data_17879 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17879 _Entry.PDB_ID 2LI5 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 17879 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 MET N N 1 122.410 122.410 119.039 3.371 17879 2 1 1 . 1 1 2 2 MET HA H 1 4.455 4.455 4.579 -0.124 17879 3 1 1 . 1 1 2 2 MET C C 1 175.655 175.655 175.156 0.499 17879 4 1 1 . 1 1 2 2 MET CA C 1 55.438 55.438 55.663 -0.225 17879 5 1 1 . 1 1 2 2 MET CB C 1 33.126 33.126 33.185 -0.059 17879 6 1 1 . 1 1 2 2 MET H H 1 8.425 8.425 8.362 0.063 17879 7 1 1 . 1 1 3 3 LYS N N 2 123.656 123.656 117.771 5.885 17879 8 1 1 . 1 1 3 3 LYS HA H 2 4.326 4.326 4.489 -0.163 17879 9 1 1 . 1 1 3 3 LYS C C 2 176.266 176.266 176.312 -0.046 17879 10 1 1 . 1 1 3 3 LYS CA C 2 56.348 56.348 55.556 0.792 17879 11 1 1 . 1 1 3 3 LYS CB C 2 33.219 33.219 33.926 -0.707 17879 12 1 1 . 1 1 3 3 LYS H H 2 8.512 8.512 8.562 -0.050 17879 13 1 1 . 1 1 4 4 SER N N 3 118.350 118.350 115.905 2.445 17879 14 1 1 . 1 1 4 4 SER HA H 3 4.631 4.631 4.572 0.059 17879 15 1 1 . 1 1 4 4 SER C C 3 175.421 175.421 174.490 0.931 17879 16 1 1 . 1 1 4 4 SER CA C 3 57.629 57.629 57.182 0.447 17879 17 1 1 . 1 1 4 4 SER CB C 3 64.079 64.079 64.237 -0.158 17879 18 1 1 . 1 1 4 4 SER H H 3 8.426 8.426 8.214 0.212 17879 19 1 1 . 1 1 5 5 THR N N 4 127.775 127.775 116.270 11.505 17879 20 1 1 . 1 1 5 5 THR HA H 4 4.482 4.482 4.448 0.034 17879 21 1 1 . 1 1 5 5 THR C C 4 174.680 174.680 174.884 -0.204 17879 22 1 1 . 1 1 5 5 THR CA C 4 62.001 62.001 62.874 -0.873 17879 23 1 1 . 1 1 5 5 THR CB C 4 70.137 70.137 69.522 0.615 17879 24 1 1 . 1 1 5 5 THR H H 4 9.971 9.971 8.384 1.587 17879 25 1 1 . 1 1 6 6 PHE N N 5 123.021 123.021 123.177 -0.156 17879 26 1 1 . 1 1 6 6 PHE HA H 5 4.125 4.125 4.366 -0.241 17879 27 1 1 . 1 1 6 6 PHE C C 5 177.064 177.064 175.876 1.188 17879 28 1 1 . 1 1 6 6 PHE CA C 5 63.041 63.041 60.468 2.572 17879 29 1 1 . 1 1 6 6 PHE CB C 5 40.828 40.828 39.116 1.712 17879 30 1 1 . 1 1 6 6 PHE H H 5 8.863 8.863 8.622 0.241 17879 31 1 1 . 1 1 7 7 LYS N N 6 114.006 114.006 116.398 -2.392 17879 32 1 1 . 1 1 7 7 LYS HA H 6 3.916 3.916 3.966 -0.050 17879 33 1 1 . 1 1 7 7 LYS C C 6 177.535 177.535 175.761 1.774 17879 34 1 1 . 1 1 7 7 LYS CA C 6 60.026 60.026 56.696 3.330 17879 35 1 1 . 1 1 7 7 LYS CB C 6 33.611 33.611 32.568 1.044 17879 36 1 1 . 1 1 7 7 LYS H H 6 8.661 8.661 7.954 0.707 17879 37 1 1 . 1 1 8 8 SER N N 7 111.149 111.149 114.440 -3.291 17879 38 1 1 . 1 1 8 8 SER HA H 7 4.275 4.275 4.264 0.011 17879 39 1 1 . 1 1 8 8 SER C C 7 175.689 175.689 175.720 -0.031 17879 40 1 1 . 1 1 8 8 SER CA C 7 60.007 60.007 59.789 0.218 17879 41 1 1 . 1 1 8 8 SER CB C 7 63.759 63.759 63.821 -0.062 17879 42 1 1 . 1 1 8 8 SER H H 7 7.552 7.552 7.658 -0.106 17879 43 1 1 . 1 1 9 9 GLU N N 8 122.296 122.296 120.957 1.339 17879 44 1 1 . 1 1 9 9 GLU HA H 8 3.818 3.818 3.956 -0.138 17879 45 1 1 . 1 1 9 9 GLU C C 8 176.068 176.068 176.848 -0.780 17879 46 1 1 . 1 1 9 9 GLU CA C 8 58.137 58.137 58.645 -0.508 17879 47 1 1 . 1 1 9 9 GLU CB C 8 30.965 30.965 29.892 1.073 17879 48 1 1 . 1 1 9 9 GLU H H 8 7.924 7.924 7.931 -0.007 17879 49 1 1 . 1 1 10 10 TYR N N 9 115.131 115.131 112.825 2.306 17879 50 1 1 . 1 1 10 10 TYR HA H 9 5.066 5.066 4.862 0.204 17879 51 1 1 . 1 1 10 10 TYR CA C 9 53.958 53.958 53.802 0.156 17879 52 1 1 . 1 1 10 10 TYR CB C 9 41.055 41.055 37.865 3.190 17879 53 1 1 . 1 1 10 10 TYR H H 9 7.052 7.052 6.706 0.346 17879 54 1 1 . 1 1 11 11 PRO HA H 10 4.708 4.708 4.625 0.083 17879 55 1 1 . 1 1 11 11 PRO C C 10 177.384 177.384 177.322 0.062 17879 56 1 1 . 1 1 11 11 PRO CA C 10 62.279 62.279 62.091 0.188 17879 57 1 1 . 1 1 11 11 PRO CB C 10 33.087 33.087 32.850 0.237 17879 58 1 1 . 1 1 12 12 PHE N N 11 125.307 125.307 121.342 3.965 17879 59 1 1 . 1 1 12 12 PHE HA H 11 3.883 3.883 4.283 -0.400 17879 60 1 1 . 1 1 12 12 PHE C C 11 176.157 176.157 177.138 -0.981 17879 61 1 1 . 1 1 12 12 PHE CA C 11 63.156 63.156 62.029 1.127 17879 62 1 1 . 1 1 12 12 PHE CB C 11 39.935 39.935 39.235 0.700 17879 63 1 1 . 1 1 12 12 PHE H H 11 9.385 9.385 8.665 0.720 17879 64 1 1 . 1 1 13 13 GLU N N 12 115.356 115.356 118.125 -2.769 17879 65 1 1 . 1 1 13 13 GLU HA H 12 3.857 3.857 3.943 -0.086 17879 66 1 1 . 1 1 13 13 GLU C C 12 179.598 179.598 179.080 0.518 17879 67 1 1 . 1 1 13 13 GLU CA C 12 60.317 60.317 59.883 0.434 17879 68 1 1 . 1 1 13 13 GLU CB C 12 28.642 28.642 28.885 -0.243 17879 69 1 1 . 1 1 13 13 GLU H H 12 9.800 9.800 9.162 0.638 17879 70 1 1 . 1 1 14 14 LYS N N 13 118.194 118.194 118.932 -0.738 17879 71 1 1 . 1 1 14 14 LYS HA H 13 4.246 4.246 4.047 0.199 17879 72 1 1 . 1 1 14 14 LYS C C 13 178.804 178.804 178.868 -0.064 17879 73 1 1 . 1 1 14 14 LYS CA C 13 58.143 58.143 59.094 -0.951 17879 74 1 1 . 1 1 14 14 LYS CB C 13 32.770 32.770 32.410 0.360 17879 75 1 1 . 1 1 14 14 LYS H H 13 7.160 7.160 7.415 -0.255 17879 76 1 1 . 1 1 15 15 ARG N N 14 120.949 120.949 119.745 1.204 17879 77 1 1 . 1 1 15 15 ARG HA H 14 3.892 3.892 3.971 -0.079 17879 78 1 1 . 1 1 15 15 ARG C C 14 176.858 176.858 178.387 -1.529 17879 79 1 1 . 1 1 15 15 ARG CA C 14 61.520 61.520 59.533 1.987 17879 80 1 1 . 1 1 15 15 ARG CB C 14 32.840 32.840 29.936 2.904 17879 81 1 1 . 1 1 15 15 ARG H H 14 7.686 7.686 8.235 -0.549 17879 82 1 1 . 1 1 16 16 LYS N N 15 119.224 119.224 119.934 -0.710 17879 83 1 1 . 1 1 16 16 LYS HA H 15 4.449 4.449 4.330 0.119 17879 84 1 1 . 1 1 16 16 LYS C C 15 177.796 177.796 178.863 -1.067 17879 85 1 1 . 1 1 16 16 LYS CA C 15 57.366 57.366 59.255 -1.889 17879 86 1 1 . 1 1 16 16 LYS CB C 15 32.529 32.529 31.747 0.782 17879 87 1 1 . 1 1 16 16 LYS H H 15 8.667 8.667 7.731 0.936 17879 88 1 1 . 1 1 17 17 ALA N N 16 117.777 117.777 120.570 -2.793 17879 89 1 1 . 1 1 17 17 ALA HA H 16 4.164 4.164 4.177 -0.013 17879 90 1 1 . 1 1 17 17 ALA C C 16 180.641 180.641 179.558 1.083 17879 91 1 1 . 1 1 17 17 ALA CA C 16 54.627 54.627 54.655 -0.028 17879 92 1 1 . 1 1 17 17 ALA CB C 16 18.114 18.114 18.068 0.046 17879 93 1 1 . 1 1 17 17 ALA H H 16 7.305 7.305 7.777 -0.472 17879 94 1 1 . 1 1 18 18 GLU N N 17 119.934 119.934 119.544 0.390 17879 95 1 1 . 1 1 18 18 GLU HA H 17 4.695 4.695 4.161 0.534 17879 96 1 1 . 1 1 18 18 GLU C C 17 178.339 178.339 178.873 -0.534 17879 97 1 1 . 1 1 18 18 GLU CA C 17 58.173 58.173 58.873 -0.700 17879 98 1 1 . 1 1 18 18 GLU CB C 17 28.765 28.765 29.426 -0.661 17879 99 1 1 . 1 1 18 18 GLU H H 17 7.849 7.849 8.191 -0.342 17879 100 1 1 . 1 1 19 19 SER N N 18 117.685 117.685 114.906 2.779 17879 101 1 1 . 1 1 19 19 SER HA H 18 3.542 3.542 4.128 -0.586 17879 102 1 1 . 1 1 19 19 SER C C 18 178.206 178.206 177.109 1.097 17879 103 1 1 . 1 1 19 19 SER CA C 18 62.108 62.108 61.275 0.833 17879 104 1 1 . 1 1 19 19 SER CB C 18 59.839 59.839 62.851 -3.012 17879 105 1 1 . 1 1 19 19 SER H H 18 8.785 8.785 8.845 -0.060 17879 106 1 1 . 1 1 20 20 GLU N N 19 124.346 124.346 121.292 3.054 17879 107 1 1 . 1 1 20 20 GLU HA H 19 3.988 3.988 4.214 -0.226 17879 108 1 1 . 1 1 20 20 GLU C C 19 178.788 178.788 177.885 0.903 17879 109 1 1 . 1 1 20 20 GLU CA C 19 59.701 59.701 58.575 1.127 17879 110 1 1 . 1 1 20 20 GLU CB C 19 29.318 29.318 29.622 -0.304 17879 111 1 1 . 1 1 20 20 GLU H H 19 8.052 8.052 7.867 0.185 17879 112 1 1 . 1 1 21 21 ARG N N 20 122.089 122.089 117.836 4.253 17879 113 1 1 . 1 1 21 21 ARG HA H 20 4.093 4.093 4.403 -0.310 17879 114 1 1 . 1 1 21 21 ARG C C 20 179.458 179.458 178.946 0.512 17879 115 1 1 . 1 1 21 21 ARG CA C 20 59.500 59.500 57.550 1.950 17879 116 1 1 . 1 1 21 21 ARG CB C 20 30.412 30.412 31.301 -0.889 17879 117 1 1 . 1 1 21 21 ARG H H 20 7.958 7.958 7.787 0.171 17879 118 1 1 . 1 1 22 22 ILE N N 21 119.893 119.893 120.898 -1.005 17879 119 1 1 . 1 1 22 22 ILE HA H 21 3.623 3.623 3.887 -0.264 17879 120 1 1 . 1 1 22 22 ILE C C 21 176.842 176.842 176.810 0.032 17879 121 1 1 . 1 1 22 22 ILE CA C 21 65.145 65.145 64.391 0.754 17879 122 1 1 . 1 1 22 22 ILE CB C 21 38.195 38.195 37.786 0.409 17879 123 1 1 . 1 1 22 22 ILE H H 21 8.277 8.277 8.694 -0.417 17879 124 1 1 . 1 1 23 23 ALA N N 22 121.816 121.816 121.406 0.410 17879 125 1 1 . 1 1 23 23 ALA HA H 22 4.071 4.071 4.143 -0.072 17879 126 1 1 . 1 1 23 23 ALA C C 22 179.199 179.199 177.939 1.260 17879 127 1 1 . 1 1 23 23 ALA CA C 22 54.519 54.519 54.128 0.391 17879 128 1 1 . 1 1 23 23 ALA CB C 22 18.001 18.001 18.651 -0.650 17879 129 1 1 . 1 1 23 23 ALA H H 22 7.962 7.962 7.797 0.165 17879 130 1 1 . 1 1 24 24 ASP N N 23 114.866 114.866 116.380 -1.514 17879 131 1 1 . 1 1 24 24 ASP HA H 23 4.401 4.401 4.605 -0.204 17879 132 1 1 . 1 1 24 24 ASP C C 23 177.324 177.324 177.350 -0.026 17879 133 1 1 . 1 1 24 24 ASP CA C 23 56.248 56.248 54.602 1.646 17879 134 1 1 . 1 1 24 24 ASP CB C 23 42.193 42.193 41.618 0.575 17879 135 1 1 . 1 1 24 24 ASP H H 23 7.368 7.368 7.961 -0.593 17879 136 1 1 . 1 1 25 25 ARG N N 24 116.868 116.868 118.817 -1.949 17879 137 1 1 . 1 1 25 25 ARG HA H 24 3.922 3.922 4.131 -0.209 17879 138 1 1 . 1 1 25 25 ARG C C 24 176.266 176.266 176.384 -0.118 17879 139 1 1 . 1 1 25 25 ARG CA C 24 57.158 57.158 57.278 -0.120 17879 140 1 1 . 1 1 25 25 ARG CB C 24 31.477 31.477 32.480 -1.003 17879 141 1 1 . 1 1 25 25 ARG H H 24 7.815 7.815 7.362 0.453 17879 142 1 1 . 1 1 26 26 PHE N N 25 116.737 116.737 117.829 -1.092 17879 143 1 1 . 1 1 26 26 PHE HA H 25 5.084 5.084 4.959 0.125 17879 144 1 1 . 1 1 26 26 PHE CA C 25 54.304 54.304 55.161 -0.857 17879 145 1 1 . 1 1 26 26 PHE CB C 25 39.026 39.026 39.749 -0.723 17879 146 1 1 . 1 1 26 26 PHE H H 25 8.658 8.658 8.106 0.552 17879 147 1 1 . 1 1 27 27 PRO HA H 26 4.503 4.503 4.390 0.113 17879 148 1 1 . 1 1 27 27 PRO C C 26 177.538 177.538 176.950 0.588 17879 149 1 1 . 1 1 27 27 PRO CA C 26 64.394 64.394 64.118 0.276 17879 150 1 1 . 1 1 27 27 PRO CB C 26 31.961 31.961 32.100 -0.139 17879 151 1 1 . 1 1 28 28 ASN N N 27 114.596 114.596 117.203 -2.607 17879 152 1 1 . 1 1 28 28 ASN HA H 27 4.725 4.725 4.828 -0.103 17879 153 1 1 . 1 1 28 28 ASN C C 27 174.678 174.678 174.075 0.603 17879 154 1 1 . 1 1 28 28 ASN CA C 27 52.868 52.868 52.937 -0.069 17879 155 1 1 . 1 1 28 28 ASN CB C 27 38.331 38.331 37.945 0.386 17879 156 1 1 . 1 1 28 28 ASN H H 27 8.537 8.537 8.714 -0.177 17879 157 1 1 . 1 1 29 29 ARG N N 28 116.946 116.946 119.055 -2.109 17879 158 1 1 . 1 1 29 29 ARG HA H 28 4.769 4.769 4.508 0.261 17879 159 1 1 . 1 1 29 29 ARG C C 28 174.469 174.469 174.209 0.260 17879 160 1 1 . 1 1 29 29 ARG CA C 28 52.948 52.948 54.467 -1.519 17879 161 1 1 . 1 1 29 29 ARG CB C 28 32.941 32.941 33.539 -0.598 17879 162 1 1 . 1 1 29 29 ARG H H 28 7.580 7.580 7.218 0.361 17879 163 1 1 . 1 1 30 30 ILE N N 29 121.854 121.854 121.149 0.705 17879 164 1 1 . 1 1 30 30 ILE HA H 29 4.098 4.098 4.021 0.077 17879 165 1 1 . 1 1 30 30 ILE CA C 29 55.558 55.558 56.742 -1.184 17879 166 1 1 . 1 1 30 30 ILE CB C 29 38.805 38.805 39.514 -0.709 17879 167 1 1 . 1 1 30 30 ILE H H 29 9.262 9.262 8.703 0.559 17879 168 1 1 . 1 1 31 31 PRO HA H 30 4.856 4.856 4.586 0.270 17879 169 1 1 . 1 1 31 31 PRO C C 30 174.121 174.121 176.286 -2.165 17879 170 1 1 . 1 1 31 31 PRO CA C 30 61.705 61.705 62.370 -0.665 17879 171 1 1 . 1 1 31 31 PRO CB C 30 30.966 30.966 31.132 -0.166 17879 172 1 1 . 1 1 32 32 VAL N N 31 127.197 127.197 120.044 7.153 17879 173 1 1 . 1 1 32 32 VAL HA H 31 4.997 4.997 4.887 0.110 17879 174 1 1 . 1 1 32 32 VAL C C 31 174.181 174.181 173.571 0.610 17879 175 1 1 . 1 1 32 32 VAL CA C 31 60.620 60.620 59.640 0.980 17879 176 1 1 . 1 1 32 32 VAL CB C 31 35.645 35.645 35.968 -0.323 17879 177 1 1 . 1 1 32 32 VAL H H 31 9.096 9.096 9.138 -0.042 17879 178 1 1 . 1 1 33 33 ILE N N 32 127.157 127.157 120.609 6.548 17879 179 1 1 . 1 1 33 33 ILE HA H 32 4.917 4.917 4.521 0.396 17879 180 1 1 . 1 1 33 33 ILE C C 32 174.991 174.991 175.096 -0.105 17879 181 1 1 . 1 1 33 33 ILE CA C 32 56.589 56.589 59.726 -3.137 17879 182 1 1 . 1 1 33 33 ILE CB C 32 35.908 35.908 38.828 -2.920 17879 183 1 1 . 1 1 33 33 ILE H H 32 8.775 8.775 8.481 0.294 17879 184 1 1 . 1 1 34 34 CYS N N 33 129.280 129.280 127.312 1.968 17879 185 1 1 . 1 1 34 34 CYS HA H 33 5.559 5.559 4.452 1.107 17879 186 1 1 . 1 1 34 34 CYS C C 33 173.218 173.218 173.693 -0.475 17879 187 1 1 . 1 1 34 34 CYS CA C 33 57.121 57.121 59.440 -2.319 17879 188 1 1 . 1 1 34 34 CYS CB C 33 28.880 28.880 28.254 0.626 17879 189 1 1 . 1 1 34 34 CYS H H 33 9.738 9.738 8.957 0.781 17879 190 1 1 . 1 1 35 35 GLU N N 34 124.130 124.130 125.767 -1.637 17879 191 1 1 . 1 1 35 35 GLU HA H 34 4.977 4.977 4.695 0.282 17879 192 1 1 . 1 1 35 35 GLU C C 34 174.190 174.190 173.751 0.439 17879 193 1 1 . 1 1 35 35 GLU CA C 34 54.308 54.308 54.972 -0.664 17879 194 1 1 . 1 1 35 35 GLU CB C 34 35.281 35.281 33.850 1.431 17879 195 1 1 . 1 1 35 35 GLU H H 34 8.531 8.531 8.156 0.375 17879 196 1 1 . 1 1 36 36 LYS N N 35 123.562 123.562 122.204 1.358 17879 197 1 1 . 1 1 36 36 LYS HA H 35 3.056 3.056 4.392 -1.336 17879 198 1 1 . 1 1 36 36 LYS C C 35 177.452 177.452 175.896 1.556 17879 199 1 1 . 1 1 36 36 LYS CA C 35 56.374 56.374 53.644 2.730 17879 200 1 1 . 1 1 36 36 LYS CB C 35 32.750 32.750 34.221 -1.471 17879 201 1 1 . 1 1 36 36 LYS H H 35 8.949 8.949 8.591 0.358 17879 202 1 1 . 1 1 37 37 ALA N N 36 129.494 129.494 129.402 0.092 17879 203 1 1 . 1 1 37 37 ALA HA H 36 4.163 4.163 4.129 0.034 17879 204 1 1 . 1 1 37 37 ALA C C 36 178.375 178.375 177.530 0.845 17879 205 1 1 . 1 1 37 37 ALA CA C 36 52.702 52.702 52.895 -0.193 17879 206 1 1 . 1 1 37 37 ALA CB C 36 18.673 18.673 19.495 -0.822 17879 207 1 1 . 1 1 37 37 ALA H H 36 8.561 8.561 7.771 0.790 17879 208 1 1 . 1 1 38 38 GLU N N 37 125.115 125.115 121.720 3.395 17879 209 1 1 . 1 1 38 38 GLU HA H 37 3.959 3.959 4.083 -0.124 17879 210 1 1 . 1 1 38 38 GLU C C 37 177.516 177.516 177.233 0.283 17879 211 1 1 . 1 1 38 38 GLU CA C 37 59.302 59.302 58.321 0.981 17879 212 1 1 . 1 1 38 38 GLU CB C 37 30.154 30.154 29.469 0.685 17879 213 1 1 . 1 1 38 38 GLU H H 37 8.648 8.648 8.573 0.075 17879 214 1 1 . 1 1 39 39 LYS N N 38 115.020 115.020 119.584 -4.564 17879 215 1 1 . 1 1 39 39 LYS HA H 38 4.188 4.188 4.067 0.121 17879 216 1 1 . 1 1 39 39 LYS C C 38 176.244 176.244 177.493 -1.249 17879 217 1 1 . 1 1 39 39 LYS CA C 38 56.564 56.564 57.373 -0.809 17879 218 1 1 . 1 1 39 39 LYS CB C 38 31.484 31.484 32.206 -0.722 17879 219 1 1 . 1 1 39 39 LYS H H 38 8.494 8.494 8.066 0.428 17879 220 1 1 . 1 1 40 40 SER N N 39 113.091 113.091 113.574 -0.483 17879 221 1 1 . 1 1 40 40 SER HA H 39 4.535 4.535 4.329 0.206 17879 222 1 1 . 1 1 40 40 SER C C 39 174.896 174.896 174.530 0.366 17879 223 1 1 . 1 1 40 40 SER CA C 39 57.985 57.985 59.209 -1.224 17879 224 1 1 . 1 1 40 40 SER CB C 39 65.000 65.000 63.567 1.433 17879 225 1 1 . 1 1 40 40 SER H H 39 7.346 7.346 7.723 -0.377 17879 226 1 1 . 1 1 41 41 ASP N N 40 127.375 127.375 120.567 6.808 17879 227 1 1 . 1 1 41 41 ASP HA H 40 4.782 4.782 4.880 -0.098 17879 228 1 1 . 1 1 41 41 ASP C C 40 175.205 175.205 176.532 -1.327 17879 229 1 1 . 1 1 41 41 ASP CA C 40 53.549 53.549 54.012 -0.463 17879 230 1 1 . 1 1 41 41 ASP CB C 40 39.916 39.916 41.737 -1.821 17879 231 1 1 . 1 1 41 41 ASP H H 40 8.744 8.744 8.597 0.147 17879 232 1 1 . 1 1 42 42 ILE N N 41 122.943 122.943 119.634 3.309 17879 233 1 1 . 1 1 42 42 ILE HA H 41 4.661 4.661 4.569 0.092 17879 234 1 1 . 1 1 42 42 ILE CA C 41 59.133 59.133 58.876 0.257 17879 235 1 1 . 1 1 42 42 ILE CB C 41 40.534 40.534 38.434 2.100 17879 236 1 1 . 1 1 42 42 ILE H H 41 7.649 7.649 7.352 0.297 17879 237 1 1 . 1 1 43 43 PRO HA H 42 4.414 4.414 4.586 -0.172 17879 238 1 1 . 1 1 43 43 PRO C C 42 175.952 175.952 176.352 -0.400 17879 239 1 1 . 1 1 43 43 PRO CA C 42 63.829 63.829 62.479 1.350 17879 240 1 1 . 1 1 43 43 PRO CB C 42 32.895 32.895 32.382 0.513 17879 241 1 1 . 1 1 44 44 GLU N N 43 120.369 120.369 122.837 -2.468 17879 242 1 1 . 1 1 44 44 GLU HA H 43 4.298 4.298 4.254 0.044 17879 243 1 1 . 1 1 44 44 GLU C C 43 175.316 175.316 176.711 -1.395 17879 244 1 1 . 1 1 44 44 GLU CA C 43 56.400 56.400 56.233 0.167 17879 245 1 1 . 1 1 44 44 GLU CB C 43 31.282 31.282 30.670 0.612 17879 246 1 1 . 1 1 44 44 GLU H H 43 8.393 8.393 8.465 -0.072 17879 247 1 1 . 1 1 45 45 ILE N N 44 123.670 123.670 125.791 -2.121 17879 248 1 1 . 1 1 45 45 ILE HA H 44 4.419 4.419 4.145 0.274 17879 249 1 1 . 1 1 45 45 ILE C C 44 174.786 174.786 176.279 -1.493 17879 250 1 1 . 1 1 45 45 ILE CA C 44 61.027 61.027 61.770 -0.743 17879 251 1 1 . 1 1 45 45 ILE CB C 44 40.509 40.509 39.182 1.327 17879 252 1 1 . 1 1 45 45 ILE H H 44 8.067 8.067 8.265 -0.198 17879 253 1 1 . 1 1 46 46 ASP N N 45 123.340 123.340 121.679 1.661 17879 254 1 1 . 1 1 46 46 ASP HA H 45 4.412 4.412 4.586 -0.174 17879 255 1 1 . 1 1 46 46 ASP C C 45 175.494 175.494 175.828 -0.334 17879 256 1 1 . 1 1 46 46 ASP CA C 45 55.467 55.467 56.460 -0.993 17879 257 1 1 . 1 1 46 46 ASP CB C 45 40.320 40.320 41.171 -0.851 17879 258 1 1 . 1 1 46 46 ASP H H 45 8.468 8.468 8.811 -0.343 17879 259 1 1 . 1 1 47 47 LYS N N 46 121.295 121.295 115.604 5.691 17879 260 1 1 . 1 1 47 47 LYS HA H 46 4.428 4.428 4.646 -0.218 17879 261 1 1 . 1 1 47 47 LYS CA C 46 56.020 56.020 54.470 1.550 17879 262 1 1 . 1 1 47 47 LYS CB C 46 34.644 34.644 35.293 -0.649 17879 263 1 1 . 1 1 47 47 LYS H H 46 7.319 7.319 7.748 -0.429 17879 264 1 1 . 1 1 48 48 ARG N N 47 124.949 124.949 120.966 3.983 17879 265 1 1 . 1 1 48 48 ARG HA H 47 5.271 5.271 4.783 0.488 17879 266 1 1 . 1 1 48 48 ARG C C 47 173.546 173.546 175.402 -1.856 17879 267 1 1 . 1 1 48 48 ARG CA C 47 55.581 55.581 55.544 0.037 17879 268 1 1 . 1 1 48 48 ARG CB C 47 32.992 32.992 30.495 2.497 17879 269 1 1 . 1 1 48 48 ARG H H 47 8.558 8.558 8.355 0.203 17879 270 1 1 . 1 1 49 49 LYS N N 48 122.812 122.812 124.657 -1.845 17879 271 1 1 . 1 1 49 49 LYS HA H 48 5.030 5.030 4.141 0.889 17879 272 1 1 . 1 1 49 49 LYS C C 48 174.301 174.301 174.149 0.152 17879 273 1 1 . 1 1 49 49 LYS CA C 48 55.042 55.042 56.278 -1.236 17879 274 1 1 . 1 1 49 49 LYS CB C 48 34.065 34.065 33.562 0.503 17879 275 1 1 . 1 1 49 49 LYS H H 48 7.440 7.440 8.468 -1.028 17879 276 1 1 . 1 1 50 50 TYR N N 49 124.842 124.842 125.094 -0.252 17879 277 1 1 . 1 1 50 50 TYR HA H 49 4.721 4.721 4.729 -0.008 17879 278 1 1 . 1 1 50 50 TYR C C 49 173.674 173.674 174.109 -0.435 17879 279 1 1 . 1 1 50 50 TYR CA C 49 57.192 57.192 56.942 0.250 17879 280 1 1 . 1 1 50 50 TYR CB C 49 43.123 43.123 42.032 1.091 17879 281 1 1 . 1 1 50 50 TYR H H 49 9.590 9.590 9.007 0.583 17879 282 1 1 . 1 1 51 51 LEU N N 50 124.138 124.138 126.951 -2.813 17879 283 1 1 . 1 1 51 51 LEU HA H 50 4.753 4.753 4.793 -0.040 17879 284 1 1 . 1 1 51 51 LEU C C 50 176.050 176.050 175.726 0.324 17879 285 1 1 . 1 1 51 51 LEU CA C 50 53.158 53.158 53.833 -0.675 17879 286 1 1 . 1 1 51 51 LEU CB C 50 41.155 41.155 42.385 -1.230 17879 287 1 1 . 1 1 51 51 LEU H H 50 8.901 8.901 8.848 0.053 17879 288 1 1 . 1 1 52 52 VAL N N 51 123.181 123.181 119.205 3.976 17879 289 1 1 . 1 1 52 52 VAL HA H 51 3.948 3.948 4.546 -0.598 17879 290 1 1 . 1 1 52 52 VAL CA C 51 59.724 59.724 59.356 0.368 17879 291 1 1 . 1 1 52 52 VAL CB C 51 33.605 33.605 31.851 1.754 17879 292 1 1 . 1 1 52 52 VAL H H 51 8.513 8.513 7.979 0.534 17879 293 1 1 . 1 1 53 53 PRO HA H 52 4.305 4.305 4.376 -0.071 17879 294 1 1 . 1 1 53 53 PRO C C 52 176.607 176.607 176.028 0.579 17879 295 1 1 . 1 1 53 53 PRO CA C 52 63.950 63.950 61.995 1.955 17879 296 1 1 . 1 1 53 53 PRO CB C 52 32.163 32.163 32.413 -0.251 17879 297 1 1 . 1 1 54 54 ALA N N 53 123.771 123.771 119.703 4.068 17879 298 1 1 . 1 1 54 54 ALA HA H 53 3.720 3.720 4.213 -0.493 17879 299 1 1 . 1 1 54 54 ALA C C 53 176.409 176.409 176.788 -0.379 17879 300 1 1 . 1 1 54 54 ALA CA C 53 54.742 54.742 52.575 2.167 17879 301 1 1 . 1 1 54 54 ALA CB C 53 18.948 18.948 19.321 -0.373 17879 302 1 1 . 1 1 54 54 ALA H H 53 7.926 7.926 8.488 -0.562 17879 303 1 1 . 1 1 55 55 ASP N N 54 111.152 111.152 118.107 -6.955 17879 304 1 1 . 1 1 55 55 ASP HA H 54 4.621 4.621 4.635 -0.014 17879 305 1 1 . 1 1 55 55 ASP C C 54 175.823 175.823 176.398 -0.575 17879 306 1 1 . 1 1 55 55 ASP CA C 54 52.744 52.744 54.903 -2.159 17879 307 1 1 . 1 1 55 55 ASP CB C 54 39.861 39.861 42.018 -2.157 17879 308 1 1 . 1 1 55 55 ASP H H 54 8.106 8.106 8.099 0.007 17879 309 1 1 . 1 1 56 56 LEU N N 55 121.263 121.263 121.965 -0.702 17879 310 1 1 . 1 1 56 56 LEU HA H 55 4.351 4.351 4.326 0.025 17879 311 1 1 . 1 1 56 56 LEU C C 55 177.459 177.459 176.629 0.830 17879 312 1 1 . 1 1 56 56 LEU CA C 55 55.472 55.472 55.547 -0.075 17879 313 1 1 . 1 1 56 56 LEU CB C 55 43.593 43.593 43.249 0.344 17879 314 1 1 . 1 1 56 56 LEU H H 55 7.295 7.295 7.749 -0.454 17879 315 1 1 . 1 1 57 57 THR N N 56 114.222 114.222 116.531 -2.309 17879 316 1 1 . 1 1 57 57 THR HA H 56 5.233 5.233 4.613 0.620 17879 317 1 1 . 1 1 57 57 THR C C 56 176.538 176.538 175.617 0.921 17879 318 1 1 . 1 1 57 57 THR CA C 56 60.318 60.318 61.045 -0.727 17879 319 1 1 . 1 1 57 57 THR CB C 56 71.303 71.303 70.671 0.632 17879 320 1 1 . 1 1 57 57 THR H H 56 8.476 8.476 8.167 0.309 17879 321 1 1 . 1 1 58 58 VAL N N 57 122.331 122.331 120.448 1.883 17879 322 1 1 . 1 1 58 58 VAL HA H 57 3.738 3.738 3.980 -0.242 17879 323 1 1 . 1 1 58 58 VAL C C 57 178.743 178.743 177.867 0.876 17879 324 1 1 . 1 1 58 58 VAL CA C 57 66.797 66.797 65.901 0.896 17879 325 1 1 . 1 1 58 58 VAL CB C 57 31.801 31.801 31.930 -0.129 17879 326 1 1 . 1 1 58 58 VAL H H 57 8.806 8.806 8.006 0.800 17879 327 1 1 . 1 1 59 59 GLY N N 58 105.470 105.470 104.668 0.802 17879 328 1 1 . 1 1 59 59 GLY C C 58 176.924 176.924 175.720 1.204 17879 329 1 1 . 1 1 59 59 GLY CA C 58 47.317 47.317 46.602 0.715 17879 330 1 1 . 1 1 59 59 GLY H H 58 9.381 9.381 7.820 1.561 17879 331 1 1 . 1 1 60 60 GLN N N 59 121.492 121.492 118.778 2.714 17879 332 1 1 . 1 1 60 60 GLN HA H 59 4.166 4.166 4.407 -0.241 17879 333 1 1 . 1 1 60 60 GLN C C 59 178.605 178.605 177.680 0.925 17879 334 1 1 . 1 1 60 60 GLN CA C 59 58.764 58.764 57.339 1.425 17879 335 1 1 . 1 1 60 60 GLN CB C 59 29.129 29.129 29.312 -0.183 17879 336 1 1 . 1 1 60 60 GLN H H 59 8.027 8.027 7.674 0.353 17879 337 1 1 . 1 1 61 61 PHE N N 60 122.595 122.595 122.002 0.593 17879 338 1 1 . 1 1 61 61 PHE HA H 60 4.291 4.291 4.273 0.018 17879 339 1 1 . 1 1 61 61 PHE C C 60 176.690 176.690 177.269 -0.579 17879 340 1 1 . 1 1 61 61 PHE CA C 60 61.502 61.502 60.858 0.644 17879 341 1 1 . 1 1 61 61 PHE CB C 60 39.155 39.155 39.406 -0.251 17879 342 1 1 . 1 1 61 61 PHE H H 60 8.522 8.522 7.824 0.698 17879 343 1 1 . 1 1 62 62 VAL N N 61 118.720 118.720 118.997 -0.277 17879 344 1 1 . 1 1 62 62 VAL HA H 61 3.070 3.070 3.237 -0.167 17879 345 1 1 . 1 1 62 62 VAL C C 61 176.872 176.872 177.358 -0.486 17879 346 1 1 . 1 1 62 62 VAL CA C 61 67.040 67.040 66.745 0.295 17879 347 1 1 . 1 1 62 62 VAL CB C 61 31.119 31.119 31.280 -0.161 17879 348 1 1 . 1 1 62 62 VAL H H 61 8.705 8.705 8.010 0.695 17879 349 1 1 . 1 1 63 63 TYR N N 62 118.462 118.462 119.429 -0.967 17879 350 1 1 . 1 1 63 63 TYR HA H 62 3.987 3.987 4.001 -0.014 17879 351 1 1 . 1 1 63 63 TYR C C 62 177.325 177.325 176.964 0.361 17879 352 1 1 . 1 1 63 63 TYR CA C 62 61.685 61.685 60.568 1.117 17879 353 1 1 . 1 1 63 63 TYR CB C 62 37.906 37.906 37.710 0.196 17879 354 1 1 . 1 1 63 63 TYR H H 62 7.373 7.373 7.998 -0.625 17879 355 1 1 . 1 1 64 64 VAL N N 63 119.137 119.137 117.164 1.973 17879 356 1 1 . 1 1 64 64 VAL HA H 63 3.342 3.342 2.958 0.384 17879 357 1 1 . 1 1 64 64 VAL C C 63 178.326 178.326 177.708 0.618 17879 358 1 1 . 1 1 64 64 VAL CA C 63 66.615 66.615 65.445 1.170 17879 359 1 1 . 1 1 64 64 VAL CB C 63 31.157 31.157 31.195 -0.038 17879 360 1 1 . 1 1 64 64 VAL H H 63 7.376 7.376 7.939 -0.563 17879 361 1 1 . 1 1 65 65 ILE N N 64 118.858 118.858 119.692 -0.834 17879 362 1 1 . 1 1 65 65 ILE HA H 64 3.279 3.279 3.712 -0.433 17879 363 1 1 . 1 1 65 65 ILE C C 64 177.653 177.653 178.098 -0.445 17879 364 1 1 . 1 1 65 65 ILE CA C 64 63.682 63.682 60.888 2.794 17879 365 1 1 . 1 1 65 65 ILE CB C 64 36.150 36.150 35.891 0.259 17879 366 1 1 . 1 1 65 65 ILE H H 64 7.366 7.366 7.634 -0.268 17879 367 1 1 . 1 1 66 66 ARG N N 65 118.729 118.729 118.736 -0.007 17879 368 1 1 . 1 1 66 66 ARG HA H 65 3.397 3.397 3.983 -0.586 17879 369 1 1 . 1 1 66 66 ARG C C 65 178.284 178.284 177.760 0.524 17879 370 1 1 . 1 1 66 66 ARG CA C 65 60.078 60.078 58.163 1.915 17879 371 1 1 . 1 1 66 66 ARG CB C 65 30.022 30.022 29.827 0.195 17879 372 1 1 . 1 1 66 66 ARG H H 65 8.463 8.463 8.293 0.170 17879 373 1 1 . 1 1 67 67 LYS N N 66 116.643 116.643 118.283 -1.640 17879 374 1 1 . 1 1 67 67 LYS HA H 66 3.951 3.951 4.095 -0.144 17879 375 1 1 . 1 1 67 67 LYS C C 66 178.989 178.989 178.186 0.803 17879 376 1 1 . 1 1 67 67 LYS CA C 66 58.347 58.347 58.481 -0.134 17879 377 1 1 . 1 1 67 67 LYS CB C 66 31.938 31.938 32.285 -0.347 17879 378 1 1 . 1 1 67 67 LYS H H 66 7.536 7.536 7.159 0.377 17879 379 1 1 . 1 1 68 68 ARG N N 67 119.051 119.051 119.686 -0.635 17879 380 1 1 . 1 1 68 68 ARG HA H 67 4.104 4.104 4.065 0.039 17879 381 1 1 . 1 1 68 68 ARG C C 67 178.122 178.122 178.570 -0.448 17879 382 1 1 . 1 1 68 68 ARG CA C 67 58.182 58.182 58.617 -0.435 17879 383 1 1 . 1 1 68 68 ARG CB C 67 30.273 30.273 30.326 -0.053 17879 384 1 1 . 1 1 68 68 ARG H H 67 7.783 7.783 7.512 0.271 17879 385 1 1 . 1 1 69 69 ILE N N 68 112.456 112.456 113.222 -0.766 17879 386 1 1 . 1 1 69 69 ILE HA H 68 4.223 4.223 4.034 0.189 17879 387 1 1 . 1 1 69 69 ILE C C 68 174.568 174.568 175.508 -0.940 17879 388 1 1 . 1 1 69 69 ILE CA C 68 61.502 61.502 61.564 -0.062 17879 389 1 1 . 1 1 69 69 ILE CB C 68 38.643 38.643 37.889 0.754 17879 390 1 1 . 1 1 69 69 ILE H H 68 7.675 7.675 7.188 0.487 17879 391 1 1 . 1 1 70 70 MET N N 69 118.509 118.509 112.634 5.875 17879 392 1 1 . 1 1 70 70 MET HA H 69 3.982 3.982 4.147 -0.165 17879 393 1 1 . 1 1 70 70 MET C C 69 175.482 175.482 175.005 0.477 17879 394 1 1 . 1 1 70 70 MET CA C 69 55.811 55.811 55.721 0.090 17879 395 1 1 . 1 1 70 70 MET CB C 69 29.392 29.392 30.236 -0.844 17879 396 1 1 . 1 1 70 70 MET H H 69 7.805 7.805 7.590 0.215 17879 397 1 1 . 1 1 71 71 LEU N N 70 121.952 121.952 120.986 0.966 17879 398 1 1 . 1 1 71 71 LEU HA H 70 4.603 4.603 4.301 0.302 17879 399 1 1 . 1 1 71 71 LEU CA C 70 52.560 52.560 54.620 -2.060 17879 400 1 1 . 1 1 71 71 LEU CB C 70 44.045 44.045 41.724 2.321 17879 401 1 1 . 1 1 71 71 LEU H H 70 7.493 7.493 8.055 -0.562 17879 402 1 1 . 1 1 72 72 PRO HA H 71 4.678 4.678 4.818 -0.140 17879 403 1 1 . 1 1 72 72 PRO CA C 71 62.124 62.124 61.027 1.097 17879 404 1 1 . 1 1 72 72 PRO CB C 71 31.307 31.307 31.115 0.192 17879 405 1 1 . 1 1 73 73 PRO HA H 72 4.123 4.123 4.381 -0.258 17879 406 1 1 . 1 1 73 73 PRO C C 72 177.052 177.052 176.671 0.381 17879 407 1 1 . 1 1 73 73 PRO CA C 72 64.924 64.924 64.316 0.608 17879 408 1 1 . 1 1 73 73 PRO CB C 72 32.049 32.049 32.033 0.016 17879 409 1 1 . 1 1 74 74 GLU N N 73 115.091 115.091 115.909 -0.818 17879 410 1 1 . 1 1 74 74 GLU HA H 73 4.181 4.181 4.342 -0.161 17879 411 1 1 . 1 1 74 74 GLU C C 73 176.459 176.459 176.641 -0.182 17879 412 1 1 . 1 1 74 74 GLU CA C 73 57.774 57.774 56.217 1.557 17879 413 1 1 . 1 1 74 74 GLU CB C 73 28.321 28.321 29.270 -0.949 17879 414 1 1 . 1 1 74 74 GLU H H 73 9.065 9.065 8.507 0.558 17879 415 1 1 . 1 1 75 75 LYS N N 74 121.755 121.755 120.250 1.505 17879 416 1 1 . 1 1 75 75 LYS HA H 74 4.520 4.520 4.531 -0.011 17879 417 1 1 . 1 1 75 75 LYS C C 74 174.789 174.789 174.773 0.016 17879 418 1 1 . 1 1 75 75 LYS CA C 74 54.789 54.789 55.300 -0.511 17879 419 1 1 . 1 1 75 75 LYS CB C 74 32.882 32.882 34.916 -2.034 17879 420 1 1 . 1 1 75 75 LYS H H 74 7.797 7.797 7.530 0.267 17879 421 1 1 . 1 1 76 76 ALA N N 75 127.848 127.848 121.886 5.962 17879 422 1 1 . 1 1 76 76 ALA HA H 75 4.072 4.072 4.671 -0.599 17879 423 1 1 . 1 1 76 76 ALA C C 75 175.710 175.710 175.469 0.241 17879 424 1 1 . 1 1 76 76 ALA CA C 75 52.226 52.226 50.941 1.284 17879 425 1 1 . 1 1 76 76 ALA CB C 75 20.956 20.956 21.504 -0.548 17879 426 1 1 . 1 1 76 76 ALA H H 75 8.410 8.410 8.387 0.023 17879 427 1 1 . 1 1 77 77 ILE N N 76 114.298 114.298 120.941 -6.643 17879 428 1 1 . 1 1 77 77 ILE HA H 76 4.593 4.593 4.473 0.120 17879 429 1 1 . 1 1 77 77 ILE C C 76 172.379 172.379 173.391 -1.012 17879 430 1 1 . 1 1 77 77 ILE CA C 76 59.699 59.699 61.495 -1.796 17879 431 1 1 . 1 1 77 77 ILE CB C 76 41.218 41.218 40.604 0.614 17879 432 1 1 . 1 1 77 77 ILE H H 76 7.193 7.193 7.926 -0.733 17879 433 1 1 . 1 1 78 78 PHE N N 77 124.094 124.094 126.286 -2.192 17879 434 1 1 . 1 1 78 78 PHE HA H 77 4.556 4.556 4.938 -0.382 17879 435 1 1 . 1 1 78 78 PHE C C 77 174.359 174.359 174.956 -0.597 17879 436 1 1 . 1 1 78 78 PHE CA C 77 56.596 56.596 56.143 0.453 17879 437 1 1 . 1 1 78 78 PHE CB C 77 42.370 42.370 42.002 0.368 17879 438 1 1 . 1 1 78 78 PHE H H 77 8.931 8.931 9.267 -0.336 17879 439 1 1 . 1 1 79 79 ILE N N 78 117.724 117.724 120.427 -2.703 17879 440 1 1 . 1 1 79 79 ILE HA H 78 5.233 5.233 4.762 0.471 17879 441 1 1 . 1 1 79 79 ILE C C 78 173.334 173.334 175.348 -2.014 17879 442 1 1 . 1 1 79 79 ILE CA C 78 58.130 58.130 60.986 -2.856 17879 443 1 1 . 1 1 79 79 ILE CB C 78 39.360 39.360 39.053 0.307 17879 444 1 1 . 1 1 79 79 ILE H H 78 8.025 8.025 8.742 -0.717 17879 445 1 1 . 1 1 80 80 PHE N N 79 121.084 121.084 122.125 -1.041 17879 446 1 1 . 1 1 80 80 PHE HA H 79 5.365 5.365 5.028 0.337 17879 447 1 1 . 1 1 80 80 PHE C C 79 176.270 176.270 174.194 2.076 17879 448 1 1 . 1 1 80 80 PHE CA C 79 55.948 55.948 57.300 -1.351 17879 449 1 1 . 1 1 80 80 PHE CB C 79 42.763 42.763 43.081 -0.318 17879 450 1 1 . 1 1 80 80 PHE H H 79 9.210 9.210 8.947 0.263 17879 451 1 1 . 1 1 81 81 VAL N N 80 117.974 117.974 122.817 -4.843 17879 452 1 1 . 1 1 81 81 VAL HA H 80 4.520 4.520 4.486 0.034 17879 453 1 1 . 1 1 81 81 VAL C C 80 175.699 175.699 175.537 0.162 17879 454 1 1 . 1 1 81 81 VAL CA C 80 60.484 60.484 61.482 -0.998 17879 455 1 1 . 1 1 81 81 VAL CB C 80 34.263 34.263 32.697 1.566 17879 456 1 1 . 1 1 81 81 VAL H H 80 8.832 8.832 9.113 -0.281 17879 457 1 1 . 1 1 82 82 ASN N N 81 127.615 127.615 125.386 2.229 17879 458 1 1 . 1 1 82 82 ASN HA H 81 4.339 4.339 4.421 -0.082 17879 459 1 1 . 1 1 82 82 ASN C C 81 174.036 174.036 174.531 -0.495 17879 460 1 1 . 1 1 82 82 ASN CA C 81 55.231 55.231 54.088 1.143 17879 461 1 1 . 1 1 82 82 ASN CB C 81 37.408 37.408 37.850 -0.442 17879 462 1 1 . 1 1 82 82 ASN H H 81 9.689 9.689 9.248 0.441 17879 463 1 1 . 1 1 83 83 ASP N N 82 112.699 112.699 114.714 -2.015 17879 464 1 1 . 1 1 83 83 ASP HA H 82 4.135 4.135 4.333 -0.198 17879 465 1 1 . 1 1 83 83 ASP C C 82 174.560 174.560 174.724 -0.164 17879 466 1 1 . 1 1 83 83 ASP CA C 82 55.638 55.638 55.706 -0.068 17879 467 1 1 . 1 1 83 83 ASP CB C 82 39.564 39.564 40.329 -0.765 17879 468 1 1 . 1 1 83 83 ASP H H 82 8.772 8.772 8.484 0.288 17879 469 1 1 . 1 1 84 84 THR N N 83 112.567 112.567 113.731 -1.164 17879 470 1 1 . 1 1 84 84 THR HA H 83 4.715 4.715 4.698 0.017 17879 471 1 1 . 1 1 84 84 THR C C 83 172.200 172.200 172.995 -0.795 17879 472 1 1 . 1 1 84 84 THR CA C 83 60.868 60.868 61.379 -0.511 17879 473 1 1 . 1 1 84 84 THR CB C 83 72.206 72.206 71.033 1.173 17879 474 1 1 . 1 1 84 84 THR H H 83 8.080 8.080 7.306 0.774 17879 475 1 1 . 1 1 85 85 LEU N N 84 125.810 125.810 129.131 -3.321 17879 476 1 1 . 1 1 85 85 LEU HA H 84 5.127 5.127 4.729 0.398 17879 477 1 1 . 1 1 85 85 LEU CA C 84 51.927 51.927 51.806 0.121 17879 478 1 1 . 1 1 85 85 LEU CB C 84 42.779 42.779 43.190 -0.411 17879 479 1 1 . 1 1 85 85 LEU H H 84 8.520 8.520 8.655 -0.135 17879 480 1 1 . 1 1 86 86 PRO HA H 85 4.835 4.835 4.762 0.073 17879 481 1 1 . 1 1 86 86 PRO CA C 85 60.910 60.910 61.298 -0.388 17879 482 1 1 . 1 1 86 86 PRO CB C 85 30.852 30.852 31.125 -0.273 17879 483 1 1 . 1 1 87 87 PRO HA H 86 4.577 4.577 4.569 0.008 17879 484 1 1 . 1 1 87 87 PRO C C 86 177.830 177.830 176.550 1.280 17879 485 1 1 . 1 1 87 87 PRO CA C 86 62.424 62.424 62.660 -0.236 17879 486 1 1 . 1 1 87 87 PRO CB C 86 31.910 31.910 32.153 -0.243 17879 487 1 1 . 1 1 88 88 THR N N 87 114.642 114.642 108.191 6.451 17879 488 1 1 . 1 1 88 88 THR HA H 87 3.802 3.802 4.379 -0.577 17879 489 1 1 . 1 1 88 88 THR C C 87 175.702 175.702 175.448 0.254 17879 490 1 1 . 1 1 88 88 THR CA C 87 65.079 65.079 64.249 0.830 17879 491 1 1 . 1 1 88 88 THR CB C 87 68.818 68.818 69.068 -0.250 17879 492 1 1 . 1 1 88 88 THR H H 87 8.291 8.291 7.959 0.332 17879 493 1 1 . 1 1 89 89 ALA N N 88 119.706 119.706 123.114 -3.408 17879 494 1 1 . 1 1 89 89 ALA HA H 88 4.420 4.420 4.299 0.121 17879 495 1 1 . 1 1 89 89 ALA C C 88 177.690 177.690 178.228 -0.538 17879 496 1 1 . 1 1 89 89 ALA CA C 88 52.118 52.118 52.432 -0.314 17879 497 1 1 . 1 1 89 89 ALA CB C 88 19.334 19.334 17.542 1.792 17879 498 1 1 . 1 1 89 89 ALA H H 88 8.031 8.031 8.127 -0.096 17879 499 1 1 . 1 1 90 90 ALA N N 89 120.388 120.388 122.294 -1.906 17879 500 1 1 . 1 1 90 90 ALA HA H 89 4.179 4.179 4.266 -0.087 17879 501 1 1 . 1 1 90 90 ALA C C 89 176.520 176.520 176.594 -0.074 17879 502 1 1 . 1 1 90 90 ALA CA C 89 52.454 52.454 51.070 1.384 17879 503 1 1 . 1 1 90 90 ALA CB C 89 19.301 19.301 17.051 2.250 17879 504 1 1 . 1 1 90 90 ALA H H 89 7.465 7.465 8.096 -0.631 17879 505 1 1 . 1 1 91 91 LEU N N 90 119.307 119.307 121.760 -2.453 17879 506 1 1 . 1 1 91 91 LEU HA H 90 4.490 4.490 3.978 0.512 17879 507 1 1 . 1 1 91 91 LEU C C 90 179.555 179.555 178.160 1.395 17879 508 1 1 . 1 1 91 91 LEU CA C 90 54.578 54.578 56.229 -1.651 17879 509 1 1 . 1 1 91 91 LEU CB C 90 42.689 42.689 41.951 0.738 17879 510 1 1 . 1 1 91 91 LEU H H 90 8.458 8.458 8.421 0.037 17879 511 1 1 . 1 1 92 92 MET N N 91 121.586 121.586 124.430 -2.844 17879 512 1 1 . 1 1 92 92 MET HA H 91 4.231 4.231 4.006 0.225 17879 513 1 1 . 1 1 92 92 MET C C 91 178.860 178.860 178.596 0.264 17879 514 1 1 . 1 1 92 92 MET CA C 91 56.938 56.938 57.907 -0.969 17879 515 1 1 . 1 1 92 92 MET CB C 91 29.372 29.372 31.134 -1.762 17879 516 1 1 . 1 1 92 92 MET H H 91 9.203 9.203 8.550 0.653 17879 517 1 1 . 1 1 93 93 SER N N 92 112.826 112.826 115.160 -2.334 17879 518 1 1 . 1 1 93 93 SER HA H 92 3.978 3.978 4.131 -0.153 17879 519 1 1 . 1 1 93 93 SER C C 92 176.318 176.318 175.941 0.377 17879 520 1 1 . 1 1 93 93 SER CA C 92 60.871 60.871 61.017 -0.146 17879 521 1 1 . 1 1 93 93 SER CB C 92 61.575 61.575 62.894 -1.319 17879 522 1 1 . 1 1 93 93 SER H H 92 8.717 8.717 8.494 0.223 17879 523 1 1 . 1 1 94 94 ALA N N 93 126.735 126.735 122.982 3.753 17879 524 1 1 . 1 1 94 94 ALA HA H 93 4.357 4.357 4.250 0.107 17879 525 1 1 . 1 1 94 94 ALA C C 93 180.789 180.789 178.631 2.158 17879 526 1 1 . 1 1 94 94 ALA CA C 93 54.841 54.841 54.046 0.795 17879 527 1 1 . 1 1 94 94 ALA CB C 93 18.603 18.603 18.771 -0.168 17879 528 1 1 . 1 1 94 94 ALA H H 93 7.058 7.058 7.829 -0.771 17879 529 1 1 . 1 1 95 95 ILE N N 94 118.720 118.720 118.617 0.103 17879 530 1 1 . 1 1 95 95 ILE HA H 94 4.063 4.063 3.897 0.166 17879 531 1 1 . 1 1 95 95 ILE C C 94 178.326 178.326 177.239 1.087 17879 532 1 1 . 1 1 95 95 ILE CA C 94 62.755 62.755 62.976 -0.221 17879 533 1 1 . 1 1 95 95 ILE CB C 94 36.410 36.410 38.186 -1.776 17879 534 1 1 . 1 1 95 95 ILE H H 94 7.872 7.872 7.610 0.262 17879 535 1 1 . 1 1 96 96 TYR N N 95 120.697 120.697 119.253 1.444 17879 536 1 1 . 1 1 96 96 TYR HA H 95 4.007 4.007 4.250 -0.243 17879 537 1 1 . 1 1 96 96 TYR C C 95 176.022 176.022 176.439 -0.417 17879 538 1 1 . 1 1 96 96 TYR CA C 95 62.187 62.187 59.967 2.220 17879 539 1 1 . 1 1 96 96 TYR CB C 95 39.093 39.093 38.587 0.506 17879 540 1 1 . 1 1 96 96 TYR H H 95 8.841 8.841 8.307 0.534 17879 541 1 1 . 1 1 97 97 GLN N N 96 114.982 114.982 117.680 -2.698 17879 542 1 1 . 1 1 97 97 GLN HA H 96 3.778 3.778 4.348 -0.570 17879 543 1 1 . 1 1 97 97 GLN C C 96 177.250 177.250 176.286 0.964 17879 544 1 1 . 1 1 97 97 GLN CA C 96 58.719 58.719 56.739 1.980 17879 545 1 1 . 1 1 97 97 GLN CB C 96 28.286 28.286 29.215 -0.929 17879 546 1 1 . 1 1 97 97 GLN H H 96 7.757 7.757 8.034 -0.277 17879 547 1 1 . 1 1 98 98 GLU N N 97 114.340 114.340 117.485 -3.145 17879 548 1 1 . 1 1 98 98 GLU HA H 97 4.099 4.099 4.375 -0.276 17879 549 1 1 . 1 1 98 98 GLU C C 97 178.140 178.140 177.160 0.980 17879 550 1 1 . 1 1 98 98 GLU CA C 97 57.886 57.886 56.862 1.024 17879 551 1 1 . 1 1 98 98 GLU CB C 97 31.589 31.589 30.688 0.901 17879 552 1 1 . 1 1 98 98 GLU H H 97 7.117 7.117 7.839 -0.722 17879 553 1 1 . 1 1 99 99 HIS N N 98 113.377 113.377 117.809 -4.432 17879 554 1 1 . 1 1 99 99 HIS HA H 98 4.829 4.829 4.760 0.069 17879 555 1 1 . 1 1 99 99 HIS C C 98 175.856 175.856 174.194 1.662 17879 556 1 1 . 1 1 99 99 HIS CA C 98 56.738 56.738 54.415 2.323 17879 557 1 1 . 1 1 99 99 HIS CB C 98 32.930 32.930 30.759 2.171 17879 558 1 1 . 1 1 99 99 HIS H H 98 8.247 8.247 7.998 0.249 17879 559 1 1 . 1 1 100 100 LYS N N 99 120.905 120.905 118.604 2.301 17879 560 1 1 . 1 1 100 100 LYS HA H 99 3.994 3.994 4.040 -0.046 17879 561 1 1 . 1 1 100 100 LYS C C 99 174.832 174.832 175.392 -0.560 17879 562 1 1 . 1 1 100 100 LYS CA C 99 57.693 57.693 55.979 1.714 17879 563 1 1 . 1 1 100 100 LYS CB C 99 31.703 31.703 32.632 -0.929 17879 564 1 1 . 1 1 100 100 LYS H H 99 8.065 8.065 7.598 0.467 17879 565 1 1 . 1 1 101 101 ASP N N 100 124.188 124.188 120.392 3.796 17879 566 1 1 . 1 1 101 101 ASP HA H 100 4.765 4.765 4.827 -0.062 17879 567 1 1 . 1 1 101 101 ASP C C 100 177.692 177.692 176.964 0.728 17879 568 1 1 . 1 1 101 101 ASP CA C 100 54.030 54.030 52.639 1.391 17879 569 1 1 . 1 1 101 101 ASP CB C 100 43.429 43.429 43.904 -0.475 17879 570 1 1 . 1 1 101 101 ASP H H 100 9.027 9.027 8.207 0.820 17879 571 1 1 . 1 1 102 102 LYS N N 101 125.898 125.898 120.302 5.596 17879 572 1 1 . 1 1 102 102 LYS HA H 101 4.239 4.239 4.125 0.114 17879 573 1 1 . 1 1 102 102 LYS C C 101 178.053 178.053 177.278 0.775 17879 574 1 1 . 1 1 102 102 LYS CA C 101 59.482 59.482 59.584 -0.102 17879 575 1 1 . 1 1 102 102 LYS CB C 101 32.821 32.821 32.559 0.262 17879 576 1 1 . 1 1 102 102 LYS H H 101 8.678 8.678 8.928 -0.250 17879 577 1 1 . 1 1 103 103 ASP N N 102 119.326 119.326 114.875 4.451 17879 578 1 1 . 1 1 103 103 ASP HA H 102 4.127 4.127 4.236 -0.109 17879 579 1 1 . 1 1 103 103 ASP C C 102 176.833 176.833 177.240 -0.407 17879 580 1 1 . 1 1 103 103 ASP CA C 102 54.666 54.666 55.187 -0.521 17879 581 1 1 . 1 1 103 103 ASP CB C 102 39.848 39.848 40.573 -0.725 17879 582 1 1 . 1 1 103 103 ASP H H 102 10.276 10.276 8.610 1.666 17879 583 1 1 . 1 1 104 104 GLY N N 103 106.059 106.059 106.274 -0.215 17879 584 1 1 . 1 1 104 104 GLY C C 103 174.655 174.655 174.267 0.388 17879 585 1 1 . 1 1 104 104 GLY CA C 103 45.319 45.319 45.263 0.056 17879 586 1 1 . 1 1 104 104 GLY H H 103 8.173 8.173 8.312 -0.139 17879 587 1 1 . 1 1 105 105 PHE N N 104 121.781 121.781 121.239 0.542 17879 588 1 1 . 1 1 105 105 PHE HA H 104 4.682 4.682 4.550 0.132 17879 589 1 1 . 1 1 105 105 PHE C C 104 174.830 174.830 176.045 -1.215 17879 590 1 1 . 1 1 105 105 PHE CA C 104 59.377 59.377 59.227 0.150 17879 591 1 1 . 1 1 105 105 PHE CB C 104 39.938 39.938 39.659 0.279 17879 592 1 1 . 1 1 105 105 PHE H H 104 9.600 9.600 8.102 1.498 17879 593 1 1 . 1 1 106 106 LEU N N 105 119.929 119.929 121.102 -1.173 17879 594 1 1 . 1 1 106 106 LEU HA H 105 4.897 4.897 4.352 0.545 17879 595 1 1 . 1 1 106 106 LEU C C 105 173.947 173.947 176.336 -2.389 17879 596 1 1 . 1 1 106 106 LEU CA C 105 53.463 53.463 54.380 -0.916 17879 597 1 1 . 1 1 106 106 LEU CB C 105 45.066 45.066 43.250 1.816 17879 598 1 1 . 1 1 106 106 LEU H H 105 8.376 8.376 8.508 -0.132 17879 599 1 1 . 1 1 107 107 TYR N N 106 127.637 127.637 120.119 7.518 17879 600 1 1 . 1 1 107 107 TYR HA H 106 4.992 4.992 4.828 0.164 17879 601 1 1 . 1 1 107 107 TYR C C 106 176.099 176.099 174.685 1.414 17879 602 1 1 . 1 1 107 107 TYR CA C 106 58.893 58.893 57.386 1.507 17879 603 1 1 . 1 1 107 107 TYR CB C 106 38.140 38.140 39.356 -1.216 17879 604 1 1 . 1 1 107 107 TYR H H 106 9.124 9.124 8.674 0.450 17879 605 1 1 . 1 1 108 108 VAL N N 107 121.630 121.630 121.797 -0.167 17879 606 1 1 . 1 1 108 108 VAL HA H 107 5.135 5.135 4.364 0.771 17879 607 1 1 . 1 1 108 108 VAL C C 107 175.722 175.722 174.467 1.255 17879 608 1 1 . 1 1 108 108 VAL CA C 107 59.587 59.587 60.487 -0.900 17879 609 1 1 . 1 1 108 108 VAL CB C 107 34.787 34.787 34.055 0.732 17879 610 1 1 . 1 1 108 108 VAL H H 107 9.560 9.560 8.177 1.383 17879 611 1 1 . 1 1 109 109 THR N N 108 119.845 119.845 116.875 2.970 17879 612 1 1 . 1 1 109 109 THR HA H 108 6.155 6.155 5.320 0.835 17879 613 1 1 . 1 1 109 109 THR C C 108 174.158 174.158 173.169 0.989 17879 614 1 1 . 1 1 109 109 THR CA C 108 59.869 59.869 61.547 -1.678 17879 615 1 1 . 1 1 109 109 THR CB C 108 72.268 72.268 70.953 1.315 17879 616 1 1 . 1 1 109 109 THR H H 108 9.061 9.061 7.935 1.126 17879 617 1 1 . 1 1 110 110 TYR N N 109 119.706 119.706 123.352 -3.646 17879 618 1 1 . 1 1 110 110 TYR HA H 109 6.332 6.332 5.885 0.447 17879 619 1 1 . 1 1 110 110 TYR C C 109 173.366 173.366 173.637 -0.271 17879 620 1 1 . 1 1 110 110 TYR CA C 109 54.655 54.655 54.776 -0.121 17879 621 1 1 . 1 1 110 110 TYR CB C 109 42.250 42.250 41.428 0.821 17879 622 1 1 . 1 1 110 110 TYR H H 109 8.461 8.461 9.355 -0.894 17879 623 1 1 . 1 1 111 111 SER N N 110 112.907 112.907 116.740 -3.833 17879 624 1 1 . 1 1 111 111 SER HA H 110 4.745 4.745 4.949 -0.204 17879 625 1 1 . 1 1 111 111 SER C C 110 173.692 173.692 175.379 -1.687 17879 626 1 1 . 1 1 111 111 SER CA C 110 56.044 56.044 56.124 -0.080 17879 627 1 1 . 1 1 111 111 SER CB C 110 66.177 66.177 65.785 0.392 17879 628 1 1 . 1 1 111 111 SER H H 110 9.089 9.089 9.216 -0.127 17879 629 1 1 . 1 1 112 112 GLY N N 111 111.054 111.054 111.958 -0.904 17879 630 1 1 . 1 1 112 112 GLY C C 111 173.331 173.331 173.805 -0.474 17879 631 1 1 . 1 1 112 112 GLY CA C 111 45.341 45.341 45.853 -0.512 17879 632 1 1 . 1 1 112 112 GLY H H 111 8.443 8.443 8.612 -0.169 17879 633 1 1 . 1 1 113 113 GLU N N 112 118.801 118.801 120.142 -1.341 17879 634 1 1 . 1 1 113 113 GLU HA H 112 4.660 4.660 4.457 0.203 17879 635 1 1 . 1 1 113 113 GLU C C 112 174.538 174.538 175.461 -0.923 17879 636 1 1 . 1 1 113 113 GLU CA C 112 55.642 55.642 55.393 0.249 17879 637 1 1 . 1 1 113 113 GLU CB C 112 32.930 32.930 30.721 2.209 17879 638 1 1 . 1 1 113 113 GLU H H 112 8.413 8.413 7.479 0.934 17879 639 1 1 . 1 1 114 114 ASN N N 113 118.152 118.152 123.259 -5.107 17879 640 1 1 . 1 1 114 114 ASN HA H 113 4.187 4.187 4.832 -0.645 17879 641 1 1 . 1 1 114 114 ASN C C 113 175.011 175.011 174.440 0.571 17879 642 1 1 . 1 1 114 114 ASN CA C 113 51.910 51.910 52.293 -0.383 17879 643 1 1 . 1 1 114 114 ASN CB C 113 36.865 36.865 37.164 -0.299 17879 644 1 1 . 1 1 114 114 ASN H H 113 8.207 8.207 8.425 -0.218 17879 645 1 1 . 1 1 115 115 THR N N 114 112.887 112.887 115.714 -2.827 17879 646 1 1 . 1 1 115 115 THR HA H 114 4.190 4.190 4.580 -0.390 17879 647 1 1 . 1 1 115 115 THR C C 114 173.575 173.575 173.458 0.117 17879 648 1 1 . 1 1 115 115 THR CA C 114 61.149 61.149 61.157 -0.008 17879 649 1 1 . 1 1 115 115 THR CB C 114 69.859 69.859 70.435 -0.576 17879 650 1 1 . 1 1 115 115 THR H H 114 7.411 7.411 7.325 0.086 17879 651 1 1 . 1 1 116 116 PHE N N 115 121.474 121.474 118.992 2.482 17879 652 1 1 . 1 1 116 116 PHE HA H 115 4.451 4.451 4.583 -0.132 17879 653 1 1 . 1 1 116 116 PHE C C 115 175.078 175.078 175.123 -0.045 17879 654 1 1 . 1 1 116 116 PHE CA C 115 57.681 57.681 55.514 2.167 17879 655 1 1 . 1 1 116 116 PHE CB C 115 39.569 39.569 39.385 0.184 17879 656 1 1 . 1 1 116 116 PHE H H 115 8.021 8.021 7.727 0.294 17879 657 1 2 . 1 1 2 2 MET N N 1 122.410 122.410 120.458 1.952 17879 658 1 2 . 1 1 2 2 MET HA H 1 4.455 4.455 4.688 -0.233 17879 659 1 2 . 1 1 2 2 MET C C 1 175.655 175.655 175.777 -0.122 17879 660 1 2 . 1 1 2 2 MET CA C 1 55.438 55.438 54.619 0.819 17879 661 1 2 . 1 1 2 2 MET CB C 1 33.126 33.126 34.445 -1.319 17879 662 1 2 . 1 1 2 2 MET H H 1 8.425 8.425 8.121 0.304 17879 663 1 2 . 1 1 3 3 LYS N N 2 123.656 123.656 118.613 5.043 17879 664 1 2 . 1 1 3 3 LYS HA H 2 4.326 4.326 4.495 -0.169 17879 665 1 2 . 1 1 3 3 LYS C C 2 176.266 176.266 175.363 0.903 17879 666 1 2 . 1 1 3 3 LYS CA C 2 56.348 56.348 56.715 -0.367 17879 667 1 2 . 1 1 3 3 LYS CB C 2 33.219 33.219 34.607 -1.388 17879 668 1 2 . 1 1 3 3 LYS H H 2 8.512 8.512 8.412 0.100 17879 669 1 2 . 1 1 4 4 SER N N 3 118.350 118.350 115.254 3.096 17879 670 1 2 . 1 1 4 4 SER HA H 3 4.631 4.631 4.828 -0.197 17879 671 1 2 . 1 1 4 4 SER C C 3 175.421 175.421 173.466 1.955 17879 672 1 2 . 1 1 4 4 SER CA C 3 57.629 57.629 56.836 0.793 17879 673 1 2 . 1 1 4 4 SER CB C 3 64.079 64.079 65.717 -1.638 17879 674 1 2 . 1 1 4 4 SER H H 3 8.426 8.426 7.933 0.493 17879 675 1 2 . 1 1 5 5 THR N N 4 127.775 127.775 115.016 12.759 17879 676 1 2 . 1 1 5 5 THR HA H 4 4.482 4.482 4.416 0.066 17879 677 1 2 . 1 1 5 5 THR C C 4 174.680 174.680 174.993 -0.313 17879 678 1 2 . 1 1 5 5 THR CA C 4 62.001 62.001 62.961 -0.959 17879 679 1 2 . 1 1 5 5 THR CB C 4 70.137 70.137 69.770 0.367 17879 680 1 2 . 1 1 5 5 THR H H 4 9.971 9.971 8.450 1.521 17879 681 1 2 . 1 1 6 6 PHE N N 5 123.021 123.021 122.154 0.867 17879 682 1 2 . 1 1 6 6 PHE HA H 5 4.125 4.125 4.263 -0.138 17879 683 1 2 . 1 1 6 6 PHE C C 5 177.064 177.064 175.748 1.316 17879 684 1 2 . 1 1 6 6 PHE CA C 5 63.041 63.041 60.605 2.436 17879 685 1 2 . 1 1 6 6 PHE CB C 5 40.828 40.828 39.088 1.740 17879 686 1 2 . 1 1 6 6 PHE H H 5 8.863 8.863 8.420 0.443 17879 687 1 2 . 1 1 7 7 LYS N N 6 114.006 114.006 116.254 -2.248 17879 688 1 2 . 1 1 7 7 LYS HA H 6 3.916 3.916 3.492 0.424 17879 689 1 2 . 1 1 7 7 LYS C C 6 177.535 177.535 176.298 1.237 17879 690 1 2 . 1 1 7 7 LYS CA C 6 60.026 60.026 56.654 3.372 17879 691 1 2 . 1 1 7 7 LYS CB C 6 33.611 33.611 32.508 1.103 17879 692 1 2 . 1 1 7 7 LYS H H 6 8.661 8.661 8.067 0.594 17879 693 1 2 . 1 1 8 8 SER N N 7 111.149 111.149 112.718 -1.569 17879 694 1 2 . 1 1 8 8 SER HA H 7 4.275 4.275 4.279 -0.004 17879 695 1 2 . 1 1 8 8 SER C C 7 175.689 175.689 175.277 0.412 17879 696 1 2 . 1 1 8 8 SER CA C 7 60.007 60.007 59.433 0.574 17879 697 1 2 . 1 1 8 8 SER CB C 7 63.759 63.759 62.839 0.920 17879 698 1 2 . 1 1 8 8 SER H H 7 7.552 7.552 7.829 -0.277 17879 699 1 2 . 1 1 9 9 GLU N N 8 122.296 122.296 121.535 0.761 17879 700 1 2 . 1 1 9 9 GLU HA H 8 3.818 3.818 4.210 -0.392 17879 701 1 2 . 1 1 9 9 GLU C C 8 176.068 176.068 175.924 0.144 17879 702 1 2 . 1 1 9 9 GLU CA C 8 58.137 58.137 57.116 1.021 17879 703 1 2 . 1 1 9 9 GLU CB C 8 30.965 30.965 30.257 0.708 17879 704 1 2 . 1 1 9 9 GLU H H 8 7.924 7.924 7.642 0.282 17879 705 1 2 . 1 1 10 10 TYR N N 9 115.131 115.131 117.400 -2.269 17879 706 1 2 . 1 1 10 10 TYR HA H 9 5.066 5.066 4.999 0.067 17879 707 1 2 . 1 1 10 10 TYR CA C 9 53.958 53.958 53.707 0.251 17879 708 1 2 . 1 1 10 10 TYR CB C 9 41.055 41.055 37.353 3.702 17879 709 1 2 . 1 1 10 10 TYR H H 9 7.052 7.052 7.159 -0.107 17879 710 1 2 . 1 1 11 11 PRO HA H 10 4.708 4.708 4.555 0.153 17879 711 1 2 . 1 1 11 11 PRO C C 10 177.384 177.384 177.599 -0.215 17879 712 1 2 . 1 1 11 11 PRO CA C 10 62.279 62.279 61.725 0.554 17879 713 1 2 . 1 1 11 11 PRO CB C 10 33.087 33.087 32.669 0.418 17879 714 1 2 . 1 1 12 12 PHE N N 11 125.307 125.307 121.857 3.450 17879 715 1 2 . 1 1 12 12 PHE HA H 11 3.883 3.883 4.225 -0.342 17879 716 1 2 . 1 1 12 12 PHE C C 11 176.157 176.157 176.705 -0.548 17879 717 1 2 . 1 1 12 12 PHE CA C 11 63.156 63.156 61.797 1.359 17879 718 1 2 . 1 1 12 12 PHE CB C 11 39.935 39.935 39.174 0.761 17879 719 1 2 . 1 1 12 12 PHE H H 11 9.385 9.385 8.793 0.592 17879 720 1 2 . 1 1 13 13 GLU N N 12 115.356 115.356 117.719 -2.363 17879 721 1 2 . 1 1 13 13 GLU HA H 12 3.857 3.857 4.105 -0.248 17879 722 1 2 . 1 1 13 13 GLU C C 12 179.598 179.598 178.766 0.832 17879 723 1 2 . 1 1 13 13 GLU CA C 12 60.317 60.317 59.280 1.037 17879 724 1 2 . 1 1 13 13 GLU CB C 12 28.642 28.642 28.823 -0.181 17879 725 1 2 . 1 1 13 13 GLU H H 12 9.800 9.800 9.044 0.756 17879 726 1 2 . 1 1 14 14 LYS N N 13 118.194 118.194 118.010 0.184 17879 727 1 2 . 1 1 14 14 LYS HA H 13 4.246 4.246 4.280 -0.034 17879 728 1 2 . 1 1 14 14 LYS C C 13 178.804 178.804 177.125 1.679 17879 729 1 2 . 1 1 14 14 LYS CA C 13 58.143 58.143 56.865 1.278 17879 730 1 2 . 1 1 14 14 LYS CB C 13 32.770 32.770 32.691 0.079 17879 731 1 2 . 1 1 14 14 LYS H H 13 7.160 7.160 8.035 -0.875 17879 732 1 2 . 1 1 15 15 ARG N N 14 120.949 120.949 120.203 0.746 17879 733 1 2 . 1 1 15 15 ARG HA H 14 3.892 3.892 4.432 -0.540 17879 734 1 2 . 1 1 15 15 ARG C C 14 176.858 176.858 177.586 -0.728 17879 735 1 2 . 1 1 15 15 ARG CA C 14 61.520 61.520 58.505 3.014 17879 736 1 2 . 1 1 15 15 ARG CB C 14 32.840 32.840 31.340 1.500 17879 737 1 2 . 1 1 15 15 ARG H H 14 7.686 7.686 8.079 -0.393 17879 738 1 2 . 1 1 16 16 LYS N N 15 119.224 119.224 119.538 -0.314 17879 739 1 2 . 1 1 16 16 LYS HA H 15 4.449 4.449 4.404 0.045 17879 740 1 2 . 1 1 16 16 LYS C C 15 177.796 177.796 177.828 -0.032 17879 741 1 2 . 1 1 16 16 LYS CA C 15 57.366 57.366 58.897 -1.531 17879 742 1 2 . 1 1 16 16 LYS CB C 15 32.529 32.529 31.942 0.587 17879 743 1 2 . 1 1 16 16 LYS H H 15 8.667 8.667 8.153 0.514 17879 744 1 2 . 1 1 17 17 ALA N N 16 117.777 117.777 121.116 -3.339 17879 745 1 2 . 1 1 17 17 ALA HA H 16 4.164 4.164 4.262 -0.098 17879 746 1 2 . 1 1 17 17 ALA C C 16 180.641 180.641 178.692 1.949 17879 747 1 2 . 1 1 17 17 ALA CA C 16 54.627 54.627 54.091 0.536 17879 748 1 2 . 1 1 17 17 ALA CB C 16 18.114 18.114 18.350 -0.236 17879 749 1 2 . 1 1 17 17 ALA H H 16 7.305 7.305 7.506 -0.201 17879 750 1 2 . 1 1 18 18 GLU N N 17 119.934 119.934 119.257 0.677 17879 751 1 2 . 1 1 18 18 GLU HA H 17 4.695 4.695 4.100 0.595 17879 752 1 2 . 1 1 18 18 GLU C C 17 178.339 178.339 178.611 -0.272 17879 753 1 2 . 1 1 18 18 GLU CA C 17 58.173 58.173 59.101 -0.928 17879 754 1 2 . 1 1 18 18 GLU CB C 17 28.765 28.765 29.775 -1.010 17879 755 1 2 . 1 1 18 18 GLU H H 17 7.849 7.849 8.281 -0.432 17879 756 1 2 . 1 1 19 19 SER N N 18 117.685 117.685 115.329 2.356 17879 757 1 2 . 1 1 19 19 SER HA H 18 3.542 3.542 4.254 -0.712 17879 758 1 2 . 1 1 19 19 SER C C 18 178.206 178.206 176.778 1.428 17879 759 1 2 . 1 1 19 19 SER CA C 18 62.108 62.108 60.912 1.196 17879 760 1 2 . 1 1 19 19 SER CB C 18 59.839 59.839 62.765 -2.926 17879 761 1 2 . 1 1 19 19 SER H H 18 8.785 8.785 8.389 0.396 17879 762 1 2 . 1 1 20 20 GLU N N 19 124.346 124.346 121.084 3.262 17879 763 1 2 . 1 1 20 20 GLU HA H 19 3.988 3.988 4.204 -0.216 17879 764 1 2 . 1 1 20 20 GLU C C 19 178.788 178.788 177.382 1.406 17879 765 1 2 . 1 1 20 20 GLU CA C 19 59.701 59.701 58.674 1.027 17879 766 1 2 . 1 1 20 20 GLU CB C 19 29.318 29.318 29.590 -0.272 17879 767 1 2 . 1 1 20 20 GLU H H 19 8.052 8.052 8.167 -0.115 17879 768 1 2 . 1 1 21 21 ARG N N 20 122.089 122.089 117.199 4.890 17879 769 1 2 . 1 1 21 21 ARG HA H 20 4.093 4.093 4.386 -0.293 17879 770 1 2 . 1 1 21 21 ARG C C 20 179.458 179.458 178.682 0.776 17879 771 1 2 . 1 1 21 21 ARG CA C 20 59.500 59.500 57.720 1.780 17879 772 1 2 . 1 1 21 21 ARG CB C 20 30.412 30.412 30.814 -0.403 17879 773 1 2 . 1 1 21 21 ARG H H 20 7.958 7.958 7.648 0.310 17879 774 1 2 . 1 1 22 22 ILE N N 21 119.893 119.893 121.675 -1.782 17879 775 1 2 . 1 1 22 22 ILE HA H 21 3.623 3.623 3.689 -0.066 17879 776 1 2 . 1 1 22 22 ILE C C 21 176.842 176.842 176.783 0.059 17879 777 1 2 . 1 1 22 22 ILE CA C 21 65.145 65.145 64.139 1.006 17879 778 1 2 . 1 1 22 22 ILE CB C 21 38.195 38.195 37.711 0.484 17879 779 1 2 . 1 1 22 22 ILE H H 21 8.277 8.277 8.145 0.132 17879 780 1 2 . 1 1 23 23 ALA N N 22 121.816 121.816 121.119 0.697 17879 781 1 2 . 1 1 23 23 ALA HA H 22 4.071 4.071 4.095 -0.024 17879 782 1 2 . 1 1 23 23 ALA C C 22 179.199 179.199 177.644 1.555 17879 783 1 2 . 1 1 23 23 ALA CA C 22 54.519 54.519 54.121 0.398 17879 784 1 2 . 1 1 23 23 ALA CB C 22 18.001 18.001 18.575 -0.574 17879 785 1 2 . 1 1 23 23 ALA H H 22 7.962 7.962 7.723 0.239 17879 786 1 2 . 1 1 24 24 ASP N N 23 114.866 114.866 116.116 -1.250 17879 787 1 2 . 1 1 24 24 ASP HA H 23 4.401 4.401 4.538 -0.137 17879 788 1 2 . 1 1 24 24 ASP C C 23 177.324 177.324 177.225 0.099 17879 789 1 2 . 1 1 24 24 ASP CA C 23 56.248 56.248 54.782 1.466 17879 790 1 2 . 1 1 24 24 ASP CB C 23 42.193 42.193 42.064 0.129 17879 791 1 2 . 1 1 24 24 ASP H H 23 7.368 7.368 7.719 -0.351 17879 792 1 2 . 1 1 25 25 ARG N N 24 116.868 116.868 119.078 -2.210 17879 793 1 2 . 1 1 25 25 ARG HA H 24 3.922 3.922 4.109 -0.187 17879 794 1 2 . 1 1 25 25 ARG C C 24 176.266 176.266 176.704 -0.438 17879 795 1 2 . 1 1 25 25 ARG CA C 24 57.158 57.158 56.659 0.499 17879 796 1 2 . 1 1 25 25 ARG CB C 24 31.477 31.477 31.541 -0.064 17879 797 1 2 . 1 1 25 25 ARG H H 24 7.815 7.815 7.398 0.417 17879 798 1 2 . 1 1 26 26 PHE N N 25 116.737 116.737 117.415 -0.678 17879 799 1 2 . 1 1 26 26 PHE HA H 25 5.084 5.084 4.990 0.094 17879 800 1 2 . 1 1 26 26 PHE CA C 25 54.304 54.304 54.480 -0.176 17879 801 1 2 . 1 1 26 26 PHE CB C 25 39.026 39.026 38.402 0.624 17879 802 1 2 . 1 1 26 26 PHE H H 25 8.658 8.658 7.695 0.963 17879 803 1 2 . 1 1 27 27 PRO HA H 26 4.503 4.503 4.352 0.151 17879 804 1 2 . 1 1 27 27 PRO C C 26 177.538 177.538 176.599 0.939 17879 805 1 2 . 1 1 27 27 PRO CA C 26 64.394 64.394 64.064 0.330 17879 806 1 2 . 1 1 27 27 PRO CB C 26 31.961 31.961 32.143 -0.182 17879 807 1 2 . 1 1 28 28 ASN N N 27 114.596 114.596 117.324 -2.728 17879 808 1 2 . 1 1 28 28 ASN HA H 27 4.725 4.725 4.785 -0.060 17879 809 1 2 . 1 1 28 28 ASN C C 27 174.678 174.678 174.603 0.075 17879 810 1 2 . 1 1 28 28 ASN CA C 27 52.868 52.868 52.444 0.424 17879 811 1 2 . 1 1 28 28 ASN CB C 27 38.331 38.331 37.732 0.599 17879 812 1 2 . 1 1 28 28 ASN H H 27 8.537 8.537 8.815 -0.278 17879 813 1 2 . 1 1 29 29 ARG N N 28 116.946 116.946 119.294 -2.348 17879 814 1 2 . 1 1 29 29 ARG HA H 28 4.769 4.769 4.566 0.203 17879 815 1 2 . 1 1 29 29 ARG C C 28 174.469 174.469 174.224 0.245 17879 816 1 2 . 1 1 29 29 ARG CA C 28 52.948 52.948 54.146 -1.198 17879 817 1 2 . 1 1 29 29 ARG CB C 28 32.941 32.941 33.438 -0.497 17879 818 1 2 . 1 1 29 29 ARG H H 28 7.580 7.580 7.383 0.197 17879 819 1 2 . 1 1 30 30 ILE N N 29 121.854 121.854 120.655 1.199 17879 820 1 2 . 1 1 30 30 ILE HA H 29 4.098 4.098 4.045 0.053 17879 821 1 2 . 1 1 30 30 ILE CA C 29 55.558 55.558 56.822 -1.264 17879 822 1 2 . 1 1 30 30 ILE CB C 29 38.805 38.805 39.666 -0.861 17879 823 1 2 . 1 1 30 30 ILE H H 29 9.262 9.262 8.615 0.647 17879 824 1 2 . 1 1 31 31 PRO HA H 30 4.856 4.856 4.527 0.329 17879 825 1 2 . 1 1 31 31 PRO C C 30 174.121 174.121 176.247 -2.126 17879 826 1 2 . 1 1 31 31 PRO CA C 30 61.705 61.705 62.356 -0.651 17879 827 1 2 . 1 1 31 31 PRO CB C 30 30.966 30.966 30.838 0.128 17879 828 1 2 . 1 1 32 32 VAL N N 31 127.197 127.197 119.087 8.110 17879 829 1 2 . 1 1 32 32 VAL HA H 31 4.997 4.997 4.963 0.034 17879 830 1 2 . 1 1 32 32 VAL C C 31 174.181 174.181 174.040 0.141 17879 831 1 2 . 1 1 32 32 VAL CA C 31 60.620 60.620 58.870 1.750 17879 832 1 2 . 1 1 32 32 VAL CB C 31 35.645 35.645 36.313 -0.668 17879 833 1 2 . 1 1 32 32 VAL H H 31 9.096 9.096 9.093 0.003 17879 834 1 2 . 1 1 33 33 ILE N N 32 127.157 127.157 119.760 7.397 17879 835 1 2 . 1 1 33 33 ILE HA H 32 4.917 4.917 4.711 0.206 17879 836 1 2 . 1 1 33 33 ILE C C 32 174.991 174.991 175.216 -0.225 17879 837 1 2 . 1 1 33 33 ILE CA C 32 56.589 56.589 59.790 -3.201 17879 838 1 2 . 1 1 33 33 ILE CB C 32 35.908 35.908 39.604 -3.696 17879 839 1 2 . 1 1 33 33 ILE H H 32 8.775 8.775 7.996 0.779 17879 840 1 2 . 1 1 34 34 CYS N N 33 129.280 129.280 127.889 1.391 17879 841 1 2 . 1 1 34 34 CYS HA H 33 5.559 5.559 4.864 0.695 17879 842 1 2 . 1 1 34 34 CYS C C 33 173.218 173.218 173.787 -0.569 17879 843 1 2 . 1 1 34 34 CYS CA C 33 57.121 57.121 58.289 -1.169 17879 844 1 2 . 1 1 34 34 CYS CB C 33 28.880 28.880 29.147 -0.267 17879 845 1 2 . 1 1 34 34 CYS H H 33 9.738 9.738 9.319 0.419 17879 846 1 2 . 1 1 35 35 GLU N N 34 124.130 124.130 125.450 -1.320 17879 847 1 2 . 1 1 35 35 GLU HA H 34 4.977 4.977 4.865 0.112 17879 848 1 2 . 1 1 35 35 GLU C C 34 174.190 174.190 174.044 0.146 17879 849 1 2 . 1 1 35 35 GLU CA C 34 54.308 54.308 54.939 -0.631 17879 850 1 2 . 1 1 35 35 GLU CB C 34 35.281 35.281 34.372 0.909 17879 851 1 2 . 1 1 35 35 GLU H H 34 8.531 8.531 8.452 0.079 17879 852 1 2 . 1 1 36 36 LYS N N 35 123.562 123.562 124.050 -0.488 17879 853 1 2 . 1 1 36 36 LYS HA H 35 3.056 3.056 3.456 -0.400 17879 854 1 2 . 1 1 36 36 LYS C C 35 177.452 177.452 175.902 1.550 17879 855 1 2 . 1 1 36 36 LYS CA C 35 56.374 56.374 54.828 1.546 17879 856 1 2 . 1 1 36 36 LYS CB C 35 32.750 32.750 32.618 0.132 17879 857 1 2 . 1 1 36 36 LYS H H 35 8.949 8.949 8.679 0.270 17879 858 1 2 . 1 1 37 37 ALA N N 36 129.494 129.494 129.640 -0.146 17879 859 1 2 . 1 1 37 37 ALA HA H 36 4.163 4.163 4.408 -0.245 17879 860 1 2 . 1 1 37 37 ALA C C 36 178.375 178.375 178.098 0.277 17879 861 1 2 . 1 1 37 37 ALA CA C 36 52.702 52.702 51.103 1.599 17879 862 1 2 . 1 1 37 37 ALA CB C 36 18.673 18.673 19.264 -0.591 17879 863 1 2 . 1 1 37 37 ALA H H 36 8.561 8.561 7.925 0.636 17879 864 1 2 . 1 1 38 38 GLU N N 37 125.115 125.115 125.508 -0.393 17879 865 1 2 . 1 1 38 38 GLU HA H 37 3.959 3.959 3.831 0.128 17879 866 1 2 . 1 1 38 38 GLU C C 37 177.516 177.516 177.663 -0.147 17879 867 1 2 . 1 1 38 38 GLU CA C 37 59.302 59.302 59.455 -0.153 17879 868 1 2 . 1 1 38 38 GLU CB C 37 30.154 30.154 29.099 1.055 17879 869 1 2 . 1 1 38 38 GLU H H 37 8.648 8.648 8.711 -0.063 17879 870 1 2 . 1 1 39 39 LYS N N 38 115.020 115.020 119.812 -4.792 17879 871 1 2 . 1 1 39 39 LYS HA H 38 4.188 4.188 3.988 0.200 17879 872 1 2 . 1 1 39 39 LYS C C 38 176.244 176.244 177.402 -1.158 17879 873 1 2 . 1 1 39 39 LYS CA C 38 56.564 56.564 58.452 -1.888 17879 874 1 2 . 1 1 39 39 LYS CB C 38 31.484 31.484 31.831 -0.347 17879 875 1 2 . 1 1 39 39 LYS H H 38 8.494 8.494 7.921 0.573 17879 876 1 2 . 1 1 40 40 SER N N 39 113.091 113.091 113.945 -0.854 17879 877 1 2 . 1 1 40 40 SER HA H 39 4.535 4.535 4.267 0.268 17879 878 1 2 . 1 1 40 40 SER C C 39 174.896 174.896 173.579 1.317 17879 879 1 2 . 1 1 40 40 SER CA C 39 57.985 57.985 58.766 -0.781 17879 880 1 2 . 1 1 40 40 SER CB C 39 65.000 65.000 63.907 1.093 17879 881 1 2 . 1 1 40 40 SER H H 39 7.346 7.346 7.975 -0.629 17879 882 1 2 . 1 1 41 41 ASP N N 40 127.375 127.375 119.938 7.437 17879 883 1 2 . 1 1 41 41 ASP HA H 40 4.782 4.782 4.815 -0.033 17879 884 1 2 . 1 1 41 41 ASP C C 40 175.205 175.205 175.225 -0.020 17879 885 1 2 . 1 1 41 41 ASP CA C 40 53.549 53.549 53.138 0.411 17879 886 1 2 . 1 1 41 41 ASP CB C 40 39.916 39.916 40.553 -0.637 17879 887 1 2 . 1 1 41 41 ASP H H 40 8.744 8.744 8.623 0.121 17879 888 1 2 . 1 1 42 42 ILE N N 41 122.943 122.943 117.546 5.397 17879 889 1 2 . 1 1 42 42 ILE HA H 41 4.661 4.661 4.647 0.014 17879 890 1 2 . 1 1 42 42 ILE CA C 41 59.133 59.133 58.182 0.951 17879 891 1 2 . 1 1 42 42 ILE CB C 41 40.534 40.534 38.775 1.759 17879 892 1 2 . 1 1 42 42 ILE H H 41 7.649 7.649 7.604 0.045 17879 893 1 2 . 1 1 43 43 PRO HA H 42 4.414 4.414 4.594 -0.180 17879 894 1 2 . 1 1 43 43 PRO C C 42 175.952 175.952 176.443 -0.491 17879 895 1 2 . 1 1 43 43 PRO CA C 42 63.829 63.829 62.568 1.261 17879 896 1 2 . 1 1 43 43 PRO CB C 42 32.895 32.895 32.213 0.682 17879 897 1 2 . 1 1 44 44 GLU N N 43 120.369 120.369 123.340 -2.971 17879 898 1 2 . 1 1 44 44 GLU HA H 43 4.298 4.298 4.214 0.084 17879 899 1 2 . 1 1 44 44 GLU C C 43 175.316 175.316 176.727 -1.411 17879 900 1 2 . 1 1 44 44 GLU CA C 43 56.400 56.400 56.735 -0.335 17879 901 1 2 . 1 1 44 44 GLU CB C 43 31.282 31.282 30.542 0.740 17879 902 1 2 . 1 1 44 44 GLU H H 43 8.393 8.393 8.515 -0.122 17879 903 1 2 . 1 1 45 45 ILE N N 44 123.670 123.670 123.644 0.026 17879 904 1 2 . 1 1 45 45 ILE HA H 44 4.419 4.419 4.271 0.148 17879 905 1 2 . 1 1 45 45 ILE C C 44 174.786 174.786 176.319 -1.533 17879 906 1 2 . 1 1 45 45 ILE CA C 44 61.027 61.027 60.587 0.440 17879 907 1 2 . 1 1 45 45 ILE CB C 44 40.509 40.509 39.954 0.555 17879 908 1 2 . 1 1 45 45 ILE H H 44 8.067 8.067 8.105 -0.038 17879 909 1 2 . 1 1 46 46 ASP N N 45 123.340 123.340 122.954 0.386 17879 910 1 2 . 1 1 46 46 ASP HA H 45 4.412 4.412 4.467 -0.055 17879 911 1 2 . 1 1 46 46 ASP C C 45 175.494 175.494 176.031 -0.537 17879 912 1 2 . 1 1 46 46 ASP CA C 45 55.467 55.467 56.314 -0.847 17879 913 1 2 . 1 1 46 46 ASP CB C 45 40.320 40.320 40.838 -0.518 17879 914 1 2 . 1 1 46 46 ASP H H 45 8.468 8.468 8.935 -0.467 17879 915 1 2 . 1 1 47 47 LYS N N 46 121.295 121.295 116.324 4.971 17879 916 1 2 . 1 1 47 47 LYS HA H 46 4.428 4.428 5.106 -0.678 17879 917 1 2 . 1 1 47 47 LYS CA C 46 56.020 56.020 54.004 2.016 17879 918 1 2 . 1 1 47 47 LYS CB C 46 34.644 34.644 35.588 -0.944 17879 919 1 2 . 1 1 47 47 LYS H H 46 7.319 7.319 7.565 -0.246 17879 920 1 2 . 1 1 48 48 ARG N N 47 124.949 124.949 119.663 5.286 17879 921 1 2 . 1 1 48 48 ARG HA H 47 5.271 5.271 4.986 0.285 17879 922 1 2 . 1 1 48 48 ARG C C 47 173.546 173.546 175.124 -1.578 17879 923 1 2 . 1 1 48 48 ARG CA C 47 55.581 55.581 55.407 0.173 17879 924 1 2 . 1 1 48 48 ARG CB C 47 32.992 32.992 30.659 2.333 17879 925 1 2 . 1 1 48 48 ARG H H 47 8.558 8.558 8.372 0.186 17879 926 1 2 . 1 1 49 49 LYS N N 48 122.812 122.812 123.832 -1.020 17879 927 1 2 . 1 1 49 49 LYS HA H 48 5.030 5.030 4.391 0.639 17879 928 1 2 . 1 1 49 49 LYS C C 48 174.301 174.301 174.005 0.296 17879 929 1 2 . 1 1 49 49 LYS CA C 48 55.042 55.042 56.321 -1.279 17879 930 1 2 . 1 1 49 49 LYS CB C 48 34.065 34.065 33.658 0.406 17879 931 1 2 . 1 1 49 49 LYS H H 48 7.440 7.440 8.177 -0.737 17879 932 1 2 . 1 1 50 50 TYR N N 49 124.842 124.842 125.165 -0.323 17879 933 1 2 . 1 1 50 50 TYR HA H 49 4.721 4.721 4.705 0.016 17879 934 1 2 . 1 1 50 50 TYR C C 49 173.674 173.674 174.027 -0.353 17879 935 1 2 . 1 1 50 50 TYR CA C 49 57.192 57.192 57.176 0.016 17879 936 1 2 . 1 1 50 50 TYR CB C 49 43.123 43.123 42.514 0.609 17879 937 1 2 . 1 1 50 50 TYR H H 49 9.590 9.590 9.012 0.578 17879 938 1 2 . 1 1 51 51 LEU N N 50 124.138 124.138 126.269 -2.131 17879 939 1 2 . 1 1 51 51 LEU HA H 50 4.753 4.753 4.819 -0.066 17879 940 1 2 . 1 1 51 51 LEU C C 50 176.050 176.050 175.455 0.595 17879 941 1 2 . 1 1 51 51 LEU CA C 50 53.158 53.158 53.669 -0.511 17879 942 1 2 . 1 1 51 51 LEU CB C 50 41.155 41.155 42.880 -1.725 17879 943 1 2 . 1 1 51 51 LEU H H 50 8.901 8.901 8.767 0.134 17879 944 1 2 . 1 1 52 52 VAL N N 51 123.181 123.181 118.462 4.719 17879 945 1 2 . 1 1 52 52 VAL HA H 51 3.948 3.948 4.496 -0.548 17879 946 1 2 . 1 1 52 52 VAL CA C 51 59.724 59.724 59.115 0.609 17879 947 1 2 . 1 1 52 52 VAL CB C 51 33.605 33.605 31.959 1.646 17879 948 1 2 . 1 1 52 52 VAL H H 51 8.513 8.513 7.889 0.624 17879 949 1 2 . 1 1 53 53 PRO HA H 52 4.305 4.305 4.381 -0.076 17879 950 1 2 . 1 1 53 53 PRO C C 52 176.607 176.607 175.953 0.654 17879 951 1 2 . 1 1 53 53 PRO CA C 52 63.950 63.950 61.795 2.155 17879 952 1 2 . 1 1 53 53 PRO CB C 52 32.163 32.163 32.691 -0.528 17879 953 1 2 . 1 1 54 54 ALA N N 53 123.771 123.771 119.613 4.158 17879 954 1 2 . 1 1 54 54 ALA HA H 53 3.720 3.720 4.241 -0.521 17879 955 1 2 . 1 1 54 54 ALA C C 53 176.409 176.409 176.964 -0.555 17879 956 1 2 . 1 1 54 54 ALA CA C 53 54.742 54.742 52.640 2.102 17879 957 1 2 . 1 1 54 54 ALA CB C 53 18.948 18.948 19.115 -0.167 17879 958 1 2 . 1 1 54 54 ALA H H 53 7.926 7.926 8.241 -0.315 17879 959 1 2 . 1 1 55 55 ASP N N 54 111.152 111.152 117.825 -6.673 17879 960 1 2 . 1 1 55 55 ASP HA H 54 4.621 4.621 4.649 -0.028 17879 961 1 2 . 1 1 55 55 ASP C C 54 175.823 175.823 176.278 -0.455 17879 962 1 2 . 1 1 55 55 ASP CA C 54 52.744 52.744 54.814 -2.070 17879 963 1 2 . 1 1 55 55 ASP CB C 54 39.861 39.861 41.932 -2.071 17879 964 1 2 . 1 1 55 55 ASP H H 54 8.106 8.106 8.066 0.040 17879 965 1 2 . 1 1 56 56 LEU N N 55 121.263 121.263 122.038 -0.775 17879 966 1 2 . 1 1 56 56 LEU HA H 55 4.351 4.351 4.239 0.112 17879 967 1 2 . 1 1 56 56 LEU C C 55 177.459 177.459 176.596 0.863 17879 968 1 2 . 1 1 56 56 LEU CA C 55 55.472 55.472 55.578 -0.106 17879 969 1 2 . 1 1 56 56 LEU CB C 55 43.593 43.593 43.000 0.593 17879 970 1 2 . 1 1 56 56 LEU H H 55 7.295 7.295 7.830 -0.535 17879 971 1 2 . 1 1 57 57 THR N N 56 114.222 114.222 115.320 -1.098 17879 972 1 2 . 1 1 57 57 THR HA H 56 5.233 5.233 4.499 0.734 17879 973 1 2 . 1 1 57 57 THR C C 56 176.538 176.538 175.699 0.839 17879 974 1 2 . 1 1 57 57 THR CA C 56 60.318 60.318 60.413 -0.095 17879 975 1 2 . 1 1 57 57 THR CB C 56 71.303 71.303 71.105 0.198 17879 976 1 2 . 1 1 57 57 THR H H 56 8.476 8.476 7.760 0.716 17879 977 1 2 . 1 1 58 58 VAL N N 57 122.331 122.331 119.905 2.426 17879 978 1 2 . 1 1 58 58 VAL HA H 57 3.738 3.738 3.889 -0.151 17879 979 1 2 . 1 1 58 58 VAL C C 57 178.743 178.743 177.474 1.269 17879 980 1 2 . 1 1 58 58 VAL CA C 57 66.797 66.797 66.374 0.423 17879 981 1 2 . 1 1 58 58 VAL CB C 57 31.801 31.801 31.610 0.191 17879 982 1 2 . 1 1 58 58 VAL H H 57 8.806 8.806 8.284 0.522 17879 983 1 2 . 1 1 59 59 GLY N N 58 105.470 105.470 104.435 1.035 17879 984 1 2 . 1 1 59 59 GLY C C 58 176.924 176.924 175.097 1.827 17879 985 1 2 . 1 1 59 59 GLY CA C 58 47.317 47.317 46.395 0.922 17879 986 1 2 . 1 1 59 59 GLY H H 58 9.381 9.381 7.742 1.639 17879 987 1 2 . 1 1 60 60 GLN N N 59 121.492 121.492 118.175 3.317 17879 988 1 2 . 1 1 60 60 GLN HA H 59 4.166 4.166 4.485 -0.319 17879 989 1 2 . 1 1 60 60 GLN C C 59 178.605 178.605 177.556 1.049 17879 990 1 2 . 1 1 60 60 GLN CA C 59 58.764 58.764 57.370 1.394 17879 991 1 2 . 1 1 60 60 GLN CB C 59 29.129 29.129 29.543 -0.413 17879 992 1 2 . 1 1 60 60 GLN H H 59 8.027 8.027 7.602 0.425 17879 993 1 2 . 1 1 61 61 PHE N N 60 122.595 122.595 122.240 0.355 17879 994 1 2 . 1 1 61 61 PHE HA H 60 4.291 4.291 4.340 -0.049 17879 995 1 2 . 1 1 61 61 PHE C C 60 176.690 176.690 176.830 -0.140 17879 996 1 2 . 1 1 61 61 PHE CA C 60 61.502 61.502 60.232 1.270 17879 997 1 2 . 1 1 61 61 PHE CB C 60 39.155 39.155 39.353 -0.198 17879 998 1 2 . 1 1 61 61 PHE H H 60 8.522 8.522 7.975 0.547 17879 999 1 2 . 1 1 62 62 VAL N N 61 118.720 118.720 118.201 0.519 17879 1000 1 2 . 1 1 62 62 VAL HA H 61 3.070 3.070 3.223 -0.153 17879 1001 1 2 . 1 1 62 62 VAL C C 61 176.872 176.872 177.184 -0.312 17879 1002 1 2 . 1 1 62 62 VAL CA C 61 67.040 67.040 66.755 0.284 17879 1003 1 2 . 1 1 62 62 VAL CB C 61 31.119 31.119 31.170 -0.051 17879 1004 1 2 . 1 1 62 62 VAL H H 61 8.705 8.705 7.886 0.819 17879 1005 1 2 . 1 1 63 63 TYR N N 62 118.462 118.462 119.756 -1.294 17879 1006 1 2 . 1 1 63 63 TYR HA H 62 3.987 3.987 4.011 -0.024 17879 1007 1 2 . 1 1 63 63 TYR C C 62 177.325 177.325 177.002 0.323 17879 1008 1 2 . 1 1 63 63 TYR CA C 62 61.685 61.685 61.163 0.522 17879 1009 1 2 . 1 1 63 63 TYR CB C 62 37.906 37.906 37.602 0.304 17879 1010 1 2 . 1 1 63 63 TYR H H 62 7.373 7.373 7.887 -0.514 17879 1011 1 2 . 1 1 64 64 VAL N N 63 119.137 119.137 118.497 0.640 17879 1012 1 2 . 1 1 64 64 VAL HA H 63 3.342 3.342 2.696 0.646 17879 1013 1 2 . 1 1 64 64 VAL C C 63 178.326 178.326 178.096 0.230 17879 1014 1 2 . 1 1 64 64 VAL CA C 63 66.615 66.615 65.346 1.269 17879 1015 1 2 . 1 1 64 64 VAL CB C 63 31.157 31.157 31.113 0.043 17879 1016 1 2 . 1 1 64 64 VAL H H 63 7.376 7.376 7.209 0.167 17879 1017 1 2 . 1 1 65 65 ILE N N 64 118.858 118.858 119.724 -0.866 17879 1018 1 2 . 1 1 65 65 ILE HA H 64 3.279 3.279 3.574 -0.295 17879 1019 1 2 . 1 1 65 65 ILE C C 64 177.653 177.653 178.264 -0.611 17879 1020 1 2 . 1 1 65 65 ILE CA C 64 63.682 63.682 62.180 1.502 17879 1021 1 2 . 1 1 65 65 ILE CB C 64 36.150 36.150 35.952 0.198 17879 1022 1 2 . 1 1 65 65 ILE H H 64 7.366 7.366 7.422 -0.056 17879 1023 1 2 . 1 1 66 66 ARG N N 65 118.729 118.729 120.068 -1.339 17879 1024 1 2 . 1 1 66 66 ARG HA H 65 3.397 3.397 3.786 -0.389 17879 1025 1 2 . 1 1 66 66 ARG C C 65 178.284 178.284 178.627 -0.343 17879 1026 1 2 . 1 1 66 66 ARG CA C 65 60.078 60.078 59.246 0.832 17879 1027 1 2 . 1 1 66 66 ARG CB C 65 30.022 30.022 29.817 0.205 17879 1028 1 2 . 1 1 66 66 ARG H H 65 8.463 8.463 8.346 0.117 17879 1029 1 2 . 1 1 67 67 LYS N N 66 116.643 116.643 118.339 -1.696 17879 1030 1 2 . 1 1 67 67 LYS HA H 66 3.951 3.951 4.061 -0.110 17879 1031 1 2 . 1 1 67 67 LYS C C 66 178.989 178.989 179.538 -0.549 17879 1032 1 2 . 1 1 67 67 LYS CA C 66 58.347 58.347 58.701 -0.354 17879 1033 1 2 . 1 1 67 67 LYS CB C 66 31.938 31.938 31.609 0.329 17879 1034 1 2 . 1 1 67 67 LYS H H 66 7.536 7.536 8.031 -0.495 17879 1035 1 2 . 1 1 68 68 ARG N N 67 119.051 119.051 118.917 0.134 17879 1036 1 2 . 1 1 68 68 ARG HA H 67 4.104 4.104 4.064 0.040 17879 1037 1 2 . 1 1 68 68 ARG C C 67 178.122 178.122 177.858 0.264 17879 1038 1 2 . 1 1 68 68 ARG CA C 67 58.182 58.182 58.595 -0.413 17879 1039 1 2 . 1 1 68 68 ARG CB C 67 30.273 30.273 30.420 -0.147 17879 1040 1 2 . 1 1 68 68 ARG H H 67 7.783 7.783 8.097 -0.314 17879 1041 1 2 . 1 1 69 69 ILE N N 68 112.456 112.456 110.774 1.682 17879 1042 1 2 . 1 1 69 69 ILE HA H 68 4.223 4.223 4.404 -0.181 17879 1043 1 2 . 1 1 69 69 ILE C C 68 174.568 174.568 175.351 -0.783 17879 1044 1 2 . 1 1 69 69 ILE CA C 68 61.502 61.502 59.928 1.574 17879 1045 1 2 . 1 1 69 69 ILE CB C 68 38.643 38.643 38.580 0.063 17879 1046 1 2 . 1 1 69 69 ILE H H 68 7.675 7.675 7.648 0.027 17879 1047 1 2 . 1 1 70 70 MET N N 69 118.509 118.509 115.466 3.043 17879 1048 1 2 . 1 1 70 70 MET HA H 69 3.982 3.982 3.984 -0.002 17879 1049 1 2 . 1 1 70 70 MET C C 69 175.482 175.482 175.196 0.286 17879 1050 1 2 . 1 1 70 70 MET CA C 69 55.811 55.811 56.059 -0.248 17879 1051 1 2 . 1 1 70 70 MET CB C 69 29.392 29.392 29.393 -0.001 17879 1052 1 2 . 1 1 70 70 MET H H 69 7.805 7.805 7.609 0.196 17879 1053 1 2 . 1 1 71 71 LEU N N 70 121.952 121.952 122.750 -0.798 17879 1054 1 2 . 1 1 71 71 LEU HA H 70 4.603 4.603 4.268 0.335 17879 1055 1 2 . 1 1 71 71 LEU CA C 70 52.560 52.560 54.542 -1.982 17879 1056 1 2 . 1 1 71 71 LEU CB C 70 44.045 44.045 41.757 2.288 17879 1057 1 2 . 1 1 71 71 LEU H H 70 7.493 7.493 7.736 -0.243 17879 1058 1 2 . 1 1 72 72 PRO HA H 71 4.678 4.678 4.802 -0.124 17879 1059 1 2 . 1 1 72 72 PRO CA C 71 62.124 62.124 61.135 0.990 17879 1060 1 2 . 1 1 72 72 PRO CB C 71 31.307 31.307 31.176 0.131 17879 1061 1 2 . 1 1 73 73 PRO HA H 72 4.123 4.123 4.380 -0.257 17879 1062 1 2 . 1 1 73 73 PRO C C 72 177.052 177.052 176.591 0.461 17879 1063 1 2 . 1 1 73 73 PRO CA C 72 64.924 64.924 64.231 0.693 17879 1064 1 2 . 1 1 73 73 PRO CB C 72 32.049 32.049 32.102 -0.053 17879 1065 1 2 . 1 1 74 74 GLU N N 73 115.091 115.091 115.935 -0.844 17879 1066 1 2 . 1 1 74 74 GLU HA H 73 4.181 4.181 4.345 -0.164 17879 1067 1 2 . 1 1 74 74 GLU C C 73 176.459 176.459 176.472 -0.013 17879 1068 1 2 . 1 1 74 74 GLU CA C 73 57.774 57.774 56.210 1.564 17879 1069 1 2 . 1 1 74 74 GLU CB C 73 28.321 28.321 29.224 -0.903 17879 1070 1 2 . 1 1 74 74 GLU H H 73 9.065 9.065 8.509 0.556 17879 1071 1 2 . 1 1 75 75 LYS N N 74 121.755 121.755 119.930 1.825 17879 1072 1 2 . 1 1 75 75 LYS HA H 74 4.520 4.520 4.569 -0.049 17879 1073 1 2 . 1 1 75 75 LYS C C 74 174.789 174.789 174.632 0.157 17879 1074 1 2 . 1 1 75 75 LYS CA C 74 54.789 54.789 55.177 -0.388 17879 1075 1 2 . 1 1 75 75 LYS CB C 74 32.882 32.882 35.339 -2.457 17879 1076 1 2 . 1 1 75 75 LYS H H 74 7.797 7.797 7.487 0.310 17879 1077 1 2 . 1 1 76 76 ALA N N 75 127.848 127.848 121.444 6.404 17879 1078 1 2 . 1 1 76 76 ALA HA H 75 4.072 4.072 4.573 -0.501 17879 1079 1 2 . 1 1 76 76 ALA C C 75 175.710 175.710 175.165 0.545 17879 1080 1 2 . 1 1 76 76 ALA CA C 75 52.226 52.226 51.095 1.131 17879 1081 1 2 . 1 1 76 76 ALA CB C 75 20.956 20.956 21.398 -0.442 17879 1082 1 2 . 1 1 76 76 ALA H H 75 8.410 8.410 8.304 0.106 17879 1083 1 2 . 1 1 77 77 ILE N N 76 114.298 114.298 119.504 -5.206 17879 1084 1 2 . 1 1 77 77 ILE HA H 76 4.593 4.593 4.273 0.320 17879 1085 1 2 . 1 1 77 77 ILE C C 76 172.379 172.379 173.336 -0.957 17879 1086 1 2 . 1 1 77 77 ILE CA C 76 59.699 59.699 61.726 -2.027 17879 1087 1 2 . 1 1 77 77 ILE CB C 76 41.218 41.218 40.482 0.736 17879 1088 1 2 . 1 1 77 77 ILE H H 76 7.193 7.193 7.877 -0.684 17879 1089 1 2 . 1 1 78 78 PHE N N 77 124.094 124.094 126.690 -2.596 17879 1090 1 2 . 1 1 78 78 PHE HA H 77 4.556 4.556 4.812 -0.256 17879 1091 1 2 . 1 1 78 78 PHE C C 77 174.359 174.359 175.056 -0.697 17879 1092 1 2 . 1 1 78 78 PHE CA C 77 56.596 56.596 56.283 0.313 17879 1093 1 2 . 1 1 78 78 PHE CB C 77 42.370 42.370 41.884 0.486 17879 1094 1 2 . 1 1 78 78 PHE H H 77 8.931 8.931 8.352 0.579 17879 1095 1 2 . 1 1 79 79 ILE N N 78 117.724 117.724 122.166 -4.442 17879 1096 1 2 . 1 1 79 79 ILE HA H 78 5.233 5.233 4.924 0.309 17879 1097 1 2 . 1 1 79 79 ILE C C 78 173.334 173.334 175.043 -1.709 17879 1098 1 2 . 1 1 79 79 ILE CA C 78 58.130 58.130 60.467 -2.337 17879 1099 1 2 . 1 1 79 79 ILE CB C 78 39.360 39.360 38.152 1.208 17879 1100 1 2 . 1 1 79 79 ILE H H 78 8.025 8.025 8.831 -0.806 17879 1101 1 2 . 1 1 80 80 PHE N N 79 121.084 121.084 126.838 -5.754 17879 1102 1 2 . 1 1 80 80 PHE HA H 79 5.365 5.365 5.138 0.227 17879 1103 1 2 . 1 1 80 80 PHE C C 79 176.270 176.270 174.795 1.475 17879 1104 1 2 . 1 1 80 80 PHE CA C 79 55.948 55.948 56.459 -0.510 17879 1105 1 2 . 1 1 80 80 PHE CB C 79 42.763 42.763 42.292 0.471 17879 1106 1 2 . 1 1 80 80 PHE H H 79 9.210 9.210 9.067 0.143 17879 1107 1 2 . 1 1 81 81 VAL N N 80 117.974 117.974 123.416 -5.442 17879 1108 1 2 . 1 1 81 81 VAL HA H 80 4.520 4.520 4.456 0.064 17879 1109 1 2 . 1 1 81 81 VAL C C 80 175.699 175.699 175.419 0.280 17879 1110 1 2 . 1 1 81 81 VAL CA C 80 60.484 60.484 61.480 -0.996 17879 1111 1 2 . 1 1 81 81 VAL CB C 80 34.263 34.263 32.749 1.514 17879 1112 1 2 . 1 1 81 81 VAL H H 80 8.832 8.832 9.119 -0.287 17879 1113 1 2 . 1 1 82 82 ASN N N 81 127.615 127.615 125.613 2.002 17879 1114 1 2 . 1 1 82 82 ASN HA H 81 4.339 4.339 4.421 -0.082 17879 1115 1 2 . 1 1 82 82 ASN C C 81 174.036 174.036 174.188 -0.152 17879 1116 1 2 . 1 1 82 82 ASN CA C 81 55.231 55.231 54.215 1.016 17879 1117 1 2 . 1 1 82 82 ASN CB C 81 37.408 37.408 37.657 -0.249 17879 1118 1 2 . 1 1 82 82 ASN H H 81 9.689 9.689 9.251 0.438 17879 1119 1 2 . 1 1 83 83 ASP N N 82 112.699 112.699 111.779 0.920 17879 1120 1 2 . 1 1 83 83 ASP HA H 82 4.135 4.135 4.258 -0.123 17879 1121 1 2 . 1 1 83 83 ASP C C 82 174.560 174.560 175.164 -0.604 17879 1122 1 2 . 1 1 83 83 ASP CA C 82 55.638 55.638 55.205 0.433 17879 1123 1 2 . 1 1 83 83 ASP CB C 82 39.564 39.564 39.006 0.558 17879 1124 1 2 . 1 1 83 83 ASP H H 82 8.772 8.772 8.584 0.188 17879 1125 1 2 . 1 1 84 84 THR N N 83 112.567 112.567 114.156 -1.589 17879 1126 1 2 . 1 1 84 84 THR HA H 83 4.715 4.715 4.666 0.049 17879 1127 1 2 . 1 1 84 84 THR C C 83 172.200 172.200 173.005 -0.805 17879 1128 1 2 . 1 1 84 84 THR CA C 83 60.868 60.868 61.163 -0.294 17879 1129 1 2 . 1 1 84 84 THR CB C 83 72.206 72.206 71.528 0.678 17879 1130 1 2 . 1 1 84 84 THR H H 83 8.080 8.080 7.443 0.637 17879 1131 1 2 . 1 1 85 85 LEU N N 84 125.810 125.810 129.196 -3.386 17879 1132 1 2 . 1 1 85 85 LEU HA H 84 5.127 5.127 5.065 0.062 17879 1133 1 2 . 1 1 85 85 LEU CA C 84 51.927 51.927 51.921 0.006 17879 1134 1 2 . 1 1 85 85 LEU CB C 84 42.779 42.779 43.032 -0.253 17879 1135 1 2 . 1 1 85 85 LEU H H 84 8.520 8.520 8.623 -0.103 17879 1136 1 2 . 1 1 86 86 PRO HA H 85 4.835 4.835 4.769 0.066 17879 1137 1 2 . 1 1 86 86 PRO CA C 85 60.910 60.910 61.171 -0.261 17879 1138 1 2 . 1 1 86 86 PRO CB C 85 30.852 30.852 31.145 -0.293 17879 1139 1 2 . 1 1 87 87 PRO HA H 86 4.577 4.577 4.557 0.020 17879 1140 1 2 . 1 1 87 87 PRO C C 86 177.830 177.830 177.246 0.584 17879 1141 1 2 . 1 1 87 87 PRO CA C 86 62.424 62.424 62.340 0.084 17879 1142 1 2 . 1 1 87 87 PRO CB C 86 31.910 31.910 32.185 -0.276 17879 1143 1 2 . 1 1 88 88 THR N N 87 114.642 114.642 109.740 4.902 17879 1144 1 2 . 1 1 88 88 THR HA H 87 3.802 3.802 4.224 -0.422 17879 1145 1 2 . 1 1 88 88 THR C C 87 175.702 175.702 175.728 -0.026 17879 1146 1 2 . 1 1 88 88 THR CA C 87 65.079 65.079 64.701 0.378 17879 1147 1 2 . 1 1 88 88 THR CB C 87 68.818 68.818 68.575 0.243 17879 1148 1 2 . 1 1 88 88 THR H H 87 8.291 8.291 8.144 0.147 17879 1149 1 2 . 1 1 89 89 ALA N N 88 119.706 119.706 122.531 -2.825 17879 1150 1 2 . 1 1 89 89 ALA HA H 88 4.420 4.420 4.283 0.137 17879 1151 1 2 . 1 1 89 89 ALA C C 88 177.690 177.690 178.086 -0.396 17879 1152 1 2 . 1 1 89 89 ALA CA C 88 52.118 52.118 52.346 -0.228 17879 1153 1 2 . 1 1 89 89 ALA CB C 88 19.334 19.334 17.744 1.591 17879 1154 1 2 . 1 1 89 89 ALA H H 88 8.031 8.031 8.147 -0.116 17879 1155 1 2 . 1 1 90 90 ALA N N 89 120.388 120.388 123.355 -2.967 17879 1156 1 2 . 1 1 90 90 ALA HA H 89 4.179 4.179 4.285 -0.106 17879 1157 1 2 . 1 1 90 90 ALA C C 89 176.520 176.520 176.317 0.203 17879 1158 1 2 . 1 1 90 90 ALA CA C 89 52.454 52.454 51.007 1.447 17879 1159 1 2 . 1 1 90 90 ALA CB C 89 19.301 19.301 17.194 2.107 17879 1160 1 2 . 1 1 90 90 ALA H H 89 7.465 7.465 7.252 0.213 17879 1161 1 2 . 1 1 91 91 LEU N N 90 119.307 119.307 121.467 -2.160 17879 1162 1 2 . 1 1 91 91 LEU HA H 90 4.490 4.490 3.878 0.612 17879 1163 1 2 . 1 1 91 91 LEU C C 90 179.555 179.555 178.261 1.294 17879 1164 1 2 . 1 1 91 91 LEU CA C 90 54.578 54.578 55.902 -1.324 17879 1165 1 2 . 1 1 91 91 LEU CB C 90 42.689 42.689 41.330 1.359 17879 1166 1 2 . 1 1 91 91 LEU H H 90 8.458 8.458 8.490 -0.032 17879 1167 1 2 . 1 1 92 92 MET N N 91 121.586 121.586 123.097 -1.511 17879 1168 1 2 . 1 1 92 92 MET HA H 91 4.231 4.231 3.880 0.351 17879 1169 1 2 . 1 1 92 92 MET C C 91 178.860 178.860 178.541 0.319 17879 1170 1 2 . 1 1 92 92 MET CA C 91 56.938 56.938 59.339 -2.401 17879 1171 1 2 . 1 1 92 92 MET CB C 91 29.372 29.372 31.557 -2.185 17879 1172 1 2 . 1 1 92 92 MET H H 91 9.203 9.203 8.473 0.730 17879 1173 1 2 . 1 1 93 93 SER N N 92 112.826 112.826 114.890 -2.064 17879 1174 1 2 . 1 1 93 93 SER HA H 92 3.978 3.978 4.010 -0.032 17879 1175 1 2 . 1 1 93 93 SER C C 92 176.318 176.318 176.294 0.024 17879 1176 1 2 . 1 1 93 93 SER CA C 92 60.871 60.871 61.485 -0.614 17879 1177 1 2 . 1 1 93 93 SER CB C 92 61.575 61.575 62.899 -1.324 17879 1178 1 2 . 1 1 93 93 SER H H 92 8.717 8.717 8.396 0.321 17879 1179 1 2 . 1 1 94 94 ALA N N 93 126.735 126.735 123.581 3.154 17879 1180 1 2 . 1 1 94 94 ALA HA H 93 4.357 4.357 4.149 0.208 17879 1181 1 2 . 1 1 94 94 ALA C C 93 180.789 180.789 179.039 1.750 17879 1182 1 2 . 1 1 94 94 ALA CA C 93 54.841 54.841 54.498 0.342 17879 1183 1 2 . 1 1 94 94 ALA CB C 93 18.603 18.603 18.220 0.384 17879 1184 1 2 . 1 1 94 94 ALA H H 93 7.058 7.058 7.934 -0.876 17879 1185 1 2 . 1 1 95 95 ILE N N 94 118.720 118.720 116.639 2.081 17879 1186 1 2 . 1 1 95 95 ILE HA H 94 4.063 4.063 4.190 -0.127 17879 1187 1 2 . 1 1 95 95 ILE C C 94 178.326 178.326 177.637 0.689 17879 1188 1 2 . 1 1 95 95 ILE CA C 94 62.755 62.755 62.583 0.172 17879 1189 1 2 . 1 1 95 95 ILE CB C 94 36.410 36.410 38.052 -1.642 17879 1190 1 2 . 1 1 95 95 ILE H H 94 7.872 7.872 7.658 0.214 17879 1191 1 2 . 1 1 96 96 TYR N N 95 120.697 120.697 119.736 0.961 17879 1192 1 2 . 1 1 96 96 TYR HA H 95 4.007 4.007 4.265 -0.258 17879 1193 1 2 . 1 1 96 96 TYR C C 95 176.022 176.022 176.060 -0.038 17879 1194 1 2 . 1 1 96 96 TYR CA C 95 62.187 62.187 59.960 2.227 17879 1195 1 2 . 1 1 96 96 TYR CB C 95 39.093 39.093 38.831 0.262 17879 1196 1 2 . 1 1 96 96 TYR H H 95 8.841 8.841 8.424 0.417 17879 1197 1 2 . 1 1 97 97 GLN N N 96 114.982 114.982 117.788 -2.806 17879 1198 1 2 . 1 1 97 97 GLN HA H 96 3.778 3.778 4.355 -0.577 17879 1199 1 2 . 1 1 97 97 GLN C C 96 177.250 177.250 176.369 0.881 17879 1200 1 2 . 1 1 97 97 GLN CA C 96 58.719 58.719 56.668 2.051 17879 1201 1 2 . 1 1 97 97 GLN CB C 96 28.286 28.286 29.503 -1.217 17879 1202 1 2 . 1 1 97 97 GLN H H 96 7.757 7.757 7.896 -0.139 17879 1203 1 2 . 1 1 98 98 GLU N N 97 114.340 114.340 117.907 -3.567 17879 1204 1 2 . 1 1 98 98 GLU HA H 97 4.099 4.099 4.291 -0.192 17879 1205 1 2 . 1 1 98 98 GLU C C 97 178.140 178.140 176.769 1.371 17879 1206 1 2 . 1 1 98 98 GLU CA C 97 57.886 57.886 56.606 1.280 17879 1207 1 2 . 1 1 98 98 GLU CB C 97 31.589 31.589 31.053 0.536 17879 1208 1 2 . 1 1 98 98 GLU H H 97 7.117 7.117 7.557 -0.440 17879 1209 1 2 . 1 1 99 99 HIS N N 98 113.377 113.377 117.760 -4.383 17879 1210 1 2 . 1 1 99 99 HIS HA H 98 4.829 4.829 4.741 0.088 17879 1211 1 2 . 1 1 99 99 HIS C C 98 175.856 175.856 173.982 1.874 17879 1212 1 2 . 1 1 99 99 HIS CA C 98 56.738 56.738 54.280 2.458 17879 1213 1 2 . 1 1 99 99 HIS CB C 98 32.930 32.930 31.188 1.742 17879 1214 1 2 . 1 1 99 99 HIS H H 98 8.247 8.247 7.694 0.553 17879 1215 1 2 . 1 1 100 100 LYS N N 99 120.905 120.905 118.753 2.152 17879 1216 1 2 . 1 1 100 100 LYS HA H 99 3.994 3.994 3.813 0.181 17879 1217 1 2 . 1 1 100 100 LYS C C 99 174.832 174.832 175.555 -0.723 17879 1218 1 2 . 1 1 100 100 LYS CA C 99 57.693 57.693 56.874 0.819 17879 1219 1 2 . 1 1 100 100 LYS CB C 99 31.703 31.703 32.628 -0.925 17879 1220 1 2 . 1 1 100 100 LYS H H 99 8.065 8.065 7.578 0.487 17879 1221 1 2 . 1 1 101 101 ASP N N 100 124.188 124.188 120.130 4.058 17879 1222 1 2 . 1 1 101 101 ASP HA H 100 4.765 4.765 4.955 -0.190 17879 1223 1 2 . 1 1 101 101 ASP C C 100 177.692 177.692 176.229 1.463 17879 1224 1 2 . 1 1 101 101 ASP CA C 100 54.030 54.030 52.300 1.730 17879 1225 1 2 . 1 1 101 101 ASP CB C 100 43.429 43.429 44.394 -0.965 17879 1226 1 2 . 1 1 101 101 ASP H H 100 9.027 9.027 8.089 0.938 17879 1227 1 2 . 1 1 102 102 LYS N N 101 125.898 125.898 120.421 5.477 17879 1228 1 2 . 1 1 102 102 LYS HA H 101 4.239 4.239 4.184 0.055 17879 1229 1 2 . 1 1 102 102 LYS C C 101 178.053 178.053 177.277 0.776 17879 1230 1 2 . 1 1 102 102 LYS CA C 101 59.482 59.482 59.642 -0.160 17879 1231 1 2 . 1 1 102 102 LYS CB C 101 32.821 32.821 32.572 0.249 17879 1232 1 2 . 1 1 102 102 LYS H H 101 8.678 8.678 8.829 -0.151 17879 1233 1 2 . 1 1 103 103 ASP N N 102 119.326 119.326 114.644 4.682 17879 1234 1 2 . 1 1 103 103 ASP HA H 102 4.127 4.127 4.380 -0.253 17879 1235 1 2 . 1 1 103 103 ASP C C 102 176.833 176.833 177.144 -0.311 17879 1236 1 2 . 1 1 103 103 ASP CA C 102 54.666 54.666 54.424 0.242 17879 1237 1 2 . 1 1 103 103 ASP CB C 102 39.848 39.848 39.902 -0.054 17879 1238 1 2 . 1 1 103 103 ASP H H 102 10.276 10.276 8.585 1.691 17879 1239 1 2 . 1 1 104 104 GLY N N 103 106.059 106.059 107.616 -1.557 17879 1240 1 2 . 1 1 104 104 GLY C C 103 174.655 174.655 174.921 -0.266 17879 1241 1 2 . 1 1 104 104 GLY CA C 103 45.319 45.319 45.465 -0.146 17879 1242 1 2 . 1 1 104 104 GLY H H 103 8.173 8.173 8.225 -0.052 17879 1243 1 2 . 1 1 105 105 PHE N N 104 121.781 121.781 121.386 0.395 17879 1244 1 2 . 1 1 105 105 PHE HA H 104 4.682 4.682 4.566 0.116 17879 1245 1 2 . 1 1 105 105 PHE C C 104 174.830 174.830 175.627 -0.797 17879 1246 1 2 . 1 1 105 105 PHE CA C 104 59.377 59.377 59.718 -0.341 17879 1247 1 2 . 1 1 105 105 PHE CB C 104 39.938 39.938 39.719 0.219 17879 1248 1 2 . 1 1 105 105 PHE H H 104 9.600 9.600 7.545 2.055 17879 1249 1 2 . 1 1 106 106 LEU N N 105 119.929 119.929 119.018 0.911 17879 1250 1 2 . 1 1 106 106 LEU HA H 105 4.897 4.897 4.369 0.528 17879 1251 1 2 . 1 1 106 106 LEU C C 105 173.947 173.947 175.899 -1.952 17879 1252 1 2 . 1 1 106 106 LEU CA C 105 53.463 53.463 53.665 -0.202 17879 1253 1 2 . 1 1 106 106 LEU CB C 105 45.066 45.066 43.894 1.172 17879 1254 1 2 . 1 1 106 106 LEU H H 105 8.376 8.376 8.508 -0.132 17879 1255 1 2 . 1 1 107 107 TYR N N 106 127.637 127.637 122.473 5.164 17879 1256 1 2 . 1 1 107 107 TYR HA H 106 4.992 4.992 4.910 0.082 17879 1257 1 2 . 1 1 107 107 TYR C C 106 176.099 176.099 174.613 1.486 17879 1258 1 2 . 1 1 107 107 TYR CA C 106 58.893 58.893 57.242 1.651 17879 1259 1 2 . 1 1 107 107 TYR CB C 106 38.140 38.140 38.753 -0.613 17879 1260 1 2 . 1 1 107 107 TYR H H 106 9.124 9.124 8.767 0.357 17879 1261 1 2 . 1 1 108 108 VAL N N 107 121.630 121.630 121.892 -0.262 17879 1262 1 2 . 1 1 108 108 VAL HA H 107 5.135 5.135 4.613 0.522 17879 1263 1 2 . 1 1 108 108 VAL C C 107 175.722 175.722 175.161 0.561 17879 1264 1 2 . 1 1 108 108 VAL CA C 107 59.587 59.587 59.919 -0.332 17879 1265 1 2 . 1 1 108 108 VAL CB C 107 34.787 34.787 34.666 0.121 17879 1266 1 2 . 1 1 108 108 VAL H H 107 9.560 9.560 8.635 0.925 17879 1267 1 2 . 1 1 109 109 THR N N 108 119.845 119.845 116.732 3.113 17879 1268 1 2 . 1 1 109 109 THR HA H 108 6.155 6.155 5.433 0.723 17879 1269 1 2 . 1 1 109 109 THR C C 108 174.158 174.158 173.198 0.960 17879 1270 1 2 . 1 1 109 109 THR CA C 108 59.869 59.869 61.728 -1.859 17879 1271 1 2 . 1 1 109 109 THR CB C 108 72.268 72.268 72.446 -0.178 17879 1272 1 2 . 1 1 109 109 THR H H 108 9.061 9.061 8.167 0.894 17879 1273 1 2 . 1 1 110 110 TYR N N 109 119.706 119.706 118.775 0.931 17879 1274 1 2 . 1 1 110 110 TYR HA H 109 6.332 6.332 5.897 0.435 17879 1275 1 2 . 1 1 110 110 TYR C C 109 173.366 173.366 173.332 0.034 17879 1276 1 2 . 1 1 110 110 TYR CA C 109 54.655 54.655 55.377 -0.722 17879 1277 1 2 . 1 1 110 110 TYR CB C 109 42.250 42.250 41.457 0.793 17879 1278 1 2 . 1 1 110 110 TYR H H 109 8.461 8.461 8.805 -0.344 17879 1279 1 2 . 1 1 111 111 SER N N 110 112.907 112.907 117.493 -4.586 17879 1280 1 2 . 1 1 111 111 SER HA H 110 4.745 4.745 4.988 -0.243 17879 1281 1 2 . 1 1 111 111 SER C C 110 173.692 173.692 176.025 -2.333 17879 1282 1 2 . 1 1 111 111 SER CA C 110 56.044 56.044 55.546 0.498 17879 1283 1 2 . 1 1 111 111 SER CB C 110 66.177 66.177 65.335 0.842 17879 1284 1 2 . 1 1 111 111 SER H H 110 9.089 9.089 8.899 0.190 17879 1285 1 2 . 1 1 112 112 GLY N N 111 111.054 111.054 114.564 -3.510 17879 1286 1 2 . 1 1 112 112 GLY C C 111 173.331 173.331 174.444 -1.113 17879 1287 1 2 . 1 1 112 112 GLY CA C 111 45.341 45.341 46.903 -1.562 17879 1288 1 2 . 1 1 112 112 GLY H H 111 8.443 8.443 8.842 -0.399 17879 1289 1 2 . 1 1 113 113 GLU N N 112 118.801 118.801 120.419 -1.618 17879 1290 1 2 . 1 1 113 113 GLU HA H 112 4.660 4.660 4.490 0.170 17879 1291 1 2 . 1 1 113 113 GLU C C 112 174.538 174.538 175.904 -1.366 17879 1292 1 2 . 1 1 113 113 GLU CA C 112 55.642 55.642 55.094 0.548 17879 1293 1 2 . 1 1 113 113 GLU CB C 112 32.930 32.930 30.926 2.004 17879 1294 1 2 . 1 1 113 113 GLU H H 112 8.413 8.413 7.634 0.779 17879 1295 1 2 . 1 1 114 114 ASN N N 113 118.152 118.152 121.293 -3.141 17879 1296 1 2 . 1 1 114 114 ASN HA H 113 4.187 4.187 4.717 -0.530 17879 1297 1 2 . 1 1 114 114 ASN C C 113 175.011 175.011 174.121 0.890 17879 1298 1 2 . 1 1 114 114 ASN CA C 113 51.910 51.910 52.051 -0.141 17879 1299 1 2 . 1 1 114 114 ASN CB C 113 36.865 36.865 36.305 0.560 17879 1300 1 2 . 1 1 114 114 ASN H H 113 8.207 8.207 8.516 -0.309 17879 1301 1 2 . 1 1 115 115 THR N N 114 112.887 112.887 115.492 -2.605 17879 1302 1 2 . 1 1 115 115 THR HA H 114 4.190 4.190 4.551 -0.361 17879 1303 1 2 . 1 1 115 115 THR C C 114 173.575 173.575 172.188 1.387 17879 1304 1 2 . 1 1 115 115 THR CA C 114 61.149 61.149 61.296 -0.147 17879 1305 1 2 . 1 1 115 115 THR CB C 114 69.859 69.859 70.662 -0.803 17879 1306 1 2 . 1 1 115 115 THR H H 114 7.411 7.411 7.575 -0.164 17879 1307 1 2 . 1 1 116 116 PHE N N 115 121.474 121.474 116.863 4.611 17879 1308 1 2 . 1 1 116 116 PHE HA H 115 4.451 4.451 4.682 -0.231 17879 1309 1 2 . 1 1 116 116 PHE C C 115 175.078 175.078 174.489 0.589 17879 1310 1 2 . 1 1 116 116 PHE CA C 115 57.681 57.681 56.599 1.082 17879 1311 1 2 . 1 1 116 116 PHE CB C 115 39.569 39.569 39.360 0.209 17879 1312 1 2 . 1 1 116 116 PHE H H 115 8.021 8.021 7.461 0.560 17879 1313 1 3 . 1 1 2 2 MET N N 1 122.410 122.410 120.065 2.345 17879 1314 1 3 . 1 1 2 2 MET HA H 1 4.455 4.455 4.483 -0.028 17879 1315 1 3 . 1 1 2 2 MET C C 1 175.655 175.655 175.749 -0.094 17879 1316 1 3 . 1 1 2 2 MET CA C 1 55.438 55.438 56.635 -1.197 17879 1317 1 3 . 1 1 2 2 MET CB C 1 33.126 33.126 33.838 -0.712 17879 1318 1 3 . 1 1 2 2 MET H H 1 8.425 8.425 8.232 0.193 17879 1319 1 3 . 1 1 3 3 LYS N N 2 123.656 123.656 119.376 4.280 17879 1320 1 3 . 1 1 3 3 LYS HA H 2 4.326 4.326 4.505 -0.179 17879 1321 1 3 . 1 1 3 3 LYS C C 2 176.266 176.266 176.834 -0.568 17879 1322 1 3 . 1 1 3 3 LYS CA C 2 56.348 56.348 56.094 0.254 17879 1323 1 3 . 1 1 3 3 LYS CB C 2 33.219 33.219 34.043 -0.824 17879 1324 1 3 . 1 1 3 3 LYS H H 2 8.512 8.512 8.350 0.162 17879 1325 1 3 . 1 1 4 4 SER N N 3 118.350 118.350 114.750 3.600 17879 1326 1 3 . 1 1 4 4 SER HA H 3 4.631 4.631 4.485 0.146 17879 1327 1 3 . 1 1 4 4 SER C C 3 175.421 175.421 174.782 0.639 17879 1328 1 3 . 1 1 4 4 SER CA C 3 57.629 57.629 59.312 -1.683 17879 1329 1 3 . 1 1 4 4 SER CB C 3 64.079 64.079 63.811 0.268 17879 1330 1 3 . 1 1 4 4 SER H H 3 8.426 8.426 8.115 0.311 17879 1331 1 3 . 1 1 5 5 THR N N 4 127.775 127.775 112.209 15.566 17879 1332 1 3 . 1 1 5 5 THR HA H 4 4.482 4.482 4.458 0.024 17879 1333 1 3 . 1 1 5 5 THR C C 4 174.680 174.680 174.966 -0.286 17879 1334 1 3 . 1 1 5 5 THR CA C 4 62.001 62.001 63.103 -1.102 17879 1335 1 3 . 1 1 5 5 THR CB C 4 70.137 70.137 69.420 0.717 17879 1336 1 3 . 1 1 5 5 THR H H 4 9.971 9.971 8.363 1.608 17879 1337 1 3 . 1 1 6 6 PHE N N 5 123.021 123.021 121.344 1.677 17879 1338 1 3 . 1 1 6 6 PHE HA H 5 4.125 4.125 4.325 -0.200 17879 1339 1 3 . 1 1 6 6 PHE C C 5 177.064 177.064 175.731 1.333 17879 1340 1 3 . 1 1 6 6 PHE CA C 5 63.041 63.041 60.799 2.242 17879 1341 1 3 . 1 1 6 6 PHE CB C 5 40.828 40.828 39.150 1.678 17879 1342 1 3 . 1 1 6 6 PHE H H 5 8.863 8.863 8.674 0.189 17879 1343 1 3 . 1 1 7 7 LYS N N 6 114.006 114.006 118.570 -4.564 17879 1344 1 3 . 1 1 7 7 LYS HA H 6 3.916 3.916 3.627 0.289 17879 1345 1 3 . 1 1 7 7 LYS C C 6 177.535 177.535 176.818 0.717 17879 1346 1 3 . 1 1 7 7 LYS CA C 6 60.026 60.026 58.057 1.969 17879 1347 1 3 . 1 1 7 7 LYS CB C 6 33.611 33.611 32.884 0.727 17879 1348 1 3 . 1 1 7 7 LYS H H 6 8.661 8.661 8.386 0.275 17879 1349 1 3 . 1 1 8 8 SER N N 7 111.149 111.149 113.143 -1.994 17879 1350 1 3 . 1 1 8 8 SER HA H 7 4.275 4.275 4.133 0.142 17879 1351 1 3 . 1 1 8 8 SER C C 7 175.689 175.689 176.021 -0.332 17879 1352 1 3 . 1 1 8 8 SER CA C 7 60.007 60.007 60.397 -0.390 17879 1353 1 3 . 1 1 8 8 SER CB C 7 63.759 63.759 62.813 0.946 17879 1354 1 3 . 1 1 8 8 SER H H 7 7.552 7.552 7.911 -0.359 17879 1355 1 3 . 1 1 9 9 GLU N N 8 122.296 122.296 121.785 0.511 17879 1356 1 3 . 1 1 9 9 GLU HA H 8 3.818 3.818 4.041 -0.223 17879 1357 1 3 . 1 1 9 9 GLU C C 8 176.068 176.068 177.048 -0.980 17879 1358 1 3 . 1 1 9 9 GLU CA C 8 58.137 58.137 58.634 -0.497 17879 1359 1 3 . 1 1 9 9 GLU CB C 8 30.965 30.965 29.918 1.047 17879 1360 1 3 . 1 1 9 9 GLU H H 8 7.924 7.924 7.639 0.285 17879 1361 1 3 . 1 1 10 10 TYR N N 9 115.131 115.131 112.316 2.815 17879 1362 1 3 . 1 1 10 10 TYR HA H 9 5.066 5.066 4.920 0.146 17879 1363 1 3 . 1 1 10 10 TYR CA C 9 53.958 53.958 53.460 0.498 17879 1364 1 3 . 1 1 10 10 TYR CB C 9 41.055 41.055 37.613 3.442 17879 1365 1 3 . 1 1 10 10 TYR H H 9 7.052 7.052 6.765 0.287 17879 1366 1 3 . 1 1 11 11 PRO HA H 10 4.708 4.708 4.672 0.036 17879 1367 1 3 . 1 1 11 11 PRO C C 10 177.384 177.384 177.439 -0.055 17879 1368 1 3 . 1 1 11 11 PRO CA C 10 62.279 62.279 62.196 0.083 17879 1369 1 3 . 1 1 11 11 PRO CB C 10 33.087 33.087 32.893 0.194 17879 1370 1 3 . 1 1 12 12 PHE N N 11 125.307 125.307 122.177 3.130 17879 1371 1 3 . 1 1 12 12 PHE HA H 11 3.883 3.883 4.194 -0.311 17879 1372 1 3 . 1 1 12 12 PHE C C 11 176.157 176.157 177.193 -1.036 17879 1373 1 3 . 1 1 12 12 PHE CA C 11 63.156 63.156 62.757 0.399 17879 1374 1 3 . 1 1 12 12 PHE CB C 11 39.935 39.935 39.213 0.722 17879 1375 1 3 . 1 1 12 12 PHE H H 11 9.385 9.385 8.774 0.611 17879 1376 1 3 . 1 1 13 13 GLU N N 12 115.356 115.356 117.925 -2.569 17879 1377 1 3 . 1 1 13 13 GLU HA H 12 3.857 3.857 4.098 -0.241 17879 1378 1 3 . 1 1 13 13 GLU C C 12 179.598 179.598 179.109 0.489 17879 1379 1 3 . 1 1 13 13 GLU CA C 12 60.317 60.317 60.175 0.142 17879 1380 1 3 . 1 1 13 13 GLU CB C 12 28.642 28.642 29.026 -0.384 17879 1381 1 3 . 1 1 13 13 GLU H H 12 9.800 9.800 9.223 0.577 17879 1382 1 3 . 1 1 14 14 LYS N N 13 118.194 118.194 119.540 -1.346 17879 1383 1 3 . 1 1 14 14 LYS HA H 13 4.246 4.246 4.200 0.046 17879 1384 1 3 . 1 1 14 14 LYS C C 13 178.804 178.804 178.731 0.073 17879 1385 1 3 . 1 1 14 14 LYS CA C 13 58.143 58.143 58.527 -0.384 17879 1386 1 3 . 1 1 14 14 LYS CB C 13 32.770 32.770 32.444 0.326 17879 1387 1 3 . 1 1 14 14 LYS H H 13 7.160 7.160 7.776 -0.616 17879 1388 1 3 . 1 1 15 15 ARG N N 14 120.949 120.949 119.356 1.593 17879 1389 1 3 . 1 1 15 15 ARG HA H 14 3.892 3.892 4.337 -0.445 17879 1390 1 3 . 1 1 15 15 ARG C C 14 176.858 176.858 179.228 -2.370 17879 1391 1 3 . 1 1 15 15 ARG CA C 14 61.520 61.520 59.931 1.589 17879 1392 1 3 . 1 1 15 15 ARG CB C 14 32.840 32.840 30.320 2.520 17879 1393 1 3 . 1 1 15 15 ARG H H 14 7.686 7.686 8.216 -0.530 17879 1394 1 3 . 1 1 16 16 LYS N N 15 119.224 119.224 119.638 -0.414 17879 1395 1 3 . 1 1 16 16 LYS HA H 15 4.449 4.449 4.461 -0.012 17879 1396 1 3 . 1 1 16 16 LYS C C 15 177.796 177.796 178.051 -0.255 17879 1397 1 3 . 1 1 16 16 LYS CA C 15 57.366 57.366 58.631 -1.265 17879 1398 1 3 . 1 1 16 16 LYS CB C 15 32.529 32.529 32.373 0.156 17879 1399 1 3 . 1 1 16 16 LYS H H 15 8.667 8.667 8.336 0.331 17879 1400 1 3 . 1 1 17 17 ALA N N 16 117.777 117.777 122.027 -4.250 17879 1401 1 3 . 1 1 17 17 ALA HA H 16 4.164 4.164 4.097 0.067 17879 1402 1 3 . 1 1 17 17 ALA C C 16 180.641 180.641 179.819 0.822 17879 1403 1 3 . 1 1 17 17 ALA CA C 16 54.627 54.627 54.770 -0.143 17879 1404 1 3 . 1 1 17 17 ALA CB C 16 18.114 18.114 18.060 0.054 17879 1405 1 3 . 1 1 17 17 ALA H H 16 7.305 7.305 7.754 -0.449 17879 1406 1 3 . 1 1 18 18 GLU N N 17 119.934 119.934 119.114 0.820 17879 1407 1 3 . 1 1 18 18 GLU HA H 17 4.695 4.695 4.145 0.550 17879 1408 1 3 . 1 1 18 18 GLU C C 17 178.339 178.339 178.728 -0.389 17879 1409 1 3 . 1 1 18 18 GLU CA C 17 58.173 58.173 58.778 -0.605 17879 1410 1 3 . 1 1 18 18 GLU CB C 17 28.765 28.765 29.654 -0.889 17879 1411 1 3 . 1 1 18 18 GLU H H 17 7.849 7.849 8.558 -0.709 17879 1412 1 3 . 1 1 19 19 SER N N 18 117.685 117.685 115.729 1.956 17879 1413 1 3 . 1 1 19 19 SER HA H 18 3.542 3.542 3.873 -0.331 17879 1414 1 3 . 1 1 19 19 SER C C 18 178.206 178.206 176.872 1.334 17879 1415 1 3 . 1 1 19 19 SER CA C 18 62.108 62.108 60.800 1.308 17879 1416 1 3 . 1 1 19 19 SER CB C 18 59.839 59.839 62.254 -2.415 17879 1417 1 3 . 1 1 19 19 SER H H 18 8.785 8.785 7.951 0.834 17879 1418 1 3 . 1 1 20 20 GLU N N 19 124.346 124.346 120.805 3.541 17879 1419 1 3 . 1 1 20 20 GLU HA H 19 3.988 3.988 4.108 -0.120 17879 1420 1 3 . 1 1 20 20 GLU C C 19 178.788 178.788 177.834 0.954 17879 1421 1 3 . 1 1 20 20 GLU CA C 19 59.701 59.701 58.779 0.922 17879 1422 1 3 . 1 1 20 20 GLU CB C 19 29.318 29.318 29.456 -0.138 17879 1423 1 3 . 1 1 20 20 GLU H H 19 8.052 8.052 7.802 0.250 17879 1424 1 3 . 1 1 21 21 ARG N N 20 122.089 122.089 117.884 4.205 17879 1425 1 3 . 1 1 21 21 ARG HA H 20 4.093 4.093 4.283 -0.190 17879 1426 1 3 . 1 1 21 21 ARG C C 20 179.458 179.458 178.577 0.881 17879 1427 1 3 . 1 1 21 21 ARG CA C 20 59.500 59.500 57.898 1.602 17879 1428 1 3 . 1 1 21 21 ARG CB C 20 30.412 30.412 30.936 -0.524 17879 1429 1 3 . 1 1 21 21 ARG H H 20 7.958 7.958 7.938 0.020 17879 1430 1 3 . 1 1 22 22 ILE N N 21 119.893 119.893 120.029 -0.136 17879 1431 1 3 . 1 1 22 22 ILE HA H 21 3.623 3.623 3.711 -0.088 17879 1432 1 3 . 1 1 22 22 ILE C C 21 176.842 176.842 177.299 -0.457 17879 1433 1 3 . 1 1 22 22 ILE CA C 21 65.145 65.145 64.981 0.164 17879 1434 1 3 . 1 1 22 22 ILE CB C 21 38.195 38.195 37.766 0.429 17879 1435 1 3 . 1 1 22 22 ILE H H 21 8.277 8.277 8.439 -0.162 17879 1436 1 3 . 1 1 23 23 ALA N N 22 121.816 121.816 121.131 0.685 17879 1437 1 3 . 1 1 23 23 ALA HA H 22 4.071 4.071 4.074 -0.003 17879 1438 1 3 . 1 1 23 23 ALA C C 22 179.199 179.199 177.594 1.605 17879 1439 1 3 . 1 1 23 23 ALA CA C 22 54.519 54.519 54.302 0.217 17879 1440 1 3 . 1 1 23 23 ALA CB C 22 18.001 18.001 18.525 -0.524 17879 1441 1 3 . 1 1 23 23 ALA H H 22 7.962 7.962 7.583 0.379 17879 1442 1 3 . 1 1 24 24 ASP N N 23 114.866 114.866 116.584 -1.718 17879 1443 1 3 . 1 1 24 24 ASP HA H 23 4.401 4.401 4.496 -0.095 17879 1444 1 3 . 1 1 24 24 ASP C C 23 177.324 177.324 177.673 -0.349 17879 1445 1 3 . 1 1 24 24 ASP CA C 23 56.248 56.248 55.307 0.941 17879 1446 1 3 . 1 1 24 24 ASP CB C 23 42.193 42.193 41.522 0.671 17879 1447 1 3 . 1 1 24 24 ASP H H 23 7.368 7.368 7.848 -0.480 17879 1448 1 3 . 1 1 25 25 ARG N N 24 116.868 116.868 118.213 -1.345 17879 1449 1 3 . 1 1 25 25 ARG HA H 24 3.922 3.922 3.864 0.058 17879 1450 1 3 . 1 1 25 25 ARG C C 24 176.266 176.266 175.348 0.918 17879 1451 1 3 . 1 1 25 25 ARG CA C 24 57.158 57.158 57.080 0.078 17879 1452 1 3 . 1 1 25 25 ARG CB C 24 31.477 31.477 31.495 -0.018 17879 1453 1 3 . 1 1 25 25 ARG H H 24 7.815 7.815 7.403 0.412 17879 1454 1 3 . 1 1 26 26 PHE N N 25 116.737 116.737 114.648 2.089 17879 1455 1 3 . 1 1 26 26 PHE HA H 25 5.084 5.084 4.916 0.168 17879 1456 1 3 . 1 1 26 26 PHE CA C 25 54.304 54.304 54.812 -0.508 17879 1457 1 3 . 1 1 26 26 PHE CB C 25 39.026 39.026 39.480 -0.454 17879 1458 1 3 . 1 1 26 26 PHE H H 25 8.658 8.658 7.823 0.835 17879 1459 1 3 . 1 1 27 27 PRO HA H 26 4.503 4.503 4.414 0.089 17879 1460 1 3 . 1 1 27 27 PRO C C 26 177.538 177.538 176.265 1.273 17879 1461 1 3 . 1 1 27 27 PRO CA C 26 64.394 64.394 64.409 -0.015 17879 1462 1 3 . 1 1 27 27 PRO CB C 26 31.961 31.961 31.945 0.017 17879 1463 1 3 . 1 1 28 28 ASN N N 27 114.596 114.596 116.082 -1.486 17879 1464 1 3 . 1 1 28 28 ASN HA H 27 4.725 4.725 4.823 -0.098 17879 1465 1 3 . 1 1 28 28 ASN C C 27 174.678 174.678 174.219 0.459 17879 1466 1 3 . 1 1 28 28 ASN CA C 27 52.868 52.868 51.755 1.113 17879 1467 1 3 . 1 1 28 28 ASN CB C 27 38.331 38.331 38.164 0.167 17879 1468 1 3 . 1 1 28 28 ASN H H 27 8.537 8.537 8.396 0.141 17879 1469 1 3 . 1 1 29 29 ARG N N 28 116.946 116.946 119.424 -2.478 17879 1470 1 3 . 1 1 29 29 ARG HA H 28 4.769 4.769 4.615 0.154 17879 1471 1 3 . 1 1 29 29 ARG C C 28 174.469 174.469 174.415 0.054 17879 1472 1 3 . 1 1 29 29 ARG CA C 28 52.948 52.948 54.438 -1.490 17879 1473 1 3 . 1 1 29 29 ARG CB C 28 32.941 32.941 33.631 -0.690 17879 1474 1 3 . 1 1 29 29 ARG H H 28 7.580 7.580 7.498 0.082 17879 1475 1 3 . 1 1 30 30 ILE N N 29 121.854 121.854 120.414 1.440 17879 1476 1 3 . 1 1 30 30 ILE HA H 29 4.098 4.098 4.006 0.092 17879 1477 1 3 . 1 1 30 30 ILE CA C 29 55.558 55.558 57.454 -1.896 17879 1478 1 3 . 1 1 30 30 ILE CB C 29 38.805 38.805 40.184 -1.379 17879 1479 1 3 . 1 1 30 30 ILE H H 29 9.262 9.262 8.577 0.685 17879 1480 1 3 . 1 1 31 31 PRO HA H 30 4.856 4.856 4.632 0.224 17879 1481 1 3 . 1 1 31 31 PRO C C 30 174.121 174.121 176.076 -1.955 17879 1482 1 3 . 1 1 31 31 PRO CA C 30 61.705 61.705 62.475 -0.770 17879 1483 1 3 . 1 1 31 31 PRO CB C 30 30.966 30.966 31.494 -0.528 17879 1484 1 3 . 1 1 32 32 VAL N N 31 127.197 127.197 119.959 7.238 17879 1485 1 3 . 1 1 32 32 VAL HA H 31 4.997 4.997 4.925 0.072 17879 1486 1 3 . 1 1 32 32 VAL C C 31 174.181 174.181 173.803 0.378 17879 1487 1 3 . 1 1 32 32 VAL CA C 31 60.620 60.620 59.582 1.038 17879 1488 1 3 . 1 1 32 32 VAL CB C 31 35.645 35.645 35.991 -0.346 17879 1489 1 3 . 1 1 32 32 VAL H H 31 9.096 9.096 8.966 0.130 17879 1490 1 3 . 1 1 33 33 ILE N N 32 127.157 127.157 120.744 6.413 17879 1491 1 3 . 1 1 33 33 ILE HA H 32 4.917 4.917 4.567 0.350 17879 1492 1 3 . 1 1 33 33 ILE C C 32 174.991 174.991 175.349 -0.358 17879 1493 1 3 . 1 1 33 33 ILE CA C 32 56.589 56.589 59.689 -3.100 17879 1494 1 3 . 1 1 33 33 ILE CB C 32 35.908 35.908 38.618 -2.710 17879 1495 1 3 . 1 1 33 33 ILE H H 32 8.775 8.775 8.573 0.202 17879 1496 1 3 . 1 1 34 34 CYS N N 33 129.280 129.280 128.112 1.168 17879 1497 1 3 . 1 1 34 34 CYS HA H 33 5.559 5.559 4.511 1.048 17879 1498 1 3 . 1 1 34 34 CYS C C 33 173.218 173.218 173.891 -0.673 17879 1499 1 3 . 1 1 34 34 CYS CA C 33 57.121 57.121 60.157 -3.036 17879 1500 1 3 . 1 1 34 34 CYS CB C 33 28.880 28.880 29.043 -0.163 17879 1501 1 3 . 1 1 34 34 CYS H H 33 9.738 9.738 9.325 0.413 17879 1502 1 3 . 1 1 35 35 GLU N N 34 124.130 124.130 126.254 -2.124 17879 1503 1 3 . 1 1 35 35 GLU HA H 34 4.977 4.977 4.663 0.314 17879 1504 1 3 . 1 1 35 35 GLU C C 34 174.190 174.190 174.283 -0.093 17879 1505 1 3 . 1 1 35 35 GLU CA C 34 54.308 54.308 54.838 -0.530 17879 1506 1 3 . 1 1 35 35 GLU CB C 34 35.281 35.281 33.819 1.462 17879 1507 1 3 . 1 1 35 35 GLU H H 34 8.531 8.531 7.889 0.642 17879 1508 1 3 . 1 1 36 36 LYS N N 35 123.562 123.562 122.403 1.159 17879 1509 1 3 . 1 1 36 36 LYS HA H 35 3.056 3.056 4.145 -1.089 17879 1510 1 3 . 1 1 36 36 LYS C C 35 177.452 177.452 175.937 1.515 17879 1511 1 3 . 1 1 36 36 LYS CA C 35 56.374 56.374 53.875 2.499 17879 1512 1 3 . 1 1 36 36 LYS CB C 35 32.750 32.750 33.188 -0.438 17879 1513 1 3 . 1 1 36 36 LYS H H 35 8.949 8.949 8.487 0.462 17879 1514 1 3 . 1 1 37 37 ALA N N 36 129.494 129.494 129.207 0.287 17879 1515 1 3 . 1 1 37 37 ALA HA H 36 4.163 4.163 4.058 0.105 17879 1516 1 3 . 1 1 37 37 ALA C C 36 178.375 178.375 177.616 0.759 17879 1517 1 3 . 1 1 37 37 ALA CA C 36 52.702 52.702 53.107 -0.405 17879 1518 1 3 . 1 1 37 37 ALA CB C 36 18.673 18.673 19.496 -0.823 17879 1519 1 3 . 1 1 37 37 ALA H H 36 8.561 8.561 8.015 0.546 17879 1520 1 3 . 1 1 38 38 GLU N N 37 125.115 125.115 120.845 4.270 17879 1521 1 3 . 1 1 38 38 GLU HA H 37 3.959 3.959 4.208 -0.249 17879 1522 1 3 . 1 1 38 38 GLU C C 37 177.516 177.516 177.973 -0.457 17879 1523 1 3 . 1 1 38 38 GLU CA C 37 59.302 59.302 57.830 1.472 17879 1524 1 3 . 1 1 38 38 GLU CB C 37 30.154 30.154 30.082 0.072 17879 1525 1 3 . 1 1 38 38 GLU H H 37 8.648 8.648 8.173 0.475 17879 1526 1 3 . 1 1 39 39 LYS N N 38 115.020 115.020 119.153 -4.133 17879 1527 1 3 . 1 1 39 39 LYS HA H 38 4.188 4.188 4.038 0.150 17879 1528 1 3 . 1 1 39 39 LYS C C 38 176.244 176.244 177.300 -1.056 17879 1529 1 3 . 1 1 39 39 LYS CA C 38 56.564 56.564 57.874 -1.310 17879 1530 1 3 . 1 1 39 39 LYS CB C 38 31.484 31.484 32.351 -0.867 17879 1531 1 3 . 1 1 39 39 LYS H H 38 8.494 8.494 7.738 0.756 17879 1532 1 3 . 1 1 40 40 SER N N 39 113.091 113.091 114.240 -1.149 17879 1533 1 3 . 1 1 40 40 SER HA H 39 4.535 4.535 4.457 0.078 17879 1534 1 3 . 1 1 40 40 SER C C 39 174.896 174.896 174.532 0.364 17879 1535 1 3 . 1 1 40 40 SER CA C 39 57.985 57.985 58.193 -0.208 17879 1536 1 3 . 1 1 40 40 SER CB C 39 65.000 65.000 63.916 1.083 17879 1537 1 3 . 1 1 40 40 SER H H 39 7.346 7.346 7.891 -0.545 17879 1538 1 3 . 1 1 41 41 ASP N N 40 127.375 127.375 122.045 5.330 17879 1539 1 3 . 1 1 41 41 ASP HA H 40 4.782 4.782 4.849 -0.067 17879 1540 1 3 . 1 1 41 41 ASP C C 40 175.205 175.205 176.453 -1.248 17879 1541 1 3 . 1 1 41 41 ASP CA C 40 53.549 53.549 54.104 -0.555 17879 1542 1 3 . 1 1 41 41 ASP CB C 40 39.916 39.916 41.178 -1.262 17879 1543 1 3 . 1 1 41 41 ASP H H 40 8.744 8.744 8.446 0.298 17879 1544 1 3 . 1 1 42 42 ILE N N 41 122.943 122.943 118.437 4.506 17879 1545 1 3 . 1 1 42 42 ILE HA H 41 4.661 4.661 4.779 -0.118 17879 1546 1 3 . 1 1 42 42 ILE CA C 41 59.133 59.133 58.358 0.775 17879 1547 1 3 . 1 1 42 42 ILE CB C 41 40.534 40.534 39.453 1.081 17879 1548 1 3 . 1 1 42 42 ILE H H 41 7.649 7.649 8.121 -0.472 17879 1549 1 3 . 1 1 43 43 PRO HA H 42 4.414 4.414 4.516 -0.102 17879 1550 1 3 . 1 1 43 43 PRO C C 42 175.952 175.952 176.433 -0.481 17879 1551 1 3 . 1 1 43 43 PRO CA C 42 63.829 63.829 62.466 1.363 17879 1552 1 3 . 1 1 43 43 PRO CB C 42 32.895 32.895 32.065 0.830 17879 1553 1 3 . 1 1 44 44 GLU N N 43 120.369 120.369 123.033 -2.664 17879 1554 1 3 . 1 1 44 44 GLU HA H 43 4.298 4.298 4.211 0.087 17879 1555 1 3 . 1 1 44 44 GLU C C 43 175.316 175.316 176.746 -1.430 17879 1556 1 3 . 1 1 44 44 GLU CA C 43 56.400 56.400 56.768 -0.368 17879 1557 1 3 . 1 1 44 44 GLU CB C 43 31.282 31.282 30.501 0.781 17879 1558 1 3 . 1 1 44 44 GLU H H 43 8.393 8.393 8.495 -0.102 17879 1559 1 3 . 1 1 45 45 ILE N N 44 123.670 123.670 125.529 -1.859 17879 1560 1 3 . 1 1 45 45 ILE HA H 44 4.419 4.419 4.167 0.252 17879 1561 1 3 . 1 1 45 45 ILE C C 44 174.786 174.786 176.212 -1.426 17879 1562 1 3 . 1 1 45 45 ILE CA C 44 61.027 61.027 61.468 -0.441 17879 1563 1 3 . 1 1 45 45 ILE CB C 44 40.509 40.509 39.449 1.060 17879 1564 1 3 . 1 1 45 45 ILE H H 44 8.067 8.067 8.119 -0.052 17879 1565 1 3 . 1 1 46 46 ASP N N 45 123.340 123.340 121.528 1.812 17879 1566 1 3 . 1 1 46 46 ASP HA H 45 4.412 4.412 4.600 -0.188 17879 1567 1 3 . 1 1 46 46 ASP C C 45 175.494 175.494 175.722 -0.228 17879 1568 1 3 . 1 1 46 46 ASP CA C 45 55.467 55.467 56.328 -0.861 17879 1569 1 3 . 1 1 46 46 ASP CB C 45 40.320 40.320 41.545 -1.225 17879 1570 1 3 . 1 1 46 46 ASP H H 45 8.468 8.468 8.778 -0.310 17879 1571 1 3 . 1 1 47 47 LYS N N 46 121.295 121.295 114.452 6.843 17879 1572 1 3 . 1 1 47 47 LYS HA H 46 4.428 4.428 4.494 -0.066 17879 1573 1 3 . 1 1 47 47 LYS CA C 46 56.020 56.020 54.248 1.772 17879 1574 1 3 . 1 1 47 47 LYS CB C 46 34.644 34.644 35.053 -0.409 17879 1575 1 3 . 1 1 47 47 LYS H H 46 7.319 7.319 7.818 -0.499 17879 1576 1 3 . 1 1 48 48 ARG N N 47 124.949 124.949 120.569 4.380 17879 1577 1 3 . 1 1 48 48 ARG HA H 47 5.271 5.271 4.687 0.584 17879 1578 1 3 . 1 1 48 48 ARG C C 47 173.546 173.546 175.097 -1.551 17879 1579 1 3 . 1 1 48 48 ARG CA C 47 55.581 55.581 55.684 -0.103 17879 1580 1 3 . 1 1 48 48 ARG CB C 47 32.992 32.992 30.555 2.437 17879 1581 1 3 . 1 1 48 48 ARG H H 47 8.558 8.558 8.409 0.149 17879 1582 1 3 . 1 1 49 49 LYS N N 48 122.812 122.812 124.181 -1.369 17879 1583 1 3 . 1 1 49 49 LYS HA H 48 5.030 5.030 4.025 1.005 17879 1584 1 3 . 1 1 49 49 LYS C C 48 174.301 174.301 174.366 -0.065 17879 1585 1 3 . 1 1 49 49 LYS CA C 48 55.042 55.042 55.828 -0.786 17879 1586 1 3 . 1 1 49 49 LYS CB C 48 34.065 34.065 33.002 1.063 17879 1587 1 3 . 1 1 49 49 LYS H H 48 7.440 7.440 8.154 -0.714 17879 1588 1 3 . 1 1 50 50 TYR N N 49 124.842 124.842 125.594 -0.752 17879 1589 1 3 . 1 1 50 50 TYR HA H 49 4.721 4.721 4.504 0.217 17879 1590 1 3 . 1 1 50 50 TYR C C 49 173.674 173.674 173.978 -0.304 17879 1591 1 3 . 1 1 50 50 TYR CA C 49 57.192 57.192 57.245 -0.053 17879 1592 1 3 . 1 1 50 50 TYR CB C 49 43.123 43.123 42.127 0.996 17879 1593 1 3 . 1 1 50 50 TYR H H 49 9.590 9.590 8.967 0.623 17879 1594 1 3 . 1 1 51 51 LEU N N 50 124.138 124.138 127.981 -3.843 17879 1595 1 3 . 1 1 51 51 LEU HA H 50 4.753 4.753 4.740 0.013 17879 1596 1 3 . 1 1 51 51 LEU C C 50 176.050 176.050 175.274 0.776 17879 1597 1 3 . 1 1 51 51 LEU CA C 50 53.158 53.158 52.780 0.378 17879 1598 1 3 . 1 1 51 51 LEU CB C 50 41.155 41.155 41.775 -0.620 17879 1599 1 3 . 1 1 51 51 LEU H H 50 8.901 8.901 8.584 0.317 17879 1600 1 3 . 1 1 52 52 VAL N N 51 123.181 123.181 119.795 3.386 17879 1601 1 3 . 1 1 52 52 VAL HA H 51 3.948 3.948 4.341 -0.393 17879 1602 1 3 . 1 1 52 52 VAL CA C 51 59.724 59.724 59.192 0.532 17879 1603 1 3 . 1 1 52 52 VAL CB C 51 33.605 33.605 31.458 2.147 17879 1604 1 3 . 1 1 52 52 VAL H H 51 8.513 8.513 7.316 1.197 17879 1605 1 3 . 1 1 53 53 PRO HA H 52 4.305 4.305 4.323 -0.018 17879 1606 1 3 . 1 1 53 53 PRO C C 52 176.607 176.607 175.957 0.650 17879 1607 1 3 . 1 1 53 53 PRO CA C 52 63.950 63.950 61.891 2.059 17879 1608 1 3 . 1 1 53 53 PRO CB C 52 32.163 32.163 32.341 -0.178 17879 1609 1 3 . 1 1 54 54 ALA N N 53 123.771 123.771 120.259 3.512 17879 1610 1 3 . 1 1 54 54 ALA HA H 53 3.720 3.720 4.162 -0.442 17879 1611 1 3 . 1 1 54 54 ALA C C 53 176.409 176.409 176.650 -0.241 17879 1612 1 3 . 1 1 54 54 ALA CA C 53 54.742 54.742 52.702 2.040 17879 1613 1 3 . 1 1 54 54 ALA CB C 53 18.948 18.948 19.375 -0.427 17879 1614 1 3 . 1 1 54 54 ALA H H 53 7.926 7.926 8.485 -0.559 17879 1615 1 3 . 1 1 55 55 ASP N N 54 111.152 111.152 117.705 -6.553 17879 1616 1 3 . 1 1 55 55 ASP HA H 54 4.621 4.621 4.592 0.029 17879 1617 1 3 . 1 1 55 55 ASP C C 54 175.823 175.823 176.380 -0.557 17879 1618 1 3 . 1 1 55 55 ASP CA C 54 52.744 52.744 54.383 -1.639 17879 1619 1 3 . 1 1 55 55 ASP CB C 54 39.861 39.861 41.292 -1.431 17879 1620 1 3 . 1 1 55 55 ASP H H 54 8.106 8.106 7.993 0.113 17879 1621 1 3 . 1 1 56 56 LEU N N 55 121.263 121.263 122.193 -0.930 17879 1622 1 3 . 1 1 56 56 LEU HA H 55 4.351 4.351 4.300 0.051 17879 1623 1 3 . 1 1 56 56 LEU C C 55 177.459 177.459 176.690 0.769 17879 1624 1 3 . 1 1 56 56 LEU CA C 55 55.472 55.472 55.280 0.192 17879 1625 1 3 . 1 1 56 56 LEU CB C 55 43.593 43.593 43.174 0.419 17879 1626 1 3 . 1 1 56 56 LEU H H 55 7.295 7.295 7.720 -0.425 17879 1627 1 3 . 1 1 57 57 THR N N 56 114.222 114.222 115.815 -1.593 17879 1628 1 3 . 1 1 57 57 THR HA H 56 5.233 5.233 4.472 0.761 17879 1629 1 3 . 1 1 57 57 THR C C 56 176.538 176.538 175.695 0.843 17879 1630 1 3 . 1 1 57 57 THR CA C 56 60.318 60.318 60.902 -0.584 17879 1631 1 3 . 1 1 57 57 THR CB C 56 71.303 71.303 70.315 0.988 17879 1632 1 3 . 1 1 57 57 THR H H 56 8.476 8.476 8.165 0.311 17879 1633 1 3 . 1 1 58 58 VAL N N 57 122.331 122.331 120.117 2.214 17879 1634 1 3 . 1 1 58 58 VAL HA H 57 3.738 3.738 4.057 -0.319 17879 1635 1 3 . 1 1 58 58 VAL C C 57 178.743 178.743 177.765 0.978 17879 1636 1 3 . 1 1 58 58 VAL CA C 57 66.797 66.797 65.683 1.114 17879 1637 1 3 . 1 1 58 58 VAL CB C 57 31.801 31.801 31.950 -0.149 17879 1638 1 3 . 1 1 58 58 VAL H H 57 8.806 8.806 8.086 0.720 17879 1639 1 3 . 1 1 59 59 GLY N N 58 105.470 105.470 105.067 0.403 17879 1640 1 3 . 1 1 59 59 GLY C C 58 176.924 176.924 175.265 1.659 17879 1641 1 3 . 1 1 59 59 GLY CA C 58 47.317 47.317 46.369 0.948 17879 1642 1 3 . 1 1 59 59 GLY H H 58 9.381 9.381 7.753 1.628 17879 1643 1 3 . 1 1 60 60 GLN N N 59 121.492 121.492 117.768 3.724 17879 1644 1 3 . 1 1 60 60 GLN HA H 59 4.166 4.166 4.526 -0.360 17879 1645 1 3 . 1 1 60 60 GLN C C 59 178.605 178.605 176.756 1.849 17879 1646 1 3 . 1 1 60 60 GLN CA C 59 58.764 58.764 57.286 1.478 17879 1647 1 3 . 1 1 60 60 GLN CB C 59 29.129 29.129 29.523 -0.394 17879 1648 1 3 . 1 1 60 60 GLN H H 59 8.027 8.027 7.677 0.350 17879 1649 1 3 . 1 1 61 61 PHE N N 60 122.595 122.595 121.099 1.496 17879 1650 1 3 . 1 1 61 61 PHE HA H 60 4.291 4.291 4.424 -0.133 17879 1651 1 3 . 1 1 61 61 PHE C C 60 176.690 176.690 176.677 0.013 17879 1652 1 3 . 1 1 61 61 PHE CA C 60 61.502 61.502 58.330 3.172 17879 1653 1 3 . 1 1 61 61 PHE CB C 60 39.155 39.155 39.476 -0.321 17879 1654 1 3 . 