73 GLN HA H 73 5.170 5.170 4.651 0.519 18905 2871 1 5 . 1 1 73 73 GLN CA C 73 52.252 52.252 54.922 -2.670 18905 2872 1 5 . 1 1 73 73 GLN CB C 73 28.291 28.291 29.952 -1.661 18905 2873 1 5 . 1 1 73 73 GLN H H 73 8.964 8.964 8.351 0.613 18905 2874 1 5 . 1 1 74 74 LEU N N 74 126.707 126.707 122.995 3.712 18905 2875 1 5 . 1 1 74 74 LEU HA H 74 4.789 4.789 4.662 0.127 18905 2876 1 5 . 1 1 74 74 LEU CA C 74 50.617 50.617 53.413 -2.796 18905 2877 1 5 . 1 1 74 74 LEU CB C 74 44.885 44.885 44.924 -0.039 18905 2878 1 5 . 1 1 74 74 LEU H H 74 8.420 8.420 8.372 0.048 18905 2879 1 5 . 1 1 75 75 SER HA H 75 4.284 4.284 4.567 -0.283 18905 2880 1 5 . 1 1 75 75 SER CA C 75 55.390 55.390 57.828 -2.438 18905 2881 1 5 . 1 1 75 75 SER CB C 75 61.275 61.275 64.394 -3.119 18905 2882 1 5 . 1 1 76 76 THR N N 76 116.193 116.193 114.363 1.830 18905 2883 1 5 . 1 1 76 76 THR HA H 76 3.994 3.994 4.227 -0.233 18905 2884 1 5 . 1 1 76 76 THR C C 76 174.630 174.630 176.535 -1.905 18905 2885 1 5 . 1 1 76 76 THR CA C 76 64.225 64.225 65.889 -1.664 18905 2886 1 5 . 1 1 76 76 THR CB C 76 66.003 66.003 68.525 -2.522 18905 2887 1 5 . 1 1 76 76 THR H H 76 8.614 8.614 8.517 0.097 18905 2888 1 5 . 1 1 77 77 ILE N N 77 120.400 120.400 120.927 -0.527 18905 2889 1 5 . 1 1 77 77 ILE HA H 77 3.911 3.911 3.701 0.210 18905 2890 1 5 . 1 1 77 77 ILE C C 77 175.577 175.577 177.684 -2.107 18905 2891 1 5 . 1 1 77 77 ILE CA C 77 61.264 61.264 64.883 -3.619 18905 2892 1 5 . 1 1 77 77 ILE CB C 77 35.379 35.379 37.704 -2.325 18905 2893 1 5 . 1 1 77 77 ILE H H 77 8.044 8.044 8.420 -0.376 18905 2894 1 5 . 1 1 78 78 GLU N N 78 120.562 120.562 118.074 2.488 18905 2895 1 5 . 1 1 78 78 GLU HA H 78 4.062 4.062 4.039 0.023 18905 2896 1 5 . 1 1 78 78 GLU C C 78 176.596 176.596 178.029 -1.433 18905 2897 1 5 . 1 1 78 78 GLU CA C 78 56.355 56.355 59.047 -2.692 18905 2898 1 5 . 1 1 78 78 GLU CB C 78 27.668 27.668 29.048 -1.380 18905 2899 1 5 . 1 1 78 78 GLU H H 78 7.548 7.548 8.746 -1.198 18905 2900 1 5 . 1 1 79 79 ALA N N 79 122.789 122.789 122.032 0.757 18905 2901 1 5 . 1 1 79 79 ALA HA H 79 3.923 3.923 4.157 -0.234 18905 2902 1 5 . 1 1 79 79 ALA C C 79 175.736 175.736 178.406 -2.670 18905 2903 1 5 . 1 1 79 79 ALA CA C 79 52.649 52.649 54.331 -1.682 18905 2904 1 5 . 1 1 79 79 ALA CB C 79 15.305 15.305 18.636 -3.331 18905 2905 1 5 . 1 1 79 79 ALA H H 79 9.279 9.279 7.433 1.846 18905 2906 1 5 . 1 1 80 80 ALA N N 80 118.643 118.643 119.770 -1.127 18905 2907 1 5 . 1 1 80 80 ALA HA H 80 4.001 4.001 4.328 -0.327 18905 2908 1 5 . 1 1 80 80 ALA C C 80 177.943 177.943 178.064 -0.121 18905 2909 1 5 . 1 1 80 80 ALA CA C 80 52.521 52.521 54.088 -1.567 18905 2910 1 5 . 1 1 80 80 ALA CB C 80 15.281 15.281 18.122 -2.841 18905 2911 1 5 . 1 1 80 80 ALA H H 80 7.688 7.688 8.201 -0.513 18905 2912 1 5 . 1 1 81 81 GLN N N 81 116.877 116.877 115.130 1.747 18905 2913 1 5 . 1 1 81 81 GLN HA H 81 4.015 4.015 4.381 -0.366 18905 2914 1 5 . 1 1 81 81 GLN CA C 81 55.760 55.760 56.208 -0.448 18905 2915 1 5 . 1 1 81 81 GLN CB C 81 25.786 25.786 29.151 -3.365 18905 2916 1 5 . 1 1 81 81 GLN H H 81 7.593 7.593 7.798 -0.205 18905 2917 1 5 . 1 1 82 82 LEU N N 82 119.946 119.946 122.755 -2.809 18905 2918 1 5 . 1 1 82 82 LEU HA H 82 4.121 4.121 4.045 0.076 18905 2919 1 5 . 1 1 82 82 LEU C C 82 175.358 175.358 178.371 -3.013 18905 2920 1 5 . 1 1 82 82 LEU CA C 82 54.781 54.781 57.576 -2.795 18905 2921 1 5 . 1 1 82 82 LEU CB C 82 38.240 38.240 41.207 -2.967 18905 2922 1 5 . 1 1 82 82 LEU H H 82 8.258 8.258 7.508 0.750 18905 2923 1 5 . 1 1 83 83 LEU N N 83 119.288 119.288 120.063 -0.775 18905 2924 1 5 . 1 1 83 83 LEU HA H 83 3.585 3.585 3.785 -0.200 18905 2925 1 5 . 1 1 83 83 LEU C C 83 175.365 175.365 178.711 -3.346 18905 2926 1 5 . 1 1 83 83 LEU CA C 83 56.142 56.142 58.635 -2.493 18905 2927 1 5 . 1 1 83 83 LEU CB C 83 38.875 38.875 41.772 -2.897 18905 2928 1 5 . 1 1 83 83 LEU H H 83 8.407 8.407 7.622 0.785 18905 2929 1 5 . 1 1 84 84 GLN N N 84 115.391 115.391 117.171 -1.780 18905 2930 1 5 . 1 1 84 84 GLN HA H 84 3.878 3.878 4.118 -0.240 18905 2931 1 5 . 1 1 84 84 GLN C C 84 176.472 176.472 177.966 -1.494 18905 2932 1 5 . 1 1 84 84 GLN CA C 84 56.142 56.142 57.913 -1.771 18905 2933 1 5 . 1 1 84 84 GLN CB C 84 25.733 25.733 28.468 -2.735 18905 2934 1 5 . 1 1 84 84 GLN H H 84 7.347 7.347 7.769 -0.422 18905 2935 1 5 . 1 1 85 85 ILE N N 85 119.593 119.593 119.998 -0.405 18905 2936 1 5 . 1 1 85 85 ILE HA H 85 3.607 3.607 3.759 -0.152 18905 2937 1 5 . 1 1 85 85 ILE CA C 85 61.779 61.779 64.003 -2.224 18905 2938 1 5 . 1 1 85 85 ILE CB C 85 35.948 35.948 38.171 -2.223 18905 2939 1 5 . 1 1 85 85 ILE H H 85 7.650 7.650 7.526 0.124 18905 2940 1 5 . 1 1 86 86 LEU N N 86 116.537 116.537 119.967 -3.430 18905 2941 1 5 . 1 1 86 86 LEU HA H 86 3.757 3.757 3.963 -0.206 18905 2942 1 5 . 1 1 86 86 LEU C C 86 177.610 177.610 179.478 -1.868 18905 2943 1 5 . 1 1 86 86 LEU CA C 86 54.521 54.521 57.969 -3.448 18905 2944 1 5 . 1 1 86 86 LEU CB C 86 39.226 39.226 41.065 -1.839 18905 2945 1 5 . 1 1 86 86 LEU H H 86 8.410 8.410 8.413 -0.003 18905 2946 1 5 . 1 1 87 87 GLN N N 87 115.959 115.959 116.447 -0.488 18905 2947 1 5 . 1 1 87 87 GLN HA H 87 4.009 4.009 4.142 -0.133 18905 2948 1 5 . 1 1 87 87 GLN C C 87 174.156 174.156 176.944 -2.788 18905 2949 1 5 . 1 1 87 87 GLN CA C 87 55.735 55.735 57.836 -2.101 18905 2950 1 5 . 1 1 87 87 GLN CB C 87 25.516 25.516 28.298 -2.782 18905 2951 1 5 . 1 1 87 87 GLN H H 87 8.406 8.406 7.919 0.487 18905 2952 1 5 . 1 1 88 88 ALA N N 88 120.044 120.044 121.393 -1.349 18905 2953 1 5 . 1 1 88 88 ALA HA H 88 4.338 4.338 4.431 -0.093 18905 2954 1 5 . 1 1 88 88 ALA C C 88 174.373 174.373 176.518 -2.145 18905 2955 1 5 . 1 1 88 88 ALA CA C 88 48.933 48.933 52.376 -3.443 18905 2956 1 5 . 1 1 88 88 ALA CB C 88 16.681 16.681 19.990 -3.309 18905 2957 1 5 . 1 1 88 88 ALA H H 88 7.110 7.110 7.785 -0.675 18905 2958 1 5 . 1 1 89 89 LEU N N 89 119.696 119.696 118.203 1.493 18905 2959 1 5 . 1 1 89 89 LEU HA H 89 3.929 3.929 4.709 -0.780 18905 2960 1 5 . 1 1 89 89 LEU C C 89 175.387 175.387 174.993 0.394 18905 2961 1 5 . 1 1 89 89 LEU CA C 89 53.364 53.364 53.383 -0.019 18905 2962 1 5 . 1 1 89 89 LEU CB C 89 39.775 39.775 44.185 -4.410 18905 2963 1 5 . 1 1 89 89 LEU H H 89 6.693 6.693 7.264 -0.571 18905 2964 1 5 . 1 1 90 90 HIS N N 90 120.136 120.136 114.707 5.429 18905 2965 1 5 . 1 1 90 90 HIS HA H 90 4.419 4.419 5.049 -0.630 18905 2966 1 5 . 1 1 90 90 HIS CA C 90 50.226 50.226 52.306 -2.079 18905 2967 1 5 . 1 1 90 90 HIS CB C 90 27.853 27.853 30.104 -2.251 18905 2968 1 5 . 1 1 90 90 HIS H H 90 8.299 8.299 7.743 0.556 18905 2969 1 5 . 1 1 91 91 PRO HA H 91 4.367 4.367 4.764 -0.397 18905 2970 1 5 . 1 1 91 91 PRO CA C 91 60.550 60.550 61.495 -0.945 18905 2971 1 5 . 1 1 91 91 PRO CB C 91 29.416 29.416 32.111 -2.695 18905 2972 1 5 . 1 1 92 92 PRO HA H 92 4.815 4.815 4.372 0.443 18905 2973 1 5 . 1 1 92 92 PRO CA C 92 59.812 59.812 64.593 -4.781 18905 2974 1 5 . 1 1 92 92 PRO CB C 92 30.119 30.119 32.106 -1.987 18905 2975 1 5 . 1 1 93 93 LEU N N 93 121.469 121.469 115.684 5.785 18905 2976 1 5 . 1 1 93 93 LEU HA H 93 3.954 3.954 4.738 -0.784 18905 2977 1 5 . 1 1 93 93 LEU CA C 93 53.500 53.500 54.188 -0.688 18905 2978 1 5 . 1 1 93 93 LEU CB C 93 39.889 39.889 44.385 -4.495 18905 2979 1 5 . 1 1 93 93 LEU H H 93 8.404 8.404 7.590 0.814 18905 2980 1 5 . 1 1 94 94 THR HA H 94 5.276 5.276 4.497 0.779 18905 2981 1 5 . 1 1 94 94 THR CA C 94 57.077 57.077 61.511 -4.434 18905 2982 1 5 . 1 1 94 94 THR CB C 94 69.076 69.076 69.443 -0.367 18905 2983 1 5 . 1 1 95 95 ILE N N 95 121.239 121.239 125.691 -4.452 18905 2984 1 5 . 1 1 95 95 ILE HA H 95 4.184 4.184 4.061 0.123 18905 2985 1 5 . 1 1 95 95 ILE CA C 95 58.054 58.054 61.836 -3.782 18905 2986 1 5 . 1 1 95 95 ILE CB C 95 37.534 37.534 39.095 -1.561 18905 2987 1 5 . 1 1 95 95 ILE H H 95 8.317 8.317 8.575 -0.258 18905 2988 1 5 . 1 1 96 96 ASP N N 96 130.909 130.909 127.199 3.710 18905 2989 1 5 . 1 1 96 96 ASP HA H 96 4.292 4.292 4.275 0.017 18905 2990 1 5 . 1 1 96 96 ASP CA C 96 53.001 53.001 54.871 -1.870 18905 2991 1 5 . 1 1 96 96 ASP CB C 96 37.114 37.114 40.258 -3.144 18905 2992 1 5 . 1 1 96 96 ASP H H 96 9.837 9.837 9.014 0.823 18905 2993 1 5 . 1 1 97 97 GLY N N 97 102.578 102.578 103.788 -1.210 18905 2994 1 5 . 1 1 97 97 GLY C C 97 170.992 170.992 175.120 -4.128 18905 2995 1 5 . 1 1 97 97 GLY CA C 97 42.754 42.754 45.780 -3.026 18905 2996 1 5 . 1 1 97 97 GLY H H 97 8.638 8.638 7.843 0.795 18905 2997 1 5 . 1 1 98 98 LYS N N 98 120.330 120.330 122.828 -2.498 18905 2998 1 5 . 1 1 98 98 LYS HA H 98 4.629 4.629 4.421 0.208 18905 2999 1 5 . 1 1 98 98 LYS C C 98 172.675 172.675 176.347 -3.672 18905 3000 1 5 . 1 1 98 98 LYS CA C 98 50.304 50.304 54.865 -4.561 18905 3001 1 5 . 1 1 98 98 LYS CB C 98 31.136 31.136 30.404 0.732 18905 3002 1 5 . 1 1 98 98 LYS H H 98 7.440 7.440 8.176 -0.736 18905 3003 1 5 . 1 1 99 99 THR N N 99 119.612 119.612 115.572 4.040 18905 3004 1 5 . 1 1 99 99 THR HA H 99 4.356 4.356 4.220 0.136 18905 3005 1 5 . 1 1 99 99 THR C C 99 171.511 171.511 174.169 -2.658 18905 3006 1 5 . 1 1 99 99 THR CA C 99 60.382 60.382 61.690 -1.308 18905 3007 1 5 . 1 1 99 99 THR CB C 99 65.967 65.967 69.656 -3.689 18905 3008 1 5 . 1 1 99 99 THR H H 99 8.626 8.626 7.877 0.749 18905 3009 1 5 . 1 1 100 100 ILE N N 100 129.389 129.389 122.847 6.542 18905 3010 1 5 . 1 1 100 100 ILE HA H 100 4.358 4.358 3.982 0.376 18905 3011 1 5 . 1 1 100 100 ILE C C 100 172.710 172.710 175.824 -3.114 18905 3012 1 5 . 1 1 100 100 ILE CA C 100 55.202 55.202 60.176 -4.974 18905 3013 1 5 . 1 1 100 100 ILE CB C 100 34.925 34.925 36.706 -1.781 18905 3014 1 5 . 1 1 100 100 ILE H H 100 8.463 8.463 8.242 0.221 18905 3015 1 5 . 1 1 101 101 ASN N N 101 123.767 123.767 127.037 -3.270 18905 3016 1 5 . 1 1 101 101 ASN HA H 101 4.904 4.904 4.767 0.137 18905 3017 1 5 . 1 1 101 101 ASN C C 101 170.860 170.860 174.654 -3.794 18905 3018 1 5 . 1 1 101 101 ASN CA C 101 49.884 49.884 52.793 -2.909 18905 3019 1 5 . 1 1 101 101 ASN CB C 101 38.364 38.364 40.189 -1.825 18905 3020 1 5 . 1 1 101 101 ASN H H 101 7.878 7.878 8.298 -0.420 18905 3021 1 5 . 1 1 102 102 VAL N N 102 122.207 122.207 120.397 1.810 18905 3022 1 5 . 1 1 102 102 VAL HA H 102 4.933 4.933 4.597 0.336 18905 3023 1 5 . 1 1 102 102 VAL C C 102 175.222 175.222 174.598 0.624 18905 3024 1 5 . 1 1 102 102 VAL CA C 102 57.981 57.981 60.428 -2.447 18905 3025 1 5 . 1 1 102 102 VAL CB C 102 31.183 31.183 34.253 -3.070 18905 3026 1 5 . 1 1 102 102 VAL H H 102 8.503 8.503 8.419 0.084 18905 3027 1 5 . 1 1 103 103 GLU N N 103 124.079 124.079 126.144 -2.065 18905 3028 1 5 . 1 1 103 103 GLU HA H 103 4.557 4.557 4.671 -0.114 18905 3029 1 5 . 1 1 103 103 GLU CA C 103 51.772 51.772 54.437 -2.665 18905 3030 1 5 . 1 1 103 103 GLU CB C 103 31.226 31.226 34.445 -3.219 18905 3031 1 5 . 1 1 103 103 GLU H H 103 8.627 8.627 8.769 -0.142 18905 3032 1 5 . 1 1 104 104 PHE N N 104 121.287 121.287 121.839 -0.552 18905 3033 1 5 . 1 1 104 104 PHE HA H 104 5.047 5.047 4.889 0.158 18905 3034 1 5 . 1 1 104 104 PHE C C 104 173.023 173.023 175.174 -2.151 18905 3035 1 5 . 1 1 104 104 PHE CA C 104 55.305 55.305 55.591 -0.286 18905 3036 1 5 . 1 1 104 104 PHE CB C 104 38.342 38.342 40.661 -2.319 18905 3037 1 5 . 1 1 104 104 PHE H H 104 8.778 8.778 8.674 0.104 18905 3038 1 5 . 1 1 105 105 ALA N N 105 127.703 127.703 132.110 -4.407 18905 3039 1 5 . 1 1 105 105 ALA HA H 105 4.278 4.278 4.790 -0.512 18905 3040 1 5 . 1 1 105 105 ALA C C 105 172.939 172.939 175.684 -2.745 18905 3041 1 5 . 1 1 105 105 ALA CA C 105 48.936 48.936 51.041 -2.105 18905 3042 1 5 . 1 1 105 105 ALA CB C 105 17.822 17.822 19.235 -1.413 18905 3043 1 5 . 1 1 105 105 ALA H H 105 8.630 8.630 8.964 -0.334 18905 3044 1 5 . 1 1 106 106 LYS N N 106 121.259 121.259 121.526 -0.267 18905 3045 1 5 . 1 1 106 106 LYS HA H 106 4.211 4.211 4.329 -0.118 18905 3046 1 5 . 1 1 106 106 LYS C C 106 174.939 174.939 177.175 -2.236 18905 3047 1 5 . 1 1 106 106 LYS CA C 106 52.995 52.995 56.964 -3.969 18905 3048 1 5 . 1 1 106 106 LYS CB C 106 30.290 30.290 32.843 -2.553 18905 3049 1 5 . 1 1 106 106 LYS H H 106 8.289 8.289 7.787 0.502 18905 3050 1 5 . 1 1 107 107 GLY N N 107 111.965 111.965 110.512 1.453 18905 3051 1 5 . 1 1 107 107 GLY C C 107 171.215 171.215 172.538 -1.323 18905 3052 1 5 . 1 1 107 107 GLY CA C 107 42.651 42.651 45.473 -2.822 18905 3053 1 5 . 1 1 107 107 GLY H H 107 8.921 8.921 8.503 0.418 18905 3054 1 5 . 1 1 108 108 SER N N 108 114.479 114.479 115.348 -0.869 18905 3055 1 5 . 1 1 108 108 SER HA H 108 4.294 4.294 4.494 -0.200 18905 3056 1 5 . 1 1 108 108 SER C C 108 172.040 172.040 173.806 -1.766 18905 3057 1 5 . 1 1 108 108 SER CA C 108 55.336 55.336 58.163 -2.827 18905 3058 1 5 . 1 1 108 108 SER H H 108 8.197 8.197 8.320 -0.123 18905 3059 1 5 . 1 1 109 109 LYS N N 109 123.374 123.374 121.399 1.975 18905 3060 1 5 . 1 1 109 109 LYS HA H 109 4.198 4.198 4.490 -0.292 18905 3061 1 5 . 1 1 109 109 LYS C C 109 173.967 173.967 176.126 -2.159 18905 3062 1 5 . 1 1 109 109 LYS CA C 109 53.730 53.730 56.873 -3.143 18905 3063 1 5 . 1 1 109 109 LYS CB C 109 30.137 30.137 33.437 -3.300 18905 3064 1 5 . 1 1 109 109 LYS H H 109 8.306 8.306 7.725 0.581 18905 3065 1 5 . 1 1 110 110 ARG N N 110 134.189 134.189 121.846 12.343 18905 3066 1 5 . 1 1 110 110 ARG HA H 110 4.542 4.542 4.540 0.002 18905 3067 1 5 . 1 1 110 110 ARG C C 110 173.119 173.119 174.838 -1.719 18905 3068 1 5 . 1 1 110 110 ARG CA C 110 52.474 52.474 55.000 -2.526 18905 3069 1 5 . 1 1 110 110 ARG CB C 110 32.296 32.296 32.023 0.273 18905 3070 1 5 . 1 1 111 111 ASP N N 111 123.210 123.210 121.580 1.630 18905 3071 1 5 . 1 1 111 111 ASP HA H 111 4.519 4.519 4.764 -0.245 18905 3072 1 5 . 1 1 111 111 ASP C C 111 174.187 174.187 175.390 -1.203 18905 3073 1 5 . 1 1 111 111 ASP CA C 111 52.307 52.307 54.722 -2.415 18905 3074 1 5 . 1 1 111 111 ASP CB C 111 40.206 40.206 41.310 -1.105 18905 3075 1 5 . 1 1 111 111 ASP H H 111 8.523 8.523 8.333 0.190 18905 3076 1 5 . 1 1 112 112 MET HA H 112 4.330 4.330 4.546 -0.216 18905 3077 1 5 . 1 1 112 112 MET CA C 112 53.074 53.074 55.621 -2.547 18905 3078 1 5 . 1 1 112 112 MET CB C 112 30.057 30.057 34.227 -4.170 18905 3079 1 5 . 1 1 113 113 ALA N N 113 124.061 124.061 128.331 -4.270 18905 3080 1 5 . 1 1 113 113 ALA HA H 113 4.229 4.229 4.719 -0.490 18905 3081 1 5 . 1 1 113 113 ALA C C 113 175.243 175.243 175.462 -0.219 18905 3082 1 5 . 1 1 113 113 ALA CA C 113 49.967 49.967 51.924 -1.957 18905 3083 1 5 . 1 1 113 113 ALA CB C 113 16.436 16.436 21.475 -5.039 18905 3084 1 5 . 1 1 113 113 ALA H H 113 8.214 8.214 8.613 -0.399 18905 3085 1 5 . 1 1 114 114 SER N N 114 114.286 114.286 116.355 -2.069 18905 3086 1 5 . 1 1 114 114 SER HA H 114 4.376 4.376 4.596 -0.220 18905 3087 1 5 . 1 1 114 114 SER CA C 114 55.596 55.596 58.592 -2.996 18905 3088 1 5 . 1 1 114 114 SER CB C 114 61.009 61.009 65.362 -4.354 18905 3089 1 5 . 1 1 114 114 SER H H 114 8.124 8.124 8.828 -0.704 18905 3090 1 5 . 1 1 119 119 ARG N N 119 122.813 122.813 124.762 -1.949 18905 3091 1 5 . 1 1 119 119 ARG HA H 119 4.294 4.294 4.693 -0.399 18905 3092 1 5 . 1 1 119 119 ARG C C 119 173.654 173.654 174.478 -0.824 18905 3093 1 5 . 1 1 119 119 ARG CA C 119 53.701 53.701 56.592 -2.891 18905 3094 1 5 . 1 1 119 119 ARG CB C 119 28.140 28.140 30.273 -2.133 18905 3095 1 5 . 1 1 119 119 ARG H H 119 8.246 8.246 8.454 -0.208 18905 3096 1 5 . 1 1 120 120 ILE N N 120 121.624 121.624 118.958 2.666 18905 3097 1 5 . 1 1 120 120 ILE HA H 120 4.099 4.099 4.617 -0.518 18905 3098 1 5 . 1 1 120 120 ILE C C 120 173.651 173.651 175.482 -1.831 18905 3099 1 5 . 1 1 120 120 ILE CA C 120 58.593 58.593 59.807 -1.214 18905 3100 1 5 . 1 1 120 120 ILE CB C 120 36.091 36.091 39.129 -3.038 18905 3101 1 5 . 1 1 120 120 ILE H H 120 8.084 8.084 7.934 0.150 18905 3102 1 5 . 1 1 121 121 SER N N 121 119.953 119.953 114.664 5.289 18905 3103 1 5 . 1 1 121 121 SER HA H 121 4.378 4.378 5.120 -0.742 18905 3104 1 5 . 1 1 121 121 SER C C 121 170.780 170.780 172.635 -1.855 18905 3105 1 5 . 1 1 121 121 SER CA C 121 55.506 55.506 57.555 -2.049 18905 3106 1 5 . 1 1 121 121 SER CB C 121 61.571 61.571 65.417 -3.846 18905 3107 1 5 . 1 1 121 121 SER H H 121 8.300 8.300 8.874 -0.574 18905 3108 1 5 . 1 1 123 123 ALA N N 123 119.892 119.892 122.474 -2.582 18905 3109 1 5 . 1 1 123 123 ALA HA H 123 4.102 4.102 5.129 -1.027 18905 3110 1 5 . 1 1 123 123 ALA CA C 123 58.473 58.473 52.947 5.526 18905 3111 1 5 . 1 1 123 123 ALA H H 123 8.305 8.305 8.772 -0.467 18905 3112 1 5 . 1 1 124 124 SER N N 124 122.264 122.264 114.729 7.535 18905 3113 1 5 . 1 1 124 124 SER HA H 124 4.384 4.384 4.651 -0.267 18905 3114 1 5 . 1 1 124 124 SER CA C 124 55.632 55.632 58.261 -2.629 18905 3115 1 5 . 1 1 124 124 SER CB C 124 60.925 60.925 65.326 -4.401 18905 3116 1 5 . 1 1 124 124 SER H H 124 8.353 8.353 8.060 0.293 18905 3117 1 5 . 1 1 125 125 VAL N N 125 121.433 121.433 122.590 -1.157 18905 3118 1 5 . 1 1 125 125 VAL HA H 125 4.073 4.073 4.261 -0.188 18905 3119 1 5 . 1 1 125 125 VAL C C 125 173.240 173.240 173.860 -0.620 18905 3120 1 5 . 1 1 125 125 VAL CA C 125 59.588 59.588 62.670 -3.082 18905 3121 1 5 . 1 1 125 125 VAL CB C 125 30.198 30.198 33.322 -3.124 18905 3122 1 5 . 1 1 125 125 VAL H H 125 8.014 8.014 8.676 -0.662 18905 3123 1 5 . 1 1 126 126 ALA N N 126 127.185 127.185 128.077 -0.892 18905 3124 1 5 . 1 1 126 126 ALA HA H 126 4.278 4.278 4.663 -0.385 18905 3125 1 5 . 1 1 126 126 ALA C C 126 175.118 175.118 176.691 -1.573 18905 3126 1 5 . 1 1 126 126 ALA CA C 126 49.919 49.919 52.794 -2.875 18905 3127 1 5 . 1 1 126 126 ALA CB C 126 16.532 16.532 19.970 -3.438 18905 3128 1 5 . 1 1 126 126 ALA H H 126 8.277 8.277 8.340 -0.063 18905 3129 1 5 . 1 1 127 127 SER N N 127 115.148 115.148 117.125 -1.977 18905 3130 1 5 . 1 1 127 127 SER HA H 127 4.420 4.420 4.509 -0.089 18905 3131 1 5 . 1 1 127 127 SER C C 127 172.168 172.168 173.486 -1.318 18905 3132 1 5 . 1 1 127 127 SER CA C 127 55.770 55.770 58.874 -3.104 18905 3133 1 5 . 1 1 127 127 SER CB C 127 58.992 58.992 63.825 -4.833 18905 3134 1 5 . 1 1 127 127 SER H H 127 8.249 8.249 8.518 -0.269 18905 3135 1 5 . 1 1 128 128 THR N N 128 115.498 115.498 117.278 -1.780 18905 3136 1 5 . 1 1 128 128 THR C C 128 171.392 171.392 172.659 -1.267 18905 3137 1 5 . 1 1 128 128 THR CA C 128 59.083 59.083 62.368 -3.285 18905 3138 1 5 . 1 1 128 128 THR H H 128 8.050 8.050 7.739 0.311 18905 3139 1 5 . 1 1 129 129 ALA N N 129 126.543 126.543 129.177 -2.634 18905 3140 1 5 . 1 1 129 129 ALA HA H 129 4.236 4.236 4.647 -0.411 18905 3141 1 5 . 1 1 129 129 ALA C C 129 174.650 174.650 175.706 -1.056 18905 3142 1 5 . 1 1 129 129 ALA CA C 129 49.794 49.794 52.298 -2.504 18905 3143 1 5 . 1 1 129 129 ALA CB C 129 16.538 16.538 19.955 -3.417 18905 3144 1 5 . 1 1 129 129 ALA H H 129 8.160 8.160 8.291 -0.131 18905 3145 1 5 . 1 1 130 130 ILE N N 130 120.371 120.371 121.415 -1.044 18905 3146 1 5 . 1 1 130 130 ILE HA H 130 4.099 4.099 4.416 -0.317 18905 3147 1 5 . 1 1 130 130 ILE C C 130 173.651 173.651 174.591 -0.940 18905 3148 1 5 . 1 1 130 130 ILE CA C 130 58.513 58.513 61.148 -2.635 18905 3149 1 5 . 1 1 130 130 ILE CB C 130 36.091 36.091 40.159 -4.068 18905 3150 1 5 . 1 1 130 130 ILE H H 130 8.043 8.043 8.124 -0.081 18905 3151 1 6 . 1 1 4 4 GLY N N 4 110.117 110.117 110.178 -0.061 18905 3152 1 6 . 1 1 4 4 GLY C C 4 171.413 171.413 173.025 -1.612 18905 3153 1 6 . 1 1 4 4 GLY CA C 4 42.667 42.667 44.832 -2.165 18905 3154 1 6 . 1 1 4 4 GLY H H 4 8.391 8.391 8.234 0.157 18905 3155 1 6 . 1 1 5 5 VAL N N 5 119.501 119.501 119.703 -0.202 18905 3156 1 6 . 1 1 5 5 VAL HA H 5 4.018 4.018 4.236 -0.218 18905 3157 1 6 . 1 1 5 5 VAL C C 5 173.738 173.738 175.387 -1.649 18905 3158 1 6 . 1 1 5 5 VAL CA C 5 59.923 59.923 62.580 -2.656 18905 3159 1 6 . 1 1 5 5 VAL CB C 5 30.111 30.111 32.650 -2.539 18905 3160 1 6 . 1 1 5 5 VAL H H 5 7.951 7.951 8.245 -0.294 18905 3161 1 6 . 1 1 6 6 LEU N N 6 125.484 125.484 124.983 0.501 18905 3162 1 6 . 1 1 6 6 LEU HA H 6 4.280 4.280 4.726 -0.446 18905 3163 1 6 . 1 1 6 6 LEU C C 6 174.708 174.708 175.175 -0.467 18905 3164 1 6 . 1 1 6 6 LEU CA C 6 52.535 52.535 54.878 -2.343 18905 3165 1 6 . 1 1 6 6 LEU CB C 6 39.586 39.586 43.676 -4.090 18905 3166 1 6 . 1 1 6 6 LEU H H 6 8.248 8.248 8.396 -0.148 18905 3167 1 6 . 1 1 7 7 ALA N N 7 124.939 124.939 125.715 -0.776 18905 3168 1 6 . 1 1 7 7 ALA HA H 7 4.234 4.234 4.636 -0.402 18905 3169 1 6 . 1 1 7 7 ALA C C 7 174.865 174.865 176.296 -1.431 18905 3170 1 6 . 1 1 7 7 ALA CA C 7 50.136 50.136 52.326 -2.190 18905 3171 1 6 . 1 1 7 7 ALA CB C 7 16.500 16.500 20.385 -3.885 18905 3172 1 6 . 1 1 7 7 ALA H H 7 8.241 8.241 8.421 -0.180 18905 3173 1 6 . 1 1 8 8 SER N N 8 117.901 117.901 114.249 3.652 18905 3174 1 6 . 1 1 8 8 SER HA H 8 4.377 4.377 4.457 -0.080 18905 3175 1 6 . 1 1 8 8 SER C C 8 172.221 172.221 174.083 -1.862 18905 3176 1 6 . 1 1 8 8 SER CA C 8 56.008 56.008 57.757 -1.749 18905 3177 1 6 . 1 1 8 8 SER CB C 8 61.008 61.008 64.757 -3.749 18905 3178 1 6 . 1 1 8 8 SER H H 8 8.347 8.347 8.128 0.219 18905 3179 1 6 . 1 1 9 9 GLN N N 9 122.019 122.019 123.593 -1.574 18905 3180 1 6 . 1 1 9 9 GLN HA H 9 4.302 4.302 4.305 -0.003 18905 3181 1 6 . 1 1 9 9 GLN C C 9 173.160 173.160 175.307 -2.147 18905 3182 1 6 . 1 1 9 9 GLN CA C 9 53.470 53.470 56.046 -2.576 18905 3183 1 6 . 1 1 9 9 GLN CB C 9 26.663 26.663 29.584 -2.921 18905 3184 1 6 . 1 1 9 9 GLN H H 9 8.240 8.240 8.439 -0.199 18905 3185 1 6 . 1 1 10 10 ALA N N 10 124.490 124.490 123.589 0.901 18905 3186 1 6 . 1 1 10 10 ALA HA H 10 4.238 4.238 4.516 -0.278 18905 3187 1 6 . 1 1 10 10 ALA C C 10 175.142 175.142 176.196 -1.054 18905 3188 1 6 . 1 1 10 10 ALA CA C 10 50.121 50.121 51.071 -0.950 18905 3189 1 6 . 1 1 10 10 ALA CB C 10 16.322 16.322 20.644 -4.322 18905 3190 1 6 . 1 1 10 10 ALA H H 10 8.132 8.132 8.167 -0.035 18905 3191 1 6 . 1 1 11 11 LEU N N 11 120.785 120.785 117.470 3.315 18905 3192 1 6 . 1 1 11 11 LEU HA H 11 4.278 4.278 4.798 -0.520 18905 3193 1 6 . 1 1 11 11 LEU C C 11 174.929 174.929 175.811 -0.882 18905 3194 1 6 . 1 1 11 11 LEU CA C 11 52.612 52.612 54.384 -1.772 18905 3195 1 6 . 1 1 11 11 LEU CB C 11 39.647 39.647 44.538 -4.891 18905 3196 1 6 . 1 1 11 11 LEU H H 11 8.088 8.088 8.577 -0.489 18905 3197 1 6 . 1 1 12 12 SER N N 12 116.121 116.121 115.823 0.298 18905 3198 1 6 . 1 1 12 12 SER C C 12 171.977 171.977 173.601 -1.624 18905 3199 1 6 . 1 1 12 12 SER CA C 12 55.621 55.621 57.617 -1.996 18905 3200 1 6 . 1 1 12 12 SER CB C 12 56.041 56.041 64.080 -8.039 18905 3201 1 6 . 1 1 12 12 SER H H 12 8.170 8.170 8.254 -0.083 18905 3202 1 6 . 1 1 13 13 GLN N N 13 122.139 122.139 122.544 -0.405 18905 3203 1 6 . 1 1 13 13 GLN HA H 13 4.312 4.312 4.569 -0.257 18905 3204 1 6 . 1 1 13 13 GLN CA C 13 54.059 54.059 54.883 -0.824 18905 3205 1 6 . 1 1 13 13 GLN H H 13 8.368 8.368 8.011 0.357 18905 3206 1 6 . 1 1 14 14 GLY N N 14 109.259 109.259 109.631 -0.372 18905 3207 1 6 . 1 1 14 14 GLY CA C 14 42.970 42.970 45.809 -2.839 18905 3208 1 6 . 1 1 14 14 GLY H H 14 8.378 8.378 8.786 -0.408 18905 3209 1 6 . 1 1 15 15 SER N N 15 115.486 115.486 115.856 -0.370 18905 3210 1 6 . 1 1 15 15 SER HA H 15 4.378 4.378 4.605 -0.227 18905 3211 1 6 . 1 1 15 15 SER CA C 15 55.853 55.853 58.005 -2.152 18905 3212 1 6 . 1 1 15 15 SER CB C 15 59.406 59.406 64.076 -4.670 18905 3213 1 6 . 1 1 15 15 SER H H 15 8.085 8.085 7.978 0.107 18905 3214 1 6 . 1 1 16 16 GLU N N 16 120.501 120.501 123.030 -2.529 18905 3215 1 6 . 1 1 16 16 GLU HA H 16 4.664 4.664 4.739 -0.075 18905 3216 1 6 . 1 1 16 16 GLU CA C 16 50.628 50.628 54.555 -3.927 18905 3217 1 6 . 1 1 16 16 GLU CB C 16 36.442 36.442 29.185 7.257 18905 3218 1 6 . 1 1 16 16 GLU H H 16 8.376 8.376 8.535 -0.159 18905 3219 1 6 . 1 1 17 17 PRO CA C 17 65.700 65.700 63.447 2.253 18905 3220 1 6 . 1 1 22 22 ALA N N 22 124.130 124.130 123.036 1.094 18905 3221 1 6 . 1 1 22 22 ALA HA H 22 4.178 4.178 4.320 -0.142 18905 3222 1 6 . 1 1 22 22 ALA CA C 22 49.746 49.746 52.656 -2.910 18905 3223 1 6 . 1 1 22 22 ALA CB C 22 16.789 16.789 17.974 -1.185 18905 3224 1 6 . 1 1 22 22 ALA H H 22 8.096 8.096 8.579 -0.483 18905 3225 1 6 . 1 1 23 23 ASN N N 23 117.516 117.516 120.218 -2.702 18905 3226 1 6 . 1 1 23 23 ASN HA H 23 4.672 4.672 4.860 -0.188 18905 3227 1 6 . 1 1 23 23 ASN C C 23 171.179 171.179 172.708 -1.529 18905 3228 1 6 . 1 1 23 23 ASN CA C 23 50.084 50.084 51.910 -1.826 18905 3229 1 6 . 1 1 23 23 ASN CB C 23 36.737 36.737 41.050 -4.313 18905 3230 1 6 . 1 1 23 23 ASN H H 23 8.037 8.037 7.993 0.044 18905 3231 1 6 . 1 1 24 24 ASP N N 24 118.387 118.387 117.180 1.207 18905 3232 1 6 . 1 1 24 24 ASP HA H 24 4.676 4.676 4.870 -0.194 18905 3233 1 6 . 1 1 24 24 ASP CA C 24 50.660 50.660 53.859 -3.199 18905 3234 1 6 . 1 1 24 24 ASP CB C 24 40.670 40.670 42.512 -1.842 18905 3235 1 6 . 1 1 24 24 ASP H H 24 8.198 8.198 8.567 -0.369 18905 3236 1 6 . 1 1 25 25 THR N N 25 114.224 114.224 115.229 -1.005 18905 3237 1 6 . 1 1 25 25 THR HA H 25 5.275 5.275 4.713 0.562 18905 3238 1 6 . 1 1 25 25 THR CA C 25 59.162 59.162 61.648 -2.486 18905 3239 1 6 . 1 1 25 25 THR CB C 25 68.849 68.849 72.386 -3.537 18905 3240 1 6 . 1 1 25 25 THR H H 25 8.090 8.090 8.125 -0.035 18905 3241 1 6 . 1 1 26 26 ILE N N 26 126.637 126.637 122.876 3.761 18905 3242 1 6 . 1 1 26 26 ILE HA H 26 4.650 4.650 4.515 0.135 18905 3243 1 6 . 1 1 26 26 ILE C C 26 171.500 171.500 174.271 -2.771 18905 3244 1 6 . 1 1 26 26 ILE CA C 26 56.930 56.930 61.036 -4.106 18905 3245 1 6 . 1 1 26 26 ILE CB C 26 38.159 38.159 40.787 -2.628 18905 3246 1 6 . 1 1 26 26 ILE H H 26 9.314 9.314 9.049 0.265 18905 3247 1 6 . 1 1 27 27 ILE N N 27 126.764 126.764 122.691 4.073 18905 3248 1 6 . 1 1 27 27 ILE HA H 27 4.955 4.955 5.023 -0.068 18905 3249 1 6 . 1 1 27 27 ILE C C 27 171.462 171.462 173.737 -2.275 18905 3250 1 6 . 1 1 27 27 ILE CA C 27 56.909 56.909 58.796 -1.887 18905 3251 1 6 . 1 1 27 27 ILE CB C 27 38.397 38.397 42.970 -4.573 18905 3252 1 6 . 1 1 27 27 ILE H H 27 9.280 9.280 8.016 1.264 18905 3253 1 6 . 1 1 28 28 LEU N N 28 125.666 125.666 120.972 4.694 18905 3254 1 6 . 1 1 28 28 LEU HA H 28 4.858 4.858 4.792 0.066 18905 3255 1 6 . 1 1 28 28 LEU C C 28 172.714 172.714 175.923 -3.209 18905 3256 1 6 . 1 1 28 28 LEU CA C 28 50.153 50.153 53.029 -2.877 18905 3257 1 6 . 1 1 28 28 LEU CB C 28 39.943 39.943 45.213 -5.270 18905 3258 1 6 . 1 1 28 28 LEU H H 28 8.791 8.791 8.303 0.488 18905 3259 1 6 . 1 1 29 29 ARG N N 29 119.656 119.656 118.701 0.955 18905 3260 1 6 . 1 1 29 29 ARG HA H 29 5.023 5.023 4.883 0.140 18905 3261 1 6 . 1 1 29 29 ARG C C 29 172.927 172.927 175.986 -3.059 18905 3262 1 6 . 1 1 29 29 ARG CA C 29 51.933 51.933 55.122 -3.189 18905 3263 1 6 . 1 1 29 29 ARG CB C 29 31.298 31.298 34.128 -2.830 18905 3264 1 6 . 1 1 29 29 ARG H H 29 8.742 8.742 8.630 0.112 18905 3265 1 6 . 1 1 30 30 ASN N N 30 115.104 115.104 116.480 -1.376 18905 3266 1 6 . 1 1 30 30 ASN HA H 30 4.319 4.319 4.340 -0.021 18905 3267 1 6 . 1 1 30 30 ASN C C 30 172.025 172.025 174.450 -2.425 18905 3268 1 6 . 1 1 30 30 ASN CA C 30 51.550 51.550 54.261 -2.711 18905 3269 1 6 . 1 1 30 30 ASN CB C 30 35.656 35.656 37.541 -1.885 18905 3270 1 6 . 1 1 30 30 ASN H H 30 8.292 8.292 8.734 -0.442 18905 3271 1 6 . 1 1 31 31 LEU N N 31 113.394 113.394 117.218 -3.824 18905 3272 1 6 . 1 1 31 31 LEU HA H 31 3.915 3.915 4.249 -0.334 18905 3273 1 6 . 1 1 31 31 LEU C C 31 175.815 175.815 176.236 -0.421 18905 3274 1 6 . 1 1 31 31 LEU CA C 31 52.148 52.148 54.455 -2.307 18905 3275 1 6 . 1 1 31 31 LEU CB C 31 39.876 39.876 43.181 -3.305 18905 3276 1 6 . 1 1 31 31 LEU H H 31 7.602 7.602 7.842 -0.240 18905 3277 1 6 . 1 1 32 32 ASN N N 32 123.357 123.357 118.778 4.579 18905 3278 1 6 . 1 1 32 32 ASN HA H 32 4.476 4.476 4.976 -0.500 18905 3279 1 6 . 1 1 32 32 ASN CA C 32 48.784 48.784 51.444 -2.660 18905 3280 1 6 . 1 1 32 32 ASN CB C 32 36.284 36.284 38.998 -2.714 18905 3281 1 6 . 1 1 32 32 ASN H H 32 9.816 9.816 8.334 1.482 18905 3282 1 6 . 1 1 33 33 PRO HA H 33 4.339 4.339 4.480 -0.141 18905 3283 1 6 . 1 1 33 33 PRO CA C 33 61.514 61.514 65.285 -3.771 18905 3284 1 6 . 1 1 33 33 PRO CB C 33 30.320 30.320 32.080 -1.760 18905 3285 1 6 . 1 1 34 34 HIS N N 34 111.187 111.187 113.901 -2.714 18905 3286 1 6 . 1 1 34 34 HIS HA H 34 4.402 4.402 4.687 -0.285 18905 3287 1 6 . 1 1 34 34 HIS CA C 34 53.125 53.125 55.745 -2.619 18905 3288 1 6 . 1 1 34 34 HIS CB C 34 25.760 25.760 30.482 -4.721 18905 3289 1 6 . 1 1 34 34 HIS H H 34 8.856 8.856 8.471 0.385 18905 3290 1 6 . 1 1 35 35 SER N N 35 118.219 118.219 116.254 1.965 18905 3291 1 6 . 1 1 35 35 SER HA H 35 4.718 4.718 4.469 0.249 18905 3292 1 6 . 1 1 35 35 SER CB C 35 60.222 60.222 64.074 -3.852 18905 3293 1 6 . 1 1 35 35 SER H H 35 8.262 8.262 7.709 0.553 18905 3294 1 6 . 1 1 36 36 THR N N 36 114.157 114.157 111.671 2.486 18905 3295 1 6 . 1 1 36 36 THR HA H 36 4.545 4.545 4.737 -0.192 18905 3296 1 6 . 1 1 36 36 THR CA C 36 56.508 56.508 60.557 -4.049 18905 3297 1 6 . 1 1 36 36 THR CB C 36 70.051 70.051 70.380 -0.329 18905 3298 1 6 . 1 1 36 36 THR H H 36 8.451 8.451 8.254 0.197 18905 3299 1 6 . 1 1 37 37 MET N N 37 119.815 119.815 116.858 2.957 18905 3300 1 6 . 1 1 37 37 MET HA H 37 3.943 3.943 4.422 -0.479 18905 3301 1 6 . 1 1 37 37 MET CA C 37 56.204 56.204 57.900 -1.696 18905 3302 1 6 . 1 1 37 37 MET CB C 37 28.959 28.959 32.673 -3.714 18905 3303 1 6 . 1 1 37 37 MET H H 37 8.928 8.928 8.364 0.564 18905 3304 1 6 . 1 1 38 38 ASP N N 38 115.357 115.357 119.875 -4.518 18905 3305 1 6 . 1 1 38 38 ASP HA H 38 4.301 4.301 4.541 -0.240 18905 3306 1 6 . 1 1 38 38 ASP CA C 38 54.750 54.750 56.954 -2.204 18905 3307 1 6 . 1 1 38 38 ASP CB C 38 37.934 37.934 40.500 -2.566 18905 3308 1 6 . 1 1 38 38 ASP H H 38 8.096 8.096 8.645 -0.549 18905 3309 1 6 . 1 1 39 39 SER N N 39 118.933 118.933 114.271 4.662 18905 3310 1 6 . 1 1 39 39 SER HA H 39 4.253 4.253 4.172 0.081 18905 3311 1 6 . 1 1 39 39 SER C C 39 174.818 174.818 175.406 -0.588 18905 3312 1 6 . 1 1 39 39 SER CA C 39 58.767 58.767 61.042 -2.275 18905 3313 1 6 . 1 1 39 39 SER CB C 39 61.631 61.631 63.045 -1.414 18905 3314 1 6 . 1 1 39 39 SER H H 39 8.088 8.088 8.307 -0.219 18905 3315 1 6 . 1 1 40 40 ILE N N 40 124.376 124.376 119.411 4.965 18905 3316 1 6 . 1 1 40 40 ILE HA H 40 3.538 3.538 4.021 -0.483 18905 3317 1 6 . 1 1 40 40 ILE C C 40 174.358 174.358 177.371 -3.013 18905 3318 1 6 . 1 1 40 40 ILE CA C 40 62.936 62.936 63.548 -0.612 18905 3319 1 6 . 1 1 40 40 ILE CB C 40 35.725 35.725 38.705 -2.980 18905 3320 1 6 . 1 1 40 40 ILE H H 40 8.009 8.009 7.518 0.491 18905 3321 1 6 . 1 1 41 41 LEU N N 41 117.914 117.914 119.962 -2.048 18905 3322 1 6 . 1 1 41 41 LEU HA H 41 3.818 3.818 4.141 -0.323 18905 3323 1 6 . 1 1 41 41 LEU C C 41 178.292 178.292 177.888 0.404 18905 3324 1 6 . 1 1 41 41 LEU CA C 41 55.496 55.496 56.606 -1.110 18905 3325 1 6 . 1 1 41 41 LEU CB C 41 38.574 38.574 41.421 -2.847 18905 3326 1 6 . 1 1 41 41 LEU H H 41 8.574 8.574 7.737 0.837 18905 3327 1 6 . 1 1 42 42 GLY N N 42 105.053 105.053 104.260 0.793 18905 3328 1 6 . 1 1 42 42 GLY C C 42 173.318 173.318 173.474 -0.156 18905 3329 1 6 . 1 1 42 42 GLY CA C 42 44.283 44.283 45.087 -0.804 18905 3330 1 6 . 1 1 42 42 GLY H H 42 8.207 8.207 7.866 0.341 18905 3331 1 6 . 1 1 43 43 ALA N N 43 122.411 122.411 123.329 -0.918 18905 3332 1 6 . 1 1 43 43 ALA HA H 43 4.245 4.245 4.698 -0.453 18905 3333 1 6 . 1 1 43 43 ALA C C 43 176.200 176.200 177.303 -1.103 18905 3334 1 6 . 1 1 43 43 ALA CA C 43 51.148 51.148 52.565 -1.417 18905 3335 1 6 . 1 1 43 43 ALA CB C 43 17.381 17.381 20.998 -3.617 18905 3336 1 6 . 1 1 43 43 ALA H H 43 7.571 7.571 7.783 -0.212 18905 3337 1 6 . 1 1 44 44 LEU N N 44 113.121 113.121 118.714 -5.593 18905 3338 1 6 . 1 1 44 44 LEU HA H 44 4.514 4.514 4.770 -0.256 18905 3339 1 6 . 1 1 44 44 LEU C C 44 174.187 174.187 178.420 -4.233 18905 3340 1 6 . 1 1 44 44 LEU CA C 44 52.247 52.247 54.112 -1.865 18905 3341 1 6 . 1 1 44 44 LEU CB C 44 40.210 40.210 41.483 -1.273 18905 3342 1 6 . 1 1 44 44 LEU H H 44 7.533 7.533 7.728 -0.195 18905 3343 1 6 . 1 1 45 45 ALA N N 45 123.574 123.574 125.534 -1.960 18905 3344 1 6 . 1 1 45 45 ALA HA H 45 4.313 4.313 4.053 0.260 18905 3345 1 6 . 1 1 45 45 ALA CA C 45 53.187 53.187 56.175 -2.988 18905 3346 1 6 . 1 1 45 45 ALA CB C 45 14.134 14.134 16.246 -2.112 18905 3347 1 6 . 1 1 45 45 ALA H H 45 7.398 7.398 8.646 -1.248 18905 3348 1 6 . 1 1 46 46 PRO HA H 46 4.043 4.043 4.221 -0.178 18905 3349 1 6 . 1 1 46 46 PRO CA C 46 61.784 61.784 64.180 -2.396 18905 3350 1 6 . 1 1 46 46 PRO CB C 46 27.999 27.999 31.194 -3.195 18905 3351 1 6 . 1 1 47 47 TYR N N 47 114.404 114.404 117.600 -3.196 18905 3352 1 6 . 1 1 47 47 TYR HA H 47 4.527 4.527 4.749 -0.222 18905 3353 1 6 . 1 1 47 47 TYR CA C 47 54.406 54.406 56.177 -1.771 18905 3354 1 6 . 1 1 47 47 TYR CB C 47 37.537 37.537 38.572 -1.034 18905 3355 1 6 . 1 1 47 47 TYR H H 47 7.897 7.897 7.606 0.291 18905 3356 1 6 . 1 1 48 48 ALA N N 48 119.845 119.845 120.795 -0.950 18905 3357 1 6 . 1 1 48 48 ALA HA H 48 4.360 4.360 4.702 -0.342 18905 3358 1 6 . 1 1 48 48 ALA C C 48 171.938 171.938 175.115 -3.177 18905 3359 1 6 . 1 1 48 48 ALA CA C 48 49.129 49.129 51.015 -1.886 18905 3360 1 6 . 1 1 48 48 ALA CB C 48 19.614 19.614 21.481 -1.867 18905 3361 1 6 . 1 1 48 48 ALA H H 48 8.083 8.083 7.334 0.749 18905 3362 1 6 . 1 1 49 49 VAL N N 49 122.528 122.528 120.119 2.409 18905 3363 1 6 . 1 1 49 49 VAL HA H 49 3.904 3.904 4.411 -0.507 18905 3364 1 6 . 1 1 49 49 VAL C C 49 172.490 172.490 174.570 -2.080 18905 3365 1 6 . 1 1 49 49 VAL CA C 49 60.373 60.373 62.593 -2.220 18905 3366 1 6 . 1 1 49 49 VAL CB C 49 28.257 28.257 31.301 -3.044 18905 3367 1 6 . 1 1 49 49 VAL H H 49 8.414 8.414 8.441 -0.027 18905 3368 1 6 . 1 1 50 50 LEU N N 50 127.924 127.924 122.621 5.303 18905 3369 1 6 . 1 1 50 50 LEU HA H 50 4.650 4.650 4.831 -0.181 18905 3370 1 6 . 1 1 50 50 LEU C C 50 172.488 172.488 174.851 -2.363 18905 3371 1 6 . 1 1 50 50 LEU CA C 50 50.523 50.523 54.094 -3.571 18905 3372 1 6 . 1 1 50 50 LEU CB C 50 42.647 42.647 43.745 -1.098 18905 3373 1 6 . 1 1 50 50 LEU H H 50 7.904 7.904 7.674 0.230 18905 3374 1 6 . 1 1 51 51 SER N N 51 114.999 114.999 113.302 1.697 18905 3375 1 6 . 1 1 51 51 SER HA H 51 4.783 4.783 4.883 -0.100 18905 3376 1 6 . 1 1 51 51 SER C C 51 172.827 172.827 174.287 -1.460 18905 3377 1 6 . 1 1 51 51 SER CA C 51 53.708 53.708 57.851 -4.143 18905 3378 1 6 . 1 1 51 51 SER CB C 51 63.424 63.424 65.542 -2.118 18905 3379 1 6 . 1 1 51 51 SER H H 51 8.623 8.623 8.473 0.150 18905 3380 1 6 . 1 1 52 52 SER N N 52 118.355 118.355 116.869 1.486 18905 3381 1 6 . 1 1 52 52 SER HA H 52 4.301 4.301 4.216 0.085 18905 3382 1 6 . 1 1 52 52 SER C C 52 173.242 173.242 176.071 -2.829 18905 3383 1 6 . 1 1 52 52 SER CA C 52 58.709 58.709 60.553 -1.844 18905 3384 1 6 . 1 1 52 52 SER CB C 52 59.826 59.826 62.921 -3.095 18905 3385 1 6 . 1 1 52 52 SER H H 52 9.117 9.117 8.606 0.511 18905 3386 1 6 . 1 1 53 53 SER N N 53 114.926 114.926 118.422 -3.496 18905 3387 1 6 . 1 1 53 53 SER HA H 53 4.292 4.292 4.206 0.086 18905 3388 1 6 . 1 1 53 53 SER CA C 53 57.882 57.882 61.325 -3.443 18905 3389 1 6 . 1 1 53 53 SER CB C 53 60.220 60.220 62.907 -2.687 18905 3390 1 6 . 1 1 53 53 SER H H 53 8.014 8.014 8.192 -0.178 18905 3391 1 6 . 1 1 54 54 ASN N N 54 116.432 116.432 119.733 -3.301 18905 3392 1 6 . 1 1 54 54 ASN HA H 54 4.914 4.914 4.572 0.342 18905 3393 1 6 . 1 1 54 54 ASN C C 54 170.744 170.744 176.040 -5.296 18905 3394 1 6 . 1 1 54 54 ASN CA C 54 52.054 52.054 55.511 -3.457 18905 3395 1 6 . 1 1 54 54 ASN CB C 54 38.952 38.952 38.803 0.149 18905 3396 1 6 . 1 1 54 54 ASN H H 54 7.996 7.996 7.844 0.152 18905 3397 1 6 . 1 1 55 55 VAL N N 55 118.877 118.877 120.916 -2.039 18905 3398 1 6 . 1 1 55 55 VAL HA H 55 4.891 4.891 4.042 0.849 18905 3399 1 6 . 1 1 55 55 VAL C C 55 171.238 171.238 175.314 -4.076 18905 3400 1 6 . 1 1 55 55 VAL CA C 55 58.709 58.709 63.111 -4.402 18905 3401 1 6 . 1 1 55 55 VAL CB C 55 31.652 31.652 29.338 2.314 18905 3402 1 6 . 1 1 55 55 VAL H H 55 7.421 7.421 7.287 0.134 18905 3403 1 6 . 1 1 56 56 ARG N N 56 125.757 125.757 128.826 -3.069 18905 3404 1 6 . 1 1 56 56 ARG HA H 56 4.708 4.708 4.654 0.054 18905 3405 1 6 . 1 1 56 56 ARG C C 56 172.321 172.321 174.123 -1.802 18905 3406 1 6 . 1 1 56 56 ARG CA C 56 51.878 51.878 54.144 -2.266 18905 3407 1 6 . 1 1 56 56 ARG CB C 56 30.211 30.211 32.218 -2.007 18905 3408 1 6 . 1 1 56 56 ARG H H 56 9.011 9.011 8.841 0.170 18905 3409 1 6 . 1 1 57 57 VAL N N 57 125.646 125.646 125.936 -0.290 18905 3410 1 6 . 1 1 57 57 VAL HA H 57 3.878 3.878 4.193 -0.315 18905 3411 1 6 . 1 1 57 57 VAL C C 57 172.129 172.129 174.551 -2.422 18905 3412 1 6 . 1 1 57 57 VAL CA C 57 59.043 59.043 60.029 -0.986 18905 3413 1 6 . 1 1 57 57 VAL CB C 57 30.019 30.019 33.329 -3.310 18905 3414 1 6 . 1 1 57 57 VAL H H 57 8.794 8.794 8.615 0.179 18905 3415 1 6 . 1 1 58 58 ILE N N 58 127.547 127.547 130.741 -3.194 18905 3416 1 6 . 1 1 58 58 ILE HA H 58 4.049 4.049 4.142 -0.093 18905 3417 1 6 . 1 1 58 58 ILE C C 58 172.672 172.672 175.633 -2.961 18905 3418 1 6 . 1 1 58 58 ILE CA C 58 57.246 57.246 60.819 -3.573 18905 3419 1 6 . 1 1 58 58 ILE CB C 58 32.839 32.839 38.670 -5.831 18905 3420 1 6 . 1 1 58 58 ILE H H 58 7.259 7.259 8.320 -1.061 18905 3421 1 6 . 1 1 59 59 LYS N N 59 127.231 127.231 123.997 3.234 18905 3422 1 6 . 1 1 59 59 LYS HA H 59 4.532 4.532 4.642 -0.110 18905 3423 1 6 . 1 1 59 59 LYS C C 59 173.119 173.119 175.464 -2.345 18905 3424 1 6 . 1 1 59 59 LYS CA C 59 52.444 52.444 54.759 -2.315 18905 3425 1 6 . 1 1 59 59 LYS CB C 59 32.374 32.374 34.559 -2.185 18905 3426 1 6 . 1 1 59 59 LYS H H 59 8.571 8.571 8.046 0.525 18905 3427 1 6 . 1 1 60 60 ASP N N 60 123.232 123.232 121.195 2.037 18905 3428 1 6 . 1 1 60 60 ASP HA H 60 4.496 4.496 4.692 -0.196 18905 3429 1 6 . 1 1 60 60 ASP C C 60 174.118 174.118 175.784 -1.666 18905 3430 1 6 . 1 1 60 60 ASP CA C 60 50.786 50.786 53.527 -2.741 18905 3431 1 6 . 1 1 60 60 ASP CB C 60 40.058 40.058 42.344 -2.286 18905 3432 1 6 . 1 1 60 60 ASP H H 60 8.527 8.527 8.725 -0.198 18905 3433 1 6 . 1 1 61 61 LYS N N 61 125.977 125.977 120.823 5.154 18905 3434 1 6 . 1 1 61 61 LYS HA H 61 3.918 3.918 4.286 -0.368 18905 3435 1 6 . 1 1 61 61 LYS C C 61 174.696 174.696 177.479 -2.783 18905 3436 1 6 . 1 1 61 61 LYS CA C 61 56.017 56.017 58.368 -2.351 18905 3437 1 6 . 1 1 61 61 LYS CB C 61 29.813 29.813 32.921 -3.108 18905 3438 1 6 . 1 1 61 61 LYS H H 61 8.770 8.770 8.485 0.285 18905 3439 1 6 . 1 1 62 62 GLN N N 62 116.732 116.732 118.482 -1.750 18905 3440 1 6 . 1 1 62 62 GLN HA H 62 4.252 4.252 4.159 0.093 18905 3441 1 6 . 1 1 62 62 GLN C C 62 174.793 174.793 176.878 -2.085 18905 3442 1 6 . 1 1 62 62 GLN CA C 62 55.001 55.001 57.517 -2.516 18905 3443 1 6 . 1 1 62 62 GLN CB C 62 26.516 26.516 29.424 -2.908 18905 3444 1 6 . 1 1 62 62 GLN H H 62 8.538 8.538 8.506 0.032 18905 3445 1 6 . 1 1 63 63 THR N N 63 108.519 108.519 111.376 -2.857 18905 3446 1 6 . 1 1 63 63 THR HA H 63 4.265 4.265 4.567 -0.302 18905 3447 1 6 . 1 1 63 63 THR CA C 63 59.302 59.302 59.897 -0.595 18905 3448 1 6 . 1 1 63 63 THR CB C 63 67.891 67.891 71.076 -3.185 18905 3449 1 6 . 1 1 63 63 THR H H 63 7.882 7.882 8.015 -0.133 18905 3450 1 6 . 1 1 64 64 GLN N N 64 113.890 113.890 120.357 -6.467 18905 3451 1 6 . 1 1 64 64 GLN HA H 64 3.829 3.829 4.583 -0.754 18905 3452 1 6 . 1 1 64 64 GLN C C 64 172.129 172.129 174.930 -2.801 18905 3453 1 6 . 1 1 64 64 GLN CA C 64 54.560 54.560 54.882 -0.322 18905 3454 1 6 . 1 1 64 64 GLN CB C 64 23.812 23.812 27.013 -3.201 18905 3455 1 6 . 1 1 64 64 GLN H H 64 8.188 8.188 8.644 -0.456 18905 3456 1 6 . 1 1 65 65 LEU N N 65 119.516 119.516 119.964 -0.448 18905 3457 1 6 . 1 1 65 65 LEU HA H 65 4.463 4.463 4.583 -0.120 18905 3458 1 6 . 1 1 65 65 LEU C C 65 174.174 174.174 175.368 -1.194 18905 3459 1 6 . 1 1 65 65 LEU CA C 65 51.024 51.024 52.965 -1.941 18905 3460 1 6 . 1 1 65 65 LEU CB C 65 39.608 39.608 45.849 -6.241 18905 3461 1 6 . 1 1 65 65 LEU H H 65 7.682 7.682 7.366 0.316 18905 3462 1 6 . 1 1 66 66 ASN N N 66 117.776 117.776 118.213 -0.437 18905 3463 1 6 . 1 1 66 66 ASN HA H 66 4.958 4.958 4.737 0.221 18905 3464 1 6 . 1 1 66 66 ASN C C 66 171.913 171.913 176.649 -4.736 18905 3465 1 6 . 1 1 66 66 ASN CA C 66 50.440 50.440 53.789 -3.349 18905 3466 1 6 . 1 1 66 66 ASN CB C 66 36.771 36.771 38.957 -2.186 18905 3467 1 6 . 1 1 66 66 ASN H H 66 8.771 8.771 8.399 0.372 18905 3468 1 6 . 1 1 67 67 ARG N N 67 117.508 117.508 122.267 -4.759 18905 3469 1 6 . 1 1 67 67 ARG HA H 67 4.193 4.193 4.365 -0.172 18905 3470 1 6 . 1 1 67 67 ARG CA C 67 53.615 53.615 55.907 -2.292 18905 3471 1 6 . 1 1 67 67 ARG CB C 67 28.137 28.137 30.545 -2.408 18905 3472 1 6 . 1 1 67 67 ARG H H 67 8.313 8.313 8.405 -0.092 18905 3473 1 6 . 1 1 68 68 GLY N N 68 107.904 107.904 106.463 1.441 18905 3474 1 6 . 1 1 68 68 GLY CA C 68 42.842 42.842 45.517 -2.675 18905 3475 1 6 . 1 1 68 68 GLY H H 68 9.437 9.437 8.705 0.732 18905 3476 1 6 . 1 1 69 69 PHE N N 69 113.804 113.804 116.324 -2.520 18905 3477 1 6 . 1 1 69 69 PHE HA H 69 5.754 5.754 5.456 0.298 18905 3478 1 6 . 1 1 69 69 PHE C C 69 170.151 170.151 172.852 -2.701 18905 3479 1 6 . 1 1 69 69 PHE CA C 69 51.625 51.625 54.173 -2.548 18905 3480 1 6 . 1 1 69 69 PHE CB C 69 39.587 39.587 41.411 -1.824 18905 3481 1 6 . 1 1 69 69 PHE H H 69 6.750 6.750 7.694 -0.944 18905 3482 1 6 . 1 1 70 70 ALA N N 70 118.965 118.965 119.130 -0.165 18905 3483 1 6 . 1 1 70 70 ALA HA H 70 4.807 4.807 3.878 0.929 18905 3484 1 6 . 1 1 70 70 ALA C C 70 171.693 171.693 174.347 -2.654 18905 3485 1 6 . 1 1 70 70 ALA CA C 70 47.155 47.155 51.059 -3.904 18905 3486 1 6 . 1 1 70 70 ALA CB C 70 21.153 21.153 21.626 -0.473 18905 3487 1 6 . 1 1 70 70 ALA H H 70 8.526 8.526 7.521 1.005 18905 3488 1 6 . 1 1 71 71 PHE N N 71 117.469 117.469 117.310 0.159 18905 3489 1 6 . 1 1 71 71 PHE HA H 71 5.537 5.537 5.335 0.202 18905 3490 1 6 . 1 1 71 71 PHE C C 71 172.630 172.630 174.450 -1.820 18905 3491 1 6 . 1 1 71 71 PHE CA C 71 52.609 52.609 56.096 -3.487 18905 3492 1 6 . 1 1 71 71 PHE CB C 71 39.675 39.675 44.157 -4.482 18905 3493 1 6 . 1 1 71 71 PHE H H 71 8.824 8.824 8.664 0.160 18905 3494 1 6 . 1 1 72 72 ILE N N 72 122.867 122.867 121.443 1.424 18905 3495 1 6 . 1 1 72 72 ILE HA H 72 5.022 5.022 4.810 0.212 18905 3496 1 6 . 1 1 72 72 ILE CA C 72 56.881 56.881 60.173 -3.292 18905 3497 1 6 . 1 1 72 72 ILE CB C 72 37.031 37.031 41.708 -4.677 18905 3498 1 6 . 1 1 72 72 ILE H H 72 9.555 9.555 9.144 0.411 18905 3499 1 6 . 1 1 73 73 GLN N N 73 128.422 128.422 128.412 0.010 18905 3500 1 6 . 1 1 73 73 GLN HA H 73 5.170 5.170 4.328 0.842 18905 3501 1 6 . 1 1 73 73 GLN CA C 73 52.252 52.252 56.617 -4.365 18905 3502 1 6 . 1 1 73 73 GLN CB C 73 28.291 28.291 29.688 -1.397 18905 3503 1 6 . 1 1 73 73 GLN H H 73 8.964 8.964 8.167 0.797 18905 3504 1 6 . 1 1 74 74 LEU N N 74 126.707 126.707 126.474 0.233 18905 3505 1 6 . 1 1 74 74 LEU HA H 74 4.789 4.789 4.606 0.183 18905 3506 1 6 . 1 1 74 74 LEU CA C 74 50.617 50.617 54.220 -3.603 18905 3507 1 6 . 1 1 74 74 LEU CB C 74 44.885 44.885 45.183 -0.298 18905 3508 1 6 . 1 1 74 74 LEU H H 74 8.420 8.420 8.375 0.045 18905 3509 1 6 . 1 1 75 75 SER HA H 75 4.284 4.284 5.082 -0.798 18905 3510 1 6 . 1 1 75 75 SER CA C 75 55.390 55.390 55.643 -0.253 18905 3511 1 6 . 1 1 75 75 SER CB C 75 61.275 61.275 65.077 -3.802 18905 3512 1 6 . 1 1 76 76 THR N N 76 116.193 116.193 116.717 -0.524 18905 3513 1 6 . 1 1 76 76 THR HA H 76 3.994 3.994 4.073 -0.079 18905 3514 1 6 . 1 1 76 76 THR C C 76 174.630 174.630 176.197 -1.567 18905 3515 1 6 . 1 1 76 76 THR CA C 76 64.225 64.225 65.518 -1.293 18905 3516 1 6 . 1 1 76 76 THR CB C 76 66.003 66.003 68.503 -2.500 18905 3517 1 6 . 1 1 76 76 THR H H 76 8.614 8.614 8.606 0.008 18905 3518 1 6 . 1 1 77 77 ILE N N 77 120.400 120.400 120.034 0.366 18905 3519 1 6 . 1 1 77 77 ILE HA H 77 3.911 3.911 3.857 0.054 18905 3520 1 6 . 1 1 77 77 ILE C C 77 175.577 175.577 177.611 -2.034 18905 3521 1 6 . 1 1 77 77 ILE CA C 77 61.264 61.264 64.172 -2.908 18905 3522 1 6 . 1 1 77 77 ILE CB C 77 35.379 35.379 37.770 -2.390 18905 3523 1 6 . 1 1 77 77 ILE H H 77 8.044 8.044 8.339 -0.295 18905 3524 1 6 . 1 1 78 78 GLU N N 78 120.562 120.562 120.456 0.106 18905 3525 1 6 . 1 1 78 78 GLU HA H 78 4.062 4.062 3.977 0.085 18905 3526 1 6 . 1 1 78 78 GLU C C 78 176.596 176.596 178.521 -1.925 18905 3527 1 6 . 1 1 78 78 GLU CA C 78 56.355 56.355 59.679 -3.324 18905 3528 1 6 . 1 1 78 78 GLU CB C 78 27.668 27.668 29.066 -1.398 18905 3529 1 6 . 1 1 78 78 GLU H H 78 7.548 7.548 8.291 -0.743 18905 3530 1 6 . 1 1 79 79 ALA N N 79 122.789 122.789 120.462 2.327 18905 3531 1 6 . 1 1 79 79 ALA HA H 79 3.923 3.923 4.172 -0.249 18905 3532 1 6 . 1 1 79 79 ALA C C 79 175.736 175.736 179.065 -3.329 18905 3533 1 6 . 1 1 79 79 ALA CA C 79 52.649 52.649 54.720 -2.071 18905 3534 1 6 . 1 1 79 79 ALA CB C 79 15.305 15.305 18.248 -2.943 18905 3535 1 6 . 1 1 79 79 ALA H H 79 9.279 9.279 8.437 0.842 18905 3536 1 6 . 1 1 80 80 ALA N N 80 118.643 118.643 120.557 -1.914 18905 3537 1 6 . 1 1 80 80 ALA HA H 80 4.001 4.001 3.919 0.082 18905 3538 1 6 . 1 1 80 80 ALA C C 80 177.943 177.943 179.166 -1.223 18905 3539 1 6 . 1 1 80 80 ALA CA C 80 52.521 52.521 53.997 -1.476 18905 3540 1 6 . 1 1 80 80 ALA CB C 80 15.281 15.281 19.213 -3.932 18905 3541 1 6 . 1 1 80 80 ALA H H 80 7.688 7.688 7.374 0.314 18905 3542 1 6 . 1 1 81 81 GLN N N 81 116.877 116.877 119.426 -2.549 18905 3543 1 6 . 1 1 81 81 GLN HA H 81 4.015 4.015 4.097 -0.082 18905 3544 1 6 . 1 1 81 81 GLN CA C 81 55.760 55.760 58.683 -2.923 18905 3545 1 6 . 1 1 81 81 GLN CB C 81 25.786 25.786 28.596 -2.810 18905 3546 1 6 . 1 1 81 81 GLN H H 81 7.593 7.593 8.317 -0.724 18905 3547 1 6 . 1 1 82 82 LEU N N 82 119.946 119.946 120.477 -0.531 18905 3548 1 6 . 1 1 82 82 LEU HA H 82 4.121 4.121 4.082 0.039 18905 3549 1 6 . 1 1 82 82 LEU C C 82 175.358 175.358 178.985 -3.627 18905 3550 1 6 . 1 1 82 82 LEU CA C 82 54.781 54.781 57.344 -2.563 18905 3551 1 6 . 1 1 82 82 LEU CB C 82 38.240 38.240 41.973 -3.733 18905 3552 1 6 . 1 1 82 82 LEU H H 82 8.258 8.258 8.214 0.044 18905 3553 1 6 . 1 1 83 83 LEU N N 83 119.288 119.288 118.273 1.015 18905 3554 1 6 . 1 1 83 83 LEU HA H 83 3.585 3.585 4.040 -0.455 18905 3555 1 6 . 1 1 83 83 LEU C C 83 175.365 175.365 178.453 -3.088 18905 3556 1 6 . 1 1 83 83 LEU CA C 83 56.142 56.142 57.598 -1.456 18905 3557 1 6 . 1 1 83 83 LEU CB C 83 38.875 38.875 42.220 -3.345 18905 3558 1 6 . 1 1 83 83 LEU H H 83 8.407 8.407 7.945 0.462 18905 3559 1 6 . 1 1 84 84 GLN N N 84 115.391 115.391 118.191 -2.800 18905 3560 1 6 . 1 1 84 84 GLN HA H 84 3.878 3.878 4.071 -0.193 18905 3561 1 6 . 1 1 84 84 GLN C C 84 176.472 176.472 178.933 -2.461 18905 3562 1 6 . 1 1 84 84 GLN CA C 84 56.142 56.142 58.951 -2.809 18905 3563 1 6 . 1 1 84 84 GLN CB C 84 25.733 25.733 28.167 -2.434 18905 3564 1 6 . 1 1 84 84 GLN H H 84 7.347 7.347 7.760 -0.413 18905 3565 1 6 . 1 1 85 85 ILE N N 85 119.593 119.593 121.401 -1.808 18905 3566 1 6 . 1 1 85 85 ILE HA H 85 3.607 3.607 3.638 -0.031 18905 3567 1 6 . 1 1 85 85 ILE CA C 85 61.779 61.779 64.584 -2.805 18905 3568 1 6 . 1 1 85 85 ILE CB C 85 35.948 35.948 37.675 -1.727 18905 3569 1 6 . 1 1 85 85 ILE H H 85 7.650 7.650 7.326 0.324 18905 3570 1 6 . 1 1 86 86 LEU N N 86 116.537 116.537 117.851 -1.314 18905 3571 1 6 . 1 1 86 86 LEU HA H 86 3.757 3.757 3.978 -0.221 18905 3572 1 6 . 1 1 86 86 LEU C C 86 177.610 177.610 178.547 -0.937 18905 3573 1 6 . 1 1 86 86 LEU CA C 86 54.521 54.521 57.617 -3.096 18905 3574 1 6 . 1 1 86 86 LEU CB C 86 39.226 39.226 41.370 -2.144 18905 3575 1 6 . 1 1 86 86 LEU H H 86 8.410 8.410 8.200 0.210 18905 3576 1 6 . 1 1 87 87 GLN N N 87 115.959 115.959 117.543 -1.584 18905 3577 1 6 . 1 1 87 87 GLN HA H 87 4.009 4.009 4.081 -0.072 18905 3578 1 6 . 1 1 87 87 GLN C C 87 174.156 174.156 176.539 -2.383 18905 3579 1 6 . 1 1 87 87 GLN CA C 87 55.735 55.735 57.577 -1.842 18905 3580 1 6 . 1 1 87 87 GLN CB C 87 25.516 25.516 28.787 -3.271 18905 3581 1 6 . 1 1 87 87 GLN H H 87 8.406 8.406 7.532 0.874 18905 3582 1 6 . 1 1 88 88 ALA N N 88 120.044 120.044 121.384 -1.340 18905 3583 1 6 . 1 1 88 88 ALA HA H 88 4.338 4.338 4.536 -0.198 18905 3584 1 6 . 1 1 88 88 ALA C C 88 174.373 174.373 176.073 -1.700 18905 3585 1 6 . 1 1 88 88 ALA CA C 88 48.933 48.933 51.906 -2.973 18905 3586 1 6 . 1 1 88 88 ALA CB C 88 16.681 16.681 19.769 -3.088 18905 3587 1 6 . 1 1 88 88 ALA H H 88 7.110 7.110 7.677 -0.567 18905 3588 1 6 . 1 1 89 89 LEU N N 89 119.696 119.696 115.646 4.050 18905 3589 1 6 . 1 1 89 89 LEU HA H 89 3.929 3.929 4.938 -1.009 18905 3590 1 6 . 1 1 89 89 LEU C C 89 175.387 175.387 174.599 0.788 18905 3591 1 6 . 1 1 89 89 LEU CA C 89 53.364 53.364 54.597 -1.233 18905 3592 1 6 . 1 1 89 89 LEU CB C 89 39.775 39.775 44.196 -4.421 18905 3593 1 6 . 1 1 89 89 LEU H H 89 6.693 6.693 7.401 -0.708 18905 3594 1 6 . 1 1 90 90 HIS N N 90 120.136 120.136 117.786 2.350 18905 3595 1 6 . 1 1 90 90 HIS HA H 90 4.419 4.419 5.007 -0.588 18905 3596 1 6 . 1 1 90 90 HIS CA C 90 50.226 50.226 53.635 -3.409 18905 3597 1 6 . 1 1 90 90 HIS CB C 90 27.853 27.853 31.985 -4.132 18905 3598 1 6 . 1 1 90 90 HIS H H 90 8.299 8.299 8.441 -0.142 18905 3599 1 6 . 1 1 91 91 PRO HA H 91 4.367 4.367 4.821 -0.454 18905 3600 1 6 . 1 1 91 91 PRO CA C 91 60.550 60.550 61.582 -1.032 18905 3601 1 6 . 1 1 91 91 PRO CB C 91 29.416 29.416 31.485 -2.069 18905 3602 1 6 . 1 1 92 92 PRO HA H 92 4.815 4.815 4.376 0.439 18905 3603 1 6 . 1 1 92 92 PRO CA C 92 59.812 59.812 63.877 -4.065 18905 3604 1 6 . 1 1 92 92 PRO CB C 92 30.119 30.119 31.878 -1.759 18905 3605 1 6 . 1 1 93 93 LEU N N 93 121.469 121.469 121.916 -0.447 18905 3606 1 6 . 1 1 93 93 LEU HA H 93 3.954 3.954 4.320 -0.366 18905 3607 1 6 . 1 1 93 93 LEU CA C 93 53.500 53.500 55.688 -2.188 18905 3608 1 6 . 1 1 93 93 LEU CB C 93 39.889 39.889 40.558 -0.669 18905 3609 1 6 . 1 1 93 93 LEU H H 93 8.404 8.404 8.195 0.209 18905 3610 1 6 . 1 1 94 94 THR HA H 94 5.276 5.276 4.529 0.747 18905 3611 1 6 . 1 1 94 94 THR CA C 94 57.077 57.077 61.540 -4.463 18905 3612 1 6 . 1 1 94 94 THR CB C 94 69.076 69.076 69.999 -0.923 18905 3613 1 6 . 1 1 95 95 ILE N N 95 121.239 121.239 126.046 -4.807 18905 3614 1 6 . 1 1 95 95 ILE HA H 95 4.184 4.184 4.203 -0.019 18905 3615 1 6 . 1 1 95 95 ILE CA C 95 58.054 58.054 61.378 -3.324 18905 3616 1 6 . 1 1 95 95 ILE CB C 95 37.534 37.534 38.977 -1.443 18905 3617 1 6 . 1 1 95 95 ILE H H 95 8.317 8.317 8.627 -0.310 18905 3618 1 6 . 1 1 96 96 ASP N N 96 130.909 130.909 125.586 5.323 18905 3619 1 6 . 1 1 96 96 ASP HA H 96 4.292 4.292 4.311 -0.019 18905 3620 1 6 . 1 1 96 96 ASP CA C 96 53.001 53.001 55.353 -2.352 18905 3621 1 6 . 1 1 96 96 ASP CB C 96 37.114 37.114 40.004 -2.889 18905 3622 1 6 . 1 1 96 96 ASP H H 96 9.837 9.837 8.986 0.851 18905 3623 1 6 . 1 1 97 97 GLY N N 97 102.578 102.578 103.365 -0.787 18905 3624 1 6 . 1 1 97 97 GLY C C 97 170.992 170.992 175.116 -4.124 18905 3625 1 6 . 1 1 97 97 GLY CA C 97 42.754 42.754 45.840 -3.087 18905 3626 1 6 . 1 1 97 97 GLY H H 97 8.638 8.638 8.041 0.597 18905 3627 1 6 . 1 1 98 98 LYS N N 98 120.330 120.330 121.725 -1.395 18905 3628 1 6 . 1 1 98 98 LYS HA H 98 4.629 4.629 4.362 0.267 18905 3629 1 6 . 1 1 98 98 LYS C C 98 172.675 172.675 176.134 -3.459 18905 3630 1 6 . 1 1 98 98 LYS CA C 98 50.304 50.304 55.121 -4.817 18905 3631 1 6 . 1 1 98 98 LYS CB C 98 31.136 31.136 30.304 0.832 18905 3632 1 6 . 1 1 98 98 LYS H H 98 7.440 7.440 8.061 -0.621 18905 3633 1 6 . 1 1 99 99 THR N N 99 119.612 119.612 115.236 4.376 18905 3634 1 6 . 1 1 99 99 THR HA H 99 4.356 4.356 4.216 0.140 18905 3635 1 6 . 1 1 99 99 THR C C 99 171.511 171.511 174.579 -3.068 18905 3636 1 6 . 1 1 99 99 THR CA C 99 60.382 60.382 61.661 -1.279 18905 3637 1 6 . 1 1 99 99 THR CB C 99 65.967 65.967 69.578 -3.611 18905 3638 1 6 . 1 1 99 99 THR H H 99 8.626 8.626 7.847 0.779 18905 3639 1 6 . 1 1 100 100 ILE N N 100 129.389 129.389 122.774 6.615 18905 3640 1 6 . 1 1 100 100 ILE HA H 100 4.358 4.358 4.070 0.288 18905 3641 1 6 . 1 1 100 100 ILE C C 100 172.710 172.710 176.420 -3.710 18905 3642 1 6 . 1 1 100 100 ILE CA C 100 55.202 55.202 59.460 -4.258 18905 3643 1 6 . 1 1 100 100 ILE CB C 100 34.925 34.925 37.188 -2.263 18905 3644 1 6 . 1 1 100 100 ILE H H 100 8.463 8.463 8.213 0.250 18905 3645 1 6 . 1 1 101 101 ASN N N 101 123.767 123.767 125.972 -2.205 18905 3646 1 6 . 1 1 101 101 ASN HA H 101 4.904 4.904 4.799 0.105 18905 3647 1 6 . 1 1 101 101 ASN C C 101 170.860 170.860 174.676 -3.816 18905 3648 1 6 . 1 1 101 101 ASN CA C 101 49.884 49.884 53.730 -3.845 18905 3649 1 6 . 1 1 101 101 ASN CB C 101 38.364 38.364 39.705 -1.341 18905 3650 1 6 . 1 1 101 101 ASN H H 101 7.878 7.878 8.094 -0.216 18905 3651 1 6 . 1 1 102 102 VAL N N 102 122.207 122.207 118.775 3.432 18905 3652 1 6 . 1 1 102 102 VAL HA H 102 4.933 4.933 4.202 0.731 18905 3653 1 6 . 1 1 102 102 VAL C C 102 175.222 175.222 174.312 0.910 18905 3654 1 6 . 1 1 102 102 VAL CA C 102 57.981 57.981 62.061 -4.080 18905 3655 1 6 . 1 1 102 102 VAL CB C 102 31.183 31.183 32.922 -1.739 18905 3656 1 6 . 1 1 102 102 VAL H H 102 8.503 8.503 8.365 0.138 18905 3657 1 6 . 1 1 103 103 GLU N N 103 124.079 124.079 126.562 -2.483 18905 3658 1 6 . 1 1 103 103 GLU HA H 103 4.557 4.557 4.291 0.266 18905 3659 1 6 . 1 1 103 103 GLU CA C 103 51.772 51.772 54.703 -2.931 18905 3660 1 6 . 1 1 103 103 GLU CB C 103 31.226 31.226 33.875 -2.649 18905 3661 1 6 . 1 1 103 103 GLU H H 103 8.627 8.627 8.600 0.027 18905 3662 1 6 . 1 1 104 104 PHE N N 104 121.287 121.287 118.560 2.727 18905 3663 1 6 . 1 1 104 104 PHE HA H 104 5.047 5.047 5.449 -0.402 18905 3664 1 6 . 1 1 104 104 PHE C C 104 173.023 173.023 174.574 -1.551 18905 3665 1 6 . 1 1 104 104 PHE CA C 104 55.305 55.305 54.904 0.401 18905 3666 1 6 . 1 1 104 104 PHE CB C 104 38.342 38.342 40.987 -2.645 18905 3667 1 6 . 1 1 104 104 PHE H H 104 8.778 8.778 7.804 0.974 18905 3668 1 6 . 1 1 105 105 ALA N N 105 127.703 127.703 123.292 4.411 18905 3669 1 6 . 1 1 105 105 ALA HA H 105 4.278 4.278 4.710 -0.432 18905 3670 1 6 . 1 1 105 105 ALA C C 105 172.939 172.939 177.408 -4.469 18905 3671 1 6 . 1 1 105 105 ALA CA C 105 48.936 48.936 51.605 -2.669 18905 3672 1 6 . 1 1 105 105 ALA CB C 105 17.822 17.822 19.722 -1.900 18905 3673 1 6 . 1 1 105 105 ALA H H 105 8.630 8.630 9.051 -0.421 18905 3674 1 6 . 1 1 106 106 LYS N N 106 121.259 121.259 119.781 1.478 18905 3675 1 6 . 1 1 106 106 LYS HA H 106 4.211 4.211 4.261 -0.050 18905 3676 1 6 . 1 1 106 106 LYS C C 106 174.939 174.939 176.092 -1.153 18905 3677 1 6 . 1 1 106 106 LYS CA C 106 52.995 52.995 56.265 -3.270 18905 3678 1 6 . 1 1 106 106 LYS CB C 106 30.290 30.290 32.364 -2.074 18905 3679 1 6 . 1 1 106 106 LYS H H 106 8.289 8.289 7.734 0.555 18905 3680 1 6 . 1 1 107 107 GLY N N 107 111.965 111.965 108.807 3.158 18905 3681 1 6 . 1 1 107 107 GLY C C 107 171.215 171.215 173.442 -2.227 18905 3682 1 6 . 1 1 107 107 GLY CA C 107 42.651 42.651 44.962 -2.311 18905 3683 1 6 . 1 1 107 107 GLY H H 107 8.921 8.921 8.462 0.459 18905 3684 1 6 . 1 1 108 108 SER N N 108 114.479 114.479 113.446 1.033 18905 3685 1 6 . 1 1 108 108 SER HA H 108 4.294 4.294 4.836 -0.542 18905 3686 1 6 . 1 1 108 108 SER C C 108 172.040 172.040 172.372 -0.332 18905 3687 1 6 . 1 1 108 108 SER CA C 108 55.336 55.336 57.991 -2.655 18905 3688 1 6 . 1 1 108 108 SER H H 108 8.197 8.197 8.090 0.107 18905 3689 1 6 . 1 1 109 109 LYS N N 109 123.374 123.374 122.913 0.461 18905 3690 1 6 . 1 1 109 109 LYS HA H 109 4.198 4.198 4.528 -0.330 18905 3691 1 6 . 1 1 109 109 LYS C C 109 173.967 173.967 174.517 -0.550 18905 3692 1 6 . 1 1 109 109 LYS CA C 109 53.730 53.730 55.960 -2.230 18905 3693 1 6 . 1 1 109 109 LYS CB C 109 30.137 30.137 34.876 -4.739 18905 3694 1 6 . 1 1 109 109 LYS H H 109 8.306 8.306 8.635 -0.329 18905 3695 1 6 . 1 1 110 110 ARG N N 110 134.189 134.189 121.515 12.674 18905 3696 1 6 . 1 1 110 110 ARG HA H 110 4.542 4.542 4.916 -0.374 18905 3697 1 6 . 1 1 110 110 ARG C C 110 173.119 173.119 174.512 -1.393 18905 3698 1 6 . 1 1 110 110 ARG CA C 110 52.474 52.474 55.193 -2.719 18905 3699 1 6 . 1 1 110 110 ARG CB C 110 32.296 32.296 33.070 -0.774 18905 3700 1 6 . 1 1 111 111 ASP N N 111 123.210 123.210 120.952 2.258 18905 3701 1 6 . 1 1 111 111 ASP HA H 111 4.519 4.519 5.007 -0.488 18905 3702 1 6 . 1 1 111 111 ASP C C 111 174.187 174.187 174.397 -0.210 18905 3703 1 6 . 1 1 111 111 ASP CA C 111 52.307 52.307 53.489 -1.182 18905 3704 1 6 . 1 1 111 111 ASP CB C 111 40.206 40.206 44.297 -4.091 18905 3705 1 6 . 1 1 111 111 ASP H H 111 8.523 8.523 8.565 -0.042 18905 3706 1 6 . 1 1 112 112 MET HA H 112 4.330 4.330 4.631 -0.301 18905 3707 1 6 . 1 1 112 112 MET CA C 112 53.074 53.074 54.735 -1.661 18905 3708 1 6 . 1 1 112 112 MET CB C 112 30.057 30.057 34.389 -4.332 18905 3709 1 6 . 1 1 113 113 ALA N N 113 124.061 124.061 124.479 -0.418 18905 3710 1 6 . 1 1 113 113 ALA HA H 113 4.229 4.229 4.849 -0.620 18905 3711 1 6 . 1 1 113 113 ALA C C 113 175.243 175.243 175.836 -0.593 18905 3712 1 6 . 1 1 113 113 ALA CA C 113 49.967 49.967 51.514 -1.547 18905 3713 1 6 . 1 1 113 113 ALA CB C 113 16.436 16.436 20.745 -4.309 18905 3714 1 6 . 1 1 113 113 ALA H H 113 8.214 8.214 8.294 -0.080 18905 3715 1 6 . 1 1 114 114 SER N N 114 114.286 114.286 114.434 -0.148 18905 3716 1 6 . 1 1 114 114 SER HA H 114 4.376 4.376 4.708 -0.332 18905 3717 1 6 . 1 1 114 114 SER CA C 114 55.596 55.596 58.152 -2.556 18905 3718 1 6 . 1 1 114 114 SER CB C 114 61.009 61.009 64.010 -3.001 18905 3719 1 6 . 1 1 114 114 SER H H 114 8.124 8.124 8.434 -0.310 18905 3720 1 6 . 1 1 119 119 ARG N N 119 122.813 122.813 119.443 3.370 18905 3721 1 6 . 1 1 119 119 ARG HA H 119 4.294 4.294 4.505 -0.211 18905 3722 1 6 . 1 1 119 119 ARG C C 119 173.654 173.654 175.334 -1.680 18905 3723 1 6 . 1 1 119 119 ARG CA C 119 53.701 53.701 55.929 -2.228 18905 3724 1 6 . 1 1 119 119 ARG CB C 119 28.140 28.140 29.789 -1.649 18905 3725 1 6 . 1 1 119 119 ARG H H 119 8.246 8.246 8.459 -0.213 18905 3726 1 6 . 1 1 120 120 ILE N N 120 121.624 121.624 117.086 4.538 18905 3727 1 6 . 1 1 120 120 ILE HA H 120 4.099 4.099 4.712 -0.613 18905 3728 1 6 . 1 1 120 120 ILE C C 120 173.651 173.651 175.079 -1.428 18905 3729 1 6 . 1 1 120 120 ILE CA C 120 58.593 58.593 60.000 -1.407 18905 3730 1 6 . 1 1 120 120 ILE CB C 120 36.091 36.091 40.590 -4.498 18905 3731 1 6 . 1 1 120 120 ILE H H 120 8.084 8.084 8.050 0.034 18905 3732 1 6 . 1 1 121 121 SER N N 121 119.953 119.953 116.602 3.351 18905 3733 1 6 . 1 1 121 121 SER HA H 121 4.378 4.378 4.752 -0.374 18905 3734 1 6 . 1 1 121 121 SER C C 121 170.780 170.780 174.184 -3.404 18905 3735 1 6 . 1 1 121 121 SER CA C 121 55.506 55.506 57.574 -2.068 18905 3736 1 6 . 1 1 121 121 SER CB C 121 61.571 61.571 63.750 -2.179 18905 3737 1 6 . 1 1 121 121 SER H H 121 8.300 8.300 8.404 -0.104 18905 3738 1 6 . 1 1 123 123 ALA N N 123 119.892 119.892 122.271 -2.379 18905 3739 1 6 . 1 1 123 123 ALA HA H 123 4.102 4.102 4.415 -0.313 18905 3740 1 6 . 1 1 123 123 ALA CA C 123 58.473 58.473 52.389 6.084 18905 3741 1 6 . 1 1 123 123 ALA H H 123 8.305 8.305 8.358 -0.053 18905 3742 1 6 . 1 1 124 124 SER N N 124 122.264 122.264 114.640 7.624 18905 3743 1 6 . 1 1 124 124 SER HA H 124 4.384 4.384 4.812 -0.428 18905 3744 1 6 . 1 1 124 124 SER CA C 124 55.632 55.632 57.990 -2.358 18905 3745 1 6 . 1 1 124 124 SER CB C 124 60.925 60.925 64.717 -3.792 18905 3746 1 6 . 1 1 124 124 SER H H 124 8.353 8.353 8.089 0.264 18905 3747 1 6 . 1 1 125 125 VAL N N 125 121.433 121.433 119.887 1.546 18905 3748 1 6 . 1 1 125 125 VAL HA H 125 4.073 4.073 4.297 -0.224 18905 3749 1 6 . 1 1 125 125 VAL C C 125 173.240 173.240 174.884 -1.644 18905 3750 1 6 . 1 1 125 125 VAL CA C 125 59.588 59.588 62.171 -2.583 18905 3751 1 6 . 1 1 125 125 VAL CB C 125 30.198 30.198 34.303 -4.105 18905 3752 1 6 . 1 1 125 125 VAL H H 125 8.014 8.014 8.230 -0.216 18905 3753 1 6 . 1 1 126 126 ALA N N 126 127.185 127.185 127.313 -0.128 18905 3754 1 6 . 1 1 126 126 ALA HA H 126 4.278 4.278 4.841 -0.563 18905 3755 1 6 . 1 1 126 126 ALA C C 126 175.118 175.118 176.337 -1.219 18905 3756 1 6 . 1 1 126 126 ALA CA C 126 49.919 49.919 51.760 -1.841 18905 3757 1 6 . 1 1 126 126 ALA CB C 126 16.532 16.532 19.218 -2.686 18905 3758 1 6 . 1 1 126 126 ALA H H 126 8.277 8.277 8.625 -0.348 18905 3759 1 6 . 1 1 127 127 SER N N 127 115.148 115.148 115.207 -0.059 18905 3760 1 6 . 1 1 127 127 SER HA H 127 4.420 4.420 4.800 -0.380 18905 3761 1 6 . 1 1 127 127 SER C C 127 172.168 172.168 174.058 -1.890 18905 3762 1 6 . 1 1 127 127 SER CA C 127 55.770 55.770 58.407 -2.637 18905 3763 1 6 . 1 1 127 127 SER CB C 127 58.992 58.992 63.813 -4.821 18905 3764 1 6 . 1 1 127 127 SER H H 127 8.249 8.249 8.473 -0.224 18905 3765 1 6 . 1 1 128 128 THR N N 128 115.498 115.498 114.483 1.015 18905 3766 1 6 . 1 1 128 128 THR C C 128 171.392 171.392 172.669 -1.277 18905 3767 1 6 . 1 1 128 128 THR CA C 128 59.083 59.083 60.830 -1.747 18905 3768 1 6 . 1 1 128 128 THR H H 128 8.050 8.050 8.285 -0.235 18905 3769 1 6 . 1 1 129 129 ALA N N 129 126.543 126.543 123.648 2.895 18905 3770 1 6 . 1 1 129 129 ALA HA H 129 4.236 4.236 5.018 -0.782 18905 3771 1 6 . 1 1 129 129 ALA C C 129 174.650 174.650 175.631 -0.981 18905 3772 1 6 . 1 1 129 129 ALA CA C 129 49.794 49.794 51.423 -1.629 18905 3773 1 6 . 1 1 129 129 ALA CB C 129 16.538 16.538 20.222 -3.684 18905 3774 1 6 . 1 1 129 129 ALA H H 129 8.160 8.160 8.500 -0.340 18905 3775 1 6 . 1 1 130 130 ILE N N 130 120.371 120.371 119.964 0.407 18905 3776 1 6 . 1 1 130 130 ILE HA H 130 4.099 4.099 4.140 -0.041 18905 3777 1 6 . 1 1 130 130 ILE C C 130 173.651 173.651 175.943 -2.292 18905 3778 1 6 . 1 1 130 130 ILE CA C 130 58.513 58.513 61.762 -3.249 18905 3779 1 6 . 1 1 130 130 ILE CB C 130 36.091 36.091 38.355 -2.264 18905 3780 1 6 . 1 1 130 130 ILE H H 130 8.043 8.043 8.231 -0.188 18905 3781 1 7 . 1 1 4 4 GLY N N 4 110.117 110.117 111.529 -1.412 18905 3782 1 7 . 1 1 4 4 GLY C C 4 171.413 171.413 173.048 -1.635 18905 3783 1 7 . 1 1 4 4 GLY CA C 4 42.667 42.667 44.865 -2.198 18905 3784 1 7 . 1 1 4 4 GLY H H 4 8.391 8.391 8.290 0.101 18905 3785 1 7 . 1 1 5 5 VAL N N 5 119.501 119.501 122.810 -3.309 18905 3786 1 7 . 1 1 5 5 VAL HA H 5 4.018 4.018 4.028 -0.010 18905 3787 1 7 . 1 1 5 5 VAL C C 5 173.738 173.738 175.706 -1.968 18905 3788 1 7 . 1 1 5 5 VAL CA C 5 59.923 59.923 62.818 -2.895 18905 3789 1 7 . 1 1 5 5 VAL CB C 5 30.111 30.111 31.898 -1.787 18905 3790 1 7 . 1 1 5 5 VAL H H 5 7.951 7.951 8.053 -0.102 18905 3791 1 7 . 1 1 6 6 LEU N N 6 125.484 125.484 128.315 -2.831 18905 3792 1 7 . 1 1 6 6 LEU HA H 6 4.280 4.280 4.589 -0.309 18905 3793 1 7 . 1 1 6 6 LEU C C 6 174.708 174.708 176.530 -1.822 18905 3794 1 7 . 1 1 6 6 LEU CA C 6 52.535 52.535 55.101 -2.566 18905 3795 1 7 . 1 1 6 6 LEU CB C 6 39.586 39.586 43.238 -3.652 18905 3796 1 7 . 1 1 6 6 LEU H H 6 8.248 8.248 8.238 0.010 18905 3797 1 7 . 1 1 7 7 ALA N N 7 124.939 124.939 128.406 -3.467 18905 3798 1 7 . 1 1 7 7 ALA HA H 7 4.234 4.234 4.364 -0.130 18905 3799 1 7 . 1 1 7 7 ALA C C 7 174.865 174.865 176.870 -2.005 18905 3800 1 7 . 1 1 7 7 ALA CA C 7 50.136 50.136 52.586 -2.450 18905 3801 1 7 . 1 1 7 7 ALA CB C 7 16.500 16.500 19.427 -2.928 18905 3802 1 7 . 1 1 7 7 ALA H H 7 8.241 8.241 8.283 -0.042 18905 3803 1 7 . 1 1 8 8 SER N N 8 117.901 117.901 115.128 2.773 18905 3804 1 7 . 1 1 8 8 SER HA H 8 4.377 4.377 4.749 -0.372 18905 3805 1 7 . 1 1 8 8 SER C C 8 172.221 172.221 172.884 -0.663 18905 3806 1 7 . 1 1 8 8 SER CA C 8 56.008 56.008 57.950 -1.942 18905 3807 1 7 . 1 1 8 8 SER CB C 8 61.008 61.008 63.964 -2.956 18905 3808 1 7 . 1 1 8 8 SER H H 8 8.347 8.347 8.543 -0.196 18905 3809 1 7 . 1 1 9 9 GLN N N 9 122.019 122.019 120.409 1.610 18905 3810 1 7 . 1 1 9 9 GLN HA H 9 4.302 4.302 4.829 -0.527 18905 3811 1 7 . 1 1 9 9 GLN C C 9 173.160 173.160 174.129 -0.969 18905 3812 1 7 . 1 1 9 9 GLN CA C 9 53.470 53.470 55.200 -1.730 18905 3813 1 7 . 1 1 9 9 GLN CB C 9 26.663 26.663 31.176 -4.513 18905 3814 1 7 . 1 1 9 9 GLN H H 9 8.240 8.240 8.634 -0.394 18905 3815 1 7 . 1 1 10 10 ALA N N 10 124.490 124.490 122.859 1.631 18905 3816 1 7 . 1 1 10 10 ALA HA H 10 4.238 4.238 4.742 -0.504 18905 3817 1 7 . 1 1 10 10 ALA C C 10 175.142 175.142 176.571 -1.429 18905 3818 1 7 . 1 1 10 10 ALA CA C 10 50.121 50.121 51.432 -1.311 18905 3819 1 7 . 1 1 10 10 ALA CB C 10 16.322 16.322 21.211 -4.889 18905 3820 1 7 . 1 1 10 10 ALA H H 10 8.132 8.132 8.337 -0.205 18905 3821 1 7 . 1 1 11 11 LEU N N 11 120.785 120.785 122.475 -1.690 18905 3822 1 7 . 1 1 11 11 LEU HA H 11 4.278 4.278 4.612 -0.334 18905 3823 1 7 . 1 1 11 11 LEU C C 11 174.929 174.929 176.871 -1.942 18905 3824 1 7 . 1 1 11 11 LEU CA C 11 52.612 52.612 54.453 -1.841 18905 3825 1 7 . 1 1 11 11 LEU CB C 11 39.647 39.647 42.747 -3.100 18905 3826 1 7 . 1 1 11 11 LEU H H 11 8.088 8.088 8.618 -0.530 18905 3827 1 7 . 1 1 12 12 SER N N 12 116.121 116.121 118.417 -2.296 18905 3828 1 7 . 1 1 12 12 SER C C 12 171.977 171.977 174.261 -2.284 18905 3829 1 7 . 1 1 12 12 SER CA C 12 55.621 55.621 58.542 -2.921 18905 3830 1 7 . 1 1 12 12 SER CB C 12 56.041 56.041 63.952 -7.911 18905 3831 1 7 . 1 1 12 12 SER H H 12 8.170 8.170 8.304 -0.134 18905 3832 1 7 . 1 1 13 13 GLN N N 13 122.139 122.139 121.849 0.290 18905 3833 1 7 . 1 1 13 13 GLN HA H 13 4.312 4.312 4.433 -0.121 18905 3834 1 7 . 1 1 13 13 GLN CA C 13 54.059 54.059 54.923 -0.864 18905 3835 1 7 . 1 1 13 13 GLN H H 13 8.368 8.368 8.457 -0.089 18905 3836 1 7 . 1 1 14 14 GLY N N 14 109.259 109.259 109.438 -0.179 18905 3837 1 7 . 1 1 14 14 GLY CA C 14 42.970 42.970 45.678 -2.708 18905 3838 1 7 . 1 1 14 14 GLY H H 14 8.378 8.378 8.387 -0.009 18905 3839 1 7 . 1 1 15 15 SER N N 15 115.486 115.486 113.537 1.949 18905 3840 1 7 . 1 1 15 15 SER HA H 15 4.378 4.378 4.563 -0.185 18905 3841 1 7 . 1 1 15 15 SER CA C 15 55.853 55.853 58.164 -2.311 18905 3842 1 7 . 1 1 15 15 SER CB C 15 59.406 59.406 63.548 -4.142 18905 3843 1 7 . 1 1 15 15 SER H H 15 8.085 8.085 7.891 0.194 18905 3844 1 7 . 1 1 16 16 GLU N N 16 120.501 120.501 123.245 -2.744 18905 3845 1 7 . 1 1 16 16 GLU HA H 16 4.664 4.664 4.739 -0.075 18905 3846 1 7 . 1 1 16 16 GLU CA C 16 50.628 50.628 53.932 -3.304 18905 3847 1 7 . 1 1 16 16 GLU CB C 16 36.442 36.442 31.122 5.320 18905 3848 1 7 . 1 1 16 16 GLU H H 16 8.376 8.376 8.497 -0.121 18905 3849 1 7 . 1 1 17 17 PRO CA C 17 65.700 65.700 62.971 2.729 18905 3850 1 7 . 1 1 22 22 ALA N N 22 124.130 124.130 123.298 0.832 18905 3851 1 7 . 1 1 22 22 ALA HA H 22 4.178 4.178 4.657 -0.479 18905 3852 1 7 . 1 1 22 22 ALA CA C 22 49.746 49.746 52.339 -2.593 18905 3853 1 7 . 1 1 22 22 ALA CB C 22 16.789 16.789 18.446 -1.657 18905 3854 1 7 . 1 1 22 22 ALA H H 22 8.096 8.096 8.564 -0.468 18905 3855 1 7 . 1 1 23 23 ASN N N 23 117.516 117.516 119.315 -1.799 18905 3856 1 7 . 1 1 23 23 ASN HA H 23 4.672 4.672 4.845 -0.173 18905 3857 1 7 . 1 1 23 23 ASN C C 23 171.179 171.179 172.732 -1.553 18905 3858 1 7 . 1 1 23 23 ASN CA C 23 50.084 50.084 52.222 -2.138 18905 3859 1 7 . 1 1 23 23 ASN CB C 23 36.737 36.737 40.786 -4.049 18905 3860 1 7 . 1 1 23 23 ASN H H 23 8.037 8.037 8.207 -0.170 18905 3861 1 7 . 1 1 24 24 ASP N N 24 118.387 118.387 119.528 -1.141 18905 3862 1 7 . 1 1 24 24 ASP HA H 24 4.676 4.676 5.000 -0.324 18905 3863 1 7 . 1 1 24 24 ASP CA C 24 50.660 50.660 53.450 -2.790 18905 3864 1 7 . 1 1 24 24 ASP CB C 24 40.670 40.670 41.483 -0.813 18905 3865 1 7 . 1 1 24 24 ASP H H 24 8.198 8.198 8.607 -0.409 18905 3866 1 7 . 1 1 25 25 THR N N 25 114.224 114.224 116.806 -2.582 18905 3867 1 7 . 1 1 25 25 THR HA H 25 5.275 5.275 4.928 0.347 18905 3868 1 7 . 1 1 25 25 THR CA C 25 59.162 59.162 61.697 -2.535 18905 3869 1 7 . 1 1 25 25 THR CB C 25 68.849 68.849 72.094 -3.244 18905 3870 1 7 . 1 1 25 25 THR H H 25 8.090 8.090 8.537 -0.447 18905 3871 1 7 . 1 1 26 26 ILE N N 26 126.637 126.637 124.181 2.456 18905 3872 1 7 . 1 1 26 26 ILE HA H 26 4.650 4.650 3.864 0.786 18905 3873 1 7 . 1 1 26 26 ILE C C 26 171.500 171.500 174.254 -2.754 18905 3874 1 7 . 1 1 26 26 ILE CA C 26 56.930 56.930 61.127 -4.197 18905 3875 1 7 . 1 1 26 26 ILE CB C 26 38.159 38.159 39.860 -1.701 18905 3876 1 7 . 1 1 26 26 ILE H H 26 9.314 9.314 8.401 0.913 18905 3877 1 7 . 1 1 27 27 ILE N N 27 126.764 126.764 123.459 3.305 18905 3878 1 7 . 1 1 27 27 ILE HA H 27 4.955 4.955 4.818 0.137 18905 3879 1 7 . 1 1 27 27 ILE C C 27 171.462 171.462 173.792 -2.330 18905 3880 1 7 . 1 1 27 27 ILE CA C 27 56.909 56.909 59.425 -2.516 18905 3881 1 7 . 1 1 27 27 ILE CB C 27 38.397 38.397 42.260 -3.863 18905 3882 1 7 . 1 1 27 27 ILE H H 27 9.280 9.280 7.662 1.618 18905 3883 1 7 . 1 1 28 28 LEU N N 28 125.666 125.666 128.634 -2.968 18905 3884 1 7 . 1 1 28 28 LEU HA H 28 4.858 4.858 4.628 0.230 18905 3885 1 7 . 1 1 28 28 LEU C C 28 172.714 172.714 176.520 -3.806 18905 3886 1 7 . 1 1 28 28 LEU CA C 28 50.153 50.153 53.662 -3.509 18905 3887 1 7 . 1 1 28 28 LEU CB C 28 39.943 39.943 41.286 -1.343 18905 3888 1 7 . 1 1 28 28 LEU H H 28 8.791 8.791 8.679 0.112 18905 3889 1 7 . 1 1 29 29 ARG N N 29 119.656 119.656 120.679 -1.023 18905 3890 1 7 . 1 1 29 29 ARG HA H 29 5.023 5.023 4.704 0.319 18905 3891 1 7 . 1 1 29 29 ARG C C 29 172.927 172.927 176.262 -3.335 18905 3892 1 7 . 1 1 29 29 ARG CA C 29 51.933 51.933 54.470 -2.537 18905 3893 1 7 . 1 1 29 29 ARG CB C 29 31.298 31.298 33.477 -2.179 18905 3894 1 7 . 1 1 29 29 ARG H H 29 8.742 8.742 8.362 0.380 18905 3895 1 7 . 1 1 30 30 ASN N N 30 115.104 115.104 116.944 -1.840 18905 3896 1 7 . 1 1 30 30 ASN HA H 30 4.319 4.319 4.360 -0.041 18905 3897 1 7 . 1 1 30 30 ASN C C 30 172.025 172.025 173.324 -1.299 18905 3898 1 7 . 1 1 30 30 ASN CA C 30 51.550 51.550 53.928 -2.378 18905 3899 1 7 . 1 1 30 30 ASN CB C 30 35.656 35.656 37.840 -2.184 18905 3900 1 7 . 1 1 30 30 ASN H H 30 8.292 8.292 8.954 -0.662 18905 3901 1 7 . 1 1 31 31 LEU N N 31 113.394 113.394 117.113 -3.719 18905 3902 1 7 . 1 1 31 31 LEU HA H 31 3.915 3.915 4.445 -0.530 18905 3903 1 7 . 1 1 31 31 LEU C C 31 175.815 175.815 177.200 -1.385 18905 3904 1 7 . 1 1 31 31 LEU CA C 31 52.148 52.148 54.517 -2.369 18905 3905 1 7 . 1 1 31 31 LEU CB C 31 39.876 39.876 43.629 -3.752 18905 3906 1 7 . 1 1 31 31 LEU H H 31 7.602 7.602 7.936 -0.334 18905 3907 1 7 . 1 1 32 32 ASN N N 32 123.357 123.357 119.687 3.670 18905 3908 1 7 . 1 1 32 32 ASN HA H 32 4.476 4.476 5.117 -0.641 18905 3909 1 7 . 1 1 32 32 ASN CA C 32 48.784 48.784 50.955 -2.171 18905 3910 1 7 . 1 1 32 32 ASN CB C 32 36.284 36.284 39.253 -2.969 18905 3911 1 7 . 1 1 32 32 ASN H H 32 9.816 9.816 8.107 1.709 18905 3912 1 7 . 1 1 33 33 PRO HA H 33 4.339 4.339 4.387 -0.048 18905 3913 1 7 . 1 1 33 33 PRO CA C 33 61.514 61.514 64.891 -3.377 18905 3914 1 7 . 1 1 33 33 PRO CB C 33 30.320 30.320 32.120 -1.800 18905 3915 1 7 . 1 1 34 34 HIS N N 34 111.187 111.187 114.123 -2.936 18905 3916 1 7 . 1 1 34 34 HIS HA H 34 4.402 4.402 4.664 -0.262 18905 3917 1 7 . 1 1 34 34 HIS CA C 34 53.125 53.125 55.510 -2.385 18905 3918 1 7 . 1 1 34 34 HIS CB C 34 25.760 25.760 29.970 -4.210 18905 3919 1 7 . 1 1 34 34 HIS H H 34 8.856 8.856 8.226 0.630 18905 3920 1 7 . 1 1 35 35 SER N N 35 118.219 118.219 115.714 2.505 18905 3921 1 7 . 1 1 35 35 SER HA H 35 4.718 4.718 4.378 0.340 18905 3922 1 7 . 1 1 35 35 SER CB C 35 60.222 60.222 64.200 -3.978 18905 3923 1 7 . 1 1 35 35 SER H H 35 8.262 8.262 7.755 0.507 18905 3924 1 7 . 1 1 36 36 THR N N 36 114.157 114.157 112.019 2.138 18905 3925 1 7 . 1 1 36 36 THR HA H 36 4.545 4.545 4.785 -0.240 18905 3926 1 7 . 1 1 36 36 THR CA C 36 56.508 56.508 60.257 -3.749 18905 3927 1 7 . 1 1 36 36 THR CB C 36 70.051 70.051 71.125 -1.074 18905 3928 1 7 . 1 1 36 36 THR H H 36 8.451 8.451 8.208 0.243 18905 3929 1 7 . 1 1 37 37 MET N N 37 119.815 119.815 121.718 -1.903 18905 3930 1 7 . 1 1 37 37 MET HA H 37 3.943 3.943 4.043 -0.100 18905 3931 1 7 . 1 1 37 37 MET CA C 37 56.204 56.204 59.960 -3.756 18905 3932 1 7 . 1 1 37 37 MET CB C 37 28.959 28.959 32.478 -3.519 18905 3933 1 7 . 1 1 37 37 MET H H 37 8.928 8.928 8.851 0.077 18905 3934 1 7 . 1 1 38 38 ASP N N 38 115.357 115.357 117.760 -2.403 18905 3935 1 7 . 1 1 38 38 ASP HA H 38 4.301 4.301 4.454 -0.153 18905 3936 1 7 . 1 1 38 38 ASP CA C 38 54.750 54.750 57.260 -2.510 18905 3937 1 7 . 1 1 38 38 ASP CB C 38 37.934 37.934 39.653 -1.719 18905 3938 1 7 . 1 1 38 38 ASP H H 38 8.096 8.096 8.871 -0.775 18905 3939 1 7 . 1 1 39 39 SER N N 39 118.933 118.933 116.306 2.627 18905 3940 1 7 . 1 1 39 39 SER HA H 39 4.253 4.253 4.198 0.055 18905 3941 1 7 . 1 1 39 39 SER C C 39 174.818 174.818 176.087 -1.269 18905 3942 1 7 . 1 1 39 39 SER CA C 39 58.767 58.767 61.449 -2.682 18905 3943 1 7 . 1 1 39 39 SER CB C 39 61.631 61.631 63.022 -1.391 18905 3944 1 7 . 1 1 39 39 SER H H 39 8.088 8.088 7.631 0.457 18905 3945 1 7 . 1 1 40 40 ILE N N 40 124.376 124.376 121.489 2.887 18905 3946 1 7 . 1 1 40 40 ILE HA H 40 3.538 3.538 3.929 -0.391 18905 3947 1 7 . 1 1 40 40 ILE C C 40 174.358 174.358 177.266 -2.908 18905 3948 1 7 . 1 1 40 40 ILE CA C 40 62.936 62.936 64.217 -1.281 18905 3949 1 7 . 1 1 40 40 ILE CB C 40 35.725 35.725 38.353 -2.628 18905 3950 1 7 . 1 1 40 40 ILE H H 40 8.009 8.009 7.747 0.262 18905 3951 1 7 . 1 1 41 41 LEU N N 41 117.914 117.914 120.453 -2.539 18905 3952 1 7 . 1 1 41 41 LEU HA H 41 3.818 3.818 3.949 -0.131 18905 3953 1 7 . 1 1 41 41 LEU C C 41 178.292 178.292 179.016 -0.724 18905 3954 1 7 . 1 1 41 41 LEU CA C 41 55.496 55.496 58.863 -3.367 18905 3955 1 7 . 1 1 41 41 LEU CB C 41 38.574 38.574 41.512 -2.938 18905 3956 1 7 . 1 1 41 41 LEU H H 41 8.574 8.574 7.635 0.939 18905 3957 1 7 . 1 1 42 42 GLY N N 42 105.053 105.053 103.115 1.938 18905 3958 1 7 . 1 1 42 42 GLY C C 42 173.318 173.318 174.114 -0.796 18905 3959 1 7 . 1 1 42 42 GLY CA C 42 44.283 44.283 45.902 -1.619 18905 3960 1 7 . 1 1 42 42 GLY H H 42 8.207 8.207 8.229 -0.022 18905 3961 1 7 . 1 1 43 43 ALA N N 43 122.411 122.411 121.776 0.635 18905 3962 1 7 . 1 1 43 43 ALA HA H 43 4.245 4.245 4.506 -0.261 18905 3963 1 7 . 1 1 43 43 ALA C C 43 176.200 176.200 177.443 -1.243 18905 3964 1 7 . 1 1 43 43 ALA CA C 43 51.148 51.148 53.165 -2.017 18905 3965 1 7 . 1 1 43 43 ALA CB C 43 17.381 17.381 20.180 -2.799 18905 3966 1 7 . 1 1 43 43 ALA H H 43 7.571 7.571 7.586 -0.015 18905 3967 1 7 . 1 1 44 44 LEU N N 44 113.121 113.121 118.732 -5.611 18905 3968 1 7 . 1 1 44 44 LEU HA H 44 4.514 4.514 4.739 -0.225 18905 3969 1 7 . 1 1 44 44 LEU C C 44 174.187 174.187 179.093 -4.906 18905 3970 1 7 . 1 1 44 44 LEU CA C 44 52.247 52.247 54.358 -2.111 18905 3971 1 7 . 1 1 44 44 LEU CB C 44 40.210 40.210 41.000 -0.790 18905 3972 1 7 . 1 1 44 44 LEU H H 44 7.533 7.533 7.805 -0.272 18905 3973 1 7 . 1 1 45 45 ALA N N 45 123.574 123.574 124.512 -0.938 18905 3974 1 7 . 1 1 45 45 ALA HA H 45 4.313 4.313 4.146 0.167 18905 3975 1 7 . 1 1 45 45 ALA CA C 45 53.187 53.187 56.298 -3.111 18905 3976 1 7 . 1 1 45 45 ALA CB C 45 14.134 14.134 16.562 -2.428 18905 3977 1 7 . 1 1 45 45 ALA H H 45 7.398 7.398 8.510 -1.112 18905 3978 1 7 . 1 1 46 46 PRO HA H 46 4.043 4.043 4.149 -0.106 18905 3979 1 7 . 1 1 46 46 PRO CA C 46 61.784 61.784 64.544 -2.760 18905 3980 1 7 . 1 1 46 46 PRO CB C 46 27.999 27.999 31.053 -3.054 18905 3981 1 7 . 1 1 47 47 TYR N N 47 114.404 114.404 116.939 -2.535 18905 3982 1 7 . 1 1 47 47 TYR HA H 47 4.527 4.527 4.737 -0.210 18905 3983 1 7 . 1 1 47 47 TYR CA C 47 54.406 54.406 56.434 -2.028 18905 3984 1 7 . 1 1 47 47 TYR CB C 47 37.537 37.537 39.165 -1.628 18905 3985 1 7 . 1 1 47 47 TYR H H 47 7.897 7.897 7.682 0.215 18905 3986 1 7 . 1 1 48 48 ALA N N 48 119.845 119.845 122.810 -2.965 18905 3987 1 7 . 1 1 48 48 ALA HA H 48 4.360 4.360 4.636 -0.276 18905 3988 1 7 . 1 1 48 48 ALA C C 48 171.938 171.938 175.839 -3.901 18905 3989 1 7 . 1 1 48 48 ALA CA C 48 49.129 49.129 51.486 -2.357 18905 3990 1 7 . 1 1 48 48 ALA CB C 48 19.614 19.614 21.359 -1.745 18905 3991 1 7 . 1 1 48 48 ALA H H 48 8.083 8.083 7.381 0.702 18905 3992 1 7 . 1 1 49 49 VAL N N 49 122.528 122.528 126.597 -4.069 18905 3993 1 7 . 1 1 49 49 VAL HA H 49 3.904 3.904 4.082 -0.178 18905 3994 1 7 . 1 1 49 49 VAL C C 49 172.490 172.490 174.792 -2.302 18905 3995 1 7 . 1 1 49 49 VAL CA C 49 60.373 60.373 63.277 -2.904 18905 3996 1 7 . 1 1 49 49 VAL CB C 49 28.257 28.257 31.114 -2.857 18905 3997 1 7 . 1 1 49 49 VAL H H 49 8.414 8.414 8.738 -0.324 18905 3998 1 7 . 1 1 50 50 LEU N N 50 127.924 127.924 124.183 3.741 18905 3999 1 7 . 1 1 50 50 LEU HA H 50 4.650 4.650 4.912 -0.262 18905 4000 1 7 . 1 1 50 50 LEU C C 50 172.488 172.488 175.702 -3.214 18905 4001 1 7 . 1 1 50 50 LEU CA C 50 50.523 50.523 53.217 -2.694 18905 4002 1 7 . 1 1 50 50 LEU CB C 50 42.647 42.647 44.601 -1.954 18905 4003 1 7 . 1 1 50 50 LEU H H 50 7.904 7.904 7.947 -0.043 18905 4004 1 7 . 1 1 51 51 SER N N 51 114.999 114.999 112.844 2.155 18905 4005 1 7 . 1 1 51 51 SER HA H 51 4.783 4.783 4.782 0.001 18905 4006 1 7 . 1 1 51 51 SER C C 51 172.827 172.827 174.880 -2.053 18905 4007 1 7 . 1 1 51 51 SER CA C 51 53.708 53.708 57.388 -3.680 18905 4008 1 7 . 1 1 51 51 SER CB C 51 63.424 63.424 65.959 -2.535 18905 4009 1 7 . 1 1 51 51 SER H H 51 8.623 8.623 8.221 0.402 18905 4010 1 7 . 1 1 52 52 SER N N 52 118.355 118.355 116.419 1.936 18905 4011 1 7 . 1 1 52 52 SER HA H 52 4.301 4.301 4.275 0.026 18905 4012 1 7 . 1 1 52 52 SER C C 52 173.242 173.242 175.752 -2.510 18905 4013 1 7 . 1 1 52 52 SER CA C 52 58.709 58.709 60.665 -1.956 18905 4014 1 7 . 1 1 52 52 SER CB C 52 59.826 59.826 63.252 -3.426 18905 4015 1 7 . 1 1 52 52 SER H H 52 9.117 9.117 8.642 0.475 18905 4016 1 7 . 1 1 53 53 SER N N 53 114.926 114.926 117.196 -2.270 18905 4017 1 7 . 1 1 53 53 SER HA H 53 4.292 4.292 4.240 0.052 18905 4018 1 7 . 1 1 53 53 SER CA C 53 57.882 57.882 60.487 -2.605 18905 4019 1 7 . 1 1 53 53 SER CB C 53 60.220 60.220 63.235 -3.015 18905 4020 1 7 . 1 1 53 53 SER H H 53 8.014 8.014 8.247 -0.233 18905 4021 1 7 . 1 1 54 54 ASN N N 54 116.432 116.432 120.142 -3.710 18905 4022 1 7 . 1 1 54 54 ASN HA H 54 4.914 4.914 4.541 0.373 18905 4023 1 7 . 1 1 54 54 ASN C C 54 170.744 170.744 175.495 -4.751 18905 4024 1 7 . 1 1 54 54 ASN CA C 54 52.054 52.054 55.722 -3.668 18905 4025 1 7 . 1 1 54 54 ASN CB C 54 38.952 38.952 38.931 0.021 18905 4026 1 7 . 1 1 54 54 ASN H H 54 7.996 7.996 7.760 0.236 18905 4027 1 7 . 1 1 55 55 VAL N N 55 118.877 118.877 120.693 -1.816 18905 4028 1 7 . 1 1 55 55 VAL HA H 55 4.891 4.891 4.233 0.658 18905 4029 1 7 . 1 1 55 55 VAL C C 55 171.238 171.238 175.274 -4.036 18905 4030 1 7 . 1 1 55 55 VAL CA C 55 58.709 58.709 62.737 -4.028 18905 4031 1 7 . 1 1 55 55 VAL CB C 55 31.652 31.652 30.739 0.913 18905 4032 1 7 . 1 1 55 55 VAL H H 55 7.421 7.421 7.323 0.098 18905 4033 1 7 . 1 1 56 56 ARG N N 56 125.757 125.757 128.980 -3.223 18905 4034 1 7 . 1 1 56 56 ARG HA H 56 4.708 4.708 4.435 0.273 18905 4035 1 7 . 1 1 56 56 ARG C C 56 172.321 172.321 175.230 -2.909 18905 4036 1 7 . 1 1 56 56 ARG CA C 56 51.878 51.878 54.538 -2.659 18905 4037 1 7 . 1 1 56 56 ARG CB C 56 30.211 30.211 29.731 0.480 18905 4038 1 7 . 1 1 56 56 ARG H H 56 9.011 9.011 8.388 0.623 18905 4039 1 7 . 1 1 57 57 VAL N N 57 125.646 125.646 127.372 -1.726 18905 4040 1 7 . 1 1 57 57 VAL HA H 57 3.878 3.878 3.981 -0.103 18905 4041 1 7 . 1 1 57 57 VAL C C 57 172.129 172.129 174.900 -2.771 18905 4042 1 7 . 1 1 57 57 VAL CA C 57 59.043 59.043 62.178 -3.135 18905 4043 1 7 . 1 1 57 57 VAL CB C 57 30.019 30.019 31.324 -1.305 18905 4044 1 7 . 1 1 57 57 VAL H H 57 8.794 8.794 7.979 0.815 18905 4045 1 7 . 1 1 58 58 ILE N N 58 127.547 127.547 129.900 -2.353 18905 4046 1 7 . 1 1 58 58 ILE HA H 58 4.049 4.049 3.950 0.099 18905 4047 1 7 . 1 1 58 58 ILE C C 58 172.672 172.672 175.393 -2.721 18905 4048 1 7 . 1 1 58 58 ILE CA C 58 57.246 57.246 60.136 -2.890 18905 4049 1 7 . 1 1 58 58 ILE CB C 58 32.839 32.839 36.055 -3.216 18905 4050 1 7 . 1 1 58 58 ILE H H 58 7.259 7.259 7.916 -0.657 18905 4051 1 7 . 1 1 59 59 LYS N N 59 127.231 127.231 127.417 -0.186 18905 4052 1 7 . 1 1 59 59 LYS HA H 59 4.532 4.532 4.614 -0.082 18905 4053 1 7 . 1 1 59 59 LYS C C 59 173.119 173.119 176.112 -2.993 18905 4054 1 7 . 1 1 59 59 LYS CA C 59 52.444 52.444 55.583 -3.139 18905 4055 1 7 . 1 1 59 59 LYS CB C 59 32.374 32.374 33.463 -1.089 18905 4056 1 7 . 1 1 59 59 LYS H H 59 8.571 8.571 8.426 0.145 18905 4057 1 7 . 1 1 60 60 ASP N N 60 123.232 123.232 120.719 2.513 18905 4058 1 7 . 1 1 60 60 ASP HA H 60 4.496 4.496 4.608 -0.112 18905 4059 1 7 . 1 1 60 60 ASP C C 60 174.118 174.118 176.869 -2.751 18905 4060 1 7 . 1 1 60 60 ASP CA C 60 50.786 50.786 54.203 -3.417 18905 4061 1 7 . 1 1 60 60 ASP CB C 60 40.058 40.058 42.843 -2.785 18905 4062 1 7 . 1 1 60 60 ASP H H 60 8.527 8.527 8.495 0.032 18905 4063 1 7 . 1 1 61 61 LYS N N 61 125.977 125.977 120.109 5.868 18905 4064 1 7 . 1 1 61 61 LYS HA H 61 3.918 3.918 4.333 -0.415 18905 4065 1 7 . 1 1 61 61 LYS C C 61 174.696 174.696 177.907 -3.211 18905 4066 1 7 . 1 1 61 61 LYS CA C 61 56.017 56.017 57.411 -1.394 18905 4067 1 7 . 1 1 61 61 LYS CB C 61 29.813 29.813 33.237 -3.424 18905 4068 1 7 . 1 1 61 61 LYS H H 61 8.770 8.770 8.389 0.381 18905 4069 1 7 . 1 1 62 62 GLN N N 62 116.732 116.732 119.043 -2.311 18905 4070 1 7 . 1 1 62 62 GLN HA H 62 4.252 4.252 4.104 0.148 18905 4071 1 7 . 1 1 62 62 GLN C C 62 174.793 174.793 176.319 -1.526 18905 4072 1 7 . 1 1 62 62 GLN CA C 62 55.001 55.001 58.006 -3.005 18905 4073 1 7 . 1 1 62 62 GLN CB C 62 26.516 26.516 29.030 -2.514 18905 4074 1 7 . 1 1 62 62 GLN H H 62 8.538 8.538 8.769 -0.231 18905 4075 1 7 . 1 1 63 63 THR N N 63 108.519 108.519 109.054 -0.535 18905 4076 1 7 . 1 1 63 63 THR HA H 63 4.265 4.265 4.425 -0.160 18905 4077 1 7 . 1 1 63 63 THR CA C 63 59.302 59.302 60.088 -0.786 18905 4078 1 7 . 1 1 63 63 THR CB C 63 67.891 67.891 70.390 -2.499 18905 4079 1 7 . 1 1 63 63 THR H H 63 7.882 7.882 7.598 0.284 18905 4080 1 7 . 1 1 64 64 GLN N N 64 113.890 113.890 118.306 -4.416 18905 4081 1 7 . 1 1 64 64 GLN HA H 64 3.829 3.829 4.550 -0.721 18905 4082 1 7 . 1 1 64 64 GLN C C 64 172.129 172.129 174.731 -2.602 18905 4083 1 7 . 1 1 64 64 GLN CA C 64 54.560 54.560 54.684 -0.124 18905 4084 1 7 . 1 1 64 64 GLN CB C 64 23.812 23.812 28.014 -4.202 18905 4085 1 7 . 1 1 64 64 GLN H H 64 8.188 8.188 8.405 -0.217 18905 4086 1 7 . 1 1 65 65 LEU N N 65 119.516 119.516 120.055 -0.539 18905 4087 1 7 . 1 1 65 65 LEU HA H 65 4.463 4.463 4.615 -0.152 18905 4088 1 7 . 1 1 65 65 LEU C C 65 174.174 174.174 175.572 -1.398 18905 4089 1 7 . 1 1 65 65 LEU CA C 65 51.024 51.024 52.970 -1.946 18905 4090 1 7 . 1 1 65 65 LEU CB C 65 39.608 39.608 45.482 -5.874 18905 4091 1 7 . 1 1 65 65 LEU H H 65 7.682 7.682 7.333 0.349 18905 4092 1 7 . 1 1 66 66 ASN N N 66 117.776 117.776 118.139 -0.363 18905 4093 1 7 . 1 1 66 66 ASN HA H 66 4.958 4.958 4.815 0.143 18905 4094 1 7 . 1 1 66 66 ASN C C 66 171.913 171.913 176.453 -4.540 18905 4095 1 7 . 1 1 66 66 ASN CA C 66 50.440 50.440 53.604 -3.164 18905 4096 1 7 . 1 1 66 66 ASN CB C 66 36.771 36.771 39.083 -2.312 18905 4097 1 7 . 1 1 66 66 ASN H H 66 8.771 8.771 8.161 0.610 18905 4098 1 7 . 1 1 67 67 ARG N N 67 117.508 117.508 121.687 -4.179 18905 4099 1 7 . 1 1 67 67 ARG HA H 67 4.193 4.193 4.287 -0.094 18905 4100 1 7 . 1 1 67 67 ARG CA C 67 53.615 53.615 57.123 -3.508 18905 4101 1 7 . 1 1 67 67 ARG CB C 67 28.137 28.137 30.035 -1.898 18905 4102 1 7 . 1 1 67 67 ARG H H 67 8.313 8.313 8.191 0.122 18905 4103 1 7 . 1 1 68 68 GLY N N 68 107.904 107.904 106.579 1.325 18905 4104 1 7 . 1 1 68 68 GLY CA C 68 42.842 42.842 45.216 -2.374 18905 4105 1 7 . 1 1 68 68 GLY H H 68 9.437 9.437 8.535 0.902 18905 4106 1 7 . 1 1 69 69 PHE N N 69 113.804 113.804 115.943 -2.139 18905 4107 1 7 . 1 1 69 69 PHE HA H 69 5.754 5.754 5.558 0.196 18905 4108 1 7 . 1 1 69 69 PHE C C 69 170.151 170.151 172.644 -2.493 18905 4109 1 7 . 1 1 69 69 PHE CA C 69 51.625 51.625 54.821 -3.196 18905 4110 1 7 . 1 1 69 69 PHE CB C 69 39.587 39.587 41.389 -1.802 18905 4111 1 7 . 1 1 69 69 PHE H H 69 6.750 6.750 7.248 -0.498 18905 4112 1 7 . 1 1 70 70 ALA N N 70 118.965 118.965 118.561 0.404 18905 4113 1 7 . 1 1 70 70 ALA HA H 70 4.807 4.807 4.291 0.516 18905 4114 1 7 . 1 1 70 70 ALA C C 70 171.693 171.693 174.677 -2.984 18905 4115 1 7 . 1 1 70 70 ALA CA C 70 47.155 47.155 51.259 -4.104 18905 4116 1 7 . 1 1 70 70 ALA CB C 70 21.153 21.153 21.910 -0.757 18905 4117 1 7 . 1 1 70 70 ALA H H 70 8.526 8.526 7.921 0.605 18905 4118 1 7 . 1 1 71 71 PHE N N 71 117.469 117.469 117.805 -0.336 18905 4119 1 7 . 1 1 71 71 PHE HA H 71 5.537 5.537 5.571 -0.034 18905 4120 1 7 . 1 1 71 71 PHE C C 71 172.630 172.630 174.920 -2.290 18905 4121 1 7 . 1 1 71 71 PHE CA C 71 52.609 52.609 56.107 -3.498 18905 4122 1 7 . 1 1 71 71 PHE CB C 71 39.675 39.675 44.158 -4.483 18905 4123 1 7 . 1 1 71 71 PHE H H 71 8.824 8.824 8.591 0.233 18905 4124 1 7 . 1 1 72 72 ILE N N 72 122.867 122.867 120.577 2.290 18905 4125 1 7 . 1 1 72 72 ILE HA H 72 5.022 5.022 4.772 0.250 18905 4126 1 7 . 1 1 72 72 ILE CA C 72 56.881 56.881 60.528 -3.647 18905 4127 1 7 . 1 1 72 72 ILE CB C 72 37.031 37.031 41.403 -4.372 18905 4128 1 7 . 1 1 72 72 ILE H H 72 9.555 9.555 9.046 0.509 18905 4129 1 7 . 1 1 73 73 GLN N N 73 128.422 128.422 127.474 0.948 18905 4130 1 7 . 1 1 73 73 GLN HA H 73 5.170 5.170 4.372 0.798 18905 4131 1 7 . 1 1 73 73 GLN CA C 73 52.252 52.252 56.642 -4.390 18905 4132 1 7 . 1 1 73 73 GLN CB C 73 28.291 28.291 29.604 -1.313 18905 4133 1 7 . 1 1 73 73 GLN H H 73 8.964 8.964 8.309 0.655 18905 4134 1 7 . 1 1 74 74 LEU N N 74 126.707 126.707 122.901 3.806 18905 4135 1 7 . 1 1 74 74 LEU HA H 74 4.789 4.789 4.716 0.073 18905 4136 1 7 . 1 1 74 74 LEU CA C 74 50.617 50.617 53.563 -2.946 18905 4137 1 7 . 1 1 74 74 LEU CB C 74 44.885 44.885 45.309 -0.424 18905 4138 1 7 . 1 1 74 74 LEU H H 74 8.420 8.420 8.263 0.157 18905 4139 1 7 . 1 1 75 75 SER HA H 75 4.284 4.284 4.667 -0.383 18905 4140 1 7 . 1 1 75 75 SER CA C 75 55.390 55.390 55.937 -0.547 18905 4141 1 7 . 1 1 75 75 SER CB C 75 61.275 61.275 65.233 -3.958 18905 4142 1 7 . 1 1 76 76 THR N N 76 116.193 116.193 118.216 -2.023 18905 4143 1 7 . 1 1 76 76 THR HA H 76 3.994 3.994 4.171 -0.177 18905 4144 1 7 . 1 1 76 76 THR C C 76 174.630 174.630 176.480 -1.850 18905 4145 1 7 . 1 1 76 76 THR CA C 76 64.225 64.225 65.202 -0.977 18905 4146 1 7 . 1 1 76 76 THR CB C 76 66.003 66.003 68.855 -2.852 18905 4147 1 7 . 1 1 76 76 THR H H 76 8.614 8.614 8.712 -0.098 18905 4148 1 7 . 1 1 77 77 ILE N N 77 120.400 120.400 121.715 -1.315 18905 4149 1 7 . 1 1 77 77 ILE HA H 77 3.911 3.911 3.923 -0.012 18905 4150 1 7 . 1 1 77 77 ILE C C 77 175.577 175.577 177.524 -1.947 18905 4151 1 7 . 1 1 77 77 ILE CA C 77 61.264 61.264 64.309 -3.045 18905 4152 1 7 . 1 1 77 77 ILE CB C 77 35.379 35.379 37.763 -2.384 18905 4153 1 7 . 1 1 77 77 ILE H H 77 8.044 8.044 8.054 -0.010 18905 4154 1 7 . 1 1 78 78 GLU N N 78 120.562 120.562 119.527 1.035 18905 4155 1 7 . 1 1 78 78 GLU HA H 78 4.062 4.062 4.118 -0.056 18905 4156 1 7 . 1 1 78 78 GLU C C 78 176.596 176.596 177.718 -1.122 18905 4157 1 7 . 1 1 78 78 GLU CA C 78 56.355 56.355 58.907 -2.552 18905 4158 1 7 . 1 1 78 78 GLU CB C 78 27.668 27.668 29.268 -1.600 18905 4159 1 7 . 1 1 78 78 GLU H H 78 7.548 7.548 8.552 -1.004 18905 4160 1 7 . 1 1 79 79 ALA N N 79 122.789 122.789 118.869 3.920 18905 4161 1 7 . 1 1 79 79 ALA HA H 79 3.923 3.923 4.687 -0.764 18905 4162 1 7 . 1 1 79 79 ALA C C 79 175.736 175.736 176.355 -0.619 18905 4163 1 7 . 1 1 79 79 ALA CA C 79 52.649 52.649 52.143 0.506 18905 4164 1 7 . 1 1 79 79 ALA CB C 79 15.305 15.305 17.614 -2.309 18905 4165 1 7 . 1 1 79 79 ALA H H 79 9.279 9.279 7.675 1.604 18905 4166 1 7 . 1 1 80 80 ALA N N 80 118.643 118.643 120.769 -2.126 18905 4167 1 7 . 1 1 80 80 ALA HA H 80 4.001 4.001 4.556 -0.555 18905 4168 1 7 . 1 1 80 80 ALA C C 80 177.943 177.943 179.194 -1.251 18905 4169 1 7 . 1 1 80 80 ALA CA C 80 52.521 52.521 53.224 -0.703 18905 4170 1 7 . 1 1 80 80 ALA CB C 80 15.281 15.281 19.767 -4.486 18905 4171 1 7 . 1 1 80 80 ALA H H 80 7.688 7.688 7.868 -0.180 18905 4172 1 7 . 1 1 81 81 GLN N N 81 116.877 116.877 120.882 -4.005 18905 4173 1 7 . 1 1 81 81 GLN HA H 81 4.015 4.015 4.092 -0.077 18905 4174 1 7 . 1 1 81 81 GLN CA C 81 55.760 55.760 58.509 -2.749 18905 4175 1 7 . 1 1 81 81 GLN CB C 81 25.786 25.786 28.614 -2.828 18905 4176 1 7 . 1 1 81 81 GLN H H 81 7.593 7.593 7.865 -0.272 18905 4177 1 7 . 1 1 82 82 LEU N N 82 119.946 119.946 120.866 -0.920 18905 4178 1 7 . 1 1 82 82 LEU HA H 82 4.121 4.121 4.075 0.046 18905 4179 1 7 . 1 1 82 82 LEU C C 82 175.358 175.358 178.731 -3.373 18905 4180 1 7 . 1 1 82 82 LEU CA C 82 54.781 54.781 57.212 -2.431 18905 4181 1 7 . 1 1 82 82 LEU CB C 82 38.240 38.240 41.921 -3.681 18905 4182 1 7 . 1 1 82 82 LEU H H 82 8.258 8.258 7.942 0.316 18905 4183 1 7 . 1 1 83 83 LEU N N 83 119.288 119.288 119.468 -0.180 18905 4184 1 7 . 1 1 83 83 LEU HA H 83 3.585 3.585 3.915 -0.330 18905 4185 1 7 . 1 1 83 83 LEU C C 83 175.365 175.365 178.209 -2.844 18905 4186 1 7 . 1 1 83 83 LEU CA C 83 56.142 56.142 58.316 -2.174 18905 4187 1 7 . 1 1 83 83 LEU CB C 83 38.875 38.875 41.993 -3.118 18905 4188 1 7 . 1 1 83 83 LEU H H 83 8.407 8.407 7.832 0.575 18905 4189 1 7 . 1 1 84 84 GLN N N 84 115.391 115.391 117.862 -2.471 18905 4190 1 7 . 1 1 84 84 GLN HA H 84 3.878 3.878 4.072 -0.194 18905 4191 1 7 . 1 1 84 84 GLN C C 84 176.472 176.472 177.789 -1.317 18905 4192 1 7 . 1 1 84 84 GLN CA C 84 56.142 56.142 58.340 -2.198 18905 4193 1 7 . 1 1 84 84 GLN CB C 84 25.733 25.733 28.701 -2.969 18905 4194 1 7 . 1 1 84 84 GLN H H 84 7.347 7.347 7.744 -0.397 18905 4195 1 7 . 1 1 85 85 ILE N N 85 119.593 119.593 119.828 -0.235 18905 4196 1 7 . 1 1 85 85 ILE HA H 85 3.607 3.607 3.754 -0.147 18905 4197 1 7 . 1 1 85 85 ILE CA C 85 61.779 61.779 64.182 -2.403 18905 4198 1 7 . 1 1 85 85 ILE CB C 85 35.948 35.948 38.292 -2.344 18905 4199 1 7 . 1 1 85 85 ILE H H 85 7.650 7.650 7.450 0.200 18905 4200 1 7 . 1 1 86 86 LEU N N 86 116.537 116.537 120.222 -3.685 18905 4201 1 7 . 1 1 86 86 LEU HA H 86 3.757 3.757 4.004 -0.247 18905 4202 1 7 . 1 1 86 86 LEU C C 86 177.610 177.610 179.188 -1.578 18905 4203 1 7 . 1 1 86 86 LEU CA C 86 54.521 54.521 58.047 -3.526 18905 4204 1 7 . 1 1 86 86 LEU CB C 86 39.226 39.226 41.463 -2.237 18905 4205 1 7 . 1 1 86 86 LEU H H 86 8.410 8.410 8.126 0.284 18905 4206 1 7 . 1 1 87 87 GLN N N 87 115.959 115.959 117.415 -1.456 18905 4207 1 7 . 1 1 87 87 GLN HA H 87 4.009 4.009 4.071 -0.062 18905 4208 1 7 . 1 1 87 87 GLN C C 87 174.156 174.156 176.650 -2.494 18905 4209 1 7 . 1 1 87 87 GLN CA C 87 55.735 55.735 57.756 -2.021 18905 4210 1 7 . 1 1 87 87 GLN CB C 87 25.516 25.516 28.037 -2.521 18905 4211 1 7 . 1 1 87 87 GLN H H 87 8.406 8.406 7.946 0.460 18905 4212 1 7 . 1 1 88 88 ALA N N 88 120.044 120.044 119.898 0.146 18905 4213 1 7 . 1 1 88 88 ALA HA H 88 4.338 4.338 4.469 -0.131 18905 4214 1 7 . 1 1 88 88 ALA C C 88 174.373 174.373 176.499 -2.126 18905 4215 1 7 . 1 1 88 88 ALA CA C 88 48.933 48.933 52.158 -3.225 18905 4216 1 7 . 1 1 88 88 ALA CB C 88 16.681 16.681 20.514 -3.833 18905 4217 1 7 . 1 1 88 88 ALA H H 88 7.110 7.110 7.645 -0.535 18905 4218 1 7 . 1 1 89 89 LEU N N 89 119.696 119.696 116.469 3.227 18905 4219 1 7 . 1 1 89 89 LEU HA H 89 3.929 3.929 4.730 -0.801 18905 4220 1 7 . 1 1 89 89 LEU C C 89 175.387 175.387 174.788 0.599 18905 4221 1 7 . 1 1 89 89 LEU CA C 89 53.364 53.364 54.637 -1.273 18905 4222 1 7 . 1 1 89 89 LEU CB C 89 39.775 39.775 44.538 -4.763 18905 4223 1 7 . 1 1 89 89 LEU H H 89 6.693 6.693 7.404 -0.711 18905 4224 1 7 . 1 1 90 90 HIS N N 90 120.136 120.136 118.496 1.640 18905 4225 1 7 . 1 1 90 90 HIS HA H 90 4.419 4.419 5.053 -0.634 18905 4226 1 7 . 1 1 90 90 HIS CA C 90 50.226 50.226 53.123 -2.897 18905 4227 1 7 . 1 1 90 90 HIS CB C 90 27.853 27.853 31.288 -3.434 18905 4228 1 7 . 1 1 90 90 HIS H H 90 8.299 8.299 8.309 -0.010 18905 4229 1 7 . 1 1 91 91 PRO HA H 91 4.367 4.367 4.789 -0.422 18905 4230 1 7 . 1 1 91 91 PRO CA C 91 60.550 60.550 61.385 -0.835 18905 4231 1 7 . 1 1 91 91 PRO CB C 91 29.416 29.416 31.845 -2.429 18905 4232 1 7 . 1 1 92 92 PRO HA H 92 4.815 4.815 4.399 0.416 18905 4233 1 7 . 1 1 92 92 PRO CA C 92 59.812 59.812 63.336 -3.524 18905 4234 1 7 . 1 1 92 92 PRO CB C 92 30.119 30.119 32.095 -1.976 18905 4235 1 7 . 1 1 93 93 LEU N N 93 121.469 121.469 121.891 -0.422 18905 4236 1 7 . 1 1 93 93 LEU HA H 93 3.954 3.954 4.489 -0.535 18905 4237 1 7 . 1 1 93 93 LEU CA C 93 53.500 53.500 54.162 -0.662 18905 4238 1 7 . 1 1 93 93 LEU CB C 93 39.889 39.889 39.763 0.126 18905 4239 1 7 . 1 1 93 93 LEU H H 93 8.404 8.404 8.027 0.377 18905 4240 1 7 . 1 1 94 94 THR HA H 94 5.276 5.276 4.329 0.947 18905 4241 1 7 . 1 1 94 94 THR CA C 94 57.077 57.077 62.349 -5.271 18905 4242 1 7 . 1 1 94 94 THR CB C 94 69.076 69.076 68.584 0.492 18905 4243 1 7 . 1 1 95 95 ILE N N 95 121.239 121.239 125.976 -4.737 18905 4244 1 7 . 1 1 95 95 ILE HA H 95 4.184 4.184 4.190 -0.006 18905 4245 1 7 . 1 1 95 95 ILE CA C 95 58.054 58.054 60.640 -2.586 18905 4246 1 7 . 1 1 95 95 ILE CB C 95 37.534 37.534 39.941 -2.407 18905 4247 1 7 . 1 1 95 95 ILE H H 95 8.317 8.317 7.915 0.402 18905 4248 1 7 . 1 1 96 96 ASP N N 96 130.909 130.909 126.723 4.186 18905 4249 1 7 . 1 1 96 96 ASP HA H 96 4.292 4.292 4.208 0.084 18905 4250 1 7 . 1 1 96 96 ASP CA C 96 53.001 53.001 55.476 -2.475 18905 4251 1 7 . 1 1 96 96 ASP CB C 96 37.114 37.114 40.888 -3.774 18905 4252 1 7 . 1 1 96 96 ASP H H 96 9.837 9.837 9.073 0.764 18905 4253 1 7 . 1 1 97 97 GLY N N 97 102.578 102.578 106.047 -3.469 18905 4254 1 7 . 1 1 97 97 GLY C C 97 170.992 170.992 173.361 -2.369 18905 4255 1 7 . 1 1 97 97 GLY CA C 97 42.754 42.754 44.787 -2.033 18905 4256 1 7 . 1 1 97 97 GLY H H 97 8.638 8.638 8.155 0.483 18905 4257 1 7 . 1 1 98 98 LYS N N 98 120.330 120.330 118.988 1.342 18905 4258 1 7 . 1 1 98 98 LYS HA H 98 4.629 4.629 4.827 -0.198 18905 4259 1 7 . 1 1 98 98 LYS C C 98 172.675 172.675 174.171 -1.496 18905 4260 1 7 . 1 1 98 98 LYS CA C 98 50.304 50.304 53.720 -3.416 18905 4261 1 7 . 1 1 98 98 LYS CB C 98 31.136 31.136 34.586 -3.450 18905 4262 1 7 . 1 1 98 98 LYS H H 98 7.440 7.440 7.669 -0.229 18905 4263 1 7 . 1 1 99 99 THR N N 99 119.612 119.612 111.338 8.274 18905 4264 1 7 . 1 1 99 99 THR HA H 99 4.356 4.356 4.419 -0.063 18905 4265 1 7 . 1 1 99 99 THR C C 99 171.511 171.511 173.018 -1.507 18905 4266 1 7 . 1 1 99 99 THR CA C 99 60.382 60.382 60.037 0.345 18905 4267 1 7 . 1 1 99 99 THR CB C 99 65.967 65.967 70.521 -4.554 18905 4268 1 7 . 1 1 99 99 THR H H 99 8.626 8.626 8.186 0.440 18905 4269 1 7 . 1 1 100 100 ILE N N 100 129.389 129.389 121.765 7.624 18905 4270 1 7 . 1 1 100 100 ILE HA H 100 4.358 4.358 4.369 -0.011 18905 4271 1 7 . 1 1 100 100 ILE C C 100 172.710 172.710 175.159 -2.449 18905 4272 1 7 . 1 1 100 100 ILE CA C 100 55.202 55.202 59.169 -3.967 18905 4273 1 7 . 1 1 100 100 ILE CB C 100 34.925 34.925 37.350 -2.425 18905 4274 1 7 . 1 1 100 100 ILE H H 100 8.463 8.463 8.406 0.057 18905 4275 1 7 . 1 1 101 101 ASN N N 101 123.767 123.767 125.186 -1.419 18905 4276 1 7 . 1 1 101 101 ASN HA H 101 4.904 4.904 5.132 -0.228 18905 4277 1 7 . 1 1 101 101 ASN C C 101 170.860 170.860 174.079 -3.219 18905 4278 1 7 . 1 1 101 101 ASN CA C 101 49.884 49.884 51.335 -1.451 18905 4279 1 7 . 1 1 101 101 ASN CB C 101 38.364 38.364 41.690 -3.326 18905 4280 1 7 . 1 1 101 101 ASN H H 101 7.878 7.878 8.808 -0.930 18905 4281 1 7 . 1 1 102 102 VAL N N 102 122.207 122.207 120.129 2.078 18905 4282 1 7 . 1 1 102 102 VAL HA H 102 4.933 4.933 4.289 0.644 18905 4283 1 7 . 1 1 102 102 VAL C C 102 175.222 175.222 175.103 0.119 18905 4284 1 7 . 1 1 102 102 VAL CA C 102 57.981 57.981 61.730 -3.749 18905 4285 1 7 . 1 1 102 102 VAL CB C 102 31.183 31.183 32.449 -1.266 18905 4286 1 7 . 1 1 102 102 VAL H H 102 8.503 8.503 8.521 -0.018 18905 4287 1 7 . 1 1 103 103 GLU N N 103 124.079 124.079 128.711 -4.632 18905 4288 1 7 . 1 1 103 103 GLU HA H 103 4.557 4.557 4.575 -0.018 18905 4289 1 7 . 1 1 103 103 GLU CA C 103 51.772 51.772 55.685 -3.913 18905 4290 1 7 . 1 1 103 103 GLU CB C 103 31.226 31.226 33.969 -2.743 18905 4291 1 7 . 1 1 103 103 GLU H H 103 8.627 8.627 8.655 -0.028 18905 4292 1 7 . 1 1 104 104 PHE N N 104 121.287 121.287 122.391 -1.104 18905 4293 1 7 . 1 1 104 104 PHE HA H 104 5.047 5.047 4.966 0.081 18905 4294 1 7 . 1 1 104 104 PHE C C 104 173.023 173.023 175.515 -2.492 18905 4295 1 7 . 1 1 104 104 PHE CA C 104 55.305 55.305 56.343 -1.038 18905 4296 1 7 . 1 1 104 104 PHE CB C 104 38.342 38.342 40.706 -2.364 18905 4297 1 7 . 1 1 104 104 PHE H H 104 8.778 8.778 8.785 -0.007 18905 4298 1 7 . 1 1 105 105 ALA N N 105 127.703 127.703 131.873 -4.170 18905 4299 1 7 . 1 1 105 105 ALA HA H 105 4.278 4.278 4.365 -0.087 18905 4300 1 7 . 1 1 105 105 ALA C C 105 172.939 172.939 176.445 -3.506 18905 4301 1 7 . 1 1 105 105 ALA CA C 105 48.936 48.936 52.561 -3.625 18905 4302 1 7 . 1 1 105 105 ALA CB C 105 17.822 17.822 17.794 0.028 18905 4303 1 7 . 1 1 105 105 ALA H H 105 8.630 8.630 8.494 0.136 18905 4304 1 7 . 1 1 106 106 LYS N N 106 121.259 121.259 119.248 2.011 18905 4305 1 7 . 1 1 106 106 LYS HA H 106 4.211 4.211 4.726 -0.515 18905 4306 1 7 . 1 1 106 106 LYS C C 106 174.939 174.939 176.691 -1.752 18905 4307 1 7 . 1 1 106 106 LYS CA C 106 52.995 52.995 55.558 -2.563 18905 4308 1 7 . 1 1 106 106 LYS CB C 106 30.290 30.290 33.129 -2.839 18905 4309 1 7 . 1 1 106 106 LYS H H 106 8.289 8.289 7.534 0.755 18905 4310 1 7 . 1 1 107 107 GLY N N 107 111.965 111.965 107.683 4.282 18905 4311 1 7 . 1 1 107 107 GLY C C 107 171.215 171.215 172.999 -1.784 18905 4312 1 7 . 1 1 107 107 GLY CA C 107 42.651 42.651 43.808 -1.157 18905 4313 1 7 . 1 1 107 107 GLY H H 107 8.921 8.921 8.490 0.431 18905 4314 1 7 . 1 1 108 108 SER N N 108 114.479 114.479 115.785 -1.306 18905 4315 1 7 . 1 1 108 108 SER HA H 108 4.294 4.294 4.318 -0.024 18905 4316 1 7 . 1 1 108 108 SER C C 108 172.040 172.040 174.399 -2.359 18905 4317 1 7 . 1 1 108 108 SER CA C 108 55.336 55.336 59.481 -4.145 18905 4318 1 7 . 1 1 108 108 SER H H 108 8.197 8.197 8.348 -0.151 18905 4319 1 7 . 1 1 109 109 LYS N N 109 123.374 123.374 127.449 -4.075 18905 4320 1 7 . 1 1 109 109 LYS HA H 109 4.198 4.198 4.457 -0.259 18905 4321 1 7 . 1 1 109 109 LYS C C 109 173.967 173.967 175.833 -1.866 18905 4322 1 7 . 1 1 109 109 LYS CA C 109 53.730 53.730 56.291 -2.561 18905 4323 1 7 . 1 1 109 109 LYS CB C 109 30.137 30.137 33.378 -3.241 18905 4324 1 7 . 1 1 109 109 LYS H H 109 8.306 8.306 8.459 -0.153 18905 4325 1 7 . 1 1 110 110 ARG N N 110 134.189 134.189 122.072 12.117 18905 4326 1 7 . 1 1 110 110 ARG HA H 110 4.542 4.542 4.494 0.048 18905 4327 1 7 . 1 1 110 110 ARG C C 110 173.119 173.119 175.726 -2.607 18905 4328 1 7 . 1 1 110 110 ARG CA C 110 52.474 52.474 55.607 -3.133 18905 4329 1 7 . 1 1 110 110 ARG CB C 110 32.296 32.296 31.076 1.220 18905 4330 1 7 . 1 1 111 111 ASP N N 111 123.210 123.210 119.136 4.074 18905 4331 1 7 . 1 1 111 111 ASP HA H 111 4.519 4.519 4.669 -0.150 18905 4332 1 7 . 1 1 111 111 ASP C C 111 174.187 174.187 176.089 -1.902 18905 4333 1 7 . 1 1 111 111 ASP CA C 111 52.307 52.307 53.361 -1.054 18905 4334 1 7 . 1 1 111 111 ASP CB C 111 40.206 40.206 40.646 -0.440 18905 4335 1 7 . 1 1 111 111 ASP H H 111 8.523 8.523 8.012 0.511 18905 4336 1 7 . 1 1 112 112 MET HA H 112 4.330 4.330 4.429 -0.099 18905 4337 1 7 . 1 1 112 112 MET CA C 112 53.074 53.074 55.352 -2.278 18905 4338 1 7 . 1 1 112 112 MET CB C 112 30.057 30.057 33.422 -3.365 18905 4339 1 7 . 1 1 113 113 ALA N N 113 124.061 124.061 122.530 1.531 18905 4340 1 7 . 1 1 113 113 ALA HA H 113 4.229 4.229 4.662 -0.433 18905 4341 1 7 . 1 1 113 113 ALA C C 113 175.243 175.243 176.624 -1.381 18905 4342 1 7 . 1 1 113 113 ALA CA C 113 49.967 49.967 51.536 -1.569 18905 4343 1 7 . 1 1 113 113 ALA CB C 113 16.436 16.436 20.715 -4.279 18905 4344 1 7 . 1 1 113 113 ALA H H 113 8.214 8.214 8.221 -0.007 18905 4345 1 7 . 1 1 114 114 SER N N 114 114.286 114.286 117.073 -2.787 18905 4346 1 7 . 1 1 114 114 SER HA H 114 4.376 4.376 4.384 -0.008 18905 4347 1 7 . 1 1 114 114 SER CA C 114 55.596 55.596 58.969 -3.373 18905 4348 1 7 . 1 1 114 114 SER CB C 114 61.009 61.009 62.425 -1.416 18905 4349 1 7 . 1 1 114 114 SER H H 114 8.124 8.124 8.615 -0.491 18905 4350 1 7 . 1 1 119 119 ARG N N 119 122.813 122.813 120.126 2.687 18905 4351 1 7 . 1 1 119 119 ARG HA H 119 4.294 4.294 4.502 -0.208 18905 4352 1 7 . 1 1 119 119 ARG C C 119 173.654 173.654 174.247 -0.593 18905 4353 1 7 . 1 1 119 119 ARG CA C 119 53.701 53.701 55.961 -2.260 18905 4354 1 7 . 1 1 119 119 ARG CB C 119 28.140 28.140 30.647 -2.507 18905 4355 1 7 . 1 1 119 119 ARG H H 119 8.246 8.246 8.198 0.048 18905 4356 1 7 . 1 1 120 120 ILE N N 120 121.624 121.624 123.042 -1.418 18905 4357 1 7 . 1 1 120 120 ILE HA H 120 4.099 4.099 4.465 -0.366 18905 4358 1 7 . 1 1 120 120 ILE C C 120 173.651 173.651 175.618 -1.967 18905 4359 1 7 . 1 1 120 120 ILE CA C 120 58.593 58.593 61.260 -2.667 18905 4360 1 7 . 1 1 120 120 ILE CB C 120 36.091 36.091 39.739 -3.648 18905 4361 1 7 . 1 1 120 120 ILE H H 120 8.084 8.084 8.379 -0.295 18905 4362 1 7 . 1 1 121 121 SER N N 121 119.953 119.953 120.511 -0.558 18905 4363 1 7 . 1 1 121 121 SER HA H 121 4.378 4.378 4.769 -0.391 18905 4364 1 7 . 1 1 121 121 SER C C 121 170.780 170.780 172.857 -2.077 18905 4365 1 7 . 1 1 121 121 SER CA C 121 55.506 55.506 57.925 -2.419 18905 4366 1 7 . 1 1 121 121 SER CB C 121 61.571 61.571 64.723 -3.152 18905 4367 1 7 . 1 1 121 121 SER H H 121 8.300 8.300 8.545 -0.245 18905 4368 1 7 . 1 1 123 123 ALA N N 123 119.892 119.892 122.203 -2.311 18905 4369 1 7 . 1 1 123 123 ALA HA H 123 4.102 4.102 4.422 -0.320 18905 4370 1 7 . 1 1 123 123 ALA CA C 123 58.473 58.473 52.384 6.089 18905 4371 1 7 . 1 1 123 123 ALA H H 123 8.305 8.305 8.191 0.114 18905 4372 1 7 . 1 1 124 124 SER N N 124 122.264 122.264 113.218 9.046 18905 4373 1 7 . 1 1 124 124 SER HA H 124 4.384 4.384 4.591 -0.207 18905 4374 1 7 . 1 1 124 124 SER CA C 124 55.632 55.632 57.604 -1.972 18905 4375 1 7 . 1 1 124 124 SER CB C 124 60.925 60.925 64.402 -3.477 18905 4376 1 7 . 1 1 124 124 SER H H 124 8.353 8.353 8.018 0.335 18905 4377 1 7 . 1 1 125 125 VAL N N 125 121.433 121.433 120.693 0.740 18905 4378 1 7 . 1 1 125 125 VAL HA H 125 4.073 4.073 4.384 -0.311 18905 4379 1 7 . 1 1 125 125 VAL C C 125 173.240 173.240 173.713 -0.473 18905 4380 1 7 . 1 1 125 125 VAL CA C 125 59.588 59.588 62.296 -2.708 18905 4381 1 7 . 1 1 125 125 VAL CB C 125 30.198 30.198 33.858 -3.660 18905 4382 1 7 . 1 1 125 125 VAL H H 125 8.014 8.014 8.376 -0.362 18905 4383 1 7 . 1 1 126 126 ALA N N 126 127.185 127.185 129.432 -2.247 18905 4384 1 7 . 1 1 126 126 ALA HA H 126 4.278 4.278 5.024 -0.746 18905 4385 1 7 . 1 1 126 126 ALA C C 126 175.118 175.118 175.706 -0.588 18905 4386 1 7 . 1 1 126 126 ALA CA C 126 49.919 49.919 51.886 -1.967 18905 4387 1 7 . 1 1 126 126 ALA CB C 126 16.532 16.532 19.978 -3.446 18905 4388 1 7 . 1 1 126 126 ALA H H 126 8.277 8.277 8.502 -0.225 18905 4389 1 7 . 1 1 127 127 SER N N 127 115.148 115.148 116.888 -1.740 18905 4390 1 7 . 1 1 127 127 SER HA H 127 4.420 4.420 4.670 -0.250 18905 4391 1 7 . 1 1 127 127 SER C C 127 172.168 172.168 173.642 -1.474 18905 4392 1 7 . 1 1 127 127 SER CA C 127 55.770 55.770 58.674 -2.904 18905 4393 1 7 . 1 1 127 127 SER CB C 127 58.992 58.992 63.776 -4.784 18905 4394 1 7 . 1 1 127 127 SER H H 127 8.249 8.249 8.597 -0.348 18905 4395 1 7 . 1 1 128 128 THR N N 128 115.498 115.498 116.014 -0.516 18905 4396 1 7 . 1 1 128 128 THR C C 128 171.392 171.392 173.259 -1.867 18905 4397 1 7 . 1 1 128 128 THR CA C 128 59.083 59.083 61.617 -2.534 18905 4398 1 7 . 1 1 128 128 THR H H 128 8.050 8.050 7.954 0.096 18905 4399 1 7 . 1 1 129 129 ALA N N 129 126.543 126.543 125.322 1.221 18905 4400 1 7 . 1 1 129 129 ALA HA H 129 4.236 4.236 5.253 -1.017 18905 4401 1 7 . 1 1 129 129 ALA C C 129 174.650 174.650 175.645 -0.995 18905 4402 1 7 . 1 1 129 129 ALA CA C 129 49.794 49.794 51.242 -1.448 18905 4403 1 7 . 1 1 129 129 ALA CB C 129 16.538 16.538 20.617 -4.079 18905 4404 1 7 . 1 1 129 129 ALA H H 129 8.160 8.160 8.844 -0.684 18905 4405 1 7 . 1 1 130 130 ILE N N 130 120.371 120.371 118.890 1.481 18905 4406 1 7 . 1 1 130 130 ILE HA H 130 4.099 4.099 4.921 -0.822 18905 4407 1 7 . 1 1 130 130 ILE C C 130 173.651 173.651 174.988 -1.337 18905 4408 1 7 . 1 1 130 130 ILE CA C 130 58.513 58.513 60.565 -2.051 18905 4409 1 7 . 1 1 130 130 ILE CB C 130 36.091 36.091 40.335 -4.244 18905 4410 1 7 . 1 1 130 130 ILE H H 130 8.043 8.043 8.960 -0.917 18905 4411 1 8 . 1 1 4 4 GLY N N 4 110.117 110.117 112.713 -2.596 18905 4412 1 8 . 1 1 4 4 GLY C C 4 171.413 171.413 173.389 -1.976 18905 4413 1 8 . 1 1 4 4 GLY CA C 4 42.667 42.667 44.994 -2.327 18905 4414 1 8 . 1 1 4 4 GLY H H 4 8.391 8.391 8.706 -0.315 18905 4415 1 8 . 1 1 5 5 VAL N N 5 119.501 119.501 119.423 0.078 18905 4416 1 8 . 1 1 5 5 VAL HA H 5 4.018 4.018 4.457 -0.439 18905 4417 1 8 . 1 1 5 5 VAL C C 5 173.738 173.738 174.452 -0.714 18905 4418 1 8 . 1 1 5 5 VAL CA C 5 59.923 59.923 61.566 -1.643 18905 4419 1 8 . 1 1 5 5 VAL CB C 5 30.111 30.111 32.051 -1.940 18905 4420 1 8 . 1 1 5 5 VAL H H 5 7.951 7.951 7.800 0.151 18905 4421 1 8 . 1 1 6 6 LEU N N 6 125.484 125.484 125.706 -0.222 18905 4422 1 8 . 1 1 6 6 LEU HA H 6 4.280 4.280 4.865 -0.585 18905 4423 1 8 . 1 1 6 6 LEU C C 6 174.708 174.708 176.474 -1.766 18905 4424 1 8 . 1 1 6 6 LEU CA C 6 52.535 52.535 54.939 -2.404 18905 4425 1 8 . 1 1 6 6 LEU CB C 6 39.586 39.586 44.222 -4.636 18905 4426 1 8 . 1 1 6 6 LEU H H 6 8.248 8.248 8.230 0.018 18905 4427 1 8 . 1 1 7 7 ALA N N 7 124.939 124.939 125.198 -0.259 18905 4428 1 8 . 1 1 7 7 ALA HA H 7 4.234 4.234 4.839 -0.605 18905 4429 1 8 . 1 1 7 7 ALA C C 7 174.865 174.865 175.757 -0.892 18905 4430 1 8 . 1 1 7 7 ALA CA C 7 50.136 50.136 51.628 -1.492 18905 4431 1 8 . 1 1 7 7 ALA CB C 7 16.500 16.500 21.045 -4.545 18905 4432 1 8 . 1 1 7 7 ALA H H 7 8.241 8.241 8.720 -0.479 18905 4433 1 8 . 1 1 8 8 SER N N 8 117.901 117.901 115.100 2.801 18905 4434 1 8 . 1 1 8 8 SER HA H 8 4.377 4.377 4.490 -0.113 18905 4435 1 8 . 1 1 8 8 SER C C 8 172.221 172.221 174.264 -2.043 18905 4436 1 8 . 1 1 8 8 SER CA C 8 56.008 56.008 58.238 -2.230 18905 4437 1 8 . 1 1 8 8 SER CB C 8 61.008 61.008 63.661 -2.653 18905 4438 1 8 . 1 1 8 8 SER H H 8 8.347 8.347 8.243 0.104 18905 4439 1 8 . 1 1 9 9 GLN N N 9 122.019 122.019 122.458 -0.439 18905 4440 1 8 . 1 1 9 9 GLN HA H 9 4.302 4.302 4.508 -0.206 18905 4441 1 8 . 1 1 9 9 GLN C C 9 173.160 173.160 174.579 -1.419 18905 4442 1 8 . 1 1 9 9 GLN CA C 9 53.470 53.470 55.434 -1.964 18905 4443 1 8 . 1 1 9 9 GLN CB C 9 26.663 26.663 28.854 -2.191 18905 4444 1 8 . 1 1 9 9 GLN H H 9 8.240 8.240 8.448 -0.208 18905 4445 1 8 . 1 1 10 10 ALA N N 10 124.490 124.490 127.663 -3.173 18905 4446 1 8 . 1 1 10 10 ALA HA H 10 4.238 4.238 4.609 -0.371 18905 4447 1 8 . 1 1 10 10 ALA C C 10 175.142 175.142 175.906 -0.764 18905 4448 1 8 . 1 1 10 10 ALA CA C 10 50.121 50.121 51.810 -1.689 18905 4449 1 8 . 1 1 10 10 ALA CB C 10 16.322 16.322 20.769 -4.447 18905 4450 1 8 . 1 1 10 10 ALA H H 10 8.132 8.132 8.510 -0.378 18905 4451 1 8 . 1 1 11 11 LEU N N 11 120.785 120.785 123.645 -2.860 18905 4452 1 8 . 1 1 11 11 LEU HA H 11 4.278 4.278 4.654 -0.376 18905 4453 1 8 . 1 1 11 11 LEU C C 11 174.929 174.929 176.587 -1.658 18905 4454 1 8 . 1 1 11 11 LEU CA C 11 52.612 52.612 55.270 -2.658 18905 4455 1 8 . 1 1 11 11 LEU CB C 11 39.647 39.647 42.817 -3.170 18905 4456 1 8 . 1 1 11 11 LEU H H 11 8.088 8.088 8.330 -0.242 18905 4457 1 8 . 1 1 12 12 SER N N 12 116.121 116.121 118.491 -2.370 18905 4458 1 8 . 1 1 12 12 SER C C 12 171.977 171.977 174.047 -2.070 18905 4459 1 8 . 1 1 12 12 SER CA C 12 55.621 55.621 58.084 -2.463 18905 4460 1 8 . 1 1 12 12 SER CB C 12 56.041 56.041 63.582 -7.541 18905 4461 1 8 . 1 1 12 12 SER H H 12 8.170 8.170 8.512 -0.342 18905 4462 1 8 . 1 1 13 13 GLN N N 13 122.139 122.139 119.633 2.506 18905 4463 1 8 . 1 1 13 13 GLN HA H 13 4.312 4.312 4.493 -0.181 18905 4464 1 8 . 1 1 13 13 GLN CA C 13 54.059 54.059 55.195 -1.136 18905 4465 1 8 . 1 1 13 13 GLN H H 13 8.368 8.368 7.936 0.432 18905 4466 1 8 . 1 1 14 14 GLY N N 14 109.259 109.259 110.767 -1.508 18905 4467 1 8 . 1 1 14 14 GLY CA C 14 42.970 42.970 46.046 -3.076 18905 4468 1 8 . 1 1 14 14 GLY H H 14 8.378 8.378 8.610 -0.232 18905 4469 1 8 . 1 1 15 15 SER N N 15 115.486 115.486 113.670 1.816 18905 4470 1 8 . 1 1 15 15 SER HA H 15 4.378 4.378 4.549 -0.171 18905 4471 1 8 . 1 1 15 15 SER CA C 15 55.853 55.853 56.796 -0.943 18905 4472 1 8 . 1 1 15 15 SER CB C 15 59.406 59.406 65.758 -6.352 18905 4473 1 8 . 1 1 15 15 SER H H 15 8.085 8.085 7.832 0.253 18905 4474 1 8 . 1 1 16 16 GLU N N 16 120.501 120.501 121.974 -1.473 18905 4475 1 8 . 1 1 16 16 GLU HA H 16 4.664 4.664 4.708 -0.044 18905 4476 1 8 . 1 1 16 16 GLU CA C 16 50.628 50.628 54.428 -3.800 18905 4477 1 8 . 1 1 16 16 GLU CB C 16 36.442 36.442 29.239 7.202 18905 4478 1 8 . 1 1 16 16 GLU H H 16 8.376 8.376 8.448 -0.072 18905 4479 1 8 . 1 1 17 17 PRO CA C 17 65.700 65.700 62.689 3.011 18905 4480 1 8 . 1 1 22 22 ALA N N 22 124.130 124.130 121.763 2.367 18905 4481 1 8 . 1 1 22 22 ALA HA H 22 4.178 4.178 4.489 -0.311 18905 4482 1 8 . 1 1 22 22 ALA CA C 22 49.746 49.746 52.069 -2.323 18905 4483 1 8 . 1 1 22 22 ALA CB C 22 16.789 16.789 19.534 -2.745 18905 4484 1 8 . 1 1 22 22 ALA H H 22 8.096 8.096 8.536 -0.440 18905 4485 1 8 . 1 1 23 23 ASN N N 23 117.516 117.516 119.827 -2.311 18905 4486 1 8 . 1 1 23 23 ASN HA H 23 4.672 4.672 4.986 -0.314 18905 4487 1 8 . 1 1 23 23 ASN C C 23 171.179 171.179 173.279 -2.100 18905 4488 1 8 . 1 1 23 23 ASN CA C 23 50.084 50.084 52.557 -2.473 18905 4489 1 8 . 1 1 23 23 ASN CB C 23 36.737 36.737 43.073 -6.336 18905 4490 1 8 . 1 1 23 23 ASN H H 23 8.037 8.037 8.100 -0.063 18905 4491 1 8 . 1 1 24 24 ASP N N 24 118.387 118.387 120.930 -2.543 18905 4492 1 8 . 1 1 24 24 ASP HA H 24 4.676 4.676 4.702 -0.026 18905 4493 1 8 . 1 1 24 24 ASP CA C 24 50.660 50.660 54.224 -3.564 18905 4494 1 8 . 1 1 24 24 ASP CB C 24 40.670 40.670 41.588 -0.918 18905 4495 1 8 . 1 1 24 24 ASP H H 24 8.198 8.198 8.534 -0.336 18905 4496 1 8 . 1 1 25 25 THR N N 25 114.224 114.224 113.047 1.177 18905 4497 1 8 . 1 1 25 25 THR HA H 25 5.275 5.275 4.696 0.579 18905 4498 1 8 . 1 1 25 25 THR CA C 25 59.162 59.162 62.037 -2.875 18905 4499 1 8 . 1 1 25 25 THR CB C 25 68.849 68.849 72.193 -3.344 18905 4500 1 8 . 1 1 25 25 THR H H 25 8.090 8.090 8.330 -0.240 18905 4501 1 8 . 1 1 26 26 ILE N N 26 126.637 126.637 123.158 3.479 18905 4502 1 8 . 1 1 26 26 ILE HA H 26 4.650 4.650 4.601 0.049 18905 4503 1 8 . 1 1 26 26 ILE C C 26 171.500 171.500 173.676 -2.176 18905 4504 1 8 . 1 1 26 26 ILE CA C 26 56.930 56.930 59.193 -2.263 18905 4505 1 8 . 1 1 26 26 ILE CB C 26 38.159 38.159 40.804 -2.645 18905 4506 1 8 . 1 1 26 26 ILE H H 26 9.314 9.314 8.801 0.513 18905 4507 1 8 . 1 1 27 27 ILE N N 27 126.764 126.764 124.536 2.228 18905 4508 1 8 . 1 1 27 27 ILE HA H 27 4.955 4.955 4.956 -0.001 18905 4509 1 8 . 1 1 27 27 ILE C C 27 171.462 171.462 173.749 -2.287 18905 4510 1 8 . 1 1 27 27 ILE CA C 27 56.909 56.909 59.119 -2.210 18905 4511 1 8 . 1 1 27 27 ILE CB C 27 38.397 38.397 42.571 -4.174 18905 4512 1 8 . 1 1 27 27 ILE H H 27 9.280 9.280 7.911 1.369 18905 4513 1 8 . 1 1 28 28 LEU N N 28 125.666 125.666 125.230 0.436 18905 4514 1 8 . 1 1 28 28 LEU HA H 28 4.858 4.858 5.071 -0.213 18905 4515 1 8 . 1 1 28 28 LEU C C 28 172.714 172.714 176.031 -3.317 18905 4516 1 8 . 1 1 28 28 LEU CA C 28 50.153 50.153 52.805 -2.652 18905 4517 1 8 . 1 1 28 28 LEU CB C 28 39.943 39.943 44.353 -4.410 18905 4518 1 8 . 1 1 28 28 LEU H H 28 8.791 8.791 8.622 0.169 18905 4519 1 8 . 1 1 29 29 ARG N N 29 119.656 119.656 119.617 0.039 18905 4520 1 8 . 1 1 29 29 ARG HA H 29 5.023 5.023 5.151 -0.128 18905 4521 1 8 . 1 1 29 29 ARG C C 29 172.927 172.927 175.995 -3.068 18905 4522 1 8 . 1 1 29 29 ARG CA C 29 51.933 51.933 54.161 -2.228 18905 4523 1 8 . 1 1 29 29 ARG CB C 29 31.298 31.298 33.249 -1.952 18905 4524 1 8 . 1 1 29 29 ARG H H 29 8.742 8.742 8.296 0.446 18905 4525 1 8 . 1 1 30 30 ASN N N 30 115.104 115.104 117.835 -2.731 18905 4526 1 8 . 1 1 30 30 ASN HA H 30 4.319 4.319 4.412 -0.093 18905 4527 1 8 . 1 1 30 30 ASN C C 30 172.025 172.025 173.505 -1.480 18905 4528 1 8 . 1 1 30 30 ASN CA C 30 51.550 51.550 54.052 -2.502 18905 4529 1 8 . 1 1 30 30 ASN CB C 30 35.656 35.656 37.500 -1.844 18905 4530 1 8 . 1 1 30 30 ASN H H 30 8.292 8.292 8.734 -0.442 18905 4531 1 8 . 1 1 31 31 LEU N N 31 113.394 113.394 117.879 -4.485 18905 4532 1 8 . 1 1 31 31 LEU HA H 31 3.915 3.915 4.557 -0.642 18905 4533 1 8 . 1 1 31 31 LEU C C 31 175.815 175.815 175.790 0.025 18905 4534 1 8 . 1 1 31 31 LEU CA C 31 52.148 52.148 53.549 -1.401 18905 4535 1 8 . 1 1 31 31 LEU CB C 31 39.876 39.876 45.051 -5.175 18905 4536 1 8 . 1 1 31 31 LEU H H 31 7.602 7.602 7.398 0.204 18905 4537 1 8 . 1 1 32 32 ASN N N 32 123.357 123.357 118.259 5.098 18905 4538 1 8 . 1 1 32 32 ASN HA H 32 4.476 4.476 5.130 -0.654 18905 4539 1 8 . 1 1 32 32 ASN CA C 32 48.784 48.784 50.705 -1.921 18905 4540 1 8 . 1 1 32 32 ASN CB C 32 36.284 36.284 39.948 -3.664 18905 4541 1 8 . 1 1 32 32 ASN H H 32 9.816 9.816 7.916 1.900 18905 4542 1 8 . 1 1 33 33 PRO HA H 33 4.339 4.339 4.324 0.015 18905 4543 1 8 . 1 1 33 33 PRO CA C 33 61.514 61.514 65.066 -3.552 18905 4544 1 8 . 1 1 33 33 PRO CB C 33 30.320 30.320 31.998 -1.678 18905 4545 1 8 . 1 1 34 34 HIS N N 34 111.187 111.187 112.613 -1.426 18905 4546 1 8 . 1 1 34 34 HIS HA H 34 4.402 4.402 4.680 -0.278 18905 4547 1 8 . 1 1 34 34 HIS CA C 34 53.125 53.125 55.829 -2.704 18905 4548 1 8 . 1 1 34 34 HIS CB C 34 25.760 25.760 30.131 -4.371 18905 4549 1 8 . 1 1 34 34 HIS H H 34 8.856 8.856 8.613 0.243 18905 4550 1 8 . 1 1 35 35 SER N N 35 118.219 118.219 116.783 1.436 18905 4551 1 8 . 1 1 35 35 SER HA H 35 4.718 4.718 4.390 0.328 18905 4552 1 8 . 1 1 35 35 SER CB C 35 60.222 60.222 63.857 -3.635 18905 4553 1 8 . 1 1 35 35 SER H H 35 8.262 8.262 7.598 0.664 18905 4554 1 8 . 1 1 36 36 THR N N 36 114.157 114.157 112.183 1.974 18905 4555 1 8 . 1 1 36 36 THR HA H 36 4.545 4.545 4.727 -0.182 18905 4556 1 8 . 1 1 36 36 THR CA C 36 56.508 56.508 60.618 -4.110 18905 4557 1 8 . 1 1 36 36 THR CB C 36 70.051 70.051 71.418 -1.367 18905 4558 1 8 . 1 1 36 36 THR H H 36 8.451 8.451 8.321 0.130 18905 4559 1 8 . 1 1 37 37 MET N N 37 119.815 119.815 121.537 -1.722 18905 4560 1 8 . 1 1 37 37 MET HA H 37 3.943 3.943 4.125 -0.182 18905 4561 1 8 . 1 1 37 37 MET CA C 37 56.204 56.204 58.943 -2.739 18905 4562 1 8 . 1 1 37 37 MET CB C 37 28.959 28.959 31.464 -2.505 18905 4563 1 8 . 1 1 37 37 MET H H 37 8.928 8.928 8.887 0.041 18905 4564 1 8 . 1 1 38 38 ASP N N 38 115.357 115.357 120.523 -5.166 18905 4565 1 8 . 1 1 38 38 ASP HA H 38 4.301 4.301 4.388 -0.087 18905 4566 1 8 . 1 1 38 38 ASP CA C 38 54.750 54.750 57.885 -3.135 18905 4567 1 8 . 1 1 38 38 ASP CB C 38 37.934 37.934 39.693 -1.759 18905 4568 1 8 . 1 1 38 38 ASP H H 38 8.096 8.096 8.739 -0.643 18905 4569 1 8 . 1 1 39 39 SER N N 39 118.933 118.933 115.722 3.211 18905 4570 1 8 . 1 1 39 39 SER HA H 39 4.253 4.253 4.132 0.121 18905 4571 1 8 . 1 1 39 39 SER C C 39 174.818 174.818 176.264 -1.446 18905 4572 1 8 . 1 1 39 39 SER CA C 39 58.767 58.767 61.745 -2.978 18905 4573 1 8 . 1 1 39 39 SER CB C 39 61.631 61.631 63.085 -1.454 18905 4574 1 8 . 1 1 39 39 SER H H 39 8.088 8.088 7.637 0.451 18905 4575 1 8 . 1 1 40 40 ILE N N 40 124.376 124.376 118.914 5.462 18905 4576 1 8 . 1 1 40 40 ILE HA H 40 3.538 3.538 3.958 -0.420 18905 4577 1 8 . 1 1 40 40 ILE C C 40 174.358 174.358 176.610 -2.252 18905 4578 1 8 . 1 1 40 40 ILE CA C 40 62.936 62.936 63.350 -0.414 18905 4579 1 8 . 1 1 40 40 ILE CB C 40 35.725 35.725 38.165 -2.440 18905 4580 1 8 . 1 1 40 40 ILE H H 40 8.009 8.009 7.872 0.137 18905 4581 1 8 . 1 1 41 41 LEU N N 41 117.914 117.914 120.254 -2.340 18905 4582 1 8 . 1 1 41 41 LEU HA H 41 3.818 3.818 4.087 -0.269 18905 4583 1 8 . 1 1 41 41 LEU C C 41 178.292 178.292 179.242 -0.950 18905 4584 1 8 . 1 1 41 41 LEU CA C 41 55.496 55.496 57.468 -1.972 18905 4585 1 8 . 1 1 41 41 LEU CB C 41 38.574 38.574 41.751 -3.177 18905 4586 1 8 . 1 1 41 41 LEU H H 41 8.574 8.574 7.144 1.430 18905 4587 1 8 . 1 1 42 42 GLY N N 42 105.053 105.053 106.296 -1.243 18905 4588 1 8 . 1 1 42 42 GLY C C 42 173.318 173.318 175.197 -1.879 18905 4589 1 8 . 1 1 42 42 GLY CA C 42 44.283 44.283 46.893 -2.610 18905 4590 1 8 . 1 1 42 42 GLY H H 42 8.207 8.207 8.247 -0.040 18905 4591 1 8 . 1 1 43 43 ALA N N 43 122.411 122.411 122.283 0.128 18905 4592 1 8 . 1 1 43 43 ALA HA H 43 4.245 4.245 4.238 0.007 18905 4593 1 8 . 1 1 43 43 ALA C C 43 176.200 176.200 177.734 -1.534 18905 4594 1 8 . 1 1 43 43 ALA CA C 43 51.148 51.148 53.662 -2.514 18905 4595 1 8 . 1 1 43 43 ALA CB C 43 17.381 17.381 19.431 -2.050 18905 4596 1 8 . 1 1 43 43 ALA H H 43 7.571 7.571 7.472 0.099 18905 4597 1 8 . 1 1 44 44 LEU N N 44 113.121 113.121 115.544 -2.423 18905 4598 1 8 . 1 1 44 44 LEU HA H 44 4.514 4.514 4.695 -0.181 18905 4599 1 8 . 1 1 44 44 LEU C C 44 174.187 174.187 178.151 -3.964 18905 4600 1 8 . 1 1 44 44 LEU CA C 44 52.247 52.247 54.149 -1.902 18905 4601 1 8 . 1 1 44 44 LEU CB C 44 40.210 40.210 43.066 -2.856 18905 4602 1 8 . 1 1 44 44 LEU H H 44 7.533 7.533 7.800 -0.267 18905 4603 1 8 . 1 1 45 45 ALA N N 45 123.574 123.574 125.240 -1.666 18905 4604 1 8 . 1 1 45 45 ALA HA H 45 4.313 4.313 4.221 0.092 18905 4605 1 8 . 1 1 45 45 ALA CA C 45 53.187 53.187 56.195 -3.008 18905 4606 1 8 . 1 1 45 45 ALA CB C 45 14.134 14.134 16.485 -2.351 18905 4607 1 8 . 1 1 45 45 ALA H H 45 7.398 7.398 8.078 -0.680 18905 4608 1 8 . 1 1 46 46 PRO HA H 46 4.043 4.043 4.247 -0.204 18905 4609 1 8 . 1 1 46 46 PRO CA C 46 61.784 61.784 64.581 -2.797 18905 4610 1 8 . 1 1 46 46 PRO CB C 46 27.999 27.999 31.119 -3.120 18905 4611 1 8 . 1 1 47 47 TYR N N 47 114.404 114.404 117.415 -3.011 18905 4612 1 8 . 1 1 47 47 TYR HA H 47 4.527 4.527 4.718 -0.191 18905 4613 1 8 . 1 1 47 47 TYR CA C 47 54.406 54.406 56.372 -1.966 18905 4614 1 8 . 1 1 47 47 TYR CB C 47 37.537 37.537 39.340 -1.803 18905 4615 1 8 . 1 1 47 47 TYR H H 47 7.897 7.897 7.453 0.444 18905 4616 1 8 . 1 1 48 48 ALA N N 48 119.845 119.845 122.667 -2.822 18905 4617 1 8 . 1 1 48 48 ALA HA H 48 4.360 4.360 4.600 -0.240 18905 4618 1 8 . 1 1 48 48 ALA C C 48 171.938 171.938 175.976 -4.038 18905 4619 1 8 . 1 1 48 48 ALA CA C 48 49.129 49.129 51.957 -2.828 18905 4620 1 8 . 1 1 48 48 ALA CB C 48 19.614 19.614 20.273 -0.659 18905 4621 1 8 . 1 1 48 48 ALA H H 48 8.083 8.083 7.357 0.726 18905 4622 1 8 . 1 1 49 49 VAL N N 49 122.528 122.528 124.404 -1.876 18905 4623 1 8 . 1 1 49 49 VAL HA H 49 3.904 3.904 3.961 -0.057 18905 4624 1 8 . 1 1 49 49 VAL C C 49 172.490 172.490 175.765 -3.275 18905 4625 1 8 . 1 1 49 49 VAL CA C 49 60.373 60.373 64.297 -3.924 18905 4626 1 8 . 1 1 49 49 VAL CB C 49 28.257 28.257 29.996 -1.739 18905 4627 1 8 . 1 1 49 49 VAL H H 49 8.414 8.414 8.438 -0.025 18905 4628 1 8 . 1 1 50 50 LEU N N 50 127.924 127.924 122.770 5.154 18905 4629 1 8 . 1 1 50 50 LEU HA H 50 4.650 4.650 4.829 -0.179 18905 4630 1 8 . 1 1 50 50 LEU C C 50 172.488 172.488 175.054 -2.566 18905 4631 1 8 . 1 1 50 50 LEU CA C 50 50.523 50.523 53.918 -3.395 18905 4632 1 8 . 1 1 50 50 LEU CB C 50 42.647 42.647 44.033 -1.386 18905 4633 1 8 . 1 1 50 50 LEU H H 50 7.904 7.904 7.641 0.263 18905 4634 1 8 . 1 1 51 51 SER N N 51 114.999 114.999 112.523 2.476 18905 4635 1 8 . 1 1 51 51 SER HA H 51 4.783 4.783 4.758 0.025 18905 4636 1 8 . 1 1 51 51 SER C C 51 172.827 172.827 174.760 -1.933 18905 4637 1 8 . 1 1 51 51 SER CA C 51 53.708 53.708 57.191 -3.483 18905 4638 1 8 . 1 1 51 51 SER CB C 51 63.424 63.424 65.077 -1.653 18905 4639 1 8 . 1 1 51 51 SER H H 51 8.623 8.623 8.255 0.368 18905 4640 1 8 . 1 1 52 52 SER N N 52 118.355 118.355 117.620 0.735 18905 4641 1 8 . 1 1 52 52 SER HA H 52 4.301 4.301 4.385 -0.084 18905 4642 1 8 . 1 1 52 52 SER C C 52 173.242 173.242 176.121 -2.879 18905 4643 1 8 . 1 1 52 52 SER CA C 52 58.709 58.709 60.075 -1.366 18905 4644 1 8 . 1 1 52 52 SER CB C 52 59.826 59.826 62.917 -3.091 18905 4645 1 8 . 1 1 52 52 SER H H 52 9.117 9.117 8.669 0.448 18905 4646 1 8 . 1 1 53 53 SER N N 53 114.926 114.926 117.899 -2.973 18905 4647 1 8 . 1 1 53 53 SER HA H 53 4.292 4.292 4.274 0.018 18905 4648 1 8 . 1 1 53 53 SER CA C 53 57.882 57.882 61.507 -3.625 18905 4649 1 8 . 1 1 53 53 SER CB C 53 60.220 60.220 63.074 -2.854 18905 4650 1 8 . 1 1 53 53 SER H H 53 8.014 8.014 8.376 -0.362 18905 4651 1 8 . 1 1 54 54 ASN N N 54 116.432 116.432 117.768 -1.336 18905 4652 1 8 . 1 1 54 54 ASN HA H 54 4.914 4.914 4.865 0.049 18905 4653 1 8 . 1 1 54 54 ASN C C 54 170.744 170.744 175.116 -4.372 18905 4654 1 8 . 1 1 54 54 ASN CA C 54 52.054 52.054 54.031 -1.977 18905 4655 1 8 . 1 1 54 54 ASN CB C 54 38.952 38.952 40.091 -1.139 18905 4656 1 8 . 1 1 54 54 ASN H H 54 7.996 7.996 8.095 -0.099 18905 4657 1 8 . 1 1 55 55 VAL N N 55 118.877 118.877 122.116 -3.239 18905 4658 1 8 . 1 1 55 55 VAL HA H 55 4.891 4.891 4.329 0.562 18905 4659 1 8 . 1 1 55 55 VAL C C 55 171.238 171.238 175.834 -4.596 18905 4660 1 8 . 1 1 55 55 VAL CA C 55 58.709 58.709 63.662 -4.953 18905 4661 1 8 . 1 1 55 55 VAL CB C 55 31.652 31.652 30.490 1.162 18905 4662 1 8 . 1 1 55 55 VAL H H 55 7.421 7.421 7.399 0.022 18905 4663 1 8 . 1 1 56 56 ARG N N 56 125.757 125.757 127.861 -2.104 18905 4664 1 8 . 1 1 56 56 ARG HA H 56 4.708 4.708 4.757 -0.049 18905 4665 1 8 . 1 1 56 56 ARG C C 56 172.321 172.321 174.083 -1.762 18905 4666 1 8 . 1 1 56 56 ARG CA C 56 51.878 51.878 54.275 -2.397 18905 4667 1 8 . 1 1 56 56 ARG CB C 56 30.211 30.211 34.796 -4.585 18905 4668 1 8 . 1 1 56 56 ARG H H 56 9.011 9.011 9.004 0.007 18905 4669 1 8 . 1 1 57 57 VAL N N 57 125.646 125.646 121.374 4.272 18905 4670 1 8 . 1 1 57 57 VAL HA H 57 3.878 3.878 4.062 -0.184 18905 4671 1 8 . 1 1 57 57 VAL C C 57 172.129 172.129 174.068 -1.939 18905 4672 1 8 . 1 1 57 57 VAL CA C 57 59.043 59.043 61.090 -2.047 18905 4673 1 8 . 1 1 57 57 VAL CB C 57 30.019 30.019 33.703 -3.684 18905 4674 1 8 . 1 1 57 57 VAL H H 57 8.794 8.794 8.332 0.462 18905 4675 1 8 . 1 1 58 58 ILE N N 58 127.547 127.547 128.735 -1.188 18905 4676 1 8 . 1 1 58 58 ILE HA H 58 4.049 4.049 4.313 -0.264 18905 4677 1 8 . 1 1 58 58 ILE C C 58 172.672 172.672 175.492 -2.820 18905 4678 1 8 . 1 1 58 58 ILE CA C 58 57.246 57.246 59.977 -2.731 18905 4679 1 8 . 1 1 58 58 ILE CB C 58 32.839 32.839 38.146 -5.307 18905 4680 1 8 . 1 1 58 58 ILE H H 58 7.259 7.259 8.036 -0.777 18905 4681 1 8 . 1 1 59 59 LYS N N 59 127.231 127.231 123.234 3.997 18905 4682 1 8 . 1 1 59 59 LYS HA H 59 4.532 4.532 4.767 -0.235 18905 4683 1 8 . 1 1 59 59 LYS C C 59 173.119 173.119 175.375 -2.256 18905 4684 1 8 . 1 1 59 59 LYS CA C 59 52.444 52.444 54.991 -2.547 18905 4685 1 8 . 1 1 59 59 LYS CB C 59 32.374 32.374 34.661 -2.287 18905 4686 1 8 . 1 1 59 59 LYS H H 59 8.571 8.571 8.151 0.420 18905 4687 1 8 . 1 1 60 60 ASP N N 60 123.232 123.232 121.213 2.019 18905 4688 1 8 . 1 1 60 60 ASP HA H 60 4.496 4.496 4.765 -0.269 18905 4689 1 8 . 1 1 60 60 ASP C C 60 174.118 174.118 176.020 -1.902 18905 4690 1 8 . 1 1 60 60 ASP CA C 60 50.786 50.786 52.817 -2.031 18905 4691 1 8 . 1 1 60 60 ASP CB C 60 40.058 40.058 42.366 -2.308 18905 4692 1 8 . 1 1 60 60 ASP H H 60 8.527 8.527 8.251 0.276 18905 4693 1 8 . 1 1 61 61 LYS N N 61 125.977 125.977 120.132 5.845 18905 4694 1 8 . 1 1 61 61 LYS HA H 61 3.918 3.918 4.239 -0.321 18905 4695 1 8 . 1 1 61 61 LYS C C 61 174.696 174.696 177.617 -2.921 18905 4696 1 8 . 1 1 61 61 LYS CA C 61 56.017 56.017 58.298 -2.281 18905 4697 1 8 . 1 1 61 61 LYS CB C 61 29.813 29.813 32.641 -2.828 18905 4698 1 8 . 1 1 61 61 LYS H H 61 8.770 8.770 8.447 0.323 18905 4699 1 8 . 1 1 62 62 GLN N N 62 116.732 116.732 118.358 -1.626 18905 4700 1 8 . 1 1 62 62 GLN HA H 62 4.252 4.252 4.143 0.109 18905 4701 1 8 . 1 1 62 62 GLN C C 62 174.793 174.793 175.990 -1.197 18905 4702 1 8 . 1 1 62 62 GLN CA C 62 55.001 55.001 57.521 -2.520 18905 4703 1 8 . 1 1 62 62 GLN CB C 62 26.516 26.516 28.965 -2.449 18905 4704 1 8 . 1 1 62 62 GLN H H 62 8.538 8.538 8.674 -0.136 18905 4705 1 8 . 1 1 63 63 THR N N 63 108.519 108.519 107.757 0.762 18905 4706 1 8 . 1 1 63 63 THR HA H 63 4.265 4.265 4.498 -0.233 18905 4707 1 8 . 1 1 63 63 THR CA C 63 59.302 59.302 59.582 -0.280 18905 4708 1 8 . 1 1 63 63 THR CB C 63 67.891 67.891 71.339 -3.448 18905 4709 1 8 . 1 1 63 63 THR H H 63 7.882 7.882 7.380 0.502 18905 4710 1 8 . 1 1 64 64 GLN N N 64 113.890 113.890 117.143 -3.253 18905 4711 1 8 . 1 1 64 64 GLN HA H 64 3.829 3.829 4.582 -0.753 18905 4712 1 8 . 1 1 64 64 GLN C C 64 172.129 172.129 174.828 -2.699 18905 4713 1 8 . 1 1 64 64 GLN CA C 64 54.560 54.560 54.648 -0.088 18905 4714 1 8 . 1 1 64 64 GLN CB C 64 23.812 23.812 29.491 -5.679 18905 4715 1 8 . 1 1 64 64 GLN H H 64 8.188 8.188 8.452 -0.264 18905 4716 1 8 . 1 1 65 65 LEU N N 65 119.516 119.516 119.548 -0.032 18905 4717 1 8 . 1 1 65 65 LEU HA H 65 4.463 4.463 4.542 -0.079 18905 4718 1 8 . 1 1 65 65 LEU C C 65 174.174 174.174 175.750 -1.576 18905 4719 1 8 . 1 1 65 65 LEU CA C 65 51.024 51.024 51.952 -0.928 18905 4720 1 8 . 1 1 65 65 LEU CB C 65 39.608 39.608 44.011 -4.402 18905 4721 1 8 . 1 1 65 65 LEU H H 65 7.682 7.682 7.848 -0.166 18905 4722 1 8 . 1 1 66 66 ASN N N 66 117.776 117.776 118.324 -0.548 18905 4723 1 8 . 1 1 66 66 ASN HA H 66 4.958 4.958 4.765 0.193 18905 4724 1 8 . 1 1 66 66 ASN C C 66 171.913 171.913 176.954 -5.041 18905 4725 1 8 . 1 1 66 66 ASN CA C 66 50.440 50.440 53.586 -3.146 18905 4726 1 8 . 1 1 66 66 ASN CB C 66 36.771 36.771 38.718 -1.947 18905 4727 1 8 . 1 1 66 66 ASN H H 66 8.771 8.771 8.148 0.623 18905 4728 1 8 . 1 1 67 67 ARG N N 67 117.508 117.508 123.879 -6.371 18905 4729 1 8 . 1 1 67 67 ARG HA H 67 4.193 4.193 4.273 -0.080 18905 4730 1 8 . 1 1 67 67 ARG CA C 67 53.615 53.615 56.369 -2.754 18905 4731 1 8 . 1 1 67 67 ARG CB C 67 28.137 28.137 30.323 -2.186 18905 4732 1 8 . 1 1 67 67 ARG H H 67 8.313 8.313 8.286 0.027 18905 4733 1 8 . 1 1 68 68 GLY N N 68 107.904 107.904 105.919 1.985 18905 4734 1 8 . 1 1 68 68 GLY CA C 68 42.842 42.842 45.243 -2.401 18905 4735 1 8 . 1 1 68 68 GLY H H 68 9.437 9.437 8.597 0.840 18905 4736 1 8 . 1 1 69 69 PHE N N 69 113.804 113.804 115.467 -1.663 18905 4737 1 8 . 1 1 69 69 PHE HA H 69 5.754 5.754 5.525 0.229 18905 4738 1 8 . 1 1 69 69 PHE C C 69 170.151 170.151 172.716 -2.565 18905 4739 1 8 . 1 1 69 69 PHE CA C 69 51.625 51.625 54.962 -3.337 18905 4740 1 8 . 1 1 69 69 PHE CB C 69 39.587 39.587 41.610 -2.023 18905 4741 1 8 . 1 1 69 69 PHE H H 69 6.750 6.750 7.304 -0.554 18905 4742 1 8 . 1 1 70 70 ALA N N 70 118.965 118.965 119.537 -0.572 18905 4743 1 8 . 1 1 70 70 ALA HA H 70 4.807 4.807 4.367 0.440 18905 4744 1 8 . 1 1 70 70 ALA C C 70 171.693 171.693 174.642 -2.949 18905 4745 1 8 . 1 1 70 70 ALA CA C 70 47.155 47.155 51.161 -4.006 18905 4746 1 8 . 1 1 70 70 ALA CB C 70 21.153 21.153 22.420 -1.267 18905 4747 1 8 . 1 1 70 70 ALA H H 70 8.526 8.526 8.434 0.092 18905 4748 1 8 . 1 1 71 71 PHE N N 71 117.469 117.469 118.268 -0.799 18905 4749 1 8 . 1 1 71 71 PHE HA H 71 5.537 5.537 5.519 0.018 18905 4750 1 8 . 1 1 71 71 PHE C C 71 172.630 172.630 174.104 -1.474 18905 4751 1 8 . 1 1 71 71 PHE CA C 71 52.609 52.609 55.925 -3.316 18905 4752 1 8 . 1 1 71 71 PHE CB C 71 39.675 39.675 44.340 -4.665 18905 4753 1 8 . 1 1 71 71 PHE H H 71 8.824 8.824 8.844 -0.020 18905 4754 1 8 . 1 1 72 72 ILE N N 72 122.867 122.867 121.428 1.439 18905 4755 1 8 . 1 1 72 72 ILE HA H 72 5.022 5.022 4.835 0.187 18905 4756 1 8 . 1 1 72 72 ILE CA C 72 56.881 56.881 60.473 -3.592 18905 4757 1 8 . 1 1 72 72 ILE CB C 72 37.031 37.031 42.326 -5.295 18905 4758 1 8 . 1 1 72 72 ILE H H 72 9.555 9.555 9.036 0.519 18905 4759 1 8 . 1 1 73 73 GLN N N 73 128.422 128.422 126.044 2.378 18905 4760 1 8 . 1 1 73 73 GLN HA H 73 5.170 5.170 4.301 0.869 18905 4761 1 8 . 1 1 73 73 GLN CA C 73 52.252 52.252 56.947 -4.695 18905 4762 1 8 . 1 1 73 73 GLN CB C 73 28.291 28.291 29.573 -1.282 18905 4763 1 8 . 1 1 73 73 GLN H H 73 8.964 8.964 8.593 0.371 18905 4764 1 8 . 1 1 74 74 LEU N N 74 126.707 126.707 125.826 0.881 18905 4765 1 8 . 1 1 74 74 LEU HA H 74 4.789 4.789 4.690 0.099 18905 4766 1 8 . 1 1 74 74 LEU CA C 74 50.617 50.617 54.045 -3.428 18905 4767 1 8 . 1 1 74 74 LEU CB C 74 44.885 44.885 45.010 -0.125 18905 4768 1 8 . 1 1 74 74 LEU H H 74 8.420 8.420 8.519 -0.099 18905 4769 1 8 . 1 1 75 75 SER HA H 75 4.284 4.284 5.202 -0.918 18905 4770 1 8 . 1 1 75 75 SER CA C 75 55.390 55.390 56.565 -1.175 18905 4771 1 8 . 1 1 75 75 SER CB C 75 61.275 61.275 65.123 -3.848 18905 4772 1 8 . 1 1 76 76 THR N N 76 116.193 116.193 115.897 0.296 18905 4773 1 8 . 1 1 76 76 THR HA H 76 3.994 3.994 4.117 -0.123 18905 4774 1 8 . 1 1 76 76 THR C C 76 174.630 174.630 176.796 -2.166 18905 4775 1 8 . 1 1 76 76 THR CA C 76 64.225 64.225 65.670 -1.445 18905 4776 1 8 . 1 1 76 76 THR CB C 76 66.003 66.003 68.582 -2.579 18905 4777 1 8 . 1 1 76 76 THR H H 76 8.614 8.614 8.574 0.040 18905 4778 1 8 . 1 1 77 77 ILE N N 77 120.400 120.400 121.534 -1.134 18905 4779 1 8 . 1 1 77 77 ILE HA H 77 3.911 3.911 3.854 0.057 18905 4780 1 8 . 1 1 77 77 ILE C C 77 175.577 175.577 177.508 -1.931 18905 4781 1 8 . 1 1 77 77 ILE CA C 77 61.264 61.264 64.427 -3.163 18905 4782 1 8 . 1 1 77 77 ILE CB C 77 35.379 35.379 37.488 -2.109 18905 4783 1 8 . 1 1 77 77 ILE H H 77 8.044 8.044 8.180 -0.136 18905 4784 1 8 . 1 1 78 78 GLU N N 78 120.562 120.562 119.661 0.901 18905 4785 1 8 . 1 1 78 78 GLU HA H 78 4.062 4.062 4.057 0.005 18905 4786 1 8 . 1 1 78 78 GLU C C 78 176.596 176.596 178.760 -2.164 18905 4787 1 8 . 1 1 78 78 GLU CA C 78 56.355 56.355 59.510 -3.155 18905 4788 1 8 . 1 1 78 78 GLU CB C 78 27.668 27.668 29.077 -1.409 18905 4789 1 8 . 1 1 78 78 GLU H H 78 7.548 7.548 7.886 -0.338 18905 4790 1 8 . 1 1 79 79 ALA N N 79 122.789 122.789 118.965 3.824 18905 4791 1 8 . 1 1 79 79 ALA HA H 79 3.923 3.923 4.247 -0.324 18905 4792 1 8 . 1 1 79 79 ALA C C 79 175.736 175.736 177.782 -2.046 18905 4793 1 8 . 1 1 79 79 ALA CA C 79 52.649 52.649 53.141 -0.492 18905 4794 1 8 . 1 1 79 79 ALA CB C 79 15.305 15.305 18.428 -3.123 18905 4795 1 8 . 1 1 79 79 ALA H H 79 9.279 9.279 7.917 1.362 18905 4796 1 8 . 1 1 80 80 ALA N N 80 118.643 118.643 121.572 -2.929 18905 4797 1 8 . 1 1 80 80 ALA HA H 80 4.001 4.001 4.220 -0.219 18905 4798 1 8 . 1 1 80 80 ALA C C 80 177.943 177.943 178.625 -0.682 18905 4799 1 8 . 1 1 80 80 ALA CA C 80 52.521 52.521 53.695 -1.174 18905 4800 1 8 . 1 1 80 80 ALA CB C 80 15.281 15.281 20.090 -4.809 18905 4801 1 8 . 1 1 80 80 ALA H H 80 7.688 7.688 7.448 0.240 18905 4802 1 8 . 1 1 81 81 GLN N N 81 116.877 116.877 118.965 -2.088 18905 4803 1 8 . 1 1 81 81 GLN HA H 81 4.015 4.015 4.110 -0.095 18905 4804 1 8 . 1 1 81 81 GLN CA C 81 55.760 55.760 58.279 -2.519 18905 4805 1 8 . 1 1 81 81 GLN CB C 81 25.786 25.786 28.934 -3.148 18905 4806 1 8 . 1 1 81 81 GLN H H 81 7.593 7.593 8.133 -0.540 18905 4807 1 8 . 1 1 82 82 LEU N N 82 119.946 119.946 122.196 -2.250 18905 4808 1 8 . 1 1 82 82 LEU HA H 82 4.121 4.121 3.976 0.145 18905 4809 1 8 . 1 1 82 82 LEU C C 82 175.358 175.358 178.916 -3.558 18905 4810 1 8 . 1 1 82 82 LEU CA C 82 54.781 54.781 57.584 -2.803 18905 4811 1 8 . 1 1 82 82 LEU CB C 82 38.240 38.240 41.644 -3.404 18905 4812 1 8 . 1 1 82 82 LEU H H 82 8.258 8.258 8.319 -0.061 18905 4813 1 8 . 1 1 83 83 LEU N N 83 119.288 119.288 119.120 0.168 18905 4814 1 8 . 1 1 83 83 LEU HA H 83 3.585 3.585 3.876 -0.291 18905 4815 1 8 . 1 1 83 83 LEU C C 83 175.365 175.365 178.381 -3.016 18905 4816 1 8 . 1 1 83 83 LEU CA C 83 56.142 56.142 58.198 -2.056 18905 4817 1 8 . 1 1 83 83 LEU CB C 83 38.875 38.875 41.667 -2.792 18905 4818 1 8 . 1 1 83 83 LEU H H 83 8.407 8.407 8.291 0.116 18905 4819 1 8 . 1 1 84 84 GLN N N 84 115.391 115.391 117.463 -2.072 18905 4820 1 8 . 1 1 84 84 GLN HA H 84 3.878 3.878 4.071 -0.193 18905 4821 1 8 . 1 1 84 84 GLN C C 84 176.472 176.472 177.723 -1.251 18905 4822 1 8 . 1 1 84 84 GLN CA C 84 56.142 56.142 58.134 -1.992 18905 4823 1 8 . 1 1 84 84 GLN CB C 84 25.733 25.733 28.782 -3.049 18905 4824 1 8 . 1 1 84 84 GLN H H 84 7.347 7.347 7.659 -0.312 18905 4825 1 8 . 1 1 85 85 ILE N N 85 119.593 119.593 119.732 -0.139 18905 4826 1 8 . 1 1 85 85 ILE HA H 85 3.607 3.607 3.770 -0.163 18905 4827 1 8 . 1 1 85 85 ILE CA C 85 61.779 61.779 64.013 -2.234 18905 4828 1 8 . 1 1 85 85 ILE CB C 85 35.948 35.948 38.295 -2.347 18905 4829 1 8 . 1 1 85 85 ILE H H 85 7.650 7.650 7.725 -0.075 18905 4830 1 8 . 1 1 86 86 LEU N N 86 116.537 116.537 119.633 -3.096 18905 4831 1 8 . 1 1 86 86 LEU HA H 86 3.757 3.757 4.062 -0.305 18905 4832 1 8 . 1 1 86 86 LEU C C 86 177.610 177.610 179.209 -1.599 18905 4833 1 8 . 1 1 86 86 LEU CA C 86 54.521 54.521 57.154 -2.633 18905 4834 1 8 . 1 1 86 86 LEU CB C 86 39.226 39.226 41.020 -1.794 18905 4835 1 8 . 1 1 86 86 LEU H H 86 8.410 8.410 8.293 0.117 18905 4836 1 8 . 1 1 87 87 GLN N N 87 115.959 115.959 117.168 -1.209 18905 4837 1 8 . 1 1 87 87 GLN HA H 87 4.009 4.009 4.106 -0.097 18905 4838 1 8 . 1 1 87 87 GLN C C 87 174.156 174.156 176.870 -2.714 18905 4839 1 8 . 1 1 87 87 GLN CA C 87 55.735 55.735 57.992 -2.257 18905 4840 1 8 . 1 1 87 87 GLN CB C 87 25.516 25.516 28.126 -2.610 18905 4841 1 8 . 1 1 87 87 GLN H H 87 8.406 8.406 7.978 0.428 18905 4842 1 8 . 1 1 88 88 ALA N N 88 120.044 120.044 120.978 -0.934 18905 4843 1 8 . 1 1 88 88 ALA HA H 88 4.338 4.338 4.379 -0.041 18905 4844 1 8 . 1 1 88 88 ALA C C 88 174.373 174.373 176.568 -2.195 18905 4845 1 8 . 1 1 88 88 ALA CA C 88 48.933 48.933 52.240 -3.308 18905 4846 1 8 . 1 1 88 88 ALA CB C 88 16.681 16.681 19.970 -3.289 18905 4847 1 8 . 1 1 88 88 ALA H H 88 7.110 7.110 7.645 -0.535 18905 4848 1 8 . 1 1 89 89 LEU N N 89 119.696 119.696 117.138 2.558 18905 4849 1 8 . 1 1 89 89 LEU HA H 89 3.929 3.929 4.861 -0.932 18905 4850 1 8 . 1 1 89 89 LEU C C 89 175.387 175.387 175.048 0.339 18905 4851 1 8 . 1 1 89 89 LEU CA C 89 53.364 53.364 54.213 -0.849 18905 4852 1 8 . 1 1 89 89 LEU CB C 89 39.775 39.775 43.943 -4.168 18905 4853 1 8 . 1 1 89 89 LEU H H 89 6.693 6.693 7.589 -0.896 18905 4854 1 8 . 1 1 90 90 HIS N N 90 120.136 120.136 115.671 4.465 18905 4855 1 8 . 1 1 90 90 HIS HA H 90 4.419 4.419 5.033 -0.614 18905 4856 1 8 . 1 1 90 90 HIS CA C 90 50.226 50.226 52.008 -1.782 18905 4857 1 8 . 1 1 90 90 HIS CB C 90 27.853 27.853 29.602 -1.750 18905 4858 1 8 . 1 1 90 90 HIS H H 90 8.299 8.299 8.256 0.043 18905 4859 1 8 . 1 1 91 91 PRO HA H 91 4.367 4.367 4.863 -0.496 18905 4860 1 8 . 1 1 91 91 PRO CA C 91 60.550 60.550 61.758 -1.208 18905 4861 1 8 . 1 1 91 91 PRO CB C 91 29.416 29.416 31.594 -2.178 18905 4862 1 8 . 1 1 92 92 PRO HA H 92 4.815 4.815 4.330 0.485 18905 4863 1 8 . 1 1 92 92 PRO CA C 92 59.812 59.812 64.091 -4.279 18905 4864 1 8 . 1 1 92 92 PRO CB C 92 30.119 30.119 32.434 -2.315 18905 4865 1 8 . 1 1 93 93 LEU N N 93 121.469 121.469 121.495 -0.026 18905 4866 1 8 . 1 1 93 93 LEU HA H 93 3.954 3.954 4.354 -0.401 18905 4867 1 8 . 1 1 93 93 LEU CA C 93 53.500 53.500 55.085 -1.585 18905 4868 1 8 . 1 1 93 93 LEU CB C 93 39.889 39.889 42.512 -2.623 18905 4869 1 8 . 1 1 93 93 LEU H H 93 8.404 8.404 7.779 0.625 18905 4870 1 8 . 1 1 94 94 THR HA H 94 5.276 5.276 4.746 0.530 18905 4871 1 8 . 1 1 94 94 THR CA C 94 57.077 57.077 61.377 -4.300 18905 4872 1 8 . 1 1 94 94 THR CB C 94 69.076 69.076 68.915 0.161 18905 4873 1 8 . 1 1 95 95 ILE N N 95 121.239 121.239 124.603 -3.364 18905 4874 1 8 . 1 1 95 95 ILE HA H 95 4.184 4.184 3.960 0.224 18905 4875 1 8 . 1 1 95 95 ILE CA C 95 58.054 58.054 62.164 -4.110 18905 4876 1 8 . 1 1 95 95 ILE CB C 95 37.534 37.534 38.791 -1.257 18905 4877 1 8 . 1 1 95 95 ILE H H 95 8.317 8.317 8.437 -0.120 18905 4878 1 8 . 1 1 96 96 ASP N N 96 130.909 130.909 125.740 5.169 18905 4879 1 8 . 1 1 96 96 ASP HA H 96 4.292 4.292 4.261 0.031 18905 4880 1 8 . 1 1 96 96 ASP CA C 96 53.001 53.001 55.523 -2.522 18905 4881 1 8 . 1 1 96 96 ASP CB C 96 37.114 37.114 39.357 -2.243 18905 4882 1 8 . 1 1 96 96 ASP H H 96 9.837 9.837 9.002 0.835 18905 4883 1 8 . 1 1 97 97 GLY N N 97 102.578 102.578 103.965 -1.387 18905 4884 1 8 . 1 1 97 97 GLY C C 97 170.992 170.992 173.593 -2.601 18905 4885 1 8 . 1 1 97 97 GLY CA C 97 42.754 42.754 45.413 -2.659 18905 4886 1 8 . 1 1 97 97 GLY H H 97 8.638 8.638 8.111 0.527 18905 4887 1 8 . 1 1 98 98 LYS N N 98 120.330 120.330 120.705 -0.375 18905 4888 1 8 . 1 1 98 98 LYS HA H 98 4.629 4.629 4.691 -0.062 18905 4889 1 8 . 1 1 98 98 LYS C C 98 172.675 172.675 175.528 -2.853 18905 4890 1 8 . 1 1 98 98 LYS CA C 98 50.304 50.304 54.692 -4.388 18905 4891 1 8 . 1 1 98 98 LYS CB C 98 31.136 31.136 33.939 -2.803 18905 4892 1 8 . 1 1 98 98 LYS H H 98 7.440 7.440 7.982 -0.542 18905 4893 1 8 . 1 1 99 99 THR N N 99 119.612 119.612 115.647 3.965 18905 4894 1 8 . 1 1 99 99 THR HA H 99 4.356 4.356 4.559 -0.203 18905 4895 1 8 . 1 1 99 99 THR C C 99 171.511 171.511 173.832 -2.321 18905 4896 1 8 . 1 1 99 99 THR CA C 99 60.382 60.382 59.855 0.527 18905 4897 1 8 . 1 1 99 99 THR CB C 99 65.967 65.967 70.038 -4.071 18905 4898 1 8 . 1 1 99 99 THR H H 99 8.626 8.626 8.334 0.292 18905 4899 1 8 . 1 1 100 100 ILE N N 100 129.389 129.389 125.406 3.983 18905 4900 1 8 . 1 1 100 100 ILE HA H 100 4.358 4.358 4.231 0.127 18905 4901 1 8 . 1 1 100 100 ILE C C 100 172.710 172.710 176.199 -3.489 18905 4902 1 8 . 1 1 100 100 ILE CA C 100 55.202 55.202 60.388 -5.186 18905 4903 1 8 . 1 1 100 100 ILE CB C 100 34.925 34.925 37.932 -3.007 18905 4904 1 8 . 1 1 100 100 ILE H H 100 8.463 8.463 8.485 -0.022 18905 4905 1 8 . 1 1 101 101 ASN N N 101 123.767 123.767 124.890 -1.123 18905 4906 1 8 . 1 1 101 101 ASN HA H 101 4.904 4.904 4.874 0.030 18905 4907 1 8 . 1 1 101 101 ASN C C 101 170.860 170.860 174.989 -4.129 18905 4908 1 8 . 1 1 101 101 ASN CA C 101 49.884 49.884 51.649 -1.765 18905 4909 1 8 . 1 1 101 101 ASN CB C 101 38.364 38.364 40.061 -1.697 18905 4910 1 8 . 1 1 101 101 ASN H H 101 7.878 7.878 8.643 -0.765 18905 4911 1 8 . 1 1 102 102 VAL N N 102 122.207 122.207 116.217 5.990 18905 4912 1 8 . 1 1 102 102 VAL HA H 102 4.933 4.933 4.454 0.479 18905 4913 1 8 . 1 1 102 102 VAL C C 102 175.222 175.222 175.172 0.050 18905 4914 1 8 . 1 1 102 102 VAL CA C 102 57.981 57.981 60.868 -2.888 18905 4915 1 8 . 1 1 102 102 VAL CB C 102 31.183 31.183 34.288 -3.105 18905 4916 1 8 . 1 1 102 102 VAL H H 102 8.503 8.503 8.287 0.216 18905 4917 1 8 . 1 1 103 103 GLU N N 103 124.079 124.079 125.388 -1.309 18905 4918 1 8 . 1 1 103 103 GLU HA H 103 4.557 4.557 4.721 -0.164 18905 4919 1 8 . 1 1 103 103 GLU CA C 103 51.772 51.772 56.062 -4.290 18905 4920 1 8 . 1 1 103 103 GLU CB C 103 31.226 31.226 33.775 -2.549 18905 4921 1 8 . 1 1 103 103 GLU H H 103 8.627 8.627 8.284 0.343 18905 4922 1 8 . 1 1 104 104 PHE N N 104 121.287 121.287 116.961 4.326 18905 4923 1 8 . 1 1 104 104 PHE HA H 104 5.047 5.047 4.916 0.131 18905 4924 1 8 . 1 1 104 104 PHE C C 104 173.023 173.023 173.167 -0.144 18905 4925 1 8 . 1 1 104 104 PHE CA C 104 55.305 55.305 56.094 -0.789 18905 4926 1 8 . 1 1 104 104 PHE CB C 104 38.342 38.342 41.422 -3.079 18905 4927 1 8 . 1 1 104 104 PHE H H 104 8.778 8.778 8.448 0.330 18905 4928 1 8 . 1 1 105 105 ALA N N 105 127.703 127.703 122.723 4.980 18905 4929 1 8 . 1 1 105 105 ALA HA H 105 4.278 4.278 4.340 -0.062 18905 4930 1 8 . 1 1 105 105 ALA C C 105 172.939 172.939 176.281 -3.342 18905 4931 1 8 . 1 1 105 105 ALA CA C 105 48.936 48.936 51.954 -3.018 18905 4932 1 8 . 1 1 105 105 ALA CB C 105 17.822 17.822 20.259 -2.437 18905 4933 1 8 . 1 1 105 105 ALA H H 105 8.630 8.630 8.588 0.042 18905 4934 1 8 . 1 1 106 106 LYS N N 106 121.259 121.259 119.452 1.807 18905 4935 1 8 . 1 1 106 106 LYS HA H 106 4.211 4.211 4.513 -0.302 18905 4936 1 8 . 1 1 106 106 LYS C C 106 174.939 174.939 176.436 -1.497 18905 4937 1 8 . 1 1 106 106 LYS CA C 106 52.995 52.995 55.697 -2.701 18905 4938 1 8 . 1 1 106 106 LYS CB C 106 30.290 30.290 33.047 -2.757 18905 4939 1 8 . 1 1 106 106 LYS H H 106 8.289 8.289 7.384 0.905 18905 4940 1 8 . 1 1 107 107 GLY N N 107 111.965 111.965 107.046 4.919 18905 4941 1 8 . 1 1 107 107 GLY C C 107 171.215 171.215 172.540 -1.325 18905 4942 1 8 . 1 1 107 107 GLY CA C 107 42.651 42.651 44.968 -2.317 18905 4943 1 8 . 1 1 107 107 GLY H H 107 8.921 8.921 8.306 0.615 18905 4944 1 8 . 1 1 108 108 SER N N 108 114.479 114.479 115.435 -0.956 18905 4945 1 8 . 1 1 108 108 SER HA H 108 4.294 4.294 4.562 -0.268 18905 4946 1 8 . 1 1 108 108 SER C C 108 172.040 172.040 173.123 -1.083 18905 4947 1 8 . 1 1 108 108 SER CA C 108 55.336 55.336 57.996 -2.660 18905 4948 1 8 . 1 1 108 108 SER H H 108 8.197 8.197 8.051 0.146 18905 4949 1 8 . 1 1 109 109 LYS N N 109 123.374 123.374 124.972 -1.598 18905 4950 1 8 . 1 1 109 109 LYS HA H 109 4.198 4.198 4.459 -0.261 18905 4951 1 8 . 1 1 109 109 LYS C C 109 173.967 173.967 174.850 -0.883 18905 4952 1 8 . 1 1 109 109 LYS CA C 109 53.730 53.730 56.680 -2.950 18905 4953 1 8 . 1 1 109 109 LYS CB C 109 30.137 30.137 33.059 -2.922 18905 4954 1 8 . 1 1 109 109 LYS H H 109 8.306 8.306 8.487 -0.181 18905 4955 1 8 . 1 1 110 110 ARG N N 110 134.189 134.189 121.908 12.281 18905 4956 1 8 . 1 1 110 110 ARG HA H 110 4.542 4.542 4.256 0.286 18905 4957 1 8 . 1 1 110 110 ARG C C 110 173.119 173.119 175.299 -2.180 18905 4958 1 8 . 1 1 110 110 ARG CA C 110 52.474 52.474 57.406 -4.932 18905 4959 1 8 . 1 1 110 110 ARG CB C 110 32.296 32.296 30.690 1.606 18905 4960 1 8 . 1 1 111 111 ASP N N 111 123.210 123.210 124.616 -1.406 18905 4961 1 8 . 1 1 111 111 ASP HA H 111 4.519 4.519 4.885 -0.366 18905 4962 1 8 . 1 1 111 111 ASP C C 111 174.187 174.187 175.081 -0.894 18905 4963 1 8 . 1 1 111 111 ASP CA C 111 52.307 52.307 53.777 -1.470 18905 4964 1 8 . 1 1 111 111 ASP CB C 111 40.206 40.206 42.657 -2.451 18905 4965 1 8 . 1 1 111 111 ASP H H 111 8.523 8.523 8.448 0.075 18905 4966 1 8 . 1 1 112 112 MET HA H 112 4.330 4.330 5.138 -0.808 18905 4967 1 8 . 1 1 112 112 MET CA C 112 53.074 53.074 54.621 -1.548 18905 4968 1 8 . 1 1 112 112 MET CB C 112 30.057 30.057 35.046 -4.989 18905 4969 1 8 . 1 1 113 113 ALA N N 113 124.061 124.061 124.122 -0.061 18905 4970 1 8 . 1 1 113 113 ALA HA H 113 4.229 4.229 5.189 -0.960 18905 4971 1 8 . 1 1 113 113 ALA C C 113 175.243 175.243 175.563 -0.320 18905 4972 1 8 . 1 1 113 113 ALA CA C 113 49.967 49.967 51.711 -1.744 18905 4973 1 8 . 1 1 113 113 ALA CB C 113 16.436 16.436 21.784 -5.348 18905 4974 1 8 . 1 1 113 113 ALA H H 113 8.214 8.214 8.956 -0.742 18905 4975 1 8 . 1 1 114 114 SER N N 114 114.286 114.286 115.792 -1.506 18905 4976 1 8 . 1 1 114 114 SER HA H 114 4.376 4.376 4.957 -0.581 18905 4977 1 8 . 1 1 114 114 SER CA C 114 55.596 55.596 57.640 -2.044 18905 4978 1 8 . 1 1 114 114 SER CB C 114 61.009 61.009 64.269 -3.260 18905 4979 1 8 . 1 1 114 114 SER H H 114 8.124 8.124 8.744 -0.620 18905 4980 1 8 . 1 1 119 119 ARG N N 119 122.813 122.813 120.260 2.553 18905 4981 1 8 . 1 1 119 119 ARG HA H 119 4.294 4.294 4.525 -0.231 18905 4982 1 8 . 1 1 119 119 ARG C C 119 173.654 173.654 174.446 -0.792 18905 4983 1 8 . 1 1 119 119 ARG CA C 119 53.701 53.701 56.329 -2.628 18905 4984 1 8 . 1 1 119 119 ARG CB C 119 28.140 28.140 29.942 -1.802 18905 4985 1 8 . 1 1 119 119 ARG H H 119 8.246 8.246 8.257 -0.011 18905 4986 1 8 . 1 1 120 120 ILE N N 120 121.624 121.624 121.079 0.545 18905 4987 1 8 . 1 1 120 120 ILE HA H 120 4.099 4.099 4.629 -0.530 18905 4988 1 8 . 1 1 120 120 ILE C C 120 173.651 173.651 175.123 -1.472 18905 4989 1 8 . 1 1 120 120 ILE CA C 120 58.593 58.593 59.465 -0.872 18905 4990 1 8 . 1 1 120 120 ILE CB C 120 36.091 36.091 40.011 -3.921 18905 4991 1 8 . 1 1 120 120 ILE H H 120 8.084 8.084 8.110 -0.026 18905 4992 1 8 . 1 1 121 121 SER N N 121 119.953 119.953 117.978 1.975 18905 4993 1 8 . 1 1 121 121 SER HA H 121 4.378 4.378 4.648 -0.270 18905 4994 1 8 . 1 1 121 121 SER C C 121 170.780 170.780 174.422 -3.642 18905 4995 1 8 . 1 1 121 121 SER CA C 121 55.506 55.506 58.075 -2.569 18905 4996 1 8 . 1 1 121 121 SER CB C 121 61.571 61.571 63.272 -1.700 18905 4997 1 8 . 1 1 121 121 SER H H 121 8.300 8.300 8.371 -0.071 18905 4998 1 8 . 1 1 123 123 ALA N N 123 119.892 119.892 121.730 -1.838 18905 4999 1 8 . 1 1 123 123 ALA HA H 123 4.102 4.102 4.392 -0.290 18905 5000 1 8 . 1 1 123 123 ALA CA C 123 58.473 58.473 52.908 5.565 18905 5001 1 8 . 1 1 123 123 ALA H H 123 8.305 8.305 8.566 -0.261 18905 5002 1 8 . 1 1 124 124 SER N N 124 122.264 122.264 112.484 9.780 18905 5003 1 8 . 1 1 124 124 SER HA H 124 4.384 4.384 4.785 -0.401 18905 5004 1 8 . 1 1 124 124 SER CA C 124 55.632 55.632 57.981 -2.349 18905 5005 1 8 . 1 1 124 124 SER CB C 124 60.925 60.925 64.545 -3.620 18905 5006 1 8 . 1 1 124 124 SER H H 124 8.353 8.353 7.809 0.544 18905 5007 1 8 . 1 1 125 125 VAL N N 125 121.433 121.433 121.779 -0.346 18905 5008 1 8 . 1 1 125 125 VAL HA H 125 4.073 4.073 4.411 -0.338 18905 5009 1 8 . 1 1 125 125 VAL C C 125 173.240 173.240 174.118 -0.878 18905 5010 1 8 . 1 1 125 125 VAL CA C 125 59.588 59.588 62.438 -2.850 18905 5011 1 8 . 1 1 125 125 VAL CB C 125 30.198 30.198 33.854 -3.656 18905 5012 1 8 . 1 1 125 125 VAL H H 125 8.014 8.014 8.122 -0.108 18905 5013 1 8 . 1 1 126 126 ALA N N 126 127.185 127.185 130.066 -2.881 18905 5014 1 8 . 1 1 126 126 ALA HA H 126 4.278 4.278 4.833 -0.555 18905 5015 1 8 . 1 1 126 126 ALA C C 126 175.118 175.118 176.082 -0.964 18905 5016 1 8 . 1 1 126 126 ALA CA C 126 49.919 49.919 51.977 -2.058 18905 5017 1 8 . 1 1 126 126 ALA CB C 126 16.532 16.532 19.676 -3.144 18905 5018 1 8 . 1 1 126 126 ALA H H 126 8.277 8.277 8.360 -0.083 18905 5019 1 8 . 1 1 127 127 SER N N 127 115.148 115.148 116.457 -1.309 18905 5020 1 8 . 1 1 127 127 SER HA H 127 4.420 4.420 4.655 -0.235 18905 5021 1 8 . 1 1 127 127 SER C C 127 172.168 172.168 174.446 -2.278 18905 5022 1 8 . 1 1 127 127 SER CA C 127 55.770 55.770 58.102 -2.333 18905 5023 1 8 . 1 1 127 127 SER CB C 127 58.992 58.992 64.212 -5.220 18905 5024 1 8 . 1 1 127 127 SER H H 127 8.249 8.249 8.678 -0.429 18905 5025 1 8 . 1 1 128 128 THR N N 128 115.498 115.498 117.358 -1.860 18905 5026 1 8 . 1 1 128 128 THR C C 128 171.392 171.392 172.618 -1.226 18905 5027 1 8 . 1 1 128 128 THR CA C 128 59.083 59.083 61.975 -2.892 18905 5028 1 8 . 1 1 128 128 THR H H 128 8.050 8.050 7.642 0.408 18905 5029 1 8 . 1 1 129 129 ALA N N 129 126.543 126.543 127.494 -0.951 18905 5030 1 8 . 1 1 129 129 ALA HA H 129 4.236 4.236 4.759 -0.523 18905 5031 1 8 . 1 1 129 129 ALA C C 129 174.650 174.650 176.014 -1.364 18905 5032 1 8 . 1 1 129 129 ALA CA C 129 49.794 49.794 52.209 -2.415 18905 5033 1 8 . 1 1 129 129 ALA CB C 129 16.538 16.538 19.601 -3.063 18905 5034 1 8 . 1 1 129 129 ALA H H 129 8.160 8.160 8.277 -0.117 18905 5035 1 8 . 1 1 130 130 ILE N N 130 120.371 120.371 121.129 -0.758 18905 5036 1 8 . 1 1 130 130 ILE HA H 130 4.099 4.099 5.045 -0.946 18905 5037 1 8 . 1 1 130 130 ILE C C 130 173.651 173.651 175.077 -1.426 18905 5038 1 8 . 1 1 130 130 ILE CA C 130 58.513 58.513 60.581 -2.068 18905 5039 1 8 . 1 1 130 130 ILE CB C 130 36.091 36.091 40.340 -4.249 18905 5040 1 8 . 1 1 130 130 ILE H H 130 8.043 8.043 8.754 -0.711 18905 5041 1 9 . 1 1 4 4 GLY N N 4 110.117 110.117 110.381 -0.264 18905 5042 1 9 . 1 1 4 4 GLY C C 4 171.413 171.413 172.867 -1.454 18905 5043 1 9 . 1 1 4 4 GLY CA C 4 42.667 42.667 44.624 -1.957 18905 5044 1 9 . 1 1 4 4 GLY H H 4 8.391 8.391 8.484 -0.093 18905 5045 1 9 . 1 1 5 5 VAL N N 5 119.501 119.501 121.438 -1.937 18905 5046 1 9 . 1 1 5 5 VAL HA H 5 4.018 4.018 4.525 -0.507 18905 5047 1 9 . 1 1 5 5 VAL C C 5 173.738 173.738 175.211 -1.473 18905 5048 1 9 . 1 1 5 5 VAL CA C 5 59.923 59.923 61.637 -1.714 18905 5049 1 9 . 1 1 5 5 VAL CB C 5 30.111 30.111 33.022 -2.911 18905 5050 1 9 . 1 1 5 5 VAL H H 5 7.951 7.951 8.245 -0.294 18905 5051 1 9 . 1 1 6 6 LEU N N 6 125.484 125.484 127.243 -1.759 18905 5052 1 9 . 1 1 6 6 LEU HA H 6 4.280 4.280 4.579 -0.299 18905 5053 1 9 . 1 1 6 6 LEU C C 6 174.708 174.708 175.541 -0.833 18905 5054 1 9 . 1 1 6 6 LEU CA C 6 52.535 52.535 54.401 -1.866 18905 5055 1 9 . 1 1 6 6 LEU CB C 6 39.586 39.586 42.779 -3.193 18905 5056 1 9 . 1 1 6 6 LEU H H 6 8.248 8.248 8.468 -0.220 18905 5057 1 9 . 1 1 7 7 ALA N N 7 124.939 124.939 122.761 2.178 18905 5058 1 9 . 1 1 7 7 ALA HA H 7 4.234 4.234 4.979 -0.745 18905 5059 1 9 . 1 1 7 7 ALA C C 7 174.865 174.865 176.884 -2.019 18905 5060 1 9 . 1 1 7 7 ALA CA C 7 50.136 50.136 51.709 -1.573 18905 5061 1 9 . 1 1 7 7 ALA CB C 7 16.500 16.500 20.751 -4.251 18905 5062 1 9 . 1 1 7 7 ALA H H 7 8.241 8.241 7.704 0.537 18905 5063 1 9 . 1 1 8 8 SER N N 8 117.901 117.901 115.611 2.290 18905 5064 1 9 . 1 1 8 8 SER HA H 8 4.377 4.377 4.419 -0.042 18905 5065 1 9 . 1 1 8 8 SER C C 8 172.221 172.221 173.565 -1.344 18905 5066 1 9 . 1 1 8 8 SER CA C 8 56.008 56.008 58.772 -2.764 18905 5067 1 9 . 1 1 8 8 SER CB C 8 61.008 61.008 63.670 -2.662 18905 5068 1 9 . 1 1 8 8 SER H H 8 8.347 8.347 8.590 -0.243 18905 5069 1 9 . 1 1 9 9 GLN N N 9 122.019 122.019 121.942 0.077 18905 5070 1 9 . 1 1 9 9 GLN HA H 9 4.302 4.302 4.422 -0.120 18905 5071 1 9 . 1 1 9 9 GLN C C 9 173.160 173.160 174.947 -1.787 18905 5072 1 9 . 1 1 9 9 GLN CA C 9 53.470 53.470 55.647 -2.177 18905 5073 1 9 . 1 1 9 9 GLN CB C 9 26.663 26.663 28.474 -1.811 18905 5074 1 9 . 1 1 9 9 GLN H H 9 8.240 8.240 8.118 0.122 18905 5075 1 9 . 1 1 10 10 ALA N N 10 124.490 124.490 127.398 -2.908 18905 5076 1 9 . 1 1 10 10 ALA HA H 10 4.238 4.238 4.806 -0.568 18905 5077 1 9 . 1 1 10 10 ALA C C 10 175.142 175.142 176.086 -0.944 18905 5078 1 9 . 1 1 10 10 ALA CA C 10 50.121 50.121 51.876 -1.755 18905 5079 1 9 . 1 1 10 10 ALA CB C 10 16.322 16.322 20.547 -4.225 18905 5080 1 9 . 1 1 10 10 ALA H H 10 8.132 8.132 8.466 -0.334 18905 5081 1 9 . 1 1 11 11 LEU N N 11 120.785 120.785 121.821 -1.036 18905 5082 1 9 . 1 1 11 11 LEU HA H 11 4.278 4.278 4.702 -0.424 18905 5083 1 9 . 1 1 11 11 LEU C C 11 174.929 174.929 175.981 -1.052 18905 5084 1 9 . 1 1 11 11 LEU CA C 11 52.612 52.612 54.823 -2.211 18905 5085 1 9 . 1 1 11 11 LEU CB C 11 39.647 39.647 44.190 -4.543 18905 5086 1 9 . 1 1 11 11 LEU H H 11 8.088 8.088 8.432 -0.344 18905 5087 1 9 . 1 1 12 12 SER N N 12 116.121 116.121 118.789 -2.668 18905 5088 1 9 . 1 1 12 12 SER C C 12 171.977 171.977 172.738 -0.761 18905 5089 1 9 . 1 1 12 12 SER CA C 12 55.621 55.621 57.938 -2.317 18905 5090 1 9 . 1 1 12 12 SER CB C 12 56.041 56.041 63.959 -7.918 18905 5091 1 9 . 1 1 12 12 SER H H 12 8.170 8.170 8.496 -0.326 18905 5092 1 9 . 1 1 13 13 GLN N N 13 122.139 122.139 122.304 -0.165 18905 5093 1 9 . 1 1 13 13 GLN HA H 13 4.312 4.312 4.529 -0.217 18905 5094 1 9 . 1 1 13 13 GLN CA C 13 54.059 54.059 56.203 -2.144 18905 5095 1 9 . 1 1 13 13 GLN H H 13 8.368 8.368 8.276 0.092 18905 5096 1 9 . 1 1 14 14 GLY N N 14 109.259 109.259 109.976 -0.717 18905 5097 1 9 . 1 1 14 14 GLY CA C 14 42.970 42.970 45.081 -2.111 18905 5098 1 9 . 1 1 14 14 GLY H H 14 8.378 8.378 8.615 -0.237 18905 5099 1 9 . 1 1 15 15 SER N N 15 115.486 115.486 113.505 1.981 18905 5100 1 9 . 1 1 15 15 SER HA H 15 4.378 4.378 4.819 -0.441 18905 5101 1 9 . 1 1 15 15 SER CA C 15 55.853 55.853 57.698 -1.845 18905 5102 1 9 . 1 1 15 15 SER CB C 15 59.406 59.406 66.557 -7.151 18905 5103 1 9 . 1 1 15 15 SER H H 15 8.085 8.085 8.468 -0.383 18905 5104 1 9 . 1 1 16 16 GLU N N 16 120.501 120.501 121.387 -0.886 18905 5105 1 9 . 1 1 16 16 GLU HA H 16 4.664 4.664 4.724 -0.060 18905 5106 1 9 . 1 1 16 16 GLU CA C 16 50.628 50.628 54.614 -3.986 18905 5107 1 9 . 1 1 16 16 GLU CB C 16 36.442 36.442 29.645 6.797 18905 5108 1 9 . 1 1 16 16 GLU H H 16 8.376 8.376 8.573 -0.197 18905 5109 1 9 . 1 1 17 17 PRO CA C 17 65.700 65.700 62.495 3.205 18905 5110 1 9 . 1 1 22 22 ALA N N 22 124.130 124.130 125.057 -0.927 18905 5111 1 9 . 1 1 22 22 ALA HA H 22 4.178 4.178 4.544 -0.366 18905 5112 1 9 . 1 1 22 22 ALA CA C 22 49.746 49.746 51.745 -1.999 18905 5113 1 9 . 1 1 22 22 ALA CB C 22 16.789 16.789 21.771 -4.982 18905 5114 1 9 . 1 1 22 22 ALA H H 22 8.096 8.096 8.367 -0.271 18905 5115 1 9 . 1 1 23 23 ASN N N 23 117.516 117.516 117.405 0.111 18905 5116 1 9 . 1 1 23 23 ASN HA H 23 4.672 4.672 4.983 -0.311 18905 5117 1 9 . 1 1 23 23 ASN C C 23 171.179 171.179 172.874 -1.695 18905 5118 1 9 . 1 1 23 23 ASN CA C 23 50.084 50.084 52.191 -2.107 18905 5119 1 9 . 1 1 23 23 ASN CB C 23 36.737 36.737 40.133 -3.396 18905 5120 1 9 . 1 1 23 23 ASN H H 23 8.037 8.037 8.471 -0.434 18905 5121 1 9 . 1 1 24 24 ASP N N 24 118.387 118.387 118.677 -0.290 18905 5122 1 9 . 1 1 24 24 ASP HA H 24 4.676 4.676 4.980 -0.304 18905 5123 1 9 . 1 1 24 24 ASP CA C 24 50.660 50.660 53.871 -3.212 18905 5124 1 9 . 1 1 24 24 ASP CB C 24 40.670 40.670 43.867 -3.197 18905 5125 1 9 . 1 1 24 24 ASP H H 24 8.198 8.198 8.520 -0.322 18905 5126 1 9 . 1 1 25 25 THR N N 25 114.224 114.224 114.195 0.029 18905 5127 1 9 . 1 1 25 25 THR HA H 25 5.275 5.275 4.819 0.456 18905 5128 1 9 . 1 1 25 25 THR CA C 25 59.162 59.162 62.151 -2.989 18905 5129 1 9 . 1 1 25 25 THR CB C 25 68.849 68.849 72.727 -3.878 18905 5130 1 9 . 1 1 25 25 THR H H 25 8.090 8.090 8.154 -0.064 18905 5131 1 9 . 1 1 26 26 ILE N N 26 126.637 126.637 122.218 4.419 18905 5132 1 9 . 1 1 26 26 ILE HA H 26 4.650 4.650 4.534 0.116 18905 5133 1 9 . 1 1 26 26 ILE C C 26 171.500 171.500 174.068 -2.568 18905 5134 1 9 . 1 1 26 26 ILE CA C 26 56.930 56.930 60.613 -3.683 18905 5135 1 9 . 1 1 26 26 ILE CB C 26 38.159 38.159 41.751 -3.592 18905 5136 1 9 . 1 1 26 26 ILE H H 26 9.314 9.314 8.745 0.569 18905 5137 1 9 . 1 1 27 27 ILE N N 27 126.764 126.764 124.181 2.583 18905 5138 1 9 . 1 1 27 27 ILE HA H 27 4.955 4.955 4.793 0.162 18905 5139 1 9 . 1 1 27 27 ILE C C 27 171.462 171.462 173.721 -2.259 18905 5140 1 9 . 1 1 27 27 ILE CA C 27 56.909 56.909 59.276 -2.367 18905 5141 1 9 . 1 1 27 27 ILE CB C 27 38.397 38.397 42.228 -3.831 18905 5142 1 9 . 1 1 27 27 ILE H H 27 9.280 9.280 8.239 1.041 18905 5143 1 9 . 1 1 28 28 LEU N N 28 125.666 125.666 128.241 -2.575 18905 5144 1 9 . 1 1 28 28 LEU HA H 28 4.858 4.858 4.632 0.226 18905 5145 1 9 . 1 1 28 28 LEU C C 28 172.714 172.714 176.563 -3.849 18905 5146 1 9 . 1 1 28 28 LEU CA C 28 50.153 50.153 53.409 -3.256 18905 5147 1 9 . 1 1 28 28 LEU CB C 28 39.943 39.943 41.721 -1.778 18905 5148 1 9 . 1 1 28 28 LEU H H 28 8.791 8.791 8.764 0.027 18905 5149 1 9 . 1 1 29 29 ARG N N 29 119.656 119.656 120.582 -0.926 18905 5150 1 9 . 1 1 29 29 ARG HA H 29 5.023 5.023 4.748 0.275 18905 5151 1 9 . 1 1 29 29 ARG C C 29 172.927 172.927 175.752 -2.825 18905 5152 1 9 . 1 1 29 29 ARG CA C 29 51.933 51.933 54.498 -2.565 18905 5153 1 9 . 1 1 29 29 ARG CB C 29 31.298 31.298 33.419 -2.121 18905 5154 1 9 . 1 1 29 29 ARG H H 29 8.742 8.742 7.844 0.898 18905 5155 1 9 . 1 1 30 30 ASN N N 30 115.104 115.104 117.294 -2.190 18905 5156 1 9 . 1 1 30 30 ASN HA H 30 4.319 4.319 4.431 -0.112 18905 5157 1 9 . 1 1 30 30 ASN C C 30 172.025 172.025 173.710 -1.685 18905 5158 1 9 . 1 1 30 30 ASN CA C 30 51.550 51.550 54.144 -2.594 18905 5159 1 9 . 1 1 30 30 ASN CB C 30 35.656 35.656 37.531 -1.875 18905 5160 1 9 . 1 1 30 30 ASN H H 30 8.292 8.292 8.815 -0.523 18905 5161 1 9 . 1 1 31 31 LEU N N 31 113.394 113.394 118.194 -4.800 18905 5162 1 9 . 1 1 31 31 LEU HA H 31 3.915 3.915 4.572 -0.657 18905 5163 1 9 . 1 1 31 31 LEU C C 31 175.815 175.815 175.787 0.028 18905 5164 1 9 . 1 1 31 31 LEU CA C 31 52.148 52.148 53.569 -1.421 18905 5165 1 9 . 1 1 31 31 LEU CB C 31 39.876 39.876 45.096 -5.220 18905 5166 1 9 . 1 1 31 31 LEU H H 31 7.602 7.602 7.582 0.020 18905 5167 1 9 . 1 1 32 32 ASN N N 32 123.357 123.357 116.747 6.610 18905 5168 1 9 . 1 1 32 32 ASN HA H 32 4.476 4.476 5.115 -0.639 18905 5169 1 9 . 1 1 32 32 ASN CA C 32 48.784 48.784 50.996 -2.212 18905 5170 1 9 . 1 1 32 32 ASN CB C 32 36.284 36.284 40.501 -4.217 18905 5171 1 9 . 1 1 32 32 ASN H H 32 9.816 9.816 8.369 1.447 18905 5172 1 9 . 1 1 33 33 PRO HA H 33 4.339 4.339 4.637 -0.298 18905 5173 1 9 . 1 1 33 33 PRO CA C 33 61.514 61.514 65.252 -3.739 18905 5174 1 9 . 1 1 33 33 PRO CB C 33 30.320 30.320 32.224 -1.904 18905 5175 1 9 . 1 1 34 34 HIS N N 34 111.187 111.187 114.066 -2.879 18905 5176 1 9 . 1 1 34 34 HIS HA H 34 4.402 4.402 4.552 -0.150 18905 5177 1 9 . 1 1 34 34 HIS CA C 34 53.125 53.125 56.443 -3.318 18905 5178 1 9 . 1 1 34 34 HIS CB C 34 25.760 25.760 29.360 -3.600 18905 5179 1 9 . 1 1 34 34 HIS H H 34 8.856 8.856 8.479 0.377 18905 5180 1 9 . 1 1 35 35 SER N N 35 118.219 118.219 114.797 3.422 18905 5181 1 9 . 1 1 35 35 SER HA H 35 4.718 4.718 4.443 0.275 18905 5182 1 9 . 1 1 35 35 SER CB C 35 60.222 60.222 64.290 -4.069 18905 5183 1 9 . 1 1 35 35 SER H H 35 8.262 8.262 7.746 0.516 18905 5184 1 9 . 1 1 36 36 THR N N 36 114.157 114.157 111.177 2.980 18905 5185 1 9 . 1 1 36 36 THR HA H 36 4.545 4.545 4.667 -0.122 18905 5186 1 9 . 1 1 36 36 THR CA C 36 56.508 56.508 60.756 -4.248 18905 5187 1 9 . 1 1 36 36 THR CB C 36 70.051 70.051 71.848 -1.797 18905 5188 1 9 . 1 1 36 36 THR H H 36 8.451 8.451 8.405 0.046 18905 5189 1 9 . 1 1 37 37 MET N N 37 119.815 119.815 124.103 -4.288 18905 5190 1 9 . 1 1 37 37 MET HA H 37 3.943 3.943 3.992 -0.049 18905 5191 1 9 . 1 1 37 37 MET CA C 37 56.204 56.204 59.511 -3.307 18905 5192 1 9 . 1 1 37 37 MET CB C 37 28.959 28.959 32.743 -3.784 18905 5193 1 9 . 1 1 37 37 MET H H 37 8.928 8.928 8.829 0.099 18905 5194 1 9 . 1 1 38 38 ASP N N 38 115.357 115.357 118.253 -2.896 18905 5195 1 9 . 1 1 38 38 ASP HA H 38 4.301 4.301 4.415 -0.114 18905 5196 1 9 . 1 1 38 38 ASP CA C 38 54.750 54.750 57.811 -3.061 18905 5197 1 9 . 1 1 38 38 ASP CB C 38 37.934 37.934 40.451 -2.517 18905 5198 1 9 . 1 1 38 38 ASP H H 38 8.096 8.096 8.858 -0.762 18905 5199 1 9 . 1 1 39 39 SER N N 39 118.933 118.933 116.992 1.941 18905 5200 1 9 . 1 1 39 39 SER HA H 39 4.253 4.253 4.170 0.083 18905 5201 1 9 . 1 1 39 39 SER C C 39 174.818 174.818 175.952 -1.134 18905 5202 1 9 . 1 1 39 39 SER CA C 39 58.767 58.767 61.412 -2.645 18905 5203 1 9 . 1 1 39 39 SER CB C 39 61.631 61.631 62.991 -1.360 18905 5204 1 9 . 1 1 39 39 SER H H 39 8.088 8.088 7.730 0.358 18905 5205 1 9 . 1 1 40 40 ILE N N 40 124.376 124.376 118.853 5.523 18905 5206 1 9 . 1 1 40 40 ILE HA H 40 3.538 3.538 4.138 -0.600 18905 5207 1 9 . 1 1 40 40 ILE C C 40 174.358 174.358 176.280 -1.922 18905 5208 1 9 . 1 1 40 40 ILE CA C 40 62.936 62.936 62.457 0.479 18905 5209 1 9 . 1 1 40 40 ILE CB C 40 35.725 35.725 38.328 -2.603 18905 5210 1 9 . 1 1 40 40 ILE H H 40 8.009 8.009 7.924 0.085 18905 5211 1 9 . 1 1 41 41 LEU N N 41 117.914 117.914 119.044 -1.130 18905 5212 1 9 . 1 1 41 41 LEU HA H 41 3.818 3.818 4.532 -0.714 18905 5213 1 9 . 1 1 41 41 LEU C C 41 178.292 178.292 177.694 0.598 18905 5214 1 9 . 1 1 41 41 LEU CA C 41 55.496 55.496 55.128 0.368 18905 5215 1 9 . 1 1 41 41 LEU CB C 41 38.574 38.574 42.674 -4.100 18905 5216 1 9 . 1 1 41 41 LEU H H 41 8.574 8.574 7.611 0.963 18905 5217 1 9 . 1 1 42 42 GLY N N 42 105.053 105.053 106.560 -1.507 18905 5218 1 9 . 1 1 42 42 GLY C C 42 173.318 173.318 173.839 -0.521 18905 5219 1 9 . 1 1 42 42 GLY CA C 42 44.283 44.283 44.949 -0.666 18905 5220 1 9 . 1 1 42 42 GLY H H 42 8.207 8.207 7.709 0.498 18905 5221 1 9 . 1 1 43 43 ALA N N 43 122.411 122.411 122.256 0.155 18905 5222 1 9 . 1 1 43 43 ALA HA H 43 4.245 4.245 4.627 -0.382 18905 5223 1 9 . 1 1 43 43 ALA C C 43 176.200 176.200 177.036 -0.836 18905 5224 1 9 . 1 1 43 43 ALA CA C 43 51.148 51.148 52.689 -1.541 18905 5225 1 9 . 1 1 43 43 ALA CB C 43 17.381 17.381 19.743 -2.362 18905 5226 1 9 . 1 1 43 43 ALA H H 43 7.571 7.571 7.806 -0.235 18905 5227 1 9 . 1 1 44 44 LEU N N 44 113.121 113.121 118.157 -5.036 18905 5228 1 9 . 1 1 44 44 LEU HA H 44 4.514 4.514 4.852 -0.338 18905 5229 1 9 . 1 1 44 44 LEU C C 44 174.187 174.187 178.281 -4.094 18905 5230 1 9 . 1 1 44 44 LEU CA C 44 52.247 52.247 54.430 -2.183 18905 5231 1 9 . 1 1 44 44 LEU CB C 44 40.210 40.210 41.455 -1.245 18905 5232 1 9 . 1 1 44 44 LEU H H 44 7.533 7.533 8.110 -0.577 18905 5233 1 9 . 1 1 45 45 ALA N N 45 123.574 123.574 124.841 -1.267 18905 5234 1 9 . 1 1 45 45 ALA HA H 45 4.313 4.313 4.128 0.185 18905 5235 1 9 . 1 1 45 45 ALA CA C 45 53.187 53.187 56.161 -2.974 18905 5236 1 9 . 1 1 45 45 ALA CB C 45 14.134 14.134 16.326 -2.192 18905 5237 1 9 . 1 1 45 45 ALA H H 45 7.398 7.398 8.449 -1.051 18905 5238 1 9 . 1 1 46 46 PRO HA H 46 4.043 4.043 4.213 -0.170 18905 5239 1 9 . 1 1 46 46 PRO CA C 46 61.784 61.784 64.177 -2.393 18905 5240 1 9 . 1 1 46 46 PRO CB C 46 27.999 27.999 31.175 -3.176 18905 5241 1 9 . 1 1 47 47 TYR N N 47 114.404 114.404 117.553 -3.149 18905 5242 1 9 . 1 1 47 47 TYR HA H 47 4.527 4.527 4.764 -0.237 18905 5243 1 9 . 1 1 47 47 TYR CA C 47 54.406 54.406 55.650 -1.244 18905 5244 1 9 . 1 1 47 47 TYR CB C 47 37.537 37.537 38.168 -0.631 18905 5245 1 9 . 1 1 47 47 TYR H H 47 7.897 7.897 7.540 0.357 18905 5246 1 9 . 1 1 48 48 ALA N N 48 119.845 119.845 120.391 -0.546 18905 5247 1 9 . 1 1 48 48 ALA HA H 48 4.360 4.360 4.680 -0.320 18905 5248 1 9 . 1 1 48 48 ALA C C 48 171.938 171.938 175.623 -3.685 18905 5249 1 9 . 1 1 48 48 ALA CA C 48 49.129 49.129 51.468 -2.339 18905 5250 1 9 . 1 1 48 48 ALA CB C 48 19.614 19.614 22.092 -2.478 18905 5251 1 9 . 1 1 48 48 ALA H H 48 8.083 8.083 7.339 0.744 18905 5252 1 9 . 1 1 49 49 VAL N N 49 122.528 122.528 121.100 1.428 18905 5253 1 9 . 1 1 49 49 VAL HA H 49 3.904 3.904 4.412 -0.508 18905 5254 1 9 . 1 1 49 49 VAL C C 49 172.490 172.490 174.510 -2.020 18905 5255 1 9 . 1 1 49 49 VAL CA C 49 60.373 60.373 62.224 -1.851 18905 5256 1 9 . 1 1 49 49 VAL CB C 49 28.257 28.257 31.208 -2.951 18905 5257 1 9 . 1 1 49 49 VAL H H 49 8.414 8.414 8.457 -0.043 18905 5258 1 9 . 1 1 50 50 LEU N N 50 127.924 127.924 123.482 4.442 18905 5259 1 9 . 1 1 50 50 LEU HA H 50 4.650 4.650 4.827 -0.177 18905 5260 1 9 . 1 1 50 50 LEU C C 50 172.488 172.488 175.251 -2.763 18905 5261 1 9 . 1 1 50 50 LEU CA C 50 50.523 50.523 54.038 -3.515 18905 5262 1 9 . 1 1 50 50 LEU CB C 50 42.647 42.647 43.358 -0.711 18905 5263 1 9 . 1 1 50 50 LEU H H 50 7.904 7.904 7.890 0.014 18905 5264 1 9 . 1 1 51 51 SER N N 51 114.999 114.999 113.431 1.568 18905 5265 1 9 . 1 1 51 51 SER HA H 51 4.783 4.783 4.672 0.111 18905 5266 1 9 . 1 1 51 51 SER C C 51 172.827 172.827 174.161 -1.334 18905 5267 1 9 . 1 1 51 51 SER CA C 51 53.708 53.708 57.862 -4.154 18905 5268 1 9 . 1 1 51 51 SER CB C 51 63.424 63.424 64.040 -0.616 18905 5269 1 9 . 1 1 51 51 SER H H 51 8.623 8.623 8.000 0.623 18905 5270 1 9 . 1 1 52 52 SER N N 52 118.355 118.355 116.490 1.865 18905 5271 1 9 . 1 1 52 52 SER HA H 52 4.301 4.301 4.566 -0.265 18905 5272 1 9 . 1 1 52 52 SER C C 52 173.242 173.242 175.140 -1.898 18905 5273 1 9 . 1 1 52 52 SER CA C 52 58.709 58.709 59.898 -1.189 18905 5274 1 9 . 1 1 52 52 SER CB C 52 59.826 59.826 63.024 -3.198 18905 5275 1 9 . 1 1 52 52 SER H H 52 9.117 9.117 8.549 0.568 18905 5276 1 9 . 1 1 53 53 SER N N 53 114.926 114.926 117.292 -2.366 18905 5277 1 9 . 1 1 53 53 SER HA H 53 4.292 4.292 4.390 -0.098 18905 5278 1 9 . 1 1 53 53 SER CA C 53 57.882 57.882 59.873 -1.991 18905 5279 1 9 . 1 1 53 53 SER CB C 53 60.220 60.220 63.423 -3.203 18905 5280 1 9 . 1 1 53 53 SER H H 53 8.014 8.014 7.855 0.159 18905 5281 1 9 . 1 1 54 54 ASN N N 54 116.432 116.432 119.039 -2.607 18905 5282 1 9 . 1 1 54 54 ASN HA H 54 4.914 4.914 4.580 0.334 18905 5283 1 9 . 1 1 54 54 ASN C C 54 170.744 170.744 175.584 -4.840 18905 5284 1 9 . 1 1 54 54 ASN CA C 54 52.054 52.054 55.355 -3.301 18905 5285 1 9 . 1 1 54 54 ASN CB C 54 38.952 38.952 38.832 0.120 18905 5286 1 9 . 1 1 54 54 ASN H H 54 7.996 7.996 7.923 0.073 18905 5287 1 9 . 1 1 55 55 VAL N N 55 118.877 118.877 119.136 -0.259 18905 5288 1 9 . 1 1 55 55 VAL HA H 55 4.891 4.891 4.171 0.720 18905 5289 1 9 . 1 1 55 55 VAL C C 55 171.238 171.238 175.694 -4.456 18905 5290 1 9 . 1 1 55 55 VAL CA C 55 58.709 58.709 63.648 -4.939 18905 5291 1 9 . 1 1 55 55 VAL CB C 55 31.652 31.652 31.256 0.396 18905 5292 1 9 . 1 1 55 55 VAL H H 55 7.421 7.421 7.792 -0.371 18905 5293 1 9 . 1 1 56 56 ARG N N 56 125.757 125.757 125.444 0.313 18905 5294 1 9 . 1 1 56 56 ARG HA H 56 4.708 4.708 4.666 0.042 18905 5295 1 9 . 1 1 56 56 ARG C C 56 172.321 172.321 174.364 -2.043 18905 5296 1 9 . 1 1 56 56 ARG CA C 56 51.878 51.878 54.765 -2.887 18905 5297 1 9 . 1 1 56 56 ARG CB C 56 30.211 30.211 33.638 -3.427 18905 5298 1 9 . 1 1 56 56 ARG H H 56 9.011 9.011 8.817 0.194 18905 5299 1 9 . 1 1 57 57 VAL N N 57 125.646 125.646 127.201 -1.555 18905 5300 1 9 . 1 1 57 57 VAL HA H 57 3.878 3.878 4.244 -0.366 18905 5301 1 9 . 1 1 57 57 VAL C C 57 172.129 172.129 173.884 -1.755 18905 5302 1 9 . 1 1 57 57 VAL CA C 57 59.043 59.043 60.186 -1.143 18905 5303 1 9 . 1 1 57 57 VAL CB C 57 30.019 30.019 33.238 -3.219 18905 5304 1 9 . 1 1 57 57 VAL H H 57 8.794 8.794 8.571 0.223 18905 5305 1 9 . 1 1 58 58 ILE N N 58 127.547 127.547 128.449 -0.902 18905 5306 1 9 . 1 1 58 58 ILE HA H 58 4.049 4.049 4.070 -0.021 18905 5307 1 9 . 1 1 58 58 ILE C C 58 172.672 172.672 175.792 -3.120 18905 5308 1 9 . 1 1 58 58 ILE CA C 58 57.246 57.246 60.368 -3.122 18905 5309 1 9 . 1 1 58 58 ILE CB C 58 32.839 32.839 36.373 -3.534 18905 5310 1 9 . 1 1 58 58 ILE H H 58 7.259 7.259 8.050 -0.791 18905 5311 1 9 . 1 1 59 59 LYS N N 59 127.231 127.231 126.456 0.775 18905 5312 1 9 . 1 1 59 59 LYS HA H 59 4.532 4.532 4.411 0.121 18905 5313 1 9 . 1 1 59 59 LYS C C 59 173.119 173.119 175.954 -2.835 18905 5314 1 9 . 1 1 59 59 LYS CA C 59 52.444 52.444 55.670 -3.226 18905 5315 1 9 . 1 1 59 59 LYS CB C 59 32.374 32.374 33.569 -1.195 18905 5316 1 9 . 1 1 59 59 LYS H H 59 8.571 8.571 8.396 0.175 18905 5317 1 9 . 1 1 60 60 ASP N N 60 123.232 123.232 120.427 2.805 18905 5318 1 9 . 1 1 60 60 ASP HA H 60 4.496 4.496 4.683 -0.187 18905 5319 1 9 . 1 1 60 60 ASP C C 60 174.118 174.118 176.730 -2.612 18905 5320 1 9 . 1 1 60 60 ASP CA C 60 50.786 50.786 53.750 -2.964 18905 5321 1 9 . 1 1 60 60 ASP CB C 60 40.058 40.058 42.795 -2.737 18905 5322 1 9 . 1 1 60 60 ASP H H 60 8.527 8.527 8.392 0.135 18905 5323 1 9 . 1 1 61 61 LYS N N 61 125.977 125.977 121.970 4.007 18905 5324 1 9 . 1 1 61 61 LYS HA H 61 3.918 3.918 4.213 -0.295 18905 5325 1 9 . 1 1 61 61 LYS C C 61 174.696 174.696 177.833 -3.137 18905 5326 1 9 . 1 1 61 61 LYS CA C 61 56.017 56.017 58.011 -1.994 18905 5327 1 9 . 1 1 61 61 LYS CB C 61 29.813 29.813 32.766 -2.953 18905 5328 1 9 . 1 1 61 61 LYS H H 61 8.770 8.770 8.465 0.305 18905 5329 1 9 . 1 1 62 62 GLN N N 62 116.732 116.732 118.764 -2.032 18905 5330 1 9 . 1 1 62 62 GLN HA H 62 4.252 4.252 4.124 0.128 18905 5331 1 9 . 1 1 62 62 GLN C C 62 174.793 174.793 175.953 -1.160 18905 5332 1 9 . 1 1 62 62 GLN CA C 62 55.001 55.001 57.395 -2.394 18905 5333 1 9 . 1 1 62 62 GLN CB C 62 26.516 26.516 29.196 -2.680 18905 5334 1 9 . 1 1 62 62 GLN H H 62 8.538 8.538 8.340 0.198 18905 5335 1 9 . 1 1 63 63 THR N N 63 108.519 108.519 108.147 0.372 18905 5336 1 9 . 1 1 63 63 THR HA H 63 4.265 4.265 4.441 -0.176 18905 5337 1 9 . 1 1 63 63 THR CA C 63 59.302 59.302 60.072 -0.770 18905 5338 1 9 . 1 1 63 63 THR CB C 63 67.891 67.891 70.921 -3.030 18905 5339 1 9 . 1 1 63 63 THR H H 63 7.882 7.882 7.410 0.472 18905 5340 1 9 . 1 1 64 64 GLN N N 64 113.890 113.890 119.052 -5.162 18905 5341 1 9 . 1 1 64 64 GLN HA H 64 3.829 3.829 4.639 -0.810 18905 5342 1 9 . 1 1 64 64 GLN C C 64 172.129 172.129 174.941 -2.812 18905 5343 1 9 . 1 1 64 64 GLN CA C 64 54.560 54.560 54.744 -0.184 18905 5344 1 9 . 1 1 64 64 GLN CB C 64 23.812 23.812 28.407 -4.595 18905 5345 1 9 . 1 1 64 64 GLN H H 64 8.188 8.188 8.409 -0.221 18905 5346 1 9 . 1 1 65 65 LEU N N 65 119.516 119.516 119.709 -0.193 18905 5347 1 9 . 1 1 65 65 LEU HA H 65 4.463 4.463 4.712 -0.249 18905 5348 1 9 . 1 1 65 65 LEU C C 65 174.174 174.174 175.091 -0.917 18905 5349 1 9 . 1 1 65 65 LEU CA C 65 51.024 51.024 53.117 -2.093 18905 5350 1 9 . 1 1 65 65 LEU CB C 65 39.608 39.608 45.711 -6.103 18905 5351 1 9 . 1 1 65 65 LEU H H 65 7.682 7.682 7.355 0.327 18905 5352 1 9 . 1 1 66 66 ASN N N 66 117.776 117.776 118.458 -0.682 18905 5353 1 9 . 1 1 66 66 ASN HA H 66 4.958 4.958 4.871 0.087 18905 5354 1 9 . 1 1 66 66 ASN C C 66 171.913 171.913 176.329 -4.416 18905 5355 1 9 . 1 1 66 66 ASN CA C 66 50.440 50.440 53.139 -2.699 18905 5356 1 9 . 1 1 66 66 ASN CB C 66 36.771 36.771 39.239 -2.468 18905 5357 1 9 . 1 1 66 66 ASN H H 66 8.771 8.771 8.404 0.367 18905 5358 1 9 . 1 1 67 67 ARG N N 67 117.508 117.508 123.376 -5.868 18905 5359 1 9 . 1 1 67 67 ARG HA H 67 4.193 4.193 4.320 -0.127 18905 5360 1 9 . 1 1 67 67 ARG CA C 67 53.615 53.615 57.360 -3.745 18905 5361 1 9 . 1 1 67 67 ARG CB C 67 28.137 28.137 30.381 -2.244 18905 5362 1 9 . 1 1 67 67 ARG H H 67 8.313 8.313 8.373 -0.060 18905 5363 1 9 . 1 1 68 68 GLY N N 68 107.904 107.904 106.593 1.311 18905 5364 1 9 . 1 1 68 68 GLY CA C 68 42.842 42.842 45.028 -2.186 18905 5365 1 9 . 1 1 68 68 GLY H H 68 9.437 9.437 8.627 0.810 18905 5366 1 9 . 1 1 69 69 PHE N N 69 113.804 113.804 115.477 -1.673 18905 5367 1 9 . 1 1 69 69 PHE HA H 69 5.754 5.754 5.537 0.217 18905 5368 1 9 . 1 1 69 69 PHE C C 69 170.151 170.151 172.608 -2.457 18905 5369 1 9 . 1 1 69 69 PHE CA C 69 51.625 51.625 54.428 -2.803 18905 5370 1 9 . 1 1 69 69 PHE CB C 69 39.587 39.587 41.284 -1.697 18905 5371 1 9 . 1 1 69 69 PHE H H 69 6.750 6.750 7.553 -0.803 18905 5372 1 9 . 1 1 70 70 ALA N N 70 118.965 118.965 119.241 -0.276 18905 5373 1 9 . 1 1 70 70 ALA HA H 70 4.807 4.807 4.165 0.642 18905 5374 1 9 . 1 1 70 70 ALA C C 70 171.693 171.693 174.414 -2.721 18905 5375 1 9 . 1 1 70 70 ALA CA C 70 47.155 47.155 51.221 -4.066 18905 5376 1 9 . 1 1 70 70 ALA CB C 70 21.153 21.153 21.857 -0.704 18905 5377 1 9 . 1 1 70 70 ALA H H 70 8.526 8.526 7.731 0.795 18905 5378 1 9 . 1 1 71 71 PHE N N 71 117.469 117.469 117.659 -0.190 18905 5379 1 9 . 1 1 71 71 PHE HA H 71 5.537 5.537 5.558 -0.021 18905 5380 1 9 . 1 1 71 71 PHE C C 71 172.630 172.630 174.713 -2.083 18905 5381 1 9 . 1 1 71 71 PHE CA C 71 52.609 52.609 55.938 -3.329 18905 5382 1 9 . 1 1 71 71 PHE CB C 71 39.675 39.675 44.218 -4.543 18905 5383 1 9 . 1 1 71 71 PHE H H 71 8.824 8.824 8.917 -0.093 18905 5384 1 9 . 1 1 72 72 ILE N N 72 122.867 122.867 120.001 2.866 18905 5385 1 9 . 1 1 72 72 ILE HA H 72 5.022 5.022 4.735 0.287 18905 5386 1 9 . 1 1 72 72 ILE CA C 72 56.881 56.881 60.554 -3.673 18905 5387 1 9 . 1 1 72 72 ILE CB C 72 37.031 37.031 41.293 -4.262 18905 5388 1 9 . 1 1 72 72 ILE H H 72 9.555 9.555 8.917 0.638 18905 5389 1 9 . 1 1 73 73 GLN N N 73 128.422 128.422 127.337 1.085 18905 5390 1 9 . 1 1 73 73 GLN HA H 73 5.170 5.170 4.360 0.810 18905 5391 1 9 . 1 1 73 73 GLN CA C 73 52.252 52.252 56.552 -4.300 18905 5392 1 9 . 1 1 73 73 GLN CB C 73 28.291 28.291 29.989 -1.698 18905 5393 1 9 . 1 1 73 73 GLN H H 73 8.964 8.964 8.316 0.648 18905 5394 1 9 . 1 1 74 74 LEU N N 74 126.707 126.707 118.624 8.083 18905 5395 1 9 . 1 1 74 74 LEU HA H 74 4.789 4.789 4.564 0.225 18905 5396 1 9 . 1 1 74 74 LEU CA C 74 50.617 50.617 54.164 -3.547 18905 5397 1 9 . 1 1 74 74 LEU CB C 74 44.885 44.885 43.332 1.553 18905 5398 1 9 . 1 1 74 74 LEU H H 74 8.420 8.420 8.224 0.196 18905 5399 1 9 . 1 1 75 75 SER HA H 75 4.284 4.284 5.263 -0.979 18905 5400 1 9 . 1 1 75 75 SER CA C 75 55.390 55.390 56.185 -0.795 18905 5401 1 9 . 1 1 75 75 SER CB C 75 61.275 61.275 65.806 -4.532 18905 5402 1 9 . 1 1 76 76 THR N N 76 116.193 116.193 119.542 -3.349 18905 5403 1 9 . 1 1 76 76 THR HA H 76 3.994 3.994 3.906 0.088 18905 5404 1 9 . 1 1 76 76 THR C C 76 174.630 174.630 176.057 -1.427 18905 5405 1 9 . 1 1 76 76 THR CA C 76 64.225 64.225 65.737 -1.512 18905 5406 1 9 . 1 1 76 76 THR CB C 76 66.003 66.003 68.552 -2.549 18905 5407 1 9 . 1 1 76 76 THR H H 76 8.614 8.614 8.594 0.020 18905 5408 1 9 . 1 1 77 77 ILE N N 77 120.400 120.400 121.147 -0.747 18905 5409 1 9 . 1 1 77 77 ILE HA H 77 3.911 3.911 3.684 0.227 18905 5410 1 9 . 1 1 77 77 ILE C C 77 175.577 175.577 177.810 -2.233 18905 5411 1 9 . 1 1 77 77 ILE CA C 77 61.264 61.264 65.177 -3.913 18905 5412 1 9 . 1 1 77 77 ILE CB C 77 35.379 35.379 37.571 -2.192 18905 5413 1 9 . 1 1 77 77 ILE H H 77 8.044 8.044 7.770 0.274 18905 5414 1 9 . 1 1 78 78 GLU N N 78 120.562 120.562 118.857 1.705 18905 5415 1 9 . 1 1 78 78 GLU HA H 78 4.062 4.062 3.983 0.079 18905 5416 1 9 . 1 1 78 78 GLU C C 78 176.596 176.596 179.280 -2.684 18905 5417 1 9 . 1 1 78 78 GLU CA C 78 56.355 56.355 59.079 -2.724 18905 5418 1 9 . 1 1 78 78 GLU CB C 78 27.668 27.668 28.979 -1.311 18905 5419 1 9 . 1 1 78 78 GLU H H 78 7.548 7.548 7.928 -0.380 18905 5420 1 9 . 1 1 79 79 ALA N N 79 122.789 122.789 119.418 3.371 18905 5421 1 9 . 1 1 79 79 ALA HA H 79 3.923 3.923 4.254 -0.331 18905 5422 1 9 . 1 1 79 79 ALA C C 79 175.736 175.736 177.799 -2.063 18905 5423 1 9 . 1 1 79 79 ALA CA C 79 52.649 52.649 54.114 -1.465 18905 5424 1 9 . 1 1 79 79 ALA CB C 79 15.305 15.305 18.439 -3.134 18905 5425 1 9 . 1 1 79 79 ALA H H 79 9.279 9.279 8.244 1.035 18905 5426 1 9 . 1 1 80 80 ALA N N 80 118.643 118.643 118.633 0.010 18905 5427 1 9 . 1 1 80 80 ALA HA H 80 4.001 4.001 4.423 -0.422 18905 5428 1 9 . 1 1 80 80 ALA C C 80 177.943 177.943 178.854 -0.911 18905 5429 1 9 . 1 1 80 80 ALA CA C 80 52.521 52.521 52.897 -0.376 18905 5430 1 9 . 1 1 80 80 ALA CB C 80 15.281 15.281 20.084 -4.803 18905 5431 1 9 . 1 1 80 80 ALA H H 80 7.688 7.688 7.276 0.412 18905 5432 1 9 . 1 1 81 81 GLN N N 81 116.877 116.877 118.687 -1.810 18905 5433 1 9 . 1 1 81 81 GLN HA H 81 4.015 4.015 4.277 -0.262 18905 5434 1 9 . 1 1 81 81 GLN CA C 81 55.760 55.760 58.029 -2.269 18905 5435 1 9 . 1 1 81 81 GLN CB C 81 25.786 25.786 29.226 -3.440 18905 5436 1 9 . 1 1 81 81 GLN H H 81 7.593 7.593 8.127 -0.534 18905 5437 1 9 . 1 1 82 82 LEU N N 82 119.946 119.946 122.667 -2.721 18905 5438 1 9 . 1 1 82 82 LEU HA H 82 4.121 4.121 4.036 0.085 18905 5439 1 9 . 1 1 82 82 LEU C C 82 175.358 175.358 179.060 -3.702 18905 5440 1 9 . 1 1 82 82 LEU CA C 82 54.781 54.781 58.061 -3.280 18905 5441 1 9 . 1 1 82 82 LEU CB C 82 38.240 38.240 40.993 -2.753 18905 5442 1 9 . 1 1 82 82 LEU H H 82 8.258 8.258 7.936 0.322 18905 5443 1 9 . 1 1 83 83 LEU N N 83 119.288 119.288 118.633 0.655 18905 5444 1 9 . 1 1 83 83 LEU HA H 83 3.585 3.585 3.958 -0.373 18905 5445 1 9 . 1 1 83 83 LEU C C 83 175.365 175.365 179.014 -3.649 18905 5446 1 9 . 1 1 83 83 LEU CA C 83 56.142 56.142 58.401 -2.259 18905 5447 1 9 . 1 1 83 83 LEU CB C 83 38.875 38.875 42.084 -3.209 18905 5448 1 9 . 1 1 83 83 LEU H H 83 8.407 8.407 8.459 -0.052 18905 5449 1 9 . 1 1 84 84 GLN N N 84 115.391 115.391 117.580 -2.189 18905 5450 1 9 . 1 1 84 84 GLN HA H 84 3.878 3.878 4.134 -0.256 18905 5451 1 9 . 1 1 84 84 GLN C C 84 176.472 176.472 177.453 -0.981 18905 5452 1 9 . 1 1 84 84 GLN CA C 84 56.142 56.142 58.313 -2.171 18905 5453 1 9 . 1 1 84 84 GLN CB C 84 25.733 25.733 28.777 -3.044 18905 5454 1 9 . 1 1 84 84 GLN H H 84 7.347 7.347 7.605 -0.258 18905 5455 1 9 . 1 1 85 85 ILE N N 85 119.593 119.593 119.559 0.034 18905 5456 1 9 . 1 1 85 85 ILE HA H 85 3.607 3.607 3.884 -0.277 18905 5457 1 9 . 1 1 85 85 ILE CA C 85 61.779 61.779 63.960 -2.181 18905 5458 1 9 . 1 1 85 85 ILE CB C 85 35.948 35.948 38.686 -2.738 18905 5459 1 9 . 1 1 85 85 ILE H H 85 7.650 7.650 7.991 -0.341 18905 5460 1 9 . 1 1 86 86 LEU N N 86 116.537 116.537 119.317 -2.780 18905 5461 1 9 . 1 1 86 86 LEU HA H 86 3.757 3.757 4.076 -0.319 18905 5462 1 9 . 1 1 86 86 LEU C C 86 177.610 177.610 179.117 -1.507 18905 5463 1 9 . 1 1 86 86 LEU CA C 86 54.521 54.521 57.605 -3.084 18905 5464 1 9 . 1 1 86 86 LEU CB C 86 39.226 39.226 41.262 -2.036 18905 5465 1 9 . 1 1 86 86 LEU H H 86 8.410 8.410 8.118 0.292 18905 5466 1 9 . 1 1 87 87 GLN N N 87 115.959 115.959 117.739 -1.780 18905 5467 1 9 . 1 1 87 87 GLN HA H 87 4.009 4.009 4.152 -0.143 18905 5468 1 9 . 1 1 87 87 GLN C C 87 174.156 174.156 176.488 -2.332 18905 5469 1 9 . 1 1 87 87 GLN CA C 87 55.735 55.735 57.574 -1.839 18905 5470 1 9 . 1 1 87 87 GLN CB C 87 25.516 25.516 27.882 -2.366 18905 5471 1 9 . 1 1 87 87 GLN H H 87 8.406 8.406 7.847 0.559 18905 5472 1 9 . 1 1 88 88 ALA N N 88 120.044 120.044 120.243 -0.199 18905 5473 1 9 . 1 1 88 88 ALA HA H 88 4.338 4.338 4.554 -0.216 18905 5474 1 9 . 1 1 88 88 ALA C C 88 174.373 174.373 176.565 -2.192 18905 5475 1 9 . 1 1 88 88 ALA CA C 88 48.933 48.933 52.460 -3.527 18905 5476 1 9 . 1 1 88 88 ALA CB C 88 16.681 16.681 20.694 -4.013 18905 5477 1 9 . 1 1 88 88 ALA H H 88 7.110 7.110 7.906 -0.796 18905 5478 1 9 . 1 1 89 89 LEU N N 89 119.696 119.696 117.056 2.640 18905 5479 1 9 . 1 1 89 89 LEU HA H 89 3.929 3.929 4.995 -1.066 18905 5480 1 9 . 1 1 89 89 LEU C C 89 175.387 175.387 174.467 0.920 18905 5481 1 9 . 1 1 89 89 LEU CA C 89 53.364 53.364 54.940 -1.576 18905 5482 1 9 . 1 1 89 89 LEU CB C 89 39.775 39.775 44.335 -4.560 18905 5483 1 9 . 1 1 89 89 LEU H H 89 6.693 6.693 7.476 -0.783 18905 5484 1 9 . 1 1 90 90 HIS N N 90 120.136 120.136 114.580 5.556 18905 5485 1 9 . 1 1 90 90 HIS HA H 90 4.419 4.419 4.957 -0.538 18905 5486 1 9 . 1 1 90 90 HIS CA C 90 50.226 50.226 53.705 -3.479 18905 5487 1 9 . 1 1 90 90 HIS CB C 90 27.853 27.853 30.011 -2.158 18905 5488 1 9 . 1 1 90 90 HIS H H 90 8.299 8.299 7.984 0.315 18905 5489 1 9 . 1 1 91 91 PRO HA H 91 4.367 4.367 4.693 -0.326 18905 5490 1 9 . 1 1 91 91 PRO CA C 91 60.550 60.550 61.579 -1.029 18905 5491 1 9 . 1 1 91 91 PRO CB C 91 29.416 29.416 31.554 -2.138 18905 5492 1 9 . 1 1 92 92 PRO HA H 92 4.815 4.815 4.494 0.321 18905 5493 1 9 . 1 1 92 92 PRO CA C 92 59.812 59.812 62.925 -3.113 18905 5494 1 9 . 1 1 92 92 PRO CB C 92 30.119 30.119 31.953 -1.834 18905 5495 1 9 . 1 1 93 93 LEU N N 93 121.469 121.469 121.673 -0.204 18905 5496 1 9 . 1 1 93 93 LEU HA H 93 3.954 3.954 4.232 -0.278 18905 5497 1 9 . 1 1 93 93 LEU CA C 93 53.500 53.500 56.101 -2.601 18905 5498 1 9 . 1 1 93 93 LEU CB C 93 39.889 39.889 41.853 -1.964 18905 5499 1 9 . 1 1 93 93 LEU H H 93 8.404 8.404 7.700 0.704 18905 5500 1 9 . 1 1 94 94 THR HA H 94 5.276 5.276 4.668 0.608 18905 5501 1 9 . 1 1 94 94 THR CA C 94 57.077 57.077 61.436 -4.359 18905 5502 1 9 . 1 1 94 94 THR CB C 94 69.076 69.076 71.084 -2.008 18905 5503 1 9 . 1 1 95 95 ILE N N 95 121.239 121.239 125.862 -4.623 18905 5504 1 9 . 1 1 95 95 ILE HA H 95 4.184 4.184 4.395 -0.211 18905 5505 1 9 . 1 1 95 95 ILE CA C 95 58.054 58.054 59.933 -1.879 18905 5506 1 9 . 1 1 95 95 ILE CB C 95 37.534 37.534 39.956 -2.421 18905 5507 1 9 . 1 1 95 95 ILE H H 95 8.317 8.317 8.769 -0.452 18905 5508 1 9 . 1 1 96 96 ASP N N 96 130.909 130.909 128.154 2.755 18905 5509 1 9 . 1 1 96 96 ASP HA H 96 4.292 4.292 4.343 -0.051 18905 5510 1 9 . 1 1 96 96 ASP CA C 96 53.001 53.001 55.261 -2.260 18905 5511 1 9 . 1 1 96 96 ASP CB C 96 37.114 37.114 40.353 -3.239 18905 5512 1 9 . 1 1 96 96 ASP H H 96 9.837 9.837 8.972 0.865 18905 5513 1 9 . 1 1 97 97 GLY N N 97 102.578 102.578 102.901 -0.323 18905 5514 1 9 . 1 1 97 97 GLY C C 97 170.992 170.992 173.827 -2.835 18905 5515 1 9 . 1 1 97 97 GLY CA C 97 42.754 42.754 45.067 -2.313 18905 5516 1 9 . 1 1 97 97 GLY H H 97 8.638 8.638 8.088 0.550 18905 5517 1 9 . 1 1 98 98 LYS N N 98 120.330 120.330 121.082 -0.752 18905 5518 1 9 . 