1 1 61 61 PHE H H 60 8.522 8.522 7.519 1.003 17879 1655 1 3 . 1 1 62 62 VAL N N 61 118.720 118.720 118.981 -0.261 17879 1656 1 3 . 1 1 62 62 VAL HA H 61 3.070 3.070 3.177 -0.107 17879 1657 1 3 . 1 1 62 62 VAL C C 61 176.872 176.872 177.222 -0.350 17879 1658 1 3 . 1 1 62 62 VAL CA C 61 67.040 67.040 66.480 0.560 17879 1659 1 3 . 1 1 62 62 VAL CB C 61 31.119 31.119 31.225 -0.106 17879 1660 1 3 . 1 1 62 62 VAL H H 61 8.705 8.705 7.674 1.031 17879 1661 1 3 . 1 1 63 63 TYR N N 62 118.462 118.462 118.885 -0.423 17879 1662 1 3 . 1 1 63 63 TYR HA H 62 3.987 3.987 4.153 -0.166 17879 1663 1 3 . 1 1 63 63 TYR C C 62 177.325 177.325 175.861 1.464 17879 1664 1 3 . 1 1 63 63 TYR CA C 62 61.685 61.685 60.167 1.518 17879 1665 1 3 . 1 1 63 63 TYR CB C 62 37.906 37.906 37.792 0.114 17879 1666 1 3 . 1 1 63 63 TYR H H 62 7.373 7.373 8.095 -0.722 17879 1667 1 3 . 1 1 64 64 VAL N N 63 119.137 119.137 117.470 1.667 17879 1668 1 3 . 1 1 64 64 VAL HA H 63 3.342 3.342 3.288 0.054 17879 1669 1 3 . 1 1 64 64 VAL C C 63 178.326 178.326 177.642 0.684 17879 1670 1 3 . 1 1 64 64 VAL CA C 63 66.615 66.615 65.197 1.418 17879 1671 1 3 . 1 1 64 64 VAL CB C 63 31.157 31.157 32.331 -1.174 17879 1672 1 3 . 1 1 64 64 VAL H H 63 7.376 7.376 7.701 -0.325 17879 1673 1 3 . 1 1 65 65 ILE N N 64 118.858 118.858 119.220 -0.362 17879 1674 1 3 . 1 1 65 65 ILE HA H 64 3.279 3.279 3.524 -0.245 17879 1675 1 3 . 1 1 65 65 ILE C C 64 177.653 177.653 177.962 -0.309 17879 1676 1 3 . 1 1 65 65 ILE CA C 64 63.682 63.682 61.997 1.685 17879 1677 1 3 . 1 1 65 65 ILE CB C 64 36.150 36.150 35.574 0.576 17879 1678 1 3 . 1 1 65 65 ILE H H 64 7.366 7.366 7.678 -0.312 17879 1679 1 3 . 1 1 66 66 ARG N N 65 118.729 118.729 118.342 0.387 17879 1680 1 3 . 1 1 66 66 ARG HA H 65 3.397 3.397 4.071 -0.674 17879 1681 1 3 . 1 1 66 66 ARG C C 65 178.284 178.284 177.535 0.749 17879 1682 1 3 . 1 1 66 66 ARG CA C 65 60.078 60.078 57.313 2.765 17879 1683 1 3 . 1 1 66 66 ARG CB C 65 30.022 30.022 29.948 0.074 17879 1684 1 3 . 1 1 66 66 ARG H H 65 8.463 8.463 8.342 0.121 17879 1685 1 3 . 1 1 67 67 LYS N N 66 116.643 116.643 119.178 -2.535 17879 1686 1 3 . 1 1 67 67 LYS HA H 66 3.951 3.951 4.174 -0.223 17879 1687 1 3 . 1 1 67 67 LYS C C 66 178.989 178.989 178.303 0.686 17879 1688 1 3 . 1 1 67 67 LYS CA C 66 58.347 58.347 58.549 -0.202 17879 1689 1 3 . 1 1 67 67 LYS CB C 66 31.938 31.938 32.639 -0.701 17879 1690 1 3 . 1 1 67 67 LYS H H 66 7.536 7.536 7.977 -0.441 17879 1691 1 3 . 1 1 68 68 ARG N N 67 119.051 119.051 119.675 -0.624 17879 1692 1 3 . 1 1 68 68 ARG HA H 67 4.104 4.104 4.079 0.025 17879 1693 1 3 . 1 1 68 68 ARG C C 67 178.122 178.122 178.491 -0.369 17879 1694 1 3 . 1 1 68 68 ARG CA C 67 58.182 58.182 58.841 -0.659 17879 1695 1 3 . 1 1 68 68 ARG CB C 67 30.273 30.273 30.333 -0.060 17879 1696 1 3 . 1 1 68 68 ARG H H 67 7.783 7.783 7.827 -0.044 17879 1697 1 3 . 1 1 69 69 ILE N N 68 112.456 112.456 113.199 -0.743 17879 1698 1 3 . 1 1 69 69 ILE HA H 68 4.223 4.223 4.013 0.210 17879 1699 1 3 . 1 1 69 69 ILE C C 68 174.568 174.568 175.436 -0.868 17879 1700 1 3 . 1 1 69 69 ILE CA C 68 61.502 61.502 61.582 -0.080 17879 1701 1 3 . 1 1 69 69 ILE CB C 68 38.643 38.643 37.861 0.782 17879 1702 1 3 . 1 1 69 69 ILE H H 68 7.675 7.675 7.197 0.478 17879 1703 1 3 . 1 1 70 70 MET N N 69 118.509 118.509 112.956 5.553 17879 1704 1 3 . 1 1 70 70 MET HA H 69 3.982 3.982 4.154 -0.172 17879 1705 1 3 . 1 1 70 70 MET C C 69 175.482 175.482 174.887 0.595 17879 1706 1 3 . 1 1 70 70 MET CA C 69 55.811 55.811 55.669 0.142 17879 1707 1 3 . 1 1 70 70 MET CB C 69 29.392 29.392 30.156 -0.764 17879 1708 1 3 . 1 1 70 70 MET H H 69 7.805 7.805 7.463 0.342 17879 1709 1 3 . 1 1 71 71 LEU N N 70 121.952 121.952 120.970 0.982 17879 1710 1 3 . 1 1 71 71 LEU HA H 70 4.603 4.603 4.266 0.337 17879 1711 1 3 . 1 1 71 71 LEU CA C 70 52.560 52.560 54.484 -1.924 17879 1712 1 3 . 1 1 71 71 LEU CB C 70 44.045 44.045 41.712 2.333 17879 1713 1 3 . 1 1 71 71 LEU H H 70 7.493 7.493 7.606 -0.113 17879 1714 1 3 . 1 1 72 72 PRO HA H 71 4.678 4.678 4.808 -0.130 17879 1715 1 3 . 1 1 72 72 PRO CA C 71 62.124 62.124 61.006 1.118 17879 1716 1 3 . 1 1 72 72 PRO CB C 71 31.307 31.307 31.103 0.204 17879 1717 1 3 . 1 1 73 73 PRO HA H 72 4.123 4.123 4.373 -0.250 17879 1718 1 3 . 1 1 73 73 PRO C C 72 177.052 177.052 176.577 0.475 17879 1719 1 3 . 1 1 73 73 PRO CA C 72 64.924 64.924 64.251 0.673 17879 1720 1 3 . 1 1 73 73 PRO CB C 72 32.049 32.049 32.109 -0.060 17879 1721 1 3 . 1 1 74 74 GLU N N 73 115.091 115.091 115.995 -0.904 17879 1722 1 3 . 1 1 74 74 GLU HA H 73 4.181 4.181 4.344 -0.163 17879 1723 1 3 . 1 1 74 74 GLU C C 73 176.459 176.459 176.510 -0.051 17879 1724 1 3 . 1 1 74 74 GLU CA C 73 57.774 57.774 56.229 1.545 17879 1725 1 3 . 1 1 74 74 GLU CB C 73 28.321 28.321 29.281 -0.960 17879 1726 1 3 . 1 1 74 74 GLU H H 73 9.065 9.065 8.512 0.553 17879 1727 1 3 . 1 1 75 75 LYS N N 74 121.755 121.755 119.386 2.369 17879 1728 1 3 . 1 1 75 75 LYS HA H 74 4.520 4.520 4.589 -0.069 17879 1729 1 3 . 1 1 75 75 LYS C C 74 174.789 174.789 174.474 0.315 17879 1730 1 3 . 1 1 75 75 LYS CA C 74 54.789 54.789 54.809 -0.021 17879 1731 1 3 . 1 1 75 75 LYS CB C 74 32.882 32.882 35.918 -3.036 17879 1732 1 3 . 1 1 75 75 LYS H H 74 7.797 7.797 7.490 0.307 17879 1733 1 3 . 1 1 76 76 ALA N N 75 127.848 127.848 120.574 7.274 17879 1734 1 3 . 1 1 76 76 ALA HA H 75 4.072 4.072 4.530 -0.458 17879 1735 1 3 . 1 1 76 76 ALA C C 75 175.710 175.710 175.043 0.667 17879 1736 1 3 . 1 1 76 76 ALA CA C 75 52.226 52.226 51.027 1.199 17879 1737 1 3 . 1 1 76 76 ALA CB C 75 20.956 20.956 21.378 -0.422 17879 1738 1 3 . 1 1 76 76 ALA H H 75 8.410 8.410 8.280 0.130 17879 1739 1 3 . 1 1 77 77 ILE N N 76 114.298 114.298 118.891 -4.593 17879 1740 1 3 . 1 1 77 77 ILE HA H 76 4.593 4.593 4.520 0.073 17879 1741 1 3 . 1 1 77 77 ILE C C 76 172.379 172.379 173.365 -0.986 17879 1742 1 3 . 1 1 77 77 ILE CA C 76 59.699 59.699 61.285 -1.586 17879 1743 1 3 . 1 1 77 77 ILE CB C 76 41.218 41.218 41.053 0.165 17879 1744 1 3 . 1 1 77 77 ILE H H 76 7.193 7.193 7.625 -0.432 17879 1745 1 3 . 1 1 78 78 PHE N N 77 124.094 124.094 125.573 -1.479 17879 1746 1 3 . 1 1 78 78 PHE HA H 77 4.556 4.556 4.817 -0.261 17879 1747 1 3 . 1 1 78 78 PHE C C 77 174.359 174.359 174.463 -0.104 17879 1748 1 3 . 1 1 78 78 PHE CA C 77 56.596 56.596 56.180 0.416 17879 1749 1 3 . 1 1 78 78 PHE CB C 77 42.370 42.370 42.245 0.125 17879 1750 1 3 . 1 1 78 78 PHE H H 77 8.931 8.931 9.235 -0.304 17879 1751 1 3 . 1 1 79 79 ILE N N 78 117.724 117.724 122.306 -4.582 17879 1752 1 3 . 1 1 79 79 ILE HA H 78 5.233 5.233 4.312 0.921 17879 1753 1 3 . 1 1 79 79 ILE C C 78 173.334 173.334 174.652 -1.318 17879 1754 1 3 . 1 1 79 79 ILE CA C 78 58.130 58.130 60.313 -2.183 17879 1755 1 3 . 1 1 79 79 ILE CB C 78 39.360 39.360 37.369 1.991 17879 1756 1 3 . 1 1 79 79 ILE H H 78 8.025 8.025 8.810 -0.785 17879 1757 1 3 . 1 1 80 80 PHE N N 79 121.084 121.084 127.328 -6.244 17879 1758 1 3 . 1 1 80 80 PHE HA H 79 5.365 5.365 4.941 0.424 17879 1759 1 3 . 1 1 80 80 PHE C C 79 176.270 176.270 174.316 1.954 17879 1760 1 3 . 1 1 80 80 PHE CA C 79 55.948 55.948 56.633 -0.684 17879 1761 1 3 . 1 1 80 80 PHE CB C 79 42.763 42.763 41.409 1.354 17879 1762 1 3 . 1 1 80 80 PHE H H 79 9.210 9.210 8.999 0.211 17879 1763 1 3 . 1 1 81 81 VAL N N 80 117.974 117.974 124.206 -6.232 17879 1764 1 3 . 1 1 81 81 VAL HA H 80 4.520 4.520 4.551 -0.031 17879 1765 1 3 . 1 1 81 81 VAL C C 80 175.699 175.699 175.102 0.597 17879 1766 1 3 . 1 1 81 81 VAL CA C 80 60.484 60.484 61.008 -0.524 17879 1767 1 3 . 1 1 81 81 VAL CB C 80 34.263 34.263 32.896 1.367 17879 1768 1 3 . 1 1 81 81 VAL H H 80 8.832 8.832 8.151 0.681 17879 1769 1 3 . 1 1 82 82 ASN N N 81 127.615 127.615 126.984 0.631 17879 1770 1 3 . 1 1 82 82 ASN HA H 81 4.339 4.339 4.450 -0.111 17879 1771 1 3 . 1 1 82 82 ASN C C 81 174.036 174.036 174.499 -0.463 17879 1772 1 3 . 1 1 82 82 ASN CA C 81 55.231 55.231 54.195 1.036 17879 1773 1 3 . 1 1 82 82 ASN CB C 81 37.408 37.408 36.858 0.550 17879 1774 1 3 . 1 1 82 82 ASN H H 81 9.689 9.689 9.342 0.347 17879 1775 1 3 . 1 1 83 83 ASP N N 82 112.699 112.699 110.231 2.468 17879 1776 1 3 . 1 1 83 83 ASP HA H 82 4.135 4.135 4.212 -0.077 17879 1777 1 3 . 1 1 83 83 ASP C C 82 174.560 174.560 175.014 -0.454 17879 1778 1 3 . 1 1 83 83 ASP CA C 82 55.638 55.638 55.840 -0.202 17879 1779 1 3 . 1 1 83 83 ASP CB C 82 39.564 39.564 39.710 -0.146 17879 1780 1 3 . 1 1 83 83 ASP H H 82 8.772 8.772 8.732 0.040 17879 1781 1 3 . 1 1 84 84 THR N N 83 112.567 112.567 115.645 -3.078 17879 1782 1 3 . 1 1 84 84 THR HA H 83 4.715 4.715 4.638 0.077 17879 1783 1 3 . 1 1 84 84 THR C C 83 172.200 172.200 173.484 -1.284 17879 1784 1 3 . 1 1 84 84 THR CA C 83 60.868 60.868 61.550 -0.682 17879 1785 1 3 . 1 1 84 84 THR CB C 83 72.206 72.206 70.291 1.915 17879 1786 1 3 . 1 1 84 84 THR H H 83 8.080 8.080 7.369 0.711 17879 1787 1 3 . 1 1 85 85 LEU N N 84 125.810 125.810 130.899 -5.089 17879 1788 1 3 . 1 1 85 85 LEU HA H 84 5.127 5.127 4.694 0.433 17879 1789 1 3 . 1 1 85 85 LEU CA C 84 51.927 51.927 52.809 -0.882 17879 1790 1 3 . 1 1 85 85 LEU CB C 84 42.779 42.779 42.132 0.647 17879 1791 1 3 . 1 1 85 85 LEU H H 84 8.520 8.520 8.747 -0.227 17879 1792 1 3 . 1 1 86 86 PRO HA H 85 4.835 4.835 4.741 0.094 17879 1793 1 3 . 1 1 86 86 PRO CA C 85 60.910 60.910 61.213 -0.303 17879 1794 1 3 . 1 1 86 86 PRO CB C 85 30.852 30.852 31.372 -0.520 17879 1795 1 3 . 1 1 87 87 PRO HA H 86 4.577 4.577 4.507 0.070 17879 1796 1 3 . 1 1 87 87 PRO C C 86 177.830 177.830 176.707 1.123 17879 1797 1 3 . 1 1 87 87 PRO CA C 86 62.424 62.424 62.435 -0.011 17879 1798 1 3 . 1 1 87 87 PRO CB C 86 31.910 31.910 32.365 -0.455 17879 1799 1 3 . 1 1 88 88 THR N N 87 114.642 114.642 107.635 7.007 17879 1800 1 3 . 1 1 88 88 THR HA H 87 3.802 3.802 4.280 -0.478 17879 1801 1 3 . 1 1 88 88 THR C C 87 175.702 175.702 176.210 -0.508 17879 1802 1 3 . 1 1 88 88 THR CA C 87 65.079 65.079 64.068 1.011 17879 1803 1 3 . 1 1 88 88 THR CB C 87 68.818 68.818 69.072 -0.254 17879 1804 1 3 . 1 1 88 88 THR H H 87 8.291 8.291 8.053 0.238 17879 1805 1 3 . 1 1 89 89 ALA N N 88 119.706 119.706 123.106 -3.400 17879 1806 1 3 . 1 1 89 89 ALA HA H 88 4.420 4.420 4.328 0.092 17879 1807 1 3 . 1 1 89 89 ALA C C 88 177.690 177.690 178.049 -0.359 17879 1808 1 3 . 1 1 89 89 ALA CA C 88 52.118 52.118 52.187 -0.069 17879 1809 1 3 . 1 1 89 89 ALA CB C 88 19.334 19.334 17.531 1.803 17879 1810 1 3 . 1 1 89 89 ALA H H 88 8.031 8.031 8.114 -0.083 17879 1811 1 3 . 1 1 90 90 ALA N N 89 120.388 120.388 122.235 -1.847 17879 1812 1 3 . 1 1 90 90 ALA HA H 89 4.179 4.179 4.313 -0.134 17879 1813 1 3 . 1 1 90 90 ALA C C 89 176.520 176.520 176.431 0.089 17879 1814 1 3 . 1 1 90 90 ALA CA C 89 52.454 52.454 50.842 1.612 17879 1815 1 3 . 1 1 90 90 ALA CB C 89 19.301 19.301 17.089 2.212 17879 1816 1 3 . 1 1 90 90 ALA H H 89 7.465 7.465 8.098 -0.633 17879 1817 1 3 . 1 1 91 91 LEU N N 90 119.307 119.307 122.144 -2.837 17879 1818 1 3 . 1 1 91 91 LEU HA H 90 4.490 4.490 4.005 0.485 17879 1819 1 3 . 1 1 91 91 LEU C C 90 179.555 179.555 178.155 1.400 17879 1820 1 3 . 1 1 91 91 LEU CA C 90 54.578 54.578 56.118 -1.540 17879 1821 1 3 . 1 1 91 91 LEU CB C 90 42.689 42.689 41.835 0.854 17879 1822 1 3 . 1 1 91 91 LEU H H 90 8.458 8.458 8.068 0.390 17879 1823 1 3 . 1 1 92 92 MET N N 91 121.586 121.586 125.068 -3.482 17879 1824 1 3 . 1 1 92 92 MET HA H 91 4.231 4.231 4.055 0.176 17879 1825 1 3 . 1 1 92 92 MET C C 91 178.860 178.860 178.504 0.356 17879 1826 1 3 . 1 1 92 92 MET CA C 91 56.938 56.938 58.260 -1.322 17879 1827 1 3 . 1 1 92 92 MET CB C 91 29.372 29.372 31.183 -1.811 17879 1828 1 3 . 1 1 92 92 MET H H 91 9.203 9.203 8.311 0.892 17879 1829 1 3 . 1 1 93 93 SER N N 92 112.826 112.826 115.344 -2.518 17879 1830 1 3 . 1 1 93 93 SER HA H 92 3.978 3.978 4.185 -0.207 17879 1831 1 3 . 1 1 93 93 SER C C 92 176.318 176.318 175.945 0.373 17879 1832 1 3 . 1 1 93 93 SER CA C 92 60.871 60.871 60.910 -0.039 17879 1833 1 3 . 1 1 93 93 SER CB C 92 61.575 61.575 62.955 -1.380 17879 1834 1 3 . 1 1 93 93 SER H H 92 8.717 8.717 8.461 0.256 17879 1835 1 3 . 1 1 94 94 ALA N N 93 126.735 126.735 123.179 3.556 17879 1836 1 3 . 1 1 94 94 ALA HA H 93 4.357 4.357 4.310 0.047 17879 1837 1 3 . 1 1 94 94 ALA C C 93 180.789 180.789 178.682 2.107 17879 1838 1 3 . 1 1 94 94 ALA CA C 93 54.841 54.841 53.915 0.926 17879 1839 1 3 . 1 1 94 94 ALA CB C 93 18.603 18.603 18.955 -0.352 17879 1840 1 3 . 1 1 94 94 ALA H H 93 7.058 7.058 8.146 -1.088 17879 1841 1 3 . 1 1 95 95 ILE N N 94 118.720 118.720 118.791 -0.071 17879 1842 1 3 . 1 1 95 95 ILE HA H 94 4.063 4.063 3.916 0.147 17879 1843 1 3 . 1 1 95 95 ILE C C 94 178.326 178.326 177.092 1.234 17879 1844 1 3 . 1 1 95 95 ILE CA C 94 62.755 62.755 63.279 -0.524 17879 1845 1 3 . 1 1 95 95 ILE CB C 94 36.410 36.410 38.307 -1.897 17879 1846 1 3 . 1 1 95 95 ILE H H 94 7.872 7.872 7.689 0.183 17879 1847 1 3 . 1 1 96 96 TYR N N 95 120.697 120.697 120.093 0.604 17879 1848 1 3 . 1 1 96 96 TYR HA H 95 4.007 4.007 4.239 -0.232 17879 1849 1 3 . 1 1 96 96 TYR C C 95 176.022 176.022 176.404 -0.382 17879 1850 1 3 . 1 1 96 96 TYR CA C 95 62.187 62.187 60.301 1.886 17879 1851 1 3 . 1 1 96 96 TYR CB C 95 39.093 39.093 38.712 0.381 17879 1852 1 3 . 1 1 96 96 TYR H H 95 8.841 8.841 8.269 0.572 17879 1853 1 3 . 1 1 97 97 GLN N N 96 114.982 114.982 117.215 -2.233 17879 1854 1 3 . 1 1 97 97 GLN HA H 96 3.778 3.778 4.328 -0.550 17879 1855 1 3 . 1 1 97 97 GLN C C 96 177.250 177.250 176.066 1.184 17879 1856 1 3 . 1 1 97 97 GLN CA C 96 58.719 58.719 56.528 2.192 17879 1857 1 3 . 1 1 97 97 GLN CB C 96 28.286 28.286 28.686 -0.400 17879 1858 1 3 . 1 1 97 97 GLN H H 96 7.757 7.757 8.107 -0.350 17879 1859 1 3 . 1 1 98 98 GLU N N 97 114.340 114.340 117.658 -3.318 17879 1860 1 3 . 1 1 98 98 GLU HA H 97 4.099 4.099 4.319 -0.220 17879 1861 1 3 . 1 1 98 98 GLU C C 97 178.140 178.140 176.973 1.167 17879 1862 1 3 . 1 1 98 98 GLU CA C 97 57.886 57.886 56.676 1.210 17879 1863 1 3 . 1 1 98 98 GLU CB C 97 31.589 31.589 31.366 0.223 17879 1864 1 3 . 1 1 98 98 GLU H H 97 7.117 7.117 7.840 -0.723 17879 1865 1 3 . 1 1 99 99 HIS N N 98 113.377 113.377 117.575 -4.198 17879 1866 1 3 . 1 1 99 99 HIS HA H 98 4.829 4.829 4.754 0.075 17879 1867 1 3 . 1 1 99 99 HIS C C 98 175.856 175.856 174.286 1.570 17879 1868 1 3 . 1 1 99 99 HIS CA C 98 56.738 56.738 54.148 2.590 17879 1869 1 3 . 1 1 99 99 HIS CB C 98 32.930 32.930 30.789 2.141 17879 1870 1 3 . 1 1 99 99 HIS H H 98 8.247 8.247 8.009 0.238 17879 1871 1 3 . 1 1 100 100 LYS N N 99 120.905 120.905 119.156 1.749 17879 1872 1 3 . 1 1 100 100 LYS HA H 99 3.994 3.994 3.847 0.147 17879 1873 1 3 . 1 1 100 100 LYS C C 99 174.832 174.832 175.511 -0.679 17879 1874 1 3 . 1 1 100 100 LYS CA C 99 57.693 57.693 56.676 1.017 17879 1875 1 3 . 1 1 100 100 LYS CB C 99 31.703 31.703 32.561 -0.858 17879 1876 1 3 . 1 1 100 100 LYS H H 99 8.065 8.065 7.653 0.412 17879 1877 1 3 . 1 1 101 101 ASP N N 100 124.188 124.188 119.925 4.263 17879 1878 1 3 . 1 1 101 101 ASP HA H 100 4.765 4.765 4.903 -0.138 17879 1879 1 3 . 1 1 101 101 ASP C C 100 177.692 177.692 176.368 1.324 17879 1880 1 3 . 1 1 101 101 ASP CA C 100 54.030 54.030 52.054 1.976 17879 1881 1 3 . 1 1 101 101 ASP CB C 100 43.429 43.429 43.351 0.078 17879 1882 1 3 . 1 1 101 101 ASP H H 100 9.027 9.027 7.868 1.159 17879 1883 1 3 . 1 1 102 102 LYS N N 101 125.898 125.898 120.411 5.487 17879 1884 1 3 . 1 1 102 102 LYS HA H 101 4.239 4.239 4.259 -0.020 17879 1885 1 3 . 1 1 102 102 LYS C C 101 178.053 178.053 177.010 1.043 17879 1886 1 3 . 1 1 102 102 LYS CA C 101 59.482 59.482 59.254 0.228 17879 1887 1 3 . 1 1 102 102 LYS CB C 101 32.821 32.821 32.591 0.230 17879 1888 1 3 . 1 1 102 102 LYS H H 101 8.678 8.678 8.860 -0.182 17879 1889 1 3 . 1 1 103 103 ASP N N 102 119.326 119.326 113.568 5.758 17879 1890 1 3 . 1 1 103 103 ASP HA H 102 4.127 4.127 4.258 -0.131 17879 1891 1 3 . 1 1 103 103 ASP C C 102 176.833 176.833 176.878 -0.045 17879 1892 1 3 . 1 1 103 103 ASP CA C 102 54.666 54.666 53.561 1.105 17879 1893 1 3 . 1 1 103 103 ASP CB C 102 39.848 39.848 39.996 -0.148 17879 1894 1 3 . 1 1 103 103 ASP H H 102 10.276 10.276 8.409 1.867 17879 1895 1 3 . 1 1 104 104 GLY N N 103 106.059 106.059 107.364 -1.305 17879 1896 1 3 . 1 1 104 104 GLY C C 103 174.655 174.655 174.402 0.253 17879 1897 1 3 . 1 1 104 104 GLY CA C 103 45.319 45.319 45.524 -0.205 17879 1898 1 3 . 1 1 104 104 GLY H H 103 8.173 8.173 7.918 0.255 17879 1899 1 3 . 1 1 105 105 PHE N N 104 121.781 121.781 122.238 -0.457 17879 1900 1 3 . 1 1 105 105 PHE HA H 104 4.682 4.682 4.487 0.195 17879 1901 1 3 . 1 1 105 105 PHE C C 104 174.830 174.830 176.370 -1.540 17879 1902 1 3 . 1 1 105 105 PHE CA C 104 59.377 59.377 59.175 0.202 17879 1903 1 3 . 1 1 105 105 PHE CB C 104 39.938 39.938 38.686 1.252 17879 1904 1 3 . 1 1 105 105 PHE H H 104 9.600 9.600 7.328 2.272 17879 1905 1 3 . 1 1 106 106 LEU N N 105 119.929 119.929 124.168 -4.239 17879 1906 1 3 . 1 1 106 106 LEU HA H 105 4.897 4.897 4.158 0.739 17879 1907 1 3 . 1 1 106 106 LEU C C 105 173.947 173.947 176.144 -2.197 17879 1908 1 3 . 1 1 106 106 LEU CA C 105 53.463 53.463 55.546 -2.083 17879 1909 1 3 . 1 1 106 106 LEU CB C 105 45.066 45.066 42.873 2.193 17879 1910 1 3 . 1 1 106 106 LEU H H 105 8.376 8.376 8.615 -0.239 17879 1911 1 3 . 1 1 107 107 TYR N N 106 127.637 127.637 119.219 8.418 17879 1912 1 3 . 1 1 107 107 TYR HA H 106 4.992 4.992 4.921 0.071 17879 1913 1 3 . 1 1 107 107 TYR C C 106 176.099 176.099 175.103 0.996 17879 1914 1 3 . 1 1 107 107 TYR CA C 106 58.893 58.893 57.588 1.305 17879 1915 1 3 . 1 1 107 107 TYR CB C 106 38.140 38.140 40.668 -2.528 17879 1916 1 3 . 1 1 107 107 TYR H H 106 9.124 9.124 8.554 0.570 17879 1917 1 3 . 1 1 108 108 VAL N N 107 121.630 121.630 119.933 1.697 17879 1918 1 3 . 1 1 108 108 VAL HA H 107 5.135 5.135 5.225 -0.090 17879 1919 1 3 . 1 1 108 108 VAL C C 107 175.722 175.722 174.714 1.008 17879 1920 1 3 . 1 1 108 108 VAL CA C 107 59.587 59.587 59.136 0.451 17879 1921 1 3 . 1 1 108 108 VAL CB C 107 34.787 34.787 35.424 -0.637 17879 1922 1 3 . 1 1 108 108 VAL H H 107 9.560 9.560 8.873 0.687 17879 1923 1 3 . 1 1 109 109 THR N N 108 119.845 119.845 115.214 4.631 17879 1924 1 3 . 1 1 109 109 THR HA H 108 6.155 6.155 4.899 1.256 17879 1925 1 3 . 1 1 109 109 THR C C 108 174.158 174.158 173.777 0.381 17879 1926 1 3 . 1 1 109 109 THR CA C 108 59.869 59.869 62.188 -2.319 17879 1927 1 3 . 1 1 109 109 THR CB C 108 72.268 72.268 70.114 2.154 17879 1928 1 3 . 1 1 109 109 THR H H 108 9.061 9.061 8.221 0.840 17879 1929 1 3 . 1 1 110 110 TYR N N 109 119.706 119.706 126.912 -7.206 17879 1930 1 3 . 1 1 110 110 TYR HA H 109 6.332 6.332 5.570 0.762 17879 1931 1 3 . 1 1 110 110 TYR C C 109 173.366 173.366 174.027 -0.661 17879 1932 1 3 . 1 1 110 110 TYR CA C 109 54.655 54.655 55.039 -0.384 17879 1933 1 3 . 1 1 110 110 TYR CB C 109 42.250 42.250 38.815 3.435 17879 1934 1 3 . 1 1 110 110 TYR H H 109 8.461 8.461 9.281 -0.820 17879 1935 1 3 . 1 1 111 111 SER N N 110 112.907 112.907 119.860 -6.953 17879 1936 1 3 . 1 1 111 111 SER HA H 110 4.745 4.745 4.842 -0.097 17879 1937 1 3 . 1 1 111 111 SER C C 110 173.692 173.692 174.688 -0.996 17879 1938 1 3 . 1 1 111 111 SER CA C 110 56.044 56.044 56.226 -0.182 17879 1939 1 3 . 1 1 111 111 SER CB C 110 66.177 66.177 66.855 -0.678 17879 1940 1 3 . 1 1 111 111 SER H H 110 9.089 9.089 8.792 0.297 17879 1941 1 3 . 1 1 112 112 GLY N N 111 111.054 111.054 107.641 3.413 17879 1942 1 3 . 1 1 112 112 GLY C C 111 173.331 173.331 173.593 -0.262 17879 1943 1 3 . 1 1 112 112 GLY CA C 111 45.341 45.341 45.328 0.014 17879 1944 1 3 . 1 1 112 112 GLY H H 111 8.443 8.443 8.784 -0.341 17879 1945 1 3 . 1 1 113 113 GLU N N 112 118.801 118.801 118.888 -0.087 17879 1946 1 3 . 1 1 113 113 GLU HA H 112 4.660 4.660 4.490 0.170 17879 1947 1 3 . 1 1 113 113 GLU C C 112 174.538 174.538 175.507 -0.969 17879 1948 1 3 . 1 1 113 113 GLU CA C 112 55.642 55.642 54.767 0.875 17879 1949 1 3 . 1 1 113 113 GLU CB C 112 32.930 32.930 31.000 1.930 17879 1950 1 3 . 1 1 113 113 GLU H H 112 8.413 8.413 7.723 0.690 17879 1951 1 3 . 1 1 114 114 ASN N N 113 118.152 118.152 123.541 -5.389 17879 1952 1 3 . 1 1 114 114 ASN HA H 113 4.187 4.187 4.595 -0.408 17879 1953 1 3 . 1 1 114 114 ASN C C 113 175.011 175.011 174.366 0.645 17879 1954 1 3 . 1 1 114 114 ASN CA C 113 51.910 51.910 52.837 -0.927 17879 1955 1 3 . 1 1 114 114 ASN CB C 113 36.865 36.865 36.989 -0.124 17879 1956 1 3 . 1 1 114 114 ASN H H 113 8.207 8.207 8.732 -0.525 17879 1957 1 3 . 1 1 115 115 THR N N 114 112.887 112.887 116.272 -3.385 17879 1958 1 3 . 1 1 115 115 THR HA H 114 4.190 4.190 4.608 -0.418 17879 1959 1 3 . 1 1 115 115 THR C C 114 173.575 173.575 172.949 0.626 17879 1960 1 3 . 1 1 115 115 THR CA C 114 61.149 61.149 60.711 0.438 17879 1961 1 3 . 1 1 115 115 THR CB C 114 69.859 69.859 70.368 -0.509 17879 1962 1 3 . 1 1 115 115 THR H H 114 7.411 7.411 7.774 -0.363 17879 1963 1 3 . 1 1 116 116 PHE N N 115 121.474 121.474 117.812 3.662 17879 1964 1 3 . 1 1 116 116 PHE HA H 115 4.451 4.451 4.251 0.200 17879 1965 1 3 . 1 1 116 116 PHE C C 115 175.078 175.078 174.381 0.697 17879 1966 1 3 . 1 1 116 116 PHE CA C 115 57.681 57.681 56.151 1.530 17879 1967 1 3 . 1 1 116 116 PHE CB C 115 39.569 39.569 38.331 1.238 17879 1968 1 3 . 1 1 116 116 PHE H H 115 8.021 8.021 7.553 0.468 17879 1969 1 4 . 1 1 2 2 MET N N 1 122.410 122.410 120.217 2.193 17879 1970 1 4 . 1 1 2 2 MET HA H 1 4.455 4.455 4.737 -0.282 17879 1971 1 4 . 1 1 2 2 MET C C 1 175.655 175.655 175.660 -0.005 17879 1972 1 4 . 1 1 2 2 MET CA C 1 55.438 55.438 55.493 -0.055 17879 1973 1 4 . 1 1 2 2 MET CB C 1 33.126 33.126 34.309 -1.183 17879 1974 1 4 . 1 1 2 2 MET H H 1 8.425 8.425 8.027 0.398 17879 1975 1 4 . 1 1 3 3 LYS N N 2 123.656 123.656 116.588 7.068 17879 1976 1 4 . 1 1 3 3 LYS HA H 2 4.326 4.326 4.717 -0.391 17879 1977 1 4 . 1 1 3 3 LYS C C 2 176.266 176.266 176.145 0.121 17879 1978 1 4 . 1 1 3 3 LYS CA C 2 56.348 56.348 56.123 0.224 17879 1979 1 4 . 1 1 3 3 LYS CB C 2 33.219 33.219 34.410 -1.192 17879 1980 1 4 . 1 1 3 3 LYS H H 2 8.512 8.512 8.282 0.230 17879 1981 1 4 . 1 1 4 4 SER N N 3 118.350 118.350 115.472 2.878 17879 1982 1 4 . 1 1 4 4 SER HA H 3 4.631 4.631 4.601 0.030 17879 1983 1 4 . 1 1 4 4 SER C C 3 175.421 175.421 174.597 0.824 17879 1984 1 4 . 1 1 4 4 SER CA C 3 57.629 57.629 58.470 -0.841 17879 1985 1 4 . 1 1 4 4 SER CB C 3 64.079 64.079 64.301 -0.222 17879 1986 1 4 . 1 1 4 4 SER H H 3 8.426 8.426 8.161 0.265 17879 1987 1 4 . 1 1 5 5 THR N N 4 127.775 127.775 115.041 12.734 17879 1988 1 4 . 1 1 5 5 THR HA H 4 4.482 4.482 4.437 0.045 17879 1989 1 4 . 1 1 5 5 THR C C 4 174.680 174.680 174.674 0.006 17879 1990 1 4 . 1 1 5 5 THR CA C 4 62.001 62.001 62.999 -0.998 17879 1991 1 4 . 1 1 5 5 THR CB C 4 70.137 70.137 69.455 0.682 17879 1992 1 4 . 1 1 5 5 THR H H 4 9.971 9.971 8.488 1.483 17879 1993 1 4 . 1 1 6 6 PHE N N 5 123.021 123.021 121.674 1.347 17879 1994 1 4 . 1 1 6 6 PHE HA H 5 4.125 4.125 4.601 -0.476 17879 1995 1 4 . 1 1 6 6 PHE C C 5 177.064 177.064 175.702 1.362 17879 1996 1 4 . 1 1 6 6 PHE CA C 5 63.041 63.041 58.950 4.091 17879 1997 1 4 . 1 1 6 6 PHE CB C 5 40.828 40.828 39.470 1.358 17879 1998 1 4 . 1 1 6 6 PHE H H 5 8.863 8.863 8.317 0.546 17879 1999 1 4 . 1 1 7 7 LYS N N 6 114.006 114.006 118.581 -4.575 17879 2000 1 4 . 1 1 7 7 LYS HA H 6 3.916 3.916 3.788 0.128 17879 2001 1 4 . 1 1 7 7 LYS C C 6 177.535 177.535 176.447 1.088 17879 2002 1 4 . 1 1 7 7 LYS CA C 6 60.026 60.026 57.229 2.797 17879 2003 1 4 . 1 1 7 7 LYS CB C 6 33.611 33.611 32.079 1.532 17879 2004 1 4 . 1 1 7 7 LYS H H 6 8.661 8.661 7.938 0.723 17879 2005 1 4 . 1 1 8 8 SER N N 7 111.149 111.149 112.737 -1.588 17879 2006 1 4 . 1 1 8 8 SER HA H 7 4.275 4.275 4.291 -0.016 17879 2007 1 4 . 1 1 8 8 SER C C 7 175.689 175.689 175.427 0.262 17879 2008 1 4 . 1 1 8 8 SER CA C 7 60.007 60.007 58.919 1.088 17879 2009 1 4 . 1 1 8 8 SER CB C 7 63.759 63.759 63.000 0.759 17879 2010 1 4 . 1 1 8 8 SER H H 7 7.552 7.552 7.810 -0.258 17879 2011 1 4 . 1 1 9 9 GLU N N 8 122.296 122.296 120.855 1.441 17879 2012 1 4 . 1 1 9 9 GLU HA H 8 3.818 3.818 4.204 -0.386 17879 2013 1 4 . 1 1 9 9 GLU C C 8 176.068 176.068 176.203 -0.135 17879 2014 1 4 . 1 1 9 9 GLU CA C 8 58.137 58.137 57.996 0.141 17879 2015 1 4 . 1 1 9 9 GLU CB C 8 30.965 30.965 30.099 0.866 17879 2016 1 4 . 1 1 9 9 GLU H H 8 7.924 7.924 7.905 0.019 17879 2017 1 4 . 1 1 10 10 TYR N N 9 115.131 115.131 116.126 -0.995 17879 2018 1 4 . 1 1 10 10 TYR HA H 9 5.066 5.066 4.942 0.124 17879 2019 1 4 . 1 1 10 10 TYR CA C 9 53.958 53.958 53.714 0.244 17879 2020 1 4 . 1 1 10 10 TYR CB C 9 41.055 41.055 37.781 3.274 17879 2021 1 4 . 1 1 10 10 TYR H H 9 7.052 7.052 7.089 -0.037 17879 2022 1 4 . 1 1 11 11 PRO HA H 10 4.708 4.708 4.574 0.134 17879 2023 1 4 . 1 1 11 11 PRO C C 10 177.384 177.384 177.095 0.289 17879 2024 1 4 . 1 1 11 11 PRO CA C 10 62.279 62.279 61.804 0.475 17879 2025 1 4 . 1 1 11 11 PRO CB C 10 33.087 33.087 32.754 0.333 17879 2026 1 4 . 1 1 12 12 PHE N N 11 125.307 125.307 121.252 4.055 17879 2027 1 4 . 1 1 12 12 PHE HA H 11 3.883 3.883 4.289 -0.406 17879 2028 1 4 . 1 1 12 12 PHE C C 11 176.157 176.157 177.053 -0.896 17879 2029 1 4 . 1 1 12 12 PHE CA C 11 63.156 63.156 61.742 1.415 17879 2030 1 4 . 1 1 12 12 PHE CB C 11 39.935 39.935 39.348 0.587 17879 2031 1 4 . 1 1 12 12 PHE H H 11 9.385 9.385 8.710 0.675 17879 2032 1 4 . 1 1 13 13 GLU N N 12 115.356 115.356 117.711 -2.355 17879 2033 1 4 . 1 1 13 13 GLU HA H 12 3.857 3.857 4.190 -0.333 17879 2034 1 4 . 1 1 13 13 GLU C C 12 179.598 179.598 178.756 0.842 17879 2035 1 4 . 1 1 13 13 GLU CA C 12 60.317 60.317 59.689 0.628 17879 2036 1 4 . 1 1 13 13 GLU CB C 12 28.642 28.642 28.926 -0.284 17879 2037 1 4 . 1 1 13 13 GLU H H 12 9.800 9.800 9.129 0.671 17879 2038 1 4 . 1 1 14 14 LYS N N 13 118.194 118.194 119.604 -1.410 17879 2039 1 4 . 1 1 14 14 LYS HA H 13 4.246 4.246 4.265 -0.019 17879 2040 1 4 . 1 1 14 14 LYS C C 13 178.804 178.804 178.436 0.368 17879 2041 1 4 . 1 1 14 14 LYS CA C 13 58.143 58.143 58.261 -0.118 17879 2042 1 4 . 1 1 14 14 LYS CB C 13 32.770 32.770 32.582 0.188 17879 2043 1 4 . 1 1 14 14 LYS H H 13 7.160 7.160 7.338 -0.178 17879 2044 1 4 . 1 1 15 15 ARG N N 14 120.949 120.949 119.903 1.046 17879 2045 1 4 . 1 1 15 15 ARG HA H 14 3.892 3.892 4.049 -0.157 17879 2046 1 4 . 1 1 15 15 ARG C C 14 176.858 176.858 178.587 -1.729 17879 2047 1 4 . 1 1 15 15 ARG CA C 14 61.520 61.520 58.729 2.791 17879 2048 1 4 . 1 1 15 15 ARG CB C 14 32.840 32.840 29.605 3.235 17879 2049 1 4 . 1 1 15 15 ARG H H 14 7.686 7.686 8.325 -0.639 17879 2050 1 4 . 1 1 16 16 LYS N N 15 119.224 119.224 118.901 0.323 17879 2051 1 4 . 1 1 16 16 LYS HA H 15 4.449 4.449 4.276 0.173 17879 2052 1 4 . 1 1 16 16 LYS C C 15 177.796 177.796 177.939 -0.143 17879 2053 1 4 . 1 1 16 16 LYS CA C 15 57.366 57.366 58.798 -1.432 17879 2054 1 4 . 1 1 16 16 LYS CB C 15 32.529 32.529 31.848 0.681 17879 2055 1 4 . 1 1 16 16 LYS H H 15 8.667 8.667 8.341 0.326 17879 2056 1 4 . 1 1 17 17 ALA N N 16 117.777 117.777 121.311 -3.534 17879 2057 1 4 . 1 1 17 17 ALA HA H 16 4.164 4.164 4.120 0.044 17879 2058 1 4 . 1 1 17 17 ALA C C 16 180.641 180.641 179.644 0.997 17879 2059 1 4 . 1 1 17 17 ALA CA C 16 54.627 54.627 54.635 -0.008 17879 2060 1 4 . 1 1 17 17 ALA CB C 16 18.114 18.114 17.956 0.158 17879 2061 1 4 . 1 1 17 17 ALA H H 16 7.305 7.305 7.694 -0.389 17879 2062 1 4 . 1 1 18 18 GLU N N 17 119.934 119.934 118.533 1.401 17879 2063 1 4 . 1 1 18 18 GLU HA H 17 4.695 4.695 4.169 0.526 17879 2064 1 4 . 1 1 18 18 GLU C C 17 178.339 178.339 178.488 -0.149 17879 2065 1 4 . 1 1 18 18 GLU CA C 17 58.173 58.173 58.893 -0.720 17879 2066 1 4 . 1 1 18 18 GLU CB C 17 28.765 28.765 29.289 -0.524 17879 2067 1 4 . 1 1 18 18 GLU H H 17 7.849 7.849 7.835 0.014 17879 2068 1 4 . 1 1 19 19 SER N N 18 117.685 117.685 114.042 3.643 17879 2069 1 4 . 1 1 19 19 SER HA H 18 3.542 3.542 4.293 -0.751 17879 2070 1 4 . 1 1 19 19 SER C C 18 178.206 178.206 176.979 1.227 17879 2071 1 4 . 1 1 19 19 SER CA C 18 62.108 62.108 60.950 1.158 17879 2072 1 4 . 1 1 19 19 SER CB C 18 59.839 59.839 62.562 -2.723 17879 2073 1 4 . 1 1 19 19 SER H H 18 8.785 8.785 7.980 0.805 17879 2074 1 4 . 1 1 20 20 GLU N N 19 124.346 124.346 121.697 2.649 17879 2075 1 4 . 1 1 20 20 GLU HA H 19 3.988 3.988 4.263 -0.275 17879 2076 1 4 . 1 1 20 20 GLU C C 19 178.788 178.788 177.653 1.135 17879 2077 1 4 . 1 1 20 20 GLU CA C 19 59.701 59.701 58.528 1.173 17879 2078 1 4 . 1 1 20 20 GLU CB C 19 29.318 29.318 29.716 -0.398 17879 2079 1 4 . 1 1 20 20 GLU H H 19 8.052 8.052 7.883 0.169 17879 2080 1 4 . 1 1 21 21 ARG N N 20 122.089 122.089 117.941 4.148 17879 2081 1 4 . 1 1 21 21 ARG HA H 20 4.093 4.093 4.393 -0.300 17879 2082 1 4 . 1 1 21 21 ARG C C 20 179.458 179.458 178.953 0.505 17879 2083 1 4 . 1 1 21 21 ARG CA C 20 59.500 59.500 57.422 2.078 17879 2084 1 4 . 1 1 21 21 ARG CB C 20 30.412 30.412 31.339 -0.927 17879 2085 1 4 . 1 1 21 21 ARG H H 20 7.958 7.958 7.652 0.306 17879 2086 1 4 . 1 1 22 22 ILE N N 21 119.893 119.893 121.347 -1.454 17879 2087 1 4 . 1 1 22 22 ILE HA H 21 3.623 3.623 3.741 -0.118 17879 2088 1 4 . 1 1 22 22 ILE C C 21 176.842 176.842 176.686 0.156 17879 2089 1 4 . 1 1 22 22 ILE CA C 21 65.145 65.145 64.799 0.346 17879 2090 1 4 . 1 1 22 22 ILE CB C 21 38.195 38.195 37.736 0.459 17879 2091 1 4 . 1 1 22 22 ILE H H 21 8.277 8.277 8.745 -0.468 17879 2092 1 4 . 1 1 23 23 ALA N N 22 121.816 121.816 121.047 0.769 17879 2093 1 4 . 1 1 23 23 ALA HA H 22 4.071 4.071 4.137 -0.066 17879 2094 1 4 . 1 1 23 23 ALA C C 22 179.199 179.199 178.009 1.190 17879 2095 1 4 . 1 1 23 23 ALA CA C 22 54.519 54.519 54.110 0.409 17879 2096 1 4 . 1 1 23 23 ALA CB C 22 18.001 18.001 18.628 -0.627 17879 2097 1 4 . 1 1 23 23 ALA H H 22 7.962 7.962 7.900 0.062 17879 2098 1 4 . 1 1 24 24 ASP N N 23 114.866 114.866 116.830 -1.964 17879 2099 1 4 . 1 1 24 24 ASP HA H 23 4.401 4.401 4.551 -0.150 17879 2100 1 4 . 1 1 24 24 ASP C C 23 177.324 177.324 177.443 -0.119 17879 2101 1 4 . 1 1 24 24 ASP CA C 23 56.248 56.248 54.830 1.418 17879 2102 1 4 . 1 1 24 24 ASP CB C 23 42.193 42.193 41.556 0.637 17879 2103 1 4 . 1 1 24 24 ASP H H 23 7.368 7.368 7.851 -0.483 17879 2104 1 4 . 1 1 25 25 ARG N N 24 116.868 116.868 118.298 -1.430 17879 2105 1 4 . 1 1 25 25 ARG HA H 24 3.922 3.922 4.095 -0.173 17879 2106 1 4 . 1 1 25 25 ARG C C 24 176.266 176.266 176.723 -0.457 17879 2107 1 4 . 1 1 25 25 ARG CA C 24 57.158 57.158 57.233 -0.075 17879 2108 1 4 . 1 1 25 25 ARG CB C 24 31.477 31.477 31.749 -0.272 17879 2109 1 4 . 1 1 25 25 ARG H H 24 7.815 7.815 7.439 0.376 17879 2110 1 4 . 1 1 26 26 PHE N N 25 116.737 116.737 117.057 -0.320 17879 2111 1 4 . 1 1 26 26 PHE HA H 25 5.084 5.084 5.013 0.071 17879 2112 1 4 . 1 1 26 26 PHE CA C 25 54.304 54.304 54.903 -0.599 17879 2113 1 4 . 1 1 26 26 PHE CB C 25 39.026 39.026 38.682 0.344 17879 2114 1 4 . 1 1 26 26 PHE H H 25 8.658 8.658 7.983 0.675 17879 2115 1 4 . 1 1 27 27 PRO HA H 26 4.503 4.503 4.378 0.125 17879 2116 1 4 . 1 1 27 27 PRO C C 26 177.538 177.538 176.386 1.152 17879 2117 1 4 . 1 1 27 27 PRO CA C 26 64.394 64.394 64.248 0.146 17879 2118 1 4 . 1 1 27 27 PRO CB C 26 31.961 31.961 32.050 -0.089 17879 2119 1 4 . 1 1 28 28 ASN N N 27 114.596 114.596 116.114 -1.518 17879 2120 1 4 . 1 1 28 28 ASN HA H 27 4.725 4.725 4.719 0.006 17879 2121 1 4 . 1 1 28 28 ASN C C 27 174.678 174.678 174.761 -0.083 17879 2122 1 4 . 1 1 28 28 ASN CA C 27 52.868 52.868 52.089 0.779 17879 2123 1 4 . 1 1 28 28 ASN CB C 27 38.331 38.331 37.694 0.637 17879 2124 1 4 . 1 1 28 28 ASN H H 27 8.537 8.537 8.726 -0.189 17879 2125 1 4 . 1 1 29 29 ARG N N 28 116.946 116.946 119.202 -2.256 17879 2126 1 4 . 1 1 29 29 ARG HA H 28 4.769 4.769 4.565 0.204 17879 2127 1 4 . 1 1 29 29 ARG C C 28 174.469 174.469 174.536 -0.067 17879 2128 1 4 . 1 1 29 29 ARG CA C 28 52.948 52.948 54.584 -1.637 17879 2129 1 4 . 1 1 29 29 ARG CB C 28 32.941 32.941 33.791 -0.850 17879 2130 1 4 . 1 1 29 29 ARG H H 28 7.580 7.580 7.389 0.191 17879 2131 1 4 . 1 1 30 30 ILE N N 29 121.854 121.854 120.465 1.389 17879 2132 1 4 . 1 1 30 30 ILE HA H 29 4.098 4.098 3.855 0.243 17879 2133 1 4 . 1 1 30 30 ILE CA C 29 55.558 55.558 57.255 -1.697 17879 2134 1 4 . 1 1 30 30 ILE CB C 29 38.805 38.805 39.833 -1.028 17879 2135 1 4 . 1 1 30 30 ILE H H 29 9.262 9.262 8.635 0.627 17879 2136 1 4 . 1 1 31 31 PRO HA H 30 4.856 4.856 4.618 0.238 17879 2137 1 4 . 1 1 31 31 PRO C C 30 174.121 174.121 175.831 -1.710 17879 2138 1 4 . 1 1 31 31 PRO CA C 30 61.705 61.705 61.741 -0.036 17879 2139 1 4 . 1 1 31 31 PRO CB C 30 30.966 30.966 32.009 -1.043 17879 2140 1 4 . 1 1 32 32 VAL N N 31 127.197 127.197 121.007 6.190 17879 2141 1 4 . 1 1 32 32 VAL HA H 31 4.997 4.997 4.501 0.496 17879 2142 1 4 . 1 1 32 32 VAL C C 31 174.181 174.181 173.465 0.716 17879 2143 1 4 . 1 1 32 32 VAL CA C 31 60.620 60.620 60.578 0.042 17879 2144 1 4 . 1 1 32 32 VAL CB C 31 35.645 35.645 35.694 -0.049 17879 2145 1 4 . 1 1 32 32 VAL H H 31 9.096 9.096 8.877 0.219 17879 2146 1 4 . 1 1 33 33 ILE N N 32 127.157 127.157 125.482 1.675 17879 2147 1 4 . 1 1 33 33 ILE HA H 32 4.917 4.917 4.723 0.194 17879 2148 1 4 . 1 1 33 33 ILE C C 32 174.991 174.991 175.145 -0.154 17879 2149 1 4 . 1 1 33 33 ILE CA C 32 56.589 56.589 58.118 -1.529 17879 2150 1 4 . 1 1 33 33 ILE CB C 32 35.908 35.908 37.718 -1.810 17879 2151 1 4 . 1 1 33 33 ILE H H 32 8.775 8.775 8.402 0.373 17879 2152 1 4 . 1 1 34 34 CYS N N 33 129.280 129.280 127.865 1.415 17879 2153 1 4 . 1 1 34 34 CYS HA H 33 5.559 5.559 4.698 0.861 17879 2154 1 4 . 1 1 34 34 CYS C C 33 173.218 173.218 173.653 -0.435 17879 2155 1 4 . 1 1 34 34 CYS CA C 33 57.121 57.121 58.901 -1.780 17879 2156 1 4 . 1 1 34 34 CYS CB C 33 28.880 28.880 29.604 -0.724 17879 2157 1 4 . 1 1 34 34 CYS H H 33 9.738 9.738 9.392 0.346 17879 2158 1 4 . 1 1 35 35 GLU N N 34 124.130 124.130 124.886 -0.756 17879 2159 1 4 . 1 1 35 35 GLU HA H 34 4.977 4.977 4.702 0.275 17879 2160 1 4 . 1 1 35 35 GLU C C 34 174.190 174.190 174.154 0.036 17879 2161 1 4 . 1 1 35 35 GLU CA C 34 54.308 54.308 54.849 -0.541 17879 2162 1 4 . 1 1 35 35 GLU CB C 34 35.281 35.281 33.599 1.682 17879 2163 1 4 . 1 1 35 35 GLU H H 34 8.531 8.531 8.083 0.448 17879 2164 1 4 . 1 1 36 36 LYS N N 35 123.562 123.562 123.548 0.014 17879 2165 1 4 . 1 1 36 36 LYS HA H 35 3.056 3.056 4.079 -1.023 17879 2166 1 4 . 1 1 36 36 LYS C C 35 177.452 177.452 176.263 1.189 17879 2167 1 4 . 1 1 36 36 LYS CA C 35 56.374 56.374 54.216 2.158 17879 2168 1 4 . 1 1 36 36 LYS CB C 35 32.750 32.750 33.159 -0.409 17879 2169 1 4 . 1 1 36 36 LYS H H 35 8.949 8.949 8.529 0.420 17879 2170 1 4 . 1 1 37 37 ALA N N 36 129.494 129.494 129.469 0.025 17879 2171 1 4 . 1 1 37 37 ALA HA H 36 4.163 4.163 4.107 0.056 17879 2172 1 4 . 1 1 37 37 ALA C C 36 178.375 178.375 177.810 0.565 17879 2173 1 4 . 1 1 37 37 ALA CA C 36 52.702 52.702 52.942 -0.240 17879 2174 1 4 . 1 1 37 37 ALA CB C 36 18.673 18.673 19.398 -0.726 17879 2175 1 4 . 1 1 37 37 ALA H H 36 8.561 8.561 7.773 0.788 17879 2176 1 4 . 1 1 38 38 GLU N N 37 125.115 125.115 123.480 1.635 17879 2177 1 4 . 1 1 38 38 GLU HA H 37 3.959 3.959 4.042 -0.083 17879 2178 1 4 . 1 1 38 38 GLU C C 37 177.516 177.516 177.390 0.126 17879 2179 1 4 . 1 1 38 38 GLU CA C 37 59.302 59.302 58.878 0.424 17879 2180 1 4 . 1 1 38 38 GLU CB C 37 30.154 30.154 29.721 0.433 17879 2181 1 4 . 1 1 38 38 GLU H H 37 8.648 8.648 8.139 0.509 17879 2182 1 4 . 1 1 39 39 LYS N N 38 115.020 115.020 118.975 -3.955 17879 2183 1 4 . 1 1 39 39 LYS HA H 38 4.188 4.188 4.083 0.105 17879 2184 1 4 . 1 1 39 39 LYS C C 38 176.244 176.244 176.514 -0.270 17879 2185 1 4 . 1 1 39 39 LYS CA C 38 56.564 56.564 56.947 -0.383 17879 2186 1 4 . 1 1 39 39 LYS CB C 38 31.484 31.484 32.058 -0.574 17879 2187 1 4 . 1 1 39 39 LYS H H 38 8.494 8.494 8.199 0.295 17879 2188 1 4 . 1 1 40 40 SER N N 39 113.091 113.091 113.683 -0.592 17879 2189 1 4 . 1 1 40 40 SER HA H 39 4.535 4.535 4.264 0.271 17879 2190 1 4 . 1 1 40 40 SER C C 39 174.896 174.896 174.225 0.671 17879 2191 1 4 . 1 1 40 40 SER CA C 39 57.985 57.985 58.502 -0.517 17879 2192 1 4 . 1 1 40 40 SER CB C 39 65.000 65.000 63.600 1.399 17879 2193 1 4 . 1 1 40 40 SER H H 39 7.346 7.346 7.822 -0.476 17879 2194 1 4 . 1 1 41 41 ASP N N 40 127.375 127.375 121.596 5.779 17879 2195 1 4 . 1 1 41 41 ASP HA H 40 4.782 4.782 4.811 -0.029 17879 2196 1 4 . 1 1 41 41 ASP C C 40 175.205 175.205 175.680 -0.475 17879 2197 1 4 . 1 1 41 41 ASP CA C 40 53.549 53.549 54.062 -0.513 17879 2198 1 4 . 1 1 41 41 ASP CB C 40 39.916 39.916 41.039 -1.123 17879 2199 1 4 . 1 1 41 41 ASP H H 40 8.744 8.744 8.433 0.311 17879 2200 1 4 . 1 1 42 42 ILE N N 41 122.943 122.943 119.498 3.445 17879 2201 1 4 . 1 1 42 42 ILE HA H 41 4.661 4.661 4.601 0.060 17879 2202 1 4 . 1 1 42 42 ILE CA C 41 59.133 59.133 58.079 1.054 17879 2203 1 4 . 1 1 42 42 ILE CB C 41 40.534 40.534 38.443 2.091 17879 2204 1 4 . 1 1 42 42 ILE H H 41 7.649 7.649 7.466 0.183 17879 2205 1 4 . 1 1 43 43 PRO HA H 42 4.414 4.414 4.524 -0.110 17879 2206 1 4 . 1 1 43 43 PRO C C 42 175.952 175.952 176.252 -0.300 17879 2207 1 4 . 1 1 43 43 PRO CA C 42 63.829 63.829 62.635 1.194 17879 2208 1 4 . 1 1 43 43 PRO CB C 42 32.895 32.895 32.099 0.796 17879 2209 1 4 . 1 1 44 44 GLU N N 43 120.369 120.369 123.112 -2.743 17879 2210 1 4 . 1 1 44 44 GLU HA H 43 4.298 4.298 4.147 0.151 17879 2211 1 4 . 1 1 44 44 GLU C C 43 175.316 175.316 175.809 -0.493 17879 2212 1 4 . 1 1 44 44 GLU CA C 43 56.400 56.400 57.309 -0.908 17879 2213 1 4 . 1 1 44 44 GLU CB C 43 31.282 31.282 30.519 0.763 17879 2214 1 4 . 1 1 44 44 GLU H H 43 8.393 8.393 8.507 -0.114 17879 2215 1 4 . 1 1 45 45 ILE N N 44 123.670 123.670 119.662 4.008 17879 2216 1 4 . 1 1 45 45 ILE HA H 44 4.419 4.419 4.365 0.054 17879 2217 1 4 . 1 1 45 45 ILE C C 44 174.786 174.786 176.300 -1.514 17879 2218 1 4 . 1 1 45 45 ILE CA C 44 61.027 61.027 60.197 0.830 17879 2219 1 4 . 1 1 45 45 ILE CB C 44 40.509 40.509 40.445 0.064 17879 2220 1 4 . 1 1 45 45 ILE H H 44 8.067 8.067 8.420 -0.353 17879 2221 1 4 . 1 1 46 46 ASP N N 45 123.340 123.340 122.736 0.604 17879 2222 1 4 . 1 1 46 46 ASP HA H 45 4.412 4.412 4.412 0.000 17879 2223 1 4 . 1 1 46 46 ASP C C 45 175.494 175.494 175.537 -0.043 17879 2224 1 4 . 1 1 46 46 ASP CA C 45 55.467 55.467 57.421 -1.954 17879 2225 1 4 . 1 1 46 46 ASP CB C 45 40.320 40.320 41.120 -0.800 17879 2226 1 4 . 1 1 46 46 ASP H H 45 8.468 8.468 8.950 -0.482 17879 2227 1 4 . 1 1 47 47 LYS N N 46 121.295 121.295 113.309 7.986 17879 2228 1 4 . 1 1 47 47 LYS HA H 46 4.428 4.428 4.858 -0.430 17879 2229 1 4 . 1 1 47 47 LYS CA C 46 56.020 56.020 54.312 1.708 17879 2230 1 4 . 1 1 47 47 LYS CB C 46 34.644 34.644 35.286 -0.642 17879 2231 1 4 . 1 1 47 47 LYS H H 46 7.319 7.319 7.720 -0.401 17879 2232 1 4 . 1 1 48 48 ARG N N 47 124.949 124.949 120.782 4.167 17879 2233 1 4 . 1 1 48 48 ARG HA H 47 5.271 5.271 4.915 0.356 17879 2234 1 4 . 1 1 48 48 ARG C C 47 173.546 173.546 175.072 -1.526 17879 2235 1 4 . 1 1 48 48 ARG CA C 47 55.581 55.581 55.453 0.128 17879 2236 1 4 . 1 1 48 48 ARG CB C 47 32.992 32.992 30.393 2.599 17879 2237 1 4 . 1 1 48 48 ARG H H 47 8.558 8.558 8.386 0.172 17879 2238 1 4 . 1 1 49 49 LYS N N 48 122.812 122.812 122.792 0.020 17879 2239 1 4 . 1 1 49 49 LYS HA H 48 5.030 5.030 4.394 0.636 17879 2240 1 4 . 1 1 49 49 LYS C C 48 174.301 174.301 174.543 -0.242 17879 2241 1 4 . 1 1 49 49 LYS CA C 48 55.042 55.042 56.129 -1.087 17879 2242 1 4 . 1 1 49 49 LYS CB C 48 34.065 34.065 34.488 -0.423 17879 2243 1 4 . 1 1 49 49 LYS H H 48 7.440 7.440 8.073 -0.633 17879 2244 1 4 . 1 1 50 50 TYR N N 49 124.842 124.842 124.918 -0.076 17879 2245 1 4 . 1 1 50 50 TYR HA H 49 4.721 4.721 4.573 0.148 17879 2246 1 4 . 1 1 50 50 TYR C C 49 173.674 173.674 173.890 -0.216 17879 2247 1 4 . 1 1 50 50 TYR CA C 49 57.192 57.192 57.604 -0.412 17879 2248 1 4 . 1 1 50 50 TYR CB C 49 43.123 43.123 42.350 0.773 17879 2249 1 4 . 1 1 50 50 TYR H H 49 9.590 9.590 9.427 0.163 17879 2250 1 4 . 1 1 51 51 LEU N N 50 124.138 124.138 126.348 -2.210 17879 2251 1 4 . 1 1 51 51 LEU HA H 50 4.753 4.753 4.656 0.097 17879 2252 1 4 . 1 1 51 51 LEU C C 50 176.050 176.050 176.058 -0.008 17879 2253 1 4 . 1 1 51 51 LEU CA C 50 53.158 53.158 53.468 -0.310 17879 2254 1 4 . 1 1 51 51 LEU CB C 50 41.155 41.155 41.723 -0.568 17879 2255 1 4 . 1 1 51 51 LEU H H 50 8.901 8.901 8.404 0.497 17879 2256 1 4 . 1 1 52 52 VAL N N 51 123.181 123.181 120.326 2.855 17879 2257 1 4 . 1 1 52 52 VAL HA H 51 3.948 3.948 4.585 -0.637 17879 2258 1 4 . 1 1 52 52 VAL CA C 51 59.724 59.724 59.235 0.489 17879 2259 1 4 . 1 1 52 52 VAL CB C 51 33.605 33.605 32.367 1.238 17879 2260 1 4 . 1 1 52 52 VAL H H 51 8.513 8.513 8.098 0.415 17879 2261 1 4 . 1 1 53 53 PRO HA H 52 4.305 4.305 4.355 -0.050 17879 2262 1 4 . 1 1 53 53 PRO C C 52 176.607 176.607 176.044 0.563 17879 2263 1 4 . 1 1 53 53 PRO CA C 52 63.950 63.950 62.048 1.902 17879 2264 1 4 . 1 1 53 53 PRO CB C 52 32.163 32.163 32.451 -0.288 17879 2265 1 4 . 1 1 54 54 ALA N N 53 123.771 123.771 120.013 3.758 17879 2266 1 4 . 1 1 54 54 ALA HA H 53 3.720 3.720 4.228 -0.508 17879 2267 1 4 . 1 1 54 54 ALA C C 53 176.409 176.409 176.790 -0.381 17879 2268 1 4 . 1 1 54 54 ALA CA C 53 54.742 54.742 52.599 2.143 17879 2269 1 4 . 1 1 54 54 ALA CB C 53 18.948 18.948 19.298 -0.350 17879 2270 1 4 . 1 1 54 54 ALA H H 53 7.926 7.926 8.436 -0.510 17879 2271 1 4 . 1 1 55 55 ASP N N 54 111.152 111.152 117.467 -6.315 17879 2272 1 4 . 1 1 55 55 ASP HA H 54 4.621 4.621 4.696 -0.075 17879 2273 1 4 . 1 1 55 55 ASP C C 54 175.823 175.823 175.551 0.272 17879 2274 1 4 . 1 1 55 55 ASP CA C 54 52.744 52.744 54.116 -1.372 17879 2275 1 4 . 1 1 55 55 ASP CB C 54 39.861 39.861 41.183 -1.322 17879 2276 1 4 . 1 1 55 55 ASP H H 54 8.106 8.106 7.983 0.123 17879 2277 1 4 . 1 1 56 56 LEU N N 55 121.263 121.263 121.862 -0.599 17879 2278 1 4 . 1 1 56 56 LEU HA H 55 4.351 4.351 4.435 -0.084 17879 2279 1 4 . 1 1 56 56 LEU C C 55 177.459 177.459 176.763 0.696 17879 2280 1 4 . 1 1 56 56 LEU CA C 55 55.472 55.472 55.144 0.328 17879 2281 1 4 . 1 1 56 56 LEU CB C 55 43.593 43.593 42.868 0.725 17879 2282 1 4 . 1 1 56 56 LEU H H 55 7.295 7.295 7.810 -0.515 17879 2283 1 4 . 1 1 57 57 THR N N 56 114.222 114.222 116.554 -2.332 17879 2284 1 4 . 1 1 57 57 THR HA H 56 5.233 5.233 4.525 0.708 17879 2285 1 4 . 1 1 57 57 THR C C 56 176.538 176.538 175.691 0.847 17879 2286 1 4 . 1 1 57 57 THR CA C 56 60.318 60.318 60.581 -0.263 17879 2287 1 4 . 1 1 57 57 THR CB C 56 71.303 71.303 70.995 0.308 17879 2288 1 4 . 1 1 57 57 THR H H 56 8.476 8.476 8.181 0.295 17879 2289 1 4 . 1 1 58 58 VAL N N 57 122.331 122.331 119.951 2.380 17879 2290 1 4 . 1 1 58 58 VAL HA H 57 3.738 3.738 4.006 -0.268 17879 2291 1 4 . 1 1 58 58 VAL C C 57 178.743 178.743 177.659 1.084 17879 2292 1 4 . 1 1 58 58 VAL CA C 57 66.797 66.797 66.376 0.421 17879 2293 1 4 . 1 1 58 58 VAL CB C 57 31.801 31.801 31.845 -0.044 17879 2294 1 4 . 1 1 58 58 VAL H H 57 8.806 8.806 8.022 0.784 17879 2295 1 4 . 1 1 59 59 GLY N N 58 105.470 105.470 104.967 0.503 17879 2296 1 4 . 1 1 59 59 GLY C C 58 176.924 176.924 175.969 0.955 17879 2297 1 4 . 1 1 59 59 GLY CA C 58 47.317 47.317 47.053 0.264 17879 2298 1 4 . 1 1 59 59 GLY H H 58 9.381 9.381 8.093 1.288 17879 2299 1 4 . 1 1 60 60 GLN N N 59 121.492 121.492 118.607 2.885 17879 2300 1 4 . 1 1 60 60 GLN HA H 59 4.166 4.166 4.443 -0.277 17879 2301 1 4 . 1 1 60 60 GLN C C 59 178.605 178.605 177.375 1.230 17879 2302 1 4 . 1 1 60 60 GLN CA C 59 58.764 58.764 56.787 1.977 17879 2303 1 4 . 1 1 60 60 GLN CB C 59 29.129 29.129 29.320 -0.191 17879 2304 1 4 . 1 1 60 60 GLN H H 59 8.027 8.027 7.704 0.323 17879 2305 1 4 . 1 1 61 61 PHE N N 60 122.595 122.595 121.279 1.316 17879 2306 1 4 . 1 1 61 61 PHE HA H 60 4.291 4.291 4.300 -0.009 17879 2307 1 4 . 1 1 61 61 PHE C C 60 176.690 176.690 177.160 -0.470 17879 2308 1 4 . 1 1 61 61 PHE CA C 60 61.502 61.502 60.282 1.220 17879 2309 1 4 . 1 1 61 61 PHE CB C 60 39.155 39.155 39.364 -0.209 17879 2310 1 4 . 1 1 61 61 PHE H H 60 8.522 8.522 7.972 0.550 17879 2311 1 4 . 1 1 62 62 VAL N N 61 118.720 118.720 119.874 -1.154 17879 2312 1 4 . 1 1 62 62 VAL HA H 61 3.070 3.070 3.145 -0.075 17879 2313 1 4 . 1 1 62 62 VAL C C 61 176.872 176.872 176.760 0.112 17879 2314 1 4 . 1 1 62 62 VAL CA C 61 67.040 67.040 66.680 0.361 17879 2315 1 4 . 1 1 62 62 VAL CB C 61 31.119 31.119 31.268 -0.149 17879 2316 1 4 . 1 1 62 62 VAL H H 61 8.705 8.705 8.276 0.429 17879 2317 1 4 . 1 1 63 63 TYR N N 62 118.462 118.462 118.554 -0.092 17879 2318 1 4 . 1 1 63 63 TYR HA H 62 3.987 3.987 4.070 -0.083 17879 2319 1 4 . 1 1 63 63 TYR C C 62 177.325 177.325 175.920 1.405 17879 2320 1 4 . 1 1 63 63 TYR CA C 62 61.685 61.685 60.290 1.395 17879 2321 1 4 . 1 1 63 63 TYR CB C 62 37.906 37.906 37.706 0.200 17879 2322 1 4 . 1 1 63 63 TYR H H 62 7.373 7.373 8.155 -0.782 17879 2323 1 4 . 1 1 64 64 VAL N N 63 119.137 119.137 116.359 2.778 17879 2324 1 4 . 1 1 64 64 VAL HA H 63 3.342 3.342 3.221 0.121 17879 2325 1 4 . 1 1 64 64 VAL C C 63 178.326 178.326 177.458 0.868 17879 2326 1 4 . 1 1 64 64 VAL CA C 63 66.615 66.615 64.381 2.234 17879 2327 1 4 . 1 1 64 64 VAL CB C 63 31.157 31.157 31.980 -0.823 17879 2328 1 4 . 1 1 64 64 VAL H H 63 7.376 7.376 7.401 -0.025 17879 2329 1 4 . 1 1 65 65 ILE N N 64 118.858 118.858 121.406 -2.548 17879 2330 1 4 . 1 1 65 65 ILE HA H 64 3.279 3.279 3.614 -0.335 17879 2331 1 4 . 1 1 65 65 ILE C C 64 177.653 177.653 178.283 -0.630 17879 2332 1 4 . 1 1 65 65 ILE CA C 64 63.682 63.682 62.433 1.249 17879 2333 1 4 . 1 1 65 65 ILE CB C 64 36.150 36.150 36.193 -0.043 17879 2334 1 4 . 1 1 65 65 ILE H H 64 7.366 7.366 7.549 -0.183 17879 2335 1 4 . 1 1 66 66 ARG N N 65 118.729 118.729 118.590 0.139 17879 2336 1 4 . 1 1 66 66 ARG HA H 65 3.397 3.397 3.962 -0.565 17879 2337 1 4 . 1 1 66 66 ARG C C 65 178.284 178.284 177.579 0.705 17879 2338 1 4 . 1 1 66 66 ARG CA C 65 60.078 60.078 58.205 1.873 17879 2339 1 4 . 1 1 66 66 ARG CB C 65 30.022 30.022 29.835 0.187 17879 2340 1 4 . 1 1 66 66 ARG H H 65 8.463 8.463 8.384 0.079 17879 2341 1 4 . 1 1 67 67 LYS N N 66 116.643 116.643 118.117 -1.474 17879 2342 1 4 . 1 1 67 67 LYS HA H 66 3.951 3.951 4.102 -0.151 17879 2343 1 4 . 1 1 67 67 LYS C C 66 178.989 178.989 178.359 0.630 17879 2344 1 4 . 1 1 67 67 LYS CA C 66 58.347 58.347 58.467 -0.120 17879 2345 1 4 . 1 1 67 67 LYS CB C 66 31.938 31.938 32.315 -0.377 17879 2346 1 4 . 1 1 67 67 LYS H H 66 7.536 7.536 7.371 0.165 17879 2347 1 4 . 1 1 68 68 ARG N N 67 119.051 119.051 118.988 0.063 17879 2348 1 4 . 1 1 68 68 ARG HA H 67 4.104 4.104 4.066 0.038 17879 2349 1 4 . 1 1 68 68 ARG C C 67 178.122 178.122 178.214 -0.092 17879 2350 1 4 . 1 1 68 68 ARG CA C 67 58.182 58.182 58.645 -0.463 17879 2351 1 4 . 1 1 68 68 ARG CB C 67 30.273 30.273 30.586 -0.313 17879 2352 1 4 . 1 1 68 68 ARG H H 67 7.783 7.783 7.563 0.220 17879 2353 1 4 . 1 1 69 69 ILE N N 68 112.456 112.456 112.113 0.343 17879 2354 1 4 . 1 1 69 69 ILE HA H 68 4.223 4.223 4.300 -0.077 17879 2355 1 4 . 1 1 69 69 ILE C C 68 174.568 174.568 175.096 -0.528 17879 2356 1 4 . 1 1 69 69 ILE CA C 68 61.502 61.502 60.514 0.988 17879 2357 1 4 . 1 1 69 69 ILE CB C 68 38.643 38.643 38.393 0.250 17879 2358 1 4 . 1 1 69 69 ILE H H 68 7.675 7.675 7.133 0.542 17879 2359 1 4 . 1 1 70 70 MET N N 69 118.509 118.509 114.351 4.158 17879 2360 1 4 . 1 1 70 70 MET HA H 69 3.982 3.982 4.063 -0.081 17879 2361 1 4 . 1 1 70 70 MET C C 69 175.482 175.482 174.945 0.537 17879 2362 1 4 . 1 1 70 70 MET CA C 69 55.811 55.811 56.110 -0.299 17879 2363 1 4 . 1 1 70 70 MET CB C 69 29.392 29.392 30.038 -0.646 17879 2364 1 4 . 1 1 70 70 MET H H 69 7.805 7.805 7.584 0.221 17879 2365 1 4 . 1 1 71 71 LEU N N 70 121.952 121.952 121.218 0.734 17879 2366 1 4 . 1 1 71 71 LEU HA H 70 4.603 4.603 4.255 0.348 17879 2367 1 4 . 1 1 71 71 LEU CA C 70 52.560 52.560 54.522 -1.962 17879 2368 1 4 . 1 1 71 71 LEU CB C 70 44.045 44.045 41.727 2.318 17879 2369 1 4 . 1 1 71 71 LEU H H 70 7.493 7.493 7.447 0.046 17879 2370 1 4 . 1 1 72 72 PRO HA H 71 4.678 4.678 4.804 -0.126 17879 2371 1 4 . 1 1 72 72 PRO CA C 71 62.124 62.124 61.048 1.076 17879 2372 1 4 . 1 1 72 72 PRO CB C 71 31.307 31.307 31.067 0.240 17879 2373 1 4 . 1 1 73 73 PRO HA H 72 4.123 4.123 4.388 -0.265 17879 2374 1 4 . 1 1 73 73 PRO C C 72 177.052 177.052 176.657 0.395 17879 2375 1 4 . 1 1 73 73 PRO CA C 72 64.924 64.924 64.222 0.702 17879 2376 1 4 . 1 1 73 73 PRO CB C 72 32.049 32.049 32.063 -0.014 17879 2377 1 4 . 1 1 74 74 GLU N N 73 115.091 115.091 116.456 -1.365 17879 2378 1 4 . 1 1 74 74 GLU HA H 73 4.181 4.181 4.286 -0.105 17879 2379 1 4 . 1 1 74 74 GLU C C 73 176.459 176.459 176.569 -0.110 17879 2380 1 4 . 1 1 74 74 GLU CA C 73 57.774 57.774 56.685 1.089 17879 2381 1 4 . 1 1 74 74 GLU CB C 73 28.321 28.321 29.017 -0.696 17879 2382 1 4 . 1 1 74 74 GLU H H 73 9.065 9.065 8.678 0.387 17879 2383 1 4 . 1 1 75 75 LYS N N 74 121.755 121.755 119.339 2.416 17879 2384 1 4 . 1 1 75 75 LYS HA H 74 4.520 4.520 4.540 -0.020 17879 2385 1 4 . 1 1 75 75 LYS C C 74 174.789 174.789 174.570 0.219 17879 2386 1 4 . 1 1 75 75 LYS CA C 74 54.789 54.789 54.934 -0.145 17879 2387 1 4 . 1 1 75 75 LYS CB C 74 32.882 32.882 35.371 -2.489 17879 2388 1 4 . 1 1 75 75 LYS H H 74 7.797 7.797 7.489 0.308 17879 2389 1 4 . 1 1 76 76 ALA N N 75 127.848 127.848 121.580 6.268 17879 2390 1 4 . 1 1 76 76 ALA HA H 75 4.072 4.072 4.688 -0.616 17879 2391 1 4 . 1 1 76 76 ALA C C 75 175.710 175.710 174.906 0.804 17879 2392 1 4 . 1 1 76 76 ALA CA C 75 52.226 52.226 50.638 1.588 17879 2393 1 4 . 1 1 76 76 ALA CB C 75 20.956 20.956 21.551 -0.595 17879 2394 1 4 . 1 1 76 76 ALA H H 75 8.410 8.410 8.330 0.080 17879 2395 1 4 . 1 1 77 77 ILE N N 76 114.298 114.298 119.052 -4.754 17879 2396 1 4 . 1 1 77 77 ILE HA H 76 4.593 4.593 4.731 -0.138 17879 2397 1 4 . 1 1 77 77 ILE C C 76 172.379 172.379 173.486 -1.107 17879 2398 1 4 . 1 1 77 77 ILE CA C 76 59.699 59.699 60.875 -1.176 17879 2399 1 4 . 1 1 77 77 ILE CB C 76 41.218 41.218 41.486 -0.268 17879 2400 1 4 . 1 1 77 77 ILE H H 76 7.193 7.193 7.633 -0.440 17879 2401 1 4 . 1 1 78 78 PHE N N 77 124.094 124.094 125.309 -1.215 17879 2402 1 4 . 1 1 78 78 PHE HA H 77 4.556 4.556 4.896 -0.340 17879 2403 1 4 . 1 1 78 78 PHE C C 77 174.359 174.359 174.624 -0.265 17879 2404 1 4 . 1 1 78 78 PHE CA C 77 56.596 56.596 56.412 0.184 17879 2405 1 4 . 1 1 78 78 PHE CB C 77 42.370 42.370 42.537 -0.167 17879 2406 1 4 . 1 1 78 78 PHE H H 77 8.931 8.931 8.829 0.102 17879 2407 1 4 . 1 1 79 79 ILE N N 78 117.724 117.724 122.053 -4.329 17879 2408 1 4 . 1 1 79 79 ILE HA H 78 5.233 5.233 4.306 0.927 17879 2409 1 4 . 1 1 79 79 ILE C C 78 173.334 173.334 174.479 -1.145 17879 2410 1 4 . 1 1 79 79 ILE CA C 78 58.130 58.130 60.632 -2.502 17879 2411 1 4 . 1 1 79 79 ILE CB C 78 39.360 39.360 37.391 1.969 17879 2412 1 4 . 1 1 79 79 ILE H H 78 8.025 8.025 8.838 -0.813 17879 2413 1 4 . 1 1 80 80 PHE N N 79 121.084 121.084 127.692 -6.608 17879 2414 1 4 . 1 1 80 80 PHE HA H 79 5.365 5.365 4.823 0.542 17879 2415 1 4 . 1 1 80 80 PHE C C 79 176.270 176.270 174.311 1.959 17879 2416 1 4 . 1 1 80 80 PHE CA C 79 55.948 55.948 56.834 -0.886 17879 2417 1 4 . 1 1 80 80 PHE CB C 79 42.763 42.763 41.560 1.203 17879 2418 1 4 . 1 1 80 80 PHE H H 79 9.210 9.210 9.045 0.165 17879 2419 1 4 . 1 1 81 81 VAL N N 80 117.974 117.974 123.775 -5.801 17879 2420 1 4 . 1 1 81 81 VAL HA H 80 4.520 4.520 4.482 0.038 17879 2421 1 4 . 1 1 81 81 VAL C C 80 175.699 175.699 175.611 0.088 17879 2422 1 4 . 1 1 81 81 VAL CA C 80 60.484 60.484 61.688 -1.204 17879 2423 1 4 . 1 1 81 81 VAL CB C 80 34.263 34.263 32.533 1.730 17879 2424 1 4 . 1 1 81 81 VAL H H 80 8.832 8.832 8.127 0.705 17879 2425 1 4 . 1 1 82 82 ASN N N 81 127.615 127.615 125.735 1.880 17879 2426 1 4 . 1 1 82 82 ASN HA H 81 4.339 4.339 4.441 -0.102 17879 2427 1 4 . 1 1 82 82 ASN C C 81 174.036 174.036 174.204 -0.168 17879 2428 1 4 . 1 1 82 82 ASN CA C 81 55.231 55.231 54.335 0.896 17879 2429 1 4 . 1 1 82 82 ASN CB C 81 37.408 37.408 37.616 -0.208 17879 2430 1 4 . 1 1 82 82 ASN H H 81 9.689 9.689 9.292 0.397 17879 2431 1 4 . 1 1 83 83 ASP N N 82 112.699 112.699 111.608 1.091 17879 2432 1 4 . 1 1 83 83 ASP HA H 82 4.135 4.135 4.300 -0.165 17879 2433 1 4 . 1 1 83 83 ASP C C 82 174.560 174.560 174.745 -0.185 17879 2434 1 4 . 1 1 83 83 ASP CA C 82 55.638 55.638 55.480 0.159 17879 2435 1 4 . 1 1 83 83 ASP CB C 82 39.564 39.564 39.435 0.129 17879 2436 1 4 . 1 1 83 83 ASP H H 82 8.772 8.772 8.523 0.249 17879 2437 1 4 . 1 1 84 84 THR N N 83 112.567 112.567 114.896 -2.329 17879 2438 1 4 . 1 1 84 84 THR HA H 83 4.715 4.715 4.660 0.055 17879 2439 1 4 . 1 1 84 84 THR C C 83 172.200 172.200 173.635 -1.435 17879 2440 1 4 . 1 1 84 84 THR CA C 83 60.868 60.868 61.711 -0.843 17879 2441 1 4 . 1 1 84 84 THR CB C 83 72.206 72.206 70.751 1.456 17879 2442 1 4 . 1 1 84 84 THR H H 83 8.080 8.080 7.485 0.595 17879 2443 1 4 . 1 1 85 85 LEU N N 84 125.810 125.810 131.005 -5.195 17879 2444 1 4 . 1 1 85 85 LEU HA H 84 5.127 5.127 4.686 0.441 17879 2445 1 4 . 1 1 85 85 LEU CA C 84 51.927 51.927 52.958 -1.030 17879 2446 1 4 . 1 1 85 85 LEU CB C 84 42.779 42.779 42.068 0.711 17879 2447 1 4 . 1 1 85 85 LEU H H 84 8.520 8.520 8.687 -0.167 17879 2448 1 4 . 1 1 86 86 PRO HA H 85 4.835 4.835 4.745 0.090 17879 2449 1 4 . 1 1 86 86 PRO CA C 85 60.910 60.910 61.252 -0.342 17879 2450 1 4 . 1 1 86 86 PRO CB C 85 30.852 30.852 31.085 -0.233 17879 2451 1 4 . 1 1 87 87 PRO HA H 86 4.577 4.577 4.527 0.050 17879 2452 1 4 . 1 1 87 87 PRO C C 86 177.830 177.830 176.750 1.080 17879 2453 1 4 . 1 1 87 87 PRO CA C 86 62.424 62.424 62.475 -0.051 17879 2454 1 4 . 1 1 87 87 PRO CB C 86 31.910 31.910 32.201 -0.291 17879 2455 1 4 . 1 1 88 88 THR N N 87 114.642 114.642 107.644 6.998 17879 2456 1 4 . 1 1 88 88 THR HA H 87 3.802 3.802 4.357 -0.555 17879 2457 1 4 . 1 1 88 88 THR C C 87 175.702 175.702 175.909 -0.207 17879 2458 1 4 . 1 1 88 88 THR CA C 87 65.079 65.079 64.242 0.837 17879 2459 1 4 . 1 1 88 88 THR CB C 87 68.818 68.818 69.027 -0.209 17879 2460 1 4 . 1 1 88 88 THR H H 87 8.291 8.291 8.069 0.222 17879 2461 1 4 . 1 1 89 89 ALA N N 88 119.706 119.706 122.967 -3.261 17879 2462 1 4 . 1 1 89 89 ALA HA H 88 4.420 4.420 4.329 0.091 17879 2463 1 4 . 1 1 89 89 ALA C C 88 177.690 177.690 178.153 -0.463 17879 2464 1 4 . 1 1 89 89 ALA CA C 88 52.118 52.118 52.332 -0.214 17879 2465 1 4 . 1 1 89 89 ALA CB C 88 19.334 19.334 17.471 1.863 17879 2466 1 4 . 1 1 89 89 ALA H H 88 8.031 8.031 8.125 -0.094 17879 2467 1 4 . 1 1 90 90 ALA N N 89 120.388 120.388 122.181 -1.793 17879 2468 1 4 . 1 1 90 90 ALA HA H 89 4.179 4.179 4.252 -0.073 17879 2469 1 4 . 1 1 90 90 ALA C C 89 176.520 176.520 176.504 0.016 17879 2470 1 4 . 1 1 90 90 ALA CA C 89 52.454 52.454 51.043 1.411 17879 2471 1 4 . 1 1 90 90 ALA CB C 89 19.301 19.301 17.011 2.290 17879 2472 1 4 . 1 1 90 90 ALA H H 89 7.465 7.465 8.123 -0.658 17879 2473 1 4 . 1 1 91 91 LEU N N 90 119.307 119.307 122.348 -3.041 17879 2474 1 4 . 1 1 91 91 LEU HA H 90 4.490 4.490 3.965 0.525 17879 2475 1 4 . 1 1 91 91 LEU C C 90 179.555 179.555 177.932 1.623 17879 2476 1 4 . 1 1 91 91 LEU CA C 90 54.578 54.578 56.042 -1.464 17879 2477 1 4 . 1 1 91 91 LEU CB C 90 42.689 42.689 41.658 1.031 17879 2478 1 4 . 1 1 91 91 LEU H H 90 8.458 8.458 8.437 0.021 17879 2479 1 4 . 1 1 92 92 MET N N 91 121.586 121.586 124.612 -3.026 17879 2480 1 4 . 1 1 92 92 MET HA H 91 4.231 4.231 3.858 0.373 17879 2481 1 4 . 1 1 92 92 MET C C 91 178.860 178.860 178.470 0.390 17879 2482 1 4 . 1 1 92 92 MET CA C 91 56.938 56.938 59.330 -2.392 17879 2483 1 4 . 1 1 92 92 MET CB C 91 29.372 29.372 31.618 -2.246 17879 2484 1 4 . 1 1 92 92 MET H H 91 9.203 9.203 8.428 0.775 17879 2485 1 4 . 1 1 93 93 SER N N 92 112.826 112.826 115.032 -2.206 17879 2486 1 4 . 1 1 93 93 SER HA H 92 3.978 3.978 4.142 -0.164 17879 2487 1 4 . 1 1 93 93 SER C C 92 176.318 176.318 176.315 0.003 17879 2488 1 4 . 1 1 93 93 SER CA C 92 60.871 60.871 61.438 -0.567 17879 2489 1 4 . 1 1 93 93 SER CB C 92 61.575 61.575 62.955 -1.380 17879 2490 1 4 . 1 1 93 93 SER H H 92 8.717 8.717 8.366 0.351 17879 2491 1 4 . 1 1 94 94 ALA N N 93 126.735 126.735 123.655 3.080 17879 2492 1 4 . 1 1 94 94 ALA HA H 93 4.357 4.357 4.142 0.215 17879 2493 1 4 . 1 1 94 94 ALA C C 93 180.789 180.789 179.101 1.688 17879 2494 1 4 . 1 1 94 94 ALA CA C 93 54.841 54.841 54.473 0.368 17879 2495 1 4 . 1 1 94 94 ALA CB C 93 18.603 18.603 18.456 0.147 17879 2496 1 4 . 1 1 94 94 ALA H H 93 7.058 7.058 7.946 -0.888 17879 2497 1 4 . 1 1 95 95 ILE N N 94 118.720 118.720 116.726 1.994 17879 2498 1 4 . 1 1 95 95 ILE HA H 94 4.063 4.063 3.898 0.165 17879 2499 1 4 . 1 1 95 95 ILE C C 94 178.326 178.326 177.105 1.221 17879 2500 1 4 . 1 1 95 95 ILE CA C 94 62.755 62.755 62.614 0.141 17879 2501 1 4 . 1 1 95 95 ILE CB C 94 36.410 36.410 38.190 -1.780 17879 2502 1 4 . 1 1 95 95 ILE H H 94 7.872 7.872 7.725 0.147 17879 2503 1 4 . 1 1 96 96 TYR N N 95 120.697 120.697 119.804 0.893 17879 2504 1 4 . 1 1 96 96 TYR HA H 95 4.007 4.007 4.229 -0.222 17879 2505 1 4 . 1 1 96 96 TYR C C 95 176.022 176.022 175.759 0.263 17879 2506 1 4 . 1 1 96 96 TYR CA C 95 62.187 62.187 59.782 2.405 17879 2507 1 4 . 1 1 96 96 TYR CB C 95 39.093 39.093 38.692 0.401 17879 2508 1 4 . 1 1 96 96 TYR H H 95 8.841 8.841 8.364 0.477 17879 2509 1 4 . 1 1 97 97 GLN N N 96 114.982 114.982 117.717 -2.735 17879 2510 1 4 . 1 1 97 97 GLN HA H 96 3.778 3.778 4.102 -0.324 17879 2511 1 4 . 1 1 97 97 GLN C C 96 177.250 177.250 175.915 1.335 17879 2512 1 4 . 1 1 97 97 GLN CA C 96 58.719 58.719 56.265 2.454 17879 2513 1 4 . 1 1 97 97 GLN CB C 96 28.286 28.286 29.381 -1.095 17879 2514 1 4 . 1 1 97 97 GLN H H 96 7.757 7.757 7.735 0.022 17879 2515 1 4 . 1 1 98 98 GLU N N 97 114.340 114.340 117.392 -3.052 17879 2516 1 4 . 1 1 98 98 GLU HA H 97 4.099 4.099 4.318 -0.219 17879 2517 1 4 . 1 1 98 98 GLU C C 97 178.140 178.140 176.965 1.175 17879 2518 1 4 . 1 1 98 98 GLU CA C 97 57.886 57.886 56.629 1.257 17879 2519 1 4 . 1 1 98 98 GLU CB C 97 31.589 31.589 31.160 0.429 17879 2520 1 4 . 1 1 98 98 GLU H H 97 7.117 7.117 7.539 -0.422 17879 2521 1 4 . 1 1 99 99 HIS N N 98 113.377 113.377 116.994 -3.617 17879 2522 1 4 . 1 1 99 99 HIS HA H 98 4.829 4.829 4.854 -0.025 17879 2523 1 4 . 1 1 99 99 HIS C C 98 175.856 175.856 174.061 1.795 17879 2524 1 4 . 1 1 99 99 HIS CA C 98 56.738 56.738 54.473 2.265 17879 2525 1 4 . 1 1 99 99 HIS CB C 98 32.930 32.930 31.493 1.437 17879 2526 1 4 . 1 1 99 99 HIS H H 98 8.247 8.247 7.893 0.354 17879 2527 1 4 . 1 1 100 100 LYS N N 99 120.905 120.905 119.604 1.301 17879 2528 1 4 . 1 1 100 100 LYS HA H 99 3.994 3.994 4.210 -0.216 17879 2529 1 4 . 1 1 100 100 LYS C C 99 174.832 174.832 176.095 -1.263 17879 2530 1 4 . 1 1 100 100 LYS CA C 99 57.693 57.693 56.285 1.407 17879 2531 1 4 . 1 1 100 100 LYS CB C 99 31.703 31.703 32.575 -0.873 17879 2532 1 4 . 1 1 100 100 LYS H H 99 8.065 8.065 7.569 0.496 17879 2533 1 4 . 1 1 101 101 ASP N N 100 124.188 124.188 120.938 3.250 17879 2534 1 4 . 1 1 101 101 ASP HA H 100 4.765 4.765 4.931 -0.166 17879 2535 1 4 . 1 1 101 101 ASP C C 100 177.692 177.692 176.526 1.166 17879 2536 1 4 . 1 1 101 101 ASP CA C 100 54.030 54.030 51.996 2.034 17879 2537 1 4 . 1 1 101 101 ASP CB C 100 43.429 43.429 43.715 -0.286 17879 2538 1 4 . 1 1 101 101 ASP H H 100 9.027 9.027 8.147 0.880 17879 2539 1 4 . 1 1 102 102 LYS N N 101 125.898 125.898 119.252 6.646 17879 2540 1 4 . 1 1 102 102 LYS HA H 101 4.239 4.239 4.172 0.067 17879 2541 1 4 . 1 1 102 102 LYS C C 101 178.053 178.053 177.536 0.517 17879 2542 1 4 . 1 1 102 102 LYS CA C 101 59.482 59.482 59.465 0.017 17879 2543 1 4 . 1 1 102 102 LYS CB C 101 32.821 32.821 32.605 0.216 17879 2544 1 4 . 1 1 102 102 LYS H H 101 8.678 8.678 8.891 -0.213 17879 2545 1 4 . 1 1 103 103 ASP N N 102 119.326 119.326 114.812 4.514 17879 2546 1 4 . 1 1 103 103 ASP HA H 102 4.127 4.127 4.481 -0.354 17879 2547 1 4 . 1 1 103 103 ASP C C 102 176.833 176.833 177.276 -0.443 17879 2548 1 4 . 1 1 103 103 ASP CA C 102 54.666 54.666 54.770 -0.104 17879 2549 1 4 . 1 1 103 103 ASP CB C 102 39.848 39.848 40.165 -0.317 17879 2550 1 4 . 1 1 103 103 ASP H H 102 10.276 10.276 8.700 1.576 17879 2551 1 4 . 1 1 104 104 GLY N N 103 106.059 106.059 106.267 -0.208 17879 2552 1 4 . 1 1 104 104 GLY C C 103 174.655 174.655 174.541 0.114 17879 2553 1 4 . 1 1 104 104 GLY CA C 103 45.319 45.319 45.169 0.150 17879 2554 1 4 . 1 1 104 104 GLY H H 103 8.173 8.173 7.851 0.322 17879 2555 1 4 . 1 1 105 105 PHE N N 104 121.781 121.781 122.110 -0.329 17879 2556 1 4 . 1 1 105 105 PHE HA H 104 4.682 4.682 4.393 0.289 17879 2557 1 4 . 1 1 105 105 PHE C C 104 174.830 174.830 175.830 -1.000 17879 2558 1 4 . 1 1 105 105 PHE CA C 104 59.377 59.377 59.737 -0.360 17879 2559 1 4 . 1 1 105 105 PHE CB C 104 39.938 39.938 39.425 0.513 17879 2560 1 4 . 1 1 105 105 PHE H H 104 9.600 9.600 8.234 1.366 17879 2561 1 4 . 1 1 106 106 LEU N N 105 119.929 119.929 121.083 -1.154 17879 2562 1 4 . 1 1 106 106 LEU HA H 105 4.897 4.897 4.598 0.299 17879 2563 1 4 . 1 1 106 106 LEU C C 105 173.947 173.947 176.226 -2.279 17879 2564 1 4 . 1 1 106 106 LEU CA C 105 53.463 53.463 54.369 -0.906 17879 2565 1 4 . 1 1 106 106 LEU CB C 105 45.066 45.066 43.889 1.177 17879 2566 1 4 . 1 1 106 106 LEU H H 105 8.376 8.376 7.922 0.454 17879 2567 1 4 . 1 1 107 107 TYR N N 106 127.637 127.637 119.419 8.218 17879 2568 1 4 . 1 1 107 107 TYR HA H 106 4.992 4.992 5.169 -0.177 17879 2569 1 4 . 1 1 107 107 TYR C C 106 176.099 176.099 175.063 1.036 17879 2570 1 4 . 1 1 107 107 TYR CA C 106 58.893 58.893 57.595 1.298 17879 2571 1 4 . 1 1 107 107 TYR CB C 106 38.140 38.140 40.153 -2.013 17879 2572 1 4 . 1 1 107 107 TYR H H 106 9.124 9.124 8.773 0.351 17879 2573 1 4 . 1 1 108 108 VAL N N 107 121.630 121.630 120.192 1.438 17879 2574 1 4 . 1 1 108 108 VAL HA H 107 5.135 5.135 5.044 0.091 17879 2575 1 4 . 1 1 108 108 VAL C C 107 175.722 175.722 174.651 1.071 17879 2576 1 4 . 1 1 108 108 VAL CA C 107 59.587 59.587 59.121 0.466 17879 2577 1 4 . 1 1 108 108 VAL CB C 107 34.787 34.787 35.062 -0.275 17879 2578 1 4 . 1 1 108 108 VAL H H 107 9.560 9.560 8.825 0.735 17879 2579 1 4 . 1 1 109 109 THR N N 108 119.845 119.845 114.709 5.136 17879 2580 1 4 . 1 1 109 109 THR HA H 108 6.155 6.155 5.138 1.017 17879 2581 1 4 . 1 1 109 109 THR C C 108 174.158 174.158 173.859 0.299 17879 2582 1 4 . 1 1 109 109 THR CA C 108 59.869 59.869 62.242 -2.373 17879 2583 1 4 . 1 1 109 109 THR CB C 108 72.268 72.268 70.512 1.756 17879 2584 1 4 . 1 1 109 109 THR H H 108 9.061 9.061 8.340 0.721 17879 2585 1 4 . 1 1 110 110 TYR N N 109 119.706 119.706 126.348 -6.642 17879 2586 1 4 . 1 1 110 110 TYR HA H 109 6.332 6.332 5.794 0.538 17879 2587 1 4 . 1 1 110 110 TYR C C 109 173.366 173.366 174.349 -0.983 17879 2588 1 4 . 1 1 110 110 TYR CA C 109 54.655 54.655 54.913 -0.258 17879 2589 1 4 . 1 1 110 110 TYR CB C 109 42.250 42.250 39.600 2.650 17879 2590 1 4 . 1 1 110 110 TYR H H 109 8.461 8.461 9.420 -0.959 17879 2591 1 4 . 1 1 111 111 SER N N 110 112.907 112.907 120.064 -7.157 17879 2592 1 4 . 1 1 111 111 SER HA H 110 4.745 4.745 4.770 -0.025 17879 2593 1 4 . 1 1 111 111 SER C C 110 173.692 173.692 174.941 -1.249 17879 2594 1 4 . 1 1 111 111 SER CA C 110 56.044 56.044 56.409 -0.365 17879 2595 1 4 . 1 1 111 111 SER CB C 110 66.177 66.177 67.094 -0.917 17879 2596 1 4 . 1 1 111 111 SER H H 110 9.089 9.089 8.728 0.361 17879 2597 1 4 . 1 1 112 112 GLY N N 111 111.054 111.054 110.686 0.368 17879 2598 1 4 . 1 1 112 112 GLY C C 111 173.331 173.331 173.899 -0.568 17879 2599 1 4 . 1 1 112 112 GLY CA C 111 45.341 45.341 46.390 -1.049 17879 2600 1 4 . 1 1 112 112 GLY H H 111 8.443 8.443 9.052 -0.609 17879 2601 1 4 . 1 1 113 113 GLU N N 112 118.801 118.801 120.201 -1.400 17879 2602 1 4 . 1 1 113 113 GLU HA H 112 4.660 4.660 4.570 0.090 17879 2603 1 4 . 1 1 113 113 GLU C C 112 174.538 174.538 176.048 -1.510 17879 2604 1 4 . 1 1 113 113 GLU CA C 112 55.642 55.642 54.815 0.827 17879 2605 1 4 . 1 1 113 113 GLU CB C 112 32.930 32.930 31.055 1.875 17879 2606 1 4 . 1 1 113 113 GLU H H 112 8.413 8.413 7.858 0.555 17879 2607 1 4 . 1 1 114 114 ASN N N 113 118.152 118.152 120.455 -2.303 17879 2608 1 4 . 1 1 114 114 ASN HA H 113 4.187 4.187 4.632 -0.445 17879 2609 1 4 . 1 1 114 114 ASN C C 113 175.011 175.011 174.324 0.687 17879 2610 1 4 . 1 1 114 114 ASN CA C 113 51.910 51.910 52.523 -0.613 17879 2611 1 4 . 1 1 114 114 ASN CB C 113 36.865 36.865 37.083 -0.218 17879 2612 1 4 . 1 1 114 114 ASN H H 113 8.207 8.207 8.874 -0.667 17879 2613 1 4 . 1 1 115 115 THR N N 114 112.887 112.887 116.048 -3.161 17879 2614 1 4 . 1 1 115 115 THR HA H 114 4.190 4.190 4.566 -0.376 17879 2615 1 4 . 1 1 115 115 THR C C 114 173.575 173.575 172.874 0.701 17879 2616 1 4 . 1 1 115 115 THR CA C 114 61.149 61.149 60.667 0.482 17879 2617 1 4 . 1 1 115 115 THR CB C 114 69.859 69.859 70.318 -0.459 17879 2618 1 4 . 1 1 115 115 THR H H 114 7.411 7.411 7.668 -0.257 17879 2619 1 4 . 1 1 116 116 PHE N N 115 121.474 121.474 117.866 3.608 17879 2620 1 4 . 1 1 116 116 PHE HA H 115 4.451 4.451 4.321 0.130 17879 2621 1 4 . 1 1 116 116 PHE C C 115 175.078 175.078 174.345 0.733 17879 2622 1 4 . 1 1 116 116 PHE CA C 115 57.681 57.681 55.847 1.833 17879 2623 1 4 . 1 1 116 116 PHE CB C 115 39.569 39.569 38.340 1.229 17879 2624 1 4 . 1 1 116 116 PHE H H 115 8.021 8.021 7.522 0.499 17879 2625 1 5 . 1 1 2 2 MET N N 1 122.410 122.410 120.325 2.085 17879 2626 1 5 . 1 1 2 2 MET HA H 1 4.455 4.455 4.578 -0.123 17879 2627 1 5 . 1 1 2 2 MET C C 1 175.655 175.655 176.764 -1.109 17879 2628 1 5 . 1 1 2 2 MET CA C 1 55.438 55.438 55.203 0.235 17879 2629 1 5 . 1 1 2 2 MET CB C 1 33.126 33.126 34.230 -1.104 17879 2630 1 5 . 1 1 2 2 MET H H 1 8.425 8.425 8.287 0.139 17879 2631 1 5 . 1 1 3 3 LYS N N 2 123.656 123.656 118.884 4.772 17879 2632 1 5 . 1 1 3 3 LYS HA H 2 4.326 4.326 4.531 -0.205 17879 2633 1 5 . 1 1 3 3 LYS C C 2 176.266 176.266 176.338 -0.072 17879 2634 1 5 . 1 1 3 3 LYS CA C 2 56.348 56.348 56.217 0.131 17879 2635 1 5 . 1 1 3 3 LYS CB C 2 33.219 33.219 33.583 -0.364 17879 2636 1 5 . 1 1 3 3 LYS H H 2 8.512 8.512 8.426 0.086 17879 2637 1 5 . 1 1 4 4 SER N N 3 118.350 118.350 115.383 2.967 17879 2638 1 5 . 1 1 4 4 SER HA H 3 4.631 4.631 4.467 0.164 17879 2639 1 5 . 1 1 4 4 SER C C 3 175.421 175.421 174.027 1.394 17879 2640 1 5 . 1 1 4 4 SER CA C 3 57.629 57.629 58.322 -0.693 17879 2641 1 5 . 1 1 4 4 SER CB C 3 64.079 64.079 64.396 -0.317 17879 2642 1 5 . 1 1 4 4 SER H H 3 8.426 8.426 8.258 0.168 17879 2643 1 5 . 1 1 5 5 THR N N 4 127.775 127.775 110.836 16.939 17879 2644 1 5 . 1 1 5 5 THR HA H 4 4.482 4.482 4.330 0.152 17879 2645 1 5 . 1 1 5 5 THR C C 4 174.680 174.680 175.098 -0.418 17879 2646 1 5 . 1 1 5 5 THR CA C 4 62.001 62.001 63.260 -1.259 17879 2647 1 5 . 1 1 5 5 THR CB C 4 70.137 70.137 69.310 0.827 17879 2648 1 5 . 1 1 5 5 THR H H 4 9.971 9.971 8.169 1.802 17879 2649 1 5 . 1 1 6 6 PHE N N 5 123.021 123.021 120.939 2.082 17879 2650 1 5 . 1 1 6 6 PHE HA H 5 4.125 4.125 4.144 -0.019 17879 2651 1 5 . 1 1 6 6 PHE C C 5 177.064 177.064 175.959 1.105 17879 2652 1 5 . 1 1 6 6 PHE CA C 5 63.041 63.041 60.963 2.078 17879 2653 1 5 . 1 1 6 6 PHE CB C 5 40.828 40.828 39.213 1.615 17879 2654 1 5 . 1 1 6 6 PHE H H 5 8.863 8.863 8.349 0.514 17879 2655 1 5 . 1 1 7 7 LYS N N 6 114.006 114.006 114.875 -0.869 17879 2656 1 5 . 1 1 7 7 LYS HA H 6 3.916 3.916 3.975 -0.059 17879 2657 1 5 . 1 1 7 7 LYS C C 6 177.535 177.535 176.901 0.634 17879 2658 1 5 . 1 1 7 7 LYS CA C 6 60.026 60.026 57.180 2.846 17879 2659 1 5 . 1 1 7 7 LYS CB C 6 33.611 33.611 32.341 1.270 17879 2660 1 5 . 1 1 7 7 LYS H H 6 8.661 8.661 8.214 0.447 17879 2661 1 5 . 1 1 8 8 SER N N 7 111.149 111.149 113.013 -1.864 17879 2662 1 5 . 1 1 8 8 SER HA H 7 4.275 4.275 4.306 -0.031 17879 2663 1 5 . 1 1 8 8 SER C C 7 175.689 175.689 175.351 0.338 17879 2664 1 5 . 1 1 8 8 SER CA C 7 60.007 60.007 59.480 0.527 17879 2665 1 5 . 1 1 8 8 SER CB C 7 63.759 63.759 62.783 0.976 17879 2666 1 5 . 1 1 8 8 SER H H 7 7.552 7.552 7.805 -0.253 17879 2667 1 5 . 1 1 9 9 GLU N N 8 122.296 122.296 119.884 2.412 17879 2668 1 5 . 1 1 9 9 GLU HA H 8 3.818 3.818 4.040 -0.222 17879 2669 1 5 . 1 1 9 9 GLU C C 8 176.068 176.068 176.026 0.042 17879 2670 1 5 . 1 1 9 9 GLU CA C 8 58.137 58.137 58.009 0.128 17879 2671 1 5 . 1 1 9 9 GLU CB C 8 30.965 30.965 30.634 0.331 17879 2672 1 5 . 1 1 9 9 GLU H H 8 7.924 7.924 7.563 0.361 17879 2673 1 5 . 1 1 10 10 TYR N N 9 115.131 115.131 116.015 -0.884 17879 2674 1 5 . 1 1 10 10 TYR HA H 9 5.066 5.066 4.891 0.175 17879 2675 1 5 . 1 1 10 10 TYR CA C 9 53.958 53.958 53.814 0.144 17879 2676 1 5 . 1 1 10 10 TYR CB C 9 41.055 41.055 37.348 3.707 17879 2677 1 5 . 1 1 10 10 TYR H H 9 7.052 7.052 6.886 0.166 17879 2678 1 5 . 1 1 11 11 PRO HA H 10 4.708 4.708 4.666 0.042 17879 2679 1 5 . 1 1 11 11 PRO C C 10 177.384 177.384 177.829 -0.445 17879 2680 1 5 . 1 1 11 11 PRO CA C 10 62.279 62.279 62.132 0.147 17879 2681 1 5 . 1 1 11 11 PRO CB C 10 33.087 33.087 32.817 0.270 17879 2682 1 5 . 1 1 12 12 PHE N N 11 125.307 125.307 124.795 0.512 17879 2683 1 5 . 1 1 12 12 PHE HA H 11 3.883 3.883 3.953 -0.070 17879 2684 1 5 . 1 1 12 12 PHE C C 11 176.157 176.157 177.181 -1.024 17879 2685 1 5 . 1 1 12 12 PHE CA C 11 63.156 63.156 61.980 1.175 17879 2686 1 5 . 1 1 12 12 PHE CB C 11 39.935 39.935 39.009 0.926 17879 2687 1 5 . 1 1 12 12 PHE H H 11 9.385 9.385 8.820 0.565 17879 2688 1 5 . 1 1 13 13 GLU N N 12 115.356 115.356 118.636 -3.280 17879 2689 1 5 . 1 1 13 13 GLU HA H 12 3.857 3.857 3.478 0.379 17879 2690 1 5 . 1 1 13 13 GLU C C 12 179.598 179.598 178.989 0.609 17879 2691 1 5 . 1 1 13 13 GLU CA C 12 60.317 60.317 60.315 0.002 17879 2692 1 5 . 1 1 13 13 GLU CB C 12 28.642 28.642 28.886 -0.244 17879 2693 1 5 . 1 1 13 13 GLU H H 12 9.800 9.800 8.934 0.866 17879 2694 1 5 . 1 1 14 14 LYS N N 13 118.194 118.194 118.614 -0.420 17879 2695 1 5 . 1 1 14 14 LYS HA H 13 4.246 4.246 3.836 0.410 17879 2696 1 5 . 1 1 14 14 LYS C C 13 178.804 178.804 179.233 -0.429 17879 2697 1 5 . 1 1 14 14 LYS CA C 13 58.143 58.143 59.072 -0.929 17879 2698 1 5 . 1 1 14 14 LYS CB C 13 32.770 32.770 32.048 0.722 17879 2699 1 5 . 1 1 14 14 LYS H H 13 7.160 7.160 7.851 -0.691 17879 2700 1 5 . 1 1 15 15 ARG N N 14 120.949 120.949 118.175 2.774 17879 2701 1 5 . 1 1 15 15 ARG HA H 14 3.892 3.892 3.962 -0.070 17879 2702 1 5 . 1 1 15 15 ARG C C 14 176.858 176.858 178.375 -1.517 17879 2703 1 5 . 1 1 15 15 ARG CA C 14 61.520 61.520 59.289 2.231 17879 2704 1 5 . 1 1 15 15 ARG CB C 14 32.840 32.840 30.056 2.784 17879 2705 1 5 . 1 1 15 15 ARG H H 14 7.686 7.686 8.072 -0.386 17879 2706 1 5 . 1 1 16 16 LYS N N 15 119.224 119.224 121.177 -1.953 17879 2707 1 5 . 1 1 16 16 LYS HA H 15 4.449 4.449 4.178 0.271 17879 2708 1 5 . 1 1 16 16 LYS C C 15 177.796 177.796 178.893 -1.097 17879 2709 1 5 . 1 1 16 16 LYS CA C 15 57.366 57.366 59.131 -1.765 17879 2710 1 5 . 1 1 16 16 LYS CB C 15 32.529 32.529 31.805 0.724 17879 2711 1 5 . 1 1 16 16 LYS H H 15 8.667 8.667 7.562 1.105 17879 2712 1 5 . 1 1 17 17 ALA N N 16 117.777 117.777 120.455 -2.678 17879 2713 1 5 . 1 1 17 17 ALA HA H 16 4.164 4.164 4.113 0.051 17879 2714 1 5 . 1 1 17 17 ALA C C 16 180.641 180.641 179.537 1.104 17879 2715 1 5 . 1 1 17 17 ALA CA C 16 54.627 54.627 54.719 -0.092 17879 2716 1 5 . 1 1 17 17 ALA CB C 16 18.114 18.114 18.009 0.105 17879 2717 1 5 . 1 1 17 17 ALA H H 16 7.305 7.305 8.394 -1.089 17879 2718 1 5 . 1 1 18 18 GLU N N 17 119.934 119.934 119.634 0.300 17879 2719 1 5 . 1 1 18 18 GLU HA H 17 4.695 4.695 4.093 0.602 17879 2720 1 5 . 1 1 18 18 GLU C C 17 178.339 178.339 178.672 -0.333 17879 2721 1 5 . 1 1 18 18 GLU CA C 17 58.173 58.173 58.809 -0.635 17879 2722 1 5 . 1 1 18 18 GLU CB C 17 28.765 28.765 29.287 -0.522 17879 2723 1 5 . 1 1 18 18 GLU H H 17 7.849 7.849 7.893 -0.044 17879 2724 1 5 . 1 1 19 19 SER N N 18 117.685 117.685 114.433 3.252 17879 2725 1 5 . 1 1 19 19 SER HA H 18 3.542 3.542 3.834 -0.292 17879 2726 1 5 . 1 1 19 19 SER C C 18 178.206 178.206 176.955 1.251 17879 2727 1 5 . 1 1 19 19 SER CA C 18 62.108 62.108 60.853 1.255 17879 2728 1 5 . 1 1 19 19 SER CB C 18 59.839 59.839 62.503 -2.664 17879 2729 1 5 . 1 1 19 19 SER H H 18 8.785 8.785 8.672 0.113 17879 2730 1 5 . 1 1 20 20 GLU N N 19 124.346 124.346 119.884 4.462 17879 2731 1 5 . 1 1 20 20 GLU HA H 19 3.988 3.988 4.124 -0.136 17879 2732 1 5 . 1 1 20 20 GLU C C 19 178.788 178.788 177.898 0.890 17879 2733 1 5 . 1 1 20 20 GLU CA C 19 59.701 59.701 58.556 1.145 17879 2734 1 5 . 1 1 20 20 GLU CB C 19 29.318 29.318 29.555 -0.237 17879 2735 1 5 . 1 1 20 20 GLU H H 19 8.052 8.052 7.619 0.433 17879 2736 1 5 . 1 1 21 21 ARG N N 20 122.089 122.089 117.715 4.374 17879 2737 1 5 . 1 1 21 21 ARG HA H 20 4.093 4.093 4.292 -0.199 17879 2738 1 5 . 1 1 21 21 ARG C C 20 179.458 179.458 178.403 1.055 17879 2739 1 5 . 1 1 21 21 ARG CA C 20 59.500 59.500 57.367 2.133 17879 2740 1 5 . 1 1 21 21 ARG CB C 20 30.412 30.412 31.002 -0.590 17879 2741 1 5 . 1 1 21 21 ARG H H 20 7.958 7.958 7.740 0.218 17879 2742 1 5 . 1 1 22 22 ILE N N 21 119.893 119.893 119.950 -0.057 17879 2743 1 5 . 1 1 22 22 ILE HA H 21 3.623 3.623 3.600 0.023 17879 2744 1 5 . 1 1 22 22 ILE C C 21 176.842 176.842 177.062 -0.220 17879 2745 1 5 . 1 1 22 22 ILE CA C 21 65.145 65.145 64.712 0.433 17879 2746 1 5 . 1 1 22 22 ILE CB C 21 38.195 38.195 37.628 0.567 17879 2747 1 5 . 1 1 22 22 ILE H H 21 8.277 8.277 8.579 -0.302 17879 2748 1 5 . 1 1 23 23 ALA N N 22 121.816 121.816 120.753 1.063 17879 2749 1 5 . 1 1 23 23 ALA HA H 22 4.071 4.071 4.078 -0.007 17879 2750 1 5 . 1 1 23 23 ALA C C 22 179.199 179.199 178.053 1.146 17879 2751 1 5 . 1 1 23 23 ALA CA C 22 54.519 54.519 54.088 0.431 17879 2752 1 5 . 1 1 23 23 ALA CB C 22 18.001 18.001 18.467 -0.466 17879 2753 1 5 . 1 1 23 23 ALA H H 22 7.962 7.962 7.981 -0.019 17879 2754 1 5 . 1 1 24 24 ASP N N 23 114.866 114.866 117.386 -2.520 17879 2755 1 5 . 1 1 24 24 ASP HA H 23 4.401 4.401 4.481 -0.080 17879 2756 1 5 . 1 1 24 24 ASP C C 23 177.324 177.324 177.764 -0.440 17879 2757 1 5 . 1 1 24 24 ASP CA C 23 56.248 56.248 55.259 0.989 17879 2758 1 5 . 1 1 24 24 ASP CB C 23 42.193 42.193 41.467 0.726 17879 2759 1 5 . 1 1 24 24 ASP H H 23 7.368 7.368 7.842 -0.474 17879 2760 1 5 . 1 1 25 25 ARG N N 24 116.868 116.868 118.398 -1.530 17879 2761 1 5 . 1 1 25 25 ARG HA H 24 3.922 3.922 4.153 -0.231 17879 2762 1 5 . 1 1 25 25 ARG C C 24 176.266 176.266 176.646 -0.380 17879 2763 1 5 . 1 1 25 25 ARG CA C 24 57.158 57.158 57.469 -0.311 17879 2764 1 5 . 1 1 25 25 ARG CB C 24 31.477 31.477 31.865 -0.388 17879 2765 1 5 . 1 1 25 25 ARG H H 24 7.815 7.815 7.518 0.297 17879 2766 1 5 . 1 1 26 26 PHE N N 25 116.737 116.737 117.368 -0.631 17879 2767 1 5 . 1 1 26 26 PHE HA H 25 5.084 5.084 4.992 0.092 17879 2768 1 5 . 1 1 26 26 PHE CA C 25 54.304 54.304 54.077 0.227 17879 2769 1 5 . 1 1 26 26 PHE CB C 25 39.026 39.026 38.237 0.789 17879 2770 1 5 . 1 1 26 26 PHE H H 25 8.658 8.658 7.796 0.862 17879 2771 1 5 . 1 1 27 27 PRO HA H 26 4.503 4.503 4.336 0.167 17879 2772 1 5 . 1 1 27 27 PRO C C 26 177.538 177.538 177.036 0.502 17879 2773 1 5 . 1 1 27 27 PRO CA C 26 64.394 64.394 64.462 -0.068 17879 2774 1 5 . 1 1 27 27 PRO CB C 26 31.961 31.961 32.025 -0.064 17879 2775 1 5 . 1 1 28 28 ASN N N 27 114.596 114.596 117.017 -2.421 17879 2776 1 5 . 1 1 28 28 ASN HA H 27 4.725 4.725 4.808 -0.083 17879 2777 1 5 . 1 1 28 28 ASN C C 27 174.678 174.678 174.169 0.509 17879 2778 1 5 . 1 1 28 28 ASN CA C 27 52.868 52.868 52.750 0.118 17879 2779 1 5 . 1 1 28 28 ASN CB C 27 38.331 38.331 37.693 0.638 17879 2780 1 5 . 1 1 28 28 ASN H H 27 8.537 8.537 8.757 -0.220 17879 2781 1 5 . 1 1 29 29 ARG N N 28 116.946 116.946 119.489 -2.543 17879 2782 1 5 . 1 1 29 29 ARG HA H 28 4.769 4.769 4.511 0.258 17879 2783 1 5 . 1 1 29 29 ARG C C 28 174.469 174.469 174.490 -0.021 17879 2784 1 5 . 1 1 29 29 ARG CA C 28 52.948 52.948 54.349 -1.401 17879 2785 1 5 . 1 1 29 29 ARG CB C 28 32.941 32.941 33.548 -0.607 17879 2786 1 5 . 1 1 29 29 ARG H H 28 7.580 7.580 7.247 0.333 17879 2787 1 5 . 1 1 30 30 ILE N N 29 121.854 121.854 120.477 1.377 17879 2788 1 5 . 1 1 30 30 ILE HA H 29 4.098 4.098 4.055 0.043 17879 2789 1 5 . 1 1 30 30 ILE CA C 29 55.558 55.558 57.316 -1.758 17879 2790 1 5 . 1 1 30 30 ILE CB C 29 38.805 38.805 39.821 -1.016 17879 2791 1 5 . 1 1 30 30 ILE H H 29 9.262 9.262 8.639 0.623 17879 2792 1 5 . 1 1 31 31 PRO HA H 30 4.856 4.856 4.705 0.151 17879 2793 1 5 . 1 1 31 31 PRO C C 30 174.121 174.121 176.648 -2.527 17879 2794 1 5 . 1 1 31 31 PRO CA C 30 61.705 61.705 62.447 -0.742 17879 2795 1 5 . 1 1 31 31 PRO CB C 30 30.966 30.966 31.300 -0.334 17879 2796 1 5 . 1 1 32 32 VAL N N 31 127.197 127.197 118.877 8.320 17879 2797 1 5 . 1 1 32 32 VAL HA H 31 4.997 4.997 5.064 -0.067 17879 2798 1 5 . 1 1 32 32 VAL C C 31 174.181 174.181 173.947 0.234 17879 2799 1 5 . 1 1 32 32 VAL CA C 31 60.620 60.620 58.902 1.718 17879 2800 1 5 . 1 1 32 32 VAL CB C 31 35.645 35.645 36.466 -0.821 17879 2801 1 5 . 1 1 32 32 VAL H H 31 9.096 9.096 9.311 -0.215 17879 2802 1 5 . 1 1 33 33 ILE N N 32 127.157 127.157 120.007 7.150 17879 2803 1 5 . 1 1 33 33 ILE HA H 32 4.917 4.917 4.638 0.279 17879 2804 1 5 . 1 1 33 33 ILE C C 32 174.991 174.991 175.178 -0.187 17879 2805 1 5 . 1 1 33 33 ILE CA C 32 56.589 56.589 59.402 -2.813 17879 2806 1 5 . 1 1 33 33 ILE CB C 32 35.908 35.908 38.932 -3.025 17879 2807 1 5 . 1 1 33 33 ILE H H 32 8.775 8.775 8.229 0.546 17879 2808 1 5 . 1 1 34 34 CYS N N 33 129.280 129.280 128.092 1.188 17879 2809 1 5 . 1 1 34 34 CYS HA H 33 5.559 5.559 4.666 0.893 17879 2810 1 5 . 1 1 34 34 CYS C C 33 173.218 173.218 173.599 -0.381 17879 2811 1 5 . 1 1 34 34 CYS CA C 33 57.121 57.121 58.922 -1.801 17879 2812 1 5 . 1 1 34 34 CYS CB C 33 28.880 28.880 28.715 0.165 17879 2813 1 5 . 1 1 34 34 CYS H H 33 9.738 9.738 9.371 0.367 17879 2814 1 5 . 1 1 35 35 GLU N N 34 124.130 124.130 125.882 -1.752 17879 2815 1 5 . 1 1 35 35 GLU HA H 34 4.977 4.977 4.760 0.217 17879 2816 1 5 . 1 1 35 35 GLU C C 34 174.190 174.190 173.654 0.536 17879 2817 1 5 . 1 1 35 35 GLU CA C 34 54.308 54.308 54.949 -0.641 17879 2818 1 5 . 1 1 35 35 GLU CB C 34 35.281 35.281 34.025 1.256 17879 2819 1 5 . 1 1 35 35 GLU H H 34 8.531 8.531 8.274 0.257 17879 2820 1 5 . 1 1 36 36 LYS N N 35 123.562 123.562 122.136 1.426 17879 2821 1 5 . 1 1 36 36 LYS HA H 35 3.056 3.056 4.267 -1.211 17879 2822 1 5 . 1 1 36 36 LYS C C 35 177.452 177.452 176.330 1.122 17879 2823 1 5 . 1 1 36 36 LYS CA C 35 56.374 56.374 54.253 2.121 17879 2824 1 5 . 1 1 36 36 LYS CB C 35 32.750 32.750 33.320 -0.570 17879 2825 1 5 . 1 1 36 36 LYS H H 35 8.949 8.949 8.472 0.477 17879 2826 1 5 . 1 1 37 37 ALA N N 36 129.494 129.494 129.261 0.233 17879 2827 1 5 . 1 1 37 37 ALA HA H 36 4.163 4.163 4.120 0.043 17879 2828 1 5 . 1 1 37 37 ALA C C 36 178.375 178.375 177.385 0.990 17879 2829 1 5 . 1 1 37 37 ALA CA C 36 52.702 52.702 52.949 -0.247 17879 2830 1 5 . 1 1 37 37 ALA CB C 36 18.673 18.673 19.465 -0.792 17879 2831 1 5 . 1 1 37 37 ALA H H 36 8.561 8.561 7.801 0.760 17879 2832 1 5 . 1 1 38 38 GLU N N 37 125.115 125.115 118.247 6.868 17879 2833 1 5 . 1 1 38 38 GLU HA H 37 3.959 3.959 4.157 -0.198 17879 2834 1 5 . 1 1 38 38 GLU C C 37 177.516 177.516 177.750 -0.234 17879 2835 1 5 . 1 1 38 38 GLU CA C 37 59.302 59.302 57.456 1.846 17879 2836 1 5 . 1 1 38 38 GLU CB C 37 30.154 30.154 29.892 0.262 17879 2837 1 5 . 1 1 38 38 GLU H H 37 8.648 8.648 8.649 -0.001 17879 2838 1 5 . 1 1 39 39 LYS N N 38 115.020 115.020 120.572 -5.552 17879 2839 1 5 . 1 1 39 39 LYS HA H 38 4.188 4.188 4.072 0.116 17879 2840 1 5 . 1 1 39 39 LYS C C 38 176.244 176.244 177.339 -1.095 17879 2841 1 5 . 1 1 39 39 LYS CA C 38 56.564 56.564 57.852 -1.288 17879 2842 1 5 . 1 1 39 39 LYS CB C 38 31.484 31.484 31.808 -0.324 17879 2843 1 5 . 1 1 39 39 LYS H H 38 8.494 8.494 8.215 0.279 17879 2844 1 5 . 1 1 40 40 SER N N 39 113.091 113.091 113.112 -0.021 17879 2845 1 5 . 1 1 40 40 SER HA H 39 4.535 4.535 4.489 0.046 17879 2846 1 5 . 1 1 40 40 SER C C 39 174.896 174.896 174.607 0.289 17879 2847 1 5 . 1 1 40 40 SER CA C 39 57.985 57.985 59.636 -1.651 17879 2848 1 5 . 1 1 40 40 SER CB C 39 65.000 65.000 63.672 1.328 17879 2849 1 5 . 1 1 40 40 SER H H 39 7.346 7.346 8.079 -0.733 17879 2850 1 5 . 1 1 41 41 ASP N N 40 127.375 127.375 120.855 6.520 17879 2851 1 5 . 1 1 41 41 ASP HA H 40 4.782 4.782 4.916 -0.134 17879 2852 1 5 . 1 1 41 41 ASP C C 40 175.205 175.205 175.232 -0.027 17879 2853 1 5 . 1 1 41 41 ASP CA C 40 53.549 53.549 53.790 -0.241 17879 2854 1 5 . 1 1 41 41 ASP CB C 40 39.916 39.916 41.693 -1.777 17879 2855 1 5 . 1 1 41 41 ASP H H 40 8.744 8.744 8.748 -0.004 17879 2856 1 5 . 1 1 42 42 ILE N N 41 122.943 122.943 116.411 6.532 17879 2857 1 5 . 1 1 42 42 ILE HA H 41 4.661 4.661 4.795 -0.134 17879 2858 1 5 . 1 1 42 42 ILE CA C 41 59.133 59.133 57.879 1.254 17879 2859 1 5 . 1 1 42 42 ILE CB C 41 40.534 40.534 39.949 0.585 17879 2860 1 5 . 1 1 42 42 ILE H H 41 7.649 7.649 7.150 0.499 17879 2861 1 5 . 1 1 43 43 PRO HA H 42 4.414 4.414 4.484 -0.070 17879 2862 1 5 . 1 1 43 43 PRO C C 42 175.952 175.952 176.042 -0.090 17879 2863 1 5 . 1 1 43 43 PRO CA C 42 63.829 63.829 62.546 1.283 17879 2864 1 5 . 1 1 43 43 PRO CB C 42 32.895 32.895 31.553 1.342 17879 2865 1 5 . 1 1 44 44 GLU N N 43 120.369 120.369 124.805 -4.436 17879 2866 1 5 . 1 1 44 44 GLU HA H 43 4.298 4.298 4.154 0.144 17879 2867 1 5 . 1 1 44 44 GLU C C 43 175.316 175.316 176.271 -0.955 17879 2868 1 5 . 1 1 44 44 GLU CA C 43 56.400 56.400 56.935 -0.535 17879 2869 1 5 . 1 1 44 44 GLU CB C 43 31.282 31.282 30.637 0.644 17879 2870 1 5 . 1 1 44 44 GLU H H 43 8.393 8.393 8.360 0.033 17879 2871 1 5 . 1 1 45 45 ILE N N 44 123.670 123.670 121.620 2.050 17879 2872 1 5 . 1 1 45 45 ILE HA H 44 4.419 4.419 4.242 0.177 17879 2873 1 5 . 1 1 45 45 ILE C C 44 174.786 174.786 176.451 -1.665 17879 2874 1 5 . 1 1 45 45 ILE CA C 44 61.027 61.027 61.183 -0.156 17879 2875 1 5 . 1 1 45 45 ILE CB C 44 40.509 40.509 39.588 0.921 17879 2876 1 5 . 1 1 45 45 ILE H H 44 8.067 8.067 8.537 -0.470 17879 2877 1 5 . 1 1 46 46 ASP N N 45 123.340 123.340 122.337 1.003 17879 2878 1 5 . 1 1 46 46 ASP HA H 45 4.412 4.412 4.542 -0.130 17879 2879 1 5 . 1 1 46 46 ASP C C 45 175.494 175.494 175.351 0.143 17879 2880 1 5 . 1 1 46 46 ASP CA C 45 55.467 55.467 56.278 -0.811 17879 2881 1 5 . 1 1 46 46 ASP CB C 45 40.320 40.320 41.234 -0.914 17879 2882 1 5 . 1 1 46 46 ASP H H 45 8.468 8.468 8.772 -0.304 17879 2883 1 5 . 1 1 47 47 LYS N N 46 121.295 121.295 113.707 7.588 17879 2884 1 5 . 1 1 47 47 LYS HA H 46 4.428 4.428 4.770 -0.342 17879 2885 1 5 . 1 1 47 47 LYS CA C 46 56.020 56.020 54.528 1.492 17879 2886 1 5 . 1 1 47 47 LYS CB C 46 34.644 34.644 35.456 -0.812 17879 2887 1 5 . 1 1 47 47 LYS H H 46 7.319 7.319 7.470 -0.151 17879 2888 1 5 . 1 1 48 48 ARG N N 47 124.949 124.949 120.405 4.544 17879 2889 1 5 . 1 1 48 48 ARG HA H 47 5.271 5.271 5.025 0.246 17879 2890 1 5 . 1 1 48 48 ARG C C 47 173.546 173.546 175.154 -1.608 17879 2891 1 5 . 1 1 48 48 ARG CA C 47 55.581 55.581 55.415 0.166 17879 2892 1 5 . 1 1 48 48 ARG CB C 47 32.992 32.992 31.047 1.946 17879 2893 1 5 . 1 1 48 48 ARG H H 47 8.558 8.558 8.286 0.272 17879 2894 1 5 . 1 1 49 49 LYS N N 48 122.812 122.812 123.915 -1.103 17879 2895 1 5 . 1 1 49 49 LYS HA H 48 5.030 5.030 4.402 0.628 17879 2896 1 5 . 1 1 49 49 LYS C C 48 174.301 174.301 174.480 -0.179 17879 2897 1 5 . 1 1 49 49 LYS CA C 48 55.042 55.042 55.593 -0.551 17879 2898 1 5 . 1 1 49 49 LYS CB C 48 34.065 34.065 34.607 -0.542 17879 2899 1 5 . 1 1 49 49 LYS H H 48 7.440 7.440 8.207 -0.767 17879 2900 1 5 . 1 1 50 50 TYR N N 49 124.842 124.842 123.200 1.642 17879 2901 1 5 . 1 1 50 50 TYR HA H 49 4.721 4.721 4.664 0.057 17879 2902 1 5 . 1 1 50 50 TYR C C 49 173.674 173.674 174.169 -0.495 17879 2903 1 5 . 1 1 50 50 TYR CA C 49 57.192 57.192 57.607 -0.415 17879 2904 1 5 . 1 1 50 50 TYR CB C 49 43.123 43.123 42.987 0.136 17879 2905 1 5 . 1 1 50 50 TYR H H 49 9.590 9.590 9.121 0.469 17879 2906 1 5 . 1 1 51 51 LEU N N 50 124.138 124.138 125.283 -1.145 17879 2907 1 5 . 1 1 51 51 LEU HA H 50 4.753 4.753 4.810 -0.057 17879 2908 1 5 . 1 1 51 51 LEU C C 50 176.050 176.050 175.931 0.119 17879 2909 1 5 . 1 1 51 51 LEU CA C 50 53.158 53.158 54.050 -0.892 17879 2910 1 5 . 1 1 51 51 LEU CB C 50 41.155 41.155 41.822 -0.666 17879 2911 1 5 . 1 1 51 51 LEU H H 50 8.901 8.901 8.856 0.045 17879 2912 1 5 . 1 1 52 52 VAL N N 51 123.181 123.181 118.596 4.585 17879 2913 1 5 . 1 1 52 52 VAL HA H 51 3.948 3.948 4.488 -0.540 17879 2914 1 5 . 1 1 52 52 VAL CA C 51 59.724 59.724 59.307 0.417 17879 2915 1 5 . 1 1 52 52 VAL CB C 51 33.605 33.605 31.774 1.831 17879 2916 1 5 . 1 1 52 52 VAL H H 51 8.513 8.513 7.871 0.642 17879 2917 1 5 . 1 1 53 53 PRO HA H 52 4.305 4.305 4.360 -0.055 17879 2918 1 5 . 1 1 53 53 PRO C C 52 176.607 176.607 176.027 0.580 17879 2919 1 5 . 1 1 53 53 PRO CA C 52 63.950 63.950 61.937 2.013 17879 2920 1 5 . 1 1 53 53 PRO CB C 52 32.163 32.163 32.420 -0.257 17879 2921 1 5 . 1 1 54 54 ALA N N 53 123.771 123.771 120.144 3.627 17879 2922 1 5 . 1 1 54 54 ALA HA H 53 3.720 3.720 4.172 -0.452 17879 2923 1 5 . 1 1 54 54 ALA C C 53 176.409 176.409 176.785 -0.376 17879 2924 1 5 . 1 1 54 54 ALA CA C 53 54.742 54.742 52.605 2.137 17879 2925 1 5 . 1 1 54 54 ALA CB C 53 18.948 18.948 19.240 -0.292 17879 2926 1 5 . 1 1 54 54 ALA H H 53 7.926 7.926 8.465 -0.539 17879 2927 1 5 . 1 1 55 55 ASP N N 54 111.152 111.152 117.946 -6.794 17879 2928 1 5 . 1 1 55 55 ASP HA H 54 4.621 4.621 4.620 0.001 17879 2929 1 5 . 1 1 55 55 ASP C C 54 175.823 175.823 176.407 -0.584 17879 2930 1 5 . 1 1 55 55 ASP CA C 54 52.744 52.744 54.670 -1.926 17879 2931 1 5 . 1 1 55 55 ASP CB C 54 39.861 39.861 41.625 -1.764 17879 2932 1 5 . 1 1 55 55 ASP H H 54 8.106 8.106 8.050 0.056 17879 2933 1 5 . 1 1 56 56 LEU N N 55 121.263 121.263 122.051 -0.788 17879 2934 1 5 . 1 1 56 56 LEU HA H 55 4.351 4.351 4.301 0.050 17879 2935 1 5 . 1 1 56 56 LEU C C 55 177.459 177.459 176.834 0.625 17879 2936 1 5 . 1 1 56 56 LEU CA C 55 55.472 55.472 55.558 -0.086 17879 2937 1 5 . 1 1 56 56 LEU CB C 55 43.593 43.593 43.173 0.420 17879 2938 1 5 . 1 1 56 56 LEU H H 55 7.295 7.295 7.747 -0.452 17879 2939 1 5 . 1 1 57 57 THR N N 56 114.222 114.222 116.934 -2.712 17879 2940 1 5 . 1 1 57 57 THR HA H 56 5.233 5.233 4.577 0.655 17879 2941 1 5 . 1 1 57 57 THR C C 56 176.538 176.538 175.357 1.181 17879 2942 1 5 . 1 1 57 57 THR CA C 56 60.318 60.318 61.368 -1.050 17879 2943 1 5 . 1 1 57 57 THR CB C 56 71.303 71.303 70.510 0.793 17879 2944 1 5 . 1 1 57 57 THR H H 56 8.476 8.476 8.107 0.369 17879 2945 1 5 . 1 1 58 58 VAL N N 57 122.331 122.331 118.582 3.749 17879 2946 1 5 . 1 1 58 58 VAL HA H 57 3.738 3.738 4.133 -0.395 17879 2947 1 5 . 1 1 58 58 VAL C C 57 178.743 178.743 177.580 1.163 17879 2948 1 5 . 1 1 58 58 VAL CA C 57 66.797 66.797 65.260 1.537 17879 2949 1 5 . 1 1 58 58 VAL CB C 57 31.801 31.801 32.100 -0.299 17879 2950 1 5 . 1 1 58 58 VAL H H 57 8.806 8.806 7.881 0.925 17879 2951 1 5 . 1 1 59 59 GLY N N 58 105.470 105.470 106.154 -0.684 17879 2952 1 5 . 1 1 59 59 GLY C C 58 176.924 176.924 175.333 1.591 17879 2953 1 5 . 1 1 59 59 GLY CA C 58 47.317 47.317 46.563 0.754 17879 2954 1 5 . 1 1 59 59 GLY H H 58 9.381 9.381 7.896 1.485 17879 2955 1 5 . 1 1 60 60 GLN N N 59 121.492 121.492 117.951 3.541 17879 2956 1 5 . 1 1 60 60 GLN HA H 59 4.166 4.166 4.486 -0.320 17879 2957 1 5 . 1 1 60 60 GLN C C 59 178.605 178.605 177.307 1.298 17879 2958 1 5 . 1 1 60 60 GLN CA C 59 58.764 58.764 57.756 1.008 17879 2959 1 5 . 1 1 60 60 GLN CB C 59 29.129 29.129 29.681 -0.552 17879 2960 1 5 . 1 1 60 60 GLN H H 59 8.027 8.027 7.693 0.334 17879 2961 1 5 . 1 1 61 61 PHE N N 60 122.595 122.595 122.141 0.454 17879 2962 1 5 . 1 1 61 61 PHE HA H 60 4.291 4.291 4.360 -0.069 17879 2963 1 5 . 1 1 61 61 PHE C C 60 176.690 176.690 176.917 -0.227 17879 2964 1 5 . 1 1 61 61 PHE CA C 60 61.502 61.502 59.755 1.746 17879 2965 1 5 . 1 1 61 61 PHE CB C 60 39.155 39.155 39.214 -0.059 17879 2966 1 5 . 1 1 61 61 PHE H H 60 8.522 8.522 7.472 1.050 17879 2967 1 5 . 1 1 62 62 VAL N N 61 118.720 118.720 118.825 -0.105 17879 2968 1 5 . 1 1 62 62 VAL HA H 61 3.070 3.070 3.238 -0.168 17879 2969 1 5 . 1 1 62 62 VAL C C 61 176.872 176.872 177.383 -0.511 17879 2970 1 5 . 1 1 62 62 VAL CA C 61 67.040 67.040 66.695 0.345 17879 2971 1 5 . 1 1 62 62 VAL CB C 61 31.119 31.119 31.374 -0.255 17879 2972 1 5 . 1 1 62 62 VAL H H 61 8.705 8.705 7.865 0.840 17879 2973 1 5 . 1 1 63 63 TYR N N 62 118.462 118.462 119.367 -0.905 17879 2974 1 5 . 1 1 63 63 TYR HA H 62 3.987 3.987 4.052 -0.065 17879 2975 1 5 . 1 1 63 63 TYR C C 62 177.325 177.325 176.661 0.664 17879 2976 1 5 . 1 1 63 63 TYR CA C 62 61.685 61.685 60.703 0.982 17879 2977 1 5 . 1 1 63 63 TYR CB C 62 37.906 37.906 37.777 0.129 17879 2978 1 5 . 1 1 63 63 TYR H H 62 7.373 7.373 7.938 -0.565 17879 2979 1 5 . 1 1 64 64 VAL N N 63 119.137 119.137 118.051 1.086 17879 2980 1 5 . 1 1 64 64 VAL HA H 63 3.342 3.342 2.934 0.408 17879 2981 1 5 . 1 1 64 64 VAL C C 63 178.326 178.326 177.904 0.422 17879 2982 1 5 . 1 1 64 64 VAL CA C 63 66.615 66.615 65.588 1.027 17879 2983 1 5 . 1 1 64 64 VAL CB C 63 31.157 31.157 31.360 -0.203 17879 2984 1 5 . 1 1 64 64 VAL H H 63 7.376 7.376 7.522 -0.146 17879 2985 1 5 . 1 1 65 65 ILE N N 64 118.858 118.858 118.544 0.314 17879 2986 1 5 . 1 1 65 65 ILE HA H 64 3.279 3.279 3.584 -0.305 17879 2987 1 5 . 1 1 65 65 ILE C C 64 177.653 177.653 178.057 -0.404 17879 2988 1 5 . 1 1 65 65 ILE CA C 64 63.682 63.682 61.691 1.991 17879 2989 1 5 . 1 1 65 65 ILE CB C 64 36.150 36.150 35.773 0.377 17879 2990 1 5 . 1 1 65 65 ILE H H 64 7.366 7.366 7.598 -0.232 17879 2991 1 5 . 1 1 66 66 ARG N N 65 118.729 118.729 118.366 0.363 17879 2992 1 5 . 1 1 66 66 ARG HA H 65 3.397 3.397 4.018 -0.621 17879 2993 1 5 . 1 1 66 66 ARG C C 65 178.284 178.284 177.397 0.887 17879 2994 1 5 . 1 1 66 66 ARG CA C 65 60.078 60.078 57.503 2.575 17879 2995 1 5 . 1 1 66 66 ARG CB C 65 30.022 30.022 29.891 0.131 17879 2996 1 5 . 1 1 66 66 ARG H H 65 8.463 8.463 8.179 0.284 17879 2997 1 5 . 1 1 67 67 LYS N N 66 116.643 116.643 118.897 -2.254 17879 2998 1 5 . 1 1 67 67 LYS HA H 66 3.951 3.951 4.102 -0.151 17879 2999 1 5 . 1 1 67 67 LYS C C 66 178.989 178.989 178.296 0.693 17879 3000 1 5 . 1 1 67 67 LYS CA C 66 58.347 58.347 58.558 -0.211 17879 3001 1 5 . 1 1 67 67 LYS CB C 66 31.938 31.938 32.385 -0.446 17879 3002 1 5 . 1 1 67 67 LYS H H 66 7.536 7.536 7.600 -0.064 17879 3003 1 5 . 1 1 68 68 ARG N N 67 119.051 119.051 119.251 -0.200 17879 3004 1 5 . 1 1 68 68 ARG HA H 67 4.104 4.104 4.049 0.055 17879 3005 1 5 . 1 1 68 68 ARG C C 67 178.122 178.122 178.609 -0.487 17879 3006 1 5 . 1 1 68 68 ARG CA C 67 58.182 58.182 58.926 -0.744 17879 3007 1 5 . 1 1 68 68 ARG CB C 67 30.273 30.273 30.432 -0.159 17879 3008 1 5 . 1 1 68 68 ARG H H 67 7.783 7.783 7.612 0.171 17879 3009 1 5 . 1 1 69 69 ILE N N 68 112.456 112.456 112.847 -0.391 17879 3010 1 5 . 1 1 69 69 ILE HA H 68 4.223 4.223 4.078 0.145 17879 3011 1 5 . 1 1 69 69 ILE C C 68 174.568 174.568 175.346 -0.778 17879 3012 1 5 . 1 1 69 69 ILE CA C 68 61.502 61.502 61.380 0.121 17879 3013 1 5 . 1 1 69 69 ILE CB C 68 38.643 38.643 38.025 0.618 17879 3014 1 5 . 1 1 69 69 ILE H H 68 7.675 7.675 7.102 0.573 17879 3015 1 5 . 1 1 70 70 MET N N 69 118.509 118.509 113.467 5.042 17879 3016 1 5 . 1 1 70 70 MET HA H 69 3.982 3.982 4.127 -0.145 17879 3017 1 5 . 1 1 70 70 MET C C 69 175.482 175.482 174.961 0.521 17879 3018 1 5 . 1 1 70 70 MET CA C 69 55.811 55.811 55.914 -0.103 17879 3019 1 5 . 1 1 70 70 MET CB C 69 29.392 29.392 30.038 -0.646 17879 3020 1 5 . 1 1 70 70 MET H H 69 7.805 7.805 7.513 0.292 17879 3021 1 5 . 1 1 71 71 LEU N N 70 121.952 121.952 121.966 -0.014 17879 3022 1 5 . 1 1 71 71 LEU HA H 70 4.603 4.603 4.426 0.177 17879 3023 1 5 . 1 1 71 71 LEU CA C 70 52.560 52.560 53.813 -1.253 17879 3024 1 5 . 1 1 71 71 LEU CB C 70 44.045 44.045 42.012 2.033 17879 3025 1 5 . 1 1 71 71 LEU H H 70 7.493 7.493 7.569 -0.076 17879 3026 1 5 . 1 1 72 72 PRO HA H 71 4.678 4.678 4.828 -0.150 17879 3027 1 5 . 1 1 72 72 PRO CA C 71 62.124 62.124 61.133 0.991 17879 3028 1 5 . 1 1 72 72 PRO CB C 71 31.307 31.307 31.064 0.243 17879 3029 1 5 . 1 1 73 73 PRO HA H 72 4.123 4.123 4.388 -0.265 17879 3030 1 5 . 1 1 73 73 PRO C C 72 177.052 177.052 176.769 0.283 17879 3031 1 5 . 1 1 73 73 PRO CA C 72 64.924 64.924 64.305 0.619 17879 3032 1 5 . 1 1 73 73 PRO CB C 72 32.049 32.049 32.028 0.021 17879 3033 1 5 . 1 1 74 74 GLU N N 73 115.091 115.091 115.996 -0.905 17879 3034 1 5 . 1 1 74 74 GLU HA H 73 4.181 4.181 4.342 -0.161 17879 3035 1 5 . 1 1 74 74 GLU C C 73 176.459 176.459 176.582 -0.123 17879 3036 1 5 . 1 1 74 74 GLU CA C 73 57.774 57.774 56.427 1.347 17879 3037 1 5 . 1 1 74 74 GLU CB C 73 28.321 28.321 29.038 -0.717 17879 3038 1 5 . 1 1 74 74 GLU H H 73 9.065 9.065 8.653 0.412 17879 3039 1 5 . 1 1 75 75 LYS N N 74 121.755 121.755 119.677 2.078 17879 3040 1 5 . 1 1 75 75 LYS HA H 74 4.520 4.520 4.536 -0.016 17879 3041 1 5 . 1 1 75 75 LYS C C 74 174.789 174.789 174.623 0.166 17879 3042 1 5 . 1 1 75 75 LYS CA C 74 54.789 54.789 54.819 -0.030 17879 3043 1 5 . 1 1 75 75 LYS CB C 74 32.882 32.882 35.804 -2.922 17879 3044 1 5 . 1 1 75 75 LYS H H 74 7.797 7.797 7.434 0.363 17879 3045 1 5 . 1 1 76 76 ALA N N 75 127.848 127.848 122.135 5.713 17879 3046 1 5 . 1 1 76 76 ALA HA H 75 4.072 4.072 4.608 -0.536 17879 3047 1 5 . 1 1 76 76 ALA C C 75 175.710 175.710 175.124 0.586 17879 3048 1 5 . 1 1 76 76 ALA CA C 75 52.226 52.226 51.118 1.107 17879 3049 1 5 . 1 1 76 76 ALA CB C 75 20.956 20.956 21.503 -0.547 17879 3050 1 5 . 1 1 76 76 ALA H H 75 8.410 8.410 8.430 -0.020 17879 3051 1 5 . 1 1 77 77 ILE N N 76 114.298 114.298 121.766 -7.468 17879 3052 1 5 . 1 1 77 77 ILE HA H 76 4.593 4.593 5.269 -0.676 17879 3053 1 5 . 1 1 77 77 ILE C C 76 172.379 172.379 174.105 -1.726 17879 3054 1 5 . 1 1 77 77 ILE CA C 76 59.699 59.699 60.513 -0.814 17879 3055 1 5 . 1 1 77 77 ILE CB C 76 41.218 41.218 40.806 0.412 17879 3056 1 5 . 1 1 77 77 ILE H H 76 7.193 7.193 7.908 -0.715 17879 3057 1 5 . 1 1 78 78 PHE N N 77 124.094 124.094 126.792 -2.698 17879 3058 1 5 . 1 1 78 78 PHE HA H 77 4.556 4.556 4.870 -0.314 17879 3059 1 5 . 1 1 78 78 PHE C C 77 174.359 174.359 174.733 -0.374 17879 3060 1 5 . 1 1 78 78 PHE CA C 77 56.596 56.596 56.344 0.251 17879 3061 1 5 . 1 1 78 78 PHE CB C 77 42.370 42.370 42.573 -0.203 17879 3062 1 5 . 1 1 78 78 PHE H H 77 8.931 8.931 9.165 -0.234 17879 3063 1 5 . 1 1 79 79 ILE N N 78 117.724 117.724 120.923 -3.199 17879 3064 1 5 . 1 1 79 79 ILE HA H 78 5.233 5.233 5.135 0.098 17879 3065 1 5 . 1 1 79 79 ILE C C 78 173.334 173.334 175.323 -1.989 17879 3066 1 5 . 1 1 79 79 ILE CA C 78 58.130 58.130 60.449 -2.319 17879 3067 1 5 . 1 1 79 79 ILE CB C 78 39.360 39.360 38.988 0.372 17879 3068 1 5 . 1 1 79 79 ILE H H 78 8.025 8.025 8.760 -0.735 17879 3069 1 5 . 1 1 80 80 PHE N N 79 121.084 121.084 124.024 -2.940 17879 3070 1 5 . 1 1 80 80 PHE HA H 79 5.365 5.365 4.986 0.379 17879 3071 1 5 . 1 1 80 80 PHE C C 79 176.270 176.270 174.274 1.996 17879 3072 1 5 . 1 1 80 80 PHE CA C 79 55.948 55.948 57.120 -1.172 17879 3073 1 5 . 1 1 80 80 PHE CB C 79 42.763 42.763 43.070 -0.307 17879 3074 1 5 . 1 1 80 80 PHE H H 79 9.210 9.210 9.073 0.137 17879 3075 1 5 . 1 1 81 81 VAL N N 80 117.974 117.974 122.775 -4.801 17879 3076 1 5 . 1 1 81 81 VAL HA H 80 4.520 4.520 4.533 -0.013 17879 3077 1 5 . 1 1 81 81 VAL C C 80 175.699 175.699 175.572 0.127 17879 3078 1 5 . 1 1 81 81 VAL CA C 80 60.484 60.484 61.337 -0.852 17879 3079 1 5 . 1 1 81 81 VAL CB C 80 34.263 34.263 33.566 0.697 17879 3080 1 5 . 1 1 81 81 VAL H H 80 8.832 8.832 9.109 -0.277 17879 3081 1 5 . 1 1 82 82 ASN N N 81 127.615 127.615 125.664 1.951 17879 3082 1 5 . 1 1 82 82 ASN HA H 81 4.339 4.339 4.323 0.016 17879 3083 1 5 . 1 1 82 82 ASN C C 81 174.036 174.036 174.520 -0.484 17879 3084 1 5 . 1 1 82 82 ASN CA C 81 55.231 55.231 54.658 0.572 17879 3085 1 5 . 1 1 82 82 ASN CB C 81 37.408 37.408 37.319 0.089 17879 3086 1 5 . 1 1 82 82 ASN H H 81 9.689 9.689 9.305 0.384 17879 3087 1 5 . 1 1 83 83 ASP N N 82 112.699 112.699 112.103 0.596 17879 3088 1 5 . 1 1 83 83 ASP HA H 82 4.135 4.135 4.334 -0.199 17879 3089 1 5 . 1 1 83 83 ASP C C 82 174.560 174.560 174.932 -0.372 17879 3090 1 5 . 1 1 83 83 ASP CA C 82 55.638 55.638 55.028 0.610 17879 3091 1 5 . 1 1 83 83 ASP CB C 82 39.564 39.564 39.341 0.223 17879 3092 1 5 . 1 1 83 83 ASP H H 82 8.772 8.772 8.470 0.302 17879 3093 1 5 . 1 1 84 84 THR N N 83 112.567 112.567 114.677 -2.110 17879 3094 1 5 . 1 1 84 84 THR HA H 83 4.715 4.715 4.667 0.048 17879 3095 1 5 . 1 1 84 84 THR C C 83 172.200 172.200 172.984 -0.784 17879 3096 1 5 . 1 1 84 84 THR CA C 83 60.868 60.868 61.415 -0.547 17879 3097 1 5 . 1 1 84 84 THR CB C 83 72.206 72.206 71.490 0.716 17879 3098 1 5 . 1 1 84 84 THR H H 83 8.080 8.080 7.862 0.218 17879 3099 1 5 . 1 1 85 85 LEU N N 84 125.810 125.810 129.766 -3.956 17879 3100 1 5 . 1 1 85 85 LEU HA H 84 5.127 5.127 4.848 0.279 17879 3101 1 5 . 1 1 85 85 LEU CA C 84 51.927 51.927 51.999 -0.072 17879 3102 1 5 . 1 1 85 85 LEU CB C 84 42.779 42.779 42.817 -0.038 17879 3103 1 5 . 1 1 85 85 LEU H H 84 8.520 8.520 8.658 -0.138 17879 3104 1 5 . 1 1 86 86 PRO HA H 85 4.835 4.835 4.766 0.069 17879 3105 1 5 . 1 1 86 86 PRO CA C 85 60.910 60.910 61.266 -0.356 17879 3106 1 5 . 1 1 86 86 PRO CB C 85 30.852 30.852 31.125 -0.273 17879 3107 1 5 . 1 1 87 87 PRO HA H 86 4.577 4.577 4.572 0.005 17879 3108 1 5 . 1 1 87 87 PRO C C 86 177.830 177.830 176.609 1.221 17879 3109 1 5 . 1 1 87 87 PRO CA C 86 62.424 62.424 62.707 -0.283 17879 3110 1 5 . 1 1 87 87 PRO CB C 86 31.910 31.910 32.124 -0.214 17879 3111 1 5 . 1 1 88 88 THR N N 87 114.642 114.642 107.943 6.699 17879 3112 1 5 . 1 1 88 88 THR HA H 87 3.802 3.802 4.325 -0.523 17879 3113 1 5 . 1 1 88 88 THR C C 87 175.702 175.702 175.420 0.282 17879 3114 1 5 . 1 1 88 88 THR CA C 87 65.079 65.079 64.281 0.798 17879 3115 1 5 . 1 1 88 88 THR CB C 87 68.818 68.818 69.039 -0.221 17879 3116 1 5 . 1 1 88 88 THR H H 87 8.291 8.291 7.973 0.318 17879 3117 1 5 . 1 1 89 89 ALA N N 88 119.706 119.706 123.154 -3.448 17879 3118 1 5 . 1 1 89 89 ALA HA H 88 4.420 4.420 4.338 0.082 17879 3119 1 5 . 1 1 89 89 ALA C C 88 177.690 177.690 178.124 -0.434 17879 3120 1 5 . 1 1 89 89 ALA CA C 88 52.118 52.118 52.201 -0.083 17879 3121 1 5 . 1 1 89 89 ALA CB C 88 19.334 19.334 17.504 1.830 17879 3122 1 5 . 1 1 89 89 ALA H H 88 8.031 8.031 8.168 -0.137 17879 3123 1 5 . 1 1 90 90 ALA N N 89 120.388 120.388 122.407 -2.019 17879 3124 1 5 . 1 1 90 90 ALA HA H 89 4.179 4.179 4.260 -0.081 17879 3125 1 5 . 1 1 90 90 ALA C C 89 176.520 176.520 176.541 -0.021 17879 3126 1 5 . 1 1 90 90 ALA CA C 89 52.454 52.454 51.065 1.389 17879 3127 1 5 . 1 1 90 90 ALA CB C 89 19.301 19.301 17.073 2.228 17879 3128 1 5 . 1 1 90 90 ALA H H 89 7.465 7.465 8.132 -0.667 17879 3129 1 5 . 1 1 91 91 LEU N N 90 119.307 119.307 122.230 -2.923 17879 3130 1 5 . 1 1 91 91 LEU HA H 90 4.490 4.490 3.935 0.555 17879 3131 1 5 . 1 1 91 91 LEU C C 90 179.555 179.555 178.078 1.477 17879 3132 1 5 . 1 1 91 91 LEU CA C 90 54.578 54.578 56.023 -1.445 17879 3133 1 5 . 1 1 91 91 LEU CB C 90 42.689 42.689 41.596 1.093 17879 3134 1 5 . 1 1 91 91 LEU H H 90 8.458 8.458 8.355 0.103 17879 3135 1 5 . 1 1 92 92 MET N N 91 121.586 121.586 124.352 -2.766 17879 3136 1 5 . 1 1 92 92 MET HA H 91 4.231 4.231 3.865 0.366 17879 3137 1 5 . 1 1 92 92 MET C C 91 178.860 178.860 178.608 0.252 17879 3138 1 5 . 1 1 92 92 MET CA C 91 56.938 56.938 59.361 -2.423 17879 3139 1 5 . 1 1 92 92 MET CB C 91 29.372 29.372 31.562 -2.190 17879 3140 1 5 . 1 1 92 92 MET H H 91 9.203 9.203 8.590 0.613 17879 3141 1 5 . 1 1 93 93 SER N N 92 112.826 112.826 114.727 -1.901 17879 3142 1 5 . 1 1 93 93 SER HA H 92 3.978 3.978 4.038 -0.060 17879 3143 1 5 . 1 1 93 93 SER C C 92 176.318 176.318 176.269 0.049 17879 3144 1 5 . 1 1 93 93 SER CA C 92 60.871 60.871 61.338 -0.467 17879 3145 1 5 . 1 1 93 93 SER CB C 92 61.575 61.575 62.946 -1.371 17879 3146 1 5 . 1 1 93 93 SER H H 92 8.717 8.717 8.398 0.319 17879 3147 1 5 . 1 1 94 94 ALA N N 93 126.735 126.735 123.057 3.678 17879 3148 1 5 . 1 1 94 94 ALA HA H 93 4.357 4.357 4.149 0.208 17879 3149 1 5 . 1 1 94 94 ALA C C 93 180.789 180.789 178.958 1.831 17879 3150 1 5 . 1 1 94 94 ALA CA C 93 54.841 54.841 54.430 0.411 17879 3151 1 5 . 1 1 94 94 ALA CB C 93 18.603 18.603 18.441 0.162 17879 3152 1 5 . 1 1 94 94 ALA H H 93 7.058 7.058 7.935 -0.877 17879 3153 1 5 . 1 1 95 95 ILE N N 94 118.720 118.720 117.372 1.348 17879 3154 1 5 . 1 1 95 95 ILE HA H 94 4.063 4.063 3.910 0.153 17879 3155 1 5 . 1 1 95 95 ILE C C 94 178.326 178.326 177.268 1.058 17879 3156 1 5 . 1 1 95 95 ILE CA C 94 62.755 62.755 62.991 -0.236 17879 3157 1 5 . 1 1 95 95 ILE CB C 94 36.410 36.410 38.203 -1.793 17879 3158 1 5 . 1 1 95 95 ILE H H 94 7.872 7.872 7.725 0.147 17879 3159 1 5 . 1 1 96 96 TYR N N 95 120.697 120.697 119.280 1.417 17879 3160 1 5 . 1 1 96 96 TYR HA H 95 4.007 4.007 4.233 -0.226 17879 3161 1 5 . 1 1 96 96 TYR C C 95 176.022 176.022 175.816 0.206 17879 3162 1 5 . 1 1 96 96 TYR CA C 95 62.187 62.187 59.931 2.256 17879 3163 1 5 . 1 1 96 96 TYR CB C 95 39.093 39.093 38.762 0.331 17879 3164 1 5 . 1 1 96 96 TYR H H 95 8.841 8.841 8.381 0.460 17879 3165 1 5 . 1 1 97 97 GLN N N 96 114.982 114.982 117.727 -2.745 17879 3166 1 5 . 1 1 97 97 GLN HA H 96 3.778 3.778 4.372 -0.594 17879 3167 1 5 . 1 1 97 97 GLN C C 96 177.250 177.250 176.222 1.028 17879 3168 1 5 . 1 1 97 97 GLN CA C 96 58.719 58.719 56.635 2.084 17879 3169 1 5 . 1 1 97 97 GLN CB C 96 28.286 28.286 29.635 -1.349 17879 3170 1 5 . 1 1 97 97 GLN H H 96 7.757 7.757 7.836 -0.079 17879 3171 1 5 . 1 1 98 98 GLU N N 97 114.340 114.340 117.982 -3.642 17879 3172 1 5 . 1 1 98 98 GLU HA H 97 4.099 4.099 4.310 -0.211 17879 3173 1 5 . 1 1 98 98 GLU C C 97 178.140 178.140 176.841 1.299 17879 3174 1 5 . 1 1 98 98 GLU CA C 97 57.886 57.886 56.599 1.287 17879 3175 1 5 . 1 1 98 98 GLU CB C 97 31.589 31.589 31.151 0.439 17879 3176 1 5 . 1 1 98 98 GLU H H 97 7.117 7.117 7.602 -0.485 17879 3177 1 5 . 1 1 99 99 HIS N N 98 113.377 113.377 117.035 -3.658 17879 3178 1 5 . 1 1 99 99 HIS HA H 98 4.829 4.829 4.853 -0.024 17879 3179 1 5 . 1 1 99 99 HIS C C 98 175.856 175.856 173.912 1.944 17879 3180 1 5 . 1 1 99 99 HIS CA C 98 56.738 56.738 54.472 2.266 17879 3181 1 5 . 1 1 99 99 HIS CB C 98 32.930 32.930 31.389 1.541 17879 3182 1 5 . 1 1 99 99 HIS H H 98 8.247 8.247 7.914 0.333 17879 3183 1 5 . 1 1 100 100 LYS N N 99 120.905 120.905 119.995 0.910 17879 3184 1 5 . 1 1 100 100 LYS HA H 99 3.994 3.994 3.906 0.088 17879 3185 1 5 . 1 1 100 100 LYS C C 99 174.832 174.832 175.989 -1.157 17879 3186 1 5 . 1 1 100 100 LYS CA C 99 57.693 57.693 56.489 1.204 17879 3187 1 5 . 1 1 100 100 LYS CB C 99 31.703 31.703 32.513 -0.810 17879 3188 1 5 . 1 1 100 100 LYS H H 99 8.065 8.065 7.548 0.517 17879 3189 1 5 . 1 1 101 101 ASP N N 100 124.188 124.188 120.293 3.895 17879 3190 1 5 . 1 1 101 101 ASP HA H 100 4.765 4.765 4.911 -0.146 17879 3191 1 5 . 1 1 101 101 ASP C C 100 177.692 177.692 176.493 1.199 17879 3192 1 5 . 1 1 101 101 ASP CA C 100 54.030 54.030 52.258 1.772 17879 3193 1 5 . 1 1 101 101 ASP CB C 100 43.429 43.429 43.982 -0.553 17879 3194 1 5 . 1 1 101 101 ASP H H 100 9.027 9.027 8.022 1.005 17879 3195 1 5 . 1 1 102 102 LYS N N 101 125.898 125.898 119.738 6.160 17879 3196 1 5 . 1 1 102 102 LYS HA H 101 4.239 4.239 4.097 0.142 17879 3197 1 5 . 1 1 102 102 LYS C C 101 178.053 178.053 177.589 0.464 17879 3198 1 5 . 1 1 102 102 LYS CA C 101 59.482 59.482 59.484 -0.002 17879 3199 1 5 . 1 1 102 102 LYS CB C 101 32.821 32.821 32.656 0.166 17879 3200 1 5 . 1 1 102 102 LYS H H 101 8.678 8.678 8.723 -0.045 17879 3201 1 5 . 1 1 103 103 ASP N N 102 119.326 119.326 114.144 5.182 17879 3202 1 5 . 1 1 103 103 ASP HA H 102 4.127 4.127 4.420 -0.293 17879 3203 1 5 . 1 1 103 103 ASP C C 102 176.833 176.833 177.301 -0.468 17879 3204 1 5 . 1 1 103 103 ASP CA C 102 54.666 54.666 55.202 -0.536 17879 3205 1 5 . 1 1 103 103 ASP CB C 102 39.848 39.848 40.508 -0.660 17879 3206 1 5 . 1 1 103 103 ASP H H 102 10.276 10.276 8.817 1.459 17879 3207 1 5 . 1 1 104 104 GLY N N 103 106.059 106.059 106.722 -0.663 17879 3208 1 5 . 1 1 104 104 GLY C C 103 174.655 174.655 174.546 0.109 17879 3209 1 5 . 1 1 104 104 GLY CA C 103 45.319 45.319 45.389 -0.070 17879 3210 1 5 . 1 1 104 104 GLY H H 103 8.173 8.173 8.141 0.032 17879 3211 1 5 . 1 1 105 105 PHE N N 104 121.781 121.781 120.488 1.293 17879 3212 1 5 . 1 1 105 105 PHE HA H 104 4.682 4.682 4.490 0.192 17879 3213 1 5 . 1 1 105 105 PHE C C 104 174.830 174.830 176.177 -1.347 17879 3214 1 5 . 1 1 105 105 PHE CA C 104 59.377 59.377 59.601 -0.224 17879 3215 1 5 . 1 1 105 105 PHE CB C 104 39.938 39.938 39.602 0.336 17879 3216 1 5 . 1 1 105 105 PHE H H 104 9.600 9.600 7.865 1.735 17879 3217 1 5 . 1 1 106 106 LEU N N 105 119.929 119.929 122.218 -2.289 17879 3218 1 5 . 1 1 106 106 LEU HA H 105 4.897 4.897 4.382 0.515 17879 3219 1 5 . 1 1 106 106 LEU C C 105 173.947 173.947 176.117 -2.170 17879 3220 1 5 . 1 1 106 106 LEU CA C 105 53.463 53.463 54.016 -0.552 17879 3221 1 5 . 1 1 106 106 LEU CB C 105 45.066 45.066 43.361 1.705 17879 3222 1 5 . 1 1 106 106 LEU H H 105 8.376 8.376 8.632 -0.256 17879 3223 1 5 . 1 1 107 107 TYR N N 106 127.637 127.637 122.384 5.253 17879 3224 1 5 . 1 1 107 107 TYR HA H 106 4.992 4.992 4.752 0.240 17879 3225 1 5 . 1 1 107 107 TYR C C 106 176.099 176.099 174.797 1.302 17879 3226 1 5 . 1 1 107 107 TYR CA C 106 58.893 58.893 57.384 1.509 17879 3227 1 5 . 1 1 107 107 TYR CB C 106 38.140 38.140 38.308 -0.168 17879 3228 1 5 . 1 1 107 107 TYR H H 106 9.124 9.124 8.558 0.566 17879 3229 1 5 . 1 1 108 108 VAL N N 107 121.630 121.630 122.339 -0.709 17879 3230 1 5 . 1 1 108 108 VAL HA H 107 5.135 5.135 4.645 0.490 17879 3231 1 5 . 1 1 108 108 VAL C C 107 175.722 175.722 174.993 0.729 17879 3232 1 5 . 1 1 108 108 VAL CA C 107 59.587 59.587 59.870 -0.283 17879 3233 1 5 . 1 1 108 108 VAL CB C 107 34.787 34.787 34.678 0.109 17879 3234 1 5 . 1 1 108 108 VAL H H 107 9.560 9.560 8.491 1.069 17879 3235 1 5 . 1 1 109 109 THR N N 108 119.845 119.845 116.749 3.096 17879 3236 1 5 . 1 1 109 109 THR HA H 108 6.155 6.155 5.510 0.645 17879 3237 1 5 . 1 1 109 109 THR C C 108 174.158 174.158 173.072 1.086 17879 3238 1 5 . 1 1 109 109 THR CA C 108 59.869 59.869 61.645 -1.776 17879 3239 1 5 . 1 1 109 109 THR CB C 108 72.268 72.268 72.265 0.003 17879 3240 1 5 . 1 1 109 109 THR H H 108 9.061 9.061 8.090 0.971 17879 3241 1 5 . 1 1 110 110 TYR N N 109 119.706 119.706 119.756 -0.050 17879 3242 1 5 . 1 1 110 110 TYR HA H 109 6.332 6.332 5.892 0.440 17879 3243 1 5 . 1 1 110 110 TYR C C 109 173.366 173.366 173.399 -0.033 17879 3244 1 5 . 1 1 110 110 TYR CA C 109 54.655 54.655 55.609 -0.954 17879 3245 1 5 . 1 1 110 110 TYR CB C 109 42.250 42.250 41.623 0.627 17879 3246 1 5 . 1 1 110 110 TYR H H 109 8.461 8.461 9.121 -0.660 17879 3247 1 5 . 1 1 111 111 SER N N 110 112.907 112.907 117.046 -4.139 17879 3248 1 5 . 1 1 111 111 SER HA H 110 4.745 4.745 4.947 -0.202 17879 3249 1 5 . 1 1 111 111 SER C C 110 173.692 173.692 174.273 -0.581 17879 3250 1 5 . 1 1 111 111 SER CA C 110 56.044 56.044 56.810 -0.767 17879 3251 1 5 . 1 1 111 111 SER CB C 110 66.177 66.177 67.185 -1.008 17879 3252 1 5 . 1 1 111 111 SER H H 110 9.089 9.089 9.056 0.033 17879 3253 1 5 . 1 1 112 112 GLY N N 111 111.054 111.054 107.791 3.263 17879 3254 1 5 . 1 1 112 112 GLY C C 111 173.331 173.331 173.862 -0.531 17879 3255 1 5 . 1 1 112 112 GLY CA C 111 45.341 45.341 45.344 -0.003 17879 3256 1 5 . 1 1 112 112 GLY H H 111 8.443 8.443 9.042 -0.599 17879 3257 1 5 . 1 1 113 113 GLU N N 112 118.801 118.801 118.562 0.239 17879 3258 1 5 . 1 1 113 113 GLU HA H 112 4.660 4.660 4.474 0.186 17879 3259 1 5 . 1 1 113 113 GLU C C 112 174.538 174.538 175.008 -0.470 17879 3260 1 5 . 1 1 113 113 GLU CA C 112 55.642 55.642 54.891 0.751 17879 3261 1 5 . 1 1 113 113 GLU CB C 112 32.930 32.930 31.521 1.409 17879 3262 1 5 . 1 1 113 113 GLU H H 112 8.413 8.413 7.756 0.657 17879 3263 1 5 . 1 1 114 114 ASN N N 113 118.152 118.152 118.105 0.047 17879 3264 1 5 . 1 1 114 114 ASN HA H 113 4.187 4.187 4.128 0.059 17879 3265 1 5 . 1 1 114 114 ASN C C 113 175.011 175.011 174.135 0.876 17879 3266 1 5 . 1 1 114 114 ASN CA C 113 51.910 51.910 52.868 -0.958 17879 3267 1 5 . 1 1 114 114 ASN CB C 113 36.865 36.865 38.269 -1.404 17879 3268 1 5 . 1 1 114 114 ASN H H 113 8.207 8.207 8.419 -0.212 17879 3269 1 5 . 1 1 115 115 THR N N 114 112.887 112.887 112.504 0.383 17879 3270 1 5 . 1 1 115 115 THR HA H 114 4.190 4.190 4.766 -0.576 17879 3271 1 5 . 1 1 115 115 THR C C 114 173.575 173.575 173.421 0.154 17879 3272 1 5 . 1 1 115 115 THR CA C 114 61.149 61.149 60.542 0.607 17879 3273 1 5 . 1 1 115 115 THR CB C 114 69.859 69.859 71.047 -1.188 17879 3274 1 5 . 1 1 115 115 THR H H 114 7.411 7.411 7.405 0.006 17879 3275 1 5 . 1 1 116 116 PHE N N 115 121.474 121.474 117.601 3.873 17879 3276 1 5 . 1 1 116 116 PHE HA H 115 4.451 4.451 4.505 -0.054 17879 3277 1 5 . 1 1 116 116 PHE C C 115 175.078 175.078 174.649 0.429 17879 3278 1 5 . 1 1 116 116 PHE CA C 115 57.681 57.681 56.013 1.668 17879 3279 1 5 . 1 1 116 116 PHE CB C 115 39.569 39.569 38.505 1.064 17879 3280 1 5 . 1 1 116 116 PHE H H 115 8.021 8.021 7.673 0.348 17879 3281 1 6 . 1 1 2 2 MET N N 1 122.410 122.410 121.575 0.835 17879 3282 1 6 . 1 1 2 2 MET HA H 1 4.455 4.455 4.561 -0.106 17879 3283 1 6 . 1 1 2 2 MET C C 1 175.655 175.655 175.522 0.133 17879 3284 1 6 . 1 1 2 2 MET CA C 1 55.438 55.438 56.089 -0.651 17879 3285 1 6 . 1 1 2 2 MET CB C 1 33.126 33.126 34.078 -0.952 17879 3286 1 6 . 