1 1 98 98 LYS HA H 98 4.629 4.629 4.630 -0.001 18905 5519 1 9 . 1 1 98 98 LYS C C 98 172.675 172.675 174.890 -2.215 18905 5520 1 9 . 1 1 98 98 LYS CA C 98 50.304 50.304 54.639 -4.335 18905 5521 1 9 . 1 1 98 98 LYS CB C 98 31.136 31.136 34.755 -3.619 18905 5522 1 9 . 1 1 98 98 LYS H H 98 7.440 7.440 7.951 -0.511 18905 5523 1 9 . 1 1 99 99 THR N N 99 119.612 119.612 112.920 6.692 18905 5524 1 9 . 1 1 99 99 THR HA H 99 4.356 4.356 4.558 -0.202 18905 5525 1 9 . 1 1 99 99 THR C C 99 171.511 171.511 173.748 -2.237 18905 5526 1 9 . 1 1 99 99 THR CA C 99 60.382 60.382 60.580 -0.197 18905 5527 1 9 . 1 1 99 99 THR CB C 99 65.967 65.967 70.227 -4.260 18905 5528 1 9 . 1 1 99 99 THR H H 99 8.626 8.626 8.326 0.300 18905 5529 1 9 . 1 1 100 100 ILE N N 100 129.389 129.389 125.129 4.260 18905 5530 1 9 . 1 1 100 100 ILE HA H 100 4.358 4.358 3.998 0.360 18905 5531 1 9 . 1 1 100 100 ILE C C 100 172.710 172.710 175.915 -3.205 18905 5532 1 9 . 1 1 100 100 ILE CA C 100 55.202 55.202 59.620 -4.418 18905 5533 1 9 . 1 1 100 100 ILE CB C 100 34.925 34.925 35.916 -0.991 18905 5534 1 9 . 1 1 100 100 ILE H H 100 8.463 8.463 8.502 -0.039 18905 5535 1 9 . 1 1 101 101 ASN N N 101 123.767 123.767 126.137 -2.370 18905 5536 1 9 . 1 1 101 101 ASN HA H 101 4.904 4.904 4.781 0.123 18905 5537 1 9 . 1 1 101 101 ASN C C 101 170.860 170.860 174.767 -3.907 18905 5538 1 9 . 1 1 101 101 ASN CA C 101 49.884 49.884 53.934 -4.050 18905 5539 1 9 . 1 1 101 101 ASN CB C 101 38.364 38.364 39.927 -1.563 18905 5540 1 9 . 1 1 101 101 ASN H H 101 7.878 7.878 8.256 -0.378 18905 5541 1 9 . 1 1 102 102 VAL N N 102 122.207 122.207 116.698 5.509 18905 5542 1 9 . 1 1 102 102 VAL HA H 102 4.933 4.933 4.468 0.465 18905 5543 1 9 . 1 1 102 102 VAL C C 102 175.222 175.222 175.095 0.127 18905 5544 1 9 . 1 1 102 102 VAL CA C 102 57.981 57.981 60.990 -3.010 18905 5545 1 9 . 1 1 102 102 VAL CB C 102 31.183 31.183 34.736 -3.553 18905 5546 1 9 . 1 1 102 102 VAL H H 102 8.503 8.503 8.155 0.348 18905 5547 1 9 . 1 1 103 103 GLU N N 103 124.079 124.079 123.701 0.378 18905 5548 1 9 . 1 1 103 103 GLU HA H 103 4.557 4.557 4.403 0.154 18905 5549 1 9 . 1 1 103 103 GLU CA C 103 51.772 51.772 55.849 -4.077 18905 5550 1 9 . 1 1 103 103 GLU CB C 103 31.226 31.226 33.533 -2.307 18905 5551 1 9 . 1 1 103 103 GLU H H 103 8.627 8.627 8.359 0.268 18905 5552 1 9 . 1 1 104 104 PHE N N 104 121.287 121.287 117.918 3.369 18905 5553 1 9 . 1 1 104 104 PHE HA H 104 5.047 5.047 5.088 -0.041 18905 5554 1 9 . 1 1 104 104 PHE C C 104 173.023 173.023 174.053 -1.030 18905 5555 1 9 . 1 1 104 104 PHE CA C 104 55.305 55.305 55.436 -0.131 18905 5556 1 9 . 1 1 104 104 PHE CB C 104 38.342 38.342 41.533 -3.191 18905 5557 1 9 . 1 1 104 104 PHE H H 104 8.778 8.778 8.045 0.733 18905 5558 1 9 . 1 1 105 105 ALA N N 105 127.703 127.703 125.750 1.953 18905 5559 1 9 . 1 1 105 105 ALA HA H 105 4.278 4.278 4.579 -0.301 18905 5560 1 9 . 1 1 105 105 ALA C C 105 172.939 172.939 176.142 -3.203 18905 5561 1 9 . 1 1 105 105 ALA CA C 105 48.936 48.936 51.341 -2.405 18905 5562 1 9 . 1 1 105 105 ALA CB C 105 17.822 17.822 18.192 -0.370 18905 5563 1 9 . 1 1 105 105 ALA H H 105 8.630 8.630 8.595 0.035 18905 5564 1 9 . 1 1 106 106 LYS N N 106 121.259 121.259 125.646 -4.387 18905 5565 1 9 . 1 1 106 106 LYS HA H 106 4.211 4.211 4.320 -0.109 18905 5566 1 9 . 1 1 106 106 LYS C C 106 174.939 174.939 177.432 -2.493 18905 5567 1 9 . 1 1 106 106 LYS CA C 106 52.995 52.995 56.239 -3.244 18905 5568 1 9 . 1 1 106 106 LYS CB C 106 30.290 30.290 33.064 -2.774 18905 5569 1 9 . 1 1 106 106 LYS H H 106 8.289 8.289 8.067 0.222 18905 5570 1 9 . 1 1 107 107 GLY N N 107 111.965 111.965 115.040 -3.075 18905 5571 1 9 . 1 1 107 107 GLY C C 107 171.215 171.215 173.599 -2.384 18905 5572 1 9 . 1 1 107 107 GLY CA C 107 42.651 42.651 44.857 -2.206 18905 5573 1 9 . 1 1 107 107 GLY H H 107 8.921 8.921 8.392 0.529 18905 5574 1 9 . 1 1 108 108 SER N N 108 114.479 114.479 114.035 0.444 18905 5575 1 9 . 1 1 108 108 SER HA H 108 4.294 4.294 4.602 -0.308 18905 5576 1 9 . 1 1 108 108 SER C C 108 172.040 172.040 173.597 -1.557 18905 5577 1 9 . 1 1 108 108 SER CA C 108 55.336 55.336 57.086 -1.750 18905 5578 1 9 . 1 1 108 108 SER H H 108 8.197 8.197 8.405 -0.208 18905 5579 1 9 . 1 1 109 109 LYS N N 109 123.374 123.374 121.091 2.283 18905 5580 1 9 . 1 1 109 109 LYS HA H 109 4.198 4.198 4.549 -0.351 18905 5581 1 9 . 1 1 109 109 LYS C C 109 173.967 173.967 176.488 -2.521 18905 5582 1 9 . 1 1 109 109 LYS CA C 109 53.730 53.730 55.914 -2.184 18905 5583 1 9 . 1 1 109 109 LYS CB C 109 30.137 30.137 33.389 -3.252 18905 5584 1 9 . 1 1 109 109 LYS H H 109 8.306 8.306 8.446 -0.140 18905 5585 1 9 . 1 1 110 110 ARG N N 110 134.189 134.189 124.759 9.430 18905 5586 1 9 . 1 1 110 110 ARG HA H 110 4.542 4.542 4.531 0.011 18905 5587 1 9 . 1 1 110 110 ARG C C 110 173.119 173.119 174.560 -1.441 18905 5588 1 9 . 1 1 110 110 ARG CA C 110 52.474 52.474 55.629 -3.155 18905 5589 1 9 . 1 1 110 110 ARG CB C 110 32.296 32.296 32.249 0.047 18905 5590 1 9 . 1 1 111 111 ASP N N 111 123.210 123.210 125.325 -2.115 18905 5591 1 9 . 1 1 111 111 ASP HA H 111 4.519 4.519 4.536 -0.017 18905 5592 1 9 . 1 1 111 111 ASP C C 111 174.187 174.187 175.900 -1.713 18905 5593 1 9 . 1 1 111 111 ASP CA C 111 52.307 52.307 55.452 -3.145 18905 5594 1 9 . 1 1 111 111 ASP CB C 111 40.206 40.206 41.375 -1.169 18905 5595 1 9 . 1 1 111 111 ASP H H 111 8.523 8.523 8.376 0.147 18905 5596 1 9 . 1 1 112 112 MET HA H 112 4.330 4.330 4.710 -0.380 18905 5597 1 9 . 1 1 112 112 MET CA C 112 53.074 53.074 54.504 -1.430 18905 5598 1 9 . 1 1 112 112 MET CB C 112 30.057 30.057 35.275 -5.218 18905 5599 1 9 . 1 1 113 113 ALA N N 113 124.061 124.061 122.547 1.514 18905 5600 1 9 . 1 1 113 113 ALA HA H 113 4.229 4.229 4.794 -0.565 18905 5601 1 9 . 1 1 113 113 ALA C C 113 175.243 175.243 176.196 -0.953 18905 5602 1 9 . 1 1 113 113 ALA CA C 113 49.967 49.967 52.104 -2.137 18905 5603 1 9 . 1 1 113 113 ALA CB C 113 16.436 16.436 20.398 -3.962 18905 5604 1 9 . 1 1 113 113 ALA H H 113 8.214 8.214 8.209 0.005 18905 5605 1 9 . 1 1 114 114 SER N N 114 114.286 114.286 115.022 -0.736 18905 5606 1 9 . 1 1 114 114 SER HA H 114 4.376 4.376 4.902 -0.526 18905 5607 1 9 . 1 1 114 114 SER CA C 114 55.596 55.596 57.817 -2.221 18905 5608 1 9 . 1 1 114 114 SER CB C 114 61.009 61.009 64.693 -3.684 18905 5609 1 9 . 1 1 114 114 SER H H 114 8.124 8.124 8.492 -0.368 18905 5610 1 9 . 1 1 119 119 ARG N N 119 122.813 122.813 123.265 -0.452 18905 5611 1 9 . 1 1 119 119 ARG HA H 119 4.294 4.294 4.634 -0.340 18905 5612 1 9 . 1 1 119 119 ARG C C 119 173.654 173.654 175.436 -1.782 18905 5613 1 9 . 1 1 119 119 ARG CA C 119 53.701 53.701 56.138 -2.437 18905 5614 1 9 . 1 1 119 119 ARG CB C 119 28.140 28.140 30.410 -2.270 18905 5615 1 9 . 1 1 119 119 ARG H H 119 8.246 8.246 8.287 -0.041 18905 5616 1 9 . 1 1 120 120 ILE N N 120 121.624 121.624 120.284 1.340 18905 5617 1 9 . 1 1 120 120 ILE HA H 120 4.099 4.099 4.702 -0.603 18905 5618 1 9 . 1 1 120 120 ILE C C 120 173.651 173.651 175.378 -1.727 18905 5619 1 9 . 1 1 120 120 ILE CA C 120 58.593 58.593 60.293 -1.700 18905 5620 1 9 . 1 1 120 120 ILE CB C 120 36.091 36.091 40.668 -4.577 18905 5621 1 9 . 1 1 120 120 ILE H H 120 8.084 8.084 8.077 0.007 18905 5622 1 9 . 1 1 121 121 SER N N 121 119.953 119.953 119.036 0.917 18905 5623 1 9 . 1 1 121 121 SER HA H 121 4.378 4.378 5.298 -0.920 18905 5624 1 9 . 1 1 121 121 SER C C 121 170.780 170.780 172.853 -2.073 18905 5625 1 9 . 1 1 121 121 SER CA C 121 55.506 55.506 58.007 -2.501 18905 5626 1 9 . 1 1 121 121 SER CB C 121 61.571 61.571 64.035 -2.464 18905 5627 1 9 . 1 1 121 121 SER H H 121 8.300 8.300 8.831 -0.531 18905 5628 1 9 . 1 1 123 123 ALA N N 123 119.892 119.892 122.326 -2.434 18905 5629 1 9 . 1 1 123 123 ALA HA H 123 4.102 4.102 5.214 -1.112 18905 5630 1 9 . 1 1 123 123 ALA CA C 123 58.473 58.473 52.941 5.532 18905 5631 1 9 . 1 1 123 123 ALA H H 123 8.305 8.305 8.876 -0.571 18905 5632 1 9 . 1 1 124 124 SER N N 124 122.264 122.264 112.948 9.316 18905 5633 1 9 . 1 1 124 124 SER HA H 124 4.384 4.384 5.116 -0.732 18905 5634 1 9 . 1 1 124 124 SER CA C 124 55.632 55.632 58.187 -2.555 18905 5635 1 9 . 1 1 124 124 SER CB C 124 60.925 60.925 65.480 -4.555 18905 5636 1 9 . 1 1 124 124 SER H H 124 8.353 8.353 8.552 -0.199 18905 5637 1 9 . 1 1 125 125 VAL N N 125 121.433 121.433 119.575 1.858 18905 5638 1 9 . 1 1 125 125 VAL HA H 125 4.073 4.073 4.993 -0.920 18905 5639 1 9 . 1 1 125 125 VAL C C 125 173.240 173.240 173.908 -0.668 18905 5640 1 9 . 1 1 125 125 VAL CA C 125 59.588 59.588 61.464 -1.876 18905 5641 1 9 . 1 1 125 125 VAL CB C 125 30.198 30.198 33.873 -3.675 18905 5642 1 9 . 1 1 125 125 VAL H H 125 8.014 8.014 8.784 -0.770 18905 5643 1 9 . 1 1 126 126 ALA N N 126 127.185 127.185 127.756 -0.571 18905 5644 1 9 . 1 1 126 126 ALA HA H 126 4.278 4.278 4.773 -0.495 18905 5645 1 9 . 1 1 126 126 ALA C C 126 175.118 175.118 175.584 -0.466 18905 5646 1 9 . 1 1 126 126 ALA CA C 126 49.919 49.919 51.881 -1.962 18905 5647 1 9 . 1 1 126 126 ALA CB C 126 16.532 16.532 20.954 -4.422 18905 5648 1 9 . 1 1 126 126 ALA H H 126 8.277 8.277 8.224 0.053 18905 5649 1 9 . 1 1 127 127 SER N N 127 115.148 115.148 114.794 0.354 18905 5650 1 9 . 1 1 127 127 SER HA H 127 4.420 4.420 4.554 -0.134 18905 5651 1 9 . 1 1 127 127 SER C C 127 172.168 172.168 173.117 -0.949 18905 5652 1 9 . 1 1 127 127 SER CA C 127 55.770 55.770 58.427 -2.657 18905 5653 1 9 . 1 1 127 127 SER CB C 127 58.992 58.992 64.059 -5.067 18905 5654 1 9 . 1 1 127 127 SER H H 127 8.249 8.249 8.392 -0.143 18905 5655 1 9 . 1 1 128 128 THR N N 128 115.498 115.498 114.889 0.609 18905 5656 1 9 . 1 1 128 128 THR C C 128 171.392 171.392 173.297 -1.905 18905 5657 1 9 . 1 1 128 128 THR CA C 128 59.083 59.083 62.459 -3.376 18905 5658 1 9 . 1 1 128 128 THR H H 128 8.050 8.050 7.680 0.370 18905 5659 1 9 . 1 1 129 129 ALA N N 129 126.543 126.543 129.616 -3.073 18905 5660 1 9 . 1 1 129 129 ALA HA H 129 4.236 4.236 4.578 -0.342 18905 5661 1 9 . 1 1 129 129 ALA C C 129 174.650 174.650 176.133 -1.483 18905 5662 1 9 . 1 1 129 129 ALA CA C 129 49.794 49.794 52.048 -2.255 18905 5663 1 9 . 1 1 129 129 ALA CB C 129 16.538 16.538 19.779 -3.241 18905 5664 1 9 . 1 1 129 129 ALA H H 129 8.160 8.160 8.520 -0.360 18905 5665 1 9 . 1 1 130 130 ILE N N 130 120.371 120.371 121.772 -1.401 18905 5666 1 9 . 1 1 130 130 ILE HA H 130 4.099 4.099 5.038 -0.939 18905 5667 1 9 . 1 1 130 130 ILE C C 130 173.651 173.651 175.198 -1.547 18905 5668 1 9 . 1 1 130 130 ILE CA C 130 58.513 58.513 61.029 -2.516 18905 5669 1 9 . 1 1 130 130 ILE CB C 130 36.091 36.091 40.212 -4.120 18905 5670 1 9 . 1 1 130 130 ILE H H 130 8.043 8.043 8.932 -0.889 18905 5671 1 10 . 1 1 4 4 GLY N N 4 110.117 110.117 104.809 5.308 18905 5672 1 10 . 1 1 4 4 GLY C C 4 171.413 171.413 172.604 -1.191 18905 5673 1 10 . 1 1 4 4 GLY CA C 4 42.667 42.667 44.468 -1.801 18905 5674 1 10 . 1 1 4 4 GLY H H 4 8.391 8.391 8.050 0.341 18905 5675 1 10 . 1 1 5 5 VAL N N 5 119.501 119.501 118.242 1.259 18905 5676 1 10 . 1 1 5 5 VAL HA H 5 4.018 4.018 4.323 -0.305 18905 5677 1 10 . 1 1 5 5 VAL C C 5 173.738 173.738 175.466 -1.728 18905 5678 1 10 . 1 1 5 5 VAL CA C 5 59.923 59.923 62.234 -2.312 18905 5679 1 10 . 1 1 5 5 VAL CB C 5 30.111 30.111 32.474 -2.364 18905 5680 1 10 . 1 1 5 5 VAL H H 5 7.951 7.951 8.251 -0.300 18905 5681 1 10 . 1 1 6 6 LEU N N 6 125.484 125.484 128.433 -2.949 18905 5682 1 10 . 1 1 6 6 LEU HA H 6 4.280 4.280 4.656 -0.376 18905 5683 1 10 . 1 1 6 6 LEU C C 6 174.708 174.708 176.324 -1.616 18905 5684 1 10 . 1 1 6 6 LEU CA C 6 52.535 52.535 55.274 -2.739 18905 5685 1 10 . 1 1 6 6 LEU CB C 6 39.586 39.586 42.519 -2.933 18905 5686 1 10 . 1 1 6 6 LEU H H 6 8.248 8.248 8.582 -0.334 18905 5687 1 10 . 1 1 7 7 ALA N N 7 124.939 124.939 126.765 -1.826 18905 5688 1 10 . 1 1 7 7 ALA HA H 7 4.234 4.234 4.774 -0.540 18905 5689 1 10 . 1 1 7 7 ALA C C 7 174.865 174.865 175.839 -0.974 18905 5690 1 10 . 1 1 7 7 ALA CA C 7 50.136 50.136 51.951 -1.815 18905 5691 1 10 . 1 1 7 7 ALA CB C 7 16.500 16.500 20.579 -4.079 18905 5692 1 10 . 1 1 7 7 ALA H H 7 8.241 8.241 8.264 -0.023 18905 5693 1 10 . 1 1 8 8 SER N N 8 117.901 117.901 114.313 3.588 18905 5694 1 10 . 1 1 8 8 SER HA H 8 4.377 4.377 4.954 -0.577 18905 5695 1 10 . 1 1 8 8 SER C C 8 172.221 172.221 172.411 -0.190 18905 5696 1 10 . 1 1 8 8 SER CA C 8 56.008 56.008 57.940 -1.932 18905 5697 1 10 . 1 1 8 8 SER CB C 8 61.008 61.008 64.031 -3.023 18905 5698 1 10 . 1 1 8 8 SER H H 8 8.347 8.347 8.681 -0.334 18905 5699 1 10 . 1 1 9 9 GLN N N 9 122.019 122.019 120.896 1.123 18905 5700 1 10 . 1 1 9 9 GLN HA H 9 4.302 4.302 5.170 -0.868 18905 5701 1 10 . 1 1 9 9 GLN C C 9 173.160 173.160 173.657 -0.497 18905 5702 1 10 . 1 1 9 9 GLN CA C 9 53.470 53.470 55.308 -1.838 18905 5703 1 10 . 1 1 9 9 GLN CB C 9 26.663 26.663 30.953 -4.290 18905 5704 1 10 . 1 1 9 9 GLN H H 9 8.240 8.240 8.730 -0.490 18905 5705 1 10 . 1 1 10 10 ALA N N 10 124.490 124.490 125.986 -1.496 18905 5706 1 10 . 1 1 10 10 ALA HA H 10 4.238 4.238 4.564 -0.326 18905 5707 1 10 . 1 1 10 10 ALA C C 10 175.142 175.142 175.216 -0.074 18905 5708 1 10 . 1 1 10 10 ALA CA C 10 50.121 50.121 51.718 -1.597 18905 5709 1 10 . 1 1 10 10 ALA CB C 10 16.322 16.322 20.502 -4.180 18905 5710 1 10 . 1 1 10 10 ALA H H 10 8.132 8.132 8.417 -0.285 18905 5711 1 10 . 1 1 11 11 LEU N N 11 120.785 120.785 118.766 2.019 18905 5712 1 10 . 1 1 11 11 LEU HA H 11 4.278 4.278 5.190 -0.912 18905 5713 1 10 . 1 1 11 11 LEU C C 11 174.929 174.929 175.133 -0.204 18905 5714 1 10 . 1 1 11 11 LEU CA C 11 52.612 52.612 53.885 -1.273 18905 5715 1 10 . 1 1 11 11 LEU CB C 11 39.647 39.647 43.928 -4.281 18905 5716 1 10 . 1 1 11 11 LEU H H 11 8.088 8.088 8.964 -0.876 18905 5717 1 10 . 1 1 12 12 SER N N 12 116.121 116.121 115.702 0.419 18905 5718 1 10 . 1 1 12 12 SER C C 12 171.977 171.977 172.622 -0.645 18905 5719 1 10 . 1 1 12 12 SER CA C 12 55.621 55.621 57.823 -2.202 18905 5720 1 10 . 1 1 12 12 SER CB C 12 56.041 56.041 66.177 -10.136 18905 5721 1 10 . 1 1 12 12 SER H H 12 8.170 8.170 8.798 -0.628 18905 5722 1 10 . 1 1 13 13 GLN N N 13 122.139 122.139 119.148 2.991 18905 5723 1 10 . 1 1 13 13 GLN HA H 13 4.312 4.312 4.624 -0.312 18905 5724 1 10 . 1 1 13 13 GLN CA C 13 54.059 54.059 55.836 -1.777 18905 5725 1 10 . 1 1 13 13 GLN H H 13 8.368 8.368 8.585 -0.217 18905 5726 1 10 . 1 1 14 14 GLY N N 14 109.259 109.259 111.337 -2.078 18905 5727 1 10 . 1 1 14 14 GLY CA C 14 42.970 42.970 44.513 -1.543 18905 5728 1 10 . 1 1 14 14 GLY H H 14 8.378 8.378 8.798 -0.420 18905 5729 1 10 . 1 1 15 15 SER N N 15 115.486 115.486 115.929 -0.443 18905 5730 1 10 . 1 1 15 15 SER HA H 15 4.378 4.378 5.123 -0.745 18905 5731 1 10 . 1 1 15 15 SER CA C 15 55.853 55.853 57.607 -1.754 18905 5732 1 10 . 1 1 15 15 SER CB C 15 59.406 59.406 66.001 -6.595 18905 5733 1 10 . 1 1 15 15 SER H H 15 8.085 8.085 8.400 -0.315 18905 5734 1 10 . 1 1 16 16 GLU N N 16 120.501 120.501 121.791 -1.290 18905 5735 1 10 . 1 1 16 16 GLU HA H 16 4.664 4.664 4.794 -0.130 18905 5736 1 10 . 1 1 16 16 GLU CA C 16 50.628 50.628 54.574 -3.946 18905 5737 1 10 . 1 1 16 16 GLU CB C 16 36.442 36.442 31.149 5.293 18905 5738 1 10 . 1 1 16 16 GLU H H 16 8.376 8.376 8.838 -0.462 18905 5739 1 10 . 1 1 17 17 PRO CA C 17 65.700 65.700 63.194 2.506 18905 5740 1 10 . 1 1 22 22 ALA N N 22 124.130 124.130 126.003 -1.873 18905 5741 1 10 . 1 1 22 22 ALA HA H 22 4.178 4.178 4.652 -0.474 18905 5742 1 10 . 1 1 22 22 ALA CA C 22 49.746 49.746 51.642 -1.896 18905 5743 1 10 . 1 1 22 22 ALA CB C 22 16.789 16.789 22.326 -5.537 18905 5744 1 10 . 1 1 22 22 ALA H H 22 8.096 8.096 8.606 -0.510 18905 5745 1 10 . 1 1 23 23 ASN N N 23 117.516 117.516 117.825 -0.309 18905 5746 1 10 . 1 1 23 23 ASN HA H 23 4.672 4.672 4.894 -0.222 18905 5747 1 10 . 1 1 23 23 ASN C C 23 171.179 171.179 172.969 -1.790 18905 5748 1 10 . 1 1 23 23 ASN CA C 23 50.084 50.084 52.304 -2.220 18905 5749 1 10 . 1 1 23 23 ASN CB C 23 36.737 36.737 41.144 -4.407 18905 5750 1 10 . 1 1 23 23 ASN H H 23 8.037 8.037 8.503 -0.466 18905 5751 1 10 . 1 1 24 24 ASP N N 24 118.387 118.387 122.883 -4.496 18905 5752 1 10 . 1 1 24 24 ASP HA H 24 4.676 4.676 4.731 -0.055 18905 5753 1 10 . 1 1 24 24 ASP CA C 24 50.660 50.660 53.241 -2.581 18905 5754 1 10 . 1 1 24 24 ASP CB C 24 40.670 40.670 41.685 -1.015 18905 5755 1 10 . 1 1 24 24 ASP H H 24 8.198 8.198 8.543 -0.345 18905 5756 1 10 . 1 1 25 25 THR N N 25 114.224 114.224 116.376 -2.152 18905 5757 1 10 . 1 1 25 25 THR HA H 25 5.275 5.275 4.642 0.633 18905 5758 1 10 . 1 1 25 25 THR CA C 25 59.162 59.162 60.830 -1.668 18905 5759 1 10 . 1 1 25 25 THR CB C 25 68.849 68.849 72.361 -3.511 18905 5760 1 10 . 1 1 25 25 THR H H 25 8.090 8.090 7.717 0.373 18905 5761 1 10 . 1 1 26 26 ILE N N 26 126.637 126.637 123.019 3.618 18905 5762 1 10 . 1 1 26 26 ILE HA H 26 4.650 4.650 4.559 0.090 18905 5763 1 10 . 1 1 26 26 ILE C C 26 171.500 171.500 173.975 -2.475 18905 5764 1 10 . 1 1 26 26 ILE CA C 26 56.930 56.930 60.345 -3.415 18905 5765 1 10 . 1 1 26 26 ILE CB C 26 38.159 38.159 42.039 -3.880 18905 5766 1 10 . 1 1 26 26 ILE H H 26 9.314 9.314 8.551 0.763 18905 5767 1 10 . 1 1 27 27 ILE N N 27 126.764 126.764 123.692 3.072 18905 5768 1 10 . 1 1 27 27 ILE HA H 27 4.955 4.955 4.965 -0.010 18905 5769 1 10 . 1 1 27 27 ILE C C 27 171.462 171.462 173.675 -2.213 18905 5770 1 10 . 1 1 27 27 ILE CA C 27 56.909 56.909 58.877 -1.968 18905 5771 1 10 . 1 1 27 27 ILE CB C 27 38.397 38.397 42.848 -4.451 18905 5772 1 10 . 1 1 27 27 ILE H H 27 9.280 9.280 7.844 1.436 18905 5773 1 10 . 1 1 28 28 LEU N N 28 125.666 125.666 124.890 0.776 18905 5774 1 10 . 1 1 28 28 LEU HA H 28 4.858 4.858 5.034 -0.176 18905 5775 1 10 . 1 1 28 28 LEU C C 28 172.714 172.714 175.826 -3.112 18905 5776 1 10 . 1 1 28 28 LEU CA C 28 50.153 50.153 53.621 -3.468 18905 5777 1 10 . 1 1 28 28 LEU CB C 28 39.943 39.943 44.634 -4.691 18905 5778 1 10 . 1 1 28 28 LEU H H 28 8.791 8.791 8.637 0.154 18905 5779 1 10 . 1 1 29 29 ARG N N 29 119.656 119.656 120.252 -0.596 18905 5780 1 10 . 1 1 29 29 ARG HA H 29 5.023 5.023 4.838 0.185 18905 5781 1 10 . 1 1 29 29 ARG C C 29 172.927 172.927 176.213 -3.286 18905 5782 1 10 . 1 1 29 29 ARG CA C 29 51.933 51.933 54.562 -2.629 18905 5783 1 10 . 1 1 29 29 ARG CB C 29 31.298 31.298 33.593 -2.295 18905 5784 1 10 . 1 1 29 29 ARG H H 29 8.742 8.742 8.085 0.657 18905 5785 1 10 . 1 1 30 30 ASN N N 30 115.104 115.104 115.353 -0.249 18905 5786 1 10 . 1 1 30 30 ASN HA H 30 4.319 4.319 4.364 -0.045 18905 5787 1 10 . 1 1 30 30 ASN C C 30 172.025 172.025 174.033 -2.008 18905 5788 1 10 . 1 1 30 30 ASN CA C 30 51.550 51.550 54.148 -2.598 18905 5789 1 10 . 1 1 30 30 ASN CB C 30 35.656 35.656 37.939 -2.283 18905 5790 1 10 . 1 1 30 30 ASN H H 30 8.292 8.292 8.823 -0.531 18905 5791 1 10 . 1 1 31 31 LEU N N 31 113.394 113.394 117.116 -3.722 18905 5792 1 10 . 1 1 31 31 LEU HA H 31 3.915 3.915 4.213 -0.298 18905 5793 1 10 . 1 1 31 31 LEU C C 31 175.815 175.815 176.554 -0.739 18905 5794 1 10 . 1 1 31 31 LEU CA C 31 52.148 52.148 56.079 -3.931 18905 5795 1 10 . 1 1 31 31 LEU CB C 31 39.876 39.876 42.532 -2.656 18905 5796 1 10 . 1 1 31 31 LEU H H 31 7.602 7.602 7.521 0.081 18905 5797 1 10 . 1 1 32 32 ASN N N 32 123.357 123.357 114.787 8.570 18905 5798 1 10 . 1 1 32 32 ASN HA H 32 4.476 4.476 5.056 -0.580 18905 5799 1 10 . 1 1 32 32 ASN CA C 32 48.784 48.784 50.995 -2.211 18905 5800 1 10 . 1 1 32 32 ASN CB C 32 36.284 36.284 40.117 -3.833 18905 5801 1 10 . 1 1 32 32 ASN H H 32 9.816 9.816 8.198 1.617 18905 5802 1 10 . 1 1 33 33 PRO HA H 33 4.339 4.339 4.505 -0.166 18905 5803 1 10 . 1 1 33 33 PRO CA C 33 61.514 61.514 64.809 -3.295 18905 5804 1 10 . 1 1 33 33 PRO CB C 33 30.320 30.320 31.944 -1.624 18905 5805 1 10 . 1 1 34 34 HIS N N 34 111.187 111.187 114.024 -2.837 18905 5806 1 10 . 1 1 34 34 HIS HA H 34 4.402 4.402 4.670 -0.268 18905 5807 1 10 . 1 1 34 34 HIS CA C 34 53.125 53.125 56.345 -3.220 18905 5808 1 10 . 1 1 34 34 HIS CB C 34 25.760 25.760 29.698 -3.938 18905 5809 1 10 . 1 1 34 34 HIS H H 34 8.856 8.856 8.357 0.499 18905 5810 1 10 . 1 1 35 35 SER N N 35 118.219 118.219 115.849 2.370 18905 5811 1 10 . 1 1 35 35 SER HA H 35 4.718 4.718 4.411 0.307 18905 5812 1 10 . 1 1 35 35 SER CB C 35 60.222 60.222 64.031 -3.809 18905 5813 1 10 . 1 1 35 35 SER H H 35 8.262 8.262 7.694 0.568 18905 5814 1 10 . 1 1 36 36 THR N N 36 114.157 114.157 114.020 0.137 18905 5815 1 10 . 1 1 36 36 THR HA H 36 4.545 4.545 4.662 -0.117 18905 5816 1 10 . 1 1 36 36 THR CA C 36 56.508 56.508 60.422 -3.913 18905 5817 1 10 . 1 1 36 36 THR CB C 36 70.051 70.051 71.864 -1.813 18905 5818 1 10 . 1 1 36 36 THR H H 36 8.451 8.451 8.389 0.062 18905 5819 1 10 . 1 1 37 37 MET N N 37 119.815 119.815 120.993 -1.178 18905 5820 1 10 . 1 1 37 37 MET HA H 37 3.943 3.943 4.226 -0.283 18905 5821 1 10 . 1 1 37 37 MET CA C 37 56.204 56.204 58.306 -2.102 18905 5822 1 10 . 1 1 37 37 MET CB C 37 28.959 28.959 32.266 -3.307 18905 5823 1 10 . 1 1 37 37 MET H H 37 8.928 8.928 8.656 0.272 18905 5824 1 10 . 1 1 38 38 ASP N N 38 115.357 115.357 119.728 -4.371 18905 5825 1 10 . 1 1 38 38 ASP HA H 38 4.301 4.301 4.470 -0.169 18905 5826 1 10 . 1 1 38 38 ASP CA C 38 54.750 54.750 57.278 -2.528 18905 5827 1 10 . 1 1 38 38 ASP CB C 38 37.934 37.934 39.892 -1.958 18905 5828 1 10 . 1 1 38 38 ASP H H 38 8.096 8.096 8.732 -0.636 18905 5829 1 10 . 1 1 39 39 SER N N 39 118.933 118.933 116.897 2.036 18905 5830 1 10 . 1 1 39 39 SER HA H 39 4.253 4.253 4.056 0.197 18905 5831 1 10 . 1 1 39 39 SER C C 39 174.818 174.818 176.442 -1.624 18905 5832 1 10 . 1 1 39 39 SER CA C 39 58.767 58.767 61.479 -2.712 18905 5833 1 10 . 1 1 39 39 SER CB C 39 61.631 61.631 63.121 -1.490 18905 5834 1 10 . 1 1 39 39 SER H H 39 8.088 8.088 7.830 0.258 18905 5835 1 10 . 1 1 40 40 ILE N N 40 124.376 124.376 122.880 1.496 18905 5836 1 10 . 1 1 40 40 ILE HA H 40 3.538 3.538 3.738 -0.200 18905 5837 1 10 . 1 1 40 40 ILE C C 40 174.358 174.358 177.643 -3.285 18905 5838 1 10 . 1 1 40 40 ILE CA C 40 62.936 62.936 64.642 -1.706 18905 5839 1 10 . 1 1 40 40 ILE CB C 40 35.725 35.725 37.818 -2.093 18905 5840 1 10 . 1 1 40 40 ILE H H 40 8.009 8.009 7.420 0.589 18905 5841 1 10 . 1 1 41 41 LEU N N 41 117.914 117.914 119.580 -1.666 18905 5842 1 10 . 1 1 41 41 LEU HA H 41 3.818 3.818 3.886 -0.068 18905 5843 1 10 . 1 1 41 41 LEU C C 41 178.292 178.292 179.283 -0.991 18905 5844 1 10 . 1 1 41 41 LEU CA C 41 55.496 55.496 58.152 -2.656 18905 5845 1 10 . 1 1 41 41 LEU CB C 41 38.574 38.574 41.398 -2.824 18905 5846 1 10 . 1 1 41 41 LEU H H 41 8.574 8.574 7.823 0.751 18905 5847 1 10 . 1 1 42 42 GLY N N 42 105.053 105.053 104.336 0.717 18905 5848 1 10 . 1 1 42 42 GLY C C 42 173.318 173.318 174.755 -1.437 18905 5849 1 10 . 1 1 42 42 GLY CA C 42 44.283 44.283 46.366 -2.083 18905 5850 1 10 . 1 1 42 42 GLY H H 42 8.207 8.207 8.093 0.114 18905 5851 1 10 . 1 1 43 43 ALA N N 43 122.411 122.411 123.492 -1.081 18905 5852 1 10 . 1 1 43 43 ALA HA H 43 4.245 4.245 4.323 -0.078 18905 5853 1 10 . 1 1 43 43 ALA C C 43 176.200 176.200 178.795 -2.595 18905 5854 1 10 . 1 1 43 43 ALA CA C 43 51.148 51.148 54.025 -2.877 18905 5855 1 10 . 1 1 43 43 ALA CB C 43 17.381 17.381 18.907 -1.526 18905 5856 1 10 . 1 1 43 43 ALA H H 43 7.571 7.571 7.248 0.323 18905 5857 1 10 . 1 1 44 44 LEU N N 44 113.121 113.121 117.583 -4.462 18905 5858 1 10 . 1 1 44 44 LEU HA H 44 4.514 4.514 4.710 -0.196 18905 5859 1 10 . 1 1 44 44 LEU C C 44 174.187 174.187 178.515 -4.328 18905 5860 1 10 . 1 1 44 44 LEU CA C 44 52.247 52.247 54.169 -1.922 18905 5861 1 10 . 1 1 44 44 LEU CB C 44 40.210 40.210 41.227 -1.017 18905 5862 1 10 . 1 1 44 44 LEU H H 44 7.533 7.533 7.897 -0.364 18905 5863 1 10 . 1 1 45 45 ALA N N 45 123.574 123.574 124.847 -1.273 18905 5864 1 10 . 1 1 45 45 ALA HA H 45 4.313 4.313 3.967 0.346 18905 5865 1 10 . 1 1 45 45 ALA CA C 45 53.187 53.187 56.735 -3.548 18905 5866 1 10 . 1 1 45 45 ALA CB C 45 14.134 14.134 15.942 -1.808 18905 5867 1 10 . 1 1 45 45 ALA H H 45 7.398 7.398 8.658 -1.260 18905 5868 1 10 . 1 1 46 46 PRO HA H 46 4.043 4.043 4.225 -0.182 18905 5869 1 10 . 1 1 46 46 PRO CA C 46 61.784 61.784 64.351 -2.567 18905 5870 1 10 . 1 1 46 46 PRO CB C 46 27.999 27.999 31.330 -3.331 18905 5871 1 10 . 1 1 47 47 TYR N N 47 114.404 114.404 117.157 -2.753 18905 5872 1 10 . 1 1 47 47 TYR HA H 47 4.527 4.527 4.739 -0.212 18905 5873 1 10 . 1 1 47 47 TYR CA C 47 54.406 54.406 56.175 -1.769 18905 5874 1 10 . 1 1 47 47 TYR CB C 47 37.537 37.537 38.240 -0.703 18905 5875 1 10 . 1 1 47 47 TYR H H 47 7.897 7.897 7.809 0.088 18905 5876 1 10 . 1 1 48 48 ALA N N 48 119.845 119.845 121.182 -1.337 18905 5877 1 10 . 1 1 48 48 ALA HA H 48 4.360 4.360 4.756 -0.396 18905 5878 1 10 . 1 1 48 48 ALA C C 48 171.938 171.938 175.247 -3.309 18905 5879 1 10 . 1 1 48 48 ALA CA C 48 49.129 49.129 50.798 -1.669 18905 5880 1 10 . 1 1 48 48 ALA CB C 48 19.614 19.614 21.558 -1.944 18905 5881 1 10 . 1 1 48 48 ALA H H 48 8.083 8.083 7.350 0.733 18905 5882 1 10 . 1 1 49 49 VAL N N 49 122.528 122.528 120.417 2.111 18905 5883 1 10 . 1 1 49 49 VAL HA H 49 3.904 3.904 4.469 -0.565 18905 5884 1 10 . 1 1 49 49 VAL C C 49 172.490 172.490 174.595 -2.105 18905 5885 1 10 . 1 1 49 49 VAL CA C 49 60.373 60.373 62.318 -1.945 18905 5886 1 10 . 1 1 49 49 VAL CB C 49 28.257 28.257 31.132 -2.875 18905 5887 1 10 . 1 1 49 49 VAL H H 49 8.414 8.414 8.563 -0.149 18905 5888 1 10 . 1 1 50 50 LEU N N 50 127.924 127.924 121.852 6.072 18905 5889 1 10 . 1 1 50 50 LEU HA H 50 4.650 4.650 4.916 -0.266 18905 5890 1 10 . 1 1 50 50 LEU C C 50 172.488 172.488 174.955 -2.467 18905 5891 1 10 . 1 1 50 50 LEU CA C 50 50.523 50.523 53.945 -3.422 18905 5892 1 10 . 1 1 50 50 LEU CB C 50 42.647 42.647 43.658 -1.012 18905 5893 1 10 . 1 1 50 50 LEU H H 50 7.904 7.904 7.798 0.106 18905 5894 1 10 . 1 1 51 51 SER N N 51 114.999 114.999 113.202 1.797 18905 5895 1 10 . 1 1 51 51 SER HA H 51 4.783 4.783 4.934 -0.151 18905 5896 1 10 . 1 1 51 51 SER C C 51 172.827 172.827 175.121 -2.294 18905 5897 1 10 . 1 1 51 51 SER CA C 51 53.708 53.708 56.952 -3.244 18905 5898 1 10 . 1 1 51 51 SER CB C 51 63.424 63.424 66.020 -2.596 18905 5899 1 10 . 1 1 51 51 SER H H 51 8.623 8.623 8.438 0.185 18905 5900 1 10 . 1 1 52 52 SER N N 52 118.355 118.355 117.387 0.968 18905 5901 1 10 . 1 1 52 52 SER HA H 52 4.301 4.301 4.199 0.102 18905 5902 1 10 . 1 1 52 52 SER C C 52 173.242 173.242 175.546 -2.304 18905 5903 1 10 . 1 1 52 52 SER CA C 52 58.709 58.709 60.837 -2.128 18905 5904 1 10 . 1 1 52 52 SER CB C 52 59.826 59.826 62.978 -3.152 18905 5905 1 10 . 1 1 52 52 SER H H 52 9.117 9.117 8.639 0.478 18905 5906 1 10 . 1 1 53 53 SER N N 53 114.926 114.926 116.932 -2.006 18905 5907 1 10 . 1 1 53 53 SER HA H 53 4.292 4.292 4.236 0.056 18905 5908 1 10 . 1 1 53 53 SER CA C 53 57.882 57.882 60.280 -2.398 18905 5909 1 10 . 1 1 53 53 SER CB C 53 60.220 60.220 63.064 -2.844 18905 5910 1 10 . 1 1 53 53 SER H H 53 8.014 8.014 8.092 -0.078 18905 5911 1 10 . 1 1 54 54 ASN N N 54 116.432 116.432 118.257 -1.825 18905 5912 1 10 . 1 1 54 54 ASN HA H 54 4.914 4.914 4.593 0.321 18905 5913 1 10 . 1 1 54 54 ASN C C 54 170.744 170.744 175.914 -5.170 18905 5914 1 10 . 1 1 54 54 ASN CA C 54 52.054 52.054 55.173 -3.119 18905 5915 1 10 . 1 1 54 54 ASN CB C 54 38.952 38.952 38.875 0.077 18905 5916 1 10 . 1 1 54 54 ASN H H 54 7.996 7.996 7.835 0.161 18905 5917 1 10 . 1 1 55 55 VAL N N 55 118.877 118.877 121.850 -2.973 18905 5918 1 10 . 1 1 55 55 VAL HA H 55 4.891 4.891 4.489 0.402 18905 5919 1 10 . 1 1 55 55 VAL C C 55 171.238 171.238 174.583 -3.345 18905 5920 1 10 . 1 1 55 55 VAL CA C 55 58.709 58.709 61.421 -2.712 18905 5921 1 10 . 1 1 55 55 VAL CB C 55 31.652 31.652 30.517 1.135 18905 5922 1 10 . 1 1 55 55 VAL H H 55 7.421 7.421 7.283 0.138 18905 5923 1 10 . 1 1 56 56 ARG N N 56 125.757 125.757 128.301 -2.544 18905 5924 1 10 . 1 1 56 56 ARG HA H 56 4.708 4.708 4.308 0.400 18905 5925 1 10 . 1 1 56 56 ARG C C 56 172.321 172.321 175.469 -3.148 18905 5926 1 10 . 1 1 56 56 ARG CA C 56 51.878 51.878 54.677 -2.799 18905 5927 1 10 . 1 1 56 56 ARG CB C 56 30.211 30.211 29.982 0.230 18905 5928 1 10 . 1 1 56 56 ARG H H 56 9.011 9.011 8.414 0.597 18905 5929 1 10 . 1 1 57 57 VAL N N 57 125.646 125.646 127.729 -2.083 18905 5930 1 10 . 1 1 57 57 VAL HA H 57 3.878 3.878 3.852 0.026 18905 5931 1 10 . 1 1 57 57 VAL C C 57 172.129 172.129 175.330 -3.201 18905 5932 1 10 . 1 1 57 57 VAL CA C 57 59.043 59.043 63.114 -4.072 18905 5933 1 10 . 1 1 57 57 VAL CB C 57 30.019 30.019 31.657 -1.638 18905 5934 1 10 . 1 1 57 57 VAL H H 57 8.794 8.794 8.078 0.716 18905 5935 1 10 . 1 1 58 58 ILE N N 58 127.547 127.547 128.640 -1.093 18905 5936 1 10 . 1 1 58 58 ILE HA H 58 4.049 4.049 4.075 -0.026 18905 5937 1 10 . 1 1 58 58 ILE C C 58 172.672 172.672 175.084 -2.412 18905 5938 1 10 . 1 1 58 58 ILE CA C 58 57.246 57.246 59.757 -2.511 18905 5939 1 10 . 1 1 58 58 ILE CB C 58 32.839 32.839 37.935 -5.096 18905 5940 1 10 . 1 1 58 58 ILE H H 58 7.259 7.259 8.062 -0.803 18905 5941 1 10 . 1 1 59 59 LYS N N 59 127.231 127.231 122.336 4.895 18905 5942 1 10 . 1 1 59 59 LYS HA H 59 4.532 4.532 4.752 -0.220 18905 5943 1 10 . 1 1 59 59 LYS C C 59 173.119 173.119 175.540 -2.421 18905 5944 1 10 . 1 1 59 59 LYS CA C 59 52.444 52.444 54.648 -2.204 18905 5945 1 10 . 1 1 59 59 LYS CB C 59 32.374 32.374 35.936 -3.562 18905 5946 1 10 . 1 1 59 59 LYS H H 59 8.571 8.571 8.040 0.531 18905 5947 1 10 . 1 1 60 60 ASP N N 60 123.232 123.232 120.975 2.257 18905 5948 1 10 . 1 1 60 60 ASP HA H 60 4.496 4.496 4.546 -0.050 18905 5949 1 10 . 1 1 60 60 ASP C C 60 174.118 174.118 176.367 -2.249 18905 5950 1 10 . 1 1 60 60 ASP CA C 60 50.786 50.786 55.176 -4.390 18905 5951 1 10 . 1 1 60 60 ASP CB C 60 40.058 40.058 42.027 -1.969 18905 5952 1 10 . 1 1 60 60 ASP H H 60 8.527 8.527 8.632 -0.105 18905 5953 1 10 . 1 1 61 61 LYS N N 61 125.977 125.977 119.536 6.441 18905 5954 1 10 . 1 1 61 61 LYS HA H 61 3.918 3.918 4.274 -0.356 18905 5955 1 10 . 1 1 61 61 LYS C C 61 174.696 174.696 178.086 -3.390 18905 5956 1 10 . 1 1 61 61 LYS CA C 61 56.017 56.017 57.880 -1.863 18905 5957 1 10 . 1 1 61 61 LYS CB C 61 29.813 29.813 32.988 -3.175 18905 5958 1 10 . 1 1 61 61 LYS H H 61 8.770 8.770 8.457 0.313 18905 5959 1 10 . 1 1 62 62 GLN N N 62 116.732 116.732 119.015 -2.283 18905 5960 1 10 . 1 1 62 62 GLN HA H 62 4.252 4.252 4.184 0.068 18905 5961 1 10 . 1 1 62 62 GLN C C 62 174.793 174.793 176.403 -1.610 18905 5962 1 10 . 1 1 62 62 GLN CA C 62 55.001 55.001 57.401 -2.400 18905 5963 1 10 . 1 1 62 62 GLN CB C 62 26.516 26.516 29.298 -2.782 18905 5964 1 10 . 1 1 62 62 GLN H H 62 8.538 8.538 8.934 -0.396 18905 5965 1 10 . 1 1 63 63 THR N N 63 108.519 108.519 108.719 -0.200 18905 5966 1 10 . 1 1 63 63 THR HA H 63 4.265 4.265 4.569 -0.304 18905 5967 1 10 . 1 1 63 63 THR CA C 63 59.302 59.302 59.950 -0.648 18905 5968 1 10 . 1 1 63 63 THR CB C 63 67.891 67.891 71.121 -3.230 18905 5969 1 10 . 1 1 63 63 THR H H 63 7.882 7.882 7.319 0.563 18905 5970 1 10 . 1 1 64 64 GLN N N 64 113.890 113.890 118.072 -4.182 18905 5971 1 10 . 1 1 64 64 GLN HA H 64 3.829 3.829 4.587 -0.758 18905 5972 1 10 . 1 1 64 64 GLN C C 64 172.129 172.129 174.872 -2.743 18905 5973 1 10 . 1 1 64 64 GLN CA C 64 54.560 54.560 54.618 -0.058 18905 5974 1 10 . 1 1 64 64 GLN CB C 64 23.812 23.812 28.602 -4.790 18905 5975 1 10 . 1 1 64 64 GLN H H 64 8.188 8.188 8.434 -0.246 18905 5976 1 10 . 1 1 65 65 LEU N N 65 119.516 119.516 121.297 -1.781 18905 5977 1 10 . 1 1 65 65 LEU HA H 65 4.463 4.463 4.555 -0.092 18905 5978 1 10 . 1 1 65 65 LEU C C 65 174.174 174.174 175.983 -1.809 18905 5979 1 10 . 1 1 65 65 LEU CA C 65 51.024 51.024 53.606 -2.583 18905 5980 1 10 . 1 1 65 65 LEU CB C 65 39.608 39.608 43.766 -4.158 18905 5981 1 10 . 1 1 65 65 LEU H H 65 7.682 7.682 7.269 0.413 18905 5982 1 10 . 1 1 66 66 ASN N N 66 117.776 117.776 119.272 -1.496 18905 5983 1 10 . 1 1 66 66 ASN HA H 66 4.958 4.958 5.035 -0.077 18905 5984 1 10 . 1 1 66 66 ASN C C 66 171.913 171.913 176.410 -4.497 18905 5985 1 10 . 1 1 66 66 ASN CA C 66 50.440 50.440 52.426 -1.986 18905 5986 1 10 . 1 1 66 66 ASN CB C 66 36.771 36.771 39.215 -2.444 18905 5987 1 10 . 1 1 66 66 ASN H H 66 8.771 8.771 8.148 0.623 18905 5988 1 10 . 1 1 67 67 ARG N N 67 117.508 117.508 123.498 -5.990 18905 5989 1 10 . 1 1 67 67 ARG HA H 67 4.193 4.193 4.328 -0.135 18905 5990 1 10 . 1 1 67 67 ARG CA C 67 53.615 53.615 57.477 -3.862 18905 5991 1 10 . 1 1 67 67 ARG CB C 67 28.137 28.137 30.178 -2.041 18905 5992 1 10 . 1 1 67 67 ARG H H 67 8.313 8.313 8.484 -0.171 18905 5993 1 10 . 1 1 68 68 GLY N N 68 107.904 107.904 106.599 1.305 18905 5994 1 10 . 1 1 68 68 GLY CA C 68 42.842 42.842 44.998 -2.156 18905 5995 1 10 . 1 1 68 68 GLY H H 68 9.437 9.437 8.573 0.864 18905 5996 1 10 . 1 1 69 69 PHE N N 69 113.804 113.804 115.199 -1.395 18905 5997 1 10 . 1 1 69 69 PHE HA H 69 5.754 5.754 5.595 0.159 18905 5998 1 10 . 1 1 69 69 PHE C C 69 170.151 170.151 172.891 -2.740 18905 5999 1 10 . 1 1 69 69 PHE CA C 69 51.625 51.625 54.729 -3.104 18905 6000 1 10 . 1 1 69 69 PHE CB C 69 39.587 39.587 41.436 -1.849 18905 6001 1 10 . 1 1 69 69 PHE H H 69 6.750 6.750 7.355 -0.605 18905 6002 1 10 . 1 1 70 70 ALA N N 70 118.965 118.965 119.084 -0.119 18905 6003 1 10 . 1 1 70 70 ALA HA H 70 4.807 4.807 4.329 0.478 18905 6004 1 10 . 1 1 70 70 ALA C C 70 171.693 171.693 174.537 -2.844 18905 6005 1 10 . 1 1 70 70 ALA CA C 70 47.155 47.155 51.290 -4.135 18905 6006 1 10 . 1 1 70 70 ALA CB C 70 21.153 21.153 22.194 -1.041 18905 6007 1 10 . 1 1 70 70 ALA H H 70 8.526 8.526 7.978 0.548 18905 6008 1 10 . 1 1 71 71 PHE N N 71 117.469 117.469 118.086 -0.617 18905 6009 1 10 . 1 1 71 71 PHE HA H 71 5.537 5.537 5.430 0.107 18905 6010 1 10 . 1 1 71 71 PHE C C 71 172.630 172.630 174.064 -1.434 18905 6011 1 10 . 1 1 71 71 PHE CA C 71 52.609 52.609 55.902 -3.293 18905 6012 1 10 . 1 1 71 71 PHE CB C 71 39.675 39.675 44.244 -4.569 18905 6013 1 10 . 1 1 71 71 PHE H H 71 8.824 8.824 8.628 0.196 18905 6014 1 10 . 1 1 72 72 ILE N N 72 122.867 122.867 122.030 0.837 18905 6015 1 10 . 1 1 72 72 ILE HA H 72 5.022 5.022 4.742 0.280 18905 6016 1 10 . 1 1 72 72 ILE CA C 72 56.881 56.881 60.396 -3.515 18905 6017 1 10 . 1 1 72 72 ILE CB C 72 37.031 37.031 42.078 -5.047 18905 6018 1 10 . 1 1 72 72 ILE H H 72 9.555 9.555 9.346 0.209 18905 6019 1 10 . 1 1 73 73 GLN N N 73 128.422 128.422 127.299 1.123 18905 6020 1 10 . 1 1 73 73 GLN HA H 73 5.170 5.170 4.489 0.681 18905 6021 1 10 . 1 1 73 73 GLN CA C 73 52.252 52.252 55.811 -3.559 18905 6022 1 10 . 1 1 73 73 GLN CB C 73 28.291 28.291 30.132 -1.841 18905 6023 1 10 . 1 1 73 73 GLN H H 73 8.964 8.964 8.101 0.863 18905 6024 1 10 . 1 1 74 74 LEU N N 74 126.707 126.707 124.090 2.617 18905 6025 1 10 . 1 1 74 74 LEU HA H 74 4.789 4.789 4.663 0.126 18905 6026 1 10 . 1 1 74 74 LEU CA C 74 50.617 50.617 53.270 -2.653 18905 6027 1 10 . 1 1 74 74 LEU CB C 74 44.885 44.885 46.495 -1.610 18905 6028 1 10 . 1 1 74 74 LEU H H 74 8.420 8.420 8.588 -0.168 18905 6029 1 10 . 1 1 75 75 SER HA H 75 4.284 4.284 4.574 -0.290 18905 6030 1 10 . 1 1 75 75 SER CA C 75 55.390 55.390 57.805 -2.415 18905 6031 1 10 . 1 1 75 75 SER CB C 75 61.275 61.275 64.367 -3.092 18905 6032 1 10 . 1 1 76 76 THR N N 76 116.193 116.193 118.635 -2.442 18905 6033 1 10 . 1 1 76 76 THR HA H 76 3.994 3.994 4.136 -0.142 18905 6034 1 10 . 1 1 76 76 THR C C 76 174.630 174.630 176.848 -2.218 18905 6035 1 10 . 1 1 76 76 THR CA C 76 64.225 64.225 66.530 -2.305 18905 6036 1 10 . 1 1 76 76 THR CB C 76 66.003 66.003 68.834 -2.831 18905 6037 1 10 . 1 1 76 76 THR H H 76 8.614 8.614 8.640 -0.026 18905 6038 1 10 . 1 1 77 77 ILE N N 77 120.400 120.400 120.706 -0.306 18905 6039 1 10 . 1 1 77 77 ILE HA H 77 3.911 3.911 3.728 0.183 18905 6040 1 10 . 1 1 77 77 ILE C C 77 175.577 175.577 177.942 -2.365 18905 6041 1 10 . 1 1 77 77 ILE CA C 77 61.264 61.264 65.567 -4.303 18905 6042 1 10 . 1 1 77 77 ILE CB C 77 35.379 35.379 37.293 -1.914 18905 6043 1 10 . 1 1 77 77 ILE H H 77 8.044 8.044 8.182 -0.138 18905 6044 1 10 . 1 1 78 78 GLU N N 78 120.562 120.562 120.115 0.447 18905 6045 1 10 . 1 1 78 78 GLU HA H 78 4.062 4.062 4.073 -0.011 18905 6046 1 10 . 1 1 78 78 GLU C C 78 176.596 176.596 178.779 -2.183 18905 6047 1 10 . 1 1 78 78 GLU CA C 78 56.355 56.355 59.634 -3.279 18905 6048 1 10 . 1 1 78 78 GLU CB C 78 27.668 27.668 29.198 -1.530 18905 6049 1 10 . 1 1 78 78 GLU H H 78 7.548 7.548 8.572 -1.024 18905 6050 1 10 . 1 1 79 79 ALA N N 79 122.789 122.789 122.387 0.402 18905 6051 1 10 . 1 1 79 79 ALA HA H 79 3.923 3.923 4.193 -0.270 18905 6052 1 10 . 1 1 79 79 ALA C C 79 175.736 175.736 179.630 -3.894 18905 6053 1 10 . 1 1 79 79 ALA CA C 79 52.649 52.649 55.275 -2.626 18905 6054 1 10 . 1 1 79 79 ALA CB C 79 15.305 15.305 18.204 -2.900 18905 6055 1 10 . 1 1 79 79 ALA H H 79 9.279 9.279 8.417 0.862 18905 6056 1 10 . 1 1 80 80 ALA N N 80 118.643 118.643 120.023 -1.380 18905 6057 1 10 . 1 1 80 80 ALA HA H 80 4.001 4.001 4.077 -0.076 18905 6058 1 10 . 1 1 80 80 ALA C C 80 177.943 177.943 179.400 -1.457 18905 6059 1 10 . 1 1 80 80 ALA CA C 80 52.521 52.521 54.712 -2.191 18905 6060 1 10 . 1 1 80 80 ALA CB C 80 15.281 15.281 18.489 -3.208 18905 6061 1 10 . 1 1 80 80 ALA H H 80 7.688 7.688 7.851 -0.163 18905 6062 1 10 . 1 1 81 81 GLN N N 81 116.877 116.877 116.899 -0.022 18905 6063 1 10 . 1 1 81 81 GLN HA H 81 4.015 4.015 4.231 -0.216 18905 6064 1 10 . 1 1 81 81 GLN CA C 81 55.760 55.760 57.775 -2.015 18905 6065 1 10 . 1 1 81 81 GLN CB C 81 25.786 25.786 29.134 -3.348 18905 6066 1 10 . 1 1 81 81 GLN H H 81 7.593 7.593 7.862 -0.269 18905 6067 1 10 . 1 1 82 82 LEU N N 82 119.946 119.946 122.389 -2.443 18905 6068 1 10 . 1 1 82 82 LEU HA H 82 4.121 4.121 4.123 -0.002 18905 6069 1 10 . 1 1 82 82 LEU C C 82 175.358 175.358 179.420 -4.062 18905 6070 1 10 . 1 1 82 82 LEU CA C 82 54.781 54.781 57.568 -2.787 18905 6071 1 10 . 1 1 82 82 LEU CB C 82 38.240 38.240 40.979 -2.739 18905 6072 1 10 . 1 1 82 82 LEU H H 82 8.258 8.258 8.569 -0.311 18905 6073 1 10 . 1 1 83 83 LEU N N 83 119.288 119.288 120.056 -0.768 18905 6074 1 10 . 1 1 83 83 LEU HA H 83 3.585 3.585 3.994 -0.409 18905 6075 1 10 . 1 1 83 83 LEU C C 83 175.365 175.365 178.059 -2.694 18905 6076 1 10 . 1 1 83 83 LEU CA C 83 56.142 56.142 57.883 -1.741 18905 6077 1 10 . 1 1 83 83 LEU CB C 83 38.875 38.875 41.895 -3.020 18905 6078 1 10 . 1 1 83 83 LEU H H 83 8.407 8.407 7.667 0.740 18905 6079 1 10 . 1 1 84 84 GLN N N 84 115.391 115.391 116.954 -1.563 18905 6080 1 10 . 1 1 84 84 GLN HA H 84 3.878 3.878 4.119 -0.241 18905 6081 1 10 . 1 1 84 84 GLN C C 84 176.472 176.472 177.462 -0.990 18905 6082 1 10 . 1 1 84 84 GLN CA C 84 56.142 56.142 57.736 -1.594 18905 6083 1 10 . 1 1 84 84 GLN CB C 84 25.733 25.733 29.136 -3.403 18905 6084 1 10 . 1 1 84 84 GLN H H 84 7.347 7.347 7.638 -0.291 18905 6085 1 10 . 1 1 85 85 ILE N N 85 119.593 119.593 119.014 0.579 18905 6086 1 10 . 1 1 85 85 ILE HA H 85 3.607 3.607 3.851 -0.244 18905 6087 1 10 . 1 1 85 85 ILE CA C 85 61.779 61.779 63.415 -1.636 18905 6088 1 10 . 1 1 85 85 ILE CB C 85 35.948 35.948 38.671 -2.723 18905 6089 1 10 . 1 1 85 85 ILE H H 85 7.650 7.650 7.970 -0.320 18905 6090 1 10 . 1 1 86 86 LEU N N 86 116.537 116.537 120.183 -3.646 18905 6091 1 10 . 1 1 86 86 LEU HA H 86 3.757 3.757 4.066 -0.309 18905 6092 1 10 . 1 1 86 86 LEU C C 86 177.610 177.610 178.593 -0.983 18905 6093 1 10 . 1 1 86 86 LEU CA C 86 54.521 54.521 57.782 -3.261 18905 6094 1 10 . 1 1 86 86 LEU CB C 86 39.226 39.226 41.140 -1.914 18905 6095 1 10 . 1 1 86 86 LEU H H 86 8.410 8.410 7.657 0.753 18905 6096 1 10 . 1 1 87 87 GLN N N 87 115.959 115.959 116.761 -0.802 18905 6097 1 10 . 1 1 87 87 GLN HA H 87 4.009 4.009 4.253 -0.244 18905 6098 1 10 . 1 1 87 87 GLN C C 87 174.156 174.156 176.221 -2.065 18905 6099 1 10 . 1 1 87 87 GLN CA C 87 55.735 55.735 56.923 -1.188 18905 6100 1 10 . 1 1 87 87 GLN CB C 87 25.516 25.516 28.465 -2.949 18905 6101 1 10 . 1 1 87 87 GLN H H 87 8.406 8.406 8.245 0.161 18905 6102 1 10 . 1 1 88 88 ALA N N 88 120.044 120.044 121.851 -1.807 18905 6103 1 10 . 1 1 88 88 ALA HA H 88 4.338 4.338 4.488 -0.150 18905 6104 1 10 . 1 1 88 88 ALA C C 88 174.373 174.373 176.166 -1.793 18905 6105 1 10 . 1 1 88 88 ALA CA C 88 48.933 48.933 52.291 -3.358 18905 6106 1 10 . 1 1 88 88 ALA CB C 88 16.681 16.681 19.838 -3.157 18905 6107 1 10 . 1 1 88 88 ALA H H 88 7.110 7.110 8.016 -0.906 18905 6108 1 10 . 1 1 89 89 LEU N N 89 119.696 119.696 118.151 1.545 18905 6109 1 10 . 1 1 89 89 LEU HA H 89 3.929 3.929 4.710 -0.781 18905 6110 1 10 . 1 1 89 89 LEU C C 89 175.387 175.387 175.247 0.140 18905 6111 1 10 . 1 1 89 89 LEU CA C 89 53.364 53.364 53.374 -0.010 18905 6112 1 10 . 1 1 89 89 LEU CB C 89 39.775 39.775 43.583 -3.808 18905 6113 1 10 . 1 1 89 89 LEU H H 89 6.693 6.693 7.389 -0.697 18905 6114 1 10 . 1 1 90 90 HIS N N 90 120.136 120.136 115.580 4.556 18905 6115 1 10 . 1 1 90 90 HIS HA H 90 4.419 4.419 5.033 -0.614 18905 6116 1 10 . 1 1 90 90 HIS CA C 90 50.226 50.226 53.614 -3.388 18905 6117 1 10 . 1 1 90 90 HIS CB C 90 27.853 27.853 29.929 -2.076 18905 6118 1 10 . 1 1 90 90 HIS H H 90 8.299 8.299 8.034 0.265 18905 6119 1 10 . 1 1 91 91 PRO HA H 91 4.367 4.367 4.676 -0.309 18905 6120 1 10 . 1 1 91 91 PRO CA C 91 60.550 60.550 61.970 -1.420 18905 6121 1 10 . 1 1 91 91 PRO CB C 91 29.416 29.416 31.935 -2.519 18905 6122 1 10 . 1 1 92 92 PRO HA H 92 4.815 4.815 4.518 0.297 18905 6123 1 10 . 1 1 92 92 PRO CA C 92 59.812 59.812 63.244 -3.432 18905 6124 1 10 . 1 1 92 92 PRO CB C 92 30.119 30.119 31.995 -1.876 18905 6125 1 10 . 1 1 93 93 LEU N N 93 121.469 121.469 121.372 0.097 18905 6126 1 10 . 1 1 93 93 LEU HA H 93 3.954 3.954 4.443 -0.489 18905 6127 1 10 . 1 1 93 93 LEU CA C 93 53.500 53.500 54.361 -0.861 18905 6128 1 10 . 1 1 93 93 LEU CB C 93 39.889 39.889 40.147 -0.258 18905 6129 1 10 . 1 1 93 93 LEU H H 93 8.404 8.404 7.926 0.478 18905 6130 1 10 . 1 1 94 94 THR HA H 94 5.276 5.276 4.220 1.056 18905 6131 1 10 . 1 1 94 94 THR CA C 94 57.077 57.077 63.920 -6.843 18905 6132 1 10 . 1 1 94 94 THR CB C 94 69.076 69.076 69.042 0.034 18905 6133 1 10 . 1 1 95 95 ILE N N 95 121.239 121.239 128.743 -7.504 18905 6134 1 10 . 1 1 95 95 ILE HA H 95 4.184 4.184 4.354 -0.170 18905 6135 1 10 . 1 1 95 95 ILE CA C 95 58.054 58.054 59.857 -1.803 18905 6136 1 10 . 1 1 95 95 ILE CB C 95 37.534 37.534 39.831 -2.297 18905 6137 1 10 . 1 1 95 95 ILE H H 95 8.317 8.317 7.947 0.370 18905 6138 1 10 . 1 1 96 96 ASP N N 96 130.909 130.909 125.960 4.949 18905 6139 1 10 . 1 1 96 96 ASP HA H 96 4.292 4.292 4.291 0.001 18905 6140 1 10 . 1 1 96 96 ASP CA C 96 53.001 53.001 55.893 -2.892 18905 6141 1 10 . 1 1 96 96 ASP CB C 96 37.114 37.114 40.216 -3.102 18905 6142 1 10 . 1 1 96 96 ASP H H 96 9.837 9.837 9.073 0.764 18905 6143 1 10 . 1 1 97 97 GLY N N 97 102.578 102.578 103.150 -0.572 18905 6144 1 10 . 1 1 97 97 GLY C C 97 170.992 170.992 174.429 -3.437 18905 6145 1 10 . 1 1 97 97 GLY CA C 97 42.754 42.754 45.006 -2.252 18905 6146 1 10 . 1 1 97 97 GLY H H 97 8.638 8.638 8.244 0.394 18905 6147 1 10 . 1 1 98 98 LYS N N 98 120.330 120.330 121.843 -1.513 18905 6148 1 10 . 1 1 98 98 LYS HA H 98 4.629 4.629 4.579 0.050 18905 6149 1 10 . 1 1 98 98 LYS C C 98 172.675 172.675 175.401 -2.726 18905 6150 1 10 . 1 1 98 98 LYS CA C 98 50.304 50.304 55.819 -5.515 18905 6151 1 10 . 1 1 98 98 LYS CB C 98 31.136 31.136 33.633 -2.497 18905 6152 1 10 . 1 1 98 98 LYS H H 98 7.440 7.440 8.198 -0.758 18905 6153 1 10 . 1 1 99 99 THR N N 99 119.612 119.612 112.347 7.265 18905 6154 1 10 . 1 1 99 99 THR HA H 99 4.356 4.356 4.642 -0.286 18905 6155 1 10 . 1 1 99 99 THR C C 99 171.511 171.511 173.903 -2.392 18905 6156 1 10 . 1 1 99 99 THR CA C 99 60.382 60.382 60.426 -0.044 18905 6157 1 10 . 1 1 99 99 THR CB C 99 65.967 65.967 70.374 -4.407 18905 6158 1 10 . 1 1 99 99 THR H H 99 8.626 8.626 8.282 0.344 18905 6159 1 10 . 1 1 100 100 ILE N N 100 129.389 129.389 125.486 3.903 18905 6160 1 10 . 1 1 100 100 ILE HA H 100 4.358 4.358 4.289 0.069 18905 6161 1 10 . 1 1 100 100 ILE C C 100 172.710 172.710 176.276 -3.566 18905 6162 1 10 . 1 1 100 100 ILE CA C 100 55.202 55.202 60.990 -5.788 18905 6163 1 10 . 1 1 100 100 ILE CB C 100 34.925 34.925 38.115 -3.190 18905 6164 1 10 . 1 1 100 100 ILE H H 100 8.463 8.463 8.605 -0.142 18905 6165 1 10 . 1 1 101 101 ASN N N 101 123.767 123.767 121.194 2.573 18905 6166 1 10 . 1 1 101 101 ASN HA H 101 4.904 4.904 5.011 -0.107 18905 6167 1 10 . 1 1 101 101 ASN C C 101 170.860 170.860 173.254 -2.394 18905 6168 1 10 . 1 1 101 101 ASN CA C 101 49.884 49.884 51.401 -1.517 18905 6169 1 10 . 1 1 101 101 ASN CB C 101 38.364 38.364 42.224 -3.860 18905 6170 1 10 . 1 1 101 101 ASN H H 101 7.878 7.878 8.397 -0.519 18905 6171 1 10 . 1 1 102 102 VAL N N 102 122.207 122.207 120.360 1.847 18905 6172 1 10 . 1 1 102 102 VAL HA H 102 4.933 4.933 4.435 0.498 18905 6173 1 10 . 1 1 102 102 VAL C C 102 175.222 175.222 173.941 1.281 18905 6174 1 10 . 1 1 102 102 VAL CA C 102 57.981 57.981 60.703 -2.722 18905 6175 1 10 . 1 1 102 102 VAL CB C 102 31.183 31.183 33.143 -1.960 18905 6176 1 10 . 1 1 102 102 VAL H H 102 8.503 8.503 8.389 0.114 18905 6177 1 10 . 1 1 103 103 GLU N N 103 124.079 124.079 128.913 -4.834 18905 6178 1 10 . 1 1 103 103 GLU HA H 103 4.557 4.557 4.623 -0.066 18905 6179 1 10 . 1 1 103 103 GLU CA C 103 51.772 51.772 55.468 -3.696 18905 6180 1 10 . 1 1 103 103 GLU CB C 103 31.226 31.226 34.186 -2.960 18905 6181 1 10 . 1 1 103 103 GLU H H 103 8.627 8.627 8.636 -0.010 18905 6182 1 10 . 1 1 104 104 PHE N N 104 121.287 121.287 121.712 -0.425 18905 6183 1 10 . 1 1 104 104 PHE HA H 104 5.047 5.047 4.989 0.058 18905 6184 1 10 . 1 1 104 104 PHE C C 104 173.023 173.023 174.262 -1.239 18905 6185 1 10 . 1 1 104 104 PHE CA C 104 55.305 55.305 56.977 -1.672 18905 6186 1 10 . 1 1 104 104 PHE CB C 104 38.342 38.342 42.018 -3.676 18905 6187 1 10 . 1 1 104 104 PHE H H 104 8.778 8.778 8.637 0.141 18905 6188 1 10 . 1 1 105 105 ALA N N 105 127.703 127.703 129.834 -2.131 18905 6189 1 10 . 1 1 105 105 ALA HA H 105 4.278 4.278 4.751 -0.473 18905 6190 1 10 . 1 1 105 105 ALA C C 105 172.939 172.939 175.701 -2.762 18905 6191 1 10 . 1 1 105 105 ALA CA C 105 48.936 48.936 51.309 -2.373 18905 6192 1 10 . 1 1 105 105 ALA CB C 105 17.822 17.822 19.130 -1.308 18905 6193 1 10 . 1 1 105 105 ALA H H 105 8.630 8.630 8.640 -0.010 18905 6194 1 10 . 1 1 106 106 LYS N N 106 121.259 121.259 120.045 1.214 18905 6195 1 10 . 1 1 106 106 LYS HA H 106 4.211 4.211 4.675 -0.464 18905 6196 1 10 . 1 1 106 106 LYS C C 106 174.939 174.939 177.535 -2.596 18905 6197 1 10 . 1 1 106 106 LYS CA C 106 52.995 52.995 55.823 -2.828 18905 6198 1 10 . 1 1 106 106 LYS CB C 106 30.290 30.290 32.911 -2.621 18905 6199 1 10 . 1 1 106 106 LYS H H 106 8.289 8.289 7.591 0.698 18905 6200 1 10 . 1 1 107 107 GLY N N 107 111.965 111.965 107.981 3.984 18905 6201 1 10 . 1 1 107 107 GLY C C 107 171.215 171.215 173.328 -2.113 18905 6202 1 10 . 1 1 107 107 GLY CA C 107 42.651 42.651 44.524 -1.873 18905 6203 1 10 . 1 1 107 107 GLY H H 107 8.921 8.921 8.114 0.807 18905 6204 1 10 . 1 1 108 108 SER N N 108 114.479 114.479 114.369 0.110 18905 6205 1 10 . 1 1 108 108 SER HA H 108 4.294 4.294 4.554 -0.260 18905 6206 1 10 . 1 1 108 108 SER C C 108 172.040 172.040 173.491 -1.451 18905 6207 1 10 . 1 1 108 108 SER CA C 108 55.336 55.336 57.447 -2.111 18905 6208 1 10 . 1 1 108 108 SER H H 108 8.197 8.197 8.349 -0.152 18905 6209 1 10 . 1 1 109 109 LYS N N 109 123.374 123.374 122.479 0.895 18905 6210 1 10 . 1 1 109 109 LYS HA H 109 4.198 4.198 4.414 -0.216 18905 6211 1 10 . 1 1 109 109 LYS C C 109 173.967 173.967 175.710 -1.743 18905 6212 1 10 . 1 1 109 109 LYS CA C 109 53.730 53.730 56.313 -2.583 18905 6213 1 10 . 1 1 109 109 LYS CB C 109 30.137 30.137 32.363 -2.226 18905 6214 1 10 . 1 1 109 109 LYS H H 109 8.306 8.306 8.447 -0.141 18905 6215 1 10 . 1 1 110 110 ARG N N 110 134.189 134.189 125.281 8.908 18905 6216 1 10 . 1 1 110 110 ARG HA H 110 4.542 4.542 4.448 0.094 18905 6217 1 10 . 1 1 110 110 ARG C C 110 173.119 173.119 173.849 -0.730 18905 6218 1 10 . 1 1 110 110 ARG CA C 110 52.474 52.474 56.155 -3.681 18905 6219 1 10 . 1 1 110 110 ARG CB C 110 32.296 32.296 31.839 0.457 18905 6220 1 10 . 1 1 111 111 ASP N N 111 123.210 123.210 121.487 1.723 18905 6221 1 10 . 1 1 111 111 ASP HA H 111 4.519 4.519 4.902 -0.383 18905 6222 1 10 . 1 1 111 111 ASP C C 111 174.187 174.187 175.032 -0.845 18905 6223 1 10 . 1 1 111 111 ASP CA C 111 52.307 52.307 53.565 -1.258 18905 6224 1 10 . 1 1 111 111 ASP CB C 111 40.206 40.206 42.704 -2.498 18905 6225 1 10 . 1 1 111 111 ASP H H 111 8.523 8.523 8.255 0.268 18905 6226 1 10 . 1 1 112 112 MET HA H 112 4.330 4.330 4.820 -0.490 18905 6227 1 10 . 1 1 112 112 MET CA C 112 53.074 53.074 55.296 -2.222 18905 6228 1 10 . 1 1 112 112 MET CB C 112 30.057 30.057 34.915 -4.858 18905 6229 1 10 . 1 1 113 113 ALA N N 113 124.061 124.061 123.703 0.358 18905 6230 1 10 . 1 1 113 113 ALA HA H 113 4.229 4.229 4.855 -0.626 18905 6231 1 10 . 1 1 113 113 ALA C C 113 175.243 175.243 175.659 -0.416 18905 6232 1 10 . 1 1 113 113 ALA CA C 113 49.967 49.967 51.950 -1.983 18905 6233 1 10 . 1 1 113 113 ALA CB C 113 16.436 16.436 20.641 -4.205 18905 6234 1 10 . 1 1 113 113 ALA H H 113 8.214 8.214 8.122 0.092 18905 6235 1 10 . 1 1 114 114 SER N N 114 114.286 114.286 115.556 -1.270 18905 6236 1 10 . 1 1 114 114 SER HA H 114 4.376 4.376 5.016 -0.640 18905 6237 1 10 . 1 1 114 114 SER CA C 114 55.596 55.596 58.234 -2.638 18905 6238 1 10 . 1 1 114 114 SER CB C 114 61.009 61.009 64.689 -3.680 18905 6239 1 10 . 1 1 114 114 SER H H 114 8.124 8.124 8.751 -0.627 18905 6240 1 10 . 1 1 119 119 ARG N N 119 122.813 122.813 122.549 0.264 18905 6241 1 10 . 1 1 119 119 ARG HA H 119 4.294 4.294 4.551 -0.257 18905 6242 1 10 . 1 1 119 119 ARG C C 119 173.654 173.654 174.384 -0.730 18905 6243 1 10 . 1 1 119 119 ARG CA C 119 53.701 53.701 55.968 -2.267 18905 6244 1 10 . 1 1 119 119 ARG CB C 119 28.140 28.140 28.931 -0.791 18905 6245 1 10 . 1 1 119 119 ARG H H 119 8.246 8.246 8.046 0.200 18905 6246 1 10 . 1 1 120 120 ILE N N 120 121.624 121.624 124.578 -2.954 18905 6247 1 10 . 1 1 120 120 ILE HA H 120 4.099 4.099 4.519 -0.420 18905 6248 1 10 . 1 1 120 120 ILE C C 120 173.651 173.651 175.419 -1.768 18905 6249 1 10 . 1 1 120 120 ILE CA C 120 58.593 58.593 60.462 -1.869 18905 6250 1 10 . 1 1 120 120 ILE CB C 120 36.091 36.091 39.532 -3.441 18905 6251 1 10 . 1 1 120 120 ILE H H 120 8.084 8.084 8.211 -0.127 18905 6252 1 10 . 1 1 121 121 SER N N 121 119.953 119.953 120.477 -0.524 18905 6253 1 10 . 1 1 121 121 SER HA H 121 4.378 4.378 4.625 -0.247 18905 6254 1 10 . 1 1 121 121 SER C C 121 170.780 170.780 173.857 -3.077 18905 6255 1 10 . 1 1 121 121 SER CA C 121 55.506 55.506 57.794 -2.288 18905 6256 1 10 . 1 1 121 121 SER CB C 121 61.571 61.571 64.629 -3.058 18905 6257 1 10 . 1 1 121 121 SER H H 121 8.300 8.300 8.447 -0.147 18905 6258 1 10 . 1 1 123 123 ALA N N 123 119.892 119.892 120.356 -0.464 18905 6259 1 10 . 1 1 123 123 ALA HA H 123 4.102 4.102 4.373 -0.271 18905 6260 1 10 . 1 1 123 123 ALA CA C 123 58.473 58.473 52.348 6.125 18905 6261 1 10 . 1 1 123 123 ALA H H 123 8.305 8.305 8.275 0.030 18905 6262 1 10 . 1 1 124 124 SER N N 124 122.264 122.264 113.668 8.596 18905 6263 1 10 . 1 1 124 124 SER HA H 124 4.384 4.384 5.121 -0.737 18905 6264 1 10 . 1 1 124 124 SER CA C 124 55.632 55.632 58.017 -2.385 18905 6265 1 10 . 1 1 124 124 SER CB C 124 60.925 60.925 65.784 -4.859 18905 6266 1 10 . 1 1 124 124 SER H H 124 8.353 8.353 8.160 0.193 18905 6267 1 10 . 1 1 125 125 VAL N N 125 121.433 121.433 119.749 1.684 18905 6268 1 10 . 1 1 125 125 VAL HA H 125 4.073 4.073 4.909 -0.836 18905 6269 1 10 . 1 1 125 125 VAL C C 125 173.240 173.240 173.958 -0.718 18905 6270 1 10 . 1 1 125 125 VAL CA C 125 59.588 59.588 61.518 -1.930 18905 6271 1 10 . 1 1 125 125 VAL CB C 125 30.198 30.198 34.172 -3.974 18905 6272 1 10 . 1 1 125 125 VAL H H 125 8.014 8.014 8.728 -0.714 18905 6273 1 10 . 1 1 126 126 ALA N N 126 127.185 127.185 126.824 0.361 18905 6274 1 10 . 1 1 126 126 ALA HA H 126 4.278 4.278 5.118 -0.840 18905 6275 1 10 . 1 1 126 126 ALA C C 126 175.118 175.118 175.748 -0.630 18905 6276 1 10 . 1 1 126 126 ALA CA C 126 49.919 49.919 51.698 -1.779 18905 6277 1 10 . 1 1 126 126 ALA CB C 126 16.532 16.532 21.204 -4.673 18905 6278 1 10 . 1 1 126 126 ALA H H 126 8.277 8.277 8.780 -0.503 18905 6279 1 10 . 1 1 127 127 SER N N 127 115.148 115.148 114.702 0.446 18905 6280 1 10 . 1 1 127 127 SER HA H 127 4.420 4.420 4.651 -0.231 18905 6281 1 10 . 1 1 127 127 SER C C 127 172.168 172.168 174.309 -2.141 18905 6282 1 10 . 1 1 127 127 SER CA C 127 55.770 55.770 58.359 -2.589 18905 6283 1 10 . 1 1 127 127 SER CB C 127 58.992 58.992 63.918 -4.926 18905 6284 1 10 . 1 1 127 127 SER H H 127 8.249 8.249 8.829 -0.580 18905 6285 1 10 . 1 1 128 128 THR N N 128 115.498 115.498 114.303 1.195 18905 6286 1 10 . 1 1 128 128 THR C C 128 171.392 171.392 172.410 -1.018 18905 6287 1 10 . 1 1 128 128 THR CA C 128 59.083 59.083 60.861 -1.778 18905 6288 1 10 . 1 1 128 128 THR H H 128 8.050 8.050 8.077 -0.027 18905 6289 1 10 . 1 1 129 129 ALA N N 129 126.543 126.543 125.465 1.078 18905 6290 1 10 . 1 1 129 129 ALA HA H 129 4.236 4.236 5.059 -0.823 18905 6291 1 10 . 1 1 129 129 ALA C C 129 174.650 174.650 175.716 -1.066 18905 6292 1 10 . 1 1 129 129 ALA CA C 129 49.794 49.794 51.469 -1.675 18905 6293 1 10 . 1 1 129 129 ALA CB C 129 16.538 16.538 20.946 -4.408 18905 6294 1 10 . 1 1 129 129 ALA H H 129 8.160 8.160 8.601 -0.441 18905 6295 1 10 . 1 1 130 130 ILE N N 130 120.371 120.371 117.622 2.749 18905 6296 1 10 . 1 1 130 130 ILE HA H 130 4.099 4.099 5.046 -0.947 18905 6297 1 10 . 1 1 130 130 ILE C C 130 173.651 173.651 176.058 -2.407 18905 6298 1 10 . 1 1 130 130 ILE CA C 130 58.513 58.513 61.034 -2.521 18905 6299 1 10 . 1 1 130 130 ILE CB C 130 36.091 36.091 39.017 -2.926 18905 6300 1 10 . 1 1 130 130 ILE H H 130 8.043 8.043 9.937 -1.894 18905 6301 1 11 . 1 1 4 4 GLY N N 4 110.117 110.117 107.519 2.598 18905 6302 1 11 . 1 1 4 4 GLY C C 4 171.413 171.413 174.152 -2.739 18905 6303 1 11 . 1 1 4 4 GLY CA C 4 42.667 42.667 44.442 -1.775 18905 6304 1 11 . 1 1 4 4 GLY H H 4 8.391 8.391 7.928 0.463 18905 6305 1 11 . 1 1 5 5 VAL N N 5 119.501 119.501 119.921 -0.420 18905 6306 1 11 . 1 1 5 5 VAL HA H 5 4.018 4.018 4.191 -0.173 18905 6307 1 11 . 1 1 5 5 VAL C C 5 173.738 173.738 175.732 -1.994 18905 6308 1 11 . 1 1 5 5 VAL CA C 5 59.923 59.923 62.319 -2.396 18905 6309 1 11 . 1 1 5 5 VAL CB C 5 30.111 30.111 32.745 -2.634 18905 6310 1 11 . 1 1 5 5 VAL H H 5 7.951 7.951 8.152 -0.201 18905 6311 1 11 . 1 1 6 6 LEU N N 6 125.484 125.484 125.838 -0.354 18905 6312 1 11 . 1 1 6 6 LEU HA H 6 4.280 4.280 4.654 -0.374 18905 6313 1 11 . 1 1 6 6 LEU C C 6 174.708 174.708 175.827 -1.119 18905 6314 1 11 . 1 1 6 6 LEU CA C 6 52.535 52.535 54.701 -2.166 18905 6315 1 11 . 1 1 6 6 LEU CB C 6 39.586 39.586 41.732 -2.146 18905 6316 1 11 . 1 1 6 6 LEU H H 6 8.248 8.248 8.545 -0.297 18905 6317 1 11 . 1 1 7 7 ALA N N 7 124.939 124.939 126.793 -1.854 18905 6318 1 11 . 1 1 7 7 ALA HA H 7 4.234 4.234 4.743 -0.509 18905 6319 1 11 . 1 1 7 7 ALA C C 7 174.865 174.865 175.897 -1.032 18905 6320 1 11 . 1 1 7 7 ALA CA C 7 50.136 50.136 51.938 -1.802 18905 6321 1 11 . 1 1 7 7 ALA CB C 7 16.500 16.500 20.446 -3.946 18905 6322 1 11 . 1 1 7 7 ALA H H 7 8.241 8.241 8.374 -0.134 18905 6323 1 11 . 1 1 8 8 SER N N 8 117.901 117.901 115.055 2.846 18905 6324 1 11 . 1 1 8 8 SER HA H 8 4.377 4.377 4.936 -0.559 18905 6325 1 11 . 1 1 8 8 SER C C 8 172.221 172.221 172.708 -0.487 18905 6326 1 11 . 1 1 8 8 SER CA C 8 56.008 56.008 58.283 -2.275 18905 6327 1 11 . 1 1 8 8 SER CB C 8 61.008 61.008 64.573 -3.565 18905 6328 1 11 . 1 1 8 8 SER H H 8 8.347 8.347 8.959 -0.612 18905 6329 1 11 . 1 1 9 9 GLN N N 9 122.019 122.019 119.601 2.418 18905 6330 1 11 . 1 1 9 9 GLN HA H 9 4.302 4.302 5.184 -0.882 18905 6331 1 11 . 1 1 9 9 GLN C C 9 173.160 173.160 173.609 -0.449 18905 6332 1 11 . 1 1 9 9 GLN CA C 9 53.470 53.470 54.360 -0.890 18905 6333 1 11 . 1 1 9 9 GLN CB C 9 26.663 26.663 31.099 -4.436 18905 6334 1 11 . 1 1 9 9 GLN H H 9 8.240 8.240 8.660 -0.420 18905 6335 1 11 . 1 1 10 10 ALA N N 10 124.490 124.490 125.622 -1.132 18905 6336 1 11 . 1 1 10 10 ALA HA H 10 4.238 4.238 4.576 -0.338 18905 6337 1 11 . 1 1 10 10 ALA C C 10 175.142 175.142 175.667 -0.525 18905 6338 1 11 . 1 1 10 10 ALA CA C 10 50.121 50.121 51.843 -1.722 18905 6339 1 11 . 1 1 10 10 ALA CB C 10 16.322 16.322 20.270 -3.948 18905 6340 1 11 . 1 1 10 10 ALA H H 10 8.132 8.132 8.461 -0.329 18905 6341 1 11 . 1 1 11 11 LEU N N 11 120.785 120.785 122.790 -2.005 18905 6342 1 11 . 1 1 11 11 LEU HA H 11 4.278 4.278 4.731 -0.453 18905 6343 1 11 . 1 1 11 11 LEU C C 11 174.929 174.929 176.541 -1.612 18905 6344 1 11 . 1 1 11 11 LEU CA C 11 52.612 52.612 55.395 -2.783 18905 6345 1 11 . 1 1 11 11 LEU CB C 11 39.647 39.647 43.712 -4.065 18905 6346 1 11 . 1 1 11 11 LEU H H 11 8.088 8.088 8.429 -0.341 18905 6347 1 11 . 1 1 12 12 SER N N 12 116.121 116.121 117.873 -1.752 18905 6348 1 11 . 1 1 12 12 SER C C 12 171.977 171.977 173.400 -1.423 18905 6349 1 11 . 1 1 12 12 SER CA C 12 55.621 55.621 58.649 -3.028 18905 6350 1 11 . 1 1 12 12 SER CB C 12 56.041 56.041 63.486 -7.445 18905 6351 1 11 . 1 1 12 12 SER H H 12 8.170 8.170 8.378 -0.208 18905 6352 1 11 . 1 1 13 13 GLN N N 13 122.139 122.139 121.680 0.459 18905 6353 1 11 . 1 1 13 13 GLN HA H 13 4.312 4.312 4.494 -0.182 18905 6354 1 11 . 1 1 13 13 GLN CA C 13 54.059 54.059 55.907 -1.849 18905 6355 1 11 . 1 1 13 13 GLN H H 13 8.368 8.368 8.310 0.058 18905 6356 1 11 . 1 1 14 14 GLY N N 14 109.259 109.259 109.984 -0.725 18905 6357 1 11 . 1 1 14 14 GLY CA C 14 42.970 42.970 45.022 -2.052 18905 6358 1 11 . 1 1 14 14 GLY H H 14 8.378 8.378 8.335 0.043 18905 6359 1 11 . 1 1 15 15 SER N N 15 115.486 115.486 115.089 0.397 18905 6360 1 11 . 1 1 15 15 SER HA H 15 4.378 4.378 4.637 -0.259 18905 6361 1 11 . 1 1 15 15 SER CA C 15 55.853 55.853 57.435 -1.582 18905 6362 1 11 . 1 1 15 15 SER CB C 15 59.406 59.406 66.057 -6.651 18905 6363 1 11 . 1 1 15 15 SER H H 15 8.085 8.085 8.084 0.001 18905 6364 1 11 . 1 1 16 16 GLU N N 16 120.501 120.501 121.308 -0.807 18905 6365 1 11 . 1 1 16 16 GLU HA H 16 4.664 4.664 4.866 -0.202 18905 6366 1 11 . 1 1 16 16 GLU CA C 16 50.628 50.628 53.453 -2.825 18905 6367 1 11 . 1 1 16 16 GLU CB C 16 36.442 36.442 32.534 3.908 18905 6368 1 11 . 1 1 16 16 GLU H H 16 8.376 8.376 8.296 0.080 18905 6369 1 11 . 1 1 17 17 PRO CA C 17 65.700 65.700 62.672 3.028 18905 6370 1 11 . 1 1 22 22 ALA N N 22 124.130 124.130 123.116 1.014 18905 6371 1 11 . 1 1 22 22 ALA HA H 22 4.178 4.178 4.648 -0.470 18905 6372 1 11 . 1 1 22 22 ALA CA C 22 49.746 49.746 52.417 -2.671 18905 6373 1 11 . 1 1 22 22 ALA CB C 22 16.789 16.789 20.050 -3.261 18905 6374 1 11 . 1 1 22 22 ALA H H 22 8.096 8.096 8.014 0.082 18905 6375 1 11 . 1 1 23 23 ASN N N 23 117.516 117.516 117.110 0.406 18905 6376 1 11 . 1 1 23 23 ASN HA H 23 4.672 4.672 4.698 -0.026 18905 6377 1 11 . 1 1 23 23 ASN C C 23 171.179 171.179 173.512 -2.333 18905 6378 1 11 . 1 1 23 23 ASN CA C 23 50.084 50.084 52.803 -2.719 18905 6379 1 11 . 1 1 23 23 ASN CB C 23 36.737 36.737 39.721 -2.984 18905 6380 1 11 . 1 1 23 23 ASN H H 23 8.037 8.037 8.567 -0.530 18905 6381 1 11 . 1 1 24 24 ASP N N 24 118.387 118.387 117.962 0.425 18905 6382 1 11 . 1 1 24 24 ASP HA H 24 4.676 4.676 4.832 -0.156 18905 6383 1 11 . 1 1 24 24 ASP CA C 24 50.660 50.660 54.056 -3.396 18905 6384 1 11 . 1 1 24 24 ASP CB C 24 40.670 40.670 42.794 -2.124 18905 6385 1 11 . 1 1 24 24 ASP H H 24 8.198 8.198 7.796 0.402 18905 6386 1 11 . 1 1 25 25 THR N N 25 114.224 114.224 117.470 -3.246 18905 6387 1 11 . 1 1 25 25 THR HA H 25 5.275 5.275 4.594 0.681 18905 6388 1 11 . 1 1 25 25 THR CA C 25 59.162 59.162 61.977 -2.815 18905 6389 1 11 . 1 1 25 25 THR CB C 25 68.849 68.849 71.676 -2.827 18905 6390 1 11 . 1 1 25 25 THR H H 25 8.090 8.090 8.132 -0.042 18905 6391 1 11 . 1 1 26 26 ILE N N 26 126.637 126.637 125.551 1.086 18905 6392 1 11 . 1 1 26 26 ILE HA H 26 4.650 4.650 4.293 0.357 18905 6393 1 11 . 1 1 26 26 ILE C C 26 171.500 171.500 174.844 -3.344 18905 6394 1 11 . 1 1 26 26 ILE CA C 26 56.930 56.930 60.212 -3.282 18905 6395 1 11 . 1 1 26 26 ILE CB C 26 38.159 38.159 38.486 -0.327 18905 6396 1 11 . 1 1 26 26 ILE H H 26 9.314 9.314 8.650 0.664 18905 6397 1 11 . 1 1 27 27 ILE N N 27 126.764 126.764 123.695 3.069 18905 6398 1 11 . 1 1 27 27 ILE HA H 27 4.955 4.955 4.904 0.051 18905 6399 1 11 . 1 1 27 27 ILE C C 27 171.462 171.462 173.851 -2.389 18905 6400 1 11 . 1 1 27 27 ILE CA C 27 56.909 56.909 59.434 -2.525 18905 6401 1 11 . 1 1 27 27 ILE CB C 27 38.397 38.397 42.625 -4.228 18905 6402 1 11 . 1 1 27 27 ILE H H 27 9.280 9.280 7.828 1.452 18905 6403 1 11 . 1 1 28 28 LEU N N 28 125.666 125.666 124.593 1.073 18905 6404 1 11 . 1 1 28 28 LEU HA H 28 4.858 4.858 4.782 0.076 18905 6405 1 11 . 1 1 28 28 LEU C C 28 172.714 172.714 176.114 -3.400 18905 6406 1 11 . 1 1 28 28 LEU CA C 28 50.153 50.153 52.843 -2.690 18905 6407 1 11 . 1 1 28 28 LEU CB C 28 39.943 39.943 43.726 -3.783 18905 6408 1 11 . 1 1 28 28 LEU H H 28 8.791 8.791 8.732 0.059 18905 6409 1 11 . 1 1 29 29 ARG N N 29 119.656 119.656 119.214 0.442 18905 6410 1 11 . 1 1 29 29 ARG HA H 29 5.023 5.023 4.945 0.078 18905 6411 1 11 . 1 1 29 29 ARG C C 29 172.927 172.927 175.897 -2.970 18905 6412 1 11 . 1 1 29 29 ARG CA C 29 51.933 51.933 55.074 -3.141 18905 6413 1 11 . 1 1 29 29 ARG CB C 29 31.298 31.298 34.026 -2.728 18905 6414 1 11 . 1 1 29 29 ARG H H 29 8.742 8.742 8.684 0.058 18905 6415 1 11 . 1 1 30 30 ASN N N 30 115.104 115.104 116.768 -1.664 18905 6416 1 11 . 1 1 30 30 ASN HA H 30 4.319 4.319 4.346 -0.027 18905 6417 1 11 . 1 1 30 30 ASN C C 30 172.025 172.025 174.162 -2.137 18905 6418 1 11 . 1 1 30 30 ASN CA C 30 51.550 51.550 53.944 -2.394 18905 6419 1 11 . 1 1 30 30 ASN CB C 30 35.656 35.656 37.740 -2.084 18905 6420 1 11 . 1 1 30 30 ASN H H 30 8.292 8.292 8.621 -0.329 18905 6421 1 11 . 1 1 31 31 LEU N N 31 113.394 113.394 119.413 -6.019 18905 6422 1 11 . 1 1 31 31 LEU HA H 31 3.915 3.915 4.422 -0.507 18905 6423 1 11 . 1 1 31 31 LEU C C 31 175.815 175.815 177.179 -1.364 18905 6424 1 11 . 1 1 31 31 LEU CA C 31 52.148 52.148 53.719 -1.571 18905 6425 1 11 . 1 1 31 31 LEU CB C 31 39.876 39.876 43.249 -3.373 18905 6426 1 11 . 1 1 31 31 LEU H H 31 7.602 7.602 7.600 0.002 18905 6427 1 11 . 1 1 32 32 ASN N N 32 123.357 123.357 120.625 2.732 18905 6428 1 11 . 1 1 32 32 ASN HA H 32 4.476 4.476 4.816 -0.340 18905 6429 1 11 . 1 1 32 32 ASN CA C 32 48.784 48.784 51.808 -3.024 18905 6430 1 11 . 1 1 32 32 ASN CB C 32 36.284 36.284 39.711 -3.427 18905 6431 1 11 . 1 1 32 32 ASN H H 32 9.816 9.816 8.650 1.166 18905 6432 1 11 . 1 1 33 33 PRO HA H 33 4.339 4.339 4.494 -0.155 18905 6433 1 11 . 1 1 33 33 PRO CA C 33 61.514 61.514 64.569 -3.055 18905 6434 1 11 . 1 1 33 33 PRO CB C 33 30.320 30.320 31.747 -1.427 18905 6435 1 11 . 1 1 34 34 HIS N N 34 111.187 111.187 114.144 -2.957 18905 6436 1 11 . 1 1 34 34 HIS HA H 34 4.402 4.402 4.848 -0.446 18905 6437 1 11 . 1 1 34 34 HIS CA C 34 53.125 53.125 54.716 -1.591 18905 6438 1 11 . 1 1 34 34 HIS CB C 34 25.760 25.760 30.389 -4.629 18905 6439 1 11 . 1 1 34 34 HIS H H 34 8.856 8.856 8.270 0.586 18905 6440 1 11 . 1 1 35 35 SER N N 35 118.219 118.219 117.794 0.425 18905 6441 1 11 . 1 1 35 35 SER HA H 35 4.718 4.718 4.409 0.309 18905 6442 1 11 . 1 1 35 35 SER CB C 35 60.222 60.222 63.873 -3.651 18905 6443 1 11 . 1 1 35 35 SER H H 35 8.262 8.262 7.753 0.509 18905 6444 1 11 . 1 1 36 36 THR N N 36 114.157 114.157 113.400 0.757 18905 6445 1 11 . 1 1 36 36 THR HA H 36 4.545 4.545 4.700 -0.155 18905 6446 1 11 . 1 1 36 36 THR CA C 36 56.508 56.508 60.890 -4.382 18905 6447 1 11 . 1 1 36 36 THR CB C 36 70.051 70.051 70.842 -0.791 18905 6448 1 11 . 1 1 36 36 THR H H 36 8.451 8.451 8.151 0.300 18905 6449 1 11 . 1 1 37 37 MET N N 37 119.815 119.815 120.415 -0.600 18905 6450 1 11 . 1 1 37 37 MET HA H 37 3.943 3.943 4.293 -0.350 18905 6451 1 11 . 1 1 37 37 MET CA C 37 56.204 56.204 58.643 -2.439 18905 6452 1 11 . 1 1 37 37 MET CB C 37 28.959 28.959 32.362 -3.404 18905 6453 1 11 . 1 1 37 37 MET H H 37 8.928 8.928 8.778 0.150 18905 6454 1 11 . 1 1 38 38 ASP N N 38 115.357 115.357 119.100 -3.743 18905 6455 1 11 . 1 1 38 38 ASP HA H 38 4.301 4.301 4.505 -0.204 18905 6456 1 11 . 1 1 38 38 ASP CA C 38 54.750 54.750 56.558 -1.808 18905 6457 1 11 . 1 1 38 38 ASP CB C 38 37.934 37.934 40.029 -2.095 18905 6458 1 11 . 1 1 38 38 ASP H H 38 8.096 8.096 8.691 -0.595 18905 6459 1 11 . 1 1 39 39 SER N N 39 118.933 118.933 116.534 2.399 18905 6460 1 11 . 1 1 39 39 SER HA H 39 4.253 4.253 4.162 0.091 18905 6461 1 11 . 1 1 39 39 SER C C 39 174.818 174.818 175.835 -1.017 18905 6462 1 11 . 1 1 39 39 SER CA C 39 58.767 58.767 61.753 -2.986 18905 6463 1 11 . 1 1 39 39 SER CB C 39 61.631 61.631 62.876 -1.245 18905 6464 1 11 . 1 1 39 39 SER H H 39 8.088 8.088 7.682 0.406 18905 6465 1 11 . 1 1 40 40 ILE N N 40 124.376 124.376 120.923 3.453 18905 6466 1 11 . 1 1 40 40 ILE HA H 40 3.538 3.538 3.852 -0.314 18905 6467 1 11 . 1 1 40 40 ILE C C 40 174.358 174.358 177.632 -3.274 18905 6468 1 11 . 1 1 40 40 ILE CA C 40 62.936 62.936 64.112 -1.176 18905 6469 1 11 . 1 1 40 40 ILE CB C 40 35.725 35.725 38.128 -2.403 18905 6470 1 11 . 1 1 40 40 ILE H H 40 8.009 8.009 7.416 0.593 18905 6471 1 11 . 1 1 41 41 LEU N N 41 117.914 117.914 119.834 -1.920 18905 6472 1 11 . 1 1 41 41 LEU HA H 41 3.818 3.818 3.927 -0.109 18905 6473 1 11 . 1 1 41 41 LEU C C 41 178.292 178.292 179.153 -0.861 18905 6474 1 11 . 1 1 41 41 LEU CA C 41 55.496 55.496 57.947 -2.451 18905 6475 1 11 . 1 1 41 41 LEU CB C 41 38.574 38.574 41.500 -2.926 18905 6476 1 11 . 1 1 41 41 LEU H H 41 8.574 8.574 7.414 1.160 18905 6477 1 11 . 1 1 42 42 GLY N N 42 105.053 105.053 102.883 2.170 18905 6478 1 11 . 1 1 42 42 GLY C C 42 173.318 173.318 173.995 -0.677 18905 6479 1 11 . 1 1 42 42 GLY CA C 42 44.283 44.283 45.783 -1.500 18905 6480 1 11 . 1 1 42 42 GLY H H 42 8.207 8.207 8.245 -0.038 18905 6481 1 11 . 1 1 43 43 ALA N N 43 122.411 122.411 122.066 0.345 18905 6482 1 11 . 1 1 43 43 ALA HA H 43 4.245 4.245 4.490 -0.245 18905 6483 1 11 . 1 1 43 43 ALA C C 43 176.200 176.200 177.431 -1.231 18905 6484 1 11 . 1 1 43 43 ALA CA C 43 51.148 51.148 53.245 -2.097 18905 6485 1 11 . 1 1 43 43 ALA CB C 43 17.381 17.381 20.150 -2.769 18905 6486 1 11 . 1 1 43 43 ALA H H 43 7.571 7.571 7.598 -0.027 18905 6487 1 11 . 1 1 44 44 LEU N N 44 113.121 113.121 118.254 -5.133 18905 6488 1 11 . 1 1 44 44 LEU HA H 44 4.514 4.514 4.758 -0.244 18905 6489 1 11 . 1 1 44 44 LEU C C 44 174.187 174.187 178.912 -4.725 18905 6490 1 11 . 1 1 44 44 LEU CA C 44 52.247 52.247 53.984 -1.738 18905 6491 1 11 . 1 1 44 44 LEU CB C 44 40.210 40.210 41.102 -0.892 18905 6492 1 11 . 1 1 44 44 LEU H H 44 7.533 7.533 7.988 -0.455 18905 6493 1 11 . 1 1 45 45 ALA N N 45 123.574 123.574 125.078 -1.504 18905 6494 1 11 . 1 1 45 45 ALA HA H 45 4.313 4.313 4.058 0.255 18905 6495 1 11 . 1 1 45 45 ALA CA C 45 53.187 53.187 56.742 -3.555 18905 6496 1 11 . 1 1 45 45 ALA CB C 45 14.134 14.134 16.100 -1.966 18905 6497 1 11 . 1 1 45 45 ALA H H 45 7.398 7.398 8.264 -0.866 18905 6498 1 11 . 1 1 46 46 PRO HA H 46 4.043 4.043 4.236 -0.193 18905 6499 1 11 . 1 1 46 46 PRO CA C 46 61.784 61.784 64.188 -2.404 18905 6500 1 11 . 1 1 46 46 PRO CB C 46 27.999 27.999 31.152 -3.153 18905 6501 1 11 . 1 1 47 47 TYR N N 47 114.404 114.404 117.583 -3.179 18905 6502 1 11 . 1 1 47 47 TYR HA H 47 4.527 4.527 4.780 -0.253 18905 6503 1 11 . 1 1 47 47 TYR CA C 47 54.406 54.406 56.028 -1.622 18905 6504 1 11 . 1 1 47 47 TYR CB C 47 37.537 37.537 38.643 -1.106 18905 6505 1 11 . 1 1 47 47 TYR H H 47 7.897 7.897 7.671 0.226 18905 6506 1 11 . 1 1 48 48 ALA N N 48 119.845 119.845 120.858 -1.013 18905 6507 1 11 . 1 1 48 48 ALA HA H 48 4.360 4.360 4.615 -0.255 18905 6508 1 11 . 1 1 48 48 ALA C C 48 171.938 171.938 175.616 -3.678 18905 6509 1 11 . 1 1 48 48 ALA CA C 48 49.129 49.129 51.394 -2.265 18905 6510 1 11 . 1 1 48 48 ALA CB C 48 19.614 19.614 21.570 -1.956 18905 6511 1 11 . 1 1 48 48 ALA H H 48 8.083 8.083 7.415 0.668 18905 6512 1 11 . 1 1 49 49 VAL N N 49 122.528 122.528 120.532 1.996 18905 6513 1 11 . 1 1 49 49 VAL HA H 49 3.904 3.904 4.467 -0.563 18905 6514 1 11 . 1 1 49 49 VAL C C 49 172.490 172.490 174.490 -2.000 18905 6515 1 11 . 1 1 49 49 VAL CA C 49 60.373 60.373 62.372 -1.999 18905 6516 1 11 . 1 1 49 49 VAL CB C 49 28.257 28.257 32.150 -3.893 18905 6517 1 11 . 1 1 49 49 VAL H H 49 8.414 8.414 8.406 0.008 18905 6518 1 11 . 1 1 50 50 LEU N N 50 127.924 127.924 122.989 4.935 18905 6519 1 11 . 1 1 50 50 LEU HA H 50 4.650 4.650 4.941 -0.291 18905 6520 1 11 . 1 1 50 50 LEU C C 50 172.488 172.488 175.282 -2.794 18905 6521 1 11 . 1 1 50 50 LEU CA C 50 50.523 50.523 53.613 -3.090 18905 6522 1 11 . 1 1 50 50 LEU CB C 50 42.647 42.647 44.654 -2.006 18905 6523 1 11 . 1 1 50 50 LEU H H 50 7.904 7.904 7.565 0.339 18905 6524 1 11 . 1 1 51 51 SER N N 51 114.999 114.999 113.706 1.293 18905 6525 1 11 . 1 1 51 51 SER HA H 51 4.783 4.783 4.834 -0.051 18905 6526 1 11 . 1 1 51 51 SER C C 51 172.827 172.827 174.785 -1.958 18905 6527 1 11 . 1 1 51 51 SER CA C 51 53.708 53.708 57.851 -4.143 18905 6528 1 11 . 1 1 51 51 SER CB C 51 63.424 63.424 66.071 -2.647 18905 6529 1 11 . 1 1 51 51 SER H H 51 8.623 8.623 8.603 0.020 18905 6530 1 11 . 1 1 52 52 SER N N 52 118.355 118.355 113.676 4.679 18905 6531 1 11 . 1 1 52 52 SER HA H 52 4.301 4.301 4.265 0.036 18905 6532 1 11 . 1 1 52 52 SER C C 52 173.242 173.242 175.559 -2.317 18905 6533 1 11 . 1 1 52 52 SER CA C 52 58.709 58.709 60.539 -1.830 18905 6534 1 11 . 1 1 52 52 SER CB C 52 59.826 59.826 62.589 -2.763 18905 6535 1 11 . 1 1 52 52 SER H H 52 9.117 9.117 8.693 0.424 18905 6536 1 11 . 1 1 53 53 SER N N 53 114.926 114.926 116.761 -1.835 18905 6537 1 11 . 1 1 53 53 SER HA H 53 4.292 4.292 4.421 -0.129 18905 6538 1 11 . 1 1 53 53 SER CA C 53 57.882 57.882 60.312 -2.430 18905 6539 1 11 . 1 1 53 53 SER CB C 53 60.220 60.220 63.827 -3.607 18905 6540 1 11 . 1 1 53 53 SER H H 53 8.014 8.014 7.509 0.505 18905 6541 1 11 . 1 1 54 54 ASN N N 54 116.432 116.432 117.718 -1.286 18905 6542 1 11 . 1 1 54 54 ASN HA H 54 4.914 4.914 4.646 0.268 18905 6543 1 11 . 1 1 54 54 ASN C C 54 170.744 170.744 175.624 -4.880 18905 6544 1 11 . 1 1 54 54 ASN CA C 54 52.054 52.054 54.788 -2.734 18905 6545 1 11 . 1 1 54 54 ASN CB C 54 38.952 38.952 39.133 -0.181 18905 6546 1 11 . 1 1 54 54 ASN H H 54 7.996 7.996 7.834 0.162 18905 6547 1 11 . 1 1 55 55 VAL N N 55 118.877 118.877 120.854 -1.977 18905 6548 1 11 . 1 1 55 55 VAL HA H 55 4.891 4.891 4.293 0.598 18905 6549 1 11 . 1 1 55 55 VAL C C 55 171.238 171.238 174.843 -3.605 18905 6550 1 11 . 1 1 55 55 VAL CA C 55 58.709 58.709 62.329 -3.620 18905 6551 1 11 . 1 1 55 55 VAL CB C 55 31.652 31.652 32.016 -0.364 18905 6552 1 11 . 1 1 55 55 VAL H H 55 7.421 7.421 7.343 0.078 18905 6553 1 11 . 1 1 56 56 ARG N N 56 125.757 125.757 127.185 -1.428 18905 6554 1 11 . 1 1 56 56 ARG HA H 56 4.708 4.708 4.675 0.033 18905 6555 1 11 . 1 1 56 56 ARG C C 56 172.321 172.321 173.940 -1.619 18905 6556 1 11 . 1 1 56 56 ARG CA C 56 51.878 51.878 54.607 -2.729 18905 6557 1 11 . 1 1 56 56 ARG CB C 56 30.211 30.211 34.253 -4.042 18905 6558 1 11 . 1 1 56 56 ARG H H 56 9.011 9.011 8.859 0.152 18905 6559 1 11 . 1 1 57 57 VAL N N 57 125.646 125.646 124.010 1.636 18905 6560 1 11 . 1 1 57 57 VAL HA H 57 3.878 3.878 4.110 -0.232 18905 6561 1 11 . 1 1 57 57 VAL C C 57 172.129 172.129 174.481 -2.352 18905 6562 1 11 . 1 1 57 57 VAL CA C 57 59.043 59.043 60.771 -1.728 18905 6563 1 11 . 1 1 57 57 VAL CB C 57 30.019 30.019 33.252 -3.233 18905 6564 1 11 . 1 1 57 57 VAL H H 57 8.794 8.794 8.359 0.435 18905 6565 1 11 . 1 1 58 58 ILE N N 58 127.547 127.547 129.447 -1.900 18905 6566 1 11 . 1 1 58 58 ILE HA H 58 4.049 4.049 4.155 -0.106 18905 6567 1 11 . 1 1 58 58 ILE C C 58 172.672 172.672 175.719 -3.047 18905 6568 1 11 . 1 1 58 58 ILE CA C 58 57.246 57.246 60.591 -3.345 18905 6569 1 11 . 1 1 58 58 ILE CB C 58 32.839 32.839 37.449 -4.610 18905 6570 1 11 . 1 1 58 58 ILE H H 58 7.259 7.259 8.041 -0.782 18905 6571 1 11 . 1 1 59 59 LYS N N 59 127.231 127.231 125.096 2.135 18905 6572 1 11 . 1 1 59 59 LYS HA H 59 4.532 4.532 4.628 -0.096 18905 6573 1 11 . 1 1 59 59 LYS C C 59 173.119 173.119 175.706 -2.587 18905 6574 1 11 . 1 1 59 59 LYS CA C 59 52.444 52.444 55.254 -2.810 18905 6575 1 11 . 1 1 59 59 LYS CB C 59 32.374 32.374 34.011 -1.637 18905 6576 1 11 . 1 1 59 59 LYS H H 59 8.571 8.571 8.137 0.434 18905 6577 1 11 . 1 1 60 60 ASP N N 60 123.232 123.232 120.498 2.734 18905 6578 1 11 . 1 1 60 60 ASP HA H 60 4.496 4.496 4.695 -0.199 18905 6579 1 11 . 1 1 60 60 ASP C C 60 174.118 174.118 175.671 -1.553 18905 6580 1 11 . 1 1 60 60 ASP CA C 60 50.786 50.786 53.709 -2.923 18905 6581 1 11 . 1 1 60 60 ASP CB C 60 40.058 40.058 42.251 -2.192 18905 6582 1 11 . 1 1 60 60 ASP H H 60 8.527 8.527 8.721 -0.194 18905 6583 1 11 . 1 1 61 61 LYS N N 61 125.977 125.977 121.287 4.690 18905 6584 1 11 . 1 1 61 61 LYS HA H 61 3.918 3.918 4.376 -0.458 18905 6585 1 11 . 1 1 61 61 LYS C C 61 174.696 174.696 177.220 -2.524 18905 6586 1 11 . 1 1 61 61 LYS CA C 61 56.017 56.017 57.241 -1.224 18905 6587 1 11 . 1 1 61 61 LYS CB C 61 29.813 29.813 32.989 -3.176 18905 6588 1 11 . 1 1 61 61 LYS H H 61 8.770 8.770 8.501 0.269 18905 6589 1 11 . 1 1 62 62 GLN N N 62 116.732 116.732 118.449 -1.717 18905 6590 1 11 . 1 1 62 62 GLN HA H 62 4.252 4.252 4.166 0.086 18905 6591 1 11 . 1 1 62 62 GLN C C 62 174.793 174.793 176.772 -1.979 18905 6592 1 11 . 1 1 62 62 GLN CA C 62 55.001 55.001 57.724 -2.723 18905 6593 1 11 . 1 1 62 62 GLN CB C 62 26.516 26.516 29.292 -2.776 18905 6594 1 11 . 1 1 62 62 GLN H H 62 8.538 8.538 8.407 0.131 18905 6595 1 11 . 1 1 63 63 THR N N 63 108.519 108.519 109.518 -0.999 18905 6596 1 11 . 1 1 63 63 THR HA H 63 4.265 4.265 4.568 -0.303 18905 6597 1 11 . 1 1 63 63 THR CA C 63 59.302 59.302 60.042 -0.740 18905 6598 1 11 . 1 1 63 63 THR CB C 63 67.891 67.891 70.992 -3.101 18905 6599 1 11 . 1 1 63 63 THR H H 63 7.882 7.882 8.167 -0.285 18905 6600 1 11 . 1 1 64 64 GLN N N 64 113.890 113.890 117.981 -4.091 18905 6601 1 11 . 1 1 64 64 GLN HA H 64 3.829 3.829 4.620 -0.791 18905 6602 1 11 . 1 1 64 64 GLN C C 64 172.129 172.129 175.012 -2.883 18905 6603 1 11 . 1 1 64 64 GLN CA C 64 54.560 54.560 54.460 0.100 18905 6604 1 11 . 1 1 64 64 GLN CB C 64 23.812 23.812 28.484 -4.672 18905 6605 1 11 . 1 1 64 64 GLN H H 64 8.188 8.188 8.462 -0.274 18905 6606 1 11 . 1 1 65 65 LEU N N 65 119.516 119.516 120.204 -0.688 18905 6607 1 11 . 1 1 65 65 LEU HA H 65 4.463 4.463 4.582 -0.119 18905 6608 1 11 . 1 1 65 65 LEU C C 65 174.174 174.174 175.863 -1.689 18905 6609 1 11 . 1 1 65 65 LEU CA C 65 51.024 51.024 53.250 -2.226 18905 6610 1 11 . 1 1 65 65 LEU CB C 65 39.608 39.608 44.656 -5.048 18905 6611 1 11 . 1 1 65 65 LEU H H 65 7.682 7.682 7.380 0.302 18905 6612 1 11 . 1 1 66 66 ASN N N 66 117.776 117.776 118.091 -0.315 18905 6613 1 11 . 1 1 66 66 ASN HA H 66 4.958 4.958 4.764 0.194 18905 6614 1 11 . 1 1 66 66 ASN C C 66 171.913 171.913 176.986 -5.073 18905 6615 1 11 . 1 1 66 66 ASN CA C 66 50.440 50.440 53.640 -3.200 18905 6616 1 11 . 1 1 66 66 ASN CB C 66 36.771 36.771 38.748 -1.977 18905 6617 1 11 . 1 1 66 66 ASN H H 66 8.771 8.771 8.438 0.333 18905 6618 1 11 . 1 1 67 67 ARG N N 67 117.508 117.508 121.844 -4.336 18905 6619 1 11 . 1 1 67 67 ARG HA H 67 4.193 4.193 4.311 -0.118 18905 6620 1 11 . 1 1 67 67 ARG CA C 67 53.615 53.615 57.603 -3.989 18905 6621 1 11 . 1 1 67 67 ARG CB C 67 28.137 28.137 30.983 -2.846 18905 6622 1 11 . 1 1 67 67 ARG H H 67 8.313 8.313 8.068 0.245 18905 6623 1 11 . 1 1 68 68 GLY N N 68 107.904 107.904 106.496 1.408 18905 6624 1 11 . 1 1 68 68 GLY CA C 68 42.842 42.842 44.661 -1.819 18905 6625 1 11 . 1 1 68 68 GLY H H 68 9.437 9.437 8.468 0.969 18905 6626 1 11 . 1 1 69 69 PHE N N 69 113.804 113.804 115.931 -2.127 18905 6627 1 11 . 1 1 69 69 PHE HA H 69 5.754 5.754 5.233 0.521 18905 6628 1 11 . 1 1 69 69 PHE C C 69 170.151 170.151 172.436 -2.285 18905 6629 1 11 . 1 1 69 69 PHE CA C 69 51.625 51.625 55.074 -3.449 18905 6630 1 11 . 1 1 69 69 PHE CB C 69 39.587 39.587 41.375 -1.788 18905 6631 1 11 . 1 1 69 69 PHE H H 69 6.750 6.750 7.477 -0.727 18905 6632 1 11 . 1 1 70 70 ALA N N 70 118.965 118.965 119.533 -0.568 18905 6633 1 11 . 1 1 70 70 ALA HA H 70 4.807 4.807 4.166 0.641 18905 6634 1 11 . 1 1 70 70 ALA C C 70 171.693 171.693 174.594 -2.901 18905 6635 1 11 . 1 1 70 70 ALA CA C 70 47.155 47.155 51.340 -4.186 18905 6636 1 11 . 1 1 70 70 ALA CB C 70 21.153 21.153 21.864 -0.711 18905 6637 1 11 . 1 1 70 70 ALA H H 70 8.526 8.526 7.878 0.648 18905 6638 1 11 . 1 1 71 71 PHE N N 71 117.469 117.469 117.176 0.293 18905 6639 1 11 . 1 1 71 71 PHE HA H 71 5.537 5.537 5.471 0.066 18905 6640 1 11 . 1 1 71 71 PHE C C 71 172.630 172.630 174.346 -1.716 18905 6641 1 11 . 1 1 71 71 PHE CA C 71 52.609 52.609 56.617 -4.008 18905 6642 1 11 . 1 1 71 71 PHE CB C 71 39.675 39.675 43.965 -4.290 18905 6643 1 11 . 1 1 71 71 PHE H H 71 8.824 8.824 8.972 -0.148 18905 6644 1 11 . 1 1 72 72 ILE N N 72 122.867 122.867 117.867 5.000 18905 6645 1 11 . 1 1 72 72 ILE HA H 72 5.022 5.022 4.822 0.200 18905 6646 1 11 . 1 1 72 72 ILE CA C 72 56.881 56.881 59.531 -2.650 18905 6647 1 11 . 1 1 72 72 ILE CB C 72 37.031 37.031 41.810 -4.779 18905 6648 1 11 . 1 1 72 72 ILE H H 72 9.555 9.555 8.450 1.105 18905 6649 1 11 . 1 1 73 73 GLN N N 73 128.422 128.422 119.343 9.079 18905 6650 1 11 . 1 1 73 73 GLN HA H 73 5.170 5.170 4.659 0.511 18905 6651 1 11 . 1 1 73 73 GLN CA C 73 52.252 52.252 55.107 -2.855 18905 6652 1 11 . 1 1 73 73 GLN CB C 73 28.291 28.291 32.078 -3.787 18905 6653 1 11 . 1 1 73 73 GLN H H 73 8.964 8.964 8.460 0.504 18905 6654 1 11 . 1 1 74 74 LEU N N 74 126.707 126.707 121.160 5.547 18905 6655 1 11 . 1 1 74 74 LEU HA H 74 4.789 4.789 4.504 0.285 18905 6656 1 11 . 1 1 74 74 LEU CA C 74 50.617 50.617 54.733 -4.116 18905 6657 1 11 . 1 1 74 74 LEU CB C 74 44.885 44.885 46.340 -1.455 18905 6658 1 11 . 1 1 74 74 LEU H H 74 8.420 8.420 8.485 -0.065 18905 6659 1 11 . 1 1 75 75 SER HA H 75 4.284 4.284 4.802 -0.518 18905 6660 1 11 . 1 1 75 75 SER CA C 75 55.390 55.390 57.898 -2.507 18905 6661 1 11 . 1 1 75 75 SER CB C 75 61.275 61.275 63.837 -2.562 18905 6662 1 11 . 1 1 76 76 THR N N 76 116.193 116.193 114.964 1.229 18905 6663 1 11 . 1 1 76 76 THR HA H 76 3.994 3.994 4.083 -0.089 18905 6664 1 11 . 1 1 76 76 THR C C 76 174.630 174.630 176.899 -2.269 18905 6665 1 11 . 1 1 76 76 THR CA C 76 64.225 64.225 65.799 -1.575 18905 6666 1 11 . 1 1 76 76 THR CB C 76 66.003 66.003 68.576 -2.573 18905 6667 1 11 . 1 1 76 76 THR H H 76 8.614 8.614 8.652 -0.038 18905 6668 1 11 . 1 1 77 77 ILE N N 77 120.400 120.400 121.053 -0.653 18905 6669 1 11 . 1 1 77 77 ILE HA H 77 3.911 3.911 3.839 0.072 18905 6670 1 11 . 1 1 77 77 ILE C C 77 175.577 175.577 177.449 -1.872 18905 6671 1 11 . 1 1 77 77 ILE CA C 77 61.264 61.264 64.899 -3.635 18905 6672 1 11 . 1 1 77 77 ILE CB C 77 35.379 35.379 37.699 -2.320 18905 6673 1 11 . 1 1 77 77 ILE H H 77 8.044 8.044 8.142 -0.098 18905 6674 1 11 . 1 1 78 78 GLU N N 78 120.562 120.562 118.379 2.183 18905 6675 1 11 . 1 1 78 78 GLU HA H 78 4.062 4.062 4.016 0.046 18905 6676 1 11 . 1 1 78 78 GLU C C 78 176.596 176.596 178.719 -2.123 18905 6677 1 11 . 1 1 78 78 GLU CA C 78 56.355 56.355 59.331 -2.976 18905 6678 1 11 . 1 1 78 78 GLU CB C 78 27.668 27.668 28.756 -1.088 18905 6679 1 11 . 1 1 78 78 GLU H H 78 7.548 7.548 8.184 -0.636 18905 6680 1 11 . 1 1 79 79 ALA N N 79 122.789 122.789 121.877 0.912 18905 6681 1 11 . 1 1 79 79 ALA HA H 79 3.923 3.923 4.112 -0.189 18905 6682 1 11 . 1 1 79 79 ALA C C 79 175.736 175.736 179.034 -3.298 18905 6683 1 11 . 1 1 79 79 ALA CA C 79 52.649 52.649 55.039 -2.390 18905 6684 1 11 . 1 1 79 79 ALA CB C 79 15.305 15.305 18.426 -3.121 18905 6685 1 11 . 1 1 79 79 ALA H H 79 9.279 9.279 8.488 0.791 18905 6686 1 11 . 1 1 80 80 ALA N N 80 118.643 118.643 119.285 -0.642 18905 6687 1 11 . 1 1 80 80 ALA HA H 80 4.001 4.001 4.397 -0.396 18905 6688 1 11 . 1 1 80 80 ALA C C 80 177.943 177.943 178.623 -0.680 18905 6689 1 11 . 1 1 80 80 ALA CA C 80 52.521 52.521 54.282 -1.761 18905 6690 1 11 . 1 1 80 80 ALA CB C 80 15.281 15.281 18.630 -3.349 18905 6691 1 11 . 1 1 80 80 ALA H H 80 7.688 7.688 7.801 -0.113 18905 6692 1 11 . 1 1 81 81 GLN N N 81 116.877 116.877 116.939 -0.062 18905 6693 1 11 . 1 1 81 81 GLN HA H 81 4.015 4.015 4.426 -0.411 18905 6694 1 11 . 1 1 81 81 GLN CA C 81 55.760 55.760 56.232 -0.472 18905 6695 1 11 . 1 1 81 81 GLN CB C 81 25.786 25.786 28.917 -3.131 18905 6696 1 11 . 1 1 81 81 GLN H H 81 7.593 7.593 7.732 -0.139 18905 6697 1 11 . 1 1 82 82 LEU N N 82 119.946 119.946 123.214 -3.268 18905 6698 1 11 . 1 1 82 82 LEU HA H 82 4.121 4.121 3.975 0.146 18905 6699 1 11 . 1 1 82 82 LEU C C 82 175.358 175.358 178.385 -3.027 18905 6700 1 11 . 1 1 82 82 LEU CA C 82 54.781 54.781 58.057 -3.276 18905 6701 1 11 . 1 1 82 82 LEU CB C 82 38.240 38.240 41.884 -3.644 18905 6702 1 11 . 1 1 82 82 LEU H H 82 8.258 8.258 8.342 -0.084 18905 6703 1 11 . 1 1 83 83 LEU N N 83 119.288 119.288 118.612 0.676 18905 6704 1 11 . 1 1 83 83 LEU HA H 83 3.585 3.585 3.852 -0.267 18905 6705 1 11 . 1 1 83 83 LEU C C 83 175.365 175.365 178.323 -2.958 18905 6706 1 11 . 1 1 83 83 LEU CA C 83 56.142 56.142 57.793 -1.651 18905 6707 1 11 . 1 1 83 83 LEU CB C 83 38.875 38.875 41.530 -2.655 18905 6708 1 11 . 1 1 83 83 LEU H H 83 8.407 8.407 7.597 0.810 18905 6709 1 11 . 1 1 84 84 GLN N N 84 115.391 115.391 118.069 -2.678 18905 6710 1 11 . 1 1 84 84 GLN HA H 84 3.878 3.878 3.987 -0.109 18905 6711 1 11 . 1 1 84 84 GLN C C 84 176.472 176.472 179.006 -2.534 18905 6712 1 11 . 1 1 84 84 GLN CA C 84 56.142 56.142 58.750 -2.608 18905 6713 1 11 . 1 1 84 84 GLN CB C 84 25.733 25.733 28.572 -2.839 18905 6714 1 11 . 1 1 84 84 GLN H H 84 7.347 7.347 7.548 -0.201 18905 6715 1 11 . 1 1 85 85 ILE N N 85 119.593 119.593 121.163 -1.570 18905 6716 1 11 . 1 1 85 85 ILE HA H 85 3.607 3.607 3.634 -0.027 18905 6717 1 11 . 1 1 85 85 ILE CA C 85 61.779 61.779 64.344 -2.565 18905 6718 1 11 . 1 1 85 85 ILE CB C 85 35.948 35.948 37.590 -1.642 18905 6719 1 11 . 1 1 85 85 ILE H H 85 7.650 7.650 7.258 0.393 18905 6720 1 11 . 1 1 86 86 LEU N N 86 116.537 116.537 119.024 -2.487 18905 6721 1 11 . 1 1 86 86 LEU HA H 86 3.757 3.757 4.007 -0.250 18905 6722 1 11 . 1 1 86 86 LEU C C 86 177.610 177.610 178.751 -1.141 18905 6723 1 11 . 1 1 86 86 LEU CA C 86 54.521 54.521 57.965 -3.444 18905 6724 1 11 . 1 1 86 86 LEU CB C 86 39.226 39.226 41.383 -2.157 18905 6725 1 11 . 1 1 86 86 LEU H H 86 8.410 8.410 8.311 0.099 18905 6726 1 11 . 1 1 87 87 GLN N N 87 115.959 115.959 117.401 -1.442 18905 6727 1 11 . 1 1 87 87 GLN HA H 87 4.009 4.009 4.132 -0.123 18905 6728 1 11 . 1 1 87 87 GLN C C 87 174.156 174.156 176.396 -2.240 18905 6729 1 11 . 1 1 87 87 GLN CA C 87 55.735 55.735 57.274 -1.539 18905 6730 1 11 . 1 1 87 87 GLN CB C 87 25.516 25.516 28.157 -2.640 18905 6731 1 11 . 1 1 87 87 GLN H H 87 8.406 8.406 7.535 0.871 18905 6732 1 11 . 1 1 88 88 ALA N N 88 120.044 120.044 120.725 -0.681 18905 6733 1 11 . 1 1 88 88 ALA HA H 88 4.338 4.338 4.492 -0.154 18905 6734 1 11 . 1 1 88 88 ALA C C 88 174.373 174.373 176.180 -1.807 18905 6735 1 11 . 1 1 88 88 ALA CA C 88 48.933 48.933 52.254 -3.321 18905 6736 1 11 . 1 1 88 88 ALA CB C 88 16.681 16.681 20.117 -3.436 18905 6737 1 11 . 1 1 88 88 ALA H H 88 7.110 7.110 7.691 -0.581 18905 6738 1 11 . 1 1 89 89 LEU N N 89 119.696 119.696 117.823 1.873 18905 6739 1 11 . 1 1 89 89 LEU HA H 89 3.929 3.929 4.784 -0.855 18905 6740 1 11 . 1 1 89 89 LEU C C 89 175.387 175.387 174.444 0.943 18905 6741 1 11 . 1 1 89 89 LEU CA C 89 53.364 53.364 54.090 -0.726 18905 6742 1 11 . 1 1 89 89 LEU CB C 89 39.775 39.775 44.542 -4.767 18905 6743 1 11 . 1 1 89 89 LEU H H 89 6.693 6.693 7.432 -0.739 18905 6744 1 11 . 1 1 90 90 HIS N N 90 120.136 120.136 115.538 4.598 18905 6745 1 11 . 1 1 90 90 HIS HA H 90 4.419 4.419 4.998 -0.579 18905 6746 1 11 . 1 1 90 90 HIS CA C 90 50.226 50.226 53.292 -3.066 18905 6747 1 11 . 1 1 90 90 HIS CB C 90 27.853 27.853 30.072 -2.219 18905 6748 1 11 . 1 1 90 90 HIS H H 90 8.299 8.299 8.060 0.239 18905 6749 1 11 . 1 1 91 91 PRO HA H 91 4.367 4.367 4.825 -0.458 18905 6750 1 11 . 1 1 91 91 PRO CA C 91 60.550 60.550 61.701 -1.151 18905 6751 1 11 . 1 1 91 91 PRO CB C 91 29.416 29.416 31.679 -2.263 18905 6752 1 11 . 1 1 92 92 PRO HA H 92 4.815 4.815 4.365 0.450 18905 6753 1 11 . 1 1 92 92 PRO CA C 92 59.812 59.812 64.413 -4.601 18905 6754 1 11 . 1 1 92 92 PRO CB C 92 30.119 30.119 32.258 -2.139 18905 6755 1 11 . 1 1 93 93 LEU N N 93 121.469 121.469 121.895 -0.426 18905 6756 1 11 . 1 1 93 93 LEU HA H 93 3.954 3.954 4.295 -0.341 18905 6757 1 11 . 1 1 93 93 LEU CA C 93 53.500 53.500 55.275 -1.775 18905 6758 1 11 . 1 1 93 93 LEU CB C 93 39.889 39.889 40.750 -0.861 18905 6759 1 11 . 1 1 93 93 LEU H H 93 8.404 8.404 8.103 0.301 18905 6760 1 11 . 1 1 94 94 THR HA H 94 5.276 5.276 4.625 0.651 18905 6761 1 11 . 1 1 94 94 THR CA C 94 57.077 57.077 61.636 -4.559 18905 6762 1 11 . 1 1 94 94 THR CB C 94 69.076 69.076 70.625 -1.549 18905 6763 1 11 . 1 1 95 95 ILE N N 95 121.239 121.239 121.312 -0.073 18905 6764 1 11 . 1 1 95 95 ILE HA H 95 4.184 4.184 4.405 -0.221 18905 6765 1 11 . 1 1 95 95 ILE CA C 95 58.054 58.054 60.534 -2.480 18905 6766 1 11 . 1 1 95 95 ILE CB C 95 37.534 37.534 41.396 -3.862 18905 6767 1 11 . 1 1 95 95 ILE H H 95 8.317 8.317 8.243 0.074 18905 6768 1 11 . 1 1 96 96 ASP N N 96 130.909 130.909 127.138 3.771 18905 6769 1 11 . 1 1 96 96 ASP HA H 96 4.292 4.292 4.313 -0.021 18905 6770 1 11 . 1 1 96 96 ASP CA C 96 53.001 53.001 56.438 -3.437 18905 6771 1 11 . 1 1 96 96 ASP CB C 96 37.114 37.114 40.720 -3.606 18905 6772 1 11 . 1 1 96 96 ASP H H 96 9.837 9.837 9.145 0.692 18905 6773 1 11 . 1 1 97 97 GLY N N 97 102.578 102.578 108.316 -5.738 18905 6774 1 11 . 1 1 97 97 GLY C C 97 170.992 170.992 173.636 -2.644 18905 6775 1 11 . 1 1 97 97 GLY CA C 97 42.754 42.754 44.851 -2.097 18905 6776 1 11 . 1 1 97 97 GLY H H 97 8.638 8.638 8.195 0.443 18905 6777 1 11 . 1 1 98 98 LYS N N 98 120.330 120.330 120.036 0.294 18905 6778 1 11 . 1 1 98 98 LYS HA H 98 4.629 4.629 4.977 -0.348 18905 6779 1 11 . 1 1 98 98 LYS C C 98 172.675 172.675 174.862 -2.187 18905 6780 1 11 . 1 1 98 98 LYS CA C 98 50.304 50.304 53.760 -3.456 18905 6781 1 11 . 1 1 98 98 LYS CB C 98 31.136 31.136 34.737 -3.601 18905 6782 1 11 . 1 1 98 98 LYS H H 98 7.440 7.440 7.830 -0.390 18905 6783 1 11 . 1 1 99 99 THR N N 99 119.612 119.612 110.889 8.723 18905 6784 1 11 . 1 1 99 99 THR HA H 99 4.356 4.356 4.653 -0.297 18905 6785 1 11 . 1 1 99 99 THR C C 99 171.511 171.511 173.118 -1.607 18905 6786 1 11 . 1 1 99 99 THR CA C 99 60.382 60.382 59.623 0.759 18905 6787 1 11 . 1 1 99 99 THR CB C 99 65.967 65.967 71.576 -5.609 18905 6788 1 11 . 1 1 99 99 THR H H 99 8.626 8.626 8.249 0.377 18905 6789 1 11 . 1 1 100 100 ILE N N 100 129.389 129.389 120.301 9.088 18905 6790 1 11 . 1 1 100 100 ILE HA H 100 4.358 4.358 4.439 -0.081 18905 6791 1 11 . 1 1 100 100 ILE C C 100 172.710 172.710 175.459 -2.749 18905 6792 1 11 . 1 1 100 100 ILE CA C 100 55.202 55.202 59.306 -4.104 18905 6793 1 11 . 1 1 100 100 ILE CB C 100 34.925 34.925 37.030 -2.105 18905 6794 1 11 . 1 1 100 100 ILE H H 100 8.463 8.463 8.444 0.019 18905 6795 1 11 . 1 1 101 101 ASN N N 101 123.767 123.767 125.770 -2.003 18905 6796 1 11 . 1 1 101 101 ASN HA H 101 4.904 4.904 4.640 0.264 18905 6797 1 11 . 1 1 101 101 ASN C C 101 170.860 170.860 174.130 -3.270 18905 6798 1 11 . 1 1 101 101 ASN CA C 101 49.884 49.884 53.980 -4.096 18905 6799 1 11 . 1 1 101 101 ASN CB C 101 38.364 38.364 39.762 -1.398 18905 6800 1 11 . 1 1 101 101 ASN H H 101 7.878 7.878 7.997 -0.119 18905 6801 1 11 . 1 1 102 102 VAL N N 102 122.207 122.207 119.725 2.482 18905 6802 1 11 . 1 1 102 102 VAL HA H 102 4.933 4.933 4.266 0.667 18905 6803 1 11 . 1 1 102 102 VAL C C 102 175.222 175.222 174.489 0.733 18905 6804 1 11 . 1 1 102 102 VAL CA C 102 57.981 57.981 61.702 -3.721 18905 6805 1 11 . 1 1 102 102 VAL CB C 102 31.183 31.183 32.966 -1.783 18905 6806 1 11 . 1 1 102 102 VAL H H 102 8.503 8.503 8.288 0.215 18905 6807 1 11 . 1 1 103 103 GLU N N 103 124.079 124.079 127.497 -3.418 18905 6808 1 11 . 1 1 103 103 GLU HA H 103 4.557 4.557 4.648 -0.091 18905 6809 1 11 . 1 1 103 103 GLU CA C 103 51.772 51.772 55.258 -3.486 18905 6810 1 11 . 1 1 103 103 GLU CB C 103 31.226 31.226 33.949 -2.723 18905 6811 1 11 . 1 1 103 103 GLU H H 103 8.627 8.627 8.638 -0.011 18905 6812 1 11 . 1 1 104 104 PHE N N 104 121.287 121.287 118.062 3.225 18905 6813 1 11 . 1 1 104 104 PHE HA H 104 5.047 5.047 5.603 -0.556 18905 6814 1 11 . 1 1 104 104 PHE C C 104 173.023 173.023 174.093 -1.070 18905 6815 1 11 . 1 1 104 104 PHE CA C 104 55.305 55.305 54.337 0.968 18905 6816 1 11 . 1 1 104 104 PHE CB C 104 38.342 38.342 41.830 -3.488 18905 6817 1 11 . 1 1 104 104 PHE H H 104 8.778 8.778 8.686 0.092 18905 6818 1 11 . 1 1 105 105 ALA N N 105 127.703 127.703 122.138 5.565 18905 6819 1 11 . 1 1 105 105 ALA HA H 105 4.278 4.278 4.495 -0.217 18905 6820 1 11 . 1 1 105 105 ALA C C 105 172.939 172.939 175.912 -2.973 18905 6821 1 11 . 1 1 105 105 ALA CA C 105 48.936 48.936 51.897 -2.961 18905 6822 1 11 . 1 1 105 105 ALA CB C 105 17.822 17.822 19.553 -1.731 18905 6823 1 11 . 1 1 105 105 ALA H H 105 8.630 8.630 8.864 -0.234 18905 6824 1 11 . 1 1 106 106 LYS N N 106 121.259 121.259 119.119 2.140 18905 6825 1 11 . 1 1 106 106 LYS HA H 106 4.211 4.211 4.192 0.019 18905 6826 1 11 . 1 1 106 106 LYS C C 106 174.939 174.939 176.251 -1.312 18905 6827 1 11 . 1 1 106 106 LYS CA C 106 52.995 52.995 55.818 -2.823 18905 6828 1 11 . 1 1 106 106 LYS CB C 106 30.290 30.290 32.060 -1.770 18905 6829 1 11 . 1 1 106 106 LYS H H 106 8.289 8.289 7.353 0.936 18905 6830 1 11 . 1 1 107 107 GLY N N 107 111.965 111.965 107.285 4.680 18905 6831 1 11 . 1 1 107 107 GLY C C 107 171.215 171.215 173.000 -1.785 18905 6832 1 11 . 1 1 107 107 GLY CA C 107 42.651 42.651 44.290 -1.639 18905 6833 1 11 . 1 1 107 107 GLY H H 107 8.921 8.921 7.946 0.975 18905 6834 1 11 . 1 1 108 108 SER N N 108 114.479 114.479 113.006 1.473 18905 6835 1 11 . 1 1 108 108 SER HA H 108 4.294 4.294 4.734 -0.440 18905 6836 1 11 . 1 1 108 108 SER C C 108 172.040 172.040 174.161 -2.121 18905 6837 1 11 . 1 1 108 108 SER CA C 108 55.336 55.336 57.511 -2.175 18905 6838 1 11 . 1 1 108 108 SER H H 108 8.197 8.197 8.240 -0.043 18905 6839 1 11 . 1 1 109 109 LYS N N 109 123.374 123.374 118.595 4.779 18905 6840 1 11 . 1 1 109 109 LYS HA H 109 4.198 4.198 4.278 -0.080 18905 6841 1 11 . 1 1 109 109 LYS C C 109 173.967 173.967 175.394 -1.427 18905 6842 1 11 . 1 1 109 109 LYS CA C 109 53.730 53.730 56.577 -2.847 18905 6843 1 11 . 1 1 109 109 LYS CB C 109 30.137 30.137 32.486 -2.349 18905 6844 1 11 . 1 1 109 109 LYS H H 109 8.306 8.306 8.439 -0.133 18905 6845 1 11 . 1 1 110 110 ARG N N 110 134.189 134.189 117.416 16.773 18905 6846 1 11 . 1 1 110 110 ARG HA H 110 4.542 4.542 4.595 -0.053 18905 6847 1 11 . 1 1 110 110 ARG C C 110 173.119 173.119 174.645 -1.526 18905 6848 1 11 . 1 1 110 110 ARG CA C 110 52.474 52.474 55.258 -2.784 18905 6849 1 11 . 1 1 110 110 ARG CB C 110 32.296 32.296 32.079 0.217 18905 6850 1 11 . 1 1 111 111 ASP N N 111 123.210 123.210 119.928 3.282 18905 6851 1 11 . 1 1 111 111 ASP HA H 111 4.519 4.519 4.725 -0.206 18905 6852 1 11 . 1 1 111 111 ASP C C 111 174.187 174.187 174.247 -0.060 18905 6853 1 11 . 1 1 111 111 ASP CA C 111 52.307 52.307 53.246 -0.939 18905 6854 1 11 . 1 1 111 111 ASP CB C 111 40.206 40.206 43.856 -3.650 18905 6855 1 11 . 1 1 111 111 ASP H H 111 8.523 8.523 8.473 0.050 18905 6856 1 11 . 1 1 112 112 MET HA H 112 4.330 4.330 5.043 -0.713 18905 6857 1 11 . 1 1 112 112 MET CA C 112 53.074 53.074 54.169 -1.095 18905 6858 1 11 . 1 1 112 112 MET CB C 112 30.057 30.057 34.641 -4.584 18905 6859 1 11 . 1 1 113 113 ALA N N 113 124.061 124.061 128.192 -4.131 18905 6860 1 11 . 1 1 113 113 ALA HA H 113 4.229 4.229 4.680 -0.451 18905 6861 1 11 . 1 1 113 113 ALA C C 113 175.243 175.243 174.770 0.473 18905 6862 1 11 . 1 1 113 113 ALA CA C 113 49.967 49.967 51.731 -1.764 18905 6863 1 11 . 1 1 113 113 ALA CB C 113 16.436 16.436 21.393 -4.957 18905 6864 1 11 . 1 1 113 113 ALA H H 113 8.214 8.214 8.316 -0.102 18905 6865 1 11 . 1 1 114 114 SER N N 114 114.286 114.286 113.753 0.533 18905 6866 1 11 . 1 1 114 114 SER HA H 114 4.376 4.376 5.010 -0.633 18905 6867 1 11 . 1 1 114 114 SER CA C 114 55.596 55.596 57.349 -1.753 18905 6868 1 11 . 1 1 114 114 SER CB C 114 61.009 61.009 65.127 -4.118 18905 6869 1 11 . 1 1 114 114 SER H H 114 8.124 8.124 8.403 -0.279 18905 6870 1 11 . 1 1 119 119 ARG N N 119 122.813 122.813 125.922 -3.109 18905 6871 1 11 . 1 1 119 119 ARG HA H 119 4.294 4.294 4.549 -0.255 18905 6872 1 11 . 1 1 119 119 ARG C C 119 173.654 173.654 174.232 -0.578 18905 6873 1 11 . 1 1 119 119 ARG CA C 119 53.701 53.701 56.274 -2.573 18905 6874 1 11 . 1 1 119 119 ARG CB C 119 28.140 28.140 29.703 -1.563 18905 6875 1 11 . 1 1 119 119 ARG H H 119 8.246 8.246 8.634 -0.388 18905 6876 1 11 . 1 1 120 120 ILE N N 120 121.624 121.624 125.193 -3.569 18905 6877 1 11 . 1 1 120 120 ILE HA H 120 4.099 4.099 4.424 -0.325 18905 6878 1 11 . 1 1 120 120 ILE C C 120 173.651 173.651 175.398 -1.747 18905 6879 1 11 . 1 1 120 120 ILE CA C 120 58.593 58.593 60.879 -2.286 18905 6880 1 11 . 1 1 120 120 ILE CB C 120 36.091 36.091 39.990 -3.899 18905 6881 1 11 . 1 1 120 120 ILE H H 120 8.084 8.084 8.199 -0.115 18905 6882 1 11 . 1 1 121 121 SER N N 121 119.953 119.953 121.138 -1.185 18905 6883 1 11 . 1 1 121 121 SER HA H 121 4.378 4.378 4.672 -0.294 18905 6884 1 11 . 1 1 121 121 SER C C 121 170.780 170.780 174.538 -3.758 18905 6885 1 11 . 1 1 121 121 SER CA C 121 55.506 55.506 57.443 -1.937 18905 6886 1 11 . 1 1 121 121 SER CB C 121 61.571 61.571 65.061 -3.490 18905 6887 1 11 . 1 1 121 121 SER H H 121 8.300 8.300 8.237 0.063 18905 6888 1 11 . 1 1 123 123 ALA N N 123 119.892 119.892 122.797 -2.905 18905 6889 1 11 . 1 1 123 123 ALA HA H 123 4.102 4.102 4.446 -0.344 18905 6890 1 11 . 1 1 123 123 ALA CA C 123 58.473 58.473 52.279 6.194 18905 6891 1 11 . 1 1 123 123 ALA H H 123 8.305 8.305 8.255 0.050 18905 6892 1 11 . 1 1 124 124 SER N N 124 122.264 122.264 113.504 8.760 18905 6893 1 11 . 1 1 124 124 SER HA H 124 4.384 4.384 4.827 -0.443 18905 6894 1 11 . 1 1 124 124 SER CA C 124 55.632 55.632 58.043 -2.411 18905 6895 1 11 . 1 1 124 124 SER CB C 124 60.925 60.925 64.228 -3.303 18905 6896 1 11 . 1 1 124 124 SER H H 124 8.353 8.353 7.992 0.361 18905 6897 1 11 . 1 1 125 125 VAL N N 125 121.433 121.433 120.493 0.940 18905 6898 1 11 . 1 1 125 125 VAL HA H 125 4.073 4.073 4.357 -0.284 18905 6899 1 11 . 1 1 125 125 VAL C C 125 173.240 173.240 174.257 -1.017 18905 6900 1 11 . 1 1 125 125 VAL CA C 125 59.588 59.588 62.451 -2.863 18905 6901 1 11 . 1 1 125 125 VAL CB C 125 30.198 30.198 34.019 -3.821 18905 6902 1 11 . 1 1 125 125 VAL H H 125 8.014 8.014 8.081 -0.067 18905 6903 1 11 . 1 1 126 126 ALA N N 126 127.185 127.185 129.882 -2.697 18905 6904 1 11 . 1 1 126 126 ALA HA H 126 4.278 4.278 4.777 -0.499 18905 6905 1 11 . 1 1 126 126 ALA C C 126 175.118 175.118 175.935 -0.817 18905 6906 1 11 . 1 1 126 126 ALA CA C 126 49.919 49.919 52.209 -2.290 18905 6907 1 11 . 1 1 126 126 ALA CB C 126 16.532 16.532 19.597 -3.065 18905 6908 1 11 . 1 1 126 126 ALA H H 126 8.277 8.277 8.352 -0.075 18905 6909 1 11 . 1 1 127 127 SER N N 127 115.148 115.148 116.139 -0.991 18905 6910 1 11 . 1 1 127 127 SER HA H 127 4.420 4.420 4.521 -0.101 18905 6911 1 11 . 1 1 127 127 SER C C 127 172.168 172.168 174.631 -2.463 18905 6912 1 11 . 1 1 127 127 SER CA C 127 55.770 55.770 58.499 -2.729 18905 6913 1 11 . 1 1 127 127 SER CB C 127 58.992 58.992 63.750 -4.758 18905 6914 1 11 . 1 1 127 127 SER H H 127 8.249 8.249 8.759 -0.510 18905 6915 1 11 . 1 1 128 128 THR N N 128 115.498 115.498 116.054 -0.556 18905 6916 1 11 . 1 1 128 128 THR C C 128 171.392 171.392 174.050 -2.658 18905 6917 1 11 . 1 1 128 128 THR CA C 128 59.083 59.083 62.365 -3.282 18905 6918 1 11 . 1 1 128 128 THR H H 128 8.050 8.050 7.945 0.105 18905 6919 1 11 . 1 1 129 129 ALA N N 129 126.543 126.543 125.793 0.750 18905 6920 1 11 . 1 1 129 129 ALA HA H 129 4.236 4.236 5.151 -0.915 18905 6921 1 11 . 1 1 129 129 ALA C C 129 174.650 174.650 176.506 -1.856 18905 6922 1 11 . 1 1 129 129 ALA CA C 129 49.794 49.794 51.140 -1.346 18905 6923 1 11 . 1 1 129 129 ALA CB C 129 16.538 16.538 21.008 -4.470 18905 6924 1 11 . 1 1 129 129 ALA H H 129 8.160 8.160 8.932 -0.772 18905 6925 1 11 . 1 1 130 130 ILE N N 130 120.371 120.371 116.198 4.173 18905 6926 1 11 . 1 1 130 130 ILE HA H 130 4.099 4.099 5.145 -1.046 18905 6927 1 11 . 1 1 130 130 ILE C C 130 173.651 173.651 175.822 -2.171 18905 6928 1 11 . 1 1 130 130 ILE CA C 130 58.513 58.513 60.064 -1.551 18905 6929 1 11 . 1 1 130 130 ILE CB C 130 36.091 36.091 40.179 -4.088 18905 6930 1 11 . 1 1 130 130 ILE H H 130 8.043 8.043 8.927 -0.884 18905 6931 1 12 . 1 1 4 4 GLY N N 4 110.117 110.117 108.323 1.794 18905 6932 1 12 . 1 1 4 4 GLY C C 4 171.413 171.413 174.032 -2.619 18905 6933 1 12 . 1 1 4 4 GLY CA C 4 42.667 42.667 45.175 -2.509 18905 6934 1 12 . 1 1 4 4 GLY H H 4 8.391 8.391 8.447 -0.056 18905 6935 1 12 . 1 1 5 5 VAL N N 5 119.501 119.501 115.823 3.678 18905 6936 1 12 . 1 1 5 5 VAL HA H 5 4.018 4.018 4.417 -0.399 18905 6937 1 12 . 1 1 5 5 VAL C C 5 173.738 173.738 175.498 -1.760 18905 6938 1 12 . 1 1 5 5 VAL CA C 5 59.923 59.923 61.395 -1.472 18905 6939 1 12 . 1 1 5 5 VAL CB C 5 30.111 30.111 31.674 -1.563 18905 6940 1 12 . 1 1 5 5 VAL H H 5 7.951 7.951 7.673 0.278 18905 6941 1 12 . 1 1 6 6 LEU N N 6 125.484 125.484 124.292 1.192 18905 6942 1 12 . 1 1 6 6 LEU HA H 6 4.280 4.280 4.669 -0.389 18905 6943 1 12 . 1 1 6 6 LEU C C 6 174.708 174.708 176.895 -2.187 18905 6944 1 12 . 1 1 6 6 LEU CA C 6 52.535 52.535 54.755 -2.220 18905 6945 1 12 . 1 1 6 6 LEU CB C 6 39.586 39.586 42.570 -2.984 18905 6946 1 12 . 1 1 6 6 LEU H H 6 8.248 8.248 8.010 0.238 18905 6947 1 12 . 1 1 7 7 ALA N N 7 124.939 124.939 122.319 2.620 18905 6948 1 12 . 1 1 7 7 ALA HA H 7 4.234 4.234 5.141 -0.907 18905 6949 1 12 . 1 1 7 7 ALA C C 7 174.865 174.865 175.806 -0.941 18905 6950 1 12 . 1 1 7 7 ALA CA C 7 50.136 50.136 51.741 -1.605 18905 6951 1 12 . 1 1 7 7 ALA CB C 7 16.500 16.500 20.710 -4.210 18905 6952 1 12 . 1 1 7 7 ALA H H 7 8.241 8.241 8.643 -0.402 18905 6953 1 12 . 1 1 8 8 SER N N 8 117.901 117.901 114.970 2.931 18905 6954 1 12 . 1 1 8 8 SER HA H 8 4.377 4.377 4.710 -0.333 18905 6955 1 12 . 1 1 8 8 SER C C 8 172.221 172.221 172.947 -0.726 18905 6956 1 12 . 1 1 8 8 SER CA C 8 56.008 56.008 58.019 -2.011 18905 6957 1 12 . 1 1 8 8 SER CB C 8 61.008 61.008 64.897 -3.889 18905 6958 1 12 . 1 1 8 8 SER H H 8 8.347 8.347 8.386 -0.039 18905 6959 1 12 . 1 1 9 9 GLN N N 9 122.019 122.019 119.927 2.092 18905 6960 1 12 . 1 1 9 9 GLN HA H 9 4.302 4.302 4.708 -0.406 18905 6961 1 12 . 1 1 9 9 GLN C C 9 173.160 173.160 174.235 -1.075 18905 6962 1 12 . 1 1 9 9 GLN CA C 9 53.470 53.470 55.290 -1.820 18905 6963 1 12 . 1 1 9 9 GLN CB C 9 26.663 26.663 29.870 -3.207 18905 6964 1 12 . 1 1 9 9 GLN H H 9 8.240 8.240 8.446 -0.206 18905 6965 1 12 . 1 1 10 10 ALA N N 10 124.490 124.490 126.389 -1.899 18905 6966 1 12 . 1 1 10 10 ALA HA H 10 4.238 4.238 4.610 -0.372 18905 6967 1 12 . 1 1 10 10 ALA C C 10 175.142 175.142 176.299 -1.157 18905 6968 1 12 . 1 1 10 10 ALA CA C 10 50.121 50.121 52.481 -2.360 18905 6969 1 12 . 1 1 10 10 ALA CB C 10 16.322 16.322 19.573 -3.251 18905 6970 1 12 . 1 1 10 10 ALA H H 10 8.132 8.132 8.357 -0.225 18905 6971 1 12 . 1 1 11 11 LEU N N 11 120.785 120.785 122.812 -2.027 18905 6972 1 12 . 1 1 11 11 LEU HA H 11 4.278 4.278 4.578 -0.300 18905 6973 1 12 . 1 1 11 11 LEU C C 11 174.929 174.929 176.910 -1.981 18905 6974 1 12 . 1 1 11 11 LEU CA C 11 52.612 52.612 54.702 -2.090 18905 6975 1 12 . 1 1 11 11 LEU CB C 11 39.647 39.647 43.888 -4.241 18905 6976 1 12 . 1 1 11 11 LEU H H 11 8.088 8.088 8.022 0.066 18905 6977 1 12 . 1 1 12 12 SER N N 12 116.121 116.121 119.924 -3.803 18905 6978 1 12 . 1 1 12 12 SER C C 12 171.977 171.977 174.349 -2.372 18905 6979 1 12 . 1 1 12 12 SER CA C 12 55.621 55.621 57.692 -2.071 18905 6980 1 12 . 1 1 12 12 SER CB C 12 56.041 56.041 63.893 -7.852 18905 6981 1 12 . 1 1 12 12 SER H H 12 8.170 8.170 8.521 -0.351 18905 6982 1 12 . 1 1 13 13 GLN N N 13 122.139 122.139 120.205 1.934 18905 6983 1 12 . 1 1 13 13 GLN HA H 13 4.312 4.312 4.480 -0.168 18905 6984 1 12 . 1 1 13 13 GLN CA C 13 54.059 54.059 54.985 -0.926 18905 6985 1 12 . 1 1 13 13 GLN H H 13 8.368 8.368 8.456 -0.088 18905 6986 1 12 . 1 1 14 14 GLY N N 14 109.259 109.259 110.531 -1.272 18905 6987 1 12 . 1 1 14 14 GLY CA C 14 42.970 42.970 45.259 -2.289 18905 6988 1 12 . 1 1 14 14 GLY H H 14 8.378 8.378 8.829 -0.451 18905 6989 1 12 . 1 1 15 15 SER N N 15 115.486 115.486 116.756 -1.270 18905 6990 1 12 . 1 1 15 15 SER HA H 15 4.378 4.378 4.546 -0.168 18905 6991 1 12 . 1 1 15 15 SER CA C 15 55.853 55.853 57.323 -1.470 18905 6992 1 12 . 1 1 15 15 SER CB C 15 59.406 59.406 65.317 -5.911 18905 6993 1 12 . 1 1 15 15 SER H H 15 8.085 8.085 8.039 0.046 18905 6994 1 12 . 1 1 16 16 GLU N N 16 120.501 120.501 120.753 -0.252 18905 6995 1 12 . 1 1 16 16 GLU HA H 16 4.664 4.664 4.596 0.068 18905 6996 1 12 . 1 1 16 16 GLU CA C 16 50.628 50.628 54.457 -3.829 18905 6997 1 12 . 1 1 16 16 GLU CB C 16 36.442 36.442 29.183 7.259 18905 6998 1 12 . 1 1 16 16 GLU H H 16 8.376 8.376 8.448 -0.072 18905 6999 1 12 . 1 1 17 17 PRO CA C 17 65.700 65.700 62.556 3.144 18905 7000 1 12 . 1 1 22 22 ALA N N 22 124.130 124.130 124.409 -0.279 18905 7001 1 12 . 1 1 22 22 ALA HA H 22 4.178 4.178 4.516 -0.338 18905 7002 1 12 . 1 1 22 22 ALA CA C 22 49.746 49.746 51.559 -1.813 18905 7003 1 12 . 1 1 22 22 ALA CB C 22 16.789 16.789 19.563 -2.774 18905 7004 1 12 . 1 1 22 22 ALA H H 22 8.096 8.096 8.588 -0.492 18905 7005 1 12 . 1 1 23 23 ASN N N 23 117.516 117.516 116.556 0.960 18905 7006 1 12 . 1 1 23 23 ASN HA H 23 4.672 4.672 4.806 -0.134 18905 7007 1 12 . 1 1 23 23 ASN C C 23 171.179 171.179 173.412 -2.233 18905 7008 1 12 . 1 1 23 23 ASN CA C 23 50.084 50.084 51.219 -1.135 18905 7009 1 12 . 1 1 23 23 ASN CB C 23 36.737 36.737 41.148 -4.411 18905 7010 1 12 . 1 1 23 23 ASN H H 23 8.037 8.037 7.854 0.183 18905 7011 1 12 . 1 1 24 24 ASP N N 24 118.387 118.387 118.813 -0.426 18905 7012 1 12 . 1 1 24 24 ASP HA H 24 4.676 4.676 4.754 -0.078 18905 7013 1 12 . 1 1 24 24 ASP CA C 24 50.660 50.660 53.934 -3.274 18905 7014 1 12 . 1 1 24 24 ASP CB C 24 40.670 40.670 41.203 -0.533 18905 7015 1 12 . 1 1 24 24 ASP H H 24 8.198 8.198 8.489 -0.291 18905 7016 1 12 . 1 1 25 25 THR N N 25 114.224 114.224 116.259 -2.035 18905 7017 1 12 . 1 1 25 25 THR HA H 25 5.275 5.275 4.822 0.453 18905 7018 1 12 . 1 1 25 25 THR CA C 25 59.162 59.162 61.639 -2.477 18905 7019 1 12 . 1 1 25 25 THR CB C 25 68.849 68.849 71.853 -3.004 18905 7020 1 12 . 1 1 25 25 THR H H 25 8.090 8.090 8.229 -0.139 18905 7021 1 12 . 1 1 26 26 ILE N N 26 126.637 126.637 125.250 1.387 18905 7022 1 12 . 1 1 26 26 ILE HA H 26 4.650 4.650 4.431 0.219 18905 7023 1 12 . 1 1 26 26 ILE C C 26 171.500 171.500 173.454 -1.954 18905 7024 1 12 . 1 1 26 26 ILE CA C 26 56.930 56.930 58.933 -2.003 18905 7025 1 12 . 1 1 26 26 ILE CB C 26 38.159 38.159 40.047 -1.888 18905 7026 1 12 . 1 1 26 26 ILE H H 26 9.314 9.314 8.336 0.978 18905 7027 1 12 . 1 1 27 27 ILE N N 27 126.764 126.764 124.329 2.435 18905 7028 1 12 . 1 1 27 27 ILE HA H 27 4.955 4.955 4.867 0.088 18905 7029 1 12 . 1 1 27 27 ILE C C 27 171.462 171.462 173.780 -2.318 18905 7030 1 12 . 1 1 27 27 ILE CA C 27 56.909 56.909 59.411 -2.502 18905 7031 1 12 . 1 1 27 27 ILE CB C 27 38.397 38.397 42.264 -3.868 18905 7032 1 12 . 1 1 27 27 ILE H H 27 9.280 9.280 7.851 1.429 18905 7033 1 12 . 1 1 28 28 LEU N N 28 125.666 125.666 126.971 -1.305 18905 7034 1 12 . 1 1 28 28 LEU HA H 28 4.858 4.858 4.905 -0.047 18905 7035 1 12 . 1 1 28 28 LEU C C 28 172.714 172.714 176.369 -3.655 18905 7036 1 12 . 1 1 28 28 LEU CA C 28 50.153 50.153 52.831 -2.678 18905 7037 1 12 . 1 1 28 28 LEU CB C 28 39.943 39.943 43.304 -3.361 18905 7038 1 12 . 1 1 28 28 LEU H H 28 8.791 8.791 8.828 -0.037 18905 7039 1 12 . 1 1 29 29 ARG N N 29 119.656 119.656 119.669 -0.013 18905 7040 1 12 . 1 1 29 29 ARG HA H 29 5.023 5.023 4.883 0.140 18905 7041 1 12 . 1 1 29 29 ARG C C 29 172.927 172.927 175.798 -2.871 18905 7042 1 12 . 1 1 29 29 ARG CA C 29 51.933 51.933 54.475 -2.542 18905 7043 1 12 . 1 1 29 29 ARG CB C 29 31.298 31.298 33.771 -2.473 18905 7044 1 12 . 1 1 29 29 ARG H H 29 8.742 8.742 8.028 0.714 18905 7045 1 12 . 1 1 30 30 ASN N N 30 115.104 115.104 117.518 -2.414 18905 7046 1 12 . 1 1 30 30 ASN HA H 30 4.319 4.319 4.431 -0.112 18905 7047 1 12 . 1 1 30 30 ASN C C 30 172.025 172.025 173.527 -1.502 18905 7048 1 12 . 1 1 30 30 ASN CA C 30 51.550 51.550 53.941 -2.391 18905 7049 1 12 . 1 1 30 30 ASN CB C 30 35.656 35.656 37.728 -2.072 18905 7050 1 12 . 1 1 30 30 ASN H H 30 8.292 8.292 8.912 -0.620 18905 7051 1 12 . 1 1 31 31 LEU N N 31 113.394 113.394 118.947 -5.553 18905 7052 1 12 . 1 1 31 31 LEU HA H 31 3.915 3.915 4.577 -0.662 18905 7053 1 12 . 1 1 31 31 LEU C C 31 175.815 175.815 176.039 -0.224 18905 7054 1 12 . 1 1 31 31 LEU CA C 31 52.148 52.148 53.901 -1.753 18905 7055 1 12 . 1 1 31 31 LEU CB C 31 39.876 39.876 45.189 -5.313 18905 7056 1 12 . 1 1 31 31 LEU H H 31 7.602 7.602 7.508 0.094 18905 7057 1 12 . 1 1 32 32 ASN N N 32 123.357 123.357 117.678 5.679 18905 7058 1 12 . 1 1 32 32 ASN HA H 32 4.476 4.476 5.138 -0.662 18905 7059 1 12 . 1 1 32 32 ASN CA C 32 48.784 48.784 50.644 -1.859 18905 7060 1 12 . 1 1 32 32 ASN CB C 32 36.284 36.284 39.825 -3.541 18905 7061 1 12 . 1 1 32 32 ASN H H 32 9.816 9.816 8.454 1.362 18905 7062 1 12 . 1 1 33 33 PRO HA H 33 4.339 4.339 4.510 -0.171 18905 7063 1 12 . 1 1 33 33 PRO CA C 33 61.514 61.514 64.949 -3.435 18905 7064 1 12 . 1 1 33 33 PRO CB C 33 30.320 30.320 31.910 -1.591 18905 7065 1 12 . 1 1 34 34 HIS N N 34 111.187 111.187 115.032 -3.845 18905 7066 1 12 . 1 1 34 34 HIS HA H 34 4.402 4.402 4.748 -0.346 18905 7067 1 12 . 1 1 34 34 HIS CA C 34 53.125 53.125 55.651 -2.526 18905 7068 1 12 . 1 1 34 34 HIS CB C 34 25.760 25.760 29.568 -3.808 18905 7069 1 12 . 1 1 34 34 HIS H H 34 8.856 8.856 8.382 0.474 18905 7070 1 12 . 1 1 35 35 SER N N 35 118.219 118.219 116.572 1.647 18905 7071 1 12 . 1 1 35 35 SER HA H 35 4.718 4.718 4.333 0.385 18905 7072 1 12 . 1 1 35 35 SER CB C 35 60.222 60.222 64.019 -3.797 18905 7073 1 12 . 1 1 35 35 SER H H 35 8.262 8.262 7.757 0.505 18905 7074 1 12 . 1 1 36 36 THR N N 36 114.157 114.157 112.825 1.332 18905 7075 1 12 . 1 1 36 36 THR HA H 36 4.545 4.545 4.745 -0.200 18905 7076 1 12 . 1 1 36 36 THR CA C 36 56.508 56.508 60.573 -4.065 18905 7077 1 12 . 1 1 36 36 THR CB C 36 70.051 70.051 70.655 -0.604 18905 7078 1 12 . 1 1 36 36 THR H H 36 8.451 8.451 8.202 0.249 18905 7079 1 12 . 1 1 37 37 MET N N 37 119.815 119.815 118.646 1.169 18905 7080 1 12 . 1 1 37 37 MET HA H 37 3.943 3.943 4.306 -0.363 18905 7081 1 12 . 1 1 37 37 MET CA C 37 56.204 56.204 58.229 -2.025 18905 7082 1 12 . 1 1 37 37 MET CB C 37 28.959 28.959 32.332 -3.373 18905 7083 1 12 . 1 1 37 37 MET H H 37 8.928 8.928 8.719 0.209 18905 7084 1 12 . 1 1 38 38 ASP N N 38 115.357 115.357 119.592 -4.235 18905 7085 1 12 . 1 1 38 38 ASP HA H 38 4.301 4.301 4.529 -0.228 18905 7086 1 12 . 1 1 38 38 ASP CA C 38 54.750 54.750 56.958 -2.208 18905 7087 1 12 . 1 1 38 38 ASP CB C 38 37.934 37.934 39.973 -2.039 18905 7088 1 12 . 1 1 38 38 ASP H H 38 8.096 8.096 8.796 -0.700 18905 7089 1 12 . 1 1 39 39 SER N N 39 118.933 118.933 116.913 2.020 18905 7090 1 12 . 1 1 39 39 SER HA H 39 4.253 4.253 4.141 0.112 18905 7091 1 12 . 1 1 39 39 SER C C 39 174.818 174.818 176.455 -1.637 18905 7092 1 12 . 1 1 39 39 SER CA C 39 58.767 58.767 61.617 -2.850 18905 7093 1 12 . 1 1 39 39 SER CB C 39 61.631 61.631 62.802 -1.171 18905 7094 1 12 . 1 1 39 39 SER H H 39 8.088 8.088 7.717 0.371 18905 7095 1 12 . 1 1 40 40 ILE N N 40 124.376 124.376 122.050 2.326 18905 7096 1 12 . 1 1 40 40 ILE HA H 40 3.538 3.538 3.824 -0.286 18905 7097 1 12 . 1 1 40 40 ILE C C 40 174.358 174.358 177.556 -3.198 18905 7098 1 12 . 1 1 40 40 ILE CA C 40 62.936 62.936 64.738 -1.802 18905 7099 1 12 . 1 1 40 40 ILE CB C 40 35.725 35.725 37.885 -2.160 18905 7100 1 12 . 1 1 40 40 ILE H H 40 8.009 8.009 7.644 0.365 18905 7101 1 12 . 1 1 41 41 LEU N N 41 117.914 117.914 119.530 -1.616 18905 7102 1 12 . 1 1 41 41 LEU HA H 41 3.818 3.818 3.916 -0.098 18905 7103 1 12 . 1 1 41 41 LEU C C 41 178.292 178.292 178.840 -0.548 18905 7104 1 12 . 1 1 41 41 LEU CA C 41 55.496 55.496 57.556 -2.060 18905 7105 1 12 . 1 1 41 41 LEU CB C 41 38.574 38.574 41.841 -3.267 18905 7106 1 12 . 1 1 41 41 LEU H H 41 8.574 8.574 7.655 0.919 18905 7107 1 12 . 1 1 42 42 GLY N N 42 105.053 105.053 103.919 1.134 18905 7108 1 12 . 1 1 42 42 GLY C C 42 173.318 173.318 174.977 -1.659 18905 7109 1 12 . 1 1 42 42 GLY CA C 42 44.283 44.283 45.534 -1.251 18905 7110 1 12 . 1 1 42 42 GLY H H 42 8.207 8.207 8.236 -0.029 18905 7111 1 12 . 1 1 43 43 ALA N N 43 122.411 122.411 123.355 -0.944 18905 7112 1 12 . 1 1 43 43 ALA HA H 43 4.245 4.245 4.203 0.042 18905 7113 1 12 . 1 1 43 43 ALA C C 43 176.200 176.200 178.065 -1.865 18905 7114 1 12 . 1 1 43 43 ALA CA C 43 51.148 51.148 53.922 -2.774 18905 7115 1 12 . 1 1 43 43 ALA CB C 43 17.381 17.381 19.614 -2.233 18905 7116 1 12 . 1 1 43 43 ALA H H 43 7.571 7.571 7.830 -0.259 18905 7117 1 12 . 1 1 44 44 LEU N N 44 113.121 113.121 118.237 -5.116 18905 7118 1 12 . 1 1 44 44 LEU HA H 44 4.514 4.514 4.643 -0.129 18905 7119 1 12 . 1 1 44 44 LEU C C 44 174.187 174.187 178.164 -3.977 18905 7120 1 12 . 1 1 44 44 LEU CA C 44 52.247 52.247 53.763 -1.516 18905 7121 1 12 . 1 1 44 44 LEU CB C 44 40.210 40.210 40.403 -0.193 18905 7122 1 12 . 1 1 44 44 LEU H H 44 7.533 7.533 7.829 -0.296 18905 7123 1 12 . 1 1 45 45 ALA N N 45 123.574 123.574 125.352 -1.778 18905 7124 1 12 . 1 1 45 45 ALA HA H 45 4.313 4.313 4.134 0.179 18905 7125 1 12 . 1 1 45 45 ALA CA C 45 53.187 53.187 56.008 -2.821 18905 7126 1 12 . 1 1 45 45 ALA CB C 45 14.134 14.134 17.144 -3.010 18905 7127 1 12 . 1 1 45 45 ALA H H 45 7.398 7.398 8.239 -0.841 18905 7128 1 12 . 1 1 46 46 PRO HA H 46 4.043 4.043 4.240 -0.197 18905 7129 1 12 . 1 1 46 46 PRO CA C 46 61.784 61.784 64.099 -2.315 18905 7130 1 12 . 1 1 46 46 PRO CB C 46 27.999 27.999 31.037 -3.038 18905 7131 1 12 . 1 1 47 47 TYR N N 47 114.404 114.404 118.090 -3.686 18905 7132 1 12 . 1 1 47 47 TYR HA H 47 4.527 4.527 4.704 -0.177 18905 7133 1 12 . 1 1 47 47 TYR CA C 47 54.406 54.406 56.378 -1.972 18905 7134 1 12 . 1 1 47 47 TYR CB C 47 37.537 37.537 39.031 -1.494 18905 7135 1 12 . 1 1 47 47 TYR H H 47 7.897 7.897 7.580 0.317 18905 7136 1 12 . 1 1 48 48 ALA N N 48 119.845 119.845 122.800 -2.955 18905 7137 1 12 . 1 1 48 48 ALA HA H 48 4.360 4.360 4.654 -0.294 18905 7138 1 12 . 1 1 48 48 ALA C C 48 171.938 171.938 175.926 -3.988 18905 7139 1 12 . 1 1 48 48 ALA CA C 48 49.129 49.129 51.827 -2.698 18905 7140 1 12 . 1 1 48 48 ALA CB C 48 19.614 19.614 20.408 -0.794 18905 7141 1 12 . 1 1 48 48 ALA H H 48 8.083 8.083 7.296 0.787 18905 7142 1 12 . 1 1 49 49 VAL N N 49 122.528 122.528 125.414 -2.886 18905 7143 1 12 . 1 1 49 49 VAL HA H 49 3.904 3.904 4.009 -0.105 18905 7144 1 12 . 1 1 49 49 VAL C C 49 172.490 172.490 175.372 -2.882 18905 7145 1 12 . 1 1 49 49 VAL CA C 49 60.373 60.373 63.582 -3.209 18905 7146 1 12 . 1 1 49 49 VAL CB C 49 28.257 28.257 30.344 -2.087 18905 7147 1 12 . 1 1 49 49 VAL H H 49 8.414 8.414 8.576 -0.162 18905 7148 1 12 . 1 1 50 50 LEU N N 50 127.924 127.924 122.598 5.326 18905 7149 1 12 . 1 1 50 50 LEU HA H 50 4.650 4.650 4.838 -0.188 18905 7150 1 12 . 1 1 50 50 LEU C C 50 172.488 172.488 174.828 -2.340 18905 7151 1 12 . 1 1 50 50 LEU CA C 50 50.523 50.523 53.669 -3.146 18905 7152 1 12 . 1 1 50 50 LEU CB C 50 42.647 42.647 44.051 -1.404 18905 7153 1 12 . 1 1 50 50 LEU H H 50 7.904 7.904 7.581 0.323 18905 7154 1 12 . 1 1 51 51 SER N N 51 114.999 114.999 113.362 1.637 18905 7155 1 12 . 1 1 51 51 SER HA H 51 4.783 4.783 4.817 -0.034 18905 7156 1 12 . 1 1 51 51 SER C C 51 172.827 172.827 174.752 -1.925 18905 7157 1 12 . 1 1 51 51 SER CA C 51 53.708 53.708 57.255 -3.547 18905 7158 1 12 . 1 1 51 51 SER CB C 51 63.424 63.424 65.677 -2.253 18905 7159 1 12 . 1 1 51 51 SER H H 51 8.623 8.623 8.432 0.191 18905 7160 1 12 . 1 1 52 52 SER N N 52 118.355 118.355 116.232 2.123 18905 7161 1 12 . 1 1 52 52 SER HA H 52 4.301 4.301 4.408 -0.107 18905 7162 1 12 . 1 1 52 52 SER C C 52 173.242 173.242 175.151 -1.909 18905 7163 1 12 . 1 1 52 52 SER CA C 52 58.709 58.709 59.884 -1.175 18905 7164 1 12 . 1 1 52 52 SER CB C 52 59.826 59.826 63.174 -3.348 18905 7165 1 12 . 1 1 52 52 SER H H 52 9.117 9.117 8.549 0.568 18905 7166 1 12 . 1 1 53 53 SER N N 53 114.926 114.926 116.733 -1.807 18905 7167 1 12 . 1 1 53 53 SER HA H 53 4.292 4.292 4.345 -0.053 18905 7168 1 12 . 1 1 53 53 SER CA C 53 57.882 57.882 60.213 -2.331 18905 7169 1 12 . 1 1 53 53 SER CB C 53 60.220 60.220 63.354 -3.134 18905 7170 1 12 . 1 1 53 53 SER H H 53 8.014 8.014 7.897 0.117 18905 7171 1 12 . 1 1 54 54 ASN N N 54 116.432 116.432 118.153 -1.721 18905 7172 1 12 . 1 1 54 54 ASN HA H 54 4.914 4.914 4.718 0.196 18905 7173 1 12 . 1 1 54 54 ASN C C 54 170.744 170.744 175.633 -4.889 18905 7174 1 12 . 1 1 54 54 ASN CA C 54 52.054 52.054 54.826 -2.772 18905 7175 1 12 . 1 1 54 54 ASN CB C 54 38.952 38.952 39.339 -0.387 18905 7176 1 12 . 1 1 54 54 ASN H H 54 7.996 7.996 7.740 0.256 18905 7177 1 12 . 1 1 55 55 VAL N N 55 118.877 118.877 120.526 -1.649 18905 7178 1 12 . 1 1 55 55 VAL HA H 55 4.891 4.891 4.052 0.839 18905 7179 1 12 . 1 1 55 55 VAL C C 55 171.238 171.238 175.212 -3.974 18905 7180 1 12 . 1 1 55 55 VAL CA C 55 58.709 58.709 63.233 -4.524 18905 7181 1 12 . 1 1 55 55 VAL CB C 55 31.652 31.652 32.350 -0.698 18905 7182 1 12 . 1 1 55 55 VAL H H 55 7.421 7.421 7.302 0.119 18905 7183 1 12 . 1 1 56 56 ARG N N 56 125.757 125.757 128.494 -2.737 18905 7184 1 12 . 1 1 56 56 ARG HA H 56 4.708 4.708 4.747 -0.039 18905 7185 1 12 . 1 1 56 56 ARG C C 56 172.321 172.321 174.274 -1.953 18905 7186 1 12 . 1 1 56 56 ARG CA C 56 51.878 51.878 54.419 -2.541 18905 7187 1 12 . 1 1 56 56 ARG CB C 56 30.211 30.211 34.659 -4.448 18905 7188 1 12 . 1 1 56 56 ARG H H 56 9.011 9.011 9.064 -0.053 18905 7189 1 12 . 1 1 57 57 VAL N N 57 125.646 125.646 125.310 0.336 18905 7190 1 12 . 1 1 57 57 VAL HA H 57 3.878 3.878 4.251 -0.373 18905 7191 1 12 . 1 1 57 57 VAL C C 57 172.129 172.129 174.919 -2.790 18905 7192 1 12 . 1 1 57 57 VAL CA C 57 59.043 59.043 60.981 -1.938 18905 7193 1 12 . 1 1 57 57 VAL CB C 57 30.019 30.019 33.017 -2.998 18905 7194 1 12 . 1 1 57 57 VAL H H 57 8.794 8.794 8.487 0.307 18905 7195 1 12 . 1 1 58 58 ILE N N 58 127.547 127.547 128.875 -1.328 18905 7196 1 12 . 1 1 58 58 ILE HA H 58 4.049 4.049 4.116 -0.067 18905 7197 1 12 . 1 1 58 58 ILE C C 58 172.672 172.672 175.601 -2.929 18905 7198 1 12 . 1 1 58 58 ILE CA C 58 57.246 57.246 60.521 -3.275 18905 7199 1 12 . 1 1 58 58 ILE CB C 58 32.839 32.839 38.538 -5.699 18905 7200 1 12 . 1 1 58 58 ILE H H 58 7.259 7.259 8.355 -1.096 18905 7201 1 12 . 1 1 59 59 LYS N N 59 127.231 127.231 121.183 6.048 18905 7202 1 12 . 1 1 59 59 LYS HA H 59 4.532 4.532 4.568 -0.036 18905 7203 1 12 . 1 1 59 59 LYS C C 59 173.119 173.119 175.196 -2.077 18905 7204 1 12 . 1 1 59 59 LYS CA C 59 52.444 52.444 54.648 -2.204 18905 7205 1 12 . 1 1 59 59 LYS CB C 59 32.374 32.374 35.406 -3.032 18905 7206 1 12 . 1 1 59 59 LYS H H 59 8.571 8.571 7.895 0.676 18905 7207 1 12 . 1 1 60 60 ASP N N 60 123.232 123.232 121.321 1.911 18905 7208 1 12 . 1 1 60 60 ASP HA H 60 4.496 4.496 4.592 -0.096 18905 7209 1 12 . 1 1 60 60 ASP C C 60 174.118 174.118 176.939 -2.821 18905 7210 1 12 . 1 1 60 60 ASP CA C 60 50.786 50.786 54.227 -3.441 18905 7211 1 12 . 1 1 60 60 ASP CB C 60 40.058 40.058 42.422 -2.364 18905 7212 1 12 . 1 1 60 60 ASP H H 60 8.527 8.527 8.684 -0.157 18905 7213 1 12 . 1 1 61 61 LYS N N 61 125.977 125.977 121.046 4.931 18905 7214 1 12 . 1 1 61 61 LYS HA H 61 3.918 3.918 4.185 -0.267 18905 7215 1 12 . 1 1 61 61 LYS C C 61 174.696 174.696 177.681 -2.985 18905 7216 1 12 . 1 1 61 61 LYS CA C 61 56.017 56.017 58.334 -2.317 18905 7217 1 12 . 1 1 61 61 LYS CB C 61 29.813 29.813 32.697 -2.885 18905 7218 1 12 . 1 1 61 61 LYS H H 61 8.770 8.770 8.538 0.232 18905 7219 1 12 . 1 1 62 62 GLN N N 62 116.732 116.732 118.024 -1.292 18905 7220 1 12 . 1 1 62 62 GLN HA H 62 4.252 4.252 4.221 0.031 18905 7221 1 12 . 1 1 62 62 GLN C C 62 174.793 174.793 176.736 -1.943 18905 7222 1 12 . 1 1 62 62 GLN CA C 62 55.001 55.001 57.097 -2.096 18905 7223 1 12 . 1 1 62 62 GLN CB C 62 26.516 26.516 29.464 -2.948 18905 7224 1 12 . 1 1 62 62 GLN H H 62 8.538 8.538 8.782 -0.244 18905 7225 1 12 . 1 1 63 63 THR N N 63 108.519 108.519 110.995 -2.476 18905 7226 1 12 . 1 1 63 63 THR HA H 63 4.265 4.265 4.558 -0.293 18905 7227 1 12 . 1 1 63 63 THR CA C 63 59.302 59.302 60.092 -0.790 18905 7228 1 12 . 1 1 63 63 THR CB C 63 67.891 67.891 70.938 -3.046 18905 7229 1 12 . 1 1 63 63 THR H H 63 7.882 7.882 7.850 0.032 18905 7230 1 12 . 1 1 64 64 GLN N N 64 113.890 113.890 118.454 -4.564 18905 7231 1 12 . 1 1 64 64 GLN HA H 64 3.829 3.829 4.579 -0.750 18905 7232 1 12 . 1 1 64 64 GLN C C 64 172.129 172.129 174.811 -2.682 18905 7233 1 12 . 1 1 64 64 GLN CA C 64 54.560 54.560 54.939 -0.379 18905 7234 1 12 . 1 1 64 64 GLN CB C 64 23.812 23.812 28.675 -4.863 18905 7235 1 12 . 1 1 64 64 GLN H H 64 8.188 8.188 8.396 -0.208 18905 7236 1 12 . 1 1 65 65 LEU N N 65 119.516 119.516 119.564 -0.048 18905 7237 1 12 . 1 1 65 65 LEU HA H 65 4.463 4.463 4.518 -0.055 18905 7238 1 12 . 1 1 65 65 LEU C C 65 174.174 174.174 175.214 -1.040 18905 7239 1 12 . 1 1 65 65 LEU CA C 65 51.024 51.024 53.118 -2.094 18905 7240 1 12 . 1 1 65 65 LEU CB C 65 39.608 39.608 45.546 -5.938 18905 7241 1 12 . 1 1 65 65 LEU H H 65 7.682 7.682 7.558 0.124 18905 7242 1 12 . 1 1 66 66 ASN N N 66 117.776 117.776 118.513 -0.737 18905 7243 1 12 . 1 1 66 66 ASN HA H 66 4.958 4.958 4.825 0.133 18905 7244 1 12 . 1 1 66 66 ASN C C 66 171.913 171.913 176.761 -4.848 18905 7245 1 12 . 1 1 66 66 ASN CA C 66 50.440 50.440 53.004 -2.564 18905 7246 1 12 . 1 1 66 66 ASN CB C 66 36.771 36.771 38.916 -2.145 18905 7247 1 12 . 1 1 66 66 ASN H H 66 8.771 8.771 7.943 0.828 18905 7248 1 12 . 1 1 67 67 ARG N N 67 117.508 117.508 124.086 -6.578 18905 7249 1 12 . 1 1 67 67 ARG HA H 67 4.193 4.193 4.233 -0.040 18905 7250 1 12 . 1 1 67 67 ARG CA C 67 53.615 53.615 56.928 -3.313 18905 7251 1 12 . 1 1 67 67 ARG CB C 67 28.137 28.137 29.484 -1.347 18905 7252 1 12 . 1 1 67 67 ARG H H 67 8.313 8.313 8.579 -0.266 18905 7253 1 12 . 1 1 68 68 GLY N N 68 107.904 107.904 105.181 2.723 18905 7254 1 12 . 1 1 68 68 GLY CA C 68 42.842 42.842 45.012 -2.170 18905 7255 1 12 . 1 1 68 68 GLY H H 68 9.437 9.437 8.506 0.931 18905 7256 1 12 . 1 1 69 69 PHE N N 69 113.804 113.804 114.268 -0.464 18905 7257 1 12 . 1 1 69 69 PHE HA H 69 5.754 5.754 5.558 0.196 18905 7258 1 12 . 1 1 69 69 PHE C C 69 170.151 170.151 172.927 -2.776 18905 7259 1 12 . 1 1 69 69 PHE CA C 69 51.625 51.625 54.822 -3.197 18905 7260 1 12 . 1 1 69 69 PHE CB C 69 39.587 39.587 41.697 -2.110 18905 7261 1 12 . 1 1 69 69 PHE H H 69 6.750 6.750 7.337 -0.587 18905 7262 1 12 . 1 1 70 70 ALA N N 70 118.965 118.965 119.890 -0.925 18905 7263 1 12 . 1 1 70 70 ALA HA H 70 4.807 4.807 4.669 0.138 18905 7264 1 12 . 1 1 70 70 ALA C C 70 171.693 171.693 174.755 -3.062 18905 7265 1 12 . 1 1 70 70 ALA CA C 70 47.155 47.155 51.002 -3.847 18905 7266 1 12 . 1 1 70 70 ALA CB C 70 21.153 21.153 22.680 -1.527 18905 7267 1 12 . 1 1 70 70 ALA H H 70 8.526 8.526 8.486 0.040 18905 7268 1 12 . 1 1 71 71 PHE N N 71 117.469 117.469 119.195 -1.726 18905 7269 1 12 . 1 1 71 71 PHE HA H 71 5.537 5.537 5.535 0.002 18905 7270 1 12 . 1 1 71 71 PHE C C 71 172.630 172.630 173.468 -0.838 18905 7271 1 12 . 1 1 71 71 PHE CA C 71 52.609 52.609 56.773 -4.163 18905 7272 1 12 . 1 1 71 71 PHE CB C 71 39.675 39.675 44.243 -4.569 18905 7273 1 12 . 1 1 71 71 PHE H H 71 8.824 8.824 8.747 0.077 18905 7274 1 12 . 1 1 72 72 ILE N N 72 122.867 122.867 123.395 -0.528 18905 7275 1 12 . 1 1 72 72 ILE HA H 72 5.022 5.022 4.667 0.355 18905 7276 1 12 . 1 1 72 72 ILE CA C 72 56.881 56.881 60.427 -3.546 18905 7277 1 12 . 1 1 72 72 ILE CB C 72 37.031 37.031 41.729 -4.698 18905 7278 1 12 . 1 1 72 72 ILE H H 72 9.555 9.555 8.185 1.370 18905 7279 1 12 . 1 1 73 73 GLN N N 73 128.422 128.422 126.906 1.516 18905 7280 1 12 . 1 1 73 73 GLN HA H 73 5.170 5.170 4.331 0.839 18905 7281 1 12 . 1 1 73 73 GLN CA C 73 52.252 52.252 55.925 -3.673 18905 7282 1 12 . 1 1 73 73 GLN CB C 73 28.291 28.291 29.653 -1.362 18905 7283 1 12 . 1 1 73 73 GLN H H 73 8.964 8.964 8.516 0.448 18905 7284 1 12 . 1 1 74 74 LEU N N 74 126.707 126.707 123.093 3.614 18905 7285 1 12 . 1 1 74 74 LEU HA H 74 4.789 4.789 4.591 0.198 18905 7286 1 12 . 1 1 74 74 LEU CA C 74 50.617 50.617 53.401 -2.784 18905 7287 1 12 . 1 1 74 74 LEU CB C 74 44.885 44.885 46.296 -1.411 18905 7288 1 12 . 1 1 74 74 LEU H H 74 8.420 8.420 8.281 0.139 18905 7289 1 12 . 1 1 75 75 SER HA H 75 4.284 4.284 4.496 -0.212 18905 7290 1 12 . 1 1 75 75 SER CA C 75 55.390 55.390 59.165 -3.775 18905 7291 1 12 . 1 1 75 75 SER CB C 75 61.275 61.275 64.096 -2.821 18905 7292 1 12 . 1 1 76 76 THR N N 76 116.193 116.193 118.271 -2.078 18905 7293 1 12 . 1 1 76 76 THR HA H 76 3.994 3.994 4.113 -0.119 18905 7294 1 12 . 1 1 76 76 THR C C 76 174.630 174.630 176.275 -1.645 18905 7295 1 12 . 1 1 76 76 THR CA C 76 64.225 64.225 66.459 -2.234 18905 7296 1 12 . 1 1 76 76 THR CB C 76 66.003 66.003 68.923 -2.920 18905 7297 1 12 . 1 1 76 76 THR H H 76 8.614 8.614 8.619 -0.005 18905 7298 1 12 . 1 1 77 77 ILE N N 77 120.400 120.400 119.530 0.870 18905 7299 1 12 . 1 1 77 77 ILE HA H 77 3.911 3.911 3.806 0.105 18905 7300 1 12 . 1 1 77 77 ILE C C 77 175.577 175.577 177.328 -1.751 18905 7301 1 12 . 1 1 77 77 ILE CA C 77 61.264 61.264 64.639 -3.375 18905 7302 1 12 . 1 1 77 77 ILE CB C 77 35.379 35.379 37.742 -2.363 18905 7303 1 12 . 1 1 77 77 ILE H H 77 8.044 8.044 8.249 -0.205 18905 7304 1 12 . 1 1 78 78 GLU N N 78 120.562 120.562 119.104 1.458 18905 7305 1 12 . 1 1 78 78 GLU HA H 78 4.062 4.062 4.009 0.053 18905 7306 1 12 . 1 1 78 78 GLU C C 78 176.596 176.596 178.336 -1.740 18905 7307 1 12 . 1 1 78 78 GLU CA C 78 56.355 56.355 59.604 -3.249 18905 7308 1 12 . 1 1 78 78 GLU CB C 78 27.668 27.668 28.952 -1.284 18905 7309 1 12 . 1 1 78 78 GLU H H 78 7.548 7.548 7.959 -0.411 18905 7310 1 12 . 1 1 79 79 ALA N N 79 122.789 122.789 122.469 0.320 18905 7311 1 12 . 1 1 79 79 ALA HA H 79 3.923 3.923 4.120 -0.197 18905 7312 1 12 . 1 1 79 79 ALA C C 79 175.736 175.736 179.122 -3.386 18905 7313 1 12 . 1 1 79 79 ALA CA C 79 52.649 52.649 55.144 -2.495 18905 7314 1 12 . 1 1 79 79 ALA CB C 79 15.305 15.305 18.255 -2.950 18905 7315 1 12 . 1 1 79 79 ALA H H 79 9.279 9.279 8.346 0.933 18905 7316 1 12 . 1 1 80 80 ALA N N 80 118.643 118.643 118.531 0.112 18905 7317 1 12 . 1 1 80 80 ALA HA H 80 4.001 4.001 4.217 -0.216 18905 7318 1 12 . 1 1 80 80 ALA C C 80 177.943 177.943 177.825 0.118 18905 7319 1 12 . 1 1 80 80 ALA CA C 80 52.521 52.521 53.825 -1.304 18905 7320 1 12 . 1 1 80 80 ALA CB C 80 15.281 15.281 18.198 -2.917 18905 7321 1 12 . 1 1 80 80 ALA H H 80 7.688 7.688 7.785 -0.097 18905 7322 1 12 . 1 1 81 81 GLN N N 81 116.877 116.877 116.423 0.454 18905 7323 1 12 . 1 1 81 81 GLN HA H 81 4.015 4.015 4.381 -0.366 18905 7324 1 12 . 1 1 81 81 GLN CA C 81 55.760 55.760 56.216 -0.456 18905 7325 1 12 . 1 1 81 81 GLN CB C 81 25.786 25.786 29.804 -4.018 18905 7326 1 12 . 1 1 81 81 GLN H H 81 7.593 7.593 7.421 0.172 18905 7327 1 12 . 1 1 82 82 LEU N N 82 119.946 119.946 123.009 -3.063 18905 7328 1 12 . 1 1 82 82 LEU HA H 82 4.121 4.121 3.947 0.174 18905 7329 1 12 . 1 1 82 82 LEU C C 82 175.358 175.358 178.670 -3.312 18905 7330 1 12 . 1 1 82 82 LEU CA C 82 54.781 54.781 58.159 -3.378 18905 7331 1 12 . 1 1 82 82 LEU CB C 82 38.240 38.240 41.886 -3.646 18905 7332 1 12 . 1 1 82 82 LEU H H 82 8.258 8.258 8.459 -0.201 18905 7333 1 12 . 1 1 83 83 LEU N N 83 119.288 119.288 118.821 0.467 18905 7334 1 12 . 1 1 83 83 LEU HA H 83 3.585 3.585 3.886 -0.301 18905 7335 1 12 . 1 1 83 83 LEU C C 83 175.365 175.365 178.282 -2.917 18905 7336 1 12 . 1 1 83 83 LEU CA C 83 56.142 56.142 57.814 -1.672 18905 7337 1 12 . 1 1 83 83 LEU CB C 83 38.875 38.875 41.635 -2.760 18905 7338 1 12 . 1 1 83 83 LEU H H 83 8.407 8.407 7.593 0.814 18905 7339 1 12 . 1 1 84 84 GLN N N 84 115.391 115.391 117.963 -2.572 18905 7340 1 12 . 1 1 84 84 GLN HA H 84 3.878 3.878 3.992 -0.114 18905 7341 1 12 . 1 1 84 84 GLN C C 84 176.472 176.472 178.884 -2.412 18905 7342 1 12 . 1 1 84 84 GLN CA C 84 56.142 56.142 58.935 -2.793 18905 7343 1 12 . 1 1 84 84 GLN CB C 84 25.733 25.733 28.726 -2.993 18905 7344 1 12 . 1 1 84 84 GLN H H 84 7.347 7.347 7.424 -0.077 18905 7345 1 12 . 1 1 85 85 ILE N N 85 119.593 119.593 121.619 -2.026 18905 7346 1 12 . 1 1 85 85 ILE HA H 85 3.607 3.607 3.560 0.047 18905 7347 1 12 . 1 1 85 85 ILE CA C 85 61.779 61.779 64.723 -2.944 18905 7348 1 12 . 1 1 85 85 ILE CB C 85 35.948 35.948 37.749 -1.801 18905 7349 1 12 . 1 1 85 85 ILE H H 85 7.650 7.650 7.404 0.246 18905 7350 1 12 . 1 1 86 86 LEU N N 86 116.537 116.537 118.906 -2.369 18905 7351 1 12 . 1 1 86 86 LEU HA H 86 3.757 3.757 3.982 -0.225 18905 7352 1 12 . 1 1 86 86 LEU C C 86 177.610 177.610 178.733 -1.123 18905 7353 1 12 . 1 1 86 86 LEU CA C 86 54.521 54.521 57.723 -3.202 18905 7354 1 12 . 1 1 86 86 LEU CB C 86 39.226 39.226 41.398 -2.171 18905 7355 1 12 . 1 1 86 86 LEU H H 86 8.410 8.410 8.396 0.014 18905 7356 1 12 . 1 1 87 87 GLN N N 87 115.959 115.959 117.614 -1.655 18905 7357 1 12 . 1 1 87 87 GLN HA H 87 4.009 4.009 4.047 -0.038 18905 7358 1 12 . 1 1 87 87 GLN C C 87 174.156 174.156 176.563 -2.407 18905 7359 1 12 . 1 1 87 87 GLN CA C 87 55.735 55.735 57.617 -1.882 18905 7360 1 12 . 1 1 87 87 GLN CB C 87 25.516 25.516 28.185 -2.669 18905 7361 1 12 . 1 1 87 87 GLN H H 87 8.406 8.406 7.632 0.774 18905 7362 1 12 . 1 1 88 88 ALA N N 88 120.044 120.044 120.935 -0.891 18905 7363 1 12 . 1 1 88 88 ALA HA H 88 4.338 4.338 4.414 -0.076 18905 7364 1 12 . 1 1 88 88 ALA C C 88 174.373 174.373 176.263 -1.890 18905 7365 1 12 . 1 1 88 88 ALA CA C 88 48.933 48.933 52.086 -3.153 18905 7366 1 12 . 1 1 88 88 ALA CB C 88 16.681 16.681 20.223 -3.542 18905 7367 1 12 . 1 1 88 88 ALA H H 88 7.110 7.110 7.523 -0.413 18905 7368 1 12 . 1 1 89 89 LEU N N 89 119.696 119.696 115.478 4.218 18905 7369 1 12 . 1 1 89 89 LEU HA H 89 3.929 3.929 4.839 -0.910 18905 7370 1 12 . 1 1 89 89 LEU C C 89 175.387 175.387 174.470 0.917 18905 7371 1 12 . 1 1 89 89 LEU CA C 89 53.364 53.364 54.774 -1.410 18905 7372 1 12 . 1 1 89 89 LEU CB C 89 39.775 39.775 44.181 -4.406 18905 7373 1 12 . 1 1 89 89 LEU H H 89 6.693 6.693 7.425 -0.732 18905 7374 1 12 . 1 1 90 90 HIS N N 90 120.136 120.136 116.886 3.250 18905 7375 1 12 . 1 1 90 90 HIS HA H 90 4.419 4.419 4.966 -0.547 18905 7376 1 12 . 1 1 90 90 HIS CA C 90 50.226 50.226 54.190 -3.964 18905 7377 1 12 . 1 1 90 90 HIS CB C 90 27.853 27.853 31.904 -4.051 18905 7378 1 12 . 1 1 90 90 HIS H H 90 8.299 8.299 8.406 -0.107 18905 7379 1 12 . 1 1 91 91 PRO HA H 91 4.367 4.367 4.846 -0.479 18905 7380 1 12 . 1 1 91 91 PRO CA C 91 60.550 60.550 61.661 -1.111 18905 7381 1 12 . 1 1 91 91 PRO CB C 91 29.416 29.416 31.794 -2.378 18905 7382 1 12 . 1 1 92 92 PRO HA H 92 4.815 4.815 4.444 0.371 18905 7383 1 12 . 1 1 92 92 PRO CA C 92 59.812 59.812 63.639 -3.827 18905 7384 1 12 . 1 1 92 92 PRO CB C 92 30.119 30.119 32.170 -2.051 18905 7385 1 12 . 1 1 93 93 LEU N N 93 121.469 121.469 121.477 -0.008 18905 7386 1 12 . 1 1 93 93 LEU HA H 93 3.954 3.954 4.565 -0.611 18905 7387 1 12 . 1 1 93 93 LEU CA C 93 53.500 53.500 54.808 -1.308 18905 7388 1 12 . 1 1 93 93 LEU CB C 93 39.889 39.889 43.510 -3.620 18905 7389 1 12 . 1 1 93 93 LEU H H 93 8.404 8.404 7.568 0.836 18905 7390 1 12 . 1 1 94 94 THR HA H 94 5.276 5.276 4.557 0.719 18905 7391 1 12 . 1 1 94 94 THR CA C 94 57.077 57.077 61.460 -4.383 18905 7392 1 12 . 1 1 94 94 THR CB C 94 69.076 69.076 68.774 0.302 18905 7393 1 12 . 1 1 95 95 ILE N N 95 121.239 121.239 124.890 -3.651 18905 7394 1 12 . 1 1 95 95 ILE HA H 95 4.184 4.184 4.046 0.138 18905 7395 1 12 . 1 1 95 95 ILE CA C 95 58.054 58.054 62.695 -4.641 18905 7396 1 12 . 1 1 95 95 ILE CB C 95 37.534 37.534 38.653 -1.119 18905 7397 1 12 . 1 1 95 95 ILE H H 95 8.317 8.317 8.406 -0.089 18905 7398 1 12 . 1 1 96 96 ASP N N 96 130.909 130.909 125.688 5.221 18905 7399 1 12 . 1 1 96 96 ASP HA H 96 4.292 4.292 4.365 -0.073 18905 7400 1 12 . 1 1 96 96 ASP CA C 96 53.001 53.001 55.171 -2.170 18905 7401 1 12 . 1 1 96 96 ASP CB C 96 37.114 37.114 39.117 -2.003 18905 7402 1 12 . 1 1 96 96 ASP H H 96 9.837 9.837 8.951 0.886 18905 7403 1 12 . 1 1 97 97 GLY N N 97 102.578 102.578 103.465 -0.887 18905 7404 1 12 . 1 1 97 97 GLY C C 97 170.992 170.992 174.910 -3.918 18905 7405 1 12 . 1 1 97 97 GLY CA C 97 42.754 42.754 45.571 -2.817 18905 7406 1 12 . 1 1 97 97 GLY H H 97 8.638 8.638 7.829 0.809 18905 7407 1 12 . 1 1 98 98 LYS N N 98 120.330 120.330 122.265 -1.935 18905 7408 1 12 . 1 1 98 98 LYS HA H 98 4.629 4.629 4.300 0.329 18905 7409 1 12 . 1 1 98 98 LYS C C 98 172.675 172.675 176.116 -3.441 18905 7410 1 12 . 1 1 98 98 LYS CA C 98 50.304 50.304 55.152 -4.848 18905 7411 1 12 . 1 1 98 98 LYS CB C 98 31.136 31.136 30.399 0.737 18905 7412 1 12 . 1 1 98 98 LYS H H 98 7.440 7.440 8.050 -0.610 18905 7413 1 12 . 1 1 99 99 THR N N 99 119.612 119.612 114.964 4.648 18905 7414 1 12 . 1 1 99 99 THR HA H 99 4.356 4.356 4.312 0.044 18905 7415 1 12 . 1 1 99 99 THR C C 99 171.511 171.511 173.907 -2.396 18905 7416 1 12 . 1 1 99 99 THR CA C 99 60.382 60.382 61.177 -0.795 18905 7417 1 12 . 1 1 99 99 THR CB C 99 65.967 65.967 69.450 -3.483 18905 7418 1 12 . 1 1 99 99 THR H H 99 8.626 8.626 7.899 0.727 18905 7419 1 12 . 1 1 100 100 ILE N N 100 129.389 129.389 124.448 4.941 18905 7420 1 12 . 1 1 100 100 ILE HA H 100 4.358 4.358 4.301 0.057 18905 7421 1 12 . 1 1 100 100 ILE C C 100 172.710 172.710 176.156 -3.446 18905 7422 1 12 . 1 1 100 100 ILE CA C 100 55.202 55.202 59.691 -4.489 18905 7423 1 12 . 1 1 100 100 ILE CB C 100 34.925 34.925 36.745 -1.820 18905 7424 1 12 . 1 1 100 100 ILE H H 100 8.463 8.463 8.468 -0.005 18905 7425 1 12 . 1 1 101 101 ASN N N 101 123.767 123.767 126.531 -2.764 18905 7426 1 12 . 1 1 101 101 ASN HA H 101 4.904 4.904 4.839 0.065 18905 7427 1 12 . 1 1 101 101 ASN C C 101 170.860 170.860 174.339 -3.479 18905 7428 1 12 . 1 1 101 101 ASN CA C 101 49.884 49.884 53.030 -3.146 18905 7429 1 12 . 1 1 101 101 ASN CB C 101 38.364 38.364 40.065 -1.700 18905 7430 1 12 . 1 1 101 101 ASN H H 101 7.878 7.878 8.707 -0.829 18905 7431 1 12 . 1 1 102 102 VAL N N 102 122.207 122.207 121.645 0.562 18905 7432 1 12 . 1 1 102 102 VAL HA H 102 4.933 4.933 4.197 0.736 18905 7433 1 12 . 1 1 102 102 VAL C C 102 175.222 175.222 175.304 -0.082 18905 7434 1 12 . 1 1 102 102 VAL CA C 102 57.981 57.981 62.336 -4.355 18905 7435 1 12 . 1 1 102 102 VAL CB C 102 31.183 31.183 31.824 -0.641 18905 7436 1 12 . 1 1 102 102 VAL H H 102 8.503 8.503 8.386 0.117 18905 7437 1 12 . 1 1 103 103 GLU N N 103 124.079 124.079 128.404 -4.325 18905 7438 1 12 . 1 1 103 103 GLU HA H 103 4.557 4.557 4.620 -0.063 18905 7439 1 12 . 1 1 103 103 GLU CA C 103 51.772 51.772 55.608 -3.836 18905 7440 1 12 . 1 1 103 103 GLU CB C 103 31.226 31.226 33.908 -2.682 18905 7441 1 12 . 1 1 103 103 GLU H H 103 8.627 8.627 8.541 0.086 18905 7442 1 12 . 1 1 104 104 PHE N N 104 121.287 121.287 116.786 4.501 18905 7443 1 12 . 1 1 104 104 PHE HA H 104 5.047 5.047 4.891 0.156 18905 7444 1 12 . 1 1 104 104 PHE C C 104 173.023 173.023 173.652 -0.629 18905 7445 1 12 . 1 1 104 104 PHE CA C 104 55.305 55.305 54.600 0.705 18905 7446 1 12 . 1 1 104 104 PHE CB C 104 38.342 38.342 41.627 -3.285 18905 7447 1 12 . 1 1 104 104 PHE H H 104 8.778 8.778 8.562 0.216 18905 7448 1 12 . 1 1 105 105 ALA N N 105 127.703 127.703 120.638 7.065 18905 7449 1 12 . 1 1 105 105 ALA HA H 105 4.278 4.278 4.361 -0.083 18905 7450 1 12 . 1 1 105 105 ALA C C 105 172.939 172.939 175.513 -2.574 18905 7451 1 12 . 1 1 105 105 ALA CA C 105 48.936 48.936 51.936 -3.000 18905 7452 1 12 . 1 1 105 105 ALA CB C 105 17.822 17.822 19.625 -1.803 18905 7453 1 12 . 1 1 105 105 ALA H H 105 8.630 8.630 8.147 0.483 18905 7454 1 12 . 1 1 106 106 LYS N N 106 121.259 121.259 118.680 2.579 18905 7455 1 12 . 1 1 106 106 LYS HA H 106 4.211 4.211 4.391 -0.180 18905 7456 1 12 . 1 1 106 106 LYS C C 106 174.939 174.939 176.469 -1.530 18905 7457 1 12 . 1 1 106 106 LYS CA C 106 52.995 52.995 55.534 -2.539 18905 7458 1 12 . 1 1 106 106 LYS CB C 106 30.290 30.290 32.656 -2.366 18905 7459 1 12 . 1 1 106 106 LYS H H 106 8.289 8.289 6.926 1.363 18905 7460 1 12 . 1 1 107 107 GLY N N 107 111.965 111.965 107.183 4.782 18905 7461 1 12 . 1 1 107 107 GLY C C 107 171.215 171.215 173.610 -2.395 18905 7462 1 12 . 1 1 107 107 GLY CA C 107 42.651 42.651 45.092 -2.441 18905 7463 1 12 . 1 1 107 107 GLY H H 107 8.921 8.921 8.646 0.275 18905 7464 1 12 . 1 1 108 108 SER N N 108 114.479 114.479 114.798 -0.319 18905 7465 1 12 . 1 1 108 108 SER HA H 108 4.294 4.294 4.602 -0.308 18905 7466 1 12 . 1 1 108 108 SER C C 108 172.040 172.040 174.141 -2.101 18905 7467 1 12 . 1 1 108 108 SER CA C 108 55.336 55.336 57.566 -2.230 18905 7468 1 12 . 1 1 108 108 SER H H 108 8.197 8.197 7.381 0.816 18905 7469 1 12 . 1 1 109 109 LYS N N 109 123.374 123.374 120.766 2.608 18905 7470 1 12 . 1 1 109 109 LYS HA H 109 4.198 4.198 4.398 -0.200 18905 7471 1 12 . 1 1 109 109 LYS C C 109 173.967 173.967 174.915 -0.948 18905 7472 1 12 . 1 1 109 109 LYS CA C 109 53.730 53.730 56.698 -2.968 18905 7473 1 12 . 1 1 109 109 LYS CB C 109 30.137 30.137 33.314 -3.177 18905 7474 1 12 . 1 1 109 109 LYS H H 109 8.306 8.306 8.581 -0.275 18905 7475 1 12 . 1 1 110 110 ARG N N 110 134.189 134.189 122.136 12.053 18905 7476 1 12 . 1 1 110 110 ARG HA H 110 4.542 4.542 4.577 -0.035 18905 7477 1 12 . 1 1 110 110 ARG C C 110 173.119 173.119 173.737 -0.618 18905 7478 1 12 . 1 1 110 110 ARG CA C 110 52.474 52.474 55.316 -2.842 18905 7479 1 12 . 1 1 110 110 ARG CB C 110 32.296 32.296 32.661 -0.365 18905 7480 1 12 . 1 1 111 111 ASP N N 111 123.210 123.210 120.326 2.884 18905 7481 1 12 . 1 1 111 111 ASP HA H 111 4.519 4.519 4.800 -0.281 18905 7482 1 12 . 1 1 111 111 ASP C C 111 174.187 174.187 175.674 -1.487 18905 7483 1 12 . 1 1 111 111 ASP CA C 111 52.307 52.307 54.802 -2.495 18905 7484 1 12 . 1 1 111 111 ASP CB C 111 40.206 40.206 41.050 -0.843 18905 7485 1 12 . 1 1 111 111 ASP H H 111 8.523 8.523 8.664 -0.141 18905 7486 1 12 . 1 1 112 112 MET HA H 112 4.330 4.330 4.705 -0.376 18905 7487 1 12 . 1 1 112 112 MET CA C 112 53.074 53.074 55.897 -2.823 18905 7488 1 12 . 1 1 112 112 MET CB C 112 30.057 30.057 32.560 -2.503 18905 7489 1 12 . 1 1 113 113 ALA N N 113 124.061 124.061 122.950 1.111 18905 7490 1 12 . 1 1 113 113 ALA HA H 113 4.229 4.229 4.691 -0.462 18905 7491 1 12 . 1 1 113 113 ALA C C 113 175.243 175.243 175.736 -0.493 18905 7492 1 12 . 1 1 113 113 ALA CA C 113 49.967 49.967 52.037 -2.070 18905 7493 1 12 . 1 1 113 113 ALA CB C 113 16.436 16.436 20.619 -4.183 18905 7494 1 12 . 1 1 113 113 ALA H H 113 8.214 8.214 8.045 0.169 18905 7495 1 12 . 1 1 114 114 SER N N 114 114.286 114.286 114.089 0.197 18905 7496 1 12 . 1 1 114 114 SER HA H 114 4.376 4.376 4.708 -0.332 18905 7497 1 12 . 1 1 114 114 SER CA C 114 55.596 55.596 57.549 -1.953 18905 7498 1 12 . 1 1 114 114 SER CB C 114 61.009 61.009 64.532 -3.523 18905 7499 1 12 . 1 1 114 114 SER H H 114 8.124 8.124 8.272 -0.148 18905 7500 1 12 . 1 1 119 119 ARG N N 119 122.813 122.813 121.748 1.065 18905 7501 1 12 . 1 1 119 119 ARG HA H 119 4.294 4.294 4.681 -0.387 18905 7502 1 12 . 1 1 119 119 ARG C C 119 173.654 173.654 174.321 -0.667 18905 7503 1 12 . 1 1 119 119 ARG CA C 119 53.701 53.701 55.786 -2.085 18905 7504 1 12 . 1 1 119 119 ARG CB C 119 28.140 28.140 29.699 -1.559 18905 7505 1 12 . 1 1 119 119 ARG H H 119 8.246 8.246 8.156 0.090 18905 7506 1 12 . 1 1 120 120 ILE N N 120 121.624 121.624 120.637 0.987 18905 7507 1 12 . 1 1 120 120 ILE HA H 120 4.099 4.099 4.662 -0.563 18905 7508 1 12 . 1 1 120 120 ILE C C 120 173.651 173.651 175.250 -1.599 18905 7509 1 12 . 1 1 120 120 ILE CA C 120 58.593 58.593 59.531 -0.938 18905 7510 1 12 . 1 1 120 120 ILE CB C 120 36.091 36.091 39.593 -3.502 18905 7511 1 12 . 1 1 120 120 ILE H H 120 8.084 8.084 8.121 -0.037 18905 7512 1 12 . 1 1 121 121 SER N N 121 119.953 119.953 117.599 2.354 18905 7513 1 12 . 1 1 121 121 SER HA H 121 4.378 4.378 4.733 -0.355 18905 7514 1 12 . 1 1 121 121 SER C C 121 170.780 170.780 173.221 -2.441 18905 7515 1 12 . 1 1 121 121 SER CA C 121 55.506 55.506 58.229 -2.723 18905 7516 1 12 . 1 1 121 121 SER CB C 121 61.571 61.571 63.712 -2.140 18905 7517 1 12 . 1 1 121 121 SER H H 121 8.300 8.300 8.742 -0.442 18905 7518 1 12 . 1 1 123 123 ALA N N 123 119.892 119.892 123.284 -3.392 18905 7519 1 12 . 1 1 123 123 ALA HA H 123 4.102 4.102 4.244 -0.142 18905 7520 1 12 . 1 1 123 123 ALA CA C 123 58.473 58.473 53.152 5.321 18905 7521 1 12 . 1 1 123 123 ALA H H 123 8.305 8.305 8.722 -0.417 18905 7522 1 12 . 1 1 124 124 SER N N 124 122.264 122.264 113.644 8.620 18905 7523 1 12 . 1 1 124 124 SER HA H 124 4.384 4.384 4.867 -0.483 18905 7524 1 12 . 1 1 124 124 SER CA C 124 55.632 55.632 57.998 -2.366 18905 7525 1 12 . 1 1 124 124 SER CB C 124 60.925 60.925 65.264 -4.339 18905 7526 1 12 . 1 1 124 124 SER H H 124 8.353 8.353 8.273 0.080 18905 7527 1 12 . 1 1 125 125 VAL N N 125 121.433 121.433 120.813 0.620 18905 7528 1 12 . 1 1 125 125 VAL HA H 125 4.073 4.073 4.379 -0.306 18905 7529 1 12 . 1 1 125 125 VAL C C 125 173.240 173.240 174.673 -1.433 18905 7530 1 12 . 1 1 125 125 VAL CA C 125 59.588 59.588 61.928 -2.340 18905 7531 1 12 . 1 1 125 125 VAL CB C 125 30.198 30.198 34.356 -4.158 18905 7532 1 12 . 1 1 125 125 VAL H H 125 8.014 8.014 8.236 -0.222 18905 7533 1 12 . 1 1 126 126 ALA N N 126 127.185 127.185 127.695 -0.510 18905 7534 1 12 . 1 1 126 126 ALA HA H 126 4.278 4.278 5.037 -0.759 18905 7535 1 12 . 1 1 126 126 ALA C C 126 175.118 175.118 176.216 -1.098 18905 7536 1 12 . 1 1 126 126 ALA CA C 126 49.919 49.919 51.722 -1.803 18905 7537 1 12 . 1 1 126 126 ALA CB C 126 16.532 16.532 21.049 -4.517 18905 7538 1 12 . 1 1 126 126 ALA H H 126 8.277 8.277 8.512 -0.235 18905 7539 1 12 . 1 1 127 127 SER N N 127 115.148 115.148 117.181 -2.033 18905 7540 1 12 . 1 1 127 127 SER HA H 127 4.420 4.420 4.566 -0.146 18905 7541 1 12 . 1 1 127 127 SER C C 127 172.168 172.168 174.356 -2.188 18905 7542 1 12 . 1 1 127 127 SER CA C 127 55.770 55.770 58.262 -2.492 18905 7543 1 12 . 1 1 127 127 SER CB C 127 58.992 58.992 63.486 -4.494 18905 7544 1 12 . 1 1 127 127 SER H H 127 8.249 8.249 9.018 -0.769 18905 7545 1 12 . 1 1 128 128 THR N N 128 115.498 115.498 114.535 0.963 18905 7546 1 12 . 1 1 128 128 THR C C 128 171.392 171.392 174.137 -2.745 18905 7547 1 12 . 1 1 128 128 THR CA C 128 59.083 59.083 61.961 -2.878 18905 7548 1 12 . 1 1 128 128 THR H H 128 8.050 8.050 7.998 0.052 18905 7549 1 12 . 1 1 129 129 ALA N N 129 126.543 126.543 122.954 3.589 18905 7550 1 12 . 1 1 129 129 ALA HA H 129 4.236 4.236 5.060 -0.824 18905 7551 1 12 . 1 1 129 129 ALA C C 129 174.650 174.650 175.944 -1.294 18905 7552 1 12 . 1 1 129 129 ALA CA C 129 49.794 49.794 51.293 -1.499 18905 7553 1 12 . 1 1 129 129 ALA CB C 129 16.538 16.538 20.477 -3.939 18905 7554 1 12 . 1 1 129 129 ALA H H 129 8.160 8.160 8.657 -0.497 18905 7555 1 12 . 1 1 130 130 ILE N N 130 120.371 120.371 119.118 1.253 18905 7556 1 12 . 1 1 130 130 ILE HA H 130 4.099 4.099 4.925 -0.826 18905 7557 1 12 . 1 1 130 130 ILE C C 130 173.651 173.651 176.336 -2.685 18905 7558 1 12 . 1 1 130 130 ILE CA C 130 58.513 58.513 61.101 -2.588 18905 7559 1 12 . 1 1 130 130 ILE CB C 130 36.091 36.091 40.450 -4.359 18905 7560 1 12 . 1 1 130 130 ILE H H 130 8.043 8.043 8.898 -0.855 18905 7561 1 13 . 1 1 4 4 GLY N N 4 110.117 110.117 107.904 2.213 18905 7562 1 13 . 1 1 4 4 GLY C C 4 171.413 171.413 174.019 -2.606 18905 7563 1 13 . 1 1 4 4 GLY CA C 4 42.667 42.667 44.947 -2.280 18905 7564 1 13 . 1 1 4 4 GLY H H 4 8.391 8.391 8.079 0.312 18905 7565 1 13 . 1 1 5 5 VAL N N 5 119.501 119.501 117.600 1.901 18905 7566 1 13 . 1 1 5 5 VAL HA H 5 4.018 4.018 4.354 -0.336 18905 7567 1 13 . 1 1 5 5 VAL C C 5 173.738 173.738 174.839 -1.101 18905 7568 1 13 . 1 1 5 5 VAL CA C 5 59.923 59.923 63.053 -3.130 18905 7569 1 13 . 1 1 5 5 VAL CB C 5 30.111 30.111 32.989 -2.878 18905 7570 1 13 . 1 1 5 5 VAL H H 5 7.951 7.951 8.193 -0.242 18905 7571 1 13 . 1 1 6 6 LEU N N 6 125.484 125.484 124.687 0.797 18905 7572 1 13 . 1 1 6 6 LEU HA H 6 4.280 4.280 5.123 -0.843 18905 7573 1 13 . 1 1 6 6 LEU C C 6 174.708 174.708 175.908 -1.200 18905 7574 1 13 . 1 1 6 6 LEU CA C 6 52.535 52.535 54.962 -2.427 18905 7575 1 13 . 1 1 6 6 LEU CB C 6 39.586 39.586 44.119 -4.533 18905 7576 1 13 . 1 1 6 6 LEU H H 6 8.248 8.248 8.964 -0.716 18905 7577 1 13 . 1 1 7 7 ALA N N 7 124.939 124.939 126.670 -1.731 18905 7578 1 13 . 1 1 7 7 ALA HA H 7 4.234 4.234 5.295 -1.061 18905 7579 1 13 . 1 1 7 7 ALA C C 7 174.865 174.865 175.745 -0.880 18905 7580 1 13 . 1 1 7 7 ALA CA C 7 50.136 50.136 51.734 -1.598 18905 7581 1 13 . 1 1 7 7 ALA CB C 7 16.500 16.500 21.428 -4.928 18905 7582 1 13 . 1 1 7 7 ALA H H 7 8.241 8.241 8.825 -0.584 18905 7583 1 13 . 1 1 8 8 SER N N 8 117.901 117.901 115.560 2.341 18905 7584 1 13 . 1 1 8 8 SER HA H 8 4.377 4.377 5.002 -0.625 18905 7585 1 13 . 1 1 8 8 SER C C 8 172.221 172.221 172.464 -0.243 18905 7586 1 13 . 1 1 8 8 SER CA C 8 56.008 56.008 57.642 -1.634 18905 7587 1 13 . 1 1 8 8 SER CB C 8 61.008 61.008 64.920 -3.912 18905 7588 1 13 . 1 1 8 8 SER H H 8 8.347 8.347 8.511 -0.164 18905 7589 1 13 . 1 1 9 9 GLN N N 9 122.019 122.019 120.593 1.426 18905 7590 1 13 . 1 1 9 9 GLN HA H 9 4.302 4.302 4.518 -0.216 18905 7591 1 13 . 1 1 9 9 GLN C C 9 173.160 173.160 173.646 -0.486 18905 7592 1 13 . 1 1 9 9 GLN CA C 9 53.470 53.470 57.408 -3.938 18905 7593 1 13 . 1 1 9 9 GLN CB C 9 26.663 26.663 30.047 -3.384 18905 7594 1 13 . 1 1 9 9 GLN H H 9 8.240 8.240 8.681 -0.441 18905 7595 1 13 . 1 1 10 10 ALA N N 10 124.490 124.490 125.828 -1.338 18905 7596 1 13 . 1 1 10 10 ALA HA H 10 4.238 4.238 4.555 -0.317 18905 7597 1 13 . 1 1 10 10 ALA C C 10 175.142 175.142 176.278 -1.136 18905 7598 1 13 . 1 1 10 10 ALA CA C 10 50.121 50.121 52.750 -2.629 18905 7599 1 13 . 1 1 10 10 ALA CB C 10 16.322 16.322 20.074 -3.752 18905 7600 1 13 . 1 1 10 10 ALA H H 10 8.132 8.132 8.370 -0.238 18905 7601 1 13 . 1 1 11 11 LEU N N 11 120.785 120.785 118.578 2.207 18905 7602 1 13 . 1 1 11 11 LEU HA H 11 4.278 4.278 4.743 -0.465 18905 7603 1 13 . 1 1 11 11 LEU C C 11 174.929 174.929 176.343 -1.414 18905 7604 1 13 . 1 1 11 11 LEU CA C 11 52.612 52.612 54.476 -1.864 18905 7605 1 13 . 1 1 11 11 LEU CB C 11 39.647 39.647 41.766 -2.119 18905 7606 1 13 . 1 1 11 11 LEU H H 11 8.088 8.088 8.083 0.005 18905 7607 1 13 . 1 1 12 12 SER N N 12 116.121 116.121 117.427 -1.306 18905 7608 1 13 . 1 1 12 12 SER C C 12 171.977 171.977 174.490 -2.513 18905 7609 1 13 . 1 1 12 12 SER CA C 12 55.621 55.621 58.039 -2.418 18905 7610 1 13 . 1 1 12 12 SER CB C 12 56.041 56.041 63.006 -6.965 18905 7611 1 13 . 1 1 12 12 SER H H 12 8.170 8.170 7.921 0.249 18905 7612 1 13 . 1 1 13 13 GLN N N 13 122.139 122.139 124.935 -2.796 18905 7613 1 13 . 1 1 13 13 GLN HA H 13 4.312 4.312 4.566 -0.254 18905 7614 1 13 . 1 1 13 13 GLN CA C 13 54.059 54.059 56.234 -2.175 18905 7615 1 13 . 1 1 13 13 GLN H H 13 8.368 8.368 8.701 -0.333 18905 7616 1 13 . 1 1 14 14 GLY N N 14 109.259 109.259 112.673 -3.414 18905 7617 1 13 . 1 1 14 14 GLY CA C 14 42.970 42.970 44.955 -1.985 18905 7618 1 13 . 1 1 14 14 GLY H H 14 8.378 8.378 8.384 -0.006 18905 7619 1 13 . 1 1 15 15 SER N N 15 115.486 115.486 116.648 -1.162 18905 7620 1 13 . 1 1 15 15 SER HA H 15 4.378 4.378 4.782 -0.404 18905 7621 1 13 . 1 1 15 15 SER CA C 15 55.853 55.853 57.587 -1.734 18905 7622 1 13 . 1 1 15 15 SER CB C 15 59.406 59.406 65.057 -5.651 18905 7623 1 13 . 1 1 15 15 SER H H 15 8.085 8.085 8.296 -0.211 18905 7624 1 13 . 1 1 16 16 GLU N N 16 120.501 120.501 123.368 -2.867 18905 7625 1 13 . 1 1 16 16 GLU HA H 16 4.664 4.664 4.705 -0.041 18905 7626 1 13 . 1 1 16 16 GLU CA C 16 50.628 50.628 55.236 -4.607 18905 7627 1 13 . 1 1 16 16 GLU CB C 16 36.442 36.442 29.987 6.455 18905 7628 1 13 . 1 1 16 16 GLU H H 16 8.376 8.376 8.625 -0.249 18905 7629 1 13 . 1 1 17 17 PRO CA C 17 65.700 65.700 62.994 2.706 18905 7630 1 13 . 1 1 22 22 ALA N N 22 124.130 124.130 121.734 2.396 18905 7631 1 13 . 1 1 22 22 ALA HA H 22 4.178 4.178 4.536 -0.358 18905 7632 1 13 . 1 1 22 22 ALA CA C 22 49.746 49.746 51.416 -1.670 18905 7633 1 13 . 1 1 22 22 ALA CB C 22 16.789 16.789 21.986 -5.197 18905 7634 1 13 . 1 1 22 22 ALA H H 22 8.096 8.096 8.290 -0.194 18905 7635 1 13 . 1 1 23 23 ASN N N 23 117.516 117.516 118.607 -1.091 18905 7636 1 13 . 1 1 23 23 ASN HA H 23 4.672 4.672 4.945 -0.273 18905 7637 1 13 . 1 1 23 23 ASN C C 23 171.179 171.179 172.934 -1.755 18905 7638 1 13 . 1 1 23 23 ASN CA C 23 50.084 50.084 53.085 -3.001 18905 7639 1 13 . 1 1 23 23 ASN CB C 23 36.737 36.737 41.596 -4.859 18905 7640 1 13 . 1 1 23 23 ASN H H 23 8.037 8.037 8.371 -0.334 18905 7641 1 13 . 1 1 24 24 ASP N N 24 118.387 118.387 123.676 -5.289 18905 7642 1 13 . 1 1 24 24 ASP HA H 24 4.676 4.676 5.086 -0.410 18905 7643 1 13 . 1 1 24 24 ASP CA C 24 50.660 50.660 53.712 -3.052 18905 7644 1 13 . 1 1 24 24 ASP CB C 24 40.670 40.670 45.383 -4.713 18905 7645 1 13 . 1 1 24 24 ASP H H 24 8.198 8.198 8.703 -0.505 18905 7646 1 13 . 1 1 25 25 THR N N 25 114.224 114.224 117.124 -2.900 18905 7647 1 13 . 1 1 25 25 THR HA H 25 5.275 5.275 4.833 0.442 18905 7648 1 13 . 1 1 25 25 THR CA C 25 59.162 59.162 61.790 -2.628 18905 7649 1 13 . 1 1 25 25 THR CB C 25 68.849 68.849 71.110 -2.261 18905 7650 1 13 . 1 1 25 25 THR H H 25 8.090 8.090 8.424 -0.334 18905 7651 1 13 . 1 1 26 26 ILE N N 26 126.637 126.637 127.013 -0.376 18905 7652 1 13 . 1 1 26 26 ILE HA H 26 4.650 4.650 4.493 0.157 18905 7653 1 13 . 1 1 26 26 ILE C C 26 171.500 171.500 174.180 -2.680 18905 7654 1 13 . 1 1 26 26 ILE CA C 26 56.930 56.930 59.644 -2.714 18905 7655 1 13 . 1 1 26 26 ILE CB C 26 38.159 38.159 38.865 -0.706 18905 7656 1 13 . 1 1 26 26 ILE H H 26 9.314 9.314 8.455 0.859 18905 7657 1 13 . 1 1 27 27 ILE N N 27 126.764 126.764 126.774 -0.010 18905 7658 1 13 . 1 1 27 27 ILE HA H 27 4.955 4.955 4.727 0.228 18905 7659 1 13 . 1 1 27 27 ILE C C 27 171.462 171.462 174.150 -2.688 18905 7660 1 13 . 1 1 27 27 ILE CA C 27 56.909 56.909 59.414 -2.505 18905 7661 1 13 . 1 1 27 27 ILE CB C 27 38.397 38.397 41.615 -3.218 18905 7662 1 13 . 1 1 27 27 ILE H H 27 9.280 9.280 7.886 1.394 18905 7663 1 13 . 1 1 28 28 LEU N N 28 125.666 125.666 127.737 -2.071 18905 7664 1 13 . 1 1 28 28 LEU HA H 28 4.858 4.858 4.601 0.257 18905 7665 1 13 . 1 1 28 28 LEU C C 28 172.714 172.714 176.629 -3.915 18905 7666 1 13 . 1 1 28 28 LEU CA C 28 50.153 50.153 53.791 -3.638 18905 7667 1 13 . 1 1 28 28 LEU CB C 28 39.943 39.943 42.581 -2.638 18905 7668 1 13 . 1 1 28 28 LEU H H 28 8.791 8.791 8.374 0.417 18905 7669 1 13 . 1 1 29 29 ARG N N 29 119.656 119.656 118.305 1.351 18905 7670 1 13 . 1 1 29 29 ARG HA H 29 5.023 5.023 4.886 0.137 18905 7671 1 13 . 1 1 29 29 ARG C C 29 172.927 172.927 175.794 -2.867 18905 7672 1 13 . 1 1 29 29 ARG CA C 29 51.933 51.933 54.700 -2.767 18905 7673 1 13 . 1 1 29 29 ARG CB C 29 31.298 31.298 33.777 -2.479 18905 7674 1 13 . 1 1 29 29 ARG H H 29 8.742 8.742 8.331 0.411 18905 7675 1 13 . 1 1 30 30 ASN N N 30 115.104 115.104 117.704 -2.600 18905 7676 1 13 . 1 1 30 30 ASN HA H 30 4.319 4.319 4.333 -0.014 18905 7677 1 13 . 1 1 30 30 ASN C C 30 172.025 172.025 173.702 -1.677 18905 7678 1 13 . 1 1 30 30 ASN CA C 30 51.550 51.550 53.984 -2.434 18905 7679 1 13 . 1 1 30 30 ASN CB C 30 35.656 35.656 37.508 -1.852 18905 7680 1 13 . 1 1 30 30 ASN H H 30 8.292 8.292 8.686 -0.394 18905 7681 1 13 . 1 1 31 31 LEU N N 31 113.394 113.394 119.488 -6.094 18905 7682 1 13 . 1 1 31 31 LEU HA H 31 3.915 3.915 4.579 -0.664 18905 7683 1 13 . 1 1 31 31 LEU C C 31 175.815 175.815 176.241 -0.426 18905 7684 1 13 . 1 1 31 31 LEU CA C 31 52.148 52.148 53.455 -1.307 18905 7685 1 13 . 1 1 31 31 LEU CB C 31 39.876 39.876 44.604 -4.728 18905 7686 1 13 . 1 1 31 31 LEU H H 31 7.602 7.602 7.418 0.184 18905 7687 1 13 . 1 1 32 32 ASN N N 32 123.357 123.357 122.080 1.277 18905 7688 1 13 . 1 1 32 32 ASN HA H 32 4.476 4.476 4.832 -0.356 18905 7689 1 13 . 1 1 32 32 ASN CA C 32 48.784 48.784 51.681 -2.897 18905 7690 1 13 . 1 1 32 32 ASN CB C 32 36.284 36.284 38.738 -2.454 18905 7691 1 13 . 1 1 32 32 ASN H H 32 9.816 9.816 7.949 1.867 18905 7692 1 13 . 1 1 33 33 PRO HA H 33 4.339 4.339 4.472 -0.133 18905 7693 1 13 . 1 1 33 33 PRO CA C 33 61.514 61.514 64.958 -3.444 18905 7694 1 13 . 1 1 33 33 PRO CB C 33 30.320 30.320 31.922 -1.602 18905 7695 1 13 . 1 1 34 34 HIS N N 34 111.187 111.187 113.804 -2.617 18905 7696 1 13 . 1 1 34 34 HIS HA H 34 4.402 4.402 4.793 -0.391 18905 7697 1 13 . 1 1 34 34 HIS CA C 34 53.125 53.125 54.133 -1.008 18905 7698 1 13 . 1 1 34 34 HIS CB C 34 25.760 25.760 29.812 -4.052 18905 7699 1 13 . 1 1 34 34 HIS H H 34 8.856 8.856 8.316 0.540 18905 7700 1 13 . 1 1 35 35 SER N N 35 118.219 118.219 118.283 -0.064 18905 7701 1 13 . 1 1 35 35 SER HA H 35 4.718 4.718 4.499 0.219 18905 7702 1 13 . 1 1 35 35 SER CB C 35 60.222 60.222 63.827 -3.605 18905 7703 1 13 . 1 1 35 35 SER H H 35 8.262 8.262 7.757 0.505 18905 7704 1 13 . 1 1 36 36 THR N N 36 114.157 114.157 110.146 4.011 18905 7705 1 13 . 1 1 36 36 THR HA H 36 4.545 4.545 4.609 -0.064 18905 7706 1 13 . 1 1 36 36 THR CA C 36 56.508 56.508 60.760 -4.252 18905 7707 1 13 . 1 1 36 36 THR CB C 36 70.051 70.051 71.017 -0.966 18905 7708 1 13 . 1 1 36 36 THR H H 36 8.451 8.451 8.091 0.360 18905 7709 1 13 . 1 1 37 37 MET N N 37 119.815 119.815 119.393 0.422 18905 7710 1 13 . 1 1 37 37 MET HA H 37 3.943 3.943 4.224 -0.281 18905 7711 1 13 . 1 1 37 37 MET CA C 37 56.204 56.204 58.260 -2.056 18905 7712 1 13 . 1 1 37 37 MET CB C 37 28.959 28.959 31.778 -2.819 18905 7713 1 13 . 1 1 37 37 MET H H 37 8.928 8.928 8.677 0.251 18905 7714 1 13 . 1 1 38 38 ASP N N 38 115.357 115.357 119.842 -4.485 18905 7715 1 13 . 1 1 38 38 ASP HA H 38 4.301 4.301 4.357 -0.056 18905 7716 1 13 . 1 1 38 38 ASP CA C 38 54.750 54.750 57.291 -2.541 18905 7717 1 13 . 1 1 38 38 ASP CB C 38 37.934 37.934 40.316 -2.382 18905 7718 1 13 . 1 1 38 38 ASP H H 38 8.096 8.096 8.594 -0.498 18905 7719 1 13 . 1 1 39 39 SER N N 39 118.933 118.933 115.387 3.546 18905 7720 1 13 . 1 1 39 39 SER HA H 39 4.253 4.253 4.186 0.067 18905 7721 1 13 . 1 1 39 39 SER C C 39 174.818 174.818 177.454 -2.636 18905 7722 1 13 . 1 1 39 39 SER CA C 39 58.767 58.767 61.436 -2.669 18905 7723 1 13 . 1 1 39 39 SER CB C 39 61.631 61.631 62.926 -1.295 18905 7724 1 13 . 1 1 39 39 SER H H 39 8.088 8.088 7.746 0.342 18905 7725 1 13 . 1 1 40 40 ILE N N 40 124.376 124.376 122.258 2.118 18905 7726 1 13 . 1 1 40 40 ILE HA H 40 3.538 3.538 3.815 -0.277 18905 7727 1 13 . 1 1 40 40 ILE C C 40 174.358 174.358 177.038 -2.680 18905 7728 1 13 . 1 1 40 40 ILE CA C 40 62.936 62.936 64.766 -1.830 18905 7729 1 13 . 1 1 40 40 ILE CB C 40 35.725 35.725 38.142 -2.417 18905 7730 1 13 . 1 1 40 40 ILE H H 40 8.009 8.009 8.159 -0.150 18905 7731 1 13 . 1 1 41 41 LEU N N 41 117.914 117.914 116.966 0.948 18905 7732 1 13 . 1 1 41 41 LEU HA H 41 3.818 3.818 4.132 -0.314 18905 7733 1 13 . 1 1 41 41 LEU C C 41 178.292 178.292 177.688 0.604 18905 7734 1 13 . 1 1 41 41 LEU CA C 41 55.496 55.496 56.223 -0.727 18905 7735 1 13 . 1 1 41 41 LEU CB C 41 38.574 38.574 41.257 -2.683 18905 7736 1 13 . 1 1 41 41 LEU H H 41 8.574 8.574 7.511 1.063 18905 7737 1 13 . 1 1 42 42 GLY N N 42 105.053 105.053 103.684 1.369 18905 7738 1 13 . 1 1 42 42 GLY C C 42 173.318 173.318 173.642 -0.324 18905 7739 1 13 . 1 1 42 42 GLY CA C 42 44.283 44.283 44.654 -0.371 18905 7740 1 13 . 1 1 42 42 GLY H H 42 8.207 8.207 7.483 0.724 18905 7741 1 13 . 1 1 43 43 ALA N N 43 122.411 122.411 122.442 -0.031 18905 7742 1 13 . 1 1 43 43 ALA HA H 43 4.245 4.245 4.622 -0.377 18905 7743 1 13 . 1 1 43 43 ALA C C 43 176.200 176.200 176.821 -0.621 18905 7744 1 13 . 1 1 43 43 ALA CA C 43 51.148 51.148 52.961 -1.813 18905 7745 1 13 . 1 1 43 43 ALA CB C 43 17.381 17.381 20.689 -3.308 18905 7746 1 13 . 1 1 43 43 ALA H H 43 7.571 7.571 7.544 0.027 18905 7747 1 13 . 1 1 44 44 LEU N N 44 113.121 113.121 117.770 -4.649 18905 7748 1 13 . 1 1 44 44 LEU HA H 44 4.514 4.514 4.701 -0.187 18905 7749 1 13 . 1 1 44 44 LEU C C 44 174.187 174.187 178.676 -4.489 18905 7750 1 13 . 1 1 44 44 LEU CA C 44 52.247 52.247 53.560 -1.313 18905 7751 1 13 . 1 1 44 44 LEU CB C 44 40.210 40.210 41.403 -1.193 18905 7752 1 13 . 1 1 44 44 LEU H H 44 7.533 7.533 8.098 -0.565 18905 7753 1 13 . 1 1 45 45 ALA N N 45 123.574 123.574 124.844 -1.270 18905 7754 1 13 . 1 1 45 45 ALA HA H 45 4.313 4.313 4.094 0.219 18905 7755 1 13 . 1 1 45 45 ALA CA C 45 53.187 53.187 56.001 -2.814 18905 7756 1 13 . 1 1 45 45 ALA CB C 45 14.134 14.134 16.570 -2.436 18905 7757 1 13 . 1 1 45 45 ALA H H 45 7.398 7.398 8.555 -1.157 18905 7758 1 13 . 1 1 46 46 PRO HA H 46 4.043 4.043 4.300 -0.257 18905 7759 1 13 . 1 1 46 46 PRO CA C 46 61.784 61.784 64.005 -2.221 18905 7760 1 13 . 1 1 46 46 PRO CB C 46 27.999 27.999 31.471 -3.472 18905 7761 1 13 . 1 1 47 47 TYR N N 47 114.404 114.404 119.304 -4.900 18905 7762 1 13 . 1 1 47 47 TYR HA H 47 4.527 4.527 4.757 -0.230 18905 7763 1 13 . 1 1 47 47 TYR CA C 47 54.406 54.406 56.648 -2.242 18905 7764 1 13 . 1 1 47 47 TYR CB C 47 37.537 37.537 38.880 -1.343 18905 7765 1 13 . 1 1 47 47 TYR H H 47 7.897 7.897 7.463 0.434 18905 7766 1 13 . 1 1 48 48 ALA N N 48 119.845 119.845 121.518 -1.673 18905 7767 1 13 . 1 1 48 48 ALA HA H 48 4.360 4.360 4.581 -0.221 18905 7768 1 13 . 1 1 48 48 ALA C C 48 171.938 171.938 175.800 -3.862 18905 7769 1 13 . 1 1 48 48 ALA CA C 48 49.129 49.129 51.390 -2.261 18905 7770 1 13 . 1 1 48 48 ALA CB C 48 19.614 19.614 22.199 -2.585 18905 7771 1 13 . 1 1 48 48 ALA H H 48 8.083 8.083 7.459 0.624 18905 7772 1 13 . 1 1 49 49 VAL N N 49 122.528 122.528 123.764 -1.236 18905 7773 1 13 . 1 1 49 49 VAL HA H 49 3.904 3.904 4.478 -0.574 18905 7774 1 13 . 1 1 49 49 VAL C C 49 172.490 172.490 174.454 -1.964 18905 7775 1 13 . 1 1 49 49 VAL CA C 49 60.373 60.373 61.650 -1.277 18905 7776 1 13 . 1 1 49 49 VAL CB C 49 28.257 28.257 30.891 -2.634 18905 7777 1 13 . 1 1 49 49 VAL H H 49 8.414 8.414 8.440 -0.026 18905 7778 1 13 . 1 1 50 50 LEU N N 50 127.924 127.924 121.731 6.193 18905 7779 1 13 . 1 1 50 50 LEU HA H 50 4.650 4.650 4.921 -0.271 18905 7780 1 13 . 1 1 50 50 LEU C C 50 172.488 172.488 174.971 -2.483 18905 7781 1 13 . 1 1 50 50 LEU CA C 50 50.523 50.523 53.950 -3.427 18905 7782 1 13 . 1 1 50 50 LEU CB C 50 42.647 42.647 42.696 -0.049 18905 7783 1 13 . 1 1 50 50 LEU H H 50 7.904 7.904 7.668 0.236 18905 7784 1 13 . 1 1 51 51 SER N N 51 114.999 114.999 113.642 1.357 18905 7785 1 13 . 1 1 51 51 SER HA H 51 4.783 4.783 4.953 -0.170 18905 7786 1 13 . 1 1 51 51 SER C C 51 172.827 172.827 174.821 -1.994 18905 7787 1 13 . 1 1 51 51 SER CA C 51 53.708 53.708 57.711 -4.003 18905 7788 1 13 . 1 1 51 51 SER CB C 51 63.424 63.424 65.740 -2.316 18905 7789 1 13 . 1 1 51 51 SER H H 51 8.623 8.623 8.275 0.348 18905 7790 1 13 . 1 1 52 52 SER N N 52 118.355 118.355 116.186 2.169 18905 7791 1 13 . 1 1 52 52 SER HA H 52 4.301 4.301 4.344 -0.043 18905 7792 1 13 . 1 1 52 52 SER C C 52 173.242 173.242 175.294 -2.052 18905 7793 1 13 . 1 1 52 52 SER CA C 52 58.709 58.709 60.434 -1.725 18905 7794 1 13 . 1 1 52 52 SER CB C 52 59.826 59.826 63.235 -3.409 18905 7795 1 13 . 1 1 52 52 SER H H 52 9.117 9.117 8.580 0.537 18905 7796 1 13 . 1 1 53 53 SER N N 53 114.926 114.926 115.146 -0.220 18905 7797 1 13 . 1 1 53 53 SER HA H 53 4.292 4.292 4.468 -0.176 18905 7798 1 13 . 1 1 53 53 SER CA C 53 57.882 57.882 59.602 -1.720 18905 7799 1 13 . 1 1 53 53 SER CB C 53 60.220 60.220 63.631 -3.411 18905 7800 1 13 . 1 1 53 53 SER H H 53 8.014 8.014 7.958 0.056 18905 7801 1 13 . 1 1 54 54 ASN N N 54 116.432 116.432 119.143 -2.711 18905 7802 1 13 . 1 1 54 54 ASN HA H 54 4.914 4.914 4.501 0.413 18905 7803 1 13 . 1 1 54 54 ASN C C 54 170.744 170.744 175.691 -4.947 18905 7804 1 13 . 1 1 54 54 ASN CA C 54 52.054 52.054 56.337 -4.283 18905 7805 1 13 . 1 1 54 54 ASN CB C 54 38.952 38.952 39.041 -0.089 18905 7806 1 13 . 1 1 54 54 ASN H H 54 7.996 7.996 7.732 0.264 18905 7807 1 13 . 1 1 55 55 VAL N N 55 118.877 118.877 119.477 -0.600 18905 7808 1 13 . 1 1 55 55 VAL HA H 55 4.891 4.891 4.506 0.385 18905 7809 1 13 . 1 1 55 55 VAL C C 55 171.238 171.238 174.600 -3.362 18905 7810 1 13 . 1 1 55 55 VAL CA C 55 58.709 58.709 62.398 -3.688 18905 7811 1 13 . 1 1 55 55 VAL CB C 55 31.652 31.652 33.167 -1.516 18905 7812 1 13 . 1 1 55 55 VAL H H 55 7.421 7.421 7.259 0.162 18905 7813 1 13 . 1 1 56 56 ARG N N 56 125.757 125.757 124.523 1.234 18905 7814 1 13 . 1 1 56 56 ARG HA H 56 4.708 4.708 4.715 -0.007 18905 7815 1 13 . 1 1 56 56 ARG C C 56 172.321 172.321 174.067 -1.746 18905 7816 1 13 . 1 1 56 56 ARG CA C 56 51.878 51.878 54.512 -2.634 18905 7817 1 13 . 1 1 56 56 ARG CB C 56 30.211 30.211 34.678 -4.467 18905 7818 1 13 . 1 1 56 56 ARG H H 56 9.011 9.011 8.916 0.095 18905 7819 1 13 . 1 1 57 57 VAL N N 57 125.646 125.646 122.125 3.521 18905 7820 1 13 . 1 1 57 57 VAL HA H 57 3.878 3.878 4.152 -0.274 18905 7821 1 13 . 1 1 57 57 VAL C C 57 172.129 172.129 173.738 -1.609 18905 7822 1 13 . 1 1 57 57 VAL CA C 57 59.043 59.043 60.768 -1.725 18905 7823 1 13 . 1 1 57 57 VAL CB C 57 30.019 30.019 33.784 -3.765 18905 7824 1 13 . 1 1 57 57 VAL H H 57 8.794 8.794 8.444 0.350 18905 7825 1 13 . 1 1 58 58 ILE N N 58 127.547 127.547 128.729 -1.182 18905 7826 1 13 . 1 1 58 58 ILE HA H 58 4.049 4.049 4.207 -0.158 18905 7827 1 13 . 1 1 58 58 ILE C C 58 172.672 172.672 175.744 -3.072 18905 7828 1 13 . 1 1 58 58 ILE CA C 58 57.246 57.246 60.377 -3.131 18905 7829 1 13 . 1 1 58 58 ILE CB C 58 32.839 32.839 37.917 -5.078 18905 7830 1 13 . 1 1 58 58 ILE H H 58 7.259 7.259 8.032 -0.773 18905 7831 1 13 . 1 1 59 59 LYS N N 59 127.231 127.231 125.452 1.779 18905 7832 1 13 . 1 1 59 59 LYS HA H 59 4.532 4.532 4.753 -0.221 18905 7833 1 13 . 1 1 59 59 LYS C C 59 173.119 173.119 175.566 -2.447 18905 7834 1 13 . 1 1 59 59 LYS CA C 59 52.444 52.444 54.983 -2.539 18905 7835 1 13 . 1 1 59 59 LYS CB C 59 32.374 32.374 34.516 -2.142 18905 7836 1 13 . 1 1 59 59 LYS H H 59 8.571 8.571 8.228 0.343 18905 7837 1 13 . 1 1 60 60 ASP N N 60 123.232 123.232 119.958 3.274 18905 7838 1 13 . 1 1 60 60 ASP HA H 60 4.496 4.496 4.694 -0.198 18905 7839 1 13 . 1 1 60 60 ASP C C 60 174.118 174.118 175.932 -1.814 18905 7840 1 13 . 1 1 60 60 ASP CA C 60 50.786 50.786 53.562 -2.776 18905 7841 1 13 . 1 1 60 60 ASP CB C 60 40.058 40.058 42.025 -1.967 18905 7842 1 13 . 1 1 60 60 ASP H H 60 8.527 8.527 8.546 -0.019 18905 7843 1 13 . 1 1 61 61 LYS N N 61 125.977 125.977 120.298 5.679 18905 7844 1 13 . 1 1 61 61 LYS HA H 61 3.918 3.918 4.315 -0.397 18905 7845 1 13 . 1 1 61 61 LYS C C 61 174.696 174.696 177.584 -2.888 18905 7846 1 13 . 1 1 61 61 LYS CA C 61 56.017 56.017 57.663 -1.646 18905 7847 1 13 . 1 1 61 61 LYS CB C 61 29.813 29.813 33.118 -3.305 18905 7848 1 13 . 1 1 61 61 LYS H H 61 8.770 8.770 8.522 0.248 18905 7849 1 13 . 1 1 62 62 GLN N N 62 116.732 116.732 119.166 -2.434 18905 7850 1 13 . 1 1 62 62 GLN HA H 62 4.252 4.252 4.155 0.097 18905 7851 1 13 . 1 1 62 62 GLN C C 62 174.793 174.793 176.807 -2.014 18905 7852 1 13 . 1 1 62 62 GLN CA C 62 55.001 55.001 57.541 -2.540 18905 7853 1 13 . 1 1 62 62 GLN CB C 62 26.516 26.516 29.234 -2.718 18905 7854 1 13 . 1 1 62 62 GLN H H 62 8.538 8.538 8.681 -0.143 18905 7855 1 13 . 1 1 63 63 THR N N 63 108.519 108.519 110.300 -1.781 18905 7856 1 13 . 1 1 63 63 THR HA H 63 4.265 4.265 4.579 -0.314 18905 7857 1 13 . 1 1 63 63 THR CA C 63 59.302 59.302 60.080 -0.778 18905 7858 1 13 . 1 1 63 63 THR CB C 63 67.891 67.891 71.150 -3.259 18905 7859 1 13 . 1 1 63 63 THR H H 63 7.882 7.882 8.151 -0.269 18905 7860 1 13 . 1 1 64 64 GLN N N 64 113.890 113.890 118.766 -4.876 18905 7861 1 13 . 1 1 64 64 GLN HA H 64 3.829 3.829 4.647 -0.818 18905 7862 1 13 . 1 1 64 64 GLN C C 64 172.129 172.129 174.528 -2.399 18905 7863 1 13 . 1 1 64 64 GLN CA C 64 54.560 54.560 54.766 -0.205 18905 7864 1 13 . 1 1 64 64 GLN CB C 64 23.812 23.812 28.455 -4.643 18905 7865 1 13 . 1 1 64 64 GLN H H 64 8.188 8.188 8.449 -0.261 18905 7866 1 13 . 1 1 65 65 LEU N N 65 119.516 119.516 119.339 0.177 18905 7867 1 13 . 1 1 65 65 LEU HA H 65 4.463 4.463 4.592 -0.129 18905 7868 1 13 . 1 1 65 65 LEU C C 65 174.174 174.174 175.647 -1.473 18905 7869 1 13 . 1 1 65 65 LEU CA C 65 51.024 51.024 52.796 -1.772 18905 7870 1 13 . 1 1 65 65 LEU CB C 65 39.608 39.608 45.864 -6.256 18905 7871 1 13 . 1 1 65 65 LEU H H 65 7.682 7.682 7.405 0.277 18905 7872 1 13 . 1 1 66 66 ASN N N 66 117.776 117.776 119.098 -1.322 18905 7873 1 13 . 1 1 66 66 ASN HA H 66 4.958 4.958 4.740 0.217 18905 7874 1 13 . 1 1 66 66 ASN C C 66 171.913 171.913 176.317 -4.404 18905 7875 1 13 . 1 1 66 66 ASN CA C 66 50.440 50.440 53.580 -3.140 18905 7876 1 13 . 1 1 66 66 ASN CB C 66 36.771 36.771 38.602 -1.831 18905 7877 1 13 . 1 1 66 66 ASN H H 66 8.771 8.771 8.323 0.448 18905 7878 1 13 . 1 1 67 67 ARG N N 67 117.508 117.508 126.231 -8.723 18905 7879 1 13 . 1 1 67 67 ARG HA H 67 4.193 4.193 4.098 0.095 18905 7880 1 13 . 1 1 67 67 ARG CA C 67 53.615 53.615 55.810 -2.195 18905 7881 1 13 . 1 1 67 67 ARG CB C 67 28.137 28.137 28.531 -0.394 18905 7882 1 13 . 1 1 67 67 ARG H H 67 8.313 8.313 8.122 0.191 18905 7883 1 13 . 1 1 68 68 GLY N N 68 107.904 107.904 107.263 0.641 18905 7884 1 13 . 1 1 68 68 GLY CA C 68 42.842 42.842 46.090 -3.248 18905 7885 1 13 . 1 1 68 68 GLY H H 68 9.437 9.437 8.448 0.989 18905 7886 1 13 . 1 1 69 69 PHE N N 69 113.804 113.804 114.520 -0.716 18905 7887 1 13 . 1 1 69 69 PHE HA H 69 5.754 5.754 5.276 0.478 18905 7888 1 13 . 1 1 69 69 PHE C C 69 170.151 170.151 172.619 -2.468 18905 7889 1 13 . 1 1 69 69 PHE CA C 69 51.625 51.625 54.085 -2.460 18905 7890 1 13 . 1 1 69 69 PHE CB C 69 39.587 39.587 40.649 -1.062 18905 7891 1 13 . 1 1 69 69 PHE H H 69 6.750 6.750 7.707 -0.957 18905 7892 1 13 . 1 1 70 70 ALA N N 70 118.965 118.965 119.828 -0.863 18905 7893 1 13 . 1 1 70 70 ALA HA H 70 4.807 4.807 4.422 0.385 18905 7894 1 13 . 1 1 70 70 ALA C C 70 171.693 171.693 174.665 -2.972 18905 7895 1 13 . 1 1 70 70 ALA CA C 70 47.155 47.155 51.156 -4.001 18905 7896 1 13 . 1 1 70 70 ALA CB C 70 21.153 21.153 21.818 -0.665 18905 7897 1 13 . 1 1 70 70 ALA H H 70 8.526 8.526 7.536 0.990 18905 7898 1 13 . 1 1 71 71 PHE N N 71 117.469 117.469 116.824 0.645 18905 7899 1 13 . 1 1 71 71 PHE HA H 71 5.537 5.537 5.416 0.121 18905 7900 1 13 . 1 1 71 71 PHE C C 71 172.630 172.630 174.038 -1.408 18905 7901 1 13 . 1 1 71 71 PHE CA C 71 52.609 52.609 56.149 -3.540 18905 7902 1 13 . 1 1 71 71 PHE CB C 71 39.675 39.675 44.650 -4.975 18905 7903 1 13 . 1 1 71 71 PHE H H 71 8.824 8.824 8.342 0.482 18905 7904 1 13 . 1 1 72 72 ILE N N 72 122.867 122.867 120.302 2.565 18905 7905 1 13 . 1 1 72 72 ILE HA H 72 5.022 5.022 4.534 0.488 18905 7906 1 13 . 1 1 72 72 ILE CA C 72 56.881 56.881 60.595 -3.714 18905 7907 1 13 . 1 1 72 72 ILE CB C 72 37.031 37.031 41.767 -4.736 18905 7908 1 13 . 1 1 72 72 ILE H H 72 9.555 9.555 8.986 0.569 18905 7909 1 13 . 1 1 73 73 GLN N N 73 128.422 128.422 128.021 0.401 18905 7910 1 13 . 1 1 73 73 GLN HA H 73 5.170 5.170 4.335 0.835 18905 7911 1 13 . 1 1 73 73 GLN CA C 73 52.252 52.252 55.707 -3.455 18905 7912 1 13 . 1 1 73 73 GLN CB C 73 28.291 28.291 29.559 -1.268 18905 7913 1 13 . 1 1 73 73 GLN H H 73 8.964 8.964 8.540 0.424 18905 7914 1 13 . 1 1 74 74 LEU N N 74 126.707 126.707 125.566 1.141 18905 7915 1 13 . 1 1 74 74 LEU HA H 74 4.789 4.789 4.644 0.145 18905 7916 1 13 . 1 1 74 74 LEU CA C 74 50.617 50.617 53.855 -3.238 18905 7917 1 13 . 1 1 74 74 LEU CB C 74 44.885 44.885 45.813 -0.928 18905 7918 1 13 . 1 1 74 74 LEU H H 74 8.420 8.420 8.112 0.308 18905 7919 1 13 . 1 1 75 75 SER HA H 75 4.284 4.284 4.463 -0.179 18905 7920 1 13 . 1 1 75 75 SER CA C 75 55.390 55.390 59.158 -3.768 18905 7921 1 13 . 1 1 75 75 SER CB C 75 61.275 61.275 64.060 -2.785 18905 7922 1 13 . 1 1 76 76 THR N N 76 116.193 116.193 116.455 -0.262 18905 7923 1 13 . 1 1 76 76 THR HA H 76 3.994 3.994 4.184 -0.190 18905 7924 1 13 . 1 1 76 76 THR C C 76 174.630 174.630 176.524 -1.894 18905 7925 1 13 . 1 1 76 76 THR CA C 76 64.225 64.225 65.374 -1.149 18905 7926 1 13 . 1 1 76 76 THR CB C 76 66.003 66.003 68.720 -2.717 18905 7927 1 13 . 1 1 76 76 THR H H 76 8.614 8.614 8.487 0.127 18905 7928 1 13 . 1 1 77 77 ILE N N 77 120.400 120.400 120.041 0.359 18905 7929 1 13 . 1 1 77 77 ILE HA H 77 3.911 3.911 3.876 0.035 18905 7930 1 13 . 1 1 77 77 ILE C C 77 175.577 175.577 177.617 -2.040 18905 7931 1 13 . 1 1 77 77 ILE CA C 77 61.264 61.264 63.945 -2.681 18905 7932 1 13 . 1 1 77 77 ILE CB C 77 35.379 35.379 36.987 -1.608 18905 7933 1 13 . 1 1 77 77 ILE H H 77 8.044 8.044 8.349 -0.305 18905 7934 1 13 . 1 1 78 78 GLU N N 78 120.562 120.562 118.874 1.688 18905 7935 1 13 . 1 1 78 78 GLU HA H 78 4.062 4.062 4.096 -0.034 18905 7936 1 13 . 1 1 78 78 GLU C C 78 176.596 176.596 178.511 -1.915 18905 7937 1 13 . 1 1 78 78 GLU CA C 78 56.355 56.355 59.149 -2.794 18905 7938 1 13 . 1 1 78 78 GLU CB C 78 27.668 27.668 28.793 -1.125 18905 7939 1 13 . 1 1 78 78 GLU H H 78 7.548 7.548 8.510 -0.962 18905 7940 1 13 . 1 1 79 79 ALA N N 79 122.789 122.789 122.476 0.313 18905 7941 1 13 . 1 1 79 79 ALA HA H 79 3.923 3.923 4.146 -0.223 18905 7942 1 13 . 1 1 79 79 ALA C C 79 175.736 175.736 179.338 -3.602 18905 7943 1 13 . 1 1 79 79 ALA CA C 79 52.649 52.649 54.963 -2.314 18905 7944 1 13 . 1 1 79 79 ALA CB C 79 15.305 15.305 18.198 -2.893 18905 7945 1 13 . 1 1 79 79 ALA H H 79 9.279 9.279 7.682 1.597 18905 7946 1 13 . 1 1 80 80 ALA N N 80 118.643 118.643 121.009 -2.366 18905 7947 1 13 . 1 1 80 80 ALA HA H 80 4.001 4.001 3.831 0.170 18905 7948 1 13 . 1 1 80 80 ALA C C 80 177.943 177.943 179.690 -1.747 18905 7949 1 13 . 1 1 80 80 ALA CA C 80 52.521 52.521 55.041 -2.520 18905 7950 1 13 . 1 1 80 80 ALA CB C 80 15.281 15.281 18.633 -3.352 18905 7951 1 13 . 1 1 80 80 ALA H H 80 7.688 7.688 7.788 -0.100 18905 7952 1 13 . 1 1 81 81 GLN N N 81 116.877 116.877 116.370 0.507 18905 7953 1 13 . 1 1 81 81 GLN HA H 81 4.015 4.015 4.070 -0.055 18905 7954 1 13 . 1 1 81 81 GLN CA C 81 55.760 55.760 58.163 -2.404 18905 7955 1 13 . 1 1 81 81 GLN CB C 81 25.786 25.786 28.376 -2.590 18905 7956 1 13 . 1 1 81 81 GLN H H 81 7.593 7.593 8.335 -0.742 18905 7957 1 13 . 1 1 82 82 LEU N N 82 119.946 119.946 121.441 -1.495 18905 7958 1 13 . 1 1 82 82 LEU HA H 82 4.121 4.121 4.099 0.022 18905 7959 1 13 . 1 1 82 82 LEU C C 82 175.358 175.358 178.756 -3.398 18905 7960 1 13 . 1 1 82 82 LEU CA C 82 54.781 54.781 56.735 -1.954 18905 7961 1 13 . 1 1 82 82 LEU CB C 82 38.240 38.240 40.712 -2.472 18905 7962 1 13 . 1 1 82 82 LEU H H 82 8.258 8.258 7.461 0.797 18905 7963 1 13 . 1 1 83 83 LEU N N 83 119.288 119.288 119.901 -0.613 18905 7964 1 13 . 1 1 83 83 LEU HA H 83 3.585 3.585 3.857 -0.272 18905 7965 1 13 . 1 1 83 83 LEU C C 83 175.365 175.365 178.559 -3.194 18905 7966 1 13 . 1 1 83 83 LEU CA C 83 56.142 56.142 58.450 -2.308 18905 7967 1 13 . 1 1 83 83 LEU CB C 83 38.875 38.875 41.617 -2.742 18905 7968 1 13 . 1 1 83 83 LEU H H 83 8.407 8.407 7.649 0.758 18905 7969 1 13 . 1 1 84 84 GLN N N 84 115.391 115.391 117.361 -1.970 18905 7970 1 13 . 1 1 84 84 GLN HA H 84 3.878 3.878 4.029 -0.151 18905 7971 1 13 . 1 1 84 84 GLN C C 84 176.472 176.472 177.806 -1.334 18905 7972 1 13 . 1 1 84 84 GLN CA C 84 56.142 56.142 58.472 -2.330 18905 7973 1 13 . 1 1 84 84 GLN CB C 84 25.733 25.733 28.470 -2.737 18905 7974 1 13 . 1 1 84 84 GLN H H 84 7.347 7.347 7.539 -0.192 18905 7975 1 13 . 1 1 85 85 ILE N N 85 119.593 119.593 119.582 0.011 18905 7976 1 13 . 1 1 85 85 ILE HA H 85 3.607 3.607 3.805 -0.198 18905 7977 1 13 . 1 1 85 85 ILE CA C 85 61.779 61.779 64.048 -2.269 18905 7978 1 13 . 1 1 85 85 ILE CB C 85 35.948 35.948 38.439 -2.491 18905 7979 1 13 . 1 1 85 85 ILE H H 85 7.650 7.650 7.739 -0.089 18905 7980 1 13 . 1 1 86 86 LEU N N 86 116.537 116.537 118.822 -2.285 18905 7981 1 13 . 1 1 86 86 LEU HA H 86 3.757 3.757 4.024 -0.267 18905 7982 1 13 . 1 1 86 86 LEU C C 86 177.610 177.610 179.311 -1.701 18905 7983 1 13 . 1 1 86 86 LEU CA C 86 54.521 54.521 57.147 -2.626 18905 7984 1 13 . 1 1 86 86 LEU CB C 86 39.226 39.226 40.531 -1.305 18905 7985 1 13 . 1 1 86 86 LEU H H 86 8.410 8.410 7.752 0.658 18905 7986 1 13 . 1 1 87 87 GLN N N 87 115.959 115.959 117.561 -1.602 18905 7987 1 13 . 1 1 87 87 GLN HA H 87 4.009 4.009 4.146 -0.137 18905 7988 1 13 . 1 1 87 87 GLN C C 87 174.156 174.156 176.852 -2.696 18905 7989 1 13 . 1 1 87 87 GLN CA C 87 55.735 55.735 57.947 -2.212 18905 7990 1 13 . 1 1 87 87 GLN CB C 87 25.516 25.516 28.333 -2.817 18905 7991 1 13 . 1 1 87 87 GLN H H 87 8.406 8.406 7.849 0.557 18905 7992 1 13 . 1 1 88 88 ALA N N 88 120.044 120.044 120.071 -0.027 18905 7993 1 13 . 1 1 88 88 ALA HA H 88 4.338 4.338 4.389 -0.051 18905 7994 1 13 . 1 1 88 88 ALA C C 88 174.373 174.373 176.307 -1.934 18905 7995 1 13 . 1 1 88 88 ALA CA C 88 48.933 48.933 52.035 -3.102 18905 7996 1 13 . 1 1 88 88 ALA CB C 88 16.681 16.681 20.183 -3.502 18905 7997 1 13 . 1 1 88 88 ALA H H 88 7.110 7.110 7.985 -0.875 18905 7998 1 13 . 1 1 89 89 LEU N N 89 119.696 119.696 116.582 3.114 18905 7999 1 13 . 1 1 89 89 LEU HA H 89 3.929 3.929 4.915 -0.986 18905 8000 1 13 . 1 1 89 89 LEU C C 89 175.387 175.387 175.486 -0.099 18905 8001 1 13 . 1 1 89 89 LEU CA C 89 53.364 53.364 54.454 -1.090 18905 8002 1 13 . 1 1 89 89 LEU CB C 89 39.775 39.775 43.940 -4.165 18905 8003 1 13 . 1 1 89 89 LEU H H 89 6.693 6.693 7.510 -0.817 18905 8004 1 13 . 1 1 90 90 HIS N N 90 120.136 120.136 117.828 2.308 18905 8005 1 13 . 1 1 90 90 HIS HA H 90 4.419 4.419 4.983 -0.564 18905 8006 1 13 . 1 1 90 90 HIS CA C 90 50.226 50.226 53.246 -3.020 18905 8007 1 13 . 1 1 90 90 HIS CB C 90 27.853 27.853 31.446 -3.593 18905 8008 1 13 . 1 1 90 90 HIS H H 90 8.299 8.299 8.531 -0.232 18905 8009 1 13 . 1 1 91 91 PRO HA H 91 4.367 4.367 4.791 -0.424 18905 8010 1 13 . 1 1 91 91 PRO CA C 91 60.550 60.550 61.479 -0.929 18905 8011 1 13 . 1 1 91 91 PRO CB C 91 29.416 29.416 31.761 -2.345 18905 8012 1 13 . 1 1 92 92 PRO HA H 92 4.815 4.815 4.369 0.446 18905 8013 1 13 . 1 1 92 92 PRO CA C 92 59.812 59.812 63.934 -4.122 18905 8014 1 13 . 1 1 92 92 PRO CB C 92 30.119 30.119 31.888 -1.769 18905 8015 1 13 . 1 1 93 93 LEU N N 93 121.469 121.469 121.023 0.446 18905 8016 1 13 . 1 1 93 93 LEU HA H 93 3.954 3.954 4.248 -0.294 18905 8017 1 13 . 1 1 93 93 LEU CA C 93 53.500 53.500 56.107 -2.607 18905 8018 1 13 . 1 1 93 93 LEU CB C 93 39.889 39.889 40.411 -0.522 18905 8019 1 13 . 1 1 93 93 LEU H H 93 8.404 8.404 8.237 0.167 18905 8020 1 13 . 1 1 94 94 THR HA H 94 5.276 5.276 4.422 0.854 18905 8021 1 13 . 1 1 94 94 THR CA C 94 57.077 57.077 61.181 -4.104 18905 8022 1 13 . 1 1 94 94 THR CB C 94 69.076 69.076 69.470 -0.394 18905 8023 1 13 . 1 1 95 95 ILE N N 95 121.239 121.239 125.372 -4.133 18905 8024 1 13 . 1 1 95 95 ILE HA H 95 4.184 4.184 3.994 0.190 18905 8025 1 13 . 1 1 95 95 ILE CA C 95 58.054 58.054 62.478 -4.424 18905 8026 1 13 . 1 1 95 95 ILE CB C 95 37.534 37.534 38.873 -1.339 18905 8027 1 13 . 1 1 95 95 ILE H H 95 8.317 8.317 8.342 -0.025 18905 8028 1 13 . 1 1 96 96 ASP N N 96 130.909 130.909 126.678 4.231 18905 8029 1 13 . 1 1 96 96 ASP HA H 96 4.292 4.292 4.243 0.049 18905 8030 1 13 . 1 1 96 96 ASP CA C 96 53.001 53.001 55.319 -2.318 18905 8031 1 13 . 1 1 96 96 ASP CB C 96 37.114 37.114 40.732 -3.618 18905 8032 1 13 . 1 1 96 96 ASP H H 96 9.837 9.837 9.044 0.793 18905 8033 1 13 . 1 1 97 97 GLY N N 97 102.578 102.578 103.687 -1.109 18905 8034 1 13 . 1 1 97 97 GLY C C 97 170.992 170.992 174.518 -3.526 18905 8035 1 13 . 1 1 97 97 GLY CA C 97 42.754 42.754 44.908 -2.154 18905 8036 1 13 . 1 1 97 97 GLY H H 97 8.638 8.638 7.664 0.974 18905 8037 1 13 . 1 1 98 98 LYS N N 98 120.330 120.330 123.099 -2.769 18905 8038 1 13 . 1 1 98 98 LYS HA H 98 4.629 4.629 4.411 0.218 18905 8039 1 13 . 1 1 98 98 LYS C C 98 172.675 172.675 176.362 -3.687 18905 8040 1 13 . 1 1 98 98 LYS CA C 98 50.304 50.304 54.443 -4.138 18905 8041 1 13 . 1 1 98 98 LYS CB C 98 31.136 31.136 30.903 0.233 18905 8042 1 13 . 1 1 98 98 LYS H H 98 7.440 7.440 8.205 -0.765 18905 8043 1 13 . 1 1 99 99 THR N N 99 119.612 119.612 115.064 4.548 18905 8044 1 13 . 1 1 99 99 THR HA H 99 4.356 4.356 4.036 0.320 18905 8045 1 13 . 1 1 99 99 THR C C 99 171.511 171.511 174.442 -2.931 18905 8046 1 13 . 1 1 99 99 THR CA C 99 60.382 60.382 61.935 -1.553 18905 8047 1 13 . 1 1 99 99 THR CB C 99 65.967 65.967 69.161 -3.194 18905 8048 1 13 . 1 1 99 99 THR H H 99 8.626 8.626 7.839 0.787 18905 8049 1 13 . 1 1 100 100 ILE N N 100 129.389 129.389 124.094 5.295 18905 8050 1 13 . 1 1 100 100 ILE HA H 100 4.358 4.358 3.965 0.393 18905 8051 1 13 . 1 1 100 100 ILE C C 100 172.710 172.710 176.151 -3.441 18905 8052 1 13 . 1 1 100 100 ILE CA C 100 55.202 55.202 60.432 -5.231 18905 8053 1 13 . 1 1 100 100 ILE CB C 100 34.925 34.925 36.278 -1.353 18905 8054 1 13 . 1 1 100 100 ILE H H 100 8.463 8.463 8.259 0.204 18905 8055 1 13 . 1 1 101 101 ASN N N 101 123.767 123.767 125.852 -2.085 18905 8056 1 13 . 1 1 101 101 ASN HA H 101 4.904 4.904 4.790 0.114 18905 8057 1 13 . 1 1 101 101 ASN C C 101 170.860 170.860 174.100 -3.240 18905 8058 1 13 . 1 1 101 101 ASN CA C 101 49.884 49.884 53.295 -3.411 18905 8059 1 13 . 1 1 101 101 ASN CB C 101 38.364 38.364 39.595 -1.231 18905 8060 1 13 . 1 1 101 101 ASN H H 101 7.878 7.878 8.411 -0.533 18905 8061 1 13 . 1 1 102 102 VAL N N 102 122.207 122.207 118.831 3.376 18905 8062 1 13 . 1 1 102 102 VAL HA H 102 4.933 4.933 4.325 0.608 18905 8063 1 13 . 1 1 102 102 VAL C C 102 175.222 175.222 173.470 1.752 18905 8064 1 13 . 1 1 102 102 VAL CA C 102 57.981 57.981 61.344 -3.363 18905 8065 1 13 . 1 1 102 102 VAL CB C 102 31.183 31.183 33.365 -2.182 18905 8066 1 13 . 1 1 102 102 VAL H H 102 8.503 8.503 8.215 0.288 18905 8067 1 13 . 1 1 103 103 GLU N N 103 124.079 124.079 128.770 -4.691 18905 8068 1 13 . 1 1 103 103 GLU HA H 103 4.557 4.557 4.801 -0.244 18905 8069 1 13 . 1 1 103 103 GLU CA C 103 51.772 51.772 55.539 -3.767 18905 8070 1 13 . 1 1 103 103 GLU CB C 103 31.226 31.226 33.965 -2.739 18905 8071 1 13 . 1 1 103 103 GLU H H 103 8.627 8.627 8.637 -0.010 18905 8072 1 13 . 1 1 104 104 PHE N N 104 121.287 121.287 117.583 3.704 18905 8073 1 13 . 1 1 104 104 PHE HA H 104 5.047 5.047 5.102 -0.055 18905 8074 1 13 . 1 1 104 104 PHE C C 104 173.023 173.023 173.970 -0.947 18905 8075 1 13 . 1 1 104 104 PHE CA C 104 55.305 55.305 55.517 -0.213 18905 8076 1 13 . 1 1 104 104 PHE CB C 104 38.342 38.342 41.792 -3.450 18905 8077 1 13 . 1 1 104 104 PHE H H 104 8.778 8.778 8.620 0.158 18905 8078 1 13 . 1 1 105 105 ALA N N 105 127.703 127.703 122.085 5.618 18905 8079 1 13 . 1 1 105 105 ALA HA H 105 4.278 4.278 4.404 -0.126 18905 8080 1 13 . 1 1 105 105 ALA C C 105 172.939 172.939 176.144 -3.205 18905 8081 1 13 . 1 1 105 105 ALA CA C 105 48.936 48.936 52.240 -3.304 18905 8082 1 13 . 1 1 105 105 ALA CB C 105 17.822 17.822 20.029 -2.207 18905 8083 1 13 . 1 1 105 105 ALA H H 105 8.630 8.630 8.962 -0.332 18905 8084 1 13 . 1 1 106 106 LYS N N 106 121.259 121.259 119.935 1.324 18905 8085 1 13 . 1 1 106 106 LYS HA H 106 4.211 4.211 4.187 0.024 18905 8086 1 13 . 1 1 106 106 LYS C C 106 174.939 174.939 176.431 -1.492 18905 8087 1 13 . 1 1 106 106 LYS CA C 106 52.995 52.995 56.134 -3.139 18905 8088 1 13 . 1 1 106 106 LYS CB C 106 30.290 30.290 32.665 -2.375 18905 8089 1 13 . 1 1 106 106 LYS H H 106 8.289 8.289 7.475 0.814 18905 8090 1 13 . 1 1 107 107 GLY N N 107 111.965 111.965 109.325 2.640 18905 8091 1 13 . 1 1 107 107 GLY C C 107 171.215 171.215 173.444 -2.229 18905 8092 1 13 . 1 1 107 107 GLY CA C 107 42.651 42.651 45.001 -2.350 18905 8093 1 13 . 1 1 107 107 GLY H H 107 8.921 8.921 8.662 0.259 18905 8094 1 13 . 1 1 108 108 SER N N 108 114.479 114.479 118.159 -3.680 18905 8095 1 13 . 1 1 108 108 SER HA H 108 4.294 4.294 4.419 -0.125 18905 8096 1 13 . 1 1 108 108 SER C C 108 172.040 172.040 174.250 -2.210 18905 8097 1 13 . 1 1 108 108 SER CA C 108 55.336 55.336 59.046 -3.710 18905 8098 1 13 . 1 1 108 108 SER H H 108 8.197 8.197 8.484 -0.287 18905 8099 1 13 . 1 1 109 109 LYS N N 109 123.374 123.374 119.429 3.945 18905 8100 1 13 . 1 1 109 109 LYS HA H 109 4.198 4.198 4.505 -0.307 18905 8101 1 13 . 1 1 109 109 LYS C C 109 173.967 173.967 174.930 -0.963 18905 8102 1 13 . 1 1 109 109 LYS CA C 109 53.730 53.730 55.484 -1.754 18905 8103 1 13 . 1 1 109 109 LYS CB C 109 30.137 30.137 36.328 -6.191 18905 8104 1 13 . 1 1 109 109 LYS H H 109 8.306 8.306 8.594 -0.288 18905 8105 1 13 . 1 1 110 110 ARG N N 110 134.189 134.189 122.096 12.093 18905 8106 1 13 . 1 1 110 110 ARG HA H 110 4.542 4.542 4.640 -0.098 18905 8107 1 13 . 1 1 110 110 ARG C C 110 173.119 173.119 175.203 -2.084 18905 8108 1 13 . 1 1 110 110 ARG CA C 110 52.474 52.474 55.958 -3.483 18905 8109 1 13 . 1 1 110 110 ARG CB C 110 32.296 32.296 30.549 1.747 18905 8110 1 13 . 1 1 111 111 ASP N N 111 123.210 123.210 123.837 -0.627 18905 8111 1 13 . 1 1 111 111 ASP HA H 111 4.519 4.519 4.646 -0.127 18905 8112 1 13 . 1 1 111 111 ASP C C 111 174.187 174.187 176.039 -1.852 18905 8113 1 13 . 1 1 111 111 ASP CA C 111 52.307 52.307 54.638 -2.331 18905 8114 1 13 . 1 1 111 111 ASP CB C 111 40.206 40.206 41.382 -1.176 18905 8115 1 13 . 1 1 111 111 ASP H H 111 8.523 8.523 8.606 -0.083 18905 8116 1 13 . 1 1 112 112 MET HA H 112 4.330 4.330 4.619 -0.289 18905 8117 1 13 . 1 1 112 112 MET CA C 112 53.074 53.074 55.592 -2.518 18905 8118 1 13 . 1 1 112 112 MET CB C 112 30.057 30.057 32.859 -2.802 18905 8119 1 13 . 1 1 113 113 ALA N N 113 124.061 124.061 123.745 0.316 18905 8120 1 13 . 1 1 113 113 ALA HA H 113 4.229 4.229 4.542 -0.313 18905 8121 1 13 . 1 1 113 113 ALA C C 113 175.243 175.243 176.000 -0.757 18905 8122 1 13 . 1 1 113 113 ALA CA C 113 49.967 49.967 52.824 -2.857 18905 8123 1 13 . 1 1 113 113 ALA CB C 113 16.436 16.436 19.930 -3.494 18905 8124 1 13 . 1 1 113 113 ALA H H 113 8.214 8.214 7.813 0.401 18905 8125 1 13 . 