1 1 2 2 MET H H 1 8.425 8.425 8.390 0.035 17879 3287 1 6 . 1 1 3 3 LYS N N 2 123.656 123.656 118.495 5.161 17879 3288 1 6 . 1 1 3 3 LYS HA H 2 4.326 4.326 4.823 -0.497 17879 3289 1 6 . 1 1 3 3 LYS C C 2 176.266 176.266 175.876 0.390 17879 3290 1 6 . 1 1 3 3 LYS CA C 2 56.348 56.348 56.367 -0.020 17879 3291 1 6 . 1 1 3 3 LYS CB C 2 33.219 33.219 33.926 -0.707 17879 3292 1 6 . 1 1 3 3 LYS H H 2 8.512 8.512 8.406 0.106 17879 3293 1 6 . 1 1 4 4 SER N N 3 118.350 118.350 116.464 1.886 17879 3294 1 6 . 1 1 4 4 SER HA H 3 4.631 4.631 4.441 0.190 17879 3295 1 6 . 1 1 4 4 SER C C 3 175.421 175.421 174.749 0.672 17879 3296 1 6 . 1 1 4 4 SER CA C 3 57.629 57.629 58.216 -0.587 17879 3297 1 6 . 1 1 4 4 SER CB C 3 64.079 64.079 63.717 0.362 17879 3298 1 6 . 1 1 4 4 SER H H 3 8.426 8.426 7.939 0.487 17879 3299 1 6 . 1 1 5 5 THR N N 4 127.775 127.775 118.413 9.362 17879 3300 1 6 . 1 1 5 5 THR HA H 4 4.482 4.482 4.429 0.053 17879 3301 1 6 . 1 1 5 5 THR C C 4 174.680 174.680 175.333 -0.653 17879 3302 1 6 . 1 1 5 5 THR CA C 4 62.001 62.001 63.044 -1.043 17879 3303 1 6 . 1 1 5 5 THR CB C 4 70.137 70.137 69.631 0.506 17879 3304 1 6 . 1 1 5 5 THR H H 4 9.971 9.971 8.323 1.648 17879 3305 1 6 . 1 1 6 6 PHE N N 5 123.021 123.021 122.963 0.058 17879 3306 1 6 . 1 1 6 6 PHE HA H 5 4.125 4.125 4.398 -0.273 17879 3307 1 6 . 1 1 6 6 PHE C C 5 177.064 177.064 176.065 0.999 17879 3308 1 6 . 1 1 6 6 PHE CA C 5 63.041 63.041 60.385 2.656 17879 3309 1 6 . 1 1 6 6 PHE CB C 5 40.828 40.828 39.148 1.680 17879 3310 1 6 . 1 1 6 6 PHE H H 5 8.863 8.863 8.532 0.331 17879 3311 1 6 . 1 1 7 7 LYS N N 6 114.006 114.006 119.025 -5.019 17879 3312 1 6 . 1 1 7 7 LYS HA H 6 3.916 3.916 3.470 0.446 17879 3313 1 6 . 1 1 7 7 LYS C C 6 177.535 177.535 178.230 -0.695 17879 3314 1 6 . 1 1 7 7 LYS CA C 6 60.026 60.026 58.255 1.772 17879 3315 1 6 . 1 1 7 7 LYS CB C 6 33.611 33.611 31.885 1.726 17879 3316 1 6 . 1 1 7 7 LYS H H 6 8.661 8.661 8.078 0.583 17879 3317 1 6 . 1 1 8 8 SER N N 7 111.149 111.149 113.817 -2.668 17879 3318 1 6 . 1 1 8 8 SER HA H 7 4.275 4.275 4.105 0.170 17879 3319 1 6 . 1 1 8 8 SER C C 7 175.689 175.689 175.706 -0.017 17879 3320 1 6 . 1 1 8 8 SER CA C 7 60.007 60.007 60.339 -0.332 17879 3321 1 6 . 1 1 8 8 SER CB C 7 63.759 63.759 62.851 0.908 17879 3322 1 6 . 1 1 8 8 SER H H 7 7.552 7.552 8.258 -0.706 17879 3323 1 6 . 1 1 9 9 GLU N N 8 122.296 122.296 120.384 1.912 17879 3324 1 6 . 1 1 9 9 GLU HA H 8 3.818 3.818 4.077 -0.259 17879 3325 1 6 . 1 1 9 9 GLU C C 8 176.068 176.068 176.918 -0.850 17879 3326 1 6 . 1 1 9 9 GLU CA C 8 58.137 58.137 58.441 -0.304 17879 3327 1 6 . 1 1 9 9 GLU CB C 8 30.965 30.965 30.074 0.891 17879 3328 1 6 . 1 1 9 9 GLU H H 8 7.924 7.924 7.440 0.484 17879 3329 1 6 . 1 1 10 10 TYR N N 9 115.131 115.131 113.155 1.976 17879 3330 1 6 . 1 1 10 10 TYR HA H 9 5.066 5.066 4.960 0.106 17879 3331 1 6 . 1 1 10 10 TYR CA C 9 53.958 53.958 54.095 -0.137 17879 3332 1 6 . 1 1 10 10 TYR CB C 9 41.055 41.055 37.629 3.426 17879 3333 1 6 . 1 1 10 10 TYR H H 9 7.052 7.052 6.980 0.072 17879 3334 1 6 . 1 1 11 11 PRO HA H 10 4.708 4.708 4.632 0.076 17879 3335 1 6 . 1 1 11 11 PRO C C 10 177.384 177.384 177.465 -0.081 17879 3336 1 6 . 1 1 11 11 PRO CA C 10 62.279 62.279 61.791 0.488 17879 3337 1 6 . 1 1 11 11 PRO CB C 10 33.087 33.087 32.808 0.279 17879 3338 1 6 . 1 1 12 12 PHE N N 11 125.307 125.307 121.256 4.051 17879 3339 1 6 . 1 1 12 12 PHE HA H 11 3.883 3.883 4.316 -0.433 17879 3340 1 6 . 1 1 12 12 PHE C C 11 176.157 176.157 177.069 -0.912 17879 3341 1 6 . 1 1 12 12 PHE CA C 11 63.156 63.156 62.268 0.888 17879 3342 1 6 . 1 1 12 12 PHE CB C 11 39.935 39.935 39.384 0.551 17879 3343 1 6 . 1 1 12 12 PHE H H 11 9.385 9.385 8.735 0.650 17879 3344 1 6 . 1 1 13 13 GLU N N 12 115.356 115.356 117.856 -2.500 17879 3345 1 6 . 1 1 13 13 GLU HA H 12 3.857 3.857 4.034 -0.177 17879 3346 1 6 . 1 1 13 13 GLU C C 12 179.598 179.598 178.839 0.759 17879 3347 1 6 . 1 1 13 13 GLU CA C 12 60.317 60.317 59.823 0.494 17879 3348 1 6 . 1 1 13 13 GLU CB C 12 28.642 28.642 28.889 -0.247 17879 3349 1 6 . 1 1 13 13 GLU H H 12 9.800 9.800 9.117 0.683 17879 3350 1 6 . 1 1 14 14 LYS N N 13 118.194 118.194 119.490 -1.296 17879 3351 1 6 . 1 1 14 14 LYS HA H 13 4.246 4.246 4.230 0.016 17879 3352 1 6 . 1 1 14 14 LYS C C 13 178.804 178.804 178.276 0.528 17879 3353 1 6 . 1 1 14 14 LYS CA C 13 58.143 58.143 58.213 -0.070 17879 3354 1 6 . 1 1 14 14 LYS CB C 13 32.770 32.770 32.445 0.325 17879 3355 1 6 . 1 1 14 14 LYS H H 13 7.160 7.160 7.271 -0.111 17879 3356 1 6 . 1 1 15 15 ARG N N 14 120.949 120.949 119.038 1.911 17879 3357 1 6 . 1 1 15 15 ARG HA H 14 3.892 3.892 4.330 -0.438 17879 3358 1 6 . 1 1 15 15 ARG C C 14 176.858 176.858 178.472 -1.614 17879 3359 1 6 . 1 1 15 15 ARG CA C 14 61.520 61.520 59.360 2.160 17879 3360 1 6 . 1 1 15 15 ARG CB C 14 32.840 32.840 30.268 2.572 17879 3361 1 6 . 1 1 15 15 ARG H H 14 7.686 7.686 8.531 -0.845 17879 3362 1 6 . 1 1 16 16 LYS N N 15 119.224 119.224 119.038 0.186 17879 3363 1 6 . 1 1 16 16 LYS HA H 15 4.449 4.449 4.445 0.004 17879 3364 1 6 . 1 1 16 16 LYS C C 15 177.796 177.796 177.791 0.005 17879 3365 1 6 . 1 1 16 16 LYS CA C 15 57.366 57.366 58.335 -0.969 17879 3366 1 6 . 1 1 16 16 LYS CB C 15 32.529 32.529 31.965 0.564 17879 3367 1 6 . 1 1 16 16 LYS H H 15 8.667 8.667 8.365 0.302 17879 3368 1 6 . 1 1 17 17 ALA N N 16 117.777 117.777 121.826 -4.049 17879 3369 1 6 . 1 1 17 17 ALA HA H 16 4.164 4.164 3.987 0.177 17879 3370 1 6 . 1 1 17 17 ALA C C 16 180.641 180.641 179.374 1.267 17879 3371 1 6 . 1 1 17 17 ALA CA C 16 54.627 54.627 54.550 0.077 17879 3372 1 6 . 1 1 17 17 ALA CB C 16 18.114 18.114 18.133 -0.019 17879 3373 1 6 . 1 1 17 17 ALA H H 16 7.305 7.305 7.500 -0.195 17879 3374 1 6 . 1 1 18 18 GLU N N 17 119.934 119.934 118.680 1.254 17879 3375 1 6 . 1 1 18 18 GLU HA H 17 4.695 4.695 4.038 0.657 17879 3376 1 6 . 1 1 18 18 GLU C C 17 178.339 178.339 178.443 -0.104 17879 3377 1 6 . 1 1 18 18 GLU CA C 17 58.173 58.173 58.876 -0.702 17879 3378 1 6 . 1 1 18 18 GLU CB C 17 28.765 28.765 29.556 -0.791 17879 3379 1 6 . 1 1 18 18 GLU H H 17 7.849 7.849 7.731 0.118 17879 3380 1 6 . 1 1 19 19 SER N N 18 117.685 117.685 113.170 4.515 17879 3381 1 6 . 1 1 19 19 SER HA H 18 3.542 3.542 3.911 -0.369 17879 3382 1 6 . 1 1 19 19 SER C C 18 178.206 178.206 176.458 1.748 17879 3383 1 6 . 1 1 19 19 SER CA C 18 62.108 62.108 61.004 1.104 17879 3384 1 6 . 1 1 19 19 SER CB C 18 59.839 59.839 62.519 -2.680 17879 3385 1 6 . 1 1 19 19 SER H H 18 8.785 8.785 7.447 1.338 17879 3386 1 6 . 1 1 20 20 GLU N N 19 124.346 124.346 120.833 3.513 17879 3387 1 6 . 1 1 20 20 GLU HA H 19 3.988 3.988 4.195 -0.207 17879 3388 1 6 . 1 1 20 20 GLU C C 19 178.788 178.788 177.776 1.012 17879 3389 1 6 . 1 1 20 20 GLU CA C 19 59.701 59.701 58.364 1.337 17879 3390 1 6 . 1 1 20 20 GLU CB C 19 29.318 29.318 29.903 -0.585 17879 3391 1 6 . 1 1 20 20 GLU H H 19 8.052 8.052 7.729 0.323 17879 3392 1 6 . 1 1 21 21 ARG N N 20 122.089 122.089 117.318 4.771 17879 3393 1 6 . 1 1 21 21 ARG HA H 20 4.093 4.093 4.413 -0.320 17879 3394 1 6 . 1 1 21 21 ARG C C 20 179.458 179.458 178.045 1.413 17879 3395 1 6 . 1 1 21 21 ARG CA C 20 59.500 59.500 57.707 1.793 17879 3396 1 6 . 1 1 21 21 ARG CB C 20 30.412 30.412 30.957 -0.545 17879 3397 1 6 . 1 1 21 21 ARG H H 20 7.958 7.958 7.945 0.013 17879 3398 1 6 . 1 1 22 22 ILE N N 21 119.893 119.893 121.047 -1.154 17879 3399 1 6 . 1 1 22 22 ILE HA H 21 3.623 3.623 3.788 -0.165 17879 3400 1 6 . 1 1 22 22 ILE C C 21 176.842 176.842 177.193 -0.351 17879 3401 1 6 . 1 1 22 22 ILE CA C 21 65.145 65.145 64.706 0.439 17879 3402 1 6 . 1 1 22 22 ILE CB C 21 38.195 38.195 37.830 0.365 17879 3403 1 6 . 1 1 22 22 ILE H H 21 8.277 8.277 8.645 -0.368 17879 3404 1 6 . 1 1 23 23 ALA N N 22 121.816 121.816 120.705 1.111 17879 3405 1 6 . 1 1 23 23 ALA HA H 22 4.071 4.071 4.086 -0.015 17879 3406 1 6 . 1 1 23 23 ALA C C 22 179.199 179.199 177.746 1.453 17879 3407 1 6 . 1 1 23 23 ALA CA C 22 54.519 54.519 54.177 0.342 17879 3408 1 6 . 1 1 23 23 ALA CB C 22 18.001 18.001 18.416 -0.415 17879 3409 1 6 . 1 1 23 23 ALA H H 22 7.962 7.962 8.042 -0.080 17879 3410 1 6 . 1 1 24 24 ASP N N 23 114.866 114.866 117.737 -2.871 17879 3411 1 6 . 1 1 24 24 ASP HA H 23 4.401 4.401 4.557 -0.156 17879 3412 1 6 . 1 1 24 24 ASP C C 23 177.324 177.324 178.074 -0.750 17879 3413 1 6 . 1 1 24 24 ASP CA C 23 56.248 56.248 55.297 0.951 17879 3414 1 6 . 1 1 24 24 ASP CB C 23 42.193 42.193 41.575 0.618 17879 3415 1 6 . 1 1 24 24 ASP H H 23 7.368 7.368 7.742 -0.374 17879 3416 1 6 . 1 1 25 25 ARG N N 24 116.868 116.868 119.423 -2.555 17879 3417 1 6 . 1 1 25 25 ARG HA H 24 3.922 3.922 3.767 0.155 17879 3418 1 6 . 1 1 25 25 ARG C C 24 176.266 176.266 176.506 -0.240 17879 3419 1 6 . 1 1 25 25 ARG CA C 24 57.158 57.158 58.059 -0.902 17879 3420 1 6 . 1 1 25 25 ARG CB C 24 31.477 31.477 30.727 0.750 17879 3421 1 6 . 1 1 25 25 ARG H H 24 7.815 7.815 8.075 -0.260 17879 3422 1 6 . 1 1 26 26 PHE N N 25 116.737 116.737 115.113 1.624 17879 3423 1 6 . 1 1 26 26 PHE HA H 25 5.084 5.084 4.869 0.215 17879 3424 1 6 . 1 1 26 26 PHE CA C 25 54.304 54.304 55.163 -0.860 17879 3425 1 6 . 1 1 26 26 PHE CB C 25 39.026 39.026 39.435 -0.409 17879 3426 1 6 . 1 1 26 26 PHE H H 25 8.658 8.658 7.841 0.817 17879 3427 1 6 . 1 1 27 27 PRO HA H 26 4.503 4.503 4.377 0.126 17879 3428 1 6 . 1 1 27 27 PRO C C 26 177.538 177.538 177.251 0.287 17879 3429 1 6 . 1 1 27 27 PRO CA C 26 64.394 64.394 64.360 0.034 17879 3430 1 6 . 1 1 27 27 PRO CB C 26 31.961 31.961 32.090 -0.129 17879 3431 1 6 . 1 1 28 28 ASN N N 27 114.596 114.596 117.750 -3.154 17879 3432 1 6 . 1 1 28 28 ASN HA H 27 4.725 4.725 4.793 -0.068 17879 3433 1 6 . 1 1 28 28 ASN C C 27 174.678 174.678 174.168 0.510 17879 3434 1 6 . 1 1 28 28 ASN CA C 27 52.868 52.868 52.869 -0.001 17879 3435 1 6 . 1 1 28 28 ASN CB C 27 38.331 38.331 38.573 -0.242 17879 3436 1 6 . 1 1 28 28 ASN H H 27 8.537 8.537 8.611 -0.074 17879 3437 1 6 . 1 1 29 29 ARG N N 28 116.946 116.946 119.231 -2.285 17879 3438 1 6 . 1 1 29 29 ARG HA H 28 4.769 4.769 4.530 0.239 17879 3439 1 6 . 1 1 29 29 ARG C C 28 174.469 174.469 174.454 0.015 17879 3440 1 6 . 1 1 29 29 ARG CA C 28 52.948 52.948 54.273 -1.325 17879 3441 1 6 . 1 1 29 29 ARG CB C 28 32.941 32.941 33.137 -0.196 17879 3442 1 6 . 1 1 29 29 ARG H H 28 7.580 7.580 7.231 0.349 17879 3443 1 6 . 1 1 30 30 ILE N N 29 121.854 121.854 120.911 0.943 17879 3444 1 6 . 1 1 30 30 ILE HA H 29 4.098 4.098 4.145 -0.047 17879 3445 1 6 . 1 1 30 30 ILE CA C 29 55.558 55.558 56.834 -1.276 17879 3446 1 6 . 1 1 30 30 ILE CB C 29 38.805 38.805 39.306 -0.501 17879 3447 1 6 . 1 1 30 30 ILE H H 29 9.262 9.262 8.713 0.549 17879 3448 1 6 . 1 1 31 31 PRO HA H 30 4.856 4.856 4.716 0.140 17879 3449 1 6 . 1 1 31 31 PRO C C 30 174.121 174.121 176.424 -2.303 17879 3450 1 6 . 1 1 31 31 PRO CA C 30 61.705 61.705 62.654 -0.949 17879 3451 1 6 . 1 1 31 31 PRO CB C 30 30.966 30.966 30.611 0.355 17879 3452 1 6 . 1 1 32 32 VAL N N 31 127.197 127.197 120.532 6.665 17879 3453 1 6 . 1 1 32 32 VAL HA H 31 4.997 4.997 4.886 0.111 17879 3454 1 6 . 1 1 32 32 VAL C C 31 174.181 174.181 173.775 0.406 17879 3455 1 6 . 1 1 32 32 VAL CA C 31 60.620 60.620 59.370 1.250 17879 3456 1 6 . 1 1 32 32 VAL CB C 31 35.645 35.645 35.721 -0.076 17879 3457 1 6 . 1 1 32 32 VAL H H 31 9.096 9.096 9.061 0.035 17879 3458 1 6 . 1 1 33 33 ILE N N 32 127.157 127.157 120.808 6.349 17879 3459 1 6 . 1 1 33 33 ILE HA H 32 4.917 4.917 4.548 0.369 17879 3460 1 6 . 1 1 33 33 ILE C C 32 174.991 174.991 175.252 -0.261 17879 3461 1 6 . 1 1 33 33 ILE CA C 32 56.589 56.589 59.792 -3.203 17879 3462 1 6 . 1 1 33 33 ILE CB C 32 35.908 35.908 38.632 -2.724 17879 3463 1 6 . 1 1 33 33 ILE H H 32 8.775 8.775 8.484 0.291 17879 3464 1 6 . 1 1 34 34 CYS N N 33 129.280 129.280 127.383 1.897 17879 3465 1 6 . 1 1 34 34 CYS HA H 33 5.559 5.559 4.542 1.017 17879 3466 1 6 . 1 1 34 34 CYS C C 33 173.218 173.218 173.467 -0.249 17879 3467 1 6 . 1 1 34 34 CYS CA C 33 57.121 57.121 59.582 -2.461 17879 3468 1 6 . 1 1 34 34 CYS CB C 33 28.880 28.880 28.657 0.223 17879 3469 1 6 . 1 1 34 34 CYS H H 33 9.738 9.738 9.248 0.490 17879 3470 1 6 . 1 1 35 35 GLU N N 34 124.130 124.130 124.375 -0.245 17879 3471 1 6 . 1 1 35 35 GLU HA H 34 4.977 4.977 4.663 0.314 17879 3472 1 6 . 1 1 35 35 GLU C C 34 174.190 174.190 173.912 0.278 17879 3473 1 6 . 1 1 35 35 GLU CA C 34 54.308 54.308 55.301 -0.993 17879 3474 1 6 . 1 1 35 35 GLU CB C 34 35.281 35.281 33.329 1.952 17879 3475 1 6 . 1 1 35 35 GLU H H 34 8.531 8.531 8.129 0.402 17879 3476 1 6 . 1 1 36 36 LYS N N 35 123.562 123.562 124.076 -0.514 17879 3477 1 6 . 1 1 36 36 LYS HA H 35 3.056 3.056 3.850 -0.794 17879 3478 1 6 . 1 1 36 36 LYS C C 35 177.452 177.452 176.442 1.010 17879 3479 1 6 . 1 1 36 36 LYS CA C 35 56.374 56.374 54.253 2.121 17879 3480 1 6 . 1 1 36 36 LYS CB C 35 32.750 32.750 32.794 -0.044 17879 3481 1 6 . 1 1 36 36 LYS H H 35 8.949 8.949 8.558 0.391 17879 3482 1 6 . 1 1 37 37 ALA N N 36 129.494 129.494 128.667 0.827 17879 3483 1 6 . 1 1 37 37 ALA HA H 36 4.163 4.163 4.101 0.062 17879 3484 1 6 . 1 1 37 37 ALA C C 36 178.375 178.375 177.602 0.773 17879 3485 1 6 . 1 1 37 37 ALA CA C 36 52.702 52.702 52.799 -0.097 17879 3486 1 6 . 1 1 37 37 ALA CB C 36 18.673 18.673 19.331 -0.658 17879 3487 1 6 . 1 1 37 37 ALA H H 36 8.561 8.561 7.769 0.792 17879 3488 1 6 . 1 1 38 38 GLU N N 37 125.115 125.115 118.785 6.330 17879 3489 1 6 . 1 1 38 38 GLU HA H 37 3.959 3.959 4.128 -0.169 17879 3490 1 6 . 1 1 38 38 GLU C C 37 177.516 177.516 178.163 -0.647 17879 3491 1 6 . 1 1 38 38 GLU CA C 37 59.302 59.302 57.521 1.781 17879 3492 1 6 . 1 1 38 38 GLU CB C 37 30.154 30.154 29.908 0.246 17879 3493 1 6 . 1 1 38 38 GLU H H 37 8.648 8.648 8.669 -0.021 17879 3494 1 6 . 1 1 39 39 LYS N N 38 115.020 115.020 119.911 -4.891 17879 3495 1 6 . 1 1 39 39 LYS HA H 38 4.188 4.188 4.043 0.145 17879 3496 1 6 . 1 1 39 39 LYS C C 38 176.244 176.244 176.797 -0.553 17879 3497 1 6 . 1 1 39 39 LYS CA C 38 56.564 56.564 57.678 -1.113 17879 3498 1 6 . 1 1 39 39 LYS CB C 38 31.484 31.484 32.416 -0.932 17879 3499 1 6 . 1 1 39 39 LYS H H 38 8.494 8.494 8.285 0.209 17879 3500 1 6 . 1 1 40 40 SER N N 39 113.091 113.091 112.726 0.365 17879 3501 1 6 . 1 1 40 40 SER HA H 39 4.535 4.535 4.270 0.265 17879 3502 1 6 . 1 1 40 40 SER C C 39 174.896 174.896 174.414 0.482 17879 3503 1 6 . 1 1 40 40 SER CA C 39 57.985 57.985 59.455 -1.470 17879 3504 1 6 . 1 1 40 40 SER CB C 39 65.000 65.000 63.612 1.388 17879 3505 1 6 . 1 1 40 40 SER H H 39 7.346 7.346 7.904 -0.558 17879 3506 1 6 . 1 1 41 41 ASP N N 40 127.375 127.375 120.427 6.948 17879 3507 1 6 . 1 1 41 41 ASP HA H 40 4.782 4.782 4.859 -0.077 17879 3508 1 6 . 1 1 41 41 ASP C C 40 175.205 175.205 176.290 -1.085 17879 3509 1 6 . 1 1 41 41 ASP CA C 40 53.549 53.549 53.817 -0.268 17879 3510 1 6 . 1 1 41 41 ASP CB C 40 39.916 39.916 41.459 -1.543 17879 3511 1 6 . 1 1 41 41 ASP H H 40 8.744 8.744 8.583 0.161 17879 3512 1 6 . 1 1 42 42 ILE N N 41 122.943 122.943 119.740 3.203 17879 3513 1 6 . 1 1 42 42 ILE HA H 41 4.661 4.661 4.536 0.125 17879 3514 1 6 . 1 1 42 42 ILE CA C 41 59.133 59.133 58.634 0.499 17879 3515 1 6 . 1 1 42 42 ILE CB C 41 40.534 40.534 38.429 2.105 17879 3516 1 6 . 1 1 42 42 ILE H H 41 7.649 7.649 7.300 0.349 17879 3517 1 6 . 1 1 43 43 PRO HA H 42 4.414 4.414 4.531 -0.117 17879 3518 1 6 . 1 1 43 43 PRO C C 42 175.952 175.952 176.109 -0.157 17879 3519 1 6 . 1 1 43 43 PRO CA C 42 63.829 63.829 62.607 1.222 17879 3520 1 6 . 1 1 43 43 PRO CB C 42 32.895 32.895 32.153 0.742 17879 3521 1 6 . 1 1 44 44 GLU N N 43 120.369 120.369 123.598 -3.229 17879 3522 1 6 . 1 1 44 44 GLU HA H 43 4.298 4.298 4.178 0.120 17879 3523 1 6 . 1 1 44 44 GLU C C 43 175.316 175.316 176.801 -1.485 17879 3524 1 6 . 1 1 44 44 GLU CA C 43 56.400 56.400 56.341 0.059 17879 3525 1 6 . 1 1 44 44 GLU CB C 43 31.282 31.282 30.636 0.646 17879 3526 1 6 . 1 1 44 44 GLU H H 43 8.393 8.393 8.426 -0.033 17879 3527 1 6 . 1 1 45 45 ILE N N 44 123.670 123.670 125.192 -1.522 17879 3528 1 6 . 1 1 45 45 ILE HA H 44 4.419 4.419 4.108 0.311 17879 3529 1 6 . 1 1 45 45 ILE C C 44 174.786 174.786 176.101 -1.315 17879 3530 1 6 . 1 1 45 45 ILE CA C 44 61.027 61.027 61.604 -0.577 17879 3531 1 6 . 1 1 45 45 ILE CB C 44 40.509 40.509 39.289 1.220 17879 3532 1 6 . 1 1 45 45 ILE H H 44 8.067 8.067 8.326 -0.259 17879 3533 1 6 . 1 1 46 46 ASP N N 45 123.340 123.340 122.045 1.295 17879 3534 1 6 . 1 1 46 46 ASP HA H 45 4.412 4.412 4.517 -0.105 17879 3535 1 6 . 1 1 46 46 ASP C C 45 175.494 175.494 175.631 -0.137 17879 3536 1 6 . 1 1 46 46 ASP CA C 45 55.467 55.467 57.544 -2.077 17879 3537 1 6 . 1 1 46 46 ASP CB C 45 40.320 40.320 41.338 -1.018 17879 3538 1 6 . 1 1 46 46 ASP H H 45 8.468 8.468 8.726 -0.258 17879 3539 1 6 . 1 1 47 47 LYS N N 46 121.295 121.295 114.465 6.830 17879 3540 1 6 . 1 1 47 47 LYS HA H 46 4.428 4.428 4.809 -0.381 17879 3541 1 6 . 1 1 47 47 LYS CA C 46 56.020 56.020 54.563 1.457 17879 3542 1 6 . 1 1 47 47 LYS CB C 46 34.644 34.644 34.944 -0.300 17879 3543 1 6 . 1 1 47 47 LYS H H 46 7.319 7.319 7.575 -0.256 17879 3544 1 6 . 1 1 48 48 ARG N N 47 124.949 124.949 120.275 4.674 17879 3545 1 6 . 1 1 48 48 ARG HA H 47 5.271 5.271 4.960 0.311 17879 3546 1 6 . 1 1 48 48 ARG C C 47 173.546 173.546 175.134 -1.588 17879 3547 1 6 . 1 1 48 48 ARG CA C 47 55.581 55.581 55.438 0.143 17879 3548 1 6 . 1 1 48 48 ARG CB C 47 32.992 32.992 30.497 2.495 17879 3549 1 6 . 1 1 48 48 ARG H H 47 8.558 8.558 8.442 0.116 17879 3550 1 6 . 1 1 49 49 LYS N N 48 122.812 122.812 124.377 -1.565 17879 3551 1 6 . 1 1 49 49 LYS HA H 48 5.030 5.030 4.256 0.774 17879 3552 1 6 . 1 1 49 49 LYS C C 48 174.301 174.301 173.916 0.385 17879 3553 1 6 . 1 1 49 49 LYS CA C 48 55.042 55.042 56.226 -1.184 17879 3554 1 6 . 1 1 49 49 LYS CB C 48 34.065 34.065 33.817 0.248 17879 3555 1 6 . 1 1 49 49 LYS H H 48 7.440 7.440 8.208 -0.768 17879 3556 1 6 . 1 1 50 50 TYR N N 49 124.842 124.842 124.760 0.082 17879 3557 1 6 . 1 1 50 50 TYR HA H 49 4.721 4.721 4.670 0.051 17879 3558 1 6 . 1 1 50 50 TYR C C 49 173.674 173.674 174.012 -0.338 17879 3559 1 6 . 1 1 50 50 TYR CA C 49 57.192 57.192 57.113 0.079 17879 3560 1 6 . 1 1 50 50 TYR CB C 49 43.123 43.123 42.335 0.788 17879 3561 1 6 . 1 1 50 50 TYR H H 49 9.590 9.590 9.033 0.557 17879 3562 1 6 . 1 1 51 51 LEU N N 50 124.138 124.138 127.409 -3.271 17879 3563 1 6 . 1 1 51 51 LEU HA H 50 4.753 4.753 4.666 0.087 17879 3564 1 6 . 1 1 51 51 LEU C C 50 176.050 176.050 175.510 0.540 17879 3565 1 6 . 1 1 51 51 LEU CA C 50 53.158 53.158 54.080 -0.922 17879 3566 1 6 . 1 1 51 51 LEU CB C 50 41.155 41.155 41.627 -0.471 17879 3567 1 6 . 1 1 51 51 LEU H H 50 8.901 8.901 8.757 0.144 17879 3568 1 6 . 1 1 52 52 VAL N N 51 123.181 123.181 119.655 3.526 17879 3569 1 6 . 1 1 52 52 VAL HA H 51 3.948 3.948 4.574 -0.626 17879 3570 1 6 . 1 1 52 52 VAL CA C 51 59.724 59.724 59.037 0.687 17879 3571 1 6 . 1 1 52 52 VAL CB C 51 33.605 33.605 32.441 1.164 17879 3572 1 6 . 1 1 52 52 VAL H H 51 8.513 8.513 7.915 0.598 17879 3573 1 6 . 1 1 53 53 PRO HA H 52 4.305 4.305 4.383 -0.078 17879 3574 1 6 . 1 1 53 53 PRO C C 52 176.607 176.607 176.065 0.542 17879 3575 1 6 . 1 1 53 53 PRO CA C 52 63.950 63.950 62.005 1.945 17879 3576 1 6 . 1 1 53 53 PRO CB C 52 32.163 32.163 32.477 -0.314 17879 3577 1 6 . 1 1 54 54 ALA N N 53 123.771 123.771 120.186 3.585 17879 3578 1 6 . 1 1 54 54 ALA HA H 53 3.720 3.720 4.204 -0.484 17879 3579 1 6 . 1 1 54 54 ALA C C 53 176.409 176.409 176.891 -0.482 17879 3580 1 6 . 1 1 54 54 ALA CA C 53 54.742 54.742 52.627 2.115 17879 3581 1 6 . 1 1 54 54 ALA CB C 53 18.948 18.948 19.443 -0.495 17879 3582 1 6 . 1 1 54 54 ALA H H 53 7.926 7.926 8.310 -0.384 17879 3583 1 6 . 1 1 55 55 ASP N N 54 111.152 111.152 117.775 -6.623 17879 3584 1 6 . 1 1 55 55 ASP HA H 54 4.621 4.621 4.639 -0.018 17879 3585 1 6 . 1 1 55 55 ASP C C 54 175.823 175.823 176.083 -0.260 17879 3586 1 6 . 1 1 55 55 ASP CA C 54 52.744 52.744 54.390 -1.646 17879 3587 1 6 . 1 1 55 55 ASP CB C 54 39.861 39.861 41.398 -1.537 17879 3588 1 6 . 1 1 55 55 ASP H H 54 8.106 8.106 7.973 0.133 17879 3589 1 6 . 1 1 56 56 LEU N N 55 121.263 121.263 122.672 -1.409 17879 3590 1 6 . 1 1 56 56 LEU HA H 55 4.351 4.351 4.354 -0.003 17879 3591 1 6 . 1 1 56 56 LEU C C 55 177.459 177.459 176.914 0.545 17879 3592 1 6 . 1 1 56 56 LEU CA C 55 55.472 55.472 54.791 0.681 17879 3593 1 6 . 1 1 56 56 LEU CB C 55 43.593 43.593 42.447 1.146 17879 3594 1 6 . 1 1 56 56 LEU H H 55 7.295 7.295 7.813 -0.518 17879 3595 1 6 . 1 1 57 57 THR N N 56 114.222 114.222 117.432 -3.210 17879 3596 1 6 . 1 1 57 57 THR HA H 56 5.233 5.233 4.599 0.634 17879 3597 1 6 . 1 1 57 57 THR C C 56 176.538 176.538 175.660 0.878 17879 3598 1 6 . 1 1 57 57 THR CA C 56 60.318 60.318 61.377 -1.059 17879 3599 1 6 . 1 1 57 57 THR CB C 56 71.303 71.303 70.596 0.707 17879 3600 1 6 . 1 1 57 57 THR H H 56 8.476 8.476 8.138 0.338 17879 3601 1 6 . 1 1 58 58 VAL N N 57 122.331 122.331 119.944 2.387 17879 3602 1 6 . 1 1 58 58 VAL HA H 57 3.738 3.738 4.024 -0.286 17879 3603 1 6 . 1 1 58 58 VAL C C 57 178.743 178.743 177.836 0.907 17879 3604 1 6 . 1 1 58 58 VAL CA C 57 66.797 66.797 66.064 0.733 17879 3605 1 6 . 1 1 58 58 VAL CB C 57 31.801 31.801 32.113 -0.312 17879 3606 1 6 . 1 1 58 58 VAL H H 57 8.806 8.806 7.846 0.960 17879 3607 1 6 . 1 1 59 59 GLY N N 58 105.470 105.470 105.766 -0.296 17879 3608 1 6 . 1 1 59 59 GLY C C 58 176.924 176.924 176.298 0.626 17879 3609 1 6 . 1 1 59 59 GLY CA C 58 47.317 47.317 47.054 0.263 17879 3610 1 6 . 1 1 59 59 GLY H H 58 9.381 9.381 7.979 1.402 17879 3611 1 6 . 1 1 60 60 GLN N N 59 121.492 121.492 119.348 2.144 17879 3612 1 6 . 1 1 60 60 GLN HA H 59 4.166 4.166 4.331 -0.165 17879 3613 1 6 . 1 1 60 60 GLN C C 59 178.605 178.605 177.816 0.789 17879 3614 1 6 . 1 1 60 60 GLN CA C 59 58.764 58.764 57.426 1.338 17879 3615 1 6 . 1 1 60 60 GLN CB C 59 29.129 29.129 29.071 0.058 17879 3616 1 6 . 1 1 60 60 GLN H H 59 8.027 8.027 7.883 0.144 17879 3617 1 6 . 1 1 61 61 PHE N N 60 122.595 122.595 121.331 1.264 17879 3618 1 6 . 1 1 61 61 PHE HA H 60 4.291 4.291 4.286 0.005 17879 3619 1 6 . 1 1 61 61 PHE C C 60 176.690 176.690 177.241 -0.551 17879 3620 1 6 . 1 1 61 61 PHE CA C 60 61.502 61.502 60.334 1.167 17879 3621 1 6 . 1 1 61 61 PHE CB C 60 39.155 39.155 39.300 -0.145 17879 3622 1 6 . 1 1 61 61 PHE H H 60 8.522 8.522 7.883 0.639 17879 3623 1 6 . 1 1 62 62 VAL N N 61 118.720 118.720 119.783 -1.063 17879 3624 1 6 . 1 1 62 62 VAL HA H 61 3.070 3.070 3.189 -0.119 17879 3625 1 6 . 1 1 62 62 VAL C C 61 176.872 176.872 177.001 -0.129 17879 3626 1 6 . 1 1 62 62 VAL CA C 61 67.040 67.040 66.676 0.364 17879 3627 1 6 . 1 1 62 62 VAL CB C 61 31.119 31.119 31.288 -0.169 17879 3628 1 6 . 1 1 62 62 VAL H H 61 8.705 8.705 8.325 0.380 17879 3629 1 6 . 1 1 63 63 TYR N N 62 118.462 118.462 118.365 0.097 17879 3630 1 6 . 1 1 63 63 TYR HA H 62 3.987 3.987 4.056 -0.069 17879 3631 1 6 . 1 1 63 63 TYR C C 62 177.325 177.325 175.980 1.345 17879 3632 1 6 . 1 1 63 63 TYR CA C 62 61.685 61.685 60.411 1.274 17879 3633 1 6 . 1 1 63 63 TYR CB C 62 37.906 37.906 37.681 0.225 17879 3634 1 6 . 1 1 63 63 TYR H H 62 7.373 7.373 7.903 -0.530 17879 3635 1 6 . 1 1 64 64 VAL N N 63 119.137 119.137 116.347 2.790 17879 3636 1 6 . 1 1 64 64 VAL HA H 63 3.342 3.342 3.136 0.206 17879 3637 1 6 . 1 1 64 64 VAL C C 63 178.326 178.326 177.383 0.943 17879 3638 1 6 . 1 1 64 64 VAL CA C 63 66.615 66.615 64.480 2.135 17879 3639 1 6 . 1 1 64 64 VAL CB C 63 31.157 31.157 31.692 -0.535 17879 3640 1 6 . 1 1 64 64 VAL H H 63 7.376 7.376 7.639 -0.263 17879 3641 1 6 . 1 1 65 65 ILE N N 64 118.858 118.858 119.949 -1.091 17879 3642 1 6 . 1 1 65 65 ILE HA H 64 3.279 3.279 3.676 -0.397 17879 3643 1 6 . 1 1 65 65 ILE C C 64 177.653 177.653 178.049 -0.396 17879 3644 1 6 . 1 1 65 65 ILE CA C 64 63.682 63.682 61.006 2.676 17879 3645 1 6 . 1 1 65 65 ILE CB C 64 36.150 36.150 35.936 0.214 17879 3646 1 6 . 1 1 65 65 ILE H H 64 7.366 7.366 7.519 -0.153 17879 3647 1 6 . 1 1 66 66 ARG N N 65 118.729 118.729 118.581 0.148 17879 3648 1 6 . 1 1 66 66 ARG HA H 65 3.397 3.397 4.022 -0.625 17879 3649 1 6 . 1 1 66 66 ARG C C 65 178.284 178.284 177.550 0.734 17879 3650 1 6 . 1 1 66 66 ARG CA C 65 60.078 60.078 57.728 2.350 17879 3651 1 6 . 1 1 66 66 ARG CB C 65 30.022 30.022 29.904 0.117 17879 3652 1 6 . 1 1 66 66 ARG H H 65 8.463 8.463 8.320 0.143 17879 3653 1 6 . 1 1 67 67 LYS N N 66 116.643 116.643 118.989 -2.346 17879 3654 1 6 . 1 1 67 67 LYS HA H 66 3.951 3.951 4.138 -0.187 17879 3655 1 6 . 1 1 67 67 LYS C C 66 178.989 178.989 178.277 0.712 17879 3656 1 6 . 1 1 67 67 LYS CA C 66 58.347 58.347 58.619 -0.272 17879 3657 1 6 . 1 1 67 67 LYS CB C 66 31.938 31.938 32.485 -0.547 17879 3658 1 6 . 1 1 67 67 LYS H H 66 7.536 7.536 7.545 -0.009 17879 3659 1 6 . 1 1 68 68 ARG N N 67 119.051 119.051 119.573 -0.522 17879 3660 1 6 . 1 1 68 68 ARG HA H 67 4.104 4.104 4.049 0.055 17879 3661 1 6 . 1 1 68 68 ARG C C 67 178.122 178.122 178.537 -0.415 17879 3662 1 6 . 1 1 68 68 ARG CA C 67 58.182 58.182 58.653 -0.471 17879 3663 1 6 . 1 1 68 68 ARG CB C 67 30.273 30.273 30.265 0.008 17879 3664 1 6 . 1 1 68 68 ARG H H 67 7.783 7.783 7.524 0.259 17879 3665 1 6 . 1 1 69 69 ILE N N 68 112.456 112.456 113.314 -0.858 17879 3666 1 6 . 1 1 69 69 ILE HA H 68 4.223 4.223 4.001 0.222 17879 3667 1 6 . 1 1 69 69 ILE C C 68 174.568 174.568 175.491 -0.923 17879 3668 1 6 . 1 1 69 69 ILE CA C 68 61.502 61.502 61.613 -0.111 17879 3669 1 6 . 1 1 69 69 ILE CB C 68 38.643 38.643 37.791 0.852 17879 3670 1 6 . 1 1 69 69 ILE H H 68 7.675 7.675 7.162 0.513 17879 3671 1 6 . 1 1 70 70 MET N N 69 118.509 118.509 112.918 5.591 17879 3672 1 6 . 1 1 70 70 MET HA H 69 3.982 3.982 4.177 -0.195 17879 3673 1 6 . 1 1 70 70 MET C C 69 175.482 175.482 174.799 0.683 17879 3674 1 6 . 1 1 70 70 MET CA C 69 55.811 55.811 55.751 0.060 17879 3675 1 6 . 1 1 70 70 MET CB C 69 29.392 29.392 30.328 -0.936 17879 3676 1 6 . 1 1 70 70 MET H H 69 7.805 7.805 7.557 0.248 17879 3677 1 6 . 1 1 71 71 LEU N N 70 121.952 121.952 120.713 1.239 17879 3678 1 6 . 1 1 71 71 LEU HA H 70 4.603 4.603 4.343 0.260 17879 3679 1 6 . 1 1 71 71 LEU CA C 70 52.560 52.560 53.557 -0.997 17879 3680 1 6 . 1 1 71 71 LEU CB C 70 44.045 44.045 42.095 1.950 17879 3681 1 6 . 1 1 71 71 LEU H H 70 7.493 7.493 7.609 -0.116 17879 3682 1 6 . 1 1 72 72 PRO HA H 71 4.678 4.678 4.788 -0.110 17879 3683 1 6 . 1 1 72 72 PRO CA C 71 62.124 62.124 61.129 0.995 17879 3684 1 6 . 1 1 72 72 PRO CB C 71 31.307 31.307 31.241 0.066 17879 3685 1 6 . 1 1 73 73 PRO HA H 72 4.123 4.123 4.378 -0.255 17879 3686 1 6 . 1 1 73 73 PRO C C 72 177.052 177.052 176.591 0.461 17879 3687 1 6 . 1 1 73 73 PRO CA C 72 64.924 64.924 64.217 0.707 17879 3688 1 6 . 1 1 73 73 PRO CB C 72 32.049 32.049 32.022 0.027 17879 3689 1 6 . 1 1 74 74 GLU N N 73 115.091 115.091 116.062 -0.971 17879 3690 1 6 . 1 1 74 74 GLU HA H 73 4.181 4.181 4.339 -0.158 17879 3691 1 6 . 1 1 74 74 GLU C C 73 176.459 176.459 176.537 -0.078 17879 3692 1 6 . 1 1 74 74 GLU CA C 73 57.774 57.774 56.247 1.527 17879 3693 1 6 . 1 1 74 74 GLU CB C 73 28.321 28.321 29.002 -0.680 17879 3694 1 6 . 1 1 74 74 GLU H H 73 9.065 9.065 8.544 0.521 17879 3695 1 6 . 1 1 75 75 LYS N N 74 121.755 121.755 119.647 2.108 17879 3696 1 6 . 1 1 75 75 LYS HA H 74 4.520 4.520 4.617 -0.097 17879 3697 1 6 . 1 1 75 75 LYS C C 74 174.789 174.789 174.835 -0.046 17879 3698 1 6 . 1 1 75 75 LYS CA C 74 54.789 54.789 55.141 -0.352 17879 3699 1 6 . 1 1 75 75 LYS CB C 74 32.882 32.882 36.000 -3.118 17879 3700 1 6 . 1 1 75 75 LYS H H 74 7.797 7.797 7.536 0.261 17879 3701 1 6 . 1 1 76 76 ALA N N 75 127.848 127.848 122.785 5.063 17879 3702 1 6 . 1 1 76 76 ALA HA H 75 4.072 4.072 4.730 -0.658 17879 3703 1 6 . 1 1 76 76 ALA C C 75 175.710 175.710 175.264 0.446 17879 3704 1 6 . 1 1 76 76 ALA CA C 75 52.226 52.226 51.014 1.212 17879 3705 1 6 . 1 1 76 76 ALA CB C 75 20.956 20.956 21.456 -0.500 17879 3706 1 6 . 1 1 76 76 ALA H H 75 8.410 8.410 8.520 -0.110 17879 3707 1 6 . 1 1 77 77 ILE N N 76 114.298 114.298 121.412 -7.114 17879 3708 1 6 . 1 1 77 77 ILE HA H 76 4.593 4.593 4.664 -0.071 17879 3709 1 6 . 1 1 77 77 ILE C C 76 172.379 172.379 173.903 -1.524 17879 3710 1 6 . 1 1 77 77 ILE CA C 76 59.699 59.699 61.005 -1.306 17879 3711 1 6 . 1 1 77 77 ILE CB C 76 41.218 41.218 40.547 0.670 17879 3712 1 6 . 1 1 77 77 ILE H H 76 7.193 7.193 7.843 -0.650 17879 3713 1 6 . 1 1 78 78 PHE N N 77 124.094 124.094 126.755 -2.661 17879 3714 1 6 . 1 1 78 78 PHE HA H 77 4.556 4.556 4.889 -0.333 17879 3715 1 6 . 1 1 78 78 PHE C C 77 174.359 174.359 174.781 -0.422 17879 3716 1 6 . 1 1 78 78 PHE CA C 77 56.596 56.596 56.225 0.371 17879 3717 1 6 . 1 1 78 78 PHE CB C 77 42.370 42.370 42.606 -0.236 17879 3718 1 6 . 1 1 78 78 PHE H H 77 8.931 8.931 9.388 -0.457 17879 3719 1 6 . 1 1 79 79 ILE N N 78 117.724 117.724 121.239 -3.515 17879 3720 1 6 . 1 1 79 79 ILE HA H 78 5.233 5.233 5.071 0.162 17879 3721 1 6 . 1 1 79 79 ILE C C 78 173.334 173.334 175.254 -1.920 17879 3722 1 6 . 1 1 79 79 ILE CA C 78 58.130 58.130 60.351 -2.221 17879 3723 1 6 . 1 1 79 79 ILE CB C 78 39.360 39.360 38.441 0.919 17879 3724 1 6 . 1 1 79 79 ILE H H 78 8.025 8.025 8.790 -0.765 17879 3725 1 6 . 1 1 80 80 PHE N N 79 121.084 121.084 125.610 -4.526 17879 3726 1 6 . 1 1 80 80 PHE HA H 79 5.365 5.365 4.798 0.567 17879 3727 1 6 . 1 1 80 80 PHE C C 79 176.270 176.270 173.909 2.361 17879 3728 1 6 . 1 1 80 80 PHE CA C 79 55.948 55.948 57.114 -1.166 17879 3729 1 6 . 1 1 80 80 PHE CB C 79 42.763 42.763 42.846 -0.083 17879 3730 1 6 . 1 1 80 80 PHE H H 79 9.210 9.210 9.150 0.060 17879 3731 1 6 . 1 1 81 81 VAL N N 80 117.974 117.974 122.210 -4.236 17879 3732 1 6 . 1 1 81 81 VAL HA H 80 4.520 4.520 4.472 0.048 17879 3733 1 6 . 1 1 81 81 VAL C C 80 175.699 175.699 175.608 0.091 17879 3734 1 6 . 1 1 81 81 VAL CA C 80 60.484 60.484 61.316 -0.832 17879 3735 1 6 . 1 1 81 81 VAL CB C 80 34.263 34.263 33.735 0.528 17879 3736 1 6 . 1 1 81 81 VAL H H 80 8.832 8.832 8.173 0.659 17879 3737 1 6 . 1 1 82 82 ASN N N 81 127.615 127.615 125.863 1.752 17879 3738 1 6 . 1 1 82 82 ASN HA H 81 4.339 4.339 4.357 -0.018 17879 3739 1 6 . 1 1 82 82 ASN C C 81 174.036 174.036 174.510 -0.474 17879 3740 1 6 . 1 1 82 82 ASN CA C 81 55.231 55.231 54.625 0.606 17879 3741 1 6 . 1 1 82 82 ASN CB C 81 37.408 37.408 37.899 -0.491 17879 3742 1 6 . 1 1 82 82 ASN H H 81 9.689 9.689 9.281 0.408 17879 3743 1 6 . 1 1 83 83 ASP N N 82 112.699 112.699 115.040 -2.341 17879 3744 1 6 . 1 1 83 83 ASP HA H 82 4.135 4.135 4.354 -0.219 17879 3745 1 6 . 1 1 83 83 ASP C C 82 174.560 174.560 174.753 -0.193 17879 3746 1 6 . 1 1 83 83 ASP CA C 82 55.638 55.638 55.628 0.010 17879 3747 1 6 . 1 1 83 83 ASP CB C 82 39.564 39.564 40.330 -0.766 17879 3748 1 6 . 1 1 83 83 ASP H H 82 8.772 8.772 8.521 0.251 17879 3749 1 6 . 1 1 84 84 THR N N 83 112.567 112.567 114.853 -2.286 17879 3750 1 6 . 1 1 84 84 THR HA H 83 4.715 4.715 4.651 0.064 17879 3751 1 6 . 1 1 84 84 THR C C 83 172.200 172.200 173.663 -1.463 17879 3752 1 6 . 1 1 84 84 THR CA C 83 60.868 60.868 61.521 -0.653 17879 3753 1 6 . 1 1 84 84 THR CB C 83 72.206 72.206 70.527 1.679 17879 3754 1 6 . 1 1 84 84 THR H H 83 8.080 8.080 7.973 0.107 17879 3755 1 6 . 1 1 85 85 LEU N N 84 125.810 125.810 130.904 -5.094 17879 3756 1 6 . 1 1 85 85 LEU HA H 84 5.127 5.127 4.582 0.545 17879 3757 1 6 . 1 1 85 85 LEU CA C 84 51.927 51.927 53.004 -1.077 17879 3758 1 6 . 1 1 85 85 LEU CB C 84 42.779 42.779 42.022 0.757 17879 3759 1 6 . 1 1 85 85 LEU H H 84 8.520 8.520 8.653 -0.133 17879 3760 1 6 . 1 1 86 86 PRO HA H 85 4.835 4.835 4.721 0.114 17879 3761 1 6 . 1 1 86 86 PRO CA C 85 60.910 60.910 61.206 -0.296 17879 3762 1 6 . 1 1 86 86 PRO CB C 85 30.852 30.852 31.292 -0.440 17879 3763 1 6 . 1 1 87 87 PRO HA H 86 4.577 4.577 4.523 0.054 17879 3764 1 6 . 1 1 87 87 PRO C C 86 177.830 177.830 176.733 1.097 17879 3765 1 6 . 1 1 87 87 PRO CA C 86 62.424 62.424 62.472 -0.048 17879 3766 1 6 . 1 1 87 87 PRO CB C 86 31.910 31.910 32.210 -0.300 17879 3767 1 6 . 1 1 88 88 THR N N 87 114.642 114.642 107.506 7.136 17879 3768 1 6 . 1 1 88 88 THR HA H 87 3.802 3.802 4.363 -0.561 17879 3769 1 6 . 1 1 88 88 THR C C 87 175.702 175.702 175.994 -0.292 17879 3770 1 6 . 1 1 88 88 THR CA C 87 65.079 65.079 64.285 0.794 17879 3771 1 6 . 1 1 88 88 THR CB C 87 68.818 68.818 68.923 -0.105 17879 3772 1 6 . 1 1 88 88 THR H H 87 8.291 8.291 8.056 0.235 17879 3773 1 6 . 1 1 89 89 ALA N N 88 119.706 119.706 123.044 -3.338 17879 3774 1 6 . 1 1 89 89 ALA HA H 88 4.420 4.420 4.339 0.081 17879 3775 1 6 . 1 1 89 89 ALA C C 88 177.690 177.690 178.112 -0.422 17879 3776 1 6 . 1 1 89 89 ALA CA C 88 52.118 52.118 52.178 -0.060 17879 3777 1 6 . 1 1 89 89 ALA CB C 88 19.334 19.334 17.507 1.827 17879 3778 1 6 . 1 1 89 89 ALA H H 88 8.031 8.031 8.152 -0.121 17879 3779 1 6 . 1 1 90 90 ALA N N 89 120.388 120.388 122.348 -1.960 17879 3780 1 6 . 1 1 90 90 ALA HA H 89 4.179 4.179 4.262 -0.083 17879 3781 1 6 . 1 1 90 90 ALA C C 89 176.520 176.520 176.506 0.014 17879 3782 1 6 . 1 1 90 90 ALA CA C 89 52.454 52.454 51.051 1.403 17879 3783 1 6 . 1 1 90 90 ALA CB C 89 19.301 19.301 17.025 2.276 17879 3784 1 6 . 1 1 90 90 ALA H H 89 7.465 7.465 8.134 -0.669 17879 3785 1 6 . 1 1 91 91 LEU N N 90 119.307 119.307 122.338 -3.031 17879 3786 1 6 . 1 1 91 91 LEU HA H 90 4.490 4.490 3.968 0.522 17879 3787 1 6 . 1 1 91 91 LEU C C 90 179.555 179.555 177.867 1.688 17879 3788 1 6 . 1 1 91 91 LEU CA C 90 54.578 54.578 56.004 -1.426 17879 3789 1 6 . 1 1 91 91 LEU CB C 90 42.689 42.689 41.593 1.097 17879 3790 1 6 . 1 1 91 91 LEU H H 90 8.458 8.458 8.444 0.014 17879 3791 1 6 . 1 1 92 92 MET N N 91 121.586 121.586 124.719 -3.133 17879 3792 1 6 . 1 1 92 92 MET HA H 91 4.231 4.231 3.872 0.359 17879 3793 1 6 . 1 1 92 92 MET C C 91 178.860 178.860 178.504 0.356 17879 3794 1 6 . 1 1 92 92 MET CA C 91 56.938 56.938 59.391 -2.453 17879 3795 1 6 . 1 1 92 92 MET CB C 91 29.372 29.372 31.728 -2.356 17879 3796 1 6 . 1 1 92 92 MET H H 91 9.203 9.203 8.558 0.645 17879 3797 1 6 . 1 1 93 93 SER N N 92 112.826 112.826 114.825 -1.999 17879 3798 1 6 . 1 1 93 93 SER HA H 92 3.978 3.978 4.102 -0.124 17879 3799 1 6 . 1 1 93 93 SER C C 92 176.318 176.318 176.290 0.028 17879 3800 1 6 . 1 1 93 93 SER CA C 92 60.871 60.871 61.331 -0.460 17879 3801 1 6 . 1 1 93 93 SER CB C 92 61.575 61.575 62.909 -1.334 17879 3802 1 6 . 1 1 93 93 SER H H 92 8.717 8.717 8.392 0.325 17879 3803 1 6 . 1 1 94 94 ALA N N 93 126.735 126.735 123.825 2.910 17879 3804 1 6 . 1 1 94 94 ALA HA H 93 4.357 4.357 4.169 0.188 17879 3805 1 6 . 1 1 94 94 ALA C C 93 180.789 180.789 179.061 1.728 17879 3806 1 6 . 1 1 94 94 ALA CA C 93 54.841 54.841 54.448 0.393 17879 3807 1 6 . 1 1 94 94 ALA CB C 93 18.603 18.603 18.447 0.156 17879 3808 1 6 . 1 1 94 94 ALA H H 93 7.058 7.058 8.009 -0.951 17879 3809 1 6 . 1 1 95 95 ILE N N 94 118.720 118.720 117.219 1.501 17879 3810 1 6 . 1 1 95 95 ILE HA H 94 4.063 4.063 3.964 0.099 17879 3811 1 6 . 1 1 95 95 ILE C C 94 178.326 178.326 177.262 1.064 17879 3812 1 6 . 1 1 95 95 ILE CA C 94 62.755 62.755 62.977 -0.222 17879 3813 1 6 . 1 1 95 95 ILE CB C 94 36.410 36.410 38.130 -1.720 17879 3814 1 6 . 1 1 95 95 ILE H H 94 7.872 7.872 7.802 0.070 17879 3815 1 6 . 1 1 96 96 TYR N N 95 120.697 120.697 119.890 0.807 17879 3816 1 6 . 1 1 96 96 TYR HA H 95 4.007 4.007 4.264 -0.257 17879 3817 1 6 . 1 1 96 96 TYR C C 95 176.022 176.022 176.327 -0.305 17879 3818 1 6 . 1 1 96 96 TYR CA C 95 62.187 62.187 60.175 2.013 17879 3819 1 6 . 1 1 96 96 TYR CB C 95 39.093 39.093 38.798 0.295 17879 3820 1 6 . 1 1 96 96 TYR H H 95 8.841 8.841 8.265 0.576 17879 3821 1 6 . 1 1 97 97 GLN N N 96 114.982 114.982 117.586 -2.604 17879 3822 1 6 . 1 1 97 97 GLN HA H 96 3.778 3.778 4.400 -0.622 17879 3823 1 6 . 1 1 97 97 GLN C C 96 177.250 177.250 176.263 0.987 17879 3824 1 6 . 1 1 97 97 GLN CA C 96 58.719 58.719 56.489 2.230 17879 3825 1 6 . 1 1 97 97 GLN CB C 96 28.286 28.286 29.221 -0.935 17879 3826 1 6 . 1 1 97 97 GLN H H 96 7.757 7.757 7.831 -0.074 17879 3827 1 6 . 1 1 98 98 GLU N N 97 114.340 114.340 117.593 -3.253 17879 3828 1 6 . 1 1 98 98 GLU HA H 97 4.099 4.099 4.301 -0.202 17879 3829 1 6 . 1 1 98 98 GLU C C 97 178.140 178.140 176.859 1.281 17879 3830 1 6 . 1 1 98 98 GLU CA C 97 57.886 57.886 56.666 1.220 17879 3831 1 6 . 1 1 98 98 GLU CB C 97 31.589 31.589 31.258 0.331 17879 3832 1 6 . 1 1 98 98 GLU H H 97 7.117 7.117 7.654 -0.537 17879 3833 1 6 . 1 1 99 99 HIS N N 98 113.377 113.377 117.377 -4.000 17879 3834 1 6 . 1 1 99 99 HIS HA H 98 4.829 4.829 4.762 0.067 17879 3835 1 6 . 1 1 99 99 HIS C C 98 175.856 175.856 174.214 1.642 17879 3836 1 6 . 1 1 99 99 HIS CA C 98 56.738 56.738 54.546 2.192 17879 3837 1 6 . 1 1 99 99 HIS CB C 98 32.930 32.930 30.958 1.972 17879 3838 1 6 . 1 1 99 99 HIS H H 98 8.247 8.247 7.841 0.406 17879 3839 1 6 . 1 1 100 100 LYS N N 99 120.905 120.905 119.000 1.905 17879 3840 1 6 . 1 1 100 100 LYS HA H 99 3.994 3.994 3.855 0.139 17879 3841 1 6 . 1 1 100 100 LYS C C 99 174.832 174.832 175.602 -0.770 17879 3842 1 6 . 1 1 100 100 LYS CA C 99 57.693 57.693 56.719 0.974 17879 3843 1 6 . 1 1 100 100 LYS CB C 99 31.703 31.703 32.469 -0.766 17879 3844 1 6 . 1 1 100 100 LYS H H 99 8.065 8.065 7.613 0.452 17879 3845 1 6 . 1 1 101 101 ASP N N 100 124.188 124.188 120.995 3.193 17879 3846 1 6 . 1 1 101 101 ASP HA H 100 4.765 4.765 4.934 -0.169 17879 3847 1 6 . 1 1 101 101 ASP C C 100 177.692 177.692 176.132 1.560 17879 3848 1 6 . 1 1 101 101 ASP CA C 100 54.030 54.030 52.196 1.834 17879 3849 1 6 . 1 1 101 101 ASP CB C 100 43.429 43.429 44.066 -0.637 17879 3850 1 6 . 1 1 101 101 ASP H H 100 9.027 9.027 7.827 1.200 17879 3851 1 6 . 1 1 102 102 LYS N N 101 125.898 125.898 119.408 6.490 17879 3852 1 6 . 1 1 102 102 LYS HA H 101 4.239 4.239 4.175 0.064 17879 3853 1 6 . 1 1 102 102 LYS C C 101 178.053 178.053 176.875 1.178 17879 3854 1 6 . 1 1 102 102 LYS CA C 101 59.482 59.482 59.093 0.389 17879 3855 1 6 . 1 1 102 102 LYS CB C 101 32.821 32.821 32.396 0.425 17879 3856 1 6 . 1 1 102 102 LYS H H 101 8.678 8.678 8.837 -0.159 17879 3857 1 6 . 1 1 103 103 ASP N N 102 119.326 119.326 116.596 2.730 17879 3858 1 6 . 1 1 103 103 ASP HA H 102 4.127 4.127 4.309 -0.182 17879 3859 1 6 . 1 1 103 103 ASP C C 102 176.833 176.833 176.890 -0.057 17879 3860 1 6 . 1 1 103 103 ASP CA C 102 54.666 54.666 54.243 0.423 17879 3861 1 6 . 1 1 103 103 ASP CB C 102 39.848 39.848 40.408 -0.560 17879 3862 1 6 . 1 1 103 103 ASP H H 102 10.276 10.276 8.605 1.671 17879 3863 1 6 . 1 1 104 104 GLY N N 103 106.059 106.059 108.228 -2.169 17879 3864 1 6 . 1 1 104 104 GLY C C 103 174.655 174.655 174.494 0.161 17879 3865 1 6 . 1 1 104 104 GLY CA C 103 45.319 45.319 45.858 -0.539 17879 3866 1 6 . 1 1 104 104 GLY H H 103 8.173 8.173 8.283 -0.110 17879 3867 1 6 . 1 1 105 105 PHE N N 104 121.781 121.781 122.214 -0.433 17879 3868 1 6 . 1 1 105 105 PHE HA H 104 4.682 4.682 4.442 0.240 17879 3869 1 6 . 1 1 105 105 PHE C C 104 174.830 174.830 176.030 -1.200 17879 3870 1 6 . 1 1 105 105 PHE CA C 104 59.377 59.377 58.680 0.697 17879 3871 1 6 . 1 1 105 105 PHE CB C 104 39.938 39.938 39.124 0.814 17879 3872 1 6 . 1 1 105 105 PHE H H 104 9.600 9.600 8.049 1.551 17879 3873 1 6 . 1 1 106 106 LEU N N 105 119.929 119.929 123.663 -3.734 17879 3874 1 6 . 1 1 106 106 LEU HA H 105 4.897 4.897 4.209 0.688 17879 3875 1 6 . 1 1 106 106 LEU C C 105 173.947 173.947 176.071 -2.124 17879 3876 1 6 . 1 1 106 106 LEU CA C 105 53.463 53.463 54.234 -0.771 17879 3877 1 6 . 1 1 106 106 LEU CB C 105 45.066 45.066 43.205 1.861 17879 3878 1 6 . 1 1 106 106 LEU H H 105 8.376 8.376 8.652 -0.276 17879 3879 1 6 . 1 1 107 107 TYR N N 106 127.637 127.637 120.775 6.862 17879 3880 1 6 . 1 1 107 107 TYR HA H 106 4.992 4.992 4.846 0.146 17879 3881 1 6 . 1 1 107 107 TYR C C 106 176.099 176.099 174.832 1.267 17879 3882 1 6 . 1 1 107 107 TYR CA C 106 58.893 58.893 57.157 1.736 17879 3883 1 6 . 1 1 107 107 TYR CB C 106 38.140 38.140 38.744 -0.604 17879 3884 1 6 . 1 1 107 107 TYR H H 106 9.124 9.124 8.225 0.899 17879 3885 1 6 . 1 1 108 108 VAL N N 107 121.630 121.630 122.123 -0.493 17879 3886 1 6 . 1 1 108 108 VAL HA H 107 5.135 5.135 4.539 0.596 17879 3887 1 6 . 1 1 108 108 VAL C C 107 175.722 175.722 174.800 0.922 17879 3888 1 6 . 1 1 108 108 VAL CA C 107 59.587 59.587 59.890 -0.303 17879 3889 1 6 . 1 1 108 108 VAL CB C 107 34.787 34.787 34.526 0.261 17879 3890 1 6 . 1 1 108 108 VAL H H 107 9.560 9.560 8.639 0.921 17879 3891 1 6 . 1 1 109 109 THR N N 108 119.845 119.845 115.479 4.366 17879 3892 1 6 . 1 1 109 109 THR HA H 108 6.155 6.155 5.460 0.695 17879 3893 1 6 . 1 1 109 109 THR C C 108 174.158 174.158 173.247 0.911 17879 3894 1 6 . 1 1 109 109 THR CA C 108 59.869 59.869 61.551 -1.682 17879 3895 1 6 . 1 1 109 109 THR CB C 108 72.268 72.268 72.125 0.143 17879 3896 1 6 . 1 1 109 109 THR H H 108 9.061 9.061 8.016 1.045 17879 3897 1 6 . 1 1 110 110 TYR N N 109 119.706 119.706 119.610 0.096 17879 3898 1 6 . 1 1 110 110 TYR HA H 109 6.332 6.332 5.924 0.408 17879 3899 1 6 . 1 1 110 110 TYR C C 109 173.366 173.366 173.477 -0.111 17879 3900 1 6 . 1 1 110 110 TYR CA C 109 54.655 54.655 55.544 -0.889 17879 3901 1 6 . 1 1 110 110 TYR CB C 109 42.250 42.250 41.447 0.803 17879 3902 1 6 . 1 1 110 110 TYR H H 109 8.461 8.461 8.892 -0.431 17879 3903 1 6 . 1 1 111 111 SER N N 110 112.907 112.907 117.240 -4.333 17879 3904 1 6 . 1 1 111 111 SER HA H 110 4.745 4.745 5.071 -0.326 17879 3905 1 6 . 1 1 111 111 SER C C 110 173.692 173.692 174.786 -1.094 17879 3906 1 6 . 1 1 111 111 SER CA C 110 56.044 56.044 55.387 0.657 17879 3907 1 6 . 1 1 111 111 SER CB C 110 66.177 66.177 66.011 0.166 17879 3908 1 6 . 1 1 111 111 SER H H 110 9.089 9.089 9.119 -0.030 17879 3909 1 6 . 1 1 112 112 GLY N N 111 111.054 111.054 109.402 1.652 17879 3910 1 6 . 1 1 112 112 GLY C C 111 173.331 173.331 173.562 -0.231 17879 3911 1 6 . 1 1 112 112 GLY CA C 111 45.341 45.341 45.009 0.332 17879 3912 1 6 . 1 1 112 112 GLY H H 111 8.443 8.443 8.524 -0.081 17879 3913 1 6 . 1 1 113 113 GLU N N 112 118.801 118.801 119.700 -0.899 17879 3914 1 6 . 1 1 113 113 GLU HA H 112 4.660 4.660 4.529 0.131 17879 3915 1 6 . 1 1 113 113 GLU C C 112 174.538 174.538 175.779 -1.241 17879 3916 1 6 . 1 1 113 113 GLU CA C 112 55.642 55.642 54.758 0.883 17879 3917 1 6 . 1 1 113 113 GLU CB C 112 32.930 32.930 30.809 2.121 17879 3918 1 6 . 1 1 113 113 GLU H H 112 8.413 8.413 7.592 0.821 17879 3919 1 6 . 1 1 114 114 ASN N N 113 118.152 118.152 124.547 -6.395 17879 3920 1 6 . 1 1 114 114 ASN HA H 113 4.187 4.187 4.841 -0.654 17879 3921 1 6 . 1 1 114 114 ASN C C 113 175.011 175.011 174.467 0.544 17879 3922 1 6 . 1 1 114 114 ASN CA C 113 51.910 51.910 52.781 -0.871 17879 3923 1 6 . 1 1 114 114 ASN CB C 113 36.865 36.865 37.166 -0.301 17879 3924 1 6 . 1 1 114 114 ASN H H 113 8.207 8.207 8.785 -0.578 17879 3925 1 6 . 1 1 115 115 THR N N 114 112.887 112.887 116.857 -3.970 17879 3926 1 6 . 1 1 115 115 THR HA H 114 4.190 4.190 4.579 -0.389 17879 3927 1 6 . 1 1 115 115 THR C C 114 173.575 173.575 173.399 0.176 17879 3928 1 6 . 1 1 115 115 THR CA C 114 61.149 61.149 60.825 0.324 17879 3929 1 6 . 1 1 115 115 THR CB C 114 69.859 69.859 69.844 0.015 17879 3930 1 6 . 1 1 115 115 THR H H 114 7.411 7.411 7.732 -0.321 17879 3931 1 6 . 1 1 116 116 PHE N N 115 121.474 121.474 118.198 3.276 17879 3932 1 6 . 1 1 116 116 PHE HA H 115 4.451 4.451 5.018 -0.567 17879 3933 1 6 . 1 1 116 116 PHE C C 115 175.078 175.078 175.126 -0.048 17879 3934 1 6 . 1 1 116 116 PHE CA C 115 57.681 57.681 55.793 1.888 17879 3935 1 6 . 1 1 116 116 PHE CB C 115 39.569 39.569 38.915 0.654 17879 3936 1 6 . 1 1 116 116 PHE H H 115 8.021 8.021 7.665 0.356 17879 3937 1 7 . 1 1 2 2 MET N N 1 122.410 122.410 118.835 3.575 17879 3938 1 7 . 1 1 2 2 MET HA H 1 4.455 4.455 5.003 -0.548 17879 3939 1 7 . 1 1 2 2 MET C C 1 175.655 175.655 174.295 1.360 17879 3940 1 7 . 1 1 2 2 MET CA C 1 55.438 55.438 54.453 0.985 17879 3941 1 7 . 1 1 2 2 MET CB C 1 33.126 33.126 36.503 -3.377 17879 3942 1 7 . 1 1 2 2 MET H H 1 8.425 8.425 8.706 -0.281 17879 3943 1 7 . 1 1 3 3 LYS N N 2 123.656 123.656 119.290 4.366 17879 3944 1 7 . 1 1 3 3 LYS HA H 2 4.326 4.326 4.502 -0.176 17879 3945 1 7 . 1 1 3 3 LYS C C 2 176.266 176.266 176.106 0.160 17879 3946 1 7 . 1 1 3 3 LYS CA C 2 56.348 56.348 56.256 0.092 17879 3947 1 7 . 1 1 3 3 LYS CB C 2 33.219 33.219 34.388 -1.169 17879 3948 1 7 . 1 1 3 3 LYS H H 2 8.512 8.512 8.384 0.128 17879 3949 1 7 . 1 1 4 4 SER N N 3 118.350 118.350 115.078 3.272 17879 3950 1 7 . 1 1 4 4 SER HA H 3 4.631 4.631 4.376 0.255 17879 3951 1 7 . 1 1 4 4 SER C C 3 175.421 175.421 173.942 1.479 17879 3952 1 7 . 1 1 4 4 SER CA C 3 57.629 57.629 58.786 -1.157 17879 3953 1 7 . 1 1 4 4 SER CB C 3 64.079 64.079 64.267 -0.188 17879 3954 1 7 . 1 1 4 4 SER H H 3 8.426 8.426 7.821 0.605 17879 3955 1 7 . 1 1 5 5 THR N N 4 127.775 127.775 109.558 18.217 17879 3956 1 7 . 1 1 5 5 THR HA H 4 4.482 4.482 4.523 -0.041 17879 3957 1 7 . 1 1 5 5 THR C C 4 174.680 174.680 175.258 -0.578 17879 3958 1 7 . 1 1 5 5 THR CA C 4 62.001 62.001 62.399 -0.398 17879 3959 1 7 . 1 1 5 5 THR CB C 4 70.137 70.137 68.677 1.460 17879 3960 1 7 . 1 1 5 5 THR H H 4 9.971 9.971 8.172 1.799 17879 3961 1 7 . 1 1 6 6 PHE N N 5 123.021 123.021 121.951 1.070 17879 3962 1 7 . 1 1 6 6 PHE HA H 5 4.125 4.125 4.500 -0.375 17879 3963 1 7 . 1 1 6 6 PHE C C 5 177.064 177.064 175.416 1.648 17879 3964 1 7 . 1 1 6 6 PHE CA C 5 63.041 63.041 59.286 3.755 17879 3965 1 7 . 1 1 6 6 PHE CB C 5 40.828 40.828 39.009 1.819 17879 3966 1 7 . 1 1 6 6 PHE H H 5 8.863 8.863 8.638 0.225 17879 3967 1 7 . 1 1 7 7 LYS N N 6 114.006 114.006 117.428 -3.422 17879 3968 1 7 . 1 1 7 7 LYS HA H 6 3.916 3.916 4.362 -0.446 17879 3969 1 7 . 1 1 7 7 LYS C C 6 177.535 177.535 175.992 1.543 17879 3970 1 7 . 1 1 7 7 LYS CA C 6 60.026 60.026 57.155 2.871 17879 3971 1 7 . 1 1 7 7 LYS CB C 6 33.611 33.611 33.133 0.478 17879 3972 1 7 . 1 1 7 7 LYS H H 6 8.661 8.661 8.394 0.267 17879 3973 1 7 . 1 1 8 8 SER N N 7 111.149 111.149 113.073 -1.924 17879 3974 1 7 . 1 1 8 8 SER HA H 7 4.275 4.275 4.481 -0.206 17879 3975 1 7 . 1 1 8 8 SER C C 7 175.689 175.689 175.367 0.322 17879 3976 1 7 . 1 1 8 8 SER CA C 7 60.007 60.007 58.665 1.342 17879 3977 1 7 . 1 1 8 8 SER CB C 7 63.759 63.759 63.870 -0.111 17879 3978 1 7 . 1 1 8 8 SER H H 7 7.552 7.552 7.770 -0.218 17879 3979 1 7 . 1 1 9 9 GLU N N 8 122.296 122.296 118.762 3.534 17879 3980 1 7 . 1 1 9 9 GLU HA H 8 3.818 3.818 4.064 -0.246 17879 3981 1 7 . 1 1 9 9 GLU C C 8 176.068 176.068 174.771 1.297 17879 3982 1 7 . 1 1 9 9 GLU CA C 8 58.137 58.137 56.901 1.236 17879 3983 1 7 . 1 1 9 9 GLU CB C 8 30.965 30.965 29.601 1.364 17879 3984 1 7 . 1 1 9 9 GLU H H 8 7.924 7.924 7.489 0.435 17879 3985 1 7 . 1 1 10 10 TYR N N 9 115.131 115.131 111.487 3.644 17879 3986 1 7 . 1 1 10 10 TYR HA H 9 5.066 5.066 4.668 0.398 17879 3987 1 7 . 1 1 10 10 TYR CA C 9 53.958 53.958 53.968 -0.010 17879 3988 1 7 . 1 1 10 10 TYR CB C 9 41.055 41.055 37.618 3.437 17879 3989 1 7 . 1 1 10 10 TYR H H 9 7.052 7.052 6.916 0.136 17879 3990 1 7 . 1 1 11 11 PRO HA H 10 4.708 4.708 4.806 -0.098 17879 3991 1 7 . 1 1 11 11 PRO C C 10 177.384 177.384 177.200 0.184 17879 3992 1 7 . 1 1 11 11 PRO CA C 10 62.279 62.279 62.357 -0.078 17879 3993 1 7 . 1 1 11 11 PRO CB C 10 33.087 33.087 32.927 0.160 17879 3994 1 7 . 1 1 12 12 PHE N N 11 125.307 125.307 121.068 4.239 17879 3995 1 7 . 1 1 12 12 PHE HA H 11 3.883 3.883 4.420 -0.537 17879 3996 1 7 . 1 1 12 12 PHE C C 11 176.157 176.157 176.890 -0.733 17879 3997 1 7 . 1 1 12 12 PHE CA C 11 63.156 63.156 61.671 1.485 17879 3998 1 7 . 1 1 12 12 PHE CB C 11 39.935 39.935 39.447 0.488 17879 3999 1 7 . 1 1 12 12 PHE H H 11 9.385 9.385 8.796 0.589 17879 4000 1 7 . 1 1 13 13 GLU N N 12 115.356 115.356 117.387 -2.031 17879 4001 1 7 . 1 1 13 13 GLU HA H 12 3.857 3.857 4.235 -0.378 17879 4002 1 7 . 1 1 13 13 GLU C C 12 179.598 179.598 178.146 1.452 17879 4003 1 7 . 1 1 13 13 GLU CA C 12 60.317 60.317 59.084 1.233 17879 4004 1 7 . 1 1 13 13 GLU CB C 12 28.642 28.642 28.829 -0.187 17879 4005 1 7 . 1 1 13 13 GLU H H 12 9.800 9.800 9.208 0.592 17879 4006 1 7 . 1 1 14 14 LYS N N 13 118.194 118.194 119.765 -1.571 17879 4007 1 7 . 1 1 14 14 LYS HA H 13 4.246 4.246 4.166 0.080 17879 4008 1 7 . 1 1 14 14 LYS C C 13 178.804 178.804 178.304 0.500 17879 4009 1 7 . 1 1 14 14 LYS CA C 13 58.143 58.143 58.676 -0.533 17879 4010 1 7 . 1 1 14 14 LYS CB C 13 32.770 32.770 32.844 -0.074 17879 4011 1 7 . 1 1 14 14 LYS H H 13 7.160 7.160 7.373 -0.213 17879 4012 1 7 . 1 1 15 15 ARG N N 14 120.949 120.949 119.714 1.235 17879 4013 1 7 . 1 1 15 15 ARG HA H 14 3.892 3.892 3.961 -0.069 17879 4014 1 7 . 1 1 15 15 ARG C C 14 176.858 176.858 178.370 -1.512 17879 4015 1 7 . 1 1 15 15 ARG CA C 14 61.520 61.520 59.197 2.323 17879 4016 1 7 . 1 1 15 15 ARG CB C 14 32.840 32.840 30.062 2.778 17879 4017 1 7 . 1 1 15 15 ARG H H 14 7.686 7.686 7.650 0.036 17879 4018 1 7 . 1 1 16 16 LYS N N 15 119.224 119.224 120.355 -1.131 17879 4019 1 7 . 1 1 16 16 LYS HA H 15 4.449 4.449 3.940 0.509 17879 4020 1 7 . 1 1 16 16 LYS C C 15 177.796 177.796 178.418 -0.622 17879 4021 1 7 . 1 1 16 16 LYS CA C 15 57.366 57.366 59.218 -1.852 17879 4022 1 7 . 1 1 16 16 LYS CB C 15 32.529 32.529 31.536 0.993 17879 4023 1 7 . 1 1 16 16 LYS H H 15 8.667 8.667 8.353 0.314 17879 4024 1 7 . 1 1 17 17 ALA N N 16 117.777 117.777 120.149 -2.372 17879 4025 1 7 . 1 1 17 17 ALA HA H 16 4.164 4.164 4.150 0.014 17879 4026 1 7 . 1 1 17 17 ALA C C 16 180.641 180.641 179.513 1.128 17879 4027 1 7 . 1 1 17 17 ALA CA C 16 54.627 54.627 54.542 0.085 17879 4028 1 7 . 1 1 17 17 ALA CB C 16 18.114 18.114 17.890 0.224 17879 4029 1 7 . 1 1 17 17 ALA H H 16 7.305 7.305 7.553 -0.248 17879 4030 1 7 . 1 1 18 18 GLU N N 17 119.934 119.934 119.380 0.554 17879 4031 1 7 . 1 1 18 18 GLU HA H 17 4.695 4.695 4.100 0.595 17879 4032 1 7 . 1 1 18 18 GLU C C 17 178.339 178.339 178.682 -0.343 17879 4033 1 7 . 1 1 18 18 GLU CA C 17 58.173 58.173 58.597 -0.424 17879 4034 1 7 . 1 1 18 18 GLU CB C 17 28.765 28.765 29.280 -0.515 17879 4035 1 7 . 1 1 18 18 GLU H H 17 7.849 7.849 8.146 -0.297 17879 4036 1 7 . 1 1 19 19 SER N N 18 117.685 117.685 114.068 3.617 17879 4037 1 7 . 1 1 19 19 SER HA H 18 3.542 3.542 4.009 -0.467 17879 4038 1 7 . 1 1 19 19 SER C C 18 178.206 178.206 176.838 1.368 17879 4039 1 7 . 1 1 19 19 SER CA C 18 62.108 62.108 60.550 1.558 17879 4040 1 7 . 1 1 19 19 SER CB C 18 59.839 59.839 62.391 -2.552 17879 4041 1 7 . 1 1 19 19 SER H H 18 8.785 8.785 8.176 0.609 17879 4042 1 7 . 1 1 20 20 GLU N N 19 124.346 124.346 121.058 3.288 17879 4043 1 7 . 1 1 20 20 GLU HA H 19 3.988 3.988 4.151 -0.163 17879 4044 1 7 . 1 1 20 20 GLU C C 19 178.788 178.788 177.316 1.472 17879 4045 1 7 . 1 1 20 20 GLU CA C 19 59.701 59.701 58.600 1.101 17879 4046 1 7 . 1 1 20 20 GLU CB C 19 29.318 29.318 29.725 -0.407 17879 4047 1 7 . 1 1 20 20 GLU H H 19 8.052 8.052 7.695 0.357 17879 4048 1 7 . 1 1 21 21 ARG N N 20 122.089 122.089 116.963 5.126 17879 4049 1 7 . 1 1 21 21 ARG HA H 20 4.093 4.093 4.413 -0.320 17879 4050 1 7 . 1 1 21 21 ARG C C 20 179.458 179.458 177.991 1.467 17879 4051 1 7 . 1 1 21 21 ARG CA C 20 59.500 59.500 57.879 1.621 17879 4052 1 7 . 1 1 21 21 ARG CB C 20 30.412 30.412 30.926 -0.514 17879 4053 1 7 . 1 1 21 21 ARG H H 20 7.958 7.958 7.377 0.581 17879 4054 1 7 . 1 1 22 22 ILE N N 21 119.893 119.893 121.086 -1.193 17879 4055 1 7 . 1 1 22 22 ILE HA H 21 3.623 3.623 3.989 -0.366 17879 4056 1 7 . 1 1 22 22 ILE C C 21 176.842 176.842 177.344 -0.502 17879 4057 1 7 . 1 1 22 22 ILE CA C 21 65.145 65.145 64.650 0.495 17879 4058 1 7 . 1 1 22 22 ILE CB C 21 38.195 38.195 37.822 0.373 17879 4059 1 7 . 1 1 22 22 ILE H H 21 8.277 8.277 8.539 -0.262 17879 4060 1 7 . 1 1 23 23 ALA N N 22 121.816 121.816 120.812 1.004 17879 4061 1 7 . 1 1 23 23 ALA HA H 22 4.071 4.071 4.165 -0.094 17879 4062 1 7 . 1 1 23 23 ALA C C 22 179.199 179.199 177.599 1.600 17879 4063 1 7 . 1 1 23 23 ALA CA C 22 54.519 54.519 53.999 0.520 17879 4064 1 7 . 1 1 23 23 ALA CB C 22 18.001 18.001 18.541 -0.540 17879 4065 1 7 . 1 1 23 23 ALA H H 22 7.962 7.962 7.891 0.071 17879 4066 1 7 . 1 1 24 24 ASP N N 23 114.866 114.866 117.440 -2.574 17879 4067 1 7 . 1 1 24 24 ASP HA H 23 4.401 4.401 4.553 -0.152 17879 4068 1 7 . 1 1 24 24 ASP C C 23 177.324 177.324 178.000 -0.676 17879 4069 1 7 . 1 1 24 24 ASP CA C 23 56.248 56.248 54.834 1.413 17879 4070 1 7 . 1 1 24 24 ASP CB C 23 42.193 42.193 41.847 0.346 17879 4071 1 7 . 1 1 24 24 ASP H H 23 7.368 7.368 7.808 -0.440 17879 4072 1 7 . 1 1 25 25 ARG N N 24 116.868 116.868 119.181 -2.313 17879 4073 1 7 . 1 1 25 25 ARG HA H 24 3.922 3.922 3.891 0.031 17879 4074 1 7 . 1 1 25 25 ARG C C 24 176.266 176.266 176.724 -0.458 17879 4075 1 7 . 1 1 25 25 ARG CA C 24 57.158 57.158 57.433 -0.275 17879 4076 1 7 . 1 1 25 25 ARG CB C 24 31.477 31.477 30.738 0.739 17879 4077 1 7 . 1 1 25 25 ARG H H 24 7.815 7.815 8.029 -0.214 17879 4078 1 7 . 1 1 26 26 PHE N N 25 116.737 116.737 115.974 0.763 17879 4079 1 7 . 1 1 26 26 PHE HA H 25 5.084 5.084 5.000 0.084 17879 4080 1 7 . 1 1 26 26 PHE CA C 25 54.304 54.304 55.005 -0.701 17879 4081 1 7 . 1 1 26 26 PHE CB C 25 39.026 39.026 39.026 -0.000 17879 4082 1 7 . 1 1 26 26 PHE H H 25 8.658 8.658 7.762 0.896 17879 4083 1 7 . 1 1 27 27 PRO HA H 26 4.503 4.503 4.431 0.072 17879 4084 1 7 . 1 1 27 27 PRO C C 26 177.538 177.538 176.533 1.005 17879 4085 1 7 . 1 1 27 27 PRO CA C 26 64.394 64.394 64.104 0.290 17879 4086 1 7 . 1 1 27 27 PRO CB C 26 31.961 31.961 32.032 -0.071 17879 4087 1 7 . 1 1 28 28 ASN N N 27 114.596 114.596 116.580 -1.984 17879 4088 1 7 . 1 1 28 28 ASN HA H 27 4.725 4.725 4.803 -0.078 17879 4089 1 7 . 1 1 28 28 ASN C C 27 174.678 174.678 174.720 -0.042 17879 4090 1 7 . 1 1 28 28 ASN CA C 27 52.868 52.868 52.685 0.183 17879 4091 1 7 . 1 1 28 28 ASN CB C 27 38.331 38.331 38.029 0.302 17879 4092 1 7 . 1 1 28 28 ASN H H 27 8.537 8.537 8.805 -0.268 17879 4093 1 7 . 1 1 29 29 ARG N N 28 116.946 116.946 119.859 -2.913 17879 4094 1 7 . 1 1 29 29 ARG HA H 28 4.769 4.769 4.575 0.194 17879 4095 1 7 . 1 1 29 29 ARG C C 28 174.469 174.469 174.584 -0.115 17879 4096 1 7 . 1 1 29 29 ARG CA C 28 52.948 52.948 54.219 -1.271 17879 4097 1 7 . 1 1 29 29 ARG CB C 28 32.941 32.941 32.921 0.020 17879 4098 1 7 . 1 1 29 29 ARG H H 28 7.580 7.580 7.405 0.175 17879 4099 1 7 . 1 1 30 30 ILE N N 29 121.854 121.854 120.015 1.839 17879 4100 1 7 . 1 1 30 30 ILE HA H 29 4.098 4.098 3.883 0.215 17879 4101 1 7 . 1 1 30 30 ILE CA C 29 55.558 55.558 57.016 -1.458 17879 4102 1 7 . 1 1 30 30 ILE CB C 29 38.805 38.805 39.968 -1.163 17879 4103 1 7 . 1 1 30 30 ILE H H 29 9.262 9.262 8.655 0.608 17879 4104 1 7 . 1 1 31 31 PRO HA H 30 4.856 4.856 4.703 0.153 17879 4105 1 7 . 1 1 31 31 PRO C C 30 174.121 174.121 175.909 -1.788 17879 4106 1 7 . 1 1 31 31 PRO CA C 30 61.705 61.705 61.929 -0.224 17879 4107 1 7 . 1 1 31 31 PRO CB C 30 30.966 30.966 32.355 -1.389 17879 4108 1 7 . 1 1 32 32 VAL N N 31 127.197 127.197 120.936 6.261 17879 4109 1 7 . 1 1 32 32 VAL HA H 31 4.997 4.997 4.601 0.396 17879 4110 1 7 . 1 1 32 32 VAL C C 31 174.181 174.181 173.455 0.726 17879 4111 1 7 . 1 1 32 32 VAL CA C 31 60.620 60.620 60.367 0.253 17879 4112 1 7 . 1 1 32 32 VAL CB C 31 35.645 35.645 35.728 -0.083 17879 4113 1 7 . 1 1 32 32 VAL H H 31 9.096 9.096 8.852 0.244 17879 4114 1 7 . 1 1 33 33 ILE N N 32 127.157 127.157 124.559 2.598 17879 4115 1 7 . 1 1 33 33 ILE HA H 32 4.917 4.917 4.580 0.337 17879 4116 1 7 . 1 1 33 33 ILE C C 32 174.991 174.991 174.945 0.046 17879 4117 1 7 . 1 1 33 33 ILE CA C 32 56.589 56.589 58.331 -1.742 17879 4118 1 7 . 1 1 33 33 ILE CB C 32 35.908 35.908 38.083 -2.175 17879 4119 1 7 . 1 1 33 33 ILE H H 32 8.775 8.775 8.664 0.111 17879 4120 1 7 . 1 1 34 34 CYS N N 33 129.280 129.280 128.010 1.270 17879 4121 1 7 . 1 1 34 34 CYS HA H 33 5.559 5.559 4.665 0.894 17879 4122 1 7 . 1 1 34 34 CYS C C 33 173.218 173.218 173.829 -0.611 17879 4123 1 7 . 1 1 34 34 CYS CA C 33 57.121 57.121 58.169 -1.048 17879 4124 1 7 . 1 1 34 34 CYS CB C 33 28.880 28.880 27.886 0.994 17879 4125 1 7 . 1 1 34 34 CYS H H 33 9.738 9.738 9.337 0.401 17879 4126 1 7 . 1 1 35 35 GLU N N 34 124.130 124.130 128.604 -4.474 17879 4127 1 7 . 1 1 35 35 GLU HA H 34 4.977 4.977 4.700 0.277 17879 4128 1 7 . 1 1 35 35 GLU C C 34 174.190 174.190 174.152 0.038 17879 4129 1 7 . 1 1 35 35 GLU CA C 34 54.308 54.308 55.092 -0.784 17879 4130 1 7 . 1 1 35 35 GLU CB C 34 35.281 35.281 33.594 1.687 17879 4131 1 7 . 1 1 35 35 GLU H H 34 8.531 8.531 8.363 0.168 17879 4132 1 7 . 1 1 36 36 LYS N N 35 123.562 123.562 125.098 -1.536 17879 4133 1 7 . 1 1 36 36 LYS HA H 35 3.056 3.056 3.650 -0.594 17879 4134 1 7 . 1 1 36 36 LYS C C 35 177.452 177.452 176.136 1.316 17879 4135 1 7 . 1 1 36 36 LYS CA C 35 56.374 56.374 54.683 1.691 17879 4136 1 7 . 1 1 36 36 LYS CB C 35 32.750 32.750 32.191 0.558 17879 4137 1 7 . 1 1 36 36 LYS H H 35 8.949 8.949 8.410 0.539 17879 4138 1 7 . 1 1 37 37 ALA N N 36 129.494 129.494 129.707 -0.213 17879 4139 1 7 . 1 1 37 37 ALA HA H 36 4.163 4.163 4.082 0.081 17879 4140 1 7 . 1 1 37 37 ALA C C 36 178.375 178.375 177.209 1.166 17879 4141 1 7 . 1 1 37 37 ALA CA C 36 52.702 52.702 52.944 -0.242 17879 4142 1 7 . 1 1 37 37 ALA CB C 36 18.673 18.673 19.364 -0.691 17879 4143 1 7 . 1 1 37 37 ALA H H 36 8.561 8.561 8.057 0.504 17879 4144 1 7 . 1 1 38 38 GLU N N 37 125.115 125.115 118.171 6.944 17879 4145 1 7 . 1 1 38 38 GLU HA H 37 3.959 3.959 4.111 -0.152 17879 4146 1 7 . 1 1 38 38 GLU C C 37 177.516 177.516 178.281 -0.765 17879 4147 1 7 . 1 1 38 38 GLU CA C 37 59.302 59.302 57.524 1.778 17879 4148 1 7 . 1 1 38 38 GLU CB C 37 30.154 30.154 29.714 0.440 17879 4149 1 7 . 1 1 38 38 GLU H H 37 8.648 8.648 8.734 -0.086 17879 4150 1 7 . 1 1 39 39 LYS N N 38 115.020 115.020 120.714 -5.694 17879 4151 1 7 . 1 1 39 39 LYS HA H 38 4.188 4.188 4.030 0.158 17879 4152 1 7 . 1 1 39 39 LYS C C 38 176.244 176.244 177.273 -1.029 17879 4153 1 7 . 1 1 39 39 LYS CA C 38 56.564 56.564 58.227 -1.663 17879 4154 1 7 . 1 1 39 39 LYS CB C 38 31.484 31.484 31.445 0.039 17879 4155 1 7 . 1 1 39 39 LYS H H 38 8.494 8.494 8.237 0.257 17879 4156 1 7 . 1 1 40 40 SER N N 39 113.091 113.091 114.469 -1.378 17879 4157 1 7 . 1 1 40 40 SER HA H 39 4.535 4.535 4.403 0.132 17879 4158 1 7 . 1 1 40 40 SER C C 39 174.896 174.896 174.796 0.100 17879 4159 1 7 . 1 1 40 40 SER CA C 39 57.985 57.985 58.488 -0.503 17879 4160 1 7 . 1 1 40 40 SER CB C 39 65.000 65.000 64.100 0.900 17879 4161 1 7 . 1 1 40 40 SER H H 39 7.346 7.346 7.881 -0.535 17879 4162 1 7 . 1 1 41 41 ASP N N 40 127.375 127.375 119.891 7.484 17879 4163 1 7 . 1 1 41 41 ASP HA H 40 4.782 4.782 4.803 -0.021 17879 4164 1 7 . 1 1 41 41 ASP C C 40 175.205 175.205 175.824 -0.619 17879 4165 1 7 . 1 1 41 41 ASP CA C 40 53.549 53.549 53.420 0.129 17879 4166 1 7 . 1 1 41 41 ASP CB C 40 39.916 39.916 41.391 -1.475 17879 4167 1 7 . 1 1 41 41 ASP H H 40 8.744 8.744 8.546 0.198 17879 4168 1 7 . 1 1 42 42 ILE N N 41 122.943 122.943 118.615 4.328 17879 4169 1 7 . 1 1 42 42 ILE HA H 41 4.661 4.661 4.645 0.016 17879 4170 1 7 . 1 1 42 42 ILE CA C 41 59.133 59.133 58.760 0.373 17879 4171 1 7 . 1 1 42 42 ILE CB C 41 40.534 40.534 38.698 1.836 17879 4172 1 7 . 1 1 42 42 ILE H H 41 7.649 7.649 8.215 -0.566 17879 4173 1 7 . 1 1 43 43 PRO HA H 42 4.414 4.414 4.536 -0.122 17879 4174 1 7 . 1 1 43 43 PRO C C 42 175.952 175.952 176.194 -0.242 17879 4175 1 7 . 1 1 43 43 PRO CA C 42 63.829 63.829 62.554 1.275 17879 4176 1 7 . 1 1 43 43 PRO CB C 42 32.895 32.895 32.136 0.759 17879 4177 1 7 . 1 1 44 44 GLU N N 43 120.369 120.369 123.421 -3.052 17879 4178 1 7 . 1 1 44 44 GLU HA H 43 4.298 4.298 4.221 0.077 17879 4179 1 7 . 1 1 44 44 GLU C C 43 175.316 175.316 177.134 -1.818 17879 4180 1 7 . 1 1 44 44 GLU CA C 43 56.400 56.400 56.640 -0.240 17879 4181 1 7 . 1 1 44 44 GLU CB C 43 31.282 31.282 30.585 0.697 17879 4182 1 7 . 1 1 44 44 GLU H H 43 8.393 8.393 8.492 -0.099 17879 4183 1 7 . 1 1 45 45 ILE N N 44 123.670 123.670 124.414 -0.744 17879 4184 1 7 . 1 1 45 45 ILE HA H 44 4.419 4.419 4.140 0.279 17879 4185 1 7 . 1 1 45 45 ILE C C 44 174.786 174.786 176.101 -1.315 17879 4186 1 7 . 1 1 45 45 ILE CA C 44 61.027 61.027 61.468 -0.441 17879 4187 1 7 . 1 1 45 45 ILE CB C 44 40.509 40.509 39.625 0.884 17879 4188 1 7 . 1 1 45 45 ILE H H 44 8.067 8.067 8.146 -0.079 17879 4189 1 7 . 1 1 46 46 ASP N N 45 123.340 123.340 122.369 0.971 17879 4190 1 7 . 1 1 46 46 ASP HA H 45 4.412 4.412 4.508 -0.096 17879 4191 1 7 . 1 1 46 46 ASP C C 45 175.494 175.494 175.325 0.169 17879 4192 1 7 . 1 1 46 46 ASP CA C 45 55.467 55.467 56.309 -0.842 17879 4193 1 7 . 1 1 46 46 ASP CB C 45 40.320 40.320 41.469 -1.149 17879 4194 1 7 . 1 1 46 46 ASP H H 45 8.468 8.468 8.719 -0.251 17879 4195 1 7 . 1 1 47 47 LYS N N 46 121.295 121.295 115.266 6.029 17879 4196 1 7 . 1 1 47 47 LYS HA H 46 4.428 4.428 4.549 -0.121 17879 4197 1 7 . 1 1 47 47 LYS CA C 46 56.020 56.020 54.304 1.716 17879 4198 1 7 . 1 1 47 47 LYS CB C 46 34.644 34.644 34.422 0.222 17879 4199 1 7 . 1 1 47 47 LYS H H 46 7.319 7.319 7.546 -0.227 17879 4200 1 7 . 1 1 48 48 ARG N N 47 124.949 124.949 120.446 4.503 17879 4201 1 7 . 1 1 48 48 ARG HA H 47 5.271 5.271 4.742 0.529 17879 4202 1 7 . 1 1 48 48 ARG C C 47 173.546 173.546 174.705 -1.159 17879 4203 1 7 . 1 1 48 48 ARG CA C 47 55.581 55.581 55.328 0.253 17879 4204 1 7 . 1 1 48 48 ARG CB C 47 32.992 32.992 30.103 2.889 17879 4205 1 7 . 1 1 48 48 ARG H H 47 8.558 8.558 8.609 -0.051 17879 4206 1 7 . 1 1 49 49 LYS N N 48 122.812 122.812 121.837 0.975 17879 4207 1 7 . 1 1 49 49 LYS HA H 48 5.030 5.030 4.076 0.954 17879 4208 1 7 . 1 1 49 49 LYS C C 48 174.301 174.301 173.615 0.686 17879 4209 1 7 . 1 1 49 49 LYS CA C 48 55.042 55.042 55.219 -0.177 17879 4210 1 7 . 1 1 49 49 LYS CB C 48 34.065 34.065 34.377 -0.312 17879 4211 1 7 . 1 1 49 49 LYS H H 48 7.440 7.440 8.099 -0.659 17879 4212 1 7 . 1 1 50 50 TYR N N 49 124.842 124.842 123.558 1.284 17879 4213 1 7 . 1 1 50 50 TYR HA H 49 4.721 4.721 4.565 0.156 17879 4214 1 7 . 1 1 50 50 TYR C C 49 173.674 173.674 174.255 -0.581 17879 4215 1 7 . 1 1 50 50 TYR CA C 49 57.192 57.192 57.318 -0.126 17879 4216 1 7 . 1 1 50 50 TYR CB C 49 43.123 43.123 41.980 1.143 17879 4217 1 7 . 1 1 50 50 TYR H H 49 9.590 9.590 9.171 0.418 17879 4218 1 7 . 1 1 51 51 LEU N N 50 124.138 124.138 127.260 -3.122 17879 4219 1 7 . 1 1 51 51 LEU HA H 50 4.753 4.753 4.747 0.006 17879 4220 1 7 . 1 1 51 51 LEU C C 50 176.050 176.050 175.525 0.525 17879 4221 1 7 . 1 1 51 51 LEU CA C 50 53.158 53.158 53.206 -0.048 17879 4222 1 7 . 1 1 51 51 LEU CB C 50 41.155 41.155 41.807 -0.652 17879 4223 1 7 . 1 1 51 51 LEU H H 50 8.901 8.901 8.520 0.381 17879 4224 1 7 . 1 1 52 52 VAL N N 51 123.181 123.181 119.649 3.532 17879 4225 1 7 . 1 1 52 52 VAL HA H 51 3.948 3.948 4.630 -0.682 17879 4226 1 7 . 1 1 52 52 VAL CA C 51 59.724 59.724 59.218 0.506 17879 4227 1 7 . 1 1 52 52 VAL CB C 51 33.605 33.605 32.139 1.466 17879 4228 1 7 . 1 1 52 52 VAL H H 51 8.513 8.513 8.076 0.437 17879 4229 1 7 . 1 1 53 53 PRO HA H 52 4.305 4.305 4.378 -0.073 17879 4230 1 7 . 1 1 53 53 PRO C C 52 176.607 176.607 176.117 0.490 17879 4231 1 7 . 1 1 53 53 PRO CA C 52 63.950 63.950 62.050 1.901 17879 4232 1 7 . 1 1 53 53 PRO CB C 52 32.163 32.163 32.436 -0.273 17879 4233 1 7 . 1 1 54 54 ALA N N 53 123.771 123.771 120.223 3.548 17879 4234 1 7 . 1 1 54 54 ALA HA H 53 3.720 3.720 4.173 -0.453 17879 4235 1 7 . 1 1 54 54 ALA C C 53 176.409 176.409 176.797 -0.388 17879 4236 1 7 . 1 1 54 54 ALA CA C 53 54.742 54.742 52.831 1.911 17879 4237 1 7 . 1 1 54 54 ALA CB C 53 18.948 18.948 19.224 -0.276 17879 4238 1 7 . 1 1 54 54 ALA H H 53 7.926 7.926 8.282 -0.356 17879 4239 1 7 . 1 1 55 55 ASP N N 54 111.152 111.152 117.672 -6.520 17879 4240 1 7 . 1 1 55 55 ASP HA H 54 4.621 4.621 4.637 -0.016 17879 4241 1 7 . 1 1 55 55 ASP C C 54 175.823 175.823 175.756 0.067 17879 4242 1 7 . 1 1 55 55 ASP CA C 54 52.744 52.744 54.555 -1.811 17879 4243 1 7 . 1 1 55 55 ASP CB C 54 39.861 39.861 40.911 -1.050 17879 4244 1 7 . 1 1 55 55 ASP H H 54 8.106 8.106 8.182 -0.076 17879 4245 1 7 . 1 1 56 56 LEU N N 55 121.263 121.263 121.085 0.178 17879 4246 1 7 . 1 1 56 56 LEU HA H 55 4.351 4.351 4.309 0.042 17879 4247 1 7 . 1 1 56 56 LEU C C 55 177.459 177.459 176.363 1.096 17879 4248 1 7 . 1 1 56 56 LEU CA C 55 55.472 55.472 55.981 -0.509 17879 4249 1 7 . 1 1 56 56 LEU CB C 55 43.593 43.593 43.660 -0.067 17879 4250 1 7 . 1 1 56 56 LEU H H 55 7.295 7.295 7.805 -0.510 17879 4251 1 7 . 1 1 57 57 THR N N 56 114.222 114.222 116.455 -2.233 17879 4252 1 7 . 1 1 57 57 THR HA H 56 5.233 5.233 4.494 0.739 17879 4253 1 7 . 1 1 57 57 THR C C 56 176.538 176.538 175.686 0.852 17879 4254 1 7 . 1 1 57 57 THR CA C 56 60.318 60.318 60.678 -0.360 17879 4255 1 7 . 1 1 57 57 THR CB C 56 71.303 71.303 70.479 0.824 17879 4256 1 7 . 1 1 57 57 THR H H 56 8.476 8.476 8.364 0.112 17879 4257 1 7 . 1 1 58 58 VAL N N 57 122.331 122.331 120.191 2.140 17879 4258 1 7 . 1 1 58 58 VAL HA H 57 3.738 3.738 3.988 -0.250 17879 4259 1 7 . 1 1 58 58 VAL C C 57 178.743 178.743 177.727 1.016 17879 4260 1 7 . 1 1 58 58 VAL CA C 57 66.797 66.797 65.695 1.101 17879 4261 1 7 . 1 1 58 58 VAL CB C 57 31.801 31.801 31.925 -0.124 17879 4262 1 7 . 1 1 58 58 VAL H H 57 8.806 8.806 8.012 0.794 17879 4263 1 7 . 1 1 59 59 GLY N N 58 105.470 105.470 104.791 0.679 17879 4264 1 7 . 1 1 59 59 GLY C C 58 176.924 176.924 175.147 1.777 17879 4265 1 7 . 1 1 59 59 GLY CA C 58 47.317 47.317 46.347 0.970 17879 4266 1 7 . 1 1 59 59 GLY H H 58 9.381 9.381 7.712 1.669 17879 4267 1 7 . 1 1 60 60 GLN N N 59 121.492 121.492 117.938 3.554 17879 4268 1 7 . 1 1 60 60 GLN HA H 59 4.166 4.166 4.465 -0.299 17879 4269 1 7 . 1 1 60 60 GLN C C 59 178.605 178.605 177.287 1.318 17879 4270 1 7 . 1 1 60 60 GLN CA C 59 58.764 58.764 57.172 1.592 17879 4271 1 7 . 1 1 60 60 GLN CB C 59 29.129 29.129 29.517 -0.388 17879 4272 1 7 . 1 1 60 60 GLN H H 59 8.027 8.027 7.676 0.351 17879 4273 1 7 . 1 1 61 61 PHE N N 60 122.595 122.595 122.106 0.489 17879 4274 1 7 . 1 1 61 61 PHE HA H 60 4.291 4.291 4.314 -0.023 17879 4275 1 7 . 1 1 61 61 PHE C C 60 176.690 176.690 176.733 -0.043 17879 4276 1 7 . 1 1 61 61 PHE CA C 60 61.502 61.502 60.561 0.941 17879 4277 1 7 . 1 1 61 61 PHE CB C 60 39.155 39.155 39.406 -0.251 17879 4278 1 7 . 1 1 61 61 PHE H H 60 8.522 8.522 7.564 0.958 17879 4279 1 7 . 1 1 62 62 VAL N N 61 118.720 118.720 118.622 0.098 17879 4280 1 7 . 1 1 62 62 VAL HA H 61 3.070 3.070 3.287 -0.217 17879 4281 1 7 . 1 1 62 62 VAL C C 61 176.872 176.872 177.370 -0.498 17879 4282 1 7 . 1 1 62 62 VAL CA C 61 67.040 67.040 66.725 0.315 17879 4283 1 7 . 1 1 62 62 VAL CB C 61 31.119 31.119 31.298 -0.179 17879 4284 1 7 . 1 1 62 62 VAL H H 61 8.705 8.705 7.836 0.869 17879 4285 1 7 . 1 1 63 63 TYR N N 62 118.462 118.462 119.417 -0.955 17879 4286 1 7 . 1 1 63 63 TYR HA H 62 3.987 3.987 4.043 -0.056 17879 4287 1 7 . 1 1 63 63 TYR C C 62 177.325 177.325 176.879 0.446 17879 4288 1 7 . 1 1 63 63 TYR CA C 62 61.685 61.685 60.947 0.738 17879 4289 1 7 . 1 1 63 63 TYR CB C 62 37.906 37.906 37.626 0.280 17879 4290 1 7 . 1 1 63 63 TYR H H 62 7.373 7.373 7.946 -0.573 17879 4291 1 7 . 1 1 64 64 VAL N N 63 119.137 119.137 119.015 0.122 17879 4292 1 7 . 1 1 64 64 VAL HA H 63 3.342 3.342 2.774 0.568 17879 4293 1 7 . 1 1 64 64 VAL C C 63 178.326 178.326 177.832 0.494 17879 4294 1 7 . 1 1 64 64 VAL CA C 63 66.615 66.615 65.786 0.829 17879 4295 1 7 . 1 1 64 64 VAL CB C 63 31.157 31.157 31.155 0.002 17879 4296 1 7 . 1 1 64 64 VAL H H 63 7.376 7.376 7.529 -0.153 17879 4297 1 7 . 1 1 65 65 ILE N N 64 118.858 118.858 119.951 -1.093 17879 4298 1 7 . 1 1 65 65 ILE HA H 64 3.279 3.279 3.504 -0.225 17879 4299 1 7 . 1 1 65 65 ILE C C 64 177.653 177.653 178.296 -0.643 17879 4300 1 7 . 1 1 65 65 ILE CA C 64 63.682 63.682 62.211 1.471 17879 4301 1 7 . 1 1 65 65 ILE CB C 64 36.150 36.150 35.632 0.518 17879 4302 1 7 . 1 1 65 65 ILE H H 64 7.366 7.366 7.676 -0.310 17879 4303 1 7 . 1 1 66 66 ARG N N 65 118.729 118.729 119.794 -1.065 17879 4304 1 7 . 1 1 66 66 ARG HA H 65 3.397 3.397 3.831 -0.434 17879 4305 1 7 . 1 1 66 66 ARG C C 65 178.284 178.284 178.488 -0.204 17879 4306 1 7 . 1 1 66 66 ARG CA C 65 60.078 60.078 59.077 1.001 17879 4307 1 7 . 1 1 66 66 ARG CB C 65 30.022 30.022 29.851 0.171 17879 4308 1 7 . 1 1 66 66 ARG H H 65 8.463 8.463 8.242 0.221 17879 4309 1 7 . 1 1 67 67 LYS N N 66 116.643 116.643 119.350 -2.707 17879 4310 1 7 . 1 1 67 67 LYS HA H 66 3.951 3.951 3.993 -0.042 17879 4311 1 7 . 1 1 67 67 LYS C C 66 178.989 178.989 178.702 0.287 17879 4312 1 7 . 1 1 67 67 LYS CA C 66 58.347 58.347 58.889 -0.542 17879 4313 1 7 . 1 1 67 67 LYS CB C 66 31.938 31.938 31.658 0.280 17879 4314 1 7 . 1 1 67 67 LYS H H 66 7.536 7.536 7.789 -0.253 17879 4315 1 7 . 1 1 68 68 ARG N N 67 119.051 119.051 118.991 0.060 17879 4316 1 7 . 1 1 68 68 ARG HA H 67 4.104 4.104 4.009 0.095 17879 4317 1 7 . 1 1 68 68 ARG C C 67 178.122 178.122 178.560 -0.438 17879 4318 1 7 . 1 1 68 68 ARG CA C 67 58.182 58.182 58.591 -0.409 17879 4319 1 7 . 1 1 68 68 ARG CB C 67 30.273 30.273 30.254 0.019 17879 4320 1 7 . 1 1 68 68 ARG H H 67 7.783 7.783 7.750 0.033 17879 4321 1 7 . 1 1 69 69 ILE N N 68 112.456 112.456 113.483 -1.027 17879 4322 1 7 . 1 1 69 69 ILE HA H 68 4.223 4.223 3.960 0.263 17879 4323 1 7 . 1 1 69 69 ILE C C 68 174.568 174.568 175.586 -1.018 17879 4324 1 7 . 1 1 69 69 ILE CA C 68 61.502 61.502 61.922 -0.420 17879 4325 1 7 . 1 1 69 69 ILE CB C 68 38.643 38.643 37.992 0.651 17879 4326 1 7 . 1 1 69 69 ILE H H 68 7.675 7.675 7.387 0.288 17879 4327 1 7 . 1 1 70 70 MET N N 69 118.509 118.509 112.840 5.669 17879 4328 1 7 . 1 1 70 70 MET HA H 69 3.982 3.982 4.033 -0.051 17879 4329 1 7 . 1 1 70 70 MET C C 69 175.482 175.482 174.987 0.495 17879 4330 1 7 . 1 1 70 70 MET CA C 69 55.811 55.811 56.055 -0.244 17879 4331 1 7 . 1 1 70 70 MET CB C 69 29.392 29.392 29.840 -0.448 17879 4332 1 7 . 1 1 70 70 MET H H 69 7.805 7.805 7.180 0.625 17879 4333 1 7 . 1 1 71 71 LEU N N 70 121.952 121.952 121.790 0.162 17879 4334 1 7 . 1 1 71 71 LEU HA H 70 4.603 4.603 4.382 0.221 17879 4335 1 7 . 1 1 71 71 LEU CA C 70 52.560 52.560 53.747 -1.187 17879 4336 1 7 . 1 1 71 71 LEU CB C 70 44.045 44.045 42.079 1.966 17879 4337 1 7 . 1 1 71 71 LEU H H 70 7.493 7.493 7.614 -0.121 17879 4338 1 7 . 1 1 72 72 PRO HA H 71 4.678 4.678 4.797 -0.119 17879 4339 1 7 . 1 1 72 72 PRO CA C 71 62.124 62.124 61.194 0.930 17879 4340 1 7 . 1 1 72 72 PRO CB C 71 31.307 31.307 31.173 0.134 17879 4341 1 7 . 1 1 73 73 PRO HA H 72 4.123 4.123 4.387 -0.264 17879 4342 1 7 . 1 1 73 73 PRO C C 72 177.052 177.052 176.568 0.484 17879 4343 1 7 . 1 1 73 73 PRO CA C 72 64.924 64.924 64.203 0.721 17879 4344 1 7 . 1 1 73 73 PRO CB C 72 32.049 32.049 32.138 -0.089 17879 4345 1 7 . 1 1 74 74 GLU N N 73 115.091 115.091 116.366 -1.275 17879 4346 1 7 . 1 1 74 74 GLU HA H 73 4.181 4.181 4.309 -0.128 17879 4347 1 7 . 1 1 74 74 GLU C C 73 176.459 176.459 176.551 -0.092 17879 4348 1 7 . 1 1 74 74 GLU CA C 73 57.774 57.774 56.585 1.189 17879 4349 1 7 . 1 1 74 74 GLU CB C 73 28.321 28.321 28.997 -0.676 17879 4350 1 7 . 1 1 74 74 GLU H H 73 9.065 9.065 8.630 0.435 17879 4351 1 7 . 1 1 75 75 LYS N N 74 121.755 121.755 119.174 2.581 17879 4352 1 7 . 1 1 75 75 LYS HA H 74 4.520 4.520 4.572 -0.052 17879 4353 1 7 . 1 1 75 75 LYS C C 74 174.789 174.789 174.495 0.294 17879 4354 1 7 . 1 1 75 75 LYS CA C 74 54.789 54.789 55.026 -0.237 17879 4355 1 7 . 1 1 75 75 LYS CB C 74 32.882 32.882 35.637 -2.755 17879 4356 1 7 . 1 1 75 75 LYS H H 74 7.797 7.797 7.496 0.301 17879 4357 1 7 . 1 1 76 76 ALA N N 75 127.848 127.848 121.123 6.725 17879 4358 1 7 . 1 1 76 76 ALA HA H 75 4.072 4.072 4.588 -0.516 17879 4359 1 7 . 1 1 76 76 ALA C C 75 175.710 175.710 175.433 0.277 17879 4360 1 7 . 1 1 76 76 ALA CA C 75 52.226 52.226 51.006 1.220 17879 4361 1 7 . 1 1 76 76 ALA CB C 75 20.956 20.956 21.416 -0.460 17879 4362 1 7 . 1 1 76 76 ALA H H 75 8.410 8.410 8.315 0.095 17879 4363 1 7 . 1 1 77 77 ILE N N 76 114.298 114.298 119.404 -5.106 17879 4364 1 7 . 1 1 77 77 ILE HA H 76 4.593 4.593 4.441 0.152 17879 4365 1 7 . 1 1 77 77 ILE C C 76 172.379 172.379 173.369 -0.990 17879 4366 1 7 . 1 1 77 77 ILE CA C 76 59.699 59.699 61.831 -2.132 17879 4367 1 7 . 1 1 77 77 ILE CB C 76 41.218 41.218 40.553 0.665 17879 4368 1 7 . 1 1 77 77 ILE H H 76 7.193 7.193 7.844 -0.651 17879 4369 1 7 . 1 1 78 78 PHE N N 77 124.094 124.094 126.561 -2.467 17879 4370 1 7 . 1 1 78 78 PHE HA H 77 4.556 4.556 4.914 -0.358 17879 4371 1 7 . 1 1 78 78 PHE C C 77 174.359 174.359 174.848 -0.489 17879 4372 1 7 . 1 1 78 78 PHE CA C 77 56.596 56.596 56.349 0.247 17879 4373 1 7 . 1 1 78 78 PHE CB C 77 42.370 42.370 42.150 0.220 17879 4374 1 7 . 1 1 78 78 PHE H H 77 8.931 8.931 9.244 -0.313 17879 4375 1 7 . 1 1 79 79 ILE N N 78 117.724 117.724 120.900 -3.176 17879 4376 1 7 . 1 1 79 79 ILE HA H 78 5.233 5.233 5.001 0.232 17879 4377 1 7 . 1 1 79 79 ILE C C 78 173.334 173.334 175.353 -2.019 17879 4378 1 7 . 1 1 79 79 ILE CA C 78 58.130 58.130 60.799 -2.669 17879 4379 1 7 . 1 1 79 79 ILE CB C 78 39.360 39.360 38.882 0.478 17879 4380 1 7 . 1 1 79 79 ILE H H 78 8.025 8.025 8.761 -0.736 17879 4381 1 7 . 1 1 80 80 PHE N N 79 121.084 121.084 124.099 -3.015 17879 4382 1 7 . 1 1 80 80 PHE HA H 79 5.365 5.365 4.948 0.417 17879 4383 1 7 . 1 1 80 80 PHE C C 79 176.270 176.270 174.291 1.979 17879 4384 1 7 . 1 1 80 80 PHE CA C 79 55.948 55.948 56.999 -1.051 17879 4385 1 7 . 1 1 80 80 PHE CB C 79 42.763 42.763 42.745 0.018 17879 4386 1 7 . 1 1 80 80 PHE H H 79 9.210 9.210 8.951 0.259 17879 4387 1 7 . 1 1 81 81 VAL N N 80 117.974 117.974 123.043 -5.069 17879 4388 1 7 . 1 1 81 81 VAL HA H 80 4.520 4.520 4.487 0.033 17879 4389 1 7 . 1 1 81 81 VAL C C 80 175.699 175.699 175.697 0.002 17879 4390 1 7 . 1 1 81 81 VAL CA C 80 60.484 60.484 61.245 -0.760 17879 4391 1 7 . 1 1 81 81 VAL CB C 80 34.263 34.263 32.642 1.621 17879 4392 1 7 . 1 1 81 81 VAL H H 80 8.832 8.832 9.111 -0.279 17879 4393 1 7 . 1 1 82 82 ASN N N 81 127.615 127.615 126.298 1.317 17879 4394 1 7 . 1 1 82 82 ASN HA H 81 4.339 4.339 4.410 -0.071 17879 4395 1 7 . 1 1 82 82 ASN C C 81 174.036 174.036 174.225 -0.189 17879 4396 1 7 . 1 1 82 82 ASN CA C 81 55.231 55.231 54.452 0.779 17879 4397 1 7 . 1 1 82 82 ASN CB C 81 37.408 37.408 37.527 -0.119 17879 4398 1 7 . 1 1 82 82 ASN H H 81 9.689 9.689 9.353 0.336 17879 4399 1 7 . 1 1 83 83 ASP N N 82 112.699 112.699 110.989 1.710 17879 4400 1 7 . 1 1 83 83 ASP HA H 82 4.135 4.135 4.227 -0.092 17879 4401 1 7 . 1 1 83 83 ASP C C 82 174.560 174.560 174.760 -0.200 17879 4402 1 7 . 1 1 83 83 ASP CA C 82 55.638 55.638 55.547 0.091 17879 4403 1 7 . 1 1 83 83 ASP CB C 82 39.564 39.564 39.409 0.155 17879 4404 1 7 . 1 1 83 83 ASP H H 82 8.772 8.772 8.534 0.238 17879 4405 1 7 . 1 1 84 84 THR N N 83 112.567 112.567 115.075 -2.508 17879 4406 1 7 . 1 1 84 84 THR HA H 83 4.715 4.715 4.657 0.058 17879 4407 1 7 . 1 1 84 84 THR C C 83 172.200 172.200 172.937 -0.737 17879 4408 1 7 . 1 1 84 84 THR CA C 83 60.868 60.868 61.447 -0.579 17879 4409 1 7 . 1 1 84 84 THR CB C 83 72.206 72.206 71.319 0.887 17879 4410 1 7 . 1 1 84 84 THR H H 83 8.080 8.080 7.728 0.352 17879 4411 1 7 . 1 1 85 85 LEU N N 84 125.810 125.810 129.770 -3.960 17879 4412 1 7 . 1 1 85 85 LEU HA H 84 5.127 5.127 4.753 0.374 17879 4413 1 7 . 1 1 85 85 LEU CA C 84 51.927 51.927 51.974 -0.047 17879 4414 1 7 . 1 1 85 85 LEU CB C 84 42.779 42.779 43.028 -0.249 17879 4415 1 7 . 1 1 85 85 LEU H H 84 8.520 8.520 8.678 -0.158 17879 4416 1 7 . 1 1 86 86 PRO HA H 85 4.835 4.835 4.760 0.075 17879 4417 1 7 . 1 1 86 86 PRO CA C 85 60.910 60.910 61.284 -0.374 17879 4418 1 7 . 1 1 86 86 PRO CB C 85 30.852 30.852 31.125 -0.273 17879 4419 1 7 . 1 1 87 87 PRO HA H 86 4.577 4.577 4.569 0.008 17879 4420 1 7 . 1 1 87 87 PRO C C 86 177.830 177.830 176.549 1.281 17879 4421 1 7 . 1 1 87 87 PRO CA C 86 62.424 62.424 62.673 -0.249 17879 4422 1 7 . 1 1 87 87 PRO CB C 86 31.910 31.910 32.144 -0.234 17879 4423 1 7 . 1 1 88 88 THR N N 87 114.642 114.642 108.126 6.516 17879 4424 1 7 . 1 1 88 88 THR HA H 87 3.802 3.802 4.377 -0.575 17879 4425 1 7 . 1 1 88 88 THR C C 87 175.702 175.702 175.456 0.246 17879 4426 1 7 . 1 1 88 88 THR CA C 87 65.079 65.079 64.243 0.836 17879 4427 1 7 . 1 1 88 88 THR CB C 87 68.818 68.818 69.091 -0.273 17879 4428 1 7 . 1 1 88 88 THR H H 87 8.291 8.291 7.959 0.332 17879 4429 1 7 . 1 1 89 89 ALA N N 88 119.706 119.706 123.169 -3.463 17879 4430 1 7 . 1 1 89 89 ALA HA H 88 4.420 4.420 4.284 0.136 17879 4431 1 7 . 1 1 89 89 ALA C C 88 177.690 177.690 178.247 -0.557 17879 4432 1 7 . 1 1 89 89 ALA CA C 88 52.118 52.118 52.554 -0.436 17879 4433 1 7 . 1 1 89 89 ALA CB C 88 19.334 19.334 17.550 1.784 17879 4434 1 7 . 1 1 89 89 ALA H H 88 8.031 8.031 8.135 -0.104 17879 4435 1 7 . 1 1 90 90 ALA N N 89 120.388 120.388 122.150 -1.762 17879 4436 1 7 . 1 1 90 90 ALA HA H 89 4.179 4.179 4.256 -0.077 17879 4437 1 7 . 1 1 90 90 ALA C C 89 176.520 176.520 176.566 -0.046 17879 4438 1 7 . 1 1 90 90 ALA CA C 89 52.454 52.454 51.059 1.395 17879 4439 1 7 . 1 1 90 90 ALA CB C 89 19.301 19.301 17.005 2.296 17879 4440 1 7 . 1 1 90 90 ALA H H 89 7.465 7.465 8.165 -0.700 17879 4441 1 7 . 1 1 91 91 LEU N N 90 119.307 119.307 122.051 -2.744 17879 4442 1 7 . 1 1 91 91 LEU HA H 90 4.490 4.490 3.964 0.526 17879 4443 1 7 . 1 1 91 91 LEU C C 90 179.555 179.555 178.002 1.553 17879 4444 1 7 . 1 1 91 91 LEU CA C 90 54.578 54.578 56.187 -1.609 17879 4445 1 7 . 1 1 91 91 LEU CB C 90 42.689 42.689 41.900 0.789 17879 4446 1 7 . 1 1 91 91 LEU H H 90 8.458 8.458 8.426 0.032 17879 4447 1 7 . 1 1 92 92 MET N N 91 121.586 121.586 123.888 -2.302 17879 4448 1 7 . 1 1 92 92 MET HA H 91 4.231 4.231 4.000 0.231 17879 4449 1 7 . 1 1 92 92 MET C C 91 178.860 178.860 178.474 0.386 17879 4450 1 7 . 1 1 92 92 MET CA C 91 56.938 56.938 57.906 -0.968 17879 4451 1 7 . 1 1 92 92 MET CB C 91 29.372 29.372 31.062 -1.690 17879 4452 1 7 . 1 1 92 92 MET H H 91 9.203 9.203 8.504 0.699 17879 4453 1 7 . 1 1 93 93 SER N N 92 112.826 112.826 115.336 -2.510 17879 4454 1 7 . 1 1 93 93 SER HA H 92 3.978 3.978 4.243 -0.265 17879 4455 1 7 . 1 1 93 93 SER C C 92 176.318 176.318 176.240 0.078 17879 4456 1 7 . 1 1 93 93 SER CA C 92 60.871 60.871 61.062 -0.191 17879 4457 1 7 . 1 1 93 93 SER CB C 92 61.575 61.575 62.574 -0.999 17879 4458 1 7 . 1 1 93 93 SER H H 92 8.717 8.717 8.440 0.277 17879 4459 1 7 . 1 1 94 94 ALA N N 93 126.735 126.735 123.330 3.405 17879 4460 1 7 . 1 1 94 94 ALA HA H 93 4.357 4.357 4.206 0.151 17879 4461 1 7 . 1 1 94 94 ALA C C 93 180.789 180.789 178.553 2.236 17879 4462 1 7 . 1 1 94 94 ALA CA C 93 54.841 54.841 54.281 0.560 17879 4463 1 7 . 1 1 94 94 ALA CB C 93 18.603 18.603 18.671 -0.068 17879 4464 1 7 . 1 1 94 94 ALA H H 93 7.058 7.058 7.838 -0.780 17879 4465 1 7 . 1 1 95 95 ILE N N 94 118.720 118.720 117.745 0.975 17879 4466 1 7 . 1 1 95 95 ILE HA H 94 4.063 4.063 3.838 0.225 17879 4467 1 7 . 1 1 95 95 ILE C C 94 178.326 178.326 177.076 1.250 17879 4468 1 7 . 1 1 95 95 ILE CA C 94 62.755 62.755 63.041 -0.286 17879 4469 1 7 . 1 1 95 95 ILE CB C 94 36.410 36.410 38.198 -1.788 17879 4470 1 7 . 1 1 95 95 ILE H H 94 7.872 7.872 7.638 0.234 17879 4471 1 7 . 1 1 96 96 TYR N N 95 120.697 120.697 119.272 1.425 17879 4472 1 7 . 1 1 96 96 TYR HA H 95 4.007 4.007 4.191 -0.184 17879 4473 1 7 . 1 1 96 96 TYR C C 95 176.022 176.022 175.619 0.403 17879 4474 1 7 . 1 1 96 96 TYR CA C 95 62.187 62.187 59.928 2.259 17879 4475 1 7 . 1 1 96 96 TYR CB C 95 39.093 39.093 38.693 0.400 17879 4476 1 7 . 1 1 96 96 TYR H H 95 8.841 8.841 8.389 0.452 17879 4477 1 7 . 1 1 97 97 GLN N N 96 114.982 114.982 117.602 -2.620 17879 4478 1 7 . 1 1 97 97 GLN HA H 96 3.778 3.778 4.083 -0.305 17879 4479 1 7 . 1 1 97 97 GLN C C 96 177.250 177.250 176.132 1.118 17879 4480 1 7 . 1 1 97 97 GLN CA C 96 58.719 58.719 56.373 2.346 17879 4481 1 7 . 1 1 97 97 GLN CB C 96 28.286 28.286 29.395 -1.109 17879 4482 1 7 . 1 1 97 97 GLN H H 96 7.757 7.757 7.795 -0.038 17879 4483 1 7 . 1 1 98 98 GLU N N 97 114.340 114.340 117.871 -3.531 17879 4484 1 7 . 1 1 98 98 GLU HA H 97 4.099 4.099 4.310 -0.211 17879 4485 1 7 . 1 1 98 98 GLU C C 97 178.140 178.140 176.977 1.163 17879 4486 1 7 . 1 1 98 98 GLU CA C 97 57.886 57.886 56.568 1.319 17879 4487 1 7 . 1 1 98 98 GLU CB C 97 31.589 31.589 31.107 0.482 17879 4488 1 7 . 1 1 98 98 GLU H H 97 7.117 7.117 7.610 -0.493 17879 4489 1 7 . 1 1 99 99 HIS N N 98 113.377 113.377 117.661 -4.284 17879 4490 1 7 . 1 1 99 99 HIS HA H 98 4.829 4.829 4.716 0.113 17879 4491 1 7 . 1 1 99 99 HIS C C 98 175.856 175.856 174.333 1.523 17879 4492 1 7 . 1 1 99 99 HIS CA C 98 56.738 56.738 54.303 2.435 17879 4493 1 7 . 1 1 99 99 HIS CB C 98 32.930 32.930 30.909 2.021 17879 4494 1 7 . 1 1 99 99 HIS H H 98 8.247 8.247 7.886 0.361 17879 4495 1 7 . 1 1 100 100 LYS N N 99 120.905 120.905 119.269 1.636 17879 4496 1 7 . 1 1 100 100 LYS HA H 99 3.994 3.994 4.203 -0.209 17879 4497 1 7 . 1 1 100 100 LYS C C 99 174.832 174.832 175.820 -0.988 17879 4498 1 7 . 1 1 100 100 LYS CA C 99 57.693 57.693 56.295 1.398 17879 4499 1 7 . 1 1 100 100 LYS CB C 99 31.703 31.703 32.660 -0.957 17879 4500 1 7 . 1 1 100 100 LYS H H 99 8.065 8.065 7.503 0.562 17879 4501 1 7 . 1 1 101 101 ASP N N 100 124.188 124.188 120.061 4.127 17879 4502 1 7 . 1 1 101 101 ASP HA H 100 4.765 4.765 4.933 -0.168 17879 4503 1 7 . 1 1 101 101 ASP C C 100 177.692 177.692 176.299 1.393 17879 4504 1 7 . 1 1 101 101 ASP CA C 100 54.030 54.030 52.241 1.789 17879 4505 1 7 . 1 1 101 101 ASP CB C 100 43.429 43.429 44.253 -0.824 17879 4506 1 7 . 1 1 101 101 ASP H H 100 9.027 9.027 8.288 0.739 17879 4507 1 7 . 1 1 102 102 LYS N N 101 125.898 125.898 119.159 6.739 17879 4508 1 7 . 1 1 102 102 LYS HA H 101 4.239 4.239 4.150 0.089 17879 4509 1 7 . 1 1 102 102 LYS C C 101 178.053 178.053 177.469 0.584 17879 4510 1 7 . 1 1 102 102 LYS CA C 101 59.482 59.482 59.550 -0.068 17879 4511 1 7 . 1 1 102 102 LYS CB C 101 32.821 32.821 32.693 0.128 17879 4512 1 7 . 1 1 102 102 LYS H H 101 8.678 8.678 8.824 -0.146 17879 4513 1 7 . 1 1 103 103 ASP N N 102 119.326 119.326 116.137 3.189 17879 4514 1 7 . 1 1 103 103 ASP HA H 102 4.127 4.127 4.194 -0.067 17879 4515 1 7 . 1 1 103 103 ASP C C 102 176.833 176.833 177.307 -0.474 17879 4516 1 7 . 1 1 103 103 ASP CA C 102 54.666 54.666 55.211 -0.545 17879 4517 1 7 . 1 1 103 103 ASP CB C 102 39.848 39.848 40.324 -0.476 17879 4518 1 7 . 1 1 103 103 ASP H H 102 10.276 10.276 8.870 1.406 17879 4519 1 7 . 1 1 104 104 GLY N N 103 106.059 106.059 105.843 0.216 17879 4520 1 7 . 1 1 104 104 GLY C C 103 174.655 174.655 174.560 0.095 17879 4521 1 7 . 1 1 104 104 GLY CA C 103 45.319 45.319 45.062 0.257 17879 4522 1 7 . 1 1 104 104 GLY H H 103 8.173 8.173 7.662 0.511 17879 4523 1 7 . 1 1 105 105 PHE N N 104 121.781 121.781 122.381 -0.600 17879 4524 1 7 . 1 1 105 105 PHE HA H 104 4.682 4.682 4.326 0.356 17879 4525 1 7 . 1 1 105 105 PHE C C 104 174.830 174.830 175.897 -1.067 17879 4526 1 7 . 1 1 105 105 PHE CA C 104 59.377 59.377 58.677 0.700 17879 4527 1 7 . 1 1 105 105 PHE CB C 104 39.938 39.938 38.943 0.995 17879 4528 1 7 . 1 1 105 105 PHE H H 104 9.600 9.600 7.845 1.755 17879 4529 1 7 . 1 1 106 106 LEU N N 105 119.929 119.929 123.719 -3.790 17879 4530 1 7 . 1 1 106 106 LEU HA H 105 4.897 4.897 4.248 0.649 17879 4531 1 7 . 1 1 106 106 LEU C C 105 173.947 173.947 176.362 -2.415 17879 4532 1 7 . 1 1 106 106 LEU CA C 105 53.463 53.463 55.246 -1.783 17879 4533 1 7 . 1 1 106 106 LEU CB C 105 45.066 45.066 42.684 2.382 17879 4534 1 7 . 1 1 106 106 LEU H H 105 8.376 8.376 8.069 0.307 17879 4535 1 7 . 1 1 107 107 TYR N N 106 127.637 127.637 123.743 3.894 17879 4536 1 7 . 1 1 107 107 TYR HA H 106 4.992 4.992 4.759 0.233 17879 4537 1 7 . 1 1 107 107 TYR C C 106 176.099 176.099 174.565 1.534 17879 4538 1 7 . 1 1 107 107 TYR CA C 106 58.893 58.893 57.274 1.619 17879 4539 1 7 . 1 1 107 107 TYR CB C 106 38.140 38.140 38.034 0.106 17879 4540 1 7 . 1 1 107 107 TYR H H 106 9.124 9.124 8.876 0.248 17879 4541 1 7 . 1 1 108 108 VAL N N 107 121.630 121.630 121.667 -0.037 17879 4542 1 7 . 1 1 108 108 VAL HA H 107 5.135 5.135 4.485 0.650 17879 4543 1 7 . 1 1 108 108 VAL C C 107 175.722 175.722 174.831 0.891 17879 4544 1 7 . 1 1 108 108 VAL CA C 107 59.587 59.587 60.255 -0.668 17879 4545 1 7 . 1 1 108 108 VAL CB C 107 34.787 34.787 34.472 0.315 17879 4546 1 7 . 1 1 108 108 VAL H H 107 9.560 9.560 8.515 1.045 17879 4547 1 7 . 1 1 109 109 THR N N 108 119.845 119.845 117.543 2.302 17879 4548 1 7 . 1 1 109 109 THR HA H 108 6.155 6.155 5.380 0.775 17879 4549 1 7 . 1 1 109 109 THR C C 108 174.158 174.158 173.283 0.875 17879 4550 1 7 . 1 1 109 109 THR CA C 108 59.869 59.869 61.825 -1.956 17879 4551 1 7 . 1 1 109 109 THR CB C 108 72.268 72.268 71.552 0.716 17879 4552 1 7 . 1 1 109 109 THR H H 108 9.061 9.061 8.107 0.955 17879 4553 1 7 . 1 1 110 110 TYR N N 109 119.706 119.706 122.096 -2.390 17879 4554 1 7 . 1 1 110 110 TYR HA H 109 6.332 6.332 5.928 0.404 17879 4555 1 7 . 1 1 110 110 TYR C C 109 173.366 173.366 174.113 -0.747 17879 4556 1 7 . 1 1 110 110 TYR CA C 109 54.655 54.655 54.693 -0.038 17879 4557 1 7 . 1 1 110 110 TYR CB C 109 42.250 42.250 40.933 1.317 17879 4558 1 7 . 1 1 110 110 TYR H H 109 8.461 8.461 9.238 -0.777 17879 4559 1 7 . 1 1 111 111 SER N N 110 112.907 112.907 117.392 -4.485 17879 4560 1 7 . 1 1 111 111 SER HA H 110 4.745 4.745 5.013 -0.268 17879 4561 1 7 . 1 1 111 111 SER C C 110 173.692 173.692 175.698 -2.006 17879 4562 1 7 . 1 1 111 111 SER CA C 110 56.044 56.044 55.826 0.218 17879 4563 1 7 . 1 1 111 111 SER CB C 110 66.177 66.177 65.799 0.378 17879 4564 1 7 . 1 1 111 111 SER H H 110 9.089 9.089 9.235 -0.146 17879 4565 1 7 . 1 1 112 112 GLY N N 111 111.054 111.054 110.281 0.773 17879 4566 1 7 . 1 1 112 112 GLY C C 111 173.331 173.331 174.053 -0.722 17879 4567 1 7 . 1 1 112 112 GLY CA C 111 45.341 45.341 46.402 -1.061 17879 4568 1 7 . 1 1 112 112 GLY H H 111 8.443 8.443 8.759 -0.316 17879 4569 1 7 . 1 1 113 113 GLU N N 112 118.801 118.801 119.125 -0.324 17879 4570 1 7 . 1 1 113 113 GLU HA H 112 4.660 4.660 4.373 0.287 17879 4571 1 7 . 1 1 113 113 GLU C C 112 174.538 174.538 175.001 -0.463 17879 4572 1 7 . 1 1 113 113 GLU CA C 112 55.642 55.642 55.797 -0.155 17879 4573 1 7 . 1 1 113 113 GLU CB C 112 32.930 32.930 30.303 2.627 17879 4574 1 7 . 1 1 113 113 GLU H H 112 8.413 8.413 7.401 1.012 17879 4575 1 7 . 1 1 114 114 ASN N N 113 118.152 118.152 122.191 -4.039 17879 4576 1 7 . 1 1 114 114 ASN HA H 113 4.187 4.187 4.459 -0.272 17879 4577 1 7 . 1 1 114 114 ASN C C 113 175.011 175.011 174.590 0.421 17879 4578 1 7 . 1 1 114 114 ASN CA C 113 51.910 51.910 53.159 -1.249 17879 4579 1 7 . 1 1 114 114 ASN CB C 113 36.865 36.865 37.863 -0.998 17879 4580 1 7 . 1 1 114 114 ASN H H 113 8.207 8.207 8.607 -0.400 17879 4581 1 7 . 1 1 115 115 THR N N 114 112.887 112.887 116.178 -3.291 17879 4582 1 7 . 1 1 115 115 THR HA H 114 4.190 4.190 4.632 -0.442 17879 4583 1 7 . 1 1 115 115 THR C C 114 173.575 173.575 174.190 -0.615 17879 4584 1 7 . 1 1 115 115 THR CA C 114 61.149 61.149 61.219 -0.070 17879 4585 1 7 . 1 1 115 115 THR CB C 114 69.859 69.859 69.976 -0.117 17879 4586 1 7 . 1 1 115 115 THR H H 114 7.411 7.411 7.505 -0.094 17879 4587 1 7 . 1 1 116 116 PHE N N 115 121.474 121.474 118.605 2.869 17879 4588 1 7 . 1 1 116 116 PHE HA H 115 4.451 4.451 4.626 -0.175 17879 4589 1 7 . 1 1 116 116 PHE C C 115 175.078 175.078 175.127 -0.049 17879 4590 1 7 . 1 1 116 116 PHE CA C 115 57.681 57.681 55.993 1.688 17879 4591 1 7 . 1 1 116 116 PHE CB C 115 39.569 39.569 38.846 0.723 17879 4592 1 7 . 1 1 116 116 PHE H H 115 8.021 8.021 7.804 0.217 17879 4593 1 8 . 1 1 2 2 MET N N 1 122.410 122.410 118.947 3.463 17879 4594 1 8 . 1 1 2 2 MET HA H 1 4.455 4.455 4.495 -0.040 17879 4595 1 8 . 1 1 2 2 MET C C 1 175.655 175.655 176.232 -0.577 17879 4596 1 8 . 1 1 2 2 MET CA C 1 55.438 55.438 55.323 0.115 17879 4597 1 8 . 1 1 2 2 MET CB C 1 33.126 33.126 33.422 -0.296 17879 4598 1 8 . 1 1 2 2 MET H H 1 8.425 8.425 8.041 0.384 17879 4599 1 8 . 1 1 3 3 LYS N N 2 123.656 123.656 117.128 6.528 17879 4600 1 8 . 1 1 3 3 LYS HA H 2 4.326 4.326 4.915 -0.589 17879 4601 1 8 . 1 1 3 3 LYS C C 2 176.266 176.266 176.545 -0.279 17879 4602 1 8 . 1 1 3 3 LYS CA C 2 56.348 56.348 55.759 0.589 17879 4603 1 8 . 1 1 3 3 LYS CB C 2 33.219 33.219 34.580 -1.361 17879 4604 1 8 . 1 1 3 3 LYS H H 2 8.512 8.512 8.471 0.041 17879 4605 1 8 . 1 1 4 4 SER N N 3 118.350 118.350 115.655 2.695 17879 4606 1 8 . 1 1 4 4 SER HA H 3 4.631 4.631 4.757 -0.126 17879 4607 1 8 . 1 1 4 4 SER C C 3 175.421 175.421 173.989 1.432 17879 4608 1 8 . 1 1 4 4 SER CA C 3 57.629 57.629 57.106 0.523 17879 4609 1 8 . 1 1 4 4 SER CB C 3 64.079 64.079 65.421 -1.341 17879 4610 1 8 . 1 1 4 4 SER H H 3 8.426 8.426 8.421 0.005 17879 4611 1 8 . 1 1 5 5 THR N N 4 127.775 127.775 114.400 13.375 17879 4612 1 8 . 1 1 5 5 THR HA H 4 4.482 4.482 4.416 0.066 17879 4613 1 8 . 1 1 5 5 THR C C 4 174.680 174.680 174.738 -0.058 17879 4614 1 8 . 1 1 5 5 THR CA C 4 62.001 62.001 62.726 -0.725 17879 4615 1 8 . 1 1 5 5 THR CB C 4 70.137 70.137 69.510 0.627 17879 4616 1 8 . 1 1 5 5 THR H H 4 9.971 9.971 8.438 1.533 17879 4617 1 8 . 1 1 6 6 PHE N N 5 123.021 123.021 122.113 0.908 17879 4618 1 8 . 1 1 6 6 PHE HA H 5 4.125 4.125 4.167 -0.042 17879 4619 1 8 . 1 1 6 6 PHE C C 5 177.064 177.064 175.790 1.274 17879 4620 1 8 . 1 1 6 6 PHE CA C 5 63.041 63.041 60.854 2.187 17879 4621 1 8 . 1 1 6 6 PHE CB C 5 40.828 40.828 39.072 1.756 17879 4622 1 8 . 1 1 6 6 PHE H H 5 8.863 8.863 8.666 0.197 17879 4623 1 8 . 1 1 7 7 LYS N N 6 114.006 114.006 116.753 -2.747 17879 4624 1 8 . 1 1 7 7 LYS HA H 6 3.916 3.916 3.715 0.201 17879 4625 1 8 . 1 1 7 7 LYS C C 6 177.535 177.535 176.097 1.438 17879 4626 1 8 . 1 1 7 7 LYS CA C 6 60.026 60.026 56.839 3.187 17879 4627 1 8 . 1 1 7 7 LYS CB C 6 33.611 33.611 32.839 0.772 17879 4628 1 8 . 1 1 7 7 LYS H H 6 8.661 8.661 8.275 0.386 17879 4629 1 8 . 1 1 8 8 SER N N 7 111.149 111.149 113.441 -2.292 17879 4630 1 8 . 1 1 8 8 SER HA H 7 4.275 4.275 4.276 -0.001 17879 4631 1 8 . 1 1 8 8 SER C C 7 175.689 175.689 175.020 0.669 17879 4632 1 8 . 1 1 8 8 SER CA C 7 60.007 60.007 60.004 0.003 17879 4633 1 8 . 1 1 8 8 SER CB C 7 63.759 63.759 62.988 0.771 17879 4634 1 8 . 1 1 8 8 SER H H 7 7.552 7.552 7.380 0.172 17879 4635 1 8 . 1 1 9 9 GLU N N 8 122.296 122.296 120.026 2.270 17879 4636 1 8 . 1 1 9 9 GLU HA H 8 3.818 3.818 4.145 -0.327 17879 4637 1 8 . 1 1 9 9 GLU C C 8 176.068 176.068 176.053 0.015 17879 4638 1 8 . 1 1 9 9 GLU CA C 8 58.137 58.137 57.662 0.475 17879 4639 1 8 . 1 1 9 9 GLU CB C 8 30.965 30.965 30.712 0.253 17879 4640 1 8 . 1 1 9 9 GLU H H 8 7.924 7.924 7.420 0.504 17879 4641 1 8 . 1 1 10 10 TYR N N 9 115.131 115.131 115.415 -0.284 17879 4642 1 8 . 1 1 10 10 TYR HA H 9 5.066 5.066 4.982 0.084 17879 4643 1 8 . 1 1 10 10 TYR CA C 9 53.958 53.958 53.739 0.219 17879 4644 1 8 . 1 1 10 10 TYR CB C 9 41.055 41.055 37.328 3.727 17879 4645 1 8 . 1 1 10 10 TYR H H 9 7.052 7.052 6.645 0.407 17879 4646 1 8 . 1 1 11 11 PRO HA H 10 4.708 4.708 4.568 0.140 17879 4647 1 8 . 1 1 11 11 PRO C C 10 177.384 177.384 176.945 0.439 17879 4648 1 8 . 1 1 11 11 PRO CA C 10 62.279 62.279 61.940 0.339 17879 4649 1 8 . 1 1 11 11 PRO CB C 10 33.087 33.087 32.755 0.332 17879 4650 1 8 . 1 1 12 12 PHE N N 11 125.307 125.307 119.821 5.486 17879 4651 1 8 . 1 1 12 12 PHE HA H 11 3.883 3.883 4.437 -0.554 17879 4652 1 8 . 1 1 12 12 PHE C C 11 176.157 176.157 177.066 -0.909 17879 4653 1 8 . 1 1 12 12 PHE CA C 11 63.156 63.156 61.106 2.050 17879 4654 1 8 . 1 1 12 12 PHE CB C 11 39.935 39.935 39.342 0.594 17879 4655 1 8 . 1 1 12 12 PHE H H 11 9.385 9.385 8.602 0.783 17879 4656 1 8 . 1 1 13 13 GLU N N 12 115.356 115.356 118.445 -3.089 17879 4657 1 8 . 1 1 13 13 GLU HA H 12 3.857 3.857 4.092 -0.235 17879 4658 1 8 . 1 1 13 13 GLU C C 12 179.598 179.598 178.809 0.789 17879 4659 1 8 . 1 1 13 13 GLU CA C 12 60.317 60.317 59.693 0.624 17879 4660 1 8 . 1 1 13 13 GLU CB C 12 28.642 28.642 28.860 -0.218 17879 4661 1 8 . 1 1 13 13 GLU H H 12 9.800 9.800 9.148 0.652 17879 4662 1 8 . 1 1 14 14 LYS N N 13 118.194 118.194 119.169 -0.975 17879 4663 1 8 . 1 1 14 14 LYS HA H 13 4.246 4.246 4.139 0.107 17879 4664 1 8 . 1 1 14 14 LYS C C 13 178.804 178.804 177.625 1.179 17879 4665 1 8 . 1 1 14 14 LYS CA C 13 58.143 58.143 58.086 0.057 17879 4666 1 8 . 1 1 14 14 LYS CB C 13 32.770 32.770 32.476 0.294 17879 4667 1 8 . 1 1 14 14 LYS H H 13 7.160 7.160 7.455 -0.295 17879 4668 1 8 . 1 1 15 15 ARG N N 14 120.949 120.949 118.063 2.886 17879 4669 1 8 . 1 1 15 15 ARG HA H 14 3.892 3.892 4.307 -0.415 17879 4670 1 8 . 1 1 15 15 ARG C C 14 176.858 176.858 177.893 -1.035 17879 4671 1 8 . 1 1 15 15 ARG CA C 14 61.520 61.520 58.731 2.789 17879 4672 1 8 . 1 1 15 15 ARG CB C 14 32.840 32.840 30.756 2.084 17879 4673 1 8 . 1 1 15 15 ARG H H 14 7.686 7.686 8.057 -0.371 17879 4674 1 8 . 1 1 16 16 LYS N N 15 119.224 119.224 120.975 -1.751 17879 4675 1 8 . 1 1 16 16 LYS HA H 15 4.449 4.449 4.378 0.071 17879 4676 1 8 . 1 1 16 16 LYS C C 15 177.796 177.796 178.270 -0.474 17879 4677 1 8 . 1 1 16 16 LYS CA C 15 57.366 57.366 59.005 -1.639 17879 4678 1 8 . 1 1 16 16 LYS CB C 15 32.529 32.529 32.052 0.477 17879 4679 1 8 . 1 1 16 16 LYS H H 15 8.667 8.667 8.119 0.548 17879 4680 1 8 . 1 1 17 17 ALA N N 16 117.777 117.777 120.724 -2.947 17879 4681 1 8 . 1 1 17 17 ALA HA H 16 4.164 4.164 4.169 -0.005 17879 4682 1 8 . 1 1 17 17 ALA C C 16 180.641 180.641 178.699 1.942 17879 4683 1 8 . 1 1 17 17 ALA CA C 16 54.627 54.627 54.266 0.361 17879 4684 1 8 . 1 1 17 17 ALA CB C 16 18.114 18.114 18.527 -0.413 17879 4685 1 8 . 1 1 17 17 ALA H H 16 7.305 7.305 7.582 -0.277 17879 4686 1 8 . 1 1 18 18 GLU N N 17 119.934 119.934 119.151 0.783 17879 4687 1 8 . 1 1 18 18 GLU HA H 17 4.695 4.695 4.216 0.479 17879 4688 1 8 . 1 1 18 18 GLU C C 17 178.339 178.339 178.987 -0.648 17879 4689 1 8 . 1 1 18 18 GLU CA C 17 58.173 58.173 58.300 -0.127 17879 4690 1 8 . 1 1 18 18 GLU CB C 17 28.765 28.765 29.637 -0.872 17879 4691 1 8 . 1 1 18 18 GLU H H 17 7.849 7.849 7.903 -0.054 17879 4692 1 8 . 1 1 19 19 SER N N 18 117.685 117.685 115.406 2.279 17879 4693 1 8 . 1 1 19 19 SER HA H 18 3.542 3.542 4.060 -0.518 17879 4694 1 8 . 1 1 19 19 SER C C 18 178.206 178.206 176.864 1.342 17879 4695 1 8 . 1 1 19 19 SER CA C 18 62.108 62.108 61.112 0.996 17879 4696 1 8 . 1 1 19 19 SER CB C 18 59.839 59.839 62.684 -2.845 17879 4697 1 8 . 1 1 19 19 SER H H 18 8.785 8.785 8.863 -0.078 17879 4698 1 8 . 1 1 20 20 GLU N N 19 124.346 124.346 121.402 2.944 17879 4699 1 8 . 1 1 20 20 GLU HA H 19 3.988 3.988 4.185 -0.197 17879 4700 1 8 . 1 1 20 20 GLU C C 19 178.788 178.788 177.822 0.966 17879 4701 1 8 . 1 1 20 20 GLU CA C 19 59.701 59.701 58.638 1.063 17879 4702 1 8 . 1 1 20 20 GLU CB C 19 29.318 29.318 29.609 -0.291 17879 4703 1 8 . 1 1 20 20 GLU H H 19 8.052 8.052 7.984 0.068 17879 4704 1 8 . 1 1 21 21 ARG N N 20 122.089 122.089 117.610 4.479 17879 4705 1 8 . 1 1 21 21 ARG HA H 20 4.093 4.093 4.382 -0.289 17879 4706 1 8 . 1 1 21 21 ARG C C 20 179.458 179.458 178.909 0.549 17879 4707 1 8 . 1 1 21 21 ARG CA C 20 59.500 59.500 57.517 1.983 17879 4708 1 8 . 1 1 21 21 ARG CB C 20 30.412 30.412 31.203 -0.791 17879 4709 1 8 . 1 1 21 21 ARG H H 20 7.958 7.958 8.097 -0.139 17879 4710 1 8 . 1 1 22 22 ILE N N 21 119.893 119.893 121.071 -1.178 17879 4711 1 8 . 1 1 22 22 ILE HA H 21 3.623 3.623 3.713 -0.090 17879 4712 1 8 . 1 1 22 22 ILE C C 21 176.842 176.842 176.947 -0.105 17879 4713 1 8 . 1 1 22 22 ILE CA C 21 65.145 65.145 64.764 0.381 17879 4714 1 8 . 1 1 22 22 ILE CB C 21 38.195 38.195 37.712 0.483 17879 4715 1 8 . 1 1 22 22 ILE H H 21 8.277 8.277 8.213 0.064 17879 4716 1 8 . 1 1 23 23 ALA N N 22 121.816 121.816 121.355 0.461 17879 4717 1 8 . 1 1 23 23 ALA HA H 22 4.071 4.071 4.080 -0.009 17879 4718 1 8 . 1 1 23 23 ALA C C 22 179.199 179.199 177.965 1.234 17879 4719 1 8 . 1 1 23 23 ALA CA C 22 54.519 54.519 54.260 0.259 17879 4720 1 8 . 1 1 23 23 ALA CB C 22 18.001 18.001 18.523 -0.522 17879 4721 1 8 . 1 1 23 23 ALA H H 22 7.962 7.962 7.690 0.272 17879 4722 1 8 . 1 1 24 24 ASP N N 23 114.866 114.866 116.999 -2.133 17879 4723 1 8 . 1 1 24 24 ASP HA H 23 4.401 4.401 4.496 -0.095 17879 4724 1 8 . 1 1 24 24 ASP C C 23 177.324 177.324 177.535 -0.211 17879 4725 1 8 . 1 1 24 24 ASP CA C 23 56.248 56.248 55.035 1.213 17879 4726 1 8 . 1 1 24 24 ASP CB C 23 42.193 42.193 41.733 0.460 17879 4727 1 8 . 1 1 24 24 ASP H H 23 7.368 7.368 7.873 -0.505 17879 4728 1 8 . 1 1 25 25 ARG N N 24 116.868 116.868 119.075 -2.207 17879 4729 1 8 . 1 1 25 25 ARG HA H 24 3.922 3.922 3.963 -0.041 17879 4730 1 8 . 1 1 25 25 ARG C C 24 176.266 176.266 176.511 -0.245 17879 4731 1 8 . 1 1 25 25 ARG CA C 24 57.158 57.158 57.617 -0.459 17879 4732 1 8 . 1 1 25 25 ARG CB C 24 31.477 31.477 31.681 -0.204 17879 4733 1 8 . 1 1 25 25 ARG H H 24 7.815 7.815 7.465 0.350 17879 4734 1 8 . 1 1 26 26 PHE N N 25 116.737 116.737 116.551 0.186 17879 4735 1 8 . 1 1 26 26 PHE HA H 25 5.084 5.084 4.987 0.097 17879 4736 1 8 . 1 1 26 26 PHE CA C 25 54.304 54.304 54.736 -0.432 17879 4737 1 8 . 1 1 26 26 PHE CB C 25 39.026 39.026 38.878 0.148 17879 4738 1 8 . 1 1 26 26 PHE H H 25 8.658 8.658 7.994 0.664 17879 4739 1 8 . 1 1 27 27 PRO HA H 26 4.503 4.503 4.372 0.131 17879 4740 1 8 . 1 1 27 27 PRO C C 26 177.538 177.538 176.746 0.792 17879 4741 1 8 . 1 1 27 27 PRO CA C 26 64.394 64.394 64.264 0.130 17879 4742 1 8 . 1 1 27 27 PRO CB C 26 31.961 31.961 31.993 -0.032 17879 4743 1 8 . 1 1 28 28 ASN N N 27 114.596 114.596 117.562 -2.966 17879 4744 1 8 . 1 1 28 28 ASN HA H 27 4.725 4.725 4.816 -0.091 17879 4745 1 8 . 1 1 28 28 ASN C C 27 174.678 174.678 174.276 0.402 17879 4746 1 8 . 1 1 28 28 ASN CA C 27 52.868 52.868 52.804 0.064 17879 4747 1 8 . 1 1 28 28 ASN CB C 27 38.331 38.331 38.096 0.235 17879 4748 1 8 . 1 1 28 28 ASN H H 27 8.537 8.537 8.715 -0.178 17879 4749 1 8 . 1 1 29 29 ARG N N 28 116.946 116.946 119.204 -2.258 17879 4750 1 8 . 1 1 29 29 ARG HA H 28 4.769 4.769 4.897 -0.128 17879 4751 1 8 . 1 1 29 29 ARG C C 28 174.469 174.469 175.019 -0.550 17879 4752 1 8 . 1 1 29 29 ARG CA C 28 52.948 52.948 54.442 -1.494 17879 4753 1 8 . 1 1 29 29 ARG CB C 28 32.941 32.941 33.830 -0.888 17879 4754 1 8 . 1 1 29 29 ARG H H 28 7.580 7.580 7.203 0.377 17879 4755 1 8 . 1 1 30 30 ILE N N 29 121.854 121.854 120.597 1.257 17879 4756 1 8 . 1 1 30 30 ILE HA H 29 4.098 4.098 4.012 0.086 17879 4757 1 8 . 1 1 30 30 ILE CA C 29 55.558 55.558 57.252 -1.694 17879 4758 1 8 . 1 1 30 30 ILE CB C 29 38.805 38.805 39.848 -1.043 17879 4759 1 8 . 1 1 30 30 ILE H H 29 9.262 9.262 8.610 0.652 17879 4760 1 8 . 1 1 31 31 PRO HA H 30 4.856 4.856 4.598 0.258 17879 4761 1 8 . 1 1 31 31 PRO C C 30 174.121 174.121 176.497 -2.376 17879 4762 1 8 . 1 1 31 31 PRO CA C 30 61.705 61.705 62.277 -0.572 17879 4763 1 8 . 1 1 31 31 PRO CB C 30 30.966 30.966 31.281 -0.315 17879 4764 1 8 . 1 1 32 32 VAL N N 31 127.197 127.197 119.063 8.134 17879 4765 1 8 . 1 1 32 32 VAL HA H 31 4.997 4.997 4.862 0.135 17879 4766 1 8 . 1 1 32 32 VAL C C 31 174.181 174.181 173.998 0.183 17879 4767 1 8 . 1 1 32 32 VAL CA C 31 60.620 60.620 59.047 1.573 17879 4768 1 8 . 1 1 32 32 VAL CB C 31 35.645 35.645 36.170 -0.525 17879 4769 1 8 . 1 1 32 32 VAL H H 31 9.096 9.096 9.041 0.055 17879 4770 1 8 . 1 1 33 33 ILE N N 32 127.157 127.157 119.938 7.219 17879 4771 1 8 . 1 1 33 33 ILE HA H 32 4.917 4.917 4.521 0.396 17879 4772 1 8 . 1 1 33 33 ILE C C 32 174.991 174.991 175.356 -0.365 17879 4773 1 8 . 1 1 33 33 ILE CA C 32 56.589 56.589 59.377 -2.788 17879 4774 1 8 . 1 1 33 33 ILE CB C 32 35.908 35.908 38.528 -2.620 17879 4775 1 8 . 1 1 33 33 ILE H H 32 8.775 8.775 7.836 0.939 17879 4776 1 8 . 1 1 34 34 CYS N N 33 129.280 129.280 127.156 2.124 17879 4777 1 8 . 1 1 34 34 CYS HA H 33 5.559 5.559 4.428 1.131 17879 4778 1 8 . 1 1 34 34 CYS C C 33 173.218 173.218 173.554 -0.336 17879 4779 1 8 . 1 1 34 34 CYS CA C 33 57.121 57.121 60.093 -2.972 17879 4780 1 8 . 1 1 34 34 CYS CB C 33 28.880 28.880 28.386 0.494 17879 4781 1 8 . 1 1 34 34 CYS H H 33 9.738 9.738 8.905 0.833 17879 4782 1 8 . 1 1 35 35 GLU N N 34 124.130 124.130 123.904 0.226 17879 4783 1 8 . 1 1 35 35 GLU HA H 34 4.977 4.977 4.622 0.355 17879 4784 1 8 . 1 1 35 35 GLU C C 34 174.190 174.190 173.862 0.328 17879 4785 1 8 . 1 1 35 35 GLU CA C 34 54.308 54.308 55.229 -0.921 17879 4786 1 8 . 1 1 35 35 GLU CB C 34 35.281 35.281 34.142 1.139 17879 4787 1 8 . 1 1 35 35 GLU H H 34 8.531 8.531 8.560 -0.029 17879 4788 1 8 . 1 1 36 36 LYS N N 35 123.562 123.562 122.149 1.413 17879 4789 1 8 . 1 1 36 36 LYS HA H 35 3.056 3.056 4.374 -1.318 17879 4790 1 8 . 1 1 36 36 LYS C C 35 177.452 177.452 175.406 2.046 17879 4791 1 8 . 1 1 36 36 LYS CA C 35 56.374 56.374 53.393 2.981 17879 4792 1 8 . 1 1 36 36 LYS CB C 35 32.750 32.750 34.182 -1.432 17879 4793 1 8 . 1 1 36 36 LYS H H 35 8.949 8.949 8.656 0.293 17879 4794 1 8 . 1 1 37 37 ALA N N 36 129.494 129.494 129.473 0.021 17879 4795 1 8 . 1 1 37 37 ALA HA H 36 4.163 4.163 4.244 -0.081 17879 4796 1 8 . 1 1 37 37 ALA C C 36 178.375 178.375 177.918 0.457 17879 4797 1 8 . 1 1 37 37 ALA CA C 36 52.702 52.702 52.546 0.156 17879 4798 1 8 . 1 1 37 37 ALA CB C 36 18.673 18.673 19.683 -1.010 17879 4799 1 8 . 1 1 37 37 ALA H H 36 8.561 8.561 7.717 0.844 17879 4800 1 8 . 1 1 38 38 GLU N N 37 125.115 125.115 124.117 0.998 17879 4801 1 8 . 1 1 38 38 GLU HA H 37 3.959 3.959 3.900 0.059 17879 4802 1 8 . 1 1 38 38 GLU C C 37 177.516 177.516 177.442 0.074 17879 4803 1 8 . 1 1 38 38 GLU CA C 37 59.302 59.302 58.543 0.759 17879 4804 1 8 . 1 1 38 38 GLU CB C 37 30.154 30.154 29.346 0.808 17879 4805 1 8 . 1 1 38 38 GLU H H 37 8.648 8.648 8.630 0.018 17879 4806 1 8 . 1 1 39 39 LYS N N 38 115.020 115.020 119.254 -4.234 17879 4807 1 8 . 1 1 39 39 LYS HA H 38 4.188 4.188 4.035 0.153 17879 4808 1 8 . 1 1 39 39 LYS C C 38 176.244 176.244 177.645 -1.401 17879 4809 1 8 . 1 1 39 39 LYS CA C 38 56.564 56.564 57.720 -1.156 17879 4810 1 8 . 1 1 39 39 LYS CB C 38 31.484 31.484 31.903 -0.419 17879 4811 1 8 . 1 1 39 39 LYS H H 38 8.494 8.494 8.207 0.287 17879 4812 1 8 . 1 1 40 40 SER N N 39 113.091 113.091 113.114 -0.023 17879 4813 1 8 . 1 1 40 40 SER HA H 39 4.535 4.535 4.285 0.250 17879 4814 1 8 . 1 1 40 40 SER C C 39 174.896 174.896 174.343 0.553 17879 4815 1 8 . 1 1 40 40 SER CA C 39 57.985 57.985 59.199 -1.214 17879 4816 1 8 . 1 1 40 40 SER CB C 39 65.000 65.000 63.660 1.339 17879 4817 1 8 . 1 1 40 40 SER H H 39 7.346 7.346 8.085 -0.739 17879 4818 1 8 . 1 1 41 41 ASP N N 40 127.375 127.375 120.045 7.330 17879 4819 1 8 . 1 1 41 41 ASP HA H 40 4.782 4.782 4.784 -0.002 17879 4820 1 8 . 1 1 41 41 ASP C C 40 175.205 175.205 176.388 -1.183 17879 4821 1 8 . 1 1 41 41 ASP CA C 40 53.549 53.549 53.725 -0.176 17879 4822 1 8 . 1 1 41 41 ASP CB C 40 39.916 39.916 41.640 -1.724 17879 4823 1 8 . 1 1 41 41 ASP H H 40 8.744 8.744 8.424 0.320 17879 4824 1 8 . 1 1 42 42 ILE N N 41 122.943 122.943 119.683 3.260 17879 4825 1 8 . 1 1 42 42 ILE HA H 41 4.661 4.661 4.488 0.173 17879 4826 1 8 . 1 1 42 42 ILE CA C 41 59.133 59.133 59.031 0.102 17879 4827 1 8 . 1 1 42 42 ILE CB C 41 40.534 40.534 38.119 2.415 17879 4828 1 8 . 1 1 42 42 ILE H H 41 7.649 7.649 7.302 0.347 17879 4829 1 8 . 1 1 43 43 PRO HA H 42 4.414 4.414 4.558 -0.144 17879 4830 1 8 . 1 1 43 43 PRO C C 42 175.952 175.952 176.429 -0.477 17879 4831 1 8 . 1 1 43 43 PRO CA C 42 63.829 63.829 62.434 1.395 17879 4832 1 8 . 1 1 43 43 PRO CB C 42 32.895 32.895 32.323 0.572 17879 4833 1 8 . 1 1 44 44 GLU N N 43 120.369 120.369 123.371 -3.002 17879 4834 1 8 . 1 1 44 44 GLU HA H 43 4.298 4.298 4.171 0.127 17879 4835 1 8 . 1 1 44 44 GLU C C 43 175.316 175.316 176.544 -1.228 17879 4836 1 8 . 1 1 44 44 GLU CA C 43 56.400 56.400 56.526 -0.126 17879 4837 1 8 . 1 1 44 44 GLU CB C 43 31.282 31.282 30.600 0.682 17879 4838 1 8 . 1 1 44 44 GLU H H 43 8.393 8.393 8.469 -0.076 17879 4839 1 8 . 1 1 45 45 ILE N N 44 123.670 123.670 124.722 -1.052 17879 4840 1 8 . 1 1 45 45 ILE HA H 44 4.419 4.419 4.144 0.275 17879 4841 1 8 . 1 1 45 45 ILE C C 44 174.786 174.786 176.421 -1.635 17879 4842 1 8 . 1 1 45 45 ILE CA C 44 61.027 61.027 61.404 -0.377 17879 4843 1 8 . 1 1 45 45 ILE CB C 44 40.509 40.509 39.530 0.979 17879 4844 1 8 . 1 1 45 45 ILE H H 44 8.067 8.067 8.073 -0.006 17879 4845 1 8 . 1 1 46 46 ASP N N 45 123.340 123.340 123.207 0.133 17879 4846 1 8 . 1 1 46 46 ASP HA H 45 4.412 4.412 4.463 -0.051 17879 4847 1 8 . 1 1 46 46 ASP C C 45 175.494 175.494 176.002 -0.508 17879 4848 1 8 . 1 1 46 46 ASP CA C 45 55.467 55.467 56.254 -0.787 17879 4849 1 8 . 1 1 46 46 ASP CB C 45 40.320 40.320 40.898 -0.578 17879 4850 1 8 . 1 1 46 46 ASP H H 45 8.468 8.468 8.878 -0.410 17879 4851 1 8 . 1 1 47 47 LYS N N 46 121.295 121.295 117.099 4.196 17879 4852 1 8 . 1 1 47 47 LYS HA H 46 4.428 4.428 4.973 -0.544 17879 4853 1 8 . 1 1 47 47 LYS CA C 46 56.020 56.020 53.969 2.051 17879 4854 1 8 . 1 1 47 47 LYS CB C 46 34.644 34.644 35.654 -1.010 17879 4855 1 8 . 1 1 47 47 LYS H H 46 7.319 7.319 7.623 -0.304 17879 4856 1 8 . 1 1 48 48 ARG N N 47 124.949 124.949 119.216 5.733 17879 4857 1 8 . 1 1 48 48 ARG HA H 47 5.271 5.271 4.936 0.335 17879 4858 1 8 . 1 1 48 48 ARG C C 47 173.546 173.546 174.781 -1.235 17879 4859 1 8 . 1 1 48 48 ARG CA C 47 55.581 55.581 55.370 0.212 17879 4860 1 8 . 1 1 48 48 ARG CB C 47 32.992 32.992 30.560 2.432 17879 4861 1 8 . 1 1 48 48 ARG H H 47 8.558 8.558 8.319 0.239 17879 4862 1 8 . 1 1 49 49 LYS N N 48 122.812 122.812 124.710 -1.898 17879 4863 1 8 . 1 1 49 49 LYS HA H 48 5.030 5.030 4.165 0.865 17879 4864 1 8 . 1 1 49 49 LYS C C 48 174.301 174.301 174.081 0.220 17879 4865 1 8 . 1 1 49 49 LYS CA C 48 55.042 55.042 56.326 -1.284 17879 4866 1 8 . 1 1 49 49 LYS CB C 48 34.065 34.065 33.663 0.402 17879 4867 1 8 . 1 1 49 49 LYS H H 48 7.440 7.440 8.320 -0.880 17879 4868 1 8 . 1 1 50 50 TYR N N 49 124.842 124.842 124.673 0.169 17879 4869 1 8 . 1 1 50 50 TYR HA H 49 4.721 4.721 4.742 -0.021 17879 4870 1 8 . 1 1 50 50 TYR C C 49 173.674 173.674 174.121 -0.447 17879 4871 1 8 . 1 1 50 50 TYR CA C 49 57.192 57.192 57.072 0.120 17879 4872 1 8 . 1 1 50 50 TYR CB C 49 43.123 43.123 43.039 0.084 17879 4873 1 8 . 1 1 50 50 TYR H H 49 9.590 9.590 9.016 0.574 17879 4874 1 8 . 1 1 51 51 LEU N N 50 124.138 124.138 124.530 -0.392 17879 4875 1 8 . 1 1 51 51 LEU HA H 50 4.753 4.753 4.854 -0.101 17879 4876 1 8 . 1 1 51 51 LEU C C 50 176.050 176.050 174.972 1.078 17879 4877 1 8 . 1 1 51 51 LEU CA C 50 53.158 53.158 53.608 -0.450 17879 4878 1 8 . 1 1 51 51 LEU CB C 50 41.155 41.155 43.125 -1.970 17879 4879 1 8 . 1 1 51 51 LEU H H 50 8.901 8.901 8.648 0.253 17879 4880 1 8 . 1 1 52 52 VAL N N 51 123.181 123.181 119.358 3.823 17879 4881 1 8 . 1 1 52 52 VAL HA H 51 3.948 3.948 4.653 -0.705 17879 4882 1 8 . 1 1 52 52 VAL CA C 51 59.724 59.724 58.973 0.751 17879 4883 1 8 . 1 1 52 52 VAL CB C 51 33.605 33.605 32.204 1.401 17879 4884 1 8 . 1 1 52 52 VAL H H 51 8.513 8.513 8.031 0.482 17879 4885 1 8 . 1 1 53 53 PRO HA H 52 4.305 4.305 4.363 -0.058 17879 4886 1 8 . 1 1 53 53 PRO C C 52 176.607 176.607 175.932 0.675 17879 4887 1 8 . 1 1 53 53 PRO CA C 52 63.950 63.950 61.975 1.975 17879 4888 1 8 . 1 1 53 53 PRO CB C 52 32.163 32.163 32.404 -0.241 17879 4889 1 8 . 1 1 54 54 ALA N N 53 123.771 123.771 119.830 3.941 17879 4890 1 8 . 1 1 54 54 ALA HA H 53 3.720 3.720 4.198 -0.478 17879 4891 1 8 . 1 1 54 54 ALA C C 53 176.409 176.409 176.820 -0.411 17879 4892 1 8 . 1 1 54 54 ALA CA C 53 54.742 54.742 52.752 1.990 17879 4893 1 8 . 1 1 54 54 ALA CB C 53 18.948 18.948 19.358 -0.410 17879 4894 1 8 . 1 1 54 54 ALA H H 53 7.926 7.926 8.489 -0.563 17879 4895 1 8 . 1 1 55 55 ASP N N 54 111.152 111.152 117.912 -6.760 17879 4896 1 8 . 1 1 55 55 ASP HA H 54 4.621 4.621 4.595 0.026 17879 4897 1 8 . 1 1 55 55 ASP C C 54 175.823 175.823 176.284 -0.461 17879 4898 1 8 . 1 1 55 55 ASP CA C 54 52.744 52.744 54.205 -1.461 17879 4899 1 8 . 1 1 55 55 ASP CB C 54 39.861 39.861 41.502 -1.641 17879 4900 1 8 . 1 1 55 55 ASP H H 54 8.106 8.106 8.118 -0.012 17879 4901 1 8 . 1 1 56 56 LEU N N 55 121.263 121.263 122.707 -1.444 17879 4902 1 8 . 1 1 56 56 LEU HA H 55 4.351 4.351 4.335 0.016 17879 4903 1 8 . 1 1 56 56 LEU C C 55 177.459 177.459 176.438 1.021 17879 4904 1 8 . 1 1 56 56 LEU CA C 55 55.472 55.472 55.368 0.104 17879 4905 1 8 . 1 1 56 56 LEU CB C 55 43.593 43.593 43.247 0.346 17879 4906 1 8 . 1 1 56 56 LEU H H 55 7.295 7.295 7.758 -0.463 17879 4907 1 8 . 1 1 57 57 THR N N 56 114.222 114.222 115.126 -0.904 17879 4908 1 8 . 1 1 57 57 THR HA H 56 5.233 5.233 4.527 0.706 17879 4909 1 8 . 1 1 57 57 THR C C 56 176.538 176.538 175.753 0.785 17879 4910 1 8 . 1 1 57 57 THR CA C 56 60.318 60.318 60.408 -0.090 17879 4911 1 8 . 1 1 57 57 THR CB C 56 71.303 71.303 70.636 0.667 17879 4912 1 8 . 1 1 57 57 THR H H 56 8.476 8.476 8.205 0.271 17879 4913 1 8 . 1 1 58 58 VAL N N 57 122.331 122.331 121.405 0.926 17879 4914 1 8 . 1 1 58 58 VAL HA H 57 3.738 3.738 3.807 -0.069 17879 4915 1 8 . 1 1 58 58 VAL C C 57 178.743 178.743 178.025 0.718 17879 4916 1 8 . 1 1 58 58 VAL CA C 57 66.797 66.797 66.504 0.293 17879 4917 1 8 . 1 1 58 58 VAL CB C 57 31.801 31.801 31.739 0.062 17879 4918 1 8 . 1 1 58 58 VAL H H 57 8.806 8.806 8.310 0.496 17879 4919 1 8 . 1 1 59 59 GLY N N 58 105.470 105.470 104.240 1.230 17879 4920 1 8 . 1 1 59 59 GLY C C 58 176.924 176.924 176.031 0.893 17879 4921 1 8 . 1 1 59 59 GLY CA C 58 47.317 47.317 46.774 0.543 17879 4922 1 8 . 1 1 59 59 GLY H H 58 9.381 9.381 7.845 1.536 17879 4923 1 8 . 1 1 60 60 GLN N N 59 121.492 121.492 119.087 2.405 17879 4924 1 8 . 1 1 60 60 GLN HA H 59 4.166 4.166 4.362 -0.196 17879 4925 1 8 . 