1 1 114 114 SER N N 114 114.286 114.286 116.667 -2.381 18905 8126 1 13 . 1 1 114 114 SER HA H 114 4.376 4.376 4.571 -0.195 18905 8127 1 13 . 1 1 114 114 SER CA C 114 55.596 55.596 58.373 -2.777 18905 8128 1 13 . 1 1 114 114 SER CB C 114 61.009 61.009 63.461 -2.451 18905 8129 1 13 . 1 1 114 114 SER H H 114 8.124 8.124 8.317 -0.193 18905 8130 1 13 . 1 1 119 119 ARG N N 119 122.813 122.813 125.401 -2.588 18905 8131 1 13 . 1 1 119 119 ARG HA H 119 4.294 4.294 4.540 -0.246 18905 8132 1 13 . 1 1 119 119 ARG C C 119 173.654 173.654 174.234 -0.580 18905 8133 1 13 . 1 1 119 119 ARG CA C 119 53.701 53.701 56.422 -2.721 18905 8134 1 13 . 1 1 119 119 ARG CB C 119 28.140 28.140 29.548 -1.408 18905 8135 1 13 . 1 1 119 119 ARG H H 119 8.246 8.246 8.417 -0.171 18905 8136 1 13 . 1 1 120 120 ILE N N 120 121.624 121.624 122.976 -1.352 18905 8137 1 13 . 1 1 120 120 ILE HA H 120 4.099 4.099 4.725 -0.626 18905 8138 1 13 . 1 1 120 120 ILE C C 120 173.651 173.651 175.429 -1.778 18905 8139 1 13 . 1 1 120 120 ILE CA C 120 58.593 58.593 60.330 -1.737 18905 8140 1 13 . 1 1 120 120 ILE CB C 120 36.091 36.091 40.902 -4.811 18905 8141 1 13 . 1 1 120 120 ILE H H 120 8.084 8.084 8.496 -0.412 18905 8142 1 13 . 1 1 121 121 SER N N 121 119.953 119.953 117.591 2.362 18905 8143 1 13 . 1 1 121 121 SER HA H 121 4.378 4.378 5.348 -0.970 18905 8144 1 13 . 1 1 121 121 SER C C 121 170.780 170.780 172.612 -1.832 18905 8145 1 13 . 1 1 121 121 SER CA C 121 55.506 55.506 57.794 -2.288 18905 8146 1 13 . 1 1 121 121 SER CB C 121 61.571 61.571 65.094 -3.523 18905 8147 1 13 . 1 1 121 121 SER H H 121 8.300 8.300 8.841 -0.541 18905 8148 1 13 . 1 1 123 123 ALA N N 123 119.892 119.892 121.530 -1.638 18905 8149 1 13 . 1 1 123 123 ALA HA H 123 4.102 4.102 4.430 -0.328 18905 8150 1 13 . 1 1 123 123 ALA CA C 123 58.473 58.473 52.555 5.918 18905 8151 1 13 . 1 1 123 123 ALA H H 123 8.305 8.305 8.323 -0.018 18905 8152 1 13 . 1 1 124 124 SER N N 124 122.264 122.264 113.798 8.466 18905 8153 1 13 . 1 1 124 124 SER HA H 124 4.384 4.384 4.816 -0.432 18905 8154 1 13 . 1 1 124 124 SER CA C 124 55.632 55.632 58.000 -2.368 18905 8155 1 13 . 1 1 124 124 SER CB C 124 60.925 60.925 64.897 -3.972 18905 8156 1 13 . 1 1 124 124 SER H H 124 8.353 8.353 8.007 0.346 18905 8157 1 13 . 1 1 125 125 VAL N N 125 121.433 121.433 120.586 0.847 18905 8158 1 13 . 1 1 125 125 VAL HA H 125 4.073 4.073 4.371 -0.298 18905 8159 1 13 . 1 1 125 125 VAL C C 125 173.240 173.240 175.432 -2.192 18905 8160 1 13 . 1 1 125 125 VAL CA C 125 59.588 59.588 62.280 -2.692 18905 8161 1 13 . 1 1 125 125 VAL CB C 125 30.198 30.198 34.032 -3.834 18905 8162 1 13 . 1 1 125 125 VAL H H 125 8.014 8.014 8.182 -0.168 18905 8163 1 13 . 1 1 126 126 ALA N N 126 127.185 127.185 127.356 -0.171 18905 8164 1 13 . 1 1 126 126 ALA HA H 126 4.278 4.278 4.665 -0.387 18905 8165 1 13 . 1 1 126 126 ALA C C 126 175.118 175.118 178.060 -2.942 18905 8166 1 13 . 1 1 126 126 ALA CA C 126 49.919 49.919 52.211 -2.292 18905 8167 1 13 . 1 1 126 126 ALA CB C 126 16.532 16.532 19.575 -3.043 18905 8168 1 13 . 1 1 126 126 ALA H H 126 8.277 8.277 8.541 -0.264 18905 8169 1 13 . 1 1 127 127 SER N N 127 115.148 115.148 116.825 -1.677 18905 8170 1 13 . 1 1 127 127 SER HA H 127 4.420 4.420 4.329 0.091 18905 8171 1 13 . 1 1 127 127 SER C C 127 172.168 172.168 174.252 -2.084 18905 8172 1 13 . 1 1 127 127 SER CA C 127 55.770 55.770 58.467 -2.697 18905 8173 1 13 . 1 1 127 127 SER CB C 127 58.992 58.992 62.448 -3.456 18905 8174 1 13 . 1 1 127 127 SER H H 127 8.249 8.249 8.459 -0.210 18905 8175 1 13 . 1 1 128 128 THR N N 128 115.498 115.498 118.884 -3.386 18905 8176 1 13 . 1 1 128 128 THR C C 128 171.392 171.392 173.737 -2.345 18905 8177 1 13 . 1 1 128 128 THR CA C 128 59.083 59.083 63.572 -4.489 18905 8178 1 13 . 1 1 128 128 THR H H 128 8.050 8.050 7.636 0.414 18905 8179 1 13 . 1 1 129 129 ALA N N 129 126.543 126.543 128.157 -1.614 18905 8180 1 13 . 1 1 129 129 ALA HA H 129 4.236 4.236 4.661 -0.425 18905 8181 1 13 . 1 1 129 129 ALA C C 129 174.650 174.650 176.172 -1.522 18905 8182 1 13 . 1 1 129 129 ALA CA C 129 49.794 49.794 51.541 -1.747 18905 8183 1 13 . 1 1 129 129 ALA CB C 129 16.538 16.538 20.557 -4.019 18905 8184 1 13 . 1 1 129 129 ALA H H 129 8.160 8.160 8.165 -0.005 18905 8185 1 13 . 1 1 130 130 ILE N N 130 120.371 120.371 115.467 4.904 18905 8186 1 13 . 1 1 130 130 ILE HA H 130 4.099 4.099 4.753 -0.654 18905 8187 1 13 . 1 1 130 130 ILE C C 130 173.651 173.651 176.325 -2.674 18905 8188 1 13 . 1 1 130 130 ILE CA C 130 58.513 58.513 61.484 -2.971 18905 8189 1 13 . 1 1 130 130 ILE CB C 130 36.091 36.091 39.075 -2.984 18905 8190 1 13 . 1 1 130 130 ILE H H 130 8.043 8.043 8.968 -0.925 18905 8191 1 14 . 1 1 4 4 GLY N N 4 110.117 110.117 107.989 2.128 18905 8192 1 14 . 1 1 4 4 GLY C C 4 171.413 171.413 172.776 -1.363 18905 8193 1 14 . 1 1 4 4 GLY CA C 4 42.667 42.667 44.527 -1.860 18905 8194 1 14 . 1 1 4 4 GLY H H 4 8.391 8.391 8.769 -0.378 18905 8195 1 14 . 1 1 5 5 VAL N N 5 119.501 119.501 117.963 1.538 18905 8196 1 14 . 1 1 5 5 VAL HA H 5 4.018 4.018 4.458 -0.440 18905 8197 1 14 . 1 1 5 5 VAL C C 5 173.738 173.738 174.808 -1.070 18905 8198 1 14 . 1 1 5 5 VAL CA C 5 59.923 59.923 61.388 -1.464 18905 8199 1 14 . 1 1 5 5 VAL CB C 5 30.111 30.111 34.010 -3.899 18905 8200 1 14 . 1 1 5 5 VAL H H 5 7.951 7.951 8.271 -0.320 18905 8201 1 14 . 1 1 6 6 LEU N N 6 125.484 125.484 126.795 -1.311 18905 8202 1 14 . 1 1 6 6 LEU HA H 6 4.280 4.280 4.761 -0.481 18905 8203 1 14 . 1 1 6 6 LEU C C 6 174.708 174.708 175.991 -1.283 18905 8204 1 14 . 1 1 6 6 LEU CA C 6 52.535 52.535 55.194 -2.659 18905 8205 1 14 . 1 1 6 6 LEU CB C 6 39.586 39.586 42.048 -2.462 18905 8206 1 14 . 1 1 6 6 LEU H H 6 8.248 8.248 8.595 -0.347 18905 8207 1 14 . 1 1 7 7 ALA N N 7 124.939 124.939 127.017 -2.078 18905 8208 1 14 . 1 1 7 7 ALA HA H 7 4.234 4.234 4.676 -0.442 18905 8209 1 14 . 1 1 7 7 ALA C C 7 174.865 174.865 175.570 -0.705 18905 8210 1 14 . 1 1 7 7 ALA CA C 7 50.136 50.136 51.979 -1.843 18905 8211 1 14 . 1 1 7 7 ALA CB C 7 16.500 16.500 20.628 -4.128 18905 8212 1 14 . 1 1 7 7 ALA H H 7 8.241 8.241 8.397 -0.156 18905 8213 1 14 . 1 1 8 8 SER N N 8 117.901 117.901 115.771 2.130 18905 8214 1 14 . 1 1 8 8 SER HA H 8 4.377 4.377 4.779 -0.402 18905 8215 1 14 . 1 1 8 8 SER C C 8 172.221 172.221 172.458 -0.237 18905 8216 1 14 . 1 1 8 8 SER CA C 8 56.008 56.008 58.209 -2.201 18905 8217 1 14 . 1 1 8 8 SER CB C 8 61.008 61.008 63.739 -2.731 18905 8218 1 14 . 1 1 8 8 SER H H 8 8.347 8.347 8.687 -0.340 18905 8219 1 14 . 1 1 9 9 GLN N N 9 122.019 122.019 122.976 -0.957 18905 8220 1 14 . 1 1 9 9 GLN HA H 9 4.302 4.302 4.940 -0.638 18905 8221 1 14 . 1 1 9 9 GLN C C 9 173.160 173.160 173.946 -0.786 18905 8222 1 14 . 1 1 9 9 GLN CA C 9 53.470 53.470 55.236 -1.766 18905 8223 1 14 . 1 1 9 9 GLN CB C 9 26.663 26.663 31.029 -4.366 18905 8224 1 14 . 1 1 9 9 GLN H H 9 8.240 8.240 8.661 -0.421 18905 8225 1 14 . 1 1 10 10 ALA N N 10 124.490 124.490 125.293 -0.803 18905 8226 1 14 . 1 1 10 10 ALA HA H 10 4.238 4.238 4.658 -0.420 18905 8227 1 14 . 1 1 10 10 ALA C C 10 175.142 175.142 175.311 -0.169 18905 8228 1 14 . 1 1 10 10 ALA CA C 10 50.121 50.121 51.714 -1.593 18905 8229 1 14 . 1 1 10 10 ALA CB C 10 16.322 16.322 20.340 -4.018 18905 8230 1 14 . 1 1 10 10 ALA H H 10 8.132 8.132 8.494 -0.362 18905 8231 1 14 . 1 1 11 11 LEU N N 11 120.785 120.785 121.740 -0.955 18905 8232 1 14 . 1 1 11 11 LEU HA H 11 4.278 4.278 5.113 -0.835 18905 8233 1 14 . 1 1 11 11 LEU C C 11 174.929 174.929 175.488 -0.559 18905 8234 1 14 . 1 1 11 11 LEU CA C 11 52.612 52.612 54.535 -1.923 18905 8235 1 14 . 1 1 11 11 LEU CB C 11 39.647 39.647 44.934 -5.287 18905 8236 1 14 . 1 1 11 11 LEU H H 11 8.088 8.088 8.738 -0.650 18905 8237 1 14 . 1 1 12 12 SER N N 12 116.121 116.121 116.709 -0.588 18905 8238 1 14 . 1 1 12 12 SER C C 12 171.977 171.977 172.726 -0.749 18905 8239 1 14 . 1 1 12 12 SER CA C 12 55.621 55.621 57.998 -2.377 18905 8240 1 14 . 1 1 12 12 SER CB C 12 56.041 56.041 64.056 -8.015 18905 8241 1 14 . 1 1 12 12 SER H H 12 8.170 8.170 8.469 -0.299 18905 8242 1 14 . 1 1 13 13 GLN N N 13 122.139 122.139 122.055 0.084 18905 8243 1 14 . 1 1 13 13 GLN HA H 13 4.312 4.312 5.095 -0.783 18905 8244 1 14 . 1 1 13 13 GLN CA C 13 54.059 54.059 55.059 -1.000 18905 8245 1 14 . 1 1 13 13 GLN H H 13 8.368 8.368 8.858 -0.490 18905 8246 1 14 . 1 1 14 14 GLY N N 14 109.259 109.259 110.436 -1.177 18905 8247 1 14 . 1 1 14 14 GLY CA C 14 42.970 42.970 44.784 -1.814 18905 8248 1 14 . 1 1 14 14 GLY H H 14 8.378 8.378 8.869 -0.491 18905 8249 1 14 . 1 1 15 15 SER N N 15 115.486 115.486 115.153 0.333 18905 8250 1 14 . 1 1 15 15 SER HA H 15 4.378 4.378 4.791 -0.413 18905 8251 1 14 . 1 1 15 15 SER CA C 15 55.853 55.853 57.756 -1.903 18905 8252 1 14 . 1 1 15 15 SER CB C 15 59.406 59.406 66.611 -7.205 18905 8253 1 14 . 1 1 15 15 SER H H 15 8.085 8.085 8.707 -0.622 18905 8254 1 14 . 1 1 16 16 GLU N N 16 120.501 120.501 120.518 -0.017 18905 8255 1 14 . 1 1 16 16 GLU HA H 16 4.664 4.664 4.647 0.017 18905 8256 1 14 . 1 1 16 16 GLU CA C 16 50.628 50.628 54.229 -3.601 18905 8257 1 14 . 1 1 16 16 GLU CB C 16 36.442 36.442 29.425 7.016 18905 8258 1 14 . 1 1 16 16 GLU H H 16 8.376 8.376 8.538 -0.162 18905 8259 1 14 . 1 1 17 17 PRO CA C 17 65.700 65.700 62.955 2.745 18905 8260 1 14 . 1 1 22 22 ALA N N 22 124.130 124.130 122.303 1.827 18905 8261 1 14 . 1 1 22 22 ALA HA H 22 4.178 4.178 4.571 -0.393 18905 8262 1 14 . 1 1 22 22 ALA CA C 22 49.746 49.746 52.414 -2.668 18905 8263 1 14 . 1 1 22 22 ALA CB C 22 16.789 16.789 21.001 -4.212 18905 8264 1 14 . 1 1 22 22 ALA H H 22 8.096 8.096 7.570 0.526 18905 8265 1 14 . 1 1 23 23 ASN N N 23 117.516 117.516 118.833 -1.317 18905 8266 1 14 . 1 1 23 23 ASN HA H 23 4.672 4.672 4.865 -0.193 18905 8267 1 14 . 1 1 23 23 ASN C C 23 171.179 171.179 173.310 -2.131 18905 8268 1 14 . 1 1 23 23 ASN CA C 23 50.084 50.084 53.441 -3.357 18905 8269 1 14 . 1 1 23 23 ASN CB C 23 36.737 36.737 39.537 -2.800 18905 8270 1 14 . 1 1 23 23 ASN H H 23 8.037 8.037 8.763 -0.726 18905 8271 1 14 . 1 1 24 24 ASP N N 24 118.387 118.387 116.623 1.764 18905 8272 1 14 . 1 1 24 24 ASP HA H 24 4.676 4.676 5.166 -0.490 18905 8273 1 14 . 1 1 24 24 ASP CA C 24 50.660 50.660 53.763 -3.103 18905 8274 1 14 . 1 1 24 24 ASP CB C 24 40.670 40.670 43.598 -2.928 18905 8275 1 14 . 1 1 24 24 ASP H H 24 8.198 8.198 7.993 0.205 18905 8276 1 14 . 1 1 25 25 THR N N 25 114.224 114.224 117.052 -2.828 18905 8277 1 14 . 1 1 25 25 THR HA H 25 5.275 5.275 4.709 0.566 18905 8278 1 14 . 1 1 25 25 THR CA C 25 59.162 59.162 61.594 -2.432 18905 8279 1 14 . 1 1 25 25 THR CB C 25 68.849 68.849 71.911 -3.062 18905 8280 1 14 . 1 1 25 25 THR H H 25 8.090 8.090 8.489 -0.399 18905 8281 1 14 . 1 1 26 26 ILE N N 26 126.637 126.637 123.882 2.755 18905 8282 1 14 . 1 1 26 26 ILE HA H 26 4.650 4.650 4.308 0.342 18905 8283 1 14 . 1 1 26 26 ILE C C 26 171.500 171.500 174.121 -2.621 18905 8284 1 14 . 1 1 26 26 ILE CA C 26 56.930 56.930 60.372 -3.442 18905 8285 1 14 . 1 1 26 26 ILE CB C 26 38.159 38.159 41.231 -3.072 18905 8286 1 14 . 1 1 26 26 ILE H H 26 9.314 9.314 8.844 0.470 18905 8287 1 14 . 1 1 27 27 ILE N N 27 126.764 126.764 123.259 3.505 18905 8288 1 14 . 1 1 27 27 ILE HA H 27 4.955 4.955 4.637 0.318 18905 8289 1 14 . 1 1 27 27 ILE C C 27 171.462 171.462 173.567 -2.105 18905 8290 1 14 . 1 1 27 27 ILE CA C 27 56.909 56.909 59.549 -2.640 18905 8291 1 14 . 1 1 27 27 ILE CB C 27 38.397 38.397 42.242 -3.845 18905 8292 1 14 . 1 1 27 27 ILE H H 27 9.280 9.280 7.907 1.373 18905 8293 1 14 . 1 1 28 28 LEU N N 28 125.666 125.666 127.028 -1.362 18905 8294 1 14 . 1 1 28 28 LEU HA H 28 4.858 4.858 4.878 -0.020 18905 8295 1 14 . 1 1 28 28 LEU C C 28 172.714 172.714 176.496 -3.782 18905 8296 1 14 . 1 1 28 28 LEU CA C 28 50.153 50.153 52.975 -2.822 18905 8297 1 14 . 1 1 28 28 LEU CB C 28 39.943 39.943 42.474 -2.531 18905 8298 1 14 . 1 1 28 28 LEU H H 28 8.791 8.791 8.703 0.088 18905 8299 1 14 . 1 1 29 29 ARG N N 29 119.656 119.656 120.430 -0.774 18905 8300 1 14 . 1 1 29 29 ARG HA H 29 5.023 5.023 4.726 0.297 18905 8301 1 14 . 1 1 29 29 ARG C C 29 172.927 172.927 176.158 -3.231 18905 8302 1 14 . 1 1 29 29 ARG CA C 29 51.933 51.933 54.783 -2.850 18905 8303 1 14 . 1 1 29 29 ARG CB C 29 31.298 31.298 33.214 -1.916 18905 8304 1 14 . 1 1 29 29 ARG H H 29 8.742 8.742 8.721 0.021 18905 8305 1 14 . 1 1 30 30 ASN N N 30 115.104 115.104 115.855 -0.751 18905 8306 1 14 . 1 1 30 30 ASN HA H 30 4.319 4.319 4.394 -0.075 18905 8307 1 14 . 1 1 30 30 ASN C C 30 172.025 172.025 174.367 -2.342 18905 8308 1 14 . 1 1 30 30 ASN CA C 30 51.550 51.550 54.162 -2.612 18905 8309 1 14 . 1 1 30 30 ASN CB C 30 35.656 35.656 37.986 -2.330 18905 8310 1 14 . 1 1 30 30 ASN H H 30 8.292 8.292 8.797 -0.505 18905 8311 1 14 . 1 1 31 31 LEU N N 31 113.394 113.394 116.900 -3.506 18905 8312 1 14 . 1 1 31 31 LEU HA H 31 3.915 3.915 4.348 -0.433 18905 8313 1 14 . 1 1 31 31 LEU C C 31 175.815 175.815 177.684 -1.869 18905 8314 1 14 . 1 1 31 31 LEU CA C 31 52.148 52.148 55.741 -3.593 18905 8315 1 14 . 1 1 31 31 LEU CB C 31 39.876 39.876 42.673 -2.797 18905 8316 1 14 . 1 1 31 31 LEU H H 31 7.602 7.602 7.853 -0.251 18905 8317 1 14 . 1 1 32 32 ASN N N 32 123.357 123.357 117.954 5.403 18905 8318 1 14 . 1 1 32 32 ASN HA H 32 4.476 4.476 5.175 -0.699 18905 8319 1 14 . 1 1 32 32 ASN CA C 32 48.784 48.784 51.009 -2.225 18905 8320 1 14 . 1 1 32 32 ASN CB C 32 36.284 36.284 39.661 -3.377 18905 8321 1 14 . 1 1 32 32 ASN H H 32 9.816 9.816 8.431 1.385 18905 8322 1 14 . 1 1 33 33 PRO HA H 33 4.339 4.339 4.609 -0.270 18905 8323 1 14 . 1 1 33 33 PRO CA C 33 61.514 61.514 64.777 -3.263 18905 8324 1 14 . 1 1 33 33 PRO CB C 33 30.320 30.320 31.954 -1.634 18905 8325 1 14 . 1 1 34 34 HIS N N 34 111.187 111.187 113.586 -2.399 18905 8326 1 14 . 1 1 34 34 HIS HA H 34 4.402 4.402 4.792 -0.390 18905 8327 1 14 . 1 1 34 34 HIS CA C 34 53.125 53.125 55.569 -2.444 18905 8328 1 14 . 1 1 34 34 HIS CB C 34 25.760 25.760 30.833 -5.073 18905 8329 1 14 . 1 1 34 34 HIS H H 34 8.856 8.856 8.379 0.477 18905 8330 1 14 . 1 1 35 35 SER N N 35 118.219 118.219 116.371 1.848 18905 8331 1 14 . 1 1 35 35 SER HA H 35 4.718 4.718 4.436 0.282 18905 8332 1 14 . 1 1 35 35 SER CB C 35 60.222 60.222 63.872 -3.650 18905 8333 1 14 . 1 1 35 35 SER H H 35 8.262 8.262 7.732 0.530 18905 8334 1 14 . 1 1 36 36 THR N N 36 114.157 114.157 111.411 2.746 18905 8335 1 14 . 1 1 36 36 THR HA H 36 4.545 4.545 4.796 -0.251 18905 8336 1 14 . 1 1 36 36 THR CA C 36 56.508 56.508 59.962 -3.454 18905 8337 1 14 . 1 1 36 36 THR CB C 36 70.051 70.051 71.924 -1.873 18905 8338 1 14 . 1 1 36 36 THR H H 36 8.451 8.451 8.079 0.372 18905 8339 1 14 . 1 1 37 37 MET N N 37 119.815 119.815 122.084 -2.269 18905 8340 1 14 . 1 1 37 37 MET HA H 37 3.943 3.943 4.103 -0.160 18905 8341 1 14 . 1 1 37 37 MET CA C 37 56.204 56.204 59.135 -2.930 18905 8342 1 14 . 1 1 37 37 MET CB C 37 28.959 28.959 32.458 -3.499 18905 8343 1 14 . 1 1 37 37 MET H H 37 8.928 8.928 8.972 -0.044 18905 8344 1 14 . 1 1 38 38 ASP N N 38 115.357 115.357 118.414 -3.057 18905 8345 1 14 . 1 1 38 38 ASP HA H 38 4.301 4.301 4.439 -0.138 18905 8346 1 14 . 1 1 38 38 ASP CA C 38 54.750 54.750 57.694 -2.944 18905 8347 1 14 . 1 1 38 38 ASP CB C 38 37.934 37.934 40.116 -2.182 18905 8348 1 14 . 1 1 38 38 ASP H H 38 8.096 8.096 8.803 -0.707 18905 8349 1 14 . 1 1 39 39 SER N N 39 118.933 118.933 116.054 2.879 18905 8350 1 14 . 1 1 39 39 SER HA H 39 4.253 4.253 4.143 0.110 18905 8351 1 14 . 1 1 39 39 SER C C 39 174.818 174.818 175.671 -0.853 18905 8352 1 14 . 1 1 39 39 SER CA C 39 58.767 58.767 61.686 -2.919 18905 8353 1 14 . 1 1 39 39 SER CB C 39 61.631 61.631 63.039 -1.408 18905 8354 1 14 . 1 1 39 39 SER H H 39 8.088 8.088 7.738 0.350 18905 8355 1 14 . 1 1 40 40 ILE N N 40 124.376 124.376 120.116 4.260 18905 8356 1 14 . 1 1 40 40 ILE HA H 40 3.538 3.538 3.911 -0.373 18905 8357 1 14 . 1 1 40 40 ILE C C 40 174.358 174.358 177.106 -2.748 18905 8358 1 14 . 1 1 40 40 ILE CA C 40 62.936 62.936 64.037 -1.101 18905 8359 1 14 . 1 1 40 40 ILE CB C 40 35.725 35.725 38.096 -2.371 18905 8360 1 14 . 1 1 40 40 ILE H H 40 8.009 8.009 7.878 0.131 18905 8361 1 14 . 1 1 41 41 LEU N N 41 117.914 117.914 120.744 -2.830 18905 8362 1 14 . 1 1 41 41 LEU HA H 41 3.818 3.818 3.890 -0.072 18905 8363 1 14 . 1 1 41 41 LEU C C 41 178.292 178.292 179.262 -0.970 18905 8364 1 14 . 1 1 41 41 LEU CA C 41 55.496 55.496 58.900 -3.404 18905 8365 1 14 . 1 1 41 41 LEU CB C 41 38.574 38.574 41.129 -2.555 18905 8366 1 14 . 1 1 41 41 LEU H H 41 8.574 8.574 7.646 0.928 18905 8367 1 14 . 1 1 42 42 GLY N N 42 105.053 105.053 105.039 0.014 18905 8368 1 14 . 1 1 42 42 GLY C C 42 173.318 173.318 175.305 -1.987 18905 8369 1 14 . 1 1 42 42 GLY CA C 42 44.283 44.283 46.680 -2.397 18905 8370 1 14 . 1 1 42 42 GLY H H 42 8.207 8.207 8.245 -0.038 18905 8371 1 14 . 1 1 43 43 ALA N N 43 122.411 122.411 122.566 -0.155 18905 8372 1 14 . 1 1 43 43 ALA HA H 43 4.245 4.245 4.080 0.165 18905 8373 1 14 . 1 1 43 43 ALA C C 43 176.200 176.200 178.169 -1.969 18905 8374 1 14 . 1 1 43 43 ALA CA C 43 51.148 51.148 54.163 -3.015 18905 8375 1 14 . 1 1 43 43 ALA CB C 43 17.381 17.381 19.376 -1.995 18905 8376 1 14 . 1 1 43 43 ALA H H 43 7.571 7.571 7.511 0.060 18905 8377 1 14 . 1 1 44 44 LEU N N 44 113.121 113.121 115.914 -2.793 18905 8378 1 14 . 1 1 44 44 LEU HA H 44 4.514 4.514 4.616 -0.102 18905 8379 1 14 . 1 1 44 44 LEU C C 44 174.187 174.187 178.575 -4.388 18905 8380 1 14 . 1 1 44 44 LEU CA C 44 52.247 52.247 54.499 -2.252 18905 8381 1 14 . 1 1 44 44 LEU CB C 44 40.210 40.210 42.434 -2.224 18905 8382 1 14 . 1 1 44 44 LEU H H 44 7.533 7.533 7.591 -0.058 18905 8383 1 14 . 1 1 45 45 ALA N N 45 123.574 123.574 124.876 -1.302 18905 8384 1 14 . 1 1 45 45 ALA HA H 45 4.313 4.313 4.056 0.257 18905 8385 1 14 . 1 1 45 45 ALA CA C 45 53.187 53.187 56.738 -3.551 18905 8386 1 14 . 1 1 45 45 ALA CB C 45 14.134 14.134 16.213 -2.079 18905 8387 1 14 . 1 1 45 45 ALA H H 45 7.398 7.398 8.418 -1.020 18905 8388 1 14 . 1 1 46 46 PRO HA H 46 4.043 4.043 4.236 -0.193 18905 8389 1 14 . 1 1 46 46 PRO CA C 46 61.784 61.784 64.159 -2.374 18905 8390 1 14 . 1 1 46 46 PRO CB C 46 27.999 27.999 31.168 -3.169 18905 8391 1 14 . 1 1 47 47 TYR N N 47 114.404 114.404 117.589 -3.185 18905 8392 1 14 . 1 1 47 47 TYR HA H 47 4.527 4.527 4.753 -0.226 18905 8393 1 14 . 1 1 47 47 TYR CA C 47 54.406 54.406 55.921 -1.515 18905 8394 1 14 . 1 1 47 47 TYR CB C 47 37.537 37.537 38.697 -1.160 18905 8395 1 14 . 1 1 47 47 TYR H H 47 7.897 7.897 7.655 0.242 18905 8396 1 14 . 1 1 48 48 ALA N N 48 119.845 119.845 120.612 -0.767 18905 8397 1 14 . 1 1 48 48 ALA HA H 48 4.360 4.360 4.606 -0.246 18905 8398 1 14 . 1 1 48 48 ALA C C 48 171.938 171.938 175.703 -3.765 18905 8399 1 14 . 1 1 48 48 ALA CA C 48 49.129 49.129 51.326 -2.197 18905 8400 1 14 . 1 1 48 48 ALA CB C 48 19.614 19.614 22.120 -2.506 18905 8401 1 14 . 1 1 48 48 ALA H H 48 8.083 8.083 7.324 0.759 18905 8402 1 14 . 1 1 49 49 VAL N N 49 122.528 122.528 122.588 -0.060 18905 8403 1 14 . 1 1 49 49 VAL HA H 49 3.904 3.904 4.492 -0.588 18905 8404 1 14 . 1 1 49 49 VAL C C 49 172.490 172.490 174.755 -2.265 18905 8405 1 14 . 1 1 49 49 VAL CA C 49 60.373 60.373 61.644 -1.271 18905 8406 1 14 . 1 1 49 49 VAL CB C 49 28.257 28.257 30.892 -2.635 18905 8407 1 14 . 1 1 49 49 VAL H H 49 8.414 8.414 8.407 0.007 18905 8408 1 14 . 1 1 50 50 LEU N N 50 127.924 127.924 123.340 4.584 18905 8409 1 14 . 1 1 50 50 LEU HA H 50 4.650 4.650 5.044 -0.394 18905 8410 1 14 . 1 1 50 50 LEU C C 50 172.488 172.488 175.134 -2.646 18905 8411 1 14 . 1 1 50 50 LEU CA C 50 50.523 50.523 54.069 -3.546 18905 8412 1 14 . 1 1 50 50 LEU CB C 50 42.647 42.647 43.638 -0.991 18905 8413 1 14 . 1 1 50 50 LEU H H 50 7.904 7.904 7.922 -0.018 18905 8414 1 14 . 1 1 51 51 SER N N 51 114.999 114.999 114.133 0.866 18905 8415 1 14 . 1 1 51 51 SER HA H 51 4.783 4.783 4.835 -0.052 18905 8416 1 14 . 1 1 51 51 SER C C 51 172.827 172.827 174.519 -1.692 18905 8417 1 14 . 1 1 51 51 SER CA C 51 53.708 53.708 57.525 -3.817 18905 8418 1 14 . 1 1 51 51 SER CB C 51 63.424 63.424 65.900 -2.476 18905 8419 1 14 . 1 1 51 51 SER H H 51 8.623 8.623 8.855 -0.232 18905 8420 1 14 . 1 1 52 52 SER N N 52 118.355 118.355 114.691 3.664 18905 8421 1 14 . 1 1 52 52 SER HA H 52 4.301 4.301 4.264 0.037 18905 8422 1 14 . 1 1 52 52 SER C C 52 173.242 173.242 175.482 -2.240 18905 8423 1 14 . 1 1 52 52 SER CA C 52 58.709 58.709 60.125 -1.416 18905 8424 1 14 . 1 1 52 52 SER CB C 52 59.826 59.826 62.704 -2.878 18905 8425 1 14 . 1 1 52 52 SER H H 52 9.117 9.117 8.670 0.447 18905 8426 1 14 . 1 1 53 53 SER N N 53 114.926 114.926 116.105 -1.179 18905 8427 1 14 . 1 1 53 53 SER HA H 53 4.292 4.292 4.335 -0.043 18905 8428 1 14 . 1 1 53 53 SER CA C 53 57.882 57.882 60.313 -2.431 18905 8429 1 14 . 1 1 53 53 SER CB C 53 60.220 60.220 63.660 -3.440 18905 8430 1 14 . 1 1 53 53 SER H H 53 8.014 8.014 7.880 0.134 18905 8431 1 14 . 1 1 54 54 ASN N N 54 116.432 116.432 117.838 -1.406 18905 8432 1 14 . 1 1 54 54 ASN HA H 54 4.914 4.914 4.612 0.302 18905 8433 1 14 . 1 1 54 54 ASN C C 54 170.744 170.744 175.732 -4.988 18905 8434 1 14 . 1 1 54 54 ASN CA C 54 52.054 52.054 55.340 -3.285 18905 8435 1 14 . 1 1 54 54 ASN CB C 54 38.952 38.952 39.058 -0.106 18905 8436 1 14 . 1 1 54 54 ASN H H 54 7.996 7.996 7.830 0.166 18905 8437 1 14 . 1 1 55 55 VAL N N 55 118.877 118.877 119.833 -0.956 18905 8438 1 14 . 1 1 55 55 VAL HA H 55 4.891 4.891 4.212 0.679 18905 8439 1 14 . 1 1 55 55 VAL C C 55 171.238 171.238 175.648 -4.410 18905 8440 1 14 . 1 1 55 55 VAL CA C 55 58.709 58.709 63.509 -4.800 18905 8441 1 14 . 1 1 55 55 VAL CB C 55 31.652 31.652 31.284 0.368 18905 8442 1 14 . 1 1 55 55 VAL H H 55 7.421 7.421 7.386 0.035 18905 8443 1 14 . 1 1 56 56 ARG N N 56 125.757 125.757 126.198 -0.441 18905 8444 1 14 . 1 1 56 56 ARG HA H 56 4.708 4.708 4.692 0.016 18905 8445 1 14 . 1 1 56 56 ARG C C 56 172.321 172.321 174.317 -1.996 18905 8446 1 14 . 1 1 56 56 ARG CA C 56 51.878 51.878 53.991 -2.113 18905 8447 1 14 . 1 1 56 56 ARG CB C 56 30.211 30.211 34.389 -4.178 18905 8448 1 14 . 1 1 56 56 ARG H H 56 9.011 9.011 8.816 0.195 18905 8449 1 14 . 1 1 57 57 VAL N N 57 125.646 125.646 123.191 2.455 18905 8450 1 14 . 1 1 57 57 VAL HA H 57 3.878 3.878 4.203 -0.325 18905 8451 1 14 . 1 1 57 57 VAL C C 57 172.129 172.129 174.167 -2.038 18905 8452 1 14 . 1 1 57 57 VAL CA C 57 59.043 59.043 60.761 -1.718 18905 8453 1 14 . 1 1 57 57 VAL CB C 57 30.019 30.019 34.066 -4.046 18905 8454 1 14 . 1 1 57 57 VAL H H 57 8.794 8.794 8.378 0.416 18905 8455 1 14 . 1 1 58 58 ILE N N 58 127.547 127.547 130.165 -2.618 18905 8456 1 14 . 1 1 58 58 ILE HA H 58 4.049 4.049 4.241 -0.192 18905 8457 1 14 . 1 1 58 58 ILE C C 58 172.672 172.672 174.892 -2.220 18905 8458 1 14 . 1 1 58 58 ILE CA C 58 57.246 57.246 60.084 -2.837 18905 8459 1 14 . 1 1 58 58 ILE CB C 58 32.839 32.839 36.693 -3.854 18905 8460 1 14 . 1 1 58 58 ILE H H 58 7.259 7.259 8.338 -1.079 18905 8461 1 14 . 1 1 59 59 LYS N N 59 127.231 127.231 125.507 1.724 18905 8462 1 14 . 1 1 59 59 LYS HA H 59 4.532 4.532 4.831 -0.299 18905 8463 1 14 . 1 1 59 59 LYS C C 59 173.119 173.119 175.485 -2.366 18905 8464 1 14 . 1 1 59 59 LYS CA C 59 52.444 52.444 54.006 -1.562 18905 8465 1 14 . 1 1 59 59 LYS CB C 59 32.374 32.374 34.777 -2.403 18905 8466 1 14 . 1 1 59 59 LYS H H 59 8.571 8.571 8.320 0.251 18905 8467 1 14 . 1 1 60 60 ASP N N 60 123.232 123.232 119.878 3.354 18905 8468 1 14 . 1 1 60 60 ASP HA H 60 4.496 4.496 4.517 -0.021 18905 8469 1 14 . 1 1 60 60 ASP C C 60 174.118 174.118 176.976 -2.858 18905 8470 1 14 . 1 1 60 60 ASP CA C 60 50.786 50.786 53.852 -3.066 18905 8471 1 14 . 1 1 60 60 ASP CB C 60 40.058 40.058 42.479 -2.421 18905 8472 1 14 . 1 1 60 60 ASP H H 60 8.527 8.527 8.433 0.094 18905 8473 1 14 . 1 1 61 61 LYS N N 61 125.977 125.977 123.381 2.596 18905 8474 1 14 . 1 1 61 61 LYS HA H 61 3.918 3.918 4.252 -0.334 18905 8475 1 14 . 1 1 61 61 LYS C C 61 174.696 174.696 177.392 -2.696 18905 8476 1 14 . 1 1 61 61 LYS CA C 61 56.017 56.017 58.036 -2.019 18905 8477 1 14 . 1 1 61 61 LYS CB C 61 29.813 29.813 32.675 -2.862 18905 8478 1 14 . 1 1 61 61 LYS H H 61 8.770 8.770 8.635 0.135 18905 8479 1 14 . 1 1 62 62 GLN N N 62 116.732 116.732 118.446 -1.714 18905 8480 1 14 . 1 1 62 62 GLN HA H 62 4.252 4.252 4.127 0.125 18905 8481 1 14 . 1 1 62 62 GLN C C 62 174.793 174.793 177.364 -2.571 18905 8482 1 14 . 1 1 62 62 GLN CA C 62 55.001 55.001 57.864 -2.863 18905 8483 1 14 . 1 1 62 62 GLN CB C 62 26.516 26.516 29.173 -2.657 18905 8484 1 14 . 1 1 62 62 GLN H H 62 8.538 8.538 8.328 0.210 18905 8485 1 14 . 1 1 63 63 THR N N 63 108.519 108.519 110.917 -2.398 18905 8486 1 14 . 1 1 63 63 THR HA H 63 4.265 4.265 4.392 -0.127 18905 8487 1 14 . 1 1 63 63 THR CA C 63 59.302 59.302 60.618 -1.316 18905 8488 1 14 . 1 1 63 63 THR CB C 63 67.891 67.891 70.117 -2.225 18905 8489 1 14 . 1 1 63 63 THR H H 63 7.882 7.882 8.587 -0.705 18905 8490 1 14 . 1 1 64 64 GLN N N 64 113.890 113.890 117.804 -3.914 18905 8491 1 14 . 1 1 64 64 GLN HA H 64 3.829 3.829 4.610 -0.781 18905 8492 1 14 . 1 1 64 64 GLN C C 64 172.129 172.129 174.974 -2.845 18905 8493 1 14 . 1 1 64 64 GLN CA C 64 54.560 54.560 54.699 -0.139 18905 8494 1 14 . 1 1 64 64 GLN CB C 64 23.812 23.812 29.184 -5.372 18905 8495 1 14 . 1 1 64 64 GLN H H 64 8.188 8.188 8.379 -0.191 18905 8496 1 14 . 1 1 65 65 LEU N N 65 119.516 119.516 121.723 -2.207 18905 8497 1 14 . 1 1 65 65 LEU HA H 65 4.463 4.463 4.606 -0.143 18905 8498 1 14 . 1 1 65 65 LEU C C 65 174.174 174.174 176.189 -2.015 18905 8499 1 14 . 1 1 65 65 LEU CA C 65 51.024 51.024 53.547 -2.523 18905 8500 1 14 . 1 1 65 65 LEU CB C 65 39.608 39.608 43.617 -4.009 18905 8501 1 14 . 1 1 65 65 LEU H H 65 7.682 7.682 7.299 0.383 18905 8502 1 14 . 1 1 66 66 ASN N N 66 117.776 117.776 119.638 -1.862 18905 8503 1 14 . 1 1 66 66 ASN HA H 66 4.958 4.958 4.663 0.295 18905 8504 1 14 . 1 1 66 66 ASN C C 66 171.913 171.913 176.589 -4.676 18905 8505 1 14 . 1 1 66 66 ASN CA C 66 50.440 50.440 53.886 -3.446 18905 8506 1 14 . 1 1 66 66 ASN CB C 66 36.771 36.771 38.799 -2.028 18905 8507 1 14 . 1 1 66 66 ASN H H 66 8.771 8.771 8.158 0.614 18905 8508 1 14 . 1 1 67 67 ARG N N 67 117.508 117.508 124.303 -6.795 18905 8509 1 14 . 1 1 67 67 ARG HA H 67 4.193 4.193 4.304 -0.111 18905 8510 1 14 . 1 1 67 67 ARG CA C 67 53.615 53.615 57.503 -3.888 18905 8511 1 14 . 1 1 67 67 ARG CB C 67 28.137 28.137 29.991 -1.854 18905 8512 1 14 . 1 1 67 67 ARG H H 67 8.313 8.313 8.656 -0.343 18905 8513 1 14 . 1 1 68 68 GLY N N 68 107.904 107.904 106.476 1.428 18905 8514 1 14 . 1 1 68 68 GLY CA C 68 42.842 42.842 44.959 -2.117 18905 8515 1 14 . 1 1 68 68 GLY H H 68 9.437 9.437 8.492 0.945 18905 8516 1 14 . 1 1 69 69 PHE N N 69 113.804 113.804 115.503 -1.699 18905 8517 1 14 . 1 1 69 69 PHE HA H 69 5.754 5.754 5.452 0.302 18905 8518 1 14 . 1 1 69 69 PHE C C 69 170.151 170.151 172.791 -2.640 18905 8519 1 14 . 1 1 69 69 PHE CA C 69 51.625 51.625 55.056 -3.431 18905 8520 1 14 . 1 1 69 69 PHE CB C 69 39.587 39.587 41.208 -1.621 18905 8521 1 14 . 1 1 69 69 PHE H H 69 6.750 6.750 7.260 -0.510 18905 8522 1 14 . 1 1 70 70 ALA N N 70 118.965 118.965 119.658 -0.693 18905 8523 1 14 . 1 1 70 70 ALA HA H 70 4.807 4.807 4.857 -0.050 18905 8524 1 14 . 1 1 70 70 ALA C C 70 171.693 171.693 174.942 -3.249 18905 8525 1 14 . 1 1 70 70 ALA CA C 70 47.155 47.155 51.127 -3.973 18905 8526 1 14 . 1 1 70 70 ALA CB C 70 21.153 21.153 22.275 -1.122 18905 8527 1 14 . 1 1 70 70 ALA H H 70 8.526 8.526 8.339 0.187 18905 8528 1 14 . 1 1 71 71 PHE N N 71 117.469 117.469 117.667 -0.198 18905 8529 1 14 . 1 1 71 71 PHE HA H 71 5.537 5.537 5.486 0.051 18905 8530 1 14 . 1 1 71 71 PHE C C 71 172.630 172.630 174.297 -1.667 18905 8531 1 14 . 1 1 71 71 PHE CA C 71 52.609 52.609 56.405 -3.796 18905 8532 1 14 . 1 1 71 71 PHE CB C 71 39.675 39.675 44.665 -4.990 18905 8533 1 14 . 1 1 71 71 PHE H H 71 8.824 8.824 9.099 -0.275 18905 8534 1 14 . 1 1 72 72 ILE N N 72 122.867 122.867 120.172 2.695 18905 8535 1 14 . 1 1 72 72 ILE HA H 72 5.022 5.022 4.696 0.326 18905 8536 1 14 . 1 1 72 72 ILE CA C 72 56.881 56.881 60.606 -3.725 18905 8537 1 14 . 1 1 72 72 ILE CB C 72 37.031 37.031 41.678 -4.647 18905 8538 1 14 . 1 1 72 72 ILE H H 72 9.555 9.555 9.337 0.218 18905 8539 1 14 . 1 1 73 73 GLN N N 73 128.422 128.422 127.811 0.611 18905 8540 1 14 . 1 1 73 73 GLN HA H 73 5.170 5.170 4.293 0.877 18905 8541 1 14 . 1 1 73 73 GLN CA C 73 52.252 52.252 56.209 -3.957 18905 8542 1 14 . 1 1 73 73 GLN CB C 73 28.291 28.291 29.029 -0.738 18905 8543 1 14 . 1 1 73 73 GLN H H 73 8.964 8.964 8.290 0.674 18905 8544 1 14 . 1 1 74 74 LEU N N 74 126.707 126.707 124.277 2.430 18905 8545 1 14 . 1 1 74 74 LEU HA H 74 4.789 4.789 4.575 0.214 18905 8546 1 14 . 1 1 74 74 LEU CA C 74 50.617 50.617 53.228 -2.611 18905 8547 1 14 . 1 1 74 74 LEU CB C 74 44.885 44.885 46.097 -1.212 18905 8548 1 14 . 1 1 74 74 LEU H H 74 8.420 8.420 8.302 0.118 18905 8549 1 14 . 1 1 75 75 SER HA H 75 4.284 4.284 4.373 -0.089 18905 8550 1 14 . 1 1 75 75 SER CA C 75 55.390 55.390 58.714 -3.324 18905 8551 1 14 . 1 1 75 75 SER CB C 75 61.275 61.275 64.370 -3.095 18905 8552 1 14 . 1 1 76 76 THR N N 76 116.193 116.193 118.813 -2.620 18905 8553 1 14 . 1 1 76 76 THR HA H 76 3.994 3.994 4.260 -0.266 18905 8554 1 14 . 1 1 76 76 THR C C 76 174.630 174.630 176.410 -1.780 18905 8555 1 14 . 1 1 76 76 THR CA C 76 64.225 64.225 66.409 -2.184 18905 8556 1 14 . 1 1 76 76 THR CB C 76 66.003 66.003 68.668 -2.665 18905 8557 1 14 . 1 1 76 76 THR H H 76 8.614 8.614 8.819 -0.205 18905 8558 1 14 . 1 1 77 77 ILE N N 77 120.400 120.400 118.676 1.724 18905 8559 1 14 . 1 1 77 77 ILE HA H 77 3.911 3.911 4.119 -0.208 18905 8560 1 14 . 1 1 77 77 ILE C C 77 175.577 175.577 177.660 -2.083 18905 8561 1 14 . 1 1 77 77 ILE CA C 77 61.264 61.264 62.937 -1.673 18905 8562 1 14 . 1 1 77 77 ILE CB C 77 35.379 35.379 37.169 -1.790 18905 8563 1 14 . 1 1 77 77 ILE H H 77 8.044 8.044 8.458 -0.414 18905 8564 1 14 . 1 1 78 78 GLU N N 78 120.562 120.562 120.879 -0.317 18905 8565 1 14 . 1 1 78 78 GLU HA H 78 4.062 4.062 4.230 -0.168 18905 8566 1 14 . 1 1 78 78 GLU C C 78 176.596 176.596 178.897 -2.301 18905 8567 1 14 . 1 1 78 78 GLU CA C 78 56.355 56.355 59.963 -3.608 18905 8568 1 14 . 1 1 78 78 GLU CB C 78 27.668 27.668 29.219 -1.551 18905 8569 1 14 . 1 1 78 78 GLU H H 78 7.548 7.548 8.717 -1.169 18905 8570 1 14 . 1 1 79 79 ALA N N 79 122.789 122.789 122.023 0.766 18905 8571 1 14 . 1 1 79 79 ALA HA H 79 3.923 3.923 3.898 0.025 18905 8572 1 14 . 1 1 79 79 ALA C C 79 175.736 175.736 179.246 -3.510 18905 8573 1 14 . 1 1 79 79 ALA CA C 79 52.649 52.649 55.198 -2.549 18905 8574 1 14 . 1 1 79 79 ALA CB C 79 15.305 15.305 17.899 -2.594 18905 8575 1 14 . 1 1 79 79 ALA H H 79 9.279 9.279 8.550 0.729 18905 8576 1 14 . 1 1 80 80 ALA N N 80 118.643 118.643 121.043 -2.400 18905 8577 1 14 . 1 1 80 80 ALA HA H 80 4.001 4.001 4.387 -0.386 18905 8578 1 14 . 1 1 80 80 ALA C C 80 177.943 177.943 179.911 -1.968 18905 8579 1 14 . 1 1 80 80 ALA CA C 80 52.521 52.521 55.083 -2.562 18905 8580 1 14 . 1 1 80 80 ALA CB C 80 15.281 15.281 18.372 -3.091 18905 8581 1 14 . 1 1 80 80 ALA H H 80 7.688 7.688 7.377 0.311 18905 8582 1 14 . 1 1 81 81 GLN N N 81 116.877 116.877 118.452 -1.575 18905 8583 1 14 . 1 1 81 81 GLN HA H 81 4.015 4.015 4.067 -0.052 18905 8584 1 14 . 1 1 81 81 GLN CA C 81 55.760 55.760 58.523 -2.763 18905 8585 1 14 . 1 1 81 81 GLN CB C 81 25.786 25.786 28.431 -2.645 18905 8586 1 14 . 1 1 81 81 GLN H H 81 7.593 7.593 8.414 -0.821 18905 8587 1 14 . 1 1 82 82 LEU N N 82 119.946 119.946 121.340 -1.394 18905 8588 1 14 . 1 1 82 82 LEU HA H 82 4.121 4.121 4.012 0.109 18905 8589 1 14 . 1 1 82 82 LEU C C 82 175.358 175.358 179.035 -3.677 18905 8590 1 14 . 1 1 82 82 LEU CA C 82 54.781 54.781 57.316 -2.535 18905 8591 1 14 . 1 1 82 82 LEU CB C 82 38.240 38.240 41.750 -3.510 18905 8592 1 14 . 1 1 82 82 LEU H H 82 8.258 8.258 7.991 0.267 18905 8593 1 14 . 1 1 83 83 LEU N N 83 119.288 119.288 119.506 -0.218 18905 8594 1 14 . 1 1 83 83 LEU HA H 83 3.585 3.585 3.915 -0.330 18905 8595 1 14 . 1 1 83 83 LEU C C 83 175.365 175.365 178.402 -3.037 18905 8596 1 14 . 1 1 83 83 LEU CA C 83 56.142 56.142 58.535 -2.393 18905 8597 1 14 . 1 1 83 83 LEU CB C 83 38.875 38.875 41.967 -3.092 18905 8598 1 14 . 1 1 83 83 LEU H H 83 8.407 8.407 7.636 0.771 18905 8599 1 14 . 1 1 84 84 GLN N N 84 115.391 115.391 117.671 -2.280 18905 8600 1 14 . 1 1 84 84 GLN HA H 84 3.878 3.878 4.096 -0.218 18905 8601 1 14 . 1 1 84 84 GLN C C 84 176.472 176.472 177.643 -1.171 18905 8602 1 14 . 1 1 84 84 GLN CA C 84 56.142 56.142 58.321 -2.179 18905 8603 1 14 . 1 1 84 84 GLN CB C 84 25.733 25.733 28.735 -3.002 18905 8604 1 14 . 1 1 84 84 GLN H H 84 7.347 7.347 7.728 -0.381 18905 8605 1 14 . 1 1 85 85 ILE N N 85 119.593 119.593 119.691 -0.098 18905 8606 1 14 . 1 1 85 85 ILE HA H 85 3.607 3.607 3.789 -0.182 18905 8607 1 14 . 1 1 85 85 ILE CA C 85 61.779 61.779 63.932 -2.153 18905 8608 1 14 . 1 1 85 85 ILE CB C 85 35.948 35.948 38.356 -2.408 18905 8609 1 14 . 1 1 85 85 ILE H H 85 7.650 7.650 7.528 0.122 18905 8610 1 14 . 1 1 86 86 LEU N N 86 116.537 116.537 120.926 -4.389 18905 8611 1 14 . 1 1 86 86 LEU HA H 86 3.757 3.757 3.984 -0.227 18905 8612 1 14 . 1 1 86 86 LEU C C 86 177.610 177.610 179.307 -1.697 18905 8613 1 14 . 1 1 86 86 LEU CA C 86 54.521 54.521 58.322 -3.801 18905 8614 1 14 . 1 1 86 86 LEU CB C 86 39.226 39.226 41.477 -2.251 18905 8615 1 14 . 1 1 86 86 LEU H H 86 8.410 8.410 8.383 0.027 18905 8616 1 14 . 1 1 87 87 GLN N N 87 115.959 115.959 117.443 -1.484 18905 8617 1 14 . 1 1 87 87 GLN HA H 87 4.009 4.009 4.098 -0.089 18905 8618 1 14 . 1 1 87 87 GLN C C 87 174.156 174.156 176.725 -2.569 18905 8619 1 14 . 1 1 87 87 GLN CA C 87 55.735 55.735 57.905 -2.170 18905 8620 1 14 . 1 1 87 87 GLN CB C 87 25.516 25.516 28.483 -2.966 18905 8621 1 14 . 1 1 87 87 GLN H H 87 8.406 8.406 7.927 0.479 18905 8622 1 14 . 1 1 88 88 ALA N N 88 120.044 120.044 120.150 -0.106 18905 8623 1 14 . 1 1 88 88 ALA HA H 88 4.338 4.338 4.479 -0.141 18905 8624 1 14 . 1 1 88 88 ALA C C 88 174.373 174.373 176.209 -1.836 18905 8625 1 14 . 1 1 88 88 ALA CA C 88 48.933 48.933 52.147 -3.214 18905 8626 1 14 . 1 1 88 88 ALA CB C 88 16.681 16.681 20.026 -3.345 18905 8627 1 14 . 1 1 88 88 ALA H H 88 7.110 7.110 7.744 -0.634 18905 8628 1 14 . 1 1 89 89 LEU N N 89 119.696 119.696 117.125 2.571 18905 8629 1 14 . 1 1 89 89 LEU HA H 89 3.929 3.929 4.901 -0.972 18905 8630 1 14 . 1 1 89 89 LEU C C 89 175.387 175.387 174.932 0.455 18905 8631 1 14 . 1 1 89 89 LEU CA C 89 53.364 53.364 54.176 -0.812 18905 8632 1 14 . 1 1 89 89 LEU CB C 89 39.775 39.775 43.544 -3.768 18905 8633 1 14 . 1 1 89 89 LEU H H 89 6.693 6.693 7.517 -0.824 18905 8634 1 14 . 1 1 90 90 HIS N N 90 120.136 120.136 113.914 6.222 18905 8635 1 14 . 1 1 90 90 HIS HA H 90 4.419 4.419 5.018 -0.599 18905 8636 1 14 . 1 1 90 90 HIS CA C 90 50.226 50.226 52.756 -2.530 18905 8637 1 14 . 1 1 90 90 HIS CB C 90 27.853 27.853 29.904 -2.051 18905 8638 1 14 . 1 1 90 90 HIS H H 90 8.299 8.299 7.745 0.554 18905 8639 1 14 . 1 1 91 91 PRO HA H 91 4.367 4.367 4.651 -0.284 18905 8640 1 14 . 1 1 91 91 PRO CA C 91 60.550 60.550 61.746 -1.196 18905 8641 1 14 . 1 1 91 91 PRO CB C 91 29.416 29.416 31.829 -2.413 18905 8642 1 14 . 1 1 92 92 PRO HA H 92 4.815 4.815 4.531 0.284 18905 8643 1 14 . 1 1 92 92 PRO CA C 92 59.812 59.812 63.963 -4.151 18905 8644 1 14 . 1 1 92 92 PRO CB C 92 30.119 30.119 32.121 -2.002 18905 8645 1 14 . 1 1 93 93 LEU N N 93 121.469 121.469 119.729 1.740 18905 8646 1 14 . 1 1 93 93 LEU HA H 93 3.954 3.954 4.591 -0.637 18905 8647 1 14 . 1 1 93 93 LEU CA C 93 53.500 53.500 54.510 -1.010 18905 8648 1 14 . 1 1 93 93 LEU CB C 93 39.889 39.889 44.955 -5.066 18905 8649 1 14 . 1 1 93 93 LEU H H 93 8.404 8.404 7.594 0.810 18905 8650 1 14 . 1 1 94 94 THR HA H 94 5.276 5.276 4.650 0.626 18905 8651 1 14 . 1 1 94 94 THR CA C 94 57.077 57.077 61.247 -4.170 18905 8652 1 14 . 1 1 94 94 THR CB C 94 69.076 69.076 71.074 -1.998 18905 8653 1 14 . 1 1 95 95 ILE N N 95 121.239 121.239 122.767 -1.528 18905 8654 1 14 . 1 1 95 95 ILE HA H 95 4.184 4.184 4.430 -0.246 18905 8655 1 14 . 1 1 95 95 ILE CA C 95 58.054 58.054 59.739 -1.685 18905 8656 1 14 . 1 1 95 95 ILE CB C 95 37.534 37.534 40.235 -2.701 18905 8657 1 14 . 1 1 95 95 ILE H H 95 8.317 8.317 7.995 0.322 18905 8658 1 14 . 1 1 96 96 ASP N N 96 130.909 130.909 125.467 5.442 18905 8659 1 14 . 1 1 96 96 ASP HA H 96 4.292 4.292 4.290 0.002 18905 8660 1 14 . 1 1 96 96 ASP CA C 96 53.001 53.001 55.519 -2.518 18905 8661 1 14 . 1 1 96 96 ASP CB C 96 37.114 37.114 39.669 -2.555 18905 8662 1 14 . 1 1 96 96 ASP H H 96 9.837 9.837 8.917 0.920 18905 8663 1 14 . 1 1 97 97 GLY N N 97 102.578 102.578 104.125 -1.547 18905 8664 1 14 . 1 1 97 97 GLY C C 97 170.992 170.992 174.541 -3.549 18905 8665 1 14 . 1 1 97 97 GLY CA C 97 42.754 42.754 45.363 -2.609 18905 8666 1 14 . 1 1 97 97 GLY H H 97 8.638 8.638 8.268 0.370 18905 8667 1 14 . 1 1 98 98 LYS N N 98 120.330 120.330 119.523 0.807 18905 8668 1 14 . 1 1 98 98 LYS HA H 98 4.629 4.629 4.248 0.381 18905 8669 1 14 . 1 1 98 98 LYS C C 98 172.675 172.675 176.545 -3.870 18905 8670 1 14 . 1 1 98 98 LYS CA C 98 50.304 50.304 56.402 -6.098 18905 8671 1 14 . 1 1 98 98 LYS CB C 98 31.136 31.136 33.501 -2.365 18905 8672 1 14 . 1 1 98 98 LYS H H 98 7.440 7.440 7.991 -0.551 18905 8673 1 14 . 1 1 99 99 THR N N 99 119.612 119.612 109.145 10.467 18905 8674 1 14 . 1 1 99 99 THR HA H 99 4.356 4.356 4.551 -0.195 18905 8675 1 14 . 1 1 99 99 THR C C 99 171.511 171.511 172.405 -0.894 18905 8676 1 14 . 1 1 99 99 THR CA C 99 60.382 60.382 60.805 -0.423 18905 8677 1 14 . 1 1 99 99 THR CB C 99 65.967 65.967 71.131 -5.164 18905 8678 1 14 . 1 1 99 99 THR H H 99 8.626 8.626 8.515 0.111 18905 8679 1 14 . 1 1 100 100 ILE N N 100 129.389 129.389 120.205 9.184 18905 8680 1 14 . 1 1 100 100 ILE HA H 100 4.358 4.358 4.695 -0.337 18905 8681 1 14 . 1 1 100 100 ILE C C 100 172.710 172.710 175.342 -2.632 18905 8682 1 14 . 1 1 100 100 ILE CA C 100 55.202 55.202 59.172 -3.970 18905 8683 1 14 . 1 1 100 100 ILE CB C 100 34.925 34.925 38.362 -3.437 18905 8684 1 14 . 1 1 100 100 ILE H H 100 8.463 8.463 8.397 0.066 18905 8685 1 14 . 1 1 101 101 ASN N N 101 123.767 123.767 125.157 -1.390 18905 8686 1 14 . 1 1 101 101 ASN HA H 101 4.904 4.904 4.863 0.041 18905 8687 1 14 . 1 1 101 101 ASN C C 101 170.860 170.860 174.879 -4.019 18905 8688 1 14 . 1 1 101 101 ASN CA C 101 49.884 49.884 52.726 -2.842 18905 8689 1 14 . 1 1 101 101 ASN CB C 101 38.364 38.364 40.062 -1.698 18905 8690 1 14 . 1 1 101 101 ASN H H 101 7.878 7.878 8.830 -0.952 18905 8691 1 14 . 1 1 102 102 VAL N N 102 122.207 122.207 120.271 1.936 18905 8692 1 14 . 1 1 102 102 VAL HA H 102 4.933 4.933 4.134 0.799 18905 8693 1 14 . 1 1 102 102 VAL C C 102 175.222 175.222 175.264 -0.042 18905 8694 1 14 . 1 1 102 102 VAL CA C 102 57.981 57.981 62.787 -4.806 18905 8695 1 14 . 1 1 102 102 VAL CB C 102 31.183 31.183 32.970 -1.787 18905 8696 1 14 . 1 1 102 102 VAL H H 102 8.503 8.503 8.375 0.128 18905 8697 1 14 . 1 1 103 103 GLU N N 103 124.079 124.079 122.645 1.434 18905 8698 1 14 . 1 1 103 103 GLU HA H 103 4.557 4.557 4.519 0.038 18905 8699 1 14 . 1 1 103 103 GLU CA C 103 51.772 51.772 56.097 -4.325 18905 8700 1 14 . 1 1 103 103 GLU CB C 103 31.226 31.226 34.092 -2.866 18905 8701 1 14 . 1 1 103 103 GLU H H 103 8.627 8.627 8.489 0.138 18905 8702 1 14 . 1 1 104 104 PHE N N 104 121.287 121.287 121.425 -0.138 18905 8703 1 14 . 1 1 104 104 PHE HA H 104 5.047 5.047 4.925 0.122 18905 8704 1 14 . 1 1 104 104 PHE C C 104 173.023 173.023 174.769 -1.746 18905 8705 1 14 . 1 1 104 104 PHE CA C 104 55.305 55.305 56.161 -0.856 18905 8706 1 14 . 1 1 104 104 PHE CB C 104 38.342 38.342 40.637 -2.295 18905 8707 1 14 . 1 1 104 104 PHE H H 104 8.778 8.778 8.830 -0.052 18905 8708 1 14 . 1 1 105 105 ALA N N 105 127.703 127.703 131.893 -4.190 18905 8709 1 14 . 1 1 105 105 ALA HA H 105 4.278 4.278 4.357 -0.079 18905 8710 1 14 . 1 1 105 105 ALA C C 105 172.939 172.939 177.083 -4.144 18905 8711 1 14 . 1 1 105 105 ALA CA C 105 48.936 48.936 51.913 -2.977 18905 8712 1 14 . 1 1 105 105 ALA CB C 105 17.822 17.822 17.461 0.361 18905 8713 1 14 . 1 1 105 105 ALA H H 105 8.630 8.630 8.579 0.052 18905 8714 1 14 . 1 1 106 106 LYS N N 106 121.259 121.259 121.890 -0.631 18905 8715 1 14 . 1 1 106 106 LYS HA H 106 4.211 4.211 4.356 -0.145 18905 8716 1 14 . 1 1 106 106 LYS C C 106 174.939 174.939 177.044 -2.105 18905 8717 1 14 . 1 1 106 106 LYS CA C 106 52.995 52.995 56.345 -3.350 18905 8718 1 14 . 1 1 106 106 LYS CB C 106 30.290 30.290 33.202 -2.912 18905 8719 1 14 . 1 1 106 106 LYS H H 106 8.289 8.289 7.814 0.475 18905 8720 1 14 . 1 1 107 107 GLY N N 107 111.965 111.965 109.847 2.118 18905 8721 1 14 . 1 1 107 107 GLY C C 107 171.215 171.215 174.048 -2.833 18905 8722 1 14 . 1 1 107 107 GLY CA C 107 42.651 42.651 44.021 -1.370 18905 8723 1 14 . 1 1 107 107 GLY H H 107 8.921 8.921 8.346 0.575 18905 8724 1 14 . 1 1 108 108 SER N N 108 114.479 114.479 115.537 -1.058 18905 8725 1 14 . 1 1 108 108 SER HA H 108 4.294 4.294 4.256 0.038 18905 8726 1 14 . 1 1 108 108 SER C C 108 172.040 172.040 174.732 -2.692 18905 8727 1 14 . 1 1 108 108 SER CA C 108 55.336 55.336 59.249 -3.913 18905 8728 1 14 . 1 1 108 108 SER H H 108 8.197 8.197 8.364 -0.167 18905 8729 1 14 . 1 1 109 109 LYS N N 109 123.374 123.374 125.266 -1.892 18905 8730 1 14 . 1 1 109 109 LYS HA H 109 4.198 4.198 4.143 0.055 18905 8731 1 14 . 1 1 109 109 LYS C C 109 173.967 173.967 176.154 -2.187 18905 8732 1 14 . 1 1 109 109 LYS CA C 109 53.730 53.730 57.192 -3.462 18905 8733 1 14 . 1 1 109 109 LYS CB C 109 30.137 30.137 32.487 -2.350 18905 8734 1 14 . 1 1 109 109 LYS H H 109 8.306 8.306 8.368 -0.062 18905 8735 1 14 . 1 1 110 110 ARG N N 110 134.189 134.189 122.379 11.810 18905 8736 1 14 . 1 1 110 110 ARG HA H 110 4.542 4.542 4.604 -0.062 18905 8737 1 14 . 1 1 110 110 ARG C C 110 173.119 173.119 174.369 -1.250 18905 8738 1 14 . 1 1 110 110 ARG CA C 110 52.474 52.474 55.290 -2.816 18905 8739 1 14 . 1 1 110 110 ARG CB C 110 32.296 32.296 31.657 0.639 18905 8740 1 14 . 1 1 111 111 ASP N N 111 123.210 123.210 124.310 -1.100 18905 8741 1 14 . 1 1 111 111 ASP HA H 111 4.519 4.519 5.199 -0.680 18905 8742 1 14 . 1 1 111 111 ASP C C 111 174.187 174.187 175.447 -1.260 18905 8743 1 14 . 1 1 111 111 ASP CA C 111 52.307 52.307 53.053 -0.747 18905 8744 1 14 . 1 1 111 111 ASP CB C 111 40.206 40.206 43.289 -3.083 18905 8745 1 14 . 1 1 111 111 ASP H H 111 8.523 8.523 8.747 -0.224 18905 8746 1 14 . 1 1 112 112 MET HA H 112 4.330 4.330 4.561 -0.231 18905 8747 1 14 . 1 1 112 112 MET CA C 112 53.074 53.074 54.765 -1.691 18905 8748 1 14 . 1 1 112 112 MET CB C 112 30.057 30.057 34.963 -4.906 18905 8749 1 14 . 1 1 113 113 ALA N N 113 124.061 124.061 125.363 -1.302 18905 8750 1 14 . 1 1 113 113 ALA HA H 113 4.229 4.229 4.750 -0.521 18905 8751 1 14 . 1 1 113 113 ALA C C 113 175.243 175.243 176.501 -1.258 18905 8752 1 14 . 1 1 113 113 ALA CA C 113 49.967 49.967 52.778 -2.811 18905 8753 1 14 . 1 1 113 113 ALA CB C 113 16.436 16.436 19.262 -2.826 18905 8754 1 14 . 1 1 113 113 ALA H H 113 8.214 8.214 8.391 -0.177 18905 8755 1 14 . 1 1 114 114 SER N N 114 114.286 114.286 116.515 -2.229 18905 8756 1 14 . 1 1 114 114 SER HA H 114 4.376 4.376 4.447 -0.071 18905 8757 1 14 . 1 1 114 114 SER CA C 114 55.596 55.596 58.813 -3.217 18905 8758 1 14 . 1 1 114 114 SER CB C 114 61.009 61.009 63.612 -2.603 18905 8759 1 14 . 1 1 114 114 SER H H 114 8.124 8.124 8.352 -0.228 18905 8760 1 14 . 1 1 119 119 ARG N N 119 122.813 122.813 126.940 -4.127 18905 8761 1 14 . 1 1 119 119 ARG HA H 119 4.294 4.294 4.613 -0.319 18905 8762 1 14 . 1 1 119 119 ARG C C 119 173.654 173.654 174.113 -0.459 18905 8763 1 14 . 1 1 119 119 ARG CA C 119 53.701 53.701 56.604 -2.903 18905 8764 1 14 . 1 1 119 119 ARG CB C 119 28.140 28.140 30.462 -2.322 18905 8765 1 14 . 1 1 119 119 ARG H H 119 8.246 8.246 8.437 -0.191 18905 8766 1 14 . 1 1 120 120 ILE N N 120 121.624 121.624 122.646 -1.022 18905 8767 1 14 . 1 1 120 120 ILE HA H 120 4.099 4.099 4.565 -0.466 18905 8768 1 14 . 1 1 120 120 ILE C C 120 173.651 173.651 175.767 -2.116 18905 8769 1 14 . 1 1 120 120 ILE CA C 120 58.593 58.593 60.694 -2.101 18905 8770 1 14 . 1 1 120 120 ILE CB C 120 36.091 36.091 40.391 -4.300 18905 8771 1 14 . 1 1 120 120 ILE H H 120 8.084 8.084 8.081 0.003 18905 8772 1 14 . 1 1 121 121 SER N N 121 119.953 119.953 118.015 1.938 18905 8773 1 14 . 1 1 121 121 SER HA H 121 4.378 4.378 5.198 -0.820 18905 8774 1 14 . 1 1 121 121 SER C C 121 170.780 170.780 172.626 -1.846 18905 8775 1 14 . 1 1 121 121 SER CA C 121 55.506 55.506 57.842 -2.336 18905 8776 1 14 . 1 1 121 121 SER CB C 121 61.571 61.571 64.827 -3.256 18905 8777 1 14 . 1 1 121 121 SER H H 121 8.300 8.300 8.737 -0.437 18905 8778 1 14 . 1 1 123 123 ALA N N 123 119.892 119.892 120.809 -0.917 18905 8779 1 14 . 1 1 123 123 ALA HA H 123 4.102 4.102 4.393 -0.291 18905 8780 1 14 . 1 1 123 123 ALA CA C 123 58.473 58.473 52.350 6.122 18905 8781 1 14 . 1 1 123 123 ALA H H 123 8.305 8.305 8.356 -0.051 18905 8782 1 14 . 1 1 124 124 SER N N 124 122.264 122.264 113.168 9.096 18905 8783 1 14 . 1 1 124 124 SER HA H 124 4.384 4.384 5.211 -0.827 18905 8784 1 14 . 1 1 124 124 SER CA C 124 55.632 55.632 58.061 -2.429 18905 8785 1 14 . 1 1 124 124 SER CB C 124 60.925 60.925 65.595 -4.670 18905 8786 1 14 . 1 1 124 124 SER H H 124 8.353 8.353 8.207 0.146 18905 8787 1 14 . 1 1 125 125 VAL N N 125 121.433 121.433 119.588 1.845 18905 8788 1 14 . 1 1 125 125 VAL HA H 125 4.073 4.073 4.950 -0.877 18905 8789 1 14 . 1 1 125 125 VAL C C 125 173.240 173.240 173.900 -0.660 18905 8790 1 14 . 1 1 125 125 VAL CA C 125 59.588 59.588 61.758 -2.170 18905 8791 1 14 . 1 1 125 125 VAL CB C 125 30.198 30.198 34.081 -3.883 18905 8792 1 14 . 1 1 125 125 VAL H H 125 8.014 8.014 8.689 -0.675 18905 8793 1 14 . 1 1 126 126 ALA N N 126 127.185 127.185 126.750 0.435 18905 8794 1 14 . 1 1 126 126 ALA HA H 126 4.278 4.278 5.222 -0.944 18905 8795 1 14 . 1 1 126 126 ALA C C 126 175.118 175.118 175.821 -0.703 18905 8796 1 14 . 1 1 126 126 ALA CA C 126 49.919 49.919 51.675 -1.756 18905 8797 1 14 . 1 1 126 126 ALA CB C 126 16.532 16.532 21.221 -4.689 18905 8798 1 14 . 1 1 126 126 ALA H H 126 8.277 8.277 8.530 -0.253 18905 8799 1 14 . 1 1 127 127 SER N N 127 115.148 115.148 115.454 -0.306 18905 8800 1 14 . 1 1 127 127 SER HA H 127 4.420 4.420 4.553 -0.133 18905 8801 1 14 . 1 1 127 127 SER C C 127 172.168 172.168 174.569 -2.401 18905 8802 1 14 . 1 1 127 127 SER CA C 127 55.770 55.770 58.589 -2.819 18905 8803 1 14 . 1 1 127 127 SER CB C 127 58.992 58.992 63.562 -4.570 18905 8804 1 14 . 1 1 127 127 SER H H 127 8.249 8.249 8.938 -0.689 18905 8805 1 14 . 1 1 128 128 THR N N 128 115.498 115.498 115.918 -0.420 18905 8806 1 14 . 1 1 128 128 THR C C 128 171.392 171.392 173.510 -2.118 18905 8807 1 14 . 1 1 128 128 THR CA C 128 59.083 59.083 61.954 -2.871 18905 8808 1 14 . 1 1 128 128 THR H H 128 8.050 8.050 8.035 0.015 18905 8809 1 14 . 1 1 129 129 ALA N N 129 126.543 126.543 124.232 2.311 18905 8810 1 14 . 1 1 129 129 ALA HA H 129 4.236 4.236 4.987 -0.751 18905 8811 1 14 . 1 1 129 129 ALA C C 129 174.650 174.650 175.909 -1.259 18905 8812 1 14 . 1 1 129 129 ALA CA C 129 49.794 49.794 51.237 -1.443 18905 8813 1 14 . 1 1 129 129 ALA CB C 129 16.538 16.538 20.449 -3.911 18905 8814 1 14 . 1 1 129 129 ALA H H 129 8.160 8.160 8.782 -0.622 18905 8815 1 14 . 1 1 130 130 ILE N N 130 120.371 120.371 115.820 4.551 18905 8816 1 14 . 1 1 130 130 ILE HA H 130 4.099 4.099 4.552 -0.453 18905 8817 1 14 . 1 1 130 130 ILE C C 130 173.651 173.651 174.383 -0.732 18905 8818 1 14 . 1 1 130 130 ILE CA C 130 58.513 58.513 60.407 -1.894 18905 8819 1 14 . 1 1 130 130 ILE CB C 130 36.091 36.091 39.301 -3.210 18905 8820 1 14 . 1 1 130 130 ILE H H 130 8.043 8.043 8.124 -0.081 18905 8821 1 15 . 1 1 4 4 GLY N N 4 110.117 110.117 107.753 2.364 18905 8822 1 15 . 1 1 4 4 GLY C C 4 171.413 171.413 172.727 -1.314 18905 8823 1 15 . 1 1 4 4 GLY CA C 4 42.667 42.667 45.491 -2.824 18905 8824 1 15 . 1 1 4 4 GLY H H 4 8.391 8.391 8.700 -0.309 18905 8825 1 15 . 1 1 5 5 VAL N N 5 119.501 119.501 119.567 -0.066 18905 8826 1 15 . 1 1 5 5 VAL HA H 5 4.018 4.018 4.948 -0.930 18905 8827 1 15 . 1 1 5 5 VAL C C 5 173.738 173.738 174.396 -0.658 18905 8828 1 15 . 1 1 5 5 VAL CA C 5 59.923 59.923 61.282 -1.359 18905 8829 1 15 . 1 1 5 5 VAL CB C 5 30.111 30.111 34.257 -4.146 18905 8830 1 15 . 1 1 5 5 VAL H H 5 7.951 7.951 8.431 -0.480 18905 8831 1 15 . 1 1 6 6 LEU N N 6 125.484 125.484 126.937 -1.453 18905 8832 1 15 . 1 1 6 6 LEU HA H 6 4.280 4.280 5.347 -1.067 18905 8833 1 15 . 1 1 6 6 LEU C C 6 174.708 174.708 175.350 -0.642 18905 8834 1 15 . 1 1 6 6 LEU CA C 6 52.535 52.535 54.518 -1.983 18905 8835 1 15 . 1 1 6 6 LEU CB C 6 39.586 39.586 44.318 -4.732 18905 8836 1 15 . 1 1 6 6 LEU H H 6 8.248 8.248 8.770 -0.522 18905 8837 1 15 . 1 1 7 7 ALA N N 7 124.939 124.939 123.087 1.852 18905 8838 1 15 . 1 1 7 7 ALA HA H 7 4.234 4.234 5.306 -1.072 18905 8839 1 15 . 1 1 7 7 ALA C C 7 174.865 174.865 175.576 -0.711 18905 8840 1 15 . 1 1 7 7 ALA CA C 7 50.136 50.136 51.752 -1.617 18905 8841 1 15 . 1 1 7 7 ALA CB C 7 16.500 16.500 21.492 -4.992 18905 8842 1 15 . 1 1 7 7 ALA H H 7 8.241 8.241 8.742 -0.501 18905 8843 1 15 . 1 1 8 8 SER N N 8 117.901 117.901 114.365 3.536 18905 8844 1 15 . 1 1 8 8 SER HA H 8 4.377 4.377 5.071 -0.694 18905 8845 1 15 . 1 1 8 8 SER C C 8 172.221 172.221 172.694 -0.473 18905 8846 1 15 . 1 1 8 8 SER CA C 8 56.008 56.008 57.811 -1.803 18905 8847 1 15 . 1 1 8 8 SER CB C 8 61.008 61.008 64.952 -3.944 18905 8848 1 15 . 1 1 8 8 SER H H 8 8.347 8.347 8.991 -0.644 18905 8849 1 15 . 1 1 9 9 GLN N N 9 122.019 122.019 118.619 3.400 18905 8850 1 15 . 1 1 9 9 GLN HA H 9 4.302 4.302 5.088 -0.786 18905 8851 1 15 . 1 1 9 9 GLN C C 9 173.160 173.160 173.636 -0.476 18905 8852 1 15 . 1 1 9 9 GLN CA C 9 53.470 53.470 54.611 -1.141 18905 8853 1 15 . 1 1 9 9 GLN CB C 9 26.663 26.663 30.643 -3.980 18905 8854 1 15 . 1 1 9 9 GLN H H 9 8.240 8.240 8.956 -0.716 18905 8855 1 15 . 1 1 10 10 ALA N N 10 124.490 124.490 122.585 1.905 18905 8856 1 15 . 1 1 10 10 ALA HA H 10 4.238 4.238 5.185 -0.947 18905 8857 1 15 . 1 1 10 10 ALA C C 10 175.142 175.142 175.425 -0.283 18905 8858 1 15 . 1 1 10 10 ALA CA C 10 50.121 50.121 51.617 -1.496 18905 8859 1 15 . 1 1 10 10 ALA CB C 10 16.322 16.322 20.889 -4.567 18905 8860 1 15 . 1 1 10 10 ALA H H 10 8.132 8.132 8.784 -0.652 18905 8861 1 15 . 1 1 11 11 LEU N N 11 120.785 120.785 118.905 1.880 18905 8862 1 15 . 1 1 11 11 LEU HA H 11 4.278 4.278 4.903 -0.625 18905 8863 1 15 . 1 1 11 11 LEU C C 11 174.929 174.929 175.200 -0.271 18905 8864 1 15 . 1 1 11 11 LEU CA C 11 52.612 52.612 53.995 -1.383 18905 8865 1 15 . 1 1 11 11 LEU CB C 11 39.647 39.647 44.227 -4.580 18905 8866 1 15 . 1 1 11 11 LEU H H 11 8.088 8.088 8.300 -0.212 18905 8867 1 15 . 1 1 12 12 SER N N 12 116.121 116.121 115.681 0.440 18905 8868 1 15 . 1 1 12 12 SER C C 12 171.977 171.977 173.955 -1.978 18905 8869 1 15 . 1 1 12 12 SER CA C 12 55.621 55.621 58.348 -2.727 18905 8870 1 15 . 1 1 12 12 SER CB C 12 56.041 56.041 64.018 -7.977 18905 8871 1 15 . 1 1 12 12 SER H H 12 8.170 8.170 8.313 -0.143 18905 8872 1 15 . 1 1 13 13 GLN N N 13 122.139 122.139 122.765 -0.626 18905 8873 1 15 . 1 1 13 13 GLN HA H 13 4.312 4.312 4.813 -0.501 18905 8874 1 15 . 1 1 13 13 GLN CA C 13 54.059 54.059 55.377 -1.317 18905 8875 1 15 . 1 1 13 13 GLN H H 13 8.368 8.368 8.363 0.005 18905 8876 1 15 . 1 1 14 14 GLY N N 14 109.259 109.259 108.156 1.103 18905 8877 1 15 . 1 1 14 14 GLY CA C 14 42.970 42.970 44.920 -1.950 18905 8878 1 15 . 1 1 14 14 GLY H H 14 8.378 8.378 8.654 -0.276 18905 8879 1 15 . 1 1 15 15 SER N N 15 115.486 115.486 115.153 0.333 18905 8880 1 15 . 1 1 15 15 SER HA H 15 4.378 4.378 4.952 -0.574 18905 8881 1 15 . 1 1 15 15 SER CA C 15 55.853 55.853 57.994 -2.141 18905 8882 1 15 . 1 1 15 15 SER CB C 15 59.406 59.406 66.406 -7.000 18905 8883 1 15 . 1 1 15 15 SER H H 15 8.085 8.085 8.554 -0.469 18905 8884 1 15 . 1 1 16 16 GLU N N 16 120.501 120.501 123.296 -2.795 18905 8885 1 15 . 1 1 16 16 GLU HA H 16 4.664 4.664 4.589 0.075 18905 8886 1 15 . 1 1 16 16 GLU CA C 16 50.628 50.628 55.134 -4.506 18905 8887 1 15 . 1 1 16 16 GLU CB C 16 36.442 36.442 30.160 6.282 18905 8888 1 15 . 1 1 16 16 GLU H H 16 8.376 8.376 8.474 -0.098 18905 8889 1 15 . 1 1 17 17 PRO CA C 17 65.700 65.700 62.952 2.748 18905 8890 1 15 . 1 1 22 22 ALA N N 22 124.130 124.130 124.297 -0.167 18905 8891 1 15 . 1 1 22 22 ALA HA H 22 4.178 4.178 4.420 -0.242 18905 8892 1 15 . 1 1 22 22 ALA CA C 22 49.746 49.746 52.227 -2.481 18905 8893 1 15 . 1 1 22 22 ALA CB C 22 16.789 16.789 19.344 -2.555 18905 8894 1 15 . 1 1 22 22 ALA H H 22 8.096 8.096 8.415 -0.319 18905 8895 1 15 . 1 1 23 23 ASN N N 23 117.516 117.516 120.402 -2.886 18905 8896 1 15 . 1 1 23 23 ASN HA H 23 4.672 4.672 4.958 -0.286 18905 8897 1 15 . 1 1 23 23 ASN C C 23 171.179 171.179 173.098 -1.919 18905 8898 1 15 . 1 1 23 23 ASN CA C 23 50.084 50.084 52.100 -2.016 18905 8899 1 15 . 1 1 23 23 ASN CB C 23 36.737 36.737 40.412 -3.675 18905 8900 1 15 . 1 1 23 23 ASN H H 23 8.037 8.037 8.579 -0.542 18905 8901 1 15 . 1 1 24 24 ASP N N 24 118.387 118.387 120.493 -2.106 18905 8902 1 15 . 1 1 24 24 ASP HA H 24 4.676 4.676 5.175 -0.499 18905 8903 1 15 . 1 1 24 24 ASP CA C 24 50.660 50.660 53.800 -3.140 18905 8904 1 15 . 1 1 24 24 ASP CB C 24 40.670 40.670 42.907 -2.237 18905 8905 1 15 . 1 1 24 24 ASP H H 24 8.198 8.198 8.614 -0.416 18905 8906 1 15 . 1 1 25 25 THR N N 25 114.224 114.224 116.742 -2.518 18905 8907 1 15 . 1 1 25 25 THR HA H 25 5.275 5.275 4.686 0.589 18905 8908 1 15 . 1 1 25 25 THR CA C 25 59.162 59.162 61.955 -2.793 18905 8909 1 15 . 1 1 25 25 THR CB C 25 68.849 68.849 72.217 -3.368 18905 8910 1 15 . 1 1 25 25 THR H H 25 8.090 8.090 8.625 -0.535 18905 8911 1 15 . 1 1 26 26 ILE N N 26 126.637 126.637 124.086 2.551 18905 8912 1 15 . 1 1 26 26 ILE HA H 26 4.650 4.650 3.510 1.140 18905 8913 1 15 . 1 1 26 26 ILE C C 26 171.500 171.500 174.251 -2.751 18905 8914 1 15 . 1 1 26 26 ILE CA C 26 56.930 56.930 61.377 -4.447 18905 8915 1 15 . 1 1 26 26 ILE CB C 26 38.159 38.159 39.376 -1.217 18905 8916 1 15 . 1 1 26 26 ILE H H 26 9.314 9.314 8.456 0.858 18905 8917 1 15 . 1 1 27 27 ILE N N 27 126.764 126.764 123.511 3.253 18905 8918 1 15 . 1 1 27 27 ILE HA H 27 4.955 4.955 4.754 0.201 18905 8919 1 15 . 1 1 27 27 ILE C C 27 171.462 171.462 173.742 -2.280 18905 8920 1 15 . 1 1 27 27 ILE CA C 27 56.909 56.909 59.389 -2.480 18905 8921 1 15 . 1 1 27 27 ILE CB C 27 38.397 38.397 42.319 -3.922 18905 8922 1 15 . 1 1 27 27 ILE H H 27 9.280 9.280 7.538 1.742 18905 8923 1 15 . 1 1 28 28 LEU N N 28 125.666 125.666 127.727 -2.061 18905 8924 1 15 . 1 1 28 28 LEU HA H 28 4.858 4.858 4.556 0.302 18905 8925 1 15 . 1 1 28 28 LEU C C 28 172.714 172.714 176.678 -3.964 18905 8926 1 15 . 1 1 28 28 LEU CA C 28 50.153 50.153 53.571 -3.418 18905 8927 1 15 . 1 1 28 28 LEU CB C 28 39.943 39.943 41.660 -1.717 18905 8928 1 15 . 1 1 28 28 LEU H H 28 8.791 8.791 8.556 0.235 18905 8929 1 15 . 1 1 29 29 ARG N N 29 119.656 119.656 118.631 1.025 18905 8930 1 15 . 1 1 29 29 ARG HA H 29 5.023 5.023 5.026 -0.003 18905 8931 1 15 . 1 1 29 29 ARG C C 29 172.927 172.927 175.946 -3.019 18905 8932 1 15 . 1 1 29 29 ARG CA C 29 51.933 51.933 54.163 -2.230 18905 8933 1 15 . 1 1 29 29 ARG CB C 29 31.298 31.298 33.656 -2.357 18905 8934 1 15 . 1 1 29 29 ARG H H 29 8.742 8.742 7.887 0.855 18905 8935 1 15 . 1 1 30 30 ASN N N 30 115.104 115.104 118.028 -2.924 18905 8936 1 15 . 1 1 30 30 ASN HA H 30 4.319 4.319 4.359 -0.040 18905 8937 1 15 . 1 1 30 30 ASN C C 30 172.025 172.025 173.437 -1.412 18905 8938 1 15 . 1 1 30 30 ASN CA C 30 51.550 51.550 53.855 -2.305 18905 8939 1 15 . 1 1 30 30 ASN CB C 30 35.656 35.656 37.772 -2.116 18905 8940 1 15 . 1 1 30 30 ASN H H 30 8.292 8.292 8.813 -0.521 18905 8941 1 15 . 1 1 31 31 LEU N N 31 113.394 113.394 119.512 -6.118 18905 8942 1 15 . 1 1 31 31 LEU HA H 31 3.915 3.915 4.567 -0.652 18905 8943 1 15 . 1 1 31 31 LEU C C 31 175.815 175.815 175.906 -0.091 18905 8944 1 15 . 1 1 31 31 LEU CA C 31 52.148 52.148 53.397 -1.249 18905 8945 1 15 . 1 1 31 31 LEU CB C 31 39.876 39.876 45.452 -5.576 18905 8946 1 15 . 1 1 31 31 LEU H H 31 7.602 7.602 7.816 -0.214 18905 8947 1 15 . 1 1 32 32 ASN N N 32 123.357 123.357 122.615 0.742 18905 8948 1 15 . 1 1 32 32 ASN HA H 32 4.476 4.476 5.148 -0.672 18905 8949 1 15 . 1 1 32 32 ASN CA C 32 48.784 48.784 51.008 -2.224 18905 8950 1 15 . 1 1 32 32 ASN CB C 32 36.284 36.284 38.763 -2.479 18905 8951 1 15 . 1 1 32 32 ASN H H 32 9.816 9.816 8.283 1.533 18905 8952 1 15 . 1 1 33 33 PRO HA H 33 4.339 4.339 4.340 -0.001 18905 8953 1 15 . 1 1 33 33 PRO CA C 33 61.514 61.514 65.305 -3.791 18905 8954 1 15 . 1 1 33 33 PRO CB C 33 30.320 30.320 31.856 -1.536 18905 8955 1 15 . 1 1 34 34 HIS N N 34 111.187 111.187 112.663 -1.476 18905 8956 1 15 . 1 1 34 34 HIS HA H 34 4.402 4.402 4.765 -0.363 18905 8957 1 15 . 1 1 34 34 HIS CA C 34 53.125 53.125 56.089 -2.964 18905 8958 1 15 . 1 1 34 34 HIS CB C 34 25.760 25.760 30.937 -5.177 18905 8959 1 15 . 1 1 34 34 HIS H H 34 8.856 8.856 8.653 0.203 18905 8960 1 15 . 1 1 35 35 SER N N 35 118.219 118.219 116.132 2.087 18905 8961 1 15 . 1 1 35 35 SER HA H 35 4.718 4.718 4.470 0.248 18905 8962 1 15 . 1 1 35 35 SER CB C 35 60.222 60.222 64.120 -3.898 18905 8963 1 15 . 1 1 35 35 SER H H 35 8.262 8.262 7.745 0.516 18905 8964 1 15 . 1 1 36 36 THR N N 36 114.157 114.157 110.332 3.825 18905 8965 1 15 . 1 1 36 36 THR HA H 36 4.545 4.545 4.662 -0.117 18905 8966 1 15 . 1 1 36 36 THR CA C 36 56.508 56.508 60.422 -3.914 18905 8967 1 15 . 1 1 36 36 THR CB C 36 70.051 70.051 71.953 -1.902 18905 8968 1 15 . 1 1 36 36 THR H H 36 8.451 8.451 8.131 0.320 18905 8969 1 15 . 1 1 37 37 MET N N 37 119.815 119.815 119.930 -0.115 18905 8970 1 15 . 1 1 37 37 MET HA H 37 3.943 3.943 4.252 -0.309 18905 8971 1 15 . 1 1 37 37 MET CA C 37 56.204 56.204 58.373 -2.169 18905 8972 1 15 . 1 1 37 37 MET CB C 37 28.959 28.959 31.973 -3.014 18905 8973 1 15 . 1 1 37 37 MET H H 37 8.928 8.928 8.849 0.079 18905 8974 1 15 . 1 1 38 38 ASP N N 38 115.357 115.357 120.377 -5.020 18905 8975 1 15 . 1 1 38 38 ASP HA H 38 4.301 4.301 4.343 -0.042 18905 8976 1 15 . 1 1 38 38 ASP CA C 38 54.750 54.750 57.768 -3.018 18905 8977 1 15 . 1 1 38 38 ASP CB C 38 37.934 37.934 40.214 -2.280 18905 8978 1 15 . 1 1 38 38 ASP H H 38 8.096 8.096 8.741 -0.645 18905 8979 1 15 . 1 1 39 39 SER N N 39 118.933 118.933 116.073 2.860 18905 8980 1 15 . 1 1 39 39 SER HA H 39 4.253 4.253 4.081 0.172 18905 8981 1 15 . 1 1 39 39 SER C C 39 174.818 174.818 176.697 -1.879 18905 8982 1 15 . 1 1 39 39 SER CA C 39 58.767 58.767 61.843 -3.076 18905 8983 1 15 . 1 1 39 39 SER CB C 39 61.631 61.631 62.587 -0.956 18905 8984 1 15 . 1 1 39 39 SER H H 39 8.088 8.088 7.812 0.276 18905 8985 1 15 . 1 1 40 40 ILE N N 40 124.376 124.376 122.831 1.545 18905 8986 1 15 . 1 1 40 40 ILE HA H 40 3.538 3.538 3.755 -0.217 18905 8987 1 15 . 1 1 40 40 ILE C C 40 174.358 174.358 177.747 -3.389 18905 8988 1 15 . 1 1 40 40 ILE CA C 40 62.936 62.936 64.329 -1.393 18905 8989 1 15 . 1 1 40 40 ILE CB C 40 35.725 35.725 37.707 -1.982 18905 8990 1 15 . 1 1 40 40 ILE H H 40 8.009 8.009 7.314 0.695 18905 8991 1 15 . 1 1 41 41 LEU N N 41 117.914 117.914 120.284 -2.370 18905 8992 1 15 . 1 1 41 41 LEU HA H 41 3.818 3.818 3.859 -0.041 18905 8993 1 15 . 1 1 41 41 LEU C C 41 178.292 178.292 179.272 -0.980 18905 8994 1 15 . 1 1 41 41 LEU CA C 41 55.496 55.496 58.205 -2.709 18905 8995 1 15 . 1 1 41 41 LEU CB C 41 38.574 38.574 41.487 -2.913 18905 8996 1 15 . 1 1 41 41 LEU H H 41 8.574 8.574 8.401 0.173 18905 8997 1 15 . 1 1 42 42 GLY N N 42 105.053 105.053 103.618 1.435 18905 8998 1 15 . 1 1 42 42 GLY C C 42 173.318 173.318 174.330 -1.012 18905 8999 1 15 . 1 1 42 42 GLY CA C 42 44.283 44.283 45.890 -1.607 18905 9000 1 15 . 1 1 42 42 GLY H H 42 8.207 8.207 8.286 -0.079 18905 9001 1 15 . 1 1 43 43 ALA N N 43 122.411 122.411 122.492 -0.081 18905 9002 1 15 . 1 1 43 43 ALA HA H 43 4.245 4.245 4.278 -0.033 18905 9003 1 15 . 1 1 43 43 ALA C C 43 176.200 176.200 178.590 -2.390 18905 9004 1 15 . 1 1 43 43 ALA CA C 43 51.148 51.148 54.006 -2.858 18905 9005 1 15 . 1 1 43 43 ALA CB C 43 17.381 17.381 19.107 -1.726 18905 9006 1 15 . 1 1 43 43 ALA H H 43 7.571 7.571 7.332 0.239 18905 9007 1 15 . 1 1 44 44 LEU N N 44 113.121 113.121 117.412 -4.291 18905 9008 1 15 . 1 1 44 44 LEU HA H 44 4.514 4.514 4.703 -0.189 18905 9009 1 15 . 1 1 44 44 LEU C C 44 174.187 174.187 179.162 -4.975 18905 9010 1 15 . 1 1 44 44 LEU CA C 44 52.247 52.247 53.809 -1.562 18905 9011 1 15 . 1 1 44 44 LEU CB C 44 40.210 40.210 41.004 -0.794 18905 9012 1 15 . 1 1 44 44 LEU H H 44 7.533 7.533 8.083 -0.550 18905 9013 1 15 . 1 1 45 45 ALA N N 45 123.574 123.574 124.781 -1.207 18905 9014 1 15 . 1 1 45 45 ALA HA H 45 4.313 4.313 4.069 0.244 18905 9015 1 15 . 1 1 45 45 ALA CA C 45 53.187 53.187 56.130 -2.943 18905 9016 1 15 . 1 1 45 45 ALA CB C 45 14.134 14.134 16.442 -2.308 18905 9017 1 15 . 1 1 45 45 ALA H H 45 7.398 7.398 8.351 -0.953 18905 9018 1 15 . 1 1 46 46 PRO HA H 46 4.043 4.043 4.290 -0.247 18905 9019 1 15 . 1 1 46 46 PRO CA C 46 61.784 61.784 63.834 -2.050 18905 9020 1 15 . 1 1 46 46 PRO CB C 46 27.999 27.999 31.619 -3.620 18905 9021 1 15 . 1 1 47 47 TYR N N 47 114.404 114.404 119.100 -4.696 18905 9022 1 15 . 1 1 47 47 TYR HA H 47 4.527 4.527 4.771 -0.244 18905 9023 1 15 . 1 1 47 47 TYR CA C 47 54.406 54.406 56.588 -2.182 18905 9024 1 15 . 1 1 47 47 TYR CB C 47 37.537 37.537 38.714 -1.177 18905 9025 1 15 . 1 1 47 47 TYR H H 47 7.897 7.897 7.515 0.382 18905 9026 1 15 . 1 1 48 48 ALA N N 48 119.845 119.845 120.244 -0.399 18905 9027 1 15 . 1 1 48 48 ALA HA H 48 4.360 4.360 4.579 -0.219 18905 9028 1 15 . 1 1 48 48 ALA C C 48 171.938 171.938 175.293 -3.355 18905 9029 1 15 . 1 1 48 48 ALA CA C 48 49.129 49.129 51.654 -2.525 18905 9030 1 15 . 1 1 48 48 ALA CB C 48 19.614 19.614 21.894 -2.280 18905 9031 1 15 . 1 1 48 48 ALA H H 48 8.083 8.083 7.340 0.743 18905 9032 1 15 . 1 1 49 49 VAL N N 49 122.528 122.528 121.744 0.784 18905 9033 1 15 . 1 1 49 49 VAL HA H 49 3.904 3.904 4.398 -0.494 18905 9034 1 15 . 1 1 49 49 VAL C C 49 172.490 172.490 174.817 -2.327 18905 9035 1 15 . 1 1 49 49 VAL CA C 49 60.373 60.373 61.970 -1.597 18905 9036 1 15 . 1 1 49 49 VAL CB C 49 28.257 28.257 31.497 -3.240 18905 9037 1 15 . 1 1 49 49 VAL H H 49 8.414 8.414 8.397 0.017 18905 9038 1 15 . 1 1 50 50 LEU N N 50 127.924 127.924 121.843 6.081 18905 9039 1 15 . 1 1 50 50 LEU HA H 50 4.650 4.650 4.912 -0.262 18905 9040 1 15 . 1 1 50 50 LEU C C 50 172.488 172.488 174.922 -2.434 18905 9041 1 15 . 1 1 50 50 LEU CA C 50 50.523 50.523 54.014 -3.491 18905 9042 1 15 . 1 1 50 50 LEU CB C 50 42.647 42.647 43.620 -0.973 18905 9043 1 15 . 1 1 50 50 LEU H H 50 7.904 7.904 7.580 0.324 18905 9044 1 15 . 1 1 51 51 SER N N 51 114.999 114.999 113.612 1.387 18905 9045 1 15 . 1 1 51 51 SER HA H 51 4.783 4.783 4.879 -0.096 18905 9046 1 15 . 1 1 51 51 SER C C 51 172.827 172.827 174.334 -1.507 18905 9047 1 15 . 1 1 51 51 SER CA C 51 53.708 53.708 56.656 -2.948 18905 9048 1 15 . 1 1 51 51 SER CB C 51 63.424 63.424 65.415 -1.991 18905 9049 1 15 . 1 1 51 51 SER H H 51 8.623 8.623 8.303 0.320 18905 9050 1 15 . 1 1 52 52 SER N N 52 118.355 118.355 116.254 2.101 18905 9051 1 15 . 1 1 52 52 SER HA H 52 4.301 4.301 4.292 0.009 18905 9052 1 15 . 1 1 52 52 SER C C 52 173.242 173.242 175.423 -2.181 18905 9053 1 15 . 1 1 52 52 SER CA C 52 58.709 58.709 60.398 -1.689 18905 9054 1 15 . 1 1 52 52 SER CB C 52 59.826 59.826 63.039 -3.213 18905 9055 1 15 . 1 1 52 52 SER H H 52 9.117 9.117 8.651 0.466 18905 9056 1 15 . 1 1 53 53 SER N N 53 114.926 114.926 115.294 -0.368 18905 9057 1 15 . 1 1 53 53 SER HA H 53 4.292 4.292 4.283 0.009 18905 9058 1 15 . 1 1 53 53 SER CA C 53 57.882 57.882 60.862 -2.981 18905 9059 1 15 . 1 1 53 53 SER CB C 53 60.220 60.220 63.079 -2.859 18905 9060 1 15 . 1 1 53 53 SER H H 53 8.014 8.014 7.884 0.130 18905 9061 1 15 . 1 1 54 54 ASN N N 54 116.432 116.432 119.643 -3.211 18905 9062 1 15 . 1 1 54 54 ASN HA H 54 4.914 4.914 4.550 0.364 18905 9063 1 15 . 1 1 54 54 ASN C C 54 170.744 170.744 176.288 -5.544 18905 9064 1 15 . 1 1 54 54 ASN CA C 54 52.054 52.054 55.565 -3.511 18905 9065 1 15 . 1 1 54 54 ASN CB C 54 38.952 38.952 38.878 0.074 18905 9066 1 15 . 1 1 54 54 ASN H H 54 7.996 7.996 7.747 0.249 18905 9067 1 15 . 1 1 55 55 VAL N N 55 118.877 118.877 121.886 -3.009 18905 9068 1 15 . 1 1 55 55 VAL HA H 55 4.891 4.891 4.315 0.576 18905 9069 1 15 . 1 1 55 55 VAL C C 55 171.238 171.238 174.674 -3.436 18905 9070 1 15 . 1 1 55 55 VAL CA C 55 58.709 58.709 61.383 -2.674 18905 9071 1 15 . 1 1 55 55 VAL CB C 55 31.652 31.652 31.143 0.509 18905 9072 1 15 . 1 1 55 55 VAL H H 55 7.421 7.421 7.251 0.170 18905 9073 1 15 . 1 1 56 56 ARG N N 56 125.757 125.757 128.958 -3.201 18905 9074 1 15 . 1 1 56 56 ARG HA H 56 4.708 4.708 4.459 0.249 18905 9075 1 15 . 1 1 56 56 ARG C C 56 172.321 172.321 175.394 -3.073 18905 9076 1 15 . 1 1 56 56 ARG CA C 56 51.878 51.878 54.023 -2.145 18905 9077 1 15 . 1 1 56 56 ARG CB C 56 30.211 30.211 30.221 -0.010 18905 9078 1 15 . 1 1 56 56 ARG H H 56 9.011 9.011 8.122 0.889 18905 9079 1 15 . 1 1 57 57 VAL N N 57 125.646 125.646 127.966 -2.320 18905 9080 1 15 . 1 1 57 57 VAL HA H 57 3.878 3.878 3.891 -0.013 18905 9081 1 15 . 1 1 57 57 VAL C C 57 172.129 172.129 175.132 -3.003 18905 9082 1 15 . 1 1 57 57 VAL CA C 57 59.043 59.043 62.725 -3.682 18905 9083 1 15 . 1 1 57 57 VAL CB C 57 30.019 30.019 31.459 -1.440 18905 9084 1 15 . 1 1 57 57 VAL H H 57 8.794 8.794 8.258 0.536 18905 9085 1 15 . 1 1 58 58 ILE N N 58 127.547 127.547 128.875 -1.328 18905 9086 1 15 . 1 1 58 58 ILE HA H 58 4.049 4.049 4.026 0.023 18905 9087 1 15 . 1 1 58 58 ILE C C 58 172.672 172.672 175.539 -2.867 18905 9088 1 15 . 1 1 58 58 ILE CA C 58 57.246 57.246 61.042 -3.796 18905 9089 1 15 . 1 1 58 58 ILE CB C 58 32.839 32.839 37.073 -4.234 18905 9090 1 15 . 1 1 58 58 ILE H H 58 7.259 7.259 7.746 -0.487 18905 9091 1 15 . 1 1 59 59 LYS N N 59 127.231 127.231 124.160 3.071 18905 9092 1 15 . 1 1 59 59 LYS HA H 59 4.532 4.532 4.839 -0.307 18905 9093 1 15 . 1 1 59 59 LYS C C 59 173.119 173.119 175.276 -2.157 18905 9094 1 15 . 1 1 59 59 LYS CA C 59 52.444 52.444 54.395 -1.951 18905 9095 1 15 . 1 1 59 59 LYS CB C 59 32.374 32.374 35.562 -3.188 18905 9096 1 15 . 1 1 59 59 LYS H H 59 8.571 8.571 8.125 0.446 18905 9097 1 15 . 1 1 60 60 ASP N N 60 123.232 123.232 120.491 2.741 18905 9098 1 15 . 1 1 60 60 ASP HA H 60 4.496 4.496 4.717 -0.221 18905 9099 1 15 . 1 1 60 60 ASP C C 60 174.118 174.118 176.324 -2.206 18905 9100 1 15 . 1 1 60 60 ASP CA C 60 50.786 50.786 53.467 -2.680 18905 9101 1 15 . 1 1 60 60 ASP CB C 60 40.058 40.058 42.565 -2.507 18905 9102 1 15 . 1 1 60 60 ASP H H 60 8.527 8.527 8.680 -0.153 18905 9103 1 15 . 1 1 61 61 LYS N N 61 125.977 125.977 120.373 5.604 18905 9104 1 15 . 1 1 61 61 LYS HA H 61 3.918 3.918 4.296 -0.378 18905 9105 1 15 . 1 1 61 61 LYS C C 61 174.696 174.696 177.601 -2.905 18905 9106 1 15 . 1 1 61 61 LYS CA C 61 56.017 56.017 57.617 -1.600 18905 9107 1 15 . 1 1 61 61 LYS CB C 61 29.813 29.813 33.169 -3.356 18905 9108 1 15 . 1 1 61 61 LYS H H 61 8.770 8.770 8.490 0.280 18905 9109 1 15 . 1 1 62 62 GLN N N 62 116.732 116.732 118.389 -1.657 18905 9110 1 15 . 1 1 62 62 GLN HA H 62 4.252 4.252 4.192 0.060 18905 9111 1 15 . 1 1 62 62 GLN C C 62 174.793 174.793 176.805 -2.012 18905 9112 1 15 . 1 1 62 62 GLN CA C 62 55.001 55.001 57.403 -2.402 18905 9113 1 15 . 1 1 62 62 GLN CB C 62 26.516 26.516 29.612 -3.096 18905 9114 1 15 . 1 1 62 62 GLN H H 62 8.538 8.538 8.503 0.035 18905 9115 1 15 . 1 1 63 63 THR N N 63 108.519 108.519 111.370 -2.851 18905 9116 1 15 . 1 1 63 63 THR HA H 63 4.265 4.265 4.566 -0.301 18905 9117 1 15 . 1 1 63 63 THR CA C 63 59.302 59.302 60.101 -0.799 18905 9118 1 15 . 1 1 63 63 THR CB C 63 67.891 67.891 71.018 -3.127 18905 9119 1 15 . 1 1 63 63 THR H H 63 7.882 7.882 8.197 -0.315 18905 9120 1 15 . 1 1 64 64 GLN N N 64 113.890 113.890 119.293 -5.403 18905 9121 1 15 . 1 1 64 64 GLN HA H 64 3.829 3.829 4.654 -0.825 18905 9122 1 15 . 1 1 64 64 GLN C C 64 172.129 172.129 174.832 -2.703 18905 9123 1 15 . 1 1 64 64 GLN CA C 64 54.560 54.560 54.949 -0.389 18905 9124 1 15 . 1 1 64 64 GLN CB C 64 23.812 23.812 28.252 -4.440 18905 9125 1 15 . 1 1 64 64 GLN H H 64 8.188 8.188 8.557 -0.369 18905 9126 1 15 . 1 1 65 65 LEU N N 65 119.516 119.516 119.885 -0.369 18905 9127 1 15 . 1 1 65 65 LEU HA H 65 4.463 4.463 4.672 -0.209 18905 9128 1 15 . 1 1 65 65 LEU C C 65 174.174 174.174 175.677 -1.503 18905 9129 1 15 . 1 1 65 65 LEU CA C 65 51.024 51.024 53.018 -1.994 18905 9130 1 15 . 1 1 65 65 LEU CB C 65 39.608 39.608 45.455 -5.847 18905 9131 1 15 . 1 1 65 65 LEU H H 65 7.682 7.682 7.598 0.084 18905 9132 1 15 . 1 1 66 66 ASN N N 66 117.776 117.776 118.386 -0.610 18905 9133 1 15 . 1 1 66 66 ASN HA H 66 4.958 4.958 4.772 0.186 18905 9134 1 15 . 1 1 66 66 ASN C C 66 171.913 171.913 175.916 -4.003 18905 9135 1 15 . 1 1 66 66 ASN CA C 66 50.440 50.440 53.434 -2.994 18905 9136 1 15 . 1 1 66 66 ASN CB C 66 36.771 36.771 39.050 -2.279 18905 9137 1 15 . 1 1 66 66 ASN H H 66 8.771 8.771 8.278 0.493 18905 9138 1 15 . 1 1 67 67 ARG N N 67 117.508 117.508 120.009 -2.501 18905 9139 1 15 . 1 1 67 67 ARG HA H 67 4.193 4.193 4.572 -0.379 18905 9140 1 15 . 1 1 67 67 ARG CA C 67 53.615 53.615 55.758 -2.143 18905 9141 1 15 . 1 1 67 67 ARG CB C 67 28.137 28.137 30.640 -2.503 18905 9142 1 15 . 1 1 67 67 ARG H H 67 8.313 8.313 8.523 -0.210 18905 9143 1 15 . 1 1 68 68 GLY N N 68 107.904 107.904 108.570 -0.666 18905 9144 1 15 . 1 1 68 68 GLY CA C 68 42.842 42.842 45.998 -3.156 18905 9145 1 15 . 1 1 68 68 GLY H H 68 9.437 9.437 8.476 0.961 18905 9146 1 15 . 1 1 69 69 PHE N N 69 113.804 113.804 114.871 -1.067 18905 9147 1 15 . 1 1 69 69 PHE HA H 69 5.754 5.754 5.475 0.279 18905 9148 1 15 . 1 1 69 69 PHE C C 69 170.151 170.151 172.585 -2.434 18905 9149 1 15 . 1 1 69 69 PHE CA C 69 51.625 51.625 54.496 -2.871 18905 9150 1 15 . 1 1 69 69 PHE CB C 69 39.587 39.587 40.654 -1.067 18905 9151 1 15 . 1 1 69 69 PHE H H 69 6.750 6.750 7.594 -0.844 18905 9152 1 15 . 1 1 70 70 ALA N N 70 118.965 118.965 119.278 -0.313 18905 9153 1 15 . 1 1 70 70 ALA HA H 70 4.807 4.807 3.913 0.894 18905 9154 1 15 . 1 1 70 70 ALA C C 70 171.693 171.693 174.185 -2.492 18905 9155 1 15 . 1 1 70 70 ALA CA C 70 47.155 47.155 51.361 -4.206 18905 9156 1 15 . 1 1 70 70 ALA CB C 70 21.153 21.153 21.526 -0.373 18905 9157 1 15 . 1 1 70 70 ALA H H 70 8.526 8.526 7.465 1.061 18905 9158 1 15 . 1 1 71 71 PHE N N 71 117.469 117.469 117.386 0.083 18905 9159 1 15 . 1 1 71 71 PHE HA H 71 5.537 5.537 5.322 0.215 18905 9160 1 15 . 1 1 71 71 PHE C C 71 172.630 172.630 174.962 -2.332 18905 9161 1 15 . 1 1 71 71 PHE CA C 71 52.609 52.609 55.876 -3.267 18905 9162 1 15 . 1 1 71 71 PHE CB C 71 39.675 39.675 43.574 -3.899 18905 9163 1 15 . 1 1 71 71 PHE H H 71 8.824 8.824 8.054 0.770 18905 9164 1 15 . 1 1 72 72 ILE N N 72 122.867 122.867 119.510 3.357 18905 9165 1 15 . 1 1 72 72 ILE HA H 72 5.022 5.022 4.738 0.284 18905 9166 1 15 . 1 1 72 72 ILE CA C 72 56.881 56.881 60.532 -3.651 18905 9167 1 15 . 1 1 72 72 ILE CB C 72 37.031 37.031 41.053 -4.022 18905 9168 1 15 . 1 1 72 72 ILE H H 72 9.555 9.555 8.570 0.985 18905 9169 1 15 . 1 1 73 73 GLN N N 73 128.422 128.422 126.763 1.659 18905 9170 1 15 . 1 1 73 73 GLN HA H 73 5.170 5.170 4.501 0.669 18905 9171 1 15 . 1 1 73 73 GLN CA C 73 52.252 52.252 55.677 -3.425 18905 9172 1 15 . 1 1 73 73 GLN CB C 73 28.291 28.291 30.044 -1.752 18905 9173 1 15 . 1 1 73 73 GLN H H 73 8.964 8.964 8.117 0.847 18905 9174 1 15 . 1 1 74 74 LEU N N 74 126.707 126.707 125.022 1.685 18905 9175 1 15 . 1 1 74 74 LEU HA H 74 4.789 4.789 4.631 0.158 18905 9176 1 15 . 1 1 74 74 LEU CA C 74 50.617 50.617 54.130 -3.513 18905 9177 1 15 . 1 1 74 74 LEU CB C 74 44.885 44.885 46.160 -1.275 18905 9178 1 15 . 1 1 74 74 LEU H H 74 8.420 8.420 8.469 -0.049 18905 9179 1 15 . 1 1 75 75 SER HA H 75 4.284 4.284 4.635 -0.351 18905 9180 1 15 . 1 1 75 75 SER CA C 75 55.390 55.390 58.477 -3.087 18905 9181 1 15 . 1 1 75 75 SER CB C 75 61.275 61.275 63.803 -2.528 18905 9182 1 15 . 1 1 76 76 THR N N 76 116.193 116.193 116.809 -0.616 18905 9183 1 15 . 1 1 76 76 THR HA H 76 3.994 3.994 4.058 -0.064 18905 9184 1 15 . 1 1 76 76 THR C C 76 174.630 174.630 176.849 -2.219 18905 9185 1 15 . 1 1 76 76 THR CA C 76 64.225 64.225 65.504 -1.279 18905 9186 1 15 . 1 1 76 76 THR CB C 76 66.003 66.003 68.779 -2.776 18905 9187 1 15 . 1 1 76 76 THR H H 76 8.614 8.614 8.518 0.096 18905 9188 1 15 . 1 1 77 77 ILE N N 77 120.400 120.400 120.680 -0.280 18905 9189 1 15 . 1 1 77 77 ILE HA H 77 3.911 3.911 3.973 -0.062 18905 9190 1 15 . 1 1 77 77 ILE C C 77 175.577 175.577 177.679 -2.102 18905 9191 1 15 . 1 1 77 77 ILE CA C 77 61.264 61.264 64.328 -3.064 18905 9192 1 15 . 1 1 77 77 ILE CB C 77 35.379 35.379 37.430 -2.051 18905 9193 1 15 . 1 1 77 77 ILE H H 77 8.044 8.044 7.984 0.060 18905 9194 1 15 . 1 1 78 78 GLU N N 78 120.562 120.562 120.159 0.403 18905 9195 1 15 . 1 1 78 78 GLU HA H 78 4.062 4.062 4.139 -0.077 18905 9196 1 15 . 1 1 78 78 GLU C C 78 176.596 176.596 178.665 -2.069 18905 9197 1 15 . 1 1 78 78 GLU CA C 78 56.355 56.355 58.812 -2.457 18905 9198 1 15 . 1 1 78 78 GLU CB C 78 27.668 27.668 29.004 -1.336 18905 9199 1 15 . 1 1 78 78 GLU H H 78 7.548 7.548 8.609 -1.061 18905 9200 1 15 . 1 1 79 79 ALA N N 79 122.789 122.789 120.849 1.940 18905 9201 1 15 . 1 1 79 79 ALA HA H 79 3.923 3.923 4.515 -0.592 18905 9202 1 15 . 1 1 79 79 ALA C C 79 175.736 175.736 175.911 -0.175 18905 9203 1 15 . 1 1 79 79 ALA CA C 79 52.649 52.649 52.009 0.640 18905 9204 1 15 . 1 1 79 79 ALA CB C 79 15.305 15.305 17.210 -1.905 18905 9205 1 15 . 1 1 79 79 ALA H H 79 9.279 9.279 8.193 1.086 18905 9206 1 15 . 1 1 80 80 ALA N N 80 118.643 118.643 121.366 -2.723 18905 9207 1 15 . 1 1 80 80 ALA HA H 80 4.001 4.001 4.127 -0.126 18905 9208 1 15 . 1 1 80 80 ALA C C 80 177.943 177.943 178.803 -0.860 18905 9209 1 15 . 1 1 80 80 ALA CA C 80 52.521 52.521 53.318 -0.797 18905 9210 1 15 . 1 1 80 80 ALA CB C 80 15.281 15.281 19.657 -4.376 18905 9211 1 15 . 1 1 80 80 ALA H H 80 7.688 7.688 8.183 -0.495 18905 9212 1 15 . 1 1 81 81 GLN N N 81 116.877 116.877 121.446 -4.569 18905 9213 1 15 . 1 1 81 81 GLN HA H 81 4.015 4.015 4.381 -0.366 18905 9214 1 15 . 1 1 81 81 GLN CA C 81 55.760 55.760 58.307 -2.547 18905 9215 1 15 . 1 1 81 81 GLN CB C 81 25.786 25.786 28.598 -2.812 18905 9216 1 15 . 1 1 81 81 GLN H H 81 7.593 7.593 7.797 -0.204 18905 9217 1 15 . 1 1 82 82 LEU N N 82 119.946 119.946 121.419 -1.473 18905 9218 1 15 . 1 1 82 82 LEU HA H 82 4.121 4.121 3.973 0.148 18905 9219 1 15 . 1 1 82 82 LEU C C 82 175.358 175.358 179.126 -3.768 18905 9220 1 15 . 1 1 82 82 LEU CA C 82 54.781 54.781 57.543 -2.762 18905 9221 1 15 . 1 1 82 82 LEU CB C 82 38.240 38.240 41.773 -3.533 18905 9222 1 15 . 1 1 82 82 LEU H H 82 8.258 8.258 7.676 0.582 18905 9223 1 15 . 1 1 83 83 LEU N N 83 119.288 119.288 118.433 0.855 18905 9224 1 15 . 1 1 83 83 LEU HA H 83 3.585 3.585 4.005 -0.420 18905 9225 1 15 . 1 1 83 83 LEU C C 83 175.365 175.365 178.534 -3.169 18905 9226 1 15 . 1 1 83 83 LEU CA C 83 56.142 56.142 58.303 -2.160 18905 9227 1 15 . 1 1 83 83 LEU CB C 83 38.875 38.875 41.865 -2.990 18905 9228 1 15 . 1 1 83 83 LEU H H 83 8.407 8.407 8.163 0.244 18905 9229 1 15 . 1 1 84 84 GLN N N 84 115.391 115.391 117.959 -2.568 18905 9230 1 15 . 1 1 84 84 GLN HA H 84 3.878 3.878 4.045 -0.167 18905 9231 1 15 . 1 1 84 84 GLN C C 84 176.472 176.472 179.058 -2.586 18905 9232 1 15 . 1 1 84 84 GLN CA C 84 56.142 56.142 58.940 -2.797 18905 9233 1 15 . 1 1 84 84 GLN CB C 84 25.733 25.733 28.125 -2.392 18905 9234 1 15 . 1 1 84 84 GLN H H 84 7.347 7.347 7.649 -0.302 18905 9235 1 15 . 1 1 85 85 ILE N N 85 119.593 119.593 120.073 -0.480 18905 9236 1 15 . 1 1 85 85 ILE HA H 85 3.607 3.607 3.610 -0.003 18905 9237 1 15 . 1 1 85 85 ILE CA C 85 61.779 61.779 64.384 -2.605 18905 9238 1 15 . 1 1 85 85 ILE CB C 85 35.948 35.948 37.542 -1.594 18905 9239 1 15 . 1 1 85 85 ILE H H 85 7.650 7.650 7.372 0.278 18905 9240 1 15 . 1 1 86 86 LEU N N 86 116.537 116.537 119.998 -3.461 18905 9241 1 15 . 1 1 86 86 LEU HA H 86 3.757 3.757 4.037 -0.280 18905 9242 1 15 . 1 1 86 86 LEU C C 86 177.610 177.610 179.116 -1.506 18905 9243 1 15 . 1 1 86 86 LEU CA C 86 54.521 54.521 58.233 -3.712 18905 9244 1 15 . 1 1 86 86 LEU CB C 86 39.226 39.226 41.584 -2.358 18905 9245 1 15 . 1 1 86 86 LEU H H 86 8.410 8.410 8.104 0.306 18905 9246 1 15 . 1 1 87 87 GLN N N 87 115.959 115.959 116.576 -0.617 18905 9247 1 15 . 1 1 87 87 GLN HA H 87 4.009 4.009 4.177 -0.168 18905 9248 1 15 . 1 1 87 87 GLN C C 87 174.156 174.156 176.243 -2.087 18905 9249 1 15 . 1 1 87 87 GLN CA C 87 55.735 55.735 57.138 -1.403 18905 9250 1 15 . 1 1 87 87 GLN CB C 87 25.516 25.516 28.449 -2.933 18905 9251 1 15 . 1 1 87 87 GLN H H 87 8.406 8.406 7.695 0.711 18905 9252 1 15 . 1 1 88 88 ALA N N 88 120.044 120.044 121.265 -1.221 18905 9253 1 15 . 1 1 88 88 ALA HA H 88 4.338 4.338 4.566 -0.228 18905 9254 1 15 . 1 1 88 88 ALA C C 88 174.373 174.373 176.273 -1.900 18905 9255 1 15 . 1 1 88 88 ALA CA C 88 48.933 48.933 52.084 -3.151 18905 9256 1 15 . 1 1 88 88 ALA CB C 88 16.681 16.681 19.929 -3.248 18905 9257 1 15 . 1 1 88 88 ALA H H 88 7.110 7.110 7.449 -0.339 18905 9258 1 15 . 1 1 89 89 LEU N N 89 119.696 119.696 118.139 1.557 18905 9259 1 15 . 1 1 89 89 LEU HA H 89 3.929 3.929 4.842 -0.913 18905 9260 1 15 . 1 1 89 89 LEU C C 89 175.387 175.387 174.625 0.762 18905 9261 1 15 . 1 1 89 89 LEU CA C 89 53.364 53.364 55.200 -1.836 18905 9262 1 15 . 1 1 89 89 LEU CB C 89 39.775 39.775 44.232 -4.457 18905 9263 1 15 . 1 1 89 89 LEU H H 89 6.693 6.693 7.408 -0.715 18905 9264 1 15 . 1 1 90 90 HIS N N 90 120.136 120.136 119.526 0.610 18905 9265 1 15 . 1 1 90 90 HIS HA H 90 4.419 4.419 4.938 -0.519 18905 9266 1 15 . 1 1 90 90 HIS CA C 90 50.226 50.226 54.545 -4.319 18905 9267 1 15 . 1 1 90 90 HIS CB C 90 27.853 27.853 31.182 -3.329 18905 9268 1 15 . 1 1 90 90 HIS H H 90 8.299 8.299 8.542 -0.243 18905 9269 1 15 . 1 1 91 91 PRO HA H 91 4.367 4.367 4.767 -0.400 18905 9270 1 15 . 1 1 91 91 PRO CA C 91 60.550 60.550 61.307 -0.757 18905 9271 1 15 . 1 1 91 91 PRO CB C 91 29.416 29.416 32.030 -2.614 18905 9272 1 15 . 1 1 92 92 PRO HA H 92 4.815 4.815 4.300 0.515 18905 9273 1 15 . 1 1 92 92 PRO CA C 92 59.812 59.812 63.072 -3.260 18905 9274 1 15 . 1 1 92 92 PRO CB C 92 30.119 30.119 31.861 -1.742 18905 9275 1 15 . 1 1 93 93 LEU N N 93 121.469 121.469 121.846 -0.377 18905 9276 1 15 . 1 1 93 93 LEU HA H 93 3.954 3.954 4.481 -0.527 18905 9277 1 15 . 1 1 93 93 LEU CA C 93 53.500 53.500 53.998 -0.498 18905 9278 1 15 . 1 1 93 93 LEU CB C 93 39.889 39.889 39.876 0.013 18905 9279 1 15 . 1 1 93 93 LEU H H 93 8.404 8.404 7.804 0.600 18905 9280 1 15 . 1 1 94 94 THR HA H 94 5.276 5.276 4.502 0.774 18905 9281 1 15 . 1 1 94 94 THR CA C 94 57.077 57.077 63.027 -5.950 18905 9282 1 15 . 1 1 94 94 THR CB C 94 69.076 69.076 70.085 -1.009 18905 9283 1 15 . 1 1 95 95 ILE N N 95 121.239 121.239 124.523 -3.284 18905 9284 1 15 . 1 1 95 95 ILE HA H 95 4.184 4.184 4.441 -0.257 18905 9285 1 15 . 1 1 95 95 ILE CA C 95 58.054 58.054 60.112 -2.058 18905 9286 1 15 . 1 1 95 95 ILE CB C 95 37.534 37.534 40.336 -2.802 18905 9287 1 15 . 1 1 95 95 ILE H H 95 8.317 8.317 8.497 -0.180 18905 9288 1 15 . 1 1 96 96 ASP N N 96 130.909 130.909 126.937 3.972 18905 9289 1 15 . 1 1 96 96 ASP HA H 96 4.292 4.292 4.323 -0.031 18905 9290 1 15 . 1 1 96 96 ASP CA C 96 53.001 53.001 56.082 -3.081 18905 9291 1 15 . 1 1 96 96 ASP CB C 96 37.114 37.114 40.095 -2.981 18905 9292 1 15 . 1 1 96 96 ASP H H 96 9.837 9.837 9.065 0.772 18905 9293 1 15 . 1 1 97 97 GLY N N 97 102.578 102.578 104.312 -1.734 18905 9294 1 15 . 1 1 97 97 GLY C C 97 170.992 170.992 173.529 -2.537 18905 9295 1 15 . 1 1 97 97 GLY CA C 97 42.754 42.754 44.837 -2.083 18905 9296 1 15 . 1 1 97 97 GLY H H 97 8.638 8.638 8.011 0.627 18905 9297 1 15 . 1 1 98 98 LYS N N 98 120.330 120.330 120.827 -0.497 18905 9298 1 15 . 1 1 98 98 LYS HA H 98 4.629 4.629 4.799 -0.170 18905 9299 1 15 . 1 1 98 98 LYS C C 98 172.675 172.675 175.579 -2.904 18905 9300 1 15 . 1 1 98 98 LYS CA C 98 50.304 50.304 54.265 -3.961 18905 9301 1 15 . 1 1 98 98 LYS CB C 98 31.136 31.136 33.549 -2.413 18905 9302 1 15 . 1 1 98 98 LYS H H 98 7.440 7.440 8.116 -0.676 18905 9303 1 15 . 1 1 99 99 THR N N 99 119.612 119.612 112.361 7.251 18905 9304 1 15 . 1 1 99 99 THR HA H 99 4.356 4.356 4.583 -0.227 18905 9305 1 15 . 1 1 99 99 THR C C 99 171.511 171.511 173.528 -2.017 18905 9306 1 15 . 1 1 99 99 THR CA C 99 60.382 60.382 60.270 0.112 18905 9307 1 15 . 1 1 99 99 THR CB C 99 65.967 65.967 71.573 -5.606 18905 9308 1 15 . 1 1 99 99 THR H H 99 8.626 8.626 8.371 0.255 18905 9309 1 15 . 1 1 100 100 ILE N N 100 129.389 129.389 120.175 9.214 18905 9310 1 15 . 1 1 100 100 ILE HA H 100 4.358 4.358 4.516 -0.158 18905 9311 1 15 . 1 1 100 100 ILE C C 100 172.710 172.710 175.256 -2.546 18905 9312 1 15 . 1 1 100 100 ILE CA C 100 55.202 55.202 59.165 -3.963 18905 9313 1 15 . 1 1 100 100 ILE CB C 100 34.925 34.925 37.696 -2.771 18905 9314 1 15 . 1 1 100 100 ILE H H 100 8.463 8.463 8.300 0.163 18905 9315 1 15 . 1 1 101 101 ASN N N 101 123.767 123.767 124.773 -1.006 18905 9316 1 15 . 1 1 101 101 ASN HA H 101 4.904 4.904 4.662 0.242 18905 9317 1 15 . 1 1 101 101 ASN C C 101 170.860 170.860 174.808 -3.948 18905 9318 1 15 . 1 1 101 101 ASN CA C 101 49.884 49.884 53.124 -3.240 18905 9319 1 15 . 1 1 101 101 ASN CB C 101 38.364 38.364 39.811 -1.447 18905 9320 1 15 . 1 1 101 101 ASN H H 101 7.878 7.878 8.434 -0.556 18905 9321 1 15 . 1 1 102 102 VAL N N 102 122.207 122.207 121.548 0.659 18905 9322 1 15 . 1 1 102 102 VAL HA H 102 4.933 4.933 4.246 0.687 18905 9323 1 15 . 1 1 102 102 VAL C C 102 175.222 175.222 174.880 0.342 18905 9324 1 15 . 1 1 102 102 VAL CA C 102 57.981 57.981 62.242 -4.261 18905 9325 1 15 . 1 1 102 102 VAL CB C 102 31.183 31.183 31.145 0.038 18905 9326 1 15 . 1 1 102 102 VAL H H 102 8.503 8.503 8.494 0.009 18905 9327 1 15 . 1 1 103 103 GLU N N 103 124.079 124.079 128.074 -3.995 18905 9328 1 15 . 1 1 103 103 GLU HA H 103 4.557 4.557 4.645 -0.088 18905 9329 1 15 . 1 1 103 103 GLU CA C 103 51.772 51.772 55.309 -3.537 18905 9330 1 15 . 1 1 103 103 GLU CB C 103 31.226 31.226 34.190 -2.964 18905 9331 1 15 . 1 1 103 103 GLU H H 103 8.627 8.627 8.578 0.049 18905 9332 1 15 . 1 1 104 104 PHE N N 104 121.287 121.287 119.330 1.957 18905 9333 1 15 . 1 1 104 104 PHE HA H 104 5.047 5.047 4.730 0.317 18905 9334 1 15 . 1 1 104 104 PHE C C 104 173.023 173.023 174.466 -1.443 18905 9335 1 15 . 1 1 104 104 PHE CA C 104 55.305 55.305 57.039 -1.734 18905 9336 1 15 . 1 1 104 104 PHE CB C 104 38.342 38.342 42.647 -4.305 18905 9337 1 15 . 1 1 104 104 PHE H H 104 8.778 8.778 8.454 0.324 18905 9338 1 15 . 1 1 105 105 ALA N N 105 127.703 127.703 125.660 2.043 18905 9339 1 15 . 1 1 105 105 ALA HA H 105 4.278 4.278 4.803 -0.525 18905 9340 1 15 . 1 1 105 105 ALA C C 105 172.939 172.939 176.433 -3.494 18905 9341 1 15 . 1 1 105 105 ALA CA C 105 48.936 48.936 51.929 -2.993 18905 9342 1 15 . 1 1 105 105 ALA CB C 105 17.822 17.822 19.909 -2.087 18905 9343 1 15 . 1 1 105 105 ALA H H 105 8.630 8.630 9.151 -0.521 18905 9344 1 15 . 1 1 106 106 LYS N N 106 121.259 121.259 119.687 1.572 18905 9345 1 15 . 1 1 106 106 LYS HA H 106 4.211 4.211 4.438 -0.227 18905 9346 1 15 . 1 1 106 106 LYS C C 106 174.939 174.939 176.651 -1.712 18905 9347 1 15 . 1 1 106 106 LYS CA C 106 52.995 52.995 55.798 -2.803 18905 9348 1 15 . 1 1 106 106 LYS CB C 106 30.290 30.290 32.449 -2.159 18905 9349 1 15 . 1 1 106 106 LYS H H 106 8.289 8.289 7.759 0.530 18905 9350 1 15 . 1 1 107 107 GLY N N 107 111.965 111.965 108.949 3.016 18905 9351 1 15 . 1 1 107 107 GLY C C 107 171.215 171.215 173.502 -2.287 18905 9352 1 15 . 1 1 107 107 GLY CA C 107 42.651 42.651 45.392 -2.740 18905 9353 1 15 . 1 1 107 107 GLY H H 107 8.921 8.921 8.326 0.595 18905 9354 1 15 . 1 1 108 108 SER N N 108 114.479 114.479 113.445 1.034 18905 9355 1 15 . 1 1 108 108 SER HA H 108 4.294 4.294 4.446 -0.152 18905 9356 1 15 . 1 1 108 108 SER C C 108 172.040 172.040 173.023 -0.983 18905 9357 1 15 . 1 1 108 108 SER CA C 108 55.336 55.336 57.896 -2.560 18905 9358 1 15 . 1 1 108 108 SER H H 108 8.197 8.197 7.714 0.483 18905 9359 1 15 . 1 1 109 109 LYS N N 109 123.374 123.374 121.867 1.507 18905 9360 1 15 . 1 1 109 109 LYS HA H 109 4.198 4.198 4.915 -0.717 18905 9361 1 15 . 1 1 109 109 LYS C C 109 173.967 173.967 174.712 -0.745 18905 9362 1 15 . 1 1 109 109 LYS CA C 109 53.730 53.730 55.383 -1.653 18905 9363 1 15 . 1 1 109 109 LYS CB C 109 30.137 30.137 35.047 -4.910 18905 9364 1 15 . 1 1 109 109 LYS H H 109 8.306 8.306 8.521 -0.215 18905 9365 1 15 . 1 1 110 110 ARG N N 110 134.189 134.189 120.010 14.179 18905 9366 1 15 . 1 1 110 110 ARG HA H 110 4.542 4.542 4.728 -0.186 18905 9367 1 15 . 1 1 110 110 ARG C C 110 173.119 173.119 174.053 -0.934 18905 9368 1 15 . 1 1 110 110 ARG CA C 110 52.474 52.474 55.166 -2.692 18905 9369 1 15 . 1 1 110 110 ARG CB C 110 32.296 32.296 32.782 -0.486 18905 9370 1 15 . 1 1 111 111 ASP N N 111 123.210 123.210 121.941 1.269 18905 9371 1 15 . 1 1 111 111 ASP HA H 111 4.519 4.519 4.727 -0.208 18905 9372 1 15 . 1 1 111 111 ASP C C 111 174.187 174.187 174.150 0.037 18905 9373 1 15 . 1 1 111 111 ASP CA C 111 52.307 52.307 53.636 -1.329 18905 9374 1 15 . 1 1 111 111 ASP CB C 111 40.206 40.206 42.072 -1.866 18905 9375 1 15 . 1 1 111 111 ASP H H 111 8.523 8.523 8.505 0.018 18905 9376 1 15 . 1 1 112 112 MET HA H 112 4.330 4.330 4.750 -0.420 18905 9377 1 15 . 1 1 112 112 MET CA C 112 53.074 53.074 56.673 -3.599 18905 9378 1 15 . 1 1 112 112 MET CB C 112 30.057 30.057 33.809 -3.752 18905 9379 1 15 . 1 1 113 113 ALA N N 113 124.061 124.061 128.534 -4.473 18905 9380 1 15 . 1 1 113 113 ALA HA H 113 4.229 4.229 4.581 -0.352 18905 9381 1 15 . 1 1 113 113 ALA C C 113 175.243 175.243 176.281 -1.038 18905 9382 1 15 . 1 1 113 113 ALA CA C 113 49.967 49.967 52.422 -2.455 18905 9383 1 15 . 1 1 113 113 ALA CB C 113 16.436 16.436 19.457 -3.021 18905 9384 1 15 . 1 1 113 113 ALA H H 113 8.214 8.214 8.443 -0.229 18905 9385 1 15 . 1 1 114 114 SER N N 114 114.286 114.286 117.368 -3.082 18905 9386 1 15 . 1 1 114 114 SER HA H 114 4.376 4.376 4.750 -0.374 18905 9387 1 15 . 1 1 114 114 SER CA C 114 55.596 55.596 58.294 -2.699 18905 9388 1 15 . 1 1 114 114 SER CB C 114 61.009 61.009 64.212 -3.203 18905 9389 1 15 . 1 1 114 114 SER H H 114 8.124 8.124 8.818 -0.694 18905 9390 1 15 . 1 1 119 119 ARG N N 119 122.813 122.813 126.598 -3.785 18905 9391 1 15 . 1 1 119 119 ARG HA H 119 4.294 4.294 4.605 -0.311 18905 9392 1 15 . 1 1 119 119 ARG C C 119 173.654 173.654 174.622 -0.968 18905 9393 1 15 . 1 1 119 119 ARG CA C 119 53.701 53.701 56.364 -2.663 18905 9394 1 15 . 1 1 119 119 ARG CB C 119 28.140 28.140 30.332 -2.192 18905 9395 1 15 . 1 1 119 119 ARG H H 119 8.246 8.246 8.689 -0.443 18905 9396 1 15 . 1 1 120 120 ILE N N 120 121.624 121.624 120.694 0.930 18905 9397 1 15 . 1 1 120 120 ILE HA H 120 4.099 4.099 4.596 -0.497 18905 9398 1 15 . 1 1 120 120 ILE C C 120 173.651 173.651 175.218 -1.567 18905 9399 1 15 . 1 1 120 120 ILE CA C 120 58.593 58.593 59.885 -1.292 18905 9400 1 15 . 1 1 120 120 ILE CB C 120 36.091 36.091 39.657 -3.566 18905 9401 1 15 . 1 1 120 120 ILE H H 120 8.084 8.084 8.047 0.037 18905 9402 1 15 . 1 1 121 121 SER N N 121 119.953 119.953 115.711 4.242 18905 9403 1 15 . 1 1 121 121 SER HA H 121 4.378 4.378 4.650 -0.272 18905 9404 1 15 . 1 1 121 121 SER C C 121 170.780 170.780 174.516 -3.736 18905 9405 1 15 . 1 1 121 121 SER CA C 121 55.506 55.506 57.140 -1.634 18905 9406 1 15 . 1 1 121 121 SER CB C 121 61.571 61.571 64.240 -2.669 18905 9407 1 15 . 1 1 121 121 SER H H 121 8.300 8.300 8.248 0.052 18905 9408 1 15 . 1 1 123 123 ALA N N 123 119.892 119.892 120.922 -1.030 18905 9409 1 15 . 1 1 123 123 ALA HA H 123 4.102 4.102 4.092 0.010 18905 9410 1 15 . 1 1 123 123 ALA CA C 123 58.473 58.473 53.338 5.135 18905 9411 1 15 . 1 1 123 123 ALA H H 123 8.305 8.305 8.414 -0.109 18905 9412 1 15 . 1 1 124 124 SER N N 124 122.264 122.264 110.666 11.598 18905 9413 1 15 . 1 1 124 124 SER HA H 124 4.384 4.384 4.553 -0.169 18905 9414 1 15 . 1 1 124 124 SER CA C 124 55.632 55.632 57.703 -2.071 18905 9415 1 15 . 1 1 124 124 SER CB C 124 60.925 60.925 64.037 -3.112 18905 9416 1 15 . 1 1 124 124 SER H H 124 8.353 8.353 7.687 0.666 18905 9417 1 15 . 1 1 125 125 VAL N N 125 121.433 121.433 120.605 0.828 18905 9418 1 15 . 1 1 125 125 VAL HA H 125 4.073 4.073 4.427 -0.354 18905 9419 1 15 . 1 1 125 125 VAL C C 125 173.240 173.240 174.238 -0.998 18905 9420 1 15 . 1 1 125 125 VAL CA C 125 59.588 59.588 62.458 -2.870 18905 9421 1 15 . 1 1 125 125 VAL CB C 125 30.198 30.198 33.930 -3.732 18905 9422 1 15 . 1 1 125 125 VAL H H 125 8.014 8.014 8.225 -0.211 18905 9423 1 15 . 1 1 126 126 ALA N N 126 127.185 127.185 127.586 -0.401 18905 9424 1 15 . 1 1 126 126 ALA HA H 126 4.278 4.278 4.694 -0.416 18905 9425 1 15 . 1 1 126 126 ALA C C 126 175.118 175.118 176.529 -1.411 18905 9426 1 15 . 1 1 126 126 ALA CA C 126 49.919 49.919 52.325 -2.406 18905 9427 1 15 . 1 1 126 126 ALA CB C 126 16.532 16.532 19.446 -2.914 18905 9428 1 15 . 1 1 126 126 ALA H H 126 8.277 8.277 8.449 -0.172 18905 9429 1 15 . 1 1 127 127 SER N N 127 115.148 115.148 113.931 1.217 18905 9430 1 15 . 1 1 127 127 SER HA H 127 4.420 4.420 4.634 -0.214 18905 9431 1 15 . 1 1 127 127 SER C C 127 172.168 172.168 174.244 -2.076 18905 9432 1 15 . 1 1 127 127 SER CA C 127 55.770 55.770 57.958 -2.188 18905 9433 1 15 . 1 1 127 127 SER CB C 127 58.992 58.992 63.741 -4.749 18905 9434 1 15 . 1 1 127 127 SER H H 127 8.249 8.249 7.990 0.259 18905 9435 1 15 . 1 1 128 128 THR N N 128 115.498 115.498 120.195 -4.697 18905 9436 1 15 . 1 1 128 128 THR C C 128 171.392 171.392 174.004 -2.612 18905 9437 1 15 . 1 1 128 128 THR CA C 128 59.083 59.083 63.362 -4.279 18905 9438 1 15 . 1 1 128 128 THR H H 128 8.050 8.050 7.879 0.171 18905 9439 1 15 . 1 1 129 129 ALA N N 129 126.543 126.543 129.609 -3.066 18905 9440 1 15 . 1 1 129 129 ALA HA H 129 4.236 4.236 4.783 -0.547 18905 9441 1 15 . 1 1 129 129 ALA C C 129 174.650 174.650 176.420 -1.770 18905 9442 1 15 . 1 1 129 129 ALA CA C 129 49.794 49.794 51.507 -1.712 18905 9443 1 15 . 1 1 129 129 ALA CB C 129 16.538 16.538 20.560 -4.022 18905 9444 1 15 . 1 1 129 129 ALA H H 129 8.160 8.160 8.430 -0.270 18905 9445 1 15 . 1 1 130 130 ILE N N 130 120.371 120.371 117.048 3.323 18905 9446 1 15 . 1 1 130 130 ILE HA H 130 4.099 4.099 5.115 -1.016 18905 9447 1 15 . 1 1 130 130 ILE C C 130 173.651 173.651 176.132 -2.481 18905 9448 1 15 . 1 1 130 130 ILE CA C 130 58.513 58.513 60.377 -1.864 18905 9449 1 15 . 1 1 130 130 ILE CB C 130 36.091 36.091 40.177 -4.086 18905 9450 1 15 . 1 1 130 130 ILE H H 130 8.043 8.043 8.869 -0.826 18905 9451 1 16 . 1 1 4 4 GLY N N 4 110.117 110.117 108.689 1.428 18905 9452 1 16 . 1 1 4 4 GLY C C 4 171.413 171.413 173.272 -1.859 18905 9453 1 16 . 1 1 4 4 GLY CA C 4 42.667 42.667 44.285 -1.618 18905 9454 1 16 . 1 1 4 4 GLY H H 4 8.391 8.391 8.637 -0.246 18905 9455 1 16 . 1 1 5 5 VAL N N 5 119.501 119.501 119.464 0.037 18905 9456 1 16 . 1 1 5 5 VAL HA H 5 4.018 4.018 4.375 -0.357 18905 9457 1 16 . 1 1 5 5 VAL C C 5 173.738 173.738 175.558 -1.820 18905 9458 1 16 . 1 1 5 5 VAL CA C 5 59.923 59.923 62.552 -2.629 18905 9459 1 16 . 1 1 5 5 VAL CB C 5 30.111 30.111 33.300 -3.189 18905 9460 1 16 . 1 1 5 5 VAL H H 5 7.951 7.951 8.193 -0.242 18905 9461 1 16 . 1 1 6 6 LEU N N 6 125.484 125.484 123.826 1.658 18905 9462 1 16 . 1 1 6 6 LEU HA H 6 4.280 4.280 5.111 -0.831 18905 9463 1 16 . 1 1 6 6 LEU C C 6 174.708 174.708 175.683 -0.975 18905 9464 1 16 . 1 1 6 6 LEU CA C 6 52.535 52.535 54.263 -1.728 18905 9465 1 16 . 1 1 6 6 LEU CB C 6 39.586 39.586 44.726 -5.140 18905 9466 1 16 . 1 1 6 6 LEU H H 6 8.248 8.248 8.671 -0.423 18905 9467 1 16 . 1 1 7 7 ALA N N 7 124.939 124.939 123.351 1.588 18905 9468 1 16 . 1 1 7 7 ALA HA H 7 4.234 4.234 5.251 -1.017 18905 9469 1 16 . 1 1 7 7 ALA C C 7 174.865 174.865 175.536 -0.671 18905 9470 1 16 . 1 1 7 7 ALA CA C 7 50.136 50.136 51.686 -1.550 18905 9471 1 16 . 1 1 7 7 ALA CB C 7 16.500 16.500 21.585 -5.085 18905 9472 1 16 . 1 1 7 7 ALA H H 7 8.241 8.241 8.703 -0.462 18905 9473 1 16 . 1 1 8 8 SER N N 8 117.901 117.901 114.485 3.416 18905 9474 1 16 . 1 1 8 8 SER HA H 8 4.377 4.377 5.068 -0.691 18905 9475 1 16 . 1 1 8 8 SER C C 8 172.221 172.221 172.873 -0.652 18905 9476 1 16 . 1 1 8 8 SER CA C 8 56.008 56.008 57.825 -1.817 18905 9477 1 16 . 1 1 8 8 SER CB C 8 61.008 61.008 65.103 -4.095 18905 9478 1 16 . 1 1 8 8 SER H H 8 8.347 8.347 8.984 -0.637 18905 9479 1 16 . 1 1 9 9 GLN N N 9 122.019 122.019 118.300 3.719 18905 9480 1 16 . 1 1 9 9 GLN HA H 9 4.302 4.302 5.141 -0.839 18905 9481 1 16 . 1 1 9 9 GLN C C 9 173.160 173.160 173.462 -0.302 18905 9482 1 16 . 1 1 9 9 GLN CA C 9 53.470 53.470 54.336 -0.866 18905 9483 1 16 . 1 1 9 9 GLN CB C 9 26.663 26.663 31.200 -4.537 18905 9484 1 16 . 1 1 9 9 GLN H H 9 8.240 8.240 8.775 -0.535 18905 9485 1 16 . 1 1 10 10 ALA N N 10 124.490 124.490 123.837 0.653 18905 9486 1 16 . 1 1 10 10 ALA HA H 10 4.238 4.238 4.591 -0.353 18905 9487 1 16 . 1 1 10 10 ALA C C 10 175.142 175.142 175.405 -0.263 18905 9488 1 16 . 1 1 10 10 ALA CA C 10 50.121 50.121 51.867 -1.746 18905 9489 1 16 . 1 1 10 10 ALA CB C 10 16.322 16.322 19.829 -3.507 18905 9490 1 16 . 1 1 10 10 ALA H H 10 8.132 8.132 8.453 -0.321 18905 9491 1 16 . 1 1 11 11 LEU N N 11 120.785 120.785 123.737 -2.952 18905 9492 1 16 . 1 1 11 11 LEU HA H 11 4.278 4.278 5.090 -0.812 18905 9493 1 16 . 1 1 11 11 LEU C C 11 174.929 174.929 175.811 -0.882 18905 9494 1 16 . 1 1 11 11 LEU CA C 11 52.612 52.612 54.605 -1.993 18905 9495 1 16 . 1 1 11 11 LEU CB C 11 39.647 39.647 44.885 -5.238 18905 9496 1 16 . 1 1 11 11 LEU H H 11 8.088 8.088 8.591 -0.503 18905 9497 1 16 . 1 1 12 12 SER N N 12 116.121 116.121 118.278 -2.157 18905 9498 1 16 . 1 1 12 12 SER C C 12 171.977 171.977 173.173 -1.196 18905 9499 1 16 . 1 1 12 12 SER CA C 12 55.621 55.621 57.882 -2.261 18905 9500 1 16 . 1 1 12 12 SER CB C 12 56.041 56.041 64.821 -8.780 18905 9501 1 16 . 1 1 12 12 SER H H 12 8.170 8.170 8.579 -0.409 18905 9502 1 16 . 1 1 13 13 GLN N N 13 122.139 122.139 121.093 1.046 18905 9503 1 16 . 1 1 13 13 GLN HA H 13 4.312 4.312 4.957 -0.645 18905 9504 1 16 . 1 1 13 13 GLN CA C 13 54.059 54.059 55.116 -1.057 18905 9505 1 16 . 1 1 13 13 GLN H H 13 8.368 8.368 8.740 -0.372 18905 9506 1 16 . 1 1 14 14 GLY N N 14 109.259 109.259 110.497 -1.238 18905 9507 1 16 . 1 1 14 14 GLY CA C 14 42.970 42.970 45.172 -2.202 18905 9508 1 16 . 1 1 14 14 GLY H H 14 8.378 8.378 8.665 -0.287 18905 9509 1 16 . 1 1 15 15 SER N N 15 115.486 115.486 115.425 0.061 18905 9510 1 16 . 1 1 15 15 SER HA H 15 4.378 4.378 5.161 -0.783 18905 9511 1 16 . 1 1 15 15 SER CA C 15 55.853 55.853 57.239 -1.386 18905 9512 1 16 . 1 1 15 15 SER CB C 15 59.406 59.406 66.100 -6.694 18905 9513 1 16 . 1 1 15 15 SER H H 15 8.085 8.085 8.252 -0.167 18905 9514 1 16 . 1 1 16 16 GLU N N 16 120.501 120.501 122.507 -2.006 18905 9515 1 16 . 1 1 16 16 GLU HA H 16 4.664 4.664 4.620 0.044 18905 9516 1 16 . 1 1 16 16 GLU CA C 16 50.628 50.628 54.663 -4.035 18905 9517 1 16 . 1 1 16 16 GLU CB C 16 36.442 36.442 29.803 6.639 18905 9518 1 16 . 1 1 16 16 GLU H H 16 8.376 8.376 8.680 -0.304 18905 9519 1 16 . 1 1 17 17 PRO CA C 17 65.700 65.700 62.706 2.994 18905 9520 1 16 . 1 1 22 22 ALA N N 22 124.130 124.130 124.835 -0.705 18905 9521 1 16 . 1 1 22 22 ALA HA H 22 4.178 4.178 4.561 -0.383 18905 9522 1 16 . 1 1 22 22 ALA CA C 22 49.746 49.746 51.857 -2.111 18905 9523 1 16 . 1 1 22 22 ALA CB C 22 16.789 16.789 18.928 -2.139 18905 9524 1 16 . 1 1 22 22 ALA H H 22 8.096 8.096 8.401 -0.305 18905 9525 1 16 . 1 1 23 23 ASN N N 23 117.516 117.516 119.341 -1.825 18905 9526 1 16 . 1 1 23 23 ASN HA H 23 4.672 4.672 4.846 -0.174 18905 9527 1 16 . 1 1 23 23 ASN C C 23 171.179 171.179 173.042 -1.863 18905 9528 1 16 . 1 1 23 23 ASN CA C 23 50.084 50.084 51.871 -1.787 18905 9529 1 16 . 1 1 23 23 ASN CB C 23 36.737 36.737 40.956 -4.218 18905 9530 1 16 . 1 1 23 23 ASN H H 23 8.037 8.037 8.148 -0.111 18905 9531 1 16 . 1 1 24 24 ASP N N 24 118.387 118.387 118.105 0.282 18905 9532 1 16 . 1 1 24 24 ASP HA H 24 4.676 4.676 4.911 -0.235 18905 9533 1 16 . 1 1 24 24 ASP CA C 24 50.660 50.660 53.688 -3.029 18905 9534 1 16 . 1 1 24 24 ASP CB C 24 40.670 40.670 43.439 -2.769 18905 9535 1 16 . 1 1 24 24 ASP H H 24 8.198 8.198 8.400 -0.202 18905 9536 1 16 . 1 1 25 25 THR N N 25 114.224 114.224 115.851 -1.627 18905 9537 1 16 . 1 1 25 25 THR HA H 25 5.275 5.275 4.770 0.505 18905 9538 1 16 . 1 1 25 25 THR CA C 25 59.162 59.162 61.895 -2.733 18905 9539 1 16 . 1 1 25 25 THR CB C 25 68.849 68.849 72.145 -3.296 18905 9540 1 16 . 1 1 25 25 THR H H 25 8.090 8.090 7.886 0.204 18905 9541 1 16 . 1 1 26 26 ILE N N 26 126.637 126.637 121.922 4.715 18905 9542 1 16 . 1 1 26 26 ILE HA H 26 4.650 4.650 4.660 -0.010 18905 9543 1 16 . 1 1 26 26 ILE C C 26 171.500 171.500 173.960 -2.460 18905 9544 1 16 . 1 1 26 26 ILE CA C 26 56.930 56.930 59.008 -2.078 18905 9545 1 16 . 1 1 26 26 ILE CB C 26 38.159 38.159 40.839 -2.680 18905 9546 1 16 . 1 1 26 26 ILE H H 26 9.314 9.314 9.060 0.254 18905 9547 1 16 . 1 1 27 27 ILE N N 27 126.764 126.764 123.921 2.843 18905 9548 1 16 . 1 1 27 27 ILE HA H 27 4.955 4.955 5.132 -0.177 18905 9549 1 16 . 1 1 27 27 ILE C C 27 171.462 171.462 174.000 -2.538 18905 9550 1 16 . 1 1 27 27 ILE CA C 27 56.909 56.909 58.877 -1.968 18905 9551 1 16 . 1 1 27 27 ILE CB C 27 38.397 38.397 42.365 -3.969 18905 9552 1 16 . 1 1 27 27 ILE H H 27 9.280 9.280 8.011 1.269 18905 9553 1 16 . 1 1 28 28 LEU N N 28 125.666 125.666 122.840 2.826 18905 9554 1 16 . 1 1 28 28 LEU HA H 28 4.858 4.858 5.074 -0.216 18905 9555 1 16 . 1 1 28 28 LEU C C 28 172.714 172.714 175.492 -2.778 18905 9556 1 16 . 1 1 28 28 LEU CA C 28 50.153 50.153 54.012 -3.859 18905 9557 1 16 . 1 1 28 28 LEU CB C 28 39.943 39.943 46.123 -6.180 18905 9558 1 16 . 1 1 28 28 LEU H H 28 8.791 8.791 7.964 0.827 18905 9559 1 16 . 1 1 29 29 ARG N N 29 119.656 119.656 117.869 1.787 18905 9560 1 16 . 1 1 29 29 ARG HA H 29 5.023 5.023 4.944 0.079 18905 9561 1 16 . 1 1 29 29 ARG C C 29 172.927 172.927 176.106 -3.179 18905 9562 1 16 . 1 1 29 29 ARG CA C 29 51.933 51.933 54.382 -2.449 18905 9563 1 16 . 1 1 29 29 ARG CB C 29 31.298 31.298 34.042 -2.744 18905 9564 1 16 . 1 1 29 29 ARG H H 29 8.742 8.742 8.261 0.481 18905 9565 1 16 . 1 1 30 30 ASN N N 30 115.104 115.104 116.123 -1.019 18905 9566 1 16 . 1 1 30 30 ASN HA H 30 4.319 4.319 4.365 -0.046 18905 9567 1 16 . 1 1 30 30 ASN C C 30 172.025 172.025 174.023 -1.998 18905 9568 1 16 . 1 1 30 30 ASN CA C 30 51.550 51.550 53.975 -2.425 18905 9569 1 16 . 1 1 30 30 ASN CB C 30 35.656 35.656 37.752 -2.096 18905 9570 1 16 . 1 1 30 30 ASN H H 30 8.292 8.292 8.849 -0.557 18905 9571 1 16 . 1 1 31 31 LEU N N 31 113.394 113.394 114.763 -1.369 18905 9572 1 16 . 1 1 31 31 LEU HA H 31 3.915 3.915 4.277 -0.362 18905 9573 1 16 . 1 1 31 31 LEU C C 31 175.815 175.815 176.256 -0.441 18905 9574 1 16 . 1 1 31 31 LEU CA C 31 52.148 52.148 55.518 -3.370 18905 9575 1 16 . 1 1 31 31 LEU CB C 31 39.876 39.876 42.943 -3.067 18905 9576 1 16 . 1 1 31 31 LEU H H 31 7.602 7.602 7.751 -0.149 18905 9577 1 16 . 1 1 32 32 ASN N N 32 123.357 123.357 115.946 7.411 18905 9578 1 16 . 1 1 32 32 ASN HA H 32 4.476 4.476 5.130 -0.654 18905 9579 1 16 . 1 1 32 32 ASN CA C 32 48.784 48.784 50.594 -1.810 18905 9580 1 16 . 1 1 32 32 ASN CB C 32 36.284 36.284 40.006 -3.722 18905 9581 1 16 . 1 1 32 32 ASN H H 32 9.816 9.816 7.581 2.235 18905 9582 1 16 . 1 1 33 33 PRO HA H 33 4.339 4.339 4.406 -0.067 18905 9583 1 16 . 1 1 33 33 PRO CA C 33 61.514 61.514 65.146 -3.632 18905 9584 1 16 . 1 1 33 33 PRO CB C 33 30.320 30.320 32.347 -2.027 18905 9585 1 16 . 1 1 34 34 HIS N N 34 111.187 111.187 114.900 -3.713 18905 9586 1 16 . 1 1 34 34 HIS HA H 34 4.402 4.402 4.740 -0.338 18905 9587 1 16 . 1 1 34 34 HIS CA C 34 53.125 53.125 54.916 -1.791 18905 9588 1 16 . 1 1 34 34 HIS CB C 34 25.760 25.760 29.996 -4.236 18905 9589 1 16 . 1 1 34 34 HIS H H 34 8.856 8.856 8.569 0.287 18905 9590 1 16 . 1 1 35 35 SER N N 35 118.219 118.219 117.142 1.077 18905 9591 1 16 . 1 1 35 35 SER HA H 35 4.718 4.718 4.452 0.266 18905 9592 1 16 . 1 1 35 35 SER CB C 35 60.222 60.222 63.955 -3.732 18905 9593 1 16 . 1 1 35 35 SER H H 35 8.262 8.262 7.729 0.533 18905 9594 1 16 . 1 1 36 36 THR N N 36 114.157 114.157 112.184 1.973 18905 9595 1 16 . 1 1 36 36 THR HA H 36 4.545 4.545 4.604 -0.059 18905 9596 1 16 . 1 1 36 36 THR CA C 36 56.508 56.508 60.132 -3.624 18905 9597 1 16 . 1 1 36 36 THR CB C 36 70.051 70.051 71.412 -1.361 18905 9598 1 16 . 1 1 36 36 THR H H 36 8.451 8.451 8.098 0.353 18905 9599 1 16 . 1 1 37 37 MET N N 37 119.815 119.815 119.374 0.441 18905 9600 1 16 . 1 1 37 37 MET HA H 37 3.943 3.943 4.185 -0.242 18905 9601 1 16 . 1 1 37 37 MET CA C 37 56.204 56.204 58.456 -2.252 18905 9602 1 16 . 1 1 37 37 MET CB C 37 28.959 28.959 31.810 -2.851 18905 9603 1 16 . 1 1 37 37 MET H H 37 8.928 8.928 8.853 0.075 18905 9604 1 16 . 1 1 38 38 ASP N N 38 115.357 115.357 120.128 -4.771 18905 9605 1 16 . 1 1 38 38 ASP HA H 38 4.301 4.301 4.418 -0.117 18905 9606 1 16 . 1 1 38 38 ASP CA C 38 54.750 54.750 57.766 -3.016 18905 9607 1 16 . 1 1 38 38 ASP CB C 38 37.934 37.934 39.949 -2.015 18905 9608 1 16 . 1 1 38 38 ASP H H 38 8.096 8.096 8.654 -0.558 18905 9609 1 16 . 1 1 39 39 SER N N 39 118.933 118.933 114.714 4.219 18905 9610 1 16 . 1 1 39 39 SER HA H 39 4.253 4.253 4.216 0.037 18905 9611 1 16 . 1 1 39 39 SER C C 39 174.818 174.818 176.069 -1.251 18905 9612 1 16 . 1 1 39 39 SER CA C 39 58.767 58.767 61.117 -2.350 18905 9613 1 16 . 1 1 39 39 SER CB C 39 61.631 61.631 63.155 -1.524 18905 9614 1 16 . 1 1 39 39 SER H H 39 8.088 8.088 7.749 0.339 18905 9615 1 16 . 1 1 40 40 ILE N N 40 124.376 124.376 119.917 4.459 18905 9616 1 16 . 1 1 40 40 ILE HA H 40 3.538 3.538 3.963 -0.425 18905 9617 1 16 . 1 1 40 40 ILE C C 40 174.358 174.358 176.943 -2.585 18905 9618 1 16 . 1 1 40 40 ILE CA C 40 62.936 62.936 63.907 -0.971 18905 9619 1 16 . 1 1 40 40 ILE CB C 40 35.725 35.725 38.516 -2.791 18905 9620 1 16 . 1 1 40 40 ILE H H 40 8.009 8.009 7.380 0.629 18905 9621 1 16 . 1 1 41 41 LEU N N 41 117.914 117.914 120.740 -2.826 18905 9622 1 16 . 1 1 41 41 LEU HA H 41 3.818 3.818 3.849 -0.031 18905 9623 1 16 . 1 1 41 41 LEU C C 41 178.292 178.292 179.219 -0.927 18905 9624 1 16 . 1 1 41 41 LEU CA C 41 55.496 55.496 58.342 -2.846 18905 9625 1 16 . 1 1 41 41 LEU CB C 41 38.574 38.574 41.514 -2.940 18905 9626 1 16 . 1 1 41 41 LEU H H 41 8.574 8.574 7.690 0.884 18905 9627 1 16 . 1 1 42 42 GLY N N 42 105.053 105.053 104.289 0.764 18905 9628 1 16 . 1 1 42 42 GLY C C 42 173.318 173.318 174.869 -1.551 18905 9629 1 16 . 1 1 42 42 GLY CA C 42 44.283 44.283 46.518 -2.235 18905 9630 1 16 . 1 1 42 42 GLY H H 42 8.207 8.207 8.356 -0.149 18905 9631 1 16 . 1 1 43 43 ALA N N 43 122.411 122.411 123.318 -0.907 18905 9632 1 16 . 1 1 43 43 ALA HA H 43 4.245 4.245 4.153 0.092 18905 9633 1 16 . 1 1 43 43 ALA C C 43 176.200 176.200 178.687 -2.487 18905 9634 1 16 . 1 1 43 43 ALA CA C 43 51.148 51.148 54.219 -3.071 18905 9635 1 16 . 1 1 43 43 ALA CB C 43 17.381 17.381 19.353 -1.972 18905 9636 1 16 . 1 1 43 43 ALA H H 43 7.571 7.571 7.372 0.199 18905 9637 1 16 . 1 1 44 44 LEU N N 44 113.121 113.121 117.801 -4.680 18905 9638 1 16 . 1 1 44 44 LEU HA H 44 4.514 4.514 4.501 0.013 18905 9639 1 16 . 1 1 44 44 LEU C C 44 174.187 174.187 178.839 -4.652 18905 9640 1 16 . 1 1 44 44 LEU CA C 44 52.247 52.247 54.061 -1.814 18905 9641 1 16 . 1 1 44 44 LEU CB C 44 40.210 40.210 40.385 -0.175 18905 9642 1 16 . 1 1 44 44 LEU H H 44 7.533 7.533 7.604 -0.071 18905 9643 1 16 . 1 1 45 45 ALA N N 45 123.574 123.574 124.342 -0.768 18905 9644 1 16 . 1 1 45 45 ALA HA H 45 4.313 4.313 3.982 0.331 18905 9645 1 16 . 1 1 45 45 ALA CA C 45 53.187 53.187 56.450 -3.263 18905 9646 1 16 . 1 1 45 45 ALA CB C 45 14.134 14.134 16.035 -1.901 18905 9647 1 16 . 1 1 45 45 ALA H H 45 7.398 7.398 7.963 -0.565 18905 9648 1 16 . 1 1 46 46 PRO HA H 46 4.043 4.043 4.218 -0.175 18905 9649 1 16 . 1 1 46 46 PRO CA C 46 61.784 61.784 64.625 -2.841 18905 9650 1 16 . 1 1 46 46 PRO CB C 46 27.999 27.999 31.320 -3.321 18905 9651 1 16 . 1 1 47 47 TYR N N 47 114.404 114.404 116.862 -2.458 18905 9652 1 16 . 1 1 47 47 TYR HA H 47 4.527 4.527 4.557 -0.030 18905 9653 1 16 . 1 1 47 47 TYR CA C 47 54.406 54.406 56.692 -2.286 18905 9654 1 16 . 1 1 47 47 TYR CB C 47 37.537 37.537 37.727 -0.190 18905 9655 1 16 . 1 1 47 47 TYR H H 47 7.897 7.897 7.186 0.711 18905 9656 1 16 . 1 1 48 48 ALA N N 48 119.845 119.845 119.545 0.300 18905 9657 1 16 . 1 1 48 48 ALA HA H 48 4.360 4.360 4.634 -0.274 18905 9658 1 16 . 1 1 48 48 ALA C C 48 171.938 171.938 175.565 -3.627 18905 9659 1 16 . 1 1 48 48 ALA CA C 48 49.129 49.129 50.869 -1.740 18905 9660 1 16 . 1 1 48 48 ALA CB C 48 19.614 19.614 21.738 -2.124 18905 9661 1 16 . 1 1 48 48 ALA H H 48 8.083 8.083 7.262 0.821 18905 9662 1 16 . 1 1 49 49 VAL N N 49 122.528 122.528 120.835 1.693 18905 9663 1 16 . 1 1 49 49 VAL HA H 49 3.904 3.904 4.406 -0.502 18905 9664 1 16 . 1 1 49 49 VAL C C 49 172.490 172.490 174.645 -2.155 18905 9665 1 16 . 1 1 49 49 VAL CA C 49 60.373 60.373 62.264 -1.891 18905 9666 1 16 . 1 1 49 49 VAL CB C 49 28.257 28.257 31.435 -3.178 18905 9667 1 16 . 1 1 49 49 VAL H H 49 8.414 8.414 8.528 -0.114 18905 9668 1 16 . 1 1 50 50 LEU N N 50 127.924 127.924 121.957 5.967 18905 9669 1 16 . 1 1 50 50 LEU HA H 50 4.650 4.650 4.963 -0.313 18905 9670 1 16 . 1 1 50 50 LEU C C 50 172.488 172.488 175.026 -2.538 18905 9671 1 16 . 1 1 50 50 LEU CA C 50 50.523 50.523 53.863 -3.340 18905 9672 1 16 . 1 1 50 50 LEU CB C 50 42.647 42.647 43.801 -1.154 18905 9673 1 16 . 1 1 50 50 LEU H H 50 7.904 7.904 7.596 0.308 18905 9674 1 16 . 1 1 51 51 SER N N 51 114.999 114.999 113.320 1.679 18905 9675 1 16 . 1 1 51 51 SER HA H 51 4.783 4.783 4.913 -0.130 18905 9676 1 16 . 1 1 51 51 SER C C 51 172.827 172.827 174.952 -2.125 18905 9677 1 16 . 1 1 51 51 SER CA C 51 53.708 53.708 57.393 -3.685 18905 9678 1 16 . 1 1 51 51 SER CB C 51 63.424 63.424 65.348 -1.924 18905 9679 1 16 . 1 1 51 51 SER H H 51 8.623 8.623 8.288 0.335 18905 9680 1 16 . 1 1 52 52 SER N N 52 118.355 118.355 117.280 1.075 18905 9681 1 16 . 1 1 52 52 SER HA H 52 4.301 4.301 4.230 0.071 18905 9682 1 16 . 1 1 52 52 SER C C 52 173.242 173.242 175.947 -2.705 18905 9683 1 16 . 1 1 52 52 SER CA C 52 58.709 58.709 61.093 -2.384 18905 9684 1 16 . 1 1 52 52 SER CB C 52 59.826 59.826 62.789 -2.963 18905 9685 1 16 . 1 1 52 52 SER H H 52 9.117 9.117 8.620 0.497 18905 9686 1 16 . 1 1 53 53 SER N N 53 114.926 114.926 117.322 -2.396 18905 9687 1 16 . 1 1 53 53 SER HA H 53 4.292 4.292 4.274 0.018 18905 9688 1 16 . 1 1 53 53 SER CA C 53 57.882 57.882 60.398 -2.516 18905 9689 1 16 . 1 1 53 53 SER CB C 53 60.220 60.220 63.122 -2.902 18905 9690 1 16 . 1 1 53 53 SER H H 53 8.014 8.014 8.406 -0.392 18905 9691 1 16 . 1 1 54 54 ASN N N 54 116.432 116.432 118.880 -2.448 18905 9692 1 16 . 1 1 54 54 ASN HA H 54 4.914 4.914 4.659 0.255 18905 9693 1 16 . 1 1 54 54 ASN C C 54 170.744 170.744 175.558 -4.814 18905 9694 1 16 . 1 1 54 54 ASN CA C 54 52.054 52.054 55.292 -3.238 18905 9695 1 16 . 1 1 54 54 ASN CB C 54 38.952 38.952 39.211 -0.259 18905 9696 1 16 . 1 1 54 54 ASN H H 54 7.996 7.996 7.918 0.078 18905 9697 1 16 . 1 1 55 55 VAL N N 55 118.877 118.877 122.658 -3.781 18905 9698 1 16 . 1 1 55 55 VAL HA H 55 4.891 4.891 4.418 0.473 18905 9699 1 16 . 1 1 55 55 VAL C C 55 171.238 171.238 174.727 -3.489 18905 9700 1 16 . 1 1 55 55 VAL CA C 55 58.709 58.709 61.797 -3.087 18905 9701 1 16 . 1 1 55 55 VAL CB C 55 31.652 31.652 30.686 0.966 18905 9702 1 16 . 1 1 55 55 VAL H H 55 7.421 7.421 7.283 0.138 18905 9703 1 16 . 1 1 56 56 ARG N N 56 125.757 125.757 129.829 -4.072 18905 9704 1 16 . 1 1 56 56 ARG HA H 56 4.708 4.708 4.406 0.302 18905 9705 1 16 . 1 1 56 56 ARG C C 56 172.321 172.321 175.416 -3.095 18905 9706 1 16 . 1 1 56 56 ARG CA C 56 51.878 51.878 54.071 -2.193 18905 9707 1 16 . 1 1 56 56 ARG CB C 56 30.211 30.211 29.831 0.380 18905 9708 1 16 . 1 1 56 56 ARG H H 56 9.011 9.011 8.154 0.857 18905 9709 1 16 . 1 1 57 57 VAL N N 57 125.646 125.646 127.276 -1.630 18905 9710 1 16 . 1 1 57 57 VAL HA H 57 3.878 3.878 3.882 -0.004 18905 9711 1 16 . 1 1 57 57 VAL C C 57 172.129 172.129 175.001 -2.872 18905 9712 1 16 . 1 1 57 57 VAL CA C 57 59.043 59.043 62.922 -3.878 18905 9713 1 16 . 1 1 57 57 VAL CB C 57 30.019 30.019 31.926 -1.907 18905 9714 1 16 . 1 1 57 57 VAL H H 57 8.794 8.794 8.175 0.619 18905 9715 1 16 . 1 1 58 58 ILE N N 58 127.547 127.547 129.692 -2.145 18905 9716 1 16 . 1 1 58 58 ILE HA H 58 4.049 4.049 3.976 0.073 18905 9717 1 16 . 1 1 58 58 ILE C C 58 172.672 172.672 175.083 -2.411 18905 9718 1 16 . 1 1 58 58 ILE CA C 58 57.246 57.246 59.882 -2.636 18905 9719 1 16 . 1 1 58 58 ILE CB C 58 32.839 32.839 35.541 -2.702 18905 9720 1 16 . 1 1 58 58 ILE H H 58 7.259 7.259 7.901 -0.642 18905 9721 1 16 . 1 1 59 59 LYS N N 59 127.231 127.231 126.801 0.430 18905 9722 1 16 . 1 1 59 59 LYS HA H 59 4.532 4.532 4.637 -0.105 18905 9723 1 16 . 1 1 59 59 LYS C C 59 173.119 173.119 175.765 -2.646 18905 9724 1 16 . 1 1 59 59 LYS CA C 59 52.444 52.444 54.826 -2.382 18905 9725 1 16 . 1 1 59 59 LYS CB C 59 32.374 32.374 34.025 -1.651 18905 9726 1 16 . 1 1 59 59 LYS H H 59 8.571 8.571 8.078 0.493 18905 9727 1 16 . 1 1 60 60 ASP N N 60 123.232 123.232 122.307 0.925 18905 9728 1 16 . 1 1 60 60 ASP HA H 60 4.496 4.496 4.534 -0.038 18905 9729 1 16 . 1 1 60 60 ASP C C 60 174.118 174.118 176.762 -2.644 18905 9730 1 16 . 1 1 60 60 ASP CA C 60 50.786 50.786 54.794 -4.008 18905 9731 1 16 . 1 1 60 60 ASP CB C 60 40.058 40.058 41.964 -1.906 18905 9732 1 16 . 1 1 60 60 ASP H H 60 8.527 8.527 8.675 -0.148 18905 9733 1 16 . 1 1 61 61 LYS N N 61 125.977 125.977 125.269 0.708 18905 9734 1 16 . 1 1 61 61 LYS HA H 61 3.918 3.918 4.205 -0.286 18905 9735 1 16 . 1 1 61 61 LYS C C 61 174.696 174.696 177.353 -2.657 18905 9736 1 16 . 1 1 61 61 LYS CA C 61 56.017 56.017 58.093 -2.075 18905 9737 1 16 . 1 1 61 61 LYS CB C 61 29.813 29.813 32.590 -2.777 18905 9738 1 16 . 1 1 61 61 LYS H H 61 8.770 8.770 8.653 0.117 18905 9739 1 16 . 1 1 62 62 GLN N N 62 116.732 116.732 118.607 -1.875 18905 9740 1 16 . 1 1 62 62 GLN HA H 62 4.252 4.252 4.143 0.109 18905 9741 1 16 . 1 1 62 62 GLN C C 62 174.793 174.793 177.029 -2.236 18905 9742 1 16 . 1 1 62 62 GLN CA C 62 55.001 55.001 57.641 -2.640 18905 9743 1 16 . 1 1 62 62 GLN CB C 62 26.516 26.516 29.153 -2.637 18905 9744 1 16 . 1 1 62 62 GLN H H 62 8.538 8.538 8.388 0.150 18905 9745 1 16 . 1 1 63 63 THR N N 63 108.519 108.519 111.336 -2.817 18905 9746 1 16 . 1 1 63 63 THR HA H 63 4.265 4.265 4.508 -0.243 18905 9747 1 16 . 1 1 63 63 THR CA C 63 59.302 59.302 60.441 -1.139 18905 9748 1 16 . 1 1 63 63 THR CB C 63 67.891 67.891 70.561 -2.670 18905 9749 1 16 . 1 1 63 63 THR H H 63 7.882 7.882 8.230 -0.348 18905 9750 1 16 . 1 1 64 64 GLN N N 64 113.890 113.890 118.961 -5.071 18905 9751 1 16 . 1 1 64 64 GLN HA H 64 3.829 3.829 4.630 -0.801 18905 9752 1 16 . 1 1 64 64 GLN C C 64 172.129 172.129 174.890 -2.761 18905 9753 1 16 . 1 1 64 64 GLN CA C 64 54.560 54.560 54.696 -0.136 18905 9754 1 16 . 1 1 64 64 GLN CB C 64 23.812 23.812 28.460 -4.648 18905 9755 1 16 . 1 1 64 64 GLN H H 64 8.188 8.188 8.406 -0.218 18905 9756 1 16 . 1 1 65 65 LEU N N 65 119.516 119.516 119.446 0.070 18905 9757 1 16 . 1 1 65 65 LEU HA H 65 4.463 4.463 4.767 -0.304 18905 9758 1 16 . 1 1 65 65 LEU C C 65 174.174 174.174 175.704 -1.530 18905 9759 1 16 . 1 1 65 65 LEU CA C 65 51.024 51.024 52.856 -1.832 18905 9760 1 16 . 1 1 65 65 LEU CB C 65 39.608 39.608 45.189 -5.581 18905 9761 1 16 . 1 1 65 65 LEU H H 65 7.682 7.682 7.538 0.144 18905 9762 1 16 . 1 1 66 66 ASN N N 66 117.776 117.776 118.899 -1.123 18905 9763 1 16 . 1 1 66 66 ASN HA H 66 4.958 4.958 4.579 0.379 18905 9764 1 16 . 1 1 66 66 ASN C C 66 171.913 171.913 176.159 -4.246 18905 9765 1 16 . 1 1 66 66 ASN CA C 66 50.440 50.440 54.519 -4.079 18905 9766 1 16 . 1 1 66 66 ASN CB C 66 36.771 36.771 39.206 -2.435 18905 9767 1 16 . 1 1 66 66 ASN H H 66 8.771 8.771 8.223 0.548 18905 9768 1 16 . 1 1 67 67 ARG N N 67 117.508 117.508 121.459 -3.951 18905 9769 1 16 . 1 1 67 67 ARG HA H 67 4.193 4.193 4.385 -0.192 18905 9770 1 16 . 1 1 67 67 ARG CA C 67 53.615 53.615 56.809 -3.194 18905 9771 1 16 . 1 1 67 67 ARG CB C 67 28.137 28.137 30.575 -2.438 18905 9772 1 16 . 1 1 67 67 ARG H H 67 8.313 8.313 8.326 -0.013 18905 9773 1 16 . 1 1 68 68 GLY N N 68 107.904 107.904 107.562 0.342 18905 9774 1 16 . 1 1 68 68 GLY CA C 68 42.842 42.842 45.416 -2.574 18905 9775 1 16 . 1 1 68 68 GLY H H 68 9.437 9.437 8.626 0.811 18905 9776 1 16 . 1 1 69 69 PHE N N 69 113.804 113.804 114.595 -0.791 18905 9777 1 16 . 1 1 69 69 PHE HA H 69 5.754 5.754 5.642 0.112 18905 9778 1 16 . 1 1 69 69 PHE C C 69 170.151 170.151 172.737 -2.586 18905 9779 1 16 . 1 1 69 69 PHE CA C 69 51.625 51.625 54.647 -3.022 18905 9780 1 16 . 1 1 69 69 PHE CB C 69 39.587 39.587 40.961 -1.374 18905 9781 1 16 . 1 1 69 69 PHE H H 69 6.750 6.750 7.265 -0.515 18905 9782 1 16 . 1 1 70 70 ALA N N 70 118.965 118.965 118.872 0.093 18905 9783 1 16 . 1 1 70 70 ALA HA H 70 4.807 4.807 4.408 0.399 18905 9784 1 16 . 1 1 70 70 ALA C C 70 171.693 171.693 174.714 -3.021 18905 9785 1 16 . 1 1 70 70 ALA CA C 70 47.155 47.155 50.716 -3.561 18905 9786 1 16 . 1 1 70 70 ALA CB C 70 21.153 21.153 22.247 -1.094 18905 9787 1 16 . 1 1 70 70 ALA H H 70 8.526 8.526 7.856 0.670 18905 9788 1 16 . 1 1 71 71 PHE N N 71 117.469 117.469 117.486 -0.017 18905 9789 1 16 . 1 1 71 71 PHE HA H 71 5.537 5.537 5.580 -0.043 18905 9790 1 16 . 1 1 71 71 PHE C C 71 172.630 172.630 174.748 -2.118 18905 9791 1 16 . 1 1 71 71 PHE CA C 71 52.609 52.609 55.977 -3.369 18905 9792 1 16 . 1 1 71 71 PHE CB C 71 39.675 39.675 43.995 -4.321 18905 9793 1 16 . 1 1 71 71 PHE H H 71 8.824 8.824 7.861 0.963 18905 9794 1 16 . 1 1 72 72 ILE N N 72 122.867 122.867 119.654 3.213 18905 9795 1 16 . 1 1 72 72 ILE HA H 72 5.022 5.022 4.785 0.237 18905 9796 1 16 . 1 1 72 72 ILE CA C 72 56.881 56.881 60.346 -3.465 18905 9797 1 16 . 1 1 72 72 ILE CB C 72 37.031 37.031 42.525 -5.494 18905 9798 1 16 . 1 1 72 72 ILE H H 72 9.555 9.555 9.075 0.480 18905 9799 1 16 . 1 1 73 73 GLN N N 73 128.422 128.422 127.924 0.498 18905 9800 1 16 . 1 1 73 73 GLN HA H 73 5.170 5.170 4.443 0.727 18905 9801 1 16 . 1 1 73 73 GLN CA C 73 52.252 52.252 55.271 -3.019 18905 9802 1 16 . 1 1 73 73 GLN CB C 73 28.291 28.291 30.113 -1.822 18905 9803 1 16 . 1 1 73 73 GLN H H 73 8.964 8.964 8.216 0.748 18905 9804 1 16 . 1 1 74 74 LEU N N 74 126.707 126.707 120.464 6.243 18905 9805 1 16 . 1 1 74 74 LEU HA H 74 4.789 4.789 4.786 0.003 18905 9806 1 16 . 1 1 74 74 LEU CA C 74 50.617 50.617 53.474 -2.857 18905 9807 1 16 . 1 1 74 74 LEU CB C 74 44.885 44.885 44.333 0.552 18905 9808 1 16 . 1 1 74 74 LEU H H 74 8.420 8.420 8.120 0.300 18905 9809 1 16 . 1 1 75 75 SER HA H 75 4.284 4.284 4.448 -0.164 18905 9810 1 16 . 1 1 75 75 SER CA C 75 55.390 55.390 59.348 -3.958 18905 9811 1 16 . 1 1 75 75 SER CB C 75 61.275 61.275 64.337 -3.062 18905 9812 1 16 . 1 1 76 76 THR N N 76 116.193 116.193 119.042 -2.849 18905 9813 1 16 . 1 1 76 76 THR HA H 76 3.994 3.994 4.013 -0.019 18905 9814 1 16 . 1 1 76 76 THR C C 76 174.630 174.630 176.280 -1.650 18905 9815 1 16 . 1 1 76 76 THR CA C 76 64.225 64.225 66.275 -2.050 18905 9816 1 16 . 1 1 76 76 THR CB C 76 66.003 66.003 68.776 -2.773 18905 9817 1 16 . 1 1 76 76 THR H H 76 8.614 8.614 8.781 -0.167 18905 9818 1 16 . 1 1 77 77 ILE N N 77 120.400 120.400 121.648 -1.248 18905 9819 1 16 . 1 1 77 77 ILE HA H 77 3.911 3.911 3.718 0.193 18905 9820 1 16 . 1 1 77 77 ILE C C 77 175.577 175.577 177.564 -1.987 18905 9821 1 16 . 1 1 77 77 ILE CA C 77 61.264 61.264 65.319 -4.055 18905 9822 1 16 . 1 1 77 77 ILE CB C 77 35.379 35.379 37.616 -2.237 18905 9823 1 16 . 1 1 77 77 ILE H H 77 8.044 8.044 7.885 0.159 18905 9824 1 16 . 1 1 78 78 GLU N N 78 120.562 120.562 118.816 1.746 18905 9825 1 16 . 1 1 78 78 GLU HA H 78 4.062 4.062 4.123 -0.061 18905 9826 1 16 . 1 1 78 78 GLU C C 78 176.596 176.596 179.066 -2.470 18905 9827 1 16 . 1 1 78 78 GLU CA C 78 56.355 56.355 59.124 -2.769 18905 9828 1 16 . 1 1 78 78 GLU CB C 78 27.668 27.668 29.513 -1.845 18905 9829 1 16 . 1 1 78 78 GLU H H 78 7.548 7.548 7.908 -0.360 18905 9830 1 16 . 1 1 79 79 ALA N N 79 122.789 122.789 121.574 1.215 18905 9831 1 16 . 1 1 79 79 ALA HA H 79 3.923 3.923 4.204 -0.281 18905 9832 1 16 . 1 1 79 79 ALA C C 79 175.736 175.736 178.943 -3.207 18905 9833 1 16 . 1 1 79 79 ALA CA C 79 52.649 52.649 54.753 -2.104 18905 9834 1 16 . 1 1 79 79 ALA CB C 79 15.305 15.305 18.299 -2.994 18905 9835 1 16 . 1 1 79 79 ALA H H 79 9.279 9.279 8.494 0.785 18905 9836 1 16 . 1 1 80 80 ALA N N 80 118.643 118.643 121.804 -3.161 18905 9837 1 16 . 1 1 80 80 ALA HA H 80 4.001 4.001 4.014 -0.013 18905 9838 1 16 . 1 1 80 80 ALA C C 80 177.943 177.943 179.529 -1.586 18905 9839 1 16 . 1 1 80 80 ALA CA C 80 52.521 52.521 54.556 -2.035 18905 9840 1 16 . 1 1 80 80 ALA CB C 80 15.281 15.281 19.048 -3.767 18905 9841 1 16 . 1 1 80 80 ALA H H 80 7.688 7.688 7.548 0.140 18905 9842 1 16 . 1 1 81 81 GLN N N 81 116.877 116.877 118.745 -1.868 18905 9843 1 16 . 1 1 81 81 GLN HA H 81 4.015 4.015 4.027 -0.012 18905 9844 1 16 . 1 1 81 81 GLN CA C 81 55.760 55.760 58.401 -2.641 18905 9845 1 16 . 1 1 81 81 GLN CB C 81 25.786 25.786 28.474 -2.688 18905 9846 1 16 . 1 1 81 81 GLN H H 81 7.593 7.593 8.050 -0.457 18905 9847 1 16 . 1 1 82 82 LEU N N 82 119.946 119.946 120.574 -0.628 18905 9848 1 16 . 1 1 82 82 LEU HA H 82 4.121 4.121 4.061 0.060 18905 9849 1 16 . 1 1 82 82 LEU C C 82 175.358 175.358 179.011 -3.653 18905 9850 1 16 . 1 1 82 82 LEU CA C 82 54.781 54.781 57.673 -2.892 18905 9851 1 16 . 1 1 82 82 LEU CB C 82 38.240 38.240 41.042 -2.802 18905 9852 1 16 . 1 1 82 82 LEU H H 82 8.258 8.258 8.069 0.189 18905 9853 1 16 . 1 1 83 83 LEU N N 83 119.288 119.288 119.341 -0.053 18905 9854 1 16 . 1 1 83 83 LEU HA H 83 3.585 3.585 3.871 -0.286 18905 9855 1 16 . 1 1 83 83 LEU C C 83 175.365 175.365 178.354 -2.989 18905 9856 1 16 . 1 1 83 83 LEU CA C 83 56.142 56.142 58.221 -2.079 18905 9857 1 16 . 1 1 83 83 LEU CB C 83 38.875 38.875 41.501 -2.626 18905 9858 1 16 . 1 1 83 83 LEU H H 83 8.407 8.407 7.724 0.683 18905 9859 1 16 . 1 1 84 84 GLN N N 84 115.391 115.391 117.793 -2.402 18905 9860 1 16 . 1 1 84 84 GLN HA H 84 3.878 3.878 4.036 -0.158 18905 9861 1 16 . 1 1 84 84 GLN C C 84 176.472 176.472 177.638 -1.166 18905 9862 1 16 . 1 1 84 84 GLN CA C 84 56.142 56.142 58.093 -1.951 18905 9863 1 16 . 1 1 84 84 GLN CB C 84 25.733 25.733 28.722 -2.989 18905 9864 1 16 . 1 1 84 84 GLN H H 84 7.347 7.347 7.577 -0.230 18905 9865 1 16 . 1 1 85 85 ILE N N 85 119.593 119.593 119.485 0.108 18905 9866 1 16 . 1 1 85 85 ILE HA H 85 3.607 3.607 3.788 -0.181 18905 9867 1 16 . 1 1 85 85 ILE CA C 85 61.779 61.779 63.819 -2.040 18905 9868 1 16 . 1 1 85 85 ILE CB C 85 35.948 35.948 38.520 -2.572 18905 9869 1 16 . 1 1 85 85 ILE H H 85 7.650 7.650 7.614 0.036 18905 9870 1 16 . 1 1 86 86 LEU N N 86 116.537 116.537 120.671 -4.134 18905 9871 1 16 . 1 1 86 86 LEU HA H 86 3.757 3.757 3.994 -0.237 18905 9872 1 16 . 1 1 86 86 LEU C C 86 177.610 177.610 178.979 -1.369 18905 9873 1 16 . 1 1 86 86 LEU CA C 86 54.521 54.521 57.845 -3.324 18905 9874 1 16 . 1 1 86 86 LEU CB C 86 39.226 39.226 41.406 -2.180 18905 9875 1 16 . 1 1 86 86 LEU H H 86 8.410 8.410 8.282 0.128 18905 9876 1 16 . 1 1 87 87 GLN N N 87 115.959 115.959 117.475 -1.516 18905 9877 1 16 . 1 1 87 87 GLN HA H 87 4.009 4.009 4.025 -0.016 18905 9878 1 16 . 1 1 87 87 GLN C C 87 174.156 174.156 176.706 -2.550 18905 9879 1 16 . 1 1 87 87 GLN CA C 87 55.735 55.735 57.827 -2.092 18905 9880 1 16 . 1 1 87 87 GLN CB C 87 25.516 25.516 28.036 -2.520 18905 9881 1 16 . 1 1 87 87 GLN H H 87 8.406 8.406 7.729 0.677 18905 9882 1 16 . 1 1 88 88 ALA N N 88 120.044 120.044 119.539 0.505 18905 9883 1 16 . 1 1 88 88 ALA HA H 88 4.338 4.338 4.451 -0.113 18905 9884 1 16 . 1 1 88 88 ALA C C 88 174.373 174.373 176.663 -2.290 18905 9885 1 16 . 1 1 88 88 ALA CA C 88 48.933 48.933 52.196 -3.263 18905 9886 1 16 . 1 1 88 88 ALA CB C 88 16.681 16.681 20.365 -3.684 18905 9887 1 16 . 1 1 88 88 ALA H H 88 7.110 7.110 7.456 -0.346 18905 9888 1 16 . 1 1 89 89 LEU N N 89 119.696 119.696 117.367 2.329 18905 9889 1 16 . 1 1 89 89 LEU HA H 89 3.929 3.929 4.734 -0.805 18905 9890 1 16 . 1 1 89 89 LEU C C 89 175.387 175.387 174.188 1.199 18905 9891 1 16 . 1 1 89 89 LEU CA C 89 53.364 53.364 54.911 -1.547 18905 9892 1 16 . 1 1 89 89 LEU CB C 89 39.775 39.775 43.532 -3.756 18905 9893 1 16 . 1 1 89 89 LEU H H 89 6.693 6.693 7.347 -0.654 18905 9894 1 16 . 1 1 90 90 HIS N N 90 120.136 120.136 117.566 2.570 18905 9895 1 16 . 1 1 90 90 HIS HA H 90 4.419 4.419 4.941 -0.522 18905 9896 1 16 . 1 1 90 90 HIS CA C 90 50.226 50.226 53.161 -2.935 18905 9897 1 16 . 1 1 90 90 HIS CB C 90 27.853 27.853 31.396 -3.543 18905 9898 1 16 . 1 1 90 90 HIS H H 90 8.299 8.299 8.366 -0.067 18905 9899 1 16 . 1 1 91 91 PRO HA H 91 4.367 4.367 4.797 -0.430 18905 9900 1 16 . 1 1 91 91 PRO CA C 91 60.550 60.550 61.513 -0.963 18905 9901 1 16 . 1 1 91 91 PRO CB C 91 29.416 29.416 32.200 -2.784 18905 9902 1 16 . 1 1 92 92 PRO HA H 92 4.815 4.815 4.541 0.274 18905 9903 1 16 . 1 1 92 92 PRO CA C 92 59.812 59.812 63.569 -3.757 18905 9904 1 16 . 1 1 92 92 PRO CB C 92 30.119 30.119 31.974 -1.855 18905 9905 1 16 . 1 1 93 93 LEU N N 93 121.469 121.469 120.404 1.065 18905 9906 1 16 . 1 1 93 93 LEU HA H 93 3.954 3.954 4.601 -0.647 18905 9907 1 16 . 1 1 93 93 LEU CA C 93 53.500 53.500 54.403 -0.903 18905 9908 1 16 . 1 1 93 93 LEU CB C 93 39.889 39.889 45.220 -5.331 18905 9909 1 16 . 1 1 93 93 LEU H H 93 8.404 8.404 7.450 0.954 18905 9910 1 16 . 1 1 94 94 THR HA H 94 5.276 5.276 4.761 0.515 18905 9911 1 16 . 1 1 94 94 THR CA C 94 57.077 57.077 61.693 -4.616 18905 9912 1 16 . 1 1 94 94 THR CB C 94 69.076 69.076 68.963 0.113 18905 9913 1 16 . 1 1 95 95 ILE N N 95 121.239 121.239 125.725 -4.486 18905 9914 1 16 . 1 1 95 95 ILE HA H 95 4.184 4.184 3.953 0.231 18905 9915 1 16 . 1 1 95 95 ILE CA C 95 58.054 58.054 61.927 -3.873 18905 9916 1 16 . 1 1 95 95 ILE CB C 95 37.534 37.534 38.804 -1.270 18905 9917 1 16 . 1 1 95 95 ILE H H 95 8.317 8.317 8.494 -0.177 18905 9918 1 16 . 1 1 96 96 ASP N N 96 130.909 130.909 128.521 2.388 18905 9919 1 16 . 1 1 96 96 ASP HA H 96 4.292 4.292 4.284 0.008 18905 9920 1 16 . 1 1 96 96 ASP CA C 96 53.001 53.001 55.110 -2.109 18905 9921 1 16 . 1 1 96 96 ASP CB C 96 37.114 37.114 40.364 -3.250 18905 9922 1 16 . 1 1 96 96 ASP H H 96 9.837 9.837 8.870 0.967 18905 9923 1 16 . 1 1 97 97 GLY N N 97 102.578 102.578 103.436 -0.858 18905 9924 1 16 . 1 1 97 97 GLY C C 97 170.992 170.992 174.295 -3.303 18905 9925 1 16 . 1 1 97 97 GLY CA C 97 42.754 42.754 44.965 -2.211 18905 9926 1 16 . 1 1 97 97 GLY H H 97 8.638 8.638 7.771 0.867 18905 9927 1 16 . 1 1 98 98 LYS N N 98 120.330 120.330 121.251 -0.921 18905 9928 1 16 . 1 1 98 98 LYS HA H 98 4.629 4.629 4.670 -0.041 18905 9929 1 16 . 1 1 98 98 LYS C C 98 172.675 172.675 175.182 -2.507 18905 9930 1 16 . 1 1 98 98 LYS CA C 98 50.304 50.304 55.077 -4.773 18905 9931 1 16 . 1 1 98 98 LYS CB C 98 31.136 31.136 34.035 -2.899 18905 9932 1 16 . 1 1 98 98 LYS H H 98 7.440 7.440 8.074 -0.634 18905 9933 1 16 . 1 1 99 99 THR N N 99 119.612 119.612 115.130 4.482 18905 9934 1 16 . 1 1 99 99 THR HA H 99 4.356 4.356 4.623 -0.267 18905 9935 1 16 . 1 1 99 99 THR C C 99 171.511 171.511 173.236 -1.725 18905 9936 1 16 . 1 1 99 99 THR CA C 99 60.382 60.382 61.014 -0.632 18905 9937 1 16 . 1 1 99 99 THR CB C 99 65.967 65.967 70.849 -4.882 18905 9938 1 16 . 1 1 99 99 THR H H 99 8.626 8.626 8.386 0.240 18905 9939 1 16 . 1 1 100 100 ILE N N 100 129.389 129.389 124.017 5.372 18905 9940 1 16 . 1 1 100 100 ILE HA H 100 4.358 4.358 4.152 0.206 18905 9941 1 16 . 1 1 100 100 ILE C C 100 172.710 172.710 176.074 -3.364 18905 9942 1 16 . 1 1 100 100 ILE CA C 100 55.202 55.202 59.977 -4.775 18905 9943 1 16 . 1 1 100 100 ILE CB C 100 34.925 34.925 37.375 -2.450 18905 9944 1 16 . 1 1 100 100 ILE H H 100 8.463 8.463 8.369 0.094 18905 9945 1 16 . 1 1 101 101 ASN N N 101 123.767 123.767 126.039 -2.272 18905 9946 1 16 . 1 1 101 101 ASN HA H 101 4.904 4.904 4.739 0.165 18905 9947 1 16 . 1 1 101 101 ASN C C 101 170.860 170.860 175.344 -4.484 18905 9948 1 16 . 1 1 101 101 ASN CA C 101 49.884 49.884 53.052 -3.168 18905 9949 1 16 . 1 1 101 101 ASN CB C 101 38.364 38.364 39.410 -1.046 18905 9950 1 16 . 1 1 101 101 ASN H H 101 7.878 7.878 8.504 -0.626 18905 9951 1 16 . 1 1 102 102 VAL N N 102 122.207 122.207 118.205 4.002 18905 9952 1 16 . 1 1 102 102 VAL HA H 102 4.933 4.933 4.388 0.545 18905 9953 1 16 . 1 1 102 102 VAL C C 102 175.222 175.222 175.327 -0.105 18905 9954 1 16 . 1 1 102 102 VAL CA C 102 57.981 57.981 61.054 -3.073 18905 9955 1 16 . 1 1 102 102 VAL CB C 102 31.183 31.183 33.282 -2.099 18905 9956 1 16 . 1 1 102 102 VAL H H 102 8.503 8.503 8.289 0.214 18905 9957 1 16 . 1 1 103 103 GLU N N 103 124.079 124.079 123.839 0.240 18905 9958 1 16 . 1 1 103 103 GLU HA H 103 4.557 4.557 4.595 -0.038 18905 9959 1 16 . 1 1 103 103 GLU CA C 103 51.772 51.772 55.855 -4.083 18905 9960 1 16 . 1 1 103 103 GLU CB C 103 31.226 31.226 32.126 -0.899 18905 9961 1 16 . 1 1 103 103 GLU H H 103 8.627 8.627 8.407 0.220 18905 9962 1 16 . 1 1 104 104 PHE N N 104 121.287 121.287 116.066 5.221 18905 9963 1 16 . 1 1 104 104 PHE HA H 104 5.047 5.047 4.900 0.147 18905 9964 1 16 . 1 1 104 104 PHE C C 104 173.023 173.023 173.796 -0.773 18905 9965 1 16 . 1 1 104 104 PHE CA C 104 55.305 55.305 55.459 -0.154 18905 9966 1 16 . 1 1 104 104 PHE CB C 104 38.342 38.342 41.848 -3.506 18905 9967 1 16 . 1 1 104 104 PHE H H 104 8.778 8.778 8.579 0.199 18905 9968 1 16 . 1 1 105 105 ALA N N 105 127.703 127.703 123.403 4.300 18905 9969 1 16 . 1 1 105 105 ALA HA H 105 4.278 4.278 4.483 -0.205 18905 9970 1 16 . 1 1 105 105 ALA C C 105 172.939 172.939 175.551 -2.612 18905 9971 1 16 . 1 1 105 105 ALA CA C 105 48.936 48.936 52.055 -3.119 18905 9972 1 16 . 1 1 105 105 ALA CB C 105 17.822 17.822 19.812 -1.990 18905 9973 1 16 . 1 1 105 105 ALA H H 105 8.630 8.630 8.707 -0.077 18905 9974 1 16 . 1 1 106 106 LYS N N 106 121.259 121.259 122.138 -0.879 18905 9975 1 16 . 1 1 106 106 LYS HA H 106 4.211 4.211 4.743 -0.532 18905 9976 1 16 . 1 1 106 106 LYS C C 106 174.939 174.939 176.229 -1.290 18905 9977 1 16 . 1 1 106 106 LYS CA C 106 52.995 52.995 54.881 -1.886 18905 9978 1 16 . 1 1 106 106 LYS CB C 106 30.290 30.290 34.370 -4.080 18905 9979 1 16 . 1 1 106 106 LYS H H 106 8.289 8.289 7.511 0.778 18905 9980 1 16 . 1 1 107 107 GLY N N 107 111.965 111.965 107.384 4.581 18905 9981 1 16 . 1 1 107 107 GLY C C 107 171.215 171.215 173.161 -1.946 18905 9982 1 16 . 1 1 107 107 GLY CA C 107 42.651 42.651 44.684 -2.033 18905 9983 1 16 . 1 1 107 107 GLY H H 107 8.921 8.921 8.183 0.738 18905 9984 1 16 . 1 1 108 108 SER N N 108 114.479 114.479 114.710 -0.231 18905 9985 1 16 . 1 1 108 108 SER HA H 108 4.294 4.294 4.798 -0.504 18905 9986 1 16 . 1 1 108 108 SER C C 108 172.040 172.040 173.664 -1.624 18905 9987 1 16 . 1 1 108 108 SER CA C 108 55.336 55.336 57.830 -2.494 18905 9988 1 16 . 1 1 108 108 SER H H 108 8.197 8.197 8.150 0.047 18905 9989 1 16 . 1 1 109 109 LYS N N 109 123.374 123.374 123.108 0.266 18905 9990 1 16 . 1 1 109 109 LYS HA H 109 4.198 4.198 4.632 -0.434 18905 9991 1 16 . 1 1 109 109 LYS C C 109 173.967 173.967 175.531 -1.564 18905 9992 1 16 . 1 1 109 109 LYS CA C 109 53.730 53.730 55.983 -2.253 18905 9993 1 16 . 1 1 109 109 LYS CB C 109 30.137 30.137 32.860 -2.723 18905 9994 1 16 . 1 1 109 109 LYS H H 109 8.306 8.306 8.529 -0.223 18905 9995 1 16 . 1 1 110 110 ARG N N 110 134.189 134.189 122.180 12.009 18905 9996 1 16 . 1 1 110 110 ARG HA H 110 4.542 4.542 4.757 -0.215 18905 9997 1 16 . 1 1 110 110 ARG C C 110 173.119 173.119 174.204 -1.085 18905 9998 1 16 . 1 1 110 110 ARG CA C 110 52.474 52.474 55.524 -3.050 18905 9999 1 16 . 1 1 110 110 ARG CB C 110 32.296 32.296 32.289 0.007 18905 10000 1 16 . 1 1 111 111 ASP N N 111 123.210 123.210 120.480 2.730 18905 10001 1 16 . 1 1 111 111 ASP HA H 111 4.519 4.519 4.637 -0.118 18905 10002 1 16 . 1 1 111 111 ASP C C 111 174.187 174.187 174.585 -0.398 18905 10003 1 16 . 1 1 111 111 ASP CA C 111 52.307 52.307 54.035 -1.728 18905 10004 1 16 . 1 1 111 111 ASP CB C 111 40.206 40.206 42.088 -1.882 18905 10005 1 16 . 1 1 111 111 ASP H H 111 8.523 8.523 8.447 0.076 18905 10006 1 16 . 1 1 112 112 MET HA H 112 4.330 4.330 4.990 -0.660 18905 10007 1 16 . 1 1 112 112 MET CA C 112 53.074 53.074 54.951 -1.877 18905 10008 1 16 . 1 1 112 112 MET CB C 112 30.057 30.057 35.442 -5.385 18905 10009 1 16 . 1 1 113 113 ALA N N 113 124.061 124.061 125.973 -1.912 18905 10010 1 16 . 1 1 113 113 ALA HA H 113 4.229 4.229 5.154 -0.925 18905 10011 1 16 . 1 1 113 113 ALA C C 113 175.243 175.243 175.647 -0.404 18905 10012 1 16 . 1 1 113 113 ALA CA C 113 49.967 49.967 51.776 -1.809 18905 10013 1 16 . 1 1 113 113 ALA CB C 113 16.436 16.436 19.872 -3.436 18905 10014 1 16 . 1 1 113 113 ALA H H 113 8.214 8.214 8.609 -0.395 18905 10015 1 16 . 1 1 114 114 SER N N 114 114.286 114.286 115.941 -1.655 18905 10016 1 16 . 1 1 114 114 SER HA H 114 4.376 4.376 4.618 -0.242 18905 10017 1 16 . 1 1 114 114 SER CA C 114 55.596 55.596 58.296 -2.700 18905 10018 1 16 . 1 1 114 114 SER CB C 114 61.009 61.009 64.938 -3.929 18905 10019 1 16 . 1 1 114 114 SER H H 114 8.124 8.124 8.388 -0.264 18905 10020 1 16 . 1 1 119 119 ARG N N 119 122.813 122.813 123.026 -0.213 18905 10021 1 16 . 1 1 119 119 ARG HA H 119 4.294 4.294 4.554 -0.260 18905 10022 1 16 . 1 1 119 119 ARG C C 119 173.654 173.654 174.377 -0.723 18905 10023 1 16 . 1 1 119 119 ARG CA C 119 53.701 53.701 56.145 -2.444 18905 10024 1 16 . 1 1 119 119 ARG CB C 119 28.140 28.140 29.954 -1.815 18905 10025 1 16 . 1 1 119 119 ARG H H 119 8.246 8.246 7.630 0.616 18905 10026 1 16 . 1 1 120 120 ILE N N 120 121.624 121.624 121.717 -0.093 18905 10027 1 16 . 1 1 120 120 ILE HA H 120 4.099 4.099 4.556 -0.457 18905 10028 1 16 . 1 1 120 120 ILE C C 120 173.651 173.651 175.799 -2.148 18905 10029 1 16 . 1 1 120 120 ILE CA C 120 58.593 58.593 61.181 -2.587 18905 10030 1 16 . 1 1 120 120 ILE CB C 120 36.091 36.091 40.218 -4.127 18905 10031 1 16 . 1 1 120 120 ILE H H 120 8.084 8.084 8.151 -0.067 18905 10032 1 16 . 1 1 121 121 SER N N 121 119.953 119.953 118.002 1.951 18905 10033 1 16 . 1 1 121 121 SER HA H 121 4.378 4.378 5.099 -0.721 18905 10034 1 16 . 1 1 121 121 SER C C 121 170.780 170.780 173.024 -2.244 18905 10035 1 16 . 1 1 121 121 SER CA C 121 55.506 55.506 57.852 -2.345 18905 10036 1 16 . 1 1 121 121 SER CB C 121 61.571 61.571 64.647 -3.076 18905 10037 1 16 . 1 1 121 121 SER H H 121 8.300 8.300 8.718 -0.418 18905 10038 1 16 . 1 1 123 123 ALA N N 123 119.892 119.892 121.881 -1.989 18905 10039 1 16 . 1 1 123 123 ALA HA H 123 4.102 4.102 4.511 -0.409 18905 10040 1 16 . 1 1 123 123 ALA CA C 123 58.473 58.473 52.616 5.857 18905 10041 1 16 . 1 1 123 123 ALA H H 123 8.305 8.305 8.505 -0.200 18905 10042 1 16 . 1 1 124 124 SER N N 124 122.264 122.264 113.191 9.073 18905 10043 1 16 . 1 1 124 124 SER HA H 124 4.384 4.384 4.711 -0.327 18905 10044 1 16 . 1 1 124 124 SER CA C 124 55.632 55.632 57.839 -2.207 18905 10045 1 16 . 1 1 124 124 SER CB C 124 60.925 60.925 65.337 -4.412 18905 10046 1 16 . 1 1 124 124 SER H H 124 8.353 8.353 7.901 0.452 18905 10047 1 16 . 1 1 125 125 VAL N N 125 121.433 121.433 122.312 -0.879 18905 10048 1 16 . 1 1 125 125 VAL HA H 125 4.073 4.073 4.282 -0.209 18905 10049 1 16 . 1 1 125 125 VAL C C 125 173.240 173.240 174.604 -1.364 18905 10050 1 16 . 1 1 125 125 VAL CA C 125 59.588 59.588 63.248 -3.660 18905 10051 1 16 . 1 1 125 125 VAL CB C 125 30.198 30.198 32.299 -2.101 18905 10052 1 16 . 1 1 125 125 VAL H H 125 8.014 8.014 8.454 -0.440 18905 10053 1 16 . 1 1 126 126 ALA N N 126 127.185 127.185 129.656 -2.471 18905 10054 1 16 . 1 1 126 126 ALA HA H 126 4.278 4.278 4.729 -0.451 18905 10055 1 16 . 1 1 126 126 ALA C C 126 175.118 175.118 177.004 -1.886 18905 10056 1 16 . 1 1 126 126 ALA CA C 126 49.919 49.919 52.244 -2.325 18905 10057 1 16 . 1 1 126 126 ALA CB C 126 16.532 16.532 19.629 -3.097 18905 10058 1 16 . 1 1 126 126 ALA H H 126 8.277 8.277 8.165 0.112 18905 10059 1 16 . 1 1 127 127 SER N N 127 115.148 115.148 117.170 -2.022 18905 10060 1 16 . 1 1 127 127 SER HA H 127 4.420 4.420 4.499 -0.079 18905 10061 1 16 . 1 1 127 127 SER C C 127 172.168 172.168 174.558 -2.390 18905 10062 1 16 . 1 1 127 127 SER CA C 127 55.770 55.770 58.239 -2.470 18905 10063 1 16 . 1 1 127 127 SER CB C 127 58.992 58.992 63.629 -4.637 18905 10064 1 16 . 1 1 127 127 SER H H 127 8.249 8.249 8.656 -0.407 18905 10065 1 16 . 1 1 128 128 THR N N 128 115.498 115.498 116.559 -1.061 18905 10066 1 16 . 1 1 128 128 THR C C 128 171.392 171.392 174.441 -3.049 18905 10067 1 16 . 1 1 128 128 THR CA C 128 59.083 59.083 61.261 -2.178 18905 10068 1 16 . 1 1 128 128 THR H H 128 8.050 8.050 7.979 0.071 18905 10069 1 16 . 1 1 129 129 ALA N N 129 126.543 126.543 129.319 -2.776 18905 10070 1 16 . 1 1 129 129 ALA HA H 129 4.236 4.236 4.492 -0.256 18905 10071 1 16 . 1 1 129 129 ALA C C 129 174.650 174.650 177.197 -2.547 18905 10072 1 16 . 1 1 129 129 ALA CA C 129 49.794 49.794 51.937 -2.143 18905 10073 1 16 . 1 1 129 129 ALA CB C 129 16.538 16.538 19.643 -3.105 18905 10074 1 16 . 1 1 129 129 ALA H H 129 8.160 8.160 8.465 -0.305 18905 10075 1 16 . 1 1 130 130 ILE N N 130 120.371 120.371 116.285 4.086 18905 10076 1 16 . 1 1 130 130 ILE HA H 130 4.099 4.099 5.114 -1.015 18905 10077 1 16 . 1 1 130 130 ILE C C 130 173.651 173.651 175.626 -1.975 18905 10078 1 16 . 1 1 130 130 ILE CA C 130 58.513 58.513 60.065 -1.552 18905 10079 1 16 . 1 1 130 130 ILE CB C 130 36.091 36.091 40.620 -4.529 18905 10080 1 16 . 1 1 130 130 ILE H H 130 8.043 8.043 8.774 -0.731 18905 10081 1 17 . 1 1 4 4 GLY N N 4 110.117 110.117 108.958 1.159 18905 10082 1 17 . 1 1 4 4 GLY C C 4 171.413 171.413 173.011 -1.598 18905 10083 1 17 . 1 1 4 4 GLY CA C 4 42.667 42.667 45.239 -2.572 18905 10084 1 17 . 1 1 4 4 GLY H H 4 8.391 8.391 8.632 -0.241 18905 10085 1 17 . 1 1 5 5 VAL N N 5 119.501 119.501 121.888 -2.387 18905 10086 1 17 . 1 1 5 5 VAL HA H 5 4.018 4.018 4.498 -0.480 18905 10087 1 17 . 1 1 5 5 VAL C C 5 173.738 173.738 174.479 -0.741 18905 10088 1 17 . 1 1 5 5 VAL CA C 5 59.923 59.923 61.293 -1.370 18905 10089 1 17 . 1 1 5 5 VAL CB C 5 30.111 30.111 33.043 -2.932 18905 10090 1 17 . 1 1 5 5 VAL H H 5 7.951 7.951 8.032 -0.081 18905 10091 1 17 . 1 1 6 6 LEU N N 6 125.484 125.484 129.978 -4.494 18905 10092 1 17 . 1 1 6 6 LEU HA H 6 4.280 4.280 4.815 -0.535 18905 10093 1 17 . 1 1 6 6 LEU C C 6 174.708 174.708 175.579 -0.871 18905 10094 1 17 . 1 1 6 6 LEU CA C 6 52.535 52.535 55.296 -2.761 18905 10095 1 17 . 1 1 6 6 LEU CB C 6 39.586 39.586 41.534 -1.948 18905 10096 1 17 . 1 1 6 6 LEU H H 6 8.248 8.248 8.550 -0.302 18905 10097 1 17 . 1 1 7 7 ALA N N 7 124.939 124.939 126.365 -1.426 18905 10098 1 17 . 1 1 7 7 ALA HA H 7 4.234 4.234 4.704 -0.470 18905 10099 1 17 . 1 1 7 7 ALA C C 7 174.865 174.865 175.779 -0.914 18905 10100 1 17 . 1 1 7 7 ALA CA C 7 50.136 50.136 51.972 -1.836 18905 10101 1 17 . 1 1 7 7 ALA CB C 7 16.500 16.500 20.803 -4.303 18905 10102 1 17 . 1 1 7 7 ALA H H 7 8.241 8.241 8.230 0.011 18905 10103 1 17 . 1 1 8 8 SER N N 8 117.901 117.901 115.151 2.750 18905 10104 1 17 . 1 1 8 8 SER HA H 8 4.377 4.377 4.999 -0.622 18905 10105 1 17 . 1 1 8 8 SER C C 8 172.221 172.221 172.658 -0.437 18905 10106 1 17 . 1 1 8 8 SER CA C 8 56.008 56.008 58.082 -2.074 18905 10107 1 17 . 1 1 8 8 SER CB C 8 61.008 61.008 64.137 -3.129 18905 10108 1 17 . 1 1 8 8 SER H H 8 8.347 8.347 8.735 -0.388 18905 10109 1 17 . 1 1 9 9 GLN N N 9 122.019 122.019 120.978 1.041 18905 10110 1 17 . 1 1 9 9 GLN HA H 9 4.302 4.302 5.034 -0.732 18905 10111 1 17 . 1 1 9 9 GLN C C 9 173.160 173.160 173.585 -0.425 18905 10112 1 17 . 1 1 9 9 GLN CA C 9 53.470 53.470 54.968 -1.498 18905 10113 1 17 . 1 1 9 9 GLN CB C 9 26.663 26.663 31.231 -4.568 18905 10114 1 17 . 1 1 9 9 GLN H H 9 8.240 8.240 8.690 -0.450 18905 10115 1 17 . 1 1 10 10 ALA N N 10 124.490 124.490 124.336 0.154 18905 10116 1 17 . 1 1 10 10 ALA HA H 10 4.238 4.238 5.058 -0.820 18905 10117 1 17 . 1 1 10 10 ALA C C 10 175.142 175.142 175.493 -0.351 18905 10118 1 17 . 1 1 10 10 ALA CA C 10 50.121 50.121 51.572 -1.451 18905 10119 1 17 . 1 1 10 10 ALA CB C 10 16.322 16.322 20.214 -3.892 18905 10120 1 17 . 1 1 10 10 ALA H H 10 8.132 8.132 8.617 -0.485 18905 10121 1 17 . 1 1 11 11 LEU N N 11 120.785 120.785 120.918 -0.133 18905 10122 1 17 . 1 1 11 11 LEU HA H 11 4.278 4.278 5.336 -1.058 18905 10123 1 17 . 1 1 11 11 LEU C C 11 174.929 174.929 175.589 -0.660 18905 10124 1 17 . 1 1 11 11 LEU CA C 11 52.612 52.612 54.020 -1.407 18905 10125 1 17 . 1 1 11 11 LEU CB C 11 39.647 39.647 44.755 -5.108 18905 10126 1 17 . 1 1 11 11 LEU H H 11 8.088 8.088 8.627 -0.539 18905 10127 1 17 . 1 1 12 12 SER N N 12 116.121 116.121 116.068 0.053 18905 10128 1 17 . 1 1 12 12 SER C C 12 171.977 171.977 172.608 -0.631 18905 10129 1 17 . 1 1 12 12 SER CA C 12 55.621 55.621 57.843 -2.222 18905 10130 1 17 . 1 1 12 12 SER CB C 12 56.041 56.041 65.507 -9.466 18905 10131 1 17 . 1 1 12 12 SER H H 12 8.170 8.170 8.957 -0.787 18905 10132 1 17 . 1 1 13 13 GLN N N 13 122.139 122.139 119.364 2.775 18905 10133 1 17 . 1 1 13 13 GLN HA H 13 4.312 4.312 5.114 -0.802 18905 10134 1 17 . 1 1 13 13 GLN CA C 13 54.059 54.059 54.586 -0.527 18905 10135 1 17 . 1 1 13 13 GLN H H 13 8.368 8.368 8.823 -0.455 18905 10136 1 17 . 1 1 14 14 GLY N N 14 109.259 109.259 109.390 -0.131 18905 10137 1 17 . 1 1 14 14 GLY CA C 14 42.970 42.970 44.582 -1.612 18905 10138 1 17 . 1 1 14 14 GLY H H 14 8.378 8.378 9.060 -0.682 18905 10139 1 17 . 1 1 15 15 SER N N 15 115.486 115.486 113.811 1.675 18905 10140 1 17 . 1 1 15 15 SER HA H 15 4.378 4.378 4.912 -0.534 18905 10141 1 17 . 1 1 15 15 SER CA C 15 55.853 55.853 57.783 -1.930 18905 10142 1 17 . 1 1 15 15 SER CB C 15 59.406 59.406 66.464 -7.058 18905 10143 1 17 . 1 1 15 15 SER H H 15 8.085 8.085 8.595 -0.510 18905 10144 1 17 . 1 1 16 16 GLU N N 16 120.501 120.501 121.153 -0.652 18905 10145 1 17 . 1 1 16 16 GLU HA H 16 4.664 4.664 4.630 0.034 18905 10146 1 17 . 1 1 16 16 GLU CA C 16 50.628 50.628 54.984 -4.356 18905 10147 1 17 . 1 1 16 16 GLU CB C 16 36.442 36.442 29.892 6.550 18905 10148 1 17 . 1 1 16 16 GLU H H 16 8.376 8.376 8.626 -0.250 18905 10149 1 17 . 1 1 17 17 PRO CA C 17 65.700 65.700 62.736 2.963 18905 10150 1 17 . 1 1 22 22 ALA N N 22 124.130 124.130 123.808 0.322 18905 10151 1 17 . 1 1 22 22 ALA HA H 22 4.178 4.178 4.614 -0.436 18905 10152 1 17 . 1 1 22 22 ALA CA C 22 49.746 49.746 51.773 -2.027 18905 10153 1 17 . 1 1 22 22 ALA CB C 22 16.789 16.789 20.919 -4.130 18905 10154 1 17 . 1 1 22 22 ALA H H 22 8.096 8.096 8.314 -0.218 18905 10155 1 17 . 1 1 23 23 ASN N N 23 117.516 117.516 119.644 -2.128 18905 10156 1 17 . 1 1 23 23 ASN HA H 23 4.672 4.672 4.831 -0.159 18905 10157 1 17 . 1 1 23 23 ASN C C 23 171.179 171.179 172.708 -1.529 18905 10158 1 17 . 1 1 23 23 ASN CA C 23 50.084 50.084 53.023 -2.939 18905 10159 1 17 . 1 1 23 23 ASN CB C 23 36.737 36.737 41.022 -4.285 18905 10160 1 17 . 1 1 23 23 ASN H H 23 8.037 8.037 8.361 -0.324 18905 10161 1 17 . 1 1 24 24 ASP N N 24 118.387 118.387 119.876 -1.489 18905 10162 1 17 . 1 1 24 24 ASP HA H 24 4.676 4.676 4.954 -0.278 18905 10163 1 17 . 1 1 24 24 ASP CA C 24 50.660 50.660 54.039 -3.379 18905 10164 1 17 . 1 1 24 24 ASP CB C 24 40.670 40.670 43.827 -3.157 18905 10165 1 17 . 1 1 24 24 ASP H H 24 8.198 8.198 8.599 -0.401 18905 10166 1 17 . 1 1 25 25 THR N N 25 114.224 114.224 118.066 -3.842 18905 10167 1 17 . 1 1 25 25 THR HA H 25 5.275 5.275 4.956 0.319 18905 10168 1 17 . 1 1 25 25 THR CA C 25 59.162 59.162 62.395 -3.233 18905 10169 1 17 . 1 1 25 25 THR CB C 25 68.849 68.849 72.421 -3.572 18905 10170 1 17 . 1 1 25 25 THR H H 25 8.090 8.090 8.344 -0.254 18905 10171 1 17 . 1 1 26 26 ILE N N 26 126.637 126.637 126.033 0.604 18905 10172 1 17 . 1 1 26 26 ILE HA H 26 4.650 4.650 4.609 0.041 18905 10173 1 17 . 1 1 26 26 ILE C C 26 171.500 171.500 174.550 -3.050 18905 10174 1 17 . 1 1 26 26 ILE CA C 26 56.930 56.930 61.895 -4.965 18905 10175 1 17 . 1 1 26 26 ILE CB C 26 38.159 38.159 39.847 -1.688 18905 10176 1 17 . 1 1 26 26 ILE H H 26 9.314 9.314 8.497 0.817 18905 10177 1 17 . 1 1 27 27 ILE N N 27 126.764 126.764 125.665 1.099 18905 10178 1 17 . 1 1 27 27 ILE HA H 27 4.955 4.955 5.050 -0.095 18905 10179 1 17 . 1 1 27 27 ILE C C 27 171.462 171.462 174.096 -2.634 18905 10180 1 17 . 1 1 27 27 ILE CA C 27 56.909 56.909 59.366 -2.457 18905 10181 1 17 . 1 1 27 27 ILE CB C 27 38.397 38.397 42.031 -3.634 18905 10182 1 17 . 1 1 27 27 ILE H H 27 9.280 9.280 8.655 0.625 18905 10183 1 17 . 1 1 28 28 LEU N N 28 125.666 125.666 128.797 -3.131 18905 10184 1 17 . 1 1 28 28 LEU HA H 28 4.858 4.858 4.957 -0.099 18905 10185 1 17 . 1 1 28 28 LEU C C 28 172.714 172.714 176.607 -3.893 18905 10186 1 17 . 1 1 28 28 LEU CA C 28 50.153 50.153 53.259 -3.106 18905 10187 1 17 . 1 1 28 28 LEU CB C 28 39.943 39.943 41.871 -1.928 18905 10188 1 17 . 1 1 28 28 LEU H H 28 8.791 8.791 8.712 0.079 18905 10189 1 17 . 1 1 29 29 ARG N N 29 119.656 119.656 119.354 0.302 18905 10190 1 17 . 1 1 29 29 ARG HA H 29 5.023 5.023 4.796 0.227 18905 10191 1 17 . 1 1 29 29 ARG C C 29 172.927 172.927 176.270 -3.343 18905 10192 1 17 . 1 1 29 29 ARG CA C 29 51.933 51.933 54.573 -2.640 18905 10193 1 17 . 1 1 29 29 ARG CB C 29 31.298 31.298 33.610 -2.312 18905 10194 1 17 . 1 1 29 29 ARG H H 29 8.742 8.742 7.876 0.866 18905 10195 1 17 . 1 1 30 30 ASN N N 30 115.104 115.104 116.096 -0.992 18905 10196 1 17 . 1 1 30 30 ASN HA H 30 4.319 4.319 4.370 -0.051 18905 10197 1 17 . 1 1 30 30 ASN C C 30 172.025 172.025 174.274 -2.249 18905 10198 1 17 . 1 1 30 30 ASN CA C 30 51.550 51.550 54.113 -2.563 18905 10199 1 17 . 1 1 30 30 ASN CB C 30 35.656 35.656 37.830 -2.174 18905 10200 1 17 . 1 1 30 30 ASN H H 30 8.292 8.292 8.850 -0.558 18905 10201 1 17 . 1 1 31 31 LEU N N 31 113.394 113.394 116.525 -3.131 18905 10202 1 17 . 1 1 31 31 LEU HA H 31 3.915 3.915 4.298 -0.383 18905 10203 1 17 . 1 1 31 31 LEU C C 31 175.815 175.815 176.437 -0.622 18905 10204 1 17 . 1 1 31 31 LEU CA C 31 52.148 52.148 55.645 -3.497 18905 10205 1 17 . 1 1 31 31 LEU CB C 31 39.876 39.876 42.759 -2.883 18905 10206 1 17 . 1 1 31 31 LEU H H 31 7.602 7.602 7.710 -0.108 18905 10207 1 17 . 1 1 32 32 ASN N N 32 123.357 123.357 114.855 8.502 18905 10208 1 17 . 1 1 32 32 ASN HA H 32 4.476 4.476 5.040 -0.564 18905 10209 1 17 . 1 1 32 32 ASN CA C 32 48.784 48.784 51.158 -2.374 18905 10210 1 17 . 1 1 32 32 ASN CB C 32 36.284 36.284 40.302 -4.018 18905 10211 1 17 . 1 1 32 32 ASN H H 32 9.816 9.816 8.158 1.658 18905 10212 1 17 . 1 1 33 33 PRO HA H 33 4.339 4.339 4.450 -0.111 18905 10213 1 17 . 1 1 33 33 PRO CA C 33 61.514 61.514 65.172 -3.658 18905 10214 1 17 . 1 1 33 33 PRO CB C 33 30.320 30.320 31.914 -1.594 18905 10215 1 17 . 1 1 34 34 HIS N N 34 111.187 111.187 114.183 -2.996 18905 10216 1 17 . 1 1 34 34 HIS HA H 34 4.402 4.402 4.680 -0.278 18905 10217 1 17 . 1 1 34 34 HIS CA C 34 53.125 53.125 55.718 -2.593 18905 10218 1 17 . 1 1 34 34 HIS CB C 34 25.760 25.760 29.517 -3.757 18905 10219 1 17 . 1 1 34 34 HIS H H 34 8.856 8.856 8.368 0.488 18905 10220 1 17 . 1 1 35 35 SER N N 35 118.219 118.219 117.817 0.402 18905 10221 1 17 . 1 1 35 35 SER HA H 35 4.718 4.718 4.404 0.314 18905 10222 1 17 . 1 1 35 35 SER CB C 35 60.222 60.222 63.910 -3.688 18905 10223 1 17 . 1 1 35 35 SER H H 35 8.262 8.262 7.929 0.333 18905 10224 1 17 . 1 1 36 36 THR N N 36 114.157 114.157 113.745 0.412 18905 10225 1 17 . 1 1 36 36 THR HA H 36 4.545 4.545 4.662 -0.117 18905 10226 1 17 . 1 1 36 36 THR CA C 36 56.508 56.508 60.316 -3.808 18905 10227 1 17 . 1 1 36 36 THR CB C 36 70.051 70.051 70.570 -0.519 18905 10228 1 17 . 1 1 36 36 THR H H 36 8.451 8.451 8.140 0.311 18905 10229 1 17 . 1 1 37 37 MET N N 37 119.815 119.815 118.164 1.651 18905 10230 1 17 . 1 1 37 37 MET HA H 37 3.943 3.943 4.324 -0.381 18905 10231 1 17 . 1 1 37 37 MET CA C 37 56.204 56.204 58.444 -2.240 18905 10232 1 17 . 1 1 37 37 MET CB C 37 28.959 28.959 32.350 -3.391 18905 10233 1 17 . 1 1 37 37 MET H H 37 8.928 8.928 8.582 0.346 18905 10234 1 17 . 1 1 38 38 ASP N N 38 115.357 115.357 119.530 -4.173 18905 10235 1 17 . 1 1 38 38 ASP HA H 38 4.301 4.301 4.381 -0.080 18905 10236 1 17 . 1 1 38 38 ASP CA C 38 54.750 54.750 58.033 -3.283 18905 10237 1 17 . 1 1 38 38 ASP CB C 38 37.934 37.934 39.702 -1.768 18905 10238 1 17 . 1 1 38 38 ASP H H 38 8.096 8.096 8.600 -0.504 18905 10239 1 17 . 1 1 39 39 SER N N 39 118.933 118.933 114.922 4.011 18905 10240 1 17 . 1 1 39 39 SER HA H 39 4.253 4.253 4.149 0.104 18905 10241 1 17 . 1 1 39 39 SER C C 39 174.818 174.818 176.214 -1.396 18905 10242 1 17 . 1 1 39 39 SER CA C 39 58.767 58.767 61.685 -2.918 18905 10243 1 17 . 1 1 39 39 SER CB C 39 61.631 61.631 63.152 -1.521 18905 10244 1 17 . 1 1 39 39 SER H H 39 8.088 8.088 8.131 -0.043 18905 10245 1 17 . 1 1 40 40 ILE N N 40 124.376 124.376 120.816 3.560 18905 10246 1 17 . 1 1 40 40 ILE HA H 40 3.538 3.538 3.773 -0.235 18905 10247 1 17 . 1 1 40 40 ILE C C 40 174.358 174.358 177.504 -3.146 18905 10248 1 17 . 1 1 40 40 ILE CA C 40 62.936 62.936 64.599 -1.663 18905 10249 1 17 . 1 1 40 40 ILE CB C 40 35.725 35.725 37.970 -2.245 18905 10250 1 17 . 1 1 40 40 ILE H H 40 8.009 8.009 7.578 0.431 18905 10251 1 17 . 1 1 41 41 LEU N N 41 117.914 117.914 120.469 -2.555 18905 10252 1 17 . 1 1 41 41 LEU HA H 41 3.818 3.818 3.882 -0.064 18905 10253 1 17 . 1 1 41 41 LEU C C 41 178.292 178.292 179.165 -0.873 18905 10254 1 17 . 1 1 41 41 LEU CA C 41 55.496 55.496 58.190 -2.694 18905 10255 1 17 . 1 1 41 41 LEU CB C 41 38.574 38.574 41.154 -2.580 18905 10256 1 17 . 1 1 41 41 LEU H H 41 8.574 8.574 7.796 0.778 18905 10257 1 17 . 1 1 42 42 GLY N N 42 105.053 105.053 105.682 -0.629 18905 10258 1 17 . 1 1 42 42 GLY C C 42 173.318 173.318 174.673 -1.355 18905 10259 1 17 . 1 1 42 42 GLY CA C 42 44.283 44.283 46.868 -2.585 18905 10260 1 17 . 1 1 42 42 GLY H H 42 8.207 8.207 8.510 -0.303 18905 10261 1 17 . 1 1 43 43 ALA N N 43 122.411 122.411 122.725 -0.314 18905 10262 1 17 . 1 1 43 43 ALA HA H 43 4.245 4.245 4.276 -0.031 18905 10263 1 17 . 1 1 43 43 ALA C C 43 176.200 176.200 177.955 -1.755 18905 10264 1 17 . 1 1 43 43 ALA CA C 43 51.148 51.148 54.135 -2.987 18905 10265 1 17 . 1 1 43 43 ALA CB C 43 17.381 17.381 19.639 -2.258 18905 10266 1 17 . 1 1 43 43 ALA H H 43 7.571 7.571 7.612 -0.041 18905 10267 1 17 . 1 1 44 44 LEU N N 44 113.121 113.121 116.501 -3.380 18905 10268 1 17 . 1 1 44 44 LEU HA H 44 4.514 4.514 4.780 -0.266 18905 10269 1 17 . 1 1 44 44 LEU C C 44 174.187 174.187 178.997 -4.810 18905 10270 1 17 . 1 1 44 44 LEU CA C 44 52.247 52.247 53.814 -1.567 18905 10271 1 17 . 1 1 44 44 LEU CB C 44 40.210 40.210 41.084 -0.874 18905 10272 1 17 . 1 1 44 44 LEU H H 44 7.533 7.533 7.582 -0.049 18905 10273 1 17 . 1 1 45 45 ALA N N 45 123.574 123.574 124.578 -1.004 18905 10274 1 17 . 1 1 45 45 ALA HA H 45 4.313 4.313 4.028 0.285 18905 10275 1 17 . 1 1 45 45 ALA CA C 45 53.187 53.187 56.620 -3.433 18905 10276 1 17 . 1 1 45 45 ALA CB C 45 14.134 14.134 16.150 -2.016 18905 10277 1 17 . 1 1 45 45 ALA H H 45 7.398 7.398 8.630 -1.232 18905 10278 1 17 . 1 1 46 46 PRO HA H 46 4.043 4.043 4.239 -0.196 18905 10279 1 17 . 1 1 46 46 PRO CA C 46 61.784 61.784 64.138 -2.354 18905 10280 1 17 . 1 1 46 46 PRO CB C 46 27.999 27.999 31.340 -3.341 18905 10281 1 17 . 1 1 47 47 TYR N N 47 114.404 114.404 117.832 -3.428 18905 10282 1 17 . 1 1 47 47 TYR HA H 47 4.527 4.527 4.751 -0.224 18905 10283 1 17 . 1 1 47 47 TYR CA C 47 54.406 54.406 56.112 -1.706 18905 10284 1 17 . 1 1 47 47 TYR CB C 47 37.537 37.537 38.344 -0.807 18905 10285 1 17 . 1 1 47 47 TYR H H 47 7.897 7.897 7.808 0.089 18905 10286 1 17 . 1 1 48 48 ALA N N 48 119.845 119.845 120.790 -0.945 18905 10287 1 17 . 1 1 48 48 ALA HA H 48 4.360 4.360 4.640 -0.280 18905 10288 1 17 . 1 1 48 48 ALA C C 48 171.938 171.938 175.691 -3.753 18905 10289 1 17 . 1 1 48 48 ALA CA C 48 49.129 49.129 50.791 -1.662 18905 10290 1 17 . 1 1 48 48 ALA CB C 48 19.614 19.614 21.512 -1.898 18905 10291 1 17 . 1 1 48 48 ALA H H 48 8.083 8.083 7.268 0.815 18905 10292 1 17 . 1 1 49 49 VAL N N 49 122.528 122.528 120.939 1.589 18905 10293 1 17 . 1 1 49 49 VAL HA H 49 3.904 3.904 4.402 -0.498 18905 10294 1 17 . 1 1 49 49 VAL C C 49 172.490 172.490 174.555 -2.065 18905 10295 1 17 . 1 1 49 49 VAL CA C 49 60.373 60.373 61.901 -1.528 18905 10296 1 17 . 1 1 49 49 VAL CB C 49 28.257 28.257 31.226 -2.969 18905 10297 1 17 . 1 1 49 49 VAL H H 49 8.414 8.414 8.476 -0.062 18905 10298 1 17 . 1 1 50 50 LEU N N 50 127.924 127.924 123.884 4.040 18905 10299 1 17 . 1 1 50 50 LEU HA H 50 4.650 4.650 4.948 -0.298 18905 10300 1 17 . 1 1 50 50 LEU C C 50 172.488 172.488 175.355 -2.867 18905 10301 1 17 . 1 1 50 50 LEU CA C 50 50.523 50.523 53.915 -3.392 18905 10302 1 17 . 1 1 50 50 LEU CB C 50 42.647 42.647 42.946 -0.298 18905 10303 1 17 . 1 1 50 50 LEU H H 50 7.904 7.904 7.798 0.106 18905 10304 1 17 . 1 1 51 51 SER N N 51 114.999 114.999 113.069 1.930 18905 10305 1 17 . 1 1 51 51 SER HA H 51 4.783 4.783 4.787 -0.004 18905 10306 1 17 . 1 1 51 51 SER C C 51 172.827 172.827 174.306 -1.479 18905 10307 1 17 . 1 1 51 51 SER CA C 51 53.708 53.708 57.775 -4.067 18905 10308 1 17 . 1 1 51 51 SER CB C 51 63.424 63.424 65.198 -1.774 18905 10309 1 17 . 1 1 51 51 SER H H 51 8.623 8.623 8.166 0.457 18905 10310 1 17 . 1 1 52 52 SER N N 52 118.355 118.355 116.851 1.504 18905 10311 1 17 . 1 1 52 52 SER HA H 52 4.301 4.301 4.346 -0.045 18905 10312 1 17 . 1 1 52 52 SER C C 52 173.242 173.242 175.732 -2.490 18905 10313 1 17 . 1 1 52 52 SER CA C 52 58.709 58.709 60.399 -1.690 18905 10314 1 17 . 1 1 52 52 SER CB C 52 59.826 59.826 63.102 -3.276 18905 10315 1 17 . 1 1 52 52 SER H H 52 9.117 9.117 8.574 0.543 18905 10316 1 17 . 1 1 53 53 SER N N 53 114.926 114.926 115.120 -0.194 18905 10317 1 17 . 1 1 53 53 SER HA H 53 4.292 4.292 4.309 -0.017 18905 10318 1 17 . 1 1 53 53 SER CA C 53 57.882 57.882 60.460 -2.578 18905 10319 1 17 . 1 1 53 53 SER CB C 53 60.220 60.220 63.295 -3.075 18905 10320 1 17 . 1 1 53 53 SER H H 53 8.014 8.014 7.979 0.035 18905 10321 1 17 . 1 1 54 54 ASN N N 54 116.432 116.432 118.793 -2.361 18905 10322 1 17 . 1 1 54 54 ASN HA H 54 4.914 4.914 4.555 0.359 18905 10323 1 17 . 1 1 54 54 ASN C C 54 170.744 170.744 176.135 -5.391 18905 10324 1 17 . 1 1 54 54 ASN CA C 54 52.054 52.054 55.416 -3.362 18905 10325 1 17 . 1 1 54 54 ASN CB C 54 38.952 38.952 39.073 -0.121 18905 10326 1 17 . 1 1 54 54 ASN H H 54 7.996 7.996 7.944 0.052 18905 10327 1 17 . 1 1 55 55 VAL N N 55 118.877 118.877 122.617 -3.740 18905 10328 1 17 . 1 1 55 55 VAL HA H 55 4.891 4.891 4.379 0.512 18905 10329 1 17 . 1 1 55 55 VAL C C 55 171.238 171.238 174.810 -3.572 18905 10330 1 17 . 1 1 55 55 VAL CA C 55 58.709 58.709 61.558 -2.849 18905 10331 1 17 . 1 1 55 55 VAL CB C 55 31.652 31.652 30.381 1.271 18905 10332 1 17 . 1 1 55 55 VAL H H 55 7.421 7.421 7.380 0.041 18905 10333 1 17 . 1 1 56 56 ARG N N 56 125.757 125.757 129.690 -3.933 18905 10334 1 17 . 1 1 56 56 ARG HA H 56 4.708 4.708 4.362 0.346 18905 10335 1 17 . 1 1 56 56 ARG C C 56 172.321 172.321 175.029 -2.708 18905 10336 1 17 . 1 1 56 56 ARG CA C 56 51.878 51.878 54.324 -2.446 18905 10337 1 17 . 1 1 56 56 ARG CB C 56 30.211 30.211 29.562 0.649 18905 10338 1 17 . 1 1 56 56 ARG H H 56 9.011 9.011 8.351 0.660 18905 10339 1 17 . 1 1 57 57 VAL N N 57 125.646 125.646 128.219 -2.573 18905 10340 1 17 . 1 1 57 57 VAL HA H 57 3.878 3.878 3.882 -0.004 18905 10341 1 17 . 1 1 57 57 VAL C C 57 172.129 172.129 175.002 -2.873 18905 10342 1 17 . 1 1 57 57 VAL CA C 57 59.043 59.043 61.696 -2.653 18905 10343 1 17 . 1 1 57 57 VAL CB C 57 30.019 30.019 31.220 -1.200 18905 10344 1 17 . 1 1 57 57 VAL H H 57 8.794 8.794 7.859 0.935 18905 10345 1 17 . 1 1 58 58 ILE N N 58 127.547 127.547 129.181 -1.634 18905 10346 1 17 . 1 1 58 58 ILE HA H 58 4.049 4.049 4.049 -0.000 18905 10347 1 17 . 1 1 58 58 ILE C C 58 172.672 172.672 175.788 -3.116 18905 10348 1 17 . 1 1 58 58 ILE CA C 58 57.246 57.246 60.481 -3.235 18905 10349 1 17 . 1 1 58 58 ILE CB C 58 32.839 32.839 37.991 -5.152 18905 10350 1 17 . 1 1 58 58 ILE H H 58 7.259 7.259 7.675 -0.416 18905 10351 1 17 . 1 1 59 59 LYS N N 59 127.231 127.231 121.428 5.803 18905 10352 1 17 . 1 1 59 59 LYS HA H 59 4.532 4.532 4.602 -0.070 18905 10353 1 17 . 1 1 59 59 LYS C C 59 173.119 173.119 175.080 -1.961 18905 10354 1 17 . 1 1 59 59 LYS CA C 59 52.444 52.444 54.612 -2.168 18905 10355 1 17 . 1 1 59 59 LYS CB C 59 32.374 32.374 35.867 -3.494 18905 10356 1 17 . 1 1 59 59 LYS H H 59 8.571 8.571 8.017 0.554 18905 10357 1 17 . 1 1 60 60 ASP N N 60 123.232 123.232 124.058 -0.826 18905 10358 1 17 . 1 1 60 60 ASP HA H 60 4.496 4.496 4.552 -0.056 18905 10359 1 17 . 1 1 60 60 ASP C C 60 174.118 174.118 176.319 -2.201 18905 10360 1 17 . 1 1 60 60 ASP CA C 60 50.786 50.786 54.151 -3.365 18905 10361 1 17 . 1 1 60 60 ASP CB C 60 40.058 40.058 41.757 -1.698 18905 10362 1 17 . 1 1 60 60 ASP H H 60 8.527 8.527 8.682 -0.155 18905 10363 1 17 . 1 1 61 61 LYS N N 61 125.977 125.977 125.197 0.780 18905 10364 1 17 . 1 1 61 61 LYS HA H 61 3.918 3.918 4.223 -0.305 18905 10365 1 17 . 1 1 61 61 LYS C C 61 174.696 174.696 177.500 -2.804 18905 10366 1 17 . 1 1 61 61 LYS CA C 61 56.017 56.017 57.849 -1.831 18905 10367 1 17 . 1 1 61 61 LYS CB C 61 29.813 29.813 32.611 -2.798 18905 10368 1 17 . 1 1 61 61 LYS H H 61 8.770 8.770 8.581 0.189 18905 10369 1 17 . 1 1 62 62 GLN N N 62 116.732 116.732 118.205 -1.473 18905 10370 1 17 . 1 1 62 62 GLN HA H 62 4.252 4.252 4.151 0.101 18905 10371 1 17 . 1 1 62 62 GLN C C 62 174.793 174.793 176.850 -2.057 18905 10372 1 17 . 1 1 62 62 GLN CA C 62 55.001 55.001 57.809 -2.808 18905 10373 1 17 . 1 1 62 62 GLN CB C 62 26.516 26.516 29.220 -2.704 18905 10374 1 17 . 1 1 62 62 GLN H H 62 8.538 8.538 8.796 -0.258 18905 10375 1 17 . 1 1 63 63 THR N N 63 108.519 108.519 110.283 -1.764 18905 10376 1 17 . 1 1 63 63 THR HA H 63 4.265 4.265 4.355 -0.090 18905 10377 1 17 . 1 1 63 63 THR CA C 63 59.302 59.302 60.331 -1.029 18905 10378 1 17 . 1 1 63 63 THR CB C 63 67.891 67.891 71.028 -3.137 18905 10379 1 17 . 1 1 63 63 THR H H 63 7.882 7.882 8.011 -0.129 18905 10380 1 17 . 1 1 64 64 GLN N N 64 113.890 113.890 118.749 -4.859 18905 10381 1 17 . 1 1 64 64 GLN HA H 64 3.829 3.829 4.630 -0.801 18905 10382 1 17 . 1 1 64 64 GLN C C 64 172.129 172.129 174.427 -2.298 18905 10383 1 17 . 1 1 64 64 GLN CA C 64 54.560 54.560 54.769 -0.209 18905 10384 1 17 . 1 1 64 64 GLN CB C 64 23.812 23.812 27.826 -4.014 18905 10385 1 17 . 1 1 64 64 GLN H H 64 8.188 8.188 8.419 -0.231 18905 10386 1 17 . 1 1 65 65 LEU N N 65 119.516 119.516 119.036 0.480 18905 10387 1 17 . 1 1 65 65 LEU HA H 65 4.463 4.463 4.886 -0.423 18905 10388 1 17 . 1 1 65 65 LEU C C 65 174.174 174.174 175.752 -1.578 18905 10389 1 17 . 1 1 65 65 LEU CA C 65 51.024 51.024 53.062 -2.038 18905 10390 1 17 . 1 1 65 65 LEU CB C 65 39.608 39.608 45.558 -5.950 18905 10391 1 17 . 1 1 65 65 LEU H H 65 7.682 7.682 7.513 0.169 18905 10392 1 17 . 1 1 66 66 ASN N N 66 117.776 117.776 119.348 -1.572 18905 10393 1 17 . 1 1 66 66 ASN HA H 66 4.958 4.958 4.879 0.079 18905 10394 1 17 . 1 1 66 66 ASN C C 66 171.913 171.913 175.874 -3.961 18905 10395 1 17 . 1 1 66 66 ASN CA C 66 50.440 50.440 52.660 -2.220 18905 10396 1 17 . 1 1 66 66 ASN CB C 66 36.771 36.771 39.159 -2.388 18905 10397 1 17 . 1 1 66 66 ASN H H 66 8.771 8.771 8.683 0.088 18905 10398 1 17 . 1 1 67 67 ARG N N 67 117.508 117.508 118.813 -1.305 18905 10399 1 17 . 1 1 67 67 ARG HA H 67 4.193 4.193 4.552 -0.359 18905 10400 1 17 . 1 1 67 67 ARG CA C 67 53.615 53.615 55.337 -1.722 18905 10401 1 17 . 1 1 67 67 ARG CB C 67 28.137 28.137 30.043 -1.906 18905 10402 1 17 . 1 1 67 67 ARG H H 67 8.313 8.313 8.393 -0.080 18905 10403 1 17 . 1 1 68 68 GLY N N 68 107.904 107.904 108.966 -1.062 18905 10404 1 17 . 1 1 68 68 GLY CA C 68 42.842 42.842 46.274 -3.432 18905 10405 1 17 . 1 1 68 68 GLY H H 68 9.437 9.437 9.138 0.299 18905 10406 1 17 . 1 1 69 69 PHE N N 69 113.804 113.804 114.593 -0.789 18905 10407 1 17 . 1 1 69 69 PHE HA H 69 5.754 5.754 5.561 0.193 18905 10408 1 17 . 1 1 69 69 PHE C C 69 170.151 170.151 172.767 -2.616 18905 10409 1 17 . 1 1 69 69 PHE CA C 69 51.625 51.625 54.400 -2.775 18905 10410 1 17 . 1 1 69 69 PHE CB C 69 39.587 39.587 41.300 -1.712 18905 10411 1 17 . 1 1 69 69 PHE H H 69 6.750 6.750 7.449 -0.699 18905 10412 1 17 . 1 1 70 70 ALA N N 70 118.965 118.965 118.519 0.446 18905 10413 1 17 . 1 1 70 70 ALA HA H 70 4.807 4.807 3.815 0.992 18905 10414 1 17 . 1 1 70 70 ALA C C 70 171.693 171.693 174.575 -2.882 18905 10415 1 17 . 1 1 70 70 ALA CA C 70 47.155 47.155 50.728 -3.573 18905 10416 1 17 . 1 1 70 70 ALA CB C 70 21.153 21.153 22.063 -0.910 18905 10417 1 17 . 1 1 70 70 ALA H H 70 8.526 8.526 7.773 0.753 18905 10418 1 17 . 1 1 71 71 PHE N N 71 117.469 117.469 117.614 -0.145 18905 10419 1 17 . 1 1 71 71 PHE HA H 71 5.537 5.537 5.608 -0.071 18905 10420 1 17 . 1 1 71 71 PHE C C 71 172.630 172.630 174.253 -1.623 18905 10421 1 17 . 1 1 71 71 PHE CA C 71 52.609 52.609 55.268 -2.659 18905 10422 1 17 . 1 1 71 71 PHE CB C 71 39.675 39.675 44.438 -4.763 18905 10423 1 17 . 1 1 71 71 PHE H H 71 8.824 8.824 8.144 0.680 18905 10424 1 17 . 1 1 72 72 ILE N N 72 122.867 122.867 120.583 2.284 18905 10425 1 17 . 1 1 72 72 ILE HA H 72 5.022 5.022 4.758 0.264 18905 10426 1 17 . 1 1 72 72 ILE CA C 72 56.881 56.881 60.556 -3.675 18905 10427 1 17 . 1 1 72 72 ILE CB C 72 37.031 37.031 41.998 -4.967 18905 10428 1 17 . 1 1 72 72 ILE H H 72 9.555 9.555 8.766 0.789 18905 10429 1 17 . 1 1 73 73 GLN N N 73 128.422 128.422 127.950 0.472 18905 10430 1 17 . 1 1 73 73 GLN HA H 73 5.170 5.170 4.263 0.907 18905 10431 1 17 . 1 1 73 73 GLN CA C 73 52.252 52.252 55.972 -3.720 18905 10432 1 17 . 1 1 73 73 GLN CB C 73 28.291 28.291 28.977 -0.686 18905 10433 1 17 . 1 1 73 73 GLN H H 73 8.964 8.964 8.425 0.539 18905 10434 1 17 . 1 1 74 74 LEU N N 74 126.707 126.707 125.457 1.250 18905 10435 1 17 . 1 1 74 74 LEU HA H 74 4.789 4.789 4.594 0.195 18905 10436 1 17 . 1 1 74 74 LEU CA C 74 50.617 50.617 53.474 -2.857 18905 10437 1 17 . 1 1 74 74 LEU CB C 74 44.885 44.885 45.788 -0.903 18905 10438 1 17 . 1 1 74 74 LEU H H 74 8.420 8.420 8.403 0.017 18905 10439 1 17 . 1 1 75 75 SER HA H 75 4.284 4.284 4.420 -0.136 18905 10440 1 17 . 1 1 75 75 SER CA C 75 55.390 55.390 57.813 -2.424 18905 10441 1 17 . 1 1 75 75 SER CB C 75 61.275 61.275 64.240 -2.965 18905 10442 1 17 . 1 1 76 76 THR N N 76 116.193 116.193 119.707 -3.514 18905 10443 1 17 . 1 1 76 76 THR HA H 76 3.994 3.994 4.095 -0.101 18905 10444 1 17 . 1 1 76 76 THR C C 76 174.630 174.630 176.567 -1.937 18905 10445 1 17 . 1 1 76 76 THR CA C 76 64.225 64.225 65.948 -1.723 18905 10446 1 17 . 1 1 76 76 THR CB C 76 66.003 66.003 68.488 -2.485 18905 10447 1 17 . 1 1 76 76 THR H H 76 8.614 8.614 8.737 -0.123 18905 10448 1 17 . 1 1 77 77 ILE N N 77 120.400 120.400 120.375 0.025 18905 10449 1 17 . 1 1 77 77 ILE HA H 77 3.911 3.911 3.776 0.135 18905 10450 1 17 . 1 1 77 77 ILE C C 77 175.577 175.577 177.674 -2.097 18905 10451 1 17 . 1 1 77 77 ILE CA C 77 61.264 61.264 64.312 -3.049 18905 10452 1 17 . 1 1 77 77 ILE CB C 77 35.379 35.379 37.565 -2.186 18905 10453 1 17 . 1 1 77 77 ILE H H 77 8.044 8.044 8.554 -0.510 18905 10454 1 17 . 1 1 78 78 GLU N N 78 120.562 120.562 120.076 0.486 18905 10455 1 17 . 1 1 78 78 GLU HA H 78 4.062 4.062 3.976 0.086 18905 10456 1 17 . 1 1 78 78 GLU C C 78 176.596 176.596 178.641 -2.045 18905 10457 1 17 . 1 1 78 78 GLU CA C 78 56.355 56.355 59.586 -3.231 18905 10458 1 17 . 1 1 78 78 GLU CB C 78 27.668 27.668 29.102 -1.434 18905 10459 1 17 . 1 1 78 78 GLU H H 78 7.548 7.548 8.303 -0.755 18905 10460 1 17 . 1 1 79 79 ALA N N 79 122.789 122.789 121.874 0.915 18905 10461 1 17 . 1 1 79 79 ALA HA H 79 3.923 3.923 3.949 -0.026 18905 10462 1 17 . 1 1 79 79 ALA C C 79 175.736 175.736 179.059 -3.323 18905 10463 1 17 . 1 1 79 79 ALA CA C 79 52.649 52.649 54.938 -2.289 18905 10464 1 17 . 1 1 79 79 ALA CB C 79 15.305 15.305 18.123 -2.818 18905 10465 1 17 . 1 1 79 79 ALA H H 79 9.279 9.279 8.401 0.878 18905 10466 1 17 . 1 1 80 80 ALA N N 80 118.643 118.643 120.201 -1.558 18905 10467 1 17 . 1 1 80 80 ALA HA H 80 4.001 4.001 3.618 0.383 18905 10468 1 17 . 1 1 80 80 ALA C C 80 177.943 177.943 179.705 -1.762 18905 10469 1 17 . 1 1 80 80 ALA CA C 80 52.521 52.521 54.596 -2.075 18905 10470 1 17 . 1 1 80 80 ALA CB C 80 15.281 15.281 18.563 -3.282 18905 10471 1 17 . 1 1 80 80 ALA H H 80 7.688 7.688 7.314 0.374 18905 10472 1 17 . 1 1 81 81 GLN N N 81 116.877 116.877 117.751 -0.874 18905 10473 1 17 . 1 1 81 81 GLN HA H 81 4.015 4.015 4.062 -0.047 18905 10474 1 17 . 1 1 81 81 GLN CA C 81 55.760 55.760 58.092 -2.332 18905 10475 1 17 . 1 1 81 81 GLN CB C 81 25.786 25.786 28.500 -2.714 18905 10476 1 17 . 1 1 81 81 GLN H H 81 7.593 7.593 8.162 -0.569 18905 10477 1 17 . 1 1 82 82 LEU N N 82 119.946 119.946 120.635 -0.689 18905 10478 1 17 . 1 1 82 82 LEU HA H 82 4.121 4.121 4.042 0.079 18905 10479 1 17 . 1 1 82 82 LEU C C 82 175.358 175.358 178.883 -3.525 18905 10480 1 17 . 1 1 82 82 LEU CA C 82 54.781 54.781 57.239 -2.458 18905 10481 1 17 . 1 1 82 82 LEU CB C 82 38.240 38.240 40.995 -2.755 18905 10482 1 17 . 1 1 82 82 LEU H H 82 8.258 8.258 7.777 0.481 18905 10483 1 17 . 1 1 83 83 LEU N N 83 119.288 119.288 118.967 0.321 18905 10484 1 17 . 1 1 83 83 LEU HA H 83 3.585 3.585 3.793 -0.208 18905 10485 1 17 . 1 1 83 83 LEU C C 83 175.365 175.365 178.710 -3.345 18905 10486 1 17 . 1 1 83 83 LEU CA C 83 56.142 56.142 57.883 -1.741 18905 10487 1 17 . 1 1 83 83 LEU CB C 83 38.875 38.875 41.665 -2.790 18905 10488 1 17 . 1 1 83 83 LEU H H 83 8.407 8.407 7.404 1.003 18905 10489 1 17 . 1 1 84 84 GLN N N 84 115.391 115.391 117.854 -2.463 18905 10490 1 17 . 1 1 84 84 GLN HA H 84 3.878 3.878 3.997 -0.119 18905 10491 1 17 . 1 1 84 84 GLN C C 84 176.472 176.472 178.918 -2.446 18905 10492 1 17 . 1 1 84 84 GLN CA C 84 56.142 56.142 58.637 -2.495 18905 10493 1 17 . 1 1 84 84 GLN CB C 84 25.733 25.733 28.502 -2.768 18905 10494 1 17 . 1 1 84 84 GLN H H 84 7.347 7.347 7.485 -0.138 18905 10495 1 17 . 1 1 85 85 ILE N N 85 119.593 119.593 120.850 -1.257 18905 10496 1 17 . 1 1 85 85 ILE HA H 85 3.607 3.607 3.632 -0.025 18905 10497 1 17 . 1 1 85 85 ILE CA C 85 61.779 61.779 64.294 -2.515 18905 10498 1 17 . 1 1 85 85 ILE CB C 85 35.948 35.948 37.734 -1.786 18905 10499 1 17 . 1 1 85 85 ILE H H 85 7.650 7.650 7.606 0.044 18905 10500 1 17 . 1 1 86 86 LEU N N 86 116.537 116.537 118.974 -2.437 18905 10501 1 17 . 1 1 86 86 LEU HA H 86 3.757 3.757 4.019 -0.262 18905 10502 1 17 . 1 1 86 86 LEU C C 86 177.610 177.610 179.102 -1.492 18905 10503 1 17 . 1 1 86 86 LEU CA C 86 54.521 54.521 58.230 -3.709 18905 10504 1 17 . 1 1 86 86 LEU CB C 86 39.226 39.226 41.383 -2.157 18905 10505 1 17 . 1 1 86 86 LEU H H 86 8.410 8.410 8.171 0.239 18905 10506 1 17 . 1 1 87 87 GLN N N 87 115.959 115.959 117.646 -1.687 18905 10507 1 17 . 1 1 87 87 GLN HA H 87 4.009 4.009 4.128 -0.119 18905 10508 1 17 . 1 1 87 87 GLN C C 87 174.156 174.156 177.075 -2.919 18905 10509 1 17 . 1 1 87 87 GLN CA C 87 55.735 55.735 58.018 -2.283 18905 10510 1 17 . 1 1 87 87 GLN CB C 87 25.516 25.516 28.570 -3.054 18905 10511 1 17 . 1 1 87 87 GLN H H 87 8.406 8.406 7.643 0.763 18905 10512 1 17 . 1 1 88 88 ALA N N 88 120.044 120.044 121.444 -1.400 18905 10513 1 17 . 1 1 88 88 ALA HA H 88 4.338 4.338 4.226 0.112 18905 10514 1 17 . 1 1 88 88 ALA C C 88 174.373 174.373 176.743 -2.370 18905 10515 1 17 . 1 1 88 88 ALA CA C 88 48.933 48.933 52.871 -3.938 18905 10516 1 17 . 1 1 88 88 ALA CB C 88 16.681 16.681 19.561 -2.880 18905 10517 1 17 . 1 1 88 88 ALA H H 88 7.110 7.110 7.714 -0.604 18905 10518 1 17 . 1 1 89 89 LEU N N 89 119.696 119.696 114.362 5.334 18905 10519 1 17 . 1 1 89 89 LEU HA H 89 3.929 3.929 4.688 -0.759 18905 10520 1 17 . 1 1 89 89 LEU C C 89 175.387 175.387 175.047 0.340 18905 10521 1 17 . 1 1 89 89 LEU CA C 89 53.364 53.364 53.796 -0.432 18905 10522 1 17 . 1 1 89 89 LEU CB C 89 39.775 39.775 43.867 -4.092 18905 10523 1 17 . 1 1 89 89 LEU H H 89 6.693 6.693 7.413 -0.720 18905 10524 1 17 . 1 1 90 90 HIS N N 90 120.136 120.136 113.065 7.071 18905 10525 1 17 . 1 1 90 90 HIS HA H 90 4.419 4.419 4.974 -0.555 18905 10526 1 17 . 1 1 90 90 HIS CA C 90 50.226 50.226 52.775 -2.549 18905 10527 1 17 . 1 1 90 90 HIS CB C 90 27.853 27.853 30.165 -2.312 18905 10528 1 17 . 1 1 90 90 HIS H H 90 8.299 8.299 8.038 0.261 18905 10529 1 17 . 1 1 91 91 PRO HA H 91 4.367 4.367 4.780 -0.413 18905 10530 1 17 . 1 1 91 91 PRO CA C 91 60.550 60.550 61.576 -1.026 18905 10531 1 17 . 1 1 91 91 PRO CB C 91 29.416 29.416 31.582 -2.167 18905 10532 1 17 . 1 1 92 92 PRO HA H 92 4.815 4.815 4.432 0.383 18905 10533 1 17 . 1 1 92 92 PRO CA C 92 59.812 59.812 63.245 -3.433 18905 10534 1 17 . 1 1 92 92 PRO CB C 92 30.119 30.119 32.319 -2.200 18905 10535 1 17 . 1 1 93 93 LEU N N 93 121.469 121.469 121.391 0.078 18905 10536 1 17 . 1 1 93 93 LEU HA H 93 3.954 3.954 4.581 -0.627 18905 10537 1 17 . 1 1 93 93 LEU CA C 93 53.500 53.500 54.724 -1.224 18905 10538 1 17 . 1 1 93 93 LEU CB C 93 39.889 39.889 43.569 -3.680 18905 10539 1 17 . 1 1 93 93 LEU H H 93 8.404 8.404 7.903 0.501 18905 10540 1 17 . 1 1 94 94 THR HA H 94 5.276 5.276 4.585 0.691 18905 10541 1 17 . 1 1 94 94 THR CA C 94 57.077 57.077 61.708 -4.631 18905 10542 1 17 . 1 1 94 94 THR CB C 94 69.076 69.076 70.267 -1.191 18905 10543 1 17 . 1 1 95 95 ILE N N 95 121.239 121.239 126.725 -5.486 18905 10544 1 17 . 1 1 95 95 ILE HA H 95 4.184 4.184 4.298 -0.114 18905 10545 1 17 . 1 1 95 95 ILE CA C 95 58.054 58.054 60.659 -2.605 18905 10546 1 17 . 1 1 95 95 ILE CB C 95 37.534 37.534 39.752 -2.218 18905 10547 1 17 . 1 1 95 95 ILE H H 95 8.317 8.317 8.449 -0.132 18905 10548 1 17 . 1 1 96 96 ASP N N 96 130.909 130.909 127.699 3.210 18905 10549 1 17 . 1 1 96 96 ASP HA H 96 4.292 4.292 4.317 -0.025 18905 10550 1 17 . 1 1 96 96 ASP CA C 96 53.001 53.001 55.210 -2.209 18905 10551 1 17 . 1 1 96 96 ASP CB C 96 37.114 37.114 40.264 -3.150 18905 10552 1 17 . 1 1 96 96 ASP H H 96 9.837 9.837 9.038 0.799 18905 10553 1 17 . 1 1 97 97 GLY N N 97 102.578 102.578 103.942 -1.364 18905 10554 1 17 . 1 1 97 97 GLY C C 97 170.992 170.992 174.983 -3.991 18905 10555 1 17 . 1 1 97 97 GLY CA C 97 42.754 42.754 45.172 -2.418 18905 10556 1 17 . 1 1 97 97 GLY H H 97 8.638 8.638 8.555 0.083 18905 10557 1 17 . 1 1 98 98 LYS N N 98 120.330 120.330 120.924 -0.594 18905 10558 1 17 . 1 1 98 98 LYS HA H 98 4.629 4.629 4.450 0.179 18905 10559 1 17 . 1 1 98 98 LYS C C 98 172.675 172.675 175.620 -2.945 18905 10560 1 17 . 1 1 98 98 LYS CA C 98 50.304 50.304 55.932 -5.628 18905 10561 1 17 . 1 1 98 98 LYS CB C 98 31.136 31.136 33.598 -2.462 18905 10562 1 17 . 1 1 98 98 LYS H H 98 7.440 7.440 7.855 -0.415 18905 10563 1 17 . 1 1 99 99 THR N N 99 119.612 119.612 111.419 8.193 18905 10564 1 17 . 1 1 99 99 THR HA H 99 4.356 4.356 4.669 -0.313 18905 10565 1 17 . 1 1 99 99 THR C C 99 171.511 171.511 173.472 -1.961 18905 10566 1 17 . 1 1 99 99 THR CA C 99 60.382 60.382 60.374 0.008 18905 10567 1 17 . 1 1 99 99 THR CB C 99 65.967 65.967 71.391 -5.424 18905 10568 1 17 . 1 1 99 99 THR H H 99 8.626 8.626 8.379 0.247 18905 10569 1 17 . 1 1 100 100 ILE N N 100 129.389 129.389 121.956 7.433 18905 10570 1 17 . 1 1 100 100 ILE HA H 100 4.358 4.358 4.407 -0.049 18905 10571 1 17 . 1 1 100 100 ILE C C 100 172.710 172.710 175.521 -2.811 18905 10572 1 17 . 1 1 100 100 ILE CA C 100 55.202 55.202 60.559 -5.357 18905 10573 1 17 . 1 1 100 100 ILE CB C 100 34.925 34.925 37.924 -2.999 18905 10574 1 17 . 1 1 100 100 ILE H H 100 8.463 8.463 8.584 -0.121 18905 10575 1 17 . 1 1 101 101 ASN N N 101 123.767 123.767 120.439 3.328 18905 10576 1 17 . 1 1 101 101 ASN HA H 101 4.904 4.904 4.965 -0.061 18905 10577 1 17 . 1 1 101 101 ASN C C 101 170.860 170.860 174.344 -3.484 18905 10578 1 17 . 1 1 101 101 ASN CA C 101 49.884 49.884 51.462 -1.578 18905 10579 1 17 . 1 1 101 101 ASN CB C 101 38.364 38.364 41.685 -3.321 18905 10580 1 17 . 1 1 101 101 ASN H H 101 7.878 7.878 8.457 -0.579 18905 10581 1 17 . 1 1 102 102 VAL N N 102 122.207 122.207 119.866 2.341 18905 10582 1 17 . 1 1 102 102 VAL HA H 102 4.933 4.933 4.335 0.598 18905 10583 1 17 . 1 1 102 102 VAL C C 102 175.222 175.222 174.301 0.921 18905 10584 1 17 . 1 1 102 102 VAL CA C 102 57.981 57.981 61.119 -3.138 18905 10585 1 17 . 1 1 102 102 VAL CB C 102 31.183 31.183 33.951 -2.768 18905 10586 1 17 . 1 1 102 102 VAL H H 102 8.503 8.503 8.438 0.065 18905 10587 1 17 . 1 1 103 103 GLU N N 103 124.079 124.079 128.976 -4.897 18905 10588 1 17 . 1 1 103 103 GLU HA H 103 4.557 4.557 4.712 -0.155 18905 10589 1 17 . 1 1 103 103 GLU CA C 103 51.772 51.772 55.307 -3.535 18905 10590 1 17 . 1 1 103 103 GLU CB C 103 31.226 31.226 34.416 -3.189 18905 10591 1 17 . 1 1 103 103 GLU H H 103 8.627 8.627 8.343 0.284 18905 10592 1 17 . 1 1 104 104 PHE N N 104 121.287 121.287 122.933 -1.646 18905 10593 1 17 . 1 1 104 104 PHE HA H 104 5.047 5.047 5.035 0.012 18905 10594 1 17 . 1 1 104 104 PHE C C 104 173.023 173.023 174.484 -1.461 18905 10595 1 17 . 1 1 104 104 PHE CA C 104 55.305 55.305 55.519 -0.214 18905 10596 1 17 . 1 1 104 104 PHE CB C 104 38.342 38.342 40.874 -2.533 18905 10597 1 17 . 1 1 104 104 PHE H H 104 8.778 8.778 8.813 -0.035 18905 10598 1 17 . 1 1 105 105 ALA N N 105 127.703 127.703 132.362 -4.659 18905 10599 1 17 . 1 1 105 105 ALA HA H 105 4.278 4.278 4.289 -0.011 18905 10600 1 17 . 1 1 105 105 ALA C C 105 172.939 172.939 175.484 -2.545 18905 10601 1 17 . 1 1 105 105 ALA CA C 105 48.936 48.936 52.349 -3.413 18905 10602 1 17 . 1 1 105 105 ALA CB C 105 17.822 17.822 17.643 0.179 18905 10603 1 17 . 1 1 105 105 ALA H H 105 8.630 8.630 9.025 -0.395 18905 10604 1 17 . 1 1 106 106 LYS N N 106 121.259 121.259 124.778 -3.519 18905 10605 1 17 . 1 1 106 106 LYS HA H 106 4.211 4.211 4.783 -0.572 18905 10606 1 17 . 1 1 106 106 LYS C C 106 174.939 174.939 176.317 -1.378 18905 10607 1 17 . 1 1 106 106 LYS CA C 106 52.995 52.995 54.643 -1.648 18905 10608 1 17 . 1 1 106 106 LYS CB C 106 30.290 30.290 35.025 -4.735 18905 10609 1 17 . 1 1 106 106 LYS H H 106 8.289 8.289 7.649 0.640 18905 10610 1 17 . 1 1 107 107 GLY N N 107 111.965 111.965 111.790 0.175 18905 10611 1 17 . 1 1 107 107 GLY C C 107 171.215 171.215 173.816 -2.601 18905 10612 1 17 . 1 1 107 107 GLY CA C 107 42.651 42.651 44.110 -1.459 18905 10613 1 17 . 1 1 107 107 GLY H H 107 8.921 8.921 8.044 0.877 18905 10614 1 17 . 1 1 108 108 SER N N 108 114.479 114.479 116.364 -1.885 18905 10615 1 17 . 1 1 108 108 SER HA H 108 4.294 4.294 4.762 -0.468 18905 10616 1 17 . 1 1 108 108 SER C C 108 172.040 172.040 173.392 -1.352 18905 10617 1 17 . 1 1 108 108 SER CA C 108 55.336 55.336 57.541 -2.205 18905 10618 1 17 . 1 1 108 108 SER H H 108 8.197 8.197 8.072 0.125 18905 10619 1 17 . 1 1 109 109 LYS N N 109 123.374 123.374 125.131 -1.757 18905 10620 1 17 . 1 1 109 109 LYS HA H 109 4.198 4.198 4.666 -0.468 18905 10621 1 17 . 1 1 109 109 LYS C C 109 173.967 173.967 175.936 -1.969 18905 10622 1 17 . 1 1 109 109 LYS CA C 109 53.730 53.730 55.832 -2.102 18905 10623 1 17 . 1 1 109 109 LYS CB C 109 30.137 30.137 34.261 -4.124 18905 10624 1 17 . 1 1 109 109 LYS H H 109 8.306 8.306 8.679 -0.373 18905 10625 1 17 . 1 1 110 110 ARG N N 110 134.189 134.189 118.221 15.968 18905 10626 1 17 . 1 1 110 110 ARG HA H 110 4.542 4.542 4.437 0.105 18905 10627 1 17 . 1 1 110 110 ARG C C 110 173.119 173.119 175.052 -1.933 18905 10628 1 17 . 1 1 110 110 ARG CA C 110 52.474 52.474 55.969 -3.495 18905 10629 1 17 . 1 1 110 110 ARG CB C 110 32.296 32.296 30.206 2.091 18905 10630 1 17 . 1 1 111 111 ASP N N 111 123.210 123.210 121.838 1.372 18905 10631 1 17 . 1 1 111 111 ASP HA H 111 4.519 4.519 4.610 -0.091 18905 10632 1 17 . 1 1 111 111 ASP C C 111 174.187 174.187 175.742 -1.555 18905 10633 1 17 . 1 1 111 111 ASP CA C 111 52.307 52.307 54.477 -2.170 18905 10634 1 17 . 1 1 111 111 ASP CB C 111 40.206 40.206 40.015 0.191 18905 10635 1 17 . 1 1 111 111 ASP H H 111 8.523 8.523 8.448 0.075 18905 10636 1 17 . 1 1 112 112 MET HA H 112 4.330 4.330 4.885 -0.555 18905 10637 1 17 . 1 1 112 112 MET CA C 112 53.074 53.074 54.893 -1.819 18905 10638 1 17 . 1 1 112 112 MET CB C 112 30.057 30.057 35.167 -5.110 18905 10639 1 17 . 1 1 113 113 ALA N N 113 124.061 124.061 124.617 -0.556 18905 10640 1 17 . 1 1 113 113 ALA HA H 113 4.229 4.229 5.068 -0.839 18905 10641 1 17 . 1 1 113 113 ALA C C 113 175.243 175.243 175.465 -0.222 18905 10642 1 17 . 1 1 113 113 ALA CA C 113 49.967 49.967 51.604 -1.637 18905 10643 1 17 . 1 1 113 113 ALA CB C 113 16.436 16.436 20.253 -3.817 18905 10644 1 17 . 1 1 113 113 ALA H H 113 8.214 8.214 8.851 -0.637 18905 10645 1 17 . 1 1 114 114 SER N N 114 114.286 114.286 115.466 -1.180 18905 10646 1 17 . 1 1 114 114 SER HA H 114 4.376 4.376 5.109 -0.733 18905 10647 1 17 . 1 1 114 114 SER CA C 114 55.596 55.596 57.728 -2.132 18905 10648 1 17 . 1 1 114 114 SER CB C 114 61.009 61.009 64.058 -3.049 18905 10649 1 17 . 1 1 114 114 SER H H 114 8.124 8.124 9.160 -1.036 18905 10650 1 17 . 1 1 119 119 ARG N N 119 122.813 122.813 125.957 -3.144 18905 10651 1 17 . 1 1 119 119 ARG HA H 119 4.294 4.294 4.543 -0.249 18905 10652 1 17 . 1 1 119 119 ARG C C 119 173.654 173.654 173.772 -0.118 18905 10653 1 17 . 1 1 119 119 ARG CA C 119 53.701 53.701 56.055 -2.354 18905 10654 1 17 . 1 1 119 119 ARG CB C 119 28.140 28.140 28.913 -0.773 18905 10655 1 17 . 1 1 119 119 ARG H H 119 8.246 8.246 8.351 -0.105 18905 10656 1 17 . 1 1 120 120 ILE N N 120 121.624 121.624 123.372 -1.748 18905 10657 1 17 . 1 1 120 120 ILE HA H 120 4.099 4.099 4.696 -0.597 18905 10658 1 17 . 1 1 120 120 ILE C C 120 173.651 173.651 175.482 -1.831 18905 10659 1 17 . 1 1 120 120 ILE CA C 120 58.593 58.593 60.370 -1.777 18905 10660 1 17 . 1 1 120 120 ILE CB C 120 36.091 36.091 41.139 -5.048 18905 10661 1 17 . 1 1 120 120 ILE H H 120 8.084 8.084 8.672 -0.588 18905 10662 1 17 . 1 1 121 121 SER N N 121 119.953 119.953 120.001 -0.048 18905 10663 1 17 . 1 1 121 121 SER HA H 121 4.378 4.378 5.192 -0.814 18905 10664 1 17 . 1 1 121 121 SER C C 121 170.780 170.780 173.223 -2.443 18905 10665 1 17 . 1 1 121 121 SER CA C 121 55.506 55.506 57.795 -2.289 18905 10666 1 17 . 1 1 121 121 SER CB C 121 61.571 61.571 65.280 -3.709 18905 10667 1 17 . 1 1 121 121 SER H H 121 8.300 8.300 8.830 -0.530 18905 10668 1 17 . 1 1 123 123 ALA N N 123 119.892 119.892 122.495 -2.603 18905 10669 1 17 . 1 1 123 123 ALA HA H 123 4.102 4.102 5.184 -1.082 18905 10670 1 17 . 1 1 123 123 ALA CA C 123 58.473 58.473 52.816 5.657 18905 10671 1 17 . 1 1 123 123 ALA H H 123 8.305 8.305 8.862 -0.557 18905 10672 1 17 . 1 1 124 124 SER N N 124 122.264 122.264 113.791 8.473 18905 10673 1 17 . 1 1 124 124 SER HA H 124 4.384 4.384 4.785 -0.401 18905 10674 1 17 . 1 1 124 124 SER CA C 124 55.632 55.632 58.208 -2.576 18905 10675 1 17 . 1 1 124 124 SER CB C 124 60.925 60.925 64.724 -3.799 18905 10676 1 17 . 1 1 124 124 SER H H 124 8.353 8.353 8.183 0.170 18905 10677 1 17 . 1 1 125 125 VAL N N 125 121.433 121.433 121.312 0.121 18905 10678 1 17 . 1 1 125 125 VAL HA H 125 4.073 4.073 4.358 -0.285 18905 10679 1 17 . 1 1 125 125 VAL C C 125 173.240 173.240 175.038 -1.798 18905 10680 1 17 . 1 1 125 125 VAL CA C 125 59.588 59.588 62.849 -3.261 18905 10681 1 17 . 1 1 125 125 VAL CB C 125 30.198 30.198 32.689 -2.491 18905 10682 1 17 . 1 1 125 125 VAL H H 125 8.014 8.014 8.453 -0.439 18905 10683 1 17 . 1 1 126 126 ALA N N 126 127.185 127.185 129.598 -2.413 18905 10684 1 17 . 1 1 126 126 ALA HA H 126 4.278 4.278 4.620 -0.342 18905 10685 1 17 . 1 1 126 126 ALA C C 126 175.118 175.118 176.756 -1.638 18905 10686 1 17 . 1 1 126 126 ALA CA C 126 49.919 49.919 52.214 -2.295 18905 10687 1 17 . 1 1 126 126 ALA CB C 126 16.532 16.532 19.862 -3.330 18905 10688 1 17 . 1 1 126 126 ALA H H 126 8.277 8.277 8.109 0.168 18905 10689 1 17 . 1 1 127 127 SER N N 127 115.148 115.148 118.308 -3.160 18905 10690 1 17 . 1 1 127 127 SER HA H 127 4.420 4.420 4.664 -0.244 18905 10691 1 17 . 1 1 127 127 SER C C 127 172.168 172.168 173.806 -1.638 18905 10692 1 17 . 1 1 127 127 SER CA C 127 55.770 55.770 58.492 -2.722 18905 10693 1 17 . 1 1 127 127 SER CB C 127 58.992 58.992 63.785 -4.793 18905 10694 1 17 . 1 1 127 127 SER H H 127 8.249 8.249 8.891 -0.642 18905 10695 1 17 . 1 1 128 128 THR N N 128 115.498 115.498 113.560 1.938 18905 10696 1 17 . 1 1 128 128 THR C C 128 171.392 171.392 173.451 -2.059 18905 10697 1 17 . 1 1 128 128 THR CA C 128 59.083 59.083 60.994 -1.911 18905 10698 1 17 . 1 1 128 128 THR H H 128 8.050 8.050 8.062 -0.012 18905 10699 1 17 . 1 1 129 129 ALA N N 129 126.543 126.543 123.669 2.874 18905 10700 1 17 . 1 1 129 129 ALA HA H 129 4.236 4.236 5.097 -0.861 18905 10701 1 17 . 1 1 129 129 ALA C C 129 174.650 174.650 175.382 -0.732 18905 10702 1 17 . 1 1 129 129 ALA CA C 129 49.794 49.794 51.473 -1.679 18905 10703 1 17 . 1 1 129 129 ALA CB C 129 16.538 16.538 20.726 -4.188 18905 10704 1 17 . 1 1 129 129 ALA H H 129 8.160 8.160 8.741 -0.581 18905 10705 1 17 . 1 1 130 130 ILE N N 130 120.371 120.371 118.302 2.069 18905 10706 1 17 . 1 1 130 130 ILE HA H 130 4.099 4.099 5.052 -0.953 18905 10707 1 17 . 1 1 130 130 ILE C C 130 173.651 173.651 175.444 -1.793 18905 10708 1 17 . 1 1 130 130 ILE CA C 130 58.513 58.513 61.019 -2.506 18905 10709 1 17 . 1 1 130 130 ILE CB C 130 36.091 36.091 40.181 -4.090 18905 10710 1 17 . 1 1 130 130 ILE H H 130 8.043 8.043 9.344 -1.301 18905 10711 1 18 . 1 1 4 4 GLY N N 4 110.117 110.117 107.884 2.233 18905 10712 1 18 . 1 1 4 4 GLY C C 4 171.413 171.413 172.952 -1.539 18905 10713 1 18 . 1 1 4 4 GLY CA C 4 42.667 42.667 44.694 -2.027 18905 10714 1 18 . 1 1 4 4 GLY H H 4 8.391 8.391 8.331 0.060 18905 10715 1 18 . 1 1 5 5 VAL N N 5 119.501 119.501 117.354 2.147 18905 10716 1 18 . 1 1 5 5 VAL HA H 5 4.018 4.018 4.355 -0.337 18905 10717 1 18 . 1 1 5 5 VAL C C 5 173.738 173.738 175.258 -1.520 18905 10718 1 18 . 1 1 5 5 VAL CA C 5 59.923 59.923 62.359 -2.436 18905 10719 1 18 . 1 1 5 5 VAL CB C 5 30.111 30.111 32.353 -2.242 18905 10720 1 18 . 