1 1 60 60 GLN C C 59 178.605 178.605 177.914 0.691 17879 4926 1 8 . 1 1 60 60 GLN CA C 59 58.764 58.764 57.735 1.029 17879 4927 1 8 . 1 1 60 60 GLN CB C 59 29.129 29.129 28.959 0.171 17879 4928 1 8 . 1 1 60 60 GLN H H 59 8.027 8.027 7.679 0.348 17879 4929 1 8 . 1 1 61 61 PHE N N 60 122.595 122.595 122.259 0.336 17879 4930 1 8 . 1 1 61 61 PHE HA H 60 4.291 4.291 4.321 -0.030 17879 4931 1 8 . 1 1 61 61 PHE C C 60 176.690 176.690 177.061 -0.371 17879 4932 1 8 . 1 1 61 61 PHE CA C 60 61.502 61.502 60.701 0.801 17879 4933 1 8 . 1 1 61 61 PHE CB C 60 39.155 39.155 39.514 -0.359 17879 4934 1 8 . 1 1 61 61 PHE H H 60 8.522 8.522 8.067 0.455 17879 4935 1 8 . 1 1 62 62 VAL N N 61 118.720 118.720 119.066 -0.346 17879 4936 1 8 . 1 1 62 62 VAL HA H 61 3.070 3.070 3.294 -0.224 17879 4937 1 8 . 1 1 62 62 VAL C C 61 176.872 176.872 177.251 -0.379 17879 4938 1 8 . 1 1 62 62 VAL CA C 61 67.040 67.040 66.685 0.355 17879 4939 1 8 . 1 1 62 62 VAL CB C 61 31.119 31.119 31.470 -0.351 17879 4940 1 8 . 1 1 62 62 VAL H H 61 8.705 8.705 8.208 0.497 17879 4941 1 8 . 1 1 63 63 TYR N N 62 118.462 118.462 118.912 -0.450 17879 4942 1 8 . 1 1 63 63 TYR HA H 62 3.987 3.987 4.062 -0.075 17879 4943 1 8 . 1 1 63 63 TYR C C 62 177.325 177.325 176.185 1.140 17879 4944 1 8 . 1 1 63 63 TYR CA C 62 61.685 61.685 60.633 1.052 17879 4945 1 8 . 1 1 63 63 TYR CB C 62 37.906 37.906 37.814 0.092 17879 4946 1 8 . 1 1 63 63 TYR H H 62 7.373 7.373 7.786 -0.413 17879 4947 1 8 . 1 1 64 64 VAL N N 63 119.137 119.137 116.689 2.448 17879 4948 1 8 . 1 1 64 64 VAL HA H 63 3.342 3.342 3.036 0.306 17879 4949 1 8 . 1 1 64 64 VAL C C 63 178.326 178.326 177.680 0.646 17879 4950 1 8 . 1 1 64 64 VAL CA C 63 66.615 66.615 64.939 1.676 17879 4951 1 8 . 1 1 64 64 VAL CB C 63 31.157 31.157 31.669 -0.512 17879 4952 1 8 . 1 1 64 64 VAL H H 63 7.376 7.376 7.673 -0.297 17879 4953 1 8 . 1 1 65 65 ILE N N 64 118.858 118.858 118.655 0.203 17879 4954 1 8 . 1 1 65 65 ILE HA H 64 3.279 3.279 3.529 -0.250 17879 4955 1 8 . 1 1 65 65 ILE C C 64 177.653 177.653 178.113 -0.460 17879 4956 1 8 . 1 1 65 65 ILE CA C 64 63.682 63.682 61.625 2.057 17879 4957 1 8 . 1 1 65 65 ILE CB C 64 36.150 36.150 35.647 0.503 17879 4958 1 8 . 1 1 65 65 ILE H H 64 7.366 7.366 7.316 0.050 17879 4959 1 8 . 1 1 66 66 ARG N N 65 118.729 118.729 118.387 0.342 17879 4960 1 8 . 1 1 66 66 ARG HA H 65 3.397 3.397 4.044 -0.647 17879 4961 1 8 . 1 1 66 66 ARG C C 65 178.284 178.284 177.582 0.702 17879 4962 1 8 . 1 1 66 66 ARG CA C 65 60.078 60.078 57.391 2.687 17879 4963 1 8 . 1 1 66 66 ARG CB C 65 30.022 30.022 29.868 0.154 17879 4964 1 8 . 1 1 66 66 ARG H H 65 8.463 8.463 8.241 0.222 17879 4965 1 8 . 1 1 67 67 LYS N N 66 116.643 116.643 119.074 -2.431 17879 4966 1 8 . 1 1 67 67 LYS HA H 66 3.951 3.951 4.134 -0.183 17879 4967 1 8 . 1 1 67 67 LYS C C 66 178.989 178.989 178.323 0.666 17879 4968 1 8 . 1 1 67 67 LYS CA C 66 58.347 58.347 58.447 -0.100 17879 4969 1 8 . 1 1 67 67 LYS CB C 66 31.938 31.938 32.499 -0.561 17879 4970 1 8 . 1 1 67 67 LYS H H 66 7.536 7.536 7.888 -0.352 17879 4971 1 8 . 1 1 68 68 ARG N N 67 119.051 119.051 119.212 -0.161 17879 4972 1 8 . 1 1 68 68 ARG HA H 67 4.104 4.104 4.055 0.049 17879 4973 1 8 . 1 1 68 68 ARG C C 67 178.122 178.122 178.628 -0.506 17879 4974 1 8 . 1 1 68 68 ARG CA C 67 58.182 58.182 58.815 -0.633 17879 4975 1 8 . 1 1 68 68 ARG CB C 67 30.273 30.273 30.381 -0.108 17879 4976 1 8 . 1 1 68 68 ARG H H 67 7.783 7.783 7.743 0.040 17879 4977 1 8 . 1 1 69 69 ILE N N 68 112.456 112.456 112.850 -0.394 17879 4978 1 8 . 1 1 69 69 ILE HA H 68 4.223 4.223 4.128 0.095 17879 4979 1 8 . 1 1 69 69 ILE C C 68 174.568 174.568 175.325 -0.757 17879 4980 1 8 . 1 1 69 69 ILE CA C 68 61.502 61.502 61.185 0.317 17879 4981 1 8 . 1 1 69 69 ILE CB C 68 38.643 38.643 38.011 0.631 17879 4982 1 8 . 1 1 69 69 ILE H H 68 7.675 7.675 7.073 0.602 17879 4983 1 8 . 1 1 70 70 MET N N 69 118.509 118.509 113.567 4.942 17879 4984 1 8 . 1 1 70 70 MET HA H 69 3.982 3.982 4.148 -0.166 17879 4985 1 8 . 1 1 70 70 MET C C 69 175.482 175.482 174.856 0.626 17879 4986 1 8 . 1 1 70 70 MET CA C 69 55.811 55.811 55.834 -0.023 17879 4987 1 8 . 1 1 70 70 MET CB C 69 29.392 29.392 30.171 -0.779 17879 4988 1 8 . 1 1 70 70 MET H H 69 7.805 7.805 7.511 0.294 17879 4989 1 8 . 1 1 71 71 LEU N N 70 121.952 121.952 121.508 0.444 17879 4990 1 8 . 1 1 71 71 LEU HA H 70 4.603 4.603 4.404 0.199 17879 4991 1 8 . 1 1 71 71 LEU CA C 70 52.560 52.560 53.544 -0.984 17879 4992 1 8 . 1 1 71 71 LEU CB C 70 44.045 44.045 42.015 2.030 17879 4993 1 8 . 1 1 71 71 LEU H H 70 7.493 7.493 7.534 -0.041 17879 4994 1 8 . 1 1 72 72 PRO HA H 71 4.678 4.678 4.811 -0.133 17879 4995 1 8 . 1 1 72 72 PRO CA C 71 62.124 62.124 61.176 0.948 17879 4996 1 8 . 1 1 72 72 PRO CB C 71 31.307 31.307 31.009 0.297 17879 4997 1 8 . 1 1 73 73 PRO HA H 72 4.123 4.123 4.377 -0.254 17879 4998 1 8 . 1 1 73 73 PRO C C 72 177.052 177.052 176.610 0.442 17879 4999 1 8 . 1 1 73 73 PRO CA C 72 64.924 64.924 64.215 0.709 17879 5000 1 8 . 1 1 73 73 PRO CB C 72 32.049 32.049 32.042 0.007 17879 5001 1 8 . 1 1 74 74 GLU N N 73 115.091 115.091 116.186 -1.095 17879 5002 1 8 . 1 1 74 74 GLU HA H 73 4.181 4.181 4.325 -0.144 17879 5003 1 8 . 1 1 74 74 GLU C C 73 176.459 176.459 176.549 -0.090 17879 5004 1 8 . 1 1 74 74 GLU CA C 73 57.774 57.774 56.295 1.479 17879 5005 1 8 . 1 1 74 74 GLU CB C 73 28.321 28.321 29.045 -0.724 17879 5006 1 8 . 1 1 74 74 GLU H H 73 9.065 9.065 8.542 0.523 17879 5007 1 8 . 1 1 75 75 LYS N N 74 121.755 121.755 119.641 2.114 17879 5008 1 8 . 1 1 75 75 LYS HA H 74 4.520 4.520 4.537 -0.017 17879 5009 1 8 . 1 1 75 75 LYS C C 74 174.789 174.789 174.908 -0.119 17879 5010 1 8 . 1 1 75 75 LYS CA C 74 54.789 54.789 54.724 0.065 17879 5011 1 8 . 1 1 75 75 LYS CB C 74 32.882 32.882 35.458 -2.576 17879 5012 1 8 . 1 1 75 75 LYS H H 74 7.797 7.797 7.455 0.342 17879 5013 1 8 . 1 1 76 76 ALA N N 75 127.848 127.848 122.539 5.309 17879 5014 1 8 . 1 1 76 76 ALA HA H 75 4.072 4.072 4.555 -0.483 17879 5015 1 8 . 1 1 76 76 ALA C C 75 175.710 175.710 175.224 0.486 17879 5016 1 8 . 1 1 76 76 ALA CA C 75 52.226 52.226 51.251 0.975 17879 5017 1 8 . 1 1 76 76 ALA CB C 75 20.956 20.956 21.910 -0.954 17879 5018 1 8 . 1 1 76 76 ALA H H 75 8.410 8.410 8.447 -0.037 17879 5019 1 8 . 1 1 77 77 ILE N N 76 114.298 114.298 121.553 -7.255 17879 5020 1 8 . 1 1 77 77 ILE HA H 76 4.593 4.593 4.978 -0.385 17879 5021 1 8 . 1 1 77 77 ILE C C 76 172.379 172.379 173.915 -1.536 17879 5022 1 8 . 1 1 77 77 ILE CA C 76 59.699 59.699 60.172 -0.473 17879 5023 1 8 . 1 1 77 77 ILE CB C 76 41.218 41.218 40.575 0.643 17879 5024 1 8 . 1 1 77 77 ILE H H 76 7.193 7.193 8.116 -0.923 17879 5025 1 8 . 1 1 78 78 PHE N N 77 124.094 124.094 127.071 -2.977 17879 5026 1 8 . 1 1 78 78 PHE HA H 77 4.556 4.556 4.847 -0.291 17879 5027 1 8 . 1 1 78 78 PHE C C 77 174.359 174.359 174.621 -0.262 17879 5028 1 8 . 1 1 78 78 PHE CA C 77 56.596 56.596 56.281 0.315 17879 5029 1 8 . 1 1 78 78 PHE CB C 77 42.370 42.370 42.180 0.190 17879 5030 1 8 . 1 1 78 78 PHE H H 77 8.931 8.931 9.397 -0.466 17879 5031 1 8 . 1 1 79 79 ILE N N 78 117.724 117.724 121.867 -4.143 17879 5032 1 8 . 1 1 79 79 ILE HA H 78 5.233 5.233 4.403 0.830 17879 5033 1 8 . 1 1 79 79 ILE C C 78 173.334 173.334 174.719 -1.385 17879 5034 1 8 . 1 1 79 79 ILE CA C 78 58.130 58.130 61.052 -2.922 17879 5035 1 8 . 1 1 79 79 ILE CB C 78 39.360 39.360 38.204 1.156 17879 5036 1 8 . 1 1 79 79 ILE H H 78 8.025 8.025 8.917 -0.892 17879 5037 1 8 . 1 1 80 80 PHE N N 79 121.084 121.084 125.847 -4.763 17879 5038 1 8 . 1 1 80 80 PHE HA H 79 5.365 5.365 5.298 0.067 17879 5039 1 8 . 1 1 80 80 PHE C C 79 176.270 176.270 174.713 1.557 17879 5040 1 8 . 1 1 80 80 PHE CA C 79 55.948 55.948 56.264 -0.316 17879 5041 1 8 . 1 1 80 80 PHE CB C 79 42.763 42.763 42.549 0.214 17879 5042 1 8 . 1 1 80 80 PHE H H 79 9.210 9.210 9.031 0.179 17879 5043 1 8 . 1 1 81 81 VAL N N 80 117.974 117.974 123.143 -5.169 17879 5044 1 8 . 1 1 81 81 VAL HA H 80 4.520 4.520 4.494 0.026 17879 5045 1 8 . 1 1 81 81 VAL C C 80 175.699 175.699 175.396 0.303 17879 5046 1 8 . 1 1 81 81 VAL CA C 80 60.484 60.484 61.558 -1.074 17879 5047 1 8 . 1 1 81 81 VAL CB C 80 34.263 34.263 32.907 1.356 17879 5048 1 8 . 1 1 81 81 VAL H H 80 8.832 8.832 9.001 -0.169 17879 5049 1 8 . 1 1 82 82 ASN N N 81 127.615 127.615 124.676 2.939 17879 5050 1 8 . 1 1 82 82 ASN HA H 81 4.339 4.339 4.405 -0.066 17879 5051 1 8 . 1 1 82 82 ASN C C 81 174.036 174.036 174.651 -0.615 17879 5052 1 8 . 1 1 82 82 ASN CA C 81 55.231 55.231 54.516 0.715 17879 5053 1 8 . 1 1 82 82 ASN CB C 81 37.408 37.408 37.276 0.132 17879 5054 1 8 . 1 1 82 82 ASN H H 81 9.689 9.689 9.191 0.498 17879 5055 1 8 . 1 1 83 83 ASP N N 82 112.699 112.699 111.214 1.485 17879 5056 1 8 . 1 1 83 83 ASP HA H 82 4.135 4.135 4.346 -0.211 17879 5057 1 8 . 1 1 83 83 ASP C C 82 174.560 174.560 174.693 -0.133 17879 5058 1 8 . 1 1 83 83 ASP CA C 82 55.638 55.638 55.230 0.408 17879 5059 1 8 . 1 1 83 83 ASP CB C 82 39.564 39.564 39.304 0.260 17879 5060 1 8 . 1 1 83 83 ASP H H 82 8.772 8.772 8.471 0.301 17879 5061 1 8 . 1 1 84 84 THR N N 83 112.567 112.567 113.532 -0.965 17879 5062 1 8 . 1 1 84 84 THR HA H 83 4.715 4.715 4.491 0.224 17879 5063 1 8 . 1 1 84 84 THR C C 83 172.200 172.200 172.993 -0.793 17879 5064 1 8 . 1 1 84 84 THR CA C 83 60.868 60.868 60.941 -0.072 17879 5065 1 8 . 1 1 84 84 THR CB C 83 72.206 72.206 71.508 0.698 17879 5066 1 8 . 1 1 84 84 THR H H 83 8.080 8.080 7.279 0.801 17879 5067 1 8 . 1 1 85 85 LEU N N 84 125.810 125.810 128.280 -2.470 17879 5068 1 8 . 1 1 85 85 LEU HA H 84 5.127 5.127 5.023 0.104 17879 5069 1 8 . 1 1 85 85 LEU CA C 84 51.927 51.927 51.687 0.240 17879 5070 1 8 . 1 1 85 85 LEU CB C 84 42.779 42.779 43.181 -0.402 17879 5071 1 8 . 1 1 85 85 LEU H H 84 8.520 8.520 8.455 0.065 17879 5072 1 8 . 1 1 86 86 PRO HA H 85 4.835 4.835 4.749 0.086 17879 5073 1 8 . 1 1 86 86 PRO CA C 85 60.910 60.910 61.123 -0.213 17879 5074 1 8 . 1 1 86 86 PRO CB C 85 30.852 30.852 31.137 -0.284 17879 5075 1 8 . 1 1 87 87 PRO HA H 86 4.577 4.577 4.550 0.027 17879 5076 1 8 . 1 1 87 87 PRO C C 86 177.830 177.830 177.281 0.549 17879 5077 1 8 . 1 1 87 87 PRO CA C 86 62.424 62.424 62.304 0.120 17879 5078 1 8 . 1 1 87 87 PRO CB C 86 31.910 31.910 32.194 -0.284 17879 5079 1 8 . 1 1 88 88 THR N N 87 114.642 114.642 110.383 4.259 17879 5080 1 8 . 1 1 88 88 THR HA H 87 3.802 3.802 4.234 -0.432 17879 5081 1 8 . 1 1 88 88 THR C C 87 175.702 175.702 175.892 -0.190 17879 5082 1 8 . 1 1 88 88 THR CA C 87 65.079 65.079 64.669 0.410 17879 5083 1 8 . 1 1 88 88 THR CB C 87 68.818 68.818 68.523 0.295 17879 5084 1 8 . 1 1 88 88 THR H H 87 8.291 8.291 8.157 0.134 17879 5085 1 8 . 1 1 89 89 ALA N N 88 119.706 119.706 123.100 -3.394 17879 5086 1 8 . 1 1 89 89 ALA HA H 88 4.420 4.420 4.296 0.124 17879 5087 1 8 . 1 1 89 89 ALA C C 88 177.690 177.690 177.799 -0.109 17879 5088 1 8 . 1 1 89 89 ALA CA C 88 52.118 52.118 52.359 -0.241 17879 5089 1 8 . 1 1 89 89 ALA CB C 88 19.334 19.334 17.669 1.665 17879 5090 1 8 . 1 1 89 89 ALA H H 88 8.031 8.031 8.172 -0.141 17879 5091 1 8 . 1 1 90 90 ALA N N 89 120.388 120.388 123.036 -2.648 17879 5092 1 8 . 1 1 90 90 ALA HA H 89 4.179 4.179 4.273 -0.094 17879 5093 1 8 . 1 1 90 90 ALA C C 89 176.520 176.520 176.235 0.285 17879 5094 1 8 . 1 1 90 90 ALA CA C 89 52.454 52.454 50.937 1.517 17879 5095 1 8 . 1 1 90 90 ALA CB C 89 19.301 19.301 17.071 2.230 17879 5096 1 8 . 1 1 90 90 ALA H H 89 7.465 7.465 7.338 0.127 17879 5097 1 8 . 1 1 91 91 LEU N N 90 119.307 119.307 121.688 -2.381 17879 5098 1 8 . 1 1 91 91 LEU HA H 90 4.490 4.490 3.902 0.588 17879 5099 1 8 . 1 1 91 91 LEU C C 90 179.555 179.555 178.142 1.413 17879 5100 1 8 . 1 1 91 91 LEU CA C 90 54.578 54.578 55.949 -1.371 17879 5101 1 8 . 1 1 91 91 LEU CB C 90 42.689 42.689 41.774 0.915 17879 5102 1 8 . 1 1 91 91 LEU H H 90 8.458 8.458 8.385 0.073 17879 5103 1 8 . 1 1 92 92 MET N N 91 121.586 121.586 122.753 -1.167 17879 5104 1 8 . 1 1 92 92 MET HA H 91 4.231 4.231 3.963 0.268 17879 5105 1 8 . 1 1 92 92 MET C C 91 178.860 178.860 178.498 0.362 17879 5106 1 8 . 1 1 92 92 MET CA C 91 56.938 56.938 58.209 -1.271 17879 5107 1 8 . 1 1 92 92 MET CB C 91 29.372 29.372 31.002 -1.630 17879 5108 1 8 . 1 1 92 92 MET H H 91 9.203 9.203 8.360 0.843 17879 5109 1 8 . 1 1 93 93 SER N N 92 112.826 112.826 115.308 -2.482 17879 5110 1 8 . 1 1 93 93 SER HA H 92 3.978 3.978 4.130 -0.152 17879 5111 1 8 . 1 1 93 93 SER C C 92 176.318 176.318 176.342 -0.024 17879 5112 1 8 . 1 1 93 93 SER CA C 92 60.871 60.871 61.085 -0.214 17879 5113 1 8 . 1 1 93 93 SER CB C 92 61.575 61.575 62.501 -0.926 17879 5114 1 8 . 1 1 93 93 SER H H 92 8.717 8.717 8.384 0.333 17879 5115 1 8 . 1 1 94 94 ALA N N 93 126.735 126.735 123.440 3.295 17879 5116 1 8 . 1 1 94 94 ALA HA H 93 4.357 4.357 4.176 0.181 17879 5117 1 8 . 1 1 94 94 ALA C C 93 180.789 180.789 178.500 2.289 17879 5118 1 8 . 1 1 94 94 ALA CA C 93 54.841 54.841 54.327 0.514 17879 5119 1 8 . 1 1 94 94 ALA CB C 93 18.603 18.603 18.510 0.093 17879 5120 1 8 . 1 1 94 94 ALA H H 93 7.058 7.058 8.047 -0.989 17879 5121 1 8 . 1 1 95 95 ILE N N 94 118.720 118.720 117.926 0.794 17879 5122 1 8 . 1 1 95 95 ILE HA H 94 4.063 4.063 3.892 0.171 17879 5123 1 8 . 1 1 95 95 ILE C C 94 178.326 178.326 177.048 1.278 17879 5124 1 8 . 1 1 95 95 ILE CA C 94 62.755 62.755 63.024 -0.269 17879 5125 1 8 . 1 1 95 95 ILE CB C 94 36.410 36.410 38.246 -1.836 17879 5126 1 8 . 1 1 95 95 ILE H H 94 7.872 7.872 7.658 0.214 17879 5127 1 8 . 1 1 96 96 TYR N N 95 120.697 120.697 119.938 0.759 17879 5128 1 8 . 1 1 96 96 TYR HA H 95 4.007 4.007 4.193 -0.186 17879 5129 1 8 . 1 1 96 96 TYR C C 95 176.022 176.022 176.316 -0.294 17879 5130 1 8 . 1 1 96 96 TYR CA C 95 62.187 62.187 60.215 1.972 17879 5131 1 8 . 1 1 96 96 TYR CB C 95 39.093 39.093 38.621 0.472 17879 5132 1 8 . 1 1 96 96 TYR H H 95 8.841 8.841 8.625 0.216 17879 5133 1 8 . 1 1 97 97 GLN N N 96 114.982 114.982 117.544 -2.562 17879 5134 1 8 . 1 1 97 97 GLN HA H 96 3.778 3.778 4.340 -0.562 17879 5135 1 8 . 1 1 97 97 GLN C C 96 177.250 177.250 176.346 0.904 17879 5136 1 8 . 1 1 97 97 GLN CA C 96 58.719 58.719 56.521 2.198 17879 5137 1 8 . 1 1 97 97 GLN CB C 96 28.286 28.286 29.085 -0.799 17879 5138 1 8 . 1 1 97 97 GLN H H 96 7.757 7.757 7.803 -0.046 17879 5139 1 8 . 1 1 98 98 GLU N N 97 114.340 114.340 117.680 -3.340 17879 5140 1 8 . 1 1 98 98 GLU HA H 97 4.099 4.099 4.295 -0.196 17879 5141 1 8 . 1 1 98 98 GLU C C 97 178.140 178.140 177.046 1.094 17879 5142 1 8 . 1 1 98 98 GLU CA C 97 57.886 57.886 56.703 1.183 17879 5143 1 8 . 1 1 98 98 GLU CB C 97 31.589 31.589 31.273 0.316 17879 5144 1 8 . 1 1 98 98 GLU H H 97 7.117 7.117 7.805 -0.688 17879 5145 1 8 . 1 1 99 99 HIS N N 98 113.377 113.377 117.969 -4.592 17879 5146 1 8 . 1 1 99 99 HIS HA H 98 4.829 4.829 4.776 0.053 17879 5147 1 8 . 1 1 99 99 HIS C C 98 175.856 175.856 174.111 1.745 17879 5148 1 8 . 1 1 99 99 HIS CA C 98 56.738 56.738 54.639 2.099 17879 5149 1 8 . 1 1 99 99 HIS CB C 98 32.930 32.930 30.110 2.820 17879 5150 1 8 . 1 1 99 99 HIS H H 98 8.247 8.247 8.010 0.237 17879 5151 1 8 . 1 1 100 100 LYS N N 99 120.905 120.905 119.000 1.905 17879 5152 1 8 . 1 1 100 100 LYS HA H 99 3.994 3.994 3.798 0.196 17879 5153 1 8 . 1 1 100 100 LYS C C 99 174.832 174.832 175.573 -0.741 17879 5154 1 8 . 1 1 100 100 LYS CA C 99 57.693 57.693 56.727 0.966 17879 5155 1 8 . 1 1 100 100 LYS CB C 99 31.703 31.703 32.519 -0.816 17879 5156 1 8 . 1 1 100 100 LYS H H 99 8.065 8.065 7.604 0.461 17879 5157 1 8 . 1 1 101 101 ASP N N 100 124.188 124.188 120.132 4.056 17879 5158 1 8 . 1 1 101 101 ASP HA H 100 4.765 4.765 4.898 -0.133 17879 5159 1 8 . 1 1 101 101 ASP C C 100 177.692 177.692 176.383 1.309 17879 5160 1 8 . 1 1 101 101 ASP CA C 100 54.030 54.030 51.978 2.052 17879 5161 1 8 . 1 1 101 101 ASP CB C 100 43.429 43.429 43.616 -0.187 17879 5162 1 8 . 1 1 101 101 ASP H H 100 9.027 9.027 7.788 1.239 17879 5163 1 8 . 1 1 102 102 LYS N N 101 125.898 125.898 119.143 6.755 17879 5164 1 8 . 1 1 102 102 LYS HA H 101 4.239 4.239 4.237 0.002 17879 5165 1 8 . 1 1 102 102 LYS C C 101 178.053 178.053 177.141 0.912 17879 5166 1 8 . 1 1 102 102 LYS CA C 101 59.482 59.482 59.017 0.464 17879 5167 1 8 . 1 1 102 102 LYS CB C 101 32.821 32.821 32.748 0.073 17879 5168 1 8 . 1 1 102 102 LYS H H 101 8.678 8.678 8.829 -0.151 17879 5169 1 8 . 1 1 103 103 ASP N N 102 119.326 119.326 114.916 4.410 17879 5170 1 8 . 1 1 103 103 ASP HA H 102 4.127 4.127 4.443 -0.316 17879 5171 1 8 . 1 1 103 103 ASP C C 102 176.833 176.833 176.925 -0.092 17879 5172 1 8 . 1 1 103 103 ASP CA C 102 54.666 54.666 53.937 0.729 17879 5173 1 8 . 1 1 103 103 ASP CB C 102 39.848 39.848 40.959 -1.111 17879 5174 1 8 . 1 1 103 103 ASP H H 102 10.276 10.276 8.228 2.048 17879 5175 1 8 . 1 1 104 104 GLY N N 103 106.059 106.059 107.769 -1.710 17879 5176 1 8 . 1 1 104 104 GLY C C 103 174.655 174.655 174.429 0.226 17879 5177 1 8 . 1 1 104 104 GLY CA C 103 45.319 45.319 45.689 -0.370 17879 5178 1 8 . 1 1 104 104 GLY H H 103 8.173 8.173 7.989 0.184 17879 5179 1 8 . 1 1 105 105 PHE N N 104 121.781 121.781 120.984 0.797 17879 5180 1 8 . 1 1 105 105 PHE HA H 104 4.682 4.682 4.439 0.243 17879 5181 1 8 . 1 1 105 105 PHE C C 104 174.830 174.830 176.136 -1.306 17879 5182 1 8 . 1 1 105 105 PHE CA C 104 59.377 59.377 59.346 0.031 17879 5183 1 8 . 1 1 105 105 PHE CB C 104 39.938 39.938 39.310 0.628 17879 5184 1 8 . 1 1 105 105 PHE H H 104 9.600 9.600 7.646 1.954 17879 5185 1 8 . 1 1 106 106 LEU N N 105 119.929 119.929 123.720 -3.791 17879 5186 1 8 . 1 1 106 106 LEU HA H 105 4.897 4.897 4.155 0.742 17879 5187 1 8 . 1 1 106 106 LEU C C 105 173.947 173.947 176.284 -2.337 17879 5188 1 8 . 1 1 106 106 LEU CA C 105 53.463 53.463 54.330 -0.867 17879 5189 1 8 . 1 1 106 106 LEU CB C 105 45.066 45.066 43.032 2.034 17879 5190 1 8 . 1 1 106 106 LEU H H 105 8.376 8.376 8.550 -0.174 17879 5191 1 8 . 1 1 107 107 TYR N N 106 127.637 127.637 121.820 5.817 17879 5192 1 8 . 1 1 107 107 TYR HA H 106 4.992 4.992 4.716 0.276 17879 5193 1 8 . 1 1 107 107 TYR C C 106 176.099 176.099 174.846 1.253 17879 5194 1 8 . 1 1 107 107 TYR CA C 106 58.893 58.893 57.126 1.767 17879 5195 1 8 . 1 1 107 107 TYR CB C 106 38.140 38.140 38.144 -0.004 17879 5196 1 8 . 1 1 107 107 TYR H H 106 9.124 9.124 8.288 0.836 17879 5197 1 8 . 1 1 108 108 VAL N N 107 121.630 121.630 122.297 -0.667 17879 5198 1 8 . 1 1 108 108 VAL HA H 107 5.135 5.135 4.628 0.507 17879 5199 1 8 . 1 1 108 108 VAL C C 107 175.722 175.722 174.873 0.849 17879 5200 1 8 . 1 1 108 108 VAL CA C 107 59.587 59.587 59.618 -0.031 17879 5201 1 8 . 1 1 108 108 VAL CB C 107 34.787 34.787 34.479 0.308 17879 5202 1 8 . 1 1 108 108 VAL H H 107 9.560 9.560 8.234 1.326 17879 5203 1 8 . 1 1 109 109 THR N N 108 119.845 119.845 119.067 0.778 17879 5204 1 8 . 1 1 109 109 THR HA H 108 6.155 6.155 5.069 1.086 17879 5205 1 8 . 1 1 109 109 THR C C 108 174.158 174.158 173.657 0.501 17879 5206 1 8 . 1 1 109 109 THR CA C 108 59.869 59.869 62.135 -2.266 17879 5207 1 8 . 1 1 109 109 THR CB C 108 72.268 72.268 70.771 1.497 17879 5208 1 8 . 1 1 109 109 THR H H 108 9.061 9.061 8.230 0.831 17879 5209 1 8 . 1 1 110 110 TYR N N 109 119.706 119.706 125.705 -5.999 17879 5210 1 8 . 1 1 110 110 TYR HA H 109 6.332 6.332 5.646 0.686 17879 5211 1 8 . 1 1 110 110 TYR C C 109 173.366 173.366 173.842 -0.476 17879 5212 1 8 . 1 1 110 110 TYR CA C 109 54.655 54.655 55.022 -0.367 17879 5213 1 8 . 1 1 110 110 TYR CB C 109 42.250 42.250 40.063 2.187 17879 5214 1 8 . 1 1 110 110 TYR H H 109 8.461 8.461 9.483 -1.022 17879 5215 1 8 . 1 1 111 111 SER N N 110 112.907 112.907 117.640 -4.733 17879 5216 1 8 . 1 1 111 111 SER HA H 110 4.745 4.745 4.884 -0.139 17879 5217 1 8 . 1 1 111 111 SER C C 110 173.692 173.692 175.126 -1.434 17879 5218 1 8 . 1 1 111 111 SER CA C 110 56.044 56.044 55.730 0.314 17879 5219 1 8 . 1 1 111 111 SER CB C 110 66.177 66.177 66.431 -0.254 17879 5220 1 8 . 1 1 111 111 SER H H 110 9.089 9.089 9.101 -0.012 17879 5221 1 8 . 1 1 112 112 GLY N N 111 111.054 111.054 108.487 2.567 17879 5222 1 8 . 1 1 112 112 GLY C C 111 173.331 173.331 174.123 -0.792 17879 5223 1 8 . 1 1 112 112 GLY CA C 111 45.341 45.341 45.028 0.313 17879 5224 1 8 . 1 1 112 112 GLY H H 111 8.443 8.443 9.085 -0.642 17879 5225 1 8 . 1 1 113 113 GLU N N 112 118.801 118.801 118.386 0.415 17879 5226 1 8 . 1 1 113 113 GLU HA H 112 4.660 4.660 4.783 -0.123 17879 5227 1 8 . 1 1 113 113 GLU C C 112 174.538 174.538 174.792 -0.254 17879 5228 1 8 . 1 1 113 113 GLU CA C 112 55.642 55.642 54.591 1.051 17879 5229 1 8 . 1 1 113 113 GLU CB C 112 32.930 32.930 31.691 1.239 17879 5230 1 8 . 1 1 113 113 GLU H H 112 8.413 8.413 7.753 0.660 17879 5231 1 8 . 1 1 114 114 ASN N N 113 118.152 118.152 118.060 0.092 17879 5232 1 8 . 1 1 114 114 ASN HA H 113 4.187 4.187 4.414 -0.227 17879 5233 1 8 . 1 1 114 114 ASN C C 113 175.011 175.011 174.971 0.040 17879 5234 1 8 . 1 1 114 114 ASN CA C 113 51.910 51.910 53.248 -1.338 17879 5235 1 8 . 1 1 114 114 ASN CB C 113 36.865 36.865 38.172 -1.307 17879 5236 1 8 . 1 1 114 114 ASN H H 113 8.207 8.207 8.660 -0.453 17879 5237 1 8 . 1 1 115 115 THR N N 114 112.887 112.887 113.875 -0.988 17879 5238 1 8 . 1 1 115 115 THR HA H 114 4.190 4.190 3.843 0.347 17879 5239 1 8 . 1 1 115 115 THR C C 114 173.575 173.575 173.314 0.261 17879 5240 1 8 . 1 1 115 115 THR CA C 114 61.149 61.149 61.890 -0.741 17879 5241 1 8 . 1 1 115 115 THR CB C 114 69.859 69.859 69.329 0.530 17879 5242 1 8 . 1 1 115 115 THR H H 114 7.411 7.411 7.597 -0.186 17879 5243 1 8 . 1 1 116 116 PHE N N 115 121.474 121.474 116.218 5.256 17879 5244 1 8 . 1 1 116 116 PHE HA H 115 4.451 4.451 4.517 -0.066 17879 5245 1 8 . 1 1 116 116 PHE C C 115 175.078 175.078 173.747 1.331 17879 5246 1 8 . 1 1 116 116 PHE CA C 115 57.681 57.681 56.600 1.081 17879 5247 1 8 . 1 1 116 116 PHE CB C 115 39.569 39.569 39.313 0.256 17879 5248 1 8 . 1 1 116 116 PHE H H 115 8.021 8.021 7.517 0.504 17879 5249 1 9 . 1 1 2 2 MET N N 1 122.410 122.410 120.234 2.176 17879 5250 1 9 . 1 1 2 2 MET HA H 1 4.455 4.455 4.413 0.042 17879 5251 1 9 . 1 1 2 2 MET C C 1 175.655 175.655 176.259 -0.604 17879 5252 1 9 . 1 1 2 2 MET CA C 1 55.438 55.438 56.701 -1.263 17879 5253 1 9 . 1 1 2 2 MET CB C 1 33.126 33.126 33.197 -0.071 17879 5254 1 9 . 1 1 2 2 MET H H 1 8.425 8.425 8.089 0.336 17879 5255 1 9 . 1 1 3 3 LYS N N 2 123.656 123.656 119.462 4.194 17879 5256 1 9 . 1 1 3 3 LYS HA H 2 4.326 4.326 4.546 -0.220 17879 5257 1 9 . 1 1 3 3 LYS C C 2 176.266 176.266 176.046 0.220 17879 5258 1 9 . 1 1 3 3 LYS CA C 2 56.348 56.348 56.260 0.088 17879 5259 1 9 . 1 1 3 3 LYS CB C 2 33.219 33.219 34.414 -1.195 17879 5260 1 9 . 1 1 3 3 LYS H H 2 8.512 8.512 8.707 -0.195 17879 5261 1 9 . 1 1 4 4 SER N N 3 118.350 118.350 113.100 5.250 17879 5262 1 9 . 1 1 4 4 SER HA H 3 4.631 4.631 4.778 -0.147 17879 5263 1 9 . 1 1 4 4 SER C C 3 175.421 175.421 173.465 1.956 17879 5264 1 9 . 1 1 4 4 SER CA C 3 57.629 57.629 56.745 0.885 17879 5265 1 9 . 1 1 4 4 SER CB C 3 64.079 64.079 66.246 -2.167 17879 5266 1 9 . 1 1 4 4 SER H H 3 8.426 8.426 7.886 0.540 17879 5267 1 9 . 1 1 5 5 THR N N 4 127.775 127.775 115.523 12.252 17879 5268 1 9 . 1 1 5 5 THR HA H 4 4.482 4.482 4.418 0.064 17879 5269 1 9 . 1 1 5 5 THR C C 4 174.680 174.680 175.726 -1.046 17879 5270 1 9 . 1 1 5 5 THR CA C 4 62.001 62.001 63.300 -1.299 17879 5271 1 9 . 1 1 5 5 THR CB C 4 70.137 70.137 69.374 0.763 17879 5272 1 9 . 1 1 5 5 THR H H 4 9.971 9.971 8.482 1.489 17879 5273 1 9 . 1 1 6 6 PHE N N 5 123.021 123.021 121.507 1.514 17879 5274 1 9 . 1 1 6 6 PHE HA H 5 4.125 4.125 4.309 -0.184 17879 5275 1 9 . 1 1 6 6 PHE C C 5 177.064 177.064 175.127 1.937 17879 5276 1 9 . 1 1 6 6 PHE CA C 5 63.041 63.041 60.068 2.973 17879 5277 1 9 . 1 1 6 6 PHE CB C 5 40.828 40.828 38.982 1.846 17879 5278 1 9 . 1 1 6 6 PHE H H 5 8.863 8.863 8.535 0.328 17879 5279 1 9 . 1 1 7 7 LYS N N 6 114.006 114.006 114.422 -0.416 17879 5280 1 9 . 1 1 7 7 LYS HA H 6 3.916 3.916 3.872 0.044 17879 5281 1 9 . 1 1 7 7 LYS C C 6 177.535 177.535 176.762 0.773 17879 5282 1 9 . 1 1 7 7 LYS CA C 6 60.026 60.026 55.999 4.027 17879 5283 1 9 . 1 1 7 7 LYS CB C 6 33.611 33.611 32.589 1.022 17879 5284 1 9 . 1 1 7 7 LYS H H 6 8.661 8.661 8.237 0.424 17879 5285 1 9 . 1 1 8 8 SER N N 7 111.149 111.149 113.381 -2.232 17879 5286 1 9 . 1 1 8 8 SER HA H 7 4.275 4.275 4.389 -0.114 17879 5287 1 9 . 1 1 8 8 SER C C 7 175.689 175.689 175.044 0.645 17879 5288 1 9 . 1 1 8 8 SER CA C 7 60.007 60.007 58.907 1.100 17879 5289 1 9 . 1 1 8 8 SER CB C 7 63.759 63.759 62.922 0.837 17879 5290 1 9 . 1 1 8 8 SER H H 7 7.552 7.552 7.583 -0.031 17879 5291 1 9 . 1 1 9 9 GLU N N 8 122.296 122.296 121.773 0.523 17879 5292 1 9 . 1 1 9 9 GLU HA H 8 3.818 3.818 4.179 -0.361 17879 5293 1 9 . 1 1 9 9 GLU C C 8 176.068 176.068 176.562 -0.494 17879 5294 1 9 . 1 1 9 9 GLU CA C 8 58.137 58.137 57.678 0.459 17879 5295 1 9 . 1 1 9 9 GLU CB C 8 30.965 30.965 29.945 1.020 17879 5296 1 9 . 1 1 9 9 GLU H H 8 7.924 7.924 7.836 0.088 17879 5297 1 9 . 1 1 10 10 TYR N N 9 115.131 115.131 117.134 -2.003 17879 5298 1 9 . 1 1 10 10 TYR HA H 9 5.066 5.066 4.973 0.093 17879 5299 1 9 . 1 1 10 10 TYR CA C 9 53.958 53.958 53.885 0.073 17879 5300 1 9 . 1 1 10 10 TYR CB C 9 41.055 41.055 37.884 3.171 17879 5301 1 9 . 1 1 10 10 TYR H H 9 7.052 7.052 7.160 -0.108 17879 5302 1 9 . 1 1 11 11 PRO HA H 10 4.708 4.708 4.604 0.104 17879 5303 1 9 . 1 1 11 11 PRO C C 10 177.384 177.384 177.224 0.160 17879 5304 1 9 . 1 1 11 11 PRO CA C 10 62.279 62.279 61.799 0.480 17879 5305 1 9 . 1 1 11 11 PRO CB C 10 33.087 33.087 32.783 0.304 17879 5306 1 9 . 1 1 12 12 PHE N N 11 125.307 125.307 121.352 3.955 17879 5307 1 9 . 1 1 12 12 PHE HA H 11 3.883 3.883 4.264 -0.381 17879 5308 1 9 . 1 1 12 12 PHE C C 11 176.157 176.157 176.986 -0.829 17879 5309 1 9 . 1 1 12 12 PHE CA C 11 63.156 63.156 62.324 0.832 17879 5310 1 9 . 1 1 12 12 PHE CB C 11 39.935 39.935 39.326 0.609 17879 5311 1 9 . 1 1 12 12 PHE H H 11 9.385 9.385 8.731 0.654 17879 5312 1 9 . 1 1 13 13 GLU N N 12 115.356 115.356 117.079 -1.723 17879 5313 1 9 . 1 1 13 13 GLU HA H 12 3.857 3.857 4.027 -0.170 17879 5314 1 9 . 1 1 13 13 GLU C C 12 179.598 179.598 179.172 0.426 17879 5315 1 9 . 1 1 13 13 GLU CA C 12 60.317 60.317 59.729 0.588 17879 5316 1 9 . 1 1 13 13 GLU CB C 12 28.642 28.642 28.927 -0.285 17879 5317 1 9 . 1 1 13 13 GLU H H 12 9.800 9.800 9.259 0.541 17879 5318 1 9 . 1 1 14 14 LYS N N 13 118.194 118.194 118.873 -0.679 17879 5319 1 9 . 1 1 14 14 LYS HA H 13 4.246 4.246 4.237 0.009 17879 5320 1 9 . 1 1 14 14 LYS C C 13 178.804 178.804 178.662 0.142 17879 5321 1 9 . 1 1 14 14 LYS CA C 13 58.143 58.143 58.247 -0.104 17879 5322 1 9 . 1 1 14 14 LYS CB C 13 32.770 32.770 32.898 -0.128 17879 5323 1 9 . 1 1 14 14 LYS H H 13 7.160 7.160 7.684 -0.524 17879 5324 1 9 . 1 1 15 15 ARG N N 14 120.949 120.949 119.036 1.913 17879 5325 1 9 . 1 1 15 15 ARG HA H 14 3.892 3.892 4.542 -0.650 17879 5326 1 9 . 1 1 15 15 ARG C C 14 176.858 176.858 178.676 -1.818 17879 5327 1 9 . 1 1 15 15 ARG CA C 14 61.520 61.520 59.281 2.239 17879 5328 1 9 . 1 1 15 15 ARG CB C 14 32.840 32.840 30.303 2.537 17879 5329 1 9 . 1 1 15 15 ARG H H 14 7.686 7.686 8.174 -0.488 17879 5330 1 9 . 1 1 16 16 LYS N N 15 119.224 119.224 119.937 -0.713 17879 5331 1 9 . 1 1 16 16 LYS HA H 15 4.449 4.449 4.420 0.029 17879 5332 1 9 . 1 1 16 16 LYS C C 15 177.796 177.796 177.495 0.301 17879 5333 1 9 . 1 1 16 16 LYS CA C 15 57.366 57.366 58.183 -0.817 17879 5334 1 9 . 1 1 16 16 LYS CB C 15 32.529 32.529 32.170 0.359 17879 5335 1 9 . 1 1 16 16 LYS H H 15 8.667 8.667 8.428 0.239 17879 5336 1 9 . 1 1 17 17 ALA N N 16 117.777 117.777 120.879 -3.102 17879 5337 1 9 . 1 1 17 17 ALA HA H 16 4.164 4.164 4.286 -0.122 17879 5338 1 9 . 1 1 17 17 ALA C C 16 180.641 180.641 179.226 1.415 17879 5339 1 9 . 1 1 17 17 ALA CA C 16 54.627 54.627 53.936 0.691 17879 5340 1 9 . 1 1 17 17 ALA CB C 16 18.114 18.114 18.198 -0.084 17879 5341 1 9 . 1 1 17 17 ALA H H 16 7.305 7.305 7.536 -0.231 17879 5342 1 9 . 1 1 18 18 GLU N N 17 119.934 119.934 120.140 -0.206 17879 5343 1 9 . 1 1 18 18 GLU HA H 17 4.695 4.695 4.213 0.482 17879 5344 1 9 . 1 1 18 18 GLU C C 17 178.339 178.339 178.088 0.251 17879 5345 1 9 . 1 1 18 18 GLU CA C 17 58.173 58.173 58.466 -0.293 17879 5346 1 9 . 1 1 18 18 GLU CB C 17 28.765 28.765 29.725 -0.960 17879 5347 1 9 . 1 1 18 18 GLU H H 17 7.849 7.849 7.993 -0.144 17879 5348 1 9 . 1 1 19 19 SER N N 18 117.685 117.685 115.014 2.671 17879 5349 1 9 . 1 1 19 19 SER HA H 18 3.542 3.542 3.707 -0.165 17879 5350 1 9 . 1 1 19 19 SER C C 18 178.206 178.206 176.524 1.682 17879 5351 1 9 . 1 1 19 19 SER CA C 18 62.108 62.108 60.528 1.580 17879 5352 1 9 . 1 1 19 19 SER CB C 18 59.839 59.839 62.020 -2.181 17879 5353 1 9 . 1 1 19 19 SER H H 18 8.785 8.785 7.495 1.290 17879 5354 1 9 . 1 1 20 20 GLU N N 19 124.346 124.346 120.926 3.420 17879 5355 1 9 . 1 1 20 20 GLU HA H 19 3.988 3.988 4.122 -0.134 17879 5356 1 9 . 1 1 20 20 GLU C C 19 178.788 178.788 177.739 1.049 17879 5357 1 9 . 1 1 20 20 GLU CA C 19 59.701 59.701 58.283 1.418 17879 5358 1 9 . 1 1 20 20 GLU CB C 19 29.318 29.318 29.755 -0.437 17879 5359 1 9 . 1 1 20 20 GLU H H 19 8.052 8.052 7.669 0.383 17879 5360 1 9 . 1 1 21 21 ARG N N 20 122.089 122.089 117.254 4.835 17879 5361 1 9 . 1 1 21 21 ARG HA H 20 4.093 4.093 4.342 -0.249 17879 5362 1 9 . 1 1 21 21 ARG C C 20 179.458 179.458 178.387 1.071 17879 5363 1 9 . 1 1 21 21 ARG CA C 20 59.500 59.500 58.064 1.436 17879 5364 1 9 . 1 1 21 21 ARG CB C 20 30.412 30.412 30.410 0.002 17879 5365 1 9 . 1 1 21 21 ARG H H 20 7.958 7.958 7.776 0.182 17879 5366 1 9 . 1 1 22 22 ILE N N 21 119.893 119.893 120.783 -0.890 17879 5367 1 9 . 1 1 22 22 ILE HA H 21 3.623 3.623 3.925 -0.302 17879 5368 1 9 . 1 1 22 22 ILE C C 21 176.842 176.842 177.367 -0.525 17879 5369 1 9 . 1 1 22 22 ILE CA C 21 65.145 65.145 64.423 0.722 17879 5370 1 9 . 1 1 22 22 ILE CB C 21 38.195 38.195 37.779 0.416 17879 5371 1 9 . 1 1 22 22 ILE H H 21 8.277 8.277 8.561 -0.284 17879 5372 1 9 . 1 1 23 23 ALA N N 22 121.816 121.816 121.156 0.660 17879 5373 1 9 . 1 1 23 23 ALA HA H 22 4.071 4.071 4.236 -0.165 17879 5374 1 9 . 1 1 23 23 ALA C C 22 179.199 179.199 178.299 0.900 17879 5375 1 9 . 1 1 23 23 ALA CA C 22 54.519 54.519 54.301 0.218 17879 5376 1 9 . 1 1 23 23 ALA CB C 22 18.001 18.001 18.441 -0.440 17879 5377 1 9 . 1 1 23 23 ALA H H 22 7.962 7.962 8.011 -0.049 17879 5378 1 9 . 1 1 24 24 ASP N N 23 114.866 114.866 118.475 -3.609 17879 5379 1 9 . 1 1 24 24 ASP HA H 23 4.401 4.401 4.549 -0.148 17879 5380 1 9 . 1 1 24 24 ASP C C 23 177.324 177.324 177.814 -0.490 17879 5381 1 9 . 1 1 24 24 ASP CA C 23 56.248 56.248 55.781 0.467 17879 5382 1 9 . 1 1 24 24 ASP CB C 23 42.193 42.193 41.244 0.949 17879 5383 1 9 . 1 1 24 24 ASP H H 23 7.368 7.368 7.946 -0.578 17879 5384 1 9 . 1 1 25 25 ARG N N 24 116.868 116.868 117.566 -0.698 17879 5385 1 9 . 1 1 25 25 ARG HA H 24 3.922 3.922 3.942 -0.020 17879 5386 1 9 . 1 1 25 25 ARG C C 24 176.266 176.266 175.577 0.689 17879 5387 1 9 . 1 1 25 25 ARG CA C 24 57.158 57.158 57.094 0.064 17879 5388 1 9 . 1 1 25 25 ARG CB C 24 31.477 31.477 31.143 0.334 17879 5389 1 9 . 1 1 25 25 ARG H H 24 7.815 7.815 7.793 0.022 17879 5390 1 9 . 1 1 26 26 PHE N N 25 116.737 116.737 115.127 1.610 17879 5391 1 9 . 1 1 26 26 PHE HA H 25 5.084 5.084 4.900 0.184 17879 5392 1 9 . 1 1 26 26 PHE CA C 25 54.304 54.304 55.504 -1.200 17879 5393 1 9 . 1 1 26 26 PHE CB C 25 39.026 39.026 39.681 -0.654 17879 5394 1 9 . 1 1 26 26 PHE H H 25 8.658 8.658 7.736 0.922 17879 5395 1 9 . 1 1 27 27 PRO HA H 26 4.503 4.503 4.370 0.133 17879 5396 1 9 . 1 1 27 27 PRO C C 26 177.538 177.538 176.848 0.690 17879 5397 1 9 . 1 1 27 27 PRO CA C 26 64.394 64.394 64.595 -0.201 17879 5398 1 9 . 1 1 27 27 PRO CB C 26 31.961 31.961 32.044 -0.083 17879 5399 1 9 . 1 1 28 28 ASN N N 27 114.596 114.596 117.137 -2.541 17879 5400 1 9 . 1 1 28 28 ASN HA H 27 4.725 4.725 4.811 -0.086 17879 5401 1 9 . 1 1 28 28 ASN C C 27 174.678 174.678 174.145 0.533 17879 5402 1 9 . 1 1 28 28 ASN CA C 27 52.868 52.868 52.753 0.115 17879 5403 1 9 . 1 1 28 28 ASN CB C 27 38.331 38.331 37.751 0.580 17879 5404 1 9 . 1 1 28 28 ASN H H 27 8.537 8.537 8.696 -0.159 17879 5405 1 9 . 1 1 29 29 ARG N N 28 116.946 116.946 119.564 -2.618 17879 5406 1 9 . 1 1 29 29 ARG HA H 28 4.769 4.769 4.538 0.231 17879 5407 1 9 . 1 1 29 29 ARG C C 28 174.469 174.469 174.479 -0.010 17879 5408 1 9 . 1 1 29 29 ARG CA C 28 52.948 52.948 54.350 -1.402 17879 5409 1 9 . 1 1 29 29 ARG CB C 28 32.941 32.941 33.612 -0.671 17879 5410 1 9 . 1 1 29 29 ARG H H 28 7.580 7.580 7.297 0.283 17879 5411 1 9 . 1 1 30 30 ILE N N 29 121.854 121.854 120.466 1.388 17879 5412 1 9 . 1 1 30 30 ILE HA H 29 4.098 4.098 4.005 0.093 17879 5413 1 9 . 1 1 30 30 ILE CA C 29 55.558 55.558 57.433 -1.875 17879 5414 1 9 . 1 1 30 30 ILE CB C 29 38.805 38.805 40.018 -1.213 17879 5415 1 9 . 1 1 30 30 ILE H H 29 9.262 9.262 8.721 0.541 17879 5416 1 9 . 1 1 31 31 PRO HA H 30 4.856 4.856 4.794 0.062 17879 5417 1 9 . 1 1 31 31 PRO C C 30 174.121 174.121 176.076 -1.955 17879 5418 1 9 . 1 1 31 31 PRO CA C 30 61.705 61.705 61.978 -0.273 17879 5419 1 9 . 1 1 31 31 PRO CB C 30 30.966 30.966 32.494 -1.528 17879 5420 1 9 . 1 1 32 32 VAL N N 31 127.197 127.197 121.224 5.973 17879 5421 1 9 . 1 1 32 32 VAL HA H 31 4.997 4.997 4.656 0.341 17879 5422 1 9 . 1 1 32 32 VAL C C 31 174.181 174.181 173.100 1.081 17879 5423 1 9 . 1 1 32 32 VAL CA C 31 60.620 60.620 60.409 0.211 17879 5424 1 9 . 1 1 32 32 VAL CB C 31 35.645 35.645 35.717 -0.072 17879 5425 1 9 . 1 1 32 32 VAL H H 31 9.096 9.096 9.080 0.016 17879 5426 1 9 . 1 1 33 33 ILE N N 32 127.157 127.157 127.601 -0.444 17879 5427 1 9 . 1 1 33 33 ILE HA H 32 4.917 4.917 4.490 0.427 17879 5428 1 9 . 1 1 33 33 ILE C C 32 174.991 174.991 174.845 0.146 17879 5429 1 9 . 1 1 33 33 ILE CA C 32 56.589 56.589 57.986 -1.397 17879 5430 1 9 . 1 1 33 33 ILE CB C 32 35.908 35.908 37.166 -1.258 17879 5431 1 9 . 1 1 33 33 ILE H H 32 8.775 8.775 8.244 0.531 17879 5432 1 9 . 1 1 34 34 CYS N N 33 129.280 129.280 127.749 1.531 17879 5433 1 9 . 1 1 34 34 CYS HA H 33 5.559 5.559 4.722 0.837 17879 5434 1 9 . 1 1 34 34 CYS C C 33 173.218 173.218 173.493 -0.275 17879 5435 1 9 . 1 1 34 34 CYS CA C 33 57.121 57.121 58.295 -1.174 17879 5436 1 9 . 1 1 34 34 CYS CB C 33 28.880 28.880 29.708 -0.828 17879 5437 1 9 . 1 1 34 34 CYS H H 33 9.738 9.738 9.361 0.377 17879 5438 1 9 . 1 1 35 35 GLU N N 34 124.130 124.130 125.619 -1.489 17879 5439 1 9 . 1 1 35 35 GLU HA H 34 4.977 4.977 4.808 0.169 17879 5440 1 9 . 1 1 35 35 GLU C C 34 174.190 174.190 174.053 0.137 17879 5441 1 9 . 1 1 35 35 GLU CA C 34 54.308 54.308 54.544 -0.236 17879 5442 1 9 . 1 1 35 35 GLU CB C 34 35.281 35.281 32.821 2.460 17879 5443 1 9 . 1 1 35 35 GLU H H 34 8.531 8.531 8.133 0.398 17879 5444 1 9 . 1 1 36 36 LYS N N 35 123.562 123.562 122.052 1.510 17879 5445 1 9 . 1 1 36 36 LYS HA H 35 3.056 3.056 3.898 -0.842 17879 5446 1 9 . 1 1 36 36 LYS C C 35 177.452 177.452 175.820 1.632 17879 5447 1 9 . 1 1 36 36 LYS CA C 35 56.374 56.374 53.729 2.645 17879 5448 1 9 . 1 1 36 36 LYS CB C 35 32.750 32.750 32.684 0.066 17879 5449 1 9 . 1 1 36 36 LYS H H 35 8.949 8.949 8.623 0.326 17879 5450 1 9 . 1 1 37 37 ALA N N 36 129.494 129.494 128.890 0.604 17879 5451 1 9 . 1 1 37 37 ALA HA H 36 4.163 4.163 4.006 0.157 17879 5452 1 9 . 1 1 37 37 ALA C C 36 178.375 178.375 177.891 0.484 17879 5453 1 9 . 1 1 37 37 ALA CA C 36 52.702 52.702 53.368 -0.666 17879 5454 1 9 . 1 1 37 37 ALA CB C 36 18.673 18.673 19.250 -0.577 17879 5455 1 9 . 1 1 37 37 ALA H H 36 8.561 8.561 7.883 0.678 17879 5456 1 9 . 1 1 38 38 GLU N N 37 125.115 125.115 122.117 2.998 17879 5457 1 9 . 1 1 38 38 GLU HA H 37 3.959 3.959 3.980 -0.021 17879 5458 1 9 . 1 1 38 38 GLU C C 37 177.516 177.516 177.366 0.150 17879 5459 1 9 . 1 1 38 38 GLU CA C 37 59.302 59.302 58.519 0.783 17879 5460 1 9 . 1 1 38 38 GLU CB C 37 30.154 30.154 29.628 0.526 17879 5461 1 9 . 1 1 38 38 GLU H H 37 8.648 8.648 8.809 -0.161 17879 5462 1 9 . 1 1 39 39 LYS N N 38 115.020 115.020 120.064 -5.044 17879 5463 1 9 . 1 1 39 39 LYS HA H 38 4.188 4.188 4.053 0.135 17879 5464 1 9 . 1 1 39 39 LYS C C 38 176.244 176.244 177.025 -0.781 17879 5465 1 9 . 1 1 39 39 LYS CA C 38 56.564 56.564 57.544 -0.980 17879 5466 1 9 . 1 1 39 39 LYS CB C 38 31.484 31.484 32.213 -0.729 17879 5467 1 9 . 1 1 39 39 LYS H H 38 8.494 8.494 8.246 0.248 17879 5468 1 9 . 1 1 40 40 SER N N 39 113.091 113.091 113.830 -0.739 17879 5469 1 9 . 1 1 40 40 SER HA H 39 4.535 4.535 4.234 0.301 17879 5470 1 9 . 1 1 40 40 SER C C 39 174.896 174.896 174.011 0.885 17879 5471 1 9 . 1 1 40 40 SER CA C 39 57.985 57.985 59.136 -1.151 17879 5472 1 9 . 1 1 40 40 SER CB C 39 65.000 65.000 63.645 1.355 17879 5473 1 9 . 1 1 40 40 SER H H 39 7.346 7.346 7.503 -0.157 17879 5474 1 9 . 1 1 41 41 ASP N N 40 127.375 127.375 121.791 5.584 17879 5475 1 9 . 1 1 41 41 ASP HA H 40 4.782 4.782 4.810 -0.028 17879 5476 1 9 . 1 1 41 41 ASP C C 40 175.205 175.205 176.385 -1.180 17879 5477 1 9 . 1 1 41 41 ASP CA C 40 53.549 53.549 53.408 0.141 17879 5478 1 9 . 1 1 41 41 ASP CB C 40 39.916 39.916 41.943 -2.027 17879 5479 1 9 . 1 1 41 41 ASP H H 40 8.744 8.744 8.560 0.184 17879 5480 1 9 . 1 1 42 42 ILE N N 41 122.943 122.943 118.944 3.999 17879 5481 1 9 . 1 1 42 42 ILE HA H 41 4.661 4.661 4.481 0.180 17879 5482 1 9 . 1 1 42 42 ILE CA C 41 59.133 59.133 58.829 0.304 17879 5483 1 9 . 1 1 42 42 ILE CB C 41 40.534 40.534 38.073 2.461 17879 5484 1 9 . 1 1 42 42 ILE H H 41 7.649 7.649 7.280 0.369 17879 5485 1 9 . 1 1 43 43 PRO HA H 42 4.414 4.414 4.616 -0.202 17879 5486 1 9 . 1 1 43 43 PRO C C 42 175.952 175.952 176.671 -0.719 17879 5487 1 9 . 1 1 43 43 PRO CA C 42 63.829 63.829 62.471 1.358 17879 5488 1 9 . 1 1 43 43 PRO CB C 42 32.895 32.895 32.383 0.512 17879 5489 1 9 . 1 1 44 44 GLU N N 43 120.369 120.369 122.948 -2.579 17879 5490 1 9 . 1 1 44 44 GLU HA H 43 4.298 4.298 4.182 0.116 17879 5491 1 9 . 1 1 44 44 GLU C C 43 175.316 175.316 176.289 -0.973 17879 5492 1 9 . 1 1 44 44 GLU CA C 43 56.400 56.400 57.250 -0.850 17879 5493 1 9 . 1 1 44 44 GLU CB C 43 31.282 31.282 30.728 0.554 17879 5494 1 9 . 1 1 44 44 GLU H H 43 8.393 8.393 8.491 -0.098 17879 5495 1 9 . 1 1 45 45 ILE N N 44 123.670 123.670 120.675 2.995 17879 5496 1 9 . 1 1 45 45 ILE HA H 44 4.419 4.419 4.319 0.100 17879 5497 1 9 . 1 1 45 45 ILE C C 44 174.786 174.786 176.315 -1.529 17879 5498 1 9 . 1 1 45 45 ILE CA C 44 61.027 61.027 60.027 1.000 17879 5499 1 9 . 1 1 45 45 ILE CB C 44 40.509 40.509 39.486 1.023 17879 5500 1 9 . 1 1 45 45 ILE H H 44 8.067 8.067 8.164 -0.097 17879 5501 1 9 . 1 1 46 46 ASP N N 45 123.340 123.340 122.446 0.894 17879 5502 1 9 . 1 1 46 46 ASP HA H 45 4.412 4.412 4.484 -0.072 17879 5503 1 9 . 1 1 46 46 ASP C C 45 175.494 175.494 175.548 -0.054 17879 5504 1 9 . 1 1 46 46 ASP CA C 45 55.467 55.467 56.202 -0.735 17879 5505 1 9 . 1 1 46 46 ASP CB C 45 40.320 40.320 41.298 -0.978 17879 5506 1 9 . 1 1 46 46 ASP H H 45 8.468 8.468 8.824 -0.356 17879 5507 1 9 . 1 1 47 47 LYS N N 46 121.295 121.295 113.971 7.324 17879 5508 1 9 . 1 1 47 47 LYS HA H 46 4.428 4.428 4.687 -0.259 17879 5509 1 9 . 1 1 47 47 LYS CA C 46 56.020 56.020 54.260 1.760 17879 5510 1 9 . 1 1 47 47 LYS CB C 46 34.644 34.644 35.059 -0.415 17879 5511 1 9 . 1 1 47 47 LYS H H 46 7.319 7.319 7.739 -0.420 17879 5512 1 9 . 1 1 48 48 ARG N N 47 124.949 124.949 118.477 6.472 17879 5513 1 9 . 1 1 48 48 ARG HA H 47 5.271 5.271 4.727 0.544 17879 5514 1 9 . 1 1 48 48 ARG C C 47 173.546 173.546 174.780 -1.234 17879 5515 1 9 . 1 1 48 48 ARG CA C 47 55.581 55.581 55.239 0.342 17879 5516 1 9 . 1 1 48 48 ARG CB C 47 32.992 32.992 30.828 2.164 17879 5517 1 9 . 1 1 48 48 ARG H H 47 8.558 8.558 8.218 0.340 17879 5518 1 9 . 1 1 49 49 LYS N N 48 122.812 122.812 122.945 -0.133 17879 5519 1 9 . 1 1 49 49 LYS HA H 48 5.030 5.030 4.064 0.966 17879 5520 1 9 . 1 1 49 49 LYS C C 48 174.301 174.301 174.067 0.234 17879 5521 1 9 . 1 1 49 49 LYS CA C 48 55.042 55.042 55.582 -0.540 17879 5522 1 9 . 1 1 49 49 LYS CB C 48 34.065 34.065 34.108 -0.043 17879 5523 1 9 . 1 1 49 49 LYS H H 48 7.440 7.440 8.099 -0.659 17879 5524 1 9 . 1 1 50 50 TYR N N 49 124.842 124.842 124.626 0.216 17879 5525 1 9 . 1 1 50 50 TYR HA H 49 4.721 4.721 4.548 0.173 17879 5526 1 9 . 1 1 50 50 TYR C C 49 173.674 173.674 174.060 -0.386 17879 5527 1 9 . 1 1 50 50 TYR CA C 49 57.192 57.192 57.255 -0.063 17879 5528 1 9 . 1 1 50 50 TYR CB C 49 43.123 43.123 41.983 1.140 17879 5529 1 9 . 1 1 50 50 TYR H H 49 9.590 9.590 9.251 0.339 17879 5530 1 9 . 1 1 51 51 LEU N N 50 124.138 124.138 127.145 -3.007 17879 5531 1 9 . 1 1 51 51 LEU HA H 50 4.753 4.753 4.760 -0.007 17879 5532 1 9 . 1 1 51 51 LEU C C 50 176.050 176.050 175.512 0.538 17879 5533 1 9 . 1 1 51 51 LEU CA C 50 53.158 53.158 53.066 0.092 17879 5534 1 9 . 1 1 51 51 LEU CB C 50 41.155 41.155 41.847 -0.692 17879 5535 1 9 . 1 1 51 51 LEU H H 50 8.901 8.901 8.692 0.209 17879 5536 1 9 . 1 1 52 52 VAL N N 51 123.181 123.181 119.618 3.563 17879 5537 1 9 . 1 1 52 52 VAL HA H 51 3.948 3.948 4.586 -0.638 17879 5538 1 9 . 1 1 52 52 VAL CA C 51 59.724 59.724 59.334 0.390 17879 5539 1 9 . 1 1 52 52 VAL CB C 51 33.605 33.605 31.936 1.669 17879 5540 1 9 . 1 1 52 52 VAL H H 51 8.513 8.513 7.965 0.548 17879 5541 1 9 . 1 1 53 53 PRO HA H 52 4.305 4.305 4.380 -0.075 17879 5542 1 9 . 1 1 53 53 PRO C C 52 176.607 176.607 176.112 0.495 17879 5543 1 9 . 1 1 53 53 PRO CA C 52 63.950 63.950 62.008 1.942 17879 5544 1 9 . 1 1 53 53 PRO CB C 52 32.163 32.163 32.410 -0.247 17879 5545 1 9 . 1 1 54 54 ALA N N 53 123.771 123.771 120.574 3.197 17879 5546 1 9 . 1 1 54 54 ALA HA H 53 3.720 3.720 4.147 -0.427 17879 5547 1 9 . 1 1 54 54 ALA C C 53 176.409 176.409 176.913 -0.504 17879 5548 1 9 . 1 1 54 54 ALA CA C 53 54.742 54.742 52.794 1.948 17879 5549 1 9 . 1 1 54 54 ALA CB C 53 18.948 18.948 19.323 -0.375 17879 5550 1 9 . 1 1 54 54 ALA H H 53 7.926 7.926 8.491 -0.565 17879 5551 1 9 . 1 1 55 55 ASP N N 54 111.152 111.152 117.790 -6.638 17879 5552 1 9 . 1 1 55 55 ASP HA H 54 4.621 4.621 4.595 0.026 17879 5553 1 9 . 1 1 55 55 ASP C C 54 175.823 175.823 176.481 -0.658 17879 5554 1 9 . 1 1 55 55 ASP CA C 54 52.744 52.744 54.603 -1.859 17879 5555 1 9 . 1 1 55 55 ASP CB C 54 39.861 39.861 41.571 -1.710 17879 5556 1 9 . 1 1 55 55 ASP H H 54 8.106 8.106 8.054 0.052 17879 5557 1 9 . 1 1 56 56 LEU N N 55 121.263 121.263 120.961 0.302 17879 5558 1 9 . 1 1 56 56 LEU HA H 55 4.351 4.351 4.254 0.097 17879 5559 1 9 . 1 1 56 56 LEU C C 55 177.459 177.459 176.756 0.703 17879 5560 1 9 . 1 1 56 56 LEU CA C 55 55.472 55.472 55.681 -0.208 17879 5561 1 9 . 1 1 56 56 LEU CB C 55 43.593 43.593 43.487 0.106 17879 5562 1 9 . 1 1 56 56 LEU H H 55 7.295 7.295 7.713 -0.418 17879 5563 1 9 . 1 1 57 57 THR N N 56 114.222 114.222 114.469 -0.247 17879 5564 1 9 . 1 1 57 57 THR HA H 56 5.233 5.233 4.503 0.730 17879 5565 1 9 . 1 1 57 57 THR C C 56 176.538 176.538 175.355 1.183 17879 5566 1 9 . 1 1 57 57 THR CA C 56 60.318 60.318 60.888 -0.570 17879 5567 1 9 . 1 1 57 57 THR CB C 56 71.303 71.303 70.590 0.714 17879 5568 1 9 . 1 1 57 57 THR H H 56 8.476 8.476 8.068 0.408 17879 5569 1 9 . 1 1 58 58 VAL N N 57 122.331 122.331 118.842 3.489 17879 5570 1 9 . 1 1 58 58 VAL HA H 57 3.738 3.738 4.140 -0.402 17879 5571 1 9 . 1 1 58 58 VAL C C 57 178.743 178.743 177.730 1.013 17879 5572 1 9 . 1 1 58 58 VAL CA C 57 66.797 66.797 65.241 1.556 17879 5573 1 9 . 1 1 58 58 VAL CB C 57 31.801 31.801 32.243 -0.442 17879 5574 1 9 . 1 1 58 58 VAL H H 57 8.806 8.806 7.911 0.895 17879 5575 1 9 . 1 1 59 59 GLY N N 58 105.470 105.470 107.403 -1.933 17879 5576 1 9 . 1 1 59 59 GLY C C 58 176.924 176.924 176.140 0.784 17879 5577 1 9 . 1 1 59 59 GLY CA C 58 47.317 47.317 47.014 0.303 17879 5578 1 9 . 1 1 59 59 GLY H H 58 9.381 9.381 7.914 1.467 17879 5579 1 9 . 1 1 60 60 GLN N N 59 121.492 121.492 120.021 1.471 17879 5580 1 9 . 1 1 60 60 GLN HA H 59 4.166 4.166 4.223 -0.057 17879 5581 1 9 . 1 1 60 60 GLN C C 59 178.605 178.605 178.164 0.441 17879 5582 1 9 . 1 1 60 60 GLN CA C 59 58.764 58.764 57.934 0.829 17879 5583 1 9 . 1 1 60 60 GLN CB C 59 29.129 29.129 28.937 0.192 17879 5584 1 9 . 1 1 60 60 GLN H H 59 8.027 8.027 7.750 0.277 17879 5585 1 9 . 1 1 61 61 PHE N N 60 122.595 122.595 121.212 1.383 17879 5586 1 9 . 1 1 61 61 PHE HA H 60 4.291 4.291 4.344 -0.053 17879 5587 1 9 . 1 1 61 61 PHE C C 60 176.690 176.690 176.568 0.122 17879 5588 1 9 . 1 1 61 61 PHE CA C 60 61.502 61.502 59.981 1.521 17879 5589 1 9 . 1 1 61 61 PHE CB C 60 39.155 39.155 39.242 -0.087 17879 5590 1 9 . 1 1 61 61 PHE H H 60 8.522 8.522 7.513 1.009 17879 5591 1 9 . 1 1 62 62 VAL N N 61 118.720 118.720 119.287 -0.567 17879 5592 1 9 . 1 1 62 62 VAL HA H 61 3.070 3.070 3.168 -0.098 17879 5593 1 9 . 1 1 62 62 VAL C C 61 176.872 176.872 177.210 -0.338 17879 5594 1 9 . 1 1 62 62 VAL CA C 61 67.040 67.040 66.339 0.701 17879 5595 1 9 . 1 1 62 62 VAL CB C 61 31.119 31.119 31.277 -0.158 17879 5596 1 9 . 1 1 62 62 VAL H H 61 8.705 8.705 8.478 0.227 17879 5597 1 9 . 1 1 63 63 TYR N N 62 118.462 118.462 119.255 -0.793 17879 5598 1 9 . 1 1 63 63 TYR HA H 62 3.987 3.987 4.069 -0.082 17879 5599 1 9 . 1 1 63 63 TYR C C 62 177.325 177.325 175.914 1.411 17879 5600 1 9 . 1 1 63 63 TYR CA C 62 61.685 61.685 61.003 0.682 17879 5601 1 9 . 1 1 63 63 TYR CB C 62 37.906 37.906 37.985 -0.079 17879 5602 1 9 . 1 1 63 63 TYR H H 62 7.373 7.373 7.585 -0.212 17879 5603 1 9 . 1 1 64 64 VAL N N 63 119.137 119.137 116.706 2.431 17879 5604 1 9 . 1 1 64 64 VAL HA H 63 3.342 3.342 3.128 0.214 17879 5605 1 9 . 1 1 64 64 VAL C C 63 178.326 178.326 177.670 0.656 17879 5606 1 9 . 1 1 64 64 VAL CA C 63 66.615 66.615 64.827 1.788 17879 5607 1 9 . 1 1 64 64 VAL CB C 63 31.157 31.157 31.985 -0.828 17879 5608 1 9 . 1 1 64 64 VAL H H 63 7.376 7.376 7.270 0.106 17879 5609 1 9 . 1 1 65 65 ILE N N 64 118.858 118.858 118.884 -0.026 17879 5610 1 9 . 1 1 65 65 ILE HA H 64 3.279 3.279 3.497 -0.218 17879 5611 1 9 . 1 1 65 65 ILE C C 64 177.653 177.653 178.283 -0.630 17879 5612 1 9 . 1 1 65 65 ILE CA C 64 63.682 63.682 62.150 1.532 17879 5613 1 9 . 1 1 65 65 ILE CB C 64 36.150 36.150 35.671 0.479 17879 5614 1 9 . 1 1 65 65 ILE H H 64 7.366 7.366 7.455 -0.089 17879 5615 1 9 . 1 1 66 66 ARG N N 65 118.729 118.729 118.280 0.449 17879 5616 1 9 . 1 1 66 66 ARG HA H 65 3.397 3.397 4.022 -0.625 17879 5617 1 9 . 1 1 66 66 ARG C C 65 178.284 178.284 177.813 0.471 17879 5618 1 9 . 1 1 66 66 ARG CA C 65 60.078 60.078 57.727 2.351 17879 5619 1 9 . 1 1 66 66 ARG CB C 65 30.022 30.022 29.963 0.059 17879 5620 1 9 . 1 1 66 66 ARG H H 65 8.463 8.463 8.171 0.292 17879 5621 1 9 . 1 1 67 67 LYS N N 66 116.643 116.643 119.032 -2.389 17879 5622 1 9 . 1 1 67 67 LYS HA H 66 3.951 3.951 4.147 -0.196 17879 5623 1 9 . 1 1 67 67 LYS C C 66 178.989 178.989 178.761 0.228 17879 5624 1 9 . 1 1 67 67 LYS CA C 66 58.347 58.347 58.126 0.221 17879 5625 1 9 . 1 1 67 67 LYS CB C 66 31.938 31.938 32.462 -0.524 17879 5626 1 9 . 1 1 67 67 LYS H H 66 7.536 7.536 7.963 -0.427 17879 5627 1 9 . 1 1 68 68 ARG N N 67 119.051 119.051 119.699 -0.648 17879 5628 1 9 . 1 1 68 68 ARG HA H 67 4.104 4.104 4.059 0.045 17879 5629 1 9 . 1 1 68 68 ARG C C 67 178.122 178.122 177.933 0.189 17879 5630 1 9 . 1 1 68 68 ARG CA C 67 58.182 58.182 58.844 -0.662 17879 5631 1 9 . 1 1 68 68 ARG CB C 67 30.273 30.273 30.519 -0.246 17879 5632 1 9 . 1 1 68 68 ARG H H 67 7.783 7.783 8.142 -0.359 17879 5633 1 9 . 1 1 69 69 ILE N N 68 112.456 112.456 112.185 0.271 17879 5634 1 9 . 1 1 69 69 ILE HA H 68 4.223 4.223 4.367 -0.144 17879 5635 1 9 . 1 1 69 69 ILE C C 68 174.568 174.568 174.996 -0.428 17879 5636 1 9 . 1 1 69 69 ILE CA C 68 61.502 61.502 60.194 1.308 17879 5637 1 9 . 1 1 69 69 ILE CB C 68 38.643 38.643 38.110 0.533 17879 5638 1 9 . 1 1 69 69 ILE H H 68 7.675 7.675 7.166 0.509 17879 5639 1 9 . 1 1 70 70 MET N N 69 118.509 118.509 114.635 3.874 17879 5640 1 9 . 1 1 70 70 MET HA H 69 3.982 3.982 4.014 -0.032 17879 5641 1 9 . 1 1 70 70 MET C C 69 175.482 175.482 175.079 0.403 17879 5642 1 9 . 1 1 70 70 MET CA C 69 55.811 55.811 56.011 -0.200 17879 5643 1 9 . 1 1 70 70 MET CB C 69 29.392 29.392 29.877 -0.485 17879 5644 1 9 . 1 1 70 70 MET H H 69 7.805 7.805 7.211 0.594 17879 5645 1 9 . 1 1 71 71 LEU N N 70 121.952 121.952 121.606 0.346 17879 5646 1 9 . 1 1 71 71 LEU HA H 70 4.603 4.603 4.270 0.333 17879 5647 1 9 . 1 1 71 71 LEU CA C 70 52.560 52.560 54.271 -1.711 17879 5648 1 9 . 1 1 71 71 LEU CB C 70 44.045 44.045 41.932 2.113 17879 5649 1 9 . 1 1 71 71 LEU H H 70 7.493 7.493 7.530 -0.037 17879 5650 1 9 . 1 1 72 72 PRO HA H 71 4.678 4.678 4.791 -0.113 17879 5651 1 9 . 1 1 72 72 PRO CA C 71 62.124 62.124 61.170 0.954 17879 5652 1 9 . 1 1 72 72 PRO CB C 71 31.307 31.307 31.186 0.121 17879 5653 1 9 . 1 1 73 73 PRO HA H 72 4.123 4.123 4.380 -0.257 17879 5654 1 9 . 1 1 73 73 PRO C C 72 177.052 177.052 176.703 0.349 17879 5655 1 9 . 1 1 73 73 PRO CA C 72 64.924 64.924 64.412 0.512 17879 5656 1 9 . 1 1 73 73 PRO CB C 72 32.049 32.049 32.056 -0.007 17879 5657 1 9 . 1 1 74 74 GLU N N 73 115.091 115.091 115.945 -0.854 17879 5658 1 9 . 1 1 74 74 GLU HA H 73 4.181 4.181 4.331 -0.150 17879 5659 1 9 . 1 1 74 74 GLU C C 73 176.459 176.459 176.779 -0.320 17879 5660 1 9 . 1 1 74 74 GLU CA C 73 57.774 57.774 56.361 1.413 17879 5661 1 9 . 1 1 74 74 GLU CB C 73 28.321 28.321 29.381 -1.060 17879 5662 1 9 . 1 1 74 74 GLU H H 73 9.065 9.065 8.579 0.486 17879 5663 1 9 . 1 1 75 75 LYS N N 74 121.755 121.755 119.693 2.062 17879 5664 1 9 . 1 1 75 75 LYS HA H 74 4.520 4.520 4.499 0.021 17879 5665 1 9 . 1 1 75 75 LYS C C 74 174.789 174.789 174.588 0.201 17879 5666 1 9 . 1 1 75 75 LYS CA C 74 54.789 54.789 55.220 -0.431 17879 5667 1 9 . 1 1 75 75 LYS CB C 74 32.882 32.882 35.060 -2.178 17879 5668 1 9 . 1 1 75 75 LYS H H 74 7.797 7.797 7.497 0.300 17879 5669 1 9 . 1 1 76 76 ALA N N 75 127.848 127.848 120.084 7.764 17879 5670 1 9 . 1 1 76 76 ALA HA H 75 4.072 4.072 4.509 -0.437 17879 5671 1 9 . 1 1 76 76 ALA C C 75 175.710 175.710 174.997 0.713 17879 5672 1 9 . 1 1 76 76 ALA CA C 75 52.226 52.226 51.171 1.055 17879 5673 1 9 . 1 1 76 76 ALA CB C 75 20.956 20.956 21.523 -0.567 17879 5674 1 9 . 1 1 76 76 ALA H H 75 8.410 8.410 8.279 0.131 17879 5675 1 9 . 1 1 77 77 ILE N N 76 114.298 114.298 119.199 -4.901 17879 5676 1 9 . 1 1 77 77 ILE HA H 76 4.593 4.593 4.987 -0.394 17879 5677 1 9 . 1 1 77 77 ILE C C 76 172.379 172.379 173.422 -1.043 17879 5678 1 9 . 1 1 77 77 ILE CA C 76 59.699 59.699 61.000 -1.301 17879 5679 1 9 . 1 1 77 77 ILE CB C 76 41.218 41.218 41.224 -0.006 17879 5680 1 9 . 1 1 77 77 ILE H H 76 7.193 7.193 7.713 -0.520 17879 5681 1 9 . 1 1 78 78 PHE N N 77 124.094 124.094 125.616 -1.522 17879 5682 1 9 . 1 1 78 78 PHE HA H 77 4.556 4.556 4.889 -0.333 17879 5683 1 9 . 1 1 78 78 PHE C C 77 174.359 174.359 174.627 -0.268 17879 5684 1 9 . 1 1 78 78 PHE CA C 77 56.596 56.596 56.217 0.379 17879 5685 1 9 . 1 1 78 78 PHE CB C 77 42.370 42.370 42.677 -0.307 17879 5686 1 9 . 1 1 78 78 PHE H H 77 8.931 8.931 9.233 -0.302 17879 5687 1 9 . 1 1 79 79 ILE N N 78 117.724 117.724 122.181 -4.457 17879 5688 1 9 . 1 1 79 79 ILE HA H 78 5.233 5.233 4.421 0.812 17879 5689 1 9 . 1 1 79 79 ILE C C 78 173.334 173.334 174.713 -1.379 17879 5690 1 9 . 1 1 79 79 ILE CA C 78 58.130 58.130 60.329 -2.199 17879 5691 1 9 . 1 1 79 79 ILE CB C 78 39.360 39.360 37.663 1.697 17879 5692 1 9 . 1 1 79 79 ILE H H 78 8.025 8.025 8.846 -0.821 17879 5693 1 9 . 1 1 80 80 PHE N N 79 121.084 121.084 126.991 -5.907 17879 5694 1 9 . 1 1 80 80 PHE HA H 79 5.365 5.365 4.761 0.604 17879 5695 1 9 . 1 1 80 80 PHE C C 79 176.270 176.270 173.734 2.536 17879 5696 1 9 . 1 1 80 80 PHE CA C 79 55.948 55.948 57.113 -1.165 17879 5697 1 9 . 1 1 80 80 PHE CB C 79 42.763 42.763 41.965 0.798 17879 5698 1 9 . 1 1 80 80 PHE H H 79 9.210 9.210 9.133 0.077 17879 5699 1 9 . 1 1 81 81 VAL N N 80 117.974 117.974 123.688 -5.714 17879 5700 1 9 . 1 1 81 81 VAL HA H 80 4.520 4.520 4.478 0.042 17879 5701 1 9 . 1 1 81 81 VAL C C 80 175.699 175.699 174.921 0.778 17879 5702 1 9 . 1 1 81 81 VAL CA C 80 60.484 60.484 60.924 -0.440 17879 5703 1 9 . 1 1 81 81 VAL CB C 80 34.263 34.263 33.449 0.814 17879 5704 1 9 . 1 1 81 81 VAL H H 80 8.832 8.832 8.168 0.664 17879 5705 1 9 . 1 1 82 82 ASN N N 81 127.615 127.615 127.066 0.549 17879 5706 1 9 . 1 1 82 82 ASN HA H 81 4.339 4.339 4.390 -0.051 17879 5707 1 9 . 1 1 82 82 ASN C C 81 174.036 174.036 174.660 -0.624 17879 5708 1 9 . 1 1 82 82 ASN CA C 81 55.231 55.231 54.318 0.913 17879 5709 1 9 . 1 1 82 82 ASN CB C 81 37.408 37.408 36.877 0.531 17879 5710 1 9 . 1 1 82 82 ASN H H 81 9.689 9.689 9.291 0.398 17879 5711 1 9 . 1 1 83 83 ASP N N 82 112.699 112.699 114.425 -1.726 17879 5712 1 9 . 1 1 83 83 ASP HA H 82 4.135 4.135 4.289 -0.154 17879 5713 1 9 . 1 1 83 83 ASP C C 82 174.560 174.560 174.916 -0.356 17879 5714 1 9 . 1 1 83 83 ASP CA C 82 55.638 55.638 55.912 -0.274 17879 5715 1 9 . 1 1 83 83 ASP CB C 82 39.564 39.564 40.478 -0.914 17879 5716 1 9 . 1 1 83 83 ASP H H 82 8.772 8.772 8.704 0.068 17879 5717 1 9 . 1 1 84 84 THR N N 83 112.567 112.567 115.285 -2.718 17879 5718 1 9 . 1 1 84 84 THR HA H 83 4.715 4.715 4.638 0.077 17879 5719 1 9 . 1 1 84 84 THR C C 83 172.200 172.200 173.612 -1.412 17879 5720 1 9 . 1 1 84 84 THR CA C 83 60.868 60.868 61.466 -0.598 17879 5721 1 9 . 1 1 84 84 THR CB C 83 72.206 72.206 70.280 1.926 17879 5722 1 9 . 1 1 84 84 THR H H 83 8.080 8.080 7.612 0.468 17879 5723 1 9 . 1 1 85 85 LEU N N 84 125.810 125.810 130.808 -4.998 17879 5724 1 9 . 1 1 85 85 LEU HA H 84 5.127 5.127 4.643 0.484 17879 5725 1 9 . 1 1 85 85 LEU CA C 84 51.927 51.927 52.993 -1.066 17879 5726 1 9 . 1 1 85 85 LEU CB C 84 42.779 42.779 42.157 0.621 17879 5727 1 9 . 1 1 85 85 LEU H H 84 8.520 8.520 8.717 -0.197 17879 5728 1 9 . 1 1 86 86 PRO HA H 85 4.835 4.835 4.745 0.090 17879 5729 1 9 . 1 1 86 86 PRO CA C 85 60.910 60.910 61.190 -0.280 17879 5730 1 9 . 1 1 86 86 PRO CB C 85 30.852 30.852 31.378 -0.526 17879 5731 1 9 . 1 1 87 87 PRO HA H 86 4.577 4.577 4.552 0.025 17879 5732 1 9 . 1 1 87 87 PRO C C 86 177.830 177.830 177.320 0.510 17879 5733 1 9 . 1 1 87 87 PRO CA C 86 62.424 62.424 62.313 0.111 17879 5734 1 9 . 1 1 87 87 PRO CB C 86 31.910 31.910 32.157 -0.247 17879 5735 1 9 . 1 1 88 88 THR N N 87 114.642 114.642 109.885 4.757 17879 5736 1 9 . 1 1 88 88 THR HA H 87 3.802 3.802 4.172 -0.370 17879 5737 1 9 . 1 1 88 88 THR C C 87 175.702 175.702 175.741 -0.039 17879 5738 1 9 . 1 1 88 88 THR CA C 87 65.079 65.079 64.765 0.314 17879 5739 1 9 . 1 1 88 88 THR CB C 87 68.818 68.818 68.639 0.179 17879 5740 1 9 . 1 1 88 88 THR H H 87 8.291 8.291 8.186 0.105 17879 5741 1 9 . 1 1 89 89 ALA N N 88 119.706 119.706 122.463 -2.757 17879 5742 1 9 . 1 1 89 89 ALA HA H 88 4.420 4.420 4.350 0.070 17879 5743 1 9 . 1 1 89 89 ALA C C 88 177.690 177.690 177.819 -0.129 17879 5744 1 9 . 1 1 89 89 ALA CA C 88 52.118 52.118 51.890 0.228 17879 5745 1 9 . 1 1 89 89 ALA CB C 88 19.334 19.334 17.663 1.671 17879 5746 1 9 . 1 1 89 89 ALA H H 88 8.031 8.031 8.223 -0.192 17879 5747 1 9 . 1 1 90 90 ALA N N 89 120.388 120.388 123.073 -2.685 17879 5748 1 9 . 1 1 90 90 ALA HA H 89 4.179 4.179 4.303 -0.124 17879 5749 1 9 . 1 1 90 90 ALA C C 89 176.520 176.520 176.498 0.022 17879 5750 1 9 . 1 1 90 90 ALA CA C 89 52.454 52.454 51.184 1.270 17879 5751 1 9 . 1 1 90 90 ALA CB C 89 19.301 19.301 17.491 1.810 17879 5752 1 9 . 1 1 90 90 ALA H H 89 7.465 7.465 7.303 0.162 17879 5753 1 9 . 1 1 91 91 LEU N N 90 119.307 119.307 122.514 -3.207 17879 5754 1 9 . 1 1 91 91 LEU HA H 90 4.490 4.490 3.959 0.531 17879 5755 1 9 . 1 1 91 91 LEU C C 90 179.555 179.555 178.199 1.356 17879 5756 1 9 . 1 1 91 91 LEU CA C 90 54.578 54.578 56.018 -1.440 17879 5757 1 9 . 1 1 91 91 LEU CB C 90 42.689 42.689 41.436 1.253 17879 5758 1 9 . 1 1 91 91 LEU H H 90 8.458 8.458 8.472 -0.014 17879 5759 1 9 . 1 1 92 92 MET N N 91 121.586 121.586 125.138 -3.552 17879 5760 1 9 . 1 1 92 92 MET HA H 91 4.231 4.231 3.890 0.341 17879 5761 1 9 . 1 1 92 92 MET C C 91 178.860 178.860 178.655 0.205 17879 5762 1 9 . 1 1 92 92 MET CA C 91 56.938 56.938 59.402 -2.464 17879 5763 1 9 . 1 1 92 92 MET CB C 91 29.372 29.372 31.445 -2.073 17879 5764 1 9 . 1 1 92 92 MET H H 91 9.203 9.203 8.522 0.681 17879 5765 1 9 . 1 1 93 93 SER N N 92 112.826 112.826 114.763 -1.937 17879 5766 1 9 . 1 1 93 93 SER HA H 92 3.978 3.978 4.089 -0.111 17879 5767 1 9 . 1 1 93 93 SER C C 92 176.318 176.318 176.004 0.314 17879 5768 1 9 . 1 1 93 93 SER CA C 92 60.871 60.871 61.049 -0.178 17879 5769 1 9 . 1 1 93 93 SER CB C 92 61.575 61.575 63.060 -1.485 17879 5770 1 9 . 1 1 93 93 SER H H 92 8.717 8.717 8.351 0.366 17879 5771 1 9 . 1 1 94 94 ALA N N 93 126.735 126.735 123.338 3.397 17879 5772 1 9 . 1 1 94 94 ALA HA H 93 4.357 4.357 4.162 0.195 17879 5773 1 9 . 1 1 94 94 ALA C C 93 180.789 180.789 179.717 1.072 17879 5774 1 9 . 1 1 94 94 ALA CA C 93 54.841 54.841 54.577 0.264 17879 5775 1 9 . 1 1 94 94 ALA CB C 93 18.603 18.603 18.654 -0.051 17879 5776 1 9 . 1 1 94 94 ALA H H 93 7.058 7.058 8.078 -1.020 17879 5777 1 9 . 1 1 95 95 ILE N N 94 118.720 118.720 118.523 0.197 17879 5778 1 9 . 1 1 95 95 ILE HA H 94 4.063 4.063 3.604 0.459 17879 5779 1 9 . 1 1 95 95 ILE C C 94 178.326 178.326 177.607 0.719 17879 5780 1 9 . 1 1 95 95 ILE CA C 94 62.755 62.755 64.105 -1.350 17879 5781 1 9 . 1 1 95 95 ILE CB C 94 36.410 36.410 37.354 -0.944 17879 5782 1 9 . 1 1 95 95 ILE H H 94 7.872 7.872 8.131 -0.259 17879 5783 1 9 . 1 1 96 96 TYR N N 95 120.697 120.697 117.871 2.826 17879 5784 1 9 . 1 1 96 96 TYR HA H 95 4.007 4.007 4.242 -0.235 17879 5785 1 9 . 1 1 96 96 TYR C C 95 176.022 176.022 175.729 0.293 17879 5786 1 9 . 1 1 96 96 TYR CA C 95 62.187 62.187 59.903 2.284 17879 5787 1 9 . 1 1 96 96 TYR CB C 95 39.093 39.093 38.576 0.517 17879 5788 1 9 . 1 1 96 96 TYR H H 95 8.841 8.841 8.475 0.366 17879 5789 1 9 . 1 1 97 97 GLN N N 96 114.982 114.982 117.431 -2.449 17879 5790 1 9 . 1 1 97 97 GLN HA H 96 3.778 3.778 4.373 -0.595 17879 5791 1 9 . 1 1 97 97 GLN C C 96 177.250 177.250 176.126 1.124 17879 5792 1 9 . 1 1 97 97 GLN CA C 96 58.719 58.719 56.457 2.262 17879 5793 1 9 . 1 1 97 97 GLN CB C 96 28.286 28.286 29.253 -0.967 17879 5794 1 9 . 1 1 97 97 GLN H H 96 7.757 7.757 7.564 0.193 17879 5795 1 9 . 1 1 98 98 GLU N N 97 114.340 114.340 117.611 -3.271 17879 5796 1 9 . 1 1 98 98 GLU HA H 97 4.099 4.099 4.334 -0.235 17879 5797 1 9 . 1 1 98 98 GLU C C 97 178.140 178.140 176.952 1.188 17879 5798 1 9 . 1 1 98 98 GLU CA C 97 57.886 57.886 56.644 1.242 17879 5799 1 9 . 1 1 98 98 GLU CB C 97 31.589 31.589 31.363 0.226 17879 5800 1 9 . 1 1 98 98 GLU H H 97 7.117 7.117 7.802 -0.685 17879 5801 1 9 . 1 1 99 99 HIS N N 98 113.377 113.377 117.129 -3.752 17879 5802 1 9 . 1 1 99 99 HIS HA H 98 4.829 4.829 4.817 0.012 17879 5803 1 9 . 1 1 99 99 HIS C C 98 175.856 175.856 174.197 1.659 17879 5804 1 9 . 1 1 99 99 HIS CA C 98 56.738 56.738 54.237 2.501 17879 5805 1 9 . 1 1 99 99 HIS CB C 98 32.930 32.930 30.549 2.381 17879 5806 1 9 . 1 1 99 99 HIS H H 98 8.247 8.247 8.002 0.245 17879 5807 1 9 . 1 1 100 100 LYS N N 99 120.905 120.905 118.926 1.979 17879 5808 1 9 . 1 1 100 100 LYS HA H 99 3.994 3.994 3.894 0.100 17879 5809 1 9 . 1 1 100 100 LYS C C 99 174.832 174.832 175.765 -0.933 17879 5810 1 9 . 1 1 100 100 LYS CA C 99 57.693 57.693 56.450 1.243 17879 5811 1 9 . 1 1 100 100 LYS CB C 99 31.703 31.703 32.538 -0.835 17879 5812 1 9 . 1 1 100 100 LYS H H 99 8.065 8.065 7.589 0.476 17879 5813 1 9 . 1 1 101 101 ASP N N 100 124.188 124.188 120.150 4.038 17879 5814 1 9 . 1 1 101 101 ASP HA H 100 4.765 4.765 4.899 -0.134 17879 5815 1 9 . 1 1 101 101 ASP C C 100 177.692 177.692 176.315 1.377 17879 5816 1 9 . 1 1 101 101 ASP CA C 100 54.030 54.030 51.623 2.407 17879 5817 1 9 . 1 1 101 101 ASP CB C 100 43.429 43.429 43.550 -0.121 17879 5818 1 9 . 1 1 101 101 ASP H H 100 9.027 9.027 8.043 0.984 17879 5819 1 9 . 1 1 102 102 LYS N N 101 125.898 125.898 120.013 5.885 17879 5820 1 9 . 1 1 102 102 LYS HA H 101 4.239 4.239 4.160 0.079 17879 5821 1 9 . 1 1 102 102 LYS C C 101 178.053 178.053 177.334 0.719 17879 5822 1 9 . 1 1 102 102 LYS CA C 101 59.482 59.482 59.385 0.097 17879 5823 1 9 . 1 1 102 102 LYS CB C 101 32.821 32.821 32.649 0.172 17879 5824 1 9 . 1 1 102 102 LYS H H 101 8.678 8.678 8.832 -0.154 17879 5825 1 9 . 1 1 103 103 ASP N N 102 119.326 119.326 114.527 4.799 17879 5826 1 9 . 1 1 103 103 ASP HA H 102 4.127 4.127 4.398 -0.271 17879 5827 1 9 . 1 1 103 103 ASP C C 102 176.833 176.833 177.228 -0.395 17879 5828 1 9 . 1 1 103 103 ASP CA C 102 54.666 54.666 54.750 -0.084 17879 5829 1 9 . 1 1 103 103 ASP CB C 102 39.848 39.848 40.535 -0.687 17879 5830 1 9 . 1 1 103 103 ASP H H 102 10.276 10.276 8.570 1.706 17879 5831 1 9 . 1 1 104 104 GLY N N 103 106.059 106.059 107.482 -1.423 17879 5832 1 9 . 1 1 104 104 GLY C C 103 174.655 174.655 174.870 -0.215 17879 5833 1 9 . 1 1 104 104 GLY CA C 103 45.319 45.319 45.213 0.106 17879 5834 1 9 . 1 1 104 104 GLY H H 103 8.173 8.173 7.765 0.408 17879 5835 1 9 . 1 1 105 105 PHE N N 104 121.781 121.781 122.922 -1.141 17879 5836 1 9 . 1 1 105 105 PHE HA H 104 4.682 4.682 4.413 0.269 17879 5837 1 9 . 1 1 105 105 PHE C C 104 174.830 174.830 175.670 -0.840 17879 5838 1 9 . 1 1 105 105 PHE CA C 104 59.377 59.377 59.162 0.215 17879 5839 1 9 . 1 1 105 105 PHE CB C 104 39.938 39.938 39.099 0.839 17879 5840 1 9 . 1 1 105 105 PHE H H 104 9.600 9.600 7.813 1.787 17879 5841 1 9 . 1 1 106 106 LEU N N 105 119.929 119.929 122.594 -2.665 17879 5842 1 9 . 1 1 106 106 LEU HA H 105 4.897 4.897 4.478 0.419 17879 5843 1 9 . 1 1 106 106 LEU C C 105 173.947 173.947 175.945 -1.998 17879 5844 1 9 . 1 1 106 106 LEU CA C 105 53.463 53.463 54.160 -0.697 17879 5845 1 9 . 1 1 106 106 LEU CB C 105 45.066 45.066 44.272 0.794 17879 5846 1 9 . 1 1 106 106 LEU H H 105 8.376 8.376 8.107 0.269 17879 5847 1 9 . 1 1 107 107 TYR N N 106 127.637 127.637 118.762 8.875 17879 5848 1 9 . 1 1 107 107 TYR HA H 106 4.992 4.992 5.198 -0.206 17879 5849 1 9 . 1 1 107 107 TYR C C 106 176.099 176.099 174.992 1.107 17879 5850 1 9 . 1 1 107 107 TYR CA C 106 58.893 58.893 57.474 1.419 17879 5851 1 9 . 1 1 107 107 TYR CB C 106 38.140 38.140 41.699 -3.559 17879 5852 1 9 . 1 1 107 107 TYR H H 106 9.124 9.124 8.655 0.469 17879 5853 1 9 . 1 1 108 108 VAL N N 107 121.630 121.630 117.795 3.835 17879 5854 1 9 . 1 1 108 108 VAL HA H 107 5.135 5.135 5.176 -0.041 17879 5855 1 9 . 1 1 108 108 VAL C C 107 175.722 175.722 174.201 1.521 17879 5856 1 9 . 1 1 108 108 VAL CA C 107 59.587 59.587 59.351 0.236 17879 5857 1 9 . 1 1 108 108 VAL CB C 107 34.787 34.787 35.791 -1.004 17879 5858 1 9 . 1 1 108 108 VAL H H 107 9.560 9.560 9.210 0.350 17879 5859 1 9 . 1 1 109 109 THR N N 108 119.845 119.845 114.938 4.907 17879 5860 1 9 . 1 1 109 109 THR HA H 108 6.155 6.155 5.106 1.049 17879 5861 1 9 . 1 1 109 109 THR C C 108 174.158 174.158 173.720 0.438 17879 5862 1 9 . 1 1 109 109 THR CA C 108 59.869 59.869 62.395 -2.526 17879 5863 1 9 . 1 1 109 109 THR CB C 108 72.268 72.268 70.317 1.951 17879 5864 1 9 . 1 1 109 109 THR H H 108 9.061 9.061 8.162 0.899 17879 5865 1 9 . 1 1 110 110 TYR N N 109 119.706 119.706 126.952 -7.246 17879 5866 1 9 . 1 1 110 110 TYR HA H 109 6.332 6.332 5.678 0.654 17879 5867 1 9 . 1 1 110 110 TYR C C 109 173.366 173.366 173.747 -0.381 17879 5868 1 9 . 1 1 110 110 TYR CA C 109 54.655 54.655 55.117 -0.462 17879 5869 1 9 . 1 1 110 110 TYR CB C 109 42.250 42.250 39.319 2.931 17879 5870 1 9 . 1 1 110 110 TYR H H 109 8.461 8.461 9.391 -0.930 17879 5871 1 9 . 1 1 111 111 SER N N 110 112.907 112.907 119.628 -6.721 17879 5872 1 9 . 1 1 111 111 SER HA H 110 4.745 4.745 4.984 -0.239 17879 5873 1 9 . 1 1 111 111 SER C C 110 173.692 173.692 174.859 -1.167 17879 5874 1 9 . 1 1 111 111 SER CA C 110 56.044 56.044 55.167 0.877 17879 5875 1 9 . 1 1 111 111 SER CB C 110 66.177 66.177 65.838 0.339 17879 5876 1 9 . 1 1 111 111 SER H H 110 9.089 9.089 8.883 0.206 17879 5877 1 9 . 1 1 112 112 GLY N N 111 111.054 111.054 109.270 1.784 17879 5878 1 9 . 1 1 112 112 GLY C C 111 173.331 173.331 173.784 -0.453 17879 5879 1 9 . 1 1 112 112 GLY CA C 111 45.341 45.341 45.335 0.006 17879 5880 1 9 . 1 1 112 112 GLY H H 111 8.443 8.443 8.550 -0.107 17879 5881 1 9 . 1 1 113 113 GLU N N 112 118.801 118.801 117.864 0.937 17879 5882 1 9 . 1 1 113 113 GLU HA H 112 4.660 4.660 4.605 0.055 17879 5883 1 9 . 1 1 113 113 GLU C C 112 174.538 174.538 174.395 0.143 17879 5884 1 9 . 1 1 113 113 GLU CA C 112 55.642 55.642 54.745 0.897 17879 5885 1 9 . 1 1 113 113 GLU CB C 112 32.930 32.930 31.691 1.239 17879 5886 1 9 . 1 1 113 113 GLU H H 112 8.413 8.413 7.315 1.098 17879 5887 1 9 . 1 1 114 114 ASN N N 113 118.152 118.152 117.523 0.629 17879 5888 1 9 . 1 1 114 114 ASN HA H 113 4.187 4.187 5.036 -0.849 17879 5889 1 9 . 1 1 114 114 ASN C C 113 175.011 175.011 174.720 0.291 17879 5890 1 9 . 1 1 114 114 ASN CA C 113 51.910 51.910 51.398 0.512 17879 5891 1 9 . 1 1 114 114 ASN CB C 113 36.865 36.865 38.322 -1.457 17879 5892 1 9 . 1 1 114 114 ASN H H 113 8.207 8.207 8.686 -0.479 17879 5893 1 9 . 1 1 115 115 THR N N 114 112.887 112.887 116.304 -3.417 17879 5894 1 9 . 1 1 115 115 THR HA H 114 4.190 4.190 4.572 -0.382 17879 5895 1 9 . 1 1 115 115 THR C C 114 173.575 173.575 173.594 -0.019 17879 5896 1 9 . 1 1 115 115 THR CA C 114 61.149 61.149 61.529 -0.380 17879 5897 1 9 . 1 1 115 115 THR CB C 114 69.859 69.859 69.436 0.423 17879 5898 1 9 . 1 1 115 115 THR H H 114 7.411 7.411 8.265 -0.854 17879 5899 1 9 . 1 1 116 116 PHE N N 115 121.474 121.474 117.420 4.054 17879 5900 1 9 . 1 1 116 116 PHE HA H 115 4.451 4.451 4.805 -0.354 17879 5901 1 9 . 1 1 116 116 PHE C C 115 175.078 175.078 175.017 0.061 17879 5902 1 9 . 1 1 116 116 PHE CA C 115 57.681 57.681 55.722 1.959 17879 5903 1 9 . 1 1 116 116 PHE CB C 115 39.569 39.569 38.965 0.604 17879 5904 1 9 . 1 1 116 116 PHE H H 115 8.021 8.021 7.631 0.390 17879 5905 1 10 . 1 1 2 2 MET N N 1 122.410 122.410 119.608 2.802 17879 5906 1 10 . 1 1 2 2 MET HA H 1 4.455 4.455 5.003 -0.548 17879 5907 1 10 . 1 1 2 2 MET C C 1 175.655 175.655 174.412 1.243 17879 5908 1 10 . 1 1 2 2 MET CA C 1 55.438 55.438 54.411 1.027 17879 5909 1 10 . 1 1 2 2 MET CB C 1 33.126 33.126 36.891 -3.765 17879 5910 1 10 . 1 1 2 2 MET H H 1 8.425 8.425 8.877 -0.452 17879 5911 1 10 . 1 1 3 3 LYS N N 2 123.656 123.656 118.563 5.093 17879 5912 1 10 . 1 1 3 3 LYS HA H 2 4.326 4.326 4.951 -0.625 17879 5913 1 10 . 1 1 3 3 LYS C C 2 176.266 176.266 176.224 0.042 17879 5914 1 10 . 1 1 3 3 LYS CA C 2 56.348 56.348 55.847 0.501 17879 5915 1 10 . 1 1 3 3 LYS CB C 2 33.219 33.219 33.703 -0.484 17879 5916 1 10 . 1 1 3 3 LYS H H 2 8.512 8.512 8.429 0.083 17879 5917 1 10 . 1 1 4 4 SER N N 3 118.350 118.350 115.063 3.287 17879 5918 1 10 . 1 1 4 4 SER HA H 3 4.631 4.631 4.724 -0.093 17879 5919 1 10 . 1 1 4 4 SER C C 3 175.421 175.421 174.308 1.113 17879 5920 1 10 . 1 1 4 4 SER CA C 3 57.629 57.629 57.047 0.582 17879 5921 1 10 . 1 1 4 4 SER CB C 3 64.079 64.079 64.875 -0.796 17879 5922 1 10 . 1 1 4 4 SER H H 3 8.426 8.426 8.090 0.336 17879 5923 1 10 . 1 1 5 5 THR N N 4 127.775 127.775 114.510 13.265 17879 5924 1 10 . 1 1 5 5 THR HA H 4 4.482 4.482 4.409 0.073 17879 5925 1 10 . 1 1 5 5 THR C C 4 174.680 174.680 175.689 -1.009 17879 5926 1 10 . 1 1 5 5 THR CA C 4 62.001 62.001 63.159 -1.158 17879 5927 1 10 . 1 1 5 5 THR CB C 4 70.137 70.137 69.445 0.692 17879 5928 1 10 . 1 1 5 5 THR H H 4 9.971 9.971 8.569 1.402 17879 5929 1 10 . 1 1 6 6 PHE N N 5 123.021 123.021 123.563 -0.542 17879 5930 1 10 . 1 1 6 6 PHE HA H 5 4.125 4.125 4.320 -0.195 17879 5931 1 10 . 1 1 6 6 PHE C C 5 177.064 177.064 175.497 1.567 17879 5932 1 10 . 1 1 6 6 PHE CA C 5 63.041 63.041 60.823 2.218 17879 5933 1 10 . 1 1 6 6 PHE CB C 5 40.828 40.828 39.147 1.681 17879 5934 1 10 . 1 1 6 6 PHE H H 5 8.863 8.863 8.747 0.116 17879 5935 1 10 . 1 1 7 7 LYS N N 6 114.006 114.006 114.181 -0.175 17879 5936 1 10 . 1 1 7 7 LYS HA H 6 3.916 3.916 3.831 0.085 17879 5937 1 10 . 1 1 7 7 LYS C C 6 177.535 177.535 175.996 1.539 17879 5938 1 10 . 1 1 7 7 LYS CA C 6 60.026 60.026 55.871 4.155 17879 5939 1 10 . 1 1 7 7 LYS CB C 6 33.611 33.611 31.914 1.697 17879 5940 1 10 . 1 1 7 7 LYS H H 6 8.661 8.661 8.308 0.353 17879 5941 1 10 . 1 1 8 8 SER N N 7 111.149 111.149 113.136 -1.987 17879 5942 1 10 . 1 1 8 8 SER HA H 7 4.275 4.275 4.478 -0.203 17879 5943 1 10 . 1 1 8 8 SER C C 7 175.689 175.689 175.076 0.613 17879 5944 1 10 . 1 1 8 8 SER CA C 7 60.007 60.007 58.642 1.365 17879 5945 1 10 . 1 1 8 8 SER CB C 7 63.759 63.759 63.599 0.160 17879 5946 1 10 . 1 1 8 8 SER H H 7 7.552 7.552 7.768 -0.216 17879 5947 1 10 . 1 1 9 9 GLU N N 8 122.296 122.296 121.127 1.169 17879 5948 1 10 . 1 1 9 9 GLU HA H 8 3.818 3.818 4.277 -0.459 17879 5949 1 10 . 1 1 9 9 GLU C C 8 176.068 176.068 176.202 -0.134 17879 5950 1 10 . 1 1 9 9 GLU CA C 8 58.137 58.137 57.492 0.645 17879 5951 1 10 . 1 1 9 9 GLU CB C 8 30.965 30.965 30.966 -0.001 17879 5952 1 10 . 1 1 9 9 GLU H H 8 7.924 7.924 7.889 0.035 17879 5953 1 10 . 1 1 10 10 TYR N N 9 115.131 115.131 116.774 -1.643 17879 5954 1 10 . 1 1 10 10 TYR HA H 9 5.066 5.066 5.007 0.059 17879 5955 1 10 . 1 1 10 10 TYR CA C 9 53.958 53.958 53.674 0.284 17879 5956 1 10 . 1 1 10 10 TYR CB C 9 41.055 41.055 37.181 3.874 17879 5957 1 10 . 1 1 10 10 TYR H H 9 7.052 7.052 7.077 -0.025 17879 5958 1 10 . 1 1 11 11 PRO HA H 10 4.708 4.708 4.611 0.097 17879 5959 1 10 . 1 1 11 11 PRO C C 10 177.384 177.384 177.419 -0.035 17879 5960 1 10 . 1 1 11 11 PRO CA C 10 62.279 62.279 61.828 0.451 17879 5961 1 10 . 1 1 11 11 PRO CB C 10 33.087 33.087 32.791 0.296 17879 5962 1 10 . 1 1 12 12 PHE N N 11 125.307 125.307 122.134 3.173 17879 5963 1 10 . 1 1 12 12 PHE HA H 11 3.883 3.883 4.155 -0.272 17879 5964 1 10 . 1 1 12 12 PHE C C 11 176.157 176.157 177.163 -1.006 17879 5965 1 10 . 1 1 12 12 PHE CA C 11 63.156 63.156 62.272 0.884 17879 5966 1 10 . 1 1 12 12 PHE CB C 11 39.935 39.935 39.210 0.725 17879 5967 1 10 . 1 1 12 12 PHE H H 11 9.385 9.385 8.679 0.706 17879 5968 1 10 . 1 1 13 13 GLU N N 12 115.356 115.356 117.962 -2.606 17879 5969 1 10 . 1 1 13 13 GLU HA H 12 3.857 3.857 3.760 0.097 17879 5970 1 10 . 1 1 13 13 GLU C C 12 179.598 179.598 178.867 0.731 17879 5971 1 10 . 1 1 13 13 GLU CA C 12 60.317 60.317 59.826 0.491 17879 5972 1 10 . 1 1 13 13 GLU CB C 12 28.642 28.642 28.915 -0.273 17879 5973 1 10 . 1 1 13 13 GLU H H 12 9.800 9.800 9.216 0.584 17879 5974 1 10 . 1 1 14 14 LYS N N 13 118.194 118.194 118.927 -0.733 17879 5975 1 10 . 1 1 14 14 LYS HA H 13 4.246 4.246 4.098 0.148 17879 5976 1 10 . 1 1 14 14 LYS C C 13 178.804 178.804 178.676 0.128 17879 5977 1 10 . 1 1 14 14 LYS CA C 13 58.143 58.143 58.435 -0.292 17879 5978 1 10 . 1 1 14 14 LYS CB C 13 32.770 32.770 32.388 0.382 17879 5979 1 10 . 1 1 14 14 LYS H H 13 7.160 7.160 7.473 -0.313 17879 5980 1 10 . 1 1 15 15 ARG N N 14 120.949 120.949 119.720 1.229 17879 5981 1 10 . 1 1 15 15 ARG HA H 14 3.892 3.892 4.082 -0.190 17879 5982 1 10 . 1 1 15 15 ARG C C 14 176.858 176.858 178.416 -1.558 17879 5983 1 10 . 1 1 15 15 ARG CA C 14 61.520 61.520 58.938 2.582 17879 5984 1 10 . 1 1 15 15 ARG CB C 14 32.840 32.840 30.071 2.769 17879 5985 1 10 . 1 1 15 15 ARG H H 14 7.686 7.686 7.858 -0.172 17879 5986 1 10 . 1 1 16 16 LYS N N 15 119.224 119.224 118.854 0.370 17879 5987 1 10 . 1 1 16 16 LYS HA H 15 4.449 4.449 4.028 0.421 17879 5988 1 10 . 1 1 16 16 LYS C C 15 177.796 177.796 178.754 -0.958 17879 5989 1 10 . 1 1 16 16 LYS CA C 15 57.366 57.366 59.362 -1.996 17879 5990 1 10 . 1 1 16 16 LYS CB C 15 32.529 32.529 31.278 1.251 17879 5991 1 10 . 1 1 16 16 LYS H H 15 8.667 8.667 8.053 0.614 17879 5992 1 10 . 1 1 17 17 ALA N N 16 117.777 117.777 121.186 -3.409 17879 5993 1 10 . 1 1 17 17 ALA HA H 16 4.164 4.164 4.045 0.119 17879 5994 1 10 . 1 1 17 17 ALA C C 16 180.641 180.641 179.816 0.825 17879 5995 1 10 . 1 1 17 17 ALA CA C 16 54.627 54.627 54.889 -0.262 17879 5996 1 10 . 1 1 17 17 ALA CB C 16 18.114 18.114 17.888 0.226 17879 5997 1 10 . 1 1 17 17 ALA H H 16 7.305 7.305 7.601 -0.296 17879 5998 1 10 . 1 1 18 18 GLU N N 17 119.934 119.934 118.988 0.946 17879 5999 1 10 . 1 1 18 18 GLU HA H 17 4.695 4.695 4.149 0.546 17879 6000 1 10 . 1 1 18 18 GLU C C 17 178.339 178.339 179.025 -0.686 17879 6001 1 10 . 1 1 18 18 GLU CA C 17 58.173 58.173 58.877 -0.704 17879 6002 1 10 . 1 1 18 18 GLU CB C 17 28.765 28.765 29.398 -0.633 17879 6003 1 10 . 1 1 18 18 GLU H H 17 7.849 7.849 8.417 -0.568 17879 6004 1 10 . 1 1 19 19 SER N N 18 117.685 117.685 114.971 2.714 17879 6005 1 10 . 1 1 19 19 SER HA H 18 3.542 3.542 4.168 -0.626 17879 6006 1 10 . 1 1 19 19 SER C C 18 178.206 178.206 177.106 1.100 17879 6007 1 10 . 1 1 19 19 SER CA C 18 62.108 62.108 61.162 0.946 17879 6008 1 10 . 1 1 19 19 SER CB C 18 59.839 59.839 62.878 -3.039 17879 6009 1 10 . 1 1 19 19 SER H H 18 8.785 8.785 8.242 0.543 17879 6010 1 10 . 1 1 20 20 GLU N N 19 124.346 124.346 121.212 3.134 17879 6011 1 10 . 1 1 20 20 GLU HA H 19 3.988 3.988 4.224 -0.236 17879 6012 1 10 . 1 1 20 20 GLU C C 19 178.788 178.788 177.487 1.301 17879 6013 1 10 . 1 1 20 20 GLU CA C 19 59.701 59.701 58.628 1.073 17879 6014 1 10 . 1 1 20 20 GLU CB C 19 29.318 29.318 29.706 -0.388 17879 6015 1 10 . 1 1 20 20 GLU H H 19 8.052 8.052 8.207 -0.155 17879 6016 1 10 . 1 1 21 21 ARG N N 20 122.089 122.089 117.247 4.842 17879 6017 1 10 . 1 1 21 21 ARG HA H 20 4.093 4.093 4.393 -0.300 17879 6018 1 10 . 1 1 21 21 ARG C C 20 179.458 179.458 178.665 0.793 17879 6019 1 10 . 1 1 21 21 ARG CA C 20 59.500 59.500 57.646 1.854 17879 6020 1 10 . 1 1 21 21 ARG CB C 20 30.412 30.412 30.901 -0.489 17879 6021 1 10 . 1 1 21 21 ARG H H 20 7.958 7.958 7.532 0.426 17879 6022 1 10 . 1 1 22 22 ILE N N 21 119.893 119.893 121.543 -1.650 17879 6023 1 10 . 1 1 22 22 ILE HA H 21 3.623 3.623 3.745 -0.122 17879 6024 1 10 . 1 1 22 22 ILE C C 21 176.842 176.842 176.821 0.021 17879 6025 1 10 . 1 1 22 22 ILE CA C 21 65.145 65.145 64.407 0.737 17879 6026 1 10 . 1 1 22 22 ILE CB C 21 38.195 38.195 37.755 0.440 17879 6027 1 10 . 1 1 22 22 ILE H H 21 8.277 8.277 8.590 -0.313 17879 6028 1 10 . 1 1 23 23 ALA N N 22 121.816 121.816 121.335 0.481 17879 6029 1 10 . 1 1 23 23 ALA HA H 22 4.071 4.071 4.095 -0.024 17879 6030 1 10 . 1 1 23 23 ALA C C 22 179.199 179.199 177.774 1.425 17879 6031 1 10 . 1 1 23 23 ALA CA C 22 54.519 54.519 54.185 0.334 17879 6032 1 10 . 1 1 23 23 ALA CB C 22 18.001 18.001 18.575 -0.574 17879 6033 1 10 . 1 1 23 23 ALA H H 22 7.962 7.962 7.817 0.145 17879 6034 1 10 . 1 1 24 24 ASP N N 23 114.866 114.866 116.012 -1.146 17879 6035 1 10 . 1 1 24 24 ASP HA H 23 4.401 4.401 4.559 -0.158 17879 6036 1 10 . 1 1 24 24 ASP C C 23 177.324 177.324 177.360 -0.036 17879 6037 1 10 . 1 1 24 24 ASP CA C 23 56.248 56.248 54.518 1.730 17879 6038 1 10 . 1 1 24 24 ASP CB C 23 42.193 42.193 41.739 0.455 17879 6039 1 10 . 1 1 24 24 ASP H H 23 7.368 7.368 7.741 -0.373 17879 6040 1 10 . 1 1 25 25 ARG N N 24 116.868 116.868 118.675 -1.807 17879 6041 1 10 . 1 1 25 25 ARG HA H 24 3.922 3.922 4.074 -0.152 17879 6042 1 10 . 1 1 25 25 ARG C C 24 176.266 176.266 176.724 -0.458 17879 6043 1 10 . 1 1 25 25 ARG CA C 24 57.158 57.158 56.681 0.477 17879 6044 1 10 . 1 1 25 25 ARG CB C 24 31.477 31.477 31.325 0.152 17879 6045 1 10 . 1 1 25 25 ARG H H 24 7.815 7.815 7.324 0.491 17879 6046 1 10 . 1 1 26 26 PHE N N 25 116.737 116.737 117.381 -0.644 17879 6047 1 10 . 1 1 26 26 PHE HA H 25 5.084 5.084 4.978 0.106 17879 6048 1 10 . 1 1 26 26 PHE CA C 25 54.304 54.304 54.889 -0.585 17879 6049 1 10 . 1 1 26 26 PHE CB C 25 39.026 39.026 38.901 0.125 17879 6050 1 10 . 1 1 26 26 PHE H H 25 8.658 8.658 7.951 0.707 17879 6051 1 10 . 1 1 27 27 PRO HA H 26 4.503 4.503 4.361 0.142 17879 6052 1 10 . 1 1 27 27 PRO C C 26 177.538 177.538 176.975 0.563 17879 6053 1 10 . 1 1 27 27 PRO CA C 26 64.394 64.394 64.247 0.147 17879 6054 1 10 . 1 1 27 27 PRO CB C 26 31.961 31.961 32.094 -0.133 17879 6055 1 10 . 1 1 28 28 ASN N N 27 114.596 114.596 117.055 -2.459 17879 6056 1 10 . 1 1 28 28 ASN HA H 27 4.725 4.725 4.800 -0.075 17879 6057 1 10 . 1 1 28 28 ASN C C 27 174.678 174.678 174.093 0.585 17879 6058 1 10 . 1 1 28 28 ASN CA C 27 52.868 52.868 52.844 0.024 17879 6059 1 10 . 1 1 28 28 ASN CB C 27 38.331 38.331 37.835 0.496 17879 6060 1 10 . 1 1 28 28 ASN H H 27 8.537 8.537 8.746 -0.209 17879 6061 1 10 . 1 1 29 29 ARG N N 28 116.946 116.946 119.284 -2.338 17879 6062 1 10 . 1 1 29 29 ARG HA H 28 4.769 4.769 4.889 -0.120 17879 6063 1 10 . 1 1 29 29 ARG C C 28 174.469 174.469 175.069 -0.600 17879 6064 1 10 . 1 1 29 29 ARG CA C 28 52.948 52.948 54.330 -1.382 17879 6065 1 10 . 1 1 29 29 ARG CB C 28 32.941 32.941 33.849 -0.908 17879 6066 1 10 . 1 1 29 29 ARG H H 28 7.580 7.580 7.190 0.390 17879 6067 1 10 . 1 1 30 30 ILE N N 29 121.854 121.854 120.490 1.364 17879 6068 1 10 . 1 1 30 30 ILE HA H 29 4.098 4.098 4.004 0.094 17879 6069 1 10 . 1 1 30 30 ILE CA C 29 55.558 55.558 57.432 -1.875 17879 6070 1 10 . 1 1 30 30 ILE CB C 29 38.805 38.805 39.668 -0.863 17879 6071 1 10 . 1 1 30 30 ILE H H 29 9.262 9.262 8.611 0.651 17879 6072 1 10 . 1 1 31 31 PRO HA H 30 4.856 4.856 4.758 0.098 17879 6073 1 10 . 1 1 31 31 PRO C C 30 174.121 174.121 176.544 -2.423 17879 6074 1 10 . 1 1 31 31 PRO CA C 30 61.705 61.705 62.347 -0.642 17879 6075 1 10 . 1 1 31 31 PRO CB C 30 30.966 30.966 30.906 0.060 17879 6076 1 10 . 1 1 32 32 VAL N N 31 127.197 127.197 119.140 8.057 17879 6077 1 10 . 1 1 32 32 VAL HA H 31 4.997 4.997 5.039 -0.042 17879 6078 1 10 . 1 1 32 32 VAL C C 31 174.181 174.181 174.222 -0.041 17879 6079 1 10 . 1 1 32 32 VAL CA C 31 60.620 60.620 58.684 1.936 17879 6080 1 10 . 1 1 32 32 VAL CB C 31 35.645 35.645 36.275 -0.630 17879 6081 1 10 . 1 1 32 32 VAL H H 31 9.096 9.096 9.038 0.058 17879 6082 1 10 . 1 1 33 33 ILE N N 32 127.157 127.157 120.008 7.149 17879 6083 1 10 . 1 1 33 33 ILE HA H 32 4.917 4.917 4.644 0.273 17879 6084 1 10 . 1 1 33 33 ILE C C 32 174.991 174.991 175.178 -0.187 17879 6085 1 10 . 1 1 33 33 ILE CA C 32 56.589 56.589 59.665 -3.076 17879 6086 1 10 . 1 1 33 33 ILE CB C 32 35.908 35.908 38.825 -2.917 17879 6087 1 10 . 1 1 33 33 ILE H H 32 8.775 8.775 8.218 0.557 17879 6088 1 10 . 1 1 34 34 CYS N N 33 129.280 129.280 128.025 1.255 17879 6089 1 10 . 1 1 34 34 CYS HA H 33 5.559 5.559 4.612 0.947 17879 6090 1 10 . 1 1 34 34 CYS C C 33 173.218 173.218 173.633 -0.415 17879 6091 1 10 . 1 1 34 34 CYS CA C 33 57.121 57.121 58.862 -1.741 17879 6092 1 10 . 1 1 34 34 CYS CB C 33 28.880 28.880 28.180 0.700 17879 6093 1 10 . 1 1 34 34 CYS H H 33 9.738 9.738 9.243 0.495 17879 6094 1 10 . 1 1 35 35 GLU N N 34 124.130 124.130 126.795 -2.665 17879 6095 1 10 . 1 1 35 35 GLU HA H 34 4.977 4.977 4.778 0.199 17879 6096 1 10 . 1 1 35 35 GLU C C 34 174.190 174.190 173.971 0.219 17879 6097 1 10 . 1 1 35 35 GLU CA C 34 54.308 54.308 54.733 -0.425 17879 6098 1 10 . 1 1 35 35 GLU CB C 34 35.281 35.281 33.848 1.433 17879 6099 1 10 . 1 1 35 35 GLU H H 34 8.531 8.531 8.419 0.112 17879 6100 1 10 . 1 1 36 36 LYS N N 35 123.562 123.562 125.175 -1.613 17879 6101 1 10 . 1 1 36 36 LYS HA H 35 3.056 3.056 4.088 -1.032 17879 6102 1 10 . 1 1 36 36 LYS C C 35 177.452 177.452 176.126 1.326 17879 6103 1 10 . 1 1 36 36 LYS CA C 35 56.374 56.374 55.097 1.277 17879 6104 1 10 . 1 1 36 36 LYS CB C 35 32.750 32.750 32.428 0.322 17879 6105 1 10 . 1 1 36 36 LYS H H 35 8.949 8.949 8.552 0.397 17879 6106 1 10 . 1 1 37 37 ALA N N 36 129.494 129.494 129.809 -0.315 17879 6107 1 10 . 1 1 37 37 ALA HA H 36 4.163 4.163 4.212 -0.049 17879 6108 1 10 . 1 1 37 37 ALA C C 36 178.375 178.375 176.890 1.485 17879 6109 1 10 . 1 1 37 37 ALA CA C 36 52.702 52.702 52.886 -0.184 17879 6110 1 10 . 1 1 37 37 ALA CB C 36 18.673 18.673 19.799 -1.126 17879 6111 1 10 . 1 1 37 37 ALA H H 36 8.561 8.561 7.625 0.936 17879 6112 1 10 . 1 1 38 38 GLU N N 37 125.115 125.115 119.138 5.977 17879 6113 1 10 . 1 1 38 38 GLU HA H 37 3.959 3.959 4.071 -0.112 17879 6114 1 10 . 1 1 38 38 GLU C C 37 177.516 177.516 178.139 -0.623 17879 6115 1 10 . 1 1 38 38 GLU CA C 37 59.302 59.302 57.909 1.393 17879 6116 1 10 . 1 1 38 38 GLU CB C 37 30.154 30.154 29.813 0.341 17879 6117 1 10 . 1 1 38 38 GLU H H 37 8.648 8.648 8.710 -0.062 17879 6118 1 10 . 1 1 39 39 LYS N N 38 115.020 115.020 120.733 -5.713 17879 6119 1 10 . 1 1 39 39 LYS HA H 38 4.188 4.188 4.033 0.155 17879 6120 1 10 . 1 1 39 39 LYS C C 38 176.244 176.244 177.293 -1.049 17879 6121 1 10 . 1 1 39 39 LYS CA C 38 56.564 56.564 58.003 -1.439 17879 6122 1 10 . 1 1 39 39 LYS CB C 38 31.484 31.484 31.724 -0.240 17879 6123 1 10 . 1 1 39 39 LYS H H 38 8.494 8.494 8.265 0.229 17879 6124 1 10 . 1 1 40 40 SER N N 39 113.091 113.091 114.177 -1.086 17879 6125 1 10 . 1 1 40 40 SER HA H 39 4.535 4.535 4.226 0.309 17879 6126 1 10 . 1 1 40 40 SER C C 39 174.896 174.896 174.774 0.122 17879 6127 1 10 . 1 1 40 40 SER CA C 39 57.985 57.985 58.522 -0.537 17879 6128 1 10 . 1 1 40 40 SER CB C 39 65.000 65.000 64.016 0.984 17879 6129 1 10 . 1 1 40 40 SER H H 39 7.346 7.346 8.052 -0.706 17879 6130 1 10 . 1 1 41 41 ASP N N 40 127.375 127.375 123.117 4.258 17879 6131 1 10 . 1 1 41 41 ASP HA H 40 4.782 4.782 4.850 -0.068 17879 6132 1 10 . 1 1 41 41 ASP C C 40 175.205 175.205 176.055 -0.850 17879 6133 1 10 . 1 1 41 41 ASP CA C 40 53.549 53.549 53.299 0.250 17879 6134 1 10 . 1 1 41 41 ASP CB C 40 39.916 39.916 41.185 -1.269 17879 6135 1 10 . 1 1 41 41 ASP H H 40 8.744 8.744 8.601 0.143 17879 6136 1 10 . 1 1 42 42 ILE N N 41 122.943 122.943 118.188 4.755 17879 6137 1 10 . 1 1 42 42 ILE HA H 41 4.661 4.661 4.769 -0.108 17879 6138 1 10 . 1 1 42 42 ILE CA C 41 59.133 59.133 58.413 0.720 17879 6139 1 10 . 1 1 42 42 ILE CB C 41 40.534 40.534 39.137 1.397 17879 6140 1 10 . 1 1 42 42 ILE H H 41 7.649 7.649 7.975 -0.326 17879 6141 1 10 . 1 1 43 43 PRO HA H 42 4.414 4.414 4.468 -0.054 17879 6142 1 10 . 1 1 43 43 PRO C C 42 175.952 175.952 176.207 -0.255 17879 6143 1 10 . 1 1 43 43 PRO CA C 42 63.829 63.829 62.490 1.339 17879 6144 1 10 . 1 1 43 43 PRO CB C 42 32.895 32.895 31.706 1.189 17879 6145 1 10 . 1 1 44 44 GLU N N 43 120.369 120.369 124.495 -4.126 17879 6146 1 10 . 1 1 44 44 GLU HA H 43 4.298 4.298 4.114 0.184 17879 6147 1 10 . 1 1 44 44 GLU C C 43 175.316 175.316 176.058 -0.742 17879 6148 1 10 . 1 1 44 44 GLU CA C 43 56.400 56.400 57.104 -0.704 17879 6149 1 10 . 1 1 44 44 GLU CB C 43 31.282 31.282 30.546 0.736 17879 6150 1 10 . 1 1 44 44 GLU H H 43 8.393 8.393 8.471 -0.078 17879 6151 1 10 . 1 1 45 45 ILE N N 44 123.670 123.670 122.857 0.813 17879 6152 1 10 . 1 1 45 45 ILE HA H 44 4.419 4.419 4.321 0.098 17879 6153 1 10 . 1 1 45 45 ILE C C 44 174.786 174.786 176.421 -1.635 17879 6154 1 10 . 1 1 45 45 ILE CA C 44 61.027 61.027 60.515 0.512 17879 6155 1 10 . 1 1 45 45 ILE CB C 44 40.509 40.509 40.224 0.285 17879 6156 1 10 . 1 1 45 45 ILE H H 44 8.067 8.067 8.489 -0.422 17879 6157 1 10 . 1 1 46 46 ASP N N 45 123.340 123.340 122.256 1.084 17879 6158 1 10 . 1 1 46 46 ASP HA H 45 4.412 4.412 4.409 0.003 17879 6159 1 10 . 1 1 46 46 ASP C C 45 175.494 175.494 175.958 -0.464 17879 6160 1 10 . 1 1 46 46 ASP CA C 45 55.467 55.467 57.228 -1.761 17879 6161 1 10 . 1 1 46 46 ASP CB C 45 40.320 40.320 41.282 -0.962 17879 6162 1 10 . 1 1 46 46 ASP H H 45 8.468 8.468 8.972 -0.504 17879 6163 1 10 . 1 1 47 47 LYS N N 46 121.295 121.295 113.359 7.936 17879 6164 1 10 . 1 1 47 47 LYS HA H 46 4.428 4.428 4.797 -0.369 17879 6165 1 10 . 1 1 47 47 LYS CA C 46 56.020 56.020 54.399 1.621 17879 6166 1 10 . 1 1 47 47 LYS CB C 46 34.644 34.644 35.313 -0.669 17879 6167 1 10 . 1 1 47 47 LYS H H 46 7.319 7.319 7.665 -0.346 17879 6168 1 10 . 1 1 48 48 ARG N N 47 124.949 124.949 119.865 5.084 17879 6169 1 10 . 1 1 48 48 ARG HA H 47 5.271 5.271 5.042 0.229 17879 6170 1 10 . 1 1 48 48 ARG C C 47 173.546 173.546 175.470 -1.924 17879 6171 1 10 . 1 1 48 48 ARG CA C 47 55.581 55.581 55.354 0.227 17879 6172 1 10 . 1 1 48 48 ARG CB C 47 32.992 32.992 30.610 2.382 17879 6173 1 10 . 1 1 48 48 ARG H H 47 8.558 8.558 8.395 0.163 17879 6174 1 10 . 1 1 49 49 LYS N N 48 122.812 122.812 124.169 -1.357 17879 6175 1 10 . 1 1 49 49 LYS HA H 48 5.030 5.030 4.420 0.610 17879 6176 1 10 . 1 1 49 49 LYS C C 48 174.301 174.301 174.081 0.220 17879 6177 1 10 . 1 1 49 49 LYS CA C 48 55.042 55.042 56.129 -1.087 17879 6178 1 10 . 1 1 49 49 LYS CB C 48 34.065 34.065 33.582 0.483 17879 6179 1 10 . 1 1 49 49 LYS H H 48 7.440 7.440 8.266 -0.826 17879 6180 1 10 . 1 1 50 50 TYR N N 49 124.842 124.842 125.132 -0.290 17879 6181 1 10 . 1 1 50 50 TYR HA H 49 4.721 4.721 4.767 -0.046 17879 6182 1 10 . 1 1 50 50 TYR C C 49 173.674 173.674 174.250 -0.576 17879 6183 1 10 . 1 1 50 50 TYR CA C 49 57.192 57.192 57.049 0.143 17879 6184 1 10 . 1 1 50 50 TYR CB C 49 43.123 43.123 42.890 0.233 17879 6185 1 10 . 1 1 50 50 TYR H H 49 9.590 9.590 9.194 0.396 17879 6186 1 10 . 1 1 51 51 LEU N N 50 124.138 124.138 124.810 -0.672 17879 6187 1 10 . 1 1 51 51 LEU HA H 50 4.753 4.753 4.812 -0.059 17879 6188 1 10 . 1 1 51 51 LEU C C 50 176.050 176.050 175.158 0.892 17879 6189 1 10 . 1 1 51 51 LEU CA C 50 53.158 53.158 53.668 -0.510 17879 6190 1 10 . 1 1 51 51 LEU CB C 50 41.155 41.155 42.678 -1.523 17879 6191 1 10 . 1 1 51 51 LEU H H 50 8.901 8.901 8.722 0.179 17879 6192 1 10 . 1 1 52 52 VAL N N 51 123.181 123.181 119.848 3.333 17879 6193 1 10 . 1 1 52 52 VAL HA H 51 3.948 3.948 4.682 -0.734 17879 6194 1 10 . 1 1 52 52 VAL CA C 51 59.724 59.724 58.992 0.732 17879 6195 1 10 . 1 1 52 52 VAL CB C 51 33.605 33.605 32.181 1.424 17879 6196 1 10 . 1 1 52 52 VAL H H 51 8.513 8.513 8.009 0.504 17879 6197 1 10 . 1 1 53 53 PRO HA H 52 4.305 4.305 4.357 -0.052 17879 6198 1 10 . 1 1 53 53 PRO C C 52 176.607 176.607 175.953 0.654 17879 6199 1 10 . 1 1 53 53 PRO CA C 52 63.950 63.950 61.977 1.973 17879 6200 1 10 . 1 1 53 53 PRO CB C 52 32.163 32.163 32.426 -0.263 17879 6201 1 10 . 1 1 54 54 ALA N N 53 123.771 123.771 119.828 3.943 17879 6202 1 10 . 1 1 54 54 ALA HA H 53 3.720 3.720 4.192 -0.472 17879 6203 1 10 . 1 1 54 54 ALA C C 53 176.409 176.409 176.798 -0.389 17879 6204 1 10 . 1 1 54 54 ALA CA C 53 54.742 54.742 52.635 2.107 17879 6205 1 10 . 1 1 54 54 ALA CB C 53 18.948 18.948 19.315 -0.367 17879 6206 1 10 . 1 1 54 54 ALA H H 53 7.926 7.926 8.403 -0.477 17879 6207 1 10 . 1 1 55 55 ASP N N 54 111.152 111.152 118.052 -6.900 17879 6208 1 10 . 1 1 55 55 ASP HA H 54 4.621 4.621 4.584 0.037 17879 6209 1 10 . 1 1 55 55 ASP C C 54 175.823 175.823 176.449 -0.626 17879 6210 1 10 . 1 1 55 55 ASP CA C 54 52.744 52.744 54.664 -1.920 17879 6211 1 10 . 1 1 55 55 ASP CB C 54 39.861 39.861 41.452 -1.591 17879 6212 1 10 . 1 1 55 55 ASP H H 54 8.106 8.106 8.043 0.063 17879 6213 1 10 . 1 1 56 56 LEU N N 55 121.263 121.263 122.629 -1.366 17879 6214 1 10 . 1 1 56 56 LEU HA H 55 4.351 4.351 4.321 0.030 17879 6215 1 10 . 1 1 56 56 LEU C C 55 177.459 177.459 176.487 0.972 17879 6216 1 10 . 1 1 56 56 LEU CA C 55 55.472 55.472 55.486 -0.014 17879 6217 1 10 . 1 1 56 56 LEU CB C 55 43.593 43.593 43.220 0.373 17879 6218 1 10 . 1 1 56 56 LEU H H 55 7.295 7.295 7.767 -0.472 17879 6219 1 10 . 1 1 57 57 THR N N 56 114.222 114.222 115.879 -1.657 17879 6220 1 10 . 1 1 57 57 THR HA H 56 5.233 5.233 4.622 0.611 17879 6221 1 10 . 1 1 57 57 THR C C 56 176.538 176.538 175.692 0.846 17879 6222 1 10 . 1 1 57 57 THR CA C 56 60.318 60.318 60.868 -0.550 17879 6223 1 10 . 1 1 57 57 THR CB C 56 71.303 71.303 70.674 0.629 17879 6224 1 10 . 1 1 57 57 THR H H 56 8.476 8.476 8.186 0.290 17879 6225 1 10 . 1 1 58 58 VAL N N 57 122.331 122.331 120.995 1.336 17879 6226 1 10 . 1 1 58 58 VAL HA H 57 3.738 3.738 3.888 -0.150 17879 6227 1 10 . 1 1 58 58 VAL C C 57 178.743 178.743 177.923 0.820 17879 6228 1 10 . 1 1 58 58 VAL CA C 57 66.797 66.797 66.309 0.488 17879 6229 1 10 . 1 1 58 58 VAL CB C 57 31.801 31.801 31.765 0.036 17879 6230 1 10 . 1 1 58 58 VAL H H 57 8.806 8.806 8.257 0.549 17879 6231 1 10 . 1 1 59 59 GLY N N 58 105.470 105.470 104.470 1.000 17879 6232 1 10 . 1 1 59 59 GLY C C 58 176.924 176.924 175.406 1.518 17879 6233 1 10 . 1 1 59 59 GLY CA C 58 47.317 47.317 46.614 0.703 17879 6234 1 10 . 1 1 59 59 GLY H H 58 9.381 9.381 7.747 1.634 17879 6235 1 10 . 1 1 60 60 GLN N N 59 121.492 121.492 118.227 3.265 17879 6236 1 10 . 1 1 60 60 GLN HA H 59 4.166 4.166 4.452 -0.286 17879 6237 1 10 . 1 1 60 60 GLN C C 59 178.605 178.605 177.471 1.134 17879 6238 1 10 . 1 1 60 60 GLN CA C 59 58.764 58.764 57.504 1.260 17879 6239 1 10 . 1 1 60 60 GLN CB C 59 29.129 29.129 29.444 -0.315 17879 6240 1 10 . 1 1 60 60 GLN H H 59 8.027 8.027 7.676 0.351 17879 6241 1 10 . 1 1 61 61 PHE N N 60 122.595 122.595 122.210 0.385 17879 6242 1 10 . 1 1 61 61 PHE HA H 60 4.291 4.291 4.343 -0.052 17879 6243 1 10 . 1 1 61 61 PHE C C 60 176.690 176.690 176.884 -0.194 17879 6244 1 10 . 1 1 61 61 PHE CA C 60 61.502 61.502 60.377 1.125 17879 6245 1 10 . 1 1 61 61 PHE CB C 60 39.155 39.155 39.416 -0.261 17879 6246 1 10 . 1 1 61 61 PHE H H 60 8.522 8.522 7.864 0.658 17879 6247 1 10 . 1 1 62 62 VAL N N 61 118.720 118.720 118.509 0.211 17879 6248 1 10 . 1 1 62 62 VAL HA H 61 3.070 3.070 3.256 -0.186 17879 6249 1 10 . 1 1 62 62 VAL C C 61 176.872 176.872 177.279 -0.407 17879 6250 1 10 . 1 1 62 62 VAL CA C 61 67.040 67.040 66.718 0.322 17879 6251 1 10 . 1 1 62 62 VAL CB C 61 31.119 31.119 31.247 -0.129 17879 6252 1 10 . 1 1 62 62 VAL H H 61 8.705 8.705 8.084 0.621 17879 6253 1 10 . 1 1 63 63 TYR N N 62 118.462 118.462 119.677 -1.215 17879 6254 1 10 . 1 1 63 63 TYR HA H 62 3.987 3.987 3.989 -0.002 17879 6255 1 10 . 1 1 63 63 TYR C C 62 177.325 177.325 177.008 0.317 17879 6256 1 10 . 1 1 63 63 TYR CA C 62 61.685 61.685 61.279 0.406 17879 6257 1 10 . 1 1 63 63 TYR CB C 62 37.906 37.906 37.483 0.423 17879 6258 1 10 . 1 1 63 63 TYR H H 62 7.373 7.373 7.902 -0.529 17879 6259 1 10 . 1 1 64 64 VAL N N 63 119.137 119.137 118.422 0.715 17879 6260 1 10 . 1 1 64 64 VAL HA H 63 3.342 3.342 2.652 0.690 17879 6261 1 10 . 1 1 64 64 VAL C C 63 178.326 178.326 178.037 0.289 17879 6262 1 10 . 1 1 64 64 VAL CA C 63 66.615 66.615 65.340 1.275 17879 6263 1 10 . 1 1 64 64 VAL CB C 63 31.157 31.157 31.066 0.091 17879 6264 1 10 . 1 1 64 64 VAL H H 63 7.376 7.376 7.197 0.179 17879 6265 1 10 . 1 1 65 65 ILE N N 64 118.858 118.858 119.664 -0.806 17879 6266 1 10 . 1 1 65 65 ILE HA H 64 3.279 3.279 3.556 -0.277 17879 6267 1 10 . 1 1 65 65 ILE C C 64 177.653 177.653 178.214 -0.561 17879 6268 1 10 . 1 1 65 65 ILE CA C 64 63.682 63.682 61.327 2.355 17879 6269 1 10 . 1 1 65 65 ILE CB C 64 36.150 36.150 35.779 0.372 17879 6270 1 10 . 1 1 65 65 ILE H H 64 7.366 7.366 7.177 0.189 17879 6271 1 10 . 1 1 66 66 ARG N N 65 118.729 118.729 119.877 -1.148 17879 6272 1 10 . 1 1 66 66 ARG HA H 65 3.397 3.397 3.775 -0.378 17879 6273 1 10 . 1 1 66 66 ARG C C 65 178.284 178.284 178.649 -0.365 17879 6274 1 10 . 1 1 66 66 ARG CA C 65 60.078 60.078 59.235 0.843 17879 6275 1 10 . 1 1 66 66 ARG CB C 65 30.022 30.022 29.835 0.187 17879 6276 1 10 . 1 1 66 66 ARG H H 65 8.463 8.463 8.316 0.147 17879 6277 1 10 . 1 1 67 67 LYS N N 66 116.643 116.643 117.979 -1.336 17879 6278 1 10 . 1 1 67 67 LYS HA H 66 3.951 3.951 4.111 -0.160 17879 6279 1 10 . 1 1 67 67 LYS C C 66 178.989 178.989 179.385 -0.396 17879 6280 1 10 . 1 1 67 67 LYS CA C 66 58.347 58.347 58.454 -0.107 17879 6281 1 10 . 1 1 67 67 LYS CB C 66 31.938 31.938 31.614 0.324 17879 6282 1 10 . 1 1 67 67 LYS H H 66 7.536 7.536 8.082 -0.546 17879 6283 1 10 . 1 1 68 68 ARG N N 67 119.051 119.051 118.873 0.178 17879 6284 1 10 . 1 1 68 68 ARG HA H 67 4.104 4.104 4.045 0.059 17879 6285 1 10 . 1 1 68 68 ARG C C 67 178.122 178.122 177.176 0.946 17879 6286 1 10 . 1 1 68 68 ARG CA C 67 58.182 58.182 58.122 0.060 17879 6287 1 10 . 1 1 68 68 ARG CB C 67 30.273 30.273 30.084 0.189 17879 6288 1 10 . 1 1 68 68 ARG H H 67 7.783 7.783 7.974 -0.191 17879 6289 1 10 . 1 1 69 69 ILE N N 68 112.456 112.456 109.529 2.927 17879 6290 1 10 . 1 1 69 69 ILE HA H 68 4.223 4.223 4.452 -0.229 17879 6291 1 10 . 1 1 69 69 ILE C C 68 174.568 174.568 174.631 -0.063 17879 6292 1 10 . 1 1 69 69 ILE CA C 68 61.502 61.502 59.427 2.075 17879 6293 1 10 . 1 1 69 69 ILE CB C 68 38.643 38.643 38.664 -0.021 17879 6294 1 10 . 1 1 69 69 ILE H H 68 7.675 7.675 7.251 0.424 17879 6295 1 10 . 1 1 70 70 MET N N 69 118.509 118.509 115.284 3.225 17879 6296 1 10 . 1 1 70 70 MET HA H 69 3.982 3.982 3.960 0.022 17879 6297 1 10 . 1 1 70 70 MET C C 69 175.482 175.482 175.451 0.031 17879 6298 1 10 . 1 1 70 70 MET CA C 69 55.811 55.811 56.318 -0.507 17879 6299 1 10 . 1 1 70 70 MET CB C 69 29.392 29.392 29.590 -0.198 17879 6300 1 10 . 1 1 70 70 MET H H 69 7.805 7.805 7.659 0.146 17879 6301 1 10 . 1 1 71 71 LEU N N 70 121.952 121.952 121.776 0.176 17879 6302 1 10 . 1 1 71 71 LEU HA H 70 4.603 4.603 4.233 0.370 17879 6303 1 10 . 1 1 71 71 LEU CA C 70 52.560 52.560 54.615 -2.055 17879 6304 1 10 . 1 1 71 71 LEU CB C 70 44.045 44.045 41.989 2.056 17879 6305 1 10 . 1 1 71 71 LEU H H 70 7.493 7.493 7.707 -0.214 17879 6306 1 10 . 1 1 72 72 PRO HA H 71 4.678 4.678 4.798 -0.120 17879 6307 1 10 . 1 1 72 72 PRO CA C 71 62.124 62.124 61.065 1.060 17879 6308 1 10 . 1 1 72 72 PRO CB C 71 31.307 31.307 31.315 -0.008 17879 6309 1 10 . 1 1 73 73 PRO HA H 72 4.123 4.123 4.380 -0.257 17879 6310 1 10 . 1 1 73 73 PRO C C 72 177.052 177.052 176.574 0.478 17879 6311 1 10 . 1 1 73 73 PRO CA C 72 64.924 64.924 64.199 0.725 17879 6312 1 10 . 1 1 73 73 PRO CB C 72 32.049 32.049 32.096 -0.047 17879 6313 1 10 . 1 1 74 74 GLU N N 73 115.091 115.091 116.081 -0.990 17879 6314 1 10 . 1 1 74 74 GLU HA H 73 4.181 4.181 4.351 -0.170 17879 6315 1 10 . 1 1 74 74 GLU C C 73 176.459 176.459 176.491 -0.032 17879 6316 1 10 . 1 1 74 74 GLU CA C 73 57.774 57.774 56.142 1.632 17879 6317 1 10 . 1 1 74 74 GLU CB C 73 28.321 28.321 29.228 -0.907 17879 6318 1 10 . 1 1 74 74 GLU H H 73 9.065 9.065 8.466 0.599 17879 6319 1 10 . 1 1 75 75 LYS N N 74 121.755 121.755 119.915 1.840 17879 6320 1 10 . 1 1 75 75 LYS HA H 74 4.520 4.520 4.606 -0.086 17879 6321 1 10 . 1 1 75 75 LYS C C 74 174.789 174.789 174.640 0.149 17879 6322 1 10 . 1 1 75 75 LYS CA C 74 54.789 54.789 54.904 -0.114 17879 6323 1 10 . 1 1 75 75 LYS CB C 74 32.882 32.882 35.728 -2.846 17879 6324 1 10 . 1 1 75 75 LYS H H 74 7.797 7.797 7.465 0.332 17879 6325 1 10 . 1 1 76 76 ALA N N 75 127.848 127.848 121.532 6.316 17879 6326 1 10 . 1 1 76 76 ALA HA H 75 4.072 4.072 4.658 -0.586 17879 6327 1 10 . 1 1 76 76 ALA C C 75 175.710 175.710 175.091 0.619 17879 6328 1 10 . 1 1 76 76 ALA CA C 75 52.226 52.226 51.303 0.923 17879 6329 1 10 . 1 1 76 76 ALA CB C 75 20.956 20.956 21.976 -1.020 17879 6330 1 10 . 1 1 76 76 ALA H H 75 8.410 8.410 8.412 -0.002 17879 6331 1 10 . 1 1 77 77 ILE N N 76 114.298 114.298 121.252 -6.954 17879 6332 1 10 . 1 1 77 77 ILE HA H 76 4.593 4.593 5.115 -0.522 17879 6333 1 10 . 1 1 77 77 ILE C C 76 172.379 172.379 174.107 -1.728 17879 6334 1 10 . 1 1 77 77 ILE CA C 76 59.699 59.699 60.703 -1.004 17879 6335 1 10 . 1 1 77 77 ILE CB C 76 41.218 41.218 40.967 0.251 17879 6336 1 10 . 1 1 77 77 ILE H H 76 7.193 7.193 7.956 -0.763 17879 6337 1 10 . 1 1 78 78 PHE N N 77 124.094 124.094 126.899 -2.805 17879 6338 1 10 . 1 1 78 78 PHE HA H 77 4.556 4.556 4.871 -0.315 17879 6339 1 10 . 1 1 78 78 PHE C C 77 174.359 174.359 174.736 -0.377 17879 6340 1 10 . 1 1 78 78 PHE CA C 77 56.596 56.596 56.407 0.189 17879 6341 1 10 . 1 1 78 78 PHE CB C 77 42.370 42.370 42.604 -0.234 17879 6342 1 10 . 1 1 78 78 PHE H H 77 8.931 8.931 9.382 -0.451 17879 6343 1 10 . 1 1 79 79 ILE N N 78 117.724 117.724 121.391 -3.667 17879 6344 1 10 . 1 1 79 79 ILE HA H 78 5.233 5.233 4.704 0.529 17879 6345 1 10 . 1 1 79 79 ILE C C 78 173.334 173.334 175.066 -1.732 17879 6346 1 10 . 1 1 79 79 ILE CA C 78 58.130 58.130 60.906 -2.776 17879 6347 1 10 . 1 1 79 79 ILE CB C 78 39.360 39.360 38.794 0.567 17879 6348 1 10 . 1 1 79 79 ILE H H 78 8.025 8.025 8.838 -0.813 17879 6349 1 10 . 1 1 80 80 PHE N N 79 121.084 121.084 124.175 -3.091 17879 6350 1 10 . 1 1 80 80 PHE HA H 79 5.365 5.365 5.361 0.004 17879 6351 1 10 . 1 1 80 80 PHE C C 79 176.270 176.270 174.619 1.651 17879 6352 1 10 . 1 1 80 80 PHE CA C 79 55.948 55.948 56.466 -0.518 17879 6353 1 10 . 1 1 80 80 PHE CB C 79 42.763 42.763 42.918 -0.155 17879 6354 1 10 . 1 1 80 80 PHE H H 79 9.210 9.210 9.049 0.161 17879 6355 1 10 . 1 1 81 81 VAL N N 80 117.974 117.974 122.700 -4.726 17879 6356 1 10 . 1 1 81 81 VAL HA H 80 4.520 4.520 4.480 0.040 17879 6357 1 10 . 1 1 81 81 VAL C C 80 175.699 175.699 175.479 0.220 17879 6358 1 10 . 1 1 81 81 VAL CA C 80 60.484 60.484 61.440 -0.956 17879 6359 1 10 . 1 1 81 81 VAL CB C 80 34.263 34.263 32.651 1.611 17879 6360 1 10 . 1 1 81 81 VAL H H 80 8.832 8.832 8.948 -0.116 17879 6361 1 10 . 1 1 82 82 ASN N N 81 127.615 127.615 124.539 3.076 17879 6362 1 10 . 1 1 82 82 ASN HA H 81 4.339 4.339 4.377 -0.038 17879 6363 1 10 . 1 1 82 82 ASN C C 81 174.036 174.036 174.666 -0.630 17879 6364 1 10 . 1 1 82 82 ASN CA C 81 55.231 55.231 54.465 0.766 17879 6365 1 10 . 1 1 82 82 ASN CB C 81 37.408 37.408 37.383 0.025 17879 6366 1 10 . 1 1 82 82 ASN H H 81 9.689 9.689 9.189 0.500 17879 6367 1 10 . 1 1 83 83 ASP N N 82 112.699 112.699 111.865 0.834 17879 6368 1 10 . 1 1 83 83 ASP HA H 82 4.135 4.135 4.260 -0.125 17879 6369 1 10 . 1 1 83 83 ASP C C 82 174.560 174.560 174.799 -0.239 17879 6370 1 10 . 1 1 83 83 ASP CA C 82 55.638 55.638 55.099 0.539 17879 6371 1 10 . 1 1 83 83 ASP CB C 82 39.564 39.564 39.339 0.225 17879 6372 1 10 . 1 1 83 83 ASP H H 82 8.772 8.772 8.443 0.329 17879 6373 1 10 . 1 1 84 84 THR N N 83 112.567 112.567 113.715 -1.148 17879 6374 1 10 . 1 1 84 84 THR HA H 83 4.715 4.715 4.596 0.119 17879 6375 1 10 . 1 1 84 84 THR C C 83 172.200 172.200 172.972 -0.772 17879 6376 1 10 . 1 1 84 84 THR CA C 83 60.868 60.868 60.997 -0.129 17879 6377 1 10 . 1 1 84 84 THR CB C 83 72.206 72.206 71.575 0.631 17879 6378 1 10 . 1 1 84 84 THR H H 83 8.080 8.080 7.252 0.828 17879 6379 1 10 . 1 1 85 85 LEU N N 84 125.810 125.810 127.628 -1.818 17879 6380 1 10 . 1 1 85 85 LEU HA H 84 5.127 5.127 4.952 0.175 17879 6381 1 10 . 1 1 85 85 LEU CA C 84 51.927 51.927 51.657 0.270 17879 6382 1 10 . 1 1 85 85 LEU CB C 84 42.779 42.779 43.475 -0.696 17879 6383 1 10 . 1 1 85 85 LEU H H 84 8.520 8.520 8.557 -0.037 17879 6384 1 10 . 1 1 86 86 PRO HA H 85 4.835 4.835 4.779 0.056 17879 6385 1 10 . 1 1 86 86 PRO CA C 85 60.910 60.910 61.176 -0.266 17879 6386 1 10 . 1 1 86 86 PRO CB C 85 30.852 30.852 31.133 -0.281 17879 6387 1 10 . 1 1 87 87 PRO HA H 86 4.577 4.577 4.557 0.020 17879 6388 1 10 . 1 1 87 87 PRO C C 86 177.830 177.830 177.254 0.576 17879 6389 1 10 . 1 1 87 87 PRO CA C 86 62.424 62.424 62.333 0.091 17879 6390 1 10 . 1 1 87 87 PRO CB C 86 31.910 31.910 32.197 -0.287 17879 6391 1 10 . 1 1 88 88 THR N N 87 114.642 114.642 110.316 4.326 17879 6392 1 10 . 1 1 88 88 THR HA H 87 3.802 3.802 4.238 -0.436 17879 6393 1 10 . 1 1 88 88 THR C C 87 175.702 175.702 175.918 -0.216 17879 6394 1 10 . 1 1 88 88 THR CA C 87 65.079 65.079 64.683 0.396 17879 6395 1 10 . 1 1 88 88 THR CB C 87 68.818 68.818 68.538 0.280 17879 6396 1 10 . 1 1 88 88 THR H H 87 8.291 8.291 8.153 0.138 17879 6397 1 10 . 1 1 89 89 ALA N N 88 119.706 119.706 123.091 -3.385 17879 6398 1 10 . 1 1 89 89 ALA HA H 88 4.420 4.420 4.298 0.122 17879 6399 1 10 . 1 1 89 89 ALA C C 88 177.690 177.690 177.811 -0.121 17879 6400 1 10 . 1 1 89 89 ALA CA C 88 52.118 52.118 52.353 -0.235 17879 6401 1 10 . 1 1 89 89 ALA CB C 88 19.334 19.334 17.666 1.668 17879 6402 1 10 . 1 1 89 89 ALA H H 88 8.031 8.031 8.183 -0.152 17879 6403 1 10 . 1 1 90 90 ALA N N 89 120.388 120.388 123.147 -2.759 17879 6404 1 10 . 1 1 90 90 ALA HA H 89 4.179 4.179 4.291 -0.112 17879 6405 1 10 . 1 1 90 90 ALA C C 89 176.520 176.520 176.288 0.232 17879 6406 1 10 . 1 1 90 90 ALA CA C 89 52.454 52.454 50.924 1.530 17879 6407 1 10 . 1 1 90 90 ALA CB C 89 19.301 19.301 17.107 2.194 17879 6408 1 10 . 1 1 90 90 ALA H H 89 7.465 7.465 7.317 0.148 17879 6409 1 10 . 1 1 91 91 LEU N N 90 119.307 119.307 121.102 -1.795 17879 6410 1 10 . 1 1 91 91 LEU HA H 90 4.490 4.490 3.916 0.574 17879 6411 1 10 . 1 1 91 91 LEU C C 90 179.555 179.555 178.478 1.077 17879 6412 1 10 . 1 1 91 91 LEU CA C 90 54.578 54.578 56.014 -1.436 17879 6413 1 10 . 1 1 91 91 LEU CB C 90 42.689 42.689 41.597 1.092 17879 6414 1 10 . 1 1 91 91 LEU H H 90 8.458 8.458 8.431 0.027 17879 6415 1 10 . 1 1 92 92 MET N N 91 121.586 121.586 122.923 -1.337 17879 6416 1 10 . 1 1 92 92 MET HA H 91 4.231 4.231 4.045 0.186 17879 6417 1 10 . 1 1 92 92 MET C C 91 178.860 178.860 178.620 0.240 17879 6418 1 10 . 1 1 92 92 MET CA C 91 56.938 56.938 57.642 -0.704 17879 6419 1 10 . 1 1 92 92 MET CB C 91 29.372 29.372 30.833 -1.461 17879 6420 1 10 . 1 1 92 92 MET H H 91 9.203 9.203 8.678 0.525 17879 6421 1 10 . 1 1 93 93 SER N N 92 112.826 112.826 114.635 -1.809 17879 6422 1 10 . 1 1 93 93 SER HA H 92 3.978 3.978 4.217 -0.239 17879 6423 1 10 . 1 1 93 93 SER C C 92 176.318 176.318 175.826 0.492 17879 6424 1 10 . 1 1 93 93 SER CA C 92 60.871 60.871 60.081 0.790 17879 6425 1 10 . 1 1 93 93 SER CB C 92 61.575 61.575 63.004 -1.429 17879 6426 1 10 . 1 1 93 93 SER H H 92 8.717 8.717 8.526 0.191 17879 6427 1 10 . 1 1 94 94 ALA N N 93 126.735 126.735 122.324 4.411 17879 6428 1 10 . 1 1 94 94 ALA HA H 93 4.357 4.357 4.329 0.028 17879 6429 1 10 . 1 1 94 94 ALA C C 93 180.789 180.789 178.226 2.563 17879 6430 1 10 . 1 1 94 94 ALA CA C 93 54.841 54.841 53.246 1.595 17879 6431 1 10 . 1 1 94 94 ALA CB C 93 18.603 18.603 19.557 -0.954 17879 6432 1 10 . 1 1 94 94 ALA H H 93 7.058 7.058 8.183 -1.125 17879 6433 1 10 . 1 1 95 95 ILE N N 94 118.720 118.720 118.706 0.014 17879 6434 1 10 . 1 1 95 95 ILE HA H 94 4.063 4.063 3.925 0.138 17879 6435 1 10 . 1 1 95 95 ILE C C 94 178.326 178.326 176.958 1.368 17879 6436 1 10 . 1 1 95 95 ILE CA C 94 62.755 62.755 63.106 -0.351 17879 6437 1 10 . 1 1 95 95 ILE CB C 94 36.410 36.410 38.206 -1.796 17879 6438 1 10 . 1 1 95 95 ILE H H 94 7.872 7.872 7.724 0.148 17879 6439 1 10 . 1 1 96 96 TYR N N 95 120.697 120.697 119.870 0.827 17879 6440 1 10 . 1 1 96 96 TYR HA H 95 4.007 4.007 4.126 -0.119 17879 6441 1 10 . 1 1 96 96 TYR C C 95 176.022 176.022 176.135 -0.113 17879 6442 1 10 . 1 1 96 96 TYR CA C 95 62.187 62.187 60.430 1.757 17879 6443 1 10 . 1 1 96 96 TYR CB C 95 39.093 39.093 38.666 0.427 17879 6444 1 10 . 1 1 96 96 TYR H H 95 8.841 8.841 8.150 0.691 17879 6445 1 10 . 1 1 97 97 GLN N N 96 114.982 114.982 116.469 -1.487 17879 6446 1 10 . 1 1 97 97 GLN HA H 96 3.778 3.778 4.278 -0.500 17879 6447 1 10 . 1 1 97 97 GLN C C 96 177.250 177.250 176.230 1.020 17879 6448 1 10 . 1 1 97 97 GLN CA C 96 58.719 58.719 56.789 1.930 17879 6449 1 10 . 1 1 97 97 GLN CB C 96 28.286 28.286 28.852 -0.566 17879 6450 1 10 . 1 1 97 97 GLN H H 96 7.757 7.757 8.180 -0.423 17879 6451 1 10 . 1 1 98 98 GLU N N 97 114.340 114.340 118.436 -4.096 17879 6452 1 10 . 1 1 98 98 GLU HA H 97 4.099 4.099 4.266 -0.167 17879 6453 1 10 . 1 1 98 98 GLU C C 97 178.140 178.140 177.051 1.089 17879 6454 1 10 . 1 1 98 98 GLU CA C 97 57.886 57.886 56.720 1.166 17879 6455 1 10 . 1 1 98 98 GLU CB C 97 31.589 31.589 31.144 0.445 17879 6456 1 10 . 1 1 98 98 GLU H H 97 7.117 7.117 7.860 -0.743 17879 6457 1 10 . 1 1 99 99 HIS N N 98 113.377 113.377 118.027 -4.650 17879 6458 1 10 . 1 1 99 99 HIS HA H 98 4.829 4.829 4.773 0.056 17879 6459 1 10 . 1 1 99 99 HIS C C 98 175.856 175.856 174.060 1.796 17879 6460 1 10 . 1 1 99 99 HIS CA C 98 56.738 56.738 54.763 1.975 17879 6461 1 10 . 1 1 99 99 HIS CB C 98 32.930 32.930 30.256 2.674 17879 6462 1 10 . 1 1 99 99 HIS H H 98 8.247 8.247 8.033 0.214 17879 6463 1 10 . 1 1 100 100 LYS N N 99 120.905 120.905 118.978 1.927 17879 6464 1 10 . 1 1 100 100 LYS HA H 99 3.994 3.994 3.769 0.225 17879 6465 1 10 . 1 1 100 100 LYS C C 99 174.832 174.832 175.688 -0.856 17879 6466 1 10 . 1 1 100 100 LYS CA C 99 57.693 57.693 56.599 1.093 17879 6467 1 10 . 1 1 100 100 LYS CB C 99 31.703 31.703 32.338 -0.635 17879 6468 1 10 . 1 1 100 100 LYS H H 99 8.065 8.065 7.640 0.425 17879 6469 1 10 . 1 1 101 101 ASP N N 100 124.188 124.188 121.513 2.675 17879 6470 1 10 . 1 1 101 101 ASP HA H 100 4.765 4.765 4.907 -0.142 17879 6471 1 10 . 1 1 101 101 ASP C C 100 177.692 177.692 176.351 1.341 17879 6472 1 10 . 1 1 101 101 ASP CA C 100 54.030 54.030 52.141 1.889 17879 6473 1 10 . 1 1 101 101 ASP CB C 100 43.429 43.429 43.474 -0.045 17879 6474 1 10 . 1 1 101 101 ASP H H 100 9.027 9.027 7.876 1.151 17879 6475 1 10 . 1 1 102 102 LYS N N 101 125.898 125.898 119.726 6.172 17879 6476 1 10 . 1 1 102 102 LYS HA H 101 4.239 4.239 4.174 0.065 17879 6477 1 10 . 1 1 102 102 LYS C C 101 178.053 178.053 177.094 0.959 17879 6478 1 10 . 1 1 102 102 LYS CA C 101 59.482 59.482 59.366 0.116 17879 6479 1 10 . 1 1 102 102 LYS CB C 101 32.821 32.821 32.551 0.270 17879 6480 1 10 . 1 1 102 102 LYS H H 101 8.678 8.678 8.921 -0.243 17879 6481 1 10 . 1 1 103 103 ASP N N 102 119.326 119.326 115.646 3.680 17879 6482 1 10 . 1 1 103 103 ASP HA H 102 4.127 4.127 4.698 -0.571 17879 6483 1 10 . 1 1 103 103 ASP C C 102 176.833 176.833 177.382 -0.549 17879 6484 1 10 . 1 1 103 103 ASP CA C 102 54.666 54.666 54.944 -0.278 17879 6485 1 10 . 1 1 103 103 ASP CB C 102 39.848 39.848 40.352 -0.504 17879 6486 1 10 . 1 1 103 103 ASP H H 102 10.276 10.276 8.713 1.563 17879 6487 1 10 . 1 1 104 104 GLY N N 103 106.059 106.059 107.203 -1.144 17879 6488 1 10 . 1 1 104 104 GLY C C 103 174.655 174.655 174.919 -0.264 17879 6489 1 10 . 1 1 104 104 GLY CA C 103 45.319 45.319 45.437 -0.117 17879 6490 1 10 . 1 1 104 104 GLY H H 103 8.173 8.173 7.586 0.587 17879 6491 1 10 . 1 1 105 105 PHE N N 104 121.781 121.781 121.324 0.457 17879 6492 1 10 . 1 1 105 105 PHE HA H 104 4.682 4.682 4.567 0.115 17879 6493 1 10 . 1 1 105 105 PHE C C 104 174.830 174.830 176.129 -1.299 17879 6494 1 10 . 1 1 105 105 PHE CA C 104 59.377 59.377 60.245 -0.868 17879 6495 1 10 . 1 1 105 105 PHE CB C 104 39.938 39.938 39.492 0.446 17879 6496 1 10 . 1 1 105 105 PHE H H 104 9.600 9.600 8.023 1.577 17879 6497 1 10 . 1 1 106 106 LEU N N 105 119.929 119.929 120.897 -0.968 17879 6498 1 10 . 1 1 106 106 LEU HA H 105 4.897 4.897 4.420 0.477 17879 6499 1 10 . 1 1 106 106 LEU C C 105 173.947 173.947 175.915 -1.968 17879 6500 1 10 . 1 1 106 106 LEU CA C 105 53.463 53.463 53.687 -0.224 17879 6501 1 10 . 1 1 106 106 LEU CB C 105 45.066 45.066 43.909 1.157 17879 6502 1 10 . 1 1 106 106 LEU H H 105 8.376 8.376 8.803 -0.427 17879 6503 1 10 . 1 1 107 107 TYR N N 106 127.637 127.637 123.232 4.405 17879 6504 1 10 . 1 1 107 107 TYR HA H 106 4.992 4.992 4.714 0.278 17879 6505 1 10 . 1 1 107 107 TYR C C 106 176.099 176.099 174.702 1.397 17879 6506 1 10 . 1 1 107 107 TYR CA C 106 58.893 58.893 57.312 1.581 17879 6507 1 10 . 1 1 107 107 TYR CB C 106 38.140 38.140 37.782 0.358 17879 6508 1 10 . 1 1 107 107 TYR H H 106 9.124 9.124 8.668 0.456 17879 6509 1 10 . 1 1 108 108 VAL N N 107 121.630 121.630 121.993 -0.363 17879 6510 1 10 . 1 1 108 108 VAL HA H 107 5.135 5.135 4.564 0.571 17879 6511 1 10 . 1 1 108 108 VAL C C 107 175.722 175.722 175.050 0.672 17879 6512 1 10 . 1 1 108 108 VAL CA C 107 59.587 59.587 60.074 -0.487 17879 6513 1 10 . 1 1 108 108 VAL CB C 107 34.787 34.787 34.475 0.312 17879 6514 1 10 . 1 1 108 108 VAL H H 107 9.560 9.560 8.115 1.445 17879 6515 1 10 . 1 1 109 109 THR N N 108 119.845 119.845 119.101 0.744 17879 6516 1 10 . 1 1 109 109 THR HA H 108 6.155 6.155 5.256 0.899 17879 6517 1 10 . 1 1 109 109 THR C C 108 174.158 174.158 173.239 0.919 17879 6518 1 10 . 1 1 109 109 THR CA C 108 59.869 59.869 61.872 -2.003 17879 6519 1 10 . 1 1 109 109 THR CB C 108 72.268 72.268 71.271 0.997 17879 6520 1 10 . 1 1 109 109 THR H H 108 9.061 9.061 8.161 0.900 17879 6521 1 10 . 1 1 110 110 TYR N N 109 119.706 119.706 124.681 -4.975 17879 6522 1 10 . 1 1 110 110 TYR HA H 109 6.332 6.332 5.637 0.695 17879 6523 1 10 . 1 1 110 110 TYR C C 109 173.366 173.366 173.616 -0.250 17879 6524 1 10 . 1 1 110 110 TYR CA C 109 54.655 54.655 54.989 -0.334 17879 6525 1 10 . 1 1 110 110 TYR CB C 109 42.250 42.250 40.297 1.953 17879 6526 1 10 . 1 1 110 110 TYR H H 109 8.461 8.461 8.707 -0.246 17879 6527 1 10 . 1 1 111 111 SER N N 110 112.907 112.907 117.265 -4.358 17879 6528 1 10 . 1 1 111 111 SER HA H 110 4.745 4.745 4.922 -0.177 17879 6529 1 10 . 1 1 111 111 SER C C 110 173.692 173.692 175.152 -1.460 17879 6530 1 10 . 1 1 111 111 SER CA C 110 56.044 56.044 55.257 0.787 17879 6531 1 10 . 1 1 111 111 SER CB C 110 66.177 66.177 65.810 0.367 17879 6532 1 10 . 1 1 111 111 SER H H 110 9.089 9.089 9.100 -0.011 17879 6533 1 10 . 1 1 112 112 GLY N N 111 111.054 111.054 108.068 2.986 17879 6534 1 10 . 1 1 112 112 GLY C C 111 173.331 173.331 174.144 -0.813 17879 6535 1 10 . 1 1 112 112 GLY CA C 111 45.341 45.341 44.940 0.401 17879 6536 1 10 . 1 1 112 112 GLY H H 111 8.443 8.443 8.724 -0.281 17879 6537 1 10 . 1 1 113 113 GLU N N 112 118.801 118.801 119.557 -0.756 17879 6538 1 10 . 1 1 113 113 GLU HA H 112 4.660 4.660 4.630 0.030 17879 6539 1 10 . 1 1 113 113 GLU C C 112 174.538 174.538 174.972 -0.434 17879 6540 1 10 . 1 1 113 113 GLU CA C 112 55.642 55.642 55.044 0.598 17879 6541 1 10 . 1 1 113 113 GLU CB C 112 32.930 32.930 32.071 0.859 17879 6542 1 10 . 1 1 113 113 GLU H H 112 8.413 8.413 8.068 0.345 17879 6543 1 10 . 1 1 114 114 ASN N N 113 118.152 118.152 118.454 -0.302 17879 6544 1 10 . 1 1 114 114 ASN HA H 113 4.187 4.187 4.326 -0.139 17879 6545 1 10 . 1 1 114 114 ASN C C 113 175.011 175.011 174.605 0.406 17879 6546 1 10 . 1 1 114 114 ASN CA C 113 51.910 51.910 53.566 -1.656 17879 6547 1 10 . 1 1 114 114 ASN CB C 113 36.865 36.865 38.165 -1.300 17879 6548 1 10 . 1 1 114 114 ASN H H 113 8.207 8.207 8.502 -0.295 17879 6549 1 10 . 