1 1 5 5 VAL H H 5 7.951 7.951 8.187 -0.236 18905 10721 1 18 . 1 1 6 6 LEU N N 6 125.484 125.484 125.328 0.156 18905 10722 1 18 . 1 1 6 6 LEU HA H 6 4.280 4.280 4.852 -0.572 18905 10723 1 18 . 1 1 6 6 LEU C C 6 174.708 174.708 176.055 -1.347 18905 10724 1 18 . 1 1 6 6 LEU CA C 6 52.535 52.535 54.819 -2.284 18905 10725 1 18 . 1 1 6 6 LEU CB C 6 39.586 39.586 44.086 -4.500 18905 10726 1 18 . 1 1 6 6 LEU H H 6 8.248 8.248 8.156 0.092 18905 10727 1 18 . 1 1 7 7 ALA N N 7 124.939 124.939 123.782 1.157 18905 10728 1 18 . 1 1 7 7 ALA HA H 7 4.234 4.234 4.717 -0.483 18905 10729 1 18 . 1 1 7 7 ALA C C 7 174.865 174.865 175.693 -0.828 18905 10730 1 18 . 1 1 7 7 ALA CA C 7 50.136 50.136 51.689 -1.553 18905 10731 1 18 . 1 1 7 7 ALA CB C 7 16.500 16.500 20.508 -4.008 18905 10732 1 18 . 1 1 7 7 ALA H H 7 8.241 8.241 8.441 -0.200 18905 10733 1 18 . 1 1 8 8 SER N N 8 117.901 117.901 115.485 2.416 18905 10734 1 18 . 1 1 8 8 SER HA H 8 4.377 4.377 4.634 -0.257 18905 10735 1 18 . 1 1 8 8 SER C C 8 172.221 172.221 174.270 -2.049 18905 10736 1 18 . 1 1 8 8 SER CA C 8 56.008 56.008 57.905 -1.897 18905 10737 1 18 . 1 1 8 8 SER CB C 8 61.008 61.008 63.780 -2.772 18905 10738 1 18 . 1 1 8 8 SER H H 8 8.347 8.347 8.246 0.101 18905 10739 1 18 . 1 1 9 9 GLN N N 9 122.019 122.019 124.563 -2.544 18905 10740 1 18 . 1 1 9 9 GLN HA H 9 4.302 4.302 4.465 -0.163 18905 10741 1 18 . 1 1 9 9 GLN C C 9 173.160 173.160 174.426 -1.266 18905 10742 1 18 . 1 1 9 9 GLN CA C 9 53.470 53.470 55.885 -2.415 18905 10743 1 18 . 1 1 9 9 GLN CB C 9 26.663 26.663 29.441 -2.778 18905 10744 1 18 . 1 1 9 9 GLN H H 9 8.240 8.240 8.681 -0.441 18905 10745 1 18 . 1 1 10 10 ALA N N 10 124.490 124.490 126.088 -1.598 18905 10746 1 18 . 1 1 10 10 ALA HA H 10 4.238 4.238 4.717 -0.479 18905 10747 1 18 . 1 1 10 10 ALA C C 10 175.142 175.142 176.405 -1.263 18905 10748 1 18 . 1 1 10 10 ALA CA C 10 50.121 50.121 52.408 -2.287 18905 10749 1 18 . 1 1 10 10 ALA CB C 10 16.322 16.322 19.350 -3.028 18905 10750 1 18 . 1 1 10 10 ALA H H 10 8.132 8.132 8.492 -0.360 18905 10751 1 18 . 1 1 11 11 LEU N N 11 120.785 120.785 120.811 -0.026 18905 10752 1 18 . 1 1 11 11 LEU HA H 11 4.278 4.278 4.990 -0.712 18905 10753 1 18 . 1 1 11 11 LEU C C 11 174.929 174.929 176.190 -1.261 18905 10754 1 18 . 1 1 11 11 LEU CA C 11 52.612 52.612 54.307 -1.695 18905 10755 1 18 . 1 1 11 11 LEU CB C 11 39.647 39.647 43.681 -4.034 18905 10756 1 18 . 1 1 11 11 LEU H H 11 8.088 8.088 8.215 -0.127 18905 10757 1 18 . 1 1 12 12 SER N N 12 116.121 116.121 116.573 -0.452 18905 10758 1 18 . 1 1 12 12 SER C C 12 171.977 171.977 172.903 -0.926 18905 10759 1 18 . 1 1 12 12 SER CA C 12 55.621 55.621 58.297 -2.676 18905 10760 1 18 . 1 1 12 12 SER CB C 12 56.041 56.041 64.103 -8.062 18905 10761 1 18 . 1 1 12 12 SER H H 12 8.170 8.170 8.967 -0.797 18905 10762 1 18 . 1 1 13 13 GLN N N 13 122.139 122.139 122.179 -0.040 18905 10763 1 18 . 1 1 13 13 GLN HA H 13 4.312 4.312 4.994 -0.682 18905 10764 1 18 . 1 1 13 13 GLN CA C 13 54.059 54.059 54.555 -0.496 18905 10765 1 18 . 1 1 13 13 GLN H H 13 8.368 8.368 8.769 -0.401 18905 10766 1 18 . 1 1 14 14 GLY N N 14 109.259 109.259 108.849 0.410 18905 10767 1 18 . 1 1 14 14 GLY CA C 14 42.970 42.970 44.998 -2.027 18905 10768 1 18 . 1 1 14 14 GLY H H 14 8.378 8.378 8.376 0.002 18905 10769 1 18 . 1 1 15 15 SER N N 15 115.486 115.486 113.954 1.532 18905 10770 1 18 . 1 1 15 15 SER HA H 15 4.378 4.378 4.652 -0.274 18905 10771 1 18 . 1 1 15 15 SER CA C 15 55.853 55.853 57.608 -1.755 18905 10772 1 18 . 1 1 15 15 SER CB C 15 59.406 59.406 64.108 -4.702 18905 10773 1 18 . 1 1 15 15 SER H H 15 8.085 8.085 8.077 0.008 18905 10774 1 18 . 1 1 16 16 GLU N N 16 120.501 120.501 122.872 -2.371 18905 10775 1 18 . 1 1 16 16 GLU HA H 16 4.664 4.664 4.687 -0.023 18905 10776 1 18 . 1 1 16 16 GLU CA C 16 50.628 50.628 54.163 -3.535 18905 10777 1 18 . 1 1 16 16 GLU CB C 16 36.442 36.442 29.429 7.013 18905 10778 1 18 . 1 1 16 16 GLU H H 16 8.376 8.376 8.472 -0.096 18905 10779 1 18 . 1 1 17 17 PRO CA C 17 65.700 65.700 63.085 2.615 18905 10780 1 18 . 1 1 22 22 ALA N N 22 124.130 124.130 122.762 1.368 18905 10781 1 18 . 1 1 22 22 ALA HA H 22 4.178 4.178 4.860 -0.682 18905 10782 1 18 . 1 1 22 22 ALA CA C 22 49.746 49.746 51.090 -1.344 18905 10783 1 18 . 1 1 22 22 ALA CB C 22 16.789 16.789 20.475 -3.686 18905 10784 1 18 . 1 1 22 22 ALA H H 22 8.096 8.096 8.512 -0.416 18905 10785 1 18 . 1 1 23 23 ASN N N 23 117.516 117.516 120.678 -3.162 18905 10786 1 18 . 1 1 23 23 ASN HA H 23 4.672 4.672 4.835 -0.163 18905 10787 1 18 . 1 1 23 23 ASN C C 23 171.179 171.179 172.701 -1.522 18905 10788 1 18 . 1 1 23 23 ASN CA C 23 50.084 50.084 51.622 -1.538 18905 10789 1 18 . 1 1 23 23 ASN CB C 23 36.737 36.737 41.123 -4.386 18905 10790 1 18 . 1 1 23 23 ASN H H 23 8.037 8.037 8.207 -0.170 18905 10791 1 18 . 1 1 24 24 ASP N N 24 118.387 118.387 118.599 -0.212 18905 10792 1 18 . 1 1 24 24 ASP HA H 24 4.676 4.676 4.927 -0.251 18905 10793 1 18 . 1 1 24 24 ASP CA C 24 50.660 50.660 53.582 -2.922 18905 10794 1 18 . 1 1 24 24 ASP CB C 24 40.670 40.670 42.822 -2.152 18905 10795 1 18 . 1 1 24 24 ASP H H 24 8.198 8.198 8.422 -0.224 18905 10796 1 18 . 1 1 25 25 THR N N 25 114.224 114.224 115.889 -1.665 18905 10797 1 18 . 1 1 25 25 THR HA H 25 5.275 5.275 4.638 0.637 18905 10798 1 18 . 1 1 25 25 THR CA C 25 59.162 59.162 61.915 -2.753 18905 10799 1 18 . 1 1 25 25 THR CB C 25 68.849 68.849 71.977 -3.128 18905 10800 1 18 . 1 1 25 25 THR H H 25 8.090 8.090 8.350 -0.260 18905 10801 1 18 . 1 1 26 26 ILE N N 26 126.637 126.637 124.521 2.116 18905 10802 1 18 . 1 1 26 26 ILE HA H 26 4.650 4.650 4.568 0.082 18905 10803 1 18 . 1 1 26 26 ILE C C 26 171.500 171.500 174.239 -2.739 18905 10804 1 18 . 1 1 26 26 ILE CA C 26 56.930 56.930 59.189 -2.259 18905 10805 1 18 . 1 1 26 26 ILE CB C 26 38.159 38.159 39.397 -1.238 18905 10806 1 18 . 1 1 26 26 ILE H H 26 9.314 9.314 8.749 0.565 18905 10807 1 18 . 1 1 27 27 ILE N N 27 126.764 126.764 123.158 3.606 18905 10808 1 18 . 1 1 27 27 ILE HA H 27 4.955 4.955 4.994 -0.039 18905 10809 1 18 . 1 1 27 27 ILE C C 27 171.462 171.462 174.107 -2.645 18905 10810 1 18 . 1 1 27 27 ILE CA C 27 56.909 56.909 58.858 -1.949 18905 10811 1 18 . 1 1 27 27 ILE CB C 27 38.397 38.397 42.724 -4.327 18905 10812 1 18 . 1 1 27 27 ILE H H 27 9.280 9.280 7.889 1.391 18905 10813 1 18 . 1 1 28 28 LEU N N 28 125.666 125.666 121.238 4.428 18905 10814 1 18 . 1 1 28 28 LEU HA H 28 4.858 4.858 4.784 0.074 18905 10815 1 18 . 1 1 28 28 LEU C C 28 172.714 172.714 175.923 -3.209 18905 10816 1 18 . 1 1 28 28 LEU CA C 28 50.153 50.153 53.232 -3.079 18905 10817 1 18 . 1 1 28 28 LEU CB C 28 39.943 39.943 44.687 -4.744 18905 10818 1 18 . 1 1 28 28 LEU H H 28 8.791 8.791 8.476 0.315 18905 10819 1 18 . 1 1 29 29 ARG N N 29 119.656 119.656 119.111 0.545 18905 10820 1 18 . 1 1 29 29 ARG HA H 29 5.023 5.023 4.940 0.083 18905 10821 1 18 . 1 1 29 29 ARG C C 29 172.927 172.927 175.956 -3.029 18905 10822 1 18 . 1 1 29 29 ARG CA C 29 51.933 51.933 54.540 -2.607 18905 10823 1 18 . 1 1 29 29 ARG CB C 29 31.298 31.298 33.540 -2.242 18905 10824 1 18 . 1 1 29 29 ARG H H 29 8.742 8.742 8.625 0.117 18905 10825 1 18 . 1 1 30 30 ASN N N 30 115.104 115.104 117.725 -2.621 18905 10826 1 18 . 1 1 30 30 ASN HA H 30 4.319 4.319 4.379 -0.060 18905 10827 1 18 . 1 1 30 30 ASN C C 30 172.025 172.025 173.678 -1.653 18905 10828 1 18 . 1 1 30 30 ASN CA C 30 51.550 51.550 53.991 -2.441 18905 10829 1 18 . 1 1 30 30 ASN CB C 30 35.656 35.656 37.664 -2.008 18905 10830 1 18 . 1 1 30 30 ASN H H 30 8.292 8.292 8.816 -0.524 18905 10831 1 18 . 1 1 31 31 LEU N N 31 113.394 113.394 118.232 -4.838 18905 10832 1 18 . 1 1 31 31 LEU HA H 31 3.915 3.915 4.594 -0.679 18905 10833 1 18 . 1 1 31 31 LEU C C 31 175.815 175.815 175.156 0.659 18905 10834 1 18 . 1 1 31 31 LEU CA C 31 52.148 52.148 53.676 -1.528 18905 10835 1 18 . 1 1 31 31 LEU CB C 31 39.876 39.876 45.227 -5.351 18905 10836 1 18 . 1 1 31 31 LEU H H 31 7.602 7.602 7.337 0.265 18905 10837 1 18 . 1 1 32 32 ASN N N 32 123.357 123.357 118.867 4.490 18905 10838 1 18 . 1 1 32 32 ASN HA H 32 4.476 4.476 4.997 -0.521 18905 10839 1 18 . 1 1 32 32 ASN CA C 32 48.784 48.784 50.575 -1.791 18905 10840 1 18 . 1 1 32 32 ASN CB C 32 36.284 36.284 38.414 -2.130 18905 10841 1 18 . 1 1 32 32 ASN H H 32 9.816 9.816 8.105 1.711 18905 10842 1 18 . 1 1 33 33 PRO HA H 33 4.339 4.339 4.205 0.134 18905 10843 1 18 . 1 1 33 33 PRO CA C 33 61.514 61.514 65.132 -3.618 18905 10844 1 18 . 1 1 33 33 PRO CB C 33 30.320 30.320 31.623 -1.303 18905 10845 1 18 . 1 1 34 34 HIS N N 34 111.187 111.187 112.828 -1.641 18905 10846 1 18 . 1 1 34 34 HIS HA H 34 4.402 4.402 4.793 -0.391 18905 10847 1 18 . 1 1 34 34 HIS CA C 34 53.125 53.125 55.117 -1.992 18905 10848 1 18 . 1 1 34 34 HIS CB C 34 25.760 25.760 30.505 -4.745 18905 10849 1 18 . 1 1 34 34 HIS H H 34 8.856 8.856 8.393 0.463 18905 10850 1 18 . 1 1 35 35 SER N N 35 118.219 118.219 116.889 1.330 18905 10851 1 18 . 1 1 35 35 SER HA H 35 4.718 4.718 4.407 0.311 18905 10852 1 18 . 1 1 35 35 SER CB C 35 60.222 60.222 63.603 -3.381 18905 10853 1 18 . 1 1 35 35 SER H H 35 8.262 8.262 7.801 0.461 18905 10854 1 18 . 1 1 36 36 THR N N 36 114.157 114.157 114.959 -0.802 18905 10855 1 18 . 1 1 36 36 THR HA H 36 4.545 4.545 4.727 -0.182 18905 10856 1 18 . 1 1 36 36 THR CA C 36 56.508 56.508 59.885 -3.377 18905 10857 1 18 . 1 1 36 36 THR CB C 36 70.051 70.051 71.124 -1.072 18905 10858 1 18 . 1 1 36 36 THR H H 36 8.451 8.451 7.917 0.534 18905 10859 1 18 . 1 1 37 37 MET N N 37 119.815 119.815 120.105 -0.290 18905 10860 1 18 . 1 1 37 37 MET HA H 37 3.943 3.943 4.396 -0.453 18905 10861 1 18 . 1 1 37 37 MET CA C 37 56.204 56.204 58.411 -2.207 18905 10862 1 18 . 1 1 37 37 MET CB C 37 28.959 28.959 32.170 -3.211 18905 10863 1 18 . 1 1 37 37 MET H H 37 8.928 8.928 8.911 0.017 18905 10864 1 18 . 1 1 38 38 ASP N N 38 115.357 115.357 120.457 -5.100 18905 10865 1 18 . 1 1 38 38 ASP HA H 38 4.301 4.301 4.365 -0.064 18905 10866 1 18 . 1 1 38 38 ASP CA C 38 54.750 54.750 58.083 -3.333 18905 10867 1 18 . 1 1 38 38 ASP CB C 38 37.934 37.934 40.050 -2.116 18905 10868 1 18 . 1 1 38 38 ASP H H 38 8.096 8.096 8.808 -0.712 18905 10869 1 18 . 1 1 39 39 SER N N 39 118.933 118.933 116.530 2.403 18905 10870 1 18 . 1 1 39 39 SER HA H 39 4.253 4.253 4.099 0.154 18905 10871 1 18 . 1 1 39 39 SER C C 39 174.818 174.818 176.420 -1.602 18905 10872 1 18 . 1 1 39 39 SER CA C 39 58.767 58.767 61.979 -3.212 18905 10873 1 18 . 1 1 39 39 SER CB C 39 61.631 61.631 62.766 -1.135 18905 10874 1 18 . 1 1 39 39 SER H H 39 8.088 8.088 7.829 0.259 18905 10875 1 18 . 1 1 40 40 ILE N N 40 124.376 124.376 123.073 1.303 18905 10876 1 18 . 1 1 40 40 ILE HA H 40 3.538 3.538 3.803 -0.265 18905 10877 1 18 . 1 1 40 40 ILE C C 40 174.358 174.358 178.002 -3.644 18905 10878 1 18 . 1 1 40 40 ILE CA C 40 62.936 62.936 64.600 -1.664 18905 10879 1 18 . 1 1 40 40 ILE CB C 40 35.725 35.725 37.914 -2.189 18905 10880 1 18 . 1 1 40 40 ILE H H 40 8.009 8.009 7.411 0.598 18905 10881 1 18 . 1 1 41 41 LEU N N 41 117.914 117.914 119.687 -1.773 18905 10882 1 18 . 1 1 41 41 LEU HA H 41 3.818 3.818 3.937 -0.119 18905 10883 1 18 . 1 1 41 41 LEU C C 41 178.292 178.292 179.510 -1.218 18905 10884 1 18 . 1 1 41 41 LEU CA C 41 55.496 55.496 57.869 -2.373 18905 10885 1 18 . 1 1 41 41 LEU CB C 41 38.574 38.574 41.587 -3.013 18905 10886 1 18 . 1 1 41 41 LEU H H 41 8.574 8.574 8.338 0.236 18905 10887 1 18 . 1 1 42 42 GLY N N 42 105.053 105.053 105.628 -0.575 18905 10888 1 18 . 1 1 42 42 GLY C C 42 173.318 173.318 175.078 -1.760 18905 10889 1 18 . 1 1 42 42 GLY CA C 42 44.283 44.283 45.934 -1.651 18905 10890 1 18 . 1 1 42 42 GLY H H 42 8.207 8.207 8.046 0.161 18905 10891 1 18 . 1 1 43 43 ALA N N 43 122.411 122.411 124.324 -1.913 18905 10892 1 18 . 1 1 43 43 ALA HA H 43 4.245 4.245 4.222 0.023 18905 10893 1 18 . 1 1 43 43 ALA C C 43 176.200 176.200 178.519 -2.319 18905 10894 1 18 . 1 1 43 43 ALA CA C 43 51.148 51.148 54.253 -3.105 18905 10895 1 18 . 1 1 43 43 ALA CB C 43 17.381 17.381 18.821 -1.440 18905 10896 1 18 . 1 1 43 43 ALA H H 43 7.571 7.571 7.647 -0.076 18905 10897 1 18 . 1 1 44 44 LEU N N 44 113.121 113.121 116.363 -3.242 18905 10898 1 18 . 1 1 44 44 LEU HA H 44 4.514 4.514 4.637 -0.123 18905 10899 1 18 . 1 1 44 44 LEU C C 44 174.187 174.187 178.948 -4.761 18905 10900 1 18 . 1 1 44 44 LEU CA C 44 52.247 52.247 55.016 -2.769 18905 10901 1 18 . 1 1 44 44 LEU CB C 44 40.210 40.210 42.147 -1.937 18905 10902 1 18 . 1 1 44 44 LEU H H 44 7.533 7.533 7.955 -0.422 18905 10903 1 18 . 1 1 45 45 ALA N N 45 123.574 123.574 124.491 -0.917 18905 10904 1 18 . 1 1 45 45 ALA HA H 45 4.313 4.313 4.052 0.261 18905 10905 1 18 . 1 1 45 45 ALA CA C 45 53.187 53.187 56.378 -3.191 18905 10906 1 18 . 1 1 45 45 ALA CB C 45 14.134 14.134 15.936 -1.802 18905 10907 1 18 . 1 1 45 45 ALA H H 45 7.398 7.398 7.848 -0.450 18905 10908 1 18 . 1 1 46 46 PRO HA H 46 4.043 4.043 4.203 -0.160 18905 10909 1 18 . 1 1 46 46 PRO CA C 46 61.784 61.784 64.212 -2.428 18905 10910 1 18 . 1 1 46 46 PRO CB C 46 27.999 27.999 31.195 -3.196 18905 10911 1 18 . 1 1 47 47 TYR N N 47 114.404 114.404 117.772 -3.368 18905 10912 1 18 . 1 1 47 47 TYR HA H 47 4.527 4.527 4.741 -0.214 18905 10913 1 18 . 1 1 47 47 TYR CA C 47 54.406 54.406 56.179 -1.773 18905 10914 1 18 . 1 1 47 47 TYR CB C 47 37.537 37.537 38.456 -0.919 18905 10915 1 18 . 1 1 47 47 TYR H H 47 7.897 7.897 7.445 0.452 18905 10916 1 18 . 1 1 48 48 ALA N N 48 119.845 119.845 119.967 -0.122 18905 10917 1 18 . 1 1 48 48 ALA HA H 48 4.360 4.360 4.663 -0.303 18905 10918 1 18 . 1 1 48 48 ALA C C 48 171.938 171.938 175.324 -3.386 18905 10919 1 18 . 1 1 48 48 ALA CA C 48 49.129 49.129 51.198 -2.069 18905 10920 1 18 . 1 1 48 48 ALA CB C 48 19.614 19.614 21.368 -1.754 18905 10921 1 18 . 1 1 48 48 ALA H H 48 8.083 8.083 7.266 0.817 18905 10922 1 18 . 1 1 49 49 VAL N N 49 122.528 122.528 120.572 1.956 18905 10923 1 18 . 1 1 49 49 VAL HA H 49 3.904 3.904 4.431 -0.527 18905 10924 1 18 . 1 1 49 49 VAL C C 49 172.490 172.490 174.642 -2.152 18905 10925 1 18 . 1 1 49 49 VAL CA C 49 60.373 60.373 62.254 -1.881 18905 10926 1 18 . 1 1 49 49 VAL CB C 49 28.257 28.257 31.113 -2.856 18905 10927 1 18 . 1 1 49 49 VAL H H 49 8.414 8.414 8.529 -0.115 18905 10928 1 18 . 1 1 50 50 LEU N N 50 127.924 127.924 122.056 5.868 18905 10929 1 18 . 1 1 50 50 LEU HA H 50 4.650 4.650 4.868 -0.218 18905 10930 1 18 . 1 1 50 50 LEU C C 50 172.488 172.488 174.727 -2.239 18905 10931 1 18 . 1 1 50 50 LEU CA C 50 50.523 50.523 54.333 -3.810 18905 10932 1 18 . 1 1 50 50 LEU CB C 50 42.647 42.647 43.872 -1.225 18905 10933 1 18 . 1 1 50 50 LEU H H 50 7.904 7.904 7.619 0.285 18905 10934 1 18 . 1 1 51 51 SER N N 51 114.999 114.999 113.081 1.918 18905 10935 1 18 . 1 1 51 51 SER HA H 51 4.783 4.783 4.964 -0.181 18905 10936 1 18 . 1 1 51 51 SER C C 51 172.827 172.827 174.403 -1.576 18905 10937 1 18 . 1 1 51 51 SER CA C 51 53.708 53.708 57.049 -3.341 18905 10938 1 18 . 1 1 51 51 SER CB C 51 63.424 63.424 65.386 -1.962 18905 10939 1 18 . 1 1 51 51 SER H H 51 8.623 8.623 8.881 -0.258 18905 10940 1 18 . 1 1 52 52 SER N N 52 118.355 118.355 116.482 1.873 18905 10941 1 18 . 1 1 52 52 SER HA H 52 4.301 4.301 4.306 -0.005 18905 10942 1 18 . 1 1 52 52 SER C C 52 173.242 173.242 175.952 -2.710 18905 10943 1 18 . 1 1 52 52 SER CA C 52 58.709 58.709 60.874 -2.165 18905 10944 1 18 . 1 1 52 52 SER CB C 52 59.826 59.826 63.044 -3.218 18905 10945 1 18 . 1 1 52 52 SER H H 52 9.117 9.117 8.714 0.403 18905 10946 1 18 . 1 1 53 53 SER N N 53 114.926 114.926 117.310 -2.384 18905 10947 1 18 . 1 1 53 53 SER HA H 53 4.292 4.292 4.374 -0.082 18905 10948 1 18 . 1 1 53 53 SER CA C 53 57.882 57.882 60.719 -2.837 18905 10949 1 18 . 1 1 53 53 SER CB C 53 60.220 60.220 63.341 -3.121 18905 10950 1 18 . 1 1 53 53 SER H H 53 8.014 8.014 8.206 -0.192 18905 10951 1 18 . 1 1 54 54 ASN N N 54 116.432 116.432 119.881 -3.449 18905 10952 1 18 . 1 1 54 54 ASN HA H 54 4.914 4.914 4.736 0.178 18905 10953 1 18 . 1 1 54 54 ASN C C 54 170.744 170.744 175.675 -4.931 18905 10954 1 18 . 1 1 54 54 ASN CA C 54 52.054 52.054 55.739 -3.685 18905 10955 1 18 . 1 1 54 54 ASN CB C 54 38.952 38.952 38.959 -0.007 18905 10956 1 18 . 1 1 54 54 ASN H H 54 7.996 7.996 7.782 0.214 18905 10957 1 18 . 1 1 55 55 VAL N N 55 118.877 118.877 120.536 -1.659 18905 10958 1 18 . 1 1 55 55 VAL HA H 55 4.891 4.891 4.301 0.590 18905 10959 1 18 . 1 1 55 55 VAL C C 55 171.238 171.238 175.723 -4.485 18905 10960 1 18 . 1 1 55 55 VAL CA C 55 58.709 58.709 62.887 -4.178 18905 10961 1 18 . 1 1 55 55 VAL CB C 55 31.652 31.652 32.525 -0.873 18905 10962 1 18 . 1 1 55 55 VAL H H 55 7.421 7.421 7.302 0.119 18905 10963 1 18 . 1 1 56 56 ARG N N 56 125.757 125.757 129.153 -3.396 18905 10964 1 18 . 1 1 56 56 ARG HA H 56 4.708 4.708 4.630 0.078 18905 10965 1 18 . 1 1 56 56 ARG C C 56 172.321 172.321 174.049 -1.728 18905 10966 1 18 . 1 1 56 56 ARG CA C 56 51.878 51.878 54.922 -3.044 18905 10967 1 18 . 1 1 56 56 ARG CB C 56 30.211 30.211 33.170 -2.959 18905 10968 1 18 . 1 1 56 56 ARG H H 56 9.011 9.011 9.001 0.010 18905 10969 1 18 . 1 1 57 57 VAL N N 57 125.646 125.646 127.881 -2.235 18905 10970 1 18 . 1 1 57 57 VAL HA H 57 3.878 3.878 4.126 -0.248 18905 10971 1 18 . 1 1 57 57 VAL C C 57 172.129 172.129 174.113 -1.984 18905 10972 1 18 . 1 1 57 57 VAL CA C 57 59.043 59.043 60.277 -1.234 18905 10973 1 18 . 1 1 57 57 VAL CB C 57 30.019 30.019 33.297 -3.278 18905 10974 1 18 . 1 1 57 57 VAL H H 57 8.794 8.794 8.614 0.180 18905 10975 1 18 . 1 1 58 58 ILE N N 58 127.547 127.547 129.618 -2.071 18905 10976 1 18 . 1 1 58 58 ILE HA H 58 4.049 4.049 4.074 -0.025 18905 10977 1 18 . 1 1 58 58 ILE C C 58 172.672 172.672 175.818 -3.146 18905 10978 1 18 . 1 1 58 58 ILE CA C 58 57.246 57.246 60.612 -3.366 18905 10979 1 18 . 1 1 58 58 ILE CB C 58 32.839 32.839 37.669 -4.830 18905 10980 1 18 . 1 1 58 58 ILE H H 58 7.259 7.259 7.884 -0.625 18905 10981 1 18 . 1 1 59 59 LYS N N 59 127.231 127.231 122.061 5.170 18905 10982 1 18 . 1 1 59 59 LYS HA H 59 4.532 4.532 4.608 -0.076 18905 10983 1 18 . 1 1 59 59 LYS C C 59 173.119 173.119 175.501 -2.382 18905 10984 1 18 . 1 1 59 59 LYS CA C 59 52.444 52.444 54.789 -2.345 18905 10985 1 18 . 1 1 59 59 LYS CB C 59 32.374 32.374 34.757 -2.383 18905 10986 1 18 . 1 1 59 59 LYS H H 59 8.571 8.571 7.936 0.635 18905 10987 1 18 . 1 1 60 60 ASP N N 60 123.232 123.232 120.148 3.084 18905 10988 1 18 . 1 1 60 60 ASP HA H 60 4.496 4.496 4.594 -0.098 18905 10989 1 18 . 1 1 60 60 ASP C C 60 174.118 174.118 176.989 -2.871 18905 10990 1 18 . 1 1 60 60 ASP CA C 60 50.786 50.786 54.814 -4.028 18905 10991 1 18 . 1 1 60 60 ASP CB C 60 40.058 40.058 42.231 -2.173 18905 10992 1 18 . 1 1 60 60 ASP H H 60 8.527 8.527 8.527 0.000 18905 10993 1 18 . 1 1 61 61 LYS N N 61 125.977 125.977 119.385 6.592 18905 10994 1 18 . 1 1 61 61 LYS HA H 61 3.918 3.918 4.354 -0.436 18905 10995 1 18 . 1 1 61 61 LYS C C 61 174.696 174.696 177.730 -3.034 18905 10996 1 18 . 1 1 61 61 LYS CA C 61 56.017 56.017 57.986 -1.969 18905 10997 1 18 . 1 1 61 61 LYS CB C 61 29.813 29.813 32.975 -3.162 18905 10998 1 18 . 1 1 61 61 LYS H H 61 8.770 8.770 8.429 0.341 18905 10999 1 18 . 1 1 62 62 GLN N N 62 116.732 116.732 117.999 -1.267 18905 11000 1 18 . 1 1 62 62 GLN HA H 62 4.252 4.252 4.217 0.035 18905 11001 1 18 . 1 1 62 62 GLN C C 62 174.793 174.793 176.780 -1.987 18905 11002 1 18 . 1 1 62 62 GLN CA C 62 55.001 55.001 57.589 -2.588 18905 11003 1 18 . 1 1 62 62 GLN CB C 62 26.516 26.516 29.573 -3.057 18905 11004 1 18 . 1 1 62 62 GLN H H 62 8.538 8.538 8.516 0.022 18905 11005 1 18 . 1 1 63 63 THR N N 63 108.519 108.519 111.900 -3.381 18905 11006 1 18 . 1 1 63 63 THR HA H 63 4.265 4.265 4.546 -0.281 18905 11007 1 18 . 1 1 63 63 THR CA C 63 59.302 59.302 59.722 -0.420 18905 11008 1 18 . 1 1 63 63 THR CB C 63 67.891 67.891 69.888 -1.997 18905 11009 1 18 . 1 1 63 63 THR H H 63 7.882 7.882 8.052 -0.170 18905 11010 1 18 . 1 1 64 64 GLN N N 64 113.890 113.890 119.556 -5.666 18905 11011 1 18 . 1 1 64 64 GLN HA H 64 3.829 3.829 4.666 -0.837 18905 11012 1 18 . 1 1 64 64 GLN C C 64 172.129 172.129 175.204 -3.075 18905 11013 1 18 . 1 1 64 64 GLN CA C 64 54.560 54.560 54.826 -0.266 18905 11014 1 18 . 1 1 64 64 GLN CB C 64 23.812 23.812 28.588 -4.776 18905 11015 1 18 . 1 1 64 64 GLN H H 64 8.188 8.188 8.500 -0.312 18905 11016 1 18 . 1 1 65 65 LEU N N 65 119.516 119.516 119.814 -0.298 18905 11017 1 18 . 1 1 65 65 LEU HA H 65 4.463 4.463 4.570 -0.107 18905 11018 1 18 . 1 1 65 65 LEU C C 65 174.174 174.174 176.400 -2.226 18905 11019 1 18 . 1 1 65 65 LEU CA C 65 51.024 51.024 53.552 -2.528 18905 11020 1 18 . 1 1 65 65 LEU CB C 65 39.608 39.608 43.492 -3.884 18905 11021 1 18 . 1 1 65 65 LEU H H 65 7.682 7.682 7.388 0.294 18905 11022 1 18 . 1 1 66 66 ASN N N 66 117.776 117.776 117.765 0.011 18905 11023 1 18 . 1 1 66 66 ASN HA H 66 4.958 4.958 4.811 0.147 18905 11024 1 18 . 1 1 66 66 ASN C C 66 171.913 171.913 176.645 -4.732 18905 11025 1 18 . 1 1 66 66 ASN CA C 66 50.440 50.440 54.034 -3.594 18905 11026 1 18 . 1 1 66 66 ASN CB C 66 36.771 36.771 39.145 -2.374 18905 11027 1 18 . 1 1 66 66 ASN H H 66 8.771 8.771 8.143 0.628 18905 11028 1 18 . 1 1 67 67 ARG N N 67 117.508 117.508 122.388 -4.880 18905 11029 1 18 . 1 1 67 67 ARG HA H 67 4.193 4.193 4.448 -0.255 18905 11030 1 18 . 1 1 67 67 ARG CA C 67 53.615 53.615 56.512 -2.897 18905 11031 1 18 . 1 1 67 67 ARG CB C 67 28.137 28.137 30.105 -1.968 18905 11032 1 18 . 1 1 67 67 ARG H H 67 8.313 8.313 8.587 -0.274 18905 11033 1 18 . 1 1 68 68 GLY N N 68 107.904 107.904 107.311 0.593 18905 11034 1 18 . 1 1 68 68 GLY CA C 68 42.842 42.842 45.317 -2.475 18905 11035 1 18 . 1 1 68 68 GLY H H 68 9.437 9.437 8.654 0.783 18905 11036 1 18 . 1 1 69 69 PHE N N 69 113.804 113.804 115.165 -1.361 18905 11037 1 18 . 1 1 69 69 PHE HA H 69 5.754 5.754 5.292 0.462 18905 11038 1 18 . 1 1 69 69 PHE C C 69 170.151 170.151 172.771 -2.620 18905 11039 1 18 . 1 1 69 69 PHE CA C 69 51.625 51.625 54.590 -2.966 18905 11040 1 18 . 1 1 69 69 PHE CB C 69 39.587 39.587 41.281 -1.694 18905 11041 1 18 . 1 1 69 69 PHE H H 69 6.750 6.750 7.531 -0.781 18905 11042 1 18 . 1 1 70 70 ALA N N 70 118.965 118.965 119.042 -0.077 18905 11043 1 18 . 1 1 70 70 ALA HA H 70 4.807 4.807 4.067 0.740 18905 11044 1 18 . 1 1 70 70 ALA C C 70 171.693 171.693 174.484 -2.791 18905 11045 1 18 . 1 1 70 70 ALA CA C 70 47.155 47.155 50.913 -3.758 18905 11046 1 18 . 1 1 70 70 ALA CB C 70 21.153 21.153 21.945 -0.792 18905 11047 1 18 . 1 1 70 70 ALA H H 70 8.526 8.526 7.654 0.872 18905 11048 1 18 . 1 1 71 71 PHE N N 71 117.469 117.469 117.069 0.400 18905 11049 1 18 . 1 1 71 71 PHE HA H 71 5.537 5.537 5.380 0.157 18905 11050 1 18 . 1 1 71 71 PHE C C 71 172.630 172.630 174.009 -1.379 18905 11051 1 18 . 1 1 71 71 PHE CA C 71 52.609 52.609 56.160 -3.551 18905 11052 1 18 . 1 1 71 71 PHE CB C 71 39.675 39.675 44.225 -4.550 18905 11053 1 18 . 1 1 71 71 PHE H H 71 8.824 8.824 8.576 0.248 18905 11054 1 18 . 1 1 72 72 ILE N N 72 122.867 122.867 120.248 2.619 18905 11055 1 18 . 1 1 72 72 ILE HA H 72 5.022 5.022 4.831 0.191 18905 11056 1 18 . 1 1 72 72 ILE CA C 72 56.881 56.881 60.165 -3.284 18905 11057 1 18 . 1 1 72 72 ILE CB C 72 37.031 37.031 41.963 -4.932 18905 11058 1 18 . 1 1 72 72 ILE H H 72 9.555 9.555 9.269 0.286 18905 11059 1 18 . 1 1 73 73 GLN N N 73 128.422 128.422 127.318 1.104 18905 11060 1 18 . 1 1 73 73 GLN HA H 73 5.170 5.170 4.421 0.749 18905 11061 1 18 . 1 1 73 73 GLN CA C 73 52.252 52.252 55.836 -3.584 18905 11062 1 18 . 1 1 73 73 GLN CB C 73 28.291 28.291 29.013 -0.722 18905 11063 1 18 . 1 1 73 73 GLN H H 73 8.964 8.964 8.093 0.871 18905 11064 1 18 . 1 1 74 74 LEU N N 74 126.707 126.707 124.541 2.166 18905 11065 1 18 . 1 1 74 74 LEU HA H 74 4.789 4.789 4.640 0.149 18905 11066 1 18 . 1 1 74 74 LEU CA C 74 50.617 50.617 52.871 -2.254 18905 11067 1 18 . 1 1 74 74 LEU CB C 74 44.885 44.885 46.069 -1.183 18905 11068 1 18 . 1 1 74 74 LEU H H 74 8.420 8.420 8.402 0.018 18905 11069 1 18 . 1 1 75 75 SER HA H 75 4.284 4.284 4.586 -0.302 18905 11070 1 18 . 1 1 75 75 SER CA C 75 55.390 55.390 57.952 -2.562 18905 11071 1 18 . 1 1 75 75 SER CB C 75 61.275 61.275 64.643 -3.368 18905 11072 1 18 . 1 1 76 76 THR N N 76 116.193 116.193 116.339 -0.146 18905 11073 1 18 . 1 1 76 76 THR HA H 76 3.994 3.994 4.068 -0.074 18905 11074 1 18 . 1 1 76 76 THR C C 76 174.630 174.630 175.368 -0.738 18905 11075 1 18 . 1 1 76 76 THR CA C 76 64.225 64.225 65.429 -1.204 18905 11076 1 18 . 1 1 76 76 THR CB C 76 66.003 66.003 68.420 -2.417 18905 11077 1 18 . 1 1 76 76 THR H H 76 8.614 8.614 8.699 -0.085 18905 11078 1 18 . 1 1 77 77 ILE N N 77 120.400 120.400 120.009 0.391 18905 11079 1 18 . 1 1 77 77 ILE HA H 77 3.911 3.911 3.961 -0.050 18905 11080 1 18 . 1 1 77 77 ILE C C 77 175.577 175.577 177.812 -2.235 18905 11081 1 18 . 1 1 77 77 ILE CA C 77 61.264 61.264 63.773 -2.509 18905 11082 1 18 . 1 1 77 77 ILE CB C 77 35.379 35.379 37.848 -2.469 18905 11083 1 18 . 1 1 77 77 ILE H H 77 8.044 8.044 8.133 -0.089 18905 11084 1 18 . 1 1 78 78 GLU N N 78 120.562 120.562 120.724 -0.162 18905 11085 1 18 . 1 1 78 78 GLU HA H 78 4.062 4.062 4.113 -0.051 18905 11086 1 18 . 1 1 78 78 GLU C C 78 176.596 176.596 177.971 -1.375 18905 11087 1 18 . 1 1 78 78 GLU CA C 78 56.355 56.355 59.551 -3.196 18905 11088 1 18 . 1 1 78 78 GLU CB C 78 27.668 27.668 29.149 -1.481 18905 11089 1 18 . 1 1 78 78 GLU H H 78 7.548 7.548 8.085 -0.537 18905 11090 1 18 . 1 1 79 79 ALA N N 79 122.789 122.789 119.568 3.221 18905 11091 1 18 . 1 1 79 79 ALA HA H 79 3.923 3.923 4.332 -0.409 18905 11092 1 18 . 1 1 79 79 ALA C C 79 175.736 175.736 177.562 -1.826 18905 11093 1 18 . 1 1 79 79 ALA CA C 79 52.649 52.649 53.597 -0.948 18905 11094 1 18 . 1 1 79 79 ALA CB C 79 15.305 15.305 18.596 -3.291 18905 11095 1 18 . 1 1 79 79 ALA H H 79 9.279 9.279 8.416 0.863 18905 11096 1 18 . 1 1 80 80 ALA N N 80 118.643 118.643 118.558 0.085 18905 11097 1 18 . 1 1 80 80 ALA HA H 80 4.001 4.001 4.688 -0.687 18905 11098 1 18 . 1 1 80 80 ALA C C 80 177.943 177.943 176.725 1.218 18905 11099 1 18 . 1 1 80 80 ALA CA C 80 52.521 52.521 52.024 0.497 18905 11100 1 18 . 1 1 80 80 ALA CB C 80 15.281 15.281 19.584 -4.303 18905 11101 1 18 . 1 1 80 80 ALA H H 80 7.688 7.688 7.659 0.029 18905 11102 1 18 . 1 1 81 81 GLN N N 81 116.877 116.877 116.636 0.241 18905 11103 1 18 . 1 1 81 81 GLN HA H 81 4.015 4.015 4.464 -0.449 18905 11104 1 18 . 1 1 81 81 GLN CA C 81 55.760 55.760 56.413 -0.653 18905 11105 1 18 . 1 1 81 81 GLN CB C 81 25.786 25.786 29.789 -4.003 18905 11106 1 18 . 1 1 81 81 GLN H H 81 7.593 7.593 7.803 -0.210 18905 11107 1 18 . 1 1 82 82 LEU N N 82 119.946 119.946 123.354 -3.408 18905 11108 1 18 . 1 1 82 82 LEU HA H 82 4.121 4.121 4.056 0.065 18905 11109 1 18 . 1 1 82 82 LEU C C 82 175.358 175.358 178.304 -2.946 18905 11110 1 18 . 1 1 82 82 LEU CA C 82 54.781 54.781 57.703 -2.922 18905 11111 1 18 . 1 1 82 82 LEU CB C 82 38.240 38.240 40.900 -2.660 18905 11112 1 18 . 1 1 82 82 LEU H H 82 8.258 8.258 8.271 -0.013 18905 11113 1 18 . 1 1 83 83 LEU N N 83 119.288 119.288 119.633 -0.345 18905 11114 1 18 . 1 1 83 83 LEU HA H 83 3.585 3.585 3.922 -0.337 18905 11115 1 18 . 1 1 83 83 LEU C C 83 175.365 175.365 178.414 -3.049 18905 11116 1 18 . 1 1 83 83 LEU CA C 83 56.142 56.142 57.576 -1.434 18905 11117 1 18 . 1 1 83 83 LEU CB C 83 38.875 38.875 41.623 -2.748 18905 11118 1 18 . 1 1 83 83 LEU H H 83 8.407 8.407 8.210 0.197 18905 11119 1 18 . 1 1 84 84 GLN N N 84 115.391 115.391 118.379 -2.988 18905 11120 1 18 . 1 1 84 84 GLN HA H 84 3.878 3.878 4.041 -0.163 18905 11121 1 18 . 1 1 84 84 GLN C C 84 176.472 176.472 178.507 -2.035 18905 11122 1 18 . 1 1 84 84 GLN CA C 84 56.142 56.142 58.705 -2.563 18905 11123 1 18 . 1 1 84 84 GLN CB C 84 25.733 25.733 29.017 -3.284 18905 11124 1 18 . 1 1 84 84 GLN H H 84 7.347 7.347 7.872 -0.525 18905 11125 1 18 . 1 1 85 85 ILE N N 85 119.593 119.593 121.810 -2.217 18905 11126 1 18 . 1 1 85 85 ILE HA H 85 3.607 3.607 3.632 -0.025 18905 11127 1 18 . 1 1 85 85 ILE CA C 85 61.779 61.779 64.485 -2.706 18905 11128 1 18 . 1 1 85 85 ILE CB C 85 35.948 35.948 37.825 -1.877 18905 11129 1 18 . 1 1 85 85 ILE H H 85 7.650 7.650 7.310 0.340 18905 11130 1 18 . 1 1 86 86 LEU N N 86 116.537 116.537 117.753 -1.216 18905 11131 1 18 . 1 1 86 86 LEU HA H 86 3.757 3.757 4.089 -0.332 18905 11132 1 18 . 1 1 86 86 LEU C C 86 177.610 177.610 178.182 -0.572 18905 11133 1 18 . 1 1 86 86 LEU CA C 86 54.521 54.521 56.504 -1.983 18905 11134 1 18 . 1 1 86 86 LEU CB C 86 39.226 39.226 40.429 -1.203 18905 11135 1 18 . 1 1 86 86 LEU H H 86 8.410 8.410 8.249 0.161 18905 11136 1 18 . 1 1 87 87 GLN N N 87 115.959 115.959 117.441 -1.482 18905 11137 1 18 . 1 1 87 87 GLN HA H 87 4.009 4.009 4.289 -0.280 18905 11138 1 18 . 1 1 87 87 GLN C C 87 174.156 174.156 176.497 -2.341 18905 11139 1 18 . 1 1 87 87 GLN CA C 87 55.735 55.735 56.804 -1.069 18905 11140 1 18 . 1 1 87 87 GLN CB C 87 25.516 25.516 29.171 -3.655 18905 11141 1 18 . 1 1 87 87 GLN H H 87 8.406 8.406 7.494 0.912 18905 11142 1 18 . 1 1 88 88 ALA N N 88 120.044 120.044 121.947 -1.903 18905 11143 1 18 . 1 1 88 88 ALA HA H 88 4.338 4.338 4.495 -0.157 18905 11144 1 18 . 1 1 88 88 ALA C C 88 174.373 174.373 176.648 -2.275 18905 11145 1 18 . 1 1 88 88 ALA CA C 88 48.933 48.933 51.906 -2.973 18905 11146 1 18 . 1 1 88 88 ALA CB C 88 16.681 16.681 19.713 -3.032 18905 11147 1 18 . 1 1 88 88 ALA H H 88 7.110 7.110 7.637 -0.527 18905 11148 1 18 . 1 1 89 89 LEU N N 89 119.696 119.696 118.641 1.055 18905 11149 1 18 . 1 1 89 89 LEU HA H 89 3.929 3.929 4.485 -0.556 18905 11150 1 18 . 1 1 89 89 LEU C C 89 175.387 175.387 175.518 -0.131 18905 11151 1 18 . 1 1 89 89 LEU CA C 89 53.364 53.364 53.949 -0.585 18905 11152 1 18 . 1 1 89 89 LEU CB C 89 39.775 39.775 44.281 -4.506 18905 11153 1 18 . 1 1 89 89 LEU H H 89 6.693 6.693 7.193 -0.500 18905 11154 1 18 . 1 1 90 90 HIS N N 90 120.136 120.136 114.930 5.206 18905 11155 1 18 . 1 1 90 90 HIS HA H 90 4.419 4.419 4.963 -0.544 18905 11156 1 18 . 1 1 90 90 HIS CA C 90 50.226 50.226 53.709 -3.483 18905 11157 1 18 . 1 1 90 90 HIS CB C 90 27.853 27.853 28.963 -1.110 18905 11158 1 18 . 1 1 90 90 HIS H H 90 8.299 8.299 8.119 0.180 18905 11159 1 18 . 1 1 91 91 PRO HA H 91 4.367 4.367 4.787 -0.420 18905 11160 1 18 . 1 1 91 91 PRO CA C 91 60.550 60.550 61.562 -1.012 18905 11161 1 18 . 1 1 91 91 PRO CB C 91 29.416 29.416 32.142 -2.726 18905 11162 1 18 . 1 1 92 92 PRO HA H 92 4.815 4.815 4.396 0.419 18905 11163 1 18 . 1 1 92 92 PRO CA C 92 59.812 59.812 62.779 -2.967 18905 11164 1 18 . 1 1 92 92 PRO CB C 92 30.119 30.119 31.930 -1.811 18905 11165 1 18 . 1 1 93 93 LEU N N 93 121.469 121.469 122.033 -0.564 18905 11166 1 18 . 1 1 93 93 LEU HA H 93 3.954 3.954 4.472 -0.518 18905 11167 1 18 . 1 1 93 93 LEU CA C 93 53.500 53.500 54.005 -0.505 18905 11168 1 18 . 1 1 93 93 LEU CB C 93 39.889 39.889 40.037 -0.148 18905 11169 1 18 . 1 1 93 93 LEU H H 93 8.404 8.404 7.880 0.524 18905 11170 1 18 . 1 1 94 94 THR HA H 94 5.276 5.276 4.471 0.805 18905 11171 1 18 . 1 1 94 94 THR CA C 94 57.077 57.077 61.889 -4.812 18905 11172 1 18 . 1 1 94 94 THR CB C 94 69.076 69.076 68.153 0.923 18905 11173 1 18 . 1 1 95 95 ILE N N 95 121.239 121.239 126.398 -5.159 18905 11174 1 18 . 1 1 95 95 ILE HA H 95 4.184 4.184 4.099 0.085 18905 11175 1 18 . 1 1 95 95 ILE CA C 95 58.054 58.054 61.616 -3.562 18905 11176 1 18 . 1 1 95 95 ILE CB C 95 37.534 37.534 38.777 -1.243 18905 11177 1 18 . 1 1 95 95 ILE H H 95 8.317 8.317 7.760 0.557 18905 11178 1 18 . 1 1 96 96 ASP N N 96 130.909 130.909 125.420 5.489 18905 11179 1 18 . 1 1 96 96 ASP HA H 96 4.292 4.292 4.276 0.016 18905 11180 1 18 . 1 1 96 96 ASP CA C 96 53.001 53.001 55.806 -2.805 18905 11181 1 18 . 1 1 96 96 ASP CB C 96 37.114 37.114 40.711 -3.597 18905 11182 1 18 . 1 1 96 96 ASP H H 96 9.837 9.837 8.944 0.893 18905 11183 1 18 . 1 1 97 97 GLY N N 97 102.578 102.578 107.518 -4.940 18905 11184 1 18 . 1 1 97 97 GLY C C 97 170.992 170.992 173.965 -2.973 18905 11185 1 18 . 1 1 97 97 GLY CA C 97 42.754 42.754 45.231 -2.477 18905 11186 1 18 . 1 1 97 97 GLY H H 97 8.638 8.638 7.887 0.751 18905 11187 1 18 . 1 1 98 98 LYS N N 98 120.330 120.330 118.895 1.435 18905 11188 1 18 . 1 1 98 98 LYS HA H 98 4.629 4.629 4.869 -0.240 18905 11189 1 18 . 1 1 98 98 LYS C C 98 172.675 172.675 174.807 -2.132 18905 11190 1 18 . 1 1 98 98 LYS CA C 98 50.304 50.304 53.643 -3.339 18905 11191 1 18 . 1 1 98 98 LYS CB C 98 31.136 31.136 35.034 -3.898 18905 11192 1 18 . 1 1 98 98 LYS H H 98 7.440 7.440 7.965 -0.525 18905 11193 1 18 . 1 1 99 99 THR N N 99 119.612 119.612 111.812 7.800 18905 11194 1 18 . 1 1 99 99 THR HA H 99 4.356 4.356 4.636 -0.280 18905 11195 1 18 . 1 1 99 99 THR C C 99 171.511 171.511 172.918 -1.407 18905 11196 1 18 . 1 1 99 99 THR CA C 99 60.382 60.382 59.978 0.404 18905 11197 1 18 . 1 1 99 99 THR CB C 99 65.967 65.967 71.138 -5.171 18905 11198 1 18 . 1 1 99 99 THR H H 99 8.626 8.626 8.230 0.396 18905 11199 1 18 . 1 1 100 100 ILE N N 100 129.389 129.389 120.370 9.019 18905 11200 1 18 . 1 1 100 100 ILE HA H 100 4.358 4.358 4.556 -0.198 18905 11201 1 18 . 1 1 100 100 ILE C C 100 172.710 172.710 176.067 -3.357 18905 11202 1 18 . 1 1 100 100 ILE CA C 100 55.202 55.202 59.109 -3.908 18905 11203 1 18 . 1 1 100 100 ILE CB C 100 34.925 34.925 38.067 -3.142 18905 11204 1 18 . 1 1 100 100 ILE H H 100 8.463 8.463 8.348 0.115 18905 11205 1 18 . 1 1 101 101 ASN N N 101 123.767 123.767 124.379 -0.612 18905 11206 1 18 . 1 1 101 101 ASN HA H 101 4.904 4.904 4.787 0.117 18905 11207 1 18 . 1 1 101 101 ASN C C 101 170.860 170.860 174.679 -3.819 18905 11208 1 18 . 1 1 101 101 ASN CA C 101 49.884 49.884 53.034 -3.150 18905 11209 1 18 . 1 1 101 101 ASN CB C 101 38.364 38.364 39.903 -1.539 18905 11210 1 18 . 1 1 101 101 ASN H H 101 7.878 7.878 8.161 -0.283 18905 11211 1 18 . 1 1 102 102 VAL N N 102 122.207 122.207 119.196 3.011 18905 11212 1 18 . 1 1 102 102 VAL HA H 102 4.933 4.933 4.268 0.665 18905 11213 1 18 . 1 1 102 102 VAL C C 102 175.222 175.222 174.036 1.186 18905 11214 1 18 . 1 1 102 102 VAL CA C 102 57.981 57.981 61.330 -3.349 18905 11215 1 18 . 1 1 102 102 VAL CB C 102 31.183 31.183 33.102 -1.919 18905 11216 1 18 . 1 1 102 102 VAL H H 102 8.503 8.503 8.288 0.215 18905 11217 1 18 . 1 1 103 103 GLU N N 103 124.079 124.079 128.812 -4.733 18905 11218 1 18 . 1 1 103 103 GLU HA H 103 4.557 4.557 4.552 0.005 18905 11219 1 18 . 1 1 103 103 GLU CA C 103 51.772 51.772 55.313 -3.541 18905 11220 1 18 . 1 1 103 103 GLU CB C 103 31.226 31.226 33.525 -2.299 18905 11221 1 18 . 1 1 103 103 GLU H H 103 8.627 8.627 8.571 0.056 18905 11222 1 18 . 1 1 104 104 PHE N N 104 121.287 121.287 118.116 3.171 18905 11223 1 18 . 1 1 104 104 PHE HA H 104 5.047 5.047 5.152 -0.105 18905 11224 1 18 . 1 1 104 104 PHE C C 104 173.023 173.023 174.171 -1.148 18905 11225 1 18 . 1 1 104 104 PHE CA C 104 55.305 55.305 54.072 1.233 18905 11226 1 18 . 1 1 104 104 PHE CB C 104 38.342 38.342 41.832 -3.490 18905 11227 1 18 . 1 1 104 104 PHE H H 104 8.778 8.778 8.570 0.208 18905 11228 1 18 . 1 1 105 105 ALA N N 105 127.703 127.703 121.066 6.637 18905 11229 1 18 . 1 1 105 105 ALA HA H 105 4.278 4.278 4.359 -0.081 18905 11230 1 18 . 1 1 105 105 ALA C C 105 172.939 172.939 175.263 -2.324 18905 11231 1 18 . 1 1 105 105 ALA CA C 105 48.936 48.936 52.067 -3.131 18905 11232 1 18 . 1 1 105 105 ALA CB C 105 17.822 17.822 19.797 -1.974 18905 11233 1 18 . 1 1 105 105 ALA H H 105 8.630 8.630 8.426 0.204 18905 11234 1 18 . 1 1 106 106 LYS N N 106 121.259 121.259 121.335 -0.076 18905 11235 1 18 . 1 1 106 106 LYS HA H 106 4.211 4.211 4.211 -0.000 18905 11236 1 18 . 1 1 106 106 LYS C C 106 174.939 174.939 176.178 -1.239 18905 11237 1 18 . 1 1 106 106 LYS CA C 106 52.995 52.995 55.802 -2.807 18905 11238 1 18 . 1 1 106 106 LYS CB C 106 30.290 30.290 32.210 -1.920 18905 11239 1 18 . 1 1 106 106 LYS H H 106 8.289 8.289 7.052 1.237 18905 11240 1 18 . 1 1 107 107 GLY N N 107 111.965 111.965 115.605 -3.640 18905 11241 1 18 . 1 1 107 107 GLY C C 107 171.215 171.215 172.589 -1.374 18905 11242 1 18 . 1 1 107 107 GLY CA C 107 42.651 42.651 44.505 -1.854 18905 11243 1 18 . 1 1 107 107 GLY H H 107 8.921 8.921 8.234 0.687 18905 11244 1 18 . 1 1 108 108 SER N N 108 114.479 114.479 116.485 -2.006 18905 11245 1 18 . 1 1 108 108 SER HA H 108 4.294 4.294 4.589 -0.295 18905 11246 1 18 . 1 1 108 108 SER C C 108 172.040 172.040 172.554 -0.514 18905 11247 1 18 . 1 1 108 108 SER CA C 108 55.336 55.336 58.173 -2.837 18905 11248 1 18 . 1 1 108 108 SER H H 108 8.197 8.197 7.813 0.384 18905 11249 1 18 . 1 1 109 109 LYS N N 109 123.374 123.374 122.722 0.652 18905 11250 1 18 . 1 1 109 109 LYS HA H 109 4.198 4.198 4.801 -0.603 18905 11251 1 18 . 1 1 109 109 LYS C C 109 173.967 173.967 175.891 -1.924 18905 11252 1 18 . 1 1 109 109 LYS CA C 109 53.730 53.730 54.999 -1.269 18905 11253 1 18 . 1 1 109 109 LYS CB C 109 30.137 30.137 34.216 -4.079 18905 11254 1 18 . 1 1 109 109 LYS H H 109 8.306 8.306 8.416 -0.110 18905 11255 1 18 . 1 1 110 110 ARG N N 110 134.189 134.189 123.119 11.070 18905 11256 1 18 . 1 1 110 110 ARG HA H 110 4.542 4.542 4.559 -0.017 18905 11257 1 18 . 1 1 110 110 ARG C C 110 173.119 173.119 175.130 -2.011 18905 11258 1 18 . 1 1 110 110 ARG CA C 110 52.474 52.474 56.010 -3.536 18905 11259 1 18 . 1 1 110 110 ARG CB C 110 32.296 32.296 31.131 1.165 18905 11260 1 18 . 1 1 111 111 ASP N N 111 123.210 123.210 123.368 -0.158 18905 11261 1 18 . 1 1 111 111 ASP HA H 111 4.519 4.519 4.826 -0.307 18905 11262 1 18 . 1 1 111 111 ASP C C 111 174.187 174.187 175.286 -1.099 18905 11263 1 18 . 1 1 111 111 ASP CA C 111 52.307 52.307 54.197 -1.890 18905 11264 1 18 . 1 1 111 111 ASP CB C 111 40.206 40.206 41.828 -1.622 18905 11265 1 18 . 1 1 111 111 ASP H H 111 8.523 8.523 8.459 0.064 18905 11266 1 18 . 1 1 112 112 MET HA H 112 4.330 4.330 5.019 -0.689 18905 11267 1 18 . 1 1 112 112 MET CA C 112 53.074 53.074 54.612 -1.538 18905 11268 1 18 . 1 1 112 112 MET CB C 112 30.057 30.057 35.231 -5.174 18905 11269 1 18 . 1 1 113 113 ALA N N 113 124.061 124.061 125.244 -1.183 18905 11270 1 18 . 1 1 113 113 ALA HA H 113 4.229 4.229 4.898 -0.669 18905 11271 1 18 . 1 1 113 113 ALA C C 113 175.243 175.243 176.031 -0.788 18905 11272 1 18 . 1 1 113 113 ALA CA C 113 49.967 49.967 52.769 -2.801 18905 11273 1 18 . 1 1 113 113 ALA CB C 113 16.436 16.436 20.178 -3.743 18905 11274 1 18 . 1 1 113 113 ALA H H 113 8.214 8.214 8.933 -0.719 18905 11275 1 18 . 1 1 114 114 SER N N 114 114.286 114.286 113.474 0.812 18905 11276 1 18 . 1 1 114 114 SER HA H 114 4.376 4.376 4.451 -0.075 18905 11277 1 18 . 1 1 114 114 SER CA C 114 55.596 55.596 57.703 -2.107 18905 11278 1 18 . 1 1 114 114 SER CB C 114 61.009 61.009 63.663 -2.654 18905 11279 1 18 . 1 1 114 114 SER H H 114 8.124 8.124 8.068 0.056 18905 11280 1 18 . 1 1 119 119 ARG N N 119 122.813 122.813 120.787 2.026 18905 11281 1 18 . 1 1 119 119 ARG HA H 119 4.294 4.294 4.583 -0.289 18905 11282 1 18 . 1 1 119 119 ARG C C 119 173.654 173.654 175.478 -1.824 18905 11283 1 18 . 1 1 119 119 ARG CA C 119 53.701 53.701 55.931 -2.230 18905 11284 1 18 . 1 1 119 119 ARG CB C 119 28.140 28.140 31.006 -2.866 18905 11285 1 18 . 1 1 119 119 ARG H H 119 8.246 8.246 8.243 0.003 18905 11286 1 18 . 1 1 120 120 ILE N N 120 121.624 121.624 119.199 2.425 18905 11287 1 18 . 1 1 120 120 ILE HA H 120 4.099 4.099 4.691 -0.592 18905 11288 1 18 . 1 1 120 120 ILE C C 120 173.651 173.651 175.799 -2.148 18905 11289 1 18 . 1 1 120 120 ILE CA C 120 58.593 58.593 59.986 -1.393 18905 11290 1 18 . 1 1 120 120 ILE CB C 120 36.091 36.091 39.625 -3.534 18905 11291 1 18 . 1 1 120 120 ILE H H 120 8.084 8.084 8.068 0.016 18905 11292 1 18 . 1 1 121 121 SER N N 121 119.953 119.953 115.450 4.503 18905 11293 1 18 . 1 1 121 121 SER HA H 121 4.378 4.378 4.597 -0.219 18905 11294 1 18 . 1 1 121 121 SER C C 121 170.780 170.780 173.725 -2.945 18905 11295 1 18 . 1 1 121 121 SER CA C 121 55.506 55.506 57.856 -2.350 18905 11296 1 18 . 1 1 121 121 SER CB C 121 61.571 61.571 64.169 -2.598 18905 11297 1 18 . 1 1 121 121 SER H H 121 8.300 8.300 8.267 0.033 18905 11298 1 18 . 1 1 123 123 ALA N N 123 119.892 119.892 120.736 -0.844 18905 11299 1 18 . 1 1 123 123 ALA HA H 123 4.102 4.102 4.417 -0.315 18905 11300 1 18 . 1 1 123 123 ALA CA C 123 58.473 58.473 52.279 6.194 18905 11301 1 18 . 1 1 123 123 ALA H H 123 8.305 8.305 8.338 -0.033 18905 11302 1 18 . 1 1 124 124 SER N N 124 122.264 122.264 113.108 9.156 18905 11303 1 18 . 1 1 124 124 SER HA H 124 4.384 4.384 5.214 -0.830 18905 11304 1 18 . 1 1 124 124 SER CA C 124 55.632 55.632 58.247 -2.615 18905 11305 1 18 . 1 1 124 124 SER CB C 124 60.925 60.925 65.831 -4.906 18905 11306 1 18 . 1 1 124 124 SER H H 124 8.353 8.353 8.461 -0.108 18905 11307 1 18 . 1 1 125 125 VAL N N 125 121.433 121.433 120.080 1.353 18905 11308 1 18 . 1 1 125 125 VAL HA H 125 4.073 4.073 4.975 -0.902 18905 11309 1 18 . 1 1 125 125 VAL C C 125 173.240 173.240 173.882 -0.642 18905 11310 1 18 . 1 1 125 125 VAL CA C 125 59.588 59.588 62.048 -2.460 18905 11311 1 18 . 1 1 125 125 VAL CB C 125 30.198 30.198 33.989 -3.791 18905 11312 1 18 . 1 1 125 125 VAL H H 125 8.014 8.014 8.729 -0.715 18905 11313 1 18 . 1 1 126 126 ALA N N 126 127.185 127.185 127.814 -0.629 18905 11314 1 18 . 1 1 126 126 ALA HA H 126 4.278 4.278 4.779 -0.501 18905 11315 1 18 . 1 1 126 126 ALA C C 126 175.118 175.118 175.451 -0.333 18905 11316 1 18 . 1 1 126 126 ALA CA C 126 49.919 49.919 51.887 -1.968 18905 11317 1 18 . 1 1 126 126 ALA CB C 126 16.532 16.532 20.904 -4.372 18905 11318 1 18 . 1 1 126 126 ALA H H 126 8.277 8.277 8.318 -0.041 18905 11319 1 18 . 1 1 127 127 SER N N 127 115.148 115.148 114.019 1.129 18905 11320 1 18 . 1 1 127 127 SER HA H 127 4.420 4.420 4.483 -0.063 18905 11321 1 18 . 1 1 127 127 SER C C 127 172.168 172.168 173.313 -1.145 18905 11322 1 18 . 1 1 127 127 SER CA C 127 55.770 55.770 58.077 -2.307 18905 11323 1 18 . 1 1 127 127 SER CB C 127 58.992 58.992 63.980 -4.988 18905 11324 1 18 . 1 1 127 127 SER H H 127 8.249 8.249 8.507 -0.258 18905 11325 1 18 . 1 1 128 128 THR N N 128 115.498 115.498 115.056 0.442 18905 11326 1 18 . 1 1 128 128 THR C C 128 171.392 171.392 173.549 -2.157 18905 11327 1 18 . 1 1 128 128 THR CA C 128 59.083 59.083 62.330 -3.247 18905 11328 1 18 . 1 1 128 128 THR H H 128 8.050 8.050 7.854 0.196 18905 11329 1 18 . 1 1 129 129 ALA N N 129 126.543 126.543 128.015 -1.472 18905 11330 1 18 . 1 1 129 129 ALA HA H 129 4.236 4.236 4.696 -0.460 18905 11331 1 18 . 1 1 129 129 ALA C C 129 174.650 174.650 175.699 -1.049 18905 11332 1 18 . 1 1 129 129 ALA CA C 129 49.794 49.794 51.816 -2.022 18905 11333 1 18 . 1 1 129 129 ALA CB C 129 16.538 16.538 20.162 -3.624 18905 11334 1 18 . 1 1 129 129 ALA H H 129 8.160 8.160 8.390 -0.230 18905 11335 1 18 . 1 1 130 130 ILE N N 130 120.371 120.371 118.037 2.334 18905 11336 1 18 . 1 1 130 130 ILE HA H 130 4.099 4.099 5.049 -0.950 18905 11337 1 18 . 1 1 130 130 ILE C C 130 173.651 173.651 175.597 -1.946 18905 11338 1 18 . 1 1 130 130 ILE CA C 130 58.513 58.513 60.806 -2.293 18905 11339 1 18 . 1 1 130 130 ILE CB C 130 36.091 36.091 40.161 -4.070 18905 11340 1 18 . 1 1 130 130 ILE H H 130 8.043 8.043 9.226 -1.183 18905 11341 1 19 . 1 1 4 4 GLY N N 4 110.117 110.117 108.652 1.465 18905 11342 1 19 . 1 1 4 4 GLY C C 4 171.413 171.413 173.053 -1.640 18905 11343 1 19 . 1 1 4 4 GLY CA C 4 42.667 42.667 44.799 -2.132 18905 11344 1 19 . 1 1 4 4 GLY H H 4 8.391 8.391 8.353 0.038 18905 11345 1 19 . 1 1 5 5 VAL N N 5 119.501 119.501 118.318 1.183 18905 11346 1 19 . 1 1 5 5 VAL HA H 5 4.018 4.018 4.463 -0.445 18905 11347 1 19 . 1 1 5 5 VAL C C 5 173.738 173.738 175.289 -1.551 18905 11348 1 19 . 1 1 5 5 VAL CA C 5 59.923 59.923 62.706 -2.783 18905 11349 1 19 . 1 1 5 5 VAL CB C 5 30.111 30.111 31.478 -1.367 18905 11350 1 19 . 1 1 5 5 VAL H H 5 7.951 7.951 8.216 -0.265 18905 11351 1 19 . 1 1 6 6 LEU N N 6 125.484 125.484 124.789 0.695 18905 11352 1 19 . 1 1 6 6 LEU HA H 6 4.280 4.280 5.014 -0.734 18905 11353 1 19 . 1 1 6 6 LEU C C 6 174.708 174.708 175.429 -0.721 18905 11354 1 19 . 1 1 6 6 LEU CA C 6 52.535 52.535 54.461 -1.926 18905 11355 1 19 . 1 1 6 6 LEU CB C 6 39.586 39.586 44.301 -4.715 18905 11356 1 19 . 1 1 6 6 LEU H H 6 8.248 8.248 8.192 0.056 18905 11357 1 19 . 1 1 7 7 ALA N N 7 124.939 124.939 124.042 0.897 18905 11358 1 19 . 1 1 7 7 ALA HA H 7 4.234 4.234 4.662 -0.428 18905 11359 1 19 . 1 1 7 7 ALA C C 7 174.865 174.865 176.162 -1.297 18905 11360 1 19 . 1 1 7 7 ALA CA C 7 50.136 50.136 51.657 -1.521 18905 11361 1 19 . 1 1 7 7 ALA CB C 7 16.500 16.500 20.609 -4.109 18905 11362 1 19 . 1 1 7 7 ALA H H 7 8.241 8.241 8.399 -0.158 18905 11363 1 19 . 1 1 8 8 SER N N 8 117.901 117.901 116.289 1.612 18905 11364 1 19 . 1 1 8 8 SER HA H 8 4.377 4.377 4.568 -0.191 18905 11365 1 19 . 1 1 8 8 SER C C 8 172.221 172.221 174.327 -2.106 18905 11366 1 19 . 1 1 8 8 SER CA C 8 56.008 56.008 58.789 -2.781 18905 11367 1 19 . 1 1 8 8 SER CB C 8 61.008 61.008 63.893 -2.885 18905 11368 1 19 . 1 1 8 8 SER H H 8 8.347 8.347 8.387 -0.040 18905 11369 1 19 . 1 1 9 9 GLN N N 9 122.019 122.019 121.663 0.356 18905 11370 1 19 . 1 1 9 9 GLN HA H 9 4.302 4.302 4.423 -0.121 18905 11371 1 19 . 1 1 9 9 GLN C C 9 173.160 173.160 174.857 -1.697 18905 11372 1 19 . 1 1 9 9 GLN CA C 9 53.470 53.470 56.144 -2.674 18905 11373 1 19 . 1 1 9 9 GLN CB C 9 26.663 26.663 29.393 -2.731 18905 11374 1 19 . 1 1 9 9 GLN H H 9 8.240 8.240 8.516 -0.276 18905 11375 1 19 . 1 1 10 10 ALA N N 10 124.490 124.490 123.635 0.855 18905 11376 1 19 . 1 1 10 10 ALA HA H 10 4.238 4.238 4.849 -0.611 18905 11377 1 19 . 1 1 10 10 ALA C C 10 175.142 175.142 175.681 -0.539 18905 11378 1 19 . 1 1 10 10 ALA CA C 10 50.121 50.121 51.543 -1.422 18905 11379 1 19 . 1 1 10 10 ALA CB C 10 16.322 16.322 20.095 -3.772 18905 11380 1 19 . 1 1 10 10 ALA H H 10 8.132 8.132 8.529 -0.397 18905 11381 1 19 . 1 1 11 11 LEU N N 11 120.785 120.785 122.339 -1.554 18905 11382 1 19 . 1 1 11 11 LEU HA H 11 4.278 4.278 4.972 -0.694 18905 11383 1 19 . 1 1 11 11 LEU C C 11 174.929 174.929 176.517 -1.588 18905 11384 1 19 . 1 1 11 11 LEU CA C 11 52.612 52.612 55.866 -3.254 18905 11385 1 19 . 1 1 11 11 LEU CB C 11 39.647 39.647 43.138 -3.491 18905 11386 1 19 . 1 1 11 11 LEU H H 11 8.088 8.088 8.809 -0.721 18905 11387 1 19 . 1 1 12 12 SER N N 12 116.121 116.121 113.762 2.359 18905 11388 1 19 . 1 1 12 12 SER C C 12 171.977 171.977 172.898 -0.921 18905 11389 1 19 . 1 1 12 12 SER CA C 12 55.621 55.621 57.745 -2.124 18905 11390 1 19 . 1 1 12 12 SER CB C 12 56.041 56.041 65.331 -9.290 18905 11391 1 19 . 1 1 12 12 SER H H 12 8.170 8.170 8.542 -0.372 18905 11392 1 19 . 1 1 13 13 GLN N N 13 122.139 122.139 119.089 3.050 18905 11393 1 19 . 1 1 13 13 GLN HA H 13 4.312 4.312 5.153 -0.841 18905 11394 1 19 . 1 1 13 13 GLN CA C 13 54.059 54.059 54.303 -0.244 18905 11395 1 19 . 1 1 13 13 GLN H H 13 8.368 8.368 8.777 -0.409 18905 11396 1 19 . 1 1 14 14 GLY N N 14 109.259 109.259 109.996 -0.737 18905 11397 1 19 . 1 1 14 14 GLY CA C 14 42.970 42.970 45.026 -2.056 18905 11398 1 19 . 1 1 14 14 GLY H H 14 8.378 8.378 8.960 -0.582 18905 11399 1 19 . 1 1 15 15 SER N N 15 115.486 115.486 116.674 -1.188 18905 11400 1 19 . 1 1 15 15 SER HA H 15 4.378 4.378 4.937 -0.559 18905 11401 1 19 . 1 1 15 15 SER CA C 15 55.853 55.853 57.409 -1.556 18905 11402 1 19 . 1 1 15 15 SER CB C 15 59.406 59.406 66.460 -7.054 18905 11403 1 19 . 1 1 15 15 SER H H 15 8.085 8.085 8.441 -0.356 18905 11404 1 19 . 1 1 16 16 GLU N N 16 120.501 120.501 122.384 -1.883 18905 11405 1 19 . 1 1 16 16 GLU HA H 16 4.664 4.664 4.663 0.001 18905 11406 1 19 . 1 1 16 16 GLU CA C 16 50.628 50.628 54.537 -3.909 18905 11407 1 19 . 1 1 16 16 GLU CB C 16 36.442 36.442 29.747 6.695 18905 11408 1 19 . 1 1 16 16 GLU H H 16 8.376 8.376 8.556 -0.180 18905 11409 1 19 . 1 1 17 17 PRO CA C 17 65.700 65.700 62.856 2.844 18905 11410 1 19 . 1 1 22 22 ALA N N 22 124.130 124.130 123.956 0.174 18905 11411 1 19 . 1 1 22 22 ALA HA H 22 4.178 4.178 4.336 -0.158 18905 11412 1 19 . 1 1 22 22 ALA CA C 22 49.746 49.746 52.058 -2.312 18905 11413 1 19 . 1 1 22 22 ALA CB C 22 16.789 16.789 18.865 -2.076 18905 11414 1 19 . 1 1 22 22 ALA H H 22 8.096 8.096 8.419 -0.323 18905 11415 1 19 . 1 1 23 23 ASN N N 23 117.516 117.516 120.402 -2.886 18905 11416 1 19 . 1 1 23 23 ASN HA H 23 4.672 4.672 4.957 -0.285 18905 11417 1 19 . 1 1 23 23 ASN C C 23 171.179 171.179 173.501 -2.322 18905 11418 1 19 . 1 1 23 23 ASN CA C 23 50.084 50.084 51.763 -1.679 18905 11419 1 19 . 1 1 23 23 ASN CB C 23 36.737 36.737 40.984 -4.247 18905 11420 1 19 . 1 1 23 23 ASN H H 23 8.037 8.037 8.496 -0.459 18905 11421 1 19 . 1 1 24 24 ASP N N 24 118.387 118.387 120.499 -2.112 18905 11422 1 19 . 1 1 24 24 ASP HA H 24 4.676 4.676 5.011 -0.335 18905 11423 1 19 . 1 1 24 24 ASP CA C 24 50.660 50.660 53.729 -3.069 18905 11424 1 19 . 1 1 24 24 ASP CB C 24 40.670 40.670 42.046 -1.376 18905 11425 1 19 . 1 1 24 24 ASP H H 24 8.198 8.198 8.578 -0.380 18905 11426 1 19 . 1 1 25 25 THR N N 25 114.224 114.224 118.124 -3.900 18905 11427 1 19 . 1 1 25 25 THR HA H 25 5.275 5.275 5.146 0.129 18905 11428 1 19 . 1 1 25 25 THR CA C 25 59.162 59.162 61.842 -2.680 18905 11429 1 19 . 1 1 25 25 THR CB C 25 68.849 68.849 71.531 -2.682 18905 11430 1 19 . 1 1 25 25 THR H H 25 8.090 8.090 8.528 -0.438 18905 11431 1 19 . 1 1 26 26 ILE N N 26 126.637 126.637 127.101 -0.464 18905 11432 1 19 . 1 1 26 26 ILE HA H 26 4.650 4.650 4.150 0.500 18905 11433 1 19 . 1 1 26 26 ILE C C 26 171.500 171.500 174.980 -3.480 18905 11434 1 19 . 1 1 26 26 ILE CA C 26 56.930 56.930 63.159 -6.229 18905 11435 1 19 . 1 1 26 26 ILE CB C 26 38.159 38.159 38.715 -0.556 18905 11436 1 19 . 1 1 26 26 ILE H H 26 9.314 9.314 8.597 0.717 18905 11437 1 19 . 1 1 27 27 ILE N N 27 126.764 126.764 124.209 2.555 18905 11438 1 19 . 1 1 27 27 ILE HA H 27 4.955 4.955 5.105 -0.150 18905 11439 1 19 . 1 1 27 27 ILE C C 27 171.462 171.462 174.375 -2.913 18905 11440 1 19 . 1 1 27 27 ILE CA C 27 56.909 56.909 59.608 -2.699 18905 11441 1 19 . 1 1 27 27 ILE CB C 27 38.397 38.397 41.995 -3.598 18905 11442 1 19 . 1 1 27 27 ILE H H 27 9.280 9.280 8.563 0.717 18905 11443 1 19 . 1 1 28 28 LEU N N 28 125.666 125.666 129.882 -4.216 18905 11444 1 19 . 1 1 28 28 LEU HA H 28 4.858 4.858 4.787 0.071 18905 11445 1 19 . 1 1 28 28 LEU C C 28 172.714 172.714 176.621 -3.907 18905 11446 1 19 . 1 1 28 28 LEU CA C 28 50.153 50.153 54.093 -3.940 18905 11447 1 19 . 1 1 28 28 LEU CB C 28 39.943 39.943 41.319 -1.376 18905 11448 1 19 . 1 1 28 28 LEU H H 28 8.791 8.791 8.161 0.630 18905 11449 1 19 . 1 1 29 29 ARG N N 29 119.656 119.656 119.322 0.334 18905 11450 1 19 . 1 1 29 29 ARG HA H 29 5.023 5.023 4.845 0.178 18905 11451 1 19 . 1 1 29 29 ARG C C 29 172.927 172.927 176.372 -3.445 18905 11452 1 19 . 1 1 29 29 ARG CA C 29 51.933 51.933 54.550 -2.617 18905 11453 1 19 . 1 1 29 29 ARG CB C 29 31.298 31.298 33.600 -2.302 18905 11454 1 19 . 1 1 29 29 ARG H H 29 8.742 8.742 7.965 0.777 18905 11455 1 19 . 1 1 30 30 ASN N N 30 115.104 115.104 115.088 0.016 18905 11456 1 19 . 1 1 30 30 ASN HA H 30 4.319 4.319 4.401 -0.082 18905 11457 1 19 . 1 1 30 30 ASN C C 30 172.025 172.025 174.336 -2.311 18905 11458 1 19 . 1 1 30 30 ASN CA C 30 51.550 51.550 54.346 -2.796 18905 11459 1 19 . 1 1 30 30 ASN CB C 30 35.656 35.656 38.072 -2.416 18905 11460 1 19 . 1 1 30 30 ASN H H 30 8.292 8.292 8.898 -0.606 18905 11461 1 19 . 1 1 31 31 LEU N N 31 113.394 113.394 118.031 -4.637 18905 11462 1 19 . 1 1 31 31 LEU HA H 31 3.915 3.915 4.217 -0.302 18905 11463 1 19 . 1 1 31 31 LEU C C 31 175.815 175.815 177.235 -1.420 18905 11464 1 19 . 1 1 31 31 LEU CA C 31 52.148 52.148 56.291 -4.143 18905 11465 1 19 . 1 1 31 31 LEU CB C 31 39.876 39.876 42.331 -2.455 18905 11466 1 19 . 1 1 31 31 LEU H H 31 7.602 7.602 7.520 0.082 18905 11467 1 19 . 1 1 32 32 ASN N N 32 123.357 123.357 118.388 4.969 18905 11468 1 19 . 1 1 32 32 ASN HA H 32 4.476 4.476 5.148 -0.672 18905 11469 1 19 . 1 1 32 32 ASN CA C 32 48.784 48.784 50.944 -2.160 18905 11470 1 19 . 1 1 32 32 ASN CB C 32 36.284 36.284 39.418 -3.134 18905 11471 1 19 . 1 1 32 32 ASN H H 32 9.816 9.816 8.464 1.352 18905 11472 1 19 . 1 1 33 33 PRO HA H 33 4.339 4.339 4.484 -0.145 18905 11473 1 19 . 1 1 33 33 PRO CA C 33 61.514 61.514 65.342 -3.828 18905 11474 1 19 . 1 1 33 33 PRO CB C 33 30.320 30.320 32.175 -1.855 18905 11475 1 19 . 1 1 34 34 HIS N N 34 111.187 111.187 114.844 -3.657 18905 11476 1 19 . 1 1 34 34 HIS HA H 34 4.402 4.402 4.640 -0.238 18905 11477 1 19 . 1 1 34 34 HIS CA C 34 53.125 53.125 55.262 -2.137 18905 11478 1 19 . 1 1 34 34 HIS CB C 34 25.760 25.760 29.447 -3.687 18905 11479 1 19 . 1 1 34 34 HIS H H 34 8.856 8.856 8.447 0.409 18905 11480 1 19 . 1 1 35 35 SER N N 35 118.219 118.219 116.987 1.232 18905 11481 1 19 . 1 1 35 35 SER HA H 35 4.718 4.718 4.464 0.254 18905 11482 1 19 . 1 1 35 35 SER CB C 35 60.222 60.222 63.740 -3.518 18905 11483 1 19 . 1 1 35 35 SER H H 35 8.262 8.262 7.590 0.672 18905 11484 1 19 . 1 1 36 36 THR N N 36 114.157 114.157 116.994 -2.837 18905 11485 1 19 . 1 1 36 36 THR HA H 36 4.545 4.545 4.392 0.153 18905 11486 1 19 . 1 1 36 36 THR CA C 36 56.508 56.508 61.523 -5.015 18905 11487 1 19 . 1 1 36 36 THR CB C 36 70.051 70.051 70.080 -0.029 18905 11488 1 19 . 1 1 36 36 THR H H 36 8.451 8.451 8.447 0.005 18905 11489 1 19 . 1 1 37 37 MET N N 37 119.815 119.815 122.838 -3.023 18905 11490 1 19 . 1 1 37 37 MET HA H 37 3.943 3.943 4.000 -0.057 18905 11491 1 19 . 1 1 37 37 MET CA C 37 56.204 56.204 59.449 -3.245 18905 11492 1 19 . 1 1 37 37 MET CB C 37 28.959 28.959 32.454 -3.495 18905 11493 1 19 . 1 1 37 37 MET H H 37 8.928 8.928 8.856 0.072 18905 11494 1 19 . 1 1 38 38 ASP N N 38 115.357 115.357 118.708 -3.351 18905 11495 1 19 . 1 1 38 38 ASP HA H 38 4.301 4.301 4.367 -0.066 18905 11496 1 19 . 1 1 38 38 ASP CA C 38 54.750 54.750 57.825 -3.075 18905 11497 1 19 . 1 1 38 38 ASP CB C 38 37.934 37.934 39.937 -2.003 18905 11498 1 19 . 1 1 38 38 ASP H H 38 8.096 8.096 8.887 -0.791 18905 11499 1 19 . 1 1 39 39 SER N N 39 118.933 118.933 115.880 3.053 18905 11500 1 19 . 1 1 39 39 SER HA H 39 4.253 4.253 4.206 0.047 18905 11501 1 19 . 1 1 39 39 SER C C 39 174.818 174.818 175.578 -0.760 18905 11502 1 19 . 1 1 39 39 SER CA C 39 58.767 58.767 61.390 -2.623 18905 11503 1 19 . 1 1 39 39 SER CB C 39 61.631 61.631 63.100 -1.469 18905 11504 1 19 . 1 1 39 39 SER H H 39 8.088 8.088 7.753 0.335 18905 11505 1 19 . 1 1 40 40 ILE N N 40 124.376 124.376 121.778 2.598 18905 11506 1 19 . 1 1 40 40 ILE HA H 40 3.538 3.538 3.915 -0.377 18905 11507 1 19 . 1 1 40 40 ILE C C 40 174.358 174.358 177.347 -2.989 18905 11508 1 19 . 1 1 40 40 ILE CA C 40 62.936 62.936 64.126 -1.190 18905 11509 1 19 . 1 1 40 40 ILE CB C 40 35.725 35.725 38.250 -2.525 18905 11510 1 19 . 1 1 40 40 ILE H H 40 8.009 8.009 7.478 0.531 18905 11511 1 19 . 1 1 41 41 LEU N N 41 117.914 117.914 120.119 -2.205 18905 11512 1 19 . 1 1 41 41 LEU HA H 41 3.818 3.818 3.865 -0.047 18905 11513 1 19 . 1 1 41 41 LEU C C 41 178.292 178.292 179.523 -1.231 18905 11514 1 19 . 1 1 41 41 LEU CA C 41 55.496 55.496 58.017 -2.521 18905 11515 1 19 . 1 1 41 41 LEU CB C 41 38.574 38.574 41.437 -2.863 18905 11516 1 19 . 1 1 41 41 LEU H H 41 8.574 8.574 7.653 0.921 18905 11517 1 19 . 1 1 42 42 GLY N N 42 105.053 105.053 105.343 -0.290 18905 11518 1 19 . 1 1 42 42 GLY C C 42 173.318 173.318 174.601 -1.283 18905 11519 1 19 . 1 1 42 42 GLY CA C 42 44.283 44.283 46.566 -2.283 18905 11520 1 19 . 1 1 42 42 GLY H H 42 8.207 8.207 8.441 -0.234 18905 11521 1 19 . 1 1 43 43 ALA N N 43 122.411 122.411 122.203 0.208 18905 11522 1 19 . 1 1 43 43 ALA HA H 43 4.245 4.245 4.220 0.025 18905 11523 1 19 . 1 1 43 43 ALA C C 43 176.200 176.200 178.010 -1.810 18905 11524 1 19 . 1 1 43 43 ALA CA C 43 51.148 51.148 53.652 -2.504 18905 11525 1 19 . 1 1 43 43 ALA CB C 43 17.381 17.381 19.939 -2.558 18905 11526 1 19 . 1 1 43 43 ALA H H 43 7.571 7.571 7.637 -0.066 18905 11527 1 19 . 1 1 44 44 LEU N N 44 113.121 113.121 117.915 -4.794 18905 11528 1 19 . 1 1 44 44 LEU HA H 44 4.514 4.514 4.698 -0.184 18905 11529 1 19 . 1 1 44 44 LEU C C 44 174.187 174.187 179.027 -4.840 18905 11530 1 19 . 1 1 44 44 LEU CA C 44 52.247 52.247 54.061 -1.814 18905 11531 1 19 . 1 1 44 44 LEU CB C 44 40.210 40.210 41.096 -0.886 18905 11532 1 19 . 1 1 44 44 LEU H H 44 7.533 7.533 8.136 -0.603 18905 11533 1 19 . 1 1 45 45 ALA N N 45 123.574 123.574 124.643 -1.069 18905 11534 1 19 . 1 1 45 45 ALA HA H 45 4.313 4.313 4.097 0.216 18905 11535 1 19 . 1 1 45 45 ALA CA C 45 53.187 53.187 56.353 -3.166 18905 11536 1 19 . 1 1 45 45 ALA CB C 45 14.134 14.134 16.488 -2.354 18905 11537 1 19 . 1 1 45 45 ALA H H 45 7.398 7.398 8.411 -1.013 18905 11538 1 19 . 1 1 46 46 PRO HA H 46 4.043 4.043 4.214 -0.171 18905 11539 1 19 . 1 1 46 46 PRO CA C 46 61.784 61.784 64.551 -2.767 18905 11540 1 19 . 1 1 46 46 PRO CB C 46 27.999 27.999 31.256 -3.257 18905 11541 1 19 . 1 1 47 47 TYR N N 47 114.404 114.404 117.718 -3.314 18905 11542 1 19 . 1 1 47 47 TYR HA H 47 4.527 4.527 4.732 -0.205 18905 11543 1 19 . 1 1 47 47 TYR CA C 47 54.406 54.406 55.708 -1.302 18905 11544 1 19 . 1 1 47 47 TYR CB C 47 37.537 37.537 38.360 -0.823 18905 11545 1 19 . 1 1 47 47 TYR H H 47 7.897 7.897 7.537 0.360 18905 11546 1 19 . 1 1 48 48 ALA N N 48 119.845 119.845 120.383 -0.538 18905 11547 1 19 . 1 1 48 48 ALA HA H 48 4.360 4.360 4.618 -0.258 18905 11548 1 19 . 1 1 48 48 ALA C C 48 171.938 171.938 176.090 -4.152 18905 11549 1 19 . 1 1 48 48 ALA CA C 48 49.129 49.129 51.750 -2.621 18905 11550 1 19 . 1 1 48 48 ALA CB C 48 19.614 19.614 21.180 -1.566 18905 11551 1 19 . 1 1 48 48 ALA H H 48 8.083 8.083 7.275 0.808 18905 11552 1 19 . 1 1 49 49 VAL N N 49 122.528 122.528 125.678 -3.150 18905 11553 1 19 . 1 1 49 49 VAL HA H 49 3.904 3.904 3.995 -0.091 18905 11554 1 19 . 1 1 49 49 VAL C C 49 172.490 172.490 174.867 -2.377 18905 11555 1 19 . 1 1 49 49 VAL CA C 49 60.373 60.373 63.651 -3.278 18905 11556 1 19 . 1 1 49 49 VAL CB C 49 28.257 28.257 30.447 -2.190 18905 11557 1 19 . 1 1 49 49 VAL H H 49 8.414 8.414 8.547 -0.133 18905 11558 1 19 . 1 1 50 50 LEU N N 50 127.924 127.924 122.616 5.308 18905 11559 1 19 . 1 1 50 50 LEU HA H 50 4.650 4.650 4.908 -0.258 18905 11560 1 19 . 1 1 50 50 LEU C C 50 172.488 172.488 175.120 -2.632 18905 11561 1 19 . 1 1 50 50 LEU CA C 50 50.523 50.523 53.304 -2.781 18905 11562 1 19 . 1 1 50 50 LEU CB C 50 42.647 42.647 44.697 -2.050 18905 11563 1 19 . 1 1 50 50 LEU H H 50 7.904 7.904 7.762 0.142 18905 11564 1 19 . 1 1 51 51 SER N N 51 114.999 114.999 112.773 2.226 18905 11565 1 19 . 1 1 51 51 SER HA H 51 4.783 4.783 4.794 -0.011 18905 11566 1 19 . 1 1 51 51 SER C C 51 172.827 172.827 174.924 -2.097 18905 11567 1 19 . 1 1 51 51 SER CA C 51 53.708 53.708 57.196 -3.488 18905 11568 1 19 . 1 1 51 51 SER CB C 51 63.424 63.424 65.251 -1.827 18905 11569 1 19 . 1 1 51 51 SER H H 51 8.623 8.623 8.260 0.363 18905 11570 1 19 . 1 1 52 52 SER N N 52 118.355 118.355 116.531 1.824 18905 11571 1 19 . 1 1 52 52 SER HA H 52 4.301 4.301 4.314 -0.013 18905 11572 1 19 . 1 1 52 52 SER C C 52 173.242 173.242 175.166 -1.924 18905 11573 1 19 . 1 1 52 52 SER CA C 52 58.709 58.709 60.600 -1.891 18905 11574 1 19 . 1 1 52 52 SER CB C 52 59.826 59.826 63.156 -3.330 18905 11575 1 19 . 1 1 52 52 SER H H 52 9.117 9.117 8.600 0.517 18905 11576 1 19 . 1 1 53 53 SER N N 53 114.926 114.926 117.831 -2.905 18905 11577 1 19 . 1 1 53 53 SER HA H 53 4.292 4.292 4.332 -0.040 18905 11578 1 19 . 1 1 53 53 SER CA C 53 57.882 57.882 60.376 -2.494 18905 11579 1 19 . 1 1 53 53 SER CB C 53 60.220 60.220 63.184 -2.964 18905 11580 1 19 . 1 1 53 53 SER H H 53 8.014 8.014 7.928 0.086 18905 11581 1 19 . 1 1 54 54 ASN N N 54 116.432 116.432 117.835 -1.403 18905 11582 1 19 . 1 1 54 54 ASN HA H 54 4.914 4.914 4.713 0.201 18905 11583 1 19 . 1 1 54 54 ASN C C 54 170.744 170.744 175.114 -4.370 18905 11584 1 19 . 1 1 54 54 ASN CA C 54 52.054 52.054 54.894 -2.840 18905 11585 1 19 . 1 1 54 54 ASN CB C 54 38.952 38.952 39.132 -0.180 18905 11586 1 19 . 1 1 54 54 ASN H H 54 7.996 7.996 7.838 0.158 18905 11587 1 19 . 1 1 55 55 VAL N N 55 118.877 118.877 120.121 -1.244 18905 11588 1 19 . 1 1 55 55 VAL HA H 55 4.891 4.891 4.514 0.377 18905 11589 1 19 . 1 1 55 55 VAL C C 55 171.238 171.238 175.277 -4.039 18905 11590 1 19 . 1 1 55 55 VAL CA C 55 58.709 58.709 62.380 -3.671 18905 11591 1 19 . 1 1 55 55 VAL CB C 55 31.652 31.652 32.024 -0.372 18905 11592 1 19 . 1 1 55 55 VAL H H 55 7.421 7.421 7.278 0.143 18905 11593 1 19 . 1 1 56 56 ARG N N 56 125.757 125.757 129.622 -3.865 18905 11594 1 19 . 1 1 56 56 ARG HA H 56 4.708 4.708 4.650 0.058 18905 11595 1 19 . 1 1 56 56 ARG C C 56 172.321 172.321 174.532 -2.211 18905 11596 1 19 . 1 1 56 56 ARG CA C 56 51.878 51.878 54.343 -2.465 18905 11597 1 19 . 1 1 56 56 ARG CB C 56 30.211 30.211 32.599 -2.388 18905 11598 1 19 . 1 1 56 56 ARG H H 56 9.011 9.011 9.073 -0.062 18905 11599 1 19 . 1 1 57 57 VAL N N 57 125.646 125.646 128.614 -2.968 18905 11600 1 19 . 1 1 57 57 VAL HA H 57 3.878 3.878 4.058 -0.180 18905 11601 1 19 . 1 1 57 57 VAL C C 57 172.129 172.129 174.430 -2.301 18905 11602 1 19 . 1 1 57 57 VAL CA C 57 59.043 59.043 61.191 -2.148 18905 11603 1 19 . 1 1 57 57 VAL CB C 57 30.019 30.019 31.228 -1.209 18905 11604 1 19 . 1 1 57 57 VAL H H 57 8.794 8.794 8.745 0.049 18905 11605 1 19 . 1 1 58 58 ILE N N 58 127.547 127.547 127.856 -0.309 18905 11606 1 19 . 1 1 58 58 ILE HA H 58 4.049 4.049 3.912 0.137 18905 11607 1 19 . 1 1 58 58 ILE C C 58 172.672 172.672 175.338 -2.666 18905 11608 1 19 . 1 1 58 58 ILE CA C 58 57.246 57.246 61.058 -3.812 18905 11609 1 19 . 1 1 58 58 ILE CB C 58 32.839 32.839 37.435 -4.596 18905 11610 1 19 . 1 1 58 58 ILE H H 58 7.259 7.259 7.365 -0.106 18905 11611 1 19 . 1 1 59 59 LYS N N 59 127.231 127.231 124.292 2.939 18905 11612 1 19 . 1 1 59 59 LYS HA H 59 4.532 4.532 4.713 -0.181 18905 11613 1 19 . 1 1 59 59 LYS C C 59 173.119 173.119 175.320 -2.201 18905 11614 1 19 . 1 1 59 59 LYS CA C 59 52.444 52.444 54.389 -1.945 18905 11615 1 19 . 1 1 59 59 LYS CB C 59 32.374 32.374 36.148 -3.774 18905 11616 1 19 . 1 1 59 59 LYS H H 59 8.571 8.571 7.842 0.729 18905 11617 1 19 . 1 1 60 60 ASP N N 60 123.232 123.232 121.249 1.983 18905 11618 1 19 . 1 1 60 60 ASP HA H 60 4.496 4.496 4.603 -0.107 18905 11619 1 19 . 1 1 60 60 ASP C C 60 174.118 174.118 176.312 -2.194 18905 11620 1 19 . 1 1 60 60 ASP CA C 60 50.786 50.786 54.182 -3.396 18905 11621 1 19 . 1 1 60 60 ASP CB C 60 40.058 40.058 42.455 -2.397 18905 11622 1 19 . 1 1 60 60 ASP H H 60 8.527 8.527 8.924 -0.397 18905 11623 1 19 . 1 1 61 61 LYS N N 61 125.977 125.977 120.365 5.612 18905 11624 1 19 . 1 1 61 61 LYS HA H 61 3.918 3.918 4.325 -0.407 18905 11625 1 19 . 1 1 61 61 LYS C C 61 174.696 174.696 177.537 -2.841 18905 11626 1 19 . 1 1 61 61 LYS CA C 61 56.017 56.017 58.330 -2.313 18905 11627 1 19 . 1 1 61 61 LYS CB C 61 29.813 29.813 32.679 -2.866 18905 11628 1 19 . 1 1 61 61 LYS H H 61 8.770 8.770 8.471 0.299 18905 11629 1 19 . 1 1 62 62 GLN N N 62 116.732 116.732 118.216 -1.484 18905 11630 1 19 . 1 1 62 62 GLN HA H 62 4.252 4.252 4.178 0.074 18905 11631 1 19 . 1 1 62 62 GLN C C 62 174.793 174.793 176.723 -1.930 18905 11632 1 19 . 1 1 62 62 GLN CA C 62 55.001 55.001 57.657 -2.656 18905 11633 1 19 . 1 1 62 62 GLN CB C 62 26.516 26.516 29.218 -2.701 18905 11634 1 19 . 1 1 62 62 GLN H H 62 8.538 8.538 8.653 -0.115 18905 11635 1 19 . 1 1 63 63 THR N N 63 108.519 108.519 110.286 -1.767 18905 11636 1 19 . 1 1 63 63 THR HA H 63 4.265 4.265 4.597 -0.332 18905 11637 1 19 . 1 1 63 63 THR CA C 63 59.302 59.302 59.757 -0.455 18905 11638 1 19 . 1 1 63 63 THR CB C 63 67.891 67.891 70.998 -3.107 18905 11639 1 19 . 1 1 63 63 THR H H 63 7.882 7.882 8.408 -0.526 18905 11640 1 19 . 1 1 64 64 GLN N N 64 113.890 113.890 120.572 -6.682 18905 11641 1 19 . 1 1 64 64 GLN HA H 64 3.829 3.829 4.642 -0.813 18905 11642 1 19 . 1 1 64 64 GLN C C 64 172.129 172.129 174.852 -2.723 18905 11643 1 19 . 1 1 64 64 GLN CA C 64 54.560 54.560 54.856 -0.296 18905 11644 1 19 . 1 1 64 64 GLN CB C 64 23.812 23.812 27.973 -4.161 18905 11645 1 19 . 1 1 64 64 GLN H H 64 8.188 8.188 8.647 -0.459 18905 11646 1 19 . 1 1 65 65 LEU N N 65 119.516 119.516 119.569 -0.053 18905 11647 1 19 . 1 1 65 65 LEU HA H 65 4.463 4.463 4.570 -0.107 18905 11648 1 19 . 1 1 65 65 LEU C C 65 174.174 174.174 175.536 -1.362 18905 11649 1 19 . 1 1 65 65 LEU CA C 65 51.024 51.024 52.967 -1.943 18905 11650 1 19 . 1 1 65 65 LEU CB C 65 39.608 39.608 45.456 -5.848 18905 11651 1 19 . 1 1 65 65 LEU H H 65 7.682 7.682 7.512 0.170 18905 11652 1 19 . 1 1 66 66 ASN N N 66 117.776 117.776 118.487 -0.711 18905 11653 1 19 . 1 1 66 66 ASN HA H 66 4.958 4.958 4.787 0.171 18905 11654 1 19 . 1 1 66 66 ASN C C 66 171.913 171.913 176.575 -4.662 18905 11655 1 19 . 1 1 66 66 ASN CA C 66 50.440 50.440 53.421 -2.981 18905 11656 1 19 . 1 1 66 66 ASN CB C 66 36.771 36.771 38.830 -2.059 18905 11657 1 19 . 1 1 66 66 ASN H H 66 8.771 8.771 8.227 0.544 18905 11658 1 19 . 1 1 67 67 ARG N N 67 117.508 117.508 121.024 -3.516 18905 11659 1 19 . 1 1 67 67 ARG HA H 67 4.193 4.193 4.411 -0.218 18905 11660 1 19 . 1 1 67 67 ARG CA C 67 53.615 53.615 56.213 -2.598 18905 11661 1 19 . 1 1 67 67 ARG CB C 67 28.137 28.137 30.147 -2.010 18905 11662 1 19 . 1 1 67 67 ARG H H 67 8.313 8.313 8.107 0.206 18905 11663 1 19 . 1 1 68 68 GLY N N 68 107.904 107.904 107.313 0.591 18905 11664 1 19 . 1 1 68 68 GLY CA C 68 42.842 42.842 45.173 -2.331 18905 11665 1 19 . 1 1 68 68 GLY H H 68 9.437 9.437 8.566 0.871 18905 11666 1 19 . 1 1 69 69 PHE N N 69 113.804 113.804 114.909 -1.105 18905 11667 1 19 . 1 1 69 69 PHE HA H 69 5.754 5.754 5.515 0.239 18905 11668 1 19 . 1 1 69 69 PHE C C 69 170.151 170.151 172.616 -2.465 18905 11669 1 19 . 1 1 69 69 PHE CA C 69 51.625 51.625 54.776 -3.151 18905 11670 1 19 . 1 1 69 69 PHE CB C 69 39.587 39.587 41.501 -1.914 18905 11671 1 19 . 1 1 69 69 PHE H H 69 6.750 6.750 7.219 -0.469 18905 11672 1 19 . 1 1 70 70 ALA N N 70 118.965 118.965 119.546 -0.581 18905 11673 1 19 . 1 1 70 70 ALA HA H 70 4.807 4.807 4.305 0.502 18905 11674 1 19 . 1 1 70 70 ALA C C 70 171.693 171.693 175.044 -3.351 18905 11675 1 19 . 1 1 70 70 ALA CA C 70 47.155 47.155 50.720 -3.565 18905 11676 1 19 . 1 1 70 70 ALA CB C 70 21.153 21.153 22.232 -1.079 18905 11677 1 19 . 1 1 70 70 ALA H H 70 8.526 8.526 7.930 0.596 18905 11678 1 19 . 1 1 71 71 PHE N N 71 117.469 117.469 118.642 -1.173 18905 11679 1 19 . 1 1 71 71 PHE HA H 71 5.537 5.537 5.383 0.154 18905 11680 1 19 . 1 1 71 71 PHE C C 71 172.630 172.630 175.520 -2.890 18905 11681 1 19 . 1 1 71 71 PHE CA C 71 52.609 52.609 56.019 -3.410 18905 11682 1 19 . 1 1 71 71 PHE CB C 71 39.675 39.675 42.242 -2.567 18905 11683 1 19 . 1 1 71 71 PHE H H 71 8.824 8.824 8.547 0.277 18905 11684 1 19 . 1 1 72 72 ILE N N 72 122.867 122.867 121.416 1.451 18905 11685 1 19 . 1 1 72 72 ILE HA H 72 5.022 5.022 4.733 0.289 18905 11686 1 19 . 1 1 72 72 ILE CA C 72 56.881 56.881 60.645 -3.764 18905 11687 1 19 . 1 1 72 72 ILE CB C 72 37.031 37.031 40.836 -3.805 18905 11688 1 19 . 1 1 72 72 ILE H H 72 9.555 9.555 8.434 1.121 18905 11689 1 19 . 1 1 73 73 GLN N N 73 128.422 128.422 126.505 1.917 18905 11690 1 19 . 1 1 73 73 GLN HA H 73 5.170 5.170 4.334 0.836 18905 11691 1 19 . 1 1 73 73 GLN CA C 73 52.252 52.252 56.939 -4.687 18905 11692 1 19 . 1 1 73 73 GLN CB C 73 28.291 28.291 29.658 -1.367 18905 11693 1 19 . 1 1 73 73 GLN H H 73 8.964 8.964 8.295 0.669 18905 11694 1 19 . 1 1 74 74 LEU N N 74 126.707 126.707 123.464 3.243 18905 11695 1 19 . 1 1 74 74 LEU HA H 74 4.789 4.789 4.635 0.154 18905 11696 1 19 . 1 1 74 74 LEU CA C 74 50.617 50.617 53.772 -3.155 18905 11697 1 19 . 1 1 74 74 LEU CB C 74 44.885 44.885 46.424 -1.539 18905 11698 1 19 . 1 1 74 74 LEU H H 74 8.420 8.420 8.068 0.352 18905 11699 1 19 . 1 1 75 75 SER HA H 75 4.284 4.284 4.715 -0.431 18905 11700 1 19 . 1 1 75 75 SER CA C 75 55.390 55.390 58.315 -2.925 18905 11701 1 19 . 1 1 75 75 SER CB C 75 61.275 61.275 63.786 -2.511 18905 11702 1 19 . 1 1 76 76 THR N N 76 116.193 116.193 115.431 0.762 18905 11703 1 19 . 1 1 76 76 THR HA H 76 3.994 3.994 4.333 -0.339 18905 11704 1 19 . 1 1 76 76 THR C C 76 174.630 174.630 176.517 -1.887 18905 11705 1 19 . 1 1 76 76 THR CA C 76 64.225 64.225 65.606 -1.381 18905 11706 1 19 . 1 1 76 76 THR CB C 76 66.003 66.003 68.293 -2.290 18905 11707 1 19 . 1 1 76 76 THR H H 76 8.614 8.614 8.691 -0.077 18905 11708 1 19 . 1 1 77 77 ILE N N 77 120.400 120.400 119.516 0.884 18905 11709 1 19 . 1 1 77 77 ILE HA H 77 3.911 3.911 3.837 0.074 18905 11710 1 19 . 1 1 77 77 ILE C C 77 175.577 175.577 177.719 -2.142 18905 11711 1 19 . 1 1 77 77 ILE CA C 77 61.264 61.264 63.168 -1.904 18905 11712 1 19 . 1 1 77 77 ILE CB C 77 35.379 35.379 36.768 -1.389 18905 11713 1 19 . 1 1 77 77 ILE H H 77 8.044 8.044 8.136 -0.092 18905 11714 1 19 . 1 1 78 78 GLU N N 78 120.562 120.562 119.545 1.017 18905 11715 1 19 . 1 1 78 78 GLU HA H 78 4.062 4.062 4.006 0.056 18905 11716 1 19 . 1 1 78 78 GLU C C 78 176.596 176.596 178.730 -2.134 18905 11717 1 19 . 1 1 78 78 GLU CA C 78 56.355 56.355 59.390 -3.035 18905 11718 1 19 . 1 1 78 78 GLU CB C 78 27.668 27.668 28.785 -1.117 18905 11719 1 19 . 1 1 78 78 GLU H H 78 7.548 7.548 8.503 -0.955 18905 11720 1 19 . 1 1 79 79 ALA N N 79 122.789 122.789 121.931 0.858 18905 11721 1 19 . 1 1 79 79 ALA HA H 79 3.923 3.923 3.930 -0.007 18905 11722 1 19 . 1 1 79 79 ALA C C 79 175.736 175.736 178.913 -3.177 18905 11723 1 19 . 1 1 79 79 ALA CA C 79 52.649 52.649 55.487 -2.838 18905 11724 1 19 . 1 1 79 79 ALA CB C 79 15.305 15.305 18.271 -2.966 18905 11725 1 19 . 1 1 79 79 ALA H H 79 9.279 9.279 8.547 0.732 18905 11726 1 19 . 1 1 80 80 ALA N N 80 118.643 118.643 120.964 -2.321 18905 11727 1 19 . 1 1 80 80 ALA HA H 80 4.001 4.001 3.717 0.284 18905 11728 1 19 . 1 1 80 80 ALA C C 80 177.943 177.943 179.730 -1.787 18905 11729 1 19 . 1 1 80 80 ALA CA C 80 52.521 52.521 54.921 -2.400 18905 11730 1 19 . 1 1 80 80 ALA CB C 80 15.281 15.281 18.251 -2.970 18905 11731 1 19 . 1 1 80 80 ALA H H 80 7.688 7.688 7.722 -0.034 18905 11732 1 19 . 1 1 81 81 GLN N N 81 116.877 116.877 118.116 -1.239 18905 11733 1 19 . 1 1 81 81 GLN HA H 81 4.015 4.015 4.042 -0.027 18905 11734 1 19 . 1 1 81 81 GLN CA C 81 55.760 55.760 58.438 -2.678 18905 11735 1 19 . 1 1 81 81 GLN CB C 81 25.786 25.786 28.500 -2.714 18905 11736 1 19 . 1 1 81 81 GLN H H 81 7.593 7.593 8.030 -0.437 18905 11737 1 19 . 1 1 82 82 LEU N N 82 119.946 119.946 120.767 -0.821 18905 11738 1 19 . 1 1 82 82 LEU HA H 82 4.121 4.121 4.061 0.060 18905 11739 1 19 . 1 1 82 82 LEU C C 82 175.358 175.358 179.355 -3.997 18905 11740 1 19 . 1 1 82 82 LEU CA C 82 54.781 54.781 56.785 -2.004 18905 11741 1 19 . 1 1 82 82 LEU CB C 82 38.240 38.240 40.712 -2.472 18905 11742 1 19 . 1 1 82 82 LEU H H 82 8.258 8.258 8.125 0.133 18905 11743 1 19 . 1 1 83 83 LEU N N 83 119.288 119.288 118.974 0.314 18905 11744 1 19 . 1 1 83 83 LEU HA H 83 3.585 3.585 3.738 -0.153 18905 11745 1 19 . 1 1 83 83 LEU C C 83 175.365 175.365 178.426 -3.061 18905 11746 1 19 . 1 1 83 83 LEU CA C 83 56.142 56.142 58.441 -2.299 18905 11747 1 19 . 1 1 83 83 LEU CB C 83 38.875 38.875 41.595 -2.720 18905 11748 1 19 . 1 1 83 83 LEU H H 83 8.407 8.407 7.841 0.566 18905 11749 1 19 . 1 1 84 84 GLN N N 84 115.391 115.391 117.790 -2.399 18905 11750 1 19 . 1 1 84 84 GLN HA H 84 3.878 3.878 4.013 -0.135 18905 11751 1 19 . 1 1 84 84 GLN C C 84 176.472 176.472 177.820 -1.348 18905 11752 1 19 . 1 1 84 84 GLN CA C 84 56.142 56.142 58.428 -2.286 18905 11753 1 19 . 1 1 84 84 GLN CB C 84 25.733 25.733 28.551 -2.818 18905 11754 1 19 . 1 1 84 84 GLN H H 84 7.347 7.347 7.652 -0.305 18905 11755 1 19 . 1 1 85 85 ILE N N 85 119.593 119.593 119.155 0.438 18905 11756 1 19 . 1 1 85 85 ILE HA H 85 3.607 3.607 3.740 -0.133 18905 11757 1 19 . 1 1 85 85 ILE CA C 85 61.779 61.779 64.078 -2.299 18905 11758 1 19 . 1 1 85 85 ILE CB C 85 35.948 35.948 37.949 -2.001 18905 11759 1 19 . 1 1 85 85 ILE H H 85 7.650 7.650 7.474 0.176 18905 11760 1 19 . 1 1 86 86 LEU N N 86 116.537 116.537 119.430 -2.893 18905 11761 1 19 . 1 1 86 86 LEU HA H 86 3.757 3.757 3.980 -0.223 18905 11762 1 19 . 1 1 86 86 LEU C C 86 177.610 177.610 179.020 -1.410 18905 11763 1 19 . 1 1 86 86 LEU CA C 86 54.521 54.521 57.524 -3.003 18905 11764 1 19 . 1 1 86 86 LEU CB C 86 39.226 39.226 41.171 -1.945 18905 11765 1 19 . 1 1 86 86 LEU H H 86 8.410 8.410 7.156 1.254 18905 11766 1 19 . 1 1 87 87 GLN N N 87 115.959 115.959 116.305 -0.346 18905 11767 1 19 . 1 1 87 87 GLN HA H 87 4.009 4.009 4.153 -0.144 18905 11768 1 19 . 1 1 87 87 GLN C C 87 174.156 174.156 176.300 -2.144 18905 11769 1 19 . 1 1 87 87 GLN CA C 87 55.735 55.735 57.525 -1.790 18905 11770 1 19 . 1 1 87 87 GLN CB C 87 25.516 25.516 28.222 -2.706 18905 11771 1 19 . 1 1 87 87 GLN H H 87 8.406 8.406 7.914 0.492 18905 11772 1 19 . 1 1 88 88 ALA N N 88 120.044 120.044 120.787 -0.743 18905 11773 1 19 . 1 1 88 88 ALA HA H 88 4.338 4.338 4.498 -0.160 18905 11774 1 19 . 1 1 88 88 ALA C C 88 174.373 174.373 176.197 -1.824 18905 11775 1 19 . 1 1 88 88 ALA CA C 88 48.933 48.933 52.267 -3.334 18905 11776 1 19 . 1 1 88 88 ALA CB C 88 16.681 16.681 20.351 -3.670 18905 11777 1 19 . 1 1 88 88 ALA H H 88 7.110 7.110 7.622 -0.512 18905 11778 1 19 . 1 1 89 89 LEU N N 89 119.696 119.696 117.041 2.655 18905 11779 1 19 . 1 1 89 89 LEU HA H 89 3.929 3.929 4.884 -0.955 18905 11780 1 19 . 1 1 89 89 LEU C C 89 175.387 175.387 174.679 0.708 18905 11781 1 19 . 1 1 89 89 LEU CA C 89 53.364 53.364 54.297 -0.933 18905 11782 1 19 . 1 1 89 89 LEU CB C 89 39.775 39.775 44.048 -4.273 18905 11783 1 19 . 1 1 89 89 LEU H H 89 6.693 6.693 7.696 -1.003 18905 11784 1 19 . 1 1 90 90 HIS N N 90 120.136 120.136 115.616 4.520 18905 11785 1 19 . 1 1 90 90 HIS HA H 90 4.419 4.419 5.018 -0.599 18905 11786 1 19 . 1 1 90 90 HIS CA C 90 50.226 50.226 52.956 -2.731 18905 11787 1 19 . 1 1 90 90 HIS CB C 90 27.853 27.853 30.105 -2.252 18905 11788 1 19 . 1 1 90 90 HIS H H 90 8.299 8.299 7.689 0.610 18905 11789 1 19 . 1 1 91 91 PRO HA H 91 4.367 4.367 4.789 -0.422 18905 11790 1 19 . 1 1 91 91 PRO CA C 91 60.550 60.550 61.452 -0.902 18905 11791 1 19 . 1 1 91 91 PRO CB C 91 29.416 29.416 31.812 -2.396 18905 11792 1 19 . 1 1 92 92 PRO HA H 92 4.815 4.815 4.429 0.386 18905 11793 1 19 . 1 1 92 92 PRO CA C 92 59.812 59.812 63.664 -3.852 18905 11794 1 19 . 1 1 92 92 PRO CB C 92 30.119 30.119 32.183 -2.064 18905 11795 1 19 . 1 1 93 93 LEU N N 93 121.469 121.469 121.165 0.304 18905 11796 1 19 . 1 1 93 93 LEU HA H 93 3.954 3.954 4.313 -0.359 18905 11797 1 19 . 1 1 93 93 LEU CA C 93 53.500 53.500 55.968 -2.468 18905 11798 1 19 . 1 1 93 93 LEU CB C 93 39.889 39.889 40.908 -1.019 18905 11799 1 19 . 1 1 93 93 LEU H H 93 8.404 8.404 8.192 0.212 18905 11800 1 19 . 1 1 94 94 THR HA H 94 5.276 5.276 4.677 0.599 18905 11801 1 19 . 1 1 94 94 THR CA C 94 57.077 57.077 60.879 -3.802 18905 11802 1 19 . 1 1 94 94 THR CB C 94 69.076 69.076 68.823 0.253 18905 11803 1 19 . 1 1 95 95 ILE N N 95 121.239 121.239 124.584 -3.345 18905 11804 1 19 . 1 1 95 95 ILE HA H 95 4.184 4.184 3.960 0.224 18905 11805 1 19 . 1 1 95 95 ILE CA C 95 58.054 58.054 61.813 -3.759 18905 11806 1 19 . 1 1 95 95 ILE CB C 95 37.534 37.534 38.682 -1.148 18905 11807 1 19 . 1 1 95 95 ILE H H 95 8.317 8.317 8.117 0.200 18905 11808 1 19 . 1 1 96 96 ASP N N 96 130.909 130.909 128.670 2.239 18905 11809 1 19 . 1 1 96 96 ASP HA H 96 4.292 4.292 4.240 0.052 18905 11810 1 19 . 1 1 96 96 ASP CA C 96 53.001 53.001 54.945 -1.944 18905 11811 1 19 . 1 1 96 96 ASP CB C 96 37.114 37.114 40.269 -3.155 18905 11812 1 19 . 1 1 96 96 ASP H H 96 9.837 9.837 8.952 0.885 18905 11813 1 19 . 1 1 97 97 GLY N N 97 102.578 102.578 104.273 -1.695 18905 11814 1 19 . 1 1 97 97 GLY C C 97 170.992 170.992 174.281 -3.289 18905 11815 1 19 . 1 1 97 97 GLY CA C 97 42.754 42.754 45.256 -2.502 18905 11816 1 19 . 1 1 97 97 GLY H H 97 8.638 8.638 7.854 0.784 18905 11817 1 19 . 1 1 98 98 LYS N N 98 120.330 120.330 120.966 -0.636 18905 11818 1 19 . 1 1 98 98 LYS HA H 98 4.629 4.629 4.621 0.008 18905 11819 1 19 . 1 1 98 98 LYS C C 98 172.675 172.675 175.348 -2.673 18905 11820 1 19 . 1 1 98 98 LYS CA C 98 50.304 50.304 55.251 -4.947 18905 11821 1 19 . 1 1 98 98 LYS CB C 98 31.136 31.136 34.169 -3.033 18905 11822 1 19 . 1 1 98 98 LYS H H 98 7.440 7.440 8.126 -0.686 18905 11823 1 19 . 1 1 99 99 THR N N 99 119.612 119.612 110.853 8.759 18905 11824 1 19 . 1 1 99 99 THR HA H 99 4.356 4.356 4.613 -0.257 18905 11825 1 19 . 1 1 99 99 THR C C 99 171.511 171.511 172.929 -1.418 18905 11826 1 19 . 1 1 99 99 THR CA C 99 60.382 60.382 59.766 0.616 18905 11827 1 19 . 1 1 99 99 THR CB C 99 65.967 65.967 71.688 -5.721 18905 11828 1 19 . 1 1 99 99 THR H H 99 8.626 8.626 8.246 0.380 18905 11829 1 19 . 1 1 100 100 ILE N N 100 129.389 129.389 120.272 9.117 18905 11830 1 19 . 1 1 100 100 ILE HA H 100 4.358 4.358 4.444 -0.086 18905 11831 1 19 . 1 1 100 100 ILE C C 100 172.710 172.710 175.144 -2.434 18905 11832 1 19 . 1 1 100 100 ILE CA C 100 55.202 55.202 59.072 -3.870 18905 11833 1 19 . 1 1 100 100 ILE CB C 100 34.925 34.925 38.215 -3.290 18905 11834 1 19 . 1 1 100 100 ILE H H 100 8.463 8.463 8.340 0.123 18905 11835 1 19 . 1 1 101 101 ASN N N 101 123.767 123.767 124.254 -0.487 18905 11836 1 19 . 1 1 101 101 ASN HA H 101 4.904 4.904 4.824 0.080 18905 11837 1 19 . 1 1 101 101 ASN C C 101 170.860 170.860 174.524 -3.664 18905 11838 1 19 . 1 1 101 101 ASN CA C 101 49.884 49.884 52.435 -2.551 18905 11839 1 19 . 1 1 101 101 ASN CB C 101 38.364 38.364 40.833 -2.469 18905 11840 1 19 . 1 1 101 101 ASN H H 101 7.878 7.878 8.897 -1.019 18905 11841 1 19 . 1 1 102 102 VAL N N 102 122.207 122.207 118.929 3.278 18905 11842 1 19 . 1 1 102 102 VAL HA H 102 4.933 4.933 4.659 0.274 18905 11843 1 19 . 1 1 102 102 VAL C C 102 175.222 175.222 174.192 1.030 18905 11844 1 19 . 1 1 102 102 VAL CA C 102 57.981 57.981 60.868 -2.887 18905 11845 1 19 . 1 1 102 102 VAL CB C 102 31.183 31.183 35.119 -3.936 18905 11846 1 19 . 1 1 102 102 VAL H H 102 8.503 8.503 8.335 0.168 18905 11847 1 19 . 1 1 103 103 GLU N N 103 124.079 124.079 129.027 -4.948 18905 11848 1 19 . 1 1 103 103 GLU HA H 103 4.557 4.557 4.727 -0.170 18905 11849 1 19 . 1 1 103 103 GLU CA C 103 51.772 51.772 54.972 -3.200 18905 11850 1 19 . 1 1 103 103 GLU CB C 103 31.226 31.226 34.162 -2.936 18905 11851 1 19 . 1 1 103 103 GLU H H 103 8.627 8.627 8.685 -0.058 18905 11852 1 19 . 1 1 104 104 PHE N N 104 121.287 121.287 122.228 -0.941 18905 11853 1 19 . 1 1 104 104 PHE HA H 104 5.047 5.047 4.987 0.060 18905 11854 1 19 . 1 1 104 104 PHE C C 104 173.023 173.023 175.028 -2.005 18905 11855 1 19 . 1 1 104 104 PHE CA C 104 55.305 55.305 55.552 -0.247 18905 11856 1 19 . 1 1 104 104 PHE CB C 104 38.342 38.342 40.750 -2.408 18905 11857 1 19 . 1 1 104 104 PHE H H 104 8.778 8.778 8.713 0.065 18905 11858 1 19 . 1 1 105 105 ALA N N 105 127.703 127.703 130.951 -3.248 18905 11859 1 19 . 1 1 105 105 ALA HA H 105 4.278 4.278 4.281 -0.003 18905 11860 1 19 . 1 1 105 105 ALA C C 105 172.939 172.939 176.648 -3.709 18905 11861 1 19 . 1 1 105 105 ALA CA C 105 48.936 48.936 52.065 -3.129 18905 11862 1 19 . 1 1 105 105 ALA CB C 105 17.822 17.822 17.992 -0.171 18905 11863 1 19 . 1 1 105 105 ALA H H 105 8.630 8.630 8.501 0.129 18905 11864 1 19 . 1 1 106 106 LYS N N 106 121.259 121.259 119.944 1.315 18905 11865 1 19 . 1 1 106 106 LYS HA H 106 4.211 4.211 4.106 0.105 18905 11866 1 19 . 1 1 106 106 LYS C C 106 174.939 174.939 177.183 -2.244 18905 11867 1 19 . 1 1 106 106 LYS CA C 106 52.995 52.995 56.649 -3.654 18905 11868 1 19 . 1 1 106 106 LYS CB C 106 30.290 30.290 32.513 -2.223 18905 11869 1 19 . 1 1 106 106 LYS H H 106 8.289 8.289 6.846 1.443 18905 11870 1 19 . 1 1 107 107 GLY N N 107 111.965 111.965 110.414 1.551 18905 11871 1 19 . 1 1 107 107 GLY C C 107 171.215 171.215 173.440 -2.225 18905 11872 1 19 . 1 1 107 107 GLY CA C 107 42.651 42.651 43.841 -1.190 18905 11873 1 19 . 1 1 107 107 GLY H H 107 8.921 8.921 7.843 1.078 18905 11874 1 19 . 1 1 108 108 SER N N 108 114.479 114.479 114.364 0.115 18905 11875 1 19 . 1 1 108 108 SER HA H 108 4.294 4.294 4.621 -0.327 18905 11876 1 19 . 1 1 108 108 SER C C 108 172.040 172.040 174.081 -2.041 18905 11877 1 19 . 1 1 108 108 SER CA C 108 55.336 55.336 58.276 -2.940 18905 11878 1 19 . 1 1 108 108 SER H H 108 8.197 8.197 8.369 -0.172 18905 11879 1 19 . 1 1 109 109 LYS N N 109 123.374 123.374 119.215 4.159 18905 11880 1 19 . 1 1 109 109 LYS HA H 109 4.198 4.198 4.774 -0.576 18905 11881 1 19 . 1 1 109 109 LYS C C 109 173.967 173.967 174.702 -0.735 18905 11882 1 19 . 1 1 109 109 LYS CA C 109 53.730 53.730 55.221 -1.491 18905 11883 1 19 . 1 1 109 109 LYS CB C 109 30.137 30.137 34.660 -4.524 18905 11884 1 19 . 1 1 109 109 LYS H H 109 8.306 8.306 8.759 -0.453 18905 11885 1 19 . 1 1 110 110 ARG N N 110 134.189 134.189 120.013 14.176 18905 11886 1 19 . 1 1 110 110 ARG HA H 110 4.542 4.542 4.677 -0.135 18905 11887 1 19 . 1 1 110 110 ARG C C 110 173.119 173.119 174.042 -0.923 18905 11888 1 19 . 1 1 110 110 ARG CA C 110 52.474 52.474 55.652 -3.178 18905 11889 1 19 . 1 1 110 110 ARG CB C 110 32.296 32.296 32.909 -0.613 18905 11890 1 19 . 1 1 111 111 ASP N N 111 123.210 123.210 120.576 2.634 18905 11891 1 19 . 1 1 111 111 ASP HA H 111 4.519 4.519 5.106 -0.587 18905 11892 1 19 . 1 1 111 111 ASP C C 111 174.187 174.187 174.369 -0.182 18905 11893 1 19 . 1 1 111 111 ASP CA C 111 52.307 52.307 53.728 -1.421 18905 11894 1 19 . 1 1 111 111 ASP CB C 111 40.206 40.206 42.974 -2.768 18905 11895 1 19 . 1 1 111 111 ASP H H 111 8.523 8.523 8.369 0.154 18905 11896 1 19 . 1 1 112 112 MET HA H 112 4.330 4.330 4.712 -0.382 18905 11897 1 19 . 1 1 112 112 MET CA C 112 53.074 53.074 55.382 -2.308 18905 11898 1 19 . 1 1 112 112 MET CB C 112 30.057 30.057 33.840 -3.783 18905 11899 1 19 . 1 1 113 113 ALA N N 113 124.061 124.061 127.009 -2.948 18905 11900 1 19 . 1 1 113 113 ALA HA H 113 4.229 4.229 5.311 -1.082 18905 11901 1 19 . 1 1 113 113 ALA C C 113 175.243 175.243 175.572 -0.329 18905 11902 1 19 . 1 1 113 113 ALA CA C 113 49.967 49.967 51.642 -1.675 18905 11903 1 19 . 1 1 113 113 ALA CB C 113 16.436 16.436 21.382 -4.946 18905 11904 1 19 . 1 1 113 113 ALA H H 113 8.214 8.214 8.729 -0.515 18905 11905 1 19 . 1 1 114 114 SER N N 114 114.286 114.286 116.518 -2.232 18905 11906 1 19 . 1 1 114 114 SER HA H 114 4.376 4.376 4.824 -0.448 18905 11907 1 19 . 1 1 114 114 SER CA C 114 55.596 55.596 58.198 -2.602 18905 11908 1 19 . 1 1 114 114 SER CB C 114 61.009 61.009 64.453 -3.444 18905 11909 1 19 . 1 1 114 114 SER H H 114 8.124 8.124 8.609 -0.485 18905 11910 1 19 . 1 1 119 119 ARG N N 119 122.813 122.813 123.630 -0.817 18905 11911 1 19 . 1 1 119 119 ARG HA H 119 4.294 4.294 4.436 -0.142 18905 11912 1 19 . 1 1 119 119 ARG C C 119 173.654 173.654 175.863 -2.209 18905 11913 1 19 . 1 1 119 119 ARG CA C 119 53.701 53.701 55.015 -1.314 18905 11914 1 19 . 1 1 119 119 ARG CB C 119 28.140 28.140 28.451 -0.311 18905 11915 1 19 . 1 1 119 119 ARG H H 119 8.246 8.246 8.154 0.092 18905 11916 1 19 . 1 1 120 120 ILE N N 120 121.624 121.624 119.107 2.517 18905 11917 1 19 . 1 1 120 120 ILE HA H 120 4.099 4.099 4.270 -0.171 18905 11918 1 19 . 1 1 120 120 ILE C C 120 173.651 173.651 176.066 -2.415 18905 11919 1 19 . 1 1 120 120 ILE CA C 120 58.593 58.593 61.533 -2.940 18905 11920 1 19 . 1 1 120 120 ILE CB C 120 36.091 36.091 38.803 -2.712 18905 11921 1 19 . 1 1 120 120 ILE H H 120 8.084 8.084 8.094 -0.010 18905 11922 1 19 . 1 1 121 121 SER N N 121 119.953 119.953 115.483 4.470 18905 11923 1 19 . 1 1 121 121 SER HA H 121 4.378 4.378 5.064 -0.686 18905 11924 1 19 . 1 1 121 121 SER C C 121 170.780 170.780 172.707 -1.927 18905 11925 1 19 . 1 1 121 121 SER CA C 121 55.506 55.506 57.724 -2.218 18905 11926 1 19 . 1 1 121 121 SER CB C 121 61.571 61.571 65.284 -3.713 18905 11927 1 19 . 1 1 121 121 SER H H 121 8.300 8.300 8.802 -0.502 18905 11928 1 19 . 1 1 123 123 ALA N N 123 119.892 119.892 122.244 -2.352 18905 11929 1 19 . 1 1 123 123 ALA HA H 123 4.102 4.102 4.720 -0.618 18905 11930 1 19 . 1 1 123 123 ALA CA C 123 58.473 58.473 52.308 6.165 18905 11931 1 19 . 1 1 123 123 ALA H H 123 8.305 8.305 8.412 -0.107 18905 11932 1 19 . 1 1 124 124 SER N N 124 122.264 122.264 113.409 8.855 18905 11933 1 19 . 1 1 124 124 SER HA H 124 4.384 4.384 5.105 -0.721 18905 11934 1 19 . 1 1 124 124 SER CA C 124 55.632 55.632 57.785 -2.153 18905 11935 1 19 . 1 1 124 124 SER CB C 124 60.925 60.925 64.345 -3.420 18905 11936 1 19 . 1 1 124 124 SER H H 124 8.353 8.353 8.314 0.039 18905 11937 1 19 . 1 1 125 125 VAL N N 125 121.433 121.433 121.398 0.035 18905 11938 1 19 . 1 1 125 125 VAL HA H 125 4.073 4.073 4.723 -0.650 18905 11939 1 19 . 1 1 125 125 VAL C C 125 173.240 173.240 174.296 -1.056 18905 11940 1 19 . 1 1 125 125 VAL CA C 125 59.588 59.588 62.080 -2.492 18905 11941 1 19 . 1 1 125 125 VAL CB C 125 30.198 30.198 34.156 -3.958 18905 11942 1 19 . 1 1 125 125 VAL H H 125 8.014 8.014 8.635 -0.621 18905 11943 1 19 . 1 1 126 126 ALA N N 126 127.185 127.185 128.197 -1.012 18905 11944 1 19 . 1 1 126 126 ALA HA H 126 4.278 4.278 4.793 -0.515 18905 11945 1 19 . 1 1 126 126 ALA C C 126 175.118 175.118 176.209 -1.091 18905 11946 1 19 . 1 1 126 126 ALA CA C 126 49.919 49.919 51.980 -2.061 18905 11947 1 19 . 1 1 126 126 ALA CB C 126 16.532 16.532 20.861 -4.329 18905 11948 1 19 . 1 1 126 126 ALA H H 126 8.277 8.277 8.289 -0.012 18905 11949 1 19 . 1 1 127 127 SER N N 127 115.148 115.148 115.468 -0.320 18905 11950 1 19 . 1 1 127 127 SER HA H 127 4.420 4.420 4.529 -0.109 18905 11951 1 19 . 1 1 127 127 SER C C 127 172.168 172.168 174.037 -1.869 18905 11952 1 19 . 1 1 127 127 SER CA C 127 55.770 55.770 58.453 -2.683 18905 11953 1 19 . 1 1 127 127 SER CB C 127 58.992 58.992 63.430 -4.438 18905 11954 1 19 . 1 1 127 127 SER H H 127 8.249 8.249 8.891 -0.642 18905 11955 1 19 . 1 1 128 128 THR N N 128 115.498 115.498 115.769 -0.271 18905 11956 1 19 . 1 1 128 128 THR C C 128 171.392 171.392 174.097 -2.705 18905 11957 1 19 . 1 1 128 128 THR CA C 128 59.083 59.083 61.908 -2.825 18905 11958 1 19 . 1 1 128 128 THR H H 128 8.050 8.050 7.971 0.079 18905 11959 1 19 . 1 1 129 129 ALA N N 129 126.543 126.543 124.814 1.729 18905 11960 1 19 . 1 1 129 129 ALA HA H 129 4.236 4.236 5.065 -0.829 18905 11961 1 19 . 1 1 129 129 ALA C C 129 174.650 174.650 175.784 -1.134 18905 11962 1 19 . 1 1 129 129 ALA CA C 129 49.794 49.794 51.305 -1.511 18905 11963 1 19 . 1 1 129 129 ALA CB C 129 16.538 16.538 20.417 -3.879 18905 11964 1 19 . 1 1 129 129 ALA H H 129 8.160 8.160 8.625 -0.465 18905 11965 1 19 . 1 1 130 130 ILE N N 130 120.371 120.371 119.490 0.881 18905 11966 1 19 . 1 1 130 130 ILE HA H 130 4.099 4.099 4.925 -0.826 18905 11967 1 19 . 1 1 130 130 ILE C C 130 173.651 173.651 176.439 -2.788 18905 11968 1 19 . 1 1 130 130 ILE CA C 130 58.513 58.513 60.915 -2.402 18905 11969 1 19 . 1 1 130 130 ILE CB C 130 36.091 36.091 39.689 -3.598 18905 11970 1 19 . 1 1 130 130 ILE H H 130 8.043 8.043 8.973 -0.930 18905 11971 1 20 . 1 1 4 4 GLY N N 4 110.117 110.117 107.161 2.956 18905 11972 1 20 . 1 1 4 4 GLY C C 4 171.413 171.413 172.849 -1.436 18905 11973 1 20 . 1 1 4 4 GLY CA C 4 42.667 42.667 44.943 -2.276 18905 11974 1 20 . 1 1 4 4 GLY H H 4 8.391 8.391 8.167 0.224 18905 11975 1 20 . 1 1 5 5 VAL N N 5 119.501 119.501 118.614 0.887 18905 11976 1 20 . 1 1 5 5 VAL HA H 5 4.018 4.018 4.596 -0.578 18905 11977 1 20 . 1 1 5 5 VAL C C 5 173.738 173.738 174.513 -0.775 18905 11978 1 20 . 1 1 5 5 VAL CA C 5 59.923 59.923 61.859 -1.937 18905 11979 1 20 . 1 1 5 5 VAL CB C 5 30.111 30.111 32.736 -2.625 18905 11980 1 20 . 1 1 5 5 VAL H H 5 7.951 7.951 7.974 -0.023 18905 11981 1 20 . 1 1 6 6 LEU N N 6 125.484 125.484 124.443 1.041 18905 11982 1 20 . 1 1 6 6 LEU HA H 6 4.280 4.280 5.005 -0.725 18905 11983 1 20 . 1 1 6 6 LEU C C 6 174.708 174.708 175.401 -0.693 18905 11984 1 20 . 1 1 6 6 LEU CA C 6 52.535 52.535 54.382 -1.847 18905 11985 1 20 . 1 1 6 6 LEU CB C 6 39.586 39.586 44.243 -4.657 18905 11986 1 20 . 1 1 6 6 LEU H H 6 8.248 8.248 8.198 0.050 18905 11987 1 20 . 1 1 7 7 ALA N N 7 124.939 124.939 124.493 0.446 18905 11988 1 20 . 1 1 7 7 ALA HA H 7 4.234 4.234 4.901 -0.667 18905 11989 1 20 . 1 1 7 7 ALA C C 7 174.865 174.865 176.208 -1.343 18905 11990 1 20 . 1 1 7 7 ALA CA C 7 50.136 50.136 51.602 -1.466 18905 11991 1 20 . 1 1 7 7 ALA CB C 7 16.500 16.500 20.592 -4.092 18905 11992 1 20 . 1 1 7 7 ALA H H 7 8.241 8.241 8.858 -0.617 18905 11993 1 20 . 1 1 8 8 SER N N 8 117.901 117.901 117.280 0.621 18905 11994 1 20 . 1 1 8 8 SER HA H 8 4.377 4.377 4.509 -0.132 18905 11995 1 20 . 1 1 8 8 SER C C 8 172.221 172.221 173.816 -1.595 18905 11996 1 20 . 1 1 8 8 SER CA C 8 56.008 56.008 58.966 -2.958 18905 11997 1 20 . 1 1 8 8 SER CB C 8 61.008 61.008 63.860 -2.852 18905 11998 1 20 . 1 1 8 8 SER H H 8 8.347 8.347 8.832 -0.485 18905 11999 1 20 . 1 1 9 9 GLN N N 9 122.019 122.019 120.990 1.029 18905 12000 1 20 . 1 1 9 9 GLN HA H 9 4.302 4.302 4.730 -0.428 18905 12001 1 20 . 1 1 9 9 GLN C C 9 173.160 173.160 174.349 -1.189 18905 12002 1 20 . 1 1 9 9 GLN CA C 9 53.470 53.470 54.981 -1.511 18905 12003 1 20 . 1 1 9 9 GLN CB C 9 26.663 26.663 30.954 -4.292 18905 12004 1 20 . 1 1 9 9 GLN H H 9 8.240 8.240 8.686 -0.446 18905 12005 1 20 . 1 1 10 10 ALA N N 10 124.490 124.490 125.944 -1.454 18905 12006 1 20 . 