1 1 115 115 THR N N 114 112.887 112.887 115.754 -2.867 17879 6550 1 10 . 1 1 115 115 THR HA H 114 4.190 4.190 4.693 -0.503 17879 6551 1 10 . 1 1 115 115 THR C C 114 173.575 173.575 173.683 -0.108 17879 6552 1 10 . 1 1 115 115 THR CA C 114 61.149 61.149 61.102 0.046 17879 6553 1 10 . 1 1 115 115 THR CB C 114 69.859 69.859 70.263 -0.404 17879 6554 1 10 . 1 1 115 115 THR H H 114 7.411 7.411 7.552 -0.141 17879 6555 1 10 . 1 1 116 116 PHE N N 115 121.474 121.474 116.170 5.304 17879 6556 1 10 . 1 1 116 116 PHE HA H 115 4.451 4.451 4.708 -0.257 17879 6557 1 10 . 1 1 116 116 PHE C C 115 175.078 175.078 174.643 0.435 17879 6558 1 10 . 1 1 116 116 PHE CA C 115 57.681 57.681 55.758 1.923 17879 6559 1 10 . 1 1 116 116 PHE CB C 115 39.569 39.569 39.737 -0.168 17879 6560 1 10 . 1 1 116 116 PHE H H 115 8.021 8.021 7.708 0.313 17879 6561 1 11 . 1 1 2 2 MET N N 1 122.410 122.410 120.412 1.998 17879 6562 1 11 . 1 1 2 2 MET HA H 1 4.455 4.455 4.989 -0.534 17879 6563 1 11 . 1 1 2 2 MET C C 1 175.655 175.655 174.959 0.696 17879 6564 1 11 . 1 1 2 2 MET CA C 1 55.438 55.438 54.665 0.773 17879 6565 1 11 . 1 1 2 2 MET CB C 1 33.126 33.126 35.593 -2.467 17879 6566 1 11 . 1 1 2 2 MET H H 1 8.425 8.425 8.256 0.169 17879 6567 1 11 . 1 1 3 3 LYS N N 2 123.656 123.656 118.304 5.352 17879 6568 1 11 . 1 1 3 3 LYS HA H 2 4.326 4.326 4.624 -0.298 17879 6569 1 11 . 1 1 3 3 LYS C C 2 176.266 176.266 176.080 0.186 17879 6570 1 11 . 1 1 3 3 LYS CA C 2 56.348 56.348 56.360 -0.012 17879 6571 1 11 . 1 1 3 3 LYS CB C 2 33.219 33.219 34.043 -0.824 17879 6572 1 11 . 1 1 3 3 LYS H H 2 8.512 8.512 8.381 0.131 17879 6573 1 11 . 1 1 4 4 SER N N 3 118.350 118.350 116.103 2.247 17879 6574 1 11 . 1 1 4 4 SER HA H 3 4.631 4.631 4.571 0.060 17879 6575 1 11 . 1 1 4 4 SER C C 3 175.421 175.421 174.284 1.137 17879 6576 1 11 . 1 1 4 4 SER CA C 3 57.629 57.629 57.924 -0.295 17879 6577 1 11 . 1 1 4 4 SER CB C 3 64.079 64.079 64.159 -0.079 17879 6578 1 11 . 1 1 4 4 SER H H 3 8.426 8.426 7.950 0.476 17879 6579 1 11 . 1 1 5 5 THR N N 4 127.775 127.775 114.201 13.574 17879 6580 1 11 . 1 1 5 5 THR HA H 4 4.482 4.482 4.373 0.109 17879 6581 1 11 . 1 1 5 5 THR C C 4 174.680 174.680 175.190 -0.510 17879 6582 1 11 . 1 1 5 5 THR CA C 4 62.001 62.001 62.489 -0.488 17879 6583 1 11 . 1 1 5 5 THR CB C 4 70.137 70.137 69.900 0.237 17879 6584 1 11 . 1 1 5 5 THR H H 4 9.971 9.971 8.338 1.633 17879 6585 1 11 . 1 1 6 6 PHE N N 5 123.021 123.021 122.011 1.010 17879 6586 1 11 . 1 1 6 6 PHE HA H 5 4.125 4.125 4.187 -0.062 17879 6587 1 11 . 1 1 6 6 PHE C C 5 177.064 177.064 175.850 1.214 17879 6588 1 11 . 1 1 6 6 PHE CA C 5 63.041 63.041 59.821 3.220 17879 6589 1 11 . 1 1 6 6 PHE CB C 5 40.828 40.828 38.715 2.112 17879 6590 1 11 . 1 1 6 6 PHE H H 5 8.863 8.863 8.634 0.229 17879 6591 1 11 . 1 1 7 7 LYS N N 6 114.006 114.006 116.546 -2.540 17879 6592 1 11 . 1 1 7 7 LYS HA H 6 3.916 3.916 3.658 0.258 17879 6593 1 11 . 1 1 7 7 LYS C C 6 177.535 177.535 176.703 0.832 17879 6594 1 11 . 1 1 7 7 LYS CA C 6 60.026 60.026 57.093 2.933 17879 6595 1 11 . 1 1 7 7 LYS CB C 6 33.611 33.611 32.276 1.335 17879 6596 1 11 . 1 1 7 7 LYS H H 6 8.661 8.661 7.935 0.726 17879 6597 1 11 . 1 1 8 8 SER N N 7 111.149 111.149 113.615 -2.466 17879 6598 1 11 . 1 1 8 8 SER HA H 7 4.275 4.275 4.236 0.039 17879 6599 1 11 . 1 1 8 8 SER C C 7 175.689 175.689 175.325 0.364 17879 6600 1 11 . 1 1 8 8 SER CA C 7 60.007 60.007 59.857 0.150 17879 6601 1 11 . 1 1 8 8 SER CB C 7 63.759 63.759 62.685 1.074 17879 6602 1 11 . 1 1 8 8 SER H H 7 7.552 7.552 7.761 -0.209 17879 6603 1 11 . 1 1 9 9 GLU N N 8 122.296 122.296 119.823 2.473 17879 6604 1 11 . 1 1 9 9 GLU HA H 8 3.818 3.818 4.189 -0.371 17879 6605 1 11 . 1 1 9 9 GLU C C 8 176.068 176.068 175.786 0.282 17879 6606 1 11 . 1 1 9 9 GLU CA C 8 58.137 58.137 57.780 0.357 17879 6607 1 11 . 1 1 9 9 GLU CB C 8 30.965 30.965 30.793 0.172 17879 6608 1 11 . 1 1 9 9 GLU H H 8 7.924 7.924 7.561 0.363 17879 6609 1 11 . 1 1 10 10 TYR N N 9 115.131 115.131 115.621 -0.490 17879 6610 1 11 . 1 1 10 10 TYR HA H 9 5.066 5.066 4.941 0.125 17879 6611 1 11 . 1 1 10 10 TYR CA C 9 53.958 53.958 53.895 0.063 17879 6612 1 11 . 1 1 10 10 TYR CB C 9 41.055 41.055 38.266 2.789 17879 6613 1 11 . 1 1 10 10 TYR H H 9 7.052 7.052 6.760 0.292 17879 6614 1 11 . 1 1 11 11 PRO HA H 10 4.708 4.708 4.591 0.117 17879 6615 1 11 . 1 1 11 11 PRO C C 10 177.384 177.384 177.163 0.221 17879 6616 1 11 . 1 1 11 11 PRO CA C 10 62.279 62.279 61.857 0.422 17879 6617 1 11 . 1 1 11 11 PRO CB C 10 33.087 33.087 32.725 0.362 17879 6618 1 11 . 1 1 12 12 PHE N N 11 125.307 125.307 121.596 3.711 17879 6619 1 11 . 1 1 12 12 PHE HA H 11 3.883 3.883 4.157 -0.274 17879 6620 1 11 . 1 1 12 12 PHE C C 11 176.157 176.157 177.186 -1.029 17879 6621 1 11 . 1 1 12 12 PHE CA C 11 63.156 63.156 62.325 0.831 17879 6622 1 11 . 1 1 12 12 PHE CB C 11 39.935 39.935 39.230 0.705 17879 6623 1 11 . 1 1 12 12 PHE H H 11 9.385 9.385 8.659 0.726 17879 6624 1 11 . 1 1 13 13 GLU N N 12 115.356 115.356 118.329 -2.973 17879 6625 1 11 . 1 1 13 13 GLU HA H 12 3.857 3.857 3.873 -0.016 17879 6626 1 11 . 1 1 13 13 GLU C C 12 179.598 179.598 178.683 0.915 17879 6627 1 11 . 1 1 13 13 GLU CA C 12 60.317 60.317 60.086 0.231 17879 6628 1 11 . 1 1 13 13 GLU CB C 12 28.642 28.642 28.914 -0.272 17879 6629 1 11 . 1 1 13 13 GLU H H 12 9.800 9.800 9.156 0.644 17879 6630 1 11 . 1 1 14 14 LYS N N 13 118.194 118.194 117.553 0.641 17879 6631 1 11 . 1 1 14 14 LYS HA H 13 4.246 4.246 3.993 0.253 17879 6632 1 11 . 1 1 14 14 LYS C C 13 178.804 178.804 178.798 0.006 17879 6633 1 11 . 1 1 14 14 LYS CA C 13 58.143 58.143 58.937 -0.794 17879 6634 1 11 . 1 1 14 14 LYS CB C 13 32.770 32.770 31.694 1.077 17879 6635 1 11 . 1 1 14 14 LYS H H 13 7.160 7.160 8.186 -1.026 17879 6636 1 11 . 1 1 15 15 ARG N N 14 120.949 120.949 119.598 1.351 17879 6637 1 11 . 1 1 15 15 ARG HA H 14 3.892 3.892 3.780 0.112 17879 6638 1 11 . 1 1 15 15 ARG C C 14 176.858 176.858 178.319 -1.461 17879 6639 1 11 . 1 1 15 15 ARG CA C 14 61.520 61.520 58.607 2.913 17879 6640 1 11 . 1 1 15 15 ARG CB C 14 32.840 32.840 29.356 3.484 17879 6641 1 11 . 1 1 15 15 ARG H H 14 7.686 7.686 7.629 0.057 17879 6642 1 11 . 1 1 16 16 LYS N N 15 119.224 119.224 119.102 0.122 17879 6643 1 11 . 1 1 16 16 LYS HA H 15 4.449 4.449 4.132 0.317 17879 6644 1 11 . 1 1 16 16 LYS C C 15 177.796 177.796 179.209 -1.413 17879 6645 1 11 . 1 1 16 16 LYS CA C 15 57.366 57.366 59.067 -1.701 17879 6646 1 11 . 1 1 16 16 LYS CB C 15 32.529 32.529 31.487 1.042 17879 6647 1 11 . 1 1 16 16 LYS H H 15 8.667 8.667 7.727 0.940 17879 6648 1 11 . 1 1 17 17 ALA N N 16 117.777 117.777 122.016 -4.239 17879 6649 1 11 . 1 1 17 17 ALA HA H 16 4.164 4.164 4.228 -0.064 17879 6650 1 11 . 1 1 17 17 ALA C C 16 180.641 180.641 179.098 1.543 17879 6651 1 11 . 1 1 17 17 ALA CA C 16 54.627 54.627 54.935 -0.308 17879 6652 1 11 . 1 1 17 17 ALA CB C 16 18.114 18.114 17.858 0.256 17879 6653 1 11 . 1 1 17 17 ALA H H 16 7.305 7.305 7.676 -0.371 17879 6654 1 11 . 1 1 18 18 GLU N N 17 119.934 119.934 117.808 2.126 17879 6655 1 11 . 1 1 18 18 GLU HA H 17 4.695 4.695 3.987 0.708 17879 6656 1 11 . 1 1 18 18 GLU C C 17 178.339 178.339 178.931 -0.592 17879 6657 1 11 . 1 1 18 18 GLU CA C 17 58.173 58.173 59.233 -1.060 17879 6658 1 11 . 1 1 18 18 GLU CB C 17 28.765 28.765 29.479 -0.714 17879 6659 1 11 . 1 1 18 18 GLU H H 17 7.849 7.849 8.387 -0.538 17879 6660 1 11 . 1 1 19 19 SER N N 18 117.685 117.685 113.825 3.860 17879 6661 1 11 . 1 1 19 19 SER HA H 18 3.542 3.542 4.319 -0.777 17879 6662 1 11 . 1 1 19 19 SER C C 18 178.206 178.206 176.601 1.605 17879 6663 1 11 . 1 1 19 19 SER CA C 18 62.108 62.108 60.570 1.538 17879 6664 1 11 . 1 1 19 19 SER CB C 18 59.839 59.839 63.277 -3.438 17879 6665 1 11 . 1 1 19 19 SER H H 18 8.785 8.785 8.358 0.427 17879 6666 1 11 . 1 1 20 20 GLU N N 19 124.346 124.346 122.261 2.085 17879 6667 1 11 . 1 1 20 20 GLU HA H 19 3.988 3.988 4.142 -0.154 17879 6668 1 11 . 1 1 20 20 GLU C C 19 178.788 178.788 178.086 0.702 17879 6669 1 11 . 1 1 20 20 GLU CA C 19 59.701 59.701 58.828 0.873 17879 6670 1 11 . 1 1 20 20 GLU CB C 19 29.318 29.318 29.699 -0.381 17879 6671 1 11 . 1 1 20 20 GLU H H 19 8.052 8.052 8.330 -0.278 17879 6672 1 11 . 1 1 21 21 ARG N N 20 122.089 122.089 116.665 5.424 17879 6673 1 11 . 1 1 21 21 ARG HA H 20 4.093 4.093 4.378 -0.285 17879 6674 1 11 . 1 1 21 21 ARG C C 20 179.458 179.458 178.085 1.373 17879 6675 1 11 . 1 1 21 21 ARG CA C 20 59.500 59.500 57.967 1.534 17879 6676 1 11 . 1 1 21 21 ARG CB C 20 30.412 30.412 30.626 -0.214 17879 6677 1 11 . 1 1 21 21 ARG H H 20 7.958 7.958 7.682 0.276 17879 6678 1 11 . 1 1 22 22 ILE N N 21 119.893 119.893 121.064 -1.171 17879 6679 1 11 . 1 1 22 22 ILE HA H 21 3.623 3.623 3.647 -0.024 17879 6680 1 11 . 1 1 22 22 ILE C C 21 176.842 176.842 177.488 -0.646 17879 6681 1 11 . 1 1 22 22 ILE CA C 21 65.145 65.145 64.459 0.686 17879 6682 1 11 . 1 1 22 22 ILE CB C 21 38.195 38.195 37.683 0.512 17879 6683 1 11 . 1 1 22 22 ILE H H 21 8.277 8.277 8.453 -0.176 17879 6684 1 11 . 1 1 23 23 ALA N N 22 121.816 121.816 120.647 1.169 17879 6685 1 11 . 1 1 23 23 ALA HA H 22 4.071 4.071 4.174 -0.103 17879 6686 1 11 . 1 1 23 23 ALA C C 22 179.199 179.199 177.598 1.601 17879 6687 1 11 . 1 1 23 23 ALA CA C 22 54.519 54.519 53.871 0.648 17879 6688 1 11 . 1 1 23 23 ALA CB C 22 18.001 18.001 18.629 -0.628 17879 6689 1 11 . 1 1 23 23 ALA H H 22 7.962 7.962 7.820 0.142 17879 6690 1 11 . 1 1 24 24 ASP N N 23 114.866 114.866 117.173 -2.307 17879 6691 1 11 . 1 1 24 24 ASP HA H 23 4.401 4.401 4.563 -0.162 17879 6692 1 11 . 1 1 24 24 ASP C C 23 177.324 177.324 177.650 -0.326 17879 6693 1 11 . 1 1 24 24 ASP CA C 23 56.248 56.248 54.710 1.538 17879 6694 1 11 . 1 1 24 24 ASP CB C 23 42.193 42.193 41.850 0.343 17879 6695 1 11 . 1 1 24 24 ASP H H 23 7.368 7.368 7.672 -0.304 17879 6696 1 11 . 1 1 25 25 ARG N N 24 116.868 116.868 118.514 -1.646 17879 6697 1 11 . 1 1 25 25 ARG HA H 24 3.922 3.922 4.122 -0.200 17879 6698 1 11 . 1 1 25 25 ARG C C 24 176.266 176.266 176.585 -0.319 17879 6699 1 11 . 1 1 25 25 ARG CA C 24 57.158 57.158 57.380 -0.222 17879 6700 1 11 . 1 1 25 25 ARG CB C 24 31.477 31.477 31.597 -0.120 17879 6701 1 11 . 1 1 25 25 ARG H H 24 7.815 7.815 7.865 -0.050 17879 6702 1 11 . 1 1 26 26 PHE N N 25 116.737 116.737 117.023 -0.286 17879 6703 1 11 . 1 1 26 26 PHE HA H 25 5.084 5.084 4.994 0.090 17879 6704 1 11 . 1 1 26 26 PHE CA C 25 54.304 54.304 54.191 0.113 17879 6705 1 11 . 1 1 26 26 PHE CB C 25 39.026 39.026 38.788 0.238 17879 6706 1 11 . 1 1 26 26 PHE H H 25 8.658 8.658 7.535 1.123 17879 6707 1 11 . 1 1 27 27 PRO HA H 26 4.503 4.503 4.398 0.105 17879 6708 1 11 . 1 1 27 27 PRO C C 26 177.538 177.538 176.577 0.961 17879 6709 1 11 . 1 1 27 27 PRO CA C 26 64.394 64.394 63.976 0.418 17879 6710 1 11 . 1 1 27 27 PRO CB C 26 31.961 31.961 32.160 -0.199 17879 6711 1 11 . 1 1 28 28 ASN N N 27 114.596 114.596 117.457 -2.861 17879 6712 1 11 . 1 1 28 28 ASN HA H 27 4.725 4.725 4.735 -0.010 17879 6713 1 11 . 1 1 28 28 ASN C C 27 174.678 174.678 174.208 0.470 17879 6714 1 11 . 1 1 28 28 ASN CA C 27 52.868 52.868 52.884 -0.016 17879 6715 1 11 . 1 1 28 28 ASN CB C 27 38.331 38.331 38.114 0.217 17879 6716 1 11 . 1 1 28 28 ASN H H 27 8.537 8.537 8.703 -0.166 17879 6717 1 11 . 1 1 29 29 ARG N N 28 116.946 116.946 119.212 -2.266 17879 6718 1 11 . 1 1 29 29 ARG HA H 28 4.769 4.769 4.872 -0.103 17879 6719 1 11 . 1 1 29 29 ARG C C 28 174.469 174.469 175.314 -0.845 17879 6720 1 11 . 1 1 29 29 ARG CA C 28 52.948 52.948 54.100 -1.152 17879 6721 1 11 . 1 1 29 29 ARG CB C 28 32.941 32.941 33.539 -0.598 17879 6722 1 11 . 1 1 29 29 ARG H H 28 7.580 7.580 7.390 0.190 17879 6723 1 11 . 1 1 30 30 ILE N N 29 121.854 121.854 120.308 1.546 17879 6724 1 11 . 1 1 30 30 ILE HA H 29 4.098 4.098 3.724 0.374 17879 6725 1 11 . 1 1 30 30 ILE CA C 29 55.558 55.558 57.187 -1.629 17879 6726 1 11 . 1 1 30 30 ILE CB C 29 38.805 38.805 39.011 -0.206 17879 6727 1 11 . 1 1 30 30 ILE H H 29 9.262 9.262 8.587 0.675 17879 6728 1 11 . 1 1 31 31 PRO HA H 30 4.856 4.856 4.475 0.381 17879 6729 1 11 . 1 1 31 31 PRO C C 30 174.121 174.121 175.299 -1.178 17879 6730 1 11 . 1 1 31 31 PRO CA C 30 61.705 61.705 62.226 -0.521 17879 6731 1 11 . 1 1 31 31 PRO CB C 30 30.966 30.966 30.096 0.870 17879 6732 1 11 . 1 1 32 32 VAL N N 31 127.197 127.197 123.645 3.552 17879 6733 1 11 . 1 1 32 32 VAL HA H 31 4.997 4.997 4.691 0.306 17879 6734 1 11 . 1 1 32 32 VAL C C 31 174.181 174.181 173.695 0.486 17879 6735 1 11 . 1 1 32 32 VAL CA C 31 60.620 60.620 59.251 1.369 17879 6736 1 11 . 1 1 32 32 VAL CB C 31 35.645 35.645 35.789 -0.144 17879 6737 1 11 . 1 1 32 32 VAL H H 31 9.096 9.096 9.018 0.078 17879 6738 1 11 . 1 1 33 33 ILE N N 32 127.157 127.157 123.868 3.289 17879 6739 1 11 . 1 1 33 33 ILE HA H 32 4.917 4.917 4.671 0.246 17879 6740 1 11 . 1 1 33 33 ILE C C 32 174.991 174.991 175.175 -0.184 17879 6741 1 11 . 1 1 33 33 ILE CA C 32 56.589 56.589 59.605 -3.016 17879 6742 1 11 . 1 1 33 33 ILE CB C 32 35.908 35.908 38.304 -2.396 17879 6743 1 11 . 1 1 33 33 ILE H H 32 8.775 8.775 8.546 0.229 17879 6744 1 11 . 1 1 34 34 CYS N N 33 129.280 129.280 128.167 1.113 17879 6745 1 11 . 1 1 34 34 CYS HA H 33 5.559 5.559 4.554 1.005 17879 6746 1 11 . 1 1 34 34 CYS C C 33 173.218 173.218 173.677 -0.459 17879 6747 1 11 . 1 1 34 34 CYS CA C 33 57.121 57.121 59.124 -2.003 17879 6748 1 11 . 1 1 34 34 CYS CB C 33 28.880 28.880 28.296 0.584 17879 6749 1 11 . 1 1 34 34 CYS H H 33 9.738 9.738 9.385 0.353 17879 6750 1 11 . 1 1 35 35 GLU N N 34 124.130 124.130 127.421 -3.291 17879 6751 1 11 . 1 1 35 35 GLU HA H 34 4.977 4.977 4.753 0.224 17879 6752 1 11 . 1 1 35 35 GLU C C 34 174.190 174.190 174.033 0.157 17879 6753 1 11 . 1 1 35 35 GLU CA C 34 54.308 54.308 54.772 -0.464 17879 6754 1 11 . 1 1 35 35 GLU CB C 34 35.281 35.281 33.721 1.560 17879 6755 1 11 . 1 1 35 35 GLU H H 34 8.531 8.531 8.449 0.082 17879 6756 1 11 . 1 1 36 36 LYS N N 35 123.562 123.562 123.288 0.274 17879 6757 1 11 . 1 1 36 36 LYS HA H 35 3.056 3.056 4.217 -1.161 17879 6758 1 11 . 1 1 36 36 LYS C C 35 177.452 177.452 176.468 0.984 17879 6759 1 11 . 1 1 36 36 LYS CA C 35 56.374 56.374 53.736 2.638 17879 6760 1 11 . 1 1 36 36 LYS CB C 35 32.750 32.750 33.680 -0.930 17879 6761 1 11 . 1 1 36 36 LYS H H 35 8.949 8.949 8.518 0.431 17879 6762 1 11 . 1 1 37 37 ALA N N 36 129.494 129.494 129.877 -0.383 17879 6763 1 11 . 1 1 37 37 ALA HA H 36 4.163 4.163 4.065 0.098 17879 6764 1 11 . 1 1 37 37 ALA C C 36 178.375 178.375 177.019 1.356 17879 6765 1 11 . 1 1 37 37 ALA CA C 36 52.702 52.702 53.269 -0.567 17879 6766 1 11 . 1 1 37 37 ALA CB C 36 18.673 18.673 19.171 -0.498 17879 6767 1 11 . 1 1 37 37 ALA H H 36 8.561 8.561 7.948 0.613 17879 6768 1 11 . 1 1 38 38 GLU N N 37 125.115 125.115 119.115 6.000 17879 6769 1 11 . 1 1 38 38 GLU HA H 37 3.959 3.959 4.164 -0.205 17879 6770 1 11 . 1 1 38 38 GLU C C 37 177.516 177.516 177.288 0.228 17879 6771 1 11 . 1 1 38 38 GLU CA C 37 59.302 59.302 57.740 1.562 17879 6772 1 11 . 1 1 38 38 GLU CB C 37 30.154 30.154 29.817 0.337 17879 6773 1 11 . 1 1 38 38 GLU H H 37 8.648 8.648 8.482 0.166 17879 6774 1 11 . 1 1 39 39 LYS N N 38 115.020 115.020 119.315 -4.295 17879 6775 1 11 . 1 1 39 39 LYS HA H 38 4.188 4.188 4.099 0.089 17879 6776 1 11 . 1 1 39 39 LYS C C 38 176.244 176.244 177.671 -1.427 17879 6777 1 11 . 1 1 39 39 LYS CA C 38 56.564 56.564 57.369 -0.805 17879 6778 1 11 . 1 1 39 39 LYS CB C 38 31.484 31.484 32.075 -0.591 17879 6779 1 11 . 1 1 39 39 LYS H H 38 8.494 8.494 8.048 0.446 17879 6780 1 11 . 1 1 40 40 SER N N 39 113.091 113.091 114.121 -1.030 17879 6781 1 11 . 1 1 40 40 SER HA H 39 4.535 4.535 4.553 -0.018 17879 6782 1 11 . 1 1 40 40 SER C C 39 174.896 174.896 174.421 0.475 17879 6783 1 11 . 1 1 40 40 SER CA C 39 57.985 57.985 58.749 -0.764 17879 6784 1 11 . 1 1 40 40 SER CB C 39 65.000 65.000 63.878 1.122 17879 6785 1 11 . 1 1 40 40 SER H H 39 7.346 7.346 7.754 -0.408 17879 6786 1 11 . 1 1 41 41 ASP N N 40 127.375 127.375 119.751 7.624 17879 6787 1 11 . 1 1 41 41 ASP HA H 40 4.782 4.782 4.805 -0.023 17879 6788 1 11 . 1 1 41 41 ASP C C 40 175.205 175.205 176.126 -0.921 17879 6789 1 11 . 1 1 41 41 ASP CA C 40 53.549 53.549 53.933 -0.384 17879 6790 1 11 . 1 1 41 41 ASP CB C 40 39.916 39.916 41.650 -1.734 17879 6791 1 11 . 1 1 41 41 ASP H H 40 8.744 8.744 8.587 0.157 17879 6792 1 11 . 1 1 42 42 ILE N N 41 122.943 122.943 119.825 3.118 17879 6793 1 11 . 1 1 42 42 ILE HA H 41 4.661 4.661 4.486 0.175 17879 6794 1 11 . 1 1 42 42 ILE CA C 41 59.133 59.133 58.834 0.299 17879 6795 1 11 . 1 1 42 42 ILE CB C 41 40.534 40.534 38.272 2.262 17879 6796 1 11 . 1 1 42 42 ILE H H 41 7.649 7.649 7.274 0.375 17879 6797 1 11 . 1 1 43 43 PRO HA H 42 4.414 4.414 4.608 -0.194 17879 6798 1 11 . 1 1 43 43 PRO C C 42 175.952 175.952 176.681 -0.729 17879 6799 1 11 . 1 1 43 43 PRO CA C 42 63.829 63.829 62.524 1.305 17879 6800 1 11 . 1 1 43 43 PRO CB C 42 32.895 32.895 32.219 0.676 17879 6801 1 11 . 1 1 44 44 GLU N N 43 120.369 120.369 124.274 -3.905 17879 6802 1 11 . 1 1 44 44 GLU HA H 43 4.298 4.298 4.169 0.129 17879 6803 1 11 . 1 1 44 44 GLU C C 43 175.316 175.316 176.284 -0.968 17879 6804 1 11 . 1 1 44 44 GLU CA C 43 56.400 56.400 57.193 -0.793 17879 6805 1 11 . 1 1 44 44 GLU CB C 43 31.282 31.282 30.596 0.686 17879 6806 1 11 . 1 1 44 44 GLU H H 43 8.393 8.393 8.482 -0.089 17879 6807 1 11 . 1 1 45 45 ILE N N 44 123.670 123.670 121.587 2.083 17879 6808 1 11 . 1 1 45 45 ILE HA H 44 4.419 4.419 4.285 0.134 17879 6809 1 11 . 1 1 45 45 ILE C C 44 174.786 174.786 176.438 -1.652 17879 6810 1 11 . 1 1 45 45 ILE CA C 44 61.027 61.027 60.737 0.290 17879 6811 1 11 . 1 1 45 45 ILE CB C 44 40.509 40.509 39.832 0.677 17879 6812 1 11 . 1 1 45 45 ILE H H 44 8.067 8.067 8.221 -0.154 17879 6813 1 11 . 1 1 46 46 ASP N N 45 123.340 123.340 122.422 0.918 17879 6814 1 11 . 1 1 46 46 ASP HA H 45 4.412 4.412 4.591 -0.179 17879 6815 1 11 . 1 1 46 46 ASP C C 45 175.494 175.494 176.067 -0.573 17879 6816 1 11 . 1 1 46 46 ASP CA C 45 55.467 55.467 56.922 -1.455 17879 6817 1 11 . 1 1 46 46 ASP CB C 45 40.320 40.320 41.291 -0.972 17879 6818 1 11 . 1 1 46 46 ASP H H 45 8.468 8.468 8.734 -0.266 17879 6819 1 11 . 1 1 47 47 LYS N N 46 121.295 121.295 115.312 5.983 17879 6820 1 11 . 1 1 47 47 LYS HA H 46 4.428 4.428 4.884 -0.456 17879 6821 1 11 . 1 1 47 47 LYS CA C 46 56.020 56.020 54.665 1.355 17879 6822 1 11 . 1 1 47 47 LYS CB C 46 34.644 34.644 34.776 -0.132 17879 6823 1 11 . 1 1 47 47 LYS H H 46 7.319 7.319 7.656 -0.337 17879 6824 1 11 . 1 1 48 48 ARG N N 47 124.949 124.949 120.876 4.073 17879 6825 1 11 . 1 1 48 48 ARG HA H 47 5.271 5.271 4.938 0.333 17879 6826 1 11 . 1 1 48 48 ARG C C 47 173.546 173.546 174.957 -1.411 17879 6827 1 11 . 1 1 48 48 ARG CA C 47 55.581 55.581 55.481 0.100 17879 6828 1 11 . 1 1 48 48 ARG CB C 47 32.992 32.992 30.560 2.432 17879 6829 1 11 . 1 1 48 48 ARG H H 47 8.558 8.558 8.492 0.066 17879 6830 1 11 . 1 1 49 49 LYS N N 48 122.812 122.812 123.435 -0.623 17879 6831 1 11 . 1 1 49 49 LYS HA H 48 5.030 5.030 4.444 0.586 17879 6832 1 11 . 1 1 49 49 LYS C C 48 174.301 174.301 174.487 -0.186 17879 6833 1 11 . 1 1 49 49 LYS CA C 48 55.042 55.042 56.218 -1.176 17879 6834 1 11 . 1 1 49 49 LYS CB C 48 34.065 34.065 33.585 0.480 17879 6835 1 11 . 1 1 49 49 LYS H H 48 7.440 7.440 8.248 -0.808 17879 6836 1 11 . 1 1 50 50 TYR N N 49 124.842 124.842 126.191 -1.349 17879 6837 1 11 . 1 1 50 50 TYR HA H 49 4.721 4.721 4.669 0.052 17879 6838 1 11 . 1 1 50 50 TYR C C 49 173.674 173.674 174.055 -0.381 17879 6839 1 11 . 1 1 50 50 TYR CA C 49 57.192 57.192 56.807 0.385 17879 6840 1 11 . 1 1 50 50 TYR CB C 49 43.123 43.123 41.359 1.764 17879 6841 1 11 . 1 1 50 50 TYR H H 49 9.590 9.590 9.593 -0.003 17879 6842 1 11 . 1 1 51 51 LEU N N 50 124.138 124.138 127.558 -3.420 17879 6843 1 11 . 1 1 51 51 LEU HA H 50 4.753 4.753 4.686 0.067 17879 6844 1 11 . 1 1 51 51 LEU C C 50 176.050 176.050 175.864 0.186 17879 6845 1 11 . 1 1 51 51 LEU CA C 50 53.158 53.158 53.979 -0.821 17879 6846 1 11 . 1 1 51 51 LEU CB C 50 41.155 41.155 41.074 0.081 17879 6847 1 11 . 1 1 51 51 LEU H H 50 8.901 8.901 8.878 0.023 17879 6848 1 11 . 1 1 52 52 VAL N N 51 123.181 123.181 120.544 2.637 17879 6849 1 11 . 1 1 52 52 VAL HA H 51 3.948 3.948 4.598 -0.650 17879 6850 1 11 . 1 1 52 52 VAL CA C 51 59.724 59.724 59.129 0.595 17879 6851 1 11 . 1 1 52 52 VAL CB C 51 33.605 33.605 32.098 1.507 17879 6852 1 11 . 1 1 52 52 VAL H H 51 8.513 8.513 7.933 0.580 17879 6853 1 11 . 1 1 53 53 PRO HA H 52 4.305 4.305 4.347 -0.042 17879 6854 1 11 . 1 1 53 53 PRO C C 52 176.607 176.607 176.064 0.543 17879 6855 1 11 . 1 1 53 53 PRO CA C 52 63.950 63.950 62.014 1.937 17879 6856 1 11 . 1 1 53 53 PRO CB C 52 32.163 32.163 32.446 -0.283 17879 6857 1 11 . 1 1 54 54 ALA N N 53 123.771 123.771 119.715 4.056 17879 6858 1 11 . 1 1 54 54 ALA HA H 53 3.720 3.720 4.171 -0.451 17879 6859 1 11 . 1 1 54 54 ALA C C 53 176.409 176.409 176.612 -0.203 17879 6860 1 11 . 1 1 54 54 ALA CA C 53 54.742 54.742 52.501 2.241 17879 6861 1 11 . 1 1 54 54 ALA CB C 53 18.948 18.948 18.995 -0.047 17879 6862 1 11 . 1 1 54 54 ALA H H 53 7.926 7.926 8.307 -0.381 17879 6863 1 11 . 1 1 55 55 ASP N N 54 111.152 111.152 117.969 -6.817 17879 6864 1 11 . 1 1 55 55 ASP HA H 54 4.621 4.621 4.632 -0.011 17879 6865 1 11 . 1 1 55 55 ASP C C 54 175.823 175.823 175.331 0.492 17879 6866 1 11 . 1 1 55 55 ASP CA C 54 52.744 52.744 53.837 -1.093 17879 6867 1 11 . 1 1 55 55 ASP CB C 54 39.861 39.861 41.004 -1.143 17879 6868 1 11 . 1 1 55 55 ASP H H 54 8.106 8.106 7.942 0.164 17879 6869 1 11 . 1 1 56 56 LEU N N 55 121.263 121.263 121.917 -0.654 17879 6870 1 11 . 1 1 56 56 LEU HA H 55 4.351 4.351 4.390 -0.039 17879 6871 1 11 . 1 1 56 56 LEU C C 55 177.459 177.459 176.462 0.997 17879 6872 1 11 . 1 1 56 56 LEU CA C 55 55.472 55.472 55.860 -0.388 17879 6873 1 11 . 1 1 56 56 LEU CB C 55 43.593 43.593 42.520 1.073 17879 6874 1 11 . 1 1 56 56 LEU H H 55 7.295 7.295 7.869 -0.574 17879 6875 1 11 . 1 1 57 57 THR N N 56 114.222 114.222 115.644 -1.422 17879 6876 1 11 . 1 1 57 57 THR HA H 56 5.233 5.233 4.662 0.571 17879 6877 1 11 . 1 1 57 57 THR C C 56 176.538 176.538 175.554 0.984 17879 6878 1 11 . 1 1 57 57 THR CA C 56 60.318 60.318 60.567 -0.249 17879 6879 1 11 . 1 1 57 57 THR CB C 56 71.303 71.303 71.000 0.303 17879 6880 1 11 . 1 1 57 57 THR H H 56 8.476 8.476 8.016 0.460 17879 6881 1 11 . 1 1 58 58 VAL N N 57 122.331 122.331 120.702 1.629 17879 6882 1 11 . 1 1 58 58 VAL HA H 57 3.738 3.738 3.989 -0.251 17879 6883 1 11 . 1 1 58 58 VAL C C 57 178.743 178.743 178.175 0.568 17879 6884 1 11 . 1 1 58 58 VAL CA C 57 66.797 66.797 66.129 0.668 17879 6885 1 11 . 1 1 58 58 VAL CB C 57 31.801 31.801 31.891 -0.090 17879 6886 1 11 . 1 1 58 58 VAL H H 57 8.806 8.806 7.963 0.843 17879 6887 1 11 . 1 1 59 59 GLY N N 58 105.470 105.470 105.273 0.197 17879 6888 1 11 . 1 1 59 59 GLY C C 58 176.924 176.924 176.321 0.603 17879 6889 1 11 . 1 1 59 59 GLY CA C 58 47.317 47.317 47.042 0.275 17879 6890 1 11 . 1 1 59 59 GLY H H 58 9.381 9.381 7.986 1.395 17879 6891 1 11 . 1 1 60 60 GLN N N 59 121.492 121.492 119.147 2.345 17879 6892 1 11 . 1 1 60 60 GLN HA H 59 4.166 4.166 4.339 -0.173 17879 6893 1 11 . 1 1 60 60 GLN C C 59 178.605 178.605 177.468 1.137 17879 6894 1 11 . 1 1 60 60 GLN CA C 59 58.764 58.764 57.280 1.484 17879 6895 1 11 . 1 1 60 60 GLN CB C 59 29.129 29.129 29.076 0.053 17879 6896 1 11 . 1 1 60 60 GLN H H 59 8.027 8.027 7.804 0.223 17879 6897 1 11 . 1 1 61 61 PHE N N 60 122.595 122.595 120.993 1.602 17879 6898 1 11 . 1 1 61 61 PHE HA H 60 4.291 4.291 4.325 -0.034 17879 6899 1 11 . 1 1 61 61 PHE C C 60 176.690 176.690 177.188 -0.498 17879 6900 1 11 . 1 1 61 61 PHE CA C 60 61.502 61.502 60.159 1.343 17879 6901 1 11 . 1 1 61 61 PHE CB C 60 39.155 39.155 39.431 -0.276 17879 6902 1 11 . 1 1 61 61 PHE H H 60 8.522 8.522 7.860 0.662 17879 6903 1 11 . 1 1 62 62 VAL N N 61 118.720 118.720 120.093 -1.373 17879 6904 1 11 . 1 1 62 62 VAL HA H 61 3.070 3.070 3.152 -0.082 17879 6905 1 11 . 1 1 62 62 VAL C C 61 176.872 176.872 176.891 -0.019 17879 6906 1 11 . 1 1 62 62 VAL CA C 61 67.040 67.040 66.663 0.377 17879 6907 1 11 . 1 1 62 62 VAL CB C 61 31.119 31.119 31.283 -0.164 17879 6908 1 11 . 1 1 62 62 VAL H H 61 8.705 8.705 8.373 0.332 17879 6909 1 11 . 1 1 63 63 TYR N N 62 118.462 118.462 118.342 0.120 17879 6910 1 11 . 1 1 63 63 TYR HA H 62 3.987 3.987 4.073 -0.086 17879 6911 1 11 . 1 1 63 63 TYR C C 62 177.325 177.325 175.888 1.437 17879 6912 1 11 . 1 1 63 63 TYR CA C 62 61.685 61.685 60.341 1.344 17879 6913 1 11 . 1 1 63 63 TYR CB C 62 37.906 37.906 37.747 0.159 17879 6914 1 11 . 1 1 63 63 TYR H H 62 7.373 7.373 7.926 -0.553 17879 6915 1 11 . 1 1 64 64 VAL N N 63 119.137 119.137 116.229 2.908 17879 6916 1 11 . 1 1 64 64 VAL HA H 63 3.342 3.342 3.229 0.113 17879 6917 1 11 . 1 1 64 64 VAL C C 63 178.326 178.326 177.425 0.901 17879 6918 1 11 . 1 1 64 64 VAL CA C 63 66.615 66.615 64.428 2.187 17879 6919 1 11 . 1 1 64 64 VAL CB C 63 31.157 31.157 31.834 -0.677 17879 6920 1 11 . 1 1 64 64 VAL H H 63 7.376 7.376 7.643 -0.267 17879 6921 1 11 . 1 1 65 65 ILE N N 64 118.858 118.858 120.466 -1.608 17879 6922 1 11 . 1 1 65 65 ILE HA H 64 3.279 3.279 3.763 -0.484 17879 6923 1 11 . 1 1 65 65 ILE C C 64 177.653 177.653 178.297 -0.644 17879 6924 1 11 . 1 1 65 65 ILE CA C 64 63.682 63.682 61.117 2.565 17879 6925 1 11 . 1 1 65 65 ILE CB C 64 36.150 36.150 35.940 0.210 17879 6926 1 11 . 1 1 65 65 ILE H H 64 7.366 7.366 7.649 -0.283 17879 6927 1 11 . 1 1 66 66 ARG N N 65 118.729 118.729 118.673 0.056 17879 6928 1 11 . 1 1 66 66 ARG HA H 65 3.397 3.397 4.022 -0.625 17879 6929 1 11 . 1 1 66 66 ARG C C 65 178.284 178.284 177.391 0.893 17879 6930 1 11 . 1 1 66 66 ARG CA C 65 60.078 60.078 57.811 2.267 17879 6931 1 11 . 1 1 66 66 ARG CB C 65 30.022 30.022 29.795 0.227 17879 6932 1 11 . 1 1 66 66 ARG H H 65 8.463 8.463 8.415 0.048 17879 6933 1 11 . 1 1 67 67 LYS N N 66 116.643 116.643 118.388 -1.745 17879 6934 1 11 . 1 1 67 67 LYS HA H 66 3.951 3.951 4.178 -0.227 17879 6935 1 11 . 1 1 67 67 LYS C C 66 178.989 178.989 178.324 0.665 17879 6936 1 11 . 1 1 67 67 LYS CA C 66 58.347 58.347 58.346 0.001 17879 6937 1 11 . 1 1 67 67 LYS CB C 66 31.938 31.938 32.507 -0.569 17879 6938 1 11 . 1 1 67 67 LYS H H 66 7.536 7.536 7.504 0.032 17879 6939 1 11 . 1 1 68 68 ARG N N 67 119.051 119.051 118.464 0.587 17879 6940 1 11 . 1 1 68 68 ARG HA H 67 4.104 4.104 4.100 0.004 17879 6941 1 11 . 1 1 68 68 ARG C C 67 178.122 178.122 178.374 -0.252 17879 6942 1 11 . 1 1 68 68 ARG CA C 67 58.182 58.182 58.617 -0.435 17879 6943 1 11 . 1 1 68 68 ARG CB C 67 30.273 30.273 30.644 -0.371 17879 6944 1 11 . 1 1 68 68 ARG H H 67 7.783 7.783 7.623 0.160 17879 6945 1 11 . 1 1 69 69 ILE N N 68 112.456 112.456 112.405 0.051 17879 6946 1 11 . 1 1 69 69 ILE HA H 68 4.223 4.223 4.321 -0.098 17879 6947 1 11 . 1 1 69 69 ILE C C 68 174.568 174.568 175.191 -0.623 17879 6948 1 11 . 1 1 69 69 ILE CA C 68 61.502 61.502 60.501 1.002 17879 6949 1 11 . 1 1 69 69 ILE CB C 68 38.643 38.643 38.265 0.378 17879 6950 1 11 . 1 1 69 69 ILE H H 68 7.675 7.675 7.184 0.491 17879 6951 1 11 . 1 1 70 70 MET N N 69 118.509 118.509 114.373 4.136 17879 6952 1 11 . 1 1 70 70 MET HA H 69 3.982 3.982 4.132 -0.150 17879 6953 1 11 . 1 1 70 70 MET C C 69 175.482 175.482 174.820 0.662 17879 6954 1 11 . 1 1 70 70 MET CA C 69 55.811 55.811 55.952 -0.141 17879 6955 1 11 . 1 1 70 70 MET CB C 69 29.392 29.392 30.261 -0.869 17879 6956 1 11 . 1 1 70 70 MET H H 69 7.805 7.805 7.565 0.240 17879 6957 1 11 . 1 1 71 71 LEU N N 70 121.952 121.952 120.491 1.461 17879 6958 1 11 . 1 1 71 71 LEU HA H 70 4.603 4.603 4.257 0.346 17879 6959 1 11 . 1 1 71 71 LEU CA C 70 52.560 52.560 54.481 -1.921 17879 6960 1 11 . 1 1 71 71 LEU CB C 70 44.045 44.045 41.678 2.367 17879 6961 1 11 . 1 1 71 71 LEU H H 70 7.493 7.493 7.529 -0.036 17879 6962 1 11 . 1 1 72 72 PRO HA H 71 4.678 4.678 4.810 -0.132 17879 6963 1 11 . 1 1 72 72 PRO CA C 71 62.124 62.124 61.042 1.081 17879 6964 1 11 . 1 1 72 72 PRO CB C 71 31.307 31.307 31.081 0.226 17879 6965 1 11 . 1 1 73 73 PRO HA H 72 4.123 4.123 4.407 -0.284 17879 6966 1 11 . 1 1 73 73 PRO C C 72 177.052 177.052 176.520 0.532 17879 6967 1 11 . 1 1 73 73 PRO CA C 72 64.924 64.924 64.241 0.683 17879 6968 1 11 . 1 1 73 73 PRO CB C 72 32.049 32.049 32.044 0.005 17879 6969 1 11 . 1 1 74 74 GLU N N 73 115.091 115.091 117.430 -2.339 17879 6970 1 11 . 1 1 74 74 GLU HA H 73 4.181 4.181 4.342 -0.161 17879 6971 1 11 . 1 1 74 74 GLU C C 73 176.459 176.459 176.632 -0.173 17879 6972 1 11 . 1 1 74 74 GLU CA C 73 57.774 57.774 56.383 1.391 17879 6973 1 11 . 1 1 74 74 GLU CB C 73 28.321 28.321 29.189 -0.868 17879 6974 1 11 . 1 1 74 74 GLU H H 73 9.065 9.065 8.690 0.375 17879 6975 1 11 . 1 1 75 75 LYS N N 74 121.755 121.755 119.209 2.546 17879 6976 1 11 . 1 1 75 75 LYS HA H 74 4.520 4.520 4.590 -0.070 17879 6977 1 11 . 1 1 75 75 LYS C C 74 174.789 174.789 174.334 0.455 17879 6978 1 11 . 1 1 75 75 LYS CA C 74 54.789 54.789 54.883 -0.094 17879 6979 1 11 . 1 1 75 75 LYS CB C 74 32.882 32.882 35.793 -2.911 17879 6980 1 11 . 1 1 75 75 LYS H H 74 7.797 7.797 7.567 0.230 17879 6981 1 11 . 1 1 76 76 ALA N N 75 127.848 127.848 121.007 6.841 17879 6982 1 11 . 1 1 76 76 ALA HA H 75 4.072 4.072 4.710 -0.638 17879 6983 1 11 . 1 1 76 76 ALA C C 75 175.710 175.710 175.395 0.315 17879 6984 1 11 . 1 1 76 76 ALA CA C 75 52.226 52.226 51.159 1.067 17879 6985 1 11 . 1 1 76 76 ALA CB C 75 20.956 20.956 22.104 -1.148 17879 6986 1 11 . 1 1 76 76 ALA H H 75 8.410 8.410 8.388 0.022 17879 6987 1 11 . 1 1 77 77 ILE N N 76 114.298 114.298 120.252 -5.954 17879 6988 1 11 . 1 1 77 77 ILE HA H 76 4.593 4.593 4.756 -0.164 17879 6989 1 11 . 1 1 77 77 ILE C C 76 172.379 172.379 173.708 -1.329 17879 6990 1 11 . 1 1 77 77 ILE CA C 76 59.699 59.699 61.526 -1.827 17879 6991 1 11 . 1 1 77 77 ILE CB C 76 41.218 41.218 40.608 0.611 17879 6992 1 11 . 1 1 77 77 ILE H H 76 7.193 7.193 7.934 -0.741 17879 6993 1 11 . 1 1 78 78 PHE N N 77 124.094 124.094 126.833 -2.739 17879 6994 1 11 . 1 1 78 78 PHE HA H 77 4.556 4.556 4.872 -0.316 17879 6995 1 11 . 1 1 78 78 PHE C C 77 174.359 174.359 174.843 -0.484 17879 6996 1 11 . 1 1 78 78 PHE CA C 77 56.596 56.596 56.197 0.399 17879 6997 1 11 . 1 1 78 78 PHE CB C 77 42.370 42.370 41.736 0.634 17879 6998 1 11 . 1 1 78 78 PHE H H 77 8.931 8.931 9.392 -0.461 17879 6999 1 11 . 1 1 79 79 ILE N N 78 117.724 117.724 122.700 -4.976 17879 7000 1 11 . 1 1 79 79 ILE HA H 78 5.233 5.233 4.926 0.307 17879 7001 1 11 . 1 1 79 79 ILE C C 78 173.334 173.334 174.966 -1.632 17879 7002 1 11 . 1 1 79 79 ILE CA C 78 58.130 58.130 60.602 -2.472 17879 7003 1 11 . 1 1 79 79 ILE CB C 78 39.360 39.360 38.050 1.310 17879 7004 1 11 . 1 1 79 79 ILE H H 78 8.025 8.025 8.844 -0.819 17879 7005 1 11 . 1 1 80 80 PHE N N 79 121.084 121.084 127.463 -6.379 17879 7006 1 11 . 1 1 80 80 PHE HA H 79 5.365 5.365 5.198 0.167 17879 7007 1 11 . 1 1 80 80 PHE C C 79 176.270 176.270 174.975 1.295 17879 7008 1 11 . 1 1 80 80 PHE CA C 79 55.948 55.948 55.969 -0.021 17879 7009 1 11 . 1 1 80 80 PHE CB C 79 42.763 42.763 42.093 0.671 17879 7010 1 11 . 1 1 80 80 PHE H H 79 9.210 9.210 8.984 0.226 17879 7011 1 11 . 1 1 81 81 VAL N N 80 117.974 117.974 123.460 -5.486 17879 7012 1 11 . 1 1 81 81 VAL HA H 80 4.520 4.520 4.367 0.153 17879 7013 1 11 . 1 1 81 81 VAL C C 80 175.699 175.699 174.846 0.853 17879 7014 1 11 . 1 1 81 81 VAL CA C 80 60.484 60.484 61.473 -0.989 17879 7015 1 11 . 1 1 81 81 VAL CB C 80 34.263 34.263 32.124 2.139 17879 7016 1 11 . 1 1 81 81 VAL H H 80 8.832 8.832 8.948 -0.116 17879 7017 1 11 . 1 1 82 82 ASN N N 81 127.615 127.615 123.994 3.621 17879 7018 1 11 . 1 1 82 82 ASN HA H 81 4.339 4.339 4.511 -0.172 17879 7019 1 11 . 1 1 82 82 ASN C C 81 174.036 174.036 174.169 -0.133 17879 7020 1 11 . 1 1 82 82 ASN CA C 81 55.231 55.231 54.018 1.213 17879 7021 1 11 . 1 1 82 82 ASN CB C 81 37.408 37.408 37.847 -0.439 17879 7022 1 11 . 1 1 82 82 ASN H H 81 9.689 9.689 8.927 0.762 17879 7023 1 11 . 1 1 83 83 ASP N N 82 112.699 112.699 111.364 1.335 17879 7024 1 11 . 1 1 83 83 ASP HA H 82 4.135 4.135 4.207 -0.072 17879 7025 1 11 . 1 1 83 83 ASP C C 82 174.560 174.560 174.947 -0.387 17879 7026 1 11 . 1 1 83 83 ASP CA C 82 55.638 55.638 55.493 0.145 17879 7027 1 11 . 1 1 83 83 ASP CB C 82 39.564 39.564 39.164 0.400 17879 7028 1 11 . 1 1 83 83 ASP H H 82 8.772 8.772 8.488 0.284 17879 7029 1 11 . 1 1 84 84 THR N N 83 112.567 112.567 114.038 -1.471 17879 7030 1 11 . 1 1 84 84 THR HA H 83 4.715 4.715 4.723 -0.008 17879 7031 1 11 . 1 1 84 84 THR C C 83 172.200 172.200 173.224 -1.024 17879 7032 1 11 . 1 1 84 84 THR CA C 83 60.868 60.868 61.296 -0.428 17879 7033 1 11 . 1 1 84 84 THR CB C 83 72.206 72.206 71.243 0.963 17879 7034 1 11 . 1 1 84 84 THR H H 83 8.080 8.080 7.322 0.758 17879 7035 1 11 . 1 1 85 85 LEU N N 84 125.810 125.810 129.534 -3.724 17879 7036 1 11 . 1 1 85 85 LEU HA H 84 5.127 5.127 5.143 -0.016 17879 7037 1 11 . 1 1 85 85 LEU CA C 84 51.927 51.927 51.980 -0.053 17879 7038 1 11 . 1 1 85 85 LEU CB C 84 42.779 42.779 43.258 -0.479 17879 7039 1 11 . 1 1 85 85 LEU H H 84 8.520 8.520 8.723 -0.203 17879 7040 1 11 . 1 1 86 86 PRO HA H 85 4.835 4.835 4.777 0.058 17879 7041 1 11 . 1 1 86 86 PRO CA C 85 60.910 60.910 61.306 -0.396 17879 7042 1 11 . 1 1 86 86 PRO CB C 85 30.852 30.852 31.037 -0.185 17879 7043 1 11 . 1 1 87 87 PRO HA H 86 4.577 4.577 4.540 0.037 17879 7044 1 11 . 1 1 87 87 PRO C C 86 177.830 177.830 176.733 1.097 17879 7045 1 11 . 1 1 87 87 PRO CA C 86 62.424 62.424 62.467 -0.043 17879 7046 1 11 . 1 1 87 87 PRO CB C 86 31.910 31.910 32.249 -0.340 17879 7047 1 11 . 1 1 88 88 THR N N 87 114.642 114.642 107.742 6.900 17879 7048 1 11 . 1 1 88 88 THR HA H 87 3.802 3.802 4.345 -0.543 17879 7049 1 11 . 1 1 88 88 THR C C 87 175.702 175.702 175.972 -0.270 17879 7050 1 11 . 1 1 88 88 THR CA C 87 65.079 65.079 64.286 0.793 17879 7051 1 11 . 1 1 88 88 THR CB C 87 68.818 68.818 68.933 -0.115 17879 7052 1 11 . 1 1 88 88 THR H H 87 8.291 8.291 8.055 0.236 17879 7053 1 11 . 1 1 89 89 ALA N N 88 119.706 119.706 122.950 -3.244 17879 7054 1 11 . 1 1 89 89 ALA HA H 88 4.420 4.420 4.303 0.117 17879 7055 1 11 . 1 1 89 89 ALA C C 88 177.690 177.690 178.201 -0.511 17879 7056 1 11 . 1 1 89 89 ALA CA C 88 52.118 52.118 52.445 -0.327 17879 7057 1 11 . 1 1 89 89 ALA CB C 88 19.334 19.334 17.395 1.939 17879 7058 1 11 . 1 1 89 89 ALA H H 88 8.031 8.031 8.113 -0.082 17879 7059 1 11 . 1 1 90 90 ALA N N 89 120.388 120.388 122.241 -1.853 17879 7060 1 11 . 1 1 90 90 ALA HA H 89 4.179 4.179 4.348 -0.169 17879 7061 1 11 . 1 1 90 90 ALA C C 89 176.520 176.520 176.540 -0.020 17879 7062 1 11 . 1 1 90 90 ALA CA C 89 52.454 52.454 51.155 1.299 17879 7063 1 11 . 1 1 90 90 ALA CB C 89 19.301 19.301 17.174 2.127 17879 7064 1 11 . 1 1 90 90 ALA H H 89 7.465 7.465 8.050 -0.585 17879 7065 1 11 . 1 1 91 91 LEU N N 90 119.307 119.307 122.119 -2.812 17879 7066 1 11 . 1 1 91 91 LEU HA H 90 4.490 4.490 3.971 0.519 17879 7067 1 11 . 1 1 91 91 LEU C C 90 179.555 179.555 178.011 1.544 17879 7068 1 11 . 1 1 91 91 LEU CA C 90 54.578 54.578 56.154 -1.576 17879 7069 1 11 . 1 1 91 91 LEU CB C 90 42.689 42.689 41.885 0.804 17879 7070 1 11 . 1 1 91 91 LEU H H 90 8.458 8.458 8.430 0.028 17879 7071 1 11 . 1 1 92 92 MET N N 91 121.586 121.586 124.366 -2.780 17879 7072 1 11 . 1 1 92 92 MET HA H 91 4.231 4.231 3.962 0.269 17879 7073 1 11 . 1 1 92 92 MET C C 91 178.860 178.860 178.686 0.174 17879 7074 1 11 . 1 1 92 92 MET CA C 91 56.938 56.938 57.868 -0.930 17879 7075 1 11 . 1 1 92 92 MET CB C 91 29.372 29.372 30.981 -1.609 17879 7076 1 11 . 1 1 92 92 MET H H 91 9.203 9.203 8.536 0.667 17879 7077 1 11 . 1 1 93 93 SER N N 92 112.826 112.826 115.252 -2.426 17879 7078 1 11 . 1 1 93 93 SER HA H 92 3.978 3.978 4.151 -0.173 17879 7079 1 11 . 1 1 93 93 SER C C 92 176.318 176.318 176.275 0.043 17879 7080 1 11 . 1 1 93 93 SER CA C 92 60.871 60.871 61.246 -0.375 17879 7081 1 11 . 1 1 93 93 SER CB C 92 61.575 61.575 62.902 -1.327 17879 7082 1 11 . 1 1 93 93 SER H H 92 8.717 8.717 8.413 0.304 17879 7083 1 11 . 1 1 94 94 ALA N N 93 126.735 126.735 123.234 3.501 17879 7084 1 11 . 1 1 94 94 ALA HA H 93 4.357 4.357 4.349 0.008 17879 7085 1 11 . 1 1 94 94 ALA C C 93 180.789 180.789 178.881 1.908 17879 7086 1 11 . 1 1 94 94 ALA CA C 93 54.841 54.841 54.252 0.589 17879 7087 1 11 . 1 1 94 94 ALA CB C 93 18.603 18.603 18.592 0.011 17879 7088 1 11 . 1 1 94 94 ALA H H 93 7.058 7.058 7.790 -0.732 17879 7089 1 11 . 1 1 95 95 ILE N N 94 118.720 118.720 116.919 1.801 17879 7090 1 11 . 1 1 95 95 ILE HA H 94 4.063 4.063 4.015 0.048 17879 7091 1 11 . 1 1 95 95 ILE C C 94 178.326 178.326 177.651 0.675 17879 7092 1 11 . 1 1 95 95 ILE CA C 94 62.755 62.755 62.670 0.085 17879 7093 1 11 . 1 1 95 95 ILE CB C 94 36.410 36.410 37.623 -1.213 17879 7094 1 11 . 1 1 95 95 ILE H H 94 7.872 7.872 7.638 0.234 17879 7095 1 11 . 1 1 96 96 TYR N N 95 120.697 120.697 118.656 2.041 17879 7096 1 11 . 1 1 96 96 TYR HA H 95 4.007 4.007 4.199 -0.192 17879 7097 1 11 . 1 1 96 96 TYR C C 95 176.022 176.022 175.678 0.344 17879 7098 1 11 . 1 1 96 96 TYR CA C 95 62.187 62.187 59.768 2.419 17879 7099 1 11 . 1 1 96 96 TYR CB C 95 39.093 39.093 38.602 0.491 17879 7100 1 11 . 1 1 96 96 TYR H H 95 8.841 8.841 8.261 0.580 17879 7101 1 11 . 1 1 97 97 GLN N N 96 114.982 114.982 117.583 -2.601 17879 7102 1 11 . 1 1 97 97 GLN HA H 96 3.778 3.778 4.047 -0.269 17879 7103 1 11 . 1 1 97 97 GLN C C 96 177.250 177.250 176.155 1.095 17879 7104 1 11 . 1 1 97 97 GLN CA C 96 58.719 58.719 56.260 2.459 17879 7105 1 11 . 1 1 97 97 GLN CB C 96 28.286 28.286 29.412 -1.126 17879 7106 1 11 . 1 1 97 97 GLN H H 96 7.757 7.757 7.765 -0.008 17879 7107 1 11 . 1 1 98 98 GLU N N 97 114.340 114.340 117.990 -3.650 17879 7108 1 11 . 1 1 98 98 GLU HA H 97 4.099 4.099 4.305 -0.206 17879 7109 1 11 . 1 1 98 98 GLU C C 97 178.140 178.140 176.875 1.265 17879 7110 1 11 . 1 1 98 98 GLU CA C 97 57.886 57.886 56.545 1.341 17879 7111 1 11 . 1 1 98 98 GLU CB C 97 31.589 31.589 31.136 0.453 17879 7112 1 11 . 1 1 98 98 GLU H H 97 7.117 7.117 7.613 -0.496 17879 7113 1 11 . 1 1 99 99 HIS N N 98 113.377 113.377 117.497 -4.120 17879 7114 1 11 . 1 1 99 99 HIS HA H 98 4.829 4.829 4.710 0.119 17879 7115 1 11 . 1 1 99 99 HIS C C 98 175.856 175.856 174.449 1.407 17879 7116 1 11 . 1 1 99 99 HIS CA C 98 56.738 56.738 54.169 2.569 17879 7117 1 11 . 1 1 99 99 HIS CB C 98 32.930 32.930 31.004 1.926 17879 7118 1 11 . 1 1 99 99 HIS H H 98 8.247 8.247 7.892 0.355 17879 7119 1 11 . 1 1 100 100 LYS N N 99 120.905 120.905 118.875 2.030 17879 7120 1 11 . 1 1 100 100 LYS HA H 99 3.994 3.994 4.220 -0.226 17879 7121 1 11 . 1 1 100 100 LYS C C 99 174.832 174.832 175.924 -1.092 17879 7122 1 11 . 1 1 100 100 LYS CA C 99 57.693 57.693 56.257 1.436 17879 7123 1 11 . 1 1 100 100 LYS CB C 99 31.703 31.703 32.822 -1.119 17879 7124 1 11 . 1 1 100 100 LYS H H 99 8.065 8.065 7.498 0.567 17879 7125 1 11 . 1 1 101 101 ASP N N 100 124.188 124.188 118.453 5.735 17879 7126 1 11 . 1 1 101 101 ASP HA H 100 4.765 4.765 4.922 -0.157 17879 7127 1 11 . 1 1 101 101 ASP C C 100 177.692 177.692 176.053 1.639 17879 7128 1 11 . 1 1 101 101 ASP CA C 100 54.030 54.030 52.385 1.645 17879 7129 1 11 . 1 1 101 101 ASP CB C 100 43.429 43.429 43.937 -0.508 17879 7130 1 11 . 1 1 101 101 ASP H H 100 9.027 9.027 8.227 0.800 17879 7131 1 11 . 1 1 102 102 LYS N N 101 125.898 125.898 118.971 6.927 17879 7132 1 11 . 1 1 102 102 LYS HA H 101 4.239 4.239 4.100 0.139 17879 7133 1 11 . 1 1 102 102 LYS C C 101 178.053 178.053 178.042 0.011 17879 7134 1 11 . 1 1 102 102 LYS CA C 101 59.482 59.482 59.145 0.337 17879 7135 1 11 . 1 1 102 102 LYS CB C 101 32.821 32.821 32.532 0.289 17879 7136 1 11 . 1 1 102 102 LYS H H 101 8.678 8.678 8.754 -0.075 17879 7137 1 11 . 1 1 103 103 ASP N N 102 119.326 119.326 115.073 4.253 17879 7138 1 11 . 1 1 103 103 ASP HA H 102 4.127 4.127 4.391 -0.264 17879 7139 1 11 . 1 1 103 103 ASP C C 102 176.833 176.833 177.831 -0.998 17879 7140 1 11 . 1 1 103 103 ASP CA C 102 54.666 54.666 55.435 -0.769 17879 7141 1 11 . 1 1 103 103 ASP CB C 102 39.848 39.848 41.107 -1.259 17879 7142 1 11 . 1 1 103 103 ASP H H 102 10.276 10.276 8.589 1.687 17879 7143 1 11 . 1 1 104 104 GLY N N 103 106.059 106.059 106.660 -0.601 17879 7144 1 11 . 1 1 104 104 GLY C C 103 174.655 174.655 173.755 0.900 17879 7145 1 11 . 1 1 104 104 GLY CA C 103 45.319 45.319 45.477 -0.158 17879 7146 1 11 . 1 1 104 104 GLY H H 103 8.173 8.173 8.323 -0.150 17879 7147 1 11 . 1 1 105 105 PHE N N 104 121.781 121.781 119.836 1.945 17879 7148 1 11 . 1 1 105 105 PHE HA H 104 4.682 4.682 4.892 -0.210 17879 7149 1 11 . 1 1 105 105 PHE C C 104 174.830 174.830 174.805 0.025 17879 7150 1 11 . 1 1 105 105 PHE CA C 104 59.377 59.377 59.134 0.243 17879 7151 1 11 . 1 1 105 105 PHE CB C 104 39.938 39.938 40.890 -0.952 17879 7152 1 11 . 1 1 105 105 PHE H H 104 9.600 9.600 8.188 1.412 17879 7153 1 11 . 1 1 106 106 LEU N N 105 119.929 119.929 118.350 1.579 17879 7154 1 11 . 1 1 106 106 LEU HA H 105 4.897 4.897 4.559 0.338 17879 7155 1 11 . 1 1 106 106 LEU C C 105 173.947 173.947 175.046 -1.099 17879 7156 1 11 . 1 1 106 106 LEU CA C 105 53.463 53.463 53.554 -0.091 17879 7157 1 11 . 1 1 106 106 LEU CB C 105 45.066 45.066 45.081 -0.015 17879 7158 1 11 . 1 1 106 106 LEU H H 105 8.376 8.376 8.741 -0.365 17879 7159 1 11 . 1 1 107 107 TYR N N 106 127.637 127.637 118.828 8.809 17879 7160 1 11 . 1 1 107 107 TYR HA H 106 4.992 4.992 4.947 0.045 17879 7161 1 11 . 1 1 107 107 TYR C C 106 176.099 176.099 174.505 1.594 17879 7162 1 11 . 1 1 107 107 TYR CA C 106 58.893 58.893 57.081 1.812 17879 7163 1 11 . 1 1 107 107 TYR CB C 106 38.140 38.140 39.080 -0.940 17879 7164 1 11 . 1 1 107 107 TYR H H 106 9.124 9.124 8.712 0.412 17879 7165 1 11 . 1 1 108 108 VAL N N 107 121.630 121.630 121.315 0.315 17879 7166 1 11 . 1 1 108 108 VAL HA H 107 5.135 5.135 4.519 0.616 17879 7167 1 11 . 1 1 108 108 VAL C C 107 175.722 175.722 174.588 1.134 17879 7168 1 11 . 1 1 108 108 VAL CA C 107 59.587 59.587 59.895 -0.308 17879 7169 1 11 . 1 1 108 108 VAL CB C 107 34.787 34.787 34.581 0.206 17879 7170 1 11 . 1 1 108 108 VAL H H 107 9.560 9.560 8.618 0.942 17879 7171 1 11 . 1 1 109 109 THR N N 108 119.845 119.845 115.660 4.185 17879 7172 1 11 . 1 1 109 109 THR HA H 108 6.155 6.155 5.399 0.756 17879 7173 1 11 . 1 1 109 109 THR C C 108 174.158 174.158 173.314 0.844 17879 7174 1 11 . 1 1 109 109 THR CA C 108 59.869 59.869 61.670 -1.801 17879 7175 1 11 . 1 1 109 109 THR CB C 108 72.268 72.268 71.994 0.274 17879 7176 1 11 . 1 1 109 109 THR H H 108 9.061 9.061 8.041 1.020 17879 7177 1 11 . 1 1 110 110 TYR N N 109 119.706 119.706 121.006 -1.300 17879 7178 1 11 . 1 1 110 110 TYR HA H 109 6.332 6.332 5.746 0.586 17879 7179 1 11 . 1 1 110 110 TYR C C 109 173.366 173.366 173.193 0.173 17879 7180 1 11 . 1 1 110 110 TYR CA C 109 54.655 54.655 55.414 -0.759 17879 7181 1 11 . 1 1 110 110 TYR CB C 109 42.250 42.250 41.309 0.941 17879 7182 1 11 . 1 1 110 110 TYR H H 109 8.461 8.461 9.204 -0.743 17879 7183 1 11 . 1 1 111 111 SER N N 110 112.907 112.907 117.825 -4.918 17879 7184 1 11 . 1 1 111 111 SER HA H 110 4.745 4.745 5.024 -0.279 17879 7185 1 11 . 1 1 111 111 SER C C 110 173.692 173.692 174.895 -1.203 17879 7186 1 11 . 1 1 111 111 SER CA C 110 56.044 56.044 55.374 0.670 17879 7187 1 11 . 1 1 111 111 SER CB C 110 66.177 66.177 66.039 0.138 17879 7188 1 11 . 1 1 111 111 SER H H 110 9.089 9.089 8.936 0.153 17879 7189 1 11 . 1 1 112 112 GLY N N 111 111.054 111.054 110.080 0.974 17879 7190 1 11 . 1 1 112 112 GLY C C 111 173.331 173.331 173.594 -0.263 17879 7191 1 11 . 1 1 112 112 GLY CA C 111 45.341 45.341 45.182 0.159 17879 7192 1 11 . 1 1 112 112 GLY H H 111 8.443 8.443 8.756 -0.313 17879 7193 1 11 . 1 1 113 113 GLU N N 112 118.801 118.801 119.979 -1.178 17879 7194 1 11 . 1 1 113 113 GLU HA H 112 4.660 4.660 4.496 0.164 17879 7195 1 11 . 1 1 113 113 GLU C C 112 174.538 174.538 175.324 -0.786 17879 7196 1 11 . 1 1 113 113 GLU CA C 112 55.642 55.642 55.053 0.589 17879 7197 1 11 . 1 1 113 113 GLU CB C 112 32.930 32.930 31.031 1.899 17879 7198 1 11 . 1 1 113 113 GLU H H 112 8.413 8.413 7.640 0.773 17879 7199 1 11 . 1 1 114 114 ASN N N 113 118.152 118.152 124.135 -5.983 17879 7200 1 11 . 1 1 114 114 ASN HA H 113 4.187 4.187 4.535 -0.348 17879 7201 1 11 . 1 1 114 114 ASN C C 113 175.011 175.011 174.062 0.949 17879 7202 1 11 . 1 1 114 114 ASN CA C 113 51.910 51.910 51.804 0.106 17879 7203 1 11 . 1 1 114 114 ASN CB C 113 36.865 36.865 35.783 1.082 17879 7204 1 11 . 1 1 114 114 ASN H H 113 8.207 8.207 8.509 -0.302 17879 7205 1 11 . 1 1 115 115 THR N N 114 112.887 112.887 115.617 -2.730 17879 7206 1 11 . 1 1 115 115 THR HA H 114 4.190 4.190 4.639 -0.449 17879 7207 1 11 . 1 1 115 115 THR C C 114 173.575 173.575 173.074 0.501 17879 7208 1 11 . 1 1 115 115 THR CA C 114 61.149 61.149 61.118 0.030 17879 7209 1 11 . 1 1 115 115 THR CB C 114 69.859 69.859 70.611 -0.752 17879 7210 1 11 . 1 1 115 115 THR H H 114 7.411 7.411 7.632 -0.221 17879 7211 1 11 . 1 1 116 116 PHE N N 115 121.474 121.474 118.956 2.518 17879 7212 1 11 . 1 1 116 116 PHE HA H 115 4.451 4.451 4.620 -0.169 17879 7213 1 11 . 1 1 116 116 PHE C C 115 175.078 175.078 175.240 -0.162 17879 7214 1 11 . 1 1 116 116 PHE CA C 115 57.681 57.681 56.322 1.359 17879 7215 1 11 . 1 1 116 116 PHE CB C 115 39.569 39.569 38.361 1.208 17879 7216 1 11 . 1 1 116 116 PHE H H 115 8.021 8.021 7.735 0.286 17879 7217 1 12 . 1 1 2 2 MET N N 1 122.410 122.410 120.241 2.169 17879 7218 1 12 . 1 1 2 2 MET HA H 1 4.455 4.455 4.841 -0.386 17879 7219 1 12 . 1 1 2 2 MET C C 1 175.655 175.655 175.490 0.165 17879 7220 1 12 . 1 1 2 2 MET CA C 1 55.438 55.438 54.926 0.512 17879 7221 1 12 . 1 1 2 2 MET CB C 1 33.126 33.126 34.484 -1.358 17879 7222 1 12 . 1 1 2 2 MET H H 1 8.425 8.425 8.794 -0.369 17879 7223 1 12 . 1 1 3 3 LYS N N 2 123.656 123.656 119.265 4.391 17879 7224 1 12 . 1 1 3 3 LYS HA H 2 4.326 4.326 4.699 -0.373 17879 7225 1 12 . 1 1 3 3 LYS C C 2 176.266 176.266 176.784 -0.518 17879 7226 1 12 . 1 1 3 3 LYS CA C 2 56.348 56.348 56.089 0.259 17879 7227 1 12 . 1 1 3 3 LYS CB C 2 33.219 33.219 33.574 -0.355 17879 7228 1 12 . 1 1 3 3 LYS H H 2 8.512 8.512 8.342 0.170 17879 7229 1 12 . 1 1 4 4 SER N N 3 118.350 118.350 115.175 3.175 17879 7230 1 12 . 1 1 4 4 SER HA H 3 4.631 4.631 4.401 0.230 17879 7231 1 12 . 1 1 4 4 SER C C 3 175.421 175.421 174.766 0.655 17879 7232 1 12 . 1 1 4 4 SER CA C 3 57.629 57.629 59.383 -1.754 17879 7233 1 12 . 1 1 4 4 SER CB C 3 64.079 64.079 63.972 0.107 17879 7234 1 12 . 1 1 4 4 SER H H 3 8.426 8.426 8.210 0.216 17879 7235 1 12 . 1 1 5 5 THR N N 4 127.775 127.775 111.015 16.760 17879 7236 1 12 . 1 1 5 5 THR HA H 4 4.482 4.482 4.344 0.138 17879 7237 1 12 . 1 1 5 5 THR C C 4 174.680 174.680 174.847 -0.167 17879 7238 1 12 . 1 1 5 5 THR CA C 4 62.001 62.001 63.214 -1.213 17879 7239 1 12 . 1 1 5 5 THR CB C 4 70.137 70.137 69.595 0.542 17879 7240 1 12 . 1 1 5 5 THR H H 4 9.971 9.971 8.381 1.590 17879 7241 1 12 . 1 1 6 6 PHE N N 5 123.021 123.021 123.043 -0.022 17879 7242 1 12 . 1 1 6 6 PHE HA H 5 4.125 4.125 4.315 -0.190 17879 7243 1 12 . 1 1 6 6 PHE C C 5 177.064 177.064 176.052 1.012 17879 7244 1 12 . 1 1 6 6 PHE CA C 5 63.041 63.041 61.044 1.997 17879 7245 1 12 . 1 1 6 6 PHE CB C 5 40.828 40.828 39.127 1.702 17879 7246 1 12 . 1 1 6 6 PHE H H 5 8.863 8.863 8.587 0.276 17879 7247 1 12 . 1 1 7 7 LYS N N 6 114.006 114.006 118.901 -4.895 17879 7248 1 12 . 1 1 7 7 LYS HA H 6 3.916 3.916 3.707 0.209 17879 7249 1 12 . 1 1 7 7 LYS C C 6 177.535 177.535 177.087 0.448 17879 7250 1 12 . 1 1 7 7 LYS CA C 6 60.026 60.026 57.740 2.286 17879 7251 1 12 . 1 1 7 7 LYS CB C 6 33.611 33.611 32.321 1.290 17879 7252 1 12 . 1 1 7 7 LYS H H 6 8.661 8.661 8.179 0.482 17879 7253 1 12 . 1 1 8 8 SER N N 7 111.149 111.149 114.265 -3.116 17879 7254 1 12 . 1 1 8 8 SER HA H 7 4.275 4.275 4.237 0.038 17879 7255 1 12 . 1 1 8 8 SER C C 7 175.689 175.689 175.608 0.081 17879 7256 1 12 . 1 1 8 8 SER CA C 7 60.007 60.007 60.224 -0.216 17879 7257 1 12 . 1 1 8 8 SER CB C 7 63.759 63.759 62.814 0.945 17879 7258 1 12 . 1 1 8 8 SER H H 7 7.552 7.552 8.054 -0.502 17879 7259 1 12 . 1 1 9 9 GLU N N 8 122.296 122.296 121.319 0.977 17879 7260 1 12 . 1 1 9 9 GLU HA H 8 3.818 3.818 4.122 -0.304 17879 7261 1 12 . 1 1 9 9 GLU C C 8 176.068 176.068 176.856 -0.788 17879 7262 1 12 . 1 1 9 9 GLU CA C 8 58.137 58.137 58.446 -0.309 17879 7263 1 12 . 1 1 9 9 GLU CB C 8 30.965 30.965 30.076 0.889 17879 7264 1 12 . 1 1 9 9 GLU H H 8 7.924 7.924 7.926 -0.002 17879 7265 1 12 . 1 1 10 10 TYR N N 9 115.131 115.131 114.841 0.290 17879 7266 1 12 . 1 1 10 10 TYR HA H 9 5.066 5.066 4.977 0.089 17879 7267 1 12 . 1 1 10 10 TYR CA C 9 53.958 53.958 53.727 0.231 17879 7268 1 12 . 1 1 10 10 TYR CB C 9 41.055 41.055 38.058 2.997 17879 7269 1 12 . 1 1 10 10 TYR H H 9 7.052 7.052 6.777 0.275 17879 7270 1 12 . 1 1 11 11 PRO HA H 10 4.708 4.708 4.579 0.129 17879 7271 1 12 . 1 1 11 11 PRO C C 10 177.384 177.384 177.144 0.240 17879 7272 1 12 . 1 1 11 11 PRO CA C 10 62.279 62.279 61.845 0.434 17879 7273 1 12 . 1 1 11 11 PRO CB C 10 33.087 33.087 32.727 0.360 17879 7274 1 12 . 1 1 12 12 PHE N N 11 125.307 125.307 121.446 3.861 17879 7275 1 12 . 1 1 12 12 PHE HA H 11 3.883 3.883 4.217 -0.334 17879 7276 1 12 . 1 1 12 12 PHE C C 11 176.157 176.157 177.286 -1.129 17879 7277 1 12 . 1 1 12 12 PHE CA C 11 63.156 63.156 62.290 0.866 17879 7278 1 12 . 1 1 12 12 PHE CB C 11 39.935 39.935 39.246 0.689 17879 7279 1 12 . 1 1 12 12 PHE H H 11 9.385 9.385 8.661 0.724 17879 7280 1 12 . 1 1 13 13 GLU N N 12 115.356 115.356 118.116 -2.760 17879 7281 1 12 . 1 1 13 13 GLU HA H 12 3.857 3.857 4.086 -0.229 17879 7282 1 12 . 1 1 13 13 GLU C C 12 179.598 179.598 179.293 0.305 17879 7283 1 12 . 1 1 13 13 GLU CA C 12 60.317 60.317 60.226 0.091 17879 7284 1 12 . 1 1 13 13 GLU CB C 12 28.642 28.642 29.010 -0.368 17879 7285 1 12 . 1 1 13 13 GLU H H 12 9.800 9.800 9.123 0.677 17879 7286 1 12 . 1 1 14 14 LYS N N 13 118.194 118.194 117.809 0.385 17879 7287 1 12 . 1 1 14 14 LYS HA H 13 4.246 4.246 4.108 0.138 17879 7288 1 12 . 1 1 14 14 LYS C C 13 178.804 178.804 179.090 -0.286 17879 7289 1 12 . 1 1 14 14 LYS CA C 13 58.143 58.143 58.751 -0.607 17879 7290 1 12 . 1 1 14 14 LYS CB C 13 32.770 32.770 31.795 0.975 17879 7291 1 12 . 1 1 14 14 LYS H H 13 7.160 7.160 7.405 -0.245 17879 7292 1 12 . 1 1 15 15 ARG N N 14 120.949 120.949 119.701 1.248 17879 7293 1 12 . 1 1 15 15 ARG HA H 14 3.892 3.892 3.957 -0.065 17879 7294 1 12 . 1 1 15 15 ARG C C 14 176.858 176.858 178.421 -1.563 17879 7295 1 12 . 1 1 15 15 ARG CA C 14 61.520 61.520 59.508 2.012 17879 7296 1 12 . 1 1 15 15 ARG CB C 14 32.840 32.840 29.601 3.239 17879 7297 1 12 . 1 1 15 15 ARG H H 14 7.686 7.686 8.071 -0.385 17879 7298 1 12 . 1 1 16 16 LYS N N 15 119.224 119.224 119.587 -0.363 17879 7299 1 12 . 1 1 16 16 LYS HA H 15 4.449 4.449 4.231 0.218 17879 7300 1 12 . 1 1 16 16 LYS C C 15 177.796 177.796 178.800 -1.004 17879 7301 1 12 . 1 1 16 16 LYS CA C 15 57.366 57.366 59.286 -1.920 17879 7302 1 12 . 1 1 16 16 LYS CB C 15 32.529 32.529 31.526 1.003 17879 7303 1 12 . 1 1 16 16 LYS H H 15 8.667 8.667 7.931 0.736 17879 7304 1 12 . 1 1 17 17 ALA N N 16 117.777 117.777 121.110 -3.333 17879 7305 1 12 . 1 1 17 17 ALA HA H 16 4.164 4.164 4.001 0.163 17879 7306 1 12 . 1 1 17 17 ALA C C 16 180.641 180.641 179.488 1.153 17879 7307 1 12 . 1 1 17 17 ALA CA C 16 54.627 54.627 55.142 -0.515 17879 7308 1 12 . 1 1 17 17 ALA CB C 16 18.114 18.114 18.092 0.022 17879 7309 1 12 . 1 1 17 17 ALA H H 16 7.305 7.305 7.609 -0.304 17879 7310 1 12 . 1 1 18 18 GLU N N 17 119.934 119.934 118.929 1.005 17879 7311 1 12 . 1 1 18 18 GLU HA H 17 4.695 4.695 4.124 0.571 17879 7312 1 12 . 1 1 18 18 GLU C C 17 178.339 178.339 178.922 -0.583 17879 7313 1 12 . 1 1 18 18 GLU CA C 17 58.173 58.173 58.998 -0.825 17879 7314 1 12 . 1 1 18 18 GLU CB C 17 28.765 28.765 29.406 -0.641 17879 7315 1 12 . 1 1 18 18 GLU H H 17 7.849 7.849 7.971 -0.122 17879 7316 1 12 . 1 1 19 19 SER N N 18 117.685 117.685 114.735 2.950 17879 7317 1 12 . 1 1 19 19 SER HA H 18 3.542 3.542 4.118 -0.576 17879 7318 1 12 . 1 1 19 19 SER C C 18 178.206 178.206 176.968 1.238 17879 7319 1 12 . 1 1 19 19 SER CA C 18 62.108 62.108 61.290 0.818 17879 7320 1 12 . 1 1 19 19 SER CB C 18 59.839 59.839 63.130 -3.291 17879 7321 1 12 . 1 1 19 19 SER H H 18 8.785 8.785 8.702 0.083 17879 7322 1 12 . 1 1 20 20 GLU N N 19 124.346 124.346 121.589 2.757 17879 7323 1 12 . 1 1 20 20 GLU HA H 19 3.988 3.988 4.137 -0.149 17879 7324 1 12 . 1 1 20 20 GLU C C 19 178.788 178.788 177.931 0.857 17879 7325 1 12 . 1 1 20 20 GLU CA C 19 59.701 59.701 58.998 0.703 17879 7326 1 12 . 1 1 20 20 GLU CB C 19 29.318 29.318 29.612 -0.294 17879 7327 1 12 . 1 1 20 20 GLU H H 19 8.052 8.052 8.479 -0.427 17879 7328 1 12 . 1 1 21 21 ARG N N 20 122.089 122.089 116.841 5.248 17879 7329 1 12 . 1 1 21 21 ARG HA H 20 4.093 4.093 4.273 -0.180 17879 7330 1 12 . 1 1 21 21 ARG C C 20 179.458 179.458 178.192 1.266 17879 7331 1 12 . 1 1 21 21 ARG CA C 20 59.500 59.500 57.294 2.206 17879 7332 1 12 . 1 1 21 21 ARG CB C 20 30.412 30.412 30.940 -0.528 17879 7333 1 12 . 1 1 21 21 ARG H H 20 7.958 7.958 7.245 0.713 17879 7334 1 12 . 1 1 22 22 ILE N N 21 119.893 119.893 120.156 -0.263 17879 7335 1 12 . 1 1 22 22 ILE HA H 21 3.623 3.623 3.271 0.352 17879 7336 1 12 . 1 1 22 22 ILE C C 21 176.842 176.842 177.463 -0.621 17879 7337 1 12 . 1 1 22 22 ILE CA C 21 65.145 65.145 64.780 0.365 17879 7338 1 12 . 1 1 22 22 ILE CB C 21 38.195 38.195 37.607 0.588 17879 7339 1 12 . 1 1 22 22 ILE H H 21 8.277 8.277 8.340 -0.063 17879 7340 1 12 . 1 1 23 23 ALA N N 22 121.816 121.816 120.320 1.496 17879 7341 1 12 . 1 1 23 23 ALA HA H 22 4.071 4.071 4.129 -0.058 17879 7342 1 12 . 1 1 23 23 ALA C C 22 179.199 179.199 177.437 1.762 17879 7343 1 12 . 1 1 23 23 ALA CA C 22 54.519 54.519 53.815 0.705 17879 7344 1 12 . 1 1 23 23 ALA CB C 22 18.001 18.001 18.861 -0.860 17879 7345 1 12 . 1 1 23 23 ALA H H 22 7.962 7.962 7.876 0.086 17879 7346 1 12 . 1 1 24 24 ASP N N 23 114.866 114.866 116.443 -1.577 17879 7347 1 12 . 1 1 24 24 ASP HA H 23 4.401 4.401 4.596 -0.195 17879 7348 1 12 . 1 1 24 24 ASP C C 23 177.324 177.324 177.278 0.046 17879 7349 1 12 . 1 1 24 24 ASP CA C 23 56.248 56.248 54.919 1.329 17879 7350 1 12 . 1 1 24 24 ASP CB C 23 42.193 42.193 41.371 0.822 17879 7351 1 12 . 1 1 24 24 ASP H H 23 7.368 7.368 7.811 -0.443 17879 7352 1 12 . 1 1 25 25 ARG N N 24 116.868 116.868 117.797 -0.929 17879 7353 1 12 . 1 1 25 25 ARG HA H 24 3.922 3.922 4.283 -0.361 17879 7354 1 12 . 1 1 25 25 ARG C C 24 176.266 176.266 176.808 -0.542 17879 7355 1 12 . 1 1 25 25 ARG CA C 24 57.158 57.158 56.880 0.278 17879 7356 1 12 . 1 1 25 25 ARG CB C 24 31.477 31.477 32.184 -0.707 17879 7357 1 12 . 1 1 25 25 ARG H H 24 7.815 7.815 7.664 0.151 17879 7358 1 12 . 1 1 26 26 PHE N N 25 116.737 116.737 118.098 -1.361 17879 7359 1 12 . 1 1 26 26 PHE HA H 25 5.084 5.084 5.008 0.076 17879 7360 1 12 . 1 1 26 26 PHE CA C 25 54.304 54.304 53.806 0.498 17879 7361 1 12 . 1 1 26 26 PHE CB C 25 39.026 39.026 38.142 0.884 17879 7362 1 12 . 1 1 26 26 PHE H H 25 8.658 8.658 7.750 0.908 17879 7363 1 12 . 1 1 27 27 PRO HA H 26 4.503 4.503 4.377 0.126 17879 7364 1 12 . 1 1 27 27 PRO C C 26 177.538 177.538 176.547 0.991 17879 7365 1 12 . 1 1 27 27 PRO CA C 26 64.394 64.394 63.926 0.468 17879 7366 1 12 . 1 1 27 27 PRO CB C 26 31.961 31.961 32.080 -0.118 17879 7367 1 12 . 1 1 28 28 ASN N N 27 114.596 114.596 116.835 -2.239 17879 7368 1 12 . 1 1 28 28 ASN HA H 27 4.725 4.725 4.790 -0.065 17879 7369 1 12 . 1 1 28 28 ASN C C 27 174.678 174.678 174.602 0.076 17879 7370 1 12 . 1 1 28 28 ASN CA C 27 52.868 52.868 52.549 0.319 17879 7371 1 12 . 1 1 28 28 ASN CB C 27 38.331 38.331 37.967 0.364 17879 7372 1 12 . 1 1 28 28 ASN H H 27 8.537 8.537 8.804 -0.267 17879 7373 1 12 . 1 1 29 29 ARG N N 28 116.946 116.946 119.463 -2.517 17879 7374 1 12 . 1 1 29 29 ARG HA H 28 4.769 4.769 4.564 0.205 17879 7375 1 12 . 1 1 29 29 ARG C C 28 174.469 174.469 174.295 0.174 17879 7376 1 12 . 1 1 29 29 ARG CA C 28 52.948 52.948 54.051 -1.103 17879 7377 1 12 . 1 1 29 29 ARG CB C 28 32.941 32.941 33.274 -0.333 17879 7378 1 12 . 1 1 29 29 ARG H H 28 7.580 7.580 7.409 0.171 17879 7379 1 12 . 1 1 30 30 ILE N N 29 121.854 121.854 120.167 1.687 17879 7380 1 12 . 1 1 30 30 ILE HA H 29 4.098 4.098 4.032 0.066 17879 7381 1 12 . 1 1 30 30 ILE CA C 29 55.558 55.558 57.015 -1.457 17879 7382 1 12 . 1 1 30 30 ILE CB C 29 38.805 38.805 39.943 -1.138 17879 7383 1 12 . 1 1 30 30 ILE H H 29 9.262 9.262 8.607 0.655 17879 7384 1 12 . 1 1 31 31 PRO HA H 30 4.856 4.856 4.545 0.311 17879 7385 1 12 . 1 1 31 31 PRO C C 30 174.121 174.121 176.408 -2.287 17879 7386 1 12 . 1 1 31 31 PRO CA C 30 61.705 61.705 62.334 -0.629 17879 7387 1 12 . 1 1 31 31 PRO CB C 30 30.966 30.966 31.137 -0.171 17879 7388 1 12 . 1 1 32 32 VAL N N 31 127.197 127.197 119.446 7.751 17879 7389 1 12 . 1 1 32 32 VAL HA H 31 4.997 4.997 4.945 0.052 17879 7390 1 12 . 1 1 32 32 VAL C C 31 174.181 174.181 173.712 0.469 17879 7391 1 12 . 1 1 32 32 VAL CA C 31 60.620 60.620 59.776 0.844 17879 7392 1 12 . 1 1 32 32 VAL CB C 31 35.645 35.645 36.108 -0.463 17879 7393 1 12 . 1 1 32 32 VAL H H 31 9.096 9.096 9.108 -0.012 17879 7394 1 12 . 1 1 33 33 ILE N N 32 127.157 127.157 120.195 6.962 17879 7395 1 12 . 1 1 33 33 ILE HA H 32 4.917 4.917 4.629 0.288 17879 7396 1 12 . 1 1 33 33 ILE C C 32 174.991 174.991 175.280 -0.289 17879 7397 1 12 . 1 1 33 33 ILE CA C 32 56.589 56.589 59.797 -3.208 17879 7398 1 12 . 1 1 33 33 ILE CB C 32 35.908 35.908 38.982 -3.074 17879 7399 1 12 . 1 1 33 33 ILE H H 32 8.775 8.775 8.522 0.253 17879 7400 1 12 . 1 1 34 34 CYS N N 33 129.280 129.280 126.983 2.297 17879 7401 1 12 . 1 1 34 34 CYS HA H 33 5.559 5.559 4.596 0.963 17879 7402 1 12 . 1 1 34 34 CYS C C 33 173.218 173.218 173.666 -0.448 17879 7403 1 12 . 1 1 34 34 CYS CA C 33 57.121 57.121 59.237 -2.116 17879 7404 1 12 . 1 1 34 34 CYS CB C 33 28.880 28.880 28.808 0.072 17879 7405 1 12 . 1 1 34 34 CYS H H 33 9.738 9.738 9.122 0.616 17879 7406 1 12 . 1 1 35 35 GLU N N 34 124.130 124.130 123.307 0.823 17879 7407 1 12 . 1 1 35 35 GLU HA H 34 4.977 4.977 4.635 0.343 17879 7408 1 12 . 1 1 35 35 GLU C C 34 174.190 174.190 174.076 0.114 17879 7409 1 12 . 1 1 35 35 GLU CA C 34 54.308 54.308 55.165 -0.857 17879 7410 1 12 . 1 1 35 35 GLU CB C 34 35.281 35.281 33.730 1.552 17879 7411 1 12 . 1 1 35 35 GLU H H 34 8.531 8.531 8.639 -0.108 17879 7412 1 12 . 1 1 36 36 LYS N N 35 123.562 123.562 120.707 2.855 17879 7413 1 12 . 1 1 36 36 LYS HA H 35 3.056 3.056 4.376 -1.320 17879 7414 1 12 . 1 1 36 36 LYS C C 35 177.452 177.452 175.980 1.472 17879 7415 1 12 . 1 1 36 36 LYS CA C 35 56.374 56.374 53.645 2.729 17879 7416 1 12 . 1 1 36 36 LYS CB C 35 32.750 32.750 34.053 -1.303 17879 7417 1 12 . 1 1 36 36 LYS H H 35 8.949 8.949 8.360 0.589 17879 7418 1 12 . 1 1 37 37 ALA N N 36 129.494 129.494 129.440 0.054 17879 7419 1 12 . 1 1 37 37 ALA HA H 36 4.163 4.163 4.159 0.004 17879 7420 1 12 . 1 1 37 37 ALA C C 36 178.375 178.375 177.510 0.865 17879 7421 1 12 . 1 1 37 37 ALA CA C 36 52.702 52.702 52.969 -0.267 17879 7422 1 12 . 1 1 37 37 ALA CB C 36 18.673 18.673 19.578 -0.904 17879 7423 1 12 . 1 1 37 37 ALA H H 36 8.561 8.561 7.588 0.973 17879 7424 1 12 . 1 1 38 38 GLU N N 37 125.115 125.115 118.787 6.328 17879 7425 1 12 . 1 1 38 38 GLU HA H 37 3.959 3.959 4.192 -0.233 17879 7426 1 12 . 1 1 38 38 GLU C C 37 177.516 177.516 177.135 0.381 17879 7427 1 12 . 1 1 38 38 GLU CA C 37 59.302 59.302 57.407 1.895 17879 7428 1 12 . 1 1 38 38 GLU CB C 37 30.154 30.154 29.690 0.464 17879 7429 1 12 . 1 1 38 38 GLU H H 37 8.648 8.648 8.485 0.163 17879 7430 1 12 . 1 1 39 39 LYS N N 38 115.020 115.020 119.766 -4.746 17879 7431 1 12 . 1 1 39 39 LYS HA H 38 4.188 4.188 4.113 0.075 17879 7432 1 12 . 1 1 39 39 LYS C C 38 176.244 176.244 177.124 -0.880 17879 7433 1 12 . 1 1 39 39 LYS CA C 38 56.564 56.564 57.388 -0.824 17879 7434 1 12 . 1 1 39 39 LYS CB C 38 31.484 31.484 32.124 -0.640 17879 7435 1 12 . 1 1 39 39 LYS H H 38 8.494 8.494 8.104 0.390 17879 7436 1 12 . 1 1 40 40 SER N N 39 113.091 113.091 112.168 0.923 17879 7437 1 12 . 1 1 40 40 SER HA H 39 4.535 4.535 4.239 0.296 17879 7438 1 12 . 1 1 40 40 SER C C 39 174.896 174.896 174.661 0.235 17879 7439 1 12 . 1 1 40 40 SER CA C 39 57.985 57.985 59.278 -1.293 17879 7440 1 12 . 1 1 40 40 SER CB C 39 65.000 65.000 63.819 1.181 17879 7441 1 12 . 1 1 40 40 SER H H 39 7.346 7.346 7.979 -0.633 17879 7442 1 12 . 1 1 41 41 ASP N N 40 127.375 127.375 120.379 6.996 17879 7443 1 12 . 1 1 41 41 ASP HA H 40 4.782 4.782 4.700 0.082 17879 7444 1 12 . 1 1 41 41 ASP C C 40 175.205 175.205 176.795 -1.590 17879 7445 1 12 . 1 1 41 41 ASP CA C 40 53.549 53.549 53.702 -0.153 17879 7446 1 12 . 1 1 41 41 ASP CB C 40 39.916 39.916 41.534 -1.618 17879 7447 1 12 . 1 1 41 41 ASP H H 40 8.744 8.744 8.424 0.320 17879 7448 1 12 . 1 1 42 42 ILE N N 41 122.943 122.943 120.206 2.737 17879 7449 1 12 . 1 1 42 42 ILE HA H 41 4.661 4.661 4.361 0.300 17879 7450 1 12 . 1 1 42 42 ILE CA C 41 59.133 59.133 59.764 -0.631 17879 7451 1 12 . 1 1 42 42 ILE CB C 41 40.534 40.534 37.791 2.743 17879 7452 1 12 . 1 1 42 42 ILE H H 41 7.649 7.649 7.670 -0.021 17879 7453 1 12 . 1 1 43 43 PRO HA H 42 4.414 4.414 4.548 -0.134 17879 7454 1 12 . 1 1 43 43 PRO C C 42 175.952 175.952 176.402 -0.450 17879 7455 1 12 . 1 1 43 43 PRO CA C 42 63.829 63.829 62.594 1.235 17879 7456 1 12 . 1 1 43 43 PRO CB C 42 32.895 32.895 32.235 0.660 17879 7457 1 12 . 1 1 44 44 GLU N N 43 120.369 120.369 122.358 -1.989 17879 7458 1 12 . 1 1 44 44 GLU HA H 43 4.298 4.298 4.172 0.126 17879 7459 1 12 . 1 1 44 44 GLU C C 43 175.316 175.316 176.587 -1.271 17879 7460 1 12 . 1 1 44 44 GLU CA C 43 56.400 56.400 57.026 -0.626 17879 7461 1 12 . 1 1 44 44 GLU CB C 43 31.282 31.282 30.513 0.769 17879 7462 1 12 . 1 1 44 44 GLU H H 43 8.393 8.393 8.458 -0.065 17879 7463 1 12 . 1 1 45 45 ILE N N 44 123.670 123.670 121.539 2.131 17879 7464 1 12 . 1 1 45 45 ILE HA H 44 4.419 4.419 4.341 0.078 17879 7465 1 12 . 1 1 45 45 ILE C C 44 174.786 174.786 176.710 -1.924 17879 7466 1 12 . 1 1 45 45 ILE CA C 44 61.027 61.027 60.187 0.840 17879 7467 1 12 . 1 1 45 45 ILE CB C 44 40.509 40.509 39.800 0.709 17879 7468 1 12 . 1 1 45 45 ILE H H 44 8.067 8.067 8.181 -0.114 17879 7469 1 12 . 1 1 46 46 ASP N N 45 123.340 123.340 122.572 0.768 17879 7470 1 12 . 1 1 46 46 ASP HA H 45 4.412 4.412 4.434 -0.022 17879 7471 1 12 . 1 1 46 46 ASP C C 45 175.494 175.494 176.109 -0.615 17879 7472 1 12 . 1 1 46 46 ASP CA C 45 55.467 55.467 56.466 -0.999 17879 7473 1 12 . 1 1 46 46 ASP CB C 45 40.320 40.320 40.888 -0.568 17879 7474 1 12 . 1 1 46 46 ASP H H 45 8.468 8.468 8.982 -0.514 17879 7475 1 12 . 1 1 47 47 LYS N N 46 121.295 121.295 116.874 4.421 17879 7476 1 12 . 1 1 47 47 LYS HA H 46 4.428 4.428 4.836 -0.408 17879 7477 1 12 . 1 1 47 47 LYS CA C 46 56.020 56.020 54.633 1.387 17879 7478 1 12 . 1 1 47 47 LYS CB C 46 34.644 34.644 35.380 -0.736 17879 7479 1 12 . 1 1 47 47 LYS H H 46 7.319 7.319 7.489 -0.170 17879 7480 1 12 . 1 1 48 48 ARG N N 47 124.949 124.949 120.276 4.673 17879 7481 1 12 . 1 1 48 48 ARG HA H 47 5.271 5.271 4.934 0.337 17879 7482 1 12 . 1 1 48 48 ARG C C 47 173.546 173.546 175.054 -1.508 17879 7483 1 12 . 1 1 48 48 ARG CA C 47 55.581 55.581 55.402 0.179 17879 7484 1 12 . 1 1 48 48 ARG CB C 47 32.992 32.992 30.804 2.188 17879 7485 1 12 . 1 1 48 48 ARG H H 47 8.558 8.558 8.315 0.243 17879 7486 1 12 . 1 1 49 49 LYS N N 48 122.812 122.812 123.834 -1.022 17879 7487 1 12 . 1 1 49 49 LYS HA H 48 5.030 5.030 4.276 0.754 17879 7488 1 12 . 1 1 49 49 LYS C C 48 174.301 174.301 174.264 0.037 17879 7489 1 12 . 1 1 49 49 LYS CA C 48 55.042 55.042 55.985 -0.943 17879 7490 1 12 . 1 1 49 49 LYS CB C 48 34.065 34.065 34.582 -0.517 17879 7491 1 12 . 1 1 49 49 LYS H H 48 7.440 7.440 8.480 -1.040 17879 7492 1 12 . 1 1 50 50 TYR N N 49 124.842 124.842 125.545 -0.703 17879 7493 1 12 . 1 1 50 50 TYR HA H 49 4.721 4.721 4.575 0.146 17879 7494 1 12 . 1 1 50 50 TYR C C 49 173.674 173.674 173.800 -0.126 17879 7495 1 12 . 1 1 50 50 TYR CA C 49 57.192 57.192 57.329 -0.137 17879 7496 1 12 . 1 1 50 50 TYR CB C 49 43.123 43.123 42.081 1.042 17879 7497 1 12 . 1 1 50 50 TYR H H 49 9.590 9.590 9.203 0.387 17879 7498 1 12 . 1 1 51 51 LEU N N 50 124.138 124.138 127.147 -3.009 17879 7499 1 12 . 1 1 51 51 LEU HA H 50 4.753 4.753 4.723 0.030 17879 7500 1 12 . 1 1 51 51 LEU C C 50 176.050 176.050 175.527 0.523 17879 7501 1 12 . 1 1 51 51 LEU CA C 50 53.158 53.158 53.019 0.139 17879 7502 1 12 . 1 1 51 51 LEU CB C 50 41.155 41.155 41.784 -0.629 17879 7503 1 12 . 1 1 51 51 LEU H H 50 8.901 8.901 8.722 0.179 17879 7504 1 12 . 1 1 52 52 VAL N N 51 123.181 123.181 120.046 3.135 17879 7505 1 12 . 1 1 52 52 VAL HA H 51 3.948 3.948 4.431 -0.483 17879 7506 1 12 . 1 1 52 52 VAL CA C 51 59.724 59.724 59.044 0.680 17879 7507 1 12 . 1 1 52 52 VAL CB C 51 33.605 33.605 31.798 1.807 17879 7508 1 12 . 1 1 52 52 VAL H H 51 8.513 8.513 7.801 0.712 17879 7509 1 12 . 1 1 53 53 PRO HA H 52 4.305 4.305 4.322 -0.017 17879 7510 1 12 . 1 1 53 53 PRO C C 52 176.607 176.607 175.967 0.640 17879 7511 1 12 . 1 1 53 53 PRO CA C 52 63.950 63.950 61.946 2.004 17879 7512 1 12 . 1 1 53 53 PRO CB C 52 32.163 32.163 32.397 -0.234 17879 7513 1 12 . 1 1 54 54 ALA N N 53 123.771 123.771 119.942 3.829 17879 7514 1 12 . 1 1 54 54 ALA HA H 53 3.720 3.720 4.188 -0.468 17879 7515 1 12 . 1 1 54 54 ALA C C 53 176.409 176.409 176.700 -0.291 17879 7516 1 12 . 1 1 54 54 ALA CA C 53 54.742 54.742 52.541 2.200 17879 7517 1 12 . 1 1 54 54 ALA CB C 53 18.948 18.948 19.267 -0.319 17879 7518 1 12 . 1 1 54 54 ALA H H 53 7.926 7.926 8.384 -0.458 17879 7519 1 12 . 1 1 55 55 ASP N N 54 111.152 111.152 117.902 -6.750 17879 7520 1 12 . 1 1 55 55 ASP HA H 54 4.621 4.621 4.622 -0.001 17879 7521 1 12 . 1 1 55 55 ASP C C 54 175.823 175.823 176.163 -0.340 17879 7522 1 12 . 1 1 55 55 ASP CA C 54 52.744 52.744 54.392 -1.648 17879 7523 1 12 . 1 1 55 55 ASP CB C 54 39.861 39.861 41.014 -1.153 17879 7524 1 12 . 1 1 55 55 ASP H H 54 8.106 8.106 7.934 0.172 17879 7525 1 12 . 1 1 56 56 LEU N N 55 121.263 121.263 123.065 -1.802 17879 7526 1 12 . 1 1 56 56 LEU HA H 55 4.351 4.351 4.323 0.028 17879 7527 1 12 . 1 1 56 56 LEU C C 55 177.459 177.459 176.982 0.477 17879 7528 1 12 . 1 1 56 56 LEU CA C 55 55.472 55.472 55.031 0.441 17879 7529 1 12 . 1 1 56 56 LEU CB C 55 43.593 43.593 42.343 1.250 17879 7530 1 12 . 1 1 56 56 LEU H H 55 7.295 7.295 7.810 -0.515 17879 7531 1 12 . 1 1 57 57 THR N N 56 114.222 114.222 117.056 -2.834 17879 7532 1 12 . 1 1 57 57 THR HA H 56 5.233 5.233 4.642 0.591 17879 7533 1 12 . 1 1 57 57 THR C C 56 176.538 176.538 175.734 0.804 17879 7534 1 12 . 1 1 57 57 THR CA C 56 60.318 60.318 61.079 -0.761 17879 7535 1 12 . 1 1 57 57 THR CB C 56 71.303 71.303 70.860 0.443 17879 7536 1 12 . 1 1 57 57 THR H H 56 8.476 8.476 8.115 0.361 17879 7537 1 12 . 1 1 58 58 VAL N N 57 122.331 122.331 120.496 1.835 17879 7538 1 12 . 1 1 58 58 VAL HA H 57 3.738 3.738 4.088 -0.350 17879 7539 1 12 . 1 1 58 58 VAL C C 57 178.743 178.743 178.127 0.616 17879 7540 1 12 . 1 1 58 58 VAL CA C 57 66.797 66.797 65.971 0.826 17879 7541 1 12 . 1 1 58 58 VAL CB C 57 31.801 31.801 31.965 -0.164 17879 7542 1 12 . 1 1 58 58 VAL H H 57 8.806 8.806 7.908 0.898 17879 7543 1 12 . 1 1 59 59 GLY N N 58 105.470 105.470 105.581 -0.111 17879 7544 1 12 . 1 1 59 59 GLY C C 58 176.924 176.924 176.345 0.579 17879 7545 1 12 . 1 1 59 59 GLY CA C 58 47.317 47.317 47.008 0.309 17879 7546 1 12 . 1 1 59 59 GLY H H 58 9.381 9.381 7.982 1.399 17879 7547 1 12 . 1 1 60 60 GLN N N 59 121.492 121.492 119.497 1.995 17879 7548 1 12 . 1 1 60 60 GLN HA H 59 4.166 4.166 4.321 -0.155 17879 7549 1 12 . 1 1 60 60 GLN C C 59 178.605 178.605 178.193 0.412 17879 7550 1 12 . 1 1 60 60 GLN CA C 59 58.764 58.764 57.735 1.029 17879 7551 1 12 . 1 1 60 60 GLN CB C 59 29.129 29.129 28.952 0.177 17879 7552 1 12 . 1 1 60 60 GLN H H 59 8.027 8.027 7.905 0.122 17879 7553 1 12 . 1 1 61 61 PHE N N 60 122.595 122.595 121.814 0.781 17879 7554 1 12 . 1 1 61 61 PHE HA H 60 4.291 4.291 4.269 0.022 17879 7555 1 12 . 1 1 61 61 PHE C C 60 176.690 176.690 177.241 -0.551 17879 7556 1 12 . 1 1 61 61 PHE CA C 60 61.502 61.502 58.863 2.639 17879 7557 1 12 . 1 1 61 61 PHE CB C 60 39.155 39.155 38.950 0.205 17879 7558 1 12 . 1 1 61 61 PHE H H 60 8.522 8.522 7.953 0.569 17879 7559 1 12 . 1 1 62 62 VAL N N 61 118.720 118.720 119.218 -0.498 17879 7560 1 12 . 1 1 62 62 VAL HA H 61 3.070 3.070 3.046 0.024 17879 7561 1 12 . 1 1 62 62 VAL C C 61 176.872 176.872 177.310 -0.438 17879 7562 1 12 . 1 1 62 62 VAL CA C 61 67.040 67.040 66.671 0.369 17879 7563 1 12 . 1 1 62 62 VAL CB C 61 31.119 31.119 31.263 -0.144 17879 7564 1 12 . 1 1 62 62 VAL H H 61 8.705 8.705 8.128 0.577 17879 7565 1 12 . 1 1 63 63 TYR N N 62 118.462 118.462 119.298 -0.836 17879 7566 1 12 . 1 1 63 63 TYR HA H 62 3.987 3.987 4.049 -0.062 17879 7567 1 12 . 1 1 63 63 TYR C C 62 177.325 177.325 176.714 0.611 17879 7568 1 12 . 1 1 63 63 TYR CA C 62 61.685 61.685 60.582 1.103 17879 7569 1 12 . 1 1 63 63 TYR CB C 62 37.906 37.906 37.627 0.279 17879 7570 1 12 . 1 1 63 63 TYR H H 62 7.373 7.373 7.811 -0.438 17879 7571 1 12 . 1 1 64 64 VAL N N 63 119.137 119.137 117.048 2.089 17879 7572 1 12 . 1 1 64 64 VAL HA H 63 3.342 3.342 3.043 0.299 17879 7573 1 12 . 1 1 64 64 VAL C C 63 178.326 178.326 177.874 0.452 17879 7574 1 12 . 1 1 64 64 VAL CA C 63 66.615 66.615 65.341 1.274 17879 7575 1 12 . 1 1 64 64 VAL CB C 63 31.157 31.157 31.521 -0.364 17879 7576 1 12 . 1 1 64 64 VAL H H 63 7.376 7.376 7.949 -0.573 17879 7577 1 12 . 1 1 65 65 ILE N N 64 118.858 118.858 119.244 -0.386 17879 7578 1 12 . 1 1 65 65 ILE HA H 64 3.279 3.279 3.778 -0.499 17879 7579 1 12 . 1 1 65 65 ILE C C 64 177.653 177.653 178.194 -0.541 17879 7580 1 12 . 1 1 65 65 ILE CA C 64 63.682 63.682 61.300 2.382 17879 7581 1 12 . 1 1 65 65 ILE CB C 64 36.150 36.150 35.882 0.268 17879 7582 1 12 . 1 1 65 65 ILE H H 64 7.366 7.366 7.584 -0.218 17879 7583 1 12 . 1 1 66 66 ARG N N 65 118.729 118.729 118.879 -0.150 17879 7584 1 12 . 1 1 66 66 ARG HA H 65 3.397 3.397 4.072 -0.675 17879 7585 1 12 . 1 1 66 66 ARG C C 65 178.284 178.284 177.309 0.975 17879 7586 1 12 . 1 1 66 66 ARG CA C 65 60.078 60.078 57.679 2.399 17879 7587 1 12 . 1 1 66 66 ARG CB C 65 30.022 30.022 29.904 0.118 17879 7588 1 12 . 1 1 66 66 ARG H H 65 8.463 8.463 8.371 0.092 17879 7589 1 12 . 1 1 67 67 LYS N N 66 116.643 116.643 118.682 -2.039 17879 7590 1 12 . 1 1 67 67 LYS HA H 66 3.951 3.951 4.248 -0.297 17879 7591 1 12 . 1 1 67 67 LYS C C 66 178.989 178.989 178.540 0.449 17879 7592 1 12 . 1 1 67 67 LYS CA C 66 58.347 58.347 58.295 0.052 17879 7593 1 12 . 1 1 67 67 LYS CB C 66 31.938 31.938 32.609 -0.671 17879 7594 1 12 . 1 1 67 67 LYS H H 66 7.536 7.536 7.557 -0.021 17879 7595 1 12 . 1 1 68 68 ARG N N 67 119.051 119.051 118.984 0.067 17879 7596 1 12 . 1 1 68 68 ARG HA H 67 4.104 4.104 4.141 -0.037 17879 7597 1 12 . 1 1 68 68 ARG C C 67 178.122 178.122 178.030 0.092 17879 7598 1 12 . 1 1 68 68 ARG CA C 67 58.182 58.182 58.737 -0.555 17879 7599 1 12 . 1 1 68 68 ARG CB C 67 30.273 30.273 30.775 -0.502 17879 7600 1 12 . 1 1 68 68 ARG H H 67 7.783 7.783 7.679 0.104 17879 7601 1 12 . 1 1 69 69 ILE N N 68 112.456 112.456 112.331 0.125 17879 7602 1 12 . 1 1 69 69 ILE HA H 68 4.223 4.223 4.376 -0.153 17879 7603 1 12 . 1 1 69 69 ILE C C 68 174.568 174.568 175.002 -0.434 17879 7604 1 12 . 1 1 69 69 ILE CA C 68 61.502 61.502 60.260 1.242 17879 7605 1 12 . 1 1 69 69 ILE CB C 68 38.643 38.643 38.334 0.310 17879 7606 1 12 . 1 1 69 69 ILE H H 68 7.675 7.675 7.211 0.464 17879 7607 1 12 . 1 1 70 70 MET N N 69 118.509 118.509 114.029 4.480 17879 7608 1 12 . 1 1 70 70 MET HA H 69 3.982 3.982 4.152 -0.170 17879 7609 1 12 . 1 1 70 70 MET C C 69 175.482 175.482 175.077 0.405 17879 7610 1 12 . 1 1 70 70 MET CA C 69 55.811 55.811 56.009 -0.198 17879 7611 1 12 . 1 1 70 70 MET CB C 69 29.392 29.392 30.248 -0.856 17879 7612 1 12 . 1 1 70 70 MET H H 69 7.805 7.805 7.123 0.682 17879 7613 1 12 . 1 1 71 71 LEU N N 70 121.952 121.952 120.709 1.243 17879 7614 1 12 . 1 1 71 71 LEU HA H 70 4.603 4.603 4.249 0.354 17879 7615 1 12 . 1 1 71 71 LEU CA C 70 52.560 52.560 54.368 -1.808 17879 7616 1 12 . 1 1 71 71 LEU CB C 70 44.045 44.045 41.961 2.084 17879 7617 1 12 . 1 1 71 71 LEU H H 70 7.493 7.493 7.517 -0.024 17879 7618 1 12 . 1 1 72 72 PRO HA H 71 4.678 4.678 4.804 -0.126 17879 7619 1 12 . 1 1 72 72 PRO CA C 71 62.124 62.124 61.102 1.022 17879 7620 1 12 . 1 1 72 72 PRO CB C 71 31.307 31.307 31.293 0.014 17879 7621 1 12 . 1 1 73 73 PRO HA H 72 4.123 4.123 4.379 -0.256 17879 7622 1 12 . 1 1 73 73 PRO C C 72 177.052 177.052 176.614 0.438 17879 7623 1 12 . 1 1 73 73 PRO CA C 72 64.924 64.924 64.294 0.630 17879 7624 1 12 . 1 1 73 73 PRO CB C 72 32.049 32.049 32.070 -0.021 17879 7625 1 12 . 1 1 74 74 GLU N N 73 115.091 115.091 115.895 -0.804 17879 7626 1 12 . 1 1 74 74 GLU HA H 73 4.181 4.181 4.345 -0.164 17879 7627 1 12 . 1 1 74 74 GLU C C 73 176.459 176.459 176.627 -0.168 17879 7628 1 12 . 1 1 74 74 GLU CA C 73 57.774 57.774 56.173 1.601 17879 7629 1 12 . 1 1 74 74 GLU CB C 73 28.321 28.321 29.330 -1.009 17879 7630 1 12 . 1 1 74 74 GLU H H 73 9.065 9.065 8.473 0.592 17879 7631 1 12 . 1 1 75 75 LYS N N 74 121.755 121.755 120.112 1.643 17879 7632 1 12 . 1 1 75 75 LYS HA H 74 4.520 4.520 4.516 0.004 17879 7633 1 12 . 1 1 75 75 LYS C C 74 174.789 174.789 174.679 0.110 17879 7634 1 12 . 1 1 75 75 LYS CA C 74 54.789 54.789 55.191 -0.401 17879 7635 1 12 . 1 1 75 75 LYS CB C 74 32.882 32.882 35.024 -2.142 17879 7636 1 12 . 1 1 75 75 LYS H H 74 7.797 7.797 7.551 0.246 17879 7637 1 12 . 1 1 76 76 ALA N N 75 127.848 127.848 121.108 6.740 17879 7638 1 12 . 1 1 76 76 ALA HA H 75 4.072 4.072 4.580 -0.508 17879 7639 1 12 . 1 1 76 76 ALA C C 75 175.710 175.710 174.717 0.993 17879 7640 1 12 . 1 1 76 76 ALA CA C 75 52.226 52.226 51.244 0.982 17879 7641 1 12 . 1 1 76 76 ALA CB C 75 20.956 20.956 21.704 -0.748 17879 7642 1 12 . 1 1 76 76 ALA H H 75 8.410 8.410 8.382 0.028 17879 7643 1 12 . 1 1 77 77 ILE N N 76 114.298 114.298 120.954 -6.656 17879 7644 1 12 . 1 1 77 77 ILE HA H 76 4.593 4.593 5.132 -0.539 17879 7645 1 12 . 1 1 77 77 ILE C C 76 172.379 172.379 174.084 -1.705 17879 7646 1 12 . 1 1 77 77 ILE CA C 76 59.699 59.699 60.639 -0.940 17879 7647 1 12 . 1 1 77 77 ILE CB C 76 41.218 41.218 40.723 0.495 17879 7648 1 12 . 1 1 77 77 ILE H H 76 7.193 7.193 7.926 -0.733 17879 7649 1 12 . 1 1 78 78 PHE N N 77 124.094 124.094 127.071 -2.977 17879 7650 1 12 . 1 1 78 78 PHE HA H 77 4.556 4.556 4.861 -0.305 17879 7651 1 12 . 1 1 78 78 PHE C C 77 174.359 174.359 174.820 -0.461 17879 7652 1 12 . 1 1 78 78 PHE CA C 77 56.596 56.596 56.434 0.162 17879 7653 1 12 . 1 1 78 78 PHE CB C 77 42.370 42.370 42.172 0.198 17879 7654 1 12 . 1 1 78 78 PHE H H 77 8.931 8.931 9.425 -0.494 17879 7655 1 12 . 1 1 79 79 ILE N N 78 117.724 117.724 120.578 -2.854 17879 7656 1 12 . 1 1 79 79 ILE HA H 78 5.233 5.233 5.209 0.024 17879 7657 1 12 . 1 1 79 79 ILE C C 78 173.334 173.334 175.493 -2.159 17879 7658 1 12 . 1 1 79 79 ILE CA C 78 58.130 58.130 60.466 -2.336 17879 7659 1 12 . 1 1 79 79 ILE CB C 78 39.360 39.360 39.173 0.187 17879 7660 1 12 . 1 1 79 79 ILE H H 78 8.025 8.025 8.665 -0.640 17879 7661 1 12 . 1 1 80 80 PHE N N 79 121.084 121.084 121.590 -0.506 17879 7662 1 12 . 1 1 80 80 PHE HA H 79 5.365 5.365 4.944 0.421 17879 7663 1 12 . 1 1 80 80 PHE C C 79 176.270 176.270 174.059 2.211 17879 7664 1 12 . 1 1 80 80 PHE CA C 79 55.948 55.948 57.377 -1.429 17879 7665 1 12 . 1 1 80 80 PHE CB C 79 42.763 42.763 43.539 -0.776 17879 7666 1 12 . 1 1 80 80 PHE H H 79 9.210 9.210 8.812 0.398 17879 7667 1 12 . 1 1 81 81 VAL N N 80 117.974 117.974 122.066 -4.092 17879 7668 1 12 . 1 1 81 81 VAL HA H 80 4.520 4.520 4.544 -0.024 17879 7669 1 12 . 1 1 81 81 VAL C C 80 175.699 175.699 175.383 0.316 17879 7670 1 12 . 1 1 81 81 VAL CA C 80 60.484 60.484 61.621 -1.137 17879 7671 1 12 . 1 1 81 81 VAL CB C 80 34.263 34.263 33.307 0.956 17879 7672 1 12 . 1 1 81 81 VAL H H 80 8.832 8.832 9.026 -0.194 17879 7673 1 12 . 1 1 82 82 ASN N N 81 127.615 127.615 124.843 2.772 17879 7674 1 12 . 1 1 82 82 ASN HA H 81 4.339 4.339 4.419 -0.080 17879 7675 1 12 . 1 1 82 82 ASN C C 81 174.036 174.036 174.234 -0.198 17879 7676 1 12 . 1 1 82 82 ASN CA C 81 55.231 55.231 54.043 1.188 17879 7677 1 12 . 1 1 82 82 ASN CB C 81 37.408 37.408 37.356 0.052 17879 7678 1 12 . 1 1 82 82 ASN H H 81 9.689 9.689 9.149 0.540 17879 7679 1 12 . 1 1 83 83 ASP N N 82 112.699 112.699 111.481 1.218 17879 7680 1 12 . 1 1 83 83 ASP HA H 82 4.135 4.135 4.302 -0.167 17879 7681 1 12 . 1 1 83 83 ASP C C 82 174.560 174.560 174.781 -0.221 17879 7682 1 12 . 1 1 83 83 ASP CA C 82 55.638 55.638 55.244 0.394 17879 7683 1 12 . 1 1 83 83 ASP CB C 82 39.564 39.564 39.840 -0.276 17879 7684 1 12 . 1 1 83 83 ASP H H 82 8.772 8.772 8.480 0.292 17879 7685 1 12 . 1 1 84 84 THR N N 83 112.567 112.567 113.621 -1.054 17879 7686 1 12 . 1 1 84 84 THR HA H 83 4.715 4.715 4.408 0.307 17879 7687 1 12 . 1 1 84 84 THR C C 83 172.200 172.200 172.796 -0.596 17879 7688 1 12 . 1 1 84 84 THR CA C 83 60.868 60.868 61.074 -0.206 17879 7689 1 12 . 1 1 84 84 THR CB C 83 72.206 72.206 71.169 1.037 17879 7690 1 12 . 1 1 84 84 THR H H 83 8.080 8.080 7.243 0.837 17879 7691 1 12 . 1 1 85 85 LEU N N 84 125.810 125.810 128.912 -3.102 17879 7692 1 12 . 1 1 85 85 LEU HA H 84 5.127 5.127 4.574 0.553 17879 7693 1 12 . 1 1 85 85 LEU CA C 84 51.927 51.927 51.737 0.190 17879 7694 1 12 . 1 1 85 85 LEU CB C 84 42.779 42.779 42.979 -0.200 17879 7695 1 12 . 1 1 85 85 LEU H H 84 8.520 8.520 8.454 0.066 17879 7696 1 12 . 1 1 86 86 PRO HA H 85 4.835 4.835 4.735 0.100 17879 7697 1 12 . 1 1 86 86 PRO CA C 85 60.910 60.910 61.262 -0.352 17879 7698 1 12 . 1 1 86 86 PRO CB C 85 30.852 30.852 31.076 -0.224 17879 7699 1 12 . 1 1 87 87 PRO HA H 86 4.577 4.577 4.517 0.060 17879 7700 1 12 . 1 1 87 87 PRO C C 86 177.830 177.830 176.704 1.126 17879 7701 1 12 . 1 1 87 87 PRO CA C 86 62.424 62.424 62.447 -0.023 17879 7702 1 12 . 1 1 87 87 PRO CB C 86 31.910 31.910 32.243 -0.333 17879 7703 1 12 . 1 1 88 88 THR N N 87 114.642 114.642 107.757 6.885 17879 7704 1 12 . 1 1 88 88 THR HA H 87 3.802 3.802 4.346 -0.544 17879 7705 1 12 . 1 1 88 88 THR C C 87 175.702 175.702 175.969 -0.267 17879 7706 1 12 . 1 1 88 88 THR CA C 87 65.079 65.079 64.283 0.796 17879 7707 1 12 . 1 1 88 88 THR CB C 87 68.818 68.818 68.943 -0.125 17879 7708 1 12 . 1 1 88 88 THR H H 87 8.291 8.291 8.050 0.241 17879 7709 1 12 . 1 1 89 89 ALA N N 88 119.706 119.706 123.057 -3.351 17879 7710 1 12 . 1 1 89 89 ALA HA H 88 4.420 4.420 4.311 0.109 17879 7711 1 12 . 1 1 89 89 ALA C C 88 177.690 177.690 178.217 -0.527 17879 7712 1 12 . 1 1 89 89 ALA CA C 88 52.118 52.118 52.359 -0.241 17879 7713 1 12 . 1 1 89 89 ALA CB C 88 19.334 19.334 17.541 1.793 17879 7714 1 12 . 1 1 89 89 ALA H H 88 8.031 8.031 8.135 -0.104 17879 7715 1 12 . 1 1 90 90 ALA N N 89 120.388 120.388 122.305 -1.917 17879 7716 1 12 . 1 1 90 90 ALA HA H 89 4.179 4.179 4.355 -0.176 17879 7717 1 12 . 1 1 90 90 ALA C C 89 176.520 176.520 176.562 -0.042 17879 7718 1 12 . 1 1 90 90 ALA CA C 89 52.454 52.454 51.179 1.275 17879 7719 1 12 . 1 1 90 90 ALA CB C 89 19.301 19.301 17.192 2.110 17879 7720 1 12 . 1 1 90 90 ALA H H 89 7.465 7.465 8.054 -0.589 17879 7721 1 12 . 1 1 91 91 LEU N N 90 119.307 119.307 122.120 -2.813 17879 7722 1 12 . 1 1 91 91 LEU HA H 90 4.490 4.490 3.978 0.512 17879 7723 1 12 . 1 1 91 91 LEU C C 90 179.555 179.555 177.951 1.604 17879 7724 1 12 . 1 1 91 91 LEU CA C 90 54.578 54.578 56.169 -1.591 17879 7725 1 12 . 1 1 91 91 LEU CB C 90 42.689 42.689 41.882 0.807 17879 7726 1 12 . 1 1 91 91 LEU H H 90 8.458 8.458 8.443 0.015 17879 7727 1 12 . 1 1 92 92 MET N N 91 121.586 121.586 124.242 -2.656 17879 7728 1 12 . 1 1 92 92 MET HA H 91 4.231 4.231 4.059 0.172 17879 7729 1 12 . 1 1 92 92 MET C C 91 178.860 178.860 178.633 0.227 17879 7730 1 12 . 1 1 92 92 MET CA C 91 56.938 56.938 57.955 -1.017 17879 7731 1 12 . 1 1 92 92 MET CB C 91 29.372 29.372 31.154 -1.782 17879 7732 1 12 . 1 1 92 92 MET H H 91 9.203 9.203 8.351 0.852 17879 7733 1 12 . 1 1 93 93 SER N N 92 112.826 112.826 115.438 -2.612 17879 7734 1 12 . 1 1 93 93 SER HA H 92 3.978 3.978 4.135 -0.157 17879 7735 1 12 . 1 1 93 93 SER C C 92 176.318 176.318 176.100 0.218 17879 7736 1 12 . 1 1 93 93 SER CA C 92 60.871 60.871 61.066 -0.195 17879 7737 1 12 . 1 1 93 93 SER CB C 92 61.575 61.575 62.887 -1.312 17879 7738 1 12 . 1 1 93 93 SER H H 92 8.717 8.717 8.428 0.289 17879 7739 1 12 . 1 1 94 94 ALA N N 93 126.735 126.735 123.491 3.244 17879 7740 1 12 . 1 1 94 94 ALA HA H 93 4.357 4.357 4.253 0.104 17879 7741 1 12 . 1 1 94 94 ALA C C 93 180.789 180.789 178.802 1.987 17879 7742 1 12 . 1 1 94 94 ALA CA C 93 54.841 54.841 54.164 0.676 17879 7743 1 12 . 1 1 94 94 ALA CB C 93 18.603 18.603 18.590 0.013 17879 7744 1 12 . 1 1 94 94 ALA H H 93 7.058 7.058 7.809 -0.751 17879 7745 1 12 . 1 1 95 95 ILE N N 94 118.720 118.720 117.484 1.236 17879 7746 1 12 . 1 1 95 95 ILE HA H 94 4.063 4.063 4.119 -0.056 17879 7747 1 12 . 1 1 95 95 ILE C C 94 178.326 178.326 177.548 0.778 17879 7748 1 12 . 1 1 95 95 ILE CA C 94 62.755 62.755 62.672 0.083 17879 7749 1 12 . 1 1 95 95 ILE CB C 94 36.410 36.410 37.974 -1.565 17879 7750 1 12 . 1 1 95 95 ILE H H 94 7.872 7.872 7.638 0.234 17879 7751 1 12 . 1 1 96 96 TYR N N 95 120.697 120.697 119.178 1.519 17879 7752 1 12 . 1 1 96 96 TYR HA H 95 4.007 4.007 4.297 -0.290 17879 7753 1 12 . 1 1 96 96 TYR C C 95 176.022 176.022 176.358 -0.336 17879 7754 1 12 . 1 1 96 96 TYR CA C 95 62.187 62.187 59.927 2.260 17879 7755 1 12 . 1 1 96 96 TYR CB C 95 39.093 39.093 38.611 0.482 17879 7756 1 12 . 1 1 96 96 TYR H H 95 8.841 8.841 8.237 0.604 17879 7757 1 12 . 1 1 97 97 GLN N N 96 114.982 114.982 118.062 -3.080 17879 7758 1 12 . 1 1 97 97 GLN HA H 96 3.778 3.778 4.363 -0.585 17879 7759 1 12 . 1 1 97 97 GLN C C 96 177.250 177.250 175.893 1.357 17879 7760 1 12 . 1 1 97 97 GLN CA C 96 58.719 58.719 56.758 1.961 17879 7761 1 12 . 1 1 97 97 GLN CB C 96 28.286 28.286 29.033 -0.747 17879 7762 1 12 . 1 1 97 97 GLN H H 96 7.757 7.757 8.061 -0.304 17879 7763 1 12 . 1 1 98 98 GLU N N 97 114.340 114.340 117.493 -3.153 17879 7764 1 12 . 1 1 98 98 GLU HA H 97 4.099 4.099 4.317 -0.218 17879 7765 1 12 . 1 1 98 98 GLU C C 97 178.140 178.140 177.060 1.080 17879 7766 1 12 . 1 1 98 98 GLU CA C 97 57.886 57.886 56.703 1.183 17879 7767 1 12 . 1 1 98 98 GLU CB C 97 31.589 31.589 31.288 0.301 17879 7768 1 12 . 1 1 98 98 GLU H H 97 7.117 7.117 7.719 -0.602 17879 7769 1 12 . 1 1 99 99 HIS N N 98 113.377 113.377 117.651 -4.274 17879 7770 1 12 . 1 1 99 99 HIS HA H 98 4.829 4.829 4.785 0.044 17879 7771 1 12 . 1 1 99 99 HIS C C 98 175.856 175.856 174.281 1.575 17879 7772 1 12 . 1 1 99 99 HIS CA C 98 56.738 56.738 54.300 2.438 17879 7773 1 12 . 1 1 99 99 HIS CB C 98 32.930 32.930 30.603 2.327 17879 7774 1 12 . 1 1 99 99 HIS H H 98 8.247 8.247 7.945 0.302 17879 7775 1 12 . 1 1 100 100 LYS N N 99 120.905 120.905 118.764 2.141 17879 7776 1 12 . 1 1 100 100 LYS HA H 99 3.994 3.994 3.927 0.067 17879 7777 1 12 . 1 1 100 100 LYS C C 99 174.832 174.832 175.371 -0.539 17879 7778 1 12 . 1 1 100 100 LYS CA C 99 57.693 57.693 56.520 1.173 17879 7779 1 12 . 1 1 100 100 LYS CB C 99 31.703 31.703 32.548 -0.845 17879 7780 1 12 . 1 1 100 100 LYS H H 99 8.065 8.065 7.631 0.434 17879 7781 1 12 . 1 1 101 101 ASP N N 100 124.188 124.188 120.633 3.555 17879 7782 1 12 . 1 1 101 101 ASP HA H 100 4.765 4.765 4.851 -0.086 17879 7783 1 12 . 1 1 101 101 ASP C C 100 177.692 177.692 176.351 1.341 17879 7784 1 12 . 1 1 101 101 ASP CA C 100 54.030 54.030 52.330 1.700 17879 7785 1 12 . 1 1 101 101 ASP CB C 100 43.429 43.429 43.742 -0.313 17879 7786 1 12 . 1 1 101 101 ASP H H 100 9.027 9.027 7.923 1.104 17879 7787 1 12 . 1 1 102 102 LYS N N 101 125.898 125.898 119.219 6.679 17879 7788 1 12 . 1 1 102 102 LYS HA H 101 4.239 4.239 4.226 0.013 17879 7789 1 12 . 1 1 102 102 LYS C C 101 178.053 178.053 176.838 1.215 17879 7790 1 12 . 1 1 102 102 LYS CA C 101 59.482 59.482 59.194 0.288 17879 7791 1 12 . 1 1 102 102 LYS CB C 101 32.821 32.821 32.830 -0.009 17879 7792 1 12 . 1 1 102 102 LYS H H 101 8.678 8.678 8.895 -0.217 17879 7793 1 12 . 1 1 103 103 ASP N N 102 119.326 119.326 113.724 5.602 17879 7794 1 12 . 1 1 103 103 ASP HA H 102 4.127 4.127 4.249 -0.122 17879 7795 1 12 . 1 1 103 103 ASP C C 102 176.833 176.833 177.149 -0.316 17879 7796 1 12 . 1 1 103 103 ASP CA C 102 54.666 54.666 53.991 0.675 17879 7797 1 12 . 1 1 103 103 ASP CB C 102 39.848 39.848 40.547 -0.699 17879 7798 1 12 . 1 1 103 103 ASP H H 102 10.276 10.276 8.329 1.947 17879 7799 1 12 . 1 1 104 104 GLY N N 103 106.059 106.059 107.354 -1.295 17879 7800 1 12 . 1 1 104 104 GLY C C 103 174.655 174.655 174.003 0.652 17879 7801 1 12 . 1 1 104 104 GLY CA C 103 45.319 45.319 45.988 -0.669 17879 7802 1 12 . 1 1 104 104 GLY H H 103 8.173 8.173 8.087 0.086 17879 7803 1 12 . 1 1 105 105 PHE N N 104 121.781 121.781 122.125 -0.344 17879 7804 1 12 . 1 1 105 105 PHE HA H 104 4.682 4.682 4.443 0.239 17879 7805 1 12 . 1 1 105 105 PHE C C 104 174.830 174.830 176.184 -1.354 17879 7806 1 12 . 1 1 105 105 PHE CA C 104 59.377 59.377 58.543 0.834 17879 7807 1 12 . 1 1 105 105 PHE CB C 104 39.938 39.938 39.038 0.900 17879 7808 1 12 . 1 1 105 105 PHE H H 104 9.600 9.600 7.986 1.614 17879 7809 1 12 . 1 1 106 106 LEU N N 105 119.929 119.929 124.113 -4.184 17879 7810 1 12 . 1 1 106 106 LEU HA H 105 4.897 4.897 4.248 0.649 17879 7811 1 12 . 1 1 106 106 LEU C C 105 173.947 173.947 176.410 -2.463 17879 7812 1 12 . 1 1 106 106 LEU CA C 105 53.463 53.463 55.543 -2.080 17879 7813 1 12 . 1 1 106 106 LEU CB C 105 45.066 45.066 42.905 2.161 17879 7814 1 12 . 1 1 106 106 LEU H H 105 8.376 8.376 8.421 -0.045 17879 7815 1 12 . 1 1 107 107 TYR N N 106 127.637 127.637 120.339 7.298 17879 7816 1 12 . 1 1 107 107 TYR HA H 106 4.992 4.992 4.875 0.117 17879 7817 1 12 . 1 1 107 107 TYR C C 106 176.099 176.099 174.650 1.449 17879 7818 1 12 . 1 1 107 107 TYR CA C 106 58.893 58.893 57.551 1.342 17879 7819 1 12 . 1 1 107 107 TYR CB C 106 38.140 38.140 39.799 -1.659 17879 7820 1 12 . 1 1 107 107 TYR H H 106 9.124 9.124 8.696 0.428 17879 7821 1 12 . 1 1 108 108 VAL N N 107 121.630 121.630 122.895 -1.265 17879 7822 1 12 . 1 1 108 108 VAL HA H 107 5.135 5.135 4.869 0.266 17879 7823 1 12 . 1 1 108 108 VAL C C 107 175.722 175.722 174.215 1.507 17879 7824 1 12 . 1 1 108 108 VAL CA C 107 59.587 59.587 59.377 0.210 17879 7825 1 12 . 1 1 108 108 VAL CB C 107 34.787 34.787 35.351 -0.564 17879 7826 1 12 . 1 1 108 108 VAL H H 107 9.560 9.560 8.931 0.629 17879 7827 1 12 . 1 1 109 109 THR N N 108 119.845 119.845 116.865 2.980 17879 7828 1 12 . 1 1 109 109 THR HA H 108 6.155 6.155 5.186 0.969 17879 7829 1 12 . 1 1 109 109 THR C C 108 174.158 174.158 172.855 1.303 17879 7830 1 12 . 1 1 109 109 THR CA C 108 59.869 59.869 61.555 -1.686 17879 7831 1 12 . 1 1 109 109 THR CB C 108 72.268 72.268 71.651 0.617 17879 7832 1 12 . 1 1 109 109 THR H H 108 9.061 9.061 8.007 1.054 17879 7833 1 12 . 1 1 110 110 TYR N N 109 119.706 119.706 122.084 -2.378 17879 7834 1 12 . 1 1 110 110 TYR HA H 109 6.332 6.332 5.771 0.561 17879 7835 1 12 . 1 1 110 110 TYR C C 109 173.366 173.366 173.425 -0.059 17879 7836 1 12 . 1 1 110 110 TYR CA C 109 54.655 54.655 55.191 -0.536 17879 7837 1 12 . 1 1 110 110 TYR CB C 109 42.250 42.250 40.880 1.370 17879 7838 1 12 . 1 1 110 110 TYR H H 109 8.461 8.461 9.126 -0.665 17879 7839 1 12 . 1 1 111 111 SER N N 110 112.907 112.907 118.421 -5.514 17879 7840 1 12 . 1 1 111 111 SER HA H 110 4.745 4.745 4.926 -0.181 17879 7841 1 12 . 1 1 111 111 SER C C 110 173.692 173.692 175.520 -1.828 17879 7842 1 12 . 1 1 111 111 SER CA C 110 56.044 56.044 54.725 1.319 17879 7843 1 12 . 1 1 111 111 SER CB C 110 66.177 66.177 66.014 0.163 17879 7844 1 12 . 1 1 111 111 SER H H 110 9.089 9.089 8.988 0.101 17879 7845 1 12 . 1 1 112 112 GLY N N 111 111.054 111.054 110.133 0.921 17879 7846 1 12 . 1 1 112 112 GLY C C 111 173.331 173.331 174.367 -1.036 17879 7847 1 12 . 1 1 112 112 GLY CA C 111 45.341 45.341 46.039 -0.698 17879 7848 1 12 . 1 1 112 112 GLY H H 111 8.443 8.443 8.527 -0.084 17879 7849 1 12 . 1 1 113 113 GLU N N 112 118.801 118.801 117.813 0.988 17879 7850 1 12 . 1 1 113 113 GLU HA H 112 4.660 4.660 4.798 -0.138 17879 7851 1 12 . 1 1 113 113 GLU C C 112 174.538 174.538 174.915 -0.377 17879 7852 1 12 . 1 1 113 113 GLU CA C 112 55.642 55.642 54.167 1.475 17879 7853 1 12 . 1 1 113 113 GLU CB C 112 32.930 32.930 31.683 1.246 17879 7854 1 12 . 1 1 113 113 GLU H H 112 8.413 8.413 8.001 0.412 17879 7855 1 12 . 1 1 114 114 ASN N N 113 118.152 118.152 118.007 0.145 17879 7856 1 12 . 1 1 114 114 ASN HA H 113 4.187 4.187 4.765 -0.578 17879 7857 1 12 . 1 1 114 114 ASN C C 113 175.011 175.011 174.207 0.804 17879 7858 1 12 . 1 1 114 114 ASN CA C 113 51.910 51.910 51.538 0.371 17879 7859 1 12 . 1 1 114 114 ASN CB C 113 36.865 36.865 37.248 -0.383 17879 7860 1 12 . 1 1 114 114 ASN H H 113 8.207 8.207 8.518 -0.311 17879 7861 1 12 . 1 1 115 115 THR N N 114 112.887 112.887 113.646 -0.759 17879 7862 1 12 . 1 1 115 115 THR HA H 114 4.190 4.190 4.615 -0.425 17879 7863 1 12 . 1 1 115 115 THR C C 114 173.575 173.575 173.247 0.328 17879 7864 1 12 . 1 1 115 115 THR CA C 114 61.149 61.149 60.527 0.622 17879 7865 1 12 . 1 1 115 115 THR CB C 114 69.859 69.859 70.610 -0.751 17879 7866 1 12 . 1 1 115 115 THR H H 114 7.411 7.411 7.685 -0.274 17879 7867 1 12 . 1 1 116 116 PHE N N 115 121.474 121.474 117.072 4.402 17879 7868 1 12 . 1 1 116 116 PHE HA H 115 4.451 4.451 4.568 -0.117 17879 7869 1 12 . 1 1 116 116 PHE C C 115 175.078 175.078 174.412 0.666 17879 7870 1 12 . 1 1 116 116 PHE CA C 115 57.681 57.681 55.844 1.837 17879 7871 1 12 . 1 1 116 116 PHE CB C 115 39.569 39.569 38.079 1.490 17879 7872 1 12 . 1 1 116 116 PHE H H 115 8.021 8.021 7.644 0.377 17879 7873 1 13 . 1 1 2 2 MET N N 1 122.410 122.410 122.007 0.403 17879 7874 1 13 . 1 1 2 2 MET HA H 1 4.455 4.455 4.810 -0.355 17879 7875 1 13 . 1 1 2 2 MET C C 1 175.655 175.655 175.731 -0.076 17879 7876 1 13 . 1 1 2 2 MET CA C 1 55.438 55.438 54.945 0.493 17879 7877 1 13 . 1 1 2 2 MET CB C 1 33.126 33.126 34.164 -1.038 17879 7878 1 13 . 1 1 2 2 MET H H 1 8.425 8.425 8.279 0.146 17879 7879 1 13 . 1 1 3 3 LYS N N 2 123.656 123.656 117.859 5.797 17879 7880 1 13 . 1 1 3 3 LYS HA H 2 4.326 4.326 5.037 -0.711 17879 7881 1 13 . 1 1 3 3 LYS C C 2 176.266 176.266 174.779 1.487 17879 7882 1 13 . 1 1 3 3 LYS CA C 2 56.348 56.348 56.102 0.246 17879 7883 1 13 . 1 1 3 3 LYS CB C 2 33.219 33.219 34.782 -1.563 17879 7884 1 13 . 1 1 3 3 LYS H H 2 8.512 8.512 8.470 0.042 17879 7885 1 13 . 1 1 4 4 SER N N 3 118.350 118.350 115.747 2.603 17879 7886 1 13 . 1 1 4 4 SER HA H 3 4.631 4.631 4.565 0.066 17879 7887 1 13 . 1 1 4 4 SER C C 3 175.421 175.421 174.733 0.688 17879 7888 1 13 . 1 1 4 4 SER CA C 3 57.629 57.629 58.507 -0.878 17879 7889 1 13 . 1 1 4 4 SER CB C 3 64.079 64.079 63.869 0.210 17879 7890 1 13 . 1 1 4 4 SER H H 3 8.426 8.426 7.931 0.495 17879 7891 1 13 . 1 1 5 5 THR N N 4 127.775 127.775 115.385 12.390 17879 7892 1 13 . 1 1 5 5 THR HA H 4 4.482 4.482 4.284 0.198 17879 7893 1 13 . 1 1 5 5 THR C C 4 174.680 174.680 175.727 -1.047 17879 7894 1 13 . 1 1 5 5 THR CA C 4 62.001 62.001 62.956 -0.955 17879 7895 1 13 . 1 1 5 5 THR CB C 4 70.137 70.137 69.552 0.585 17879 7896 1 13 . 1 1 5 5 THR H H 4 9.971 9.971 8.089 1.882 17879 7897 1 13 . 1 1 6 6 PHE N N 5 123.021 123.021 121.361 1.660 17879 7898 1 13 . 1 1 6 6 PHE HA H 5 4.125 4.125 4.130 -0.005 17879 7899 1 13 . 1 1 6 6 PHE C C 5 177.064 177.064 177.187 -0.123 17879 7900 1 13 . 1 1 6 6 PHE CA C 5 63.041 63.041 62.573 0.468 17879 7901 1 13 . 1 1 6 6 PHE CB C 5 40.828 40.828 38.772 2.056 17879 7902 1 13 . 1 1 6 6 PHE H H 5 8.863 8.863 8.547 0.316 17879 7903 1 13 . 1 1 7 7 LYS N N 6 114.006 114.006 117.814 -3.808 17879 7904 1 13 . 1 1 7 7 LYS HA H 6 3.916 3.916 3.630 0.286 17879 7905 1 13 . 1 1 7 7 LYS C C 6 177.535 177.535 177.202 0.333 17879 7906 1 13 . 1 1 7 7 LYS CA C 6 60.026 60.026 58.575 1.451 17879 7907 1 13 . 1 1 7 7 LYS CB C 6 33.611 33.611 32.051 1.560 17879 7908 1 13 . 1 1 7 7 LYS H H 6 8.661 8.661 8.446 0.215 17879 7909 1 13 . 1 1 8 8 SER N N 7 111.149 111.149 109.297 1.852 17879 7910 1 13 . 1 1 8 8 SER HA H 7 4.275 4.275 4.342 -0.067 17879 7911 1 13 . 1 1 8 8 SER C C 7 175.689 175.689 175.117 0.572 17879 7912 1 13 . 1 1 8 8 SER CA C 7 60.007 60.007 59.646 0.361 17879 7913 1 13 . 1 1 8 8 SER CB C 7 63.759 63.759 62.636 1.123 17879 7914 1 13 . 1 1 8 8 SER H H 7 7.552 7.552 8.016 -0.464 17879 7915 1 13 . 1 1 9 9 GLU N N 8 122.296 122.296 120.094 2.202 17879 7916 1 13 . 1 1 9 9 GLU HA H 8 3.818 3.818 4.262 -0.444 17879 7917 1 13 . 1 1 9 9 GLU C C 8 176.068 176.068 176.520 -0.452 17879 7918 1 13 . 1 1 9 9 GLU CA C 8 58.137 58.137 57.607 0.530 17879 7919 1 13 . 1 1 9 9 GLU CB C 8 30.965 30.965 31.132 -0.167 17879 7920 1 13 . 1 1 9 9 GLU H H 8 7.924 7.924 7.316 0.608 17879 7921 1 13 . 1 1 10 10 TYR N N 9 115.131 115.131 116.534 -1.403 17879 7922 1 13 . 1 1 10 10 TYR HA H 9 5.066 5.066 5.061 0.005 17879 7923 1 13 . 1 1 10 10 TYR CA C 9 53.958 53.958 54.280 -0.322 17879 7924 1 13 . 1 1 10 10 TYR CB C 9 41.055 41.055 37.362 3.693 17879 7925 1 13 . 1 1 10 10 TYR H H 9 7.052 7.052 7.125 -0.073 17879 7926 1 13 . 1 1 11 11 PRO HA H 10 4.708 4.708 4.650 0.058 17879 7927 1 13 . 1 1 11 11 PRO C C 10 177.384 177.384 177.519 -0.135 17879 7928 1 13 . 1 1 11 11 PRO CA C 10 62.279 62.279 62.031 0.248 17879 7929 1 13 . 1 1 11 11 PRO CB C 10 33.087 33.087 32.858 0.229 17879 7930 1 13 . 1 1 12 12 PHE N N 11 125.307 125.307 121.542 3.765 17879 7931 1 13 . 1 1 12 12 PHE HA H 11 3.883 3.883 4.258 -0.375 17879 7932 1 13 . 1 1 12 12 PHE C C 11 176.157 176.157 177.181 -1.024 17879 7933 1 13 . 1 1 12 12 PHE CA C 11 63.156 63.156 62.232 0.924 17879 7934 1 13 . 1 1 12 12 PHE CB C 11 39.935 39.935 39.169 0.766 17879 7935 1 13 . 1 1 12 12 PHE H H 11 9.385 9.385 8.689 0.696 17879 7936 1 13 . 1 1 13 13 GLU N N 12 115.356 115.356 118.123 -2.767 17879 7937 1 13 . 1 1 13 13 GLU HA H 12 3.857 3.857 3.812 0.045 17879 7938 1 13 . 1 1 13 13 GLU C C 12 179.598 179.598 179.198 0.400 17879 7939 1 13 . 1 1 13 13 GLU CA C 12 60.317 60.317 60.148 0.169 17879 7940 1 13 . 1 1 13 13 GLU CB C 12 28.642 28.642 28.888 -0.246 17879 7941 1 13 . 1 1 13 13 GLU H H 12 9.800 9.800 9.075 0.725 17879 7942 1 13 . 1 1 14 14 LYS N N 13 118.194 118.194 118.408 -0.214 17879 7943 1 13 . 1 1 14 14 LYS HA H 13 4.246 4.246 4.103 0.143 17879 7944 1 13 . 1 1 14 14 LYS C C 13 178.804 178.804 179.160 -0.356 17879 7945 1 13 . 1 1 14 14 LYS CA C 13 58.143 58.143 58.608 -0.465 17879 7946 1 13 . 1 1 14 14 LYS CB C 13 32.770 32.770 31.928 0.842 17879 7947 1 13 . 1 1 14 14 LYS H H 13 7.160 7.160 7.374 -0.214 17879 7948 1 13 . 1 1 15 15 ARG N N 14 120.949 120.949 120.115 0.834 17879 7949 1 13 . 1 1 15 15 ARG HA H 14 3.892 3.892 3.901 -0.009 17879 7950 1 13 . 1 1 15 15 ARG C C 14 176.858 176.858 178.595 -1.737 17879 7951 1 13 . 1 1 15 15 ARG CA C 14 61.520 61.520 59.078 2.442 17879 7952 1 13 . 1 1 15 15 ARG CB C 14 32.840 32.840 29.876 2.964 17879 7953 1 13 . 1 1 15 15 ARG H H 14 7.686 7.686 8.186 -0.500 17879 7954 1 13 . 1 1 16 16 LYS N N 15 119.224 119.224 119.548 -0.324 17879 7955 1 13 . 1 1 16 16 LYS HA H 15 4.449 4.449 4.543 -0.094 17879 7956 1 13 . 1 1 16 16 LYS C C 15 177.796 177.796 178.663 -0.867 17879 7957 1 13 . 1 1 16 16 LYS CA C 15 57.366 57.366 59.024 -1.658 17879 7958 1 13 . 1 1 16 16 LYS CB C 15 32.529 32.529 32.078 0.451 17879 7959 1 13 . 1 1 16 16 LYS H H 15 8.667 8.667 8.033 0.634 17879 7960 1 13 . 1 1 17 17 ALA N N 16 117.777 117.777 121.944 -4.167 17879 7961 1 13 . 1 1 17 17 ALA HA H 16 4.164 4.164 4.092 0.072 17879 7962 1 13 . 1 1 17 17 ALA C C 16 180.641 180.641 179.731 0.910 17879 7963 1 13 . 1 1 17 17 ALA CA C 16 54.627 54.627 54.806 -0.179 17879 7964 1 13 . 1 1 17 17 ALA CB C 16 18.114 18.114 17.960 0.153 17879 7965 1 13 . 1 1 17 17 ALA H H 16 7.305 7.305 8.072 -0.767 17879 7966 1 13 . 1 1 18 18 GLU N N 17 119.934 119.934 118.632 1.302 17879 7967 1 13 . 1 1 18 18 GLU HA H 17 4.695 4.695 4.165 0.530 17879 7968 1 13 . 1 1 18 18 GLU C C 17 178.339 178.339 178.816 -0.477 17879 7969 1 13 . 1 1 18 18 GLU CA C 17 58.173 58.173 58.730 -0.557 17879 7970 1 13 . 1 1 18 18 GLU CB C 17 28.765 28.765 29.628 -0.864 17879 7971 1 13 . 1 1 18 18 GLU H H 17 7.849 7.849 8.378 -0.529 17879 7972 1 13 . 1 1 19 19 SER N N 18 117.685 117.685 114.649 3.036 17879 7973 1 13 . 1 1 19 19 SER HA H 18 3.542 3.542 4.192 -0.650 17879 7974 1 13 . 1 1 19 19 SER C C 18 178.206 178.206 177.031 1.175 17879 7975 1 13 . 1 1 19 19 SER CA C 18 62.108 62.108 61.103 1.005 17879 7976 1 13 . 1 1 19 19 SER CB C 18 59.839 59.839 62.909 -3.070 17879 7977 1 13 . 1 1 19 19 SER H H 18 8.785 8.785 8.197 0.588 17879 7978 1 13 . 1 1 20 20 GLU N N 19 124.346 124.346 121.574 2.772 17879 7979 1 13 . 1 1 20 20 GLU HA H 19 3.988 3.988 4.192 -0.204 17879 7980 1 13 . 1 1 20 20 GLU C C 19 178.788 178.788 177.818 0.970 17879 7981 1 13 . 1 1 20 20 GLU CA C 19 59.701 59.701 58.717 0.984 17879 7982 1 13 . 1 1 20 20 GLU CB C 19 29.318 29.318 29.561 -0.243 17879 7983 1 13 . 1 1 20 20 GLU H H 19 8.052 8.052 8.117 -0.065 17879 7984 1 13 . 1 1 21 21 ARG N N 20 122.089 122.089 117.374 4.715 17879 7985 1 13 . 1 1 21 21 ARG HA H 20 4.093 4.093 4.387 -0.294 17879 7986 1 13 . 1 1 21 21 ARG C C 20 179.458 179.458 178.410 1.048 17879 7987 1 13 . 1 1 21 21 ARG CA C 20 59.500 59.500 57.481 2.019 17879 7988 1 13 . 1 1 21 21 ARG CB C 20 30.412 30.412 31.313 -0.901 17879 7989 1 13 . 1 1 21 21 ARG H H 20 7.958 7.958 7.524 0.434 17879 7990 1 13 . 1 1 22 22 ILE N N 21 119.893 119.893 120.447 -0.554 17879 7991 1 13 . 1 1 22 22 ILE HA H 21 3.623 3.623 3.894 -0.271 17879 7992 1 13 . 1 1 22 22 ILE C C 21 176.842 176.842 177.471 -0.629 17879 7993 1 13 . 1 1 22 22 ILE CA C 21 65.145 65.145 65.129 0.016 17879 7994 1 13 . 1 1 22 22 ILE CB C 21 38.195 38.195 37.817 0.378 17879 7995 1 13 . 1 1 22 22 ILE H H 21 8.277 8.277 8.269 0.008 17879 7996 1 13 . 1 1 23 23 ALA N N 22 121.816 121.816 120.797 1.019 17879 7997 1 13 . 1 1 23 23 ALA HA H 22 4.071 4.071 4.145 -0.074 17879 7998 1 13 . 1 1 23 23 ALA C C 22 179.199 179.199 177.359 1.840 17879 7999 1 13 . 1 1 23 23 ALA CA C 22 54.519 54.519 54.090 0.429 17879 8000 1 13 . 1 1 23 23 ALA CB C 22 18.001 18.001 18.744 -0.743 17879 8001 1 13 . 1 1 23 23 ALA H H 22 7.962 7.962 7.653 0.309 17879 8002 1 13 . 1 1 24 24 ASP N N 23 114.866 114.866 115.978 -1.112 17879 8003 1 13 . 1 1 24 24 ASP HA H 23 4.401 4.401 4.589 -0.188 17879 8004 1 13 . 1 1 24 24 ASP C C 23 177.324 177.324 177.339 -0.015 17879 8005 1 13 . 1 1 24 24 ASP CA C 23 56.248 56.248 55.063 1.185 17879 8006 1 13 . 1 1 24 24 ASP CB C 23 42.193 42.193 41.919 0.274 17879 8007 1 13 . 1 1 24 24 ASP H H 23 7.368 7.368 7.884 -0.516 17879 8008 1 13 . 1 1 25 25 ARG N N 24 116.868 116.868 118.530 -1.662 17879 8009 1 13 . 1 1 25 25 ARG HA H 24 3.922 3.922 4.056 -0.134 17879 8010 1 13 . 1 1 25 25 ARG C C 24 176.266 176.266 176.386 -0.120 17879 8011 1 13 . 1 1 25 25 ARG CA C 24 57.158 57.158 56.471 0.687 17879 8012 1 13 . 1 1 25 25 ARG CB C 24 31.477 31.477 31.688 -0.211 17879 8013 1 13 . 1 1 25 25 ARG H H 24 7.815 7.815 7.781 0.034 17879 8014 1 13 . 1 1 26 26 PHE N N 25 116.737 116.737 117.148 -0.411 17879 8015 1 13 . 1 1 26 26 PHE HA H 25 5.084 5.084 4.987 0.097 17879 8016 1 13 . 1 1 26 26 PHE CA C 25 54.304 54.304 55.065 -0.761 17879 8017 1 13 . 1 1 26 26 PHE CB C 25 39.026 39.026 38.999 0.027 17879 8018 1 13 . 1 1 26 26 PHE H H 25 8.658 8.658 7.970 0.688 17879 8019 1 13 . 1 1 27 27 PRO HA H 26 4.503 4.503 4.375 0.128 17879 8020 1 13 . 1 1 27 27 PRO C C 26 177.538 177.538 177.069 0.469 17879 8021 1 13 . 1 1 27 27 PRO CA C 26 64.394 64.394 64.408 -0.014 17879 8022 1 13 . 1 1 27 27 PRO CB C 26 31.961 31.961 31.966 -0.005 17879 8023 1 13 . 1 1 28 28 ASN N N 27 114.596 114.596 115.917 -1.321 17879 8024 1 13 . 1 1 28 28 ASN HA H 27 4.725 4.725 4.688 0.037 17879 8025 1 13 . 1 1 28 28 ASN C C 27 174.678 174.678 174.042 0.636 17879 8026 1 13 . 1 1 28 28 ASN CA C 27 52.868 52.868 52.187 0.681 17879 8027 1 13 . 1 1 28 28 ASN CB C 27 38.331 38.331 37.601 0.730 17879 8028 1 13 . 1 1 28 28 ASN H H 27 8.537 8.537 8.732 -0.195 17879 8029 1 13 . 1 1 29 29 ARG N N 28 116.946 116.946 119.061 -2.115 17879 8030 1 13 . 1 1 29 29 ARG HA H 28 4.769 4.769 4.522 0.247 17879 8031 1 13 . 1 1 29 29 ARG C C 28 174.469 174.469 174.366 0.103 17879 8032 1 13 . 1 1 29 29 ARG CA C 28 52.948 52.948 54.503 -1.555 17879 8033 1 13 . 1 1 29 29 ARG CB C 28 32.941 32.941 33.542 -0.601 17879 8034 1 13 . 1 1 29 29 ARG H H 28 7.580 7.580 7.198 0.382 17879 8035 1 13 . 1 1 30 30 ILE N N 29 121.854 121.854 120.909 0.945 17879 8036 1 13 . 1 1 30 30 ILE HA H 29 4.098 4.098 4.038 0.060 17879 8037 1 13 . 1 1 30 30 ILE CA C 29 55.558 55.558 56.876 -1.318 17879 8038 1 13 . 1 1 30 30 ILE CB C 29 38.805 38.805 39.595 -0.790 17879 8039 1 13 . 1 1 30 30 ILE H H 29 9.262 9.262 8.667 0.595 17879 8040 1 13 . 1 1 31 31 PRO HA H 30 4.856 4.856 4.449 0.407 17879 8041 1 13 . 1 1 31 31 PRO C C 30 174.121 174.121 175.870 -1.749 17879 8042 1 13 . 1 1 31 31 PRO CA C 30 61.705 61.705 62.279 -0.574 17879 8043 1 13 . 1 1 31 31 PRO CB C 30 30.966 30.966 30.658 0.308 17879 8044 1 13 . 1 1 32 32 VAL N N 31 127.197 127.197 118.817 8.380 17879 8045 1 13 . 1 1 32 32 VAL HA H 31 4.997 4.997 4.785 0.212 17879 8046 1 13 . 1 1 32 32 VAL C C 31 174.181 174.181 173.558 0.623 17879 8047 1 13 . 1 1 32 32 VAL CA C 31 60.620 60.620 59.525 1.095 17879 8048 1 13 . 1 1 32 32 VAL CB C 31 35.645 35.645 35.900 -0.255 17879 8049 1 13 . 1 1 32 32 VAL H H 31 9.096 9.096 8.744 0.352 17879 8050 1 13 . 1 1 33 33 ILE N N 32 127.157 127.157 121.428 5.729 17879 8051 1 13 . 1 1 33 33 ILE HA H 32 4.917 4.917 4.607 0.310 17879 8052 1 13 . 1 1 33 33 ILE C C 32 174.991 174.991 175.554 -0.563 17879 8053 1 13 . 1 1 33 33 ILE CA C 32 56.589 56.589 59.136 -2.547 17879 8054 1 13 . 1 1 33 33 ILE CB C 32 35.908 35.908 38.010 -2.102 17879 8055 1 13 . 1 1 33 33 ILE H H 32 8.775 8.775 7.549 1.226 17879 8056 1 13 . 1 1 34 34 CYS N N 33 129.280 129.280 127.911 1.369 17879 8057 1 13 . 1 1 34 34 CYS HA H 33 5.559 5.559 4.815 0.744 17879 8058 1 13 . 1 1 34 34 CYS C C 33 173.218 173.218 173.776 -0.558 17879 8059 1 13 . 1 1 34 34 CYS CA C 33 57.121 57.121 58.431 -1.310 17879 8060 1 13 . 1 1 34 34 CYS CB C 33 28.880 28.880 29.186 -0.306 17879 8061 1 13 . 1 1 34 34 CYS H H 33 9.738 9.738 9.432 0.306 17879 8062 1 13 . 1 1 35 35 GLU N N 34 124.130 124.130 123.947 0.183 17879 8063 1 13 . 1 1 35 35 GLU HA H 34 4.977 4.977 4.790 0.187 17879 8064 1 13 . 1 1 35 35 GLU C C 34 174.190 174.190 173.764 0.426 17879 8065 1 13 . 1 1 35 35 GLU CA C 34 54.308 54.308 55.177 -0.869 17879 8066 1 13 . 1 1 35 35 GLU CB C 34 35.281 35.281 33.711 1.570 17879 8067 1 13 . 1 1 35 35 GLU H H 34 8.531 8.531 8.460 0.071 17879 8068 1 13 . 1 1 36 36 LYS N N 35 123.562 123.562 123.347 0.215 17879 8069 1 13 . 1 1 36 36 LYS HA H 35 3.056 3.056 3.927 -0.871 17879 8070 1 13 . 1 1 36 36 LYS C C 35 177.452 177.452 176.880 0.572 17879 8071 1 13 . 1 1 36 36 LYS CA C 35 56.374 56.374 54.650 1.724 17879 8072 1 13 . 1 1 36 36 LYS CB C 35 32.750 32.750 33.282 -0.532 17879 8073 1 13 . 1 1 36 36 LYS H H 35 8.949 8.949 8.614 0.335 17879 8074 1 13 . 1 1 37 37 ALA N N 36 129.494 129.494 130.676 -1.182 17879 8075 1 13 . 1 1 37 37 ALA HA H 36 4.163 4.163 4.066 0.097 17879 8076 1 13 . 1 1 37 37 ALA C C 36 178.375 178.375 176.694 1.681 17879 8077 1 13 . 1 1 37 37 ALA CA C 36 52.702 52.702 53.130 -0.428 17879 8078 1 13 . 1 1 37 37 ALA CB C 36 18.673 18.673 19.362 -0.689 17879 8079 1 13 . 1 1 37 37 ALA H H 36 8.561 8.561 7.898 0.663 17879 8080 1 13 . 1 1 38 38 GLU N N 37 125.115 125.115 118.882 6.233 17879 8081 1 13 . 1 1 38 38 GLU HA H 37 3.959 3.959 4.177 -0.218 17879 8082 1 13 . 1 1 38 38 GLU C C 37 177.516 177.516 177.480 0.036 17879 8083 1 13 . 1 1 38 38 GLU CA C 37 59.302 59.302 57.854 1.448 17879 8084 1 13 . 1 1 38 38 GLU CB C 37 30.154 30.154 29.846 0.308 17879 8085 1 13 . 1 1 38 38 GLU H H 37 8.648 8.648 8.466 0.182 17879 8086 1 13 . 1 1 39 39 LYS N N 38 115.020 115.020 120.365 -5.345 17879 8087 1 13 . 1 1 39 39 LYS HA H 38 4.188 4.188 4.098 0.090 17879 8088 1 13 . 1 1 39 39 LYS C C 38 176.244 176.244 177.551 -1.307 17879 8089 1 13 . 1 1 39 39 LYS CA C 38 56.564 56.564 57.551 -0.987 17879 8090 1 13 . 1 1 39 39 LYS CB C 38 31.484 31.484 32.169 -0.684 17879 8091 1 13 . 1 1 39 39 LYS H H 38 8.494 8.494 8.060 0.434 17879 8092 1 13 . 1 1 40 40 SER N N 39 113.091 113.091 112.774 0.317 17879 8093 1 13 . 1 1 40 40 SER HA H 39 4.535 4.535 4.580 -0.045 17879 8094 1 13 . 1 1 40 40 SER C C 39 174.896 174.896 174.620 0.276 17879 8095 1 13 . 1 1 40 40 SER CA C 39 57.985 57.985 59.235 -1.250 17879 8096 1 13 . 1 1 40 40 SER CB C 39 65.000 65.000 63.759 1.241 17879 8097 1 13 . 1 1 40 40 SER H H 39 7.346 7.346 7.857 -0.511 17879 8098 1 13 . 1 1 41 41 ASP N N 40 127.375 127.375 122.352 5.023 17879 8099 1 13 . 1 1 41 41 ASP HA H 40 4.782 4.782 4.805 -0.023 17879 8100 1 13 . 1 1 41 41 ASP C C 40 175.205 175.205 176.902 -1.697 17879 8101 1 13 . 1 1 41 41 ASP CA C 40 53.549 53.549 53.583 -0.034 17879 8102 1 13 . 1 1 41 41 ASP CB C 40 39.916 39.916 42.420 -2.504 17879 8103 1 13 . 1 1 41 41 ASP H H 40 8.744 8.744 8.636 0.108 17879 8104 1 13 . 1 1 42 42 ILE N N 41 122.943 122.943 119.894 3.049 17879 8105 1 13 . 1 1 42 42 ILE HA H 41 4.661 4.661 4.486 0.175 17879 8106 1 13 . 1 1 42 42 ILE CA C 41 59.133 59.133 59.122 0.011 17879 8107 1 13 . 1 1 42 42 ILE CB C 41 40.534 40.534 38.059 2.475 17879 8108 1 13 . 1 1 42 42 ILE H H 41 7.649 7.649 7.843 -0.194 17879 8109 1 13 . 1 1 43 43 PRO HA H 42 4.414 4.414 4.535 -0.121 17879 8110 1 13 . 1 1 43 43 PRO C C 42 175.952 175.952 176.095 -0.143 17879 8111 1 13 . 1 1 43 43 PRO CA C 42 63.829 63.829 62.552 1.277 17879 8112 1 13 . 1 1 43 43 PRO CB C 42 32.895 32.895 32.286 0.609 17879 8113 1 13 . 1 1 44 44 GLU N N 43 120.369 120.369 123.074 -2.705 17879 8114 1 13 . 1 1 44 44 GLU HA H 43 4.298 4.298 4.224 0.074 17879 8115 1 13 . 1 1 44 44 GLU C C 43 175.316 175.316 176.859 -1.543 17879 8116 1 13 . 1 1 44 44 GLU CA C 43 56.400 56.400 56.429 -0.029 17879 8117 1 13 . 1 1 44 44 GLU CB C 43 31.282 31.282 30.676 0.606 17879 8118 1 13 . 1 1 44 44 GLU H H 43 8.393 8.393 8.455 -0.062 17879 8119 1 13 . 1 1 45 45 ILE N N 44 123.670 123.670 125.362 -1.692 17879 8120 1 13 . 1 1 45 45 ILE HA H 44 4.419 4.419 4.141 0.278 17879 8121 1 13 . 1 1 45 45 ILE C C 44 174.786 174.786 176.128 -1.342 17879 8122 1 13 . 1 1 45 45 ILE CA C 44 61.027 61.027 61.625 -0.598 17879 8123 1 13 . 1 1 45 45 ILE CB C 44 40.509 40.509 39.183 1.326 17879 8124 1 13 . 1 1 45 45 ILE H H 44 8.067 8.067 8.318 -0.251 17879 8125 1 13 . 1 1 46 46 ASP N N 45 123.340 123.340 122.052 1.288 17879 8126 1 13 . 1 1 46 46 ASP HA H 45 4.412 4.412 4.558 -0.146 17879 8127 1 13 . 1 1 46 46 ASP C C 45 175.494 175.494 175.159 0.335 17879 8128 1 13 . 1 1 46 46 ASP CA C 45 55.467 55.467 56.060 -0.594 17879 8129 1 13 . 1 1 46 46 ASP CB C 45 40.320 40.320 41.234 -0.914 17879 8130 1 13 . 1 1 46 46 ASP H H 45 8.468 8.468 8.792 -0.324 17879 8131 1 13 . 1 1 47 47 LYS N N 46 121.295 121.295 112.714 8.581 17879 8132 1 13 . 1 1 47 47 LYS HA H 46 4.428 4.428 4.762 -0.334 17879 8133 1 13 . 1 1 47 47 LYS CA C 46 56.020 56.020 54.690 1.330 17879 8134 1 13 . 1 1 47 47 LYS CB C 46 34.644 34.644 34.998 -0.354 17879 8135 1 13 . 1 1 47 47 LYS H H 46 7.319 7.319 7.486 -0.167 17879 8136 1 13 . 1 1 48 48 ARG N N 47 124.949 124.949 120.593 4.356 17879 8137 1 13 . 1 1 48 48 ARG HA H 47 5.271 5.271 5.144 0.127 17879 8138 1 13 . 1 1 48 48 ARG C C 47 173.546 173.546 175.040 -1.494 17879 8139 1 13 . 1 1 48 48 ARG CA C 47 55.581 55.581 55.653 -0.072 17879 8140 1 13 . 1 1 48 48 ARG CB C 47 32.992 32.992 30.634 2.358 17879 8141 1 13 . 1 1 48 48 ARG H H 47 8.558 8.558 9.148 -0.590 17879 8142 1 13 . 1 1 49 49 LYS N N 48 122.812 122.812 124.810 -1.998 17879 8143 1 13 . 1 1 49 49 LYS HA H 48 5.030 5.030 4.271 0.759 17879 8144 1 13 . 1 1 49 49 LYS C C 48 174.301 174.301 173.920 0.381 17879 8145 1 13 . 1 1 49 49 LYS CA C 48 55.042 55.042 56.431 -1.389 17879 8146 1 13 . 1 1 49 49 LYS CB C 48 34.065 34.065 34.404 -0.340 17879 8147 1 13 . 1 1 49 49 LYS H H 48 7.440 7.440 8.154 -0.714 17879 8148 1 13 . 1 1 50 50 TYR N N 49 124.842 124.842 122.356 2.486 17879 8149 1 13 . 1 1 50 50 TYR HA H 49 4.721 4.721 4.623 0.098 17879 8150 1 13 . 1 1 50 50 TYR C C 49 173.674 173.674 173.891 -0.217 17879 8151 1 13 . 1 1 50 50 TYR CA C 49 57.192 57.192 57.559 -0.366 17879 8152 1 13 . 1 1 50 50 TYR CB C 49 43.123 43.123 41.986 1.137 17879 8153 1 13 . 1 1 50 50 TYR H H 49 9.590 9.590 8.947 0.643 17879 8154 1 13 . 1 1 51 51 LEU N N 50 124.138 124.138 127.347 -3.209 17879 8155 1 13 . 1 1 51 51 LEU HA H 50 4.753 4.753 4.655 0.098 17879 8156 1 13 . 1 1 51 51 LEU C C 50 176.050 176.050 175.591 0.459 17879 8157 1 13 . 1 1 51 51 LEU CA C 50 53.158 53.158 53.740 -0.583 17879 8158 1 13 . 1 1 51 51 LEU CB C 50 41.155 41.155 41.278 -0.123 17879 8159 1 13 . 1 1 51 51 LEU H H 50 8.901 8.901 8.536 0.365 17879 8160 1 13 . 1 1 52 52 VAL N N 51 123.181 123.181 120.893 2.288 17879 8161 1 13 . 1 1 52 52 VAL HA H 51 3.948 3.948 4.551 -0.603 17879 8162 1 13 . 1 1 52 52 VAL CA C 51 59.724 59.724 59.510 0.214 17879 8163 1 13 . 1 1 52 52 VAL CB C 51 33.605 33.605 32.117 1.488 17879 8164 1 13 . 1 1 52 52 VAL H H 51 8.513 8.513 7.578 0.935 17879 8165 1 13 . 1 1 53 53 PRO HA H 52 4.305 4.305 4.367 -0.062 17879 8166 1 13 . 1 1 53 53 PRO C C 52 176.607 176.607 176.020 0.587 17879 8167 1 13 . 1 1 53 53 PRO CA C 52 63.950 63.950 62.020 1.930 17879 8168 1 13 . 1 1 53 53 PRO CB C 52 32.163 32.163 32.453 -0.290 17879 8169 1 13 . 1 1 54 54 ALA N N 53 123.771 123.771 119.524 4.247 17879 8170 1 13 . 1 1 54 54 ALA HA H 53 3.720 3.720 4.161 -0.441 17879 8171 1 13 . 1 1 54 54 ALA C C 53 176.409 176.409 176.830 -0.421 17879 8172 1 13 . 1 1 54 54 ALA CA C 53 54.742 54.742 52.509 2.233 17879 8173 1 13 . 1 1 54 54 ALA CB C 53 18.948 18.948 19.248 -0.300 17879 8174 1 13 . 1 1 54 54 ALA H H 53 7.926 7.926 8.261 -0.335 17879 8175 1 13 . 1 1 55 55 ASP N N 54 111.152 111.152 117.608 -6.456 17879 8176 1 13 . 1 1 55 55 ASP HA H 54 4.621 4.621 4.648 -0.027 17879 8177 1 13 . 1 1 55 55 ASP C C 54 175.823 175.823 175.336 0.487 17879 8178 1 13 . 1 1 55 55 ASP CA C 54 52.744 52.744 54.249 -1.505 17879 8179 1 13 . 1 1 55 55 ASP CB C 54 39.861 39.861 41.154 -1.293 17879 8180 1 13 . 1 1 55 55 ASP H H 54 8.106 8.106 8.003 0.103 17879 8181 1 13 . 1 1 56 56 LEU N N 55 121.263 121.263 121.377 -0.114 17879 8182 1 13 . 1 1 56 56 LEU HA H 55 4.351 4.351 4.445 -0.094 17879 8183 1 13 . 1 1 56 56 LEU C C 55 177.459 177.459 176.628 0.831 17879 8184 1 13 . 1 1 56 56 LEU CA C 55 55.472 55.472 56.041 -0.569 17879 8185 1 13 . 1 1 56 56 LEU CB C 55 43.593 43.593 42.384 1.209 17879 8186 1 13 . 1 1 56 56 LEU H H 55 7.295 7.295 8.000 -0.705 17879 8187 1 13 . 1 1 57 57 THR N N 56 114.222 114.222 115.337 -1.115 17879 8188 1 13 . 1 1 57 57 THR HA H 56 5.233 5.233 4.503 0.730 17879 8189 1 13 . 1 1 57 57 THR C C 56 176.538 176.538 175.317 1.221 17879 8190 1 13 . 1 1 57 57 THR CA C 56 60.318 60.318 60.686 -0.368 17879 8191 1 13 . 1 1 57 57 THR CB C 56 71.303 71.303 70.665 0.638 17879 8192 1 13 . 1 1 57 57 THR H H 56 8.476 8.476 7.897 0.579 17879 8193 1 13 . 1 1 58 58 VAL N N 57 122.331 122.331 120.514 1.817 17879 8194 1 13 . 1 1 58 58 VAL HA H 57 3.738 3.738 4.029 -0.291 17879 8195 1 13 . 1 1 58 58 VAL C C 57 178.743 178.743 178.086 0.657 17879 8196 1 13 . 1 1 58 58 VAL CA C 57 66.797 66.797 65.942 0.855 17879 8197 1 13 . 1 1 58 58 VAL CB C 57 31.801 31.801 31.965 -0.164 17879 8198 1 13 . 1 1 58 58 VAL H H 57 8.806 8.806 7.930 0.876 17879 8199 1 13 . 1 1 59 59 GLY N N 58 105.470 105.470 105.170 0.300 17879 8200 1 13 . 1 1 59 59 GLY C C 58 176.924 176.924 176.072 0.852 17879 8201 1 13 . 1 1 59 59 GLY CA C 58 47.317 47.317 47.066 0.251 17879 8202 1 13 . 1 1 59 59 GLY H H 58 9.381 9.381 8.059 1.322 17879 8203 1 13 . 1 1 60 60 GLN N N 59 121.492 121.492 118.904 2.588 17879 8204 1 13 . 1 1 60 60 GLN HA H 59 4.166 4.166 4.398 -0.232 17879 8205 1 13 . 1 1 60 60 GLN C C 59 178.605 178.605 177.501 1.104 17879 8206 1 13 . 1 1 60 60 GLN CA C 59 58.764 58.764 56.945 1.819 17879 8207 1 13 . 1 1 60 60 GLN CB C 59 29.129 29.129 29.261 -0.132 17879 8208 1 13 . 1 1 60 60 GLN H H 59 8.027 8.027 7.721 0.306 17879 8209 1 13 . 1 1 61 61 PHE N N 60 122.595 122.595 121.257 1.338 17879 8210 1 13 . 1 1 61 61 PHE HA H 60 4.291 4.291 4.298 -0.007 17879 8211 1 13 . 1 1 61 61 PHE C C 60 176.690 176.690 177.177 -0.487 17879 8212 1 13 . 1 1 61 61 PHE CA C 60 61.502 61.502 60.557 0.945 17879 8213 1 13 . 1 1 61 61 PHE CB C 60 39.155 39.155 39.421 -0.266 17879 8214 1 13 . 1 1 61 61 PHE H H 60 8.522 8.522 7.902 0.620 17879 8215 1 13 . 1 1 62 62 VAL N N 61 118.720 118.720 119.985 -1.265 17879 8216 1 13 . 1 1 62 62 VAL HA H 61 3.070 3.070 3.227 -0.157 17879 8217 1 13 . 1 1 62 62 VAL C C 61 176.872 176.872 176.804 0.068 17879 8218 1 13 . 1 1 62 62 VAL CA C 61 67.040 67.040 66.743 0.297 17879 8219 1 13 . 1 1 62 62 VAL CB C 61 31.119 31.119 31.385 -0.266 17879 8220 1 13 . 1 1 62 62 VAL H H 61 8.705 8.705 8.483 0.222 17879 8221 1 13 . 1 1 63 63 TYR N N 62 118.462 118.462 118.125 0.337 17879 8222 1 13 . 1 1 63 63 TYR HA H 62 3.987 3.987 4.074 -0.087 17879 8223 1 13 . 1 1 63 63 TYR C C 62 177.325 177.325 175.821 1.504 17879 8224 1 13 . 1 1 63 63 TYR CA C 62 61.685 61.685 60.397 1.288 17879 8225 1 13 . 1 1 63 63 TYR CB C 62 37.906 37.906 37.742 0.164 17879 8226 1 13 . 1 1 63 63 TYR H H 62 7.373 7.373 8.092 -0.719 17879 8227 1 13 . 1 1 64 64 VAL N N 63 119.137 119.137 117.130 2.007 17879 8228 1 13 . 1 1 64 64 VAL HA H 63 3.342 3.342 3.238 0.104 17879 8229 1 13 . 1 1 64 64 VAL C C 63 178.326 178.326 177.477 0.849 17879 8230 1 13 . 1 1 64 64 VAL CA C 63 66.615 66.615 64.488 2.127 17879 8231 1 13 . 1 1 64 64 VAL CB C 63 31.157 31.157 31.771 -0.614 17879 8232 1 13 . 1 1 64 64 VAL H H 63 7.376 7.376 7.415 -0.039 17879 8233 1 13 . 1 1 65 65 ILE N N 64 118.858 118.858 119.326 -0.468 17879 8234 1 13 . 1 1 65 65 ILE HA H 64 3.279 3.279 3.655 -0.376 17879 8235 1 13 . 1 1 65 65 ILE C C 64 177.653 177.653 178.326 -0.673 17879 8236 1 13 . 1 1 65 65 ILE CA C 64 63.682 63.682 61.877 1.805 17879 8237 1 13 . 1 1 65 65 ILE CB C 64 36.150 36.150 35.717 0.433 17879 8238 1 13 . 1 1 65 65 ILE H H 64 7.366 7.366 6.767 0.599 17879 8239 1 13 . 1 1 66 66 ARG N N 65 118.729 118.729 118.536 0.193 17879 8240 1 13 . 1 1 66 66 ARG HA H 65 3.397 3.397 4.074 -0.677 17879 8241 1 13 . 1 1 66 66 ARG C C 65 178.284 178.284 177.588 0.696 17879 8242 1 13 . 1 1 66 66 ARG CA C 65 60.078 60.078 57.440 2.638 17879 8243 1 13 . 1 1 66 66 ARG CB C 65 30.022 30.022 29.993 0.029 17879 8244 1 13 . 1 1 66 66 ARG H H 65 8.463 8.463 8.375 0.088 17879 8245 1 13 . 1 1 67 67 LYS N N 66 116.643 116.643 119.098 -2.455 17879 8246 1 13 . 1 1 67 67 LYS HA H 66 3.951 3.951 4.118 -0.167 17879 8247 1 13 . 1 1 67 67 LYS C C 66 178.989 178.989 178.381 0.608 17879 8248 1 13 . 1 1 67 67 LYS CA C 66 58.347 58.347 58.751 -0.404 17879 8249 1 13 . 1 1 67 67 LYS CB C 66 31.938 31.938 32.416 -0.478 17879 8250 1 13 . 1 1 67 67 LYS H H 66 7.536 7.536 7.840 -0.304 17879 8251 1 13 . 1 1 68 68 ARG N N 67 119.051 119.051 119.396 -0.345 17879 8252 1 13 . 1 1 68 68 ARG HA H 67 4.104 4.104 4.096 0.008 17879 8253 1 13 . 1 1 68 68 ARG C C 67 178.122 178.122 178.544 -0.422 17879 8254 1 13 . 1 1 68 68 ARG CA C 67 58.182 58.182 58.689 -0.507 17879 8255 1 13 . 1 1 68 68 ARG CB C 67 30.273 30.273 30.397 -0.124 17879 8256 1 13 . 1 1 68 68 ARG H H 67 7.783 7.783 7.618 0.165 17879 8257 1 13 . 1 1 69 69 ILE N N 68 112.456 112.456 113.258 -0.802 17879 8258 1 13 . 1 1 69 69 ILE HA H 68 4.223 4.223 4.023 0.200 17879 8259 1 13 . 1 1 69 69 ILE C C 68 174.568 174.568 175.425 -0.857 17879 8260 1 13 . 1 1 69 69 ILE CA C 68 61.502 61.502 61.637 -0.135 17879 8261 1 13 . 1 1 69 69 ILE CB C 68 38.643 38.643 37.867 0.776 17879 8262 1 13 . 1 1 69 69 ILE H H 68 7.675 7.675 7.181 0.494 17879 8263 1 13 . 1 1 70 70 MET N N 69 118.509 118.509 113.087 5.422 17879 8264 1 13 . 1 1 70 70 MET HA H 69 3.982 3.982 4.144 -0.162 17879 8265 1 13 . 1 1 70 70 MET C C 69 175.482 175.482 174.956 0.526 17879 8266 1 13 . 1 1 70 70 MET CA C 69 55.811 55.811 55.943 -0.132 17879 8267 1 13 . 1 1 70 70 MET CB C 69 29.392 29.392 30.125 -0.733 17879 8268 1 13 . 1 1 70 70 MET H H 69 7.805 7.805 7.539 0.266 17879 8269 1 13 . 1 1 71 71 LEU N N 70 121.952 121.952 122.062 -0.110 17879 8270 1 13 . 1 1 71 71 LEU HA H 70 4.603 4.603 4.482 0.121 17879 8271 1 13 . 1 1 71 71 LEU CA C 70 52.560 52.560 53.397 -0.837 17879 8272 1 13 . 1 1 71 71 LEU CB C 70 44.045 44.045 42.150 1.895 17879 8273 1 13 . 1 1 71 71 LEU H H 70 7.493 7.493 7.587 -0.094 17879 8274 1 13 . 1 1 72 72 PRO HA H 71 4.678 4.678 4.818 -0.140 17879 8275 1 13 . 1 1 72 72 PRO CA C 71 62.124 62.124 61.251 0.873 17879 8276 1 13 . 1 1 72 72 PRO CB C 71 31.307 31.307 30.974 0.332 17879 8277 1 13 . 1 1 73 73 PRO HA H 72 4.123 4.123 4.384 -0.261 17879 8278 1 13 . 1 1 73 73 PRO C C 72 177.052 177.052 176.625 0.427 17879 8279 1 13 . 1 1 73 73 PRO CA C 72 64.924 64.924 64.238 0.686 17879 8280 1 13 . 1 1 73 73 PRO CB C 72 32.049 32.049 32.059 -0.010 17879 8281 1 13 . 1 1 74 74 GLU N N 73 115.091 115.091 116.408 -1.317 17879 8282 1 13 . 1 1 74 74 GLU HA H 73 4.181 4.181 4.310 -0.129 17879 8283 1 13 . 1 1 74 74 GLU C C 73 176.459 176.459 176.541 -0.082 17879 8284 1 13 . 1 1 74 74 GLU CA C 73 57.774 57.774 56.574 1.200 17879 8285 1 13 . 1 1 74 74 GLU CB C 73 28.321 28.321 29.003 -0.682 17879 8286 1 13 . 1 1 74 74 GLU H H 73 9.065 9.065 8.666 0.399 17879 8287 1 13 . 1 1 75 75 LYS N N 74 121.755 121.755 119.261 2.494 17879 8288 1 13 . 1 1 75 75 LYS HA H 74 4.520 4.520 4.586 -0.066 17879 8289 1 13 . 1 1 75 75 LYS C C 74 174.789 174.789 174.518 0.271 17879 8290 1 13 . 1 1 75 75 LYS CA C 74 54.789 54.789 54.789 -0.000 17879 8291 1 13 . 1 1 75 75 LYS CB C 74 32.882 32.882 35.818 -2.936 17879 8292 1 13 . 1 1 75 75 LYS H H 74 7.797 7.797 7.485 0.312 17879 8293 1 13 . 1 1 76 76 ALA N N 75 127.848 127.848 121.180 6.668 17879 8294 1 13 . 1 1 76 76 ALA HA H 75 4.072 4.072 4.604 -0.532 17879 8295 1 13 . 1 1 76 76 ALA C C 75 175.710 175.710 174.927 0.783 17879 8296 1 13 . 1 1 76 76 ALA CA C 75 52.226 52.226 51.235 0.991 17879 8297 1 13 . 1 1 76 76 ALA CB C 75 20.956 20.956 21.977 -1.021 17879 8298 1 13 . 1 1 76 76 ALA H H 75 8.410 8.410 8.406 0.004 17879 8299 1 13 . 1 1 77 77 ILE N N 76 114.298 114.298 121.056 -6.758 17879 8300 1 13 . 1 1 77 77 ILE HA H 76 4.593 4.593 5.047 -0.454 17879 8301 1 13 . 1 1 77 77 ILE C C 76 172.379 172.379 173.804 -1.425 17879 8302 1 13 . 1 1 77 77 ILE CA C 76 59.699 59.699 60.697 -0.998 17879 8303 1 13 . 1 1 77 77 ILE CB C 76 41.218 41.218 40.841 0.377 17879 8304 1 13 . 1 1 77 77 ILE H H 76 7.193 7.193 7.905 -0.712 17879 8305 1 13 . 1 1 78 78 PHE N N 77 124.094 124.094 126.918 -2.824 17879 8306 1 13 . 1 1 78 78 PHE HA H 77 4.556 4.556 4.916 -0.360 17879 8307 1 13 . 1 1 78 78 PHE C C 77 174.359 174.359 174.801 -0.442 17879 8308 1 13 . 1 1 78 78 PHE CA C 77 56.596 56.596 56.232 0.364 17879 8309 1 13 . 1 1 78 78 PHE CB C 77 42.370 42.370 41.922 0.448 17879 8310 1 13 . 1 1 78 78 PHE H H 77 8.931 8.931 9.320 -0.389 17879 8311 1 13 . 1 1 79 79 ILE N N 78 117.724 117.724 121.995 -4.271 17879 8312 1 13 . 1 1 79 79 ILE HA H 78 5.233 5.233 4.986 0.247 17879 8313 1 13 . 1 1 79 79 ILE C C 78 173.334 173.334 175.093 -1.759 17879 8314 1 13 . 1 1 79 79 ILE CA C 78 58.130 58.130 60.670 -2.540 17879 8315 1 13 . 1 1 79 79 ILE CB C 78 39.360 39.360 38.382 0.978 17879 8316 1 13 . 1 1 79 79 ILE H H 78 8.025 8.025 8.881 -0.856 17879 8317 1 13 . 1 1 80 80 PHE N N 79 121.084 121.084 126.236 -5.152 17879 8318 1 13 . 1 1 80 80 PHE HA H 79 5.365 5.365 5.009 0.356 17879 8319 1 13 . 1 1 80 80 PHE C C 79 176.270 176.270 174.595 1.675 17879 8320 1 13 . 1 1 80 80 PHE CA C 79 55.948 55.948 56.685 -0.737 17879 8321 1 13 . 1 1 80 80 PHE CB C 79 42.763 42.763 42.340 0.423 17879 8322 1 13 . 1 1 80 80 PHE H H 79 9.210 9.210 9.096 0.114 17879 8323 1 13 . 1 1 81 81 VAL N N 80 117.974 117.974 123.997 -6.023 17879 8324 1 13 . 1 1 81 81 VAL HA H 80 4.520 4.520 4.447 0.073 17879 8325 1 13 . 1 1 81 81 VAL C C 80 175.699 175.699 175.472 0.227 17879 8326 1 13 . 1 1 81 81 VAL CA C 80 60.484 60.484 61.555 -1.071 17879 8327 1 13 . 1 1 81 81 VAL CB C 80 34.263 34.263 32.706 1.557 17879 8328 1 13 . 1 1 81 81 VAL H H 80 8.832 8.832 9.072 -0.240 17879 8329 1 13 . 1 1 82 82 ASN N N 81 127.615 127.615 125.549 2.066 17879 8330 1 13 . 1 1 82 82 ASN HA H 81 4.339 4.339 4.434 -0.095 17879 8331 1 13 . 1 1 82 82 ASN C C 81 174.036 174.036 174.158 -0.122 17879 8332 1 13 . 1 1 82 82 ASN CA C 81 55.231 55.231 54.098 1.133 17879 8333 1 13 . 1 1 82 82 ASN CB C 81 37.408 37.408 37.632 -0.224 17879 8334 1 13 . 1 1 82 82 ASN H H 81 9.689 9.689 9.230 0.459 17879 8335 1 13 . 1 1 83 83 ASP N N 82 112.699 112.699 112.005 0.694 17879 8336 1 13 . 1 1 83 83 ASP HA H 82 4.135 4.135 4.276 -0.141 17879 8337 1 13 . 1 1 83 83 ASP C C 82 174.560 174.560 175.255 -0.695 17879 8338 1 13 . 1 1 83 83 ASP CA C 82 55.638 55.638 55.240 0.398 17879 8339 1 13 . 1 1 83 83 ASP CB C 82 39.564 39.564 39.054 0.510 17879 8340 1 13 . 1 1 83 83 ASP H H 82 8.772 8.772 8.562 0.210 17879 8341 1 13 . 1 1 84 84 THR N N 83 112.567 112.567 114.138 -1.571 17879 8342 1 13 . 1 1 84 84 THR HA H 83 4.715 4.715 4.680 0.035 17879 8343 1 13 . 1 1 84 84 THR C C 83 172.200 172.200 173.056 -0.856 17879 8344 1 13 . 1 1 84 84 THR CA C 83 60.868 60.868 61.515 -0.647 17879 8345 1 13 . 1 1 84 84 THR CB C 83 72.206 72.206 71.408 0.798 17879 8346 1 13 . 1 1 84 84 THR H H 83 8.080 8.080 7.366 0.714 17879 8347 1 13 . 1 1 85 85 LEU N N 84 125.810 125.810 129.861 -4.051 17879 8348 1 13 . 1 1 85 85 LEU HA H 84 5.127 5.127 4.972 0.155 17879 8349 1 13 . 1 1 85 85 LEU CA C 84 51.927 51.927 51.806 0.121 17879 8350 1 13 . 1 1 85 85 LEU CB C 84 42.779 42.779 42.745 0.034 17879 8351 1 13 . 1 1 85 85 LEU H H 84 8.520 8.520 8.642 -0.122 17879 8352 1 13 . 1 1 86 86 PRO HA H 85 4.835 4.835 4.754 0.081 17879 8353 1 13 . 1 1 86 86 PRO CA C 85 60.910 60.910 61.264 -0.354 17879 8354 1 13 . 1 1 86 86 PRO CB C 85 30.852 30.852 31.084 -0.232 17879 8355 1 13 . 1 1 87 87 PRO HA H 86 4.577 4.577 4.529 0.048 17879 8356 1 13 . 1 1 87 87 PRO C C 86 177.830 177.830 176.707 1.123 17879 8357 1 13 . 1 1 87 87 PRO CA C 86 62.424 62.424 62.502 -0.078 17879 8358 1 13 . 1 1 87 87 PRO CB C 86 31.910 31.910 32.237 -0.327 17879 8359 1 13 . 1 1 88 88 THR N N 87 114.642 114.642 107.545 7.097 17879 8360 1 13 . 1 1 88 88 THR HA H 87 3.802 3.802 4.374 -0.572 17879 8361 1 13 . 1 1 88 88 THR C C 87 175.702 175.702 175.899 -0.197 17879 8362 1 13 . 1 1 88 88 THR CA C 87 65.079 65.079 64.184 0.895 17879 8363 1 13 . 1 1 88 88 THR CB C 87 68.818 68.818 69.064 -0.246 17879 8364 1 13 . 1 1 88 88 THR H H 87 8.291 8.291 8.058 0.233 17879 8365 1 13 . 1 1 89 89 ALA N N 88 119.706 119.706 123.079 -3.373 17879 8366 1 13 . 1 1 89 89 ALA HA H 88 4.420 4.420 4.316 0.104 17879 8367 1 13 . 1 1 89 89 ALA C C 88 177.690 177.690 178.192 -0.502 17879 8368 1 13 . 1 1 89 89 ALA CA C 88 52.118 52.118 52.320 -0.202 17879 8369 1 13 . 1 1 89 89 ALA CB C 88 19.334 19.334 17.547 1.787 17879 8370 1 13 . 1 1 89 89 ALA H H 88 8.031 8.031 8.126 -0.095 17879 8371 1 13 . 1 1 90 90 ALA N N 89 120.388 120.388 122.209 -1.821 17879 8372 1 13 . 1 1 90 90 ALA HA H 89 4.179 4.179 4.265 -0.086 17879 8373 1 13 . 1 1 90 90 ALA C C 89 176.520 176.520 176.515 0.005 17879 8374 1 13 . 1 1 90 90 ALA CA C 89 52.454 52.454 51.029 1.425 17879 8375 1 13 . 1 1 90 90 ALA CB C 89 19.301 19.301 16.962 2.339 17879 8376 1 13 . 1 1 90 90 ALA H H 89 7.465 7.465 8.105 -0.640 17879 8377 1 13 . 1 1 91 91 LEU N N 90 119.307 119.307 122.222 -2.915 17879 8378 1 13 . 1 1 91 91 LEU HA H 90 4.490 4.490 3.973 0.517 17879 8379 1 13 . 1 1 91 91 LEU C C 90 179.555 179.555 178.013 1.542 17879 8380 1 13 . 1 1 91 91 LEU CA C 90 54.578 54.578 56.136 -1.558 17879 8381 1 13 . 1 1 91 91 LEU CB C 90 42.689 42.689 41.909 0.780 17879 8382 1 13 . 1 1 91 91 LEU H H 90 8.458 8.458 8.385 0.073 17879 8383 1 13 . 1 1 92 92 MET N N 91 121.586 121.586 124.544 -2.958 17879 8384 1 13 . 1 1 92 92 MET HA H 91 4.231 4.231 4.006 0.225 17879 8385 1 13 . 1 1 92 92 MET C C 91 178.860 178.860 178.756 0.104 17879 8386 1 13 . 1 1 92 92 MET CA C 91 56.938 56.938 57.971 -1.033 17879 8387 1 13 . 1 1 92 92 MET CB C 91 29.372 29.372 31.176 -1.804 17879 8388 1 13 . 1 1 92 92 MET H H 91 9.203 9.203 8.409 0.794 17879 8389 1 13 . 1 1 93 93 SER N N 92 112.826 112.826 115.230 -2.404 17879 8390 1 13 . 1 1 93 93 SER HA H 92 3.978 3.978 4.121 -0.143 17879 8391 1 13 . 1 1 93 93 SER C C 92 176.318 176.318 175.858 0.460 17879 8392 1 13 . 1 1 93 93 SER CA C 92 60.871 60.871 60.563 0.308 17879 8393 1 13 . 1 1 93 93 SER CB C 92 61.575 61.575 62.963 -1.388 17879 8394 1 13 . 1 1 93 93 SER H H 92 8.717 8.717 8.500 0.217 17879 8395 1 13 . 1 1 94 94 ALA N N 93 126.735 126.735 122.923 3.812 17879 8396 1 13 . 1 1 94 94 ALA HA H 93 4.357 4.357 4.308 0.049 17879 8397 1 13 . 1 1 94 94 ALA C C 93 180.789 180.789 180.180 0.609 17879 8398 1 13 . 1 1 94 94 ALA CA C 93 54.841 54.841 54.236 0.605 17879 8399 1 13 . 1 1 94 94 ALA CB C 93 18.603 18.603 19.075 -0.472 17879 8400 1 13 . 1 1 94 94 ALA H H 93 7.058 7.058 7.739 -0.681 17879 8401 1 13 . 1 1 95 95 ILE N N 94 118.720 118.720 119.883 -1.163 17879 8402 1 13 . 1 1 95 95 ILE HA H 94 4.063 4.063 3.673 0.390 17879 8403 1 13 . 1 1 95 95 ILE C C 94 178.326 178.326 177.229 1.097 17879 8404 1 13 . 1 1 95 95 ILE CA C 94 62.755 62.755 64.234 -1.479 17879 8405 1 13 . 1 1 95 95 ILE CB C 94 36.410 36.410 36.995 -0.585 17879 8406 1 13 . 1 1 95 95 ILE H H 94 7.872 7.872 8.254 -0.382 17879 8407 1 13 . 1 1 96 96 TYR N N 95 120.697 120.697 118.139 2.558 17879 8408 1 13 . 1 1 96 96 TYR HA H 95 4.007 4.007 4.211 -0.204 17879 8409 1 13 . 1 1 96 96 TYR C C 95 176.022 176.022 175.960 0.062 17879 8410 1 13 . 1 1 96 96 TYR CA C 95 62.187 62.187 59.966 2.221 17879 8411 1 13 . 1 1 96 96 TYR CB C 95 39.093 39.093 38.544 0.548 17879 8412 1 13 . 1 1 96 96 TYR H H 95 8.841 8.841 8.125 0.716 17879 8413 1 13 . 1 1 97 97 GLN N N 96 114.982 114.982 117.937 -2.955 17879 8414 1 13 . 1 1 97 97 GLN HA H 96 3.778 3.778 4.376 -0.598 17879 8415 1 13 . 1 1 97 97 GLN C C 96 177.250 177.250 176.381 0.869 17879 8416 1 13 . 1 1 97 97 GLN CA C 96 58.719 58.719 56.414 2.305 17879 8417 1 13 . 1 1 97 97 GLN CB C 96 28.286 28.286 29.169 -0.883 17879 8418 1 13 . 1 1 97 97 GLN H H 96 7.757 7.757 7.748 0.009 17879 8419 1 13 . 1 1 98 98 GLU N N 97 114.340 114.340 117.704 -3.364 17879 8420 1 13 . 1 1 98 98 GLU HA H 97 4.099 4.099 4.292 -0.193 17879 8421 1 13 . 1 1 98 98 GLU C C 97 178.140 178.140 176.838 1.302 17879 8422 1 13 . 1 1 98 98 GLU CA C 97 57.886 57.886 56.622 1.264 17879 8423 1 13 . 1 1 98 98 GLU CB C 97 31.589 31.589 31.419 0.170 17879 8424 1 13 . 1 1 98 98 GLU H H 97 7.117 7.117 7.870 -0.753 17879 8425 1 13 . 1 1 99 99 HIS N N 98 113.377 113.377 117.316 -3.939 17879 8426 1 13 . 1 1 99 99 HIS HA H 98 4.829 4.829 4.773 0.056 17879 8427 1 13 . 1 1 99 99 HIS C C 98 175.856 175.856 174.279 1.577 17879 8428 1 13 . 1 1 99 99 HIS CA C 98 56.738 56.738 54.452 2.286 17879 8429 1 13 . 1 1 99 99 HIS CB C 98 32.930 32.930 30.809 2.121 17879 8430 1 13 . 1 1 99 99 HIS H H 98 8.247 8.247 8.004 0.243 17879 8431 1 13 . 1 1 100 100 LYS N N 99 120.905 120.905 118.672 2.233 17879 8432 1 13 . 1 1 100 100 LYS HA H 99 3.994 3.994 3.714 0.280 17879 8433 1 13 . 1 1 100 100 LYS C C 99 174.832 174.832 175.610 -0.778 17879 8434 1 13 . 1 1 100 100 LYS CA C 99 57.693 57.693 56.748 0.945 17879 8435 1 13 . 1 1 100 100 LYS CB C 99 31.703 31.703 32.495 -0.792 17879 8436 1 13 . 1 1 100 100 LYS H H 99 8.065 8.065 7.650 0.415 17879 8437 1 13 . 1 1 101 101 ASP N N 100 124.188 124.188 118.489 5.699 17879 8438 1 13 . 1 1 101 101 ASP HA H 100 4.765 4.765 4.822 -0.057 17879 8439 1 13 . 1 1 101 101 ASP C C 100 177.692 177.692 176.200 1.492 17879 8440 1 13 . 1 1 101 101 ASP CA C 100 54.030 54.030 52.372 1.658 17879 8441 1 13 . 1 1 101 101 ASP CB C 100 43.429 43.429 43.811 -0.382 17879 8442 1 13 . 1 1 101 101 ASP H H 100 9.027 9.027 8.124 0.903 17879 8443 1 13 . 1 1 102 102 LYS N N 101 125.898 125.898 119.699 6.199 17879 8444 1 13 . 1 1 102 102 LYS HA H 101 4.239 4.239 4.150 0.089 17879 8445 1 13 . 1 1 102 102 LYS C C 101 178.053 178.053 177.478 0.575 17879 8446 1 13 . 1 1 102 102 LYS CA C 101 59.482 59.482 58.947 0.535 17879 8447 1 13 . 1 1 102 102 LYS CB C 101 32.821 32.821 32.782 0.039 17879 8448 1 13 . 1 1 102 102 LYS H H 101 8.678 8.678 8.792 -0.114 17879 8449 1 13 . 1 1 103 103 ASP N N 102 119.326 119.326 115.908 3.418 17879 8450 1 13 . 1 1 103 103 ASP HA H 102 4.127 4.127 4.530 -0.403 17879 8451 1 13 . 1 1 103 103 ASP C C 102 176.833 176.833 176.970 -0.137 17879 8452 1 13 . 1 1 103 103 ASP CA C 102 54.666 54.666 54.402 0.264 17879 8453 1 13 . 1 1 103 103 ASP CB C 102 39.848 39.848 40.941 -1.093 17879 8454 1 13 . 1 1 103 103 ASP H H 102 10.276 10.276 8.231 2.045 17879 8455 1 13 . 1 1 104 104 GLY N N 103 106.059 106.059 107.510 -1.451 17879 8456 1 13 . 1 1 104 104 GLY C C 103 174.655 174.655 174.812 -0.157 17879 8457 1 13 . 1 1 104 104 GLY CA C 103 45.319 45.319 45.703 -0.384 17879 8458 1 13 . 1 1 104 104 GLY H H 103 8.173 8.173 8.042 0.131 17879 8459 1 13 . 1 1 105 105 PHE N N 104 121.781 121.781 122.091 -0.310 17879 8460 1 13 . 1 1 105 105 PHE HA H 104 4.682 4.682 4.335 0.347 17879 8461 1 13 . 1 1 105 105 PHE C C 104 174.830 174.830 175.854 -1.024 17879 8462 1 13 . 1 1 105 105 PHE CA C 104 59.377 59.377 59.797 -0.420 17879 8463 1 13 . 1 1 105 105 PHE CB C 104 39.938 39.938 39.402 0.536 17879 8464 1 13 . 1 1 105 105 PHE H H 104 9.600 9.600 7.690 1.910 17879 8465 1 13 . 1 1 106 106 LEU N N 105 119.929 119.929 123.139 -3.210 17879 8466 1 13 . 1 1 106 106 LEU HA H 105 4.897 4.897 4.230 0.667 17879 8467 1 13 . 1 1 106 106 LEU C C 105 173.947 173.947 175.945 -1.998 17879 8468 1 13 . 1 1 106 106 LEU CA C 105 53.463 53.463 54.281 -0.818 17879 8469 1 13 . 1 1 106 106 LEU CB C 105 45.066 45.066 43.594 1.472 17879 8470 1 13 . 1 1 106 106 LEU H H 105 8.376 8.376 8.314 0.062 17879 8471 1 13 . 1 1 107 107 TYR N N 106 127.637 127.637 120.447 7.190 17879 8472 1 13 . 1 1 107 107 TYR HA H 106 4.992 4.992 4.898 0.094 17879 8473 1 13 . 1 1 107 107 TYR C C 106 176.099 176.099 174.625 1.474 17879 8474 1 13 . 1 1 107 107 TYR CA C 106 58.893 58.893 57.199 1.694 17879 8475 1 13 . 1 1 107 107 TYR CB C 106 38.140 38.140 39.855 -1.715 17879 8476 1 13 . 1 1 107 107 TYR H H 106 9.124 9.124 8.649 0.475 17879 8477 1 13 . 1 1 108 108 VAL N N 107 121.630 121.630 121.527 0.103 17879 8478 1 13 . 1 1 108 108 VAL HA H 107 5.135 5.135 4.579 0.556 17879 8479 1 13 . 1 1 108 108 VAL C C 107 175.722 175.722 174.862 0.860 17879 8480 1 13 . 1 1 108 108 VAL CA C 107 59.587 59.587 59.832 -0.245 17879 8481 1 13 . 1 1 108 108 VAL CB C 107 34.787 34.787 34.217 0.570 17879 8482 1 13 . 1 1 108 108 VAL H H 107 9.560 9.560 8.354 1.206 17879 8483 1 13 . 1 1 109 109 THR N N 108 119.845 119.845 118.238 1.607 17879 8484 1 13 . 1 1 109 109 THR HA H 108 6.155 6.155 5.575 0.580 17879 8485 1 13 . 1 1 109 109 THR C C 108 174.158 174.158 173.318 0.840 17879 8486 1 13 . 1 1 109 109 THR CA C 108 59.869 59.869 61.332 -1.463 17879 8487 1 13 . 1 1 109 109 THR CB C 108 72.268 72.268 72.454 -0.186 17879 8488 1 13 . 1 1 109 109 THR H H 108 9.061 9.061 8.118 0.943 17879 8489 1 13 . 1 1 110 110 TYR N N 109 119.706 119.706 119.187 0.519 17879 8490 1 13 . 1 1 110 110 TYR HA H 109 6.332 6.332 5.891 0.441 17879 8491 1 13 . 1 1 110 110 TYR C C 109 173.366 173.366 173.530 -0.164 17879 8492 1 13 . 1 1 110 110 TYR CA C 109 54.655 54.655 55.554 -0.899 17879 8493 1 13 . 1 1 110 110 TYR CB C 109 42.250 42.250 41.398 0.852 17879 8494 1 13 . 1 1 110 110 TYR H H 109 8.461 8.461 8.849 -0.388 17879 8495 1 13 . 1 1 111 111 SER N N 110 112.907 112.907 117.353 -4.446 17879 8496 1 13 . 1 1 111 111 SER HA H 110 4.745 4.745 4.927 -0.182 17879 8497 1 13 . 1 1 111 111 SER C C 110 173.692 173.692 175.204 -1.512 17879 8498 1 13 . 1 1 111 111 SER CA C 110 56.044 56.044 55.618 0.426 17879 8499 1 13 . 1 1 111 111 SER CB C 110 66.177 66.177 66.966 -0.789 17879 8500 1 13 . 1 1 111 111 SER H H 110 9.089 9.089 9.124 -0.035 17879 8501 1 13 . 1 1 112 112 GLY N N 111 111.054 111.054 107.104 3.950 17879 8502 1 13 . 1 1 112 112 GLY C C 111 173.331 173.331 174.463 -1.132 17879 8503 1 13 . 1 1 112 112 GLY CA C 111 45.341 45.341 45.301 0.040 17879 8504 1 13 . 1 1 112 112 GLY H H 111 8.443 8.443 8.825 -0.382 17879 8505 1 13 . 1 1 113 113 GLU N N 112 118.801 118.801 118.071 0.730 17879 8506 1 13 . 1 1 113 113 GLU HA H 112 4.660 4.660 4.668 -0.008 17879 8507 1 13 . 1 1 113 113 GLU C C 112 174.538 174.538 174.741 -0.203 17879 8508 1 13 . 1 1 113 113 GLU CA C 112 55.642 55.642 54.493 1.149 17879 8509 1 13 . 1 1 113 113 GLU CB C 112 32.930 32.930 31.300 1.630 17879 8510 1 13 . 1 1 113 113 GLU H H 112 8.413 8.413 7.434 0.979 17879 8511 1 13 . 1 1 114 114 ASN N N 113 118.152 118.152 118.262 -0.110 17879 8512 1 13 . 1 1 114 114 ASN HA H 113 4.187 4.187 4.163 0.024 17879 8513 1 13 . 1 1 114 114 ASN C C 113 175.011 175.011 174.323 0.688 17879 8514 1 13 . 1 1 114 114 ASN CA C 113 51.910 51.910 53.422 -1.512 17879 8515 1 13 . 1 1 114 114 ASN CB C 113 36.865 36.865 38.310 -1.445 17879 8516 1 13 . 1 1 114 114 ASN H H 113 8.207 8.207 8.560 -0.353 17879 8517 1 13 . 1 1 115 115 THR N N 114 112.887 112.887 111.689 1.198 17879 8518 1 13 . 1 1 115 115 THR HA H 114 4.190 4.190 4.767 -0.577 17879 8519 1 13 . 1 1 115 115 THR C C 114 173.575 173.575 172.625 0.950 17879 8520 1 13 . 1 1 115 115 THR CA C 114 61.149 61.149 60.735 0.414 17879 8521 1 13 . 1 1 115 115 THR CB C 114 69.859 69.859 71.937 -2.078 17879 8522 1 13 . 1 1 115 115 THR H H 114 7.411 7.411 7.618 -0.207 17879 8523 1 13 . 1 1 116 116 PHE N N 115 121.474 121.474 118.762 2.712 17879 8524 1 13 . 1 1 116 116 PHE HA H 115 4.451 4.451 4.674 -0.223 17879 8525 1 13 . 1 1 116 116 PHE C C 115 175.078 175.078 175.069 0.009 17879 8526 1 13 . 1 1 116 116 PHE CA C 115 57.681 57.681 56.188 1.493 17879 8527 1 13 . 1 1 116 116 PHE CB C 115 39.569 39.569 38.948 0.621 17879 8528 1 13 . 1 1 116 116 PHE H H 115 8.021 8.021 7.471 0.550 17879 8529 1 14 . 1 1 2 2 MET N N 1 122.410 122.410 121.780 0.630 17879 8530 1 14 . 1 1 2 2 MET HA H 1 4.455 4.455 4.736 -0.281 17879 8531 1 14 . 1 1 2 2 MET C C 1 175.655 175.655 174.247 1.408 17879 8532 1 14 . 1 1 2 2 MET CA C 1 55.438 55.438 54.427 1.011 17879 8533 1 14 . 1 1 2 2 MET CB C 1 33.126 33.126 35.670 -2.544 17879 8534 1 14 . 1 1 2 2 MET H H 1 8.425 8.425 8.471 -0.046 17879 8535 1 14 . 1 1 3 3 LYS N N 2 123.656 123.656 118.419 5.237 17879 8536 1 14 . 1 1 3 3 LYS HA H 2 4.326 4.326 4.504 -0.178 17879 8537 1 14 . 1 1 3 3 LYS C C 2 176.266 176.266 176.142 0.124 17879 8538 1 14 . 1 1 3 3 LYS CA C 2 56.348 56.348 55.706 0.642 17879 8539 1 14 . 1 1 3 3 LYS CB C 2 33.219 33.219 33.703 -0.484 17879 8540 1 14 . 1 1 3 3 LYS H H 2 8.512 8.512 8.262 0.250 17879 8541 1 14 . 1 1 4 4 SER N N 3 118.350 118.350 114.185 4.165 17879 8542 1 14 . 1 1 4 4 SER HA H 3 4.631 4.631 4.498 0.133 17879 8543 1 14 . 1 1 4 4 SER C C 3 175.421 175.421 174.591 0.830 17879 8544 1 14 . 1 1 4 4 SER CA C 3 57.629 57.629 58.747 -1.118 17879 8545 1 14 . 1 1 4 4 SER CB C 3 64.079 64.079 64.135 -0.056 17879 8546 1 14 . 1 1 4 4 SER H H 3 8.426 8.426 7.871 0.555 17879 8547 1 14 . 1 1 5 5 THR N N 4 127.775 127.775 111.053 16.722 17879 8548 1 14 . 1 1 5 5 THR HA H 4 4.482 4.482 4.372 0.110 17879 8549 1 14 . 1 1 5 5 THR C C 4 174.680 174.680 174.535 0.145 17879 8550 1 14 . 1 1 5 5 THR CA C 4 62.001 62.001 62.718 -0.717 17879 8551 1 14 . 1 1 5 5 THR CB C 4 70.137 70.137 69.461 0.676 17879 8552 1 14 . 1 1 5 5 THR H H 4 9.971 9.971 8.414 1.557 17879 8553 1 14 . 1 1 6 6 PHE N N 5 123.021 123.021 122.249 0.772 17879 8554 1 14 . 1 1 6 6 PHE HA H 5 4.125 4.125 4.274 -0.149 17879 8555 1 14 . 1 1 6 6 PHE C C 5 177.064 177.064 175.907 1.157 17879 8556 1 14 . 1 1 6 6 PHE CA C 5 63.041 63.041 61.014 2.027 17879 8557 1 14 . 1 1 6 6 PHE CB C 5 40.828 40.828 39.133 1.695 17879 8558 1 14 . 1 1 6 6 PHE H H 5 8.863 8.863 8.543 0.320 17879 8559 1 14 . 1 1 7 7 LYS N N 6 114.006 114.006 117.611 -3.605 17879 8560 1 14 . 1 1 7 7 LYS HA H 6 3.916 3.916 3.572 0.344 17879 8561 1 14 . 1 1 7 7 LYS C C 6 177.535 177.535 177.725 -0.190 17879 8562 1 14 . 1 1 7 7 LYS CA C 6 60.026 60.026 57.640 2.386 17879 8563 1 14 . 1 1 7 7 LYS CB C 6 33.611 33.611 32.219 1.391 17879 8564 1 14 . 1 1 7 7 LYS H H 6 8.661 8.661 8.303 0.358 17879 8565 1 14 . 1 1 8 8 SER N N 7 111.149 111.149 114.036 -2.887 17879 8566 1 14 . 1 1 8 8 SER HA H 7 4.275 4.275 4.270 0.005 17879 8567 1 14 . 1 1 8 8 SER C C 7 175.689 175.689 175.155 0.534 17879 8568 1 14 . 1 1 8 8 SER CA C 7 60.007 60.007 59.731 0.276 17879 8569 1 14 . 1 1 8 8 SER CB C 7 63.759 63.759 62.574 1.185 17879 8570 1 14 . 1 1 8 8 SER H H 7 7.552 7.552 8.113 -0.561 17879 8571 1 14 . 1 1 9 9 GLU N N 8 122.296 122.296 120.675 1.621 17879 8572 1 14 . 1 1 9 9 GLU HA H 8 3.818 3.818 4.240 -0.422 17879 8573 1 14 . 1 1 9 9 GLU C C 8 176.068 176.068 175.679 0.389 17879 8574 1 14 . 1 1 9 9 GLU CA C 8 58.137 58.137 57.361 0.776 17879 8575 1 14 . 1 1 9 9 GLU CB C 8 30.965 30.965 31.029 -0.064 17879 8576 1 14 . 1 1 9 9 GLU H H 8 7.924 7.924 7.569 0.355 17879 8577 1 14 . 1 1 10 10 TYR N N 9 115.131 115.131 114.087 1.044 17879 8578 1 14 . 1 1 10 10 TYR HA H 9 5.066 5.066 4.810 0.256 17879 8579 1 14 . 1 1 10 10 TYR CA C 9 53.958 53.958 54.002 -0.044 17879 8580 1 14 . 1 1 10 10 TYR CB C 9 41.055 41.055 37.925 3.130 17879 8581 1 14 . 1 1 10 10 TYR H H 9 7.052 7.052 6.786 0.266 17879 8582 1 14 . 1 1 11 11 PRO HA H 10 4.708 4.708 4.628 0.080 17879 8583 1 14 . 1 1 11 11 PRO C C 10 177.384 177.384 177.342 0.042 17879 8584 1 14 . 1 1 11 11 PRO CA C 10 62.279 62.279 61.929 0.350 17879 8585 1 14 . 1 1 11 11 PRO CB C 10 33.087 33.087 32.745 0.342 17879 8586 1 14 . 1 1 12 12 PHE N N 11 125.307 125.307 121.774 3.533 17879 8587 1 14 . 1 1 12 12 PHE HA H 11 3.883 3.883 4.288 -0.405 17879 8588 1 14 . 1 1 12 12 PHE C C 11 176.157 176.157 176.695 -0.538 17879 8589 1 14 . 1 1 12 12 PHE CA C 11 63.156 63.156 61.378 1.778 17879 8590 1 14 . 1 1 12 12 PHE CB C 11 39.935 39.935 39.230 0.705 17879 8591 1 14 . 1 1 12 12 PHE H H 11 9.385 9.385 8.819 0.566 17879 8592 1 14 . 1 1 13 13 GLU N N 12 115.356 115.356 119.212 -3.856 17879 8593 1 14 . 1 1 13 13 GLU HA H 12 3.857 3.857 4.212 -0.355 17879 8594 1 14 . 1 1 13 13 GLU C C 12 179.598 179.598 177.162 2.436 17879 8595 1 14 . 1 1 13 13 GLU CA C 12 60.317 60.317 58.703 1.614 17879 8596 1 14 . 1 1 13 13 GLU CB C 12 28.642 28.642 29.192 -0.550 17879 8597 1 14 . 1 1 13 13 GLU H H 12 9.800 9.800 8.939 0.861 17879 8598 1 14 . 1 1 14 14 LYS N N 13 118.194 118.194 119.685 -1.491 17879 8599 1 14 . 1 1 14 14 LYS HA H 13 4.246 4.246 4.301 -0.055 17879 8600 1 14 . 1 1 14 14 LYS C C 13 178.804 178.804 178.133 0.671 17879 8601 1 14 . 1 1 14 14 LYS CA C 13 58.143 58.143 57.795 0.348 17879 8602 1 14 . 1 1 14 14 LYS CB C 13 32.770 32.770 33.189 -0.419 17879 8603 1 14 . 1 1 14 14 LYS H H 13 7.160 7.160 7.860 -0.700 17879 8604 1 14 . 1 1 15 15 ARG N N 14 120.949 120.949 120.233 0.716 17879 8605 1 14 . 1 1 15 15 ARG HA H 14 3.892 3.892 4.111 -0.219 17879 8606 1 14 . 1 1 15 15 ARG C C 14 176.858 176.858 178.298 -1.440 17879 8607 1 14 . 1 1 15 15 ARG CA C 14 61.520 61.520 59.543 1.977 17879 8608 1 14 . 1 1 15 15 ARG CB C 14 32.840 32.840 30.035 2.805 17879 8609 1 14 . 1 1 15 15 ARG H H 14 7.686 7.686 7.970 -0.284 17879 8610 1 14 . 1 1 16 16 LYS N N 15 119.224 119.224 120.713 -1.489 17879 8611 1 14 . 1 1 16 16 LYS HA H 15 4.449 4.449 4.209 0.240 17879 8612 1 14 . 1 1 16 16 LYS C C 15 177.796 177.796 178.445 -0.649 17879 8613 1 14 . 1 1 16 16 LYS CA C 15 57.366 57.366 59.009 -1.643 17879 8614 1 14 . 1 1 16 16 LYS CB C 15 32.529 32.529 31.416 1.113 17879 8615 1 14 . 1 1 16 16 LYS H H 15 8.667 8.667 8.244 0.423 17879 8616 1 14 . 1 1 17 17 ALA N N 16 117.777 117.777 120.128 -2.351 17879 8617 1 14 . 1 1 17 17 ALA HA H 16 4.164 4.164 4.293 -0.129 17879 8618 1 14 . 1 1 17 17 ALA C C 16 180.641 180.641 179.503 1.138 17879 8619 1 14 . 1 1 17 17 ALA CA C 16 54.627 54.627 54.174 0.453 17879 8620 1 14 . 1 1 17 17 ALA CB C 16 18.114 18.114 18.100 0.014 17879 8621 1 14 . 1 1 17 17 ALA H H 16 7.305 7.305 8.169 -0.864 17879 8622 1 14 . 1 1 18 18 GLU N N 17 119.934 119.934 120.485 -0.551 17879 8623 1 14 . 1 1 18 18 GLU HA H 17 4.695 4.695 4.185 0.510 17879 8624 1 14 . 1 1 18 18 GLU C C 17 178.339 178.339 178.763 -0.424 17879 8625 1 14 . 1 1 18 18 GLU CA C 17 58.173 58.173 58.353 -0.180 17879 8626 1 14 . 1 1 18 18 GLU CB C 17 28.765 28.765 29.438 -0.673 17879 8627 1 14 . 1 1 18 18 GLU H H 17 7.849 7.849 7.916 -0.067 17879 8628 1 14 . 1 1 19 19 SER N N 18 117.685 117.685 115.125 2.560 17879 8629 1 14 . 1 1 19 19 SER HA H 18 3.542 3.542 3.951 -0.409 17879 8630 1 14 . 1 1 19 19 SER C C 18 178.206 178.206 176.913 1.293 17879 8631 1 14 . 1 1 19 19 SER CA C 18 62.108 62.108 60.822 1.286 17879 8632 1 14 . 1 1 19 19 SER CB C 18 59.839 59.839 62.285 -2.446 17879 8633 1 14 . 1 1 19 19 SER H H 18 8.785 8.785 8.902 -0.117 17879 8634 1 14 . 1 1 20 20 GLU N N 19 124.346 124.346 121.804 2.542 17879 8635 1 14 . 1 1 20 20 GLU HA H 19 3.988 3.988 4.121 -0.133 17879 8636 1 14 . 1 1 20 20 GLU C C 19 178.788 178.788 178.774 0.014 17879 8637 1 14 . 1 1 20 20 GLU CA C 19 59.701 59.701 59.109 0.592 17879 8638 1 14 . 1 1 20 20 GLU CB C 19 29.318 29.318 29.478 -0.160 17879 8639 1 14 . 1 1 20 20 GLU H H 19 8.052 8.052 7.895 0.157 17879 8640 1 14 . 1 1 21 21 ARG N N 20 122.089 122.089 118.861 3.228 17879 8641 1 14 . 1 1 21 21 ARG HA H 20 4.093 4.093 4.231 -0.138 17879 8642 1 14 . 1 1 21 21 ARG C C 20 179.458 179.458 178.349 1.109 17879 8643 1 14 . 1 1 21 21 ARG CA C 20 59.500 59.500 58.499 1.001 17879 8644 1 14 . 1 1 21 21 ARG CB C 20 30.412 30.412 29.775 0.637 17879 8645 1 14 . 1 1 21 21 ARG H H 20 7.958 7.958 7.795 0.163 17879 8646 1 14 . 1 1 22 22 ILE N N 21 119.893 119.893 120.139 -0.246 17879 8647 1 14 . 1 1 22 22 ILE HA H 21 3.623 3.623 3.822 -0.199 17879 8648 1 14 . 1 1 22 22 ILE C C 21 176.842 176.842 177.203 -0.361 17879 8649 1 14 . 1 1 22 22 ILE CA C 21 65.145 65.145 64.227 0.918 17879 8650 1 14 . 1 1 22 22 ILE CB C 21 38.195 38.195 37.941 0.255 17879 8651 1 14 . 1 1 22 22 ILE H H 21 8.277 8.277 7.852 0.425 17879 8652 1 14 . 1 1 23 23 ALA N N 22 121.816 121.816 120.978 0.838 17879 8653 1 14 . 1 1 23 23 ALA HA H 22 4.071 4.071 4.081 -0.010 17879 8654 1 14 . 1 1 23 23 ALA C C 22 179.199 179.199 177.765 1.434 17879 8655 1 14 . 1 1 23 23 ALA CA C 22 54.519 54.519 54.251 0.268 17879 8656 1 14 . 1 1 23 23 ALA CB C 22 18.001 18.001 18.451 -0.450 17879 8657 1 14 . 1 1 23 23 ALA H H 22 7.962 7.962 7.513 0.449 17879 8658 1 14 . 1 1 24 24 ASP N N 23 114.866 114.866 117.147 -2.281 17879 8659 1 14 . 1 1 24 24 ASP HA H 23 4.401 4.401 4.600 -0.199 17879 8660 1 14 . 1 1 24 24 ASP C C 23 177.324 177.324 178.184 -0.860 17879 8661 1 14 . 1 1 24 24 ASP CA C 23 56.248 56.248 55.185 1.063 17879 8662 1 14 . 1 1 24 24 ASP CB C 23 42.193 42.193 41.706 0.487 17879 8663 1 14 . 1 1 24 24 ASP H H 23 7.368 7.368 7.671 -0.303 17879 8664 1 14 . 1 1 25 25 ARG N N 24 116.868 116.868 118.952 -2.084 17879 8665 1 14 . 1 1 25 25 ARG HA H 24 3.922 3.922 3.736 0.186 17879 8666 1 14 . 1 1 25 25 ARG C C 24 176.266 176.266 175.876 0.390 17879 8667 1 14 . 1 1 25 25 ARG CA C 24 57.158 57.158 57.180 -0.022 17879 8668 1 14 . 1 1 25 25 ARG CB C 24 31.477 31.477 30.680 0.797 17879 8669 1 14 . 1 1 25 25 ARG H H 24 7.815 7.815 7.895 -0.080 17879 8670 1 14 . 1 1 26 26 PHE N N 25 116.737 116.737 114.701 2.036 17879 8671 1 14 . 1 1 26 26 PHE HA H 25 5.084 5.084 4.875 0.209 17879 8672 1 14 . 1 1 26 26 PHE CA C 25 54.304 54.304 55.349 -1.044 17879 8673 1 14 . 1 1 26 26 PHE CB C 25 39.026 39.026 39.910 -0.884 17879 8674 1 14 . 1 1 26 26 PHE H H 25 8.658 8.658 7.933 0.725 17879 8675 1 14 . 1 1 27 27 PRO HA H 26 4.503 4.503 4.343 0.160 17879 8676 1 14 . 1 1 27 27 PRO C C 26 177.538 177.538 176.355 1.183 17879 8677 1 14 . 1 1 27 27 PRO CA C 26 64.394 64.394 64.212 0.182 17879 8678 1 14 . 1 1 27 27 PRO CB C 26 31.961 31.961 32.206 -0.245 17879 8679 1 14 . 1 1 28 28 ASN N N 27 114.596 114.596 117.041 -2.445 17879 8680 1 14 . 1 1 28 28 ASN HA H 27 4.725 4.725 4.884 -0.159 17879 8681 1 14 . 1 1 28 28 ASN C C 27 174.678 174.678 174.148 0.530 17879 8682 1 14 . 1 1 28 28 ASN CA C 27 52.868 52.868 52.447 0.421 17879 8683 1 14 . 1 1 28 28 ASN CB C 27 38.331 38.331 38.229 0.102 17879 8684 1 14 . 1 1 28 28 ASN H H 27 8.537 8.537 8.510 0.027 17879 8685 1 14 . 1 1 29 29 ARG N N 28 116.946 116.946 119.662 -2.716 17879 8686 1 14 . 1 1 29 29 ARG HA H 28 4.769 4.769 4.583 0.186 17879 8687 1 14 . 1 1 29 29 ARG C C 28 174.469 174.469 174.202 0.267 17879 8688 1 14 . 1 1 29 29 ARG CA C 28 52.948 52.948 54.292 -1.344 17879 8689 1 14 . 1 1 29 29 ARG CB C 28 32.941 32.941 33.755 -0.814 17879 8690 1 14 . 1 1 29 29 ARG H H 28 7.580 7.580 7.543 0.037 17879 8691 1 14 . 1 1 30 30 ILE N N 29 121.854 121.854 120.550 1.304 17879 8692 1 14 . 1 1 30 30 ILE HA H 29 4.098 4.098 4.012 0.086 17879 8693 1 14 . 1 1 30 30 ILE CA C 29 55.558 55.558 57.367 -1.809 17879 8694 1 14 . 1 1 30 30 ILE CB C 29 38.805 38.805 40.001 -1.196 17879 8695 1 14 . 1 1 30 30 ILE H H 29 9.262 9.262 8.632 0.630 17879 8696 1 14 . 1 1 31 31 PRO HA H 30 4.856 4.856 4.626 0.230 17879 8697 1 14 . 1 1 31 31 PRO C C 30 174.121 174.121 176.473 -2.352 17879 8698 1 14 . 1 1 31 31 PRO CA C 30 61.705 61.705 62.373 -0.668 17879 8699 1 14 . 1 1 31 31 PRO CB C 30 30.966 30.966 31.254 -0.288 17879 8700 1 14 . 1 1 32 32 VAL N N 31 127.197 127.197 119.669 7.528 17879 8701 1 14 . 1 1 32 32 VAL HA H 31 4.997 4.997 4.841 0.156 17879 8702 1 14 . 1 1 32 32 VAL C C 31 174.181 174.181 174.036 0.145 17879 8703 1 14 . 1 1 32 32 VAL CA C 31 60.620 60.620 59.057 1.563 17879 8704 1 14 . 1 1 32 32 VAL CB C 31 35.645 35.645 35.981 -0.336 17879 8705 1 14 . 1 1 32 32 VAL H H 31 9.096 9.096 8.977 0.119 17879 8706 1 14 . 1 1 33 33 ILE N N 32 127.157 127.157 120.672 6.485 17879 8707 1 14 . 1 1 33 33 ILE HA H 32 4.917 4.917 4.539 0.378 17879 8708 1 14 . 1 1 33 33 ILE C C 32 174.991 174.991 175.335 -0.344 17879 8709 1 14 . 1 1 33 33 ILE CA C 32 56.589 56.589 59.662 -3.073 17879 8710 1 14 . 1 1 33 33 ILE CB C 32 35.908 35.908 38.738 -2.830 17879 8711 1 14 . 1 1 33 33 ILE H H 32 8.775 8.775 7.696 1.079 17879 8712 1 14 . 1 1 34 34 CYS N N 33 129.280 129.280 128.645 0.635 17879 8713 1 14 . 1 1 34 34 CYS HA H 33 5.559 5.559 4.438 1.121 17879 8714 1 14 . 1 1 34 34 CYS C C 33 173.218 173.218 173.938 -0.720 17879 8715 1 14 . 1 1 34 34 CYS CA C 33 57.121 57.121 60.172 -3.051 17879 8716 1 14 . 1 1 34 34 CYS CB C 33 28.880 28.880 28.295 0.585 17879 8717 1 14 . 1 1 34 34 CYS H H 33 9.738 9.738 9.301 0.437 17879 8718 1 14 . 1 1 35 35 GLU N N 34 124.130 124.130 128.481 -4.351 17879 8719 1 14 . 1 1 35 35 GLU HA H 34 4.977 4.977 4.696 0.281 17879 8720 1 14 . 1 1 35 35 GLU C C 34 174.190 174.190 174.197 -0.007 17879 8721 1 14 . 1 1 35 35 GLU CA C 34 54.308 54.308 54.663 -0.355 17879 8722 1 14 . 1 1 35 35 GLU CB C 34 35.281 35.281 33.403 1.878 17879 8723 1 14 . 1 1 35 35 GLU H H 34 8.531 8.531 8.592 -0.061 17879 8724 1 14 . 1 1 36 36 LYS N N 35 123.562 123.562 124.498 -0.936 17879 8725 1 14 . 1 1 36 36 LYS HA H 35 3.056 3.056 4.234 -1.178 17879 8726 1 14 . 1 1 36 36 LYS C C 35 177.452 177.452 175.931 1.521 17879 8727 1 14 . 1 1 36 36 LYS CA C 35 56.374 56.374 53.599 2.775 17879 8728 1 14 . 1 1 36 36 LYS CB C 35 32.750 32.750 33.535 -0.785 17879 8729 1 14 . 1 1 36 36 LYS H H 35 8.949 8.949 8.526 0.423 17879 8730 1 14 . 1 1 37 37 ALA N N 36 129.494 129.494 129.806 -0.312 17879 8731 1 14 . 1 1 37 37 ALA HA H 36 4.163 4.163 4.129 0.034 17879 8732 1 14 . 1 1 37 37 ALA C C 36 178.375 178.375 177.288 1.087 17879 8733 1 14 . 1 1 37 37 ALA CA C 36 52.702 52.702 53.036 -0.334 17879 8734 1 14 . 1 1 37 37 ALA CB C 36 18.673 18.673 19.315 -0.642 17879 8735 1 14 . 1 1 37 37 ALA H H 36 8.561 8.561 7.852 0.709 17879 8736 1 14 . 1 1 38 38 GLU N N 37 125.115 125.115 119.266 5.849 17879 8737 1 14 . 1 1 38 38 GLU HA H 37 3.959 3.959 4.192 -0.233 17879 8738 1 14 . 1 1 38 38 GLU C C 37 177.516 177.516 177.228 0.288 17879 8739 1 14 . 1 1 38 38 GLU CA C 37 59.302 59.302 57.814 1.488 17879 8740 1 14 . 1 1 38 38 GLU CB C 37 30.154 30.154 29.733 0.421 17879 8741 1 14 . 1 1 38 38 GLU H H 37 8.648 8.648 8.474 0.174 17879 8742 1 14 . 1 1 39 39 LYS N N 38 115.020 115.020 119.638 -4.618 17879 8743 1 14 . 1 1 39 39 LYS HA H 38 4.188 4.188 4.094 0.094 17879 8744 1 14 . 1 1 39 39 LYS C C 38 176.244 176.244 177.626 -1.382 17879 8745 1 14 . 1 1 39 39 LYS CA C 38 56.564 56.564 57.613 -1.049 17879 8746 1 14 . 1 1 39 39 LYS CB C 38 31.484 31.484 32.084 -0.600 17879 8747 1 14 . 1 1 39 39 LYS H H 38 8.494 8.494 8.047 0.447 17879 8748 1 14 . 1 1 40 40 SER N N 39 113.091 113.091 114.517 -1.426 17879 8749 1 14 . 1 1 40 40 SER HA H 39 4.535 4.535 4.647 -0.112 17879 8750 1 14 . 1 1 40 40 SER C C 39 174.896 174.896 174.239 0.657 17879 8751 1 14 . 1 1 40 40 SER CA C 39 57.985 57.985 58.434 -0.449 17879 8752 1 14 . 1 1 40 40 SER CB C 39 65.000 65.000 64.016 0.984 17879 8753 1 14 . 1 1 40 40 SER H H 39 7.346 7.346 7.715 -0.369 17879 8754 1 14 . 1 1 41 41 ASP N N 40 127.375 127.375 122.267 5.108 17879 8755 1 14 . 1 1 41 41 ASP HA H 40 4.782 4.782 4.848 -0.066 17879 8756 1 14 . 1 1 41 41 ASP C C 40 175.205 175.205 176.242 -1.037 17879 8757 1 14 . 1 1 41 41 ASP CA C 40 53.549 53.549 53.045 0.504 17879 8758 1 14 . 1 1 41 41 ASP CB C 40 39.916 39.916 41.645 -1.729 17879 8759 1 14 . 1 1 41 41 ASP H H 40 8.744 8.744 8.412 0.332 17879 8760 1 14 . 1 1 42 42 ILE N N 41 122.943 122.943 118.830 4.113 17879 8761 1 14 . 1 1 42 42 ILE HA H 41 4.661 4.661 4.635 0.026 17879 8762 1 14 . 1 1 42 42 ILE CA C 41 59.133 59.133 58.606 0.527 17879 8763 1 14 . 1 1 42 42 ILE CB C 41 40.534 40.534 38.418 2.116 17879 8764 1 14 . 1 1 42 42 ILE H H 41 7.649 7.649 7.840 -0.191 17879 8765 1 14 . 1 1 43 43 PRO HA H 42 4.414 4.414 4.615 -0.201 17879 8766 1 14 . 1 1 43 43 PRO C C 42 175.952 175.952 176.548 -0.596 17879 8767 1 14 . 1 1 43 43 PRO CA C 42 63.829 63.829 62.392 1.437 17879 8768 1 14 . 1 1 43 43 PRO CB C 42 32.895 32.895 32.407 0.488 17879 8769 1 14 . 1 1 44 44 GLU N N 43 120.369 120.369 124.356 -3.987 17879 8770 1 14 . 1 1 44 44 GLU HA H 43 4.298 4.298 4.216 0.082 17879 8771 1 14 . 1 1 44 44 GLU C C 43 175.316 175.316 176.659 -1.343 17879 8772 1 14 . 1 1 44 44 GLU CA C 43 56.400 56.400 56.630 -0.230 17879 8773 1 14 . 1 1 44 44 GLU CB C 43 31.282 31.282 30.429 0.853 17879 8774 1 14 . 1 1 44 44 GLU H H 43 8.393 8.393 8.505 -0.112 17879 8775 1 14 . 1 1 45 45 ILE N N 44 123.670 123.670 125.965 -2.295 17879 8776 1 14 . 1 1 45 45 ILE HA H 44 4.419 4.419 4.154 0.265 17879 8777 1 14 . 1 1 45 45 ILE C C 44 174.786 174.786 176.424 -1.638 17879 8778 1 14 . 1 1 45 45 ILE CA C 44 61.027 61.027 61.476 -0.449 17879 8779 1 14 . 1 1 45 45 ILE CB C 44 40.509 40.509 39.550 0.959 17879 8780 1 14 . 1 1 45 45 ILE H H 44 8.067 8.067 8.175 -0.108 17879 8781 1 14 . 1 1 46 46 ASP N N 45 123.340 123.340 122.022 1.318 17879 8782 1 14 . 1 1 46 46 ASP HA H 45 4.412 4.412 4.482 -0.070 17879 8783 1 14 . 1 1 46 46 ASP C C 45 175.494 175.494 175.420 0.074 17879 8784 1 14 . 1 1 46 46 ASP CA C 45 55.467 55.467 57.437 -1.970 17879 8785 1 14 . 1 1 46 46 ASP CB C 45 40.320 40.320 41.387 -1.067 17879 8786 1 14 . 1 1 46 46 ASP H H 45 8.468 8.468 8.982 -0.514 17879 8787 1 14 . 1 1 47 47 LYS N N 46 121.295 121.295 113.077 8.218 17879 8788 1 14 . 1 1 47 47 LYS HA H 46 4.428 4.428 4.830 -0.402 17879 8789 1 14 . 1 1 47 47 LYS CA C 46 56.020 56.020 54.430 1.590 17879 8790 1 14 . 1 1 47 47 LYS CB C 46 34.644 34.644 35.459 -0.815 17879 8791 1 14 . 1 1 47 47 LYS H H 46 7.319 7.319 7.507 -0.188 17879 8792 1 14 . 1 1 48 48 ARG N N 47 124.949 124.949 120.718 4.231 17879 8793 1 14 . 1 1 48 48 ARG HA H 47 5.271 5.271 4.821 0.450 17879 8794 1 14 . 1 1 48 48 ARG C C 47 173.546 173.546 175.045 -1.499 17879 8795 1 14 . 1 1 48 48 ARG CA C 47 55.581 55.581 55.481 0.100 17879 8796 1 14 . 1 1 48 48 ARG CB C 47 32.992 32.992 30.525 2.467 17879 8797 1 14 . 1 1 48 48 ARG H H 47 8.558 8.558 8.372 0.186 17879 8798 1 14 . 1 1 49 49 LYS N N 48 122.812 122.812 124.105 -1.293 17879 8799 1 14 . 1 1 49 49 LYS HA H 48 5.030 5.030 4.485 0.545 17879 8800 1 14 . 1 1 49 49 LYS C C 48 174.301 174.301 174.481 -0.180 17879 8801 1 14 . 1 1 49 49 LYS CA C 48 55.042 55.042 55.599 -0.557 17879 8802 1 14 . 1 1 49 49 LYS CB C 48 34.065 34.065 33.922 0.143 17879 8803 1 14 . 1 1 49 49 LYS H H 48 7.440 7.440 8.120 -0.680 17879 8804 1 14 . 1 1 50 50 TYR N N 49 124.842 124.842 124.566 0.276 17879 8805 1 14 . 1 1 50 50 TYR HA H 49 4.721 4.721 4.595 0.126 17879 8806 1 14 . 1 1 50 50 TYR C C 49 173.674 173.674 174.197 -0.523 17879 8807 1 14 . 1 1 50 50 TYR CA C 49 57.192 57.192 57.324 -0.132 17879 8808 1 14 . 1 1 50 50 TYR CB C 49 43.123 43.123 42.073 1.050 17879 8809 1 14 . 1 1 50 50 TYR H H 49 9.590 9.590 8.979 0.611 17879 8810 1 14 . 1 1 51 51 LEU N N 50 124.138 124.138 126.426 -2.288 17879 8811 1 14 . 1 1 51 51 LEU HA H 50 4.753 4.753 4.569 0.184 17879 8812 1 14 . 1 1 51 51 LEU C C 50 176.050 176.050 176.341 -0.291 17879 8813 1 14 . 1 1 51 51 LEU CA C 50 53.158 53.158 53.221 -0.063 17879 8814 1 14 . 1 1 51 51 LEU CB C 50 41.155 41.155 41.042 0.113 17879 8815 1 14 . 1 1 51 51 LEU H H 50 8.901 8.901 8.630 0.271 17879 8816 1 14 . 1 1 52 52 VAL N N 51 123.181 123.181 120.428 2.753 17879 8817 1 14 . 1 1 52 52 VAL HA H 51 3.948 3.948 4.596 -0.648 17879 8818 1 14 . 1 1 52 52 VAL CA C 51 59.724 59.724 59.158 0.566 17879 8819 1 14 . 1 1 52 52 VAL CB C 51 33.605 33.605 32.097 1.508 17879 8820 1 14 . 1 1 52 52 VAL H H 51 8.513 8.513 7.966 0.547 17879 8821 1 14 . 1 1 53 53 PRO HA H 52 4.305 4.305 4.361 -0.056 17879 8822 1 14 . 1 1 53 53 PRO C C 52 176.607 176.607 175.984 0.623 17879 8823 1 14 . 1 1 53 53 PRO CA C 52 63.950 63.950 61.921 2.029 17879 8824 1 14 . 1 1 53 53 PRO CB C 52 32.163 32.163 32.426 -0.263 17879 8825 1 14 . 1 1 54 54 ALA N N 53 123.771 123.771 119.862 3.909 17879 8826 1 14 . 1 1 54 54 ALA HA H 53 3.720 3.720 4.187 -0.467 17879 8827 1 14 . 1 1 54 54 ALA C C 53 176.409 176.409 176.804 -0.395 17879 8828 1 14 . 1 1 54 54 ALA CA C 53 54.742 54.742 52.788 1.954 17879 8829 1 14 . 1 1 54 54 ALA CB C 53 18.948 18.948 19.360 -0.412 17879 8830 1 14 . 1 1 54 54 ALA H H 53 7.926 7.926 8.567 -0.641 17879 8831 1 14 . 1 1 55 55 ASP N N 54 111.152 111.152 118.032 -6.880 17879 8832 1 14 . 1 1 55 55 ASP HA H 54 4.621 4.621 4.610 0.011 17879 8833 1 14 . 1 1 55 55 ASP C C 54 175.823 175.823 176.265 -0.442 17879 8834 1 14 . 1 1 55 55 ASP CA C 54 52.744 52.744 54.451 -1.707 17879 8835 1 14 . 1 1 55 55 ASP CB C 54 39.861 39.861 41.718 -1.857 17879 8836 1 14 . 1 1 55 55 ASP H H 54 8.106 8.106 8.113 -0.007 17879 8837 1 14 . 1 1 56 56 LEU N N 55 121.263 121.263 123.065 -1.802 17879 8838 1 14 . 1 1 56 56 LEU HA H 55 4.351 4.351 4.381 -0.030 17879 8839 1 14 . 1 1 56 56 LEU C C 55 177.459 177.459 177.020 0.439 17879 8840 1 14 . 1 1 56 56 LEU CA C 55 55.472 55.472 55.586 -0.113 17879 8841 1 14 . 1 1 56 56 LEU CB C 55 43.593 43.593 43.030 0.563 17879 8842 1 14 . 1 1 56 56 LEU H H 55 7.295 7.295 7.889 -0.594 17879 8843 1 14 . 1 1 57 57 THR N N 56 114.222 114.222 116.022 -1.800 17879 8844 1 14 . 1 1 57 57 THR HA H 56 5.233 5.233 4.565 0.668 17879 8845 1 14 . 1 1 57 57 THR C C 56 176.538 176.538 175.617 0.921 17879 8846 1 14 . 1 1 57 57 THR CA C 56 60.318 60.318 60.127 0.191 17879 8847 1 14 . 1 1 57 57 THR CB C 56 71.303 71.303 70.746 0.557 17879 8848 1 14 . 1 1 57 57 THR H H 56 8.476 8.476 8.381 0.095 17879 8849 1 14 . 1 1 58 58 VAL N N 57 122.331 122.331 120.533 1.798 17879 8850 1 14 . 1 1 58 58 VAL HA H 57 3.738 3.738 3.915 -0.177 17879 8851 1 14 . 1 1 58 58 VAL C C 57 178.743 178.743 177.685 1.058 17879 8852 1 14 . 1 1 58 58 VAL CA C 57 66.797 66.797 65.859 0.938 17879 8853 1 14 . 1 1 58 58 VAL CB C 57 31.801 31.801 31.718 0.083 17879 8854 1 14 . 1 1 58 58 VAL H H 57 8.806 8.806 8.249 0.557 17879 8855 1 14 . 1 1 59 59 GLY N N 58 105.470 105.470 103.961 1.509 17879 8856 1 14 . 1 1 59 59 GLY C C 58 176.924 176.924 174.776 2.148 17879 8857 1 14 . 1 1 59 59 GLY CA C 58 47.317 47.317 45.979 1.338 17879 8858 1 14 . 1 1 59 59 GLY H H 58 9.381 9.381 7.732 1.649 17879 8859 1 14 . 1 1 60 60 GLN N N 59 121.492 121.492 118.418 3.074 17879 8860 1 14 . 1 1 60 60 GLN HA H 59 4.166 4.166 4.474 -0.308 17879 8861 1 14 . 1 1 60 60 GLN C C 59 178.605 178.605 177.469 1.136 17879 8862 1 14 . 1 1 60 60 GLN CA C 59 58.764 58.764 57.019 1.745 17879 8863 1 14 . 1 1 60 60 GLN CB C 59 29.129 29.129 29.599 -0.471 17879 8864 1 14 . 1 1 60 60 GLN H H 59 8.027 8.027 7.609 0.418 17879 8865 1 14 . 1 1 61 61 PHE N N 60 122.595 122.595 122.039 0.556 17879 8866 1 14 . 1 1 61 61 PHE HA H 60 4.291 4.291 4.320 -0.029 17879 8867 1 14 . 1 1 61 61 PHE C C 60 176.690 176.690 176.662 0.028 17879 8868 1 14 . 1 1 61 61 PHE CA C 60 61.502 61.502 60.717 0.785 17879 8869 1 14 . 1 1 61 61 PHE CB C 60 39.155 39.155 39.456 -0.302 17879 8870 1 14 . 1 1 61 61 PHE H H 60 8.522 8.522 7.885 0.637 17879 8871 1 14 . 1 1 62 62 VAL N N 61 118.720 118.720 118.498 0.222 17879 8872 1 14 . 1 1 62 62 VAL HA H 61 3.070 3.070 3.265 -0.195 17879 8873 1 14 . 1 1 62 62 VAL C C 61 176.872 176.872 177.264 -0.392 17879 8874 1 14 . 1 1 62 62 VAL CA C 61 67.040 67.040 66.772 0.268 17879 8875 1 14 . 1 1 62 62 VAL CB C 61 31.119 31.119 31.252 -0.133 17879 8876 1 14 . 1 1 62 62 VAL H H 61 8.705 8.705 7.758 0.947 17879 8877 1 14 . 1 1 63 63 TYR N N 62 118.462 118.462 119.543 -1.081 17879 8878 1 14 . 1 1 63 63 TYR HA H 62 3.987 3.987 4.052 -0.065 17879 8879 1 14 . 1 1 63 63 TYR C C 62 177.325 177.325 176.859 0.466 17879 8880 1 14 . 1 1 63 63 TYR CA C 62 61.685 61.685 60.827 0.858 17879 8881 1 14 . 1 1 63 63 TYR CB C 62 37.906 37.906 37.639 0.266 17879 8882 1 14 . 1 1 63 63 TYR H H 62 7.373 7.373 7.921 -0.548 17879 8883 1 14 . 1 1 64 64 VAL N N 63 119.137 119.137 118.966 0.171 17879 8884 1 14 . 1 1 64 64 VAL HA H 63 3.342 3.342 2.785 0.557 17879 8885 1 14 . 1 1 64 64 VAL C C 63 178.326 178.326 177.867 0.459 17879 8886 1 14 . 1 1 64 64 VAL CA C 63 66.615 66.615 65.815 0.800 17879 8887 1 14 . 1 1 64 64 VAL CB C 63 31.157 31.157 31.181 -0.024 17879 8888 1 14 . 1 1 64 64 VAL H H 63 7.376 7.376 7.423 -0.047 17879 8889 1 14 . 1 1 65 65 ILE N N 64 118.858 118.858 119.864 -1.006 17879 8890 1 14 . 1 1 65 65 ILE HA H 64 3.279 3.279 3.458 -0.179 17879 8891 1 14 . 1 1 65 65 ILE C C 64 177.653 177.653 178.262 -0.609 17879 8892 1 14 . 1 1 65 65 ILE CA C 64 63.682 63.682 62.466 1.216 17879 8893 1 14 . 1 1 65 65 ILE CB C 64 36.150 36.150 35.686 0.464 17879 8894 1 14 . 1 1 65 65 ILE H H 64 7.366 7.366 7.668 -0.302 17879 8895 1 14 . 1 1 66 66 ARG N N 65 118.729 118.729 119.677 -0.948 17879 8896 1 14 . 1 1 66 66 ARG HA H 65 3.397 3.397 3.832 -0.435 17879 8897 1 14 . 1 1 66 66 ARG C C 65 178.284 178.284 178.556 -0.272 17879 8898 1 14 . 1 1 66 66 ARG CA C 65 60.078 60.078 59.174 0.904 17879 8899 1 14 . 1 1 66 66 ARG CB C 65 30.022 30.022 29.865 0.157 17879 8900 1 14 . 1 1 66 66 ARG H H 65 8.463 8.463 8.248 0.215 17879 8901 1 14 . 1 1 67 67 LYS N N 66 116.643 116.643 119.331 -2.688 17879 8902 1 14 . 1 1 67 67 LYS HA H 66 3.951 3.951 4.027 -0.076 17879 8903 1 14 . 1 1 67 67 LYS C C 66 178.989 178.989 178.693 0.296 17879 8904 1 14 . 1 1 67 67 LYS CA C 66 58.347 58.347 58.873 -0.527 17879 8905 1 14 . 1 1 67 67 LYS CB C 66 31.938 31.938 31.697 0.241 17879 8906 1 14 . 1 1 67 67 LYS H H 66 7.536 7.536 7.735 -0.199 17879 8907 1 14 . 1 1 68 68 ARG N N 67 119.051 119.051 119.085 -0.034 17879 8908 1 14 . 1 1 68 68 ARG HA H 67 4.104 4.104 4.030 0.074 17879 8909 1 14 . 1 1 68 68 ARG C C 67 178.122 178.122 178.583 -0.461 17879 8910 1 14 . 1 1 68 68 ARG CA C 67 58.182 58.182 58.637 -0.455 17879 8911 1 14 . 1 1 68 68 ARG CB C 67 30.273 30.273 30.301 -0.028 17879 8912 1 14 . 1 1 68 68 ARG H H 67 7.783 7.783 7.792 -0.009 17879 8913 1 14 . 1 1 69 69 ILE N N 68 112.456 112.456 112.979 -0.523 17879 8914 1 14 . 1 1 69 69 ILE HA H 68 4.223 4.223 4.012 0.211 17879 8915 1 14 . 1 1 69 69 ILE C C 68 174.568 174.568 175.527 -0.959 17879 8916 1 14 . 1 1 69 69 ILE CA C 68 61.502 61.502 61.722 -0.220 17879 8917 1 14 . 1 1 69 69 ILE CB C 68 38.643 38.643 37.856 0.787 17879 8918 1 14 . 1 1 69 69 ILE H H 68 7.675 7.675 7.377 0.298 17879 8919 1 14 . 1 1 70 70 MET N N 69 118.509 118.509 113.086 5.423 17879 8920 1 14 . 1 1 70 70 MET HA H 69 3.982 3.982 4.039 -0.057 17879 8921 1 14 . 1 1 70 70 MET C C 69 175.482 175.482 175.016 0.466 17879 8922 1 14 . 1 1 70 70 MET CA C 69 55.811 55.811 55.989 -0.178 17879 8923 1 14 . 1 1 70 70 MET CB C 69 29.392 29.392 29.957 -0.565 17879 8924 1 14 . 1 1 70 70 MET H H 69 7.805 7.805 7.544 0.261 17879 8925 1 14 . 1 1 71 71 LEU N N 70 121.952 121.952 122.243 -0.291 17879 8926 1 14 . 1 1 71 71 LEU HA H 70 4.603 4.603 4.500 0.103 17879 8927 1 14 . 1 1 71 71 LEU CA C 70 52.560 52.560 53.390 -0.830 17879 8928 1 14 . 1 1 71 71 LEU CB C 70 44.045 44.045 42.238 1.807 17879 8929 1 14 . 1 1 71 71 LEU H H 70 7.493 7.493 7.732 -0.239 17879 8930 1 14 . 1 1 72 72 PRO HA H 71 4.678 4.678 4.820 -0.142 17879 8931 1 14 . 1 1 72 72 PRO CA C 71 62.124 62.124 61.224 0.900 17879 8932 1 14 . 1 1 72 72 PRO CB C 71 31.307 31.307 31.011 0.296 17879 8933 1 14 . 1 1 73 73 PRO HA H 72 4.123 4.123 4.385 -0.262 17879 8934 1 14 . 1 1 73 73 PRO C C 72 177.052 177.052 176.620 0.432 17879 8935 1 14 . 1 1 73 73 PRO CA C 72 64.924 64.924 64.180 0.744 17879 8936 1 14 . 1 1 73 73 PRO CB C 72 32.049 32.049 32.082 -0.033 17879 8937 1 14 . 1 1 74 74 GLU N N 73 115.091 115.091 116.265 -1.174 17879 8938 1 14 . 1 1 74 74 GLU HA H 73 4.181 4.181 4.322 -0.141 17879 8939 1 14 . 1 1 74 74 GLU C C 73 176.459 176.459 176.579 -0.120 17879 8940 1 14 . 1 1 74 74 GLU CA C 73 57.774 57.774 56.425 1.349 17879 8941 1 14 . 1 1 74 74 GLU CB C 73 28.321 28.321 29.028 -0.707 17879 8942 1 14 . 1 1 74 74 GLU H H 73 9.065 9.065 8.582 0.483 17879 8943 1 14 . 1 1 75 75 LYS N N 74 121.755 121.755 119.482 2.273 17879 8944 1 14 . 1 1 75 75 LYS HA H 74 4.520 4.520 4.502 0.018 17879 8945 1 14 . 1 1 75 75 LYS C C 74 174.789 174.789 174.901 -0.112 17879 8946 1 14 . 1 1 75 75 LYS CA C 74 54.789 54.789 54.962 -0.173 17879 8947 1 14 . 1 1 75 75 LYS CB C 74 32.882 32.882 35.382 -2.500 17879 8948 1 14 . 1 1 75 75 LYS H H 74 7.797 7.797 7.487 0.310 17879 8949 1 14 . 1 1 76 76 ALA N N 75 127.848 127.848 122.793 5.055 17879 8950 1 14 . 1 1 76 76 ALA HA H 75 4.072 4.072 4.589 -0.517 17879 8951 1 14 . 1 1 76 76 ALA C C 75 175.710 175.710 175.140 0.570 17879 8952 1 14 . 1 1 76 76 ALA CA C 75 52.226 52.226 51.261 0.965 17879 8953 1 14 . 1 1 76 76 ALA CB C 75 20.956 20.956 22.039 -1.083 17879 8954 1 14 . 1 1 76 76 ALA H H 75 8.410 8.410 8.501 -0.091 17879 8955 1 14 . 1 1 77 77 ILE N N 76 114.298 114.298 121.970 -7.672 17879 8956 1 14 . 1 1 77 77 ILE HA H 76 4.593 4.593 5.205 -0.612 17879 8957 1 14 . 1 1 77 77 ILE C C 76 172.379 172.379 174.025 -1.646 17879 8958 1 14 . 1 1 77 77 ILE CA C 76 59.699 59.699 59.823 -0.124 17879 8959 1 14 . 1 1 77 77 ILE CB C 76 41.218 41.218 40.428 0.790 17879 8960 1 14 . 1 1 77 77 ILE H H 76 7.193 7.193 8.160 -0.967 17879 8961 1 14 . 1 1 78 78 PHE N N 77 124.094 124.094 126.970 -2.876 17879 8962 1 14 . 1 1 78 78 PHE HA H 77 4.556 4.556 4.887 -0.331 17879 8963 1 14 . 1 1 78 78 PHE C C 77 174.359 174.359 174.786 -0.427 17879 8964 1 14 . 1 1 78 78 PHE CA C 77 56.596 56.596 56.414 0.182 17879 8965 1 14 . 1 1 78 78 PHE CB C 77 42.370 42.370 42.344 0.026 17879 8966 1 14 . 1 1 78 78 PHE H H 77 8.931 8.931 9.507 -0.576 17879 8967 1 14 . 1 1 79 79 ILE N N 78 117.724 117.724 120.304 -2.580 17879 8968 1 14 . 1 1 79 79 ILE HA H 78 5.233 5.233 4.660 0.573 17879 8969 1 14 . 1 1 79 79 ILE C C 78 173.334 173.334 175.367 -2.033 17879 8970 1 14 . 1 1 79 79 ILE CA C 78 58.130 58.130 61.001 -2.871 17879 8971 1 14 . 1 1 79 79 ILE CB C 78 39.360 39.360 39.005 0.354 17879 8972 1 14 . 1 1 79 79 ILE H H 78 8.025 8.025 8.774 -0.749 17879 8973 1 14 . 1 1 80 80 PHE N N 79 121.084 121.084 122.002 -0.918 17879 8974 1 14 . 1 1 80 80 PHE HA H 79 5.365 5.365 4.989 0.376 17879 8975 1 14 . 1 1 80 80 PHE C C 79 176.270 176.270 174.079 2.191 17879 8976 1 14 . 1 1 80 80 PHE CA C 79 55.948 55.948 57.404 -1.456 17879 8977 1 14 . 1 1 80 80 PHE CB C 79 42.763 42.763 43.316 -0.553 17879 8978 1 14 . 1 1 80 80 PHE H H 79 9.210 9.210 8.861 0.349 17879 8979 1 14 . 1 1 81 81 VAL N N 80 117.974 117.974 122.147 -4.173 17879 8980 1 14 . 1 1 81 81 VAL HA H 80 4.520 4.520 4.563 -0.043 17879 8981 1 14 . 1 1 81 81 VAL C C 80 175.699 175.699 175.410 0.289 17879 8982 1 14 . 1 1 81 81 VAL CA C 80 60.484 60.484 61.466 -0.982 17879 8983 1 14 . 1 1 81 81 VAL CB C 80 34.263 34.263 33.834 0.429 17879 8984 1 14 . 1 1 81 81 VAL H H 80 8.832 8.832 9.119 -0.287 17879 8985 1 14 . 1 1 82 82 ASN N N 81 127.615 127.615 125.544 2.071 17879 8986 1 14 . 1 1 82 82 ASN HA H 81 4.339 4.339 4.322 0.017 17879 8987 1 14 . 1 1 82 82 ASN C C 81 174.036 174.036 174.633 -0.597 17879 8988 1 14 . 1 1 82 82 ASN CA C 81 55.231 55.231 54.648 0.583 17879 8989 1 14 . 1 1 82 82 ASN CB C 81 37.408 37.408 37.208 0.200 17879 8990 1 14 . 1 1 82 82 ASN H H 81 9.689 9.689 9.262 0.427 17879 8991 1 14 . 1 1 83 83 ASP N N 82 112.699 112.699 111.300 1.399 17879 8992 1 14 . 1 1 83 83 ASP HA H 82 4.135 4.135 4.373 -0.238 17879 8993 1 14 . 1 1 83 83 ASP C C 82 174.560 174.560 175.113 -0.553 17879 8994 1 14 . 1 1 83 83 ASP CA C 82 55.638 55.638 55.128 0.510 17879 8995 1 14 . 1 1 83 83 ASP CB C 82 39.564 39.564 39.165 0.399 17879 8996 1 14 . 1 1 83 83 ASP H H 82 8.772 8.772 8.466 0.306 17879 8997 1 14 . 1 1 84 84 THR N N 83 112.567 112.567 115.072 -2.505 17879 8998 1 14 . 1 1 84 84 THR HA H 83 4.715 4.715 4.639 0.076 17879 8999 1 14 . 1 1 84 84 THR C C 83 172.200 172.200 173.105 -0.905 17879 9000 1 14 . 1 1 84 84 THR CA C 83 60.868 60.868 61.286 -0.418 17879 9001 1 14 . 1 1 84 84 THR CB C 83 72.206 72.206 71.209 0.997 17879 9002 1 14 . 1 1 84 84 THR H H 83 8.080 8.080 7.727 0.353 17879 9003 1 14 . 1 1 85 85 LEU N N 84 125.810 125.810 129.410 -3.600 17879 9004 1 14 . 1 1 85 85 LEU HA H 84 5.127 5.127 4.746 0.381 17879 9005 1 14 . 1 1 85 85 LEU CA C 84 51.927 51.927 51.897 0.030 17879 9006 1 14 . 1 1 85 85 LEU CB C 84 42.779 42.779 42.864 -0.084 17879 9007 1 14 . 1 1 85 85 LEU H H 84 8.520 8.520 8.615 -0.095 17879 9008 1 14 . 1 1 86 86 PRO HA H 85 4.835 4.835 4.763 0.072 17879 9009 1 14 . 1 1 86 86 PRO CA C 85 60.910 60.910 61.209 -0.299 17879 9010 1 14 . 1 1 86 86 PRO CB C 85 30.852 30.852 31.199 -0.347 17879 9011 1 14 . 1 1 87 87 PRO HA H 86 4.577 4.577 4.567 0.010 17879 9012 1 14 . 1 1 87 87 PRO C C 86 177.830 177.830 176.594 1.236 17879 9013 1 14 . 1 1 87 87 PRO CA C 86 62.424 62.424 62.713 -0.289 17879 9014 1 14 . 1 1 87 87 PRO CB C 86 31.910 31.910 32.145 -0.235 17879 9015 1 14 . 1 1 88 88 THR N N 87 114.642 114.642 108.608 6.034 17879 9016 1 14 . 1 1 88 88 THR HA H 87 3.802 3.802 4.390 -0.588 17879 9017 1 14 . 1 1 88 88 THR C C 87 175.702 175.702 175.702 0.000 17879 9018 1 14 . 1 1 88 88 THR CA C 87 65.079 65.079 64.219 0.860 17879 9019 1 14 . 1 1 88 88 THR CB C 87 68.818 68.818 68.854 -0.036 17879 9020 1 14 . 1 1 88 88 THR H H 87 8.291 8.291 7.936 0.355 17879 9021 1 14 . 1 1 89 89 ALA N N 88 119.706 119.706 123.498 -3.792 17879 9022 1 14 . 1 1 89 89 ALA HA H 88 4.420 4.420 4.259 0.161 17879 9023 1 14 . 1 1 89 89 ALA C C 88 177.690 177.690 178.172 -0.482 17879 9024 1 14 . 1 1 89 89 ALA CA C 88 52.118 52.118 52.709 -0.591 17879 9025 1 14 . 1 1 89 89 ALA CB C 88 19.334 19.334 17.476 1.858 17879 9026 1 14 . 1 1 89 89 ALA H H 88 8.031 8.031 8.154 -0.123 17879 9027 1 14 . 1 1 90 90 ALA N N 89 120.388 120.388 122.631 -2.243 17879 9028 1 14 . 1 1 90 90 ALA HA H 89 4.179 4.179 4.268 -0.089 17879 9029 1 14 . 1 1 90 90 ALA C C 89 176.520 176.520 176.502 0.018 17879 9030 1 14 . 1 1 90 90 ALA CA C 89 52.454 52.454 51.066 1.388 17879 9031 1 14 . 1 1 90 90 ALA CB C 89 19.301 19.301 16.880 2.421 17879 9032 1 14 . 1 1 90 90 ALA H H 89 7.465 7.465 8.186 -0.721 17879 9033 1 14 . 1 1 91 91 LEU N N 90 119.307 119.307 121.146 -1.839 17879 9034 1 14 . 1 1 91 91 LEU HA H 90 4.490 4.490 3.895 0.595 17879 9035 1 14 . 1 1 91 91 LEU C C 90 179.555 179.555 178.312 1.243 17879 9036 1 14 . 1 1 91 91 LEU CA C 90 54.578 54.578 55.959 -1.381 17879 9037 1 14 . 1 1 91 91 LEU CB C 90 42.689 42.689 41.361 1.328 17879 9038 1 14 . 1 1 91 91 LEU H H 90 8.458 8.458 8.490 -0.032 17879 9039 1 14 . 1 1 92 92 MET N N 91 121.586 121.586 122.767 -1.181 17879 9040 1 14 . 1 1 92 92 MET HA H 91 4.231 4.231 3.969 0.262 17879 9041 1 14 . 1 1 92 92 MET C C 91 178.860 178.860 178.512 0.348 17879 9042 1 14 . 1 1 92 92 MET CA C 91 56.938 56.938 58.284 -1.346 17879 9043 1 14 . 1 1 92 92 MET CB C 91 29.372 29.372 30.954 -1.583 17879 9044 1 14 . 1 1 92 92 MET H H 91 9.203 9.203 8.464 0.739 17879 9045 1 14 . 1 1 93 93 SER N N 92 112.826 112.826 115.299 -2.473 17879 9046 1 14 . 1 1 93 93 SER HA H 92 3.978 3.978 4.131 -0.153 17879 9047 1 14 . 1 1 93 93 SER C C 92 176.318 176.318 176.345 -0.027 17879 9048 1 14 . 1 1 93 93 SER CA C 92 60.871 60.871 61.054 -0.184 17879 9049 1 14 . 1 1 93 93 SER CB C 92 61.575 61.575 62.514 -0.939 17879 9050 1 14 . 1 1 93 93 SER H H 92 8.717 8.717 8.394 0.323 17879 9051 1 14 . 1 1 94 94 ALA N N 93 126.735 126.735 123.362 3.373 17879 9052 1 14 . 1 1 94 94 ALA HA H 93 4.357 4.357 4.194 0.163 17879 9053 1 14 . 1 1 94 94 ALA C C 93 180.789 180.789 178.404 2.385 17879 9054 1 14 . 1 1 94 94 ALA CA C 93 54.841 54.841 54.239 0.602 17879 9055 1 14 . 1 1 94 94 ALA CB C 93 18.603 18.603 18.544 0.059 17879 9056 1 14 . 1 1 94 94 ALA H H 93 7.058 7.058 8.109 -1.051 17879 9057 1 14 . 1 1 95 95 ILE N N 94 118.720 118.720 118.205 0.515 17879 9058 1 14 . 1 1 95 95 ILE HA H 94 4.063 4.063 3.858 0.205 17879 9059 1 14 . 1 1 95 95 ILE C C 94 178.326 178.326 177.044 1.282 17879 9060 1 14 . 1 1 95 95 ILE CA C 94 62.755 62.755 63.110 -0.355 17879 9061 1 14 . 1 1 95 95 ILE CB C 94 36.410 36.410 38.281 -1.871 17879 9062 1 14 . 1 1 95 95 ILE H H 94 7.872 7.872 7.623 0.249 17879 9063 1 14 . 1 1 96 96 TYR N N 95 120.697 120.697 119.777 0.920 17879 9064 1 14 . 1 1 96 96 TYR HA H 95 4.007 4.007 4.211 -0.204 17879 9065 1 14 . 1 1 96 96 TYR C C 95 176.022 176.022 176.252 -0.230 17879 9066 1 14 . 1 1 96 96 TYR CA C 95 62.187 62.187 60.163 2.024 17879 9067 1 14 . 1 1 96 96 TYR CB C 95 39.093 39.093 38.650 0.443 17879 9068 1 14 . 1 1 96 96 TYR H H 95 8.841 8.841 8.596 0.245 17879 9069 1 14 . 1 1 97 97 GLN N N 96 114.982 114.982 117.484 -2.502 17879 9070 1 14 . 1 1 97 97 GLN HA H 96 3.778 3.778 4.343 -0.565 17879 9071 1 14 . 1 1 97 97 GLN C C 96 177.250 177.250 176.310 0.940 17879 9072 1 14 . 1 1 97 97 GLN CA C 96 58.719 58.719 56.507 2.212 17879 9073 1 14 . 1 1 97 97 GLN CB C 96 28.286 28.286 29.088 -0.802 17879 9074 1 14 . 1 1 97 97 GLN H H 96 7.757 7.757 7.832 -0.075 17879 9075 1 14 . 1 1 98 98 GLU N N 97 114.340 114.340 117.638 -3.298 17879 9076 1 14 . 1 1 98 98 GLU HA H 97 4.099 4.099 4.312 -0.213 17879 9077 1 14 . 1 1 98 98 GLU C C 97 178.140 178.140 177.040 1.100 17879 9078 1 14 . 1 1 98 98 GLU CA C 97 57.886 57.886 56.688 1.198 17879 9079 1 14 . 1 1 98 98 GLU CB C 97 31.589 31.589 31.285 0.304 17879 9080 1 14 . 1 1 98 98 GLU H H 97 7.117 7.117 7.761 -0.644 17879 9081 1 14 . 1 1 99 99 HIS N N 98 113.377 113.377 117.410 -4.033 17879 9082 1 14 . 1 1 99 99 HIS HA H 98 4.829 4.829 4.796 0.033 17879 9083 1 14 . 1 1 99 99 HIS C C 98 175.856 175.856 174.228 1.628 17879 9084 1 14 . 1 1 99 99 HIS CA C 98 56.738 56.738 54.247 2.491 17879 9085 1 14 . 1 1 99 99 HIS CB C 98 32.930 32.930 30.487 2.443 17879 9086 1 14 . 1 1 99 99 HIS H H 98 8.247 8.247 7.945 0.302 17879 9087 1 14 . 1 1 100 100 LYS N N 99 120.905 120.905 119.131 1.774 17879 9088 1 14 . 1 1 100 100 LYS HA H 99 3.994 3.994 3.832 0.162 17879 9089 1 14 . 1 1 100 100 LYS C C 99 174.832 174.832 175.525 -0.693 17879 9090 1 14 . 1 1 100 100 LYS CA C 99 57.693 57.693 56.670 1.023 17879 9091 1 14 . 1 1 100 100 LYS CB C 99 31.703 31.703 32.503 -0.800 17879 9092 1 14 . 1 1 100 100 LYS H H 99 8.065 8.065 7.636 0.429 17879 9093 1 14 . 1 1 101 101 ASP N N 100 124.188 124.188 120.332 3.856 17879 9094 1 14 . 1 1 101 101 ASP HA H 100 4.765 4.765 4.894 -0.129 17879 9095 1 14 . 1 1 101 101 ASP C C 100 177.692 177.692 176.333 1.359 17879 9096 1 14 . 1 1 101 101 ASP CA C 100 54.030 54.030 52.374 1.656 17879 9097 1 14 . 1 1 101 101 ASP CB C 100 43.429 43.429 43.658 -0.229 17879 9098 1 14 . 1 1 101 101 ASP H H 100 9.027 9.027 7.886 1.141 17879 9099 1 14 . 1 1 102 102 LYS N N 101 125.898 125.898 119.138 6.760 17879 9100 1 14 . 1 1 102 102 LYS HA H 101 4.239 4.239 4.234 0.005 17879 9101 1 14 . 1 1 102 102 LYS C C 101 178.053 178.053 177.117 0.936 17879 9102 1 14 . 1 1 102 102 LYS CA C 101 59.482 59.482 58.964 0.518 17879 9103 1 14 . 1 1 102 102 LYS CB C 101 32.821 32.821 32.770 0.051 17879 9104 1 14 . 1 1 102 102 LYS H H 101 8.678 8.678 8.895 -0.217 17879 9105 1 14 . 1 1 103 103 ASP N N 102 119.326 119.326 114.133 5.193 17879 9106 1 14 . 1 1 103 103 ASP HA H 102 4.127 4.127 4.435 -0.308 17879 9107 1 14 . 1 1 103 103 ASP C C 102 176.833 176.833 176.890 -0.057 17879 9108 1 14 . 1 1 103 103 ASP CA C 102 54.666 54.666 54.122 0.544 17879 9109 1 14 . 1 1 103 103 ASP CB C 102 39.848 39.848 40.847 -0.999 17879 9110 1 14 . 1 1 103 103 ASP H H 102 10.276 10.276 8.562 1.714 17879 9111 1 14 . 1 1 104 104 GLY N N 103 106.059 106.059 107.470 -1.411 17879 9112 1 14 . 1 1 104 104 GLY C C 103 174.655 174.655 174.441 0.214 17879 9113 1 14 . 1 1 104 104 GLY CA C 103 45.319 45.319 45.465 -0.145 17879 9114 1 14 . 1 1 104 104 GLY H H 103 8.173 8.173 7.967 0.206 17879 9115 1 14 . 1 1 105 105 PHE N N 104 121.781 121.781 121.804 -0.023 17879 9116 1 14 . 1 1 105 105 PHE HA H 104 4.682 4.682 4.446 0.236 17879 9117 1 14 . 1 1 105 105 PHE C C 104 174.830 174.830 176.417 -1.587 17879 9118 1 14 . 1 1 105 105 PHE CA C 104 59.377 59.377 59.209 0.168 17879 9119 1 14 . 1 1 105 105 PHE CB C 104 39.938 39.938 38.902 1.036 17879 9120 1 14 . 1 1 105 105 PHE H H 104 9.600 9.600 7.420 2.180 17879 9121 1 14 . 1 1 106 106 LEU N N 105 119.929 119.929 124.157 -4.228 17879 9122 1 14 . 1 1 106 106 LEU HA H 105 4.897 4.897 4.164 0.733 17879 9123 1 14 . 1 1 106 106 LEU C C 105 173.947 173.947 176.231 -2.284 17879 9124 1 14 . 1 1 106 106 LEU CA C 105 53.463 53.463 55.417 -1.954 17879 9125 1 14 . 1 1 106 106 LEU CB C 105 45.066 45.066 42.636 2.430 17879 9126 1 14 . 1 1 106 106 LEU H H 105 8.376 8.376 8.606 -0.230 17879 9127 1 14 . 1 1 107 107 TYR N N 106 127.637 127.637 123.185 4.452 17879 9128 1 14 . 1 1 107 107 TYR HA H 106 4.992 4.992 4.736 0.256 17879 9129 1 14 . 1 1 107 107 TYR C C 106 176.099 176.099 174.784 1.315 17879 9130 1 14 . 1 1 107 107 TYR CA C 106 58.893 58.893 57.087 1.806 17879 9131 1 14 . 1 1 107 107 TYR CB C 106 38.140 38.140 38.217 -0.077 17879 9132 1 14 . 1 1 107 107 TYR H H 106 9.124 9.124 8.795 0.329 17879 9133 1 14 . 1 1 108 108 VAL N N 107 121.630 121.630 122.066 -0.436 17879 9134 1 14 . 1 1 108 108 VAL HA H 107 5.135 5.135 4.644 0.491 17879 9135 1 14 . 1 1 108 108 VAL C C 107 175.722 175.722 175.188 0.534 17879 9136 1 14 . 1 1 108 108 VAL CA C 107 59.587 59.587 60.227 -0.640 17879 9137 1 14 . 1 1 108 108 VAL CB C 107 34.787 34.787 34.077 0.710 17879 9138 1 14 . 1 1 108 108 VAL H H 107 9.560 9.560 8.134 1.426 17879 9139 1 14 . 1 1 109 109 THR N N 108 119.845 119.845 118.558 1.287 17879 9140 1 14 . 1 1 109 109 THR HA H 108 6.155 6.155 5.235 0.920 17879 9141 1 14 . 1 1 109 109 THR C C 108 174.158 174.158 173.357 0.801 17879 9142 1 14 . 1 1 109 109 THR CA C 108 59.869 59.869 61.910 -2.041 17879 9143 1 14 . 1 1 109 109 THR CB C 108 72.268 72.268 70.898 1.370 17879 9144 1 14 . 1 1 109 109 THR H H 108 9.061 9.061 8.205 0.856 17879 9145 1 14 . 1 1 110 110 TYR N N 109 119.706 119.706 123.953 -4.247 17879 9146 1 14 . 1 1 110 110 TYR HA H 109 6.332 6.332 5.941 0.391 17879 9147 1 14 . 1 1 110 110 TYR C C 109 173.366 173.366 174.075 -0.709 17879 9148 1 14 . 1 1 110 110 TYR CA C 109 54.655 54.655 54.837 -0.182 17879 9149 1 14 . 1 1 110 110 TYR CB C 109 42.250 42.250 40.988 1.262 17879 9150 1 14 . 1 1 110 110 TYR H H 109 8.461 8.461 9.349 -0.888 17879 9151 1 14 . 1 1 111 111 SER N N 110 112.907 112.907 116.749 -3.842 17879 9152 1 14 . 1 1 111 111 SER HA H 110 4.745 4.745 4.934 -0.189 17879 9153 1 14 . 1 1 111 111 SER C C 110 173.692 173.692 175.603 -1.911 17879 9154 1 14 . 1 1 111 111 SER CA C 110 56.044 56.044 55.390 0.654 17879 9155 1 14 . 1 1 111 111 SER CB C 110 66.177 66.177 66.232 -0.055 17879 9156 1 14 . 1 1 111 111 SER H H 110 9.089 9.089 9.223 -0.134 17879 9157 1 14 . 1 1 112 112 GLY N N 111 111.054 111.054 107.659 3.395 17879 9158 1 14 . 1 1 112 112 GLY C C 111 173.331 173.331 174.699 -1.368 17879 9159 1 14 . 1 1 112 112 GLY CA C 111 45.341 45.341 46.109 -0.768 17879 9160 1 14 . 1 1 112 112 GLY H H 111 8.443 8.443 8.849 -0.406 17879 9161 1 14 . 1 1 113 113 GLU N N 112 118.801 118.801 118.890 -0.089 17879 9162 1 14 . 1 1 113 113 GLU HA H 112 4.660 4.660 4.529 0.131 17879 9163 1 14 . 1 1 113 113 GLU C C 112 174.538 174.538 174.962 -0.424 17879 9164 1 14 . 1 1 113 113 GLU CA C 112 55.642 55.642 54.553 1.089 17879 9165 1 14 . 1 1 113 113 GLU CB C 112 32.930 32.930 31.313 1.617 17879 9166 1 14 . 1 1 113 113 GLU H H 112 8.413 8.413 7.603 0.810 17879 9167 1 14 . 1 1 114 114 ASN N N 113 118.152 118.152 116.786 1.366 17879 9168 1 14 . 1 1 114 114 ASN HA H 113 4.187 4.187 4.511 -0.324 17879 9169 1 14 . 1 1 114 114 ASN C C 113 175.011 175.011 174.079 0.932 17879 9170 1 14 . 1 1 114 114 ASN CA C 113 51.910 51.910 52.114 -0.204 17879 9171 1 14 . 1 1 114 114 ASN CB C 113 36.865 36.865 38.242 -1.377 17879 9172 1 14 . 1 1 114 114 ASN H H 113 8.207 8.207 8.619 -0.412 17879 9173 1 14 . 1 1 115 115 THR N N 114 112.887 112.887 114.067 -1.180 17879 9174 1 14 . 1 1 115 115 THR HA H 114 4.190 4.190 4.583 -0.393 17879 9175 1 14 . 1 1 115 115 THR C C 114 173.575 173.575 172.253 1.322 17879 9176 1 14 . 1 1 115 115 THR CA C 114 61.149 61.149 61.208 -0.059 17879 9177 1 14 . 1 1 115 115 THR CB C 114 69.859 69.859 71.020 -1.161 17879 9178 1 14 . 1 1 115 115 THR H H 114 7.411 7.411 7.587 -0.176 17879 9179 1 14 . 1 1 116 116 PHE N N 115 121.474 121.474 119.310 2.164 17879 9180 1 14 . 1 1 116 116 PHE HA H 115 4.451 4.451 4.967 -0.516 17879 9181 1 14 . 1 1 116 116 PHE C C 115 175.078 175.078 175.226 -0.148 17879 9182 1 14 . 1 1 116 116 PHE CA C 115 57.681 57.681 56.024 1.657 17879 9183 1 14 . 1 1 116 116 PHE CB C 115 39.569 39.569 39.011 0.558 17879 9184 1 14 . 1 1 116 116 PHE H H 115 8.021 8.021 7.380 0.641 17879 9185 1 15 . 1 1 2 2 MET N N 1 122.410 122.410 120.264 2.146 17879 9186 1 15 . 1 1 2 2 MET HA H 1 4.455 4.455 4.828 -0.373 17879 9187 1 15 . 1 1 2 2 MET C C 1 175.655 175.655 175.829 -0.174 17879 9188 1 15 . 1 1 2 2 MET CA C 1 55.438 55.438 55.158 0.280 17879 9189 1 15 . 1 1 2 2 MET CB C 1 33.126 33.126 34.074 -0.948 17879 9190 1 15 . 1 1 2 2 MET H H 1 8.425 8.425 8.936 -0.511 17879 9191 1 15 . 1 1 3 3 LYS N N 2 123.656 123.656 118.435 5.221 17879 9192 1 15 . 1 1 3 3 LYS HA H 2 4.326 4.326 4.415 -0.089 17879 9193 1 15 . 1 1 3 3 LYS C C 2 176.266 176.266 176.529 -0.263 17879 9194 1 15 . 1 1 3 3 LYS CA C 2 56.348 56.348 56.292 0.056 17879 9195 1 15 . 1 1 3 3 LYS CB C 2 33.219 33.219 33.797 -0.578 17879 9196 1 15 . 1 1 3 3 LYS H H 2 8.512 8.512 8.377 0.135 17879 9197 1 15 . 1 1 4 4 SER N N 3 118.350 118.350 115.278 3.072 17879 9198 1 15 . 1 1 4 4 SER HA H 3 4.631 4.631 4.473 0.158 17879 9199 1 15 . 1 1 4 4 SER C C 3 175.421 175.421 174.152 1.269 17879 9200 1 15 . 1 1 4 4 SER CA C 3 57.629 57.629 58.527 -0.898 17879 9201 1 15 . 1 1 4 4 SER CB C 3 64.079 64.079 64.401 -0.322 17879 9202 1 15 . 1 1 4 4 SER H H 3 8.426 8.426 8.064 0.362 17879 9203 1 15 . 1 1 5 5 THR N N 4 127.775 127.775 113.129 14.646 17879 9204 1 15 . 1 1 5 5 THR HA H 4 4.482 4.482 4.431 0.051 17879 9205 1 15 . 1 1 5 5 THR C C 4 174.680 174.680 174.906 -0.226 17879 9206 1 15 . 1 1 5 5 THR CA C 4 62.001 62.001 63.138 -1.137 17879 9207 1 15 . 1 1 5 5 THR CB C 4 70.137 70.137 69.124 1.013 17879 9208 1 15 . 1 1 5 5 THR H H 4 9.971 9.971 8.179 1.792 17879 9209 1 15 . 1 1 6 6 PHE N N 5 123.021 123.021 121.615 1.406 17879 9210 1 15 . 1 1 6 6 PHE HA H 5 4.125 4.125 4.363 -0.238 17879 9211 1 15 . 1 1 6 6 PHE C C 5 177.064 177.064 175.940 1.124 17879 9212 1 15 . 1 1 6 6 PHE CA C 5 63.041 63.041 60.252 2.789 17879 9213 1 15 . 1 1 6 6 PHE CB C 5 40.828 40.828 39.346 1.482 17879 9214 1 15 . 1 1 6 6 PHE H H 5 8.863 8.863 8.684 0.179 17879 9215 1 15 . 1 1 7 7 LYS N N 6 114.006 114.006 116.664 -2.658 17879 9216 1 15 . 1 1 7 7 LYS HA H 6 3.916 3.916 3.423 0.493 17879 9217 1 15 . 1 1 7 7 LYS C C 6 177.535 177.535 176.479 1.056 17879 9218 1 15 . 1 1 7 7 LYS CA C 6 60.026 60.026 56.870 3.156 17879 9219 1 15 . 1 1 7 7 LYS CB C 6 33.611 33.611 32.507 1.104 17879 9220 1 15 . 1 1 7 7 LYS H H 6 8.661 8.661 8.002 0.659 17879 9221 1 15 . 1 1 8 8 SER N N 7 111.149 111.149 114.806 -3.657 17879 9222 1 15 . 1 1 8 8 SER HA H 7 4.275 4.275 4.222 0.053 17879 9223 1 15 . 1 1 8 8 SER C C 7 175.689 175.689 175.285 0.404 17879 9224 1 15 . 1 1 8 8 SER CA C 7 60.007 60.007 59.969 0.038 17879 9225 1 15 . 1 1 8 8 SER CB C 7 63.759 63.759 62.784 0.975 17879 9226 1 15 . 1 1 8 8 SER H H 7 7.552 7.552 7.955 -0.403 17879 9227 1 15 . 1 1 9 9 GLU N N 8 122.296 122.296 120.664 1.632 17879 9228 1 15 . 1 1 9 9 GLU HA H 8 3.818 3.818 4.167 -0.349 17879 9229 1 15 . 1 1 9 9 GLU C C 8 176.068 176.068 175.938 0.130 17879 9230 1 15 . 1 1 9 9 GLU CA C 8 58.137 58.137 57.949 0.188 17879 9231 1 15 . 1 1 9 9 GLU CB C 8 30.965 30.965 30.284 0.681 17879 9232 1 15 . 1 1 9 9 GLU H H 8 7.924 7.924 7.885 0.039 17879 9233 1 15 . 1 1 10 10 TYR N N 9 115.131 115.131 114.019 1.112 17879 9234 1 15 . 1 1 10 10 TYR HA H 9 5.066 5.066 5.015 0.051 17879 9235 1 15 . 1 1 10 10 TYR CA C 9 53.958 53.958 53.297 0.661 17879 9236 1 15 . 1 1 10 10 TYR CB C 9 41.055 41.055 37.904 3.151 17879 9237 1 15 . 1 1 10 10 TYR H H 9 7.052 7.052 6.689 0.363 17879 9238 1 15 . 1 1 11 11 PRO HA H 10 4.708 4.708 4.586 0.122 17879 9239 1 15 . 1 1 11 11 PRO C C 10 177.384 177.384 177.083 0.301 17879 9240 1 15 . 1 1 11 11 PRO CA C 10 62.279 62.279 61.865 0.414 17879 9241 1 15 . 1 1 11 11 PRO CB C 10 33.087 33.087 32.787 0.300 17879 9242 1 15 . 1 1 12 12 PHE N N 11 125.307 125.307 120.457 4.850 17879 9243 1 15 . 1 1 12 12 PHE HA H 11 3.883 3.883 4.378 -0.495 17879 9244 1 15 . 1 1 12 12 PHE C C 11 176.157 176.157 176.819 -0.662 17879 9245 1 15 . 1 1 12 12 PHE CA C 11 63.156 63.156 61.529 1.627 17879 9246 1 15 . 1 1 12 12 PHE CB C 11 39.935 39.935 39.487 0.448 17879 9247 1 15 . 1 1 12 12 PHE H H 11 9.385 9.385 8.713 0.672 17879 9248 1 15 . 1 1 13 13 GLU N N 12 115.356 115.356 117.864 -2.508 17879 9249 1 15 . 1 1 13 13 GLU HA H 12 3.857 3.857 4.069 -0.212 17879 9250 1 15 . 1 1 13 13 GLU C C 12 179.598 179.598 177.363 2.235 17879 9251 1 15 . 1 1 13 13 GLU CA C 12 60.317 60.317 58.651 1.665 17879 9252 1 15 . 1 1 13 13 GLU CB C 12 28.642 28.642 28.962 -0.320 17879 9253 1 15 . 1 1 13 13 GLU H H 12 9.800 9.800 8.975 0.825 17879 9254 1 15 . 1 1 14 14 LYS N N 13 118.194 118.194 118.603 -0.409 17879 9255 1 15 . 1 1 14 14 LYS HA H 13 4.246 4.246 4.322 -0.076 17879 9256 1 15 . 1 1 14 14 LYS C C 13 178.804 178.804 178.075 0.729 17879 9257 1 15 . 1 1 14 14 LYS CA C 13 58.143 58.143 57.783 0.360 17879 9258 1 15 . 1 1 14 14 LYS CB C 13 32.770 32.770 33.283 -0.513 17879 9259 1 15 . 1 1 14 14 LYS H H 13 7.160 7.160 7.401 -0.241 17879 9260 1 15 . 1 1 15 15 ARG N N 14 120.949 120.949 120.033 0.916 17879 9261 1 15 . 1 1 15 15 ARG HA H 14 3.892 3.892 4.164 -0.272 17879 9262 1 15 . 1 1 15 15 ARG C C 14 176.858 176.858 178.306 -1.448 17879 9263 1 15 . 1 1 15 15 ARG CA C 14 61.520 61.520 59.431 2.089 17879 9264 1 15 . 1 1 15 15 ARG CB C 14 32.840 32.840 30.255 2.585 17879 9265 1 15 . 1 1 15 15 ARG H H 14 7.686 7.686 7.886 -0.200 17879 9266 1 15 . 1 1 16 16 LYS N N 15 119.224 119.224 119.654 -0.430 17879 9267 1 15 . 1 1 16 16 LYS HA H 15 4.449 4.449 4.243 0.206 17879 9268 1 15 . 1 1 16 16 LYS C C 15 177.796 177.796 177.306 0.490 17879 9269 1 15 . 1 1 16 16 LYS CA C 15 57.366 57.366 58.720 -1.354 17879 9270 1 15 . 1 1 16 16 LYS CB C 15 32.529 32.529 31.637 0.892 17879 9271 1 15 . 1 1 16 16 LYS H H 15 8.667 8.667 8.267 0.400 17879 9272 1 15 . 1 1 17 17 ALA N N 16 117.777 117.777 119.425 -1.648 17879 9273 1 15 . 1 1 17 17 ALA HA H 16 4.164 4.164 4.353 -0.189 17879 9274 1 15 . 1 1 17 17 ALA C C 16 180.641 180.641 179.268 1.373 17879 9275 1 15 . 1 1 17 17 ALA CA C 16 54.627 54.627 53.788 0.839 17879 9276 1 15 . 1 1 17 17 ALA CB C 16 18.114 18.114 18.263 -0.149 17879 9277 1 15 . 1 1 17 17 ALA H H 16 7.305 7.305 7.987 -0.682 17879 9278 1 15 . 1 1 18 18 GLU N N 17 119.934 119.934 119.893 0.041 17879 9279 1 15 . 1 1 18 18 GLU HA H 17 4.695 4.695 4.179 0.516 17879 9280 1 15 . 1 1 18 18 GLU C C 17 178.339 178.339 178.462 -0.123 17879 9281 1 15 . 1 1 18 18 GLU CA C 17 58.173 58.173 58.589 -0.416 17879 9282 1 15 . 1 1 18 18 GLU CB C 17 28.765 28.765 29.415 -0.650 17879 9283 1 15 . 1 1 18 18 GLU H H 17 7.849 7.849 7.500 0.349 17879 9284 1 15 . 1 1 19 19 SER N N 18 117.685 117.685 115.046 2.639 17879 9285 1 15 . 1 1 19 19 SER HA H 18 3.542 3.542 3.933 -0.391 17879 9286 1 15 . 1 1 19 19 SER C C 18 178.206 178.206 176.667 1.539 17879 9287 1 15 . 1 1 19 19 SER CA C 18 62.108 62.108 60.667 1.441 17879 9288 1 15 . 1 1 19 19 SER CB C 18 59.839 59.839 62.135 -2.296 17879 9289 1 15 . 1 1 19 19 SER H H 18 8.785 8.785 8.741 0.044 17879 9290 1 15 . 1 1 20 20 GLU N N 19 124.346 124.346 121.385 2.961 17879 9291 1 15 . 1 1 20 20 GLU HA H 19 3.988 3.988 4.081 -0.093 17879 9292 1 15 . 1 1 20 20 GLU C C 19 178.788 178.788 177.839 0.949 17879 9293 1 15 . 1 1 20 20 GLU CA C 19 59.701 59.701 58.909 0.792 17879 9294 1 15 . 1 1 20 20 GLU CB C 19 29.318 29.318 29.543 -0.225 17879 9295 1 15 . 1 1 20 20 GLU H H 19 8.052 8.052 8.183 -0.131 17879 9296 1 15 . 1 1 21 21 ARG N N 20 122.089 122.089 117.486 4.603 17879 9297 1 15 . 1 1 21 21 ARG HA H 20 4.093 4.093 4.238 -0.145 17879 9298 1 15 . 1 1 21 21 ARG C C 20 179.458 179.458 178.126 1.332 17879 9299 1 15 . 1 1 21 21 ARG CA C 20 59.500 59.500 58.236 1.264 17879 9300 1 15 . 1 1 21 21 ARG CB C 20 30.412 30.412 30.223 0.189 17879 9301 1 15 . 1 1 21 21 ARG H H 20 7.958 7.958 7.510 0.448 17879 9302 1 15 . 1 1 22 22 ILE N N 21 119.893 119.893 119.986 -0.093 17879 9303 1 15 . 1 1 22 22 ILE HA H 21 3.623 3.623 3.465 0.158 17879 9304 1 15 . 1 1 22 22 ILE C C 21 176.842 176.842 177.130 -0.288 17879 9305 1 15 . 1 1 22 22 ILE CA C 21 65.145 65.145 63.859 1.286 17879 9306 1 15 . 1 1 22 22 ILE CB C 21 38.195 38.195 37.755 0.440 17879 9307 1 15 . 1 1 22 22 ILE H H 21 8.277 8.277 7.670 0.607 17879 9308 1 15 . 1 1 23 23 ALA N N 22 121.816 121.816 120.217 1.599 17879 9309 1 15 . 1 1 23 23 ALA HA H 22 4.071 4.071 4.128 -0.057 17879 9310 1 15 . 1 1 23 23 ALA C C 22 179.199 179.199 177.178 2.021 17879 9311 1 15 . 1 1 23 23 ALA CA C 22 54.519 54.519 53.725 0.794 17879 9312 1 15 . 1 1 23 23 ALA CB C 22 18.001 18.001 18.549 -0.548 17879 9313 1 15 . 1 1 23 23 ALA H H 22 7.962 7.962 7.589 0.373 17879 9314 1 15 . 1 1 24 24 ASP N N 23 114.866 114.866 116.686 -1.820 17879 9315 1 15 . 1 1 24 24 ASP HA H 23 4.401 4.401 4.606 -0.205 17879 9316 1 15 . 1 1 24 24 ASP C C 23 177.324 177.324 177.876 -0.552 17879 9317 1 15 . 1 1 24 24 ASP CA C 23 56.248 56.248 55.230 1.018 17879 9318 1 15 . 1 1 24 24 ASP CB C 23 42.193 42.193 41.874 0.319 17879 9319 1 15 . 1 1 24 24 ASP H H 23 7.368 7.368 7.530 -0.162 17879 9320 1 15 . 1 1 25 25 ARG N N 24 116.868 116.868 118.672 -1.804 17879 9321 1 15 . 1 1 25 25 ARG HA H 24 3.922 3.922 4.149 -0.227 17879 9322 1 15 . 1 1 25 25 ARG C C 24 176.266 176.266 176.954 -0.688 17879 9323 1 15 . 1 1 25 25 ARG CA C 24 57.158 57.158 57.125 0.033 17879 9324 1 15 . 1 1 25 25 ARG CB C 24 31.477 31.477 31.115 0.362 17879 9325 1 15 . 1 1 25 25 ARG H H 24 7.815 7.815 7.866 -0.051 17879 9326 1 15 . 1 1 26 26 PHE N N 25 116.737 116.737 116.625 0.112 17879 9327 1 15 . 1 1 26 26 PHE HA H 25 5.084 5.084 5.022 0.062 17879 9328 1 15 . 1 1 26 26 PHE CA C 25 54.304 54.304 53.756 0.548 17879 9329 1 15 . 1 1 26 26 PHE CB C 25 39.026 39.026 38.185 0.841 17879 9330 1 15 . 1 1 26 26 PHE H H 25 8.658 8.658 7.734 0.924 17879 9331 1 15 . 1 1 27 27 PRO HA H 26 4.503 4.503 4.389 0.114 17879 9332 1 15 . 1 1 27 27 PRO C C 26 177.538 177.538 176.608 0.930 17879 9333 1 15 . 1 1 27 27 PRO CA C 26 64.394 64.394 64.352 0.042 17879 9334 1 15 . 1 1 27 27 PRO CB C 26 31.961 31.961 32.040 -0.079 17879 9335 1 15 . 1 1 28 28 ASN N N 27 114.596 114.596 115.812 -1.216 17879 9336 1 15 . 1 1 28 28 ASN HA H 27 4.725 4.725 4.760 -0.035 17879 9337 1 15 . 1 1 28 28 ASN C C 27 174.678 174.678 174.777 -0.099 17879 9338 1 15 . 1 1 28 28 ASN CA C 27 52.868 52.868 52.928 -0.060 17879 9339 1 15 . 1 1 28 28 ASN CB C 27 38.331 38.331 38.098 0.233 17879 9340 1 15 . 1 1 28 28 ASN H H 27 8.537 8.537 8.861 -0.324 17879 9341 1 15 . 1 1 29 29 ARG N N 28 116.946 116.946 119.960 -3.014 17879 9342 1 15 . 1 1 29 29 ARG HA H 28 4.769 4.769 4.512 0.257 17879 9343 1 15 . 1 1 29 29 ARG C C 28 174.469 174.469 174.797 -0.328 17879 9344 1 15 . 1 1 29 29 ARG CA C 28 52.948 52.948 54.395 -1.447 17879 9345 1 15 . 1 1 29 29 ARG CB C 28 32.941 32.941 32.379 0.562 17879 9346 1 15 . 1 1 29 29 ARG H H 28 7.580 7.580 7.351 0.229 17879 9347 1 15 . 1 1 30 30 ILE N N 29 121.854 121.854 119.971 1.883 17879 9348 1 15 . 1 1 30 30 ILE HA H 29 4.098 4.098 3.901 0.197 17879 9349 1 15 . 1 1 30 30 ILE CA C 29 55.558 55.558 56.789 -1.231 17879 9350 1 15 . 1 1 30 30 ILE CB C 29 38.805 38.805 39.412 -0.607 17879 9351 1 15 . 1 1 30 30 ILE H H 29 9.262 9.262 8.669 0.593 17879 9352 1 15 . 1 1 31 31 PRO HA H 30 4.856 4.856 4.897 -0.041 17879 9353 1 15 . 1 1 31 31 PRO C C 30 174.121 174.121 176.022 -1.901 17879 9354 1 15 . 1 1 31 31 PRO CA C 30 61.705 61.705 61.791 -0.086 17879 9355 1 15 . 1 1 31 31 PRO CB C 30 30.966 30.966 32.323 -1.357 17879 9356 1 15 . 1 1 32 32 VAL N N 31 127.197 127.197 121.232 5.965 17879 9357 1 15 . 1 1 32 32 VAL HA H 31 4.997 4.997 4.608 0.389 17879 9358 1 15 . 1 1 32 32 VAL C C 31 174.181 174.181 173.231 0.950 17879 9359 1 15 . 1 1 32 32 VAL CA C 31 60.620 60.620 60.557 0.063 17879 9360 1 15 . 1 1 32 32 VAL CB C 31 35.645 35.645 35.734 -0.089 17879 9361 1 15 . 1 1 32 32 VAL H H 31 9.096 9.096 9.079 0.017 17879 9362 1 15 . 1 1 33 33 ILE N N 32 127.157 127.157 125.662 1.495 17879 9363 1 15 . 1 1 33 33 ILE HA H 32 4.917 4.917 4.694 0.223 17879 9364 1 15 . 1 1 33 33 ILE C C 32 174.991 174.991 175.514 -0.523 17879 9365 1 15 . 1 1 33 33 ILE CA C 32 56.589 56.589 58.468 -1.879 17879 9366 1 15 . 1 1 33 33 ILE CB C 32 35.908 35.908 37.130 -1.222 17879 9367 1 15 . 1 1 33 33 ILE H H 32 8.775 8.775 8.590 0.185 17879 9368 1 15 . 1 1 34 34 CYS N N 33 129.280 129.280 127.664 1.616 17879 9369 1 15 . 1 1 34 34 CYS HA H 33 5.559 5.559 4.586 0.973 17879 9370 1 15 . 1 1 34 34 CYS C C 33 173.218 173.218 174.122 -0.904 17879 9371 1 15 . 1 1 34 34 CYS CA C 33 57.121 57.121 60.169 -3.048 17879 9372 1 15 . 1 1 34 34 CYS CB C 33 28.880 28.880 29.535 -0.655 17879 9373 1 15 . 1 1 34 34 CYS H H 33 9.738 9.738 9.238 0.500 17879 9374 1 15 . 1 1 35 35 GLU N N 34 124.130 124.130 122.829 1.301 17879 9375 1 15 . 1 1 35 35 GLU HA H 34 4.977 4.977 4.584 0.393 17879 9376 1 15 . 1 1 35 35 GLU C C 34 174.190 174.190 173.894 0.296 17879 9377 1 15 . 1 1 35 35 GLU CA C 34 54.308 54.308 55.245 -0.938 17879 9378 1 15 . 1 1 35 35 GLU CB C 34 35.281 35.281 33.490 1.791 17879 9379 1 15 . 1 1 35 35 GLU H H 34 8.531 8.531 8.494 0.037 17879 9380 1 15 . 1 1 36 36 LYS N N 35 123.562 123.562 121.413 2.149 17879 9381 1 15 . 1 1 36 36 LYS HA H 35 3.056 3.056 4.293 -1.237 17879 9382 1 15 . 1 1 36 36 LYS C C 35 177.452 177.452 175.436 2.016 17879 9383 1 15 . 1 1 36 36 LYS CA C 35 56.374 56.374 54.054 2.320 17879 9384 1 15 . 1 1 36 36 LYS CB C 35 32.750 32.750 34.780 -2.030 17879 9385 1 15 . 1 1 36 36 LYS H H 35 8.949 8.949 8.518 0.431 17879 9386 1 15 . 1 1 37 37 ALA N N 36 129.494 129.494 129.869 -0.375 17879 9387 1 15 . 1 1 37 37 ALA HA H 36 4.163 4.163 4.303 -0.140 17879 9388 1 15 . 1 1 37 37 ALA C C 36 178.375 178.375 177.493 0.882 17879 9389 1 15 . 1 1 37 37 ALA CA C 36 52.702 52.702 52.085 0.617 17879 9390 1 15 . 1 1 37 37 ALA CB C 36 18.673 18.673 19.612 -0.939 17879 9391 1 15 . 1 1 37 37 ALA H H 36 8.561 8.561 8.099 0.462 17879 9392 1 15 . 1 1 38 38 GLU N N 37 125.115 125.115 124.503 0.612 17879 9393 1 15 . 1 1 38 38 GLU HA H 37 3.959 3.959 3.942 0.017 17879 9394 1 15 . 1 1 38 38 GLU C C 37 177.516 177.516 177.433 0.083 17879 9395 1 15 . 1 1 38 38 GLU CA C 37 59.302 59.302 58.459 0.842 17879 9396 1 15 . 1 1 38 38 GLU CB C 37 30.154 30.154 29.401 0.753 17879 9397 1 15 . 1 1 38 38 GLU H H 37 8.648 8.648 8.662 -0.014 17879 9398 1 15 . 1 1 39 39 LYS N N 38 115.020 115.020 119.765 -4.745 17879 9399 1 15 . 1 1 39 39 LYS HA H 38 4.188 4.188 4.100 0.088 17879 9400 1 15 . 1 1 39 39 LYS C C 38 176.244 176.244 177.628 -1.384 17879 9401 1 15 . 1 1 39 39 LYS CA C 38 56.564 56.564 57.717 -1.153 17879 9402 1 15 . 1 1 39 39 LYS CB C 38 31.484 31.484 32.277 -0.793 17879 9403 1 15 . 1 1 39 39 LYS H H 38 8.494 8.494 8.206 0.288 17879 9404 1 15 . 1 1 40 40 SER N N 39 113.091 113.091 113.275 -0.184 17879 9405 1 15 . 1 1 40 40 SER HA H 39 4.535 4.535 4.563 -0.028 17879 9406 1 15 . 1 1 40 40 SER C C 39 174.896 174.896 174.309 0.587 17879 9407 1 15 . 1 1 40 40 SER CA C 39 57.985 57.985 59.352 -1.367 17879 9408 1 15 . 1 1 40 40 SER CB C 39 65.000 65.000 63.737 1.263 17879 9409 1 15 . 1 1 40 40 SER H H 39 7.346 7.346 7.702 -0.356 17879 9410 1 15 . 1 1 41 41 ASP N N 40 127.375 127.375 120.205 7.170 17879 9411 1 15 . 1 1 41 41 ASP HA H 40 4.782 4.782 4.842 -0.060 17879 9412 1 15 . 1 1 41 41 ASP C C 40 175.205 175.205 176.078 -0.873 17879 9413 1 15 . 1 1 41 41 ASP CA C 40 53.549 53.549 54.263 -0.714 17879 9414 1 15 . 1 1 41 41 ASP CB C 40 39.916 39.916 41.769 -1.853 17879 9415 1 15 . 1 1 41 41 ASP H H 40 8.744 8.744 8.592 0.152 17879 9416 1 15 . 1 1 42 42 ILE N N 41 122.943 122.943 117.629 5.314 17879 9417 1 15 . 1 1 42 42 ILE HA H 41 4.661 4.661 4.627 0.034 17879 9418 1 15 . 1 1 42 42 ILE CA C 41 59.133 59.133 57.971 1.161 17879 9419 1 15 . 1 1 42 42 ILE CB C 41 40.534 40.534 39.073 1.461 17879 9420 1 15 . 1 1 42 42 ILE H H 41 7.649 7.649 7.481 0.168 17879 9421 1 15 . 1 1 43 43 PRO HA H 42 4.414 4.414 4.518 -0.104 17879 9422 1 15 . 1 1 43 43 PRO C C 42 175.952 175.952 175.982 -0.030 17879 9423 1 15 . 1 1 43 43 PRO CA C 42 63.829 63.829 62.653 1.176 17879 9424 1 15 . 1 1 43 43 PRO CB C 42 32.895 32.895 32.154 0.741 17879 9425 1 15 . 1 1 44 44 GLU N N 43 120.369 120.369 122.361 -1.992 17879 9426 1 15 . 1 1 44 44 GLU HA H 43 4.298 4.298 4.202 0.096 17879 9427 1 15 . 1 1 44 44 GLU C C 43 175.316 175.316 176.721 -1.405 17879 9428 1 15 . 1 1 44 44 GLU CA C 43 56.400 56.400 56.718 -0.317 17879 9429 1 15 . 1 1 44 44 GLU CB C 43 31.282 31.282 30.630 0.652 17879 9430 1 15 . 1 1 44 44 GLU H H 43 8.393 8.393 8.453 -0.060 17879 9431 1 15 . 1 1 45 45 ILE N N 44 123.670 123.670 122.597 1.073 17879 9432 1 15 . 1 1 45 45 ILE HA H 44 4.419 4.419 4.237 0.182 17879 9433 1 15 . 1 1 45 45 ILE C C 44 174.786 174.786 176.352 -1.566 17879 9434 1 15 . 1 1 45 45 ILE CA C 44 61.027 61.027 60.917 0.110 17879 9435 1 15 . 1 1 45 45 ILE CB C 44 40.509 40.509 39.185 1.324 17879 9436 1 15 . 1 1 45 45 ILE H H 44 8.067 8.067 8.306 -0.239 17879 9437 1 15 . 1 1 46 46 ASP N N 45 123.340 123.340 123.420 -0.080 17879 9438 1 15 . 1 1 46 46 ASP HA H 45 4.412 4.412 4.507 -0.095 17879 9439 1 15 . 1 1 46 46 ASP C C 45 175.494 175.494 175.308 0.186 17879 9440 1 15 . 1 1 46 46 ASP CA C 45 55.467 55.467 56.662 -1.195 17879 9441 1 15 . 1 1 46 46 ASP CB C 45 40.320 40.320 41.216 -0.896 17879 9442 1 15 . 1 1 46 46 ASP H H 45 8.468 8.468 8.823 -0.355 17879 9443 1 15 . 1 1 47 47 LYS N N 46 121.295 121.295 114.154 7.141 17879 9444 1 15 . 1 1 47 47 LYS HA H 46 4.428 4.428 4.603 -0.175 17879 9445 1 15 . 1 1 47 47 LYS CA C 46 56.020 56.020 54.890 1.130 17879 9446 1 15 . 1 1 47 47 LYS CB C 46 34.644 34.644 34.809 -0.166 17879 9447 1 15 . 1 1 47 47 LYS H H 46 7.319 7.319 7.649 -0.330 17879 9448 1 15 . 1 1 48 48 ARG N N 47 124.949 124.949 120.539 4.410 17879 9449 1 15 . 1 1 48 48 ARG HA H 47 5.271 5.271 4.776 0.495 17879 9450 1 15 . 1 1 48 48 ARG C C 47 173.546 173.546 174.936 -1.390 17879 9451 1 15 . 1 1 48 48 ARG CA C 47 55.581 55.581 55.575 0.006 17879 9452 1 15 . 1 1 48 48 ARG CB C 47 32.992 32.992 30.671 2.321 17879 9453 1 15 . 1 1 48 48 ARG H H 47 8.558 8.558 8.601 -0.043 17879 9454 1 15 . 1 1 49 49 LYS N N 48 122.812 122.812 122.994 -0.182 17879 9455 1 15 . 1 1 49 49 LYS HA H 48 5.030 5.030 4.230 0.800 17879 9456 1 15 . 1 1 49 49 LYS C C 48 174.301 174.301 174.206 0.095 17879 9457 1 15 . 1 1 49 49 LYS CA C 48 55.042 55.042 55.949 -0.907 17879 9458 1 15 . 1 1 49 49 LYS CB C 48 34.065 34.065 33.850 0.215 17879 9459 1 15 . 1 1 49 49 LYS H H 48 7.440 7.440 8.008 -0.568 17879 9460 1 15 . 1 1 50 50 TYR N N 49 124.842 124.842 124.859 -0.017 17879 9461 1 15 . 1 1 50 50 TYR HA H 49 4.721 4.721 4.685 0.036 17879 9462 1 15 . 1 1 50 50 TYR C C 49 173.674 173.674 174.165 -0.491 17879 9463 1 15 . 1 1 50 50 TYR CA C 49 57.192 57.192 57.407 -0.215 17879 9464 1 15 . 1 1 50 50 TYR CB C 49 43.123 43.123 42.743 0.380 17879 9465 1 15 . 1 1 50 50 TYR H H 49 9.590 9.590 9.456 0.134 17879 9466 1 15 . 1 1 51 51 LEU N N 50 124.138 124.138 125.618 -1.480 17879 9467 1 15 . 1 1 51 51 LEU HA H 50 4.753 4.753 4.743 0.010 17879 9468 1 15 . 1 1 51 51 LEU C C 50 176.050 176.050 176.037 0.013 17879 9469 1 15 . 1 1 51 51 LEU CA C 50 53.158 53.158 54.039 -0.881 17879 9470 1 15 . 1 1 51 51 LEU CB C 50 41.155 41.155 41.399 -0.244 17879 9471 1 15 . 1 1 51 51 LEU H H 50 8.901 8.901 8.831 0.070 17879 9472 1 15 . 1 1 52 52 VAL N N 51 123.181 123.181 118.402 4.779 17879 9473 1 15 . 1 1 52 52 VAL HA H 51 3.948 3.948 4.546 -0.598 17879 9474 1 15 . 1 1 52 52 VAL CA C 51 59.724 59.724 59.215 0.509 17879 9475 1 15 . 1 1 52 52 VAL CB C 51 33.605 33.605 31.860 1.744 17879 9476 1 15 . 1 1 52 52 VAL H H 51 8.513 8.513 7.962 0.551 17879 9477 1 15 . 1 1 53 53 PRO HA H 52 4.305 4.305 4.362 -0.058 17879 9478 1 15 . 1 1 53 53 PRO C C 52 176.607 176.607 176.118 0.489 17879 9479 1 15 . 1 1 53 53 PRO CA C 52 63.950 63.950 62.030 1.920 17879 9480 1 15 . 1 1 53 53 PRO CB C 52 32.163 32.163 32.439 -0.276 17879 9481 1 15 . 1 1 54 54 ALA N N 53 123.771 123.771 119.956 3.815 17879 9482 1 15 . 1 1 54 54 ALA HA H 53 3.720 3.720 4.171 -0.451 17879 9483 1 15 . 1 1 54 54 ALA C C 53 176.409 176.409 176.822 -0.413 17879 9484 1 15 . 1 1 54 54 ALA CA C 53 54.742 54.742 52.885 1.857 17879 9485 1 15 . 1 1 54 54 ALA CB C 53 18.948 18.948 19.189 -0.240 17879 9486 1 15 . 1 1 54 54 ALA H H 53 7.926 7.926 8.226 -0.300 17879 9487 1 15 . 1 1 55 55 ASP N N 54 111.152 111.152 117.260 -6.108 17879 9488 1 15 . 1 1 55 55 ASP HA H 54 4.621 4.621 4.647 -0.026 17879 9489 1 15 . 1 1 55 55 ASP C C 54 175.823 175.823 175.599 0.224 17879 9490 1 15 . 1 1 55 55 ASP CA C 54 52.744 52.744 54.898 -2.154 17879 9491 1 15 . 1 1 55 55 ASP CB C 54 39.861 39.861 41.708 -1.847 17879 9492 1 15 . 1 1 55 55 ASP H H 54 8.106 8.106 8.130 -0.024 17879 9493 1 15 . 1 1 56 56 LEU N N 55 121.263 121.263 120.787 0.476 17879 9494 1 15 . 1 1 56 56 LEU HA H 55 4.351 4.351 4.302 0.049 17879 9495 1 15 . 1 1 56 56 LEU C C 55 177.459 177.459 176.052 1.407 17879 9496 1 15 . 1 1 56 56 LEU CA C 55 55.472 55.472 56.033 -0.561 17879 9497 1 15 . 1 1 56 56 LEU CB C 55 43.593 43.593 43.723 -0.130 17879 9498 1 15 . 1 1 56 56 LEU H H 55 7.295 7.295 7.835 -0.540 17879 9499 1 15 . 1 1 57 57 THR N N 56 114.222 114.222 115.533 -1.311 17879 9500 1 15 . 1 1 57 57 THR HA H 56 5.233 5.233 4.518 0.715 17879 9501 1 15 . 1 1 57 57 THR C C 56 176.538 176.538 175.759 0.779 17879 9502 1 15 . 1 1 57 57 THR CA C 56 60.318 60.318 60.496 -0.178 17879 9503 1 15 . 1 1 57 57 THR CB C 56 71.303 71.303 70.576 0.727 17879 9504 1 15 . 1 1 57 57 THR H H 56 8.476 8.476 8.187 0.289 17879 9505 1 15 . 1 1 58 58 VAL N N 57 122.331 122.331 120.522 1.809 17879 9506 1 15 . 1 1 58 58 VAL HA H 57 3.738 3.738 3.976 -0.238 17879 9507 1 15 . 1 1 58 58 VAL C C 57 178.743 178.743 177.926 0.817 17879 9508 1 15 . 1 1 58 58 VAL CA C 57 66.797 66.797 66.038 0.759 17879 9509 1 15 . 1 1 58 58 VAL CB C 57 31.801 31.801 31.829 -0.028 17879 9510 1 15 . 1 1 58 58 VAL H H 57 8.806 8.806 8.129 0.677 17879 9511 1 15 . 1 1 59 59 GLY N N 58 105.470 105.470 106.393 -0.923 17879 9512 1 15 . 1 1 59 59 GLY C C 58 176.924 176.924 176.125 0.799 17879 9513 1 15 . 1 1 59 59 GLY CA C 58 47.317 47.317 46.835 0.482 17879 9514 1 15 . 1 1 59 59 GLY H H 58 9.381 9.381 7.722 1.659 17879 9515 1 15 . 1 1 60 60 GLN N N 59 121.492 121.492 120.399 1.093 17879 9516 1 15 . 1 1 60 60 GLN HA H 59 4.166 4.166 4.212 -0.046 17879 9517 1 15 . 1 1 60 60 GLN C C 59 178.605 178.605 178.403 0.202 17879 9518 1 15 . 1 1 60 60 GLN CA C 59 58.764 58.764 57.992 0.771 17879 9519 1 15 . 1 1 60 60 GLN CB C 59 29.129 29.129 28.858 0.271 17879 9520 1 15 . 1 1 60 60 GLN H H 59 8.027 8.027 7.728 0.299 17879 9521 1 15 . 1 1 61 61 PHE N N 60 122.595 122.595 121.461 1.134 17879 9522 1 15 . 1 1 61 61 PHE HA H 60 4.291 4.291 4.335 -0.044 17879 9523 1 15 . 1 1 61 61 PHE C C 60 176.690 176.690 176.678 0.012 17879 9524 1 15 . 1 1 61 61 PHE CA C 60 61.502 61.502 60.211 1.291 17879 9525 1 15 . 1 1 61 61 PHE CB C 60 39.155 39.155 39.316 -0.161 17879 9526 1 15 . 1 1 61 61 PHE H H 60 8.522 8.522 7.802 0.720 17879 9527 1 15 . 1 1 62 62 VAL N N 61 118.720 118.720 119.492 -0.772 17879 9528 1 15 . 1 1 62 62 VAL HA H 61 3.070 3.070 3.208 -0.138 17879 9529 1 15 . 1 1 62 62 VAL C C 61 176.872 176.872 177.291 -0.419 17879 9530 1 15 . 1 1 62 62 VAL CA C 61 67.040 67.040 66.459 0.581 17879 9531 1 15 . 1 1 62 62 VAL CB C 61 31.119 31.119 31.292 -0.173 17879 9532 1 15 . 1 1 62 62 VAL H H 61 8.705 8.705 8.331 0.374 17879 9533 1 15 . 1 1 63 63 TYR N N 62 118.462 118.462 119.346 -0.884 17879 9534 1 15 . 1 1 63 63 TYR HA H 62 3.987 3.987 4.090 -0.103 17879 9535 1 15 . 1 1 63 63 TYR C C 62 177.325 177.325 176.068 1.257 17879 9536 1 15 . 1 1 63 63 TYR CA C 62 61.685 61.685 60.992 0.693 17879 9537 1 15 . 1 1 63 63 TYR CB C 62 37.906 37.906 37.985 -0.079 17879 9538 1 15 . 1 1 63 63 TYR H H 62 7.373 7.373 7.625 -0.252 17879 9539 1 15 . 1 1 64 64 VAL N N 63 119.137 119.137 117.206 1.931 17879 9540 1 15 . 1 1 64 64 VAL HA H 63 3.342 3.342 3.109 0.233 17879 9541 1 15 . 1 1 64 64 VAL C C 63 178.326 178.326 177.643 0.683 17879 9542 1 15 . 1 1 64 64 VAL CA C 63 66.615 66.615 65.143 1.472 17879 9543 1 15 . 1 1 64 64 VAL CB C 63 31.157 31.157 31.928 -0.771 17879 9544 1 15 . 1 1 64 64 VAL H H 63 7.376 7.376 7.378 -0.002 17879 9545 1 15 . 1 1 65 65 ILE N N 64 118.858 118.858 119.133 -0.275 17879 9546 1 15 . 1 1 65 65 ILE HA H 64 3.279 3.279 3.547 -0.268 17879 9547 1 15 . 1 1 65 65 ILE C C 64 177.653 177.653 178.368 -0.715 17879 9548 1 15 . 1 1 65 65 ILE CA C 64 63.682 63.682 61.860 1.822 17879 9549 1 15 . 1 1 65 65 ILE CB C 64 36.150 36.150 35.595 0.555 17879 9550 1 15 . 1 1 65 65 ILE H H 64 7.366 7.366 7.622 -0.256 17879 9551 1 15 . 1 1 66 66 ARG N N 65 118.729 118.729 118.053 0.676 17879 9552 1 15 . 1 1 66 66 ARG HA H 65 3.397 3.397 3.960 -0.563 17879 9553 1 15 . 1 1 66 66 ARG C C 65 178.284 178.284 177.605 0.679 17879 9554 1 15 . 1 1 66 66 ARG CA C 65 60.078 60.078 57.558 2.520 17879 9555 1 15 . 1 1 66 66 ARG CB C 65 30.022 30.022 29.804 0.218 17879 9556 1 15 . 1 1 66 66 ARG H H 65 8.463 8.463 8.271 0.192 17879 9557 1 15 . 1 1 67 67 LYS N N 66 116.643 116.643 119.164 -2.521 17879 9558 1 15 . 1 1 67 67 LYS HA H 66 3.951 3.951 4.062 -0.111 17879 9559 1 15 . 1 1 67 67 LYS C C 66 178.989 178.989 178.647 0.342 17879 9560 1 15 . 1 1 67 67 LYS CA C 66 58.347 58.347 58.619 -0.272 17879 9561 1 15 . 1 1 67 67 LYS CB C 66 31.938 31.938 32.244 -0.306 17879 9562 1 15 . 1 1 67 67 LYS H H 66 7.536 7.536 7.724 -0.188 17879 9563 1 15 . 1 1 68 68 ARG N N 67 119.051 119.051 118.821 0.230 17879 9564 1 15 . 1 1 68 68 ARG HA H 67 4.104 4.104 4.064 0.040 17879 9565 1 15 . 1 1 68 68 ARG C C 67 178.122 178.122 178.021 0.101 17879 9566 1 15 . 1 1 68 68 ARG CA C 67 58.182 58.182 58.738 -0.556 17879 9567 1 15 . 1 1 68 68 ARG CB C 67 30.273 30.273 30.594 -0.321 17879 9568 1 15 . 1 1 68 68 ARG H H 67 7.783 7.783 7.942 -0.159 17879 9569 1 15 . 1 1 69 69 ILE N N 68 112.456 112.456 112.279 0.177 17879 9570 1 15 . 1 1 69 69 ILE HA H 68 4.223 4.223 4.340 -0.117 17879 9571 1 15 . 1 1 69 69 ILE C C 68 174.568 174.568 175.061 -0.493 17879 9572 1 15 . 1 1 69 69 ILE CA C 68 61.502 61.502 60.312 1.190 17879 9573 1 15 . 1 1 69 69 ILE CB C 68 38.643 38.643 38.150 0.493 17879 9574 1 15 . 1 1 69 69 ILE H H 68 7.675 7.675 7.163 0.512 17879 9575 1 15 . 1 1 70 70 MET N N 69 118.509 118.509 114.058 4.451 17879 9576 1 15 . 1 1 70 70 MET HA H 69 3.982 3.982 4.034 -0.052 17879 9577 1 15 . 1 1 70 70 MET C C 69 175.482 175.482 175.190 0.292 17879 9578 1 15 . 1 1 70 70 MET CA C 69 55.811 55.811 56.139 -0.328 17879 9579 1 15 . 1 1 70 70 MET CB C 69 29.392 29.392 29.998 -0.606 17879 9580 1 15 . 1 1 70 70 MET H H 69 7.805 7.805 7.125 0.680 17879 9581 1 15 . 1 1 71 71 LEU N N 70 121.952 121.952 121.457 0.495 17879 9582 1 15 . 1 1 71 71 LEU HA H 70 4.603 4.603 4.250 0.353 17879 9583 1 15 . 1 1 71 71 LEU CA C 70 52.560 52.560 54.822 -2.262 17879 9584 1 15 . 1 1 71 71 LEU CB C 70 44.045 44.045 42.272 1.773 17879 9585 1 15 . 1 1 71 71 LEU H H 70 7.493 7.493 7.462 0.031 17879 9586 1 15 . 1 1 72 72 PRO HA H 71 4.678 4.678 4.790 -0.112 17879 9587 1 15 . 1 1 72 72 PRO CA C 71 62.124 62.124 61.187 0.937 17879 9588 1 15 . 1 1 72 72 PRO CB C 71 31.307 31.307 31.036 0.271 17879 9589 1 15 . 1 1 73 73 PRO HA H 72 4.123 4.123 4.380 -0.257 17879 9590 1 15 . 1 1 73 73 PRO C C 72 177.052 177.052 177.037 0.015 17879 9591 1 15 . 1 1 73 73 PRO CA C 72 64.924 64.924 64.625 0.299 17879 9592 1 15 . 1 1 73 73 PRO CB C 72 32.049 32.049 32.098 -0.049 17879 9593 1 15 . 1 1 74 74 GLU N N 73 115.091 115.091 116.682 -1.591 17879 9594 1 15 . 1 1 74 74 GLU HA H 73 4.181 4.181 4.206 -0.025 17879 9595 1 15 . 1 1 74 74 GLU C C 73 176.459 176.459 176.870 -0.411 17879 9596 1 15 . 1 1 74 74 GLU CA C 73 57.774 57.774 57.151 0.623 17879 9597 1 15 . 1 1 74 74 GLU CB C 73 28.321 28.321 29.114 -0.793 17879 9598 1 15 . 1 1 74 74 GLU H H 73 9.065 9.065 8.776 0.289 17879 9599 1 15 . 1 1 75 75 LYS N N 74 121.755 121.755 119.250 2.505 17879 9600 1 15 . 1 1 75 75 LYS HA H 74 4.520 4.520 4.421 0.099 17879 9601 1 15 . 1 1 75 75 LYS C C 74 174.789 174.789 174.303 0.486 17879 9602 1 15 . 1 1 75 75 LYS CA C 74 54.789 54.789 54.686 0.103 17879 9603 1 15 . 1 1 75 75 LYS CB C 74 32.882 32.882 35.061 -2.179 17879 9604 1 15 . 1 1 75 75 LYS H H 74 7.797 7.797 7.394 0.403 17879 9605 1 15 . 1 1 76 76 ALA N N 75 127.848 127.848 120.065 7.783 17879 9606 1 15 . 1 1 76 76 ALA HA H 75 4.072 4.072 4.469 -0.397 17879 9607 1 15 . 1 1 76 76 ALA C C 75 175.710 175.710 175.037 0.673 17879 9608 1 15 . 1 1 76 76 ALA CA C 75 52.226 52.226 50.958 1.268 17879 9609 1 15 . 1 1 76 76 ALA CB C 75 20.956 20.956 21.662 -0.706 17879 9610 1 15 . 1 1 76 76 ALA H H 75 8.410 8.410 8.308 0.102 17879 9611 1 15 . 1 1 77 77 ILE N N 76 114.298 114.298 118.292 -3.994 17879 9612 1 15 . 1 1 77 77 ILE HA H 76 4.593 4.593 4.777 -0.184 17879 9613 1 15 . 1 1 77 77 ILE C C 76 172.379 172.379 173.809 -1.430 17879 9614 1 15 . 1 1 77 77 ILE CA C 76 59.699 59.699 61.243 -1.544 17879 9615 1 15 . 1 1 77 77 ILE CB C 76 41.218 41.218 41.482 -0.264 17879 9616 1 15 . 1 1 77 77 ILE H H 76 7.193 7.193 7.636 -0.443 17879 9617 1 15 . 1 1 78 78 PHE N N 77 124.094 124.094 125.006 -0.912 17879 9618 1 15 . 1 1 78 78 PHE HA H 77 4.556 4.556 4.809 -0.253 17879 9619 1 15 . 1 1 78 78 PHE C C 77 174.359 174.359 174.521 -0.162 17879 9620 1 15 . 1 1 78 78 PHE CA C 77 56.596 56.596 56.332 0.264 17879 9621 1 15 . 1 1 78 78 PHE CB C 77 42.370 42.370 42.854 -0.484 17879 9622 1 15 . 1 1 78 78 PHE H H 77 8.931 8.931 9.153 -0.222 17879 9623 1 15 . 1 1 79 79 ILE N N 78 117.724 117.724 122.646 -4.922 17879 9624 1 15 . 1 1 79 79 ILE HA H 78 5.233 5.233 4.392 0.841 17879 9625 1 15 . 1 1 79 79 ILE C C 78 173.334 173.334 174.649 -1.315 17879 9626 1 15 . 1 1 79 79 ILE CA C 78 58.130 58.130 60.428 -2.298 17879 9627 1 15 . 1 1 79 79 ILE CB C 78 39.360 39.360 37.257 2.103 17879 9628 1 15 . 1 1 79 79 ILE H H 78 8.025 8.025 8.841 -0.816 17879 9629 1 15 . 1 1 80 80 PHE N N 79 121.084 121.084 127.833 -6.749 17879 9630 1 15 . 1 1 80 80 PHE HA H 79 5.365 5.365 4.761 0.604 17879 9631 1 15 . 1 1 80 80 PHE C C 79 176.270 176.270 173.863 2.407 17879 9632 1 15 . 1 1 80 80 PHE CA C 79 55.948 55.948 57.203 -1.255 17879 9633 1 15 . 1 1 80 80 PHE CB C 79 42.763 42.763 41.634 1.129 17879 9634 1 15 . 1 1 80 80 PHE H H 79 9.210 9.210 9.157 0.053 17879 9635 1 15 . 1 1 81 81 VAL N N 80 117.974 117.974 124.085 -6.111 17879 9636 1 15 . 1 1 81 81 VAL HA H 80 4.520 4.520 4.511 0.009 17879 9637 1 15 . 1 1 81 81 VAL C C 80 175.699 175.699 175.058 0.641 17879 9638 1 15 . 1 1 81 81 VAL CA C 80 60.484 60.484 60.964 -0.479 17879 9639 1 15 . 1 1 81 81 VAL CB C 80 34.263 34.263 33.076 1.187 17879 9640 1 15 . 1 1 81 81 VAL H H 80 8.832 8.832 8.039 0.793 17879 9641 1 15 . 1 1 82 82 ASN N N 81 127.615 127.615 127.076 0.539 17879 9642 1 15 . 1 1 82 82 ASN HA H 81 4.339 4.339 4.414 -0.075 17879 9643 1 15 . 1 1 82 82 ASN C C 81 174.036 174.036 174.424 -0.388 17879 9644 1 15 . 1 1 82 82 ASN CA C 81 55.231 55.231 54.290 0.941 17879 9645 1 15 . 1 1 82 82 ASN CB C 81 37.408 37.408 36.897 0.511 17879 9646 1 15 . 1 1 82 82 ASN H H 81 9.689 9.689 9.342 0.347 17879 9647 1 15 . 1 1 83 83 ASP N N 82 112.699 112.699 111.783 0.916 17879 9648 1 15 . 1 1 83 83 ASP HA H 82 4.135 4.135 4.219 -0.084 17879 9649 1 15 . 1 1 83 83 ASP C C 82 174.560 174.560 175.306 -0.746 17879 9650 1 15 . 1 1 83 83 ASP CA C 82 55.638 55.638 55.560 0.078 17879 9651 1 15 . 1 1 83 83 ASP CB C 82 39.564 39.564 39.627 -0.063 17879 9652 1 15 . 1 1 83 83 ASP H H 82 8.772 8.772 8.627 0.145 17879 9653 1 15 . 1 1 84 84 THR N N 83 112.567 112.567 115.630 -3.063 17879 9654 1 15 . 1 1 84 84 THR HA H 83 4.715 4.715 4.643 0.072 17879 9655 1 15 . 1 1 84 84 THR C C 83 172.200 172.200 173.566 -1.366 17879 9656 1 15 . 1 1 84 84 THR CA C 83 60.868 60.868 61.523 -0.655 17879 9657 1 15 . 1 1 84 84 THR CB C 83 72.206 72.206 70.438 1.768 17879 9658 1 15 . 1 1 84 84 THR H H 83 8.080 8.080 7.537 0.543 17879 9659 1 15 . 1 1 85 85 LEU N N 84 125.810 125.810 130.927 -5.117 17879 9660 1 15 . 1 1 85 85 LEU HA H 84 5.127 5.127 4.726 0.401 17879 9661 1 15 . 1 1 85 85 LEU CA C 84 51.927 51.927 52.834 -0.907 17879 9662 1 15 . 1 1 85 85 LEU CB C 84 42.779 42.779 42.110 0.669 17879 9663 1 15 . 1 1 85 85 LEU H H 84 8.520 8.520 8.718 -0.198 17879 9664 1 15 . 1 1 86 86 PRO HA H 85 4.835 4.835 4.752 0.083 17879 9665 1 15 . 1 1 86 86 PRO CA C 85 60.910 60.910 61.149 -0.239 17879 9666 1 15 . 1 1 86 86 PRO CB C 85 30.852 30.852 31.397 -0.545 17879 9667 1 15 . 1 1 87 87 PRO HA H 86 4.577 4.577 4.556 0.021 17879 9668 1 15 . 1 1 87 87 PRO C C 86 177.830 177.830 177.048 0.782 17879 9669 1 15 . 1 1 87 87 PRO CA C 86 62.424 62.424 62.446 -0.022 17879 9670 1 15 . 1 1 87 87 PRO CB C 86 31.910 31.910 32.129 -0.219 17879 9671 1 15 . 1 1 88 88 THR N N 87 114.642 114.642 109.119 5.523 17879 9672 1 15 . 1 1 88 88 THR HA H 87 3.802 3.802 4.201 -0.399 17879 9673 1 15 . 1 1 88 88 THR C C 87 175.702 175.702 175.771 -0.069 17879 9674 1 15 . 1 1 88 88 THR CA C 87 65.079 65.079 64.534 0.545 17879 9675 1 15 . 1 1 88 88 THR CB C 87 68.818 68.818 68.776 0.042 17879 9676 1 15 . 1 1 88 88 THR H H 87 8.291 8.291 8.104 0.187 17879 9677 1 15 . 1 1 89 89 ALA N N 88 119.706 119.706 122.832 -3.126 17879 9678 1 15 . 1 1 89 89 ALA HA H 88 4.420 4.420 4.282 0.138 17879 9679 1 15 . 1 1 89 89 ALA C C 88 177.690 177.690 178.094 -0.404 17879 9680 1 15 . 1 1 89 89 ALA CA C 88 52.118 52.118 52.342 -0.224 17879 9681 1 15 . 1 1 89 89 ALA CB C 88 19.334 19.334 17.728 1.606 17879 9682 1 15 . 1 1 89 89 ALA H H 88 8.031 8.031 8.109 -0.078 17879 9683 1 15 . 1 1 90 90 ALA N N 89 120.388 120.388 122.291 -1.903 17879 9684 1 15 . 1 1 90 90 ALA HA H 89 4.179 4.179 4.242 -0.063 17879 9685 1 15 . 1 1 90 90 ALA C C 89 176.520 176.520 176.312 0.208 17879 9686 1 15 . 1 1 90 90 ALA CA C 89 52.454 52.454 51.062 1.392 17879 9687 1 15 . 1 1 90 90 ALA CB C 89 19.301 19.301 17.139 2.162 17879 9688 1 15 . 1 1 90 90 ALA H H 89 7.465 7.465 7.382 0.083 17879 9689 1 15 . 1 1 91 91 LEU N N 90 119.307 119.307 122.537 -3.230 17879 9690 1 15 . 1 1 91 91 LEU HA H 90 4.490 4.490 3.979 0.511 17879 9691 1 15 . 1 1 91 91 LEU C C 90 179.555 179.555 177.932 1.623 17879 9692 1 15 . 1 1 91 91 LEU CA C 90 54.578 54.578 56.081 -1.503 17879 9693 1 15 . 1 1 91 91 LEU CB C 90 42.689 42.689 41.659 1.030 17879 9694 1 15 . 1 1 91 91 LEU H H 90 8.458 8.458 8.411 0.047 17879 9695 1 15 . 1 1 92 92 MET N N 91 121.586 121.586 124.028 -2.442 17879 9696 1 15 . 1 1 92 92 MET HA H 91 4.231 4.231 3.930 0.301 17879 9697 1 15 . 1 1 92 92 MET C C 91 178.860 178.860 178.431 0.429 17879 9698 1 15 . 1 1 92 92 MET CA C 91 56.938 56.938 58.340 -1.402 17879 9699 1 15 . 1 1 92 92 MET CB C 91 29.372 29.372 31.075 -1.702 17879 9700 1 15 . 1 1 92 92 MET H H 91 9.203 9.203 8.232 0.971 17879 9701 1 15 . 1 1 93 93 SER N N 92 112.826 112.826 115.260 -2.434 17879 9702 1 15 . 1 1 93 93 SER HA H 92 3.978 3.978 4.208 -0.230 17879 9703 1 15 . 1 1 93 93 SER C C 92 176.318 176.318 176.359 -0.041 17879 9704 1 15 . 1 1 93 93 SER CA C 92 60.871 60.871 61.113 -0.242 17879 9705 1 15 . 1 1 93 93 SER CB C 92 61.575 61.575 62.515 -0.940 17879 9706 1 15 . 1 1 93 93 SER H H 92 8.717 8.717 8.419 0.298 17879 9707 1 15 . 1 1 94 94 ALA N N 93 126.735 126.735 123.329 3.406 17879 9708 1 15 . 1 1 94 94 ALA HA H 93 4.357 4.357 4.177 0.180 17879 9709 1 15 . 1 1 94 94 ALA C C 93 180.789 180.789 178.433 2.356 17879 9710 1 15 . 1 1 94 94 ALA CA C 93 54.841 54.841 54.299 0.542 17879 9711 1 15 . 1 1 94 94 ALA CB C 93 18.603 18.603 18.529 0.074 17879 9712 1 15 . 1 1 94 94 ALA H H 93 7.058 7.058 7.994 -0.936 17879 9713 1 15 . 1 1 95 95 ILE N N 94 118.720 118.720 117.700 1.020 17879 9714 1 15 . 1 1 95 95 ILE HA H 94 4.063 4.063 3.834 0.229 17879 9715 1 15 . 1 1 95 95 ILE C C 94 178.326 178.326 176.987 1.339 17879 9716 1 15 . 1 1 95 95 ILE CA C 94 62.755 62.755 62.606 0.149 17879 9717 1 15 . 1 1 95 95 ILE CB C 94 36.410 36.410 38.314 -1.904 17879 9718 1 15 . 1 1 95 95 ILE H H 94 7.872 7.872 7.656 0.216 17879 9719 1 15 . 1 1 96 96 TYR N N 95 120.697 120.697 119.523 1.174 17879 9720 1 15 . 1 1 96 96 TYR HA H 95 4.007 4.007 4.212 -0.205 17879 9721 1 15 . 1 1 96 96 TYR C C 95 176.022 176.022 175.771 0.251 17879 9722 1 15 . 1 1 96 96 TYR CA C 95 62.187 62.187 59.869 2.318 17879 9723 1 15 . 1 1 96 96 TYR CB C 95 39.093 39.093 38.647 0.446 17879 9724 1 15 . 1 1 96 96 TYR H H 95 8.841 8.841 8.398 0.443 17879 9725 1 15 . 1 1 97 97 GLN N N 96 114.982 114.982 117.647 -2.665 17879 9726 1 15 . 1 1 97 97 GLN HA H 96 3.778 3.778 4.077 -0.299 17879 9727 1 15 . 1 1 97 97 GLN C C 96 177.250 177.250 175.916 1.334 17879 9728 1 15 . 1 1 97 97 GLN CA C 96 58.719 58.719 56.314 2.405 17879 9729 1 15 . 1 1 97 97 GLN CB C 96 28.286 28.286 29.349 -1.063 17879 9730 1 15 . 1 1 97 97 GLN H H 96 7.757 7.757 7.715 0.042 17879 9731 1 15 . 1 1 98 98 GLU N N 97 114.340 114.340 117.400 -3.060 17879 9732 1 15 . 1 1 98 98 GLU HA H 97 4.099 4.099 4.334 -0.235 17879 9733 1 15 . 1 1 98 98 GLU C C 97 178.140 178.140 177.011 1.129 17879 9734 1 15 . 1 1 98 98 GLU CA C 97 57.886 57.886 56.618 1.268 17879 9735 1 15 . 1 1 98 98 GLU CB C 97 31.589 31.589 31.211 0.378 17879 9736 1 15 . 1 1 98 98 GLU H H 97 7.117 7.117 7.552 -0.435 17879 9737 1 15 . 1 1 99 99 HIS N N 98 113.377 113.377 117.483 -4.106 17879 9738 1 15 . 1 1 99 99 HIS HA H 98 4.829 4.829 4.778 0.051 17879 9739 1 15 . 1 1 99 99 HIS C C 98 175.856 175.856 174.304 1.552 17879 9740 1 15 . 1 1 99 99 HIS CA C 98 56.738 56.738 54.288 2.450 17879 9741 1 15 . 1 1 99 99 HIS CB C 98 32.930 32.930 30.734 2.196 17879 9742 1 15 . 1 1 99 99 HIS H H 98 8.247 8.247 7.890 0.357 17879 9743 1 15 . 1 1 100 100 LYS N N 99 120.905 120.905 118.858 2.047 17879 9744 1 15 . 1 1 100 100 LYS HA H 99 3.994 3.994 4.250 -0.256 17879 9745 1 15 . 1 1 100 100 LYS C C 99 174.832 174.832 175.607 -0.775 17879 9746 1 15 . 1 1 100 100 LYS CA C 99 57.693 57.693 56.286 1.407 17879 9747 1 15 . 1 1 100 100 LYS CB C 99 31.703 31.703 32.682 -0.979 17879 9748 1 15 . 1 1 100 100 LYS H H 99 8.065 8.065 7.577 0.488 17879 9749 1 15 . 1 1 101 101 ASP N N 100 124.188 124.188 120.622 3.566 17879 9750 1 15 . 1 1 101 101 ASP HA H 100 4.765 4.765 4.908 -0.143 17879 9751 1 15 . 1 1 101 101 ASP C C 100 177.692 177.692 176.593 1.099 17879 9752 1 15 . 1 1 101 101 ASP CA C 100 54.030 54.030 52.039 1.991 17879 9753 1 15 . 1 1 101 101 ASP CB C 100 43.429 43.429 43.568 -0.139 17879 9754 1 15 . 1 1 101 101 ASP H H 100 9.027 9.027 7.945 1.082 17879 9755 1 15 . 1 1 102 102 LYS N N 101 125.898 125.898 118.881 7.017 17879 9756 1 15 . 1 1 102 102 LYS HA H 101 4.239 4.239 4.056 0.183 17879 9757 1 15 . 1 1 102 102 LYS C C 101 178.053 178.053 177.871 0.182 17879 9758 1 15 . 1 1 102 102 LYS CA C 101 59.482 59.482 59.368 0.113 17879 9759 1 15 . 1 1 102 102 LYS CB C 101 32.821 32.821 32.814 0.007 17879 9760 1 15 . 1 1 102 102 LYS H H 101 8.678 8.678 8.749 -0.071 17879 9761 1 15 . 1 1 103 103 ASP N N 102 119.326 119.326 115.213 4.113 17879 9762 1 15 . 1 1 103 103 ASP HA H 102 4.127 4.127 4.376 -0.249 17879 9763 1 15 . 1 1 103 103 ASP C C 102 176.833 176.833 177.525 -0.692 17879 9764 1 15 . 1 1 103 103 ASP CA C 102 54.666 54.666 55.720 -1.054 17879 9765 1 15 . 1 1 103 103 ASP CB C 102 39.848 39.848 41.005 -1.157 17879 9766 1 15 . 1 1 103 103 ASP H H 102 10.276 10.276 8.541 1.735 17879 9767 1 15 . 1 1 104 104 GLY N N 103 106.059 106.059 107.391 -1.332 17879 9768 1 15 . 1 1 104 104 GLY C C 103 174.655 174.655 174.638 0.017 17879 9769 1 15 . 1 1 104 104 GLY CA C 103 45.319 45.319 45.522 -0.203 17879 9770 1 15 . 1 1 104 104 GLY H H 103 8.173 8.173 7.788 0.385 17879 9771 1 15 . 1 1 105 105 PHE N N 104 121.781 121.781 122.138 -0.357 17879 9772 1 15 . 1 1 105 105 PHE HA H 104 4.682 4.682 4.361 0.321 17879 9773 1 15 . 1 1 105 105 PHE C C 104 174.830 174.830 176.364 -1.534 17879 9774 1 15 . 