1 1 10 10 ALA HA H 10 4.238 4.238 4.408 -0.170 18905 12007 1 20 . 1 1 10 10 ALA C C 10 175.142 175.142 176.326 -1.184 18905 12008 1 20 . 1 1 10 10 ALA CA C 10 50.121 50.121 52.011 -1.889 18905 12009 1 20 . 1 1 10 10 ALA CB C 10 16.322 16.322 19.483 -3.161 18905 12010 1 20 . 1 1 10 10 ALA H H 10 8.132 8.132 8.517 -0.385 18905 12011 1 20 . 1 1 11 11 LEU N N 11 120.785 120.785 119.813 0.972 18905 12012 1 20 . 1 1 11 11 LEU HA H 11 4.278 4.278 4.619 -0.341 18905 12013 1 20 . 1 1 11 11 LEU C C 11 174.929 174.929 176.697 -1.768 18905 12014 1 20 . 1 1 11 11 LEU CA C 11 52.612 52.612 54.539 -1.927 18905 12015 1 20 . 1 1 11 11 LEU CB C 11 39.647 39.647 43.012 -3.365 18905 12016 1 20 . 1 1 11 11 LEU H H 11 8.088 8.088 8.345 -0.257 18905 12017 1 20 . 1 1 12 12 SER N N 12 116.121 116.121 115.680 0.441 18905 12018 1 20 . 1 1 12 12 SER C C 12 171.977 171.977 173.416 -1.439 18905 12019 1 20 . 1 1 12 12 SER CA C 12 55.621 55.621 57.705 -2.084 18905 12020 1 20 . 1 1 12 12 SER CB C 12 56.041 56.041 65.653 -9.612 18905 12021 1 20 . 1 1 12 12 SER H H 12 8.170 8.170 8.511 -0.341 18905 12022 1 20 . 1 1 13 13 GLN N N 13 122.139 122.139 119.025 3.114 18905 12023 1 20 . 1 1 13 13 GLN HA H 13 4.312 4.312 4.899 -0.587 18905 12024 1 20 . 1 1 13 13 GLN CA C 13 54.059 54.059 54.985 -0.926 18905 12025 1 20 . 1 1 13 13 GLN H H 13 8.368 8.368 8.870 -0.502 18905 12026 1 20 . 1 1 14 14 GLY N N 14 109.259 109.259 109.402 -0.143 18905 12027 1 20 . 1 1 14 14 GLY CA C 14 42.970 42.970 44.571 -1.601 18905 12028 1 20 . 1 1 14 14 GLY H H 14 8.378 8.378 8.339 0.039 18905 12029 1 20 . 1 1 15 15 SER N N 15 115.486 115.486 116.296 -0.810 18905 12030 1 20 . 1 1 15 15 SER HA H 15 4.378 4.378 4.792 -0.414 18905 12031 1 20 . 1 1 15 15 SER CA C 15 55.853 55.853 57.678 -1.825 18905 12032 1 20 . 1 1 15 15 SER CB C 15 59.406 59.406 64.777 -5.371 18905 12033 1 20 . 1 1 15 15 SER H H 15 8.085 8.085 8.455 -0.370 18905 12034 1 20 . 1 1 16 16 GLU N N 16 120.501 120.501 125.470 -4.969 18905 12035 1 20 . 1 1 16 16 GLU HA H 16 4.664 4.664 4.600 0.064 18905 12036 1 20 . 1 1 16 16 GLU CA C 16 50.628 50.628 55.821 -5.193 18905 12037 1 20 . 1 1 16 16 GLU CB C 16 36.442 36.442 30.084 6.358 18905 12038 1 20 . 1 1 16 16 GLU H H 16 8.376 8.376 8.834 -0.458 18905 12039 1 20 . 1 1 17 17 PRO CA C 17 65.700 65.700 63.847 1.853 18905 12040 1 20 . 1 1 22 22 ALA N N 22 124.130 124.130 124.257 -0.127 18905 12041 1 20 . 1 1 22 22 ALA HA H 22 4.178 4.178 4.689 -0.511 18905 12042 1 20 . 1 1 22 22 ALA CA C 22 49.746 49.746 51.876 -2.130 18905 12043 1 20 . 1 1 22 22 ALA CB C 22 16.789 16.789 21.624 -4.835 18905 12044 1 20 . 1 1 22 22 ALA H H 22 8.096 8.096 7.765 0.331 18905 12045 1 20 . 1 1 23 23 ASN N N 23 117.516 117.516 117.872 -0.356 18905 12046 1 20 . 1 1 23 23 ASN HA H 23 4.672 4.672 4.702 -0.030 18905 12047 1 20 . 1 1 23 23 ASN C C 23 171.179 171.179 173.650 -2.471 18905 12048 1 20 . 1 1 23 23 ASN CA C 23 50.084 50.084 53.395 -3.311 18905 12049 1 20 . 1 1 23 23 ASN CB C 23 36.737 36.737 40.383 -3.646 18905 12050 1 20 . 1 1 23 23 ASN H H 23 8.037 8.037 8.646 -0.609 18905 12051 1 20 . 1 1 24 24 ASP N N 24 118.387 118.387 118.721 -0.334 18905 12052 1 20 . 1 1 24 24 ASP HA H 24 4.676 4.676 4.765 -0.089 18905 12053 1 20 . 1 1 24 24 ASP CA C 24 50.660 50.660 53.168 -2.508 18905 12054 1 20 . 1 1 24 24 ASP CB C 24 40.670 40.670 41.651 -0.981 18905 12055 1 20 . 1 1 24 24 ASP H H 24 8.198 8.198 7.926 0.272 18905 12056 1 20 . 1 1 25 25 THR N N 25 114.224 114.224 116.725 -2.501 18905 12057 1 20 . 1 1 25 25 THR HA H 25 5.275 5.275 4.990 0.285 18905 12058 1 20 . 1 1 25 25 THR CA C 25 59.162 59.162 61.670 -2.508 18905 12059 1 20 . 1 1 25 25 THR CB C 25 68.849 68.849 72.293 -3.444 18905 12060 1 20 . 1 1 25 25 THR H H 25 8.090 8.090 8.041 0.049 18905 12061 1 20 . 1 1 26 26 ILE N N 26 126.637 126.637 123.483 3.154 18905 12062 1 20 . 1 1 26 26 ILE HA H 26 4.650 4.650 4.547 0.103 18905 12063 1 20 . 1 1 26 26 ILE C C 26 171.500 171.500 173.958 -2.458 18905 12064 1 20 . 1 1 26 26 ILE CA C 26 56.930 56.930 59.603 -2.673 18905 12065 1 20 . 1 1 26 26 ILE CB C 26 38.159 38.159 41.812 -3.653 18905 12066 1 20 . 1 1 26 26 ILE H H 26 9.314 9.314 8.689 0.625 18905 12067 1 20 . 1 1 27 27 ILE N N 27 126.764 126.764 122.102 4.662 18905 12068 1 20 . 1 1 27 27 ILE HA H 27 4.955 4.955 4.922 0.033 18905 12069 1 20 . 1 1 27 27 ILE C C 27 171.462 171.462 173.817 -2.355 18905 12070 1 20 . 1 1 27 27 ILE CA C 27 56.909 56.909 59.578 -2.669 18905 12071 1 20 . 1 1 27 27 ILE CB C 27 38.397 38.397 42.247 -3.850 18905 12072 1 20 . 1 1 27 27 ILE H H 27 9.280 9.280 7.977 1.303 18905 12073 1 20 . 1 1 28 28 LEU N N 28 125.666 125.666 126.812 -1.146 18905 12074 1 20 . 1 1 28 28 LEU HA H 28 4.858 4.858 5.135 -0.277 18905 12075 1 20 . 1 1 28 28 LEU C C 28 172.714 172.714 176.673 -3.959 18905 12076 1 20 . 1 1 28 28 LEU CA C 28 50.153 50.153 52.665 -2.512 18905 12077 1 20 . 1 1 28 28 LEU CB C 28 39.943 39.943 42.544 -2.600 18905 12078 1 20 . 1 1 28 28 LEU H H 28 8.791 8.791 8.765 0.026 18905 12079 1 20 . 1 1 29 29 ARG N N 29 119.656 119.656 119.757 -0.101 18905 12080 1 20 . 1 1 29 29 ARG HA H 29 5.023 5.023 5.002 0.021 18905 12081 1 20 . 1 1 29 29 ARG C C 29 172.927 172.927 176.191 -3.264 18905 12082 1 20 . 1 1 29 29 ARG CA C 29 51.933 51.933 54.695 -2.762 18905 12083 1 20 . 1 1 29 29 ARG CB C 29 31.298 31.298 33.627 -2.329 18905 12084 1 20 . 1 1 29 29 ARG H H 29 8.742 8.742 7.937 0.805 18905 12085 1 20 . 1 1 30 30 ASN N N 30 115.104 115.104 115.724 -0.620 18905 12086 1 20 . 1 1 30 30 ASN HA H 30 4.319 4.319 4.443 -0.124 18905 12087 1 20 . 1 1 30 30 ASN C C 30 172.025 172.025 173.761 -1.736 18905 12088 1 20 . 1 1 30 30 ASN CA C 30 51.550 51.550 54.265 -2.715 18905 12089 1 20 . 1 1 30 30 ASN CB C 30 35.656 35.656 37.750 -2.094 18905 12090 1 20 . 1 1 30 30 ASN H H 30 8.292 8.292 8.718 -0.426 18905 12091 1 20 . 1 1 31 31 LEU N N 31 113.394 113.394 118.894 -5.500 18905 12092 1 20 . 1 1 31 31 LEU HA H 31 3.915 3.915 4.379 -0.464 18905 12093 1 20 . 1 1 31 31 LEU C C 31 175.815 175.815 176.501 -0.686 18905 12094 1 20 . 1 1 31 31 LEU CA C 31 52.148 52.148 54.611 -2.462 18905 12095 1 20 . 1 1 31 31 LEU CB C 31 39.876 39.876 42.261 -2.385 18905 12096 1 20 . 1 1 31 31 LEU H H 31 7.602 7.602 7.627 -0.025 18905 12097 1 20 . 1 1 32 32 ASN N N 32 123.357 123.357 122.095 1.262 18905 12098 1 20 . 1 1 32 32 ASN HA H 32 4.476 4.476 4.878 -0.402 18905 12099 1 20 . 1 1 32 32 ASN CA C 32 48.784 48.784 51.441 -2.656 18905 12100 1 20 . 1 1 32 32 ASN CB C 32 36.284 36.284 38.767 -2.483 18905 12101 1 20 . 1 1 32 32 ASN H H 32 9.816 9.816 8.710 1.106 18905 12102 1 20 . 1 1 33 33 PRO HA H 33 4.339 4.339 4.271 0.068 18905 12103 1 20 . 1 1 33 33 PRO CA C 33 61.514 61.514 65.154 -3.640 18905 12104 1 20 . 1 1 33 33 PRO CB C 33 30.320 30.320 32.044 -1.724 18905 12105 1 20 . 1 1 34 34 HIS N N 34 111.187 111.187 114.220 -3.033 18905 12106 1 20 . 1 1 34 34 HIS HA H 34 4.402 4.402 4.716 -0.314 18905 12107 1 20 . 1 1 34 34 HIS CA C 34 53.125 53.125 55.232 -2.107 18905 12108 1 20 . 1 1 34 34 HIS CB C 34 25.760 25.760 29.968 -4.208 18905 12109 1 20 . 1 1 34 34 HIS H H 34 8.856 8.856 8.593 0.263 18905 12110 1 20 . 1 1 35 35 SER N N 35 118.219 118.219 116.594 1.625 18905 12111 1 20 . 1 1 35 35 SER HA H 35 4.718 4.718 4.504 0.214 18905 12112 1 20 . 1 1 35 35 SER CB C 35 60.222 60.222 64.463 -4.241 18905 12113 1 20 . 1 1 35 35 SER H H 35 8.262 8.262 7.722 0.540 18905 12114 1 20 . 1 1 36 36 THR N N 36 114.157 114.157 110.160 3.997 18905 12115 1 20 . 1 1 36 36 THR HA H 36 4.545 4.545 4.670 -0.125 18905 12116 1 20 . 1 1 36 36 THR CA C 36 56.508 56.508 60.386 -3.878 18905 12117 1 20 . 1 1 36 36 THR CB C 36 70.051 70.051 71.798 -1.747 18905 12118 1 20 . 1 1 36 36 THR H H 36 8.451 8.451 8.252 0.199 18905 12119 1 20 . 1 1 37 37 MET N N 37 119.815 119.815 116.796 3.019 18905 12120 1 20 . 1 1 37 37 MET HA H 37 3.943 3.943 4.351 -0.408 18905 12121 1 20 . 1 1 37 37 MET CA C 37 56.204 56.204 58.114 -1.910 18905 12122 1 20 . 1 1 37 37 MET CB C 37 28.959 28.959 32.298 -3.339 18905 12123 1 20 . 1 1 37 37 MET H H 37 8.928 8.928 8.457 0.471 18905 12124 1 20 . 1 1 38 38 ASP N N 38 115.357 115.357 120.504 -5.147 18905 12125 1 20 . 1 1 38 38 ASP HA H 38 4.301 4.301 4.436 -0.135 18905 12126 1 20 . 1 1 38 38 ASP CA C 38 54.750 54.750 58.092 -3.342 18905 12127 1 20 . 1 1 38 38 ASP CB C 38 37.934 37.934 40.083 -2.149 18905 12128 1 20 . 1 1 38 38 ASP H H 38 8.096 8.096 8.749 -0.653 18905 12129 1 20 . 1 1 39 39 SER N N 39 118.933 118.933 114.186 4.747 18905 12130 1 20 . 1 1 39 39 SER HA H 39 4.253 4.253 4.217 0.036 18905 12131 1 20 . 1 1 39 39 SER C C 39 174.818 174.818 175.704 -0.886 18905 12132 1 20 . 1 1 39 39 SER CA C 39 58.767 58.767 60.786 -2.019 18905 12133 1 20 . 1 1 39 39 SER CB C 39 61.631 61.631 63.081 -1.450 18905 12134 1 20 . 1 1 39 39 SER H H 39 8.088 8.088 8.288 -0.200 18905 12135 1 20 . 1 1 40 40 ILE N N 40 124.376 124.376 119.026 5.350 18905 12136 1 20 . 1 1 40 40 ILE HA H 40 3.538 3.538 4.122 -0.584 18905 12137 1 20 . 1 1 40 40 ILE C C 40 174.358 174.358 176.949 -2.591 18905 12138 1 20 . 1 1 40 40 ILE CA C 40 62.936 62.936 62.923 0.013 18905 12139 1 20 . 1 1 40 40 ILE CB C 40 35.725 35.725 39.293 -3.568 18905 12140 1 20 . 1 1 40 40 ILE H H 40 8.009 8.009 7.610 0.399 18905 12141 1 20 . 1 1 41 41 LEU N N 41 117.914 117.914 120.680 -2.766 18905 12142 1 20 . 1 1 41 41 LEU HA H 41 3.818 3.818 4.015 -0.197 18905 12143 1 20 . 1 1 41 41 LEU C C 41 178.292 178.292 179.756 -1.464 18905 12144 1 20 . 1 1 41 41 LEU CA C 41 55.496 55.496 58.161 -2.665 18905 12145 1 20 . 1 1 41 41 LEU CB C 41 38.574 38.574 41.714 -3.140 18905 12146 1 20 . 1 1 41 41 LEU H H 41 8.574 8.574 8.281 0.293 18905 12147 1 20 . 1 1 42 42 GLY N N 42 105.053 105.053 105.774 -0.721 18905 12148 1 20 . 1 1 42 42 GLY C C 42 173.318 173.318 175.197 -1.879 18905 12149 1 20 . 1 1 42 42 GLY CA C 42 44.283 44.283 46.243 -1.960 18905 12150 1 20 . 1 1 42 42 GLY H H 42 8.207 8.207 8.177 0.030 18905 12151 1 20 . 1 1 43 43 ALA N N 43 122.411 122.411 122.823 -0.412 18905 12152 1 20 . 1 1 43 43 ALA HA H 43 4.245 4.245 4.303 -0.058 18905 12153 1 20 . 1 1 43 43 ALA C C 43 176.200 176.200 178.091 -1.891 18905 12154 1 20 . 1 1 43 43 ALA CA C 43 51.148 51.148 54.031 -2.883 18905 12155 1 20 . 1 1 43 43 ALA CB C 43 17.381 17.381 18.929 -1.548 18905 12156 1 20 . 1 1 43 43 ALA H H 43 7.571 7.571 8.166 -0.595 18905 12157 1 20 . 1 1 44 44 LEU N N 44 113.121 113.121 115.862 -2.741 18905 12158 1 20 . 1 1 44 44 LEU HA H 44 4.514 4.514 4.755 -0.240 18905 12159 1 20 . 1 1 44 44 LEU C C 44 174.187 174.187 178.139 -3.952 18905 12160 1 20 . 1 1 44 44 LEU CA C 44 52.247 52.247 53.914 -1.667 18905 12161 1 20 . 1 1 44 44 LEU CB C 44 40.210 40.210 43.128 -2.918 18905 12162 1 20 . 1 1 44 44 LEU H H 44 7.533 7.533 7.386 0.147 18905 12163 1 20 . 1 1 45 45 ALA N N 45 123.574 123.574 125.139 -1.565 18905 12164 1 20 . 1 1 45 45 ALA HA H 45 4.313 4.313 4.095 0.218 18905 12165 1 20 . 1 1 45 45 ALA CA C 45 53.187 53.187 55.957 -2.770 18905 12166 1 20 . 1 1 45 45 ALA CB C 45 14.134 14.134 16.538 -2.404 18905 12167 1 20 . 1 1 45 45 ALA H H 45 7.398 7.398 7.961 -0.563 18905 12168 1 20 . 1 1 46 46 PRO HA H 46 4.043 4.043 4.316 -0.273 18905 12169 1 20 . 1 1 46 46 PRO CA C 46 61.784 61.784 63.237 -1.454 18905 12170 1 20 . 1 1 46 46 PRO CB C 46 27.999 27.999 31.741 -3.742 18905 12171 1 20 . 1 1 47 47 TYR N N 47 114.404 114.404 119.533 -5.129 18905 12172 1 20 . 1 1 47 47 TYR HA H 47 4.527 4.527 4.800 -0.273 18905 12173 1 20 . 1 1 47 47 TYR CA C 47 54.406 54.406 56.780 -2.374 18905 12174 1 20 . 1 1 47 47 TYR CB C 47 37.537 37.537 39.320 -1.783 18905 12175 1 20 . 1 1 47 47 TYR H H 47 7.897 7.897 7.676 0.221 18905 12176 1 20 . 1 1 48 48 ALA N N 48 119.845 119.845 119.877 -0.032 18905 12177 1 20 . 1 1 48 48 ALA HA H 48 4.360 4.360 4.699 -0.339 18905 12178 1 20 . 1 1 48 48 ALA C C 48 171.938 171.938 175.115 -3.177 18905 12179 1 20 . 1 1 48 48 ALA CA C 48 49.129 49.129 51.321 -2.192 18905 12180 1 20 . 1 1 48 48 ALA CB C 48 19.614 19.614 21.297 -1.683 18905 12181 1 20 . 1 1 48 48 ALA H H 48 8.083 8.083 7.354 0.729 18905 12182 1 20 . 1 1 49 49 VAL N N 49 122.528 122.528 121.189 1.339 18905 12183 1 20 . 1 1 49 49 VAL HA H 49 3.904 3.904 4.397 -0.493 18905 12184 1 20 . 1 1 49 49 VAL C C 49 172.490 172.490 174.581 -2.091 18905 12185 1 20 . 1 1 49 49 VAL CA C 49 60.373 60.373 62.533 -2.160 18905 12186 1 20 . 1 1 49 49 VAL CB C 49 28.257 28.257 31.814 -3.558 18905 12187 1 20 . 1 1 49 49 VAL H H 49 8.414 8.414 8.497 -0.083 18905 12188 1 20 . 1 1 50 50 LEU N N 50 127.924 127.924 123.982 3.942 18905 12189 1 20 . 1 1 50 50 LEU HA H 50 4.650 4.650 4.902 -0.252 18905 12190 1 20 . 1 1 50 50 LEU C C 50 172.488 172.488 175.452 -2.964 18905 12191 1 20 . 1 1 50 50 LEU CA C 50 50.523 50.523 53.105 -2.582 18905 12192 1 20 . 1 1 50 50 LEU CB C 50 42.647 42.647 43.999 -1.352 18905 12193 1 20 . 1 1 50 50 LEU H H 50 7.904 7.904 7.658 0.246 18905 12194 1 20 . 1 1 51 51 SER N N 51 114.999 114.999 113.932 1.067 18905 12195 1 20 . 1 1 51 51 SER HA H 51 4.783 4.783 4.967 -0.184 18905 12196 1 20 . 1 1 51 51 SER C C 51 172.827 172.827 175.250 -2.423 18905 12197 1 20 . 1 1 51 51 SER CA C 51 53.708 53.708 57.267 -3.559 18905 12198 1 20 . 1 1 51 51 SER CB C 51 63.424 63.424 65.921 -2.497 18905 12199 1 20 . 1 1 51 51 SER H H 51 8.623 8.623 8.352 0.271 18905 12200 1 20 . 1 1 52 52 SER N N 52 118.355 118.355 113.702 4.653 18905 12201 1 20 . 1 1 52 52 SER HA H 52 4.301 4.301 4.270 0.031 18905 12202 1 20 . 1 1 52 52 SER C C 52 173.242 173.242 175.479 -2.237 18905 12203 1 20 . 1 1 52 52 SER CA C 52 58.709 58.709 60.395 -1.685 18905 12204 1 20 . 1 1 52 52 SER CB C 52 59.826 59.826 62.692 -2.866 18905 12205 1 20 . 1 1 52 52 SER H H 52 9.117 9.117 8.686 0.431 18905 12206 1 20 . 1 1 53 53 SER N N 53 114.926 114.926 116.320 -1.394 18905 12207 1 20 . 1 1 53 53 SER HA H 53 4.292 4.292 4.511 -0.219 18905 12208 1 20 . 1 1 53 53 SER CA C 53 57.882 57.882 60.296 -2.414 18905 12209 1 20 . 1 1 53 53 SER CB C 53 60.220 60.220 63.959 -3.739 18905 12210 1 20 . 1 1 53 53 SER H H 53 8.014 8.014 7.591 0.423 18905 12211 1 20 . 1 1 54 54 ASN N N 54 116.432 116.432 119.674 -3.242 18905 12212 1 20 . 1 1 54 54 ASN HA H 54 4.914 4.914 4.682 0.232 18905 12213 1 20 . 1 1 54 54 ASN C C 54 170.744 170.744 175.397 -4.653 18905 12214 1 20 . 1 1 54 54 ASN CA C 54 52.054 52.054 54.941 -2.887 18905 12215 1 20 . 1 1 54 54 ASN CB C 54 38.952 38.952 39.306 -0.354 18905 12216 1 20 . 1 1 54 54 ASN H H 54 7.996 7.996 7.678 0.318 18905 12217 1 20 . 1 1 55 55 VAL N N 55 118.877 118.877 120.794 -1.917 18905 12218 1 20 . 1 1 55 55 VAL HA H 55 4.891 4.891 3.916 0.975 18905 12219 1 20 . 1 1 55 55 VAL C C 55 171.238 171.238 174.610 -3.372 18905 12220 1 20 . 1 1 55 55 VAL CA C 55 58.709 58.709 63.353 -4.644 18905 12221 1 20 . 1 1 55 55 VAL CB C 55 31.652 31.652 32.388 -0.736 18905 12222 1 20 . 1 1 55 55 VAL H H 55 7.421 7.421 7.248 0.173 18905 12223 1 20 . 1 1 56 56 ARG N N 56 125.757 125.757 126.779 -1.022 18905 12224 1 20 . 1 1 56 56 ARG HA H 56 4.708 4.708 4.627 0.081 18905 12225 1 20 . 1 1 56 56 ARG C C 56 172.321 172.321 174.486 -2.165 18905 12226 1 20 . 1 1 56 56 ARG CA C 56 51.878 51.878 54.474 -2.596 18905 12227 1 20 . 1 1 56 56 ARG CB C 56 30.211 30.211 32.640 -2.429 18905 12228 1 20 . 1 1 56 56 ARG H H 56 9.011 9.011 8.830 0.181 18905 12229 1 20 . 1 1 57 57 VAL N N 57 125.646 125.646 127.677 -2.031 18905 12230 1 20 . 1 1 57 57 VAL HA H 57 3.878 3.878 3.879 -0.001 18905 12231 1 20 . 1 1 57 57 VAL C C 57 172.129 172.129 175.438 -3.309 18905 12232 1 20 . 1 1 57 57 VAL CA C 57 59.043 59.043 62.624 -3.581 18905 12233 1 20 . 1 1 57 57 VAL CB C 57 30.019 30.019 31.803 -1.784 18905 12234 1 20 . 1 1 57 57 VAL H H 57 8.794 8.794 8.517 0.277 18905 12235 1 20 . 1 1 58 58 ILE N N 58 127.547 127.547 130.310 -2.763 18905 12236 1 20 . 1 1 58 58 ILE HA H 58 4.049 4.049 4.032 0.017 18905 12237 1 20 . 1 1 58 58 ILE C C 58 172.672 172.672 175.034 -2.362 18905 12238 1 20 . 1 1 58 58 ILE CA C 58 57.246 57.246 59.917 -2.671 18905 12239 1 20 . 1 1 58 58 ILE CB C 58 32.839 32.839 38.345 -5.506 18905 12240 1 20 . 1 1 58 58 ILE H H 58 7.259 7.259 8.118 -0.859 18905 12241 1 20 . 1 1 59 59 LYS N N 59 127.231 127.231 125.562 1.669 18905 12242 1 20 . 1 1 59 59 LYS HA H 59 4.532 4.532 4.701 -0.169 18905 12243 1 20 . 1 1 59 59 LYS C C 59 173.119 173.119 175.871 -2.752 18905 12244 1 20 . 1 1 59 59 LYS CA C 59 52.444 52.444 55.288 -2.844 18905 12245 1 20 . 1 1 59 59 LYS CB C 59 32.374 32.374 34.323 -1.949 18905 12246 1 20 . 1 1 59 59 LYS H H 59 8.571 8.571 8.376 0.195 18905 12247 1 20 . 1 1 60 60 ASP N N 60 123.232 123.232 120.459 2.773 18905 12248 1 20 . 1 1 60 60 ASP HA H 60 4.496 4.496 4.634 -0.138 18905 12249 1 20 . 1 1 60 60 ASP C C 60 174.118 174.118 176.259 -2.141 18905 12250 1 20 . 1 1 60 60 ASP CA C 60 50.786 50.786 54.221 -3.436 18905 12251 1 20 . 1 1 60 60 ASP CB C 60 40.058 40.058 42.169 -2.111 18905 12252 1 20 . 1 1 60 60 ASP H H 60 8.527 8.527 8.721 -0.194 18905 12253 1 20 . 1 1 61 61 LYS N N 61 125.977 125.977 119.858 6.119 18905 12254 1 20 . 1 1 61 61 LYS HA H 61 3.918 3.918 4.367 -0.449 18905 12255 1 20 . 1 1 61 61 LYS C C 61 174.696 174.696 177.278 -2.582 18905 12256 1 20 . 1 1 61 61 LYS CA C 61 56.017 56.017 57.147 -1.130 18905 12257 1 20 . 1 1 61 61 LYS CB C 61 29.813 29.813 33.035 -3.222 18905 12258 1 20 . 1 1 61 61 LYS H H 61 8.770 8.770 8.480 0.290 18905 12259 1 20 . 1 1 62 62 GLN N N 62 116.732 116.732 118.735 -2.003 18905 12260 1 20 . 1 1 62 62 GLN HA H 62 4.252 4.252 4.272 -0.020 18905 12261 1 20 . 1 1 62 62 GLN C C 62 174.793 174.793 176.480 -1.687 18905 12262 1 20 . 1 1 62 62 GLN CA C 62 55.001 55.001 57.063 -2.062 18905 12263 1 20 . 1 1 62 62 GLN CB C 62 26.516 26.516 29.692 -3.176 18905 12264 1 20 . 1 1 62 62 GLN H H 62 8.538 8.538 8.800 -0.262 18905 12265 1 20 . 1 1 63 63 THR N N 63 108.519 108.519 110.040 -1.521 18905 12266 1 20 . 1 1 63 63 THR HA H 63 4.265 4.265 4.529 -0.264 18905 12267 1 20 . 1 1 63 63 THR CA C 63 59.302 59.302 60.070 -0.768 18905 12268 1 20 . 1 1 63 63 THR CB C 63 67.891 67.891 71.167 -3.276 18905 12269 1 20 . 1 1 63 63 THR H H 63 7.882 7.882 7.699 0.183 18905 12270 1 20 . 1 1 64 64 GLN N N 64 113.890 113.890 119.860 -5.970 18905 12271 1 20 . 1 1 64 64 GLN HA H 64 3.829 3.829 4.553 -0.724 18905 12272 1 20 . 1 1 64 64 GLN C C 64 172.129 172.129 174.969 -2.840 18905 12273 1 20 . 1 1 64 64 GLN CA C 64 54.560 54.560 55.002 -0.442 18905 12274 1 20 . 1 1 64 64 GLN CB C 64 23.812 23.812 26.922 -3.110 18905 12275 1 20 . 1 1 64 64 GLN H H 64 8.188 8.188 8.613 -0.425 18905 12276 1 20 . 1 1 65 65 LEU N N 65 119.516 119.516 119.386 0.130 18905 12277 1 20 . 1 1 65 65 LEU HA H 65 4.463 4.463 4.603 -0.140 18905 12278 1 20 . 1 1 65 65 LEU C C 65 174.174 174.174 175.635 -1.461 18905 12279 1 20 . 1 1 65 65 LEU CA C 65 51.024 51.024 52.858 -1.834 18905 12280 1 20 . 1 1 65 65 LEU CB C 65 39.608 39.608 45.512 -5.904 18905 12281 1 20 . 1 1 65 65 LEU H H 65 7.682 7.682 7.290 0.392 18905 12282 1 20 . 1 1 66 66 ASN N N 66 117.776 117.776 118.265 -0.489 18905 12283 1 20 . 1 1 66 66 ASN HA H 66 4.958 4.958 4.874 0.084 18905 12284 1 20 . 1 1 66 66 ASN C C 66 171.913 171.913 176.148 -4.235 18905 12285 1 20 . 1 1 66 66 ASN CA C 66 50.440 50.440 53.215 -2.775 18905 12286 1 20 . 1 1 66 66 ASN CB C 66 36.771 36.771 39.097 -2.326 18905 12287 1 20 . 1 1 66 66 ASN H H 66 8.771 8.771 8.149 0.622 18905 12288 1 20 . 1 1 67 67 ARG N N 67 117.508 117.508 121.450 -3.942 18905 12289 1 20 . 1 1 67 67 ARG HA H 67 4.193 4.193 4.398 -0.205 18905 12290 1 20 . 1 1 67 67 ARG CA C 67 53.615 53.615 56.315 -2.700 18905 12291 1 20 . 1 1 67 67 ARG CB C 67 28.137 28.137 30.426 -2.289 18905 12292 1 20 . 1 1 67 67 ARG H H 67 8.313 8.313 8.129 0.184 18905 12293 1 20 . 1 1 68 68 GLY N N 68 107.904 107.904 107.344 0.560 18905 12294 1 20 . 1 1 68 68 GLY CA C 68 42.842 42.842 45.720 -2.878 18905 12295 1 20 . 1 1 68 68 GLY H H 68 9.437 9.437 8.658 0.779 18905 12296 1 20 . 1 1 69 69 PHE N N 69 113.804 113.804 116.984 -3.180 18905 12297 1 20 . 1 1 69 69 PHE HA H 69 5.754 5.754 5.524 0.230 18905 12298 1 20 . 1 1 69 69 PHE C C 69 170.151 170.151 172.607 -2.456 18905 12299 1 20 . 1 1 69 69 PHE CA C 69 51.625 51.625 54.576 -2.951 18905 12300 1 20 . 1 1 69 69 PHE CB C 69 39.587 39.587 41.846 -2.259 18905 12301 1 20 . 1 1 69 69 PHE H H 69 6.750 6.750 7.368 -0.618 18905 12302 1 20 . 1 1 70 70 ALA N N 70 118.965 118.965 119.357 -0.392 18905 12303 1 20 . 1 1 70 70 ALA HA H 70 4.807 4.807 4.045 0.762 18905 12304 1 20 . 1 1 70 70 ALA C C 70 171.693 171.693 174.624 -2.931 18905 12305 1 20 . 1 1 70 70 ALA CA C 70 47.155 47.155 50.696 -3.541 18905 12306 1 20 . 1 1 70 70 ALA CB C 70 21.153 21.153 22.063 -0.910 18905 12307 1 20 . 1 1 70 70 ALA H H 70 8.526 8.526 8.043 0.483 18905 12308 1 20 . 1 1 71 71 PHE N N 71 117.469 117.469 117.748 -0.279 18905 12309 1 20 . 1 1 71 71 PHE HA H 71 5.537 5.537 5.589 -0.052 18905 12310 1 20 . 1 1 71 71 PHE C C 71 172.630 172.630 174.569 -1.939 18905 12311 1 20 . 1 1 71 71 PHE CA C 71 52.609 52.609 55.742 -3.134 18905 12312 1 20 . 1 1 71 71 PHE CB C 71 39.675 39.675 44.129 -4.454 18905 12313 1 20 . 1 1 71 71 PHE H H 71 8.824 8.824 8.753 0.071 18905 12314 1 20 . 1 1 72 72 ILE N N 72 122.867 122.867 118.723 4.144 18905 12315 1 20 . 1 1 72 72 ILE HA H 72 5.022 5.022 4.737 0.285 18905 12316 1 20 . 1 1 72 72 ILE CA C 72 56.881 56.881 60.329 -3.448 18905 12317 1 20 . 1 1 72 72 ILE CB C 72 37.031 37.031 41.561 -4.530 18905 12318 1 20 . 1 1 72 72 ILE H H 72 9.555 9.555 8.622 0.933 18905 12319 1 20 . 1 1 73 73 GLN N N 73 128.422 128.422 127.272 1.150 18905 12320 1 20 . 1 1 73 73 GLN HA H 73 5.170 5.170 4.356 0.814 18905 12321 1 20 . 1 1 73 73 GLN CA C 73 52.252 52.252 55.680 -3.428 18905 12322 1 20 . 1 1 73 73 GLN CB C 73 28.291 28.291 30.040 -1.749 18905 12323 1 20 . 1 1 73 73 GLN H H 73 8.964 8.964 8.383 0.581 18905 12324 1 20 . 1 1 74 74 LEU N N 74 126.707 126.707 126.451 0.256 18905 12325 1 20 . 1 1 74 74 LEU HA H 74 4.789 4.789 4.776 0.013 18905 12326 1 20 . 1 1 74 74 LEU CA C 74 50.617 50.617 53.225 -2.608 18905 12327 1 20 . 1 1 74 74 LEU CB C 74 44.885 44.885 45.175 -0.290 18905 12328 1 20 . 1 1 74 74 LEU H H 74 8.420 8.420 8.029 0.391 18905 12329 1 20 . 1 1 75 75 SER HA H 75 4.284 4.284 4.882 -0.598 18905 12330 1 20 . 1 1 75 75 SER CA C 75 55.390 55.390 56.549 -1.159 18905 12331 1 20 . 1 1 75 75 SER CB C 75 61.275 61.275 65.503 -4.228 18905 12332 1 20 . 1 1 76 76 THR N N 76 116.193 116.193 116.444 -0.251 18905 12333 1 20 . 1 1 76 76 THR HA H 76 3.994 3.994 4.229 -0.235 18905 12334 1 20 . 1 1 76 76 THR C C 76 174.630 174.630 176.222 -1.592 18905 12335 1 20 . 1 1 76 76 THR CA C 76 64.225 64.225 66.017 -1.792 18905 12336 1 20 . 1 1 76 76 THR CB C 76 66.003 66.003 68.827 -2.824 18905 12337 1 20 . 1 1 76 76 THR H H 76 8.614 8.614 8.382 0.232 18905 12338 1 20 . 1 1 77 77 ILE N N 77 120.400 120.400 121.311 -0.911 18905 12339 1 20 . 1 1 77 77 ILE HA H 77 3.911 3.911 3.850 0.061 18905 12340 1 20 . 1 1 77 77 ILE C C 77 175.577 175.577 177.368 -1.791 18905 12341 1 20 . 1 1 77 77 ILE CA C 77 61.264 61.264 63.739 -2.475 18905 12342 1 20 . 1 1 77 77 ILE CB C 77 35.379 35.379 37.880 -2.501 18905 12343 1 20 . 1 1 77 77 ILE H H 77 8.044 8.044 8.226 -0.182 18905 12344 1 20 . 1 1 78 78 GLU N N 78 120.562 120.562 119.586 0.976 18905 12345 1 20 . 1 1 78 78 GLU HA H 78 4.062 4.062 4.079 -0.017 18905 12346 1 20 . 1 1 78 78 GLU C C 78 176.596 176.596 177.632 -1.036 18905 12347 1 20 . 1 1 78 78 GLU CA C 78 56.355 56.355 58.974 -2.619 18905 12348 1 20 . 1 1 78 78 GLU CB C 78 27.668 27.668 28.915 -1.247 18905 12349 1 20 . 1 1 78 78 GLU H H 78 7.548 7.548 8.354 -0.806 18905 12350 1 20 . 1 1 79 79 ALA N N 79 122.789 122.789 121.714 1.075 18905 12351 1 20 . 1 1 79 79 ALA HA H 79 3.923 3.923 4.336 -0.413 18905 12352 1 20 . 1 1 79 79 ALA C C 79 175.736 175.736 179.071 -3.335 18905 12353 1 20 . 1 1 79 79 ALA CA C 79 52.649 52.649 54.981 -2.332 18905 12354 1 20 . 1 1 79 79 ALA CB C 79 15.305 15.305 18.743 -3.438 18905 12355 1 20 . 1 1 79 79 ALA H H 79 9.279 9.279 8.191 1.088 18905 12356 1 20 . 1 1 80 80 ALA N N 80 118.643 118.643 120.091 -1.448 18905 12357 1 20 . 1 1 80 80 ALA HA H 80 4.001 4.001 3.902 0.099 18905 12358 1 20 . 1 1 80 80 ALA C C 80 177.943 177.943 179.422 -1.479 18905 12359 1 20 . 1 1 80 80 ALA CA C 80 52.521 52.521 54.527 -2.006 18905 12360 1 20 . 1 1 80 80 ALA CB C 80 15.281 15.281 18.593 -3.312 18905 12361 1 20 . 1 1 80 80 ALA H H 80 7.688 7.688 7.960 -0.272 18905 12362 1 20 . 1 1 81 81 GLN N N 81 116.877 116.877 116.876 0.001 18905 12363 1 20 . 1 1 81 81 GLN HA H 81 4.015 4.015 4.127 -0.112 18905 12364 1 20 . 1 1 81 81 GLN CA C 81 55.760 55.760 58.007 -2.247 18905 12365 1 20 . 1 1 81 81 GLN CB C 81 25.786 25.786 28.672 -2.886 18905 12366 1 20 . 1 1 81 81 GLN H H 81 7.593 7.593 7.979 -0.386 18905 12367 1 20 . 1 1 82 82 LEU N N 82 119.946 119.946 122.645 -2.699 18905 12368 1 20 . 1 1 82 82 LEU HA H 82 4.121 4.121 4.171 -0.050 18905 12369 1 20 . 1 1 82 82 LEU C C 82 175.358 175.358 178.374 -3.016 18905 12370 1 20 . 1 1 82 82 LEU CA C 82 54.781 54.781 56.842 -2.061 18905 12371 1 20 . 1 1 82 82 LEU CB C 82 38.240 38.240 41.350 -3.110 18905 12372 1 20 . 1 1 82 82 LEU H H 82 8.258 8.258 7.502 0.756 18905 12373 1 20 . 1 1 83 83 LEU N N 83 119.288 119.288 119.601 -0.313 18905 12374 1 20 . 1 1 83 83 LEU HA H 83 3.585 3.585 3.983 -0.398 18905 12375 1 20 . 1 1 83 83 LEU C C 83 175.365 175.365 178.541 -3.176 18905 12376 1 20 . 1 1 83 83 LEU CA C 83 56.142 56.142 58.395 -2.253 18905 12377 1 20 . 1 1 83 83 LEU CB C 83 38.875 38.875 41.521 -2.646 18905 12378 1 20 . 1 1 83 83 LEU H H 83 8.407 8.407 7.873 0.534 18905 12379 1 20 . 1 1 84 84 GLN N N 84 115.391 115.391 117.763 -2.372 18905 12380 1 20 . 1 1 84 84 GLN HA H 84 3.878 3.878 4.078 -0.200 18905 12381 1 20 . 1 1 84 84 GLN C C 84 176.472 176.472 177.924 -1.452 18905 12382 1 20 . 1 1 84 84 GLN CA C 84 56.142 56.142 58.435 -2.293 18905 12383 1 20 . 1 1 84 84 GLN CB C 84 25.733 25.733 28.401 -2.668 18905 12384 1 20 . 1 1 84 84 GLN H H 84 7.347 7.347 7.669 -0.322 18905 12385 1 20 . 1 1 85 85 ILE N N 85 119.593 119.593 120.168 -0.575 18905 12386 1 20 . 1 1 85 85 ILE HA H 85 3.607 3.607 3.647 -0.040 18905 12387 1 20 . 1 1 85 85 ILE CA C 85 61.779 61.779 64.422 -2.643 18905 12388 1 20 . 1 1 85 85 ILE CB C 85 35.948 35.948 38.236 -2.288 18905 12389 1 20 . 1 1 85 85 ILE H H 85 7.650 7.650 7.498 0.152 18905 12390 1 20 . 1 1 86 86 LEU N N 86 116.537 116.537 120.047 -3.510 18905 12391 1 20 . 1 1 86 86 LEU HA H 86 3.757 3.757 3.927 -0.170 18905 12392 1 20 . 1 1 86 86 LEU C C 86 177.610 177.610 179.255 -1.645 18905 12393 1 20 . 1 1 86 86 LEU CA C 86 54.521 54.521 58.245 -3.724 18905 12394 1 20 . 1 1 86 86 LEU CB C 86 39.226 39.226 41.291 -2.064 18905 12395 1 20 . 1 1 86 86 LEU H H 86 8.410 8.410 7.910 0.500 18905 12396 1 20 . 1 1 87 87 GLN N N 87 115.959 115.959 116.842 -0.883 18905 12397 1 20 . 1 1 87 87 GLN HA H 87 4.009 4.009 4.092 -0.083 18905 12398 1 20 . 1 1 87 87 GLN C C 87 174.156 174.156 176.525 -2.369 18905 12399 1 20 . 1 1 87 87 GLN CA C 87 55.735 55.735 57.556 -1.821 18905 12400 1 20 . 1 1 87 87 GLN CB C 87 25.516 25.516 28.541 -3.025 18905 12401 1 20 . 1 1 87 87 GLN H H 87 8.406 8.406 7.636 0.770 18905 12402 1 20 . 1 1 88 88 ALA N N 88 120.044 120.044 120.560 -0.516 18905 12403 1 20 . 1 1 88 88 ALA HA H 88 4.338 4.338 4.462 -0.124 18905 12404 1 20 . 1 1 88 88 ALA C C 88 174.373 174.373 176.140 -1.767 18905 12405 1 20 . 1 1 88 88 ALA CA C 88 48.933 48.933 52.205 -3.272 18905 12406 1 20 . 1 1 88 88 ALA CB C 88 16.681 16.681 19.924 -3.243 18905 12407 1 20 . 1 1 88 88 ALA H H 88 7.110 7.110 7.729 -0.619 18905 12408 1 20 . 1 1 89 89 LEU N N 89 119.696 119.696 116.436 3.260 18905 12409 1 20 . 1 1 89 89 LEU HA H 89 3.929 3.929 4.864 -0.935 18905 12410 1 20 . 1 1 89 89 LEU C C 89 175.387 175.387 175.026 0.361 18905 12411 1 20 . 1 1 89 89 LEU CA C 89 53.364 53.364 54.552 -1.188 18905 12412 1 20 . 1 1 89 89 LEU CB C 89 39.775 39.775 43.936 -4.161 18905 12413 1 20 . 1 1 89 89 LEU H H 89 6.693 6.693 7.398 -0.705 18905 12414 1 20 . 1 1 90 90 HIS N N 90 120.136 120.136 118.475 1.661 18905 12415 1 20 . 1 1 90 90 HIS HA H 90 4.419 4.419 4.894 -0.475 18905 12416 1 20 . 1 1 90 90 HIS CA C 90 50.226 50.226 54.641 -4.415 18905 12417 1 20 . 1 1 90 90 HIS CB C 90 27.853 27.853 30.581 -2.728 18905 12418 1 20 . 1 1 90 90 HIS H H 90 8.299 8.299 8.467 -0.168 18905 12419 1 20 . 1 1 91 91 PRO HA H 91 4.367 4.367 4.731 -0.364 18905 12420 1 20 . 1 1 91 91 PRO CA C 91 60.550 60.550 61.833 -1.283 18905 12421 1 20 . 1 1 91 91 PRO CB C 91 29.416 29.416 32.104 -2.688 18905 12422 1 20 . 1 1 92 92 PRO HA H 92 4.815 4.815 4.359 0.456 18905 12423 1 20 . 1 1 92 92 PRO CA C 92 59.812 59.812 63.372 -3.560 18905 12424 1 20 . 1 1 92 92 PRO CB C 92 30.119 30.119 31.932 -1.813 18905 12425 1 20 . 1 1 93 93 LEU N N 93 121.469 121.469 121.922 -0.453 18905 12426 1 20 . 1 1 93 93 LEU HA H 93 3.954 3.954 4.394 -0.440 18905 12427 1 20 . 1 1 93 93 LEU CA C 93 53.500 53.500 55.080 -1.580 18905 12428 1 20 . 1 1 93 93 LEU CB C 93 39.889 39.889 40.199 -0.310 18905 12429 1 20 . 1 1 93 93 LEU H H 93 8.404 8.404 7.828 0.576 18905 12430 1 20 . 1 1 94 94 THR HA H 94 5.276 5.276 4.669 0.607 18905 12431 1 20 . 1 1 94 94 THR CA C 94 57.077 57.077 61.665 -4.588 18905 12432 1 20 . 1 1 94 94 THR CB C 94 69.076 69.076 69.668 -0.592 18905 12433 1 20 . 1 1 95 95 ILE N N 95 121.239 121.239 126.454 -5.215 18905 12434 1 20 . 1 1 95 95 ILE HA H 95 4.184 4.184 4.048 0.136 18905 12435 1 20 . 1 1 95 95 ILE CA C 95 58.054 58.054 61.089 -3.035 18905 12436 1 20 . 1 1 95 95 ILE CB C 95 37.534 37.534 39.457 -1.923 18905 12437 1 20 . 1 1 95 95 ILE H H 95 8.317 8.317 8.624 -0.307 18905 12438 1 20 . 1 1 96 96 ASP N N 96 130.909 130.909 127.660 3.249 18905 12439 1 20 . 1 1 96 96 ASP HA H 96 4.292 4.292 4.271 0.021 18905 12440 1 20 . 1 1 96 96 ASP CA C 96 53.001 53.001 55.065 -2.064 18905 12441 1 20 . 1 1 96 96 ASP CB C 96 37.114 37.114 40.191 -3.077 18905 12442 1 20 . 1 1 96 96 ASP H H 96 9.837 9.837 9.014 0.823 18905 12443 1 20 . 1 1 97 97 GLY N N 97 102.578 102.578 103.726 -1.148 18905 12444 1 20 . 1 1 97 97 GLY C C 97 170.992 170.992 174.652 -3.660 18905 12445 1 20 . 1 1 97 97 GLY CA C 97 42.754 42.754 45.648 -2.894 18905 12446 1 20 . 1 1 97 97 GLY H H 97 8.638 8.638 8.105 0.533 18905 12447 1 20 . 1 1 98 98 LYS N N 98 120.330 120.330 121.760 -1.430 18905 12448 1 20 . 1 1 98 98 LYS HA H 98 4.629 4.629 4.703 -0.074 18905 12449 1 20 . 1 1 98 98 LYS C C 98 172.675 172.675 176.073 -3.398 18905 12450 1 20 . 1 1 98 98 LYS CA C 98 50.304 50.304 54.139 -3.836 18905 12451 1 20 . 1 1 98 98 LYS CB C 98 31.136 31.136 32.084 -0.948 18905 12452 1 20 . 1 1 98 98 LYS H H 98 7.440 7.440 8.084 -0.644 18905 12453 1 20 . 1 1 99 99 THR N N 99 119.612 119.612 114.191 5.421 18905 12454 1 20 . 1 1 99 99 THR HA H 99 4.356 4.356 4.305 0.051 18905 12455 1 20 . 1 1 99 99 THR C C 99 171.511 171.511 174.586 -3.075 18905 12456 1 20 . 1 1 99 99 THR CA C 99 60.382 60.382 61.902 -1.520 18905 12457 1 20 . 1 1 99 99 THR CB C 99 65.967 65.967 69.891 -3.924 18905 12458 1 20 . 1 1 99 99 THR H H 99 8.626 8.626 7.989 0.637 18905 12459 1 20 . 1 1 100 100 ILE N N 100 129.389 129.389 121.426 7.963 18905 12460 1 20 . 1 1 100 100 ILE HA H 100 4.358 4.358 4.045 0.313 18905 12461 1 20 . 1 1 100 100 ILE C C 100 172.710 172.710 176.112 -3.402 18905 12462 1 20 . 1 1 100 100 ILE CA C 100 55.202 55.202 60.097 -4.895 18905 12463 1 20 . 1 1 100 100 ILE CB C 100 34.925 34.925 37.015 -2.090 18905 12464 1 20 . 1 1 100 100 ILE H H 100 8.463 8.463 8.463 -0.000 18905 12465 1 20 . 1 1 101 101 ASN N N 101 123.767 123.767 125.590 -1.823 18905 12466 1 20 . 1 1 101 101 ASN HA H 101 4.904 4.904 4.950 -0.046 18905 12467 1 20 . 1 1 101 101 ASN C C 101 170.860 170.860 174.214 -3.354 18905 12468 1 20 . 1 1 101 101 ASN CA C 101 49.884 49.884 52.936 -3.052 18905 12469 1 20 . 1 1 101 101 ASN CB C 101 38.364 38.364 40.399 -2.035 18905 12470 1 20 . 1 1 101 101 ASN H H 101 7.878 7.878 8.444 -0.566 18905 12471 1 20 . 1 1 102 102 VAL N N 102 122.207 122.207 120.684 1.523 18905 12472 1 20 . 1 1 102 102 VAL HA H 102 4.933 4.933 4.540 0.393 18905 12473 1 20 . 1 1 102 102 VAL C C 102 175.222 175.222 174.955 0.267 18905 12474 1 20 . 1 1 102 102 VAL CA C 102 57.981 57.981 60.719 -2.738 18905 12475 1 20 . 1 1 102 102 VAL CB C 102 31.183 31.183 34.368 -3.185 18905 12476 1 20 . 1 1 102 102 VAL H H 102 8.503 8.503 8.319 0.184 18905 12477 1 20 . 1 1 103 103 GLU N N 103 124.079 124.079 127.965 -3.886 18905 12478 1 20 . 1 1 103 103 GLU HA H 103 4.557 4.557 4.618 -0.061 18905 12479 1 20 . 1 1 103 103 GLU CA C 103 51.772 51.772 55.622 -3.850 18905 12480 1 20 . 1 1 103 103 GLU CB C 103 31.226 31.226 33.423 -2.197 18905 12481 1 20 . 1 1 103 103 GLU H H 103 8.627 8.627 8.547 0.080 18905 12482 1 20 . 1 1 104 104 PHE N N 104 121.287 121.287 119.935 1.352 18905 12483 1 20 . 1 1 104 104 PHE HA H 104 5.047 5.047 4.742 0.305 18905 12484 1 20 . 1 1 104 104 PHE C C 104 173.023 173.023 174.351 -1.328 18905 12485 1 20 . 1 1 104 104 PHE CA C 104 55.305 55.305 56.985 -1.680 18905 12486 1 20 . 1 1 104 104 PHE CB C 104 38.342 38.342 42.463 -4.121 18905 12487 1 20 . 1 1 104 104 PHE H H 104 8.778 8.778 8.474 0.304 18905 12488 1 20 . 1 1 105 105 ALA N N 105 127.703 127.703 126.856 0.847 18905 12489 1 20 . 1 1 105 105 ALA HA H 105 4.278 4.278 4.519 -0.241 18905 12490 1 20 . 1 1 105 105 ALA C C 105 172.939 172.939 175.216 -2.277 18905 12491 1 20 . 1 1 105 105 ALA CA C 105 48.936 48.936 51.945 -3.009 18905 12492 1 20 . 1 1 105 105 ALA CB C 105 17.822 17.822 19.205 -1.383 18905 12493 1 20 . 1 1 105 105 ALA H H 105 8.630 8.630 7.967 0.663 18905 12494 1 20 . 1 1 106 106 LYS N N 106 121.259 121.259 119.044 2.215 18905 12495 1 20 . 1 1 106 106 LYS HA H 106 4.211 4.211 4.341 -0.130 18905 12496 1 20 . 1 1 106 106 LYS C C 106 174.939 174.939 176.195 -1.256 18905 12497 1 20 . 1 1 106 106 LYS CA C 106 52.995 52.995 54.741 -1.746 18905 12498 1 20 . 1 1 106 106 LYS CB C 106 30.290 30.290 33.178 -2.889 18905 12499 1 20 . 1 1 106 106 LYS H H 106 8.289 8.289 7.718 0.571 18905 12500 1 20 . 1 1 107 107 GLY N N 107 111.965 111.965 107.689 4.276 18905 12501 1 20 . 1 1 107 107 GLY C C 107 171.215 171.215 174.247 -3.032 18905 12502 1 20 . 1 1 107 107 GLY CA C 107 42.651 42.651 43.964 -1.313 18905 12503 1 20 . 1 1 107 107 GLY H H 107 8.921 8.921 8.242 0.679 18905 12504 1 20 . 1 1 108 108 SER N N 108 114.479 114.479 115.736 -1.257 18905 12505 1 20 . 1 1 108 108 SER HA H 108 4.294 4.294 4.422 -0.128 18905 12506 1 20 . 1 1 108 108 SER C C 108 172.040 172.040 173.553 -1.513 18905 12507 1 20 . 1 1 108 108 SER CA C 108 55.336 55.336 58.777 -3.441 18905 12508 1 20 . 1 1 108 108 SER H H 108 8.197 8.197 8.431 -0.234 18905 12509 1 20 . 1 1 109 109 LYS N N 109 123.374 123.374 119.315 4.059 18905 12510 1 20 . 1 1 109 109 LYS HA H 109 4.198 4.198 4.485 -0.287 18905 12511 1 20 . 1 1 109 109 LYS C C 109 173.967 173.967 176.135 -2.168 18905 12512 1 20 . 1 1 109 109 LYS CA C 109 53.730 53.730 55.680 -1.950 18905 12513 1 20 . 1 1 109 109 LYS CB C 109 30.137 30.137 33.656 -3.519 18905 12514 1 20 . 1 1 109 109 LYS H H 109 8.306 8.306 8.264 0.042 18905 12515 1 20 . 1 1 110 110 ARG N N 110 134.189 134.189 120.673 13.516 18905 12516 1 20 . 1 1 110 110 ARG HA H 110 4.542 4.542 4.658 -0.116 18905 12517 1 20 . 1 1 110 110 ARG C C 110 173.119 173.119 174.504 -1.385 18905 12518 1 20 . 1 1 110 110 ARG CA C 110 52.474 52.474 55.306 -2.833 18905 12519 1 20 . 1 1 110 110 ARG CB C 110 32.296 32.296 31.778 0.518 18905 12520 1 20 . 1 1 111 111 ASP N N 111 123.210 123.210 120.302 2.908 18905 12521 1 20 . 1 1 111 111 ASP HA H 111 4.519 4.519 5.003 -0.484 18905 12522 1 20 . 1 1 111 111 ASP C C 111 174.187 174.187 174.659 -0.472 18905 12523 1 20 . 1 1 111 111 ASP CA C 111 52.307 52.307 53.992 -1.685 18905 12524 1 20 . 1 1 111 111 ASP CB C 111 40.206 40.206 42.275 -2.069 18905 12525 1 20 . 1 1 111 111 ASP H H 111 8.523 8.523 8.405 0.118 18905 12526 1 20 . 1 1 112 112 MET HA H 112 4.330 4.330 4.713 -0.383 18905 12527 1 20 . 1 1 112 112 MET CA C 112 53.074 53.074 55.567 -2.493 18905 12528 1 20 . 1 1 112 112 MET CB C 112 30.057 30.057 34.655 -4.598 18905 12529 1 20 . 1 1 113 113 ALA N N 113 124.061 124.061 125.531 -1.470 18905 12530 1 20 . 1 1 113 113 ALA HA H 113 4.229 4.229 4.633 -0.404 18905 12531 1 20 . 1 1 113 113 ALA C C 113 175.243 175.243 175.959 -0.716 18905 12532 1 20 . 1 1 113 113 ALA CA C 113 49.967 49.967 52.185 -2.218 18905 12533 1 20 . 1 1 113 113 ALA CB C 113 16.436 16.436 19.797 -3.361 18905 12534 1 20 . 1 1 113 113 ALA H H 113 8.214 8.214 8.215 -0.001 18905 12535 1 20 . 1 1 114 114 SER N N 114 114.286 114.286 117.314 -3.028 18905 12536 1 20 . 1 1 114 114 SER HA H 114 4.376 4.376 4.812 -0.436 18905 12537 1 20 . 1 1 114 114 SER CA C 114 55.596 55.596 58.279 -2.683 18905 12538 1 20 . 1 1 114 114 SER CB C 114 61.009 61.009 64.376 -3.368 18905 12539 1 20 . 1 1 114 114 SER H H 114 8.124 8.124 8.678 -0.554 18905 12540 1 20 . 1 1 119 119 ARG N N 119 122.813 122.813 127.207 -4.394 18905 12541 1 20 . 1 1 119 119 ARG HA H 119 4.294 4.294 4.655 -0.361 18905 12542 1 20 . 1 1 119 119 ARG C C 119 173.654 173.654 175.206 -1.552 18905 12543 1 20 . 1 1 119 119 ARG CA C 119 53.701 53.701 55.565 -1.864 18905 12544 1 20 . 1 1 119 119 ARG CB C 119 28.140 28.140 30.547 -2.407 18905 12545 1 20 . 1 1 119 119 ARG H H 119 8.246 8.246 8.497 -0.251 18905 12546 1 20 . 1 1 120 120 ILE N N 120 121.624 121.624 123.702 -2.078 18905 12547 1 20 . 1 1 120 120 ILE HA H 120 4.099 4.099 4.142 -0.043 18905 12548 1 20 . 1 1 120 120 ILE C C 120 173.651 173.651 175.768 -2.117 18905 12549 1 20 . 1 1 120 120 ILE CA C 120 58.593 58.593 62.434 -3.841 18905 12550 1 20 . 1 1 120 120 ILE CB C 120 36.091 36.091 38.507 -2.416 18905 12551 1 20 . 1 1 120 120 ILE H H 120 8.084 8.084 8.385 -0.301 18905 12552 1 20 . 1 1 121 121 SER N N 121 119.953 119.953 123.264 -3.311 18905 12553 1 20 . 1 1 121 121 SER HA H 121 4.378 4.378 4.622 -0.244 18905 12554 1 20 . 1 1 121 121 SER C C 121 170.780 170.780 173.026 -2.246 18905 12555 1 20 . 1 1 121 121 SER CA C 121 55.506 55.506 58.181 -2.675 18905 12556 1 20 . 1 1 121 121 SER CB C 121 61.571 61.571 63.693 -2.122 18905 12557 1 20 . 1 1 121 121 SER H H 121 8.300 8.300 8.471 -0.171 18905 12558 1 20 . 1 1 123 123 ALA N N 123 119.892 119.892 123.761 -3.869 18905 12559 1 20 . 1 1 123 123 ALA HA H 123 4.102 4.102 5.190 -1.088 18905 12560 1 20 . 1 1 123 123 ALA CA C 123 58.473 58.473 53.123 5.351 18905 12561 1 20 . 1 1 123 123 ALA H H 123 8.305 8.305 8.926 -0.621 18905 12562 1 20 . 1 1 124 124 SER N N 124 122.264 122.264 113.741 8.523 18905 12563 1 20 . 1 1 124 124 SER HA H 124 4.384 4.384 4.770 -0.386 18905 12564 1 20 . 1 1 124 124 SER CA C 124 55.632 55.632 58.305 -2.673 18905 12565 1 20 . 1 1 124 124 SER CB C 124 60.925 60.925 64.213 -3.288 18905 12566 1 20 . 1 1 124 124 SER H H 124 8.353 8.353 8.158 0.195 18905 12567 1 20 . 1 1 125 125 VAL N N 125 121.433 121.433 123.051 -1.618 18905 12568 1 20 . 1 1 125 125 VAL HA H 125 4.073 4.073 4.309 -0.236 18905 12569 1 20 . 1 1 125 125 VAL C C 125 173.240 173.240 174.806 -1.566 18905 12570 1 20 . 1 1 125 125 VAL CA C 125 59.588 59.588 63.179 -3.591 18905 12571 1 20 . 1 1 125 125 VAL CB C 125 30.198 30.198 33.503 -3.305 18905 12572 1 20 . 1 1 125 125 VAL H H 125 8.014 8.014 8.415 -0.401 18905 12573 1 20 . 1 1 126 126 ALA N N 126 127.185 127.185 129.494 -2.309 18905 12574 1 20 . 1 1 126 126 ALA HA H 126 4.278 4.278 4.686 -0.408 18905 12575 1 20 . 1 1 126 126 ALA C C 126 175.118 175.118 177.831 -2.713 18905 12576 1 20 . 1 1 126 126 ALA CA C 126 49.919 49.919 51.981 -2.062 18905 12577 1 20 . 1 1 126 126 ALA CB C 126 16.532 16.532 18.859 -2.327 18905 12578 1 20 . 1 1 126 126 ALA H H 126 8.277 8.277 8.187 0.090 18905 12579 1 20 . 1 1 127 127 SER N N 127 115.148 115.148 114.875 0.273 18905 12580 1 20 . 1 1 127 127 SER HA H 127 4.420 4.420 4.478 -0.058 18905 12581 1 20 . 1 1 127 127 SER C C 127 172.168 172.168 174.964 -2.796 18905 12582 1 20 . 1 1 127 127 SER CA C 127 55.770 55.770 59.023 -3.253 18905 12583 1 20 . 1 1 127 127 SER CB C 127 58.992 58.992 63.499 -4.507 18905 12584 1 20 . 1 1 127 127 SER H H 127 8.249 8.249 8.443 -0.194 18905 12585 1 20 . 1 1 128 128 THR N N 128 115.498 115.498 115.479 0.019 18905 12586 1 20 . 1 1 128 128 THR C C 128 171.392 171.392 172.715 -1.323 18905 12587 1 20 . 1 1 128 128 THR CA C 128 59.083 59.083 61.499 -2.416 18905 12588 1 20 . 1 1 128 128 THR H H 128 8.050 8.050 7.480 0.570 18905 12589 1 20 . 1 1 129 129 ALA N N 129 126.543 126.543 124.799 1.744 18905 12590 1 20 . 1 1 129 129 ALA HA H 129 4.236 4.236 4.948 -0.712 18905 12591 1 20 . 1 1 129 129 ALA C C 129 174.650 174.650 176.210 -1.560 18905 12592 1 20 . 1 1 129 129 ALA CA C 129 49.794 49.794 51.350 -1.556 18905 12593 1 20 . 1 1 129 129 ALA CB C 129 16.538 16.538 20.590 -4.052 18905 12594 1 20 . 1 1 129 129 ALA H H 129 8.160 8.160 8.062 0.098 18905 12595 1 20 . 1 1 130 130 ILE N N 130 120.371 120.371 115.324 5.047 18905 12596 1 20 . 1 1 130 130 ILE HA H 130 4.099 4.099 4.546 -0.447 18905 12597 1 20 . 1 1 130 130 ILE C C 130 173.651 173.651 174.172 -0.521 18905 12598 1 20 . 1 1 130 130 ILE CA C 130 58.513 58.513 60.431 -1.918 18905 12599 1 20 . 1 1 130 130 ILE CB C 130 36.091 36.091 39.659 -3.568 18905 12600 1 20 . 1 1 130 130 ILE H H 130 8.043 8.043 8.129 -0.086 18905 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 110 3.234 -0.209 3.243 18905 2 1 1 "Average Difference" HA 109 0.395 0.168 0.359 18905 3 1 1 "Average Difference" C 78 2.400 2.095 1.179 18905 4 1 1 "Average Difference" CA 117 2.724 2.391 1.310 18905 5 1 1 "Average Difference" CB 107 3.314 2.722 1.900 18905 6 1 1 "Average Difference" HN 109 0.490 -0.040 0.491 18905 7 1 2 "Average Difference" N 110 3.138 -0.043 3.152 18905 8 1 2 "Average Difference" HA 109 0.324 0.121 0.302 18905 9 1 2 "Average Difference" C 78 2.401 2.158 1.058 18905 10 1 2 "Average Difference" CA 117 2.802 2.451 1.365 18905 11 1 2 "Average Difference" CB 107 3.091 2.656 1.587 18905 12 1 2 "Average Difference" HN 109 0.475 -0.109 0.464 18905 13 1 3 "Average Difference" N 110 3.219 -0.246 3.224 18905 14 1 3 "Average Difference" HA 109 0.397 0.163 0.363 18905 15 1 3 "Average Difference" C 78 2.310 2.055 1.062 18905 16 1 3 "Average Difference" CA 117 2.663 2.334 1.288 18905 17 1 3 "Average Difference" CB 107 3.293 2.815 1.717 18905 18 1 3 "Average Difference" HN 109 0.485 -0.045 0.485 18905 19 1 4 "Average Difference" N 110 2.828 -0.005 2.840 18905 20 1 4 "Average Difference" HA 109 0.364 0.122 0.345 18905 21 1 4 "Average Difference" C 78 2.340 2.065 1.108 18905 22 1 4 "Average Difference" CA 117 2.786 2.470 1.293 18905 23 1 4 "Average Difference" CB 107 3.124 2.615 1.718 18905 24 1 4 "Average Difference" HN 109 0.488 -0.062 0.486 18905 25 1 5 "Average Difference" N 110 3.110 -0.298 3.110 18905 26 1 5 "Average Difference" HA 109 0.360 0.149 0.330 18905 27 1 5 "Average Difference" C 78 2.323 2.021 1.152 18905 28 1 5 "Average Difference" CA 117 2.701 2.366 1.309 18905 29 1 5 "Average Difference" CB 107 3.220 2.757 1.672 18905 30 1 5 "Average Difference" HN 109 0.502 -0.050 0.501 18905 31 1 6 "Average Difference" N 110 3.042 -0.480 3.017 18905 32 1 6 "Average Difference" HA 109 0.372 0.131 0.349 18905 33 1 6 "Average Difference" C 78 2.388 2.044 1.244 18905 34 1 6 "Average Difference" CA 117 2.710 2.358 1.342 18905 35 1 6 "Average Difference" CB 107 3.241 2.719 1.772 18905 36 1 6 "Average Difference" HN 109 0.476 -0.060 0.474 18905 37 1 7 "Average Difference" N 110 3.100 0.140 3.111 18905 38 1 7 "Average Difference" HA 109 0.360 0.124 0.340 18905 39 1 7 "Average Difference" C 78 2.336 2.088 1.056 18905 40 1 7 "Average Difference" CA 117 2.743 2.386 1.360 18905 41 1 7 "Average Difference" CB 107 3.064 2.593 1.640 18905 42 1 7 "Average Difference" HN 109 0.513 -0.074 0.510 18905 43 1 8 "Average Difference" N 110 3.019 -0.231 3.024 18905 44 1 8 "Average Difference" HA 109 0.363 0.161 0.327 18905 45 1 8 "Average Difference" C 78 2.313 2.032 1.112 18905 46 1 8 "Average Difference" CA 117 2.733 2.368 1.372 18905 47 1 8 "Average Difference" CB 107 3.303 2.795 1.767 18905 48 1 8 "Average Difference" HN 109 0.487 -0.074 0.483 18905 49 1 9 "Average Difference" N 110 2.962 -0.178 2.970 18905 50 1 9 "Average Difference" HA 109 0.415 0.183 0.374 18905 51 1 9 "Average Difference" C 78 2.279 1.980 1.137 18905 52 1 9 "Average Difference" CA 117 2.722 2.350 1.380 18905 53 1 9 "Average Difference" CB 107 3.338 2.843 1.758 18905 54 1 9 "Average Difference" HN 109 0.481 -0.056 0.480 18905 55 1 10 "Average Difference" N 110 2.954 -0.175 2.963 18905 56 1 10 "Average Difference" HA 109 0.396 0.180 0.354 18905 57 1 10 "Average Difference" C 78 2.331 2.022 1.167 18905 58 1 10 "Average Difference" CA 117 2.753 2.385 1.381 18905 59 1 10 "Average Difference" CB 107 3.302 2.817 1.731 18905 60 1 10 "Average Difference" HN 109 0.548 -0.022 0.550 18905 61 1 11 "Average Difference" N 110 3.453 -0.539 3.426 18905 62 1 11 "Average Difference" HA 109 0.376 0.164 0.340 18905 63 1 11 "Average Difference" C 78 2.331 2.027 1.157 18905 64 1 11 "Average Difference" CA 117 2.704 2.329 1.381 18905 65 1 11 "Average Difference" CB 107 3.223 2.865 1.483 18905 66 1 11 "Average Difference" HN 109 0.472 -0.087 0.466 18905 67 1 12 "Average Difference" N 110 3.075 -0.342 3.070 18905 68 1 12 "Average Difference" HA 109 0.354 0.133 0.330 18905 69 1 12 "Average Difference" C 78 2.385 2.107 1.124 18905 70 1 12 "Average Difference" CA 117 2.722 2.388 1.313 18905 71 1 12 "Average Difference" CB 107 3.202 2.703 1.724 18905 72 1 12 "Average Difference" HN 109 0.519 -0.093 0.512 18905 73 1 13 "Average Difference" N 110 3.069 -0.051 3.083 18905 74 1 13 "Average Difference" HA 109 0.371 0.133 0.348 18905 75 1 13 "Average Difference" C 78 2.392 2.095 1.161 18905 76 1 13 "Average Difference" CA 117 2.794 2.461 1.328 18905 77 1 13 "Average Difference" CB 107 3.185 2.679 1.730 18905 78 1 13 "Average Difference" HN 109 0.553 -0.080 0.550 18905 79 1 14 "Average Difference" N 110 3.017 -0.273 3.019 18905 80 1 14 "Average Difference" HA 109 0.401 0.167 0.366 18905 81 1 14 "Average Difference" C 78 2.414 2.124 1.154 18905 82 1 14 "Average Difference" CA 117 2.828 2.483 1.360 18905 83 1 14 "Average Difference" CB 107 3.277 2.826 1.667 18905 84 1 14 "Average Difference" HN 109 0.496 0.013 0.499 18905 85 1 15 "Average Difference" N 110 3.239 -0.165 3.249 18905 86 1 15 "Average Difference" HA 109 0.441 0.171 0.408 18905 87 1 15 "Average Difference" C 78 2.338 2.011 1.200 18905 88 1 15 "Average Difference" CA 117 2.732 2.389 1.331 18905 89 1 15 "Average Difference" CB 107 3.238 2.750 1.718 18905 90 1 15 "Average Difference" HN 109 0.541 -0.057 0.540 18905 91 1 16 "Average Difference" N 110 3.002 -0.274 3.003 18905 92 1 16 "Average Difference" HA 109 0.390 0.172 0.352 18905 93 1 16 "Average Difference" C 78 2.359 2.088 1.105 18905 94 1 16 "Average Difference" CA 117 2.730 2.404 1.299 18905 95 1 16 "Average Difference" CB 107 3.316 2.786 1.806 18905 96 1 16 "Average Difference" HN 109 0.520 -0.097 0.513 18905 97 1 17 "Average Difference" N 110 3.229 0.049 3.244 18905 98 1 17 "Average Difference" HA 109 0.424 0.175 0.388 18905 99 1 17 "Average Difference" C 78 2.370 2.075 1.153 18905 100 1 17 "Average Difference" CA 117 2.728 2.384 1.332 18905 101 1 17 "Average Difference" CB 107 3.290 2.713 1.870 18905 102 1 17 "Average Difference" HN 109 0.525 0.005 0.527 18905 103 1 18 "Average Difference" N 110 3.173 -0.331 3.170 18905 104 1 18 "Average Difference" HA 109 0.391 0.171 0.353 18905 105 1 18 "Average Difference" C 78 2.303 1.978 1.186 18905 106 1 18 "Average Difference" CA 117 2.634 2.257 1.363 18905 107 1 18 "Average Difference" CB 107 3.223 2.728 1.725 18905 108 1 18 "Average Difference" HN 109 0.483 -0.081 0.479 18905 109 1 19 "Average Difference" N 110 3.129 -0.134 3.140 18905 110 1 19 "Average Difference" HA 109 0.380 0.160 0.346 18905 111 1 19 "Average Difference" C 78 2.431 2.159 1.124 18905 112 1 19 "Average Difference" CA 117 2.802 2.441 1.382 18905 113 1 19 "Average Difference" CB 107 3.126 2.627 1.703 18905 114 1 19 "Average Difference" HN 109 0.538 -0.042 0.539 18905 115 1 20 "Average Difference" N 110 3.149 -0.150 3.159 18905 116 1 20 "Average Difference" HA 109 0.364 0.152 0.332 18905 117 1 20 "Average Difference" C 78 2.330 2.106 1.005 18905 118 1 20 "Average Difference" CA 117 2.688 2.400 1.216 18905 119 1 20 "Average Difference" CB 107 3.197 2.766 1.612 18905 120 1 20 "Average Difference" HN 109 0.474 -0.078 0.470 18905 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 18905 _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 4 4 GLY N N 4 110.117 110.117 108.710 1.407 18905 2 1 . 1 1 4 4 GLY C C 4 171.413 171.413 173.190 -1.777 18905 3 1 . 1 1 4 4 GLY CA C 4 42.667 42.667 44.867 -2.200 18905 4 1 . 1 1 4 4 GLY H H 4 8.391 8.391 8.415 -0.024 18905 5 1 . 1 1 5 5 VAL N N 5 119.501 119.501 119.671 -0.170 18905 6 1 . 1 1 5 5 VAL HA H 5 4.018 4.018 4.411 -0.393 18905 7 1 . 1 1 5 5 VAL C C 5 173.738 173.738 175.080 -1.342 18905 8 1 . 1 1 5 5 VAL CA C 5 59.923 59.923 62.079 -2.156 18905 9 1 . 1 1 5 5 VAL CB C 5 30.111 30.111 32.831 -2.720 18905 10 1 . 1 1 5 5 VAL H H 5 7.951 7.951 8.115 -0.164 18905 11 1 . 1 1 6 6 LEU N N 6 125.484 125.484 125.644 -0.160 18905 12 1 . 1 1 6 6 LEU HA H 6 4.280 4.280 4.866 -0.586 18905 13 1 . 1 1 6 6 LEU C C 6 174.708 174.708 175.875 -1.167 18905 14 1 . 1 1 6 6 LEU CA C 6 52.535 52.535 54.771 -2.236 18905 15 1 . 1 1 6 6 LEU CB C 6 39.586 39.586 43.404 -3.818 18905 16 1 . 1 1 6 6 LEU H H 6 8.248 8.248 8.393 -0.145 18905 17 1 . 1 1 7 7 ALA N N 7 124.939 124.939 124.787 0.152 18905 18 1 . 1 1 7 7 ALA HA H 7 4.234 4.234 4.873 -0.639 18905 19 1 . 1 1 7 7 ALA C C 7 174.865 174.865 176.027 -1.162 18905 20 1 . 1 1 7 7 ALA CA C 7 50.136 50.136 51.812 -1.676 18905 21 1 . 1 1 7 7 ALA CB C 7 16.500 16.500 20.740 -4.240 18905 22 1 . 1 1 7 7 ALA H H 7 8.241 8.241 8.457 -0.216 18905 23 1 . 1 1 8 8 SER N N 8 117.901 117.901 115.100 2.801 18905 24 1 . 1 1 8 8 SER HA H 8 4.377 4.377 4.760 -0.383 18905 25 1 . 1 1 8 8 SER C C 8 172.221 172.221 173.244 -1.023 18905 26 1 . 1 1 8 8 SER CA C 8 56.008 56.008 58.109 -2.101 18905 27 1 . 1 1 8 8 SER CB C 8 61.008 61.008 64.311 -3.303 18905 28 1 . 1 1 8 8 SER H H 8 8.347 8.347 8.560 -0.213 18905 29 1 . 1 1 9 9 GLN N N 9 122.019 122.019 121.277 0.742 18905 30 1 . 1 1 9 9 GLN HA H 9 4.302 4.302 4.777 -0.475 18905 31 1 . 1 1 9 9 GLN C C 9 173.160 173.160 174.201 -1.041 18905 32 1 . 1 1 9 9 GLN CA C 9 53.470 53.470 55.322 -1.852 18905 33 1 . 1 1 9 9 GLN CB C 9 26.663 26.663 30.271 -3.608 18905 34 1 . 1 1 9 9 GLN H H 9 8.240 8.240 8.595 -0.355 18905 35 1 . 1 1 10 10 ALA N N 10 124.490 124.490 125.001 -0.511 18905 36 1 . 1 1 10 10 ALA HA H 10 4.238 4.238 4.737 -0.498 18905 37 1 . 1 1 10 10 ALA C C 10 175.142 175.142 175.914 -0.772 18905 38 1 . 1 1 10 10 ALA CA C 10 50.121 50.121 51.800 -1.679 18905 39 1 . 1 1 10 10 ALA CB C 10 16.322 16.322 20.277 -3.955 18905 40 1 . 1 1 10 10 ALA H H 10 8.132 8.132 8.499 -0.367 18905 41 1 . 1 1 11 11 LEU N N 11 120.785 120.785 120.742 0.043 18905 42 1 . 1 1 11 11 LEU HA H 11 4.278 4.278 4.865 -0.587 18905 43 1 . 1 1 11 11 LEU C C 11 174.929 174.929 176.065 -1.136 18905 44 1 . 1 1 11 11 LEU CA C 11 52.612 52.612 54.586 -1.974 18905 45 1 . 1 1 11 11 LEU CB C 11 39.647 39.647 43.772 -4.125 18905 46 1 . 1 1 11 11 LEU H H 11 8.088 8.088 8.454 -0.366 18905 47 1 . 1 1 12 12 SER N N 12 116.121 116.121 116.823 -0.702 18905 48 1 . 1 1 12 12 SER C C 12 171.977 171.977 173.387 -1.410 18905 49 1 . 1 1 12 12 SER CA C 12 55.621 55.621 58.050 -2.429 18905 50 1 . 1 1 12 12 SER CB C 12 56.041 56.041 64.420 -8.379 18905 51 1 . 1 1 12 12 SER H H 12 8.170 8.170 8.530 -0.360 18905 52 1 . 1 1 13 13 GLN N N 13 122.139 122.139 121.066 1.073 18905 53 1 . 1 1 13 13 GLN HA H 13 4.312 4.312 4.761 -0.449 18905 54 1 . 1 1 13 13 GLN CA C 13 54.059 54.059 55.185 -1.126 18905 55 1 . 1 1 13 13 GLN H H 13 8.368 8.368 8.509 -0.141 18905 56 1 . 1 1 14 14 GLY N N 14 109.259 109.259 109.875 -0.616 18905 57 1 . 1 1 14 14 GLY CA C 14 42.970 42.970 45.000 -2.030 18905 58 1 . 1 1 14 14 GLY H H 14 8.378 8.378 8.601 -0.223 18905 59 1 . 1 1 15 15 SER N N 15 115.486 115.486 115.216 0.270 18905 60 1 . 1 1 15 15 SER HA H 15 4.378 4.378 4.804 -0.426 18905 61 1 . 1 1 15 15 SER CA C 15 55.853 55.853 57.625 -1.772 18905 62 1 . 1 1 15 15 SER CB C 15 59.406 59.406 65.520 -6.114 18905 63 1 . 1 1 15 15 SER H H 15 8.085 8.085 8.249 -0.164 18905 64 1 . 1 1 16 16 GLU N N 16 120.501 120.501 122.264 -1.763 18905 65 1 . 1 1 16 16 GLU HA H 16 4.664 4.664 4.703 -0.039 18905 66 1 . 1 1 16 16 GLU CA C 16 50.628 50.628 54.482 -3.854 18905 67 1 . 1 1 16 16 GLU CB C 16 36.442 36.442 30.074 6.368 18905 68 1 . 1 1 16 16 GLU H H 16 8.376 8.376 8.544 -0.168 18905 69 1 . 1 1 17 17 PRO CA C 17 65.700 65.700 62.969 2.731 18905 70 1 . 1 1 22 22 ALA N N 22 124.130 124.130 123.495 0.635 18905 71 1 . 1 1 22 22 ALA HA H 22 4.178 4.178 4.558 -0.380 18905 72 1 . 1 1 22 22 ALA CA C 22 49.746 49.746 51.931 -2.185 18905 73 1 . 1 1 22 22 ALA CB C 22 16.789 16.789 20.214 -3.425 18905 74 1 . 1 1 22 22 ALA H H 22 8.096 8.096 8.266 -0.170 18905 75 1 . 1 1 23 23 ASN N N 23 117.516 117.516 118.958 -1.442 18905 76 1 . 1 1 23 23 ASN HA H 23 4.672 4.672 4.867 -0.195 18905 77 1 . 1 1 23 23 ASN C C 23 171.179 171.179 173.095 -1.916 18905 78 1 . 1 1 23 23 ASN CA C 23 50.084 50.084 52.472 -2.388 18905 79 1 . 1 1 23 23 ASN CB C 23 36.737 36.737 40.840 -4.103 18905 80 1 . 1 1 23 23 ASN H H 23 8.037 8.037 8.332 -0.295 18905 81 1 . 1 1 24 24 ASP N N 24 118.387 118.387 120.514 -2.127 18905 82 1 . 1 1 24 24 ASP HA H 24 4.676 4.676 4.916 -0.240 18905 83 1 . 1 1 24 24 ASP CA C 24 50.660 50.660 53.943 -3.283 18905 84 1 . 1 1 24 24 ASP CB C 24 40.670 40.670 42.462 -1.792 18905 85 1 . 1 1 24 24 ASP H H 24 8.198 8.198 8.450 -0.252 18905 86 1 . 1 1 25 25 THR N N 25 114.224 114.224 116.568 -2.344 18905 87 1 . 1 1 25 25 THR HA H 25 5.275 5.275 4.807 0.468 18905 88 1 . 1 1 25 25 THR CA C 25 59.162 59.162 61.725 -2.563 18905 89 1 . 1 1 25 25 THR CB C 25 68.849 68.849 72.046 -3.197 18905 90 1 . 1 1 25 25 THR H H 25 8.090 8.090 8.230 -0.140 18905 91 1 . 1 1 26 26 ILE N N 26 126.637 126.637 124.218 2.419 18905 92 1 . 1 1 26 26 ILE HA H 26 4.650 4.650 4.400 0.250 18905 93 1 . 1 1 26 26 ILE C C 26 171.500 171.500 174.241 -2.741 18905 94 1 . 1 1 26 26 ILE CA C 26 56.930 56.930 60.237 -3.307 18905 95 1 . 1 1 26 26 ILE CB C 26 38.159 38.159 40.074 -1.915 18905 96 1 . 1 1 26 26 ILE H H 26 9.314 9.314 8.708 0.606 18905 97 1 . 1 1 27 27 ILE N N 27 126.764 126.764 123.819 2.945 18905 98 1 . 1 1 27 27 ILE HA H 27 4.955 4.955 4.904 0.051 18905 99 1 . 1 1 27 27 ILE C C 27 171.462 171.462 173.896 -2.434 18905 100 1 . 1 1 27 27 ILE CA C 27 56.909 56.909 59.203 -2.294 18905 101 1 . 1 1 27 27 ILE CB C 27 38.397 38.397 42.408 -4.011 18905 102 1 . 1 1 27 27 ILE H H 27 9.280 9.280 8.051 1.229 18905 103 1 . 1 1 28 28 LEU N N 28 125.666 125.666 125.671 -0.006 18905 104 1 . 1 1 28 28 LEU HA H 28 4.858 4.858 4.866 -0.008 18905 105 1 . 1 1 28 28 LEU C C 28 172.714 172.714 176.284 -3.570 18905 106 1 . 1 1 28 28 LEU CA C 28 50.153 50.153 53.234 -3.081 18905 107 1 . 1 1 28 28 LEU CB C 28 39.943 39.943 43.352 -3.409 18905 108 1 . 1 1 28 28 LEU H H 28 8.791 8.791 8.572 0.219 18905 109 1 . 1 1 29 29 ARG N N 29 119.656 119.656 119.415 0.241 18905 110 1 . 1 1 29 29 ARG HA H 29 5.023 5.023 4.898 0.125 18905 111 1 . 1 1 29 29 ARG C C 29 172.927 172.927 176.055 -3.128 18905 112 1 . 1 1 29 29 ARG CA C 29 51.933 51.933 54.568 -2.635 18905 113 1 . 1 1 29 29 ARG CB C 29 31.298 31.298 33.624 -2.326 18905 114 1 . 1 1 29 29 ARG H H 29 8.742 8.742 8.284 0.458 18905 115 1 . 1 1 30 30 ASN N N 30 115.104 115.104 116.693 -1.589 18905 116 1 . 1 1 30 30 ASN HA H 30 4.319 4.319 4.378 -0.059 18905 117 1 . 1 1 30 30 ASN C C 30 172.025 172.025 173.912 -1.887 18905 118 1 . 1 1 30 30 ASN CA C 30 51.550 51.550 54.095 -2.545 18905 119 1 . 1 1 30 30 ASN CB C 30 35.656 35.656 37.766 -2.110 18905 120 1 . 1 1 30 30 ASN H H 30 8.292 8.292 8.788 -0.496 18905 121 1 . 1 1 31 31 LEU N N 31 113.394 113.394 118.167 -4.773 18905 122 1 . 1 1 31 31 LEU HA H 31 3.915 3.915 4.432 -0.517 18905 123 1 . 1 1 31 31 LEU C C 31 175.815 175.815 176.327 -0.512 18905 124 1 . 1 1 31 31 LEU CA C 31 52.148 52.148 54.429 -2.281 18905 125 1 . 1 1 31 31 LEU CB C 31 39.876 39.876 43.832 -3.956 18905 126 1 . 1 1 31 31 LEU H H 31 7.602 7.602 7.581 0.021 18905 127 1 . 1 1 32 32 ASN N N 32 123.357 123.357 118.910 4.447 18905 128 1 . 1 1 32 32 ASN HA H 32 4.476 4.476 5.031 -0.555 18905 129 1 . 1 1 32 32 ASN CA C 32 48.784 48.784 51.088 -2.304 18905 130 1 . 1 1 32 32 ASN CB C 32 36.284 36.284 39.303 -3.019 18905 131 1 . 1 1 32 32 ASN H H 32 9.816 9.816 8.247 1.569 18905 132 1 . 1 1 33 33 PRO HA H 33 4.339 4.339 4.407 -0.068 18905 133 1 . 1 1 33 33 PRO CA C 33 61.514 61.514 65.107 -3.593 18905 134 1 . 1 1 33 33 PRO CB C 33 30.320 30.320 31.957 -1.637 18905 135 1 . 1 1 34 34 HIS N N 34 111.187 111.187 114.052 -2.865 18905 136 1 . 1 1 34 34 HIS HA H 34 4.402 4.402 4.703 -0.301 18905 137 1 . 1 1 34 34 HIS CA C 34 53.125 53.125 55.544 -2.419 18905 138 1 . 1 1 34 34 HIS CB C 34 25.760 25.760 29.962 -4.202 18905 139 1 . 1 1 34 34 HIS H H 34 8.856 8.856 8.460 0.396 18905 140 1 . 1 1 35 35 SER N N 35 118.219 118.219 116.561 1.658 18905 141 1 . 1 1 35 35 SER HA H 35 4.718 4.718 4.412 0.306 18905 142 1 . 1 1 35 35 SER CB C 35 60.222 60.222 63.973 -3.751 18905 143 1 . 1 1 35 35 SER H H 35 8.262 8.262 7.748 0.514 18905 144 1 . 1 1 36 36 THR N N 36 114.157 114.157 112.643 1.514 18905 145 1 . 1 1 36 36 THR HA H 36 4.545 4.545 4.683 -0.138 18905 146 1 . 1 1 36 36 THR CA C 36 56.508 56.508 60.406 -3.898 18905 147 1 . 1 1 36 36 THR CB C 36 70.051 70.051 71.106 -1.055 18905 148 1 . 1 1 36 36 THR H H 36 8.451 8.451 8.204 0.247 18905 149 1 . 1 1 37 37 MET N N 37 119.815 119.815 120.238 -0.423 18905 150 1 . 1 1 37 37 MET HA H 37 3.943 3.943 4.207 -0.264 18905 151 1 . 1 1 37 37 MET CA C 37 56.204 56.204 58.622 -2.418 18905 152 1 . 1 1 37 37 MET CB C 37 28.959 28.959 32.253 -3.294 18905 153 1 . 1 1 37 37 MET H H 37 8.928 8.928 8.747 0.181 18905 154 1 . 1 1 38 38 ASP N N 38 115.357 115.357 119.242 -3.885 18905 155 1 . 1 1 38 38 ASP HA H 38 4.301 4.301 4.423 -0.122 18905 156 1 . 1 1 38 38 ASP CA C 38 54.750 54.750 57.536 -2.786 18905 157 1 . 1 1 38 38 ASP CB C 38 37.934 37.934 40.081 -2.147 18905 158 1 . 1 1 38 38 ASP H H 38 8.096 8.096 8.737 -0.641 18905 159 1 . 1 1 39 39 SER N N 39 118.933 118.933 115.728 3.205 18905 160 1 . 1 1 39 39 SER HA H 39 4.253 4.253 4.156 0.097 18905 161 1 . 1 1 39 39 SER C C 39 174.818 174.818 176.160 -1.342 18905 162 1 . 1 1 39 39 SER CA C 39 58.767 58.767 61.496 -2.729 18905 163 1 . 1 1 39 39 SER CB C 39 61.631 61.631 63.002 -1.371 18905 164 1 . 1 1 39 39 SER H H 39 8.088 8.088 7.878 0.210 18905 165 1 . 1 1 40 40 ILE N N 40 124.376 124.376 120.897 3.479 18905 166 1 . 1 1 40 40 ILE HA H 40 3.538 3.538 3.902 -0.364 18905 167 1 . 1 1 40 40 ILE C C 40 174.358 174.358 177.270 -2.912 18905 168 1 . 1 1 40 40 ILE CA C 40 62.936 62.936 64.039 -1.103 18905 169 1 . 1 1 40 40 ILE CB C 40 35.725 35.725 38.239 -2.514 18905 170 1 . 1 1 40 40 ILE H H 40 8.009 8.009 7.646 0.363 18905 171 1 . 1 1 41 41 LEU N N 41 117.914 117.914 120.078 -2.164 18905 172 1 . 1 1 41 41 LEU HA H 41 3.818 3.818 3.964 -0.146 18905 173 1 . 1 1 41 41 LEU C C 41 178.292 178.292 179.026 -0.734 18905 174 1 . 1 1 41 41 LEU CA C 41 55.496 55.496 57.799 -2.303 18905 175 1 . 1 1 41 41 LEU CB C 41 38.574 38.574 41.559 -2.985 18905 176 1 . 1 1 41 41 LEU H H 41 8.574 8.574 7.754 0.820 18905 177 1 . 1 1 42 42 GLY N N 42 105.053 105.053 104.663 0.390 18905 178 1 . 1 1 42 42 GLY C C 42 173.318 173.318 174.653 -1.335 18905 179 1 . 1 1 42 42 GLY CA C 42 44.283 44.283 46.060 -1.777 18905 180 1 . 1 1 42 42 GLY H H 42 8.207 8.207 8.191 0.016 18905 181 1 . 1 1 43 43 ALA N N 43 122.411 122.411 122.846 -0.435 18905 182 1 . 1 1 43 43 ALA HA H 43 4.245 4.245 4.318 -0.073 18905 183 1 . 1 1 43 43 ALA C C 43 176.200 176.200 178.028 -1.828 18905 184 1 . 1 1 43 43 ALA CA C 43 51.148 51.148 53.744 -2.596 18905 185 1 . 1 1 43 43 ALA CB C 43 17.381 17.381 19.612 -2.231 18905 186 1 . 1 1 43 43 ALA H H 43 7.571 7.571 7.597 -0.026 18905 187 1 . 1 1 44 44 LEU N N 44 113.121 113.121 117.338 -4.217 18905 188 1 . 1 1 44 44 LEU HA H 44 4.514 4.514 4.698 -0.184 18905 189 1 . 1 1 44 44 LEU C C 44 174.187 174.187 178.642 -4.455 18905 190 1 . 1 1 44 44 LEU CA C 44 52.247 52.247 54.097 -1.850 18905 191 1 . 1 1 44 44 LEU CB C 44 40.210 40.210 41.458 -1.248 18905 192 1 . 1 1 44 44 LEU H H 44 7.533 7.533 7.856 -0.323 18905 193 1 . 1 1 45 45 ALA N N 45 123.574 123.574 124.823 -1.249 18905 194 1 . 1 1 45 45 ALA HA H 45 4.313 4.313 4.070 0.243 18905 195 1 . 1 1 45 45 ALA CA C 45 53.187 53.187 56.345 -3.158 18905 196 1 . 1 1 45 45 ALA CB C 45 14.134 14.134 16.315 -2.181 18905 197 1 . 1 1 45 45 ALA H H 45 7.398 7.398 8.232 -0.834 18905 198 1 . 1 1 46 46 PRO HA H 46 4.043 4.043 4.235 -0.192 18905 199 1 . 1 1 46 46 PRO CA C 46 61.784 61.784 64.244 -2.460 18905 200 1 . 1 1 46 46 PRO CB C 46 27.999 27.999 31.285 -3.286 18905 201 1 . 1 1 47 47 TYR N N 47 114.404 114.404 117.817 -3.413 18905 202 1 . 1 1 47 47 TYR HA H 47 4.527 4.527 4.718 -0.191 18905 203 1 . 1 1 47 47 TYR CA C 47 54.406 54.406 56.335 -1.929 18905 204 1 . 1 1 47 47 TYR CB C 47 37.537 37.537 38.570 -1.033 18905 205 1 . 1 1 47 47 TYR H H 47 7.897 7.897 7.552 0.345 18905 206 1 . 1 1 48 48 ALA N N 48 119.845 119.845 120.825 -0.980 18905 207 1 . 1 1 48 48 ALA HA H 48 4.360 4.360 4.642 -0.282 18905 208 1 . 1 1 48 48 ALA C C 48 171.938 171.938 175.551 -3.613 18905 209 1 . 1 1 48 48 ALA CA C 48 49.129 49.129 51.369 -2.240 18905 210 1 . 1 1 48 48 ALA CB C 48 19.614 19.614 21.422 -1.808 18905 211 1 . 1 1 48 48 ALA H H 48 8.083 8.083 7.318 0.765 18905 212 1 . 1 1 49 49 VAL N N 49 122.528 122.528 122.465 0.063 18905 213 1 . 1 1 49 49 VAL HA H 49 3.904 3.904 4.306 -0.402 18905 214 1 . 1 1 49 49 VAL C C 49 172.490 172.490 174.820 -2.330 18905 215 1 . 1 1 49 49 VAL CA C 49 60.373 60.373 62.633 -2.260 18905 216 1 . 1 1 49 49 VAL CB C 49 28.257 28.257 31.104 -2.847 18905 217 1 . 1 1 49 49 VAL H H 49 8.414 8.414 8.503 -0.089 18905 218 1 . 1 1 50 50 LEU N N 50 127.924 127.924 123.113 4.811 18905 219 1 . 1 1 50 50 LEU HA H 50 4.650 4.650 4.904 -0.254 18905 220 1 . 1 1 50 50 LEU C C 50 172.488 172.488 175.118 -2.630 18905 221 1 . 1 1 50 50 LEU CA C 50 50.523 50.523 53.738 -3.215 18905 222 1 . 1 1 50 50 LEU CB C 50 42.647 42.647 43.893 -1.246 18905 223 1 . 1 1 50 50 LEU H H 50 7.904 7.904 7.755 0.149 18905 224 1 . 1 1 51 51 SER N N 51 114.999 114.999 113.417 1.582 18905 225 1 . 1 1 51 51 SER HA H 51 4.783 4.783 4.846 -0.063 18905 226 1 . 1 1 51 51 SER C C 51 172.827 172.827 174.715 -1.888 18905 227 1 . 1 1 51 51 SER CA C 51 53.708 53.708 57.373 -3.665 18905 228 1 . 1 1 51 51 SER CB C 51 63.424 63.424 65.482 -2.058 18905 229 1 . 1 1 51 51 SER H H 51 8.623 8.623 8.425 0.198 18905 230 1 . 1 1 52 52 SER N N 52 118.355 118.355 116.203 2.152 18905 231 1 . 1 1 52 52 SER HA H 52 4.301 4.301 4.302 -0.001 18905 232 1 . 1 1 52 52 SER C C 52 173.242 173.242 175.612 -2.370 18905 233 1 . 1 1 52 52 SER CA C 52 58.709 58.709 60.431 -1.722 18905 234 1 . 1 1 52 52 SER CB C 52 59.826 59.826 62.950 -3.123 18905 235 1 . 1 1 52 52 SER H H 52 9.117 9.117 8.639 0.478 18905 236 1 . 1 1 53 53 SER N N 53 114.926 114.926 116.766 -1.840 18905 237 1 . 1 1 53 53 SER HA H 53 4.292 4.292 4.320 -0.028 18905 238 1 . 1 1 53 53 SER CA C 53 57.882 57.882 60.521 -2.639 18905 239 1 . 1 1 53 53 SER CB C 53 60.220 60.220 63.332 -3.112 18905 240 1 . 1 1 53 53 SER H H 53 8.014 8.014 8.018 -0.004 18905 241 1 . 1 1 54 54 ASN N N 54 116.432 116.432 118.871 -2.439 18905 242 1 . 1 1 54 54 ASN HA H 54 4.914 4.914 4.637 0.277 18905 243 1 . 1 1 54 54 ASN C C 54 170.744 170.744 175.590 -4.846 18905 244 1 . 1 1 54 54 ASN CA C 54 52.054 52.054 55.290 -3.236 18905 245 1 . 1 1 54 54 ASN CB C 54 38.952 38.952 39.126 -0.174 18905 246 1 . 1 1 54 54 ASN H H 54 7.996 7.996 7.831 0.165 18905 247 1 . 1 1 55 55 VAL N N 55 118.877 118.877 120.879 -2.002 18905 248 1 . 1 1 55 55 VAL HA H 55 4.891 4.891 4.269 0.622 18905 249 1 . 1 1 55 55 VAL C C 55 171.238 171.238 175.148 -3.910 18905 250 1 . 1 1 55 55 VAL CA C 55 58.709 58.709 62.708 -3.999 18905 251 1 . 1 1 55 55 VAL CB C 55 31.652 31.652 31.361 0.291 18905 252 1 . 1 1 55 55 VAL H H 55 7.421 7.421 7.339 0.082 18905 253 1 . 1 1 56 56 ARG N N 56 125.757 125.757 128.049 -2.292 18905 254 1 . 1 1 56 56 ARG HA H 56 4.708 4.708 4.590 0.118 18905 255 1 . 1 1 56 56 ARG C C 56 172.321 172.321 174.568 -2.247 18905 256 1 . 1 1 56 56 ARG CA C 56 51.878 51.878 54.425 -2.546 18905 257 1 . 1 1 56 56 ARG CB C 56 30.211 30.211 32.571 -2.360 18905 258 1 . 1 1 56 56 ARG H H 56 9.011 9.011 8.704 0.307 18905 259 1 . 1 1 57 57 VAL N N 57 125.646 125.646 125.985 -0.339 18905 260 1 . 1 1 57 57 VAL HA H 57 3.878 3.878 4.058 -0.180 18905 261 1 . 1 1 57 57 VAL C C 57 172.129 172.129 174.654 -2.525 18905 262 1 . 1 1 57 57 VAL CA C 57 59.043 59.043 61.427 -2.384 18905 263 1 . 1 1 57 57 VAL CB C 57 30.019 30.019 32.633 -2.614 18905 264 1 . 1 1 57 57 VAL H H 57 8.794 8.794 8.380 0.414 18905 265 1 . 1 1 58 58 ILE N N 58 127.547 127.547 129.165 -1.618 18905 266 1 . 1 1 58 58 ILE HA H 58 4.049 4.049 4.090 -0.041 18905 267 1 . 1 1 58 58 ILE C C 58 172.672 172.672 175.503 -2.831 18905 268 1 . 1 1 58 58 ILE CA C 58 57.246 57.246 60.402 -3.156 18905 269 1 . 1 1 58 58 ILE CB C 58 32.839 32.839 37.412 -4.573 18905 270 1 . 1 1 58 58 ILE H H 58 7.259 7.259 8.009 -0.750 18905 271 1 . 1 1 59 59 LYS N N 59 127.231 127.231 124.294 2.937 18905 272 1 . 1 1 59 59 LYS HA H 59 4.532 4.532 4.667 -0.135 18905 273 1 . 1 1 59 59 LYS C C 59 173.119 173.119 175.526 -2.407 18905 274 1 . 1 1 59 59 LYS CA C 59 52.444 52.444 54.840 -2.396 18905 275 1 . 1 1 59 59 LYS CB C 59 32.374 32.374 34.852 -2.478 18905 276 1 . 1 1 59 59 LYS H H 59 8.571 8.571 8.125 0.446 18905 277 1 . 1 1 60 60 ASP N N 60 123.232 123.232 120.868 2.364 18905 278 1 . 1 1 60 60 ASP HA H 60 4.496 4.496 4.646 -0.149 18905 279 1 . 1 1 60 60 ASP C C 60 174.118 174.118 176.399 -2.281 18905 280 1 . 1 1 60 60 ASP CA C 60 50.786 50.786 53.930 -3.144 18905 281 1 . 1 1 60 60 ASP CB C 60 40.058 40.058 42.346 -2.288 18905 282 1 . 1 1 60 60 ASP H H 60 8.527 8.527 8.575 -0.048 18905 283 1 . 1 1 61 61 LYS N N 61 125.977 125.977 121.390 4.587 18905 284 1 . 1 1 61 61 LYS HA H 61 3.918 3.918 4.281 -0.363 18905 285 1 . 1 1 61 61 LYS C C 61 174.696 174.696 177.534 -2.839 18905 286 1 . 1 1 61 61 LYS CA C 61 56.017 56.017 57.889 -1.872 18905 287 1 . 1 1 61 61 LYS CB C 61 29.813 29.813 32.852 -3.039 18905 288 1 . 1 1 61 61 LYS H H 61 8.770 8.770 8.515 0.255 18905 289 1 . 1 1 62 62 GLN N N 62 116.732 116.732 118.461 -1.729 18905 290 1 . 1 1 62 62 GLN HA H 62 4.252 4.252 4.172 0.080 18905 291 1 . 1 1 62 62 GLN C C 62 174.793 174.793 176.653 -1.860 18905 292 1 . 1 1 62 62 GLN CA C 62 55.001 55.001 57.512 -2.511 18905 293 1 . 1 1 62 62 GLN CB C 62 26.516 26.516 29.318 -2.802 18905 294 1 . 1 1 62 62 GLN H H 62 8.538 8.538 8.601 -0.063 18905 295 1 . 1 1 63 63 THR N N 63 108.519 108.519 110.019 -1.500 18905 296 1 . 1 1 63 63 THR HA H 63 4.265 4.265 4.520 -0.255 18905 297 1 . 1 1 63 63 THR CA C 63 59.302 59.302 60.054 -0.752 18905 298 1 . 1 1 63 63 THR CB C 63 67.891 67.891 70.828 -2.937 18905 299 1 . 1 1 63 63 THR H H 63 7.882 7.882 7.934 -0.052 18905 300 1 . 1 1 64 64 GLN N N 64 113.890 113.890 118.792 -4.902 18905 301 1 . 1 1 64 64 GLN HA H 64 3.829 3.829 4.610 -0.781 18905 302 1 . 1 1 64 64 GLN C C 64 172.129 172.129 174.843 -2.714 18905 303 1 . 1 1 64 64 GLN CA C 64 54.560 54.560 54.785 -0.225 18905 304 1 . 1 1 64 64 GLN CB C 64 23.812 23.812 28.334 -4.522 18905 305 1 . 1 1 64 64 GLN H H 64 8.188 8.188 8.474 -0.285 18905 306 1 . 1 1 65 65 LEU N N 65 119.516 119.516 119.981 -0.465 18905 307 1 . 1 1 65 65 LEU HA H 65 4.463 4.463 4.626 -0.163 18905 308 1 . 1 1 65 65 LEU C C 65 174.174 174.174 175.663 -1.489 18905 309 1 . 1 1 65 65 LEU CA C 65 51.024 51.024 53.110 -2.086 18905 310 1 . 1 1 65 65 LEU CB C 65 39.608 39.608 45.052 -5.444 18905 311 1 . 1 1 65 65 LEU H H 65 7.682 7.682 7.473 0.209 18905 312 1 . 1 1 66 66 ASN N N 66 117.776 117.776 118.460 -0.684 18905 313 1 . 1 1 66 66 ASN HA H 66 4.958 4.958 4.809 0.149 18905 314 1 . 1 1 66 66 ASN C C 66 171.913 171.913 176.345 -4.432 18905 315 1 . 1 1 66 66 ASN CA C 66 50.440 50.440 53.415 -2.975 18905 316 1 . 1 1 66 66 ASN CB C 66 36.771 36.771 39.071 -2.300 18905 317 1 . 1 1 66 66 ASN H H 66 8.771 8.771 8.239 0.532 18905 318 1 . 1 1 67 67 ARG N N 67 117.508 117.508 122.074 -4.566 18905 319 1 . 1 1 67 67 ARG HA H 67 4.193 4.193 4.382 -0.189 18905 320 1 . 1 1 67 67 ARG CA C 67 53.615 53.615 56.411 -2.796 18905 321 1 . 1 1 67 67 ARG CB C 67 28.137 28.137 30.278 -2.141 18905 322 1 . 1 1 67 67 ARG H H 67 8.313 8.313 8.325 -0.012 18905 323 1 . 1 1 68 68 GLY N N 68 107.904 107.904 106.983 0.921 18905 324 1 . 1 1 68 68 GLY CA C 68 42.842 42.842 45.388 -2.546 18905 325 1 . 1 1 68 68 GLY H H 68 9.437 9.437 8.607 0.830 18905 326 1 . 1 1 69 69 PHE N N 69 113.804 113.804 115.418 -1.614 18905 327 1 . 1 1 69 69 PHE HA H 69 5.754 5.754 5.462 0.292 18905 328 1 . 1 1 69 69 PHE C C 69 170.151 170.151 172.701 -2.550 18905 329 1 . 1 1 69 69 PHE CA C 69 51.625 51.625 54.672 -3.047 18905 330 1 . 1 1 69 69 PHE CB C 69 39.587 39.587 41.322 -1.735 18905 331 1 . 1 1 69 69 PHE H H 69 6.750 6.750 7.428 -0.678 18905 332 1 . 1 1 70 70 ALA N N 70 118.965 118.965 119.342 -0.377 18905 333 1 . 1 1 70 70 ALA HA H 70 4.807 4.807 4.260 0.547 18905 334 1 . 1 1 70 70 ALA C C 70 171.693 171.693 174.594 -2.901 18905 335 1 . 1 1 70 70 ALA CA C 70 47.155 47.155 51.072 -3.917 18905 336 1 . 1 1 70 70 ALA CB C 70 21.153 21.153 22.007 -0.854 18905 337 1 . 1 1 70 70 ALA H H 70 8.526 8.526 7.882 0.644 18905 338 1 . 1 1 71 71 PHE N N 71 117.469 117.469 117.648 -0.179 18905 339 1 . 1 1 71 71 PHE HA H 71 5.537 5.537 5.474 0.063 18905 340 1 . 1 1 71 71 PHE C C 71 172.630 172.630 174.453 -1.823 18905 341 1 . 1 1 71 71 PHE CA C 71 52.609 52.609 56.128 -3.519 18905 342 1 . 1 1 71 71 PHE CB C 71 39.675 39.675 44.121 -4.447 18905 343 1 . 1 1 71 71 PHE H H 71 8.824 8.824 8.592 0.232 18905 344 1 . 1 1 72 72 ILE N N 72 122.867 122.867 120.486 2.381 18905 345 1 . 1 1 72 72 ILE HA H 72 5.022 5.022 4.762 0.260 18905 346 1 . 1 1 72 72 ILE CA C 72 56.881 56.881 60.385 -3.504 18905 347 1 . 1 1 72 72 ILE CB C 72 37.031 37.031 41.724 -4.693 18905 348 1 . 1 1 72 72 ILE H H 72 9.555 9.555 8.956 0.599 18905 349 1 . 1 1 73 73 GLN N N 73 128.422 128.422 126.858 1.564 18905 350 1 . 1 1 73 73 GLN HA H 73 5.170 5.170 4.383 0.787 18905 351 1 . 1 1 73 73 GLN CA C 73 52.252 52.252 56.118 -3.866 18905 352 1 . 1 1 73 73 GLN CB C 73 28.291 28.291 29.737 -1.446 18905 353 1 . 1 1 73 73 GLN H H 73 8.964 8.964 8.309 0.655 18905 354 1 . 1 1 74 74 LEU N N 74 126.707 126.707 123.986 2.721 18905 355 1 . 1 1 74 74 LEU HA H 74 4.789 4.789 4.657 0.132 18905 356 1 . 1 1 74 74 LEU CA C 74 50.617 50.617 53.649 -3.032 18905 357 1 . 1 1 74 74 LEU CB C 74 44.885 44.885 45.592 -0.707 18905 358 1 . 1 1 74 74 LEU H H 74 8.420 8.420 8.286 0.134 18905 359 1 . 1 1 75 75 SER HA H 75 4.284 4.284 4.715 -0.431 18905 360 1 . 1 1 75 75 SER CA C 75 55.390 55.390 57.579 -2.189 18905 361 1 . 1 1 75 75 SER CB C 75 61.275 61.275 64.596 -3.321 18905 362 1 . 1 1 76 76 THR N N 76 116.193 116.193 117.199 -1.006 18905 363 1 . 1 1 76 76 THR HA H 76 3.994 3.994 4.140 -0.146 18905 364 1 . 1 1 76 76 THR C C 76 174.630 174.630 176.438 -1.808 18905 365 1 . 1 1 76 76 THR CA C 76 64.225 64.225 65.879 -1.654 18905 366 1 . 1 1 76 76 THR CB C 76 66.003 66.003 68.641 -2.638 18905 367 1 . 1 1 76 76 THR H H 76 8.614 8.614 8.627 -0.013 18905 368 1 . 1 1 77 77 ILE N N 77 120.400 120.400 120.476 -0.076 18905 369 1 . 1 1 77 77 ILE HA H 77 3.911 3.911 3.855 0.056 18905 370 1 . 1 1 77 77 ILE C C 77 175.577 175.577 177.573 -1.996 18905 371 1 . 1 1 77 77 ILE CA C 77 61.264 61.264 64.356 -3.092 18905 372 1 . 1 1 77 77 ILE CB C 77 35.379 35.379 37.529 -2.150 18905 373 1 . 1 1 77 77 ILE H H 77 8.044 8.044 8.202 -0.158 18905 374 1 . 1 1 78 78 GLU N N 78 120.562 120.562 119.533 1.029 18905 375 1 . 1 1 78 78 GLU HA H 78 4.062 4.062 4.056 0.006 18905 376 1 . 1 1 78 78 GLU C C 78 176.596 176.596 178.510 -1.914 18905 377 1 . 1 1 78 78 GLU CA C 78 56.355 56.355 59.364 -3.009 18905 378 1 . 1 1 78 78 GLU CB C 78 27.668 27.668 29.091 -1.423 18905 379 1 . 1 1 78 78 GLU H H 78 7.548 7.548 8.304 -0.756 18905 380 1 . 1 1 79 79 ALA N N 79 122.789 122.789 121.281 1.508 18905 381 1 . 1 1 79 79 ALA HA H 79 3.923 3.923 4.183 -0.260 18905 382 1 . 1 1 79 79 ALA C C 79 175.736 175.736 178.596 -2.860 18905 383 1 . 1 1 79 79 ALA CA C 79 52.649 52.649 54.488 -1.839 18905 384 1 . 1 1 79 79 ALA CB C 79 15.305 15.305 18.229 -2.924 18905 385 1 . 1 1 79 79 ALA H H 79 9.279 9.279 8.236 1.043 18905 386 1 . 1 1 80 80 ALA N N 80 118.643 118.643 120.181 -1.538 18905 387 1 . 1 1 80 80 ALA HA H 80 4.001 4.001 4.135 -0.134 18905 388 1 . 1 1 80 80 ALA C C 80 177.943 177.943 178.899 -0.956 18905 389 1 . 1 1 80 80 ALA CA C 80 52.521 52.521 54.117 -1.596 18905 390 1 . 1 1 80 80 ALA CB C 80 15.281 15.281 18.844 -3.563 18905 391 1 . 1 1 80 80 ALA H H 80 7.688 7.688 7.700 -0.012 18905 392 1 . 1 1 81 81 GLN N N 81 116.877 116.877 117.862 -0.985 18905 393 1 . 1 1 81 81 GLN HA H 81 4.015 4.015 4.200 -0.185 18905 394 1 . 1 1 81 81 GLN CA C 81 55.760 55.760 57.685 -1.925 18905 395 1 . 1 1 81 81 GLN CB C 81 25.786 25.786 28.899 -3.113 18905 396 1 . 1 1 81 81 GLN H H 81 7.593 7.593 7.967 -0.374 18905 397 1 . 1 1 82 82 LEU N N 82 119.946 119.946 121.988 -2.042 18905 398 1 . 1 1 82 82 LEU HA H 82 4.121 4.121 4.033 0.088 18905 399 1 . 1 1 82 82 LEU C C 82 175.358 175.358 178.786 -3.428 18905 400 1 . 1 1 82 82 LEU CA C 82 54.781 54.781 57.458 -2.677 18905 401 1 . 1 1 82 82 LEU CB C 82 38.240 38.240 41.434 -3.194 18905 402 1 . 1 1 82 82 LEU H H 82 8.258 8.258 8.039 0.219 18905 403 1 . 1 1 83 83 LEU N N 83 119.288 119.288 119.214 0.074 18905 404 1 . 1 1 83 83 LEU HA H 83 3.585 3.585 3.875 -0.290 18905 405 1 . 1 1 83 83 LEU C C 83 175.365 175.365 178.446 -3.081 18905 406 1 . 1 1 83 83 LEU CA C 83 56.142 56.142 58.171 -2.029 18905 407 1 . 1 1 83 83 LEU CB C 83 38.875 38.875 41.713 -2.838 18905 408 1 . 1 1 83 83 LEU H H 83 8.407 8.407 7.804 0.603 18905 409 1 . 1 1 84 84 GLN N N 84 115.391 115.391 117.720 -2.329 18905 410 1 . 1 1 84 84 GLN HA H 84 3.878 3.878 4.047 -0.169 18905 411 1 . 1 1 84 84 GLN C C 84 176.472 176.472 178.243 -1.771 18905 412 1 . 1 1 84 84 GLN CA C 84 56.142 56.142 58.474 -2.332 18905 413 1 . 1 1 84 84 GLN CB C 84 25.733 25.733 28.588 -2.855 18905 414 1 . 1 1 84 84 GLN H H 84 7.347 7.347 7.655 -0.308 18905 415 1 . 1 1 85 85 ILE N N 85 119.593 119.593 120.293 -0.700 18905 416 1 . 1 1 85 85 ILE HA H 85 3.607 3.607 3.709 -0.102 18905 417 1 . 1 1 85 85 ILE CA C 85 61.779 61.779 64.214 -2.435 18905 418 1 . 1 1 85 85 ILE CB C 85 35.948 35.948 38.087 -2.139 18905 419 1 . 1 1 85 85 ILE H H 85 7.650 7.650 7.563 0.087 18905 420 1 . 1 1 86 86 LEU N N 86 116.537 116.537 119.326 -2.789 18905 421 1 . 1 1 86 86 LEU HA H 86 3.757 3.757 4.007 -0.250 18905 422 1 . 1 1 86 86 LEU C C 86 177.610 177.610 179.027 -1.417 18905 423 1 . 1 1 86 86 LEU CA C 86 54.521 54.521 57.713 -3.192 18905 424 1 . 1 1 86 86 LEU CB C 86 39.226 39.226 41.180 -1.954 18905 425 1 . 1 1 86 86 LEU H H 86 8.410 8.410 8.127 0.283 18905 426 1 . 1 1 87 87 GLN N N 87 115.959 115.959 117.255 -1.296 18905 427 1 . 1 1 87 87 GLN HA H 87 4.009 4.009 4.127 -0.118 18905 428 1 . 1 1 87 87 GLN C C 87 174.156 174.156 176.683 -2.527 18905 429 1 . 1 1 87 87 GLN CA C 87 55.735 55.735 57.630 -1.895 18905 430 1 . 1 1 87 87 GLN CB C 87 25.516 25.516 28.358 -2.842 18905 431 1 . 1 1 87 87 GLN H H 87 8.406 8.406 7.773 0.633 18905 432 1 . 1 1 88 88 ALA N N 88 120.044 120.044 120.750 -0.706 18905 433 1 . 1 1 88 88 ALA HA H 88 4.338 4.338 4.455 -0.117 18905 434 1 . 1 1 88 88 ALA C C 88 174.373 174.373 176.415 -2.042 18905 435 1 . 1 1 88 88 ALA CA C 88 48.933 48.933 52.255 -3.322 18905 436 1 . 1 1 88 88 ALA CB C 88 16.681 16.681 20.068 -3.387 18905 437 1 . 1 1 88 88 ALA H H 88 7.110 7.110 7.701 -0.591 18905 438 1 . 1 1 89 89 LEU N N 89 119.696 119.696 116.867 2.829 18905 439 1 . 1 1 89 89 LEU HA H 89 3.929 3.929 4.804 -0.875 18905 440 1 . 1 1 89 89 LEU C C 89 175.387 175.387 174.879 0.508 18905 441 1 . 1 1 89 89 LEU CA C 89 53.364 53.364 54.387 -1.023 18905 442 1 . 1 1 89 89 LEU CB C 89 39.775 39.775 44.071 -4.296 18905 443 1 . 1 1 89 89 LEU H H 89 6.693 6.693 7.421 -0.728 18905 444 1 . 1 1 90 90 HIS N N 90 120.136 120.136 116.507 3.629 18905 445 1 . 1 1 90 90 HIS HA H 90 4.419 4.419 4.978 -0.559 18905 446 1 . 1 1 90 90 HIS CA C 90 50.226 50.226 53.414 -3.188 18905 447 1 . 1 1 90 90 HIS CB C 90 27.853 27.853 30.608 -2.755 18905 448 1 . 1 1 90 90 HIS H H 90 8.299 8.299 8.201 0.098 18905 449 1 . 1 1 91 91 PRO HA H 91 4.367 4.367 4.767 -0.400 18905 450 1 . 1 1 91 91 PRO CA C 91 60.550 60.550 61.588 -1.038 18905 451 1 . 1 1 91 91 PRO CB C 91 29.416 29.416 31.822 -2.406 18905 452 1 . 1 1 92 92 PRO HA H 92 4.815 4.815 4.421 0.394 18905 453 1 . 1 1 92 92 PRO CA C 92 59.812 59.812 63.598 -3.786 18905 454 1 . 1 1 92 92 PRO CB C 92 30.119 30.119 32.048 -1.929 18905 455 1 . 1 1 93 93 LEU N N 93 121.469 121.469 121.056 0.413 18905 456 1 . 1 1 93 93 LEU HA H 93 3.954 3.954 4.459 -0.505 18905 457 1 . 1 1 93 93 LEU CA C 93 53.500 53.500 54.874 -1.374 18905 458 1 . 1 1 93 93 LEU CB C 93 39.889 39.889 41.833 -1.944 18905 459 1 . 1 1 93 93 LEU H H 93 8.404 8.404 7.852 0.552 18905 460 1 . 1 1 94 94 THR HA H 94 5.276 5.276 4.577 0.699 18905 461 1 . 1 1 94 94 THR CA C 94 57.077 57.077 61.742 -4.665 18905 462 1 . 1 1 94 94 THR CB C 94 69.076 69.076 69.379 -0.303 18905 463 1 . 1 1 95 95 ILE N N 95 121.239 121.239 125.353 -4.114 18905 464 1 . 1 1 95 95 ILE HA H 95 4.184 4.184 4.138 0.046 18905 465 1 . 1 1 95 95 ILE CA C 95 58.054 58.054 61.333 -3.279 18905 466 1 . 1 1 95 95 ILE CB C 95 37.534 37.534 39.356 -1.822 18905 467 1 . 1 1 95 95 ILE H H 95 8.317 8.317 8.336 -0.019 18905 468 1 . 1 1 96 96 ASP N N 96 130.909 130.909 126.928 3.981 18905 469 1 . 1 1 96 96 ASP HA H 96 4.292 4.292 4.278 0.014 18905 470 1 . 1 1 96 96 ASP CA C 96 53.001 53.001 55.366 -2.365 18905 471 1 . 1 1 96 96 ASP CB C 96 37.114 37.114 40.115 -3.001 18905 472 1 . 1 1 96 96 ASP H H 96 9.837 9.837 9.009 0.828 18905 473 1 . 1 1 97 97 GLY N N 97 102.578 102.578 104.248 -1.670 18905 474 1 . 1 1 97 97 GLY C C 97 170.992 170.992 174.301 -3.309 18905 475 1 . 1 1 97 97 GLY CA C 97 42.754 42.754 45.298 -2.544 18905 476 1 . 1 1 97 97 GLY H H 97 8.638 8.638 8.038 0.600 18905 477 1 . 1 1 98 98 LYS N N 98 120.330 120.330 121.130 -0.800 18905 478 1 . 1 1 98 98 LYS HA H 98 4.629 4.629 4.595 0.034 18905 479 1 . 1 1 98 98 LYS C C 98 172.675 172.675 175.628 -2.953 18905 480 1 . 1 1 98 98 LYS CA C 98 50.304 50.304 54.832 -4.528 18905 481 1 . 1 1 98 98 LYS CB C 98 31.136 31.136 33.032 -1.896 18905 482 1 . 1 1 98 98 LYS H H 98 7.440 7.440 8.038 -0.598 18905 483 1 . 1 1 99 99 THR N N 99 119.612 119.612 113.115 6.497 18905 484 1 . 1 1 99 99 THR HA H 99 4.356 4.356 4.471 -0.115 18905 485 1 . 1 1 99 99 THR C C 99 171.511 171.511 173.600 -2.089 18905 486 1 . 1 1 99 99 THR CA C 99 60.382 60.382 60.640 -0.258 18905 487 1 . 1 1 99 99 THR CB C 99 65.967 65.967 70.501 -4.534 18905 488 1 . 1 1 99 99 THR H H 99 8.626 8.626 8.163 0.463 18905 489 1 . 1 1 100 100 ILE N N 100 129.389 129.389 122.258 7.131 18905 490 1 . 1 1 100 100 ILE HA H 100 4.358 4.358 4.301 0.057 18905 491 1 . 1 1 100 100 ILE C C 100 172.710 172.710 175.801 -3.091 18905 492 1 . 1 1 100 100 ILE CA C 100 55.202 55.202 59.770 -4.568 18905 493 1 . 1 1 100 100 ILE CB C 100 34.925 34.925 37.536 -2.611 18905 494 1 . 1 1 100 100 ILE H H 100 8.463 8.463 8.403 0.060 18905 495 1 . 1 1 101 101 ASN N N 101 123.767 123.767 124.620 -0.853 18905 496 1 . 1 1 101 101 ASN HA H 101 4.904 4.904 4.840 0.064 18905 497 1 . 1 1 101 101 ASN C C 101 170.860 170.860 174.502 -3.642 18905 498 1 . 1 1 101 101 ASN CA C 101 49.884 49.884 52.730 -2.846 18905 499 1 . 1 1 101 101 ASN CB C 101 38.364 38.364 40.313 -1.949 18905 500 1 . 1 1 101 101 ASN H H 101 7.878 7.878 8.425 -0.548 18905 501 1 . 1 1 102 102 VAL N N 102 122.207 122.207 119.603 2.604 18905 502 1 . 1 1 102 102 VAL HA H 102 4.933 4.933 4.345 0.588 18905 503 1 . 1 1 102 102 VAL C C 102 175.222 175.222 174.591 0.631 18905 504 1 . 1 1 102 102 VAL CA C 102 57.981 57.981 61.377 -3.396 18905 505 1 . 1 1 102 102 VAL CB C 102 31.183 31.183 33.405 -2.222 18905 506 1 . 1 1 102 102 VAL H H 102 8.503 8.503 8.364 0.139 18905 507 1 . 1 1 103 103 GLU N N 103 124.079 124.079 126.946 -2.867 18905 508 1 . 1 1 103 103 GLU HA H 103 4.557 4.557 4.605 -0.048 18905 509 1 . 1 1 103 103 GLU CA C 103 51.772 51.772 55.491 -3.719 18905 510 1 . 1 1 103 103 GLU CB C 103 31.226 31.226 33.790 -2.564 18905 511 1 . 1 1 103 103 GLU H H 103 8.627 8.627 8.528 0.099 18905 512 1 . 1 1 104 104 PHE N N 104 121.287 121.287 119.617 1.670 18905 513 1 . 1 1 104 104 PHE HA H 104 5.047 5.047 5.024 0.023 18905 514 1 . 1 1 104 104 PHE C C 104 173.023 173.023 174.326 -1.303 18905 515 1 . 1 1 104 104 PHE CA C 104 55.305 55.305 55.528 -0.223 18905 516 1 . 1 1 104 104 PHE CB C 104 38.342 38.342 41.424 -3.082 18905 517 1 . 1 1 104 104 PHE H H 104 8.778 8.778 8.584 0.194 18905 518 1 . 1 1 105 105 ALA N N 105 127.703 127.703 126.665 1.038 18905 519 1 . 1 1 105 105 ALA HA H 105 4.278 4.278 4.491 -0.213 18905 520 1 . 1 1 105 105 ALA C C 105 172.939 172.939 176.034 -3.095 18905 521 1 . 1 1 105 105 ALA CA C 105 48.936 48.936 51.764 -2.828 18905 522 1 . 1 1 105 105 ALA CB C 105 17.822 17.822 19.020 -1.198 18905 523 1 . 1 1 105 105 ALA H H 105 8.630 8.630 8.681 -0.051 18905 524 1 . 1 1 106 106 LYS N N 106 121.259 121.259 120.770 0.489 18905 525 1 . 1 1 106 106 LYS HA H 106 4.211 4.211 4.377 -0.166 18905 526 1 . 1 1 106 106 LYS C C 106 174.939 174.939 176.663 -1.724 18905 527 1 . 1 1 106 106 LYS CA C 106 52.995 52.995 55.876 -2.881 18905 528 1 . 1 1 106 106 LYS CB C 106 30.290 30.290 32.872 -2.582 18905 529 1 . 1 1 106 106 LYS H H 106 8.289 8.289 7.466 0.823 18905 530 1 . 1 1 107 107 GLY N N 107 111.965 111.965 109.807 2.158 18905 531 1 . 1 1 107 107 GLY C C 107 171.215 171.215 173.367 -2.152 18905 532 1 . 1 1 107 107 GLY CA C 107 42.651 42.651 44.753 -2.102 18905 533 1 . 1 1 107 107 GLY H H 107 8.921 8.921 8.293 0.628 18905 534 1 . 1 1 108 108 SER N N 108 114.479 114.479 115.147 -0.668 18905 535 1 . 1 1 108 108 SER HA H 108 4.294 4.294 4.576 -0.282 18905 536 1 . 1 1 108 108 SER C C 108 172.040 172.040 173.633 -1.593 18905 537 1 . 1 1 108 108 SER CA C 108 55.336 55.336 58.009 -2.673 18905 538 1 . 1 1 108 108 SER H H 108 8.197 8.197 8.163 0.034 18905 539 1 . 1 1 109 109 LYS N N 109 123.374 123.374 121.883 1.491 18905 540 1 . 1 1 109 109 LYS HA H 109 4.198 4.198 4.504 -0.306 18905 541 1 . 1 1 109 109 LYS C C 109 173.967 173.967 175.653 -1.686 18905 542 1 . 1 1 109 109 LYS CA C 109 53.730 53.730 56.145 -2.415 18905 543 1 . 1 1 109 109 LYS CB C 109 30.137 30.137 33.538 -3.401 18905 544 1 . 1 1 109 109 LYS H H 109 8.306 8.306 8.442 -0.136 18905 545 1 . 1 1 110 110 ARG N N 110 134.189 134.189 121.395 12.794 18905 546 1 . 1 1 110 110 ARG HA H 110 4.542 4.542 4.571 -0.029 18905 547 1 . 1 1 110 110 ARG C C 110 173.119 173.119 174.690 -1.571 18905 548 1 . 1 1 110 110 ARG CA C 110 52.474 52.474 55.635 -3.161 18905 549 1 . 1 1 110 110 ARG CB C 110 32.296 32.296 31.797 0.499 18905 550 1 . 1 1 111 111 ASP N N 111 123.210 123.210 121.831 1.379 18905 551 1 . 1 1 111 111 ASP HA H 111 4.519 4.519 4.811 -0.292 18905 552 1 . 1 1 111 111 ASP C C 111 174.187 174.187 175.121 -0.934 18905 553 1 . 1 1 111 111 ASP CA C 111 52.307 52.307 54.048 -1.741 18905 554 1 . 1 1 111 111 ASP CB C 111 40.206 40.206 41.986 -1.780 18905 555 1 . 1 1 111 111 ASP H H 111 8.523 8.523 8.446 0.077 18905 556 1 . 1 1 112 112 MET HA H 112 4.330 4.330 4.744 -0.414 18905 557 1 . 1 1 112 112 MET CA C 112 53.074 53.074 55.244 -2.170 18905 558 1 . 1 1 112 112 MET CB C 112 30.057 30.057 34.348 -4.291 18905 559 1 . 1 1 113 113 ALA N N 113 124.061 124.061 125.226 -1.165 18905 560 1 . 1 1 113 113 ALA HA H 113 4.229 4.229 4.843 -0.614 18905 561 1 . 1 1 113 113 ALA C C 113 175.243 175.243 175.802 -0.559 18905 562 1 . 1 1 113 113 ALA CA C 113 49.967 49.967 51.970 -2.003 18905 563 1 . 1 1 113 113 ALA CB C 113 16.436 16.436 20.577 -4.141 18905 564 1 . 1 1 113 113 ALA H H 113 8.214 8.214 8.414 -0.200 18905 565 1 . 1 1 114 114 SER N N 114 114.286 114.286 115.385 -1.099 18905 566 1 . 1 1 114 114 SER HA H 114 4.376 4.376 4.755 -0.379 18905 567 1 . 1 1 114 114 SER CA C 114 55.596 55.596 58.085 -2.489 18905 568 1 . 1 1 114 114 SER CB C 114 61.009 61.009 64.305 -3.296 18905 569 1 . 1 1 114 114 SER H H 114 8.124 8.124 8.560 -0.436 18905 570 1 . 1 1 119 119 ARG N N 119 122.813 122.813 123.949 -1.136 18905 571 1 . 1 1 119 119 ARG HA H 119 4.294 4.294 4.586 -0.292 18905 572 1 . 1 1 119 119 ARG C C 119 173.654 173.654 174.604 -0.950 18905 573 1 . 1 1 119 119 ARG CA C 119 53.701 53.701 56.047 -2.346 18905 574 1 . 1 1 119 119 ARG CB C 119 28.140 28.140 29.926 -1.787 18905 575 1 . 1 1 119 119 ARG H H 119 8.246 8.246 8.361 -0.115 18905 576 1 . 1 1 120 120 ILE N N 120 121.624 121.624 121.822 -0.198 18905 577 1 . 1 1 120 120 ILE HA H 120 4.099 4.099 4.552 -0.453 18905 578 1 . 1 1 120 120 ILE C C 120 173.651 173.651 175.439 -1.788 18905 579 1 . 1 1 120 120 ILE CA C 120 58.593 58.593 60.516 -1.923 18905 580 1 . 1 1 120 120 ILE CB C 120 36.091 36.091 39.886 -3.795 18905 581 1 . 1 1 120 120 ILE H H 120 8.084 8.084 8.191 -0.107 18905 582 1 . 1 1 121 121 SER N N 121 119.953 119.953 118.662 1.291 18905 583 1 . 1 1 121 121 SER HA H 121 4.378 4.378 4.906 -0.528 18905 584 1 . 1 1 121 121 SER C C 121 170.780 170.780 173.334 -2.554 18905 585 1 . 1 1 121 121 SER CA C 121 55.506 55.506 57.820 -2.314 18905 586 1 . 1 1 121 121 SER CB C 121 61.571 61.571 64.461 -2.890 18905 587 1 . 1 1 121 121 SER H H 121 8.300 8.300 8.587 -0.287 18905 588 1 . 1 1 123 123 ALA N N 123 119.892 119.892 122.109 -2.217 18905 589 1 . 1 1 123 123 ALA HA H 123 4.102 4.102 4.631 -0.529 18905 590 1 . 1 1 123 123 ALA CA C 123 58.473 58.473 52.748 5.725 18905 591 1 . 1 1 123 123 ALA H H 123 8.305 8.305 8.554 -0.249 18905 592 1 . 1 1 124 124 SER N N 124 122.264 122.264 113.544 8.720 18905 593 1 . 1 1 124 124 SER HA H 124 4.384 4.384 4.841 -0.457 18905 594 1 . 1 1 124 124 SER CA C 124 55.632 55.632 57.994 -2.362 18905 595 1 . 1 1 124 124 SER CB C 124 60.925 60.925 64.829 -3.904 18905 596 1 . 1 1 124 124 SER H H 124 8.353 8.353 8.109 0.244 18905 597 1 . 1 1 125 125 VAL N N 125 121.433 121.433 121.113 0.320 18905 598 1 . 1 1 125 125 VAL HA H 125 4.073 4.073 4.497 -0.424 18905 599 1 . 1 1 125 125 VAL C C 125 173.240 173.240 174.432 -1.192 18905 600 1 . 1 1 125 125 VAL CA C 125 59.588 59.588 62.358 -2.770 18905 601 1 . 1 1 125 125 VAL CB C 125 30.198 30.198 33.707 -3.509 18905 602 1 . 1 1 125 125 VAL H H 125 8.014 8.014 8.434 -0.420 18905 603 1 . 1 1 126 126 ALA N N 126 127.185 127.185 128.624 -1.439 18905 604 1 . 1 1 126 126 ALA HA H 126 4.278 4.278 4.816 -0.538 18905 605 1 . 1 1 126 126 ALA C C 126 175.118 175.118 176.364 -1.246 18905 606 1 . 1 1 126 126 ALA CA C 126 49.919 49.919 52.022 -2.103 18905 607 1 . 1 1 126 126 ALA CB C 126 16.532 16.532 20.164 -3.632 18905 608 1 . 1 1 126 126 ALA H H 126 8.277 8.277 8.388 -0.111 18905 609 1 . 1 1 127 127 SER N N 127 115.148 115.148 115.916 -0.768 18905 610 1 . 1 1 127 127 SER HA H 127 4.420 4.420 4.577 -0.157 18905 611 1 . 1 1 127 127 SER C C 127 172.168 172.168 174.105 -1.937 18905 612 1 . 1 1 127 127 SER CA C 127 55.770 55.770 58.439 -2.669 18905 613 1 . 1 1 127 127 SER CB C 127 58.992 58.992 63.666 -4.674 18905 614 1 . 1 1 127 127 SER H H 127 8.249 8.249 8.609 -0.360 18905 615 1 . 1 1 128 128 THR N N 128 115.498 115.498 115.943 -0.445 18905 616 1 . 1 1 128 128 THR C C 128 171.392 171.392 173.352 -1.960 18905 617 1 . 1 1 128 128 THR CA C 128 59.083 59.083 61.851 -2.768 18905 618 1 . 1 1 128 128 THR H H 128 8.050 8.050 7.919 0.131 18905 619 1 . 1 1 129 129 ALA N N 129 126.543 126.543 126.223 0.320 18905 620 1 . 1 1 129 129 ALA HA H 129 4.236 4.236 4.873 -0.637 18905 621 1 . 1 1 129 129 ALA C C 129 174.650 174.650 176.014 -1.364 18905 622 1 . 1 1 129 129 ALA CA C 129 49.794 49.794 51.585 -1.791 18905 623 1 . 1 1 129 129 ALA CB C 129 16.538 16.538 20.329 -3.791 18905 624 1 . 1 1 129 129 ALA H H 129 8.160 8.160 8.514 -0.354 18905 625 1 . 1 1 130 130 ILE N N 130 120.371 120.371 118.316 2.055 18905 626 1 . 1 1 130 130 ILE HA H 130 4.099 4.099 4.760 -0.661 18905 627 1 . 1 1 130 130 ILE C C 130 173.651 173.651 175.379 -1.728 18905 628 1 . 1 1 130 130 ILE CA C 130 58.513 58.513 60.844 -2.331 18905 629 1 . 1 1 130 130 ILE CB C 130 36.091 36.091 39.751 -3.660 18905 630 1 . 1 1 130 130 ILE H H 130 8.043 8.043 8.702 -0.659 18905 stop_ save_