1 1 105 105 PHE CA C 104 59.377 59.377 58.924 0.453 17879 9775 1 15 . 1 1 105 105 PHE CB C 104 39.938 39.938 38.836 1.102 17879 9776 1 15 . 1 1 105 105 PHE H H 104 9.600 9.600 7.620 1.980 17879 9777 1 15 . 1 1 106 106 LEU N N 105 119.929 119.929 123.554 -3.625 17879 9778 1 15 . 1 1 106 106 LEU HA H 105 4.897 4.897 4.303 0.594 17879 9779 1 15 . 1 1 106 106 LEU C C 105 173.947 173.947 176.138 -2.191 17879 9780 1 15 . 1 1 106 106 LEU CA C 105 53.463 53.463 55.716 -2.253 17879 9781 1 15 . 1 1 106 106 LEU CB C 105 45.066 45.066 43.035 2.031 17879 9782 1 15 . 1 1 106 106 LEU H H 105 8.376 8.376 8.016 0.360 17879 9783 1 15 . 1 1 107 107 TYR N N 106 127.637 127.637 118.216 9.421 17879 9784 1 15 . 1 1 107 107 TYR HA H 106 4.992 4.992 5.261 -0.269 17879 9785 1 15 . 1 1 107 107 TYR C C 106 176.099 176.099 175.158 0.941 17879 9786 1 15 . 1 1 107 107 TYR CA C 106 58.893 58.893 57.536 1.357 17879 9787 1 15 . 1 1 107 107 TYR CB C 106 38.140 38.140 40.392 -2.252 17879 9788 1 15 . 1 1 107 107 TYR H H 106 9.124 9.124 8.700 0.424 17879 9789 1 15 . 1 1 108 108 VAL N N 107 121.630 121.630 119.058 2.572 17879 9790 1 15 . 1 1 108 108 VAL HA H 107 5.135 5.135 5.245 -0.110 17879 9791 1 15 . 1 1 108 108 VAL C C 107 175.722 175.722 174.779 0.943 17879 9792 1 15 . 1 1 108 108 VAL CA C 107 59.587 59.587 59.089 0.498 17879 9793 1 15 . 1 1 108 108 VAL CB C 107 34.787 34.787 35.316 -0.529 17879 9794 1 15 . 1 1 108 108 VAL H H 107 9.560 9.560 8.783 0.777 17879 9795 1 15 . 1 1 109 109 THR N N 108 119.845 119.845 114.176 5.669 17879 9796 1 15 . 1 1 109 109 THR HA H 108 6.155 6.155 4.902 1.253 17879 9797 1 15 . 1 1 109 109 THR C C 108 174.158 174.158 173.792 0.366 17879 9798 1 15 . 1 1 109 109 THR CA C 108 59.869 59.869 62.392 -2.523 17879 9799 1 15 . 1 1 109 109 THR CB C 108 72.268 72.268 70.089 2.179 17879 9800 1 15 . 1 1 109 109 THR H H 108 9.061 9.061 8.228 0.833 17879 9801 1 15 . 1 1 110 110 TYR N N 109 119.706 119.706 126.699 -6.993 17879 9802 1 15 . 1 1 110 110 TYR HA H 109 6.332 6.332 5.707 0.625 17879 9803 1 15 . 1 1 110 110 TYR C C 109 173.366 173.366 173.934 -0.568 17879 9804 1 15 . 1 1 110 110 TYR CA C 109 54.655 54.655 54.983 -0.327 17879 9805 1 15 . 1 1 110 110 TYR CB C 109 42.250 42.250 39.383 2.867 17879 9806 1 15 . 1 1 110 110 TYR H H 109 8.461 8.461 9.384 -0.923 17879 9807 1 15 . 1 1 111 111 SER N N 110 112.907 112.907 120.079 -7.172 17879 9808 1 15 . 1 1 111 111 SER HA H 110 4.745 4.745 4.785 -0.040 17879 9809 1 15 . 1 1 111 111 SER C C 110 173.692 173.692 175.378 -1.686 17879 9810 1 15 . 1 1 111 111 SER CA C 110 56.044 56.044 55.134 0.910 17879 9811 1 15 . 1 1 111 111 SER CB C 110 66.177 66.177 65.870 0.307 17879 9812 1 15 . 1 1 111 111 SER H H 110 9.089 9.089 8.489 0.600 17879 9813 1 15 . 1 1 112 112 GLY N N 111 111.054 111.054 110.842 0.212 17879 9814 1 15 . 1 1 112 112 GLY C C 111 173.331 173.331 174.658 -1.327 17879 9815 1 15 . 1 1 112 112 GLY CA C 111 45.341 45.341 46.480 -1.139 17879 9816 1 15 . 1 1 112 112 GLY H H 111 8.443 8.443 9.155 -0.712 17879 9817 1 15 . 1 1 113 113 GLU N N 112 118.801 118.801 120.741 -1.940 17879 9818 1 15 . 1 1 113 113 GLU HA H 112 4.660 4.660 4.476 0.184 17879 9819 1 15 . 1 1 113 113 GLU C C 112 174.538 174.538 175.784 -1.246 17879 9820 1 15 . 1 1 113 113 GLU CA C 112 55.642 55.642 55.504 0.138 17879 9821 1 15 . 1 1 113 113 GLU CB C 112 32.930 32.930 30.928 2.002 17879 9822 1 15 . 1 1 113 113 GLU H H 112 8.413 8.413 7.695 0.718 17879 9823 1 15 . 1 1 114 114 ASN N N 113 118.152 118.152 119.545 -1.393 17879 9824 1 15 . 1 1 114 114 ASN HA H 113 4.187 4.187 4.752 -0.565 17879 9825 1 15 . 1 1 114 114 ASN C C 113 175.011 175.011 174.327 0.684 17879 9826 1 15 . 1 1 114 114 ASN CA C 113 51.910 51.910 52.807 -0.897 17879 9827 1 15 . 1 1 114 114 ASN CB C 113 36.865 36.865 37.219 -0.354 17879 9828 1 15 . 1 1 114 114 ASN H H 113 8.207 8.207 8.634 -0.427 17879 9829 1 15 . 1 1 115 115 THR N N 114 112.887 112.887 113.382 -0.495 17879 9830 1 15 . 1 1 115 115 THR HA H 114 4.190 4.190 4.575 -0.385 17879 9831 1 15 . 1 1 115 115 THR C C 114 173.575 173.575 172.902 0.673 17879 9832 1 15 . 1 1 115 115 THR CA C 114 61.149 61.149 61.313 -0.164 17879 9833 1 15 . 1 1 115 115 THR CB C 114 69.859 69.859 71.621 -1.762 17879 9834 1 15 . 1 1 115 115 THR H H 114 7.411 7.411 7.639 -0.228 17879 9835 1 15 . 1 1 116 116 PHE N N 115 121.474 121.474 119.503 1.971 17879 9836 1 15 . 1 1 116 116 PHE HA H 115 4.451 4.451 4.810 -0.359 17879 9837 1 15 . 1 1 116 116 PHE C C 115 175.078 175.078 175.258 -0.180 17879 9838 1 15 . 1 1 116 116 PHE CA C 115 57.681 57.681 56.212 1.469 17879 9839 1 15 . 1 1 116 116 PHE CB C 115 39.569 39.569 38.593 0.976 17879 9840 1 15 . 1 1 116 116 PHE H H 115 8.021 8.021 7.604 0.417 17879 9841 1 16 . 1 1 2 2 MET N N 1 122.410 122.410 118.704 3.706 17879 9842 1 16 . 1 1 2 2 MET HA H 1 4.455 4.455 4.765 -0.310 17879 9843 1 16 . 1 1 2 2 MET C C 1 175.655 175.655 175.519 0.136 17879 9844 1 16 . 1 1 2 2 MET CA C 1 55.438 55.438 54.465 0.973 17879 9845 1 16 . 1 1 2 2 MET CB C 1 33.126 33.126 34.733 -1.607 17879 9846 1 16 . 1 1 2 2 MET H H 1 8.425 8.425 7.952 0.473 17879 9847 1 16 . 1 1 3 3 LYS N N 2 123.656 123.656 118.796 4.860 17879 9848 1 16 . 1 1 3 3 LYS HA H 2 4.326 4.326 4.490 -0.164 17879 9849 1 16 . 1 1 3 3 LYS C C 2 176.266 176.266 175.623 0.643 17879 9850 1 16 . 1 1 3 3 LYS CA C 2 56.348 56.348 56.191 0.157 17879 9851 1 16 . 1 1 3 3 LYS CB C 2 33.219 33.219 34.022 -0.803 17879 9852 1 16 . 1 1 3 3 LYS H H 2 8.512 8.512 8.372 0.140 17879 9853 1 16 . 1 1 4 4 SER N N 3 118.350 118.350 116.408 1.942 17879 9854 1 16 . 1 1 4 4 SER HA H 3 4.631 4.631 4.564 0.067 17879 9855 1 16 . 1 1 4 4 SER C C 3 175.421 175.421 174.523 0.898 17879 9856 1 16 . 1 1 4 4 SER CA C 3 57.629 57.629 58.266 -0.637 17879 9857 1 16 . 1 1 4 4 SER CB C 3 64.079 64.079 64.463 -0.384 17879 9858 1 16 . 1 1 4 4 SER H H 3 8.426 8.426 7.716 0.710 17879 9859 1 16 . 1 1 5 5 THR N N 4 127.775 127.775 115.085 12.690 17879 9860 1 16 . 1 1 5 5 THR HA H 4 4.482 4.482 4.518 -0.036 17879 9861 1 16 . 1 1 5 5 THR C C 4 174.680 174.680 175.783 -1.103 17879 9862 1 16 . 1 1 5 5 THR CA C 4 62.001 62.001 62.265 -0.264 17879 9863 1 16 . 1 1 5 5 THR CB C 4 70.137 70.137 69.451 0.686 17879 9864 1 16 . 1 1 5 5 THR H H 4 9.971 9.971 8.509 1.462 17879 9865 1 16 . 1 1 6 6 PHE N N 5 123.021 123.021 122.864 0.157 17879 9866 1 16 . 1 1 6 6 PHE HA H 5 4.125 4.125 4.230 -0.105 17879 9867 1 16 . 1 1 6 6 PHE C C 5 177.064 177.064 175.123 1.941 17879 9868 1 16 . 1 1 6 6 PHE CA C 5 63.041 63.041 60.292 2.749 17879 9869 1 16 . 1 1 6 6 PHE CB C 5 40.828 40.828 39.230 1.598 17879 9870 1 16 . 1 1 6 6 PHE H H 5 8.863 8.863 8.784 0.079 17879 9871 1 16 . 1 1 7 7 LYS N N 6 114.006 114.006 116.103 -2.097 17879 9872 1 16 . 1 1 7 7 LYS HA H 6 3.916 3.916 4.136 -0.220 17879 9873 1 16 . 1 1 7 7 LYS C C 6 177.535 177.535 176.016 1.519 17879 9874 1 16 . 1 1 7 7 LYS CA C 6 60.026 60.026 56.996 3.030 17879 9875 1 16 . 1 1 7 7 LYS CB C 6 33.611 33.611 32.821 0.790 17879 9876 1 16 . 1 1 7 7 LYS H H 6 8.661 8.661 8.393 0.268 17879 9877 1 16 . 1 1 8 8 SER N N 7 111.149 111.149 113.738 -2.589 17879 9878 1 16 . 1 1 8 8 SER HA H 7 4.275 4.275 4.428 -0.153 17879 9879 1 16 . 1 1 8 8 SER C C 7 175.689 175.689 175.214 0.475 17879 9880 1 16 . 1 1 8 8 SER CA C 7 60.007 60.007 58.884 1.123 17879 9881 1 16 . 1 1 8 8 SER CB C 7 63.759 63.759 63.213 0.546 17879 9882 1 16 . 1 1 8 8 SER H H 7 7.552 7.552 7.832 -0.280 17879 9883 1 16 . 1 1 9 9 GLU N N 8 122.296 122.296 120.447 1.849 17879 9884 1 16 . 1 1 9 9 GLU HA H 8 3.818 3.818 4.087 -0.269 17879 9885 1 16 . 1 1 9 9 GLU C C 8 176.068 176.068 174.961 1.107 17879 9886 1 16 . 1 1 9 9 GLU CA C 8 58.137 58.137 57.079 1.058 17879 9887 1 16 . 1 1 9 9 GLU CB C 8 30.965 30.965 29.889 1.076 17879 9888 1 16 . 1 1 9 9 GLU H H 8 7.924 7.924 7.597 0.327 17879 9889 1 16 . 1 1 10 10 TYR N N 9 115.131 115.131 112.142 2.989 17879 9890 1 16 . 1 1 10 10 TYR HA H 9 5.066 5.066 4.831 0.235 17879 9891 1 16 . 1 1 10 10 TYR CA C 9 53.958 53.958 53.564 0.394 17879 9892 1 16 . 1 1 10 10 TYR CB C 9 41.055 41.055 37.925 3.130 17879 9893 1 16 . 1 1 10 10 TYR H H 9 7.052 7.052 6.688 0.364 17879 9894 1 16 . 1 1 11 11 PRO HA H 10 4.708 4.708 4.677 0.031 17879 9895 1 16 . 1 1 11 11 PRO C C 10 177.384 177.384 177.067 0.317 17879 9896 1 16 . 1 1 11 11 PRO CA C 10 62.279 62.279 62.228 0.051 17879 9897 1 16 . 1 1 11 11 PRO CB C 10 33.087 33.087 32.892 0.195 17879 9898 1 16 . 1 1 12 12 PHE N N 11 125.307 125.307 119.543 5.764 17879 9899 1 16 . 1 1 12 12 PHE HA H 11 3.883 3.883 4.417 -0.534 17879 9900 1 16 . 1 1 12 12 PHE C C 11 176.157 176.157 176.601 -0.444 17879 9901 1 16 . 1 1 12 12 PHE CA C 11 63.156 63.156 60.497 2.659 17879 9902 1 16 . 1 1 12 12 PHE CB C 11 39.935 39.935 39.412 0.523 17879 9903 1 16 . 1 1 12 12 PHE H H 11 9.385 9.385 8.661 0.724 17879 9904 1 16 . 1 1 13 13 GLU N N 12 115.356 115.356 117.580 -2.224 17879 9905 1 16 . 1 1 13 13 GLU HA H 12 3.857 3.857 4.104 -0.247 17879 9906 1 16 . 1 1 13 13 GLU C C 12 179.598 179.598 178.204 1.394 17879 9907 1 16 . 1 1 13 13 GLU CA C 12 60.317 60.317 58.254 2.063 17879 9908 1 16 . 1 1 13 13 GLU CB C 12 28.642 28.642 28.789 -0.147 17879 9909 1 16 . 1 1 13 13 GLU H H 12 9.800 9.800 8.997 0.803 17879 9910 1 16 . 1 1 14 14 LYS N N 13 118.194 118.194 120.861 -2.667 17879 9911 1 16 . 1 1 14 14 LYS HA H 13 4.246 4.246 4.075 0.171 17879 9912 1 16 . 1 1 14 14 LYS C C 13 178.804 178.804 178.081 0.723 17879 9913 1 16 . 1 1 14 14 LYS CA C 13 58.143 58.143 59.001 -0.858 17879 9914 1 16 . 1 1 14 14 LYS CB C 13 32.770 32.770 32.468 0.302 17879 9915 1 16 . 1 1 14 14 LYS H H 13 7.160 7.160 7.559 -0.399 17879 9916 1 16 . 1 1 15 15 ARG N N 14 120.949 120.949 118.958 1.991 17879 9917 1 16 . 1 1 15 15 ARG HA H 14 3.892 3.892 3.666 0.226 17879 9918 1 16 . 1 1 15 15 ARG C C 14 176.858 176.858 178.330 -1.472 17879 9919 1 16 . 1 1 15 15 ARG CA C 14 61.520 61.520 58.580 2.940 17879 9920 1 16 . 1 1 15 15 ARG CB C 14 32.840 32.840 29.107 3.733 17879 9921 1 16 . 1 1 15 15 ARG H H 14 7.686 7.686 7.764 -0.078 17879 9922 1 16 . 1 1 16 16 LYS N N 15 119.224 119.224 119.533 -0.309 17879 9923 1 16 . 1 1 16 16 LYS HA H 15 4.449 4.449 4.425 0.024 17879 9924 1 16 . 1 1 16 16 LYS C C 15 177.796 177.796 177.358 0.438 17879 9925 1 16 . 1 1 16 16 LYS CA C 15 57.366 57.366 58.529 -1.163 17879 9926 1 16 . 1 1 16 16 LYS CB C 15 32.529 32.529 31.724 0.805 17879 9927 1 16 . 1 1 16 16 LYS H H 15 8.667 8.667 7.533 1.134 17879 9928 1 16 . 1 1 17 17 ALA N N 16 117.777 117.777 120.632 -2.855 17879 9929 1 16 . 1 1 17 17 ALA HA H 16 4.164 4.164 4.201 -0.037 17879 9930 1 16 . 1 1 17 17 ALA C C 16 180.641 180.641 179.273 1.368 17879 9931 1 16 . 1 1 17 17 ALA CA C 16 54.627 54.627 54.331 0.296 17879 9932 1 16 . 1 1 17 17 ALA CB C 16 18.114 18.114 18.467 -0.353 17879 9933 1 16 . 1 1 17 17 ALA H H 16 7.305 7.305 7.211 0.094 17879 9934 1 16 . 1 1 18 18 GLU N N 17 119.934 119.934 119.158 0.776 17879 9935 1 16 . 1 1 18 18 GLU HA H 17 4.695 4.695 4.158 0.537 17879 9936 1 16 . 1 1 18 18 GLU C C 17 178.339 178.339 178.604 -0.265 17879 9937 1 16 . 1 1 18 18 GLU CA C 17 58.173 58.173 58.775 -0.602 17879 9938 1 16 . 1 1 18 18 GLU CB C 17 28.765 28.765 29.662 -0.897 17879 9939 1 16 . 1 1 18 18 GLU H H 17 7.849 7.849 8.567 -0.718 17879 9940 1 16 . 1 1 19 19 SER N N 18 117.685 117.685 113.966 3.719 17879 9941 1 16 . 1 1 19 19 SER HA H 18 3.542 3.542 4.337 -0.795 17879 9942 1 16 . 1 1 19 19 SER C C 18 178.206 178.206 176.686 1.520 17879 9943 1 16 . 1 1 19 19 SER CA C 18 62.108 62.108 60.983 1.125 17879 9944 1 16 . 1 1 19 19 SER CB C 18 59.839 59.839 63.057 -3.219 17879 9945 1 16 . 1 1 19 19 SER H H 18 8.785 8.785 8.262 0.523 17879 9946 1 16 . 1 1 20 20 GLU N N 19 124.346 124.346 120.788 3.558 17879 9947 1 16 . 1 1 20 20 GLU HA H 19 3.988 3.988 4.253 -0.265 17879 9948 1 16 . 1 1 20 20 GLU C C 19 178.788 178.788 177.352 1.436 17879 9949 1 16 . 1 1 20 20 GLU CA C 19 59.701 59.701 58.651 1.050 17879 9950 1 16 . 1 1 20 20 GLU CB C 19 29.318 29.318 29.993 -0.675 17879 9951 1 16 . 1 1 20 20 GLU H H 19 8.052 8.052 8.230 -0.178 17879 9952 1 16 . 1 1 21 21 ARG N N 20 122.089 122.089 117.370 4.719 17879 9953 1 16 . 1 1 21 21 ARG HA H 20 4.093 4.093 4.433 -0.340 17879 9954 1 16 . 1 1 21 21 ARG C C 20 179.458 179.458 178.036 1.422 17879 9955 1 16 . 1 1 21 21 ARG CA C 20 59.500 59.500 57.832 1.668 17879 9956 1 16 . 1 1 21 21 ARG CB C 20 30.412 30.412 30.997 -0.585 17879 9957 1 16 . 1 1 21 21 ARG H H 20 7.958 7.958 7.481 0.477 17879 9958 1 16 . 1 1 22 22 ILE N N 21 119.893 119.893 121.281 -1.388 17879 9959 1 16 . 1 1 22 22 ILE HA H 21 3.623 3.623 3.792 -0.169 17879 9960 1 16 . 1 1 22 22 ILE C C 21 176.842 176.842 177.372 -0.530 17879 9961 1 16 . 1 1 22 22 ILE CA C 21 65.145 65.145 64.605 0.540 17879 9962 1 16 . 1 1 22 22 ILE CB C 21 38.195 38.195 37.823 0.372 17879 9963 1 16 . 1 1 22 22 ILE H H 21 8.277 8.277 8.675 -0.398 17879 9964 1 16 . 1 1 23 23 ALA N N 22 121.816 121.816 120.893 0.923 17879 9965 1 16 . 1 1 23 23 ALA HA H 22 4.071 4.071 4.085 -0.014 17879 9966 1 16 . 1 1 23 23 ALA C C 22 179.199 179.199 177.828 1.371 17879 9967 1 16 . 1 1 23 23 ALA CA C 22 54.519 54.519 54.233 0.286 17879 9968 1 16 . 1 1 23 23 ALA CB C 22 18.001 18.001 18.455 -0.454 17879 9969 1 16 . 1 1 23 23 ALA H H 22 7.962 7.962 8.103 -0.141 17879 9970 1 16 . 1 1 24 24 ASP N N 23 114.866 114.866 117.445 -2.579 17879 9971 1 16 . 1 1 24 24 ASP HA H 23 4.401 4.401 4.551 -0.150 17879 9972 1 16 . 1 1 24 24 ASP C C 23 177.324 177.324 177.940 -0.616 17879 9973 1 16 . 1 1 24 24 ASP CA C 23 56.248 56.248 54.752 1.496 17879 9974 1 16 . 1 1 24 24 ASP CB C 23 42.193 42.193 41.722 0.471 17879 9975 1 16 . 1 1 24 24 ASP H H 23 7.368 7.368 7.837 -0.469 17879 9976 1 16 . 1 1 25 25 ARG N N 24 116.868 116.868 118.674 -1.806 17879 9977 1 16 . 1 1 25 25 ARG HA H 24 3.922 3.922 3.866 0.056 17879 9978 1 16 . 1 1 25 25 ARG C C 24 176.266 176.266 176.026 0.240 17879 9979 1 16 . 1 1 25 25 ARG CA C 24 57.158 57.158 58.209 -1.051 17879 9980 1 16 . 1 1 25 25 ARG CB C 24 31.477 31.477 30.909 0.568 17879 9981 1 16 . 1 1 25 25 ARG H H 24 7.815 7.815 7.688 0.127 17879 9982 1 16 . 1 1 26 26 PHE N N 25 116.737 116.737 115.322 1.415 17879 9983 1 16 . 1 1 26 26 PHE HA H 25 5.084 5.084 5.000 0.084 17879 9984 1 16 . 1 1 26 26 PHE CA C 25 54.304 54.304 54.298 0.006 17879 9985 1 16 . 1 1 26 26 PHE CB C 25 39.026 39.026 39.516 -0.490 17879 9986 1 16 . 1 1 26 26 PHE H H 25 8.658 8.658 7.851 0.807 17879 9987 1 16 . 1 1 27 27 PRO HA H 26 4.503 4.503 4.371 0.132 17879 9988 1 16 . 1 1 27 27 PRO C C 26 177.538 177.538 176.407 1.131 17879 9989 1 16 . 1 1 27 27 PRO CA C 26 64.394 64.394 64.491 -0.097 17879 9990 1 16 . 1 1 27 27 PRO CB C 26 31.961 31.961 31.846 0.115 17879 9991 1 16 . 1 1 28 28 ASN N N 27 114.596 114.596 113.033 1.563 17879 9992 1 16 . 1 1 28 28 ASN HA H 27 4.725 4.725 4.769 -0.044 17879 9993 1 16 . 1 1 28 28 ASN C C 27 174.678 174.678 174.097 0.581 17879 9994 1 16 . 1 1 28 28 ASN CA C 27 52.868 52.868 51.549 1.319 17879 9995 1 16 . 1 1 28 28 ASN CB C 27 38.331 38.331 38.062 0.269 17879 9996 1 16 . 1 1 28 28 ASN H H 27 8.537 8.537 8.450 0.087 17879 9997 1 16 . 1 1 29 29 ARG N N 28 116.946 116.946 119.900 -2.954 17879 9998 1 16 . 1 1 29 29 ARG HA H 28 4.769 4.769 4.552 0.217 17879 9999 1 16 . 1 1 29 29 ARG C C 28 174.469 174.469 174.625 -0.156 17879 10000 1 16 . 1 1 29 29 ARG CA C 28 52.948 52.948 54.551 -1.603 17879 10001 1 16 . 1 1 29 29 ARG CB C 28 32.941 32.941 33.379 -0.438 17879 10002 1 16 . 1 1 29 29 ARG H H 28 7.580 7.580 7.484 0.096 17879 10003 1 16 . 1 1 30 30 ILE N N 29 121.854 121.854 120.292 1.562 17879 10004 1 16 . 1 1 30 30 ILE HA H 29 4.098 4.098 3.901 0.197 17879 10005 1 16 . 1 1 30 30 ILE CA C 29 55.558 55.558 57.400 -1.842 17879 10006 1 16 . 1 1 30 30 ILE CB C 29 38.805 38.805 39.968 -1.163 17879 10007 1 16 . 1 1 30 30 ILE H H 29 9.262 9.262 8.606 0.656 17879 10008 1 16 . 1 1 31 31 PRO HA H 30 4.856 4.856 4.447 0.409 17879 10009 1 16 . 1 1 31 31 PRO C C 30 174.121 174.121 175.318 -1.197 17879 10010 1 16 . 1 1 31 31 PRO CA C 30 61.705 61.705 62.081 -0.376 17879 10011 1 16 . 1 1 31 31 PRO CB C 30 30.966 30.966 30.925 0.041 17879 10012 1 16 . 1 1 32 32 VAL N N 31 127.197 127.197 123.618 3.579 17879 10013 1 16 . 1 1 32 32 VAL HA H 31 4.997 4.997 4.595 0.402 17879 10014 1 16 . 1 1 32 32 VAL C C 31 174.181 174.181 173.399 0.782 17879 10015 1 16 . 1 1 32 32 VAL CA C 31 60.620 60.620 59.380 1.240 17879 10016 1 16 . 1 1 32 32 VAL CB C 31 35.645 35.645 35.901 -0.256 17879 10017 1 16 . 1 1 32 32 VAL H H 31 9.096 9.096 8.986 0.110 17879 10018 1 16 . 1 1 33 33 ILE N N 32 127.157 127.157 126.298 0.859 17879 10019 1 16 . 1 1 33 33 ILE HA H 32 4.917 4.917 4.583 0.334 17879 10020 1 16 . 1 1 33 33 ILE C C 32 174.991 174.991 175.025 -0.034 17879 10021 1 16 . 1 1 33 33 ILE CA C 32 56.589 56.589 58.089 -1.500 17879 10022 1 16 . 1 1 33 33 ILE CB C 32 35.908 35.908 37.300 -1.391 17879 10023 1 16 . 1 1 33 33 ILE H H 32 8.775 8.775 8.530 0.245 17879 10024 1 16 . 1 1 34 34 CYS N N 33 129.280 129.280 128.355 0.925 17879 10025 1 16 . 1 1 34 34 CYS HA H 33 5.559 5.559 4.664 0.895 17879 10026 1 16 . 1 1 34 34 CYS C C 33 173.218 173.218 173.403 -0.185 17879 10027 1 16 . 1 1 34 34 CYS CA C 33 57.121 57.121 58.692 -1.571 17879 10028 1 16 . 1 1 34 34 CYS CB C 33 28.880 28.880 29.155 -0.275 17879 10029 1 16 . 1 1 34 34 CYS H H 33 9.738 9.738 9.389 0.349 17879 10030 1 16 . 1 1 35 35 GLU N N 34 124.130 124.130 126.800 -2.670 17879 10031 1 16 . 1 1 35 35 GLU HA H 34 4.977 4.977 4.794 0.183 17879 10032 1 16 . 1 1 35 35 GLU C C 34 174.190 174.190 174.154 0.036 17879 10033 1 16 . 1 1 35 35 GLU CA C 34 54.308 54.308 54.341 -0.033 17879 10034 1 16 . 1 1 35 35 GLU CB C 34 35.281 35.281 33.602 1.679 17879 10035 1 16 . 1 1 35 35 GLU H H 34 8.531 8.531 8.438 0.093 17879 10036 1 16 . 1 1 36 36 LYS N N 35 123.562 123.562 122.542 1.020 17879 10037 1 16 . 1 1 36 36 LYS HA H 35 3.056 3.056 4.145 -1.089 17879 10038 1 16 . 1 1 36 36 LYS C C 35 177.452 177.452 175.891 1.561 17879 10039 1 16 . 1 1 36 36 LYS CA C 35 56.374 56.374 53.539 2.834 17879 10040 1 16 . 1 1 36 36 LYS CB C 35 32.750 32.750 33.284 -0.534 17879 10041 1 16 . 1 1 36 36 LYS H H 35 8.949 8.949 8.517 0.432 17879 10042 1 16 . 1 1 37 37 ALA N N 36 129.494 129.494 129.367 0.127 17879 10043 1 16 . 1 1 37 37 ALA HA H 36 4.163 4.163 4.318 -0.155 17879 10044 1 16 . 1 1 37 37 ALA C C 36 178.375 178.375 177.756 0.619 17879 10045 1 16 . 1 1 37 37 ALA CA C 36 52.702 52.702 52.270 0.432 17879 10046 1 16 . 1 1 37 37 ALA CB C 36 18.673 18.673 19.653 -0.980 17879 10047 1 16 . 1 1 37 37 ALA H H 36 8.561 8.561 7.723 0.838 17879 10048 1 16 . 1 1 38 38 GLU N N 37 125.115 125.115 123.497 1.618 17879 10049 1 16 . 1 1 38 38 GLU HA H 37 3.959 3.959 3.934 0.025 17879 10050 1 16 . 1 1 38 38 GLU C C 37 177.516 177.516 177.286 0.230 17879 10051 1 16 . 1 1 38 38 GLU CA C 37 59.302 59.302 58.718 0.584 17879 10052 1 16 . 1 1 38 38 GLU CB C 37 30.154 30.154 29.329 0.825 17879 10053 1 16 . 1 1 38 38 GLU H H 37 8.648 8.648 8.721 -0.073 17879 10054 1 16 . 1 1 39 39 LYS N N 38 115.020 115.020 119.242 -4.222 17879 10055 1 16 . 1 1 39 39 LYS HA H 38 4.188 4.188 4.015 0.173 17879 10056 1 16 . 1 1 39 39 LYS C C 38 176.244 176.244 177.536 -1.292 17879 10057 1 16 . 1 1 39 39 LYS CA C 38 56.564 56.564 57.889 -1.325 17879 10058 1 16 . 1 1 39 39 LYS CB C 38 31.484 31.484 31.845 -0.361 17879 10059 1 16 . 1 1 39 39 LYS H H 38 8.494 8.494 8.106 0.388 17879 10060 1 16 . 1 1 40 40 SER N N 39 113.091 113.091 114.150 -1.059 17879 10061 1 16 . 1 1 40 40 SER HA H 39 4.535 4.535 4.292 0.243 17879 10062 1 16 . 1 1 40 40 SER C C 39 174.896 174.896 174.108 0.788 17879 10063 1 16 . 1 1 40 40 SER CA C 39 57.985 57.985 58.386 -0.401 17879 10064 1 16 . 1 1 40 40 SER CB C 39 65.000 65.000 63.628 1.372 17879 10065 1 16 . 1 1 40 40 SER H H 39 7.346 7.346 8.097 -0.751 17879 10066 1 16 . 1 1 41 41 ASP N N 40 127.375 127.375 119.937 7.438 17879 10067 1 16 . 1 1 41 41 ASP HA H 40 4.782 4.782 4.882 -0.100 17879 10068 1 16 . 1 1 41 41 ASP C C 40 175.205 175.205 176.500 -1.295 17879 10069 1 16 . 1 1 41 41 ASP CA C 40 53.549 53.549 54.010 -0.461 17879 10070 1 16 . 1 1 41 41 ASP CB C 40 39.916 39.916 41.275 -1.359 17879 10071 1 16 . 1 1 41 41 ASP H H 40 8.744 8.744 8.330 0.414 17879 10072 1 16 . 1 1 42 42 ILE N N 41 122.943 122.943 119.769 3.174 17879 10073 1 16 . 1 1 42 42 ILE HA H 41 4.661 4.661 4.495 0.166 17879 10074 1 16 . 1 1 42 42 ILE CA C 41 59.133 59.133 58.863 0.270 17879 10075 1 16 . 1 1 42 42 ILE CB C 41 40.534 40.534 38.377 2.157 17879 10076 1 16 . 1 1 42 42 ILE H H 41 7.649 7.649 7.981 -0.332 17879 10077 1 16 . 1 1 43 43 PRO HA H 42 4.414 4.414 4.560 -0.146 17879 10078 1 16 . 1 1 43 43 PRO C C 42 175.952 175.952 176.219 -0.267 17879 10079 1 16 . 1 1 43 43 PRO CA C 42 63.829 63.829 62.632 1.197 17879 10080 1 16 . 1 1 43 43 PRO CB C 42 32.895 32.895 32.214 0.681 17879 10081 1 16 . 1 1 44 44 GLU N N 43 120.369 120.369 123.180 -2.811 17879 10082 1 16 . 1 1 44 44 GLU HA H 43 4.298 4.298 4.203 0.095 17879 10083 1 16 . 1 1 44 44 GLU C C 43 175.316 175.316 176.579 -1.263 17879 10084 1 16 . 1 1 44 44 GLU CA C 43 56.400 56.400 56.960 -0.560 17879 10085 1 16 . 1 1 44 44 GLU CB C 43 31.282 31.282 30.641 0.641 17879 10086 1 16 . 1 1 44 44 GLU H H 43 8.393 8.393 8.472 -0.079 17879 10087 1 16 . 1 1 45 45 ILE N N 44 123.670 123.670 123.114 0.556 17879 10088 1 16 . 1 1 45 45 ILE HA H 44 4.419 4.419 4.267 0.152 17879 10089 1 16 . 1 1 45 45 ILE C C 44 174.786 174.786 176.375 -1.589 17879 10090 1 16 . 1 1 45 45 ILE CA C 44 61.027 61.027 60.687 0.340 17879 10091 1 16 . 1 1 45 45 ILE CB C 44 40.509 40.509 39.778 0.731 17879 10092 1 16 . 1 1 45 45 ILE H H 44 8.067 8.067 8.154 -0.087 17879 10093 1 16 . 1 1 46 46 ASP N N 45 123.340 123.340 123.508 -0.168 17879 10094 1 16 . 1 1 46 46 ASP HA H 45 4.412 4.412 4.492 -0.080 17879 10095 1 16 . 1 1 46 46 ASP C C 45 175.494 175.494 175.963 -0.469 17879 10096 1 16 . 1 1 46 46 ASP CA C 45 55.467 55.467 56.633 -1.165 17879 10097 1 16 . 1 1 46 46 ASP CB C 45 40.320 40.320 41.199 -0.879 17879 10098 1 16 . 1 1 46 46 ASP H H 45 8.468 8.468 8.893 -0.425 17879 10099 1 16 . 1 1 47 47 LYS N N 46 121.295 121.295 112.809 8.486 17879 10100 1 16 . 1 1 47 47 LYS HA H 46 4.428 4.428 4.947 -0.519 17879 10101 1 16 . 1 1 47 47 LYS CA C 46 56.020 56.020 54.024 1.996 17879 10102 1 16 . 1 1 47 47 LYS CB C 46 34.644 34.644 35.627 -0.983 17879 10103 1 16 . 1 1 47 47 LYS H H 46 7.319 7.319 7.594 -0.275 17879 10104 1 16 . 1 1 48 48 ARG N N 47 124.949 124.949 120.326 4.623 17879 10105 1 16 . 1 1 48 48 ARG HA H 47 5.271 5.271 4.917 0.354 17879 10106 1 16 . 1 1 48 48 ARG C C 47 173.546 173.546 174.953 -1.407 17879 10107 1 16 . 1 1 48 48 ARG CA C 47 55.581 55.581 55.412 0.169 17879 10108 1 16 . 1 1 48 48 ARG CB C 47 32.992 32.992 30.498 2.494 17879 10109 1 16 . 1 1 48 48 ARG H H 47 8.558 8.558 8.319 0.239 17879 10110 1 16 . 1 1 49 49 LYS N N 48 122.812 122.812 124.026 -1.214 17879 10111 1 16 . 1 1 49 49 LYS HA H 48 5.030 5.030 4.194 0.836 17879 10112 1 16 . 1 1 49 49 LYS C C 48 174.301 174.301 174.478 -0.177 17879 10113 1 16 . 1 1 49 49 LYS CA C 48 55.042 55.042 56.039 -0.997 17879 10114 1 16 . 1 1 49 49 LYS CB C 48 34.065 34.065 34.388 -0.323 17879 10115 1 16 . 1 1 49 49 LYS H H 48 7.440 7.440 7.978 -0.538 17879 10116 1 16 . 1 1 50 50 TYR N N 49 124.842 124.842 124.864 -0.022 17879 10117 1 16 . 1 1 50 50 TYR HA H 49 4.721 4.721 4.586 0.135 17879 10118 1 16 . 1 1 50 50 TYR C C 49 173.674 173.674 174.045 -0.371 17879 10119 1 16 . 1 1 50 50 TYR CA C 49 57.192 57.192 57.542 -0.350 17879 10120 1 16 . 1 1 50 50 TYR CB C 49 43.123 43.123 42.098 1.025 17879 10121 1 16 . 1 1 50 50 TYR H H 49 9.590 9.590 9.402 0.188 17879 10122 1 16 . 1 1 51 51 LEU N N 50 124.138 124.138 127.382 -3.244 17879 10123 1 16 . 1 1 51 51 LEU HA H 50 4.753 4.753 4.708 0.045 17879 10124 1 16 . 1 1 51 51 LEU C C 50 176.050 176.050 175.602 0.448 17879 10125 1 16 . 1 1 51 51 LEU CA C 50 53.158 53.158 53.366 -0.208 17879 10126 1 16 . 1 1 51 51 LEU CB C 50 41.155 41.155 41.566 -0.411 17879 10127 1 16 . 1 1 51 51 LEU H H 50 8.901 8.901 8.534 0.367 17879 10128 1 16 . 1 1 52 52 VAL N N 51 123.181 123.181 119.586 3.595 17879 10129 1 16 . 1 1 52 52 VAL HA H 51 3.948 3.948 4.603 -0.655 17879 10130 1 16 . 1 1 52 52 VAL CA C 51 59.724 59.724 58.829 0.895 17879 10131 1 16 . 1 1 52 52 VAL CB C 51 33.605 33.605 32.065 1.540 17879 10132 1 16 . 1 1 52 52 VAL H H 51 8.513 8.513 7.839 0.674 17879 10133 1 16 . 1 1 53 53 PRO HA H 52 4.305 4.305 4.327 -0.022 17879 10134 1 16 . 1 1 53 53 PRO C C 52 176.607 176.607 175.975 0.632 17879 10135 1 16 . 1 1 53 53 PRO CA C 52 63.950 63.950 62.058 1.892 17879 10136 1 16 . 1 1 53 53 PRO CB C 52 32.163 32.163 32.462 -0.299 17879 10137 1 16 . 1 1 54 54 ALA N N 53 123.771 123.771 120.103 3.668 17879 10138 1 16 . 1 1 54 54 ALA HA H 53 3.720 3.720 4.138 -0.418 17879 10139 1 16 . 1 1 54 54 ALA C C 53 176.409 176.409 176.981 -0.572 17879 10140 1 16 . 1 1 54 54 ALA CA C 53 54.742 54.742 52.609 2.133 17879 10141 1 16 . 1 1 54 54 ALA CB C 53 18.948 18.948 19.327 -0.379 17879 10142 1 16 . 1 1 54 54 ALA H H 53 7.926 7.926 7.919 0.007 17879 10143 1 16 . 1 1 55 55 ASP N N 54 111.152 111.152 118.027 -6.875 17879 10144 1 16 . 1 1 55 55 ASP HA H 54 4.621 4.621 4.651 -0.030 17879 10145 1 16 . 1 1 55 55 ASP C C 54 175.823 175.823 175.702 0.121 17879 10146 1 16 . 1 1 55 55 ASP CA C 54 52.744 52.744 55.165 -2.421 17879 10147 1 16 . 1 1 55 55 ASP CB C 54 39.861 39.861 41.141 -1.280 17879 10148 1 16 . 1 1 55 55 ASP H H 54 8.106 8.106 8.133 -0.027 17879 10149 1 16 . 1 1 56 56 LEU N N 55 121.263 121.263 120.896 0.367 17879 10150 1 16 . 1 1 56 56 LEU HA H 55 4.351 4.351 4.302 0.049 17879 10151 1 16 . 1 1 56 56 LEU C C 55 177.459 177.459 176.354 1.105 17879 10152 1 16 . 1 1 56 56 LEU CA C 55 55.472 55.472 55.759 -0.287 17879 10153 1 16 . 1 1 56 56 LEU CB C 55 43.593 43.593 43.615 -0.022 17879 10154 1 16 . 1 1 56 56 LEU H H 55 7.295 7.295 7.713 -0.418 17879 10155 1 16 . 1 1 57 57 THR N N 56 114.222 114.222 115.274 -1.052 17879 10156 1 16 . 1 1 57 57 THR HA H 56 5.233 5.233 4.610 0.623 17879 10157 1 16 . 1 1 57 57 THR C C 56 176.538 176.538 175.700 0.838 17879 10158 1 16 . 1 1 57 57 THR CA C 56 60.318 60.318 60.769 -0.451 17879 10159 1 16 . 1 1 57 57 THR CB C 56 71.303 71.303 70.666 0.637 17879 10160 1 16 . 1 1 57 57 THR H H 56 8.476 8.476 8.168 0.308 17879 10161 1 16 . 1 1 58 58 VAL N N 57 122.331 122.331 121.671 0.660 17879 10162 1 16 . 1 1 58 58 VAL HA H 57 3.738 3.738 3.867 -0.129 17879 10163 1 16 . 1 1 58 58 VAL C C 57 178.743 178.743 178.005 0.738 17879 10164 1 16 . 1 1 58 58 VAL CA C 57 66.797 66.797 66.571 0.226 17879 10165 1 16 . 1 1 58 58 VAL CB C 57 31.801 31.801 31.719 0.082 17879 10166 1 16 . 1 1 58 58 VAL H H 57 8.806 8.806 8.344 0.462 17879 10167 1 16 . 1 1 59 59 GLY N N 58 105.470 105.470 105.478 -0.008 17879 10168 1 16 . 1 1 59 59 GLY C C 58 176.924 176.924 176.151 0.773 17879 10169 1 16 . 1 1 59 59 GLY CA C 58 47.317 47.317 46.895 0.422 17879 10170 1 16 . 1 1 59 59 GLY H H 58 9.381 9.381 7.693 1.688 17879 10171 1 16 . 1 1 60 60 GLN N N 59 121.492 121.492 120.185 1.307 17879 10172 1 16 . 1 1 60 60 GLN HA H 59 4.166 4.166 4.272 -0.106 17879 10173 1 16 . 1 1 60 60 GLN C C 59 178.605 178.605 178.394 0.211 17879 10174 1 16 . 1 1 60 60 GLN CA C 59 58.764 58.764 57.759 1.005 17879 10175 1 16 . 1 1 60 60 GLN CB C 59 29.129 29.129 28.880 0.249 17879 10176 1 16 . 1 1 60 60 GLN H H 59 8.027 8.027 7.716 0.311 17879 10177 1 16 . 1 1 61 61 PHE N N 60 122.595 122.595 121.958 0.637 17879 10178 1 16 . 1 1 61 61 PHE HA H 60 4.291 4.291 4.330 -0.039 17879 10179 1 16 . 1 1 61 61 PHE C C 60 176.690 176.690 176.739 -0.049 17879 10180 1 16 . 1 1 61 61 PHE CA C 60 61.502 61.502 59.876 1.626 17879 10181 1 16 . 1 1 61 61 PHE CB C 60 39.155 39.155 39.195 -0.040 17879 10182 1 16 . 1 1 61 61 PHE H H 60 8.522 8.522 8.178 0.344 17879 10183 1 16 . 1 1 62 62 VAL N N 61 118.720 118.720 119.247 -0.527 17879 10184 1 16 . 1 1 62 62 VAL HA H 61 3.070 3.070 3.128 -0.058 17879 10185 1 16 . 1 1 62 62 VAL C C 61 176.872 176.872 177.117 -0.245 17879 10186 1 16 . 1 1 62 62 VAL CA C 61 67.040 67.040 66.532 0.508 17879 10187 1 16 . 1 1 62 62 VAL CB C 61 31.119 31.119 31.349 -0.230 17879 10188 1 16 . 1 1 62 62 VAL H H 61 8.705 8.705 8.269 0.436 17879 10189 1 16 . 1 1 63 63 TYR N N 62 118.462 118.462 119.676 -1.214 17879 10190 1 16 . 1 1 63 63 TYR HA H 62 3.987 3.987 4.067 -0.080 17879 10191 1 16 . 1 1 63 63 TYR C C 62 177.325 177.325 176.383 0.942 17879 10192 1 16 . 1 1 63 63 TYR CA C 62 61.685 61.685 60.884 0.801 17879 10193 1 16 . 1 1 63 63 TYR CB C 62 37.906 37.906 37.884 0.022 17879 10194 1 16 . 1 1 63 63 TYR H H 62 7.373 7.373 7.730 -0.357 17879 10195 1 16 . 1 1 64 64 VAL N N 63 119.137 119.137 117.512 1.625 17879 10196 1 16 . 1 1 64 64 VAL HA H 63 3.342 3.342 3.122 0.220 17879 10197 1 16 . 1 1 64 64 VAL C C 63 178.326 178.326 177.856 0.470 17879 10198 1 16 . 1 1 64 64 VAL CA C 63 66.615 66.615 65.430 1.185 17879 10199 1 16 . 1 1 64 64 VAL CB C 63 31.157 31.157 31.231 -0.074 17879 10200 1 16 . 1 1 64 64 VAL H H 63 7.376 7.376 7.531 -0.155 17879 10201 1 16 . 1 1 65 65 ILE N N 64 118.858 118.858 118.768 0.090 17879 10202 1 16 . 1 1 65 65 ILE HA H 64 3.279 3.279 3.709 -0.430 17879 10203 1 16 . 1 1 65 65 ILE C C 64 177.653 177.653 178.399 -0.746 17879 10204 1 16 . 1 1 65 65 ILE CA C 64 63.682 63.682 61.662 2.020 17879 10205 1 16 . 1 1 65 65 ILE CB C 64 36.150 36.150 35.816 0.334 17879 10206 1 16 . 1 1 65 65 ILE H H 64 7.366 7.366 6.677 0.689 17879 10207 1 16 . 1 1 66 66 ARG N N 65 118.729 118.729 118.550 0.179 17879 10208 1 16 . 1 1 66 66 ARG HA H 65 3.397 3.397 4.005 -0.608 17879 10209 1 16 . 1 1 66 66 ARG C C 65 178.284 178.284 177.389 0.895 17879 10210 1 16 . 1 1 66 66 ARG CA C 65 60.078 60.078 57.859 2.219 17879 10211 1 16 . 1 1 66 66 ARG CB C 65 30.022 30.022 29.805 0.217 17879 10212 1 16 . 1 1 66 66 ARG H H 65 8.463 8.463 8.214 0.249 17879 10213 1 16 . 1 1 67 67 LYS N N 66 116.643 116.643 118.410 -1.767 17879 10214 1 16 . 1 1 67 67 LYS HA H 66 3.951 3.951 4.150 -0.199 17879 10215 1 16 . 1 1 67 67 LYS C C 66 178.989 178.989 178.508 0.481 17879 10216 1 16 . 1 1 67 67 LYS CA C 66 58.347 58.347 58.228 0.119 17879 10217 1 16 . 1 1 67 67 LYS CB C 66 31.938 31.938 32.368 -0.430 17879 10218 1 16 . 1 1 67 67 LYS H H 66 7.536 7.536 7.450 0.086 17879 10219 1 16 . 1 1 68 68 ARG N N 67 119.051 119.051 118.146 0.905 17879 10220 1 16 . 1 1 68 68 ARG HA H 67 4.104 4.104 4.099 0.005 17879 10221 1 16 . 1 1 68 68 ARG C C 67 178.122 178.122 178.130 -0.008 17879 10222 1 16 . 1 1 68 68 ARG CA C 67 58.182 58.182 58.399 -0.217 17879 10223 1 16 . 1 1 68 68 ARG CB C 67 30.273 30.273 30.776 -0.503 17879 10224 1 16 . 1 1 68 68 ARG H H 67 7.783 7.783 7.631 0.152 17879 10225 1 16 . 1 1 69 69 ILE N N 68 112.456 112.456 111.078 1.378 17879 10226 1 16 . 1 1 69 69 ILE HA H 68 4.223 4.223 4.387 -0.164 17879 10227 1 16 . 1 1 69 69 ILE C C 68 174.568 174.568 175.222 -0.654 17879 10228 1 16 . 1 1 69 69 ILE CA C 68 61.502 61.502 60.084 1.418 17879 10229 1 16 . 1 1 69 69 ILE CB C 68 38.643 38.643 38.502 0.141 17879 10230 1 16 . 1 1 69 69 ILE H H 68 7.675 7.675 7.278 0.397 17879 10231 1 16 . 1 1 70 70 MET N N 69 118.509 118.509 113.793 4.716 17879 10232 1 16 . 1 1 70 70 MET HA H 69 3.982 3.982 4.132 -0.150 17879 10233 1 16 . 1 1 70 70 MET C C 69 175.482 175.482 175.035 0.447 17879 10234 1 16 . 1 1 70 70 MET CA C 69 55.811 55.811 56.075 -0.264 17879 10235 1 16 . 1 1 70 70 MET CB C 69 29.392 29.392 30.359 -0.967 17879 10236 1 16 . 1 1 70 70 MET H H 69 7.805 7.805 7.089 0.716 17879 10237 1 16 . 1 1 71 71 LEU N N 70 121.952 121.952 120.892 1.060 17879 10238 1 16 . 1 1 71 71 LEU HA H 70 4.603 4.603 4.300 0.303 17879 10239 1 16 . 1 1 71 71 LEU CA C 70 52.560 52.560 54.166 -1.606 17879 10240 1 16 . 1 1 71 71 LEU CB C 70 44.045 44.045 41.793 2.252 17879 10241 1 16 . 1 1 71 71 LEU H H 70 7.493 7.493 7.478 0.015 17879 10242 1 16 . 1 1 72 72 PRO HA H 71 4.678 4.678 4.813 -0.135 17879 10243 1 16 . 1 1 72 72 PRO CA C 71 62.124 62.124 61.103 1.020 17879 10244 1 16 . 1 1 72 72 PRO CB C 71 31.307 31.307 31.037 0.270 17879 10245 1 16 . 1 1 73 73 PRO HA H 72 4.123 4.123 4.380 -0.257 17879 10246 1 16 . 1 1 73 73 PRO C C 72 177.052 177.052 176.680 0.372 17879 10247 1 16 . 1 1 73 73 PRO CA C 72 64.924 64.924 64.296 0.628 17879 10248 1 16 . 1 1 73 73 PRO CB C 72 32.049 32.049 32.028 0.021 17879 10249 1 16 . 1 1 74 74 GLU N N 73 115.091 115.091 116.207 -1.116 17879 10250 1 16 . 1 1 74 74 GLU HA H 73 4.181 4.181 4.312 -0.131 17879 10251 1 16 . 1 1 74 74 GLU C C 73 176.459 176.459 176.608 -0.149 17879 10252 1 16 . 1 1 74 74 GLU CA C 73 57.774 57.774 56.456 1.318 17879 10253 1 16 . 1 1 74 74 GLU CB C 73 28.321 28.321 28.982 -0.661 17879 10254 1 16 . 1 1 74 74 GLU H H 73 9.065 9.065 8.629 0.436 17879 10255 1 16 . 1 1 75 75 LYS N N 74 121.755 121.755 119.434 2.321 17879 10256 1 16 . 1 1 75 75 LYS HA H 74 4.520 4.520 4.564 -0.044 17879 10257 1 16 . 1 1 75 75 LYS C C 74 174.789 174.789 174.528 0.261 17879 10258 1 16 . 1 1 75 75 LYS CA C 74 54.789 54.789 54.919 -0.130 17879 10259 1 16 . 1 1 75 75 LYS CB C 74 32.882 32.882 35.719 -2.837 17879 10260 1 16 . 1 1 75 75 LYS H H 74 7.797 7.797 7.420 0.378 17879 10261 1 16 . 1 1 76 76 ALA N N 75 127.848 127.848 121.253 6.595 17879 10262 1 16 . 1 1 76 76 ALA HA H 75 4.072 4.072 4.615 -0.543 17879 10263 1 16 . 1 1 76 76 ALA C C 75 175.710 175.710 174.928 0.782 17879 10264 1 16 . 1 1 76 76 ALA CA C 75 52.226 52.226 51.334 0.893 17879 10265 1 16 . 1 1 76 76 ALA CB C 75 20.956 20.956 21.945 -0.989 17879 10266 1 16 . 1 1 76 76 ALA H H 75 8.410 8.410 8.376 0.034 17879 10267 1 16 . 1 1 77 77 ILE N N 76 114.298 114.298 121.120 -6.822 17879 10268 1 16 . 1 1 77 77 ILE HA H 76 4.593 4.593 5.180 -0.587 17879 10269 1 16 . 1 1 77 77 ILE C C 76 172.379 172.379 173.783 -1.404 17879 10270 1 16 . 1 1 77 77 ILE CA C 76 59.699 59.699 60.657 -0.958 17879 10271 1 16 . 1 1 77 77 ILE CB C 76 41.218 41.218 41.124 0.094 17879 10272 1 16 . 1 1 77 77 ILE H H 76 7.193 7.193 7.924 -0.731 17879 10273 1 16 . 1 1 78 78 PHE N N 77 124.094 124.094 126.537 -2.443 17879 10274 1 16 . 1 1 78 78 PHE HA H 77 4.556 4.556 4.807 -0.251 17879 10275 1 16 . 1 1 78 78 PHE C C 77 174.359 174.359 174.525 -0.166 17879 10276 1 16 . 1 1 78 78 PHE CA C 77 56.596 56.596 56.231 0.365 17879 10277 1 16 . 1 1 78 78 PHE CB C 77 42.370 42.370 42.346 0.024 17879 10278 1 16 . 1 1 78 78 PHE H H 77 8.931 8.931 9.032 -0.101 17879 10279 1 16 . 1 1 79 79 ILE N N 78 117.724 117.724 122.740 -5.016 17879 10280 1 16 . 1 1 79 79 ILE HA H 78 5.233 5.233 4.242 0.991 17879 10281 1 16 . 1 1 79 79 ILE C C 78 173.334 173.334 174.461 -1.127 17879 10282 1 16 . 1 1 79 79 ILE CA C 78 58.130 58.130 60.513 -2.383 17879 10283 1 16 . 1 1 79 79 ILE CB C 78 39.360 39.360 37.018 2.342 17879 10284 1 16 . 1 1 79 79 ILE H H 78 8.025 8.025 8.861 -0.836 17879 10285 1 16 . 1 1 80 80 PHE N N 79 121.084 121.084 128.141 -7.057 17879 10286 1 16 . 1 1 80 80 PHE HA H 79 5.365 5.365 5.005 0.360 17879 10287 1 16 . 1 1 80 80 PHE C C 79 176.270 176.270 174.727 1.543 17879 10288 1 16 . 1 1 80 80 PHE CA C 79 55.948 55.948 56.727 -0.779 17879 10289 1 16 . 1 1 80 80 PHE CB C 79 42.763 42.763 40.876 1.887 17879 10290 1 16 . 1 1 80 80 PHE H H 79 9.210 9.210 9.134 0.076 17879 10291 1 16 . 1 1 81 81 VAL N N 80 117.974 117.974 124.037 -6.063 17879 10292 1 16 . 1 1 81 81 VAL HA H 80 4.520 4.520 4.554 -0.034 17879 10293 1 16 . 1 1 81 81 VAL C C 80 175.699 175.699 174.740 0.959 17879 10294 1 16 . 1 1 81 81 VAL CA C 80 60.484 60.484 61.038 -0.554 17879 10295 1 16 . 1 1 81 81 VAL CB C 80 34.263 34.263 33.109 1.154 17879 10296 1 16 . 1 1 81 81 VAL H H 80 8.832 8.832 9.118 -0.286 17879 10297 1 16 . 1 1 82 82 ASN N N 81 127.615 127.615 126.685 0.930 17879 10298 1 16 . 1 1 82 82 ASN HA H 81 4.339 4.339 4.475 -0.136 17879 10299 1 16 . 1 1 82 82 ASN C C 81 174.036 174.036 174.234 -0.198 17879 10300 1 16 . 1 1 82 82 ASN CA C 81 55.231 55.231 54.005 1.226 17879 10301 1 16 . 1 1 82 82 ASN CB C 81 37.408 37.408 36.785 0.623 17879 10302 1 16 . 1 1 82 82 ASN H H 81 9.689 9.689 9.288 0.401 17879 10303 1 16 . 1 1 83 83 ASP N N 82 112.699 112.699 110.735 1.964 17879 10304 1 16 . 1 1 83 83 ASP HA H 82 4.135 4.135 4.212 -0.077 17879 10305 1 16 . 1 1 83 83 ASP C C 82 174.560 174.560 174.712 -0.152 17879 10306 1 16 . 1 1 83 83 ASP CA C 82 55.638 55.638 55.894 -0.256 17879 10307 1 16 . 1 1 83 83 ASP CB C 82 39.564 39.564 39.719 -0.155 17879 10308 1 16 . 1 1 83 83 ASP H H 82 8.772 8.772 8.468 0.304 17879 10309 1 16 . 1 1 84 84 THR N N 83 112.567 112.567 114.040 -1.473 17879 10310 1 16 . 1 1 84 84 THR HA H 83 4.715 4.715 4.625 0.090 17879 10311 1 16 . 1 1 84 84 THR C C 83 172.200 172.200 172.967 -0.767 17879 10312 1 16 . 1 1 84 84 THR CA C 83 60.868 60.868 61.318 -0.450 17879 10313 1 16 . 1 1 84 84 THR CB C 83 72.206 72.206 71.043 1.163 17879 10314 1 16 . 1 1 84 84 THR H H 83 8.080 8.080 7.268 0.812 17879 10315 1 16 . 1 1 85 85 LEU N N 84 125.810 125.810 129.154 -3.344 17879 10316 1 16 . 1 1 85 85 LEU HA H 84 5.127 5.127 5.068 0.059 17879 10317 1 16 . 1 1 85 85 LEU CA C 84 51.927 51.927 51.797 0.130 17879 10318 1 16 . 1 1 85 85 LEU CB C 84 42.779 42.779 43.217 -0.438 17879 10319 1 16 . 1 1 85 85 LEU H H 84 8.520 8.520 8.588 -0.068 17879 10320 1 16 . 1 1 86 86 PRO HA H 85 4.835 4.835 4.773 0.062 17879 10321 1 16 . 1 1 86 86 PRO CA C 85 60.910 60.910 61.139 -0.229 17879 10322 1 16 . 1 1 86 86 PRO CB C 85 30.852 30.852 31.161 -0.309 17879 10323 1 16 . 1 1 87 87 PRO HA H 86 4.577 4.577 4.566 0.011 17879 10324 1 16 . 1 1 87 87 PRO C C 86 177.830 177.830 177.234 0.596 17879 10325 1 16 . 1 1 87 87 PRO CA C 86 62.424 62.424 62.337 0.087 17879 10326 1 16 . 1 1 87 87 PRO CB C 86 31.910 31.910 32.188 -0.278 17879 10327 1 16 . 1 1 88 88 THR N N 87 114.642 114.642 110.438 4.204 17879 10328 1 16 . 1 1 88 88 THR HA H 87 3.802 3.802 4.240 -0.438 17879 10329 1 16 . 1 1 88 88 THR C C 87 175.702 175.702 175.994 -0.292 17879 10330 1 16 . 1 1 88 88 THR CA C 87 65.079 65.079 64.722 0.357 17879 10331 1 16 . 1 1 88 88 THR CB C 87 68.818 68.818 68.532 0.286 17879 10332 1 16 . 1 1 88 88 THR H H 87 8.291 8.291 8.155 0.136 17879 10333 1 16 . 1 1 89 89 ALA N N 88 119.706 119.706 123.221 -3.515 17879 10334 1 16 . 1 1 89 89 ALA HA H 88 4.420 4.420 4.271 0.149 17879 10335 1 16 . 1 1 89 89 ALA C C 88 177.690 177.690 177.901 -0.211 17879 10336 1 16 . 1 1 89 89 ALA CA C 88 52.118 52.118 52.564 -0.446 17879 10337 1 16 . 1 1 89 89 ALA CB C 88 19.334 19.334 17.660 1.674 17879 10338 1 16 . 1 1 89 89 ALA H H 88 8.031 8.031 8.193 -0.162 17879 10339 1 16 . 1 1 90 90 ALA N N 89 120.388 120.388 123.141 -2.753 17879 10340 1 16 . 1 1 90 90 ALA HA H 89 4.179 4.179 4.272 -0.093 17879 10341 1 16 . 1 1 90 90 ALA C C 89 176.520 176.520 176.331 0.189 17879 10342 1 16 . 1 1 90 90 ALA CA C 89 52.454 52.454 51.002 1.452 17879 10343 1 16 . 1 1 90 90 ALA CB C 89 19.301 19.301 17.109 2.192 17879 10344 1 16 . 1 1 90 90 ALA H H 89 7.465 7.465 7.316 0.149 17879 10345 1 16 . 1 1 91 91 LEU N N 90 119.307 119.307 121.188 -1.881 17879 10346 1 16 . 1 1 91 91 LEU HA H 90 4.490 4.490 3.884 0.606 17879 10347 1 16 . 1 1 91 91 LEU C C 90 179.555 179.555 178.344 1.211 17879 10348 1 16 . 1 1 91 91 LEU CA C 90 54.578 54.578 55.963 -1.385 17879 10349 1 16 . 1 1 91 91 LEU CB C 90 42.689 42.689 41.387 1.302 17879 10350 1 16 . 1 1 91 91 LEU H H 90 8.458 8.458 8.520 -0.062 17879 10351 1 16 . 1 1 92 92 MET N N 91 121.586 121.586 122.719 -1.133 17879 10352 1 16 . 1 1 92 92 MET HA H 91 4.231 4.231 3.913 0.318 17879 10353 1 16 . 1 1 92 92 MET C C 91 178.860 178.860 178.561 0.299 17879 10354 1 16 . 1 1 92 92 MET CA C 91 56.938 56.938 58.239 -1.301 17879 10355 1 16 . 1 1 92 92 MET CB C 91 29.372 29.372 30.741 -1.369 17879 10356 1 16 . 1 1 92 92 MET H H 91 9.203 9.203 8.629 0.574 17879 10357 1 16 . 1 1 93 93 SER N N 92 112.826 112.826 115.309 -2.483 17879 10358 1 16 . 1 1 93 93 SER HA H 92 3.978 3.978 4.082 -0.104 17879 10359 1 16 . 1 1 93 93 SER C C 92 176.318 176.318 176.378 -0.060 17879 10360 1 16 . 1 1 93 93 SER CA C 92 60.871 60.871 61.249 -0.378 17879 10361 1 16 . 1 1 93 93 SER CB C 92 61.575 61.575 62.844 -1.269 17879 10362 1 16 . 1 1 93 93 SER H H 92 8.717 8.717 8.418 0.299 17879 10363 1 16 . 1 1 94 94 ALA N N 93 126.735 126.735 123.224 3.511 17879 10364 1 16 . 1 1 94 94 ALA HA H 93 4.357 4.357 4.186 0.171 17879 10365 1 16 . 1 1 94 94 ALA C C 93 180.789 180.789 178.663 2.126 17879 10366 1 16 . 1 1 94 94 ALA CA C 93 54.841 54.841 54.159 0.682 17879 10367 1 16 . 1 1 94 94 ALA CB C 93 18.603 18.603 18.546 0.057 17879 10368 1 16 . 1 1 94 94 ALA H H 93 7.058 7.058 8.184 -1.126 17879 10369 1 16 . 1 1 95 95 ILE N N 94 118.720 118.720 118.728 -0.008 17879 10370 1 16 . 1 1 95 95 ILE HA H 94 4.063 4.063 4.050 0.013 17879 10371 1 16 . 1 1 95 95 ILE C C 94 178.326 178.326 177.142 1.184 17879 10372 1 16 . 1 1 95 95 ILE CA C 94 62.755 62.755 63.429 -0.674 17879 10373 1 16 . 1 1 95 95 ILE CB C 94 36.410 36.410 38.315 -1.905 17879 10374 1 16 . 1 1 95 95 ILE H H 94 7.872 7.872 7.629 0.243 17879 10375 1 16 . 1 1 96 96 TYR N N 95 120.697 120.697 119.692 1.005 17879 10376 1 16 . 1 1 96 96 TYR HA H 95 4.007 4.007 4.188 -0.181 17879 10377 1 16 . 1 1 96 96 TYR C C 95 176.022 176.022 176.130 -0.108 17879 10378 1 16 . 1 1 96 96 TYR CA C 95 62.187 62.187 60.326 1.861 17879 10379 1 16 . 1 1 96 96 TYR CB C 95 39.093 39.093 38.483 0.610 17879 10380 1 16 . 1 1 96 96 TYR H H 95 8.841 8.841 8.613 0.228 17879 10381 1 16 . 1 1 97 97 GLN N N 96 114.982 114.982 117.183 -2.201 17879 10382 1 16 . 1 1 97 97 GLN HA H 96 3.778 3.778 4.338 -0.560 17879 10383 1 16 . 1 1 97 97 GLN C C 96 177.250 177.250 176.511 0.739 17879 10384 1 16 . 1 1 97 97 GLN CA C 96 58.719 58.719 56.641 2.078 17879 10385 1 16 . 1 1 97 97 GLN CB C 96 28.286 28.286 29.415 -1.129 17879 10386 1 16 . 1 1 97 97 GLN H H 96 7.757 7.757 7.859 -0.102 17879 10387 1 16 . 1 1 98 98 GLU N N 97 114.340 114.340 118.502 -4.162 17879 10388 1 16 . 1 1 98 98 GLU HA H 97 4.099 4.099 4.258 -0.159 17879 10389 1 16 . 1 1 98 98 GLU C C 97 178.140 178.140 177.245 0.895 17879 10390 1 16 . 1 1 98 98 GLU CA C 97 57.886 57.886 56.810 1.075 17879 10391 1 16 . 1 1 98 98 GLU CB C 97 31.589 31.589 31.201 0.388 17879 10392 1 16 . 1 1 98 98 GLU H H 97 7.117 7.117 7.838 -0.721 17879 10393 1 16 . 1 1 99 99 HIS N N 98 113.377 113.377 118.261 -4.884 17879 10394 1 16 . 1 1 99 99 HIS HA H 98 4.829 4.829 4.794 0.035 17879 10395 1 16 . 1 1 99 99 HIS C C 98 175.856 175.856 174.224 1.632 17879 10396 1 16 . 1 1 99 99 HIS CA C 98 56.738 56.738 54.791 1.946 17879 10397 1 16 . 1 1 99 99 HIS CB C 98 32.930 32.930 29.848 3.082 17879 10398 1 16 . 1 1 99 99 HIS H H 98 8.247 8.247 8.281 -0.034 17879 10399 1 16 . 1 1 100 100 LYS N N 99 120.905 120.905 118.868 2.037 17879 10400 1 16 . 1 1 100 100 LYS HA H 99 3.994 3.994 3.889 0.105 17879 10401 1 16 . 1 1 100 100 LYS C C 99 174.832 174.832 175.729 -0.897 17879 10402 1 16 . 1 1 100 100 LYS CA C 99 57.693 57.693 56.506 1.187 17879 10403 1 16 . 1 1 100 100 LYS CB C 99 31.703 31.703 32.495 -0.792 17879 10404 1 16 . 1 1 100 100 LYS H H 99 8.065 8.065 7.578 0.487 17879 10405 1 16 . 1 1 101 101 ASP N N 100 124.188 124.188 120.480 3.708 17879 10406 1 16 . 1 1 101 101 ASP HA H 100 4.765 4.765 4.885 -0.120 17879 10407 1 16 . 1 1 101 101 ASP C C 100 177.692 177.692 176.323 1.369 17879 10408 1 16 . 1 1 101 101 ASP CA C 100 54.030 54.030 52.046 1.984 17879 10409 1 16 . 1 1 101 101 ASP CB C 100 43.429 43.429 43.641 -0.212 17879 10410 1 16 . 1 1 101 101 ASP H H 100 9.027 9.027 7.903 1.124 17879 10411 1 16 . 1 1 102 102 LYS N N 101 125.898 125.898 119.768 6.130 17879 10412 1 16 . 1 1 102 102 LYS HA H 101 4.239 4.239 4.012 0.227 17879 10413 1 16 . 1 1 102 102 LYS C C 101 178.053 178.053 177.698 0.355 17879 10414 1 16 . 1 1 102 102 LYS CA C 101 59.482 59.482 59.433 0.049 17879 10415 1 16 . 1 1 102 102 LYS CB C 101 32.821 32.821 32.726 0.095 17879 10416 1 16 . 1 1 102 102 LYS H H 101 8.678 8.678 8.731 -0.053 17879 10417 1 16 . 1 1 103 103 ASP N N 102 119.326 119.326 116.658 2.668 17879 10418 1 16 . 1 1 103 103 ASP HA H 102 4.127 4.127 4.349 -0.222 17879 10419 1 16 . 1 1 103 103 ASP C C 102 176.833 176.833 177.562 -0.729 17879 10420 1 16 . 1 1 103 103 ASP CA C 102 54.666 54.666 55.848 -1.182 17879 10421 1 16 . 1 1 103 103 ASP CB C 102 39.848 39.848 40.499 -0.651 17879 10422 1 16 . 1 1 103 103 ASP H H 102 10.276 10.276 8.742 1.534 17879 10423 1 16 . 1 1 104 104 GLY N N 103 106.059 106.059 105.507 0.552 17879 10424 1 16 . 1 1 104 104 GLY C C 103 174.655 174.655 174.919 -0.264 17879 10425 1 16 . 1 1 104 104 GLY CA C 103 45.319 45.319 44.943 0.376 17879 10426 1 16 . 1 1 104 104 GLY H H 103 8.173 8.173 7.580 0.593 17879 10427 1 16 . 1 1 105 105 PHE N N 104 121.781 121.781 121.559 0.222 17879 10428 1 16 . 1 1 105 105 PHE HA H 104 4.682 4.682 4.479 0.203 17879 10429 1 16 . 1 1 105 105 PHE C C 104 174.830 174.830 176.375 -1.545 17879 10430 1 16 . 1 1 105 105 PHE CA C 104 59.377 59.377 60.056 -0.679 17879 10431 1 16 . 1 1 105 105 PHE CB C 104 39.938 39.938 39.589 0.349 17879 10432 1 16 . 1 1 105 105 PHE H H 104 9.600 9.600 8.338 1.262 17879 10433 1 16 . 1 1 106 106 LEU N N 105 119.929 119.929 122.510 -2.581 17879 10434 1 16 . 1 1 106 106 LEU HA H 105 4.897 4.897 4.440 0.457 17879 10435 1 16 . 1 1 106 106 LEU C C 105 173.947 173.947 176.199 -2.252 17879 10436 1 16 . 1 1 106 106 LEU CA C 105 53.463 53.463 54.004 -0.541 17879 10437 1 16 . 1 1 106 106 LEU CB C 105 45.066 45.066 43.740 1.326 17879 10438 1 16 . 1 1 106 106 LEU H H 105 8.376 8.376 8.809 -0.433 17879 10439 1 16 . 1 1 107 107 TYR N N 106 127.637 127.637 119.864 7.773 17879 10440 1 16 . 1 1 107 107 TYR HA H 106 4.992 4.992 5.181 -0.189 17879 10441 1 16 . 1 1 107 107 TYR C C 106 176.099 176.099 175.163 0.936 17879 10442 1 16 . 1 1 107 107 TYR CA C 106 58.893 58.893 57.432 1.461 17879 10443 1 16 . 1 1 107 107 TYR CB C 106 38.140 38.140 40.223 -2.083 17879 10444 1 16 . 1 1 107 107 TYR H H 106 9.124 9.124 8.398 0.726 17879 10445 1 16 . 1 1 108 108 VAL N N 107 121.630 121.630 119.377 2.253 17879 10446 1 16 . 1 1 108 108 VAL HA H 107 5.135 5.135 5.077 0.058 17879 10447 1 16 . 1 1 108 108 VAL C C 107 175.722 175.722 174.547 1.175 17879 10448 1 16 . 1 1 108 108 VAL CA C 107 59.587 59.587 59.113 0.474 17879 10449 1 16 . 1 1 108 108 VAL CB C 107 34.787 34.787 35.353 -0.567 17879 10450 1 16 . 1 1 108 108 VAL H H 107 9.560 9.560 9.034 0.526 17879 10451 1 16 . 1 1 109 109 THR N N 108 119.845 119.845 115.077 4.768 17879 10452 1 16 . 1 1 109 109 THR HA H 108 6.155 6.155 5.248 0.907 17879 10453 1 16 . 1 1 109 109 THR C C 108 174.158 174.158 173.757 0.401 17879 10454 1 16 . 1 1 109 109 THR CA C 108 59.869 59.869 62.238 -2.369 17879 10455 1 16 . 1 1 109 109 THR CB C 108 72.268 72.268 70.668 1.599 17879 10456 1 16 . 1 1 109 109 THR H H 108 9.061 9.061 8.224 0.837 17879 10457 1 16 . 1 1 110 110 TYR N N 109 119.706 119.706 126.596 -6.890 17879 10458 1 16 . 1 1 110 110 TYR HA H 109 6.332 6.332 5.805 0.527 17879 10459 1 16 . 1 1 110 110 TYR C C 109 173.366 173.366 174.145 -0.779 17879 10460 1 16 . 1 1 110 110 TYR CA C 109 54.655 54.655 55.005 -0.350 17879 10461 1 16 . 1 1 110 110 TYR CB C 109 42.250 42.250 39.381 2.869 17879 10462 1 16 . 1 1 110 110 TYR H H 109 8.461 8.461 9.397 -0.936 17879 10463 1 16 . 1 1 111 111 SER N N 110 112.907 112.907 119.436 -6.529 17879 10464 1 16 . 1 1 111 111 SER HA H 110 4.745 4.745 4.862 -0.117 17879 10465 1 16 . 1 1 111 111 SER C C 110 173.692 173.692 174.749 -1.057 17879 10466 1 16 . 1 1 111 111 SER CA C 110 56.044 56.044 55.776 0.268 17879 10467 1 16 . 1 1 111 111 SER CB C 110 66.177 66.177 66.835 -0.658 17879 10468 1 16 . 1 1 111 111 SER H H 110 9.089 9.089 8.469 0.620 17879 10469 1 16 . 1 1 112 112 GLY N N 111 111.054 111.054 107.021 4.033 17879 10470 1 16 . 1 1 112 112 GLY C C 111 173.331 173.331 173.998 -0.667 17879 10471 1 16 . 1 1 112 112 GLY CA C 111 45.341 45.341 45.213 0.128 17879 10472 1 16 . 1 1 112 112 GLY H H 111 8.443 8.443 8.973 -0.530 17879 10473 1 16 . 1 1 113 113 GLU N N 112 118.801 118.801 118.344 0.457 17879 10474 1 16 . 1 1 113 113 GLU HA H 112 4.660 4.660 4.616 0.044 17879 10475 1 16 . 1 1 113 113 GLU C C 112 174.538 174.538 174.554 -0.016 17879 10476 1 16 . 1 1 113 113 GLU CA C 112 55.642 55.642 54.974 0.668 17879 10477 1 16 . 1 1 113 113 GLU CB C 112 32.930 32.930 31.997 0.933 17879 10478 1 16 . 1 1 113 113 GLU H H 112 8.413 8.413 7.578 0.835 17879 10479 1 16 . 1 1 114 114 ASN N N 113 118.152 118.152 118.092 0.060 17879 10480 1 16 . 1 1 114 114 ASN HA H 113 4.187 4.187 4.272 -0.085 17879 10481 1 16 . 1 1 114 114 ASN C C 113 175.011 175.011 174.706 0.305 17879 10482 1 16 . 1 1 114 114 ASN CA C 113 51.910 51.910 52.722 -0.812 17879 10483 1 16 . 1 1 114 114 ASN CB C 113 36.865 36.865 38.206 -1.341 17879 10484 1 16 . 1 1 114 114 ASN H H 113 8.207 8.207 8.800 -0.593 17879 10485 1 16 . 1 1 115 115 THR N N 114 112.887 112.887 115.513 -2.626 17879 10486 1 16 . 1 1 115 115 THR HA H 114 4.190 4.190 4.535 -0.345 17879 10487 1 16 . 1 1 115 115 THR C C 114 173.575 173.575 173.485 0.090 17879 10488 1 16 . 1 1 115 115 THR CA C 114 61.149 61.149 61.426 -0.277 17879 10489 1 16 . 1 1 115 115 THR CB C 114 69.859 69.859 69.493 0.366 17879 10490 1 16 . 1 1 115 115 THR H H 114 7.411 7.411 7.739 -0.328 17879 10491 1 16 . 1 1 116 116 PHE N N 115 121.474 121.474 116.671 4.803 17879 10492 1 16 . 1 1 116 116 PHE HA H 115 4.451 4.451 4.507 -0.056 17879 10493 1 16 . 1 1 116 116 PHE C C 115 175.078 175.078 174.230 0.848 17879 10494 1 16 . 1 1 116 116 PHE CA C 115 57.681 57.681 55.967 1.714 17879 10495 1 16 . 1 1 116 116 PHE CB C 115 39.569 39.569 38.818 0.751 17879 10496 1 16 . 1 1 116 116 PHE H H 115 8.021 8.021 7.602 0.419 17879 10497 1 17 . 1 1 2 2 MET N N 1 122.410 122.410 119.582 2.828 17879 10498 1 17 . 1 1 2 2 MET HA H 1 4.455 4.455 5.006 -0.551 17879 10499 1 17 . 1 1 2 2 MET C C 1 175.655 175.655 174.789 0.866 17879 10500 1 17 . 1 1 2 2 MET CA C 1 55.438 55.438 54.327 1.111 17879 10501 1 17 . 1 1 2 2 MET CB C 1 33.126 33.126 36.214 -3.088 17879 10502 1 17 . 1 1 2 2 MET H H 1 8.425 8.425 8.508 -0.083 17879 10503 1 17 . 1 1 3 3 LYS N N 2 123.656 123.656 119.373 4.283 17879 10504 1 17 . 1 1 3 3 LYS HA H 2 4.326 4.326 4.587 -0.261 17879 10505 1 17 . 1 1 3 3 LYS C C 2 176.266 176.266 175.838 0.428 17879 10506 1 17 . 1 1 3 3 LYS CA C 2 56.348 56.348 56.218 0.130 17879 10507 1 17 . 1 1 3 3 LYS CB C 2 33.219 33.219 34.215 -0.996 17879 10508 1 17 . 1 1 3 3 LYS H H 2 8.512 8.512 8.402 0.110 17879 10509 1 17 . 1 1 4 4 SER N N 3 118.350 118.350 116.277 2.073 17879 10510 1 17 . 1 1 4 4 SER HA H 3 4.631 4.631 4.562 0.069 17879 10511 1 17 . 1 1 4 4 SER C C 3 175.421 175.421 174.230 1.191 17879 10512 1 17 . 1 1 4 4 SER CA C 3 57.629 57.629 57.736 -0.107 17879 10513 1 17 . 1 1 4 4 SER CB C 3 64.079 64.079 64.448 -0.369 17879 10514 1 17 . 1 1 4 4 SER H H 3 8.426 8.426 8.012 0.414 17879 10515 1 17 . 1 1 5 5 THR N N 4 127.775 127.775 113.460 14.315 17879 10516 1 17 . 1 1 5 5 THR HA H 4 4.482 4.482 4.360 0.122 17879 10517 1 17 . 1 1 5 5 THR C C 4 174.680 174.680 175.219 -0.539 17879 10518 1 17 . 1 1 5 5 THR CA C 4 62.001 62.001 63.059 -1.058 17879 10519 1 17 . 1 1 5 5 THR CB C 4 70.137 70.137 69.644 0.493 17879 10520 1 17 . 1 1 5 5 THR H H 4 9.971 9.971 8.326 1.645 17879 10521 1 17 . 1 1 6 6 PHE N N 5 123.021 123.021 120.911 2.110 17879 10522 1 17 . 1 1 6 6 PHE HA H 5 4.125 4.125 4.157 -0.032 17879 10523 1 17 . 1 1 6 6 PHE C C 5 177.064 177.064 174.888 2.176 17879 10524 1 17 . 1 1 6 6 PHE CA C 5 63.041 63.041 59.721 3.320 17879 10525 1 17 . 1 1 6 6 PHE CB C 5 40.828 40.828 38.941 1.887 17879 10526 1 17 . 1 1 6 6 PHE H H 5 8.863 8.863 8.476 0.387 17879 10527 1 17 . 1 1 7 7 LYS N N 6 114.006 114.006 115.882 -1.876 17879 10528 1 17 . 1 1 7 7 LYS HA H 6 3.916 3.916 4.148 -0.232 17879 10529 1 17 . 1 1 7 7 LYS C C 6 177.535 177.535 176.945 0.590 17879 10530 1 17 . 1 1 7 7 LYS CA C 6 60.026 60.026 57.542 2.484 17879 10531 1 17 . 1 1 7 7 LYS CB C 6 33.611 33.611 32.712 0.899 17879 10532 1 17 . 1 1 7 7 LYS H H 6 8.661 8.661 8.406 0.255 17879 10533 1 17 . 1 1 8 8 SER N N 7 111.149 111.149 113.613 -2.464 17879 10534 1 17 . 1 1 8 8 SER HA H 7 4.275 4.275 4.401 -0.126 17879 10535 1 17 . 1 1 8 8 SER C C 7 175.689 175.689 175.302 0.387 17879 10536 1 17 . 1 1 8 8 SER CA C 7 60.007 60.007 59.126 0.881 17879 10537 1 17 . 1 1 8 8 SER CB C 7 63.759 63.759 63.121 0.638 17879 10538 1 17 . 1 1 8 8 SER H H 7 7.552 7.552 7.457 0.095 17879 10539 1 17 . 1 1 9 9 GLU N N 8 122.296 122.296 118.865 3.431 17879 10540 1 17 . 1 1 9 9 GLU HA H 8 3.818 3.818 4.141 -0.323 17879 10541 1 17 . 1 1 9 9 GLU C C 8 176.068 176.068 175.357 0.711 17879 10542 1 17 . 1 1 9 9 GLU CA C 8 58.137 58.137 56.696 1.441 17879 10543 1 17 . 1 1 9 9 GLU CB C 8 30.965 30.965 29.842 1.123 17879 10544 1 17 . 1 1 9 9 GLU H H 8 7.924 7.924 7.406 0.518 17879 10545 1 17 . 1 1 10 10 TYR N N 9 115.131 115.131 113.449 1.682 17879 10546 1 17 . 1 1 10 10 TYR HA H 9 5.066 5.066 4.760 0.306 17879 10547 1 17 . 1 1 10 10 TYR CA C 9 53.958 53.958 54.026 -0.068 17879 10548 1 17 . 1 1 10 10 TYR CB C 9 41.055 41.055 37.380 3.675 17879 10549 1 17 . 1 1 10 10 TYR H H 9 7.052 7.052 6.887 0.165 17879 10550 1 17 . 1 1 11 11 PRO HA H 10 4.708 4.708 4.796 -0.088 17879 10551 1 17 . 1 1 11 11 PRO C C 10 177.384 177.384 177.280 0.104 17879 10552 1 17 . 1 1 11 11 PRO CA C 10 62.279 62.279 62.255 0.024 17879 10553 1 17 . 1 1 11 11 PRO CB C 10 33.087 33.087 32.863 0.224 17879 10554 1 17 . 1 1 12 12 PHE N N 11 125.307 125.307 121.745 3.562 17879 10555 1 17 . 1 1 12 12 PHE HA H 11 3.883 3.883 4.281 -0.398 17879 10556 1 17 . 1 1 12 12 PHE C C 11 176.157 176.157 176.919 -0.762 17879 10557 1 17 . 1 1 12 12 PHE CA C 11 63.156 63.156 62.078 1.078 17879 10558 1 17 . 1 1 12 12 PHE CB C 11 39.935 39.935 39.284 0.651 17879 10559 1 17 . 1 1 12 12 PHE H H 11 9.385 9.385 8.803 0.582 17879 10560 1 17 . 1 1 13 13 GLU N N 12 115.356 115.356 117.323 -1.967 17879 10561 1 17 . 1 1 13 13 GLU HA H 12 3.857 3.857 4.055 -0.198 17879 10562 1 17 . 1 1 13 13 GLU C C 12 179.598 179.598 178.604 0.994 17879 10563 1 17 . 1 1 13 13 GLU CA C 12 60.317 60.317 59.362 0.955 17879 10564 1 17 . 1 1 13 13 GLU CB C 12 28.642 28.642 28.877 -0.235 17879 10565 1 17 . 1 1 13 13 GLU H H 12 9.800 9.800 9.223 0.577 17879 10566 1 17 . 1 1 14 14 LYS N N 13 118.194 118.194 120.058 -1.864 17879 10567 1 17 . 1 1 14 14 LYS HA H 13 4.246 4.246 4.193 0.053 17879 10568 1 17 . 1 1 14 14 LYS C C 13 178.804 178.804 178.284 0.520 17879 10569 1 17 . 1 1 14 14 LYS CA C 13 58.143 58.143 57.995 0.149 17879 10570 1 17 . 1 1 14 14 LYS CB C 13 32.770 32.770 32.549 0.221 17879 10571 1 17 . 1 1 14 14 LYS H H 13 7.160 7.160 7.593 -0.433 17879 10572 1 17 . 1 1 15 15 ARG N N 14 120.949 120.949 119.990 0.959 17879 10573 1 17 . 1 1 15 15 ARG HA H 14 3.892 3.892 3.708 0.184 17879 10574 1 17 . 1 1 15 15 ARG C C 14 176.858 176.858 178.175 -1.317 17879 10575 1 17 . 1 1 15 15 ARG CA C 14 61.520 61.520 58.678 2.842 17879 10576 1 17 . 1 1 15 15 ARG CB C 14 32.840 32.840 30.098 2.743 17879 10577 1 17 . 1 1 15 15 ARG H H 14 7.686 7.686 8.366 -0.680 17879 10578 1 17 . 1 1 16 16 LYS N N 15 119.224 119.224 118.103 1.121 17879 10579 1 17 . 1 1 16 16 LYS HA H 15 4.449 4.449 4.458 -0.009 17879 10580 1 17 . 1 1 16 16 LYS C C 15 177.796 177.796 177.967 -0.171 17879 10581 1 17 . 1 1 16 16 LYS CA C 15 57.366 57.366 58.807 -1.441 17879 10582 1 17 . 1 1 16 16 LYS CB C 15 32.529 32.529 31.687 0.842 17879 10583 1 17 . 1 1 16 16 LYS H H 15 8.667 8.667 8.279 0.388 17879 10584 1 17 . 1 1 17 17 ALA N N 16 117.777 117.777 120.991 -3.214 17879 10585 1 17 . 1 1 17 17 ALA HA H 16 4.164 4.164 4.226 -0.062 17879 10586 1 17 . 1 1 17 17 ALA C C 16 180.641 180.641 179.466 1.175 17879 10587 1 17 . 1 1 17 17 ALA CA C 16 54.627 54.627 54.306 0.321 17879 10588 1 17 . 1 1 17 17 ALA CB C 16 18.114 18.114 18.036 0.078 17879 10589 1 17 . 1 1 17 17 ALA H H 16 7.305 7.305 7.606 -0.301 17879 10590 1 17 . 1 1 18 18 GLU N N 17 119.934 119.934 119.623 0.311 17879 10591 1 17 . 1 1 18 18 GLU HA H 17 4.695 4.695 4.100 0.595 17879 10592 1 17 . 1 1 18 18 GLU C C 17 178.339 178.339 178.511 -0.172 17879 10593 1 17 . 1 1 18 18 GLU CA C 17 58.173 58.173 59.063 -0.890 17879 10594 1 17 . 1 1 18 18 GLU CB C 17 28.765 28.765 29.380 -0.615 17879 10595 1 17 . 1 1 18 18 GLU H H 17 7.849 7.849 7.862 -0.013 17879 10596 1 17 . 1 1 19 19 SER N N 18 117.685 117.685 114.222 3.463 17879 10597 1 17 . 1 1 19 19 SER HA H 18 3.542 3.542 4.041 -0.499 17879 10598 1 17 . 1 1 19 19 SER C C 18 178.206 178.206 176.553 1.653 17879 10599 1 17 . 1 1 19 19 SER CA C 18 62.108 62.108 60.560 1.548 17879 10600 1 17 . 1 1 19 19 SER CB C 18 59.839 59.839 62.298 -2.459 17879 10601 1 17 . 1 1 19 19 SER H H 18 8.785 8.785 8.552 0.233 17879 10602 1 17 . 1 1 20 20 GLU N N 19 124.346 124.346 122.715 1.631 17879 10603 1 17 . 1 1 20 20 GLU HA H 19 3.988 3.988 4.067 -0.079 17879 10604 1 17 . 1 1 20 20 GLU C C 19 178.788 178.788 179.156 -0.368 17879 10605 1 17 . 1 1 20 20 GLU CA C 19 59.701 59.701 59.320 0.381 17879 10606 1 17 . 1 1 20 20 GLU CB C 19 29.318 29.318 29.460 -0.142 17879 10607 1 17 . 1 1 20 20 GLU H H 19 8.052 8.052 7.585 0.467 17879 10608 1 17 . 1 1 21 21 ARG N N 20 122.089 122.089 118.583 3.506 17879 10609 1 17 . 1 1 21 21 ARG HA H 20 4.093 4.093 4.107 -0.014 17879 10610 1 17 . 1 1 21 21 ARG C C 20 179.458 179.458 178.307 1.151 17879 10611 1 17 . 1 1 21 21 ARG CA C 20 59.500 59.500 58.776 0.724 17879 10612 1 17 . 1 1 21 21 ARG CB C 20 30.412 30.412 29.562 0.850 17879 10613 1 17 . 1 1 21 21 ARG H H 20 7.958 7.958 7.624 0.334 17879 10614 1 17 . 1 1 22 22 ILE N N 21 119.893 119.893 120.154 -0.261 17879 10615 1 17 . 1 1 22 22 ILE HA H 21 3.623 3.623 3.882 -0.259 17879 10616 1 17 . 1 1 22 22 ILE C C 21 176.842 176.842 177.403 -0.561 17879 10617 1 17 . 1 1 22 22 ILE CA C 21 65.145 65.145 63.814 1.331 17879 10618 1 17 . 1 1 22 22 ILE CB C 21 38.195 38.195 37.716 0.479 17879 10619 1 17 . 1 1 22 22 ILE H H 21 8.277 8.277 7.544 0.733 17879 10620 1 17 . 1 1 23 23 ALA N N 22 121.816 121.816 121.249 0.567 17879 10621 1 17 . 1 1 23 23 ALA HA H 22 4.071 4.071 4.085 -0.014 17879 10622 1 17 . 1 1 23 23 ALA C C 22 179.199 179.199 177.906 1.293 17879 10623 1 17 . 1 1 23 23 ALA CA C 22 54.519 54.519 54.493 0.026 17879 10624 1 17 . 1 1 23 23 ALA CB C 22 18.001 18.001 18.516 -0.515 17879 10625 1 17 . 1 1 23 23 ALA H H 22 7.962 7.962 7.705 0.257 17879 10626 1 17 . 1 1 24 24 ASP N N 23 114.866 114.866 118.600 -3.734 17879 10627 1 17 . 1 1 24 24 ASP HA H 23 4.401 4.401 4.509 -0.108 17879 10628 1 17 . 1 1 24 24 ASP C C 23 177.324 177.324 178.231 -0.907 17879 10629 1 17 . 1 1 24 24 ASP CA C 23 56.248 56.248 55.585 0.663 17879 10630 1 17 . 1 1 24 24 ASP CB C 23 42.193 42.193 41.287 0.906 17879 10631 1 17 . 1 1 24 24 ASP H H 23 7.368 7.368 7.618 -0.250 17879 10632 1 17 . 1 1 25 25 ARG N N 24 116.868 116.868 119.048 -2.180 17879 10633 1 17 . 1 1 25 25 ARG HA H 24 3.922 3.922 3.684 0.238 17879 10634 1 17 . 1 1 25 25 ARG C C 24 176.266 176.266 176.111 0.155 17879 10635 1 17 . 1 1 25 25 ARG CA C 24 57.158 57.158 58.110 -0.952 17879 10636 1 17 . 1 1 25 25 ARG CB C 24 31.477 31.477 30.533 0.944 17879 10637 1 17 . 1 1 25 25 ARG H H 24 7.815 7.815 8.055 -0.240 17879 10638 1 17 . 1 1 26 26 PHE N N 25 116.737 116.737 114.241 2.496 17879 10639 1 17 . 1 1 26 26 PHE HA H 25 5.084 5.084 4.863 0.221 17879 10640 1 17 . 1 1 26 26 PHE CA C 25 54.304 54.304 54.913 -0.610 17879 10641 1 17 . 1 1 26 26 PHE CB C 25 39.026 39.026 39.504 -0.478 17879 10642 1 17 . 1 1 26 26 PHE H H 25 8.658 8.658 7.872 0.786 17879 10643 1 17 . 1 1 27 27 PRO HA H 26 4.503 4.503 4.420 0.083 17879 10644 1 17 . 1 1 27 27 PRO C C 26 177.538 177.538 176.609 0.929 17879 10645 1 17 . 1 1 27 27 PRO CA C 26 64.394 64.394 63.871 0.523 17879 10646 1 17 . 1 1 27 27 PRO CB C 26 31.961 31.961 32.048 -0.087 17879 10647 1 17 . 1 1 28 28 ASN N N 27 114.596 114.596 117.572 -2.976 17879 10648 1 17 . 1 1 28 28 ASN HA H 27 4.725 4.725 4.757 -0.032 17879 10649 1 17 . 1 1 28 28 ASN C C 27 174.678 174.678 173.969 0.709 17879 10650 1 17 . 1 1 28 28 ASN CA C 27 52.868 52.868 52.699 0.169 17879 10651 1 17 . 1 1 28 28 ASN CB C 27 38.331 38.331 38.678 -0.347 17879 10652 1 17 . 1 1 28 28 ASN H H 27 8.537 8.537 8.543 -0.006 17879 10653 1 17 . 1 1 29 29 ARG N N 28 116.946 116.946 119.188 -2.242 17879 10654 1 17 . 1 1 29 29 ARG HA H 28 4.769 4.769 4.513 0.256 17879 10655 1 17 . 1 1 29 29 ARG C C 28 174.469 174.469 174.279 0.190 17879 10656 1 17 . 1 1 29 29 ARG CA C 28 52.948 52.948 54.401 -1.454 17879 10657 1 17 . 1 1 29 29 ARG CB C 28 32.941 32.941 33.233 -0.291 17879 10658 1 17 . 1 1 29 29 ARG H H 28 7.580 7.580 7.208 0.372 17879 10659 1 17 . 1 1 30 30 ILE N N 29 121.854 121.854 121.142 0.712 17879 10660 1 17 . 1 1 30 30 ILE HA H 29 4.098 4.098 4.041 0.057 17879 10661 1 17 . 1 1 30 30 ILE CA C 29 55.558 55.558 56.636 -1.078 17879 10662 1 17 . 1 1 30 30 ILE CB C 29 38.805 38.805 39.016 -0.210 17879 10663 1 17 . 1 1 30 30 ILE H H 29 9.262 9.262 8.738 0.524 17879 10664 1 17 . 1 1 31 31 PRO HA H 30 4.856 4.856 4.526 0.330 17879 10665 1 17 . 1 1 31 31 PRO C C 30 174.121 174.121 176.229 -2.108 17879 10666 1 17 . 1 1 31 31 PRO CA C 30 61.705 61.705 62.398 -0.693 17879 10667 1 17 . 1 1 31 31 PRO CB C 30 30.966 30.966 30.428 0.538 17879 10668 1 17 . 1 1 32 32 VAL N N 31 127.197 127.197 119.976 7.221 17879 10669 1 17 . 1 1 32 32 VAL HA H 31 4.997 4.997 4.868 0.129 17879 10670 1 17 . 1 1 32 32 VAL C C 31 174.181 174.181 173.751 0.430 17879 10671 1 17 . 1 1 32 32 VAL CA C 31 60.620 60.620 59.521 1.099 17879 10672 1 17 . 1 1 32 32 VAL CB C 31 35.645 35.645 35.967 -0.322 17879 10673 1 17 . 1 1 32 32 VAL H H 31 9.096 9.096 8.975 0.121 17879 10674 1 17 . 1 1 33 33 ILE N N 32 127.157 127.157 120.553 6.604 17879 10675 1 17 . 1 1 33 33 ILE HA H 32 4.917 4.917 4.553 0.364 17879 10676 1 17 . 1 1 33 33 ILE C C 32 174.991 174.991 175.485 -0.494 17879 10677 1 17 . 1 1 33 33 ILE CA C 32 56.589 56.589 59.528 -2.939 17879 10678 1 17 . 1 1 33 33 ILE CB C 32 35.908 35.908 38.085 -2.177 17879 10679 1 17 . 1 1 33 33 ILE H H 32 8.775 8.775 8.565 0.210 17879 10680 1 17 . 1 1 34 34 CYS N N 33 129.280 129.280 127.463 1.817 17879 10681 1 17 . 1 1 34 34 CYS HA H 33 5.559 5.559 4.294 1.265 17879 10682 1 17 . 1 1 34 34 CYS C C 33 173.218 173.218 174.214 -0.996 17879 10683 1 17 . 1 1 34 34 CYS CA C 33 57.121 57.121 60.479 -3.358 17879 10684 1 17 . 1 1 34 34 CYS CB C 33 28.880 28.880 28.203 0.677 17879 10685 1 17 . 1 1 34 34 CYS H H 33 9.738 9.738 9.047 0.691 17879 10686 1 17 . 1 1 35 35 GLU N N 34 124.130 124.130 126.143 -2.013 17879 10687 1 17 . 1 1 35 35 GLU HA H 34 4.977 4.977 4.594 0.383 17879 10688 1 17 . 1 1 35 35 GLU C C 34 174.190 174.190 174.227 -0.037 17879 10689 1 17 . 1 1 35 35 GLU CA C 34 54.308 54.308 55.233 -0.925 17879 10690 1 17 . 1 1 35 35 GLU CB C 34 35.281 35.281 33.785 1.496 17879 10691 1 17 . 1 1 35 35 GLU H H 34 8.531 8.531 8.719 -0.188 17879 10692 1 17 . 1 1 36 36 LYS N N 35 123.562 123.562 121.107 2.455 17879 10693 1 17 . 1 1 36 36 LYS HA H 35 3.056 3.056 4.482 -1.426 17879 10694 1 17 . 1 1 36 36 LYS C C 35 177.452 177.452 175.230 2.222 17879 10695 1 17 . 1 1 36 36 LYS CA C 35 56.374 56.374 53.526 2.848 17879 10696 1 17 . 1 1 36 36 LYS CB C 35 32.750 32.750 35.055 -2.305 17879 10697 1 17 . 1 1 36 36 LYS H H 35 8.949 8.949 8.469 0.480 17879 10698 1 17 . 1 1 37 37 ALA N N 36 129.494 129.494 128.155 1.339 17879 10699 1 17 . 1 1 37 37 ALA HA H 36 4.163 4.163 4.412 -0.248 17879 10700 1 17 . 1 1 37 37 ALA C C 36 178.375 178.375 178.211 0.164 17879 10701 1 17 . 1 1 37 37 ALA CA C 36 52.702 52.702 51.279 1.423 17879 10702 1 17 . 1 1 37 37 ALA CB C 36 18.673 18.673 19.760 -1.087 17879 10703 1 17 . 1 1 37 37 ALA H H 36 8.561 8.561 7.754 0.807 17879 10704 1 17 . 1 1 38 38 GLU N N 37 125.115 125.115 126.378 -1.263 17879 10705 1 17 . 1 1 38 38 GLU HA H 37 3.959 3.959 3.886 0.073 17879 10706 1 17 . 1 1 38 38 GLU C C 37 177.516 177.516 177.190 0.326 17879 10707 1 17 . 1 1 38 38 GLU CA C 37 59.302 59.302 58.592 0.710 17879 10708 1 17 . 1 1 38 38 GLU CB C 37 30.154 30.154 29.099 1.055 17879 10709 1 17 . 1 1 38 38 GLU H H 37 8.648 8.648 8.858 -0.210 17879 10710 1 17 . 1 1 39 39 LYS N N 38 115.020 115.020 118.219 -3.199 17879 10711 1 17 . 1 1 39 39 LYS HA H 38 4.188 4.188 4.019 0.169 17879 10712 1 17 . 1 1 39 39 LYS C C 38 176.244 176.244 177.715 -1.471 17879 10713 1 17 . 1 1 39 39 LYS CA C 38 56.564 56.564 57.779 -1.215 17879 10714 1 17 . 1 1 39 39 LYS CB C 38 31.484 31.484 31.901 -0.417 17879 10715 1 17 . 1 1 39 39 LYS H H 38 8.494 8.494 8.237 0.257 17879 10716 1 17 . 1 1 40 40 SER N N 39 113.091 113.091 113.602 -0.511 17879 10717 1 17 . 1 1 40 40 SER HA H 39 4.535 4.535 4.378 0.157 17879 10718 1 17 . 1 1 40 40 SER C C 39 174.896 174.896 173.960 0.936 17879 10719 1 17 . 1 1 40 40 SER CA C 39 57.985 57.985 58.435 -0.450 17879 10720 1 17 . 1 1 40 40 SER CB C 39 65.000 65.000 63.996 1.004 17879 10721 1 17 . 1 1 40 40 SER H H 39 7.346 7.346 7.531 -0.185 17879 10722 1 17 . 1 1 41 41 ASP N N 40 127.375 127.375 119.853 7.522 17879 10723 1 17 . 1 1 41 41 ASP HA H 40 4.782 4.782 4.849 -0.067 17879 10724 1 17 . 1 1 41 41 ASP C C 40 175.205 175.205 175.779 -0.574 17879 10725 1 17 . 1 1 41 41 ASP CA C 40 53.549 53.549 53.302 0.247 17879 10726 1 17 . 1 1 41 41 ASP CB C 40 39.916 39.916 41.532 -1.616 17879 10727 1 17 . 1 1 41 41 ASP H H 40 8.744 8.744 8.544 0.200 17879 10728 1 17 . 1 1 42 42 ILE N N 41 122.943 122.943 117.701 5.242 17879 10729 1 17 . 1 1 42 42 ILE HA H 41 4.661 4.661 4.671 -0.010 17879 10730 1 17 . 1 1 42 42 ILE CA C 41 59.133 59.133 57.971 1.162 17879 10731 1 17 . 1 1 42 42 ILE CB C 41 40.534 40.534 39.084 1.450 17879 10732 1 17 . 1 1 42 42 ILE H H 41 7.649 7.649 7.686 -0.037 17879 10733 1 17 . 1 1 43 43 PRO HA H 42 4.414 4.414 4.559 -0.145 17879 10734 1 17 . 1 1 43 43 PRO C C 42 175.952 175.952 176.297 -0.345 17879 10735 1 17 . 1 1 43 43 PRO CA C 42 63.829 63.829 62.584 1.245 17879 10736 1 17 . 1 1 43 43 PRO CB C 42 32.895 32.895 32.271 0.624 17879 10737 1 17 . 1 1 44 44 GLU N N 43 120.369 120.369 122.995 -2.626 17879 10738 1 17 . 1 1 44 44 GLU HA H 43 4.298 4.298 4.345 -0.047 17879 10739 1 17 . 1 1 44 44 GLU C C 43 175.316 175.316 176.885 -1.569 17879 10740 1 17 . 1 1 44 44 GLU CA C 43 56.400 56.400 56.375 0.025 17879 10741 1 17 . 1 1 44 44 GLU CB C 43 31.282 31.282 30.755 0.527 17879 10742 1 17 . 1 1 44 44 GLU H H 43 8.393 8.393 8.461 -0.068 17879 10743 1 17 . 1 1 45 45 ILE N N 44 123.670 123.670 123.263 0.407 17879 10744 1 17 . 1 1 45 45 ILE HA H 44 4.419 4.419 4.202 0.217 17879 10745 1 17 . 1 1 45 45 ILE C C 44 174.786 174.786 176.368 -1.582 17879 10746 1 17 . 1 1 45 45 ILE CA C 44 61.027 61.027 61.349 -0.322 17879 10747 1 17 . 1 1 45 45 ILE CB C 44 40.509 40.509 39.553 0.956 17879 10748 1 17 . 1 1 45 45 ILE H H 44 8.067 8.067 8.183 -0.116 17879 10749 1 17 . 1 1 46 46 ASP N N 45 123.340 123.340 122.035 1.305 17879 10750 1 17 . 1 1 46 46 ASP HA H 45 4.412 4.412 4.571 -0.159 17879 10751 1 17 . 1 1 46 46 ASP C C 45 175.494 175.494 175.863 -0.369 17879 10752 1 17 . 1 1 46 46 ASP CA C 45 55.467 55.467 56.492 -1.025 17879 10753 1 17 . 1 1 46 46 ASP CB C 45 40.320 40.320 41.308 -0.988 17879 10754 1 17 . 1 1 46 46 ASP H H 45 8.468 8.468 8.791 -0.323 17879 10755 1 17 . 1 1 47 47 LYS N N 46 121.295 121.295 115.856 5.439 17879 10756 1 17 . 1 1 47 47 LYS HA H 46 4.428 4.428 5.123 -0.695 17879 10757 1 17 . 1 1 47 47 LYS CA C 46 56.020 56.020 53.811 2.209 17879 10758 1 17 . 1 1 47 47 LYS CB C 46 34.644 34.644 35.809 -1.165 17879 10759 1 17 . 1 1 47 47 LYS H H 46 7.319 7.319 7.680 -0.361 17879 10760 1 17 . 1 1 48 48 ARG N N 47 124.949 124.949 118.971 5.978 17879 10761 1 17 . 1 1 48 48 ARG HA H 47 5.271 5.271 4.795 0.476 17879 10762 1 17 . 1 1 48 48 ARG C C 47 173.546 173.546 174.809 -1.263 17879 10763 1 17 . 1 1 48 48 ARG CA C 47 55.581 55.581 55.046 0.535 17879 10764 1 17 . 1 1 48 48 ARG CB C 47 32.992 32.992 30.493 2.499 17879 10765 1 17 . 1 1 48 48 ARG H H 47 8.558 8.558 8.104 0.454 17879 10766 1 17 . 1 1 49 49 LYS N N 48 122.812 122.812 122.987 -0.175 17879 10767 1 17 . 1 1 49 49 LYS HA H 48 5.030 5.030 4.107 0.923 17879 10768 1 17 . 1 1 49 49 LYS C C 48 174.301 174.301 173.637 0.664 17879 10769 1 17 . 1 1 49 49 LYS CA C 48 55.042 55.042 56.057 -1.016 17879 10770 1 17 . 1 1 49 49 LYS CB C 48 34.065 34.065 33.689 0.376 17879 10771 1 17 . 1 1 49 49 LYS H H 48 7.440 7.440 8.280 -0.840 17879 10772 1 17 . 1 1 50 50 TYR N N 49 124.842 124.842 124.734 0.108 17879 10773 1 17 . 1 1 50 50 TYR HA H 49 4.721 4.721 4.666 0.055 17879 10774 1 17 . 1 1 50 50 TYR C C 49 173.674 173.674 173.977 -0.303 17879 10775 1 17 . 1 1 50 50 TYR CA C 49 57.192 57.192 57.120 0.072 17879 10776 1 17 . 1 1 50 50 TYR CB C 49 43.123 43.123 42.563 0.560 17879 10777 1 17 . 1 1 50 50 TYR H H 49 9.590 9.590 9.073 0.517 17879 10778 1 17 . 1 1 51 51 LEU N N 50 124.138 124.138 127.276 -3.138 17879 10779 1 17 . 1 1 51 51 LEU HA H 50 4.753 4.753 4.819 -0.066 17879 10780 1 17 . 1 1 51 51 LEU C C 50 176.050 176.050 175.515 0.535 17879 10781 1 17 . 1 1 51 51 LEU CA C 50 53.158 53.158 54.219 -1.061 17879 10782 1 17 . 1 1 51 51 LEU CB C 50 41.155 41.155 42.094 -0.939 17879 10783 1 17 . 1 1 51 51 LEU H H 50 8.901 8.901 8.817 0.084 17879 10784 1 17 . 1 1 52 52 VAL N N 51 123.181 123.181 124.958 -1.777 17879 10785 1 17 . 1 1 52 52 VAL HA H 51 3.948 3.948 4.459 -0.511 17879 10786 1 17 . 1 1 52 52 VAL CA C 51 59.724 59.724 59.685 0.039 17879 10787 1 17 . 1 1 52 52 VAL CB C 51 33.605 33.605 34.408 -0.803 17879 10788 1 17 . 1 1 52 52 VAL H H 51 8.513 8.513 8.023 0.490 17879 10789 1 17 . 1 1 53 53 PRO HA H 52 4.305 4.305 4.397 -0.092 17879 10790 1 17 . 1 1 53 53 PRO C C 52 176.607 176.607 175.959 0.648 17879 10791 1 17 . 1 1 53 53 PRO CA C 52 63.950 63.950 62.197 1.753 17879 10792 1 17 . 1 1 53 53 PRO CB C 52 32.163 32.163 32.432 -0.269 17879 10793 1 17 . 1 1 54 54 ALA N N 53 123.771 123.771 120.319 3.452 17879 10794 1 17 . 1 1 54 54 ALA HA H 53 3.720 3.720 4.177 -0.457 17879 10795 1 17 . 1 1 54 54 ALA C C 53 176.409 176.409 176.796 -0.387 17879 10796 1 17 . 1 1 54 54 ALA CA C 53 54.742 54.742 52.683 2.059 17879 10797 1 17 . 1 1 54 54 ALA CB C 53 18.948 18.948 19.268 -0.320 17879 10798 1 17 . 1 1 54 54 ALA H H 53 7.926 7.926 8.333 -0.407 17879 10799 1 17 . 1 1 55 55 ASP N N 54 111.152 111.152 117.855 -6.703 17879 10800 1 17 . 1 1 55 55 ASP HA H 54 4.621 4.621 4.601 0.020 17879 10801 1 17 . 1 1 55 55 ASP C C 54 175.823 175.823 176.433 -0.610 17879 10802 1 17 . 1 1 55 55 ASP CA C 54 52.744 52.744 54.487 -1.743 17879 10803 1 17 . 1 1 55 55 ASP CB C 54 39.861 39.861 41.369 -1.508 17879 10804 1 17 . 1 1 55 55 ASP H H 54 8.106 8.106 8.026 0.080 17879 10805 1 17 . 1 1 56 56 LEU N N 55 121.263 121.263 122.364 -1.101 17879 10806 1 17 . 1 1 56 56 LEU HA H 55 4.351 4.351 4.356 -0.005 17879 10807 1 17 . 1 1 56 56 LEU C C 55 177.459 177.459 176.720 0.739 17879 10808 1 17 . 1 1 56 56 LEU CA C 55 55.472 55.472 55.333 0.139 17879 10809 1 17 . 1 1 56 56 LEU CB C 55 43.593 43.593 43.230 0.363 17879 10810 1 17 . 1 1 56 56 LEU H H 55 7.295 7.295 7.766 -0.471 17879 10811 1 17 . 1 1 57 57 THR N N 56 114.222 114.222 116.850 -2.628 17879 10812 1 17 . 1 1 57 57 THR HA H 56 5.233 5.233 4.580 0.653 17879 10813 1 17 . 1 1 57 57 THR C C 56 176.538 176.538 175.657 0.881 17879 10814 1 17 . 1 1 57 57 THR CA C 56 60.318 60.318 61.261 -0.943 17879 10815 1 17 . 1 1 57 57 THR CB C 56 71.303 71.303 70.498 0.806 17879 10816 1 17 . 1 1 57 57 THR H H 56 8.476 8.476 8.182 0.294 17879 10817 1 17 . 1 1 58 58 VAL N N 57 122.331 122.331 120.230 2.101 17879 10818 1 17 . 1 1 58 58 VAL HA H 57 3.738 3.738 3.963 -0.225 17879 10819 1 17 . 1 1 58 58 VAL C C 57 178.743 178.743 177.818 0.925 17879 10820 1 17 . 1 1 58 58 VAL CA C 57 66.797 66.797 65.776 1.020 17879 10821 1 17 . 1 1 58 58 VAL CB C 57 31.801 31.801 31.885 -0.084 17879 10822 1 17 . 1 1 58 58 VAL H H 57 8.806 8.806 8.019 0.787 17879 10823 1 17 . 1 1 59 59 GLY N N 58 105.470 105.470 105.042 0.428 17879 10824 1 17 . 1 1 59 59 GLY C C 58 176.924 176.924 175.327 1.597 17879 10825 1 17 . 1 1 59 59 GLY CA C 58 47.317 47.317 46.461 0.856 17879 10826 1 17 . 1 1 59 59 GLY H H 58 9.381 9.381 7.751 1.630 17879 10827 1 17 . 1 1 60 60 GLN N N 59 121.492 121.492 118.175 3.317 17879 10828 1 17 . 1 1 60 60 GLN HA H 59 4.166 4.166 4.436 -0.270 17879 10829 1 17 . 1 1 60 60 GLN C C 59 178.605 178.605 177.423 1.182 17879 10830 1 17 . 1 1 60 60 GLN CA C 59 58.764 58.764 57.434 1.330 17879 10831 1 17 . 1 1 60 60 GLN CB C 59 29.129 29.129 29.430 -0.301 17879 10832 1 17 . 1 1 60 60 GLN H H 59 8.027 8.027 7.693 0.334 17879 10833 1 17 . 1 1 61 61 PHE N N 60 122.595 122.595 121.839 0.756 17879 10834 1 17 . 1 1 61 61 PHE HA H 60 4.291 4.291 4.330 -0.039 17879 10835 1 17 . 1 1 61 61 PHE C C 60 176.690 176.690 176.781 -0.091 17879 10836 1 17 . 1 1 61 61 PHE CA C 60 61.502 61.502 60.976 0.526 17879 10837 1 17 . 1 1 61 61 PHE CB C 60 39.155 39.155 39.692 -0.537 17879 10838 1 17 . 1 1 61 61 PHE H H 60 8.522 8.522 7.635 0.887 17879 10839 1 17 . 1 1 62 62 VAL N N 61 118.720 118.720 119.056 -0.336 17879 10840 1 17 . 1 1 62 62 VAL HA H 61 3.070 3.070 3.451 -0.381 17879 10841 1 17 . 1 1 62 62 VAL C C 61 176.872 176.872 177.360 -0.488 17879 10842 1 17 . 1 1 62 62 VAL CA C 61 67.040 67.040 66.763 0.277 17879 10843 1 17 . 1 1 62 62 VAL CB C 61 31.119 31.119 31.437 -0.318 17879 10844 1 17 . 1 1 62 62 VAL H H 61 8.705 8.705 7.977 0.728 17879 10845 1 17 . 1 1 63 63 TYR N N 62 118.462 118.462 118.762 -0.300 17879 10846 1 17 . 1 1 63 63 TYR HA H 62 3.987 3.987 4.139 -0.152 17879 10847 1 17 . 1 1 63 63 TYR C C 62 177.325 177.325 175.927 1.398 17879 10848 1 17 . 1 1 63 63 TYR CA C 62 61.685 61.685 60.404 1.281 17879 10849 1 17 . 1 1 63 63 TYR CB C 62 37.906 37.906 37.829 0.077 17879 10850 1 17 . 1 1 63 63 TYR H H 62 7.373 7.373 8.084 -0.711 17879 10851 1 17 . 1 1 64 64 VAL N N 63 119.137 119.137 116.771 2.366 17879 10852 1 17 . 1 1 64 64 VAL HA H 63 3.342 3.342 3.070 0.272 17879 10853 1 17 . 1 1 64 64 VAL C C 63 178.326 178.326 177.647 0.679 17879 10854 1 17 . 1 1 64 64 VAL CA C 63 66.615 66.615 64.897 1.718 17879 10855 1 17 . 1 1 64 64 VAL CB C 63 31.157 31.157 31.622 -0.465 17879 10856 1 17 . 1 1 64 64 VAL H H 63 7.376 7.376 7.546 -0.170 17879 10857 1 17 . 1 1 65 65 ILE N N 64 118.858 118.858 118.783 0.075 17879 10858 1 17 . 1 1 65 65 ILE HA H 64 3.279 3.279 3.653 -0.374 17879 10859 1 17 . 1 1 65 65 ILE C C 64 177.653 177.653 178.031 -0.378 17879 10860 1 17 . 1 1 65 65 ILE CA C 64 63.682 63.682 61.327 2.355 17879 10861 1 17 . 1 1 65 65 ILE CB C 64 36.150 36.150 35.829 0.321 17879 10862 1 17 . 1 1 65 65 ILE H H 64 7.366 7.366 7.578 -0.212 17879 10863 1 17 . 1 1 66 66 ARG N N 65 118.729 118.729 118.172 0.557 17879 10864 1 17 . 1 1 66 66 ARG HA H 65 3.397 3.397 4.045 -0.648 17879 10865 1 17 . 1 1 66 66 ARG C C 65 178.284 178.284 177.687 0.597 17879 10866 1 17 . 1 1 66 66 ARG CA C 65 60.078 60.078 57.600 2.478 17879 10867 1 17 . 1 1 66 66 ARG CB C 65 30.022 30.022 29.984 0.038 17879 10868 1 17 . 1 1 66 66 ARG H H 65 8.463 8.463 8.219 0.244 17879 10869 1 17 . 1 1 67 67 LYS N N 66 116.643 116.643 119.279 -2.636 17879 10870 1 17 . 1 1 67 67 LYS HA H 66 3.951 3.951 4.165 -0.214 17879 10871 1 17 . 1 1 67 67 LYS C C 66 178.989 178.989 178.292 0.697 17879 10872 1 17 . 1 1 67 67 LYS CA C 66 58.347 58.347 58.101 0.246 17879 10873 1 17 . 1 1 67 67 LYS CB C 66 31.938 31.938 32.298 -0.360 17879 10874 1 17 . 1 1 67 67 LYS H H 66 7.536 7.536 7.669 -0.133 17879 10875 1 17 . 1 1 68 68 ARG N N 67 119.051 119.051 119.634 -0.583 17879 10876 1 17 . 1 1 68 68 ARG HA H 67 4.104 4.104 4.036 0.068 17879 10877 1 17 . 1 1 68 68 ARG C C 67 178.122 178.122 178.669 -0.547 17879 10878 1 17 . 1 1 68 68 ARG CA C 67 58.182 58.182 58.728 -0.546 17879 10879 1 17 . 1 1 68 68 ARG CB C 67 30.273 30.273 30.204 0.069 17879 10880 1 17 . 1 1 68 68 ARG H H 67 7.783 7.783 7.684 0.099 17879 10881 1 17 . 1 1 69 69 ILE N N 68 112.456 112.456 113.310 -0.854 17879 10882 1 17 . 1 1 69 69 ILE HA H 68 4.223 4.223 3.995 0.228 17879 10883 1 17 . 1 1 69 69 ILE C C 68 174.568 174.568 175.484 -0.916 17879 10884 1 17 . 1 1 69 69 ILE CA C 68 61.502 61.502 61.665 -0.163 17879 10885 1 17 . 1 1 69 69 ILE CB C 68 38.643 38.643 37.837 0.806 17879 10886 1 17 . 1 1 69 69 ILE H H 68 7.675 7.675 7.202 0.473 17879 10887 1 17 . 1 1 70 70 MET N N 69 118.509 118.509 112.938 5.571 17879 10888 1 17 . 1 1 70 70 MET HA H 69 3.982 3.982 4.156 -0.174 17879 10889 1 17 . 1 1 70 70 MET C C 69 175.482 175.482 174.908 0.574 17879 10890 1 17 . 1 1 70 70 MET CA C 69 55.811 55.811 55.709 0.102 17879 10891 1 17 . 1 1 70 70 MET CB C 69 29.392 29.392 30.191 -0.799 17879 10892 1 17 . 1 1 70 70 MET H H 69 7.805 7.805 7.510 0.295 17879 10893 1 17 . 1 1 71 71 LEU N N 70 121.952 121.952 121.179 0.773 17879 10894 1 17 . 1 1 71 71 LEU HA H 70 4.603 4.603 4.314 0.289 17879 10895 1 17 . 1 1 71 71 LEU CA C 70 52.560 52.560 54.284 -1.724 17879 10896 1 17 . 1 1 71 71 LEU CB C 70 44.045 44.045 41.796 2.249 17879 10897 1 17 . 1 1 71 71 LEU H H 70 7.493 7.493 7.623 -0.130 17879 10898 1 17 . 1 1 72 72 PRO HA H 71 4.678 4.678 4.821 -0.143 17879 10899 1 17 . 1 1 72 72 PRO CA C 71 62.124 62.124 61.089 1.035 17879 10900 1 17 . 1 1 72 72 PRO CB C 71 31.307 31.307 31.064 0.243 17879 10901 1 17 . 1 1 73 73 PRO HA H 72 4.123 4.123 4.390 -0.267 17879 10902 1 17 . 1 1 73 73 PRO C C 72 177.052 177.052 176.696 0.356 17879 10903 1 17 . 1 1 73 73 PRO CA C 72 64.924 64.924 64.289 0.635 17879 10904 1 17 . 1 1 73 73 PRO CB C 72 32.049 32.049 32.071 -0.022 17879 10905 1 17 . 1 1 74 74 GLU N N 73 115.091 115.091 115.861 -0.770 17879 10906 1 17 . 1 1 74 74 GLU HA H 73 4.181 4.181 4.345 -0.164 17879 10907 1 17 . 1 1 74 74 GLU C C 73 176.459 176.459 176.588 -0.129 17879 10908 1 17 . 1 1 74 74 GLU CA C 73 57.774 57.774 56.374 1.400 17879 10909 1 17 . 1 1 74 74 GLU CB C 73 28.321 28.321 29.085 -0.765 17879 10910 1 17 . 1 1 74 74 GLU H H 73 9.065 9.065 8.599 0.466 17879 10911 1 17 . 1 1 75 75 LYS N N 74 121.755 121.755 119.317 2.438 17879 10912 1 17 . 1 1 75 75 LYS HA H 74 4.520 4.520 4.591 -0.071 17879 10913 1 17 . 1 1 75 75 LYS C C 74 174.789 174.789 174.342 0.447 17879 10914 1 17 . 1 1 75 75 LYS CA C 74 54.789 54.789 54.849 -0.060 17879 10915 1 17 . 1 1 75 75 LYS CB C 74 32.882 32.882 36.050 -3.168 17879 10916 1 17 . 1 1 75 75 LYS H H 74 7.797 7.797 7.488 0.309 17879 10917 1 17 . 1 1 76 76 ALA N N 75 127.848 127.848 120.664 7.184 17879 10918 1 17 . 1 1 76 76 ALA HA H 75 4.072 4.072 4.545 -0.473 17879 10919 1 17 . 1 1 76 76 ALA C C 75 175.710 175.710 175.008 0.702 17879 10920 1 17 . 1 1 76 76 ALA CA C 75 52.226 52.226 51.135 1.091 17879 10921 1 17 . 1 1 76 76 ALA CB C 75 20.956 20.956 21.454 -0.498 17879 10922 1 17 . 1 1 76 76 ALA H H 75 8.410 8.410 8.317 0.093 17879 10923 1 17 . 1 1 77 77 ILE N N 76 114.298 114.298 119.491 -5.193 17879 10924 1 17 . 1 1 77 77 ILE HA H 76 4.593 4.593 4.726 -0.133 17879 10925 1 17 . 1 1 77 77 ILE C C 76 172.379 172.379 173.441 -1.062 17879 10926 1 17 . 1 1 77 77 ILE CA C 76 59.699 59.699 60.925 -1.226 17879 10927 1 17 . 1 1 77 77 ILE CB C 76 41.218 41.218 41.449 -0.231 17879 10928 1 17 . 1 1 77 77 ILE H H 76 7.193 7.193 7.753 -0.560 17879 10929 1 17 . 1 1 78 78 PHE N N 77 124.094 124.094 124.889 -0.795 17879 10930 1 17 . 1 1 78 78 PHE HA H 77 4.556 4.556 4.882 -0.326 17879 10931 1 17 . 1 1 78 78 PHE C C 77 174.359 174.359 174.596 -0.237 17879 10932 1 17 . 1 1 78 78 PHE CA C 77 56.596 56.596 56.402 0.194 17879 10933 1 17 . 1 1 78 78 PHE CB C 77 42.370 42.370 42.933 -0.563 17879 10934 1 17 . 1 1 78 78 PHE H H 77 8.931 8.931 9.178 -0.247 17879 10935 1 17 . 1 1 79 79 ILE N N 78 117.724 117.724 121.937 -4.213 17879 10936 1 17 . 1 1 79 79 ILE HA H 78 5.233 5.233 4.352 0.881 17879 10937 1 17 . 1 1 79 79 ILE C C 78 173.334 173.334 174.486 -1.152 17879 10938 1 17 . 1 1 79 79 ILE CA C 78 58.130 58.130 60.796 -2.666 17879 10939 1 17 . 1 1 79 79 ILE CB C 78 39.360 39.360 37.950 1.410 17879 10940 1 17 . 1 1 79 79 ILE H H 78 8.025 8.025 8.840 -0.815 17879 10941 1 17 . 1 1 80 80 PHE N N 79 121.084 121.084 126.461 -5.377 17879 10942 1 17 . 1 1 80 80 PHE HA H 79 5.365 5.365 4.995 0.370 17879 10943 1 17 . 1 1 80 80 PHE C C 79 176.270 176.270 174.710 1.560 17879 10944 1 17 . 1 1 80 80 PHE CA C 79 55.948 55.948 56.556 -0.608 17879 10945 1 17 . 1 1 80 80 PHE CB C 79 42.763 42.763 42.152 0.611 17879 10946 1 17 . 1 1 80 80 PHE H H 79 9.210 9.210 8.926 0.284 17879 10947 1 17 . 1 1 81 81 VAL N N 80 117.974 117.974 123.409 -5.435 17879 10948 1 17 . 1 1 81 81 VAL HA H 80 4.520 4.520 4.466 0.054 17879 10949 1 17 . 1 1 81 81 VAL C C 80 175.699 175.699 175.615 0.084 17879 10950 1 17 . 1 1 81 81 VAL CA C 80 60.484 60.484 61.463 -0.979 17879 10951 1 17 . 1 1 81 81 VAL CB C 80 34.263 34.263 32.441 1.822 17879 10952 1 17 . 1 1 81 81 VAL H H 80 8.832 8.832 9.021 -0.189 17879 10953 1 17 . 1 1 82 82 ASN N N 81 127.615 127.615 125.043 2.572 17879 10954 1 17 . 1 1 82 82 ASN HA H 81 4.339 4.339 4.421 -0.082 17879 10955 1 17 . 1 1 82 82 ASN C C 81 174.036 174.036 174.631 -0.595 17879 10956 1 17 . 1 1 82 82 ASN CA C 81 55.231 55.231 54.579 0.652 17879 10957 1 17 . 1 1 82 82 ASN CB C 81 37.408 37.408 37.412 -0.004 17879 10958 1 17 . 1 1 82 82 ASN H H 81 9.689 9.689 9.326 0.363 17879 10959 1 17 . 1 1 83 83 ASP N N 82 112.699 112.699 111.278 1.421 17879 10960 1 17 . 1 1 83 83 ASP HA H 82 4.135 4.135 4.295 -0.160 17879 10961 1 17 . 1 1 83 83 ASP C C 82 174.560 174.560 174.585 -0.025 17879 10962 1 17 . 1 1 83 83 ASP CA C 82 55.638 55.638 55.234 0.404 17879 10963 1 17 . 1 1 83 83 ASP CB C 82 39.564 39.564 39.480 0.084 17879 10964 1 17 . 1 1 83 83 ASP H H 82 8.772 8.772 8.533 0.239 17879 10965 1 17 . 1 1 84 84 THR N N 83 112.567 112.567 114.402 -1.835 17879 10966 1 17 . 1 1 84 84 THR HA H 83 4.715 4.715 4.665 0.050 17879 10967 1 17 . 1 1 84 84 THR C C 83 172.200 172.200 172.914 -0.714 17879 10968 1 17 . 1 1 84 84 THR CA C 83 60.868 60.868 61.544 -0.676 17879 10969 1 17 . 1 1 84 84 THR CB C 83 72.206 72.206 71.342 0.864 17879 10970 1 17 . 1 1 84 84 THR H H 83 8.080 8.080 7.357 0.723 17879 10971 1 17 . 1 1 85 85 LEU N N 84 125.810 125.810 129.998 -4.188 17879 10972 1 17 . 1 1 85 85 LEU HA H 84 5.127 5.127 4.954 0.173 17879 10973 1 17 . 1 1 85 85 LEU CA C 84 51.927 51.927 51.709 0.218 17879 10974 1 17 . 1 1 85 85 LEU CB C 84 42.779 42.779 42.748 0.031 17879 10975 1 17 . 1 1 85 85 LEU H H 84 8.520 8.520 8.635 -0.115 17879 10976 1 17 . 1 1 86 86 PRO HA H 85 4.835 4.835 4.734 0.101 17879 10977 1 17 . 1 1 86 86 PRO CA C 85 60.910 60.910 61.236 -0.326 17879 10978 1 17 . 1 1 86 86 PRO CB C 85 30.852 30.852 31.058 -0.206 17879 10979 1 17 . 1 1 87 87 PRO HA H 86 4.577 4.577 4.565 0.012 17879 10980 1 17 . 1 1 87 87 PRO C C 86 177.830 177.830 176.525 1.305 17879 10981 1 17 . 1 1 87 87 PRO CA C 86 62.424 62.424 62.679 -0.255 17879 10982 1 17 . 1 1 87 87 PRO CB C 86 31.910 31.910 32.135 -0.225 17879 10983 1 17 . 1 1 88 88 THR N N 87 114.642 114.642 108.284 6.358 17879 10984 1 17 . 1 1 88 88 THR HA H 87 3.802 3.802 4.389 -0.587 17879 10985 1 17 . 1 1 88 88 THR C C 87 175.702 175.702 175.498 0.204 17879 10986 1 17 . 1 1 88 88 THR CA C 87 65.079 65.079 64.274 0.805 17879 10987 1 17 . 1 1 88 88 THR CB C 87 68.818 68.818 69.063 -0.245 17879 10988 1 17 . 1 1 88 88 THR H H 87 8.291 8.291 7.954 0.337 17879 10989 1 17 . 1 1 89 89 ALA N N 88 119.706 119.706 123.172 -3.466 17879 10990 1 17 . 1 1 89 89 ALA HA H 88 4.420 4.420 4.294 0.126 17879 10991 1 17 . 1 1 89 89 ALA C C 88 177.690 177.690 178.236 -0.546 17879 10992 1 17 . 1 1 89 89 ALA CA C 88 52.118 52.118 52.484 -0.367 17879 10993 1 17 . 1 1 89 89 ALA CB C 88 19.334 19.334 17.532 1.802 17879 10994 1 17 . 1 1 89 89 ALA H H 88 8.031 8.031 8.142 -0.111 17879 10995 1 17 . 1 1 90 90 ALA N N 89 120.388 120.388 122.256 -1.868 17879 10996 1 17 . 1 1 90 90 ALA HA H 89 4.179 4.179 4.358 -0.179 17879 10997 1 17 . 1 1 90 90 ALA C C 89 176.520 176.520 176.558 -0.038 17879 10998 1 17 . 1 1 90 90 ALA CA C 89 52.454 52.454 51.178 1.276 17879 10999 1 17 . 1 1 90 90 ALA CB C 89 19.301 19.301 17.203 2.098 17879 11000 1 17 . 1 1 90 90 ALA H H 89 7.465 7.465 8.117 -0.652 17879 11001 1 17 . 1 1 91 91 LEU N N 90 119.307 119.307 121.823 -2.516 17879 11002 1 17 . 1 1 91 91 LEU HA H 90 4.490 4.490 3.985 0.505 17879 11003 1 17 . 1 1 91 91 LEU C C 90 179.555 179.555 178.218 1.337 17879 11004 1 17 . 1 1 91 91 LEU CA C 90 54.578 54.578 56.228 -1.650 17879 11005 1 17 . 1 1 91 91 LEU CB C 90 42.689 42.689 41.987 0.702 17879 11006 1 17 . 1 1 91 91 LEU H H 90 8.458 8.458 8.424 0.034 17879 11007 1 17 . 1 1 92 92 MET N N 91 121.586 121.586 124.620 -3.034 17879 11008 1 17 . 1 1 92 92 MET HA H 91 4.231 4.231 4.030 0.201 17879 11009 1 17 . 1 1 92 92 MET C C 91 178.860 178.860 178.612 0.248 17879 11010 1 17 . 1 1 92 92 MET CA C 91 56.938 56.938 57.952 -1.014 17879 11011 1 17 . 1 1 92 92 MET CB C 91 29.372 29.372 31.254 -1.882 17879 11012 1 17 . 1 1 92 92 MET H H 91 9.203 9.203 8.399 0.804 17879 11013 1 17 . 1 1 93 93 SER N N 92 112.826 112.826 114.658 -1.832 17879 11014 1 17 . 1 1 93 93 SER HA H 92 3.978 3.978 4.209 -0.231 17879 11015 1 17 . 1 1 93 93 SER C C 92 176.318 176.318 175.807 0.511 17879 11016 1 17 . 1 1 93 93 SER CA C 92 60.871 60.871 60.228 0.643 17879 11017 1 17 . 1 1 93 93 SER CB C 92 61.575 61.575 63.029 -1.454 17879 11018 1 17 . 1 1 93 93 SER H H 92 8.717 8.717 8.520 0.197 17879 11019 1 17 . 1 1 94 94 ALA N N 93 126.735 126.735 123.395 3.340 17879 11020 1 17 . 1 1 94 94 ALA HA H 93 4.357 4.357 4.421 -0.064 17879 11021 1 17 . 1 1 94 94 ALA C C 93 180.789 180.789 178.272 2.517 17879 11022 1 17 . 1 1 94 94 ALA CA C 93 54.841 54.841 53.674 1.167 17879 11023 1 17 . 1 1 94 94 ALA CB C 93 18.603 18.603 19.244 -0.641 17879 11024 1 17 . 1 1 94 94 ALA H H 93 7.058 7.058 7.987 -0.929 17879 11025 1 17 . 1 1 95 95 ILE N N 94 118.720 118.720 118.049 0.671 17879 11026 1 17 . 1 1 95 95 ILE HA H 94 4.063 4.063 4.238 -0.175 17879 11027 1 17 . 1 1 95 95 ILE C C 94 178.326 178.326 177.467 0.859 17879 11028 1 17 . 1 1 95 95 ILE CA C 94 62.755 62.755 62.705 0.050 17879 11029 1 17 . 1 1 95 95 ILE CB C 94 36.410 36.410 38.115 -1.706 17879 11030 1 17 . 1 1 95 95 ILE H H 94 7.872 7.872 7.614 0.258 17879 11031 1 17 . 1 1 96 96 TYR N N 95 120.697 120.697 119.584 1.113 17879 11032 1 17 . 1 1 96 96 TYR HA H 95 4.007 4.007 4.141 -0.134 17879 11033 1 17 . 1 1 96 96 TYR C C 95 176.022 176.022 176.059 -0.037 17879 11034 1 17 . 1 1 96 96 TYR CA C 95 62.187 62.187 60.308 1.879 17879 11035 1 17 . 1 1 96 96 TYR CB C 95 39.093 39.093 38.682 0.410 17879 11036 1 17 . 1 1 96 96 TYR H H 95 8.841 8.841 8.061 0.780 17879 11037 1 17 . 1 1 97 97 GLN N N 96 114.982 114.982 116.518 -1.536 17879 11038 1 17 . 1 1 97 97 GLN HA H 96 3.778 3.778 4.247 -0.469 17879 11039 1 17 . 1 1 97 97 GLN C C 96 177.250 177.250 176.058 1.192 17879 11040 1 17 . 1 1 97 97 GLN CA C 96 58.719 58.719 56.646 2.073 17879 11041 1 17 . 1 1 97 97 GLN CB C 96 28.286 28.286 28.868 -0.582 17879 11042 1 17 . 1 1 97 97 GLN H H 96 7.757 7.757 8.132 -0.375 17879 11043 1 17 . 1 1 98 98 GLU N N 97 114.340 114.340 118.297 -3.957 17879 11044 1 17 . 1 1 98 98 GLU HA H 97 4.099 4.099 4.265 -0.166 17879 11045 1 17 . 1 1 98 98 GLU C C 97 178.140 178.140 176.808 1.332 17879 11046 1 17 . 1 1 98 98 GLU CA C 97 57.886 57.886 56.583 1.303 17879 11047 1 17 . 1 1 98 98 GLU CB C 97 31.589 31.589 31.306 0.283 17879 11048 1 17 . 1 1 98 98 GLU H H 97 7.117 7.117 7.842 -0.725 17879 11049 1 17 . 1 1 99 99 HIS N N 98 113.377 113.377 117.471 -4.094 17879 11050 1 17 . 1 1 99 99 HIS HA H 98 4.829 4.829 4.783 0.046 17879 11051 1 17 . 1 1 99 99 HIS C C 98 175.856 175.856 174.319 1.537 17879 11052 1 17 . 1 1 99 99 HIS CA C 98 56.738 56.738 54.719 2.019 17879 11053 1 17 . 1 1 99 99 HIS CB C 98 32.930 32.930 30.779 2.151 17879 11054 1 17 . 1 1 99 99 HIS H H 98 8.247 8.247 8.017 0.230 17879 11055 1 17 . 1 1 100 100 LYS N N 99 120.905 120.905 118.782 2.123 17879 11056 1 17 . 1 1 100 100 LYS HA H 99 3.994 3.994 3.746 0.248 17879 11057 1 17 . 1 1 100 100 LYS C C 99 174.832 174.832 175.753 -0.921 17879 11058 1 17 . 1 1 100 100 LYS CA C 99 57.693 57.693 56.737 0.956 17879 11059 1 17 . 1 1 100 100 LYS CB C 99 31.703 31.703 32.499 -0.797 17879 11060 1 17 . 1 1 100 100 LYS H H 99 8.065 8.065 7.559 0.506 17879 11061 1 17 . 1 1 101 101 ASP N N 100 124.188 124.188 117.653 6.535 17879 11062 1 17 . 1 1 101 101 ASP HA H 100 4.765 4.765 4.878 -0.113 17879 11063 1 17 . 1 1 101 101 ASP C C 100 177.692 177.692 176.197 1.495 17879 11064 1 17 . 1 1 101 101 ASP CA C 100 54.030 54.030 52.270 1.760 17879 11065 1 17 . 1 1 101 101 ASP CB C 100 43.429 43.429 43.725 -0.296 17879 11066 1 17 . 1 1 101 101 ASP H H 100 9.027 9.027 8.001 1.026 17879 11067 1 17 . 1 1 102 102 LYS N N 101 125.898 125.898 119.969 5.929 17879 11068 1 17 . 1 1 102 102 LYS HA H 101 4.239 4.239 4.200 0.039 17879 11069 1 17 . 1 1 102 102 LYS C C 101 178.053 178.053 177.477 0.576 17879 11070 1 17 . 1 1 102 102 LYS CA C 101 59.482 59.482 59.071 0.411 17879 11071 1 17 . 1 1 102 102 LYS CB C 101 32.821 32.821 32.736 0.085 17879 11072 1 17 . 1 1 102 102 LYS H H 101 8.678 8.678 8.783 -0.105 17879 11073 1 17 . 1 1 103 103 ASP N N 102 119.326 119.326 115.833 3.493 17879 11074 1 17 . 1 1 103 103 ASP HA H 102 4.127 4.127 4.410 -0.283 17879 11075 1 17 . 1 1 103 103 ASP C C 102 176.833 176.833 176.772 0.061 17879 11076 1 17 . 1 1 103 103 ASP CA C 102 54.666 54.666 54.571 0.095 17879 11077 1 17 . 1 1 103 103 ASP CB C 102 39.848 39.848 40.874 -1.026 17879 11078 1 17 . 1 1 103 103 ASP H H 102 10.276 10.276 8.303 1.973 17879 11079 1 17 . 1 1 104 104 GLY N N 103 106.059 106.059 107.319 -1.260 17879 11080 1 17 . 1 1 104 104 GLY C C 103 174.655 174.655 174.813 -0.158 17879 11081 1 17 . 1 1 104 104 GLY CA C 103 45.319 45.319 45.422 -0.103 17879 11082 1 17 . 1 1 104 104 GLY H H 103 8.173 8.173 8.096 0.077 17879 11083 1 17 . 1 1 105 105 PHE N N 104 121.781 121.781 122.159 -0.378 17879 11084 1 17 . 1 1 105 105 PHE HA H 104 4.682 4.682 4.505 0.177 17879 11085 1 17 . 1 1 105 105 PHE C C 104 174.830 174.830 175.999 -1.169 17879 11086 1 17 . 1 1 105 105 PHE CA C 104 59.377 59.377 59.756 -0.379 17879 11087 1 17 . 1 1 105 105 PHE CB C 104 39.938 39.938 39.364 0.575 17879 11088 1 17 . 1 1 105 105 PHE H H 104 9.600 9.600 7.555 2.045 17879 11089 1 17 . 1 1 106 106 LEU N N 105 119.929 119.929 123.578 -3.649 17879 11090 1 17 . 1 1 106 106 LEU HA H 105 4.897 4.897 4.251 0.646 17879 11091 1 17 . 1 1 106 106 LEU C C 105 173.947 173.947 176.172 -2.225 17879 11092 1 17 . 1 1 106 106 LEU CA C 105 53.463 53.463 54.664 -1.201 17879 11093 1 17 . 1 1 106 106 LEU CB C 105 45.066 45.066 43.287 1.779 17879 11094 1 17 . 1 1 106 106 LEU H H 105 8.376 8.376 8.535 -0.159 17879 11095 1 17 . 1 1 107 107 TYR N N 106 127.637 127.637 120.226 7.411 17879 11096 1 17 . 1 1 107 107 TYR HA H 106 4.992 4.992 4.724 0.268 17879 11097 1 17 . 1 1 107 107 TYR C C 106 176.099 176.099 174.847 1.252 17879 11098 1 17 . 1 1 107 107 TYR CA C 106 58.893 58.893 57.392 1.501 17879 11099 1 17 . 1 1 107 107 TYR CB C 106 38.140 38.140 39.297 -1.157 17879 11100 1 17 . 1 1 107 107 TYR H H 106 9.124 9.124 8.746 0.378 17879 11101 1 17 . 1 1 108 108 VAL N N 107 121.630 121.630 122.265 -0.635 17879 11102 1 17 . 1 1 108 108 VAL HA H 107 5.135 5.135 4.193 0.942 17879 11103 1 17 . 1 1 108 108 VAL C C 107 175.722 175.722 175.704 0.018 17879 11104 1 17 . 1 1 108 108 VAL CA C 107 59.587 59.587 61.647 -2.060 17879 11105 1 17 . 1 1 108 108 VAL CB C 107 34.787 34.787 33.540 1.247 17879 11106 1 17 . 1 1 108 108 VAL H H 107 9.560 9.560 7.940 1.620 17879 11107 1 17 . 1 1 109 109 THR N N 108 119.845 119.845 117.160 2.685 17879 11108 1 17 . 1 1 109 109 THR HA H 108 6.155 6.155 4.896 1.259 17879 11109 1 17 . 1 1 109 109 THR C C 108 174.158 174.158 173.760 0.398 17879 11110 1 17 . 1 1 109 109 THR CA C 108 59.869 59.869 62.047 -2.178 17879 11111 1 17 . 1 1 109 109 THR CB C 108 72.268 72.268 70.105 2.163 17879 11112 1 17 . 1 1 109 109 THR H H 108 9.061 9.061 8.216 0.845 17879 11113 1 17 . 1 1 110 110 TYR N N 109 119.706 119.706 125.661 -5.955 17879 11114 1 17 . 1 1 110 110 TYR HA H 109 6.332 6.332 5.791 0.541 17879 11115 1 17 . 1 1 110 110 TYR C C 109 173.366 173.366 173.917 -0.551 17879 11116 1 17 . 1 1 110 110 TYR CA C 109 54.655 54.655 55.004 -0.349 17879 11117 1 17 . 1 1 110 110 TYR CB C 109 42.250 42.250 40.257 1.993 17879 11118 1 17 . 1 1 110 110 TYR H H 109 8.461 8.461 9.444 -0.983 17879 11119 1 17 . 1 1 111 111 SER N N 110 112.907 112.907 117.276 -4.369 17879 11120 1 17 . 1 1 111 111 SER HA H 110 4.745 4.745 4.806 -0.061 17879 11121 1 17 . 1 1 111 111 SER C C 110 173.692 173.692 174.881 -1.189 17879 11122 1 17 . 1 1 111 111 SER CA C 110 56.044 56.044 55.781 0.263 17879 11123 1 17 . 1 1 111 111 SER CB C 110 66.177 66.177 65.922 0.255 17879 11124 1 17 . 1 1 111 111 SER H H 110 9.089 9.089 9.096 -0.007 17879 11125 1 17 . 1 1 112 112 GLY N N 111 111.054 111.054 110.086 0.968 17879 11126 1 17 . 1 1 112 112 GLY C C 111 173.331 173.331 173.577 -0.246 17879 11127 1 17 . 1 1 112 112 GLY CA C 111 45.341 45.341 45.051 0.290 17879 11128 1 17 . 1 1 112 112 GLY H H 111 8.443 8.443 9.018 -0.575 17879 11129 1 17 . 1 1 113 113 GLU N N 112 118.801 118.801 119.367 -0.566 17879 11130 1 17 . 1 1 113 113 GLU HA H 112 4.660 4.660 4.615 0.045 17879 11131 1 17 . 1 1 113 113 GLU C C 112 174.538 174.538 175.018 -0.480 17879 11132 1 17 . 1 1 113 113 GLU CA C 112 55.642 55.642 55.363 0.279 17879 11133 1 17 . 1 1 113 113 GLU CB C 112 32.930 32.930 31.275 1.655 17879 11134 1 17 . 1 1 113 113 GLU H H 112 8.413 8.413 7.513 0.900 17879 11135 1 17 . 1 1 114 114 ASN N N 113 118.152 118.152 121.224 -3.072 17879 11136 1 17 . 1 1 114 114 ASN HA H 113 4.187 4.187 4.420 -0.233 17879 11137 1 17 . 1 1 114 114 ASN C C 113 175.011 175.011 174.335 0.676 17879 11138 1 17 . 1 1 114 114 ASN CA C 113 51.910 51.910 53.339 -1.429 17879 11139 1 17 . 1 1 114 114 ASN CB C 113 36.865 36.865 38.453 -1.588 17879 11140 1 17 . 1 1 114 114 ASN H H 113 8.207 8.207 8.763 -0.556 17879 11141 1 17 . 1 1 115 115 THR N N 114 112.887 112.887 115.634 -2.747 17879 11142 1 17 . 1 1 115 115 THR HA H 114 4.190 4.190 4.495 -0.305 17879 11143 1 17 . 1 1 115 115 THR C C 114 173.575 173.575 173.585 -0.010 17879 11144 1 17 . 1 1 115 115 THR CA C 114 61.149 61.149 60.849 0.300 17879 11145 1 17 . 1 1 115 115 THR CB C 114 69.859 69.859 70.288 -0.429 17879 11146 1 17 . 1 1 115 115 THR H H 114 7.411 7.411 7.425 -0.014 17879 11147 1 17 . 1 1 116 116 PHE N N 115 121.474 121.474 117.619 3.855 17879 11148 1 17 . 1 1 116 116 PHE HA H 115 4.451 4.451 4.577 -0.126 17879 11149 1 17 . 1 1 116 116 PHE C C 115 175.078 175.078 174.276 0.802 17879 11150 1 17 . 1 1 116 116 PHE CA C 115 57.681 57.681 56.318 1.363 17879 11151 1 17 . 1 1 116 116 PHE CB C 115 39.569 39.569 38.807 0.762 17879 11152 1 17 . 1 1 116 116 PHE H H 115 8.021 8.021 7.560 0.461 17879 11153 1 18 . 1 1 2 2 MET N N 1 122.410 122.410 119.280 3.130 17879 11154 1 18 . 1 1 2 2 MET HA H 1 4.455 4.455 4.969 -0.514 17879 11155 1 18 . 1 1 2 2 MET C C 1 175.655 175.655 174.339 1.316 17879 11156 1 18 . 1 1 2 2 MET CA C 1 55.438 55.438 54.260 1.178 17879 11157 1 18 . 1 1 2 2 MET CB C 1 33.126 33.126 36.941 -3.815 17879 11158 1 18 . 1 1 2 2 MET H H 1 8.425 8.425 8.834 -0.409 17879 11159 1 18 . 1 1 3 3 LYS N N 2 123.656 123.656 119.217 4.439 17879 11160 1 18 . 1 1 3 3 LYS HA H 2 4.326 4.326 4.970 -0.644 17879 11161 1 18 . 1 1 3 3 LYS C C 2 176.266 176.266 175.969 0.297 17879 11162 1 18 . 1 1 3 3 LYS CA C 2 56.348 56.348 56.045 0.303 17879 11163 1 18 . 1 1 3 3 LYS CB C 2 33.219 33.219 34.148 -0.929 17879 11164 1 18 . 1 1 3 3 LYS H H 2 8.512 8.512 8.550 -0.038 17879 11165 1 18 . 1 1 4 4 SER N N 3 118.350 118.350 115.792 2.558 17879 11166 1 18 . 1 1 4 4 SER HA H 3 4.631 4.631 5.225 -0.594 17879 11167 1 18 . 1 1 4 4 SER C C 3 175.421 175.421 174.258 1.163 17879 11168 1 18 . 1 1 4 4 SER CA C 3 57.629 57.629 57.511 0.118 17879 11169 1 18 . 1 1 4 4 SER CB C 3 64.079 64.079 64.551 -0.472 17879 11170 1 18 . 1 1 4 4 SER H H 3 8.426 8.426 7.822 0.604 17879 11171 1 18 . 1 1 5 5 THR N N 4 127.775 127.775 114.105 13.670 17879 11172 1 18 . 1 1 5 5 THR HA H 4 4.482 4.482 4.498 -0.016 17879 11173 1 18 . 1 1 5 5 THR C C 4 174.680 174.680 174.818 -0.138 17879 11174 1 18 . 1 1 5 5 THR CA C 4 62.001 62.001 62.397 -0.396 17879 11175 1 18 . 1 1 5 5 THR CB C 4 70.137 70.137 69.541 0.596 17879 11176 1 18 . 1 1 5 5 THR H H 4 9.971 9.971 8.458 1.513 17879 11177 1 18 . 1 1 6 6 PHE N N 5 123.021 123.021 122.463 0.558 17879 11178 1 18 . 1 1 6 6 PHE HA H 5 4.125 4.125 4.098 0.027 17879 11179 1 18 . 1 1 6 6 PHE C C 5 177.064 177.064 175.869 1.195 17879 11180 1 18 . 1 1 6 6 PHE CA C 5 63.041 63.041 61.158 1.883 17879 11181 1 18 . 1 1 6 6 PHE CB C 5 40.828 40.828 39.123 1.705 17879 11182 1 18 . 1 1 6 6 PHE H H 5 8.863 8.863 8.674 0.189 17879 11183 1 18 . 1 1 7 7 LYS N N 6 114.006 114.006 115.784 -1.778 17879 11184 1 18 . 1 1 7 7 LYS HA H 6 3.916 3.916 4.110 -0.194 17879 11185 1 18 . 1 1 7 7 LYS C C 6 177.535 177.535 176.032 1.503 17879 11186 1 18 . 1 1 7 7 LYS CA C 6 60.026 60.026 57.327 2.699 17879 11187 1 18 . 1 1 7 7 LYS CB C 6 33.611 33.611 32.896 0.715 17879 11188 1 18 . 1 1 7 7 LYS H H 6 8.661 8.661 8.379 0.282 17879 11189 1 18 . 1 1 8 8 SER N N 7 111.149 111.149 112.155 -1.006 17879 11190 1 18 . 1 1 8 8 SER HA H 7 4.275 4.275 4.372 -0.097 17879 11191 1 18 . 1 1 8 8 SER C C 7 175.689 175.689 175.588 0.101 17879 11192 1 18 . 1 1 8 8 SER CA C 7 60.007 60.007 59.700 0.307 17879 11193 1 18 . 1 1 8 8 SER CB C 7 63.759 63.759 63.067 0.692 17879 11194 1 18 . 1 1 8 8 SER H H 7 7.552 7.552 7.268 0.284 17879 11195 1 18 . 1 1 9 9 GLU N N 8 122.296 122.296 120.227 2.069 17879 11196 1 18 . 1 1 9 9 GLU HA H 8 3.818 3.818 4.158 -0.340 17879 11197 1 18 . 1 1 9 9 GLU C C 8 176.068 176.068 175.376 0.692 17879 11198 1 18 . 1 1 9 9 GLU CA C 8 58.137 58.137 57.411 0.726 17879 11199 1 18 . 1 1 9 9 GLU CB C 8 30.965 30.965 30.211 0.754 17879 11200 1 18 . 1 1 9 9 GLU H H 8 7.924 7.924 7.634 0.290 17879 11201 1 18 . 1 1 10 10 TYR N N 9 115.131 115.131 113.568 1.563 17879 11202 1 18 . 1 1 10 10 TYR HA H 9 5.066 5.066 4.942 0.124 17879 11203 1 18 . 1 1 10 10 TYR CA C 9 53.958 53.958 53.510 0.448 17879 11204 1 18 . 1 1 10 10 TYR CB C 9 41.055 41.055 38.094 2.961 17879 11205 1 18 . 1 1 10 10 TYR H H 9 7.052 7.052 6.649 0.403 17879 11206 1 18 . 1 1 11 11 PRO HA H 10 4.708 4.708 4.688 0.020 17879 11207 1 18 . 1 1 11 11 PRO C C 10 177.384 177.384 177.053 0.331 17879 11208 1 18 . 1 1 11 11 PRO CA C 10 62.279 62.279 62.038 0.240 17879 11209 1 18 . 1 1 11 11 PRO CB C 10 33.087 33.087 32.826 0.261 17879 11210 1 18 . 1 1 12 12 PHE N N 11 125.307 125.307 121.019 4.288 17879 11211 1 18 . 1 1 12 12 PHE HA H 11 3.883 3.883 4.333 -0.450 17879 11212 1 18 . 1 1 12 12 PHE C C 11 176.157 176.157 177.359 -1.202 17879 11213 1 18 . 1 1 12 12 PHE CA C 11 63.156 63.156 62.297 0.859 17879 11214 1 18 . 1 1 12 12 PHE CB C 11 39.935 39.935 39.223 0.712 17879 11215 1 18 . 1 1 12 12 PHE H H 11 9.385 9.385 8.716 0.669 17879 11216 1 18 . 1 1 13 13 GLU N N 12 115.356 115.356 119.839 -4.483 17879 11217 1 18 . 1 1 13 13 GLU HA H 12 3.857 3.857 3.889 -0.032 17879 11218 1 18 . 1 1 13 13 GLU C C 12 179.598 179.598 178.461 1.137 17879 11219 1 18 . 1 1 13 13 GLU CA C 12 60.317 60.317 60.758 -0.441 17879 11220 1 18 . 1 1 13 13 GLU CB C 12 28.642 28.642 28.645 -0.003 17879 11221 1 18 . 1 1 13 13 GLU H H 12 9.800 9.800 8.817 0.983 17879 11222 1 18 . 1 1 14 14 LYS N N 13 118.194 118.194 117.713 0.481 17879 11223 1 18 . 1 1 14 14 LYS HA H 13 4.246 4.246 3.958 0.288 17879 11224 1 18 . 1 1 14 14 LYS C C 13 178.804 178.804 178.704 0.100 17879 11225 1 18 . 1 1 14 14 LYS CA C 13 58.143 58.143 58.720 -0.577 17879 11226 1 18 . 1 1 14 14 LYS CB C 13 32.770 32.770 31.983 0.787 17879 11227 1 18 . 1 1 14 14 LYS H H 13 7.160 7.160 8.491 -1.331 17879 11228 1 18 . 1 1 15 15 ARG N N 14 120.949 120.949 117.406 3.543 17879 11229 1 18 . 1 1 15 15 ARG HA H 14 3.892 3.892 4.177 -0.285 17879 11230 1 18 . 1 1 15 15 ARG C C 14 176.858 176.858 178.146 -1.288 17879 11231 1 18 . 1 1 15 15 ARG CA C 14 61.520 61.520 58.835 2.685 17879 11232 1 18 . 1 1 15 15 ARG CB C 14 32.840 32.840 30.502 2.338 17879 11233 1 18 . 1 1 15 15 ARG H H 14 7.686 7.686 8.088 -0.402 17879 11234 1 18 . 1 1 16 16 LYS N N 15 119.224 119.224 121.920 -2.696 17879 11235 1 18 . 1 1 16 16 LYS HA H 15 4.449 4.449 4.248 0.201 17879 11236 1 18 . 1 1 16 16 LYS C C 15 177.796 177.796 178.802 -1.006 17879 11237 1 18 . 1 1 16 16 LYS CA C 15 57.366 57.366 59.067 -1.701 17879 11238 1 18 . 1 1 16 16 LYS CB C 15 32.529 32.529 31.972 0.557 17879 11239 1 18 . 1 1 16 16 LYS H H 15 8.667 8.667 7.952 0.715 17879 11240 1 18 . 1 1 17 17 ALA N N 16 117.777 117.777 120.493 -2.716 17879 11241 1 18 . 1 1 17 17 ALA HA H 16 4.164 4.164 4.040 0.124 17879 11242 1 18 . 1 1 17 17 ALA C C 16 180.641 180.641 179.143 1.498 17879 11243 1 18 . 1 1 17 17 ALA CA C 16 54.627 54.627 54.679 -0.052 17879 11244 1 18 . 1 1 17 17 ALA CB C 16 18.114 18.114 18.333 -0.219 17879 11245 1 18 . 1 1 17 17 ALA H H 16 7.305 7.305 8.501 -1.196 17879 11246 1 18 . 1 1 18 18 GLU N N 17 119.934 119.934 119.654 0.280 17879 11247 1 18 . 1 1 18 18 GLU HA H 17 4.695 4.695 4.105 0.590 17879 11248 1 18 . 1 1 18 18 GLU C C 17 178.339 178.339 178.567 -0.228 17879 11249 1 18 . 1 1 18 18 GLU CA C 17 58.173 58.173 58.484 -0.311 17879 11250 1 18 . 1 1 18 18 GLU CB C 17 28.765 28.765 29.298 -0.533 17879 11251 1 18 . 1 1 18 18 GLU H H 17 7.849 7.849 7.627 0.222 17879 11252 1 18 . 1 1 19 19 SER N N 18 117.685 117.685 115.326 2.359 17879 11253 1 18 . 1 1 19 19 SER HA H 18 3.542 3.542 3.762 -0.220 17879 11254 1 18 . 1 1 19 19 SER C C 18 178.206 178.206 176.982 1.224 17879 11255 1 18 . 1 1 19 19 SER CA C 18 62.108 62.108 60.920 1.188 17879 11256 1 18 . 1 1 19 19 SER CB C 18 59.839 59.839 62.405 -2.566 17879 11257 1 18 . 1 1 19 19 SER H H 18 8.785 8.785 8.429 0.356 17879 11258 1 18 . 1 1 20 20 GLU N N 19 124.346 124.346 121.447 2.899 17879 11259 1 18 . 1 1 20 20 GLU HA H 19 3.988 3.988 4.050 -0.062 17879 11260 1 18 . 1 1 20 20 GLU C C 19 178.788 178.788 178.554 0.234 17879 11261 1 18 . 1 1 20 20 GLU CA C 19 59.701 59.701 59.002 0.699 17879 11262 1 18 . 1 1 20 20 GLU CB C 19 29.318 29.318 29.404 -0.086 17879 11263 1 18 . 1 1 20 20 GLU H H 19 8.052 8.052 7.600 0.452 17879 11264 1 18 . 1 1 21 21 ARG N N 20 122.089 122.089 118.182 3.907 17879 11265 1 18 . 1 1 21 21 ARG HA H 20 4.093 4.093 4.176 -0.083 17879 11266 1 18 . 1 1 21 21 ARG C C 20 179.458 179.458 178.658 0.800 17879 11267 1 18 . 1 1 21 21 ARG CA C 20 59.500 59.500 58.447 1.053 17879 11268 1 18 . 1 1 21 21 ARG CB C 20 30.412 30.412 30.530 -0.118 17879 11269 1 18 . 1 1 21 21 ARG H H 20 7.958 7.958 8.091 -0.133 17879 11270 1 18 . 1 1 22 22 ILE N N 21 119.893 119.893 119.770 0.123 17879 11271 1 18 . 1 1 22 22 ILE HA H 21 3.623 3.623 3.780 -0.157 17879 11272 1 18 . 1 1 22 22 ILE C C 21 176.842 176.842 177.386 -0.544 17879 11273 1 18 . 1 1 22 22 ILE CA C 21 65.145 65.145 64.697 0.448 17879 11274 1 18 . 1 1 22 22 ILE CB C 21 38.195 38.195 37.635 0.560 17879 11275 1 18 . 1 1 22 22 ILE H H 21 8.277 8.277 8.210 0.067 17879 11276 1 18 . 1 1 23 23 ALA N N 22 121.816 121.816 121.383 0.433 17879 11277 1 18 . 1 1 23 23 ALA HA H 22 4.071 4.071 4.059 0.012 17879 11278 1 18 . 1 1 23 23 ALA C C 22 179.199 179.199 177.635 1.564 17879 11279 1 18 . 1 1 23 23 ALA CA C 22 54.519 54.519 54.314 0.205 17879 11280 1 18 . 1 1 23 23 ALA CB C 22 18.001 18.001 18.462 -0.461 17879 11281 1 18 . 1 1 23 23 ALA H H 22 7.962 7.962 7.509 0.453 17879 11282 1 18 . 1 1 24 24 ASP N N 23 114.866 114.866 117.840 -2.974 17879 11283 1 18 . 1 1 24 24 ASP HA H 23 4.401 4.401 4.572 -0.171 17879 11284 1 18 . 1 1 24 24 ASP C C 23 177.324 177.324 178.083 -0.759 17879 11285 1 18 . 1 1 24 24 ASP CA C 23 56.248 56.248 55.265 0.983 17879 11286 1 18 . 1 1 24 24 ASP CB C 23 42.193 42.193 41.482 0.711 17879 11287 1 18 . 1 1 24 24 ASP H H 23 7.368 7.368 7.839 -0.471 17879 11288 1 18 . 1 1 25 25 ARG N N 24 116.868 116.868 119.429 -2.561 17879 11289 1 18 . 1 1 25 25 ARG HA H 24 3.922 3.922 3.749 0.173 17879 11290 1 18 . 1 1 25 25 ARG C C 24 176.266 176.266 176.584 -0.318 17879 11291 1 18 . 1 1 25 25 ARG CA C 24 57.158 57.158 58.043 -0.885 17879 11292 1 18 . 1 1 25 25 ARG CB C 24 31.477 31.477 30.721 0.756 17879 11293 1 18 . 1 1 25 25 ARG H H 24 7.815 7.815 7.979 -0.164 17879 11294 1 18 . 1 1 26 26 PHE N N 25 116.737 116.737 115.245 1.492 17879 11295 1 18 . 1 1 26 26 PHE HA H 25 5.084 5.084 4.870 0.214 17879 11296 1 18 . 1 1 26 26 PHE CA C 25 54.304 54.304 55.115 -0.811 17879 11297 1 18 . 1 1 26 26 PHE CB C 25 39.026 39.026 39.392 -0.366 17879 11298 1 18 . 1 1 26 26 PHE H H 25 8.658 8.658 7.788 0.870 17879 11299 1 18 . 1 1 27 27 PRO HA H 26 4.503 4.503 4.365 0.138 17879 11300 1 18 . 1 1 27 27 PRO C C 26 177.538 177.538 177.201 0.337 17879 11301 1 18 . 1 1 27 27 PRO CA C 26 64.394 64.394 64.212 0.182 17879 11302 1 18 . 1 1 27 27 PRO CB C 26 31.961 31.961 32.036 -0.075 17879 11303 1 18 . 1 1 28 28 ASN N N 27 114.596 114.596 117.715 -3.119 17879 11304 1 18 . 1 1 28 28 ASN HA H 27 4.725 4.725 4.786 -0.061 17879 11305 1 18 . 1 1 28 28 ASN C C 27 174.678 174.678 174.187 0.491 17879 11306 1 18 . 1 1 28 28 ASN CA C 27 52.868 52.868 52.905 -0.037 17879 11307 1 18 . 1 1 28 28 ASN CB C 27 38.331 38.331 38.577 -0.246 17879 11308 1 18 . 1 1 28 28 ASN H H 27 8.537 8.537 8.584 -0.047 17879 11309 1 18 . 1 1 29 29 ARG N N 28 116.946 116.946 119.290 -2.344 17879 11310 1 18 . 1 1 29 29 ARG HA H 28 4.769 4.769 4.501 0.268 17879 11311 1 18 . 1 1 29 29 ARG C C 28 174.469 174.469 174.423 0.046 17879 11312 1 18 . 1 1 29 29 ARG CA C 28 52.948 52.948 54.442 -1.494 17879 11313 1 18 . 1 1 29 29 ARG CB C 28 32.941 32.941 33.330 -0.389 17879 11314 1 18 . 1 1 29 29 ARG H H 28 7.580 7.580 7.211 0.369 17879 11315 1 18 . 1 1 30 30 ILE N N 29 121.854 121.854 121.287 0.567 17879 11316 1 18 . 1 1 30 30 ILE HA H 29 4.098 4.098 4.073 0.025 17879 11317 1 18 . 1 1 30 30 ILE CA C 29 55.558 55.558 57.201 -1.643 17879 11318 1 18 . 1 1 30 30 ILE CB C 29 38.805 38.805 39.725 -0.920 17879 11319 1 18 . 1 1 30 30 ILE H H 29 9.262 9.262 8.736 0.526 17879 11320 1 18 . 1 1 31 31 PRO HA H 30 4.856 4.856 4.641 0.215 17879 11321 1 18 . 1 1 31 31 PRO C C 30 174.121 174.121 176.442 -2.321 17879 11322 1 18 . 1 1 31 31 PRO CA C 30 61.705 61.705 62.499 -0.794 17879 11323 1 18 . 1 1 31 31 PRO CB C 30 30.966 30.966 31.282 -0.316 17879 11324 1 18 . 1 1 32 32 VAL N N 31 127.197 127.197 120.086 7.111 17879 11325 1 18 . 1 1 32 32 VAL HA H 31 4.997 4.997 4.843 0.154 17879 11326 1 18 . 1 1 32 32 VAL C C 31 174.181 174.181 173.900 0.281 17879 11327 1 18 . 1 1 32 32 VAL CA C 31 60.620 60.620 58.987 1.633 17879 11328 1 18 . 1 1 32 32 VAL CB C 31 35.645 35.645 35.996 -0.351 17879 11329 1 18 . 1 1 32 32 VAL H H 31 9.096 9.096 9.104 -0.008 17879 11330 1 18 . 1 1 33 33 ILE N N 32 127.157 127.157 120.334 6.823 17879 11331 1 18 . 1 1 33 33 ILE HA H 32 4.917 4.917 4.462 0.455 17879 11332 1 18 . 1 1 33 33 ILE C C 32 174.991 174.991 175.259 -0.268 17879 11333 1 18 . 1 1 33 33 ILE CA C 32 56.589 56.589 59.836 -3.247 17879 11334 1 18 . 1 1 33 33 ILE CB C 32 35.908 35.908 38.498 -2.590 17879 11335 1 18 . 1 1 33 33 ILE H H 32 8.775 8.775 7.555 1.220 17879 11336 1 18 . 1 1 34 34 CYS N N 33 129.280 129.280 128.084 1.196 17879 11337 1 18 . 1 1 34 34 CYS HA H 33 5.559 5.559 4.585 0.974 17879 11338 1 18 . 1 1 34 34 CYS C C 33 173.218 173.218 173.608 -0.390 17879 11339 1 18 . 1 1 34 34 CYS CA C 33 57.121 57.121 59.107 -1.986 17879 11340 1 18 . 1 1 34 34 CYS CB C 33 28.880 28.880 28.311 0.569 17879 11341 1 18 . 1 1 34 34 CYS H H 33 9.738 9.738 9.254 0.484 17879 11342 1 18 . 1 1 35 35 GLU N N 34 124.130 124.130 127.230 -3.100 17879 11343 1 18 . 1 1 35 35 GLU HA H 34 4.977 4.977 4.799 0.178 17879 11344 1 18 . 1 1 35 35 GLU C C 34 174.190 174.190 173.990 0.200 17879 11345 1 18 . 1 1 35 35 GLU CA C 34 54.308 54.308 54.525 -0.217 17879 11346 1 18 . 1 1 35 35 GLU CB C 34 35.281 35.281 33.820 1.461 17879 11347 1 18 . 1 1 35 35 GLU H H 34 8.531 8.531 8.467 0.064 17879 11348 1 18 . 1 1 36 36 LYS N N 35 123.562 123.562 124.292 -0.730 17879 11349 1 18 . 1 1 36 36 LYS HA H 35 3.056 3.056 4.039 -0.983 17879 11350 1 18 . 1 1 36 36 LYS C C 35 177.452 177.452 176.228 1.224 17879 11351 1 18 . 1 1 36 36 LYS CA C 35 56.374 56.374 53.888 2.486 17879 11352 1 18 . 1 1 36 36 LYS CB C 35 32.750 32.750 33.012 -0.262 17879 11353 1 18 . 1 1 36 36 LYS H H 35 8.949 8.949 8.673 0.276 17879 11354 1 18 . 1 1 37 37 ALA N N 36 129.494 129.494 129.876 -0.382 17879 11355 1 18 . 1 1 37 37 ALA HA H 36 4.163 4.163 4.110 0.053 17879 11356 1 18 . 1 1 37 37 ALA C C 36 178.375 178.375 176.853 1.522 17879 11357 1 18 . 1 1 37 37 ALA CA C 36 52.702 52.702 52.985 -0.283 17879 11358 1 18 . 1 1 37 37 ALA CB C 36 18.673 18.673 19.440 -0.767 17879 11359 1 18 . 1 1 37 37 ALA H H 36 8.561 8.561 7.790 0.771 17879 11360 1 18 . 1 1 38 38 GLU N N 37 125.115 125.115 118.429 6.686 17879 11361 1 18 . 1 1 38 38 GLU HA H 37 3.959 3.959 4.146 -0.187 17879 11362 1 18 . 1 1 38 38 GLU C C 37 177.516 177.516 177.762 -0.246 17879 11363 1 18 . 1 1 38 38 GLU CA C 37 59.302 59.302 57.413 1.889 17879 11364 1 18 . 1 1 38 38 GLU CB C 37 30.154 30.154 29.767 0.387 17879 11365 1 18 . 1 1 38 38 GLU H H 37 8.648 8.648 8.430 0.218 17879 11366 1 18 . 1 1 39 39 LYS N N 38 115.020 115.020 120.095 -5.075 17879 11367 1 18 . 1 1 39 39 LYS HA H 38 4.188 4.188 4.064 0.124 17879 11368 1 18 . 1 1 39 39 LYS C C 38 176.244 176.244 177.442 -1.198 17879 11369 1 18 . 1 1 39 39 LYS CA C 38 56.564 56.564 57.498 -0.935 17879 11370 1 18 . 1 1 39 39 LYS CB C 38 31.484 31.484 31.748 -0.264 17879 11371 1 18 . 1 1 39 39 LYS H H 38 8.494 8.494 8.187 0.307 17879 11372 1 18 . 1 1 40 40 SER N N 39 113.091 113.091 113.230 -0.139 17879 11373 1 18 . 1 1 40 40 SER HA H 39 4.535 4.535 4.390 0.145 17879 11374 1 18 . 1 1 40 40 SER C C 39 174.896 174.896 174.729 0.167 17879 11375 1 18 . 1 1 40 40 SER CA C 39 57.985 57.985 59.072 -1.087 17879 11376 1 18 . 1 1 40 40 SER CB C 39 65.000 65.000 63.610 1.390 17879 11377 1 18 . 1 1 40 40 SER H H 39 7.346 7.346 7.720 -0.374 17879 11378 1 18 . 1 1 41 41 ASP N N 40 127.375 127.375 121.214 6.161 17879 11379 1 18 . 1 1 41 41 ASP HA H 40 4.782 4.782 4.724 0.057 17879 11380 1 18 . 1 1 41 41 ASP C C 40 175.205 175.205 176.280 -1.075 17879 11381 1 18 . 1 1 41 41 ASP CA C 40 53.549 53.549 53.622 -0.073 17879 11382 1 18 . 1 1 41 41 ASP CB C 40 39.916 39.916 41.551 -1.635 17879 11383 1 18 . 1 1 41 41 ASP H H 40 8.744 8.744 8.570 0.174 17879 11384 1 18 . 1 1 42 42 ILE N N 41 122.943 122.943 118.468 4.475 17879 11385 1 18 . 1 1 42 42 ILE HA H 41 4.661 4.661 4.460 0.201 17879 11386 1 18 . 1 1 42 42 ILE CA C 41 59.133 59.133 58.870 0.263 17879 11387 1 18 . 1 1 42 42 ILE CB C 41 40.534 40.534 38.451 2.083 17879 11388 1 18 . 1 1 42 42 ILE H H 41 7.649 7.649 7.208 0.441 17879 11389 1 18 . 1 1 43 43 PRO HA H 42 4.414 4.414 4.544 -0.130 17879 11390 1 18 . 1 1 43 43 PRO C C 42 175.952 175.952 176.411 -0.459 17879 11391 1 18 . 1 1 43 43 PRO CA C 42 63.829 63.829 62.421 1.408 17879 11392 1 18 . 1 1 43 43 PRO CB C 42 32.895 32.895 32.057 0.838 17879 11393 1 18 . 1 1 44 44 GLU N N 43 120.369 120.369 123.942 -3.573 17879 11394 1 18 . 1 1 44 44 GLU HA H 43 4.298 4.298 4.132 0.166 17879 11395 1 18 . 1 1 44 44 GLU C C 43 175.316 175.316 176.535 -1.219 17879 11396 1 18 . 1 1 44 44 GLU CA C 43 56.400 56.400 56.594 -0.194 17879 11397 1 18 . 1 1 44 44 GLU CB C 43 31.282 31.282 30.486 0.796 17879 11398 1 18 . 1 1 44 44 GLU H H 43 8.393 8.393 8.491 -0.098 17879 11399 1 18 . 1 1 45 45 ILE N N 44 123.670 123.670 125.662 -1.992 17879 11400 1 18 . 1 1 45 45 ILE HA H 44 4.419 4.419 4.074 0.345 17879 11401 1 18 . 1 1 45 45 ILE C C 44 174.786 174.786 176.211 -1.425 17879 11402 1 18 . 1 1 45 45 ILE CA C 44 61.027 61.027 62.239 -1.212 17879 11403 1 18 . 1 1 45 45 ILE CB C 44 40.509 40.509 39.153 1.356 17879 11404 1 18 . 1 1 45 45 ILE H H 44 8.067 8.067 8.193 -0.126 17879 11405 1 18 . 1 1 46 46 ASP N N 45 123.340 123.340 120.928 2.412 17879 11406 1 18 . 1 1 46 46 ASP HA H 45 4.412 4.412 4.543 -0.131 17879 11407 1 18 . 1 1 46 46 ASP C C 45 175.494 175.494 175.620 -0.126 17879 11408 1 18 . 1 1 46 46 ASP CA C 45 55.467 55.467 57.047 -1.579 17879 11409 1 18 . 1 1 46 46 ASP CB C 45 40.320 40.320 41.616 -1.296 17879 11410 1 18 . 1 1 46 46 ASP H H 45 8.468 8.468 8.798 -0.330 17879 11411 1 18 . 1 1 47 47 LYS N N 46 121.295 121.295 115.505 5.790 17879 11412 1 18 . 1 1 47 47 LYS HA H 46 4.428 4.428 4.762 -0.334 17879 11413 1 18 . 1 1 47 47 LYS CA C 46 56.020 56.020 54.514 1.506 17879 11414 1 18 . 1 1 47 47 LYS CB C 46 34.644 34.644 35.465 -0.821 17879 11415 1 18 . 1 1 47 47 LYS H H 46 7.319 7.319 7.614 -0.295 17879 11416 1 18 . 1 1 48 48 ARG N N 47 124.949 124.949 119.671 5.278 17879 11417 1 18 . 1 1 48 48 ARG HA H 47 5.271 5.271 5.038 0.233 17879 11418 1 18 . 1 1 48 48 ARG C C 47 173.546 173.546 174.660 -1.114 17879 11419 1 18 . 1 1 48 48 ARG CA C 47 55.581 55.581 55.294 0.287 17879 11420 1 18 . 1 1 48 48 ARG CB C 47 32.992 32.992 30.522 2.470 17879 11421 1 18 . 1 1 48 48 ARG H H 47 8.558 8.558 8.225 0.333 17879 11422 1 18 . 1 1 49 49 LYS N N 48 122.812 122.812 124.207 -1.395 17879 11423 1 18 . 1 1 49 49 LYS HA H 48 5.030 5.030 4.128 0.902 17879 11424 1 18 . 1 1 49 49 LYS C C 48 174.301 174.301 173.945 0.356 17879 11425 1 18 . 1 1 49 49 LYS CA C 48 55.042 55.042 56.087 -1.045 17879 11426 1 18 . 1 1 49 49 LYS CB C 48 34.065 34.065 33.619 0.446 17879 11427 1 18 . 1 1 49 49 LYS H H 48 7.440 7.440 8.346 -0.906 17879 11428 1 18 . 1 1 50 50 TYR N N 49 124.842 124.842 124.803 0.039 17879 11429 1 18 . 1 1 50 50 TYR HA H 49 4.721 4.721 4.666 0.055 17879 11430 1 18 . 1 1 50 50 TYR C C 49 173.674 173.674 173.970 -0.296 17879 11431 1 18 . 1 1 50 50 TYR CA C 49 57.192 57.192 57.150 0.042 17879 11432 1 18 . 1 1 50 50 TYR CB C 49 43.123 43.123 42.434 0.689 17879 11433 1 18 . 1 1 50 50 TYR H H 49 9.590 9.590 8.824 0.766 17879 11434 1 18 . 1 1 51 51 LEU N N 50 124.138 124.138 126.563 -2.425 17879 11435 1 18 . 1 1 51 51 LEU HA H 50 4.753 4.753 4.772 -0.019 17879 11436 1 18 . 1 1 51 51 LEU C C 50 176.050 176.050 176.051 -0.001 17879 11437 1 18 . 1 1 51 51 LEU CA C 50 53.158 53.158 53.344 -0.186 17879 11438 1 18 . 1 1 51 51 LEU CB C 50 41.155 41.155 41.859 -0.704 17879 11439 1 18 . 1 1 51 51 LEU H H 50 8.901 8.901 8.595 0.306 17879 11440 1 18 . 1 1 52 52 VAL N N 51 123.181 123.181 120.412 2.769 17879 11441 1 18 . 1 1 52 52 VAL HA H 51 3.948 3.948 4.532 -0.584 17879 11442 1 18 . 1 1 52 52 VAL CA C 51 59.724 59.724 59.196 0.528 17879 11443 1 18 . 1 1 52 52 VAL CB C 51 33.605 33.605 31.884 1.721 17879 11444 1 18 . 1 1 52 52 VAL H H 51 8.513 8.513 7.951 0.562 17879 11445 1 18 . 1 1 53 53 PRO HA H 52 4.305 4.305 4.377 -0.072 17879 11446 1 18 . 1 1 53 53 PRO C C 52 176.607 176.607 175.955 0.652 17879 11447 1 18 . 1 1 53 53 PRO CA C 52 63.950 63.950 61.834 2.116 17879 11448 1 18 . 1 1 53 53 PRO CB C 52 32.163 32.163 32.722 -0.559 17879 11449 1 18 . 1 1 54 54 ALA N N 53 123.771 123.771 119.505 4.266 17879 11450 1 18 . 1 1 54 54 ALA HA H 53 3.720 3.720 4.182 -0.462 17879 11451 1 18 . 1 1 54 54 ALA C C 53 176.409 176.409 176.994 -0.585 17879 11452 1 18 . 1 1 54 54 ALA CA C 53 54.742 54.742 52.627 2.115 17879 11453 1 18 . 1 1 54 54 ALA CB C 53 18.948 18.948 19.499 -0.551 17879 11454 1 18 . 1 1 54 54 ALA H H 53 7.926 7.926 8.272 -0.346 17879 11455 1 18 . 1 1 55 55 ASP N N 54 111.152 111.152 117.778 -6.626 17879 11456 1 18 . 1 1 55 55 ASP HA H 54 4.621 4.621 4.614 0.007 17879 11457 1 18 . 1 1 55 55 ASP C C 54 175.823 175.823 176.633 -0.810 17879 11458 1 18 . 1 1 55 55 ASP CA C 54 52.744 52.744 53.900 -1.156 17879 11459 1 18 . 1 1 55 55 ASP CB C 54 39.861 39.861 41.997 -2.136 17879 11460 1 18 . 1 1 55 55 ASP H H 54 8.106 8.106 8.031 0.075 17879 11461 1 18 . 1 1 56 56 LEU N N 55 121.263 121.263 120.685 0.578 17879 11462 1 18 . 1 1 56 56 LEU HA H 55 4.351 4.351 4.252 0.099 17879 11463 1 18 . 1 1 56 56 LEU C C 55 177.459 177.459 176.629 0.830 17879 11464 1 18 . 1 1 56 56 LEU CA C 55 55.472 55.472 56.418 -0.946 17879 11465 1 18 . 1 1 56 56 LEU CB C 55 43.593 43.593 42.486 1.107 17879 11466 1 18 . 1 1 56 56 LEU H H 55 7.295 7.295 7.800 -0.505 17879 11467 1 18 . 1 1 57 57 THR N N 56 114.222 114.222 109.543 4.679 17879 11468 1 18 . 1 1 57 57 THR HA H 56 5.233 5.233 4.553 0.680 17879 11469 1 18 . 1 1 57 57 THR C C 56 176.538 176.538 175.382 1.156 17879 11470 1 18 . 1 1 57 57 THR CA C 56 60.318 60.318 60.206 0.112 17879 11471 1 18 . 1 1 57 57 THR CB C 56 71.303 71.303 71.840 -0.537 17879 11472 1 18 . 1 1 57 57 THR H H 56 8.476 8.476 8.076 0.400 17879 11473 1 18 . 1 1 58 58 VAL N N 57 122.331 122.331 121.423 0.908 17879 11474 1 18 . 1 1 58 58 VAL HA H 57 3.738 3.738 3.969 -0.231 17879 11475 1 18 . 1 1 58 58 VAL C C 57 178.743 178.743 178.040 0.703 17879 11476 1 18 . 1 1 58 58 VAL CA C 57 66.797 66.797 66.585 0.212 17879 11477 1 18 . 1 1 58 58 VAL CB C 57 31.801 31.801 32.018 -0.217 17879 11478 1 18 . 1 1 58 58 VAL H H 57 8.806 8.806 8.289 0.517 17879 11479 1 18 . 1 1 59 59 GLY N N 58 105.470 105.470 104.763 0.707 17879 11480 1 18 . 1 1 59 59 GLY C C 58 176.924 176.924 175.787 1.137 17879 11481 1 18 . 1 1 59 59 GLY CA C 58 47.317 47.317 46.947 0.371 17879 11482 1 18 . 1 1 59 59 GLY H H 58 9.381 9.381 8.049 1.332 17879 11483 1 18 . 1 1 60 60 GLN N N 59 121.492 121.492 118.983 2.509 17879 11484 1 18 . 1 1 60 60 GLN HA H 59 4.166 4.166 4.487 -0.321 17879 11485 1 18 . 1 1 60 60 GLN C C 59 178.605 178.605 177.757 0.848 17879 11486 1 18 . 1 1 60 60 GLN CA C 59 58.764 58.764 57.181 1.583 17879 11487 1 18 . 1 1 60 60 GLN CB C 59 29.129 29.129 29.478 -0.349 17879 11488 1 18 . 1 1 60 60 GLN H H 59 8.027 8.027 7.609 0.418 17879 11489 1 18 . 1 1 61 61 PHE N N 60 122.595 122.595 121.606 0.989 17879 11490 1 18 . 1 1 61 61 PHE HA H 60 4.291 4.291 4.296 -0.005 17879 11491 1 18 . 1 1 61 61 PHE C C 60 176.690 176.690 176.928 -0.238 17879 11492 1 18 . 1 1 61 61 PHE CA C 60 61.502 61.502 59.894 1.608 17879 11493 1 18 . 1 1 61 61 PHE CB C 60 39.155 39.155 39.365 -0.210 17879 11494 1 18 . 1 1 61 61 PHE H H 60 8.522 8.522 8.310 0.212 17879 11495 1 18 . 1 1 62 62 VAL N N 61 118.720 118.720 118.906 -0.186 17879 11496 1 18 . 1 1 62 62 VAL HA H 61 3.070 3.070 3.191 -0.121 17879 11497 1 18 . 1 1 62 62 VAL C C 61 176.872 176.872 177.017 -0.145 17879 11498 1 18 . 1 1 62 62 VAL CA C 61 67.040 67.040 66.619 0.421 17879 11499 1 18 . 1 1 62 62 VAL CB C 61 31.119 31.119 31.384 -0.265 17879 11500 1 18 . 1 1 62 62 VAL H H 61 8.705 8.705 8.576 0.129 17879 11501 1 18 . 1 1 63 63 TYR N N 62 118.462 118.462 117.988 0.474 17879 11502 1 18 . 1 1 63 63 TYR HA H 62 3.987 3.987 4.105 -0.118 17879 11503 1 18 . 1 1 63 63 TYR C C 62 177.325 177.325 175.734 1.591 17879 11504 1 18 . 1 1 63 63 TYR CA C 62 61.685 61.685 60.361 1.324 17879 11505 1 18 . 1 1 63 63 TYR CB C 62 37.906 37.906 37.727 0.179 17879 11506 1 18 . 1 1 63 63 TYR H H 62 7.373 7.373 8.131 -0.758 17879 11507 1 18 . 1 1 64 64 VAL N N 63 119.137 119.137 117.481 1.656 17879 11508 1 18 . 1 1 64 64 VAL HA H 63 3.342 3.342 3.265 0.077 17879 11509 1 18 . 1 1 64 64 VAL C C 63 178.326 178.326 177.425 0.901 17879 11510 1 18 . 1 1 64 64 VAL CA C 63 66.615 66.615 64.447 2.168 17879 11511 1 18 . 1 1 64 64 VAL CB C 63 31.157 31.157 31.874 -0.717 17879 11512 1 18 . 1 1 64 64 VAL H H 63 7.376 7.376 7.396 -0.020 17879 11513 1 18 . 1 1 65 65 ILE N N 64 118.858 118.858 118.970 -0.112 17879 11514 1 18 . 1 1 65 65 ILE HA H 64 3.279 3.279 3.570 -0.291 17879 11515 1 18 . 1 1 65 65 ILE C C 64 177.653 177.653 178.079 -0.426 17879 11516 1 18 . 1 1 65 65 ILE CA C 64 63.682 63.682 61.887 1.795 17879 11517 1 18 . 1 1 65 65 ILE CB C 64 36.150 36.150 35.648 0.502 17879 11518 1 18 . 1 1 65 65 ILE H H 64 7.366 7.366 6.722 0.644 17879 11519 1 18 . 1 1 66 66 ARG N N 65 118.729 118.729 118.355 0.374 17879 11520 1 18 . 1 1 66 66 ARG HA H 65 3.397 3.397 4.053 -0.656 17879 11521 1 18 . 1 1 66 66 ARG C C 65 178.284 178.284 177.599 0.685 17879 11522 1 18 . 1 1 66 66 ARG CA C 65 60.078 60.078 57.239 2.839 17879 11523 1 18 . 1 1 66 66 ARG CB C 65 30.022 30.022 29.888 0.134 17879 11524 1 18 . 1 1 66 66 ARG H H 65 8.463 8.463 8.426 0.037 17879 11525 1 18 . 1 1 67 67 LYS N N 66 116.643 116.643 119.300 -2.657 17879 11526 1 18 . 1 1 67 67 LYS HA H 66 3.951 3.951 4.149 -0.198 17879 11527 1 18 . 1 1 67 67 LYS C C 66 178.989 178.989 178.297 0.692 17879 11528 1 18 . 1 1 67 67 LYS CA C 66 58.347 58.347 58.542 -0.195 17879 11529 1 18 . 1 1 67 67 LYS CB C 66 31.938 31.938 32.564 -0.626 17879 11530 1 18 . 1 1 67 67 LYS H H 66 7.536 7.536 7.824 -0.288 17879 11531 1 18 . 1 1 68 68 ARG N N 67 119.051 119.051 119.592 -0.541 17879 11532 1 18 . 1 1 68 68 ARG HA H 67 4.104 4.104 4.060 0.044 17879 11533 1 18 . 1 1 68 68 ARG C C 67 178.122 178.122 178.529 -0.407 17879 11534 1 18 . 1 1 68 68 ARG CA C 67 58.182 58.182 58.744 -0.562 17879 11535 1 18 . 1 1 68 68 ARG CB C 67 30.273 30.273 30.200 0.073 17879 11536 1 18 . 1 1 68 68 ARG H H 67 7.783 7.783 7.604 0.179 17879 11537 1 18 . 1 1 69 69 ILE N N 68 112.456 112.456 113.180 -0.724 17879 11538 1 18 . 1 1 69 69 ILE HA H 68 4.223 4.223 3.952 0.271 17879 11539 1 18 . 1 1 69 69 ILE C C 68 174.568 174.568 175.536 -0.968 17879 11540 1 18 . 1 1 69 69 ILE CA C 68 61.502 61.502 61.772 -0.270 17879 11541 1 18 . 1 1 69 69 ILE CB C 68 38.643 38.643 37.923 0.720 17879 11542 1 18 . 1 1 69 69 ILE H H 68 7.675 7.675 7.227 0.448 17879 11543 1 18 . 1 1 70 70 MET N N 69 118.509 118.509 112.321 6.188 17879 11544 1 18 . 1 1 70 70 MET HA H 69 3.982 3.982 4.172 -0.190 17879 11545 1 18 . 1 1 70 70 MET C C 69 175.482 175.482 175.056 0.426 17879 11546 1 18 . 1 1 70 70 MET CA C 69 55.811 55.811 55.602 0.209 17879 11547 1 18 . 1 1 70 70 MET CB C 69 29.392 29.392 30.289 -0.897 17879 11548 1 18 . 1 1 70 70 MET H H 69 7.805 7.805 7.529 0.276 17879 11549 1 18 . 1 1 71 71 LEU N N 70 121.952 121.952 120.966 0.986 17879 11550 1 18 . 1 1 71 71 LEU HA H 70 4.603 4.603 4.274 0.329 17879 11551 1 18 . 1 1 71 71 LEU CA C 70 52.560 52.560 54.785 -2.225 17879 11552 1 18 . 1 1 71 71 LEU CB C 70 44.045 44.045 41.581 2.463 17879 11553 1 18 . 1 1 71 71 LEU H H 70 7.493 7.493 8.029 -0.536 17879 11554 1 18 . 1 1 72 72 PRO HA H 71 4.678 4.678 4.814 -0.136 17879 11555 1 18 . 1 1 72 72 PRO CA C 71 62.124 62.124 61.093 1.031 17879 11556 1 18 . 1 1 72 72 PRO CB C 71 31.307 31.307 31.032 0.275 17879 11557 1 18 . 1 1 73 73 PRO HA H 72 4.123 4.123 4.390 -0.267 17879 11558 1 18 . 1 1 73 73 PRO C C 72 177.052 177.052 176.631 0.421 17879 11559 1 18 . 1 1 73 73 PRO CA C 72 64.924 64.924 64.226 0.698 17879 11560 1 18 . 1 1 73 73 PRO CB C 72 32.049 32.049 32.071 -0.022 17879 11561 1 18 . 1 1 74 74 GLU N N 73 115.091 115.091 115.922 -0.831 17879 11562 1 18 . 1 1 74 74 GLU HA H 73 4.181 4.181 4.359 -0.178 17879 11563 1 18 . 1 1 74 74 GLU C C 73 176.459 176.459 176.523 -0.064 17879 11564 1 18 . 1 1 74 74 GLU CA C 73 57.774 57.774 56.285 1.489 17879 11565 1 18 . 1 1 74 74 GLU CB C 73 28.321 28.321 29.012 -0.691 17879 11566 1 18 . 1 1 74 74 GLU H H 73 9.065 9.065 8.576 0.489 17879 11567 1 18 . 1 1 75 75 LYS N N 74 121.755 121.755 119.252 2.503 17879 11568 1 18 . 1 1 75 75 LYS HA H 74 4.520 4.520 4.611 -0.091 17879 11569 1 18 . 1 1 75 75 LYS C C 74 174.789 174.789 174.325 0.464 17879 11570 1 18 . 1 1 75 75 LYS CA C 74 54.789 54.789 54.815 -0.026 17879 11571 1 18 . 1 1 75 75 LYS CB C 74 32.882 32.882 36.213 -3.331 17879 11572 1 18 . 1 1 75 75 LYS H H 74 7.797 7.797 7.546 0.251 17879 11573 1 18 . 1 1 76 76 ALA N N 75 127.848 127.848 120.761 7.087 17879 11574 1 18 . 1 1 76 76 ALA HA H 75 4.072 4.072 4.602 -0.530 17879 11575 1 18 . 1 1 76 76 ALA C C 75 175.710 175.710 175.105 0.605 17879 11576 1 18 . 1 1 76 76 ALA CA C 75 52.226 52.226 51.216 1.010 17879 11577 1 18 . 1 1 76 76 ALA CB C 75 20.956 20.956 21.545 -0.589 17879 11578 1 18 . 1 1 76 76 ALA H H 75 8.410 8.410 8.341 0.069 17879 11579 1 18 . 1 1 77 77 ILE N N 76 114.298 114.298 119.332 -5.034 17879 11580 1 18 . 1 1 77 77 ILE HA H 76 4.593 4.593 4.783 -0.190 17879 11581 1 18 . 1 1 77 77 ILE C C 76 172.379 172.379 173.613 -1.234 17879 11582 1 18 . 1 1 77 77 ILE CA C 76 59.699 59.699 61.076 -1.377 17879 11583 1 18 . 1 1 77 77 ILE CB C 76 41.218 41.218 41.511 -0.293 17879 11584 1 18 . 1 1 77 77 ILE H H 76 7.193 7.193 7.831 -0.638 17879 11585 1 18 . 1 1 78 78 PHE N N 77 124.094 124.094 124.961 -0.867 17879 11586 1 18 . 1 1 78 78 PHE HA H 77 4.556 4.556 4.911 -0.355 17879 11587 1 18 . 1 1 78 78 PHE C C 77 174.359 174.359 174.582 -0.223 17879 11588 1 18 . 1 1 78 78 PHE CA C 77 56.596 56.596 56.681 -0.085 17879 11589 1 18 . 1 1 78 78 PHE CB C 77 42.370 42.370 42.945 -0.575 17879 11590 1 18 . 1 1 78 78 PHE H H 77 8.931 8.931 9.280 -0.349 17879 11591 1 18 . 1 1 79 79 ILE N N 78 117.724 117.724 121.044 -3.320 17879 11592 1 18 . 1 1 79 79 ILE HA H 78 5.233 5.233 5.224 0.009 17879 11593 1 18 . 1 1 79 79 ILE C C 78 173.334 173.334 175.452 -2.118 17879 11594 1 18 . 1 1 79 79 ILE CA C 78 58.130 58.130 60.615 -2.485 17879 11595 1 18 . 1 1 79 79 ILE CB C 78 39.360 39.360 39.180 0.180 17879 11596 1 18 . 1 1 79 79 ILE H H 78 8.025 8.025 8.741 -0.716 17879 11597 1 18 . 1 1 80 80 PHE N N 79 121.084 121.084 122.580 -1.496 17879 11598 1 18 . 1 1 80 80 PHE HA H 79 5.365 5.365 5.101 0.264 17879 11599 1 18 . 1 1 80 80 PHE C C 79 176.270 176.270 174.286 1.984 17879 11600 1 18 . 1 1 80 80 PHE CA C 79 55.948 55.948 57.185 -1.237 17879 11601 1 18 . 1 1 80 80 PHE CB C 79 42.763 42.763 43.363 -0.600 17879 11602 1 18 . 1 1 80 80 PHE H H 79 9.210 9.210 9.063 0.147 17879 11603 1 18 . 1 1 81 81 VAL N N 80 117.974 117.974 122.947 -4.973 17879 11604 1 18 . 1 1 81 81 VAL HA H 80 4.520 4.520 4.542 -0.022 17879 11605 1 18 . 1 1 81 81 VAL C C 80 175.699 175.699 175.413 0.286 17879 11606 1 18 . 1 1 81 81 VAL CA C 80 60.484 60.484 61.568 -1.084 17879 11607 1 18 . 1 1 81 81 VAL CB C 80 34.263 34.263 32.993 1.270 17879 11608 1 18 . 1 1 81 81 VAL H H 80 8.832 8.832 9.109 -0.277 17879 11609 1 18 . 1 1 82 82 ASN N N 81 127.615 127.615 125.041 2.574 17879 11610 1 18 . 1 1 82 82 ASN HA H 81 4.339 4.339 4.394 -0.055 17879 11611 1 18 . 1 1 82 82 ASN C C 81 174.036 174.036 174.709 -0.673 17879 11612 1 18 . 1 1 82 82 ASN CA C 81 55.231 55.231 54.477 0.754 17879 11613 1 18 . 1 1 82 82 ASN CB C 81 37.408 37.408 37.250 0.158 17879 11614 1 18 . 1 1 82 82 ASN H H 81 9.689 9.689 9.247 0.442 17879 11615 1 18 . 1 1 83 83 ASP N N 82 112.699 112.699 111.679 1.020 17879 11616 1 18 . 1 1 83 83 ASP HA H 82 4.135 4.135 4.380 -0.245 17879 11617 1 18 . 1 1 83 83 ASP C C 82 174.560 174.560 174.916 -0.356 17879 11618 1 18 . 1 1 83 83 ASP CA C 82 55.638 55.638 55.300 0.338 17879 11619 1 18 . 1 1 83 83 ASP CB C 82 39.564 39.564 39.516 0.048 17879 11620 1 18 . 1 1 83 83 ASP H H 82 8.772 8.772 8.544 0.228 17879 11621 1 18 . 1 1 84 84 THR N N 83 112.567 112.567 114.464 -1.897 17879 11622 1 18 . 1 1 84 84 THR HA H 83 4.715 4.715 4.500 0.215 17879 11623 1 18 . 1 1 84 84 THR C C 83 172.200 172.200 172.812 -0.612 17879 11624 1 18 . 1 1 84 84 THR CA C 83 60.868 60.868 61.317 -0.449 17879 11625 1 18 . 1 1 84 84 THR CB C 83 72.206 72.206 71.315 0.891 17879 11626 1 18 . 1 1 84 84 THR H H 83 8.080 8.080 7.297 0.783 17879 11627 1 18 . 1 1 85 85 LEU N N 84 125.810 125.810 128.928 -3.118 17879 11628 1 18 . 1 1 85 85 LEU HA H 84 5.127 5.127 4.691 0.436 17879 11629 1 18 . 1 1 85 85 LEU CA C 84 51.927 51.927 51.675 0.252 17879 11630 1 18 . 1 1 85 85 LEU CB C 84 42.779 42.779 43.140 -0.361 17879 11631 1 18 . 1 1 85 85 LEU H H 84 8.520 8.520 8.525 -0.005 17879 11632 1 18 . 1 1 86 86 PRO HA H 85 4.835 4.835 4.755 0.080 17879 11633 1 18 . 1 1 86 86 PRO CA C 85 60.910 60.910 61.272 -0.362 17879 11634 1 18 . 1 1 86 86 PRO CB C 85 30.852 30.852 31.131 -0.279 17879 11635 1 18 . 1 1 87 87 PRO HA H 86 4.577 4.577 4.522 0.055 17879 11636 1 18 . 1 1 87 87 PRO C C 86 177.830 177.830 176.727 1.103 17879 11637 1 18 . 1 1 87 87 PRO CA C 86 62.424 62.424 62.551 -0.127 17879 11638 1 18 . 1 1 87 87 PRO CB C 86 31.910 31.910 32.227 -0.317 17879 11639 1 18 . 1 1 88 88 THR N N 87 114.642 114.642 107.294 7.348 17879 11640 1 18 . 1 1 88 88 THR HA H 87 3.802 3.802 4.368 -0.566 17879 11641 1 18 . 1 1 88 88 THR C C 87 175.702 175.702 175.798 -0.096 17879 11642 1 18 . 1 1 88 88 THR CA C 87 65.079 65.079 64.105 0.975 17879 11643 1 18 . 1 1 88 88 THR CB C 87 68.818 68.818 69.026 -0.208 17879 11644 1 18 . 1 1 88 88 THR H H 87 8.291 8.291 8.031 0.260 17879 11645 1 18 . 1 1 89 89 ALA N N 88 119.706 119.706 122.992 -3.286 17879 11646 1 18 . 1 1 89 89 ALA HA H 88 4.420 4.420 4.317 0.103 17879 11647 1 18 . 1 1 89 89 ALA C C 88 177.690 177.690 178.140 -0.450 17879 11648 1 18 . 1 1 89 89 ALA CA C 88 52.118 52.118 52.185 -0.068 17879 11649 1 18 . 1 1 89 89 ALA CB C 88 19.334 19.334 17.529 1.805 17879 11650 1 18 . 1 1 89 89 ALA H H 88 8.031 8.031 8.088 -0.057 17879 11651 1 18 . 1 1 90 90 ALA N N 89 120.388 120.388 122.298 -1.910 17879 11652 1 18 . 1 1 90 90 ALA HA H 89 4.179 4.179 4.256 -0.077 17879 11653 1 18 . 1 1 90 90 ALA C C 89 176.520 176.520 176.506 0.014 17879 11654 1 18 . 1 1 90 90 ALA CA C 89 52.454 52.454 51.057 1.397 17879 11655 1 18 . 1 1 90 90 ALA CB C 89 19.301 19.301 17.036 2.265 17879 11656 1 18 . 1 1 90 90 ALA H H 89 7.465 7.465 8.127 -0.662 17879 11657 1 18 . 1 1 91 91 LEU N N 90 119.307 119.307 122.324 -3.017 17879 11658 1 18 . 1 1 91 91 LEU HA H 90 4.490 4.490 4.105 0.385 17879 11659 1 18 . 1 1 91 91 LEU C C 90 179.555 179.555 178.372 1.183 17879 11660 1 18 . 1 1 91 91 LEU CA C 90 54.578 54.578 56.090 -1.512 17879 11661 1 18 . 1 1 91 91 LEU CB C 90 42.689 42.689 41.493 1.196 17879 11662 1 18 . 1 1 91 91 LEU H H 90 8.458 8.458 8.333 0.125 17879 11663 1 18 . 1 1 92 92 MET N N 91 121.586 121.586 124.150 -2.564 17879 11664 1 18 . 1 1 92 92 MET HA H 91 4.231 4.231 3.925 0.306 17879 11665 1 18 . 1 1 92 92 MET C C 91 178.860 178.860 178.417 0.443 17879 11666 1 18 . 1 1 92 92 MET CA C 91 56.938 56.938 57.875 -0.937 17879 11667 1 18 . 1 1 92 92 MET CB C 91 29.372 29.372 30.776 -1.405 17879 11668 1 18 . 1 1 92 92 MET H H 91 9.203 9.203 8.088 1.115 17879 11669 1 18 . 1 1 93 93 SER N N 92 112.826 112.826 115.291 -2.465 17879 11670 1 18 . 1 1 93 93 SER HA H 92 3.978 3.978 4.112 -0.134 17879 11671 1 18 . 1 1 93 93 SER C C 92 176.318 176.318 176.446 -0.128 17879 11672 1 18 . 1 1 93 93 SER CA C 92 60.871 60.871 61.105 -0.234 17879 11673 1 18 . 1 1 93 93 SER CB C 92 61.575 61.575 62.494 -0.919 17879 11674 1 18 . 1 1 93 93 SER H H 92 8.717 8.717 8.403 0.314 17879 11675 1 18 . 1 1 94 94 ALA N N 93 126.735 126.735 123.426 3.309 17879 11676 1 18 . 1 1 94 94 ALA HA H 93 4.357 4.357 4.170 0.187 17879 11677 1 18 . 1 1 94 94 ALA C C 93 180.789 180.789 178.708 2.081 17879 11678 1 18 . 1 1 94 94 ALA CA C 93 54.841 54.841 54.391 0.450 17879 11679 1 18 . 1 1 94 94 ALA CB C 93 18.603 18.603 18.507 0.096 17879 11680 1 18 . 1 1 94 94 ALA H H 93 7.058 7.058 8.043 -0.985 17879 11681 1 18 . 1 1 95 95 ILE N N 94 118.720 118.720 117.264 1.456 17879 11682 1 18 . 1 1 95 95 ILE HA H 94 4.063 4.063 3.937 0.126 17879 11683 1 18 . 1 1 95 95 ILE C C 94 178.326 178.326 177.205 1.121 17879 11684 1 18 . 1 1 95 95 ILE CA C 94 62.755 62.755 62.752 0.003 17879 11685 1 18 . 1 1 95 95 ILE CB C 94 36.410 36.410 38.265 -1.855 17879 11686 1 18 . 1 1 95 95 ILE H H 94 7.872 7.872 7.685 0.187 17879 11687 1 18 . 1 1 96 96 TYR N N 95 120.697 120.697 119.699 0.998 17879 11688 1 18 . 1 1 96 96 TYR HA H 95 4.007 4.007 4.256 -0.249 17879 11689 1 18 . 1 1 96 96 TYR C C 95 176.022 176.022 176.048 -0.026 17879 11690 1 18 . 1 1 96 96 TYR CA C 95 62.187 62.187 59.908 2.279 17879 11691 1 18 . 1 1 96 96 TYR CB C 95 39.093 39.093 38.760 0.333 17879 11692 1 18 . 1 1 96 96 TYR H H 95 8.841 8.841 8.487 0.354 17879 11693 1 18 . 1 1 97 97 GLN N N 96 114.982 114.982 117.686 -2.704 17879 11694 1 18 . 1 1 97 97 GLN HA H 96 3.778 3.778 4.376 -0.598 17879 11695 1 18 . 1 1 97 97 GLN C C 96 177.250 177.250 176.020 1.230 17879 11696 1 18 . 1 1 97 97 GLN CA C 96 58.719 58.719 56.691 2.028 17879 11697 1 18 . 1 1 97 97 GLN CB C 96 28.286 28.286 29.393 -1.107 17879 11698 1 18 . 1 1 97 97 GLN H H 96 7.757 7.757 7.790 -0.033 17879 11699 1 18 . 1 1 98 98 GLU N N 97 114.340 114.340 117.361 -3.021 17879 11700 1 18 . 1 1 98 98 GLU HA H 97 4.099 4.099 4.320 -0.221 17879 11701 1 18 . 1 1 98 98 GLU C C 97 178.140 178.140 176.869 1.271 17879 11702 1 18 . 1 1 98 98 GLU CA C 97 57.886 57.886 56.652 1.234 17879 11703 1 18 . 1 1 98 98 GLU CB C 97 31.589 31.589 31.232 0.357 17879 11704 1 18 . 1 1 98 98 GLU H H 97 7.117 7.117 7.565 -0.448 17879 11705 1 18 . 1 1 99 99 HIS N N 98 113.377 113.377 117.031 -3.654 17879 11706 1 18 . 1 1 99 99 HIS HA H 98 4.829 4.829 4.850 -0.021 17879 11707 1 18 . 1 1 99 99 HIS C C 98 175.856 175.856 173.878 1.978 17879 11708 1 18 . 1 1 99 99 HIS CA C 98 56.738 56.738 54.335 2.403 17879 11709 1 18 . 1 1 99 99 HIS CB C 98 32.930 32.930 31.350 1.580 17879 11710 1 18 . 1 1 99 99 HIS H H 98 8.247 8.247 7.864 0.383 17879 11711 1 18 . 1 1 100 100 LYS N N 99 120.905 120.905 119.407 1.498 17879 11712 1 18 . 1 1 100 100 LYS HA H 99 3.994 3.994 3.862 0.132 17879 11713 1 18 . 1 1 100 100 LYS C C 99 174.832 174.832 176.029 -1.197 17879 11714 1 18 . 1 1 100 100 LYS CA C 99 57.693 57.693 56.422 1.271 17879 11715 1 18 . 1 1 100 100 LYS CB C 99 31.703 31.703 32.488 -0.785 17879 11716 1 18 . 1 1 100 100 LYS H H 99 8.065 8.065 7.575 0.490 17879 11717 1 18 . 1 1 101 101 ASP N N 100 124.188 124.188 120.746 3.442 17879 11718 1 18 . 1 1 101 101 ASP HA H 100 4.765 4.765 4.893 -0.128 17879 11719 1 18 . 1 1 101 101 ASP C C 100 177.692 177.692 176.640 1.052 17879 11720 1 18 . 1 1 101 101 ASP CA C 100 54.030 54.030 51.631 2.399 17879 11721 1 18 . 1 1 101 101 ASP CB C 100 43.429 43.429 43.194 0.235 17879 11722 1 18 . 1 1 101 101 ASP H H 100 9.027 9.027 7.830 1.197 17879 11723 1 18 . 1 1 102 102 LYS N N 101 125.898 125.898 118.766 7.132 17879 11724 1 18 . 1 1 102 102 LYS HA H 101 4.239 4.239 4.248 -0.009 17879 11725 1 18 . 1 1 102 102 LYS C C 101 178.053 178.053 176.750 1.303 17879 11726 1 18 . 1 1 102 102 LYS CA C 101 59.482 59.482 59.200 0.282 17879 11727 1 18 . 1 1 102 102 LYS CB C 101 32.821 32.821 32.887 -0.066 17879 11728 1 18 . 1 1 102 102 LYS H H 101 8.678 8.678 8.841 -0.163 17879 11729 1 18 . 1 1 103 103 ASP N N 102 119.326 119.326 113.543 5.783 17879 11730 1 18 . 1 1 103 103 ASP HA H 102 4.127 4.127 4.441 -0.314 17879 11731 1 18 . 1 1 103 103 ASP C C 102 176.833 176.833 176.803 0.030 17879 11732 1 18 . 1 1 103 103 ASP CA C 102 54.666 54.666 53.855 0.811 17879 11733 1 18 . 1 1 103 103 ASP CB C 102 39.848 39.848 40.708 -0.860 17879 11734 1 18 . 1 1 103 103 ASP H H 102 10.276 10.276 8.466 1.810 17879 11735 1 18 . 1 1 104 104 GLY N N 103 106.059 106.059 108.349 -2.290 17879 11736 1 18 . 1 1 104 104 GLY C C 103 174.655 174.655 174.798 -0.143 17879 11737 1 18 . 1 1 104 104 GLY CA C 103 45.319 45.319 45.635 -0.316 17879 11738 1 18 . 1 1 104 104 GLY H H 103 8.173 8.173 7.730 0.443 17879 11739 1 18 . 1 1 105 105 PHE N N 104 121.781 121.781 121.566 0.215 17879 11740 1 18 . 1 1 105 105 PHE HA H 104 4.682 4.682 4.530 0.152 17879 11741 1 18 . 1 1 105 105 PHE C C 104 174.830 174.830 176.331 -1.501 17879 11742 1 18 . 1 1 105 105 PHE CA C 104 59.377 59.377 59.303 0.074 17879 11743 1 18 . 1 1 105 105 PHE CB C 104 39.938 39.938 39.207 0.731 17879 11744 1 18 . 1 1 105 105 PHE H H 104 9.600 9.600 7.573 2.027 17879 11745 1 18 . 1 1 106 106 LEU N N 105 119.929 119.929 123.420 -3.491 17879 11746 1 18 . 1 1 106 106 LEU HA H 105 4.897 4.897 4.303 0.594 17879 11747 1 18 . 1 1 106 106 LEU C C 105 173.947 173.947 176.322 -2.375 17879 11748 1 18 . 1 1 106 106 LEU CA C 105 53.463 53.463 54.132 -0.669 17879 11749 1 18 . 1 1 106 106 LEU CB C 105 45.066 45.066 43.210 1.856 17879 11750 1 18 . 1 1 106 106 LEU H H 105 8.376 8.376 8.663 -0.287 17879 11751 1 18 . 1 1 107 107 TYR N N 106 127.637 127.637 122.098 5.539 17879 11752 1 18 . 1 1 107 107 TYR HA H 106 4.992 4.992 4.719 0.273 17879 11753 1 18 . 1 1 107 107 TYR C C 106 176.099 176.099 174.787 1.312 17879 11754 1 18 . 1 1 107 107 TYR CA C 106 58.893 58.893 57.268 1.625 17879 11755 1 18 . 1 1 107 107 TYR CB C 106 38.140 38.140 38.160 -0.020 17879 11756 1 18 . 1 1 107 107 TYR H H 106 9.124 9.124 8.491 0.633 17879 11757 1 18 . 1 1 108 108 VAL N N 107 121.630 121.630 122.438 -0.808 17879 11758 1 18 . 1 1 108 108 VAL HA H 107 5.135 5.135 4.734 0.401 17879 11759 1 18 . 1 1 108 108 VAL C C 107 175.722 175.722 175.089 0.633 17879 11760 1 18 . 1 1 108 108 VAL CA C 107 59.587 59.587 59.817 -0.230 17879 11761 1 18 . 1 1 108 108 VAL CB C 107 34.787 34.787 34.643 0.144 17879 11762 1 18 . 1 1 108 108 VAL H H 107 9.560 9.560 8.455 1.105 17879 11763 1 18 . 1 1 109 109 THR N N 108 119.845 119.845 117.891 1.954 17879 11764 1 18 . 1 1 109 109 THR HA H 108 6.155 6.155 5.522 0.633 17879 11765 1 18 . 1 1 109 109 THR C C 108 174.158 174.158 173.056 1.102 17879 11766 1 18 . 1 1 109 109 THR CA C 108 59.869 59.869 61.518 -1.649 17879 11767 1 18 . 1 1 109 109 THR CB C 108 72.268 72.268 72.150 0.118 17879 11768 1 18 . 1 1 109 109 THR H H 108 9.061 9.061 8.147 0.914 17879 11769 1 18 . 1 1 110 110 TYR N N 109 119.706 119.706 120.668 -0.962 17879 11770 1 18 . 1 1 110 110 TYR HA H 109 6.332 6.332 5.913 0.419 17879 11771 1 18 . 1 1 110 110 TYR C C 109 173.366 173.366 173.290 0.076 17879 11772 1 18 . 1 1 110 110 TYR CA C 109 54.655 54.655 55.252 -0.598 17879 11773 1 18 . 1 1 110 110 TYR CB C 109 42.250 42.250 41.538 0.712 17879 11774 1 18 . 1 1 110 110 TYR H H 109 8.461 8.461 9.155 -0.694 17879 11775 1 18 . 1 1 111 111 SER N N 110 112.907 112.907 117.389 -4.482 17879 11776 1 18 . 1 1 111 111 SER HA H 110 4.745 4.745 4.919 -0.174 17879 11777 1 18 . 1 1 111 111 SER C C 110 173.692 173.692 174.826 -1.134 17879 11778 1 18 . 1 1 111 111 SER CA C 110 56.044 56.044 55.642 0.402 17879 11779 1 18 . 1 1 111 111 SER CB C 110 66.177 66.177 65.996 0.182 17879 11780 1 18 . 1 1 111 111 SER H H 110 9.089 9.089 9.156 -0.067 17879 11781 1 18 . 1 1 112 112 GLY N N 111 111.054 111.054 110.013 1.041 17879 11782 1 18 . 1 1 112 112 GLY C C 111 173.331 173.331 173.614 -0.283 17879 11783 1 18 . 1 1 112 112 GLY CA C 111 45.341 45.341 45.173 0.168 17879 11784 1 18 . 1 1 112 112 GLY H H 111 8.443 8.443 9.061 -0.618 17879 11785 1 18 . 1 1 113 113 GLU N N 112 118.801 118.801 119.303 -0.502 17879 11786 1 18 . 1 1 113 113 GLU HA H 112 4.660 4.660 4.516 0.144 17879 11787 1 18 . 1 1 113 113 GLU C C 112 174.538 174.538 175.306 -0.768 17879 11788 1 18 . 1 1 113 113 GLU CA C 112 55.642 55.642 54.833 0.809 17879 11789 1 18 . 1 1 113 113 GLU CB C 112 32.930 32.930 31.207 1.723 17879 11790 1 18 . 1 1 113 113 GLU H H 112 8.413 8.413 7.567 0.846 17879 11791 1 18 . 1 1 114 114 ASN N N 113 118.152 118.152 121.247 -3.095 17879 11792 1 18 . 1 1 114 114 ASN HA H 113 4.187 4.187 4.209 -0.022 17879 11793 1 18 . 1 1 114 114 ASN C C 113 175.011 175.011 174.836 0.175 17879 11794 1 18 . 1 1 114 114 ASN CA C 113 51.910 51.910 53.969 -2.059 17879 11795 1 18 . 1 1 114 114 ASN CB C 113 36.865 36.865 38.304 -1.439 17879 11796 1 18 . 1 1 114 114 ASN H H 113 8.207 8.207 8.564 -0.357 17879 11797 1 18 . 1 1 115 115 THR N N 114 112.887 112.887 112.282 0.605 17879 11798 1 18 . 1 1 115 115 THR HA H 114 4.190 4.190 3.765 0.425 17879 11799 1 18 . 1 1 115 115 THR C C 114 173.575 173.575 173.326 0.249 17879 11800 1 18 . 1 1 115 115 THR CA C 114 61.149 61.149 61.745 -0.596 17879 11801 1 18 . 1 1 115 115 THR CB C 114 69.859 69.859 69.833 0.026 17879 11802 1 18 . 1 1 115 115 THR H H 114 7.411 7.411 7.564 -0.153 17879 11803 1 18 . 1 1 116 116 PHE N N 115 121.474 121.474 116.652 4.822 17879 11804 1 18 . 1 1 116 116 PHE HA H 115 4.451 4.451 4.483 -0.032 17879 11805 1 18 . 1 1 116 116 PHE C C 115 175.078 175.078 173.885 1.193 17879 11806 1 18 . 1 1 116 116 PHE CA C 115 57.681 57.681 55.994 1.687 17879 11807 1 18 . 1 1 116 116 PHE CB C 115 39.569 39.569 38.394 1.175 17879 11808 1 18 . 1 1 116 116 PHE H H 115 8.021 8.021 7.357 0.664 17879 11809 1 19 . 1 1 2 2 MET N N 1 122.410 122.410 118.959 3.451 17879 11810 1 19 . 1 1 2 2 MET HA H 1 4.455 4.455 4.503 -0.048 17879 11811 1 19 . 1 1 2 2 MET C C 1 175.655 175.655 176.004 -0.349 17879 11812 1 19 . 1 1 2 2 MET CA C 1 55.438 55.438 56.071 -0.633 17879 11813 1 19 . 1 1 2 2 MET CB C 1 33.126 33.126 33.889 -0.763 17879 11814 1 19 . 1 1 2 2 MET H H 1 8.425 8.425 7.377 1.048 17879 11815 1 19 . 1 1 3 3 LYS N N 2 123.656 123.656 118.057 5.599 17879 11816 1 19 . 1 1 3 3 LYS HA H 2 4.326 4.326 4.424 -0.098 17879 11817 1 19 . 1 1 3 3 LYS C C 2 176.266 176.266 176.199 0.067 17879 11818 1 19 . 1 1 3 3 LYS CA C 2 56.348 56.348 56.053 0.295 17879 11819 1 19 . 1 1 3 3 LYS CB C 2 33.219 33.219 33.980 -0.760 17879 11820 1 19 . 1 1 3 3 LYS H H 2 8.512 8.512 8.352 0.160 17879 11821 1 19 . 1 1 4 4 SER N N 3 118.350 118.350 114.584 3.766 17879 11822 1 19 . 1 1 4 4 SER HA H 3 4.631 4.631 4.469 0.162 17879 11823 1 19 . 1 1 4 4 SER C C 3 175.421 175.421 174.602 0.819 17879 11824 1 19 . 1 1 4 4 SER CA C 3 57.629 57.629 58.299 -0.670 17879 11825 1 19 . 1 1 4 4 SER CB C 3 64.079 64.079 64.157 -0.078 17879 11826 1 19 . 1 1 4 4 SER H H 3 8.426 8.426 7.780 0.646 17879 11827 1 19 . 1 1 5 5 THR N N 4 127.775 127.775 109.109 18.666 17879 11828 1 19 . 1 1 5 5 THR HA H 4 4.482 4.482 4.416 0.066 17879 11829 1 19 . 1 1 5 5 THR C C 4 174.680 174.680 174.665 0.015 17879 11830 1 19 . 1 1 5 5 THR CA C 4 62.001 62.001 62.219 -0.218 17879 11831 1 19 . 1 1 5 5 THR CB C 4 70.137 70.137 69.326 0.811 17879 11832 1 19 . 1 1 5 5 THR H H 4 9.971 9.971 8.200 1.771 17879 11833 1 19 . 1 1 6 6 PHE N N 5 123.021 123.021 122.539 0.482 17879 11834 1 19 . 1 1 6 6 PHE HA H 5 4.125 4.125 4.140 -0.015 17879 11835 1 19 . 1 1 6 6 PHE C C 5 177.064 177.064 176.157 0.907 17879 11836 1 19 . 1 1 6 6 PHE CA C 5 63.041 63.041 61.276 1.765 17879 11837 1 19 . 1 1 6 6 PHE CB C 5 40.828 40.828 39.081 1.747 17879 11838 1 19 . 1 1 6 6 PHE H H 5 8.863 8.863 8.725 0.138 17879 11839 1 19 . 1 1 7 7 LYS N N 6 114.006 114.006 114.300 -0.294 17879 11840 1 19 . 1 1 7 7 LYS HA H 6 3.916 3.916 3.977 -0.061 17879 11841 1 19 . 1 1 7 7 LYS C C 6 177.535 177.535 176.293 1.242 17879 11842 1 19 . 1 1 7 7 LYS CA C 6 60.026 60.026 57.589 2.438 17879 11843 1 19 . 1 1 7 7 LYS CB C 6 33.611 33.611 32.749 0.862 17879 11844 1 19 . 1 1 7 7 LYS H H 6 8.661 8.661 8.370 0.291 17879 11845 1 19 . 1 1 8 8 SER N N 7 111.149 111.149 113.462 -2.313 17879 11846 1 19 . 1 1 8 8 SER HA H 7 4.275 4.275 4.242 0.033 17879 11847 1 19 . 1 1 8 8 SER C C 7 175.689 175.689 175.594 0.095 17879 11848 1 19 . 1 1 8 8 SER CA C 7 60.007 60.007 60.096 -0.089 17879 11849 1 19 . 1 1 8 8 SER CB C 7 63.759 63.759 63.436 0.323 17879 11850 1 19 . 1 1 8 8 SER H H 7 7.552 7.552 7.521 0.031 17879 11851 1 19 . 1 1 9 9 GLU N N 8 122.296 122.296 120.862 1.434 17879 11852 1 19 . 1 1 9 9 GLU HA H 8 3.818 3.818 4.095 -0.277 17879 11853 1 19 . 1 1 9 9 GLU C C 8 176.068 176.068 175.889 0.179 17879 11854 1 19 . 1 1 9 9 GLU CA C 8 58.137 58.137 57.547 0.590 17879 11855 1 19 . 1 1 9 9 GLU CB C 8 30.965 30.965 30.285 0.680 17879 11856 1 19 . 1 1 9 9 GLU H H 8 7.924 7.924 7.566 0.358 17879 11857 1 19 . 1 1 10 10 TYR N N 9 115.131 115.131 116.128 -0.997 17879 11858 1 19 . 1 1 10 10 TYR HA H 9 5.066 5.066 4.942 0.124 17879 11859 1 19 . 1 1 10 10 TYR CA C 9 53.958 53.958 54.124 -0.166 17879 11860 1 19 . 1 1 10 10 TYR CB C 9 41.055 41.055 37.898 3.157 17879 11861 1 19 . 1 1 10 10 TYR H H 9 7.052 7.052 6.625 0.427 17879 11862 1 19 . 1 1 11 11 PRO HA H 10 4.708 4.708 4.627 0.081 17879 11863 1 19 . 1 1 11 11 PRO C C 10 177.384 177.384 177.098 0.286 17879 11864 1 19 . 1 1 11 11 PRO CA C 10 62.279 62.279 61.937 0.342 17879 11865 1 19 . 1 1 11 11 PRO CB C 10 33.087 33.087 32.724 0.363 17879 11866 1 19 . 1 1 12 12 PHE N N 11 125.307 125.307 121.273 4.034 17879 11867 1 19 . 1 1 12 12 PHE HA H 11 3.883 3.883 4.282 -0.399 17879 11868 1 19 . 1 1 12 12 PHE C C 11 176.157 176.157 177.011 -0.854 17879 11869 1 19 . 1 1 12 12 PHE CA C 11 63.156 63.156 62.036 1.120 17879 11870 1 19 . 1 1 12 12 PHE CB C 11 39.935 39.935 39.258 0.677 17879 11871 1 19 . 1 1 12 12 PHE H H 11 9.385 9.385 8.711 0.674 17879 11872 1 19 . 1 1 13 13 GLU N N 12 115.356 115.356 118.228 -2.872 17879 11873 1 19 . 1 1 13 13 GLU HA H 12 3.857 3.857 3.916 -0.059 17879 11874 1 19 . 1 1 13 13 GLU C C 12 179.598 179.598 179.000 0.598 17879 11875 1 19 . 1 1 13 13 GLU CA C 12 60.317 60.317 59.683 0.634 17879 11876 1 19 . 1 1 13 13 GLU CB C 12 28.642 28.642 28.916 -0.274 17879 11877 1 19 . 1 1 13 13 GLU H H 12 9.800 9.800 9.223 0.577 17879 11878 1 19 . 1 1 14 14 LYS N N 13 118.194 118.194 118.819 -0.625 17879 11879 1 19 . 1 1 14 14 LYS HA H 13 4.246 4.246 4.093 0.153 17879 11880 1 19 . 1 1 14 14 LYS C C 13 178.804 178.804 178.783 0.021 17879 11881 1 19 . 1 1 14 14 LYS CA C 13 58.143 58.143 58.694 -0.551 17879 11882 1 19 . 1 1 14 14 LYS CB C 13 32.770 32.770 32.580 0.190 17879 11883 1 19 . 1 1 14 14 LYS H H 13 7.160 7.160 7.669 -0.509 17879 11884 1 19 . 1 1 15 15 ARG N N 14 120.949 120.949 120.327 0.622 17879 11885 1 19 . 1 1 15 15 ARG HA H 14 3.892 3.892 4.078 -0.186 17879 11886 1 19 . 1 1 15 15 ARG C C 14 176.858 176.858 178.295 -1.437 17879 11887 1 19 . 1 1 15 15 ARG CA C 14 61.520 61.520 59.496 2.024 17879 11888 1 19 . 1 1 15 15 ARG CB C 14 32.840 32.840 30.133 2.707 17879 11889 1 19 . 1 1 15 15 ARG H H 14 7.686 7.686 8.257 -0.571 17879 11890 1 19 . 1 1 16 16 LYS N N 15 119.224 119.224 120.272 -1.048 17879 11891 1 19 . 1 1 16 16 LYS HA H 15 4.449 4.449 4.277 0.172 17879 11892 1 19 . 1 1 16 16 LYS C C 15 177.796 177.796 178.715 -0.919 17879 11893 1 19 . 1 1 16 16 LYS CA C 15 57.366 57.366 59.360 -1.994 17879 11894 1 19 . 1 1 16 16 LYS CB C 15 32.529 32.529 31.698 0.831 17879 11895 1 19 . 1 1 16 16 LYS H H 15 8.667 8.667 7.927 0.740 17879 11896 1 19 . 1 1 17 17 ALA N N 16 117.777 117.777 121.290 -3.513 17879 11897 1 19 . 1 1 17 17 ALA HA H 16 4.164 4.164 4.081 0.083 17879 11898 1 19 . 1 1 17 17 ALA C C 16 180.641 180.641 179.567 1.074 17879 11899 1 19 . 1 1 17 17 ALA CA C 16 54.627 54.627 54.878 -0.251 17879 11900 1 19 . 1 1 17 17 ALA CB C 16 18.114 18.114 17.926 0.188 17879 11901 1 19 . 1 1 17 17 ALA H H 16 7.305 7.305 7.671 -0.366 17879 11902 1 19 . 1 1 18 18 GLU N N 17 119.934 119.934 118.942 0.992 17879 11903 1 19 . 1 1 18 18 GLU HA H 17 4.695 4.695 4.131 0.564 17879 11904 1 19 . 1 1 18 18 GLU C C 17 178.339 178.339 178.957 -0.618 17879 11905 1 19 . 1 1 18 18 GLU CA C 17 58.173 58.173 59.321 -1.148 17879 11906 1 19 . 1 1 18 18 GLU CB C 17 28.765 28.765 29.798 -1.033 17879 11907 1 19 . 1 1 18 18 GLU H H 17 7.849 7.849 7.632 0.217 17879 11908 1 19 . 1 1 19 19 SER N N 18 117.685 117.685 114.344 3.341 17879 11909 1 19 . 1 1 19 19 SER HA H 18 3.542 3.542 4.040 -0.498 17879 11910 1 19 . 1 1 19 19 SER C C 18 178.206 178.206 176.905 1.301 17879 11911 1 19 . 1 1 19 19 SER CA C 18 62.108 62.108 61.004 1.104 17879 11912 1 19 . 1 1 19 19 SER CB C 18 59.839 59.839 62.618 -2.780 17879 11913 1 19 . 1 1 19 19 SER H H 18 8.785 8.785 8.858 -0.073 17879 11914 1 19 . 1 1 20 20 GLU N N 19 124.346 124.346 120.738 3.608 17879 11915 1 19 . 1 1 20 20 GLU HA H 19 3.988 3.988 4.261 -0.273 17879 11916 1 19 . 1 1 20 20 GLU C C 19 178.788 178.788 177.614 1.174 17879 11917 1 19 . 1 1 20 20 GLU CA C 19 59.701 59.701 58.318 1.383 17879 11918 1 19 . 1 1 20 20 GLU CB C 19 29.318 29.318 30.017 -0.699 17879 11919 1 19 . 1 1 20 20 GLU H H 19 8.052 8.052 7.883 0.169 17879 11920 1 19 . 1 1 21 21 ARG N N 20 122.089 122.089 117.698 4.391 17879 11921 1 19 . 1 1 21 21 ARG HA H 20 4.093 4.093 4.428 -0.335 17879 11922 1 19 . 1 1 21 21 ARG C C 20 179.458 179.458 178.547 0.911 17879 11923 1 19 . 1 1 21 21 ARG CA C 20 59.500 59.500 57.516 1.984 17879 11924 1 19 . 1 1 21 21 ARG CB C 20 30.412 30.412 30.863 -0.451 17879 11925 1 19 . 1 1 21 21 ARG H H 20 7.958 7.958 8.043 -0.085 17879 11926 1 19 . 1 1 22 22 ILE N N 21 119.893 119.893 122.309 -2.416 17879 11927 1 19 . 1 1 22 22 ILE HA H 21 3.623 3.623 3.806 -0.183 17879 11928 1 19 . 1 1 22 22 ILE C C 21 176.842 176.842 176.821 0.021 17879 11929 1 19 . 1 1 22 22 ILE CA C 21 65.145 65.145 64.582 0.563 17879 11930 1 19 . 1 1 22 22 ILE CB C 21 38.195 38.195 37.680 0.515 17879 11931 1 19 . 1 1 22 22 ILE H H 21 8.277 8.277 8.582 -0.305 17879 11932 1 19 . 1 1 23 23 ALA N N 22 121.816 121.816 120.798 1.018 17879 11933 1 19 . 1 1 23 23 ALA HA H 22 4.071 4.071 4.086 -0.015 17879 11934 1 19 . 1 1 23 23 ALA C C 22 179.199 179.199 177.725 1.474 17879 11935 1 19 . 1 1 23 23 ALA CA C 22 54.519 54.519 54.151 0.368 17879 11936 1 19 . 1 1 23 23 ALA CB C 22 18.001 18.001 18.386 -0.385 17879 11937 1 19 . 1 1 23 23 ALA H H 22 7.962 7.962 8.164 -0.202 17879 11938 1 19 . 1 1 24 24 ASP N N 23 114.866 114.866 116.644 -1.778 17879 11939 1 19 . 1 1 24 24 ASP HA H 23 4.401 4.401 4.545 -0.144 17879 11940 1 19 . 1 1 24 24 ASP C C 23 177.324 177.324 177.742 -0.418 17879 11941 1 19 . 1 1 24 24 ASP CA C 23 56.248 56.248 54.705 1.543 17879 11942 1 19 . 1 1 24 24 ASP CB C 23 42.193 42.193 41.818 0.375 17879 11943 1 19 . 1 1 24 24 ASP H H 23 7.368 7.368 7.881 -0.513 17879 11944 1 19 . 1 1 25 25 ARG N N 24 116.868 116.868 118.697 -1.829 17879 11945 1 19 . 1 1 25 25 ARG HA H 24 3.922 3.922 3.958 -0.036 17879 11946 1 19 . 1 1 25 25 ARG C C 24 176.266 176.266 175.959 0.307 17879 11947 1 19 . 1 1 25 25 ARG CA C 24 57.158 57.158 57.011 0.147 17879 11948 1 19 . 1 1 25 25 ARG CB C 24 31.477 31.477 31.291 0.186 17879 11949 1 19 . 1 1 25 25 ARG H H 24 7.815 7.815 7.507 0.308 17879 11950 1 19 . 1 1 26 26 PHE N N 25 116.737 116.737 116.415 0.322 17879 11951 1 19 . 1 1 26 26 PHE HA H 25 5.084 5.084 4.930 0.154 17879 11952 1 19 . 1 1 26 26 PHE CA C 25 54.304 54.304 54.779 -0.475 17879 11953 1 19 . 1 1 26 26 PHE CB C 25 39.026 39.026 39.449 -0.423 17879 11954 1 19 . 1 1 26 26 PHE H H 25 8.658 8.658 7.989 0.669 17879 11955 1 19 . 1 1 27 27 PRO HA H 26 4.503 4.503 4.384 0.119 17879 11956 1 19 . 1 1 27 27 PRO C C 26 177.538 177.538 177.202 0.336 17879 11957 1 19 . 1 1 27 27 PRO CA C 26 64.394 64.394 64.031 0.363 17879 11958 1 19 . 1 1 27 27 PRO CB C 26 31.961 31.961 32.146 -0.185 17879 11959 1 19 . 1 1 28 28 ASN N N 27 114.596 114.596 117.645 -3.049 17879 11960 1 19 . 1 1 28 28 ASN HA H 27 4.725 4.725 4.781 -0.056 17879 11961 1 19 . 1 1 28 28 ASN C C 27 174.678 174.678 174.358 0.320 17879 11962 1 19 . 1 1 28 28 ASN CA C 27 52.868 52.868 52.613 0.255 17879 11963 1 19 . 1 1 28 28 ASN CB C 27 38.331 38.331 37.720 0.611 17879 11964 1 19 . 1 1 28 28 ASN H H 27 8.537 8.537 8.581 -0.044 17879 11965 1 19 . 1 1 29 29 ARG N N 28 116.946 116.946 119.368 -2.422 17879 11966 1 19 . 1 1 29 29 ARG HA H 28 4.769 4.769 4.518 0.251 17879 11967 1 19 . 1 1 29 29 ARG C C 28 174.469 174.469 174.323 0.146 17879 11968 1 19 . 1 1 29 29 ARG CA C 28 52.948 52.948 54.382 -1.434 17879 11969 1 19 . 1 1 29 29 ARG CB C 28 32.941 32.941 33.731 -0.790 17879 11970 1 19 . 1 1 29 29 ARG H H 28 7.580 7.580 7.252 0.328 17879 11971 1 19 . 1 1 30 30 ILE N N 29 121.854 121.854 120.596 1.258 17879 11972 1 19 . 1 1 30 30 ILE HA H 29 4.098 4.098 4.013 0.085 17879 11973 1 19 . 1 1 30 30 ILE CA C 29 55.558 55.558 57.270 -1.712 17879 11974 1 19 . 1 1 30 30 ILE CB C 29 38.805 38.805 39.989 -1.184 17879 11975 1 19 . 1 1 30 30 ILE H H 29 9.262 9.262 8.643 0.619 17879 11976 1 19 . 1 1 31 31 PRO HA H 30 4.856 4.856 4.590 0.266 17879 11977 1 19 . 1 1 31 31 PRO C C 30 174.121 174.121 176.339 -2.218 17879 11978 1 19 . 1 1 31 31 PRO CA C 30 61.705 61.705 62.353 -0.648 17879 11979 1 19 . 1 1 31 31 PRO CB C 30 30.966 30.966 31.326 -0.360 17879 11980 1 19 . 1 1 32 32 VAL N N 31 127.197 127.197 119.007 8.190 17879 11981 1 19 . 1 1 32 32 VAL HA H 31 4.997 4.997 5.027 -0.030 17879 11982 1 19 . 1 1 32 32 VAL C C 31 174.181 174.181 173.904 0.277 17879 11983 1 19 . 1 1 32 32 VAL CA C 31 60.620 60.620 59.010 1.610 17879 11984 1 19 . 1 1 32 32 VAL CB C 31 35.645 35.645 36.403 -0.758 17879 11985 1 19 . 1 1 32 32 VAL H H 31 9.096 9.096 9.175 -0.079 17879 11986 1 19 . 1 1 33 33 ILE N N 32 127.157 127.157 119.544 7.613 17879 11987 1 19 . 1 1 33 33 ILE HA H 32 4.917 4.917 4.563 0.354 17879 11988 1 19 . 1 1 33 33 ILE C C 32 174.991 174.991 175.075 -0.084 17879 11989 1 19 . 1 1 33 33 ILE CA C 32 56.589 56.589 59.535 -2.946 17879 11990 1 19 . 1 1 33 33 ILE CB C 32 35.908 35.908 39.791 -3.883 17879 11991 1 19 . 1 1 33 33 ILE H H 32 8.775 8.775 8.178 0.597 17879 11992 1 19 . 1 1 34 34 CYS N N 33 129.280 129.280 127.652 1.628 17879 11993 1 19 . 1 1 34 34 CYS HA H 33 5.559 5.559 4.540 1.019 17879 11994 1 19 . 1 1 34 34 CYS C C 33 173.218 173.218 173.671 -0.453 17879 11995 1 19 . 1 1 34 34 CYS CA C 33 57.121 57.121 58.901 -1.780 17879 11996 1 19 . 1 1 34 34 CYS CB C 33 28.880 28.880 28.541 0.339 17879 11997 1 19 . 1 1 34 34 CYS H H 33 9.738 9.738 9.107 0.631 17879 11998 1 19 . 1 1 35 35 GLU N N 34 124.130 124.130 126.962 -2.832 17879 11999 1 19 . 1 1 35 35 GLU HA H 34 4.977 4.977 4.803 0.174 17879 12000 1 19 . 1 1 35 35 GLU C C 34 174.190 174.190 174.588 -0.398 17879 12001 1 19 . 1 1 35 35 GLU CA C 34 54.308 54.308 54.593 -0.285 17879 12002 1 19 . 1 1 35 35 GLU CB C 34 35.281 35.281 34.142 1.139 17879 12003 1 19 . 1 1 35 35 GLU H H 34 8.531 8.531 8.421 0.110 17879 12004 1 19 . 1 1 36 36 LYS N N 35 123.562 123.562 125.750 -2.188 17879 12005 1 19 . 1 1 36 36 LYS HA H 35 3.056 3.056 3.952 -0.896 17879 12006 1 19 . 1 1 36 36 LYS C C 35 177.452 177.452 176.093 1.359 17879 12007 1 19 . 1 1 36 36 LYS CA C 35 56.374 56.374 55.027 1.347 17879 12008 1 19 . 1 1 36 36 LYS CB C 35 32.750 32.750 32.467 0.283 17879 12009 1 19 . 1 1 36 36 LYS H H 35 8.949 8.949 8.555 0.394 17879 12010 1 19 . 1 1 37 37 ALA N N 36 129.494 129.494 129.578 -0.084 17879 12011 1 19 . 1 1 37 37 ALA HA H 36 4.163 4.163 4.091 0.072 17879 12012 1 19 . 1 1 37 37 ALA C C 36 178.375 178.375 177.363 1.012 17879 12013 1 19 . 1 1 37 37 ALA CA C 36 52.702 52.702 52.667 0.035 17879 12014 1 19 . 1 1 37 37 ALA CB C 36 18.673 18.673 19.745 -1.072 17879 12015 1 19 . 1 1 37 37 ALA H H 36 8.561 8.561 7.690 0.871 17879 12016 1 19 . 1 1 38 38 GLU N N 37 125.115 125.115 118.941 6.174 17879 12017 1 19 . 1 1 38 38 GLU HA H 37 3.959 3.959 4.051 -0.092 17879 12018 1 19 . 1 1 38 38 GLU C C 37 177.516 177.516 177.994 -0.478 17879 12019 1 19 . 1 1 38 38 GLU CA C 37 59.302 59.302 57.684 1.618 17879 12020 1 19 . 1 1 38 38 GLU CB C 37 30.154 30.154 29.800 0.354 17879 12021 1 19 . 1 1 38 38 GLU H H 37 8.648 8.648 8.679 -0.031 17879 12022 1 19 . 1 1 39 39 LYS N N 38 115.020 115.020 120.597 -5.577 17879 12023 1 19 . 1 1 39 39 LYS HA H 38 4.188 4.188 4.048 0.140 17879 12024 1 19 . 1 1 39 39 LYS C C 38 176.244 176.244 177.210 -0.966 17879 12025 1 19 . 1 1 39 39 LYS CA C 38 56.564 56.564 57.834 -1.270 17879 12026 1 19 . 1 1 39 39 LYS CB C 38 31.484 31.484 31.789 -0.305 17879 12027 1 19 . 1 1 39 39 LYS H H 38 8.494 8.494 8.230 0.264 17879 12028 1 19 . 1 1 40 40 SER N N 39 113.091 113.091 112.974 0.117 17879 12029 1 19 . 1 1 40 40 SER HA H 39 4.535 4.535 4.304 0.231 17879 12030 1 19 . 1 1 40 40 SER C C 39 174.896 174.896 174.245 0.651 17879 12031 1 19 . 1 1 40 40 SER CA C 39 57.985 57.985 58.133 -0.148 17879 12032 1 19 . 1 1 40 40 SER CB C 39 65.000 65.000 63.698 1.302 17879 12033 1 19 . 1 1 40 40 SER H H 39 7.346 7.346 8.070 -0.724 17879 12034 1 19 . 1 1 41 41 ASP N N 40 127.375 127.375 121.914 5.461 17879 12035 1 19 . 1 1 41 41 ASP HA H 40 4.782 4.782 4.849 -0.067 17879 12036 1 19 . 1 1 41 41 ASP C C 40 175.205 175.205 174.893 0.312 17879 12037 1 19 . 1 1 41 41 ASP CA C 40 53.549 53.549 53.628 -0.079 17879 12038 1 19 . 1 1 41 41 ASP CB C 40 39.916 39.916 40.681 -0.765 17879 12039 1 19 . 1 1 41 41 ASP H H 40 8.744 8.744 8.625 0.119 17879 12040 1 19 . 1 1 42 42 ILE N N 41 122.943 122.943 117.052 5.891 17879 12041 1 19 . 1 1 42 42 ILE HA H 41 4.661 4.661 4.613 0.048 17879 12042 1 19 . 1 1 42 42 ILE CA C 41 59.133 59.133 58.149 0.984 17879 12043 1 19 . 1 1 42 42 ILE CB C 41 40.534 40.534 38.920 1.614 17879 12044 1 19 . 1 1 42 42 ILE H H 41 7.649 7.649 7.345 0.304 17879 12045 1 19 . 1 1 43 43 PRO HA H 42 4.414 4.414 4.526 -0.112 17879 12046 1 19 . 1 1 43 43 PRO C C 42 175.952 175.952 176.239 -0.287 17879 12047 1 19 . 1 1 43 43 PRO CA C 42 63.829 63.829 62.487 1.342 17879 12048 1 19 . 1 1 43 43 PRO CB C 42 32.895 32.895 31.743 1.152 17879 12049 1 19 . 1 1 44 44 GLU N N 43 120.369 120.369 124.138 -3.769 17879 12050 1 19 . 1 1 44 44 GLU HA H 43 4.298 4.298 4.155 0.143 17879 12051 1 19 . 1 1 44 44 GLU C C 43 175.316 175.316 176.947 -1.631 17879 12052 1 19 . 1 1 44 44 GLU CA C 43 56.400 56.400 56.794 -0.394 17879 12053 1 19 . 1 1 44 44 GLU CB C 43 31.282 31.282 30.492 0.790 17879 12054 1 19 . 1 1 44 44 GLU H H 43 8.393 8.393 8.457 -0.064 17879 12055 1 19 . 1 1 45 45 ILE N N 44 123.670 123.670 126.207 -2.537 17879 12056 1 19 . 1 1 45 45 ILE HA H 44 4.419 4.419 4.129 0.290 17879 12057 1 19 . 1 1 45 45 ILE C C 44 174.786 174.786 176.281 -1.495 17879 12058 1 19 . 1 1 45 45 ILE CA C 44 61.027 61.027 61.468 -0.440 17879 12059 1 19 . 1 1 45 45 ILE CB C 44 40.509 40.509 39.178 1.331 17879 12060 1 19 . 1 1 45 45 ILE H H 44 8.067 8.067 8.226 -0.159 17879 12061 1 19 . 1 1 46 46 ASP N N 45 123.340 123.340 124.418 -1.078 17879 12062 1 19 . 1 1 46 46 ASP HA H 45 4.412 4.412 4.487 -0.075 17879 12063 1 19 . 1 1 46 46 ASP C C 45 175.494 175.494 175.639 -0.145 17879 12064 1 19 . 1 1 46 46 ASP CA C 45 55.467 55.467 56.486 -1.019 17879 12065 1 19 . 1 1 46 46 ASP CB C 45 40.320 40.320 41.138 -0.818 17879 12066 1 19 . 1 1 46 46 ASP H H 45 8.468 8.468 8.679 -0.211 17879 12067 1 19 . 1 1 47 47 LYS N N 46 121.295 121.295 113.542 7.753 17879 12068 1 19 . 1 1 47 47 LYS HA H 46 4.428 4.428 4.646 -0.218 17879 12069 1 19 . 1 1 47 47 LYS CA C 46 56.020 56.020 54.421 1.599 17879 12070 1 19 . 1 1 47 47 LYS CB C 46 34.644 34.644 34.706 -0.062 17879 12071 1 19 . 1 1 47 47 LYS H H 46 7.319 7.319 7.531 -0.212 17879 12072 1 19 . 1 1 48 48 ARG N N 47 124.949 124.949 120.021 4.928 17879 12073 1 19 . 1 1 48 48 ARG HA H 47 5.271 5.271 4.736 0.535 17879 12074 1 19 . 1 1 48 48 ARG C C 47 173.546 173.546 174.945 -1.399 17879 12075 1 19 . 1 1 48 48 ARG CA C 47 55.581 55.581 55.547 0.035 17879 12076 1 19 . 1 1 48 48 ARG CB C 47 32.992 32.992 30.450 2.542 17879 12077 1 19 . 1 1 48 48 ARG H H 47 8.558 8.558 8.435 0.123 17879 12078 1 19 . 1 1 49 49 LYS N N 48 122.812 122.812 124.177 -1.365 17879 12079 1 19 . 1 1 49 49 LYS HA H 48 5.030 5.030 4.173 0.857 17879 12080 1 19 . 1 1 49 49 LYS C C 48 174.301 174.301 174.476 -0.175 17879 12081 1 19 . 1 1 49 49 LYS CA C 48 55.042 55.042 56.319 -1.277 17879 12082 1 19 . 1 1 49 49 LYS CB C 48 34.065 34.065 33.284 0.781 17879 12083 1 19 . 1 1 49 49 LYS H H 48 7.440 7.440 8.314 -0.874 17879 12084 1 19 . 1 1 50 50 TYR N N 49 124.842 124.842 124.775 0.067 17879 12085 1 19 . 1 1 50 50 TYR HA H 49 4.721 4.721 4.649 0.072 17879 12086 1 19 . 1 1 50 50 TYR C C 49 173.674 173.674 174.089 -0.415 17879 12087 1 19 . 1 1 50 50 TYR CA C 49 57.192 57.192 57.060 0.132 17879 12088 1 19 . 1 1 50 50 TYR CB C 49 43.123 43.123 41.712 1.411 17879 12089 1 19 . 1 1 50 50 TYR H H 49 9.590 9.590 8.743 0.847 17879 12090 1 19 . 1 1 51 51 LEU N N 50 124.138 124.138 126.328 -2.190 17879 12091 1 19 . 1 1 51 51 LEU HA H 50 4.753 4.753 4.769 -0.016 17879 12092 1 19 . 1 1 51 51 LEU C C 50 176.050 176.050 176.096 -0.046 17879 12093 1 19 . 1 1 51 51 LEU CA C 50 53.158 53.158 53.036 0.122 17879 12094 1 19 . 1 1 51 51 LEU CB C 50 41.155 41.155 41.635 -0.480 17879 12095 1 19 . 1 1 51 51 LEU H H 50 8.901 8.901 8.664 0.237 17879 12096 1 19 . 1 1 52 52 VAL N N 51 123.181 123.181 120.307 2.874 17879 12097 1 19 . 1 1 52 52 VAL HA H 51 3.948 3.948 4.600 -0.652 17879 12098 1 19 . 1 1 52 52 VAL CA C 51 59.724 59.724 59.345 0.379 17879 12099 1 19 . 1 1 52 52 VAL CB C 51 33.605 33.605 32.518 1.087 17879 12100 1 19 . 1 1 52 52 VAL H H 51 8.513 8.513 8.026 0.487 17879 12101 1 19 . 1 1 53 53 PRO HA H 52 4.305 4.305 4.368 -0.063 17879 12102 1 19 . 1 1 53 53 PRO C C 52 176.607 176.607 175.990 0.617 17879 12103 1 19 . 1 1 53 53 PRO CA C 52 63.950 63.950 61.974 1.976 17879 12104 1 19 . 1 1 53 53 PRO CB C 52 32.163 32.163 32.438 -0.275 17879 12105 1 19 . 1 1 54 54 ALA N N 53 123.771 123.771 119.638 4.133 17879 12106 1 19 . 1 1 54 54 ALA HA H 53 3.720 3.720 4.176 -0.456 17879 12107 1 19 . 1 1 54 54 ALA C C 53 176.409 176.409 176.789 -0.380 17879 12108 1 19 . 1 1 54 54 ALA CA C 53 54.742 54.742 52.445 2.297 17879 12109 1 19 . 1 1 54 54 ALA CB C 53 18.948 18.948 19.124 -0.176 17879 12110 1 19 . 1 1 54 54 ALA H H 53 7.926 7.926 8.349 -0.423 17879 12111 1 19 . 1 1 55 55 ASP N N 54 111.152 111.152 118.126 -6.974 17879 12112 1 19 . 1 1 55 55 ASP HA H 54 4.621 4.621 4.644 -0.023 17879 12113 1 19 . 1 1 55 55 ASP C C 54 175.823 175.823 176.334 -0.511 17879 12114 1 19 . 1 1 55 55 ASP CA C 54 52.744 52.744 53.990 -1.246 17879 12115 1 19 . 1 1 55 55 ASP CB C 54 39.861 39.861 41.846 -1.985 17879 12116 1 19 . 1 1 55 55 ASP H H 54 8.106 8.106 7.988 0.118 17879 12117 1 19 . 1 1 56 56 LEU N N 55 121.263 121.263 122.304 -1.041 17879 12118 1 19 . 1 1 56 56 LEU HA H 55 4.351 4.351 4.372 -0.021 17879 12119 1 19 . 1 1 56 56 LEU C C 55 177.459 177.459 177.078 0.381 17879 12120 1 19 . 1 1 56 56 LEU CA C 55 55.472 55.472 55.212 0.260 17879 12121 1 19 . 1 1 56 56 LEU CB C 55 43.593 43.593 42.429 1.164 17879 12122 1 19 . 1 1 56 56 LEU H H 55 7.295 7.295 7.826 -0.531 17879 12123 1 19 . 1 1 57 57 THR N N 56 114.222 114.222 117.227 -3.005 17879 12124 1 19 . 1 1 57 57 THR HA H 56 5.233 5.233 4.618 0.615 17879 12125 1 19 . 1 1 57 57 THR C C 56 176.538 176.538 175.439 1.099 17879 12126 1 19 . 1 1 57 57 THR CA C 56 60.318 60.318 61.321 -1.003 17879 12127 1 19 . 1 1 57 57 THR CB C 56 71.303 71.303 70.601 0.702 17879 12128 1 19 . 1 1 57 57 THR H H 56 8.476 8.476 8.119 0.357 17879 12129 1 19 . 1 1 58 58 VAL N N 57 122.331 122.331 119.056 3.275 17879 12130 1 19 . 1 1 58 58 VAL HA H 57 3.738 3.738 4.111 -0.373 17879 12131 1 19 . 1 1 58 58 VAL C C 57 178.743 178.743 177.523 1.220 17879 12132 1 19 . 1 1 58 58 VAL CA C 57 66.797 66.797 65.718 1.079 17879 12133 1 19 . 1 1 58 58 VAL CB C 57 31.801 31.801 32.147 -0.346 17879 12134 1 19 . 1 1 58 58 VAL H H 57 8.806 8.806 7.836 0.970 17879 12135 1 19 . 1 1 59 59 GLY N N 58 105.470 105.470 105.459 0.011 17879 12136 1 19 . 1 1 59 59 GLY C C 58 176.924 176.924 175.792 1.132 17879 12137 1 19 . 1 1 59 59 GLY CA C 58 47.317 47.317 46.941 0.376 17879 12138 1 19 . 1 1 59 59 GLY H H 58 9.381 9.381 7.956 1.425 17879 12139 1 19 . 1 1 60 60 GLN N N 59 121.492 121.492 118.695 2.797 17879 12140 1 19 . 1 1 60 60 GLN HA H 59 4.166 4.166 4.420 -0.254 17879 12141 1 19 . 1 1 60 60 GLN C C 59 178.605 178.605 177.544 1.061 17879 12142 1 19 . 1 1 60 60 GLN CA C 59 58.764 58.764 56.943 1.821 17879 12143 1 19 . 1 1 60 60 GLN CB C 59 29.129 29.129 29.315 -0.186 17879 12144 1 19 . 1 1 60 60 GLN H H 59 8.027 8.027 7.825 0.202 17879 12145 1 19 . 1 1 61 61 PHE N N 60 122.595 122.595 121.546 1.049 17879 12146 1 19 . 1 1 61 61 PHE HA H 60 4.291 4.291 4.277 0.014 17879 12147 1 19 . 1 1 61 61 PHE C C 60 176.690 176.690 177.151 -0.461 17879 12148 1 19 . 1 1 61 61 PHE CA C 60 61.502 61.502 60.610 0.892 17879 12149 1 19 . 1 1 61 61 PHE CB C 60 39.155 39.155 39.398 -0.243 17879 12150 1 19 . 1 1 61 61 PHE H H 60 8.522 8.522 7.868 0.654 17879 12151 1 19 . 1 1 62 62 VAL N N 61 118.720 118.720 119.710 -0.990 17879 12152 1 19 . 1 1 62 62 VAL HA H 61 3.070 3.070 3.231 -0.161 17879 12153 1 19 . 1 1 62 62 VAL C C 61 176.872 176.872 177.025 -0.153 17879 12154 1 19 . 1 1 62 62 VAL CA C 61 67.040 67.040 66.822 0.218 17879 12155 1 19 . 1 1 62 62 VAL CB C 61 31.119 31.119 31.369 -0.250 17879 12156 1 19 . 1 1 62 62 VAL H H 61 8.705 8.705 8.290 0.415 17879 12157 1 19 . 1 1 63 63 TYR N N 62 118.462 118.462 118.316 0.146 17879 12158 1 19 . 1 1 63 63 TYR HA H 62 3.987 3.987 4.072 -0.085 17879 12159 1 19 . 1 1 63 63 TYR C C 62 177.325 177.325 176.019 1.306 17879 12160 1 19 . 1 1 63 63 TYR CA C 62 61.685 61.685 60.361 1.325 17879 12161 1 19 . 1 1 63 63 TYR CB C 62 37.906 37.906 37.695 0.211 17879 12162 1 19 . 1 1 63 63 TYR H H 62 7.373 7.373 8.117 -0.744 17879 12163 1 19 . 1 1 64 64 VAL N N 63 119.137 119.137 116.334 2.803 17879 12164 1 19 . 1 1 64 64 VAL HA H 63 3.342 3.342 3.164 0.178 17879 12165 1 19 . 1 1 64 64 VAL C C 63 178.326 178.326 177.406 0.920 17879 12166 1 19 . 1 1 64 64 VAL CA C 63 66.615 66.615 64.556 2.059 17879 12167 1 19 . 1 1 64 64 VAL CB C 63 31.157 31.157 31.714 -0.557 17879 12168 1 19 . 1 1 64 64 VAL H H 63 7.376 7.376 7.661 -0.285 17879 12169 1 19 . 1 1 65 65 ILE N N 64 118.858 118.858 119.853 -0.995 17879 12170 1 19 . 1 1 65 65 ILE HA H 64 3.279 3.279 3.681 -0.402 17879 12171 1 19 . 1 1 65 65 ILE C C 64 177.653 177.653 178.167 -0.514 17879 12172 1 19 . 1 1 65 65 ILE CA C 64 63.682 63.682 61.403 2.280 17879 12173 1 19 . 1 1 65 65 ILE CB C 64 36.150 36.150 36.001 0.149 17879 12174 1 19 . 1 1 65 65 ILE H H 64 7.366 7.366 7.511 -0.145 17879 12175 1 19 . 1 1 66 66 ARG N N 65 118.729 118.729 118.440 0.289 17879 12176 1 19 . 1 1 66 66 ARG HA H 65 3.397 3.397 4.105 -0.708 17879 12177 1 19 . 1 1 66 66 ARG C C 65 178.284 178.284 177.594 0.690 17879 12178 1 19 . 1 1 66 66 ARG CA C 65 60.078 60.078 57.537 2.541 17879 12179 1 19 . 1 1 66 66 ARG CB C 65 30.022 30.022 29.971 0.050 17879 12180 1 19 . 1 1 66 66 ARG H H 65 8.463 8.463 8.340 0.123 17879 12181 1 19 . 1 1 67 67 LYS N N 66 116.643 116.643 119.189 -2.546 17879 12182 1 19 . 1 1 67 67 LYS HA H 66 3.951 3.951 4.157 -0.206 17879 12183 1 19 . 1 1 67 67 LYS C C 66 178.989 178.989 178.317 0.672 17879 12184 1 19 . 1 1 67 67 LYS CA C 66 58.347 58.347 58.526 -0.179 17879 12185 1 19 . 1 1 67 67 LYS CB C 66 31.938 31.938 32.449 -0.511 17879 12186 1 19 . 1 1 67 67 LYS H H 66 7.536 7.536 7.602 -0.066 17879 12187 1 19 . 1 1 68 68 ARG N N 67 119.051 119.051 119.473 -0.422 17879 12188 1 19 . 1 1 68 68 ARG HA H 67 4.104 4.104 4.059 0.045 17879 12189 1 19 . 1 1 68 68 ARG C C 67 178.122 178.122 178.689 -0.567 17879 12190 1 19 . 1 1 68 68 ARG CA C 67 58.182 58.182 58.738 -0.556 17879 12191 1 19 . 1 1 68 68 ARG CB C 67 30.273 30.273 30.275 -0.002 17879 12192 1 19 . 1 1 68 68 ARG H H 67 7.783 7.783 7.601 0.182 17879 12193 1 19 . 1 1 69 69 ILE N N 68 112.456 112.456 113.392 -0.936 17879 12194 1 19 . 1 1 69 69 ILE HA H 68 4.223 4.223 4.042 0.181 17879 12195 1 19 . 1 1 69 69 ILE C C 68 174.568 174.568 175.488 -0.920 17879 12196 1 19 . 1 1 69 69 ILE CA C 68 61.502 61.502 61.498 0.004 17879 12197 1 19 . 1 1 69 69 ILE CB C 68 38.643 38.643 37.830 0.813 17879 12198 1 19 . 1 1 69 69 ILE H H 68 7.675 7.675 7.197 0.478 17879 12199 1 19 . 1 1 70 70 MET N N 69 118.509 118.509 112.934 5.575 17879 12200 1 19 . 1 1 70 70 MET HA H 69 3.982 3.982 4.183 -0.201 17879 12201 1 19 . 1 1 70 70 MET C C 69 175.482 175.482 174.820 0.662 17879 12202 1 19 . 1 1 70 70 MET CA C 69 55.811 55.811 55.700 0.111 17879 12203 1 19 . 1 1 70 70 MET CB C 69 29.392 29.392 30.339 -0.947 17879 12204 1 19 . 1 1 70 70 MET H H 69 7.805 7.805 7.529 0.276 17879 12205 1 19 . 1 1 71 71 LEU N N 70 121.952 121.952 120.203 1.749 17879 12206 1 19 . 1 1 71 71 LEU HA H 70 4.603 4.603 4.252 0.351 17879 12207 1 19 . 1 1 71 71 LEU CA C 70 52.560 52.560 54.265 -1.705 17879 12208 1 19 . 1 1 71 71 LEU CB C 70 44.045 44.045 41.902 2.143 17879 12209 1 19 . 1 1 71 71 LEU H H 70 7.493 7.493 7.620 -0.127 17879 12210 1 19 . 1 1 72 72 PRO HA H 71 4.678 4.678 4.799 -0.121 17879 12211 1 19 . 1 1 72 72 PRO CA C 71 62.124 62.124 61.149 0.975 17879 12212 1 19 . 1 1 72 72 PRO CB C 71 31.307 31.307 31.237 0.070 17879 12213 1 19 . 1 1 73 73 PRO HA H 72 4.123 4.123 4.416 -0.293 17879 12214 1 19 . 1 1 73 73 PRO C C 72 177.052 177.052 176.605 0.447 17879 12215 1 19 . 1 1 73 73 PRO CA C 72 64.924 64.924 64.342 0.582 17879 12216 1 19 . 1 1 73 73 PRO CB C 72 32.049 32.049 31.998 0.051 17879 12217 1 19 . 1 1 74 74 GLU N N 73 115.091 115.091 117.276 -2.185 17879 12218 1 19 . 1 1 74 74 GLU HA H 73 4.181 4.181 4.352 -0.171 17879 12219 1 19 . 1 1 74 74 GLU C C 73 176.459 176.459 176.916 -0.457 17879 12220 1 19 . 1 1 74 74 GLU CA C 73 57.774 57.774 56.529 1.245 17879 12221 1 19 . 1 1 74 74 GLU CB C 73 28.321 28.321 29.504 -1.183 17879 12222 1 19 . 1 1 74 74 GLU H H 73 9.065 9.065 8.686 0.379 17879 12223 1 19 . 1 1 75 75 LYS N N 74 121.755 121.755 120.051 1.704 17879 12224 1 19 . 1 1 75 75 LYS HA H 74 4.520 4.520 4.458 0.062 17879 12225 1 19 . 1 1 75 75 LYS C C 74 174.789 174.789 174.610 0.179 17879 12226 1 19 . 1 1 75 75 LYS CA C 74 54.789 54.789 55.462 -0.673 17879 12227 1 19 . 1 1 75 75 LYS CB C 74 32.882 32.882 34.259 -1.377 17879 12228 1 19 . 1 1 75 75 LYS H H 74 7.797 7.797 7.527 0.270 17879 12229 1 19 . 1 1 76 76 ALA N N 75 127.848 127.848 120.396 7.452 17879 12230 1 19 . 1 1 76 76 ALA HA H 75 4.072 4.072 4.566 -0.494 17879 12231 1 19 . 1 1 76 76 ALA C C 75 175.710 175.710 175.164 0.546 17879 12232 1 19 . 1 1 76 76 ALA CA C 75 52.226 52.226 51.251 0.975 17879 12233 1 19 . 1 1 76 76 ALA CB C 75 20.956 20.956 21.635 -0.679 17879 12234 1 19 . 1 1 76 76 ALA H H 75 8.410 8.410 8.345 0.065 17879 12235 1 19 . 1 1 77 77 ILE N N 76 114.298 114.298 120.075 -5.777 17879 12236 1 19 . 1 1 77 77 ILE HA H 76 4.593 4.593 4.603 -0.010 17879 12237 1 19 . 1 1 77 77 ILE C C 76 172.379 172.379 173.522 -1.143 17879 12238 1 19 . 1 1 77 77 ILE CA C 76 59.699 59.699 61.581 -1.881 17879 12239 1 19 . 1 1 77 77 ILE CB C 76 41.218 41.218 40.556 0.662 17879 12240 1 19 . 1 1 77 77 ILE H H 76 7.193 7.193 7.907 -0.714 17879 12241 1 19 . 1 1 78 78 PHE N N 77 124.094 124.094 126.489 -2.395 17879 12242 1 19 . 1 1 78 78 PHE HA H 77 4.556 4.556 4.989 -0.433 17879 12243 1 19 . 1 1 78 78 PHE C C 77 174.359 174.359 174.932 -0.573 17879 12244 1 19 . 1 1 78 78 PHE CA C 77 56.596 56.596 56.310 0.286 17879 12245 1 19 . 1 1 78 78 PHE CB C 77 42.370 42.370 42.074 0.296 17879 12246 1 19 . 1 1 78 78 PHE H H 77 8.931 8.931 9.439 -0.508 17879 12247 1 19 . 1 1 79 79 ILE N N 78 117.724 117.724 120.408 -2.684 17879 12248 1 19 . 1 1 79 79 ILE HA H 78 5.233 5.233 5.047 0.186 17879 12249 1 19 . 1 1 79 79 ILE C C 78 173.334 173.334 175.523 -2.189 17879 12250 1 19 . 1 1 79 79 ILE CA C 78 58.130 58.130 60.917 -2.787 17879 12251 1 19 . 1 1 79 79 ILE CB C 78 39.360 39.360 39.116 0.244 17879 12252 1 19 . 1 1 79 79 ILE H H 78 8.025 8.025 8.747 -0.722 17879 12253 1 19 . 1 1 80 80 PHE N N 79 121.084 121.084 122.274 -1.190 17879 12254 1 19 . 1 1 80 80 PHE HA H 79 5.365 5.365 4.908 0.457 17879 12255 1 19 . 1 1 80 80 PHE C C 79 176.270 176.270 173.967 2.303 17879 12256 1 19 . 1 1 80 80 PHE CA C 79 55.948 55.948 57.533 -1.585 17879 12257 1 19 . 1 1 80 80 PHE CB C 79 42.763 42.763 43.352 -0.589 17879 12258 1 19 . 1 1 80 80 PHE H H 79 9.210 9.210 9.003 0.207 17879 12259 1 19 . 1 1 81 81 VAL N N 80 117.974 117.974 122.360 -4.386 17879 12260 1 19 . 1 1 81 81 VAL HA H 80 4.520 4.520 4.548 -0.028 17879 12261 1 19 . 1 1 81 81 VAL C C 80 175.699 175.699 175.533 0.166 17879 12262 1 19 . 1 1 81 81 VAL CA C 80 60.484 60.484 61.318 -0.834 17879 12263 1 19 . 1 1 81 81 VAL CB C 80 34.263 34.263 34.008 0.255 17879 12264 1 19 . 1 1 81 81 VAL H H 80 8.832 8.832 9.068 -0.236 17879 12265 1 19 . 1 1 82 82 ASN N N 81 127.615 127.615 125.680 1.935 17879 12266 1 19 . 1 1 82 82 ASN HA H 81 4.339 4.339 4.333 0.006 17879 12267 1 19 . 1 1 82 82 ASN C C 81 174.036 174.036 174.676 -0.640 17879 12268 1 19 . 1 1 82 82 ASN CA C 81 55.231 55.231 54.594 0.637 17879 12269 1 19 . 1 1 82 82 ASN CB C 81 37.408 37.408 37.302 0.106 17879 12270 1 19 . 1 1 82 82 ASN H H 81 9.689 9.689 9.119 0.570 17879 12271 1 19 . 1 1 83 83 ASP N N 82 112.699 112.699 114.991 -2.292 17879 12272 1 19 . 1 1 83 83 ASP HA H 82 4.135 4.135 4.450 -0.315 17879 12273 1 19 . 1 1 83 83 ASP C C 82 174.560 174.560 174.511 0.049 17879 12274 1 19 . 1 1 83 83 ASP CA C 82 55.638 55.638 55.482 0.156 17879 12275 1 19 . 1 1 83 83 ASP CB C 82 39.564 39.564 40.463 -0.899 17879 12276 1 19 . 1 1 83 83 ASP H H 82 8.772 8.772 8.622 0.150 17879 12277 1 19 . 1 1 84 84 THR N N 83 112.567 112.567 114.205 -1.638 17879 12278 1 19 . 1 1 84 84 THR HA H 83 4.715 4.715 4.616 0.099 17879 12279 1 19 . 1 1 84 84 THR C C 83 172.200 172.200 172.785 -0.585 17879 12280 1 19 . 1 1 84 84 THR CA C 83 60.868 60.868 61.397 -0.529 17879 12281 1 19 . 1 1 84 84 THR CB C 83 72.206 72.206 71.371 0.836 17879 12282 1 19 . 1 1 84 84 THR H H 83 8.080 8.080 7.836 0.244 17879 12283 1 19 . 1 1 85 85 LEU N N 84 125.810 125.810 129.386 -3.576 17879 12284 1 19 . 1 1 85 85 LEU HA H 84 5.127 5.127 4.564 0.563 17879 12285 1 19 . 1 1 85 85 LEU CA C 84 51.927 51.927 52.159 -0.232 17879 12286 1 19 . 1 1 85 85 LEU CB C 84 42.779 42.779 42.711 0.068 17879 12287 1 19 . 1 1 85 85 LEU H H 84 8.520 8.520 8.547 -0.027 17879 12288 1 19 . 1 1 86 86 PRO HA H 85 4.835 4.835 4.734 0.101 17879 12289 1 19 . 1 1 86 86 PRO CA C 85 60.910 60.910 61.180 -0.270 17879 12290 1 19 . 1 1 86 86 PRO CB C 85 30.852 30.852 31.116 -0.264 17879 12291 1 19 . 1 1 87 87 PRO HA H 86 4.577 4.577 4.529 0.048 17879 12292 1 19 . 1 1 87 87 PRO C C 86 177.830 177.830 177.037 0.793 17879 12293 1 19 . 1 1 87 87 PRO CA C 86 62.424 62.424 62.454 -0.030 17879 12294 1 19 . 1 1 87 87 PRO CB C 86 31.910 31.910 32.124 -0.214 17879 12295 1 19 . 1 1 88 88 THR N N 87 114.642 114.642 108.955 5.687 17879 12296 1 19 . 1 1 88 88 THR HA H 87 3.802 3.802 4.286 -0.484 17879 12297 1 19 . 1 1 88 88 THR C C 87 175.702 175.702 175.742 -0.040 17879 12298 1 19 . 1 1 88 88 THR CA C 87 65.079 65.079 64.506 0.573 17879 12299 1 19 . 1 1 88 88 THR CB C 87 68.818 68.818 68.708 0.110 17879 12300 1 19 . 1 1 88 88 THR H H 87 8.291 8.291 8.099 0.192 17879 12301 1 19 . 1 1 89 89 ALA N N 88 119.706 119.706 122.789 -3.083 17879 12302 1 19 . 1 1 89 89 ALA HA H 88 4.420 4.420 4.354 0.066 17879 12303 1 19 . 1 1 89 89 ALA C C 88 177.690 177.690 177.931 -0.241 17879 12304 1 19 . 1 1 89 89 ALA CA C 88 52.118 52.118 52.009 0.109 17879 12305 1 19 . 1 1 89 89 ALA CB C 88 19.334 19.334 17.677 1.657 17879 12306 1 19 . 1 1 89 89 ALA H H 88 8.031 8.031 8.139 -0.108 17879 12307 1 19 . 1 1 90 90 ALA N N 89 120.388 120.388 123.060 -2.672 17879 12308 1 19 . 1 1 90 90 ALA HA H 89 4.179 4.179 4.306 -0.127 17879 12309 1 19 . 1 1 90 90 ALA C C 89 176.520 176.520 176.636 -0.116 17879 12310 1 19 . 1 1 90 90 ALA CA C 89 52.454 52.454 51.250 1.204 17879 12311 1 19 . 1 1 90 90 ALA CB C 89 19.301 19.301 17.458 1.843 17879 12312 1 19 . 1 1 90 90 ALA H H 89 7.465 7.465 7.391 0.074 17879 12313 1 19 . 1 1 91 91 LEU N N 90 119.307 119.307 122.283 -2.976 17879 12314 1 19 . 1 1 91 91 LEU HA H 90 4.490 4.490 4.007 0.483 17879 12315 1 19 . 1 1 91 91 LEU C C 90 179.555 179.555 177.910 1.645 17879 12316 1 19 . 1 1 91 91 LEU CA C 90 54.578 54.578 55.633 -1.054 17879 12317 1 19 . 1 1 91 91 LEU CB C 90 42.689 42.689 41.134 1.555 17879 12318 1 19 . 1 1 91 91 LEU H H 90 8.458 8.458 8.448 0.010 17879 12319 1 19 . 1 1 92 92 MET N N 91 121.586 121.586 124.475 -2.889 17879 12320 1 19 . 1 1 92 92 MET HA H 91 4.231 4.231 3.866 0.365 17879 12321 1 19 . 1 1 92 92 MET C C 91 178.860 178.860 178.756 0.104 17879 12322 1 19 . 1 1 92 92 MET CA C 91 56.938 56.938 59.365 -2.427 17879 12323 1 19 . 1 1 92 92 MET CB C 91 29.372 29.372 31.723 -2.351 17879 12324 1 19 . 1 1 92 92 MET H H 91 9.203 9.203 8.461 0.742 17879 12325 1 19 . 1 1 93 93 SER N N 92 112.826 112.826 114.672 -1.846 17879 12326 1 19 . 1 1 93 93 SER HA H 92 3.978 3.978 4.066 -0.088 17879 12327 1 19 . 1 1 93 93 SER C C 92 176.318 176.318 176.190 0.128 17879 12328 1 19 . 1 1 93 93 SER CA C 92 60.871 60.871 61.307 -0.436 17879 12329 1 19 . 1 1 93 93 SER CB C 92 61.575 61.575 62.920 -1.345 17879 12330 1 19 . 1 1 93 93 SER H H 92 8.717 8.717 8.389 0.328 17879 12331 1 19 . 1 1 94 94 ALA N N 93 126.735 126.735 123.208 3.527 17879 12332 1 19 . 1 1 94 94 ALA HA H 93 4.357 4.357 4.135 0.222 17879 12333 1 19 . 1 1 94 94 ALA C C 93 180.789 180.789 178.953 1.836 17879 12334 1 19 . 1 1 94 94 ALA CA C 93 54.841 54.841 54.428 0.413 17879 12335 1 19 . 1 1 94 94 ALA CB C 93 18.603 18.603 18.416 0.187 17879 12336 1 19 . 1 1 94 94 ALA H H 93 7.058 7.058 7.827 -0.769 17879 12337 1 19 . 1 1 95 95 ILE N N 94 118.720 118.720 117.421 1.299 17879 12338 1 19 . 1 1 95 95 ILE HA H 94 4.063 4.063 3.913 0.150 17879 12339 1 19 . 1 1 95 95 ILE C C 94 178.326 178.326 177.421 0.905 17879 12340 1 19 . 1 1 95 95 ILE CA C 94 62.755 62.755 62.541 0.214 17879 12341 1 19 . 1 1 95 95 ILE CB C 94 36.410 36.410 38.076 -1.666 17879 12342 1 19 . 1 1 95 95 ILE H H 94 7.872 7.872 7.736 0.136 17879 12343 1 19 . 1 1 96 96 TYR N N 95 120.697 120.697 119.591 1.106 17879 12344 1 19 . 1 1 96 96 TYR HA H 95 4.007 4.007 4.226 -0.219 17879 12345 1 19 . 1 1 96 96 TYR C C 95 176.022 176.022 176.052 -0.030 17879 12346 1 19 . 1 1 96 96 TYR CA C 95 62.187 62.187 60.038 2.149 17879 12347 1 19 . 1 1 96 96 TYR CB C 95 39.093 39.093 38.764 0.329 17879 12348 1 19 . 1 1 96 96 TYR H H 95 8.841 8.841 8.248 0.593 17879 12349 1 19 . 1 1 97 97 GLN N N 96 114.982 114.982 117.539 -2.557 17879 12350 1 19 . 1 1 97 97 GLN HA H 96 3.778 3.778 4.338 -0.560 17879 12351 1 19 . 1 1 97 97 GLN C C 96 177.250 177.250 176.340 0.910 17879 12352 1 19 . 1 1 97 97 GLN CA C 96 58.719 58.719 56.541 2.178 17879 12353 1 19 . 1 1 97 97 GLN CB C 96 28.286 28.286 29.556 -1.270 17879 12354 1 19 . 1 1 97 97 GLN H H 96 7.757 7.757 7.831 -0.074 17879 12355 1 19 . 1 1 98 98 GLU N N 97 114.340 114.340 118.039 -3.699 17879 12356 1 19 . 1 1 98 98 GLU HA H 97 4.099 4.099 4.296 -0.197 17879 12357 1 19 . 1 1 98 98 GLU C C 97 178.140 178.140 176.800 1.340 17879 12358 1 19 . 1 1 98 98 GLU CA C 97 57.886 57.886 56.577 1.309 17879 12359 1 19 . 1 1 98 98 GLU CB C 97 31.589 31.589 31.182 0.407 17879 12360 1 19 . 1 1 98 98 GLU H H 97 7.117 7.117 7.599 -0.482 17879 12361 1 19 . 1 1 99 99 HIS N N 98 113.377 113.377 116.924 -3.547 17879 12362 1 19 . 1 1 99 99 HIS HA H 98 4.829 4.829 4.839 -0.010 17879 12363 1 19 . 1 1 99 99 HIS C C 98 175.856 175.856 173.868 1.988 17879 12364 1 19 . 1 1 99 99 HIS CA C 98 56.738 56.738 54.437 2.301 17879 12365 1 19 . 1 1 99 99 HIS CB C 98 32.930 32.930 31.299 1.631 17879 12366 1 19 . 1 1 99 99 HIS H H 98 8.247 8.247 7.909 0.338 17879 12367 1 19 . 1 1 100 100 LYS N N 99 120.905 120.905 119.460 1.445 17879 12368 1 19 . 1 1 100 100 LYS HA H 99 3.994 3.994 3.825 0.169 17879 12369 1 19 . 1 1 100 100 LYS C C 99 174.832 174.832 175.960 -1.128 17879 12370 1 19 . 1 1 100 100 LYS CA C 99 57.693 57.693 56.495 1.198 17879 12371 1 19 . 1 1 100 100 LYS CB C 99 31.703 31.703 32.445 -0.742 17879 12372 1 19 . 1 1 100 100 LYS H H 99 8.065 8.065 7.564 0.501 17879 12373 1 19 . 1 1 101 101 ASP N N 100 124.188 124.188 120.600 3.588 17879 12374 1 19 . 1 1 101 101 ASP HA H 100 4.765 4.765 4.886 -0.121 17879 12375 1 19 . 1 1 101 101 ASP C C 100 177.692 177.692 176.490 1.202 17879 12376 1 19 . 1 1 101 101 ASP CA C 100 54.030 54.030 51.652 2.378 17879 12377 1 19 . 1 1 101 101 ASP CB C 100 43.429 43.429 43.375 0.054 17879 12378 1 19 . 1 1 101 101 ASP H H 100 9.027 9.027 7.899 1.128 17879 12379 1 19 . 1 1 102 102 LYS N N 101 125.898 125.898 119.121 6.777 17879 12380 1 19 . 1 1 102 102 LYS HA H 101 4.239 4.239 4.126 0.113 17879 12381 1 19 . 1 1 102 102 LYS C C 101 178.053 178.053 177.574 0.479 17879 12382 1 19 . 1 1 102 102 LYS CA C 101 59.482 59.482 59.204 0.278 17879 12383 1 19 . 1 1 102 102 LYS CB C 101 32.821 32.821 32.785 0.036 17879 12384 1 19 . 1 1 102 102 LYS H H 101 8.678 8.678 8.655 0.023 17879 12385 1 19 . 1 1 103 103 ASP N N 102 119.326 119.326 115.482 3.844 17879 12386 1 19 . 1 1 103 103 ASP HA H 102 4.127 4.127 4.493 -0.366 17879 12387 1 19 . 1 1 103 103 ASP C C 102 176.833 176.833 177.388 -0.555 17879 12388 1 19 . 1 1 103 103 ASP CA C 102 54.666 54.666 55.191 -0.524 17879 12389 1 19 . 1 1 103 103 ASP CB C 102 39.848 39.848 40.828 -0.980 17879 12390 1 19 . 1 1 103 103 ASP H H 102 10.276 10.276 8.545 1.731 17879 12391 1 19 . 1 1 104 104 GLY N N 103 106.059 106.059 107.356 -1.297 17879 12392 1 19 . 1 1 104 104 GLY C C 103 174.655 174.655 174.788 -0.133 17879 12393 1 19 . 1 1 104 104 GLY CA C 103 45.319 45.319 45.341 -0.022 17879 12394 1 19 . 1 1 104 104 GLY H H 103 8.173 8.173 8.105 0.068 17879 12395 1 19 . 1 1 105 105 PHE N N 104 121.781 121.781 120.872 0.909 17879 12396 1 19 . 1 1 105 105 PHE HA H 104 4.682 4.682 4.500 0.182 17879 12397 1 19 . 1 1 105 105 PHE C C 104 174.830 174.830 176.107 -1.277 17879 12398 1 19 . 1 1 105 105 PHE CA C 104 59.377 59.377 59.534 -0.157 17879 12399 1 19 . 1 1 105 105 PHE CB C 104 39.938 39.938 39.504 0.434 17879 12400 1 19 . 1 1 105 105 PHE H H 104 9.600 9.600 7.501 2.099 17879 12401 1 19 . 1 1 106 106 LEU N N 105 119.929 119.929 122.008 -2.079 17879 12402 1 19 . 1 1 106 106 LEU HA H 105 4.897 4.897 4.211 0.686 17879 12403 1 19 . 1 1 106 106 LEU C C 105 173.947 173.947 175.923 -1.976 17879 12404 1 19 . 1 1 106 106 LEU CA C 105 53.463 53.463 53.977 -0.514 17879 12405 1 19 . 1 1 106 106 LEU CB C 105 45.066 45.066 43.525 1.541 17879 12406 1 19 . 1 1 106 106 LEU H H 105 8.376 8.376 8.719 -0.343 17879 12407 1 19 . 1 1 107 107 TYR N N 106 127.637 127.637 121.392 6.245 17879 12408 1 19 . 1 1 107 107 TYR HA H 106 4.992 4.992 4.842 0.150 17879 12409 1 19 . 1 1 107 107 TYR C C 106 176.099 176.099 175.028 1.071 17879 12410 1 19 . 1 1 107 107 TYR CA C 106 58.893 58.893 56.977 1.916 17879 12411 1 19 . 1 1 107 107 TYR CB C 106 38.140 38.140 37.959 0.181 17879 12412 1 19 . 1 1 107 107 TYR H H 106 9.124 9.124 8.416 0.708 17879 12413 1 19 . 1 1 108 108 VAL N N 107 121.630 121.630 122.259 -0.629 17879 12414 1 19 . 1 1 108 108 VAL HA H 107 5.135 5.135 4.580 0.555 17879 12415 1 19 . 1 1 108 108 VAL C C 107 175.722 175.722 175.015 0.707 17879 12416 1 19 . 1 1 108 108 VAL CA C 107 59.587 59.587 60.095 -0.508 17879 12417 1 19 . 1 1 108 108 VAL CB C 107 34.787 34.787 34.279 0.508 17879 12418 1 19 . 1 1 108 108 VAL H H 107 9.560 9.560 8.404 1.156 17879 12419 1 19 . 1 1 109 109 THR N N 108 119.845 119.845 117.988 1.857 17879 12420 1 19 . 1 1 109 109 THR HA H 108 6.155 6.155 5.252 0.903 17879 12421 1 19 . 1 1 109 109 THR C C 108 174.158 174.158 173.185 0.973 17879 12422 1 19 . 1 1 109 109 THR CA C 108 59.869 59.869 61.711 -1.842 17879 12423 1 19 . 1 1 109 109 THR CB C 108 72.268 72.268 71.292 0.976 17879 12424 1 19 . 1 1 109 109 THR H H 108 9.061 9.061 8.132 0.929 17879 12425 1 19 . 1 1 110 110 TYR N N 109 119.706 119.706 123.154 -3.448 17879 12426 1 19 . 1 1 110 110 TYR HA H 109 6.332 6.332 5.856 0.476 17879 12427 1 19 . 1 1 110 110 TYR C C 109 173.366 173.366 173.924 -0.558 17879 12428 1 19 . 1 1 110 110 TYR CA C 109 54.655 54.655 54.855 -0.200 17879 12429 1 19 . 1 1 110 110 TYR CB C 109 42.250 42.250 40.583 1.667 17879 12430 1 19 . 1 1 110 110 TYR H H 109 8.461 8.461 9.315 -0.854 17879 12431 1 19 . 1 1 111 111 SER N N 110 112.907 112.907 117.646 -4.739 17879 12432 1 19 . 1 1 111 111 SER HA H 110 4.745 4.745 4.954 -0.209 17879 12433 1 19 . 1 1 111 111 SER C C 110 173.692 173.692 175.676 -1.984 17879 12434 1 19 . 1 1 111 111 SER CA C 110 56.044 56.044 55.690 0.354 17879 12435 1 19 . 1 1 111 111 SER CB C 110 66.177 66.177 66.074 0.103 17879 12436 1 19 . 1 1 111 111 SER H H 110 9.089 9.089 9.410 -0.321 17879 12437 1 19 . 1 1 112 112 GLY N N 111 111.054 111.054 110.065 0.989 17879 12438 1 19 . 1 1 112 112 GLY C C 111 173.331 173.331 174.177 -0.846 17879 12439 1 19 . 1 1 112 112 GLY CA C 111 45.341 45.341 46.029 -0.688 17879 12440 1 19 . 1 1 112 112 GLY H H 111 8.443 8.443 9.017 -0.574 17879 12441 1 19 . 1 1 113 113 GLU N N 112 118.801 118.801 117.825 0.976 17879 12442 1 19 . 1 1 113 113 GLU HA H 112 4.660 4.660 4.577 0.083 17879 12443 1 19 . 1 1 113 113 GLU C C 112 174.538 174.538 174.713 -0.175 17879 12444 1 19 . 1 1 113 113 GLU CA C 112 55.642 55.642 54.708 0.934 17879 12445 1 19 . 1 1 113 113 GLU CB C 112 32.930 32.930 31.978 0.952 17879 12446 1 19 . 1 1 113 113 GLU H H 112 8.413 8.413 7.348 1.065 17879 12447 1 19 . 1 1 114 114 ASN N N 113 118.152 118.152 118.776 -0.624 17879 12448 1 19 . 1 1 114 114 ASN HA H 113 4.187 4.187 4.750 -0.563 17879 12449 1 19 . 1 1 114 114 ASN C C 113 175.011 175.011 174.157 0.854 17879 12450 1 19 . 1 1 114 114 ASN CA C 113 51.910 51.910 52.375 -0.465 17879 12451 1 19 . 1 1 114 114 ASN CB C 113 36.865 36.865 37.584 -0.719 17879 12452 1 19 . 1 1 114 114 ASN H H 113 8.207 8.207 8.597 -0.390 17879 12453 1 19 . 1 1 115 115 THR N N 114 112.887 112.887 116.353 -3.466 17879 12454 1 19 . 1 1 115 115 THR HA H 114 4.190 4.190 4.761 -0.571 17879 12455 1 19 . 1 1 115 115 THR C C 114 173.575 173.575 173.726 -0.151 17879 12456 1 19 . 1 1 115 115 THR CA C 114 61.149 61.149 60.918 0.231 17879 12457 1 19 . 1 1 115 115 THR CB C 114 69.859 69.859 70.378 -0.519 17879 12458 1 19 . 1 1 115 115 THR H H 114 7.411 7.411 7.660 -0.249 17879 12459 1 19 . 1 1 116 116 PHE N N 115 121.474 121.474 117.714 3.760 17879 12460 1 19 . 1 1 116 116 PHE HA H 115 4.451 4.451 4.639 -0.188 17879 12461 1 19 . 1 1 116 116 PHE C C 115 175.078 175.078 174.776 0.302 17879 12462 1 19 . 1 1 116 116 PHE CA C 115 57.681 57.681 56.322 1.359 17879 12463 1 19 . 1 1 116 116 PHE CB C 115 39.569 39.569 39.504 0.065 17879 12464 1 19 . 1 1 116 116 PHE H H 115 8.021 8.021 7.997 0.024 17879 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 106 3.343 -0.358 3.339 17879 2 1 1 "Average Difference" HA 118 0.348 -0.011 0.349 17879 3 1 1 "Average Difference" C 105 0.926 -0.084 0.927 17879 4 1 1 "Average Difference" CA 115 1.242 -0.184 1.234 17879 5 1 1 "Average Difference" CB 112 1.127 -0.106 1.128 17879 6 1 1 "Average Difference" HN 106 0.569 -0.162 0.548 17879 7 1 2 "Average Difference" N 106 3.378 -0.351 3.376 17879 8 1 2 "Average Difference" HA 118 0.316 -0.004 0.317 17879 9 1 2 "Average Difference" C 105 0.959 -0.173 0.947 17879 10 1 2 "Average Difference" CA 115 1.234 -0.289 1.205 17879 11 1 2 "Average Difference" CB 112 1.093 -0.098 1.093 17879 12 1 2 "Average Difference" HN 106 0.561 -0.190 0.531 17879 13 1 3 "Average Difference" N 106 3.826 -0.383 3.825 17879 14 1 3 "Average Difference" HA 118 0.355 -0.036 0.355 17879 15 1 3 "Average Difference" C 105 0.950 -0.128 0.946 17879 16 1 3 "Average Difference" CA 115 1.256 -0.205 1.245 17879 17 1 3 "Average Difference" CB 112 1.210 -0.175 1.202 17879 18 1 3 "Average Difference" HN 106 0.618 -0.189 0.591 17879 19 1 4 "Average Difference" N 106 3.529 -0.379 3.526 17879 20 1 4 "Average Difference" HA 118 0.342 -0.004 0.343 17879 21 1 4 "Average Difference" C 105 0.873 -0.166 0.861 17879 22 1 4 "Average Difference" CA 115 1.257 -0.256 1.236 17879 23 1 4 "Average Difference" CB 112 1.141 -0.134 1.138 17879 24 1 4 "Average Difference" HN 106 0.527 -0.181 0.497 17879 25 1 5 "Average Difference" N 106 3.707 -0.705 3.657 17879 26 1 5 "Average Difference" HA 118 0.314 -0.009 0.315 17879 27 1 5 "Average Difference" C 105 0.919 -0.099 0.918 17879 28 1 5 "Average Difference" CA 115 1.210 -0.192 1.199 17879 29 1 5 "Average Difference" CB 112 1.078 -0.051 1.081 17879 30 1 5 "Average Difference" HN 106 0.574 -0.173 0.550 17879 31 1 6 "Average Difference" N 106 3.499 -0.250 3.507 17879 32 1 6 "Average Difference" HA 118 0.337 -0.009 0.338 17879 33 1 6 "Average Difference" C 105 0.923 -0.097 0.923 17879 34 1 6 "Average Difference" CA 115 1.223 -0.175 1.216 17879 35 1 6 "Average Difference" CB 112 1.103 -0.153 1.098 17879 36 1 6 "Average Difference" HN 106 0.562 -0.174 0.537 17879 37 1 7 "Average Difference" N 106 3.674 -0.421 3.667 17879 38 1 7 "Average Difference" HA 118 0.340 -0.030 0.340 17879 39 1 7 "Average Difference" C 105 0.992 -0.167 0.983 17879 40 1 7 "Average Difference" CA 115 1.191 -0.230 1.174 17879 41 1 7 "Average Difference" CB 112 1.140 -0.177 1.131 17879 42 1 7 "Average Difference" HN 106 0.544 -0.167 0.520 17879 43 1 8 "Average Difference" N 106 3.489 -0.455 3.476 17879 44 1 8 "Average Difference" HA 118 0.359 -0.016 0.360 17879 45 1 8 "Average Difference" C 105 0.935 -0.140 0.929 17879 46 1 8 "Average Difference" CA 115 1.224 -0.279 1.197 17879 47 1 8 "Average Difference" CB 112 1.128 -0.100 1.129 17879 48 1 8 "Average Difference" HN 106 0.592 -0.187 0.564 17879 49 1 9 "Average Difference" N 106 3.564 -0.409 3.557 17879 50 1 9 "Average Difference" HA 118 0.342 -0.008 0.344 17879 51 1 9 "Average Difference" C 105 0.904 -0.167 0.893 17879 52 1 9 "Average Difference" CA 115 1.236 -0.285 1.208 17879 53 1 9 "Average Difference" CB 112 1.184 -0.114 1.183 17879 54 1 9 "Average Difference" HN 106 0.559 -0.180 0.532 17879 55 1 10 "Average Difference" N 106 3.406 -0.427 3.395 17879 56 1 10 "Average Difference" HA 118 0.333 0.013 0.334 17879 57 1 10 "Average Difference" C 105 0.945 -0.100 0.944 17879 58 1 10 "Average Difference" CA 115 1.246 -0.291 1.217 17879 59 1 10 "Average Difference" CB 112 1.148 -0.092 1.150 17879 60 1 10 "Average Difference" HN 106 0.552 -0.147 0.534 17879 61 1 11 "Average Difference" N 106 3.608 -0.452 3.596 17879 62 1 11 "Average Difference" HA 118 0.326 0.012 0.328 17879 63 1 11 "Average Difference" C 105 0.898 -0.168 0.886 17879 64 1 11 "Average Difference" CA 115 1.251 -0.301 1.219 17879 65 1 11 "Average Difference" CB 112 1.150 -0.153 1.145 17879 66 1 11 "Average Difference" HN 106 0.544 -0.163 0.522 17879 67 1 12 "Average Difference" N 106 3.625 -0.621 3.589 17879 68 1 12 "Average Difference" HA 118 0.347 -0.004 0.349 17879 69 1 12 "Average Difference" C 105 0.959 -0.081 0.960 17879 70 1 12 "Average Difference" CA 115 1.243 -0.262 1.220 17879 71 1 12 "Average Difference" CB 112 1.131 -0.116 1.130 17879 72 1 12 "Average Difference" HN 106 0.562 -0.168 0.539 17879 73 1 13 "Average Difference" N 106 3.535 -0.552 3.509 17879 74 1 13 "Average Difference" HA 118 0.322 0.005 0.324 17879 75 1 13 "Average Difference" C 105 0.907 -0.102 0.905 17879 76 1 13 "Average Difference" CA 115 1.124 -0.192 1.112 17879 77 1 13 "Average Difference" CB 112 1.151 -0.092 1.152 17879 78 1 13 "Average Difference" HN 106 0.600 -0.184 0.574 17879 79 1 14 "Average Difference" N 106 3.576 -0.331 3.577 17879 80 1 14 "Average Difference" HA 118 0.346 -0.011 0.347 17879 81 1 14 "Average Difference" C 105 1.009 -0.112 1.007 17879 82 1 14 "Average Difference" CA 115 1.197 -0.237 1.178 17879 83 1 14 "Average Difference" CB 112 1.130 -0.139 1.127 17879 84 1 14 "Average Difference" HN 106 0.598 -0.160 0.579 17879 85 1 15 "Average Difference" N 106 3.632 -0.451 3.621 17879 86 1 15 "Average Difference" HA 118 0.352 -0.025 0.353 17879 87 1 15 "Average Difference" C 105 0.989 -0.146 0.982 17879 88 1 15 "Average Difference" CA 115 1.242 -0.206 1.230 17879 89 1 15 "Average Difference" CB 112 1.153 -0.168 1.145 17879 90 1 15 "Average Difference" HN 106 0.560 -0.195 0.528 17879 91 1 16 "Average Difference" N 106 3.542 -0.410 3.535 17879 92 1 16 "Average Difference" HA 118 0.338 -0.005 0.339 17879 93 1 16 "Average Difference" C 105 0.910 -0.189 0.895 17879 94 1 16 "Average Difference" CA 115 1.229 -0.309 1.195 17879 95 1 16 "Average Difference" CB 112 1.186 -0.151 1.182 17879 96 1 16 "Average Difference" HN 106 0.552 -0.182 0.523 17879 97 1 17 "Average Difference" N 106 3.580 -0.440 3.569 17879 98 1 17 "Average Difference" HA 118 0.377 -0.013 0.378 17879 99 1 17 "Average Difference" C 105 0.946 -0.182 0.933 17879 100 1 17 "Average Difference" CA 115 1.270 -0.249 1.251 17879 101 1 17 "Average Difference" CB 112 1.181 -0.108 1.182 17879 102 1 17 "Average Difference" HN 106 0.598 -0.191 0.569 17879 103 1 18 "Average Difference" N 106 3.536 -0.628 3.497 17879 104 1 18 "Average Difference" HA 118 0.326 -0.011 0.327 17879 105 1 18 "Average Difference" C 105 0.960 -0.154 0.952 17879 106 1 18 "Average Difference" CA 115 1.241 -0.229 1.225 17879 107 1 18 "Average Difference" CB 112 1.136 -0.070 1.139 17879 108 1 18 "Average Difference" HN 106 0.613 -0.187 0.586 17879 109 1 19 "Average Difference" N 106 3.800 -0.483 3.787 17879 110 1 19 "Average Difference" HA 118 0.335 -0.018 0.336 17879 111 1 19 "Average Difference" C 105 0.920 -0.100 0.919 17879 112 1 19 "Average Difference" CA 115 1.212 -0.220 1.197 17879 113 1 19 "Average Difference" CB 112 1.071 -0.106 1.070 17879 114 1 19 "Average Difference" HN 106 0.587 -0.183 0.560 17879 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 17879 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 MET N N 1 122.410 122.410 120.028 2.382 17879 2 1 . 1 1 2 2 MET HA H 1 4.455 4.455 4.736 -0.281 17879 3 1 . 1 1 2 2 MET C C 1 175.655 175.655 175.407 0.248 17879 4 1 . 1 1 2 2 MET CA C 1 55.438 55.438 55.149 0.289 17879 5 1 . 1 1 2 2 MET CB C 1 33.126 33.126 34.729 -1.603 17879 6 1 . 1 1 2 2 MET H H 1 8.425 8.425 8.344 0.081 17879 7 1 . 1 1 3 3 LYS N N 2 123.656 123.656 118.521 5.135 17879 8 1 . 1 1 3 3 LYS HA H 2 4.326 4.326 4.643 -0.317 17879 9 1 . 1 1 3 3 LYS C C 2 176.266 176.266 176.091 0.175 17879 10 1 . 1 1 3 3 LYS CA C 2 56.348 56.348 56.118 0.229 17879 11 1 . 1 1 3 3 LYS CB C 2 33.219 33.219 34.097 -0.878 17879 12 1 . 1 1 3 3 LYS H H 2 8.512 8.512 8.418 0.094 17879 13 1 . 1 1 4 4 SER N N 3 118.350 118.350 115.351 2.999 17879 14 1 . 1 1 4 4 SER HA H 3 4.631 4.631 4.598 0.033 17879 15 1 . 1 1 4 4 SER C C 3 175.421 175.421 174.313 1.108 17879 16 1 . 1 1 4 4 SER CA C 3 57.629 57.629 58.049 -0.419 17879 17 1 . 1 1 4 4 SER CB C 3 64.079 64.079 64.481 -0.402 17879 18 1 . 1 1 4 4 SER H H 3 8.426 8.426 8.010 0.416 17879 19 1 . 1 1 5 5 THR N N 4 127.775 127.775 113.596 14.179 17879 20 1 . 1 1 5 5 THR HA H 4 4.482 4.482 4.415 0.067 17879 21 1 . 1 1 5 5 THR C C 4 174.680 174.680 175.108 -0.428 17879 22 1 . 1 1 5 5 THR CA C 4 62.001 62.001 62.857 -0.856 17879 23 1 . 1 1 5 5 THR CB C 4 70.137 70.137 69.458 0.679 17879 24 1 . 1 1 5 5 THR H H 4 9.971 9.971 8.354 1.617 17879 25 1 . 1 1 6 6 PHE N N 5 123.021 123.021 122.128 0.893 17879 26 1 . 1 1 6 6 PHE HA H 5 4.125 4.125 4.278 -0.153 17879 27 1 . 1 1 6 6 PHE C C 5 177.064 177.064 175.783 1.281 17879 28 1 . 1 1 6 6 PHE CA C 5 63.041 63.041 60.545 2.496 17879 29 1 . 1 1 6 6 PHE CB C 5 40.828 40.828 39.098 1.730 17879 30 1 . 1 1 6 6 PHE H H 5 8.863 8.863 8.587 0.276 17879 31 1 . 1 1 7 7 LYS N N 6 114.006 114.006 116.636 -2.630 17879 32 1 . 1 1 7 7 LYS HA H 6 3.916 3.916 3.814 0.102 17879 33 1 . 1 1 7 7 LYS C C 6 177.535 177.535 176.620 0.915 17879 34 1 . 1 1 7 7 LYS CA C 6 60.026 60.026 57.227 2.799 17879 35 1 . 1 1 7 7 LYS CB C 6 33.611 33.611 32.489 1.122 17879 36 1 . 1 1 7 7 LYS H H 6 8.661 8.661 8.224 0.437 17879 37 1 . 1 1 8 8 SER N N 7 111.149 111.149 113.257 -2.108 17879 38 1 . 1 1 8 8 SER HA H 7 4.275 4.275 4.303 -0.028 17879 39 1 . 1 1 8 8 SER C C 7 175.689 175.689 175.379 0.310 17879 40 1 . 1 1 8 8 SER CA C 7 60.007 60.007 59.569 0.438 17879 41 1 . 1 1 8 8 SER CB C 7 63.759 63.759 63.043 0.716 17879 42 1 . 1 1 8 8 SER H H 7 7.552 7.552 7.776 -0.224 17879 43 1 . 1 1 9 9 GLU N N 8 122.296 122.296 120.530 1.766 17879 44 1 . 1 1 9 9 GLU HA H 8 3.818 3.818 4.140 -0.322 17879 45 1 . 1 1 9 9 GLU C C 8 176.068 176.068 176.048 0.020 17879 46 1 . 1 1 9 9 GLU CA C 8 58.137 58.137 57.708 0.429 17879 47 1 . 1 1 9 9 GLU CB C 8 30.965 30.965 30.297 0.668 17879 48 1 . 1 1 9 9 GLU H H 8 7.924 7.924 7.643 0.281 17879 49 1 . 1 1 10 10 TYR N N 9 115.131 115.131 114.686 0.445 17879 50 1 . 1 1 10 10 TYR HA H 9 5.066 5.066 4.920 0.146 17879 51 1 . 1 1 10 10 TYR CA C 9 53.958 53.958 53.804 0.154 17879 52 1 . 1 1 10 10 TYR CB C 9 41.055 41.055 37.706 3.349 17879 53 1 . 1 1 10 10 TYR H H 9 7.052 7.052 6.862 0.190 17879 54 1 . 1 1 11 11 PRO HA H 10 4.708 4.708 4.639 0.069 17879 55 1 . 1 1 11 11 PRO C C 10 177.384 177.384 177.278 0.106 17879 56 1 . 1 1 11 11 PRO CA C 10 62.279 62.279 61.981 0.297 17879 57 1 . 1 1 11 11 PRO CB C 10 33.087 33.087 32.800 0.287 17879 58 1 . 1 1 12 12 PHE N N 11 125.307 125.307 121.445 3.862 17879 59 1 . 1 1 12 12 PHE HA H 11 3.883 3.883 4.271 -0.388 17879 60 1 . 1 1 12 12 PHE C C 11 176.157 176.157 177.026 -0.869 17879 61 1 . 1 1 12 12 PHE CA C 11 63.156 63.156 61.927 1.229 17879 62 1 . 1 1 12 12 PHE CB C 11 39.935 39.935 39.275 0.660 17879 63 1 . 1 1 12 12 PHE H H 11 9.385 9.385 8.723 0.662 17879 64 1 . 1 1 13 13 GLU N N 12 115.356 115.356 118.077 -2.721 17879 65 1 . 1 1 13 13 GLU HA H 12 3.857 3.857 3.999 -0.142 17879 66 1 . 1 1 13 13 GLU C C 12 179.598 179.598 178.658 0.940 17879 67 1 . 1 1 13 13 GLU CA C 12 60.317 60.317 59.651 0.666 17879 68 1 . 1 1 13 13 GLU CB C 12 28.642 28.642 28.903 -0.261 17879 69 1 . 1 1 13 13 GLU H H 12 9.800 9.800 9.104 0.696 17879 70 1 . 1 1 14 14 LYS N N 13 118.194 118.194 118.970 -0.776 17879 71 1 . 1 1 14 14 LYS HA H 13 4.246 4.246 4.139 0.107 17879 72 1 . 1 1 14 14 LYS C C 13 178.804 178.804 178.476 0.328 17879 73 1 . 1 1 14 14 LYS CA C 13 58.143 58.143 58.408 -0.265 17879 74 1 . 1 1 14 14 LYS CB C 13 32.770 32.770 32.458 0.312 17879 75 1 . 1 1 14 14 LYS H H 13 7.160 7.160 7.643 -0.483 17879 76 1 . 1 1 15 15 ARG N N 14 120.949 120.949 119.438 1.511 17879 77 1 . 1 1 15 15 ARG HA H 14 3.892 3.892 4.080 -0.188 17879 78 1 . 1 1 15 15 ARG C C 14 176.858 176.858 178.362 -1.504 17879 79 1 . 1 1 15 15 ARG CA C 14 61.520 61.520 59.118 2.402 17879 80 1 . 1 1 15 15 ARG CB C 14 32.840 32.840 30.088 2.752 17879 81 1 . 1 1 15 15 ARG H H 14 7.686 7.686 8.074 -0.388 17879 82 1 . 1 1 16 16 LYS N N 15 119.224 119.224 119.830 -0.606 17879 83 1 . 1 1 16 16 LYS HA H 15 4.449 4.449 4.296 0.153 17879 84 1 . 1 1 16 16 LYS C C 15 177.796 177.796 178.293 -0.497 17879 85 1 . 1 1 16 16 LYS CA C 15 57.366 57.366 58.931 -1.565 17879 86 1 . 1 1 16 16 LYS CB C 15 32.529 32.529 31.786 0.743 17879 87 1 . 1 1 16 16 LYS H H 15 8.667 8.667 8.070 0.597 17879 88 1 . 1 1 17 17 ALA N N 16 117.777 117.777 120.962 -3.185 17879 89 1 . 1 1 17 17 ALA HA H 16 4.164 4.164 4.154 0.010 17879 90 1 . 1 1 17 17 ALA C C 16 180.641 180.641 179.390 1.251 17879 91 1 . 1 1 17 17 ALA CA C 16 54.627 54.627 54.531 0.096 17879 92 1 . 1 1 17 17 ALA CB C 16 18.114 18.114 18.111 0.003 17879 93 1 . 1 1 17 17 ALA H H 16 7.305 7.305 7.758 -0.453 17879 94 1 . 1 1 18 18 GLU N N 17 119.934 119.934 119.239 0.695 17879 95 1 . 1 1 18 18 GLU HA H 17 4.695 4.695 4.133 0.562 17879 96 1 . 1 1 18 18 GLU C C 17 178.339 178.339 178.691 -0.352 17879 97 1 . 1 1 18 18 GLU CA C 17 58.173 58.173 58.796 -0.622 17879 98 1 . 1 1 18 18 GLU CB C 17 28.765 28.765 29.502 -0.737 17879 99 1 . 1 1 18 18 GLU H H 17 7.849 7.849 8.041 -0.192 17879 100 1 . 1 1 19 19 SER N N 18 117.685 117.685 114.648 3.037 17879 101 1 . 1 1 19 19 SER HA H 18 3.542 3.542 4.049 -0.507 17879 102 1 . 1 1 19 19 SER C C 18 178.206 178.206 176.831 1.375 17879 103 1 . 1 1 19 19 SER CA C 18 62.108 62.108 60.898 1.210 17879 104 1 . 1 1 19 19 SER CB C 18 59.839 59.839 62.607 -2.769 17879 105 1 . 1 1 19 19 SER H H 18 8.785 8.785 8.372 0.413 17879 106 1 . 1 1 20 20 GLU N N 19 124.346 124.346 121.289 3.057 17879 107 1 . 1 1 20 20 GLU HA H 19 3.988 3.988 4.163 -0.175 17879 108 1 . 1 1 20 20 GLU C C 19 178.788 178.788 177.890 0.898 17879 109 1 . 1 1 20 20 GLU CA C 19 59.701 59.701 58.709 0.992 17879 110 1 . 1 1 20 20 GLU CB C 19 29.318 29.318 29.653 -0.335 17879 111 1 . 1 1 20 20 GLU H H 19 8.052 8.052 7.943 0.109 17879 112 1 . 1 1 21 21 ARG N N 20 122.089 122.089 117.580 4.509 17879 113 1 . 1 1 21 21 ARG HA H 20 4.093 4.093 4.334 -0.241 17879 114 1 . 1 1 21 21 ARG C C 20 179.458 179.458 178.435 1.023 17879 115 1 . 1 1 21 21 ARG CA C 20 59.500 59.500 57.833 1.668 17879 116 1 . 1 1 21 21 ARG CB C 20 30.412 30.412 30.769 -0.357 17879 117 1 . 1 1 21 21 ARG H H 20 7.958 7.958 7.710 0.248 17879 118 1 . 1 1 22 22 ILE N N 21 119.893 119.893 120.776 -0.883 17879 119 1 . 1 1 22 22 ILE HA H 21 3.623 3.623 3.745 -0.122 17879 120 1 . 1 1 22 22 ILE C C 21 176.842 176.842 177.160 -0.318 17879 121 1 . 1 1 22 22 ILE CA C 21 65.145 65.145 64.533 0.612 17879 122 1 . 1 1 22 22 ILE CB C 21 38.195 38.195 37.746 0.449 17879 123 1 . 1 1 22 22 ILE H H 21 8.277 8.277 8.355 -0.078 17879 124 1 . 1 1 23 23 ALA N N 22 121.816 121.816 120.953 0.863 17879 125 1 . 1 1 23 23 ALA HA H 22 4.071 4.071 4.114 -0.043 17879 126 1 . 1 1 23 23 ALA C C 22 179.199 179.199 177.740 1.459 17879 127 1 . 1 1 23 23 ALA CA C 22 54.519 54.519 54.138 0.381 17879 128 1 . 1 1 23 23 ALA CB C 22 18.001 18.001 18.547 -0.546 17879 129 1 . 1 1 23 23 ALA H H 22 7.962 7.962 7.809 0.153 17879 130 1 . 1 1 24 24 ASP N N 23 114.866 114.866 117.048 -2.182 17879 131 1 . 1 1 24 24 ASP HA H 23 4.401 4.401 4.553 -0.152 17879 132 1 . 1 1 24 24 ASP C C 23 177.324 177.324 177.714 -0.390 17879 133 1 . 1 1 24 24 ASP CA C 23 56.248 56.248 55.035 1.213 17879 134 1 . 1 1 24 24 ASP CB C 23 42.193 42.193 41.652 0.541 17879 135 1 . 1 1 24 24 ASP H H 23 7.368 7.368 7.793 -0.425 17879 136 1 . 1 1 25 25 ARG N N 24 116.868 116.868 118.686 -1.818 17879 137 1 . 1 1 25 25 ARG HA H 24 3.922 3.922 3.979 -0.057 17879 138 1 . 1 1 25 25 ARG C C 24 176.266 176.266 176.376 -0.110 17879 139 1 . 1 1 25 25 ARG CA C 24 57.158 57.158 57.316 -0.158 17879 140 1 . 1 1 25 25 ARG CB C 24 31.477 31.477 31.340 0.137 17879 141 1 . 1 1 25 25 ARG H H 24 7.815 7.815 7.690 0.125 17879 142 1 . 1 1 26 26 PHE N N 25 116.737 116.737 116.278 0.459 17879 143 1 . 1 1 26 26 PHE HA H 25 5.084 5.084 4.955 0.129 17879 144 1 . 1 1 26 26 PHE CA C 25 54.304 54.304 54.737 -0.433 17879 145 1 . 1 1 26 26 PHE CB C 25 39.026 39.026 39.071 -0.045 17879 146 1 . 1 1 26 26 PHE H H 25 8.658 8.658 7.848 0.810 17879 147 1 . 1 1 27 27 PRO HA H 26 4.503 4.503 4.379 0.124 17879 148 1 . 1 1 27 27 PRO C C 26 177.538 177.538 176.745 0.793 17879 149 1 . 1 1 27 27 PRO CA C 26 64.394 64.394 64.229 0.165 17879 150 1 . 1 1 27 27 PRO CB C 26 31.961 31.961 32.055 -0.094 17879 151 1 . 1 1 28 28 ASN N N 27 114.596 114.596 116.782 -2.186 17879 152 1 . 1 1 28 28 ASN HA H 27 4.725 4.725 4.786 -0.061 17879 153 1 . 1 1 28 28 ASN C C 27 174.678 174.678 174.296 0.382 17879 154 1 . 1 1 28 28 ASN CA C 27 52.868 52.868 52.563 0.305 17879 155 1 . 1 1 28 28 ASN CB C 27 38.331 38.331 38.029 0.302 17879 156 1 . 1 1 28 28 ASN H H 27 8.537 8.537 8.671 -0.134 17879 157 1 . 1 1 29 29 ARG N N 28 116.946 116.946 119.406 -2.460 17879 158 1 . 1 1 29 29 ARG HA H 28 4.769 4.769 4.596 0.173 17879 159 1 . 1 1 29 29 ARG C C 28 174.469 174.469 174.532 -0.063 17879 160 1 . 1 1 29 29 ARG CA C 28 52.948 52.948 54.353 -1.406 17879 161 1 . 1 1 29 29 ARG CB C 28 32.941 32.941 33.445 -0.504 17879 162 1 . 1 1 29 29 ARG H H 28 7.580 7.580 7.321 0.259 17879 163 1 . 1 1 30 30 ILE N N 29 121.854 121.854 120.572 1.282 17879 164 1 . 1 1 30 30 ILE HA H 29 4.098 4.098 3.988 0.110 17879 165 1 . 1 1 30 30 ILE CA C 29 55.558 55.558 57.121 -1.563 17879 166 1 . 1 1 30 30 ILE CB C 29 38.805 38.805 39.710 -0.905 17879 167 1 . 1 1 30 30 ILE H H 29 9.262 9.262 8.651 0.611 17879 168 1 . 1 1 31 31 PRO HA H 30 4.856 4.856 4.623 0.233 17879 169 1 . 1 1 31 31 PRO C C 30 174.121 174.121 176.155 -2.034 17879 170 1 . 1 1 31 31 PRO CA C 30 61.705 61.705 62.258 -0.553 17879 171 1 . 1 1 31 31 PRO CB C 30 30.966 30.966 31.255 -0.289 17879 172 1 . 1 1 32 32 VAL N N 31 127.197 127.197 120.282 6.915 17879 173 1 . 1 1 32 32 VAL HA H 31 4.997 4.997 4.820 0.177 17879 174 1 . 1 1 32 32 VAL C C 31 174.181 174.181 173.714 0.467 17879 175 1 . 1 1 32 32 VAL CA C 31 60.620 60.620 59.501 1.119 17879 176 1 . 1 1 32 32 VAL CB C 31 35.645 35.645 35.991 -0.346 17879 177 1 . 1 1 32 32 VAL H H 31 9.096 9.096 9.033 0.063 17879 178 1 . 1 1 33 33 ILE N N 32 127.157 127.157 122.004 5.153 17879 179 1 . 1 1 33 33 ILE HA H 32 4.917 4.917 4.592 0.325 17879 180 1 . 1 1 33 33 ILE C C 32 174.991 174.991 175.224 -0.233 17879 181 1 . 1 1 33 33 ILE CA C 32 56.589 56.589 59.239 -2.650 17879 182 1 . 1 1 33 33 ILE CB C 32 35.908 35.908 38.409 -2.501 17879 183 1 . 1 1 33 33 ILE H H 32 8.775 8.775 8.256 0.519 17879 184 1 . 1 1 34 34 CYS N N 33 129.280 129.280 127.817 1.463 17879 185 1 . 1 1 34 34 CYS HA H 33 5.559 5.559 4.591 0.968 17879 186 1 . 1 1 34 34 CYS C C 33 173.218 173.218 173.720 -0.502 17879 187 1 . 1 1 34 34 CYS CA C 33 57.121 57.121 59.212 -2.091 17879 188 1 . 1 1 34 34 CYS CB C 33 28.880 28.880 28.732 0.148 17879 189 1 . 1 1 34 34 CYS H H 33 9.738 9.738 9.249 0.489 17879 190 1 . 1 1 35 35 GLU N N 34 124.130 124.130 125.824 -1.694 17879 191 1 . 1 1 35 35 GLU HA H 34 4.977 4.977 4.721 0.256 17879 192 1 . 1 1 35 35 GLU C C 34 174.190 174.190 174.040 0.150 17879 193 1 . 1 1 35 35 GLU CA C 34 54.308 54.308 54.903 -0.595 17879 194 1 . 1 1 35 35 GLU CB C 34 35.281 35.281 33.726 1.555 17879 195 1 . 1 1 35 35 GLU H H 34 8.531 8.531 8.376 0.155 17879 196 1 . 1 1 36 36 LYS N N 35 123.562 123.562 123.149 0.413 17879 197 1 . 1 1 36 36 LYS HA H 35 3.056 3.056 4.098 -1.042 17879 198 1 . 1 1 36 36 LYS C C 35 177.452 177.452 176.021 1.431 17879 199 1 . 1 1 36 36 LYS CA C 35 56.374 56.374 54.086 2.288 17879 200 1 . 1 1 36 36 LYS CB C 35 32.750 32.750 33.365 -0.615 17879 201 1 . 1 1 36 36 LYS H H 35 8.949 8.949 8.542 0.407 17879 202 1 . 1 1 37 37 ALA N N 36 129.494 129.494 129.483 0.011 17879 203 1 . 1 1 37 37 ALA HA H 36 4.163 4.163 4.164 -0.001 17879 204 1 . 1 1 37 37 ALA C C 36 178.375 178.375 177.481 0.894 17879 205 1 . 1 1 37 37 ALA CA C 36 52.702 52.702 52.696 0.006 17879 206 1 . 1 1 37 37 ALA CB C 36 18.673 18.673 19.483 -0.810 17879 207 1 . 1 1 37 37 ALA H H 36 8.561 8.561 7.825 0.736 17879 208 1 . 1 1 38 38 GLU N N 37 125.115 125.115 121.049 4.066 17879 209 1 . 1 1 38 38 GLU HA H 37 3.959 3.959 4.063 -0.104 17879 210 1 . 1 1 38 38 GLU C C 37 177.516 177.516 177.589 -0.073 17879 211 1 . 1 1 38 38 GLU CA C 37 59.302 59.302 58.086 1.216 17879 212 1 . 1 1 38 38 GLU CB C 37 30.154 30.154 29.640 0.514 17879 213 1 . 1 1 38 38 GLU H H 37 8.648 8.648 8.582 0.066 17879 214 1 . 1 1 39 39 LYS N N 38 115.020 115.020 119.778 -4.758 17879 215 1 . 1 1 39 39 LYS HA H 38 4.188 4.188 4.057 0.131 17879 216 1 . 1 1 39 39 LYS C C 38 176.244 176.244 177.347 -1.103 17879 217 1 . 1 1 39 39 LYS CA C 38 56.564 56.564 57.700 -1.136 17879 218 1 . 1 1 39 39 LYS CB C 38 31.484 31.484 31.998 -0.514 17879 219 1 . 1 1 39 39 LYS H H 38 8.494 8.494 8.137 0.357 17879 220 1 . 1 1 40 40 SER N N 39 113.091 113.091 113.562 -0.471 17879 221 1 . 1 1 40 40 SER HA H 39 4.535 4.535 4.377 0.158 17879 222 1 . 1 1 40 40 SER C C 39 174.896 174.896 174.374 0.522 17879 223 1 . 1 1 40 40 SER CA C 39 57.985 57.985 58.852 -0.867 17879 224 1 . 1 1 40 40 SER CB C 39 65.000 65.000 63.781 1.219 17879 225 1 . 1 1 40 40 SER H H 39 7.346 7.346 7.860 -0.514 17879 226 1 . 1 1 41 41 ASP N N 40 127.375 127.375 120.955 6.420 17879 227 1 . 1 1 41 41 ASP HA H 40 4.782 4.782 4.825 -0.043 17879 228 1 . 1 1 41 41 ASP C C 40 175.205 175.205 176.087 -0.882 17879 229 1 . 1 1 41 41 ASP CA C 40 53.549 53.549 53.677 -0.128 17879 230 1 . 1 1 41 41 ASP CB C 40 39.916 39.916 41.467 -1.551 17879 231 1 . 1 1 41 41 ASP H H 40 8.744 8.744 8.541 0.203 17879 232 1 . 1 1 42 42 ILE N N 41 122.943 122.943 118.741 4.202 17879 233 1 . 1 1 42 42 ILE HA H 41 4.661 4.661 4.587 0.074 17879 234 1 . 1 1 42 42 ILE CA C 41 59.133 59.133 58.589 0.544 17879 235 1 . 1 1 42 42 ILE CB C 41 40.534 40.534 38.629 1.905 17879 236 1 . 1 1 42 42 ILE H H 41 7.649 7.649 7.584 0.065 17879 237 1 . 1 1 43 43 PRO HA H 42 4.414 4.414 4.549 -0.135 17879 238 1 . 1 1 43 43 PRO C C 42 175.952 175.952 176.316 -0.364 17879 239 1 . 1 1 43 43 PRO CA C 42 63.829 63.829 62.531 1.298 17879 240 1 . 1 1 43 43 PRO CB C 42 32.895 32.895 32.137 0.758 17879 241 1 . 1 1 44 44 GLU N N 43 120.369 120.369 123.455 -3.086 17879 242 1 . 1 1 44 44 GLU HA H 43 4.298 4.298 4.193 0.105 17879 243 1 . 1 1 44 44 GLU C C 43 175.316 175.316 176.587 -1.271 17879 244 1 . 1 1 44 44 GLU CA C 43 56.400 56.400 56.766 -0.366 17879 245 1 . 1 1 44 44 GLU CB C 43 31.282 31.282 30.589 0.693 17879 246 1 . 1 1 44 44 GLU H H 43 8.393 8.393 8.470 -0.077 17879 247 1 . 1 1 45 45 ILE N N 44 123.670 123.670 123.653 0.017 17879 248 1 . 1 1 45 45 ILE HA H 44 4.419 4.419 4.213 0.206 17879 249 1 . 1 1 45 45 ILE C C 44 174.786 174.786 176.327 -1.541 17879 250 1 . 1 1 45 45 ILE CA C 44 61.027 61.027 61.100 -0.073 17879 251 1 . 1 1 45 45 ILE CB C 44 40.509 40.509 39.578 0.931 17879 252 1 . 1 1 45 45 ILE H H 44 8.067 8.067 8.242 -0.175 17879 253 1 . 1 1 46 46 ASP N N 45 123.340 123.340 122.470 0.870 17879 254 1 . 1 1 46 46 ASP HA H 45 4.412 4.412 4.508 -0.096 17879 255 1 . 1 1 46 46 ASP C C 45 175.494 175.494 175.688 -0.194 17879 256 1 . 1 1 46 46 ASP CA C 45 55.467 55.467 56.660 -1.193 17879 257 1 . 1 1 46 46 ASP CB C 45 40.320 40.320 41.235 -0.915 17879 258 1 . 1 1 46 46 ASP H H 45 8.468 8.468 8.834 -0.366 17879 259 1 . 1 1 47 47 LYS N N 46 121.295 121.295 114.600 6.695 17879 260 1 . 1 1 47 47 LYS HA H 46 4.428 4.428 4.794 -0.366 17879 261 1 . 1 1 47 47 LYS CA C 46 56.020 56.020 54.376 1.644 17879 262 1 . 1 1 47 47 LYS CB C 46 34.644 34.644 35.216 -0.572 17879 263 1 . 1 1 47 47 LYS H H 46 7.319 7.319 7.614 -0.295 17879 264 1 . 1 1 48 48 ARG N N 47 124.949 124.949 120.140 4.809 17879 265 1 . 1 1 48 48 ARG HA H 47 5.271 5.271 4.890 0.381 17879 266 1 . 1 1 48 48 ARG C C 47 173.546 173.546 175.006 -1.460 17879 267 1 . 1 1 48 48 ARG CA C 47 55.581 55.581 55.428 0.154 17879 268 1 . 1 1 48 48 ARG CB C 47 32.992 32.992 30.574 2.418 17879 269 1 . 1 1 48 48 ARG H H 47 8.558 8.558 8.411 0.147 17879 270 1 . 1 1 49 49 LYS N N 48 122.812 122.812 123.789 -0.977 17879 271 1 . 1 1 49 49 LYS HA H 48 5.030 5.030 4.244 0.786 17879 272 1 . 1 1 49 49 LYS C C 48 174.301 174.301 174.168 0.133 17879 273 1 . 1 1 49 49 LYS CA C 48 55.042 55.042 56.017 -0.975 17879 274 1 . 1 1 49 49 LYS CB C 48 34.065 34.065 33.905 0.160 17879 275 1 . 1 1 49 49 LYS H H 48 7.440 7.440 8.210 -0.770 17879 276 1 . 1 1 50 50 TYR N N 49 124.842 124.842 124.706 0.136 17879 277 1 . 1 1 50 50 TYR HA H 49 4.721 4.721 4.641 0.080 17879 278 1 . 1 1 50 50 TYR C C 49 173.674 173.674 174.056 -0.382 17879 279 1 . 1 1 50 50 TYR CA C 49 57.192 57.192 57.246 -0.054 17879 280 1 . 1 1 50 50 TYR CB C 49 43.123 43.123 42.278 0.845 17879 281 1 . 1 1 50 50 TYR H H 49 9.590 9.590 9.127 0.463 17879 282 1 . 1 1 51 51 LEU N N 50 124.138 124.138 126.612 -2.474 17879 283 1 . 1 1 51 51 LEU HA H 50 4.753 4.753 4.742 0.011 17879 284 1 . 1 1 51 51 LEU C C 50 176.050 176.050 175.671 0.379 17879 285 1 . 1 1 51 51 LEU CA C 50 53.158 53.158 53.547 -0.389 17879 286 1 . 1 1 51 51 LEU CB C 50 41.155 41.155 41.863 -0.708 17879 287 1 . 1 1 51 51 LEU H H 50 8.901 8.901 8.684 0.217 17879 288 1 . 1 1 52 52 VAL N N 51 123.181 123.181 120.005 3.176 17879 289 1 . 1 1 52 52 VAL HA H 51 3.948 3.948 4.552 -0.604 17879 290 1 . 1 1 52 52 VAL CA C 51 59.724 59.724 59.204 0.520 17879 291 1 . 1 1 52 52 VAL CB C 51 33.605 33.605 32.166 1.439 17879 292 1 . 1 1 52 52 VAL H H 51 8.513 8.513 7.907 0.606 17879 293 1 . 1 1 53 53 PRO HA H 52 4.305 4.305 4.362 -0.057 17879 294 1 . 1 1 53 53 PRO C C 52 176.607 176.607 176.012 0.595 17879 295 1 . 1 1 53 53 PRO CA C 52 63.950 63.950 61.983 1.967 17879 296 1 . 1 1 53 53 PRO CB C 52 32.163 32.163 32.457 -0.294 17879 297 1 . 1 1 54 54 ALA N N 53 123.771 123.771 119.944 3.827 17879 298 1 . 1 1 54 54 ALA HA H 53 3.720 3.720 4.183 -0.463 17879 299 1 . 1 1 54 54 ALA C C 53 176.409 176.409 176.817 -0.408 17879 300 1 . 1 1 54 54 ALA CA C 53 54.742 54.742 52.650 2.092 17879 301 1 . 1 1 54 54 ALA CB C 53 18.948 18.948 19.278 -0.330 17879 302 1 . 1 1 54 54 ALA H H 53 7.926 7.926 8.353 -0.427 17879 303 1 . 1 1 55 55 ASP N N 54 111.152 111.152 117.832 -6.680 17879 304 1 . 1 1 55 55 ASP HA H 54 4.621 4.621 4.627 -0.006 17879 305 1 . 1 1 55 55 ASP C C 54 175.823 175.823 176.098 -0.275 17879 306 1 . 1 1 55 55 ASP CA C 54 52.744 52.744 54.456 -1.712 17879 307 1 . 1 1 55 55 ASP CB C 54 39.861 39.861 41.465 -1.604 17879 308 1 . 1 1 55 55 ASP H H 54 8.106 8.106 8.045 0.061 17879 309 1 . 1 1 56 56 LEU N N 55 121.263 121.263 121.928 -0.665 17879 310 1 . 1 1 56 56 LEU HA H 55 4.351 4.351 4.331 0.020 17879 311 1 . 1 1 56 56 LEU C C 55 177.459 177.459 176.652 0.807 17879 312 1 . 1 1 56 56 LEU CA C 55 55.472 55.472 55.562 -0.090 17879 313 1 . 1 1 56 56 LEU CB C 55 43.593 43.593 43.015 0.578 17879 314 1 . 1 1 56 56 LEU H H 55 7.295 7.295 7.801 -0.506 17879 315 1 . 1 1 57 57 THR N N 56 114.222 114.222 115.737 -1.515 17879 316 1 . 1 1 57 57 THR HA H 56 5.233 5.233 4.562 0.671 17879 317 1 . 1 1 57 57 THR C C 56 176.538 176.538 175.598 0.940 17879 318 1 . 1 1 57 57 THR CA C 56 60.318 60.318 60.792 -0.474 17879 319 1 . 1 1 57 57 THR CB C 56 71.303 71.303 70.738 0.565 17879 320 1 . 1 1 57 57 THR H H 56 8.476 8.476 8.131 0.345 17879 321 1 . 1 1 58 58 VAL N N 57 122.331 122.331 120.291 2.040 17879 322 1 . 1 1 58 58 VAL HA H 57 3.738 3.738 3.990 -0.252 17879 323 1 . 1 1 58 58 VAL C C 57 178.743 178.743 177.841 0.902 17879 324 1 . 1 1 58 58 VAL CA C 57 66.797 66.797 66.000 0.797 17879 325 1 . 1 1 58 58 VAL CB C 57 31.801 31.801 31.914 -0.113 17879 326 1 . 1 1 58 58 VAL H H 57 8.806 8.806 8.067 0.739 17879 327 1 . 1 1 59 59 GLY N N 58 105.470 105.470 105.215 0.255 17879 328 1 . 1 1 59 59 GLY C C 58 176.924 176.924 175.742 1.182 17879 329 1 . 1 1 59 59 GLY CA C 58 47.317 47.317 46.735 0.582 17879 330 1 . 1 1 59 59 GLY H H 58 9.381 9.381 7.865 1.516 17879 331 1 . 1 1 60 60 GLN N N 59 121.492 121.492 118.858 2.634 17879 332 1 . 1 1 60 60 GLN HA H 59 4.166 4.166 4.397 -0.231 17879 333 1 . 1 1 60 60 GLN C C 59 178.605 178.605 177.657 0.948 17879 334 1 . 1 1 60 60 GLN CA C 59 58.764 58.764 57.400 1.364 17879 335 1 . 1 1 60 60 GLN CB C 59 29.129 29.129 29.271 -0.142 17879 336 1 . 1 1 60 60 GLN H H 59 8.027 8.027 7.717 0.310 17879 337 1 . 1 1 61 61 PHE N N 60 122.595 122.595 121.705 0.890 17879 338 1 . 1 1 61 61 PHE HA H 60 4.291 4.291 4.320 -0.029 17879 339 1 . 1 1 61 61 PHE C C 60 176.690 176.690 176.941 -0.251 17879 340 1 . 1 1 61 61 PHE CA C 60 61.502 61.502 60.172 1.330 17879 341 1 . 1 1 61 61 PHE CB C 60 39.155 39.155 39.364 -0.209 17879 342 1 . 1 1 61 61 PHE H H 60 8.522 8.522 7.845 0.677 17879 343 1 . 1 1 62 62 VAL N N 61 118.720 118.720 119.176 -0.456 17879 344 1 . 1 1 62 62 VAL HA H 61 3.070 3.070 3.216 -0.146 17879 345 1 . 1 1 62 62 VAL C C 61 176.872 176.872 177.163 -0.291 17879 346 1 . 1 1 62 62 VAL CA C 61 67.040 67.040 66.660 0.380 17879 347 1 . 1 1 62 62 VAL CB C 61 31.119 31.119 31.311 -0.192 17879 348 1 . 1 1 62 62 VAL H H 61 8.705 8.705 8.149 0.556 17879 349 1 . 1 1 63 63 TYR N N 62 118.462 118.462 119.001 -0.539 17879 350 1 . 1 1 63 63 TYR HA H 62 3.987 3.987 4.065 -0.078 17879 351 1 . 1 1 63 63 TYR C C 62 177.325 177.325 176.305 1.020 17879 352 1 . 1 1 63 63 TYR CA C 62 61.685 61.685 60.648 1.037 17879 353 1 . 1 1 63 63 TYR CB C 62 37.906 37.906 37.740 0.166 17879 354 1 . 1 1 63 63 TYR H H 62 7.373 7.373 7.928 -0.555 17879 355 1 . 1 1 64 64 VAL N N 63 119.137 119.137 117.337 1.800 17879 356 1 . 1 1 64 64 VAL HA H 63 3.342 3.342 3.045 0.297 17879 357 1 . 1 1 64 64 VAL C C 63 178.326 178.326 177.686 0.640 17879 358 1 . 1 1 64 64 VAL CA C 63 66.615 66.615 65.046 1.569 17879 359 1 . 1 1 64 64 VAL CB C 63 31.157 31.157 31.591 -0.434 17879 360 1 . 1 1 64 64 VAL H H 63 7.376 7.376 7.527 -0.151 17879 361 1 . 1 1 65 65 ILE N N 64 118.858 118.858 119.479 -0.621 17879 362 1 . 1 1 65 65 ILE HA H 64 3.279 3.279 3.610 -0.331 17879 363 1 . 1 1 65 65 ILE C C 64 177.653 177.653 178.197 -0.544 17879 364 1 . 1 1 65 65 ILE CA C 64 63.682 63.682 61.706 1.976 17879 365 1 . 1 1 65 65 ILE CB C 64 36.150 36.150 35.798 0.352 17879 366 1 . 1 1 65 65 ILE H H 64 7.366 7.366 7.411 -0.045 17879 367 1 . 1 1 66 66 ARG N N 65 118.729 118.729 118.756 -0.027 17879 368 1 . 1 1 66 66 ARG HA H 65 3.397 3.397 3.983 -0.586 17879 369 1 . 1 1 66 66 ARG C C 65 178.284 178.284 177.774 0.510 17879 370 1 . 1 1 66 66 ARG CA C 65 60.078 60.078 57.973 2.105 17879 371 1 . 1 1 66 66 ARG CB C 65 30.022 30.022 29.881 0.140 17879 372 1 . 1 1 66 66 ARG H H 65 8.463 8.463 8.301 0.162 17879 373 1 . 1 1 67 67 LYS N N 66 116.643 116.643 118.846 -2.203 17879 374 1 . 1 1 67 67 LYS HA H 66 3.951 3.951 4.122 -0.171 17879 375 1 . 1 1 67 67 LYS C C 66 178.989 178.989 178.533 0.456 17879 376 1 . 1 1 67 67 LYS CA C 66 58.347 58.347 58.504 -0.157 17879 377 1 . 1 1 67 67 LYS CB C 66 31.938 31.938 32.269 -0.331 17879 378 1 . 1 1 67 67 LYS H H 66 7.536 7.536 7.701 -0.165 17879 379 1 . 1 1 68 68 ARG N N 67 119.051 119.051 119.182 -0.131 17879 380 1 . 1 1 68 68 ARG HA H 67 4.104 4.104 4.064 0.040 17879 381 1 . 1 1 68 68 ARG C C 67 178.122 178.122 178.323 -0.201 17879 382 1 . 1 1 68 68 ARG CA C 67 58.182 58.182 58.667 -0.485 17879 383 1 . 1 1 68 68 ARG CB C 67 30.273 30.273 30.409 -0.136 17879 384 1 . 1 1 68 68 ARG H H 67 7.783 7.783 7.733 0.050 17879 385 1 . 1 1 69 69 ILE N N 68 112.456 112.456 112.512 -0.056 17879 386 1 . 1 1 69 69 ILE HA H 68 4.223 4.223 4.168 0.055 17879 387 1 . 1 1 69 69 ILE C C 68 174.568 174.568 175.300 -0.732 17879 388 1 . 1 1 69 69 ILE CA C 68 61.502 61.502 60.987 0.515 17879 389 1 . 1 1 69 69 ILE CB C 68 38.643 38.643 38.099 0.544 17879 390 1 . 1 1 69 69 ILE H H 68 7.675 7.675 7.228 0.447 17879 391 1 . 1 1 70 70 MET N N 69 118.509 118.509 113.618 4.891 17879 392 1 . 1 1 70 70 MET HA H 69 3.982 3.982 4.103 -0.121 17879 393 1 . 1 1 70 70 MET C C 69 175.482 175.482 175.002 0.480 17879 394 1 . 1 1 70 70 MET CA C 69 55.811 55.811 55.924 -0.113 17879 395 1 . 1 1 70 70 MET CB C 69 29.392 29.392 30.075 -0.683 17879 396 1 . 1 1 70 70 MET H H 69 7.805 7.805 7.444 0.361 17879 397 1 . 1 1 71 71 LEU N N 70 121.952 121.952 121.341 0.611 17879 398 1 . 1 1 71 71 LEU HA H 70 4.603 4.603 4.317 0.286 17879 399 1 . 1 1 71 71 LEU CA C 70 52.560 52.560 54.193 -1.633 17879 400 1 . 1 1 71 71 LEU CB C 70 44.045 44.045 41.916 2.128 17879 401 1 . 1 1 71 71 LEU H H 70 7.493 7.493 7.631 -0.138 17879 402 1 . 1 1 72 72 PRO HA H 71 4.678 4.678 4.807 -0.129 17879 403 1 . 1 1 72 72 PRO CA C 71 62.124 62.124 61.122 1.002 17879 404 1 . 1 1 72 72 PRO CB C 71 31.307 31.307 31.117 0.190 17879 405 1 . 1 1 73 73 PRO HA H 72 4.123 4.123 4.385 -0.262 17879 406 1 . 1 1 73 73 PRO C C 72 177.052 177.052 176.649 0.403 17879 407 1 . 1 1 73 73 PRO CA C 72 64.924 64.924 64.279 0.645 17879 408 1 . 1 1 73 73 PRO CB C 72 32.049 32.049 32.064 -0.015 17879 409 1 . 1 1 74 74 GLU N N 73 115.091 115.091 116.257 -1.166 17879 410 1 . 1 1 74 74 GLU HA H 73 4.181 4.181 4.327 -0.146 17879 411 1 . 1 1 74 74 GLU C C 73 176.459 176.459 176.609 -0.150 17879 412 1 . 1 1 74 74 GLU CA C 73 57.774 57.774 56.408 1.366 17879 413 1 . 1 1 74 74 GLU CB C 73 28.321 28.321 29.144 -0.823 17879 414 1 . 1 1 74 74 GLU H H 73 9.065 9.065 8.595 0.470 17879 415 1 . 1 1 75 75 LYS N N 74 121.755 121.755 119.580 2.175 17879 416 1 . 1 1 75 75 LYS HA H 74 4.520 4.520 4.549 -0.029 17879 417 1 . 1 1 75 75 LYS C C 74 174.789 174.789 174.583 0.206 17879 418 1 . 1 1 75 75 LYS CA C 74 54.789 54.789 54.979 -0.190 17879 419 1 . 1 1 75 75 LYS CB C 74 32.882 32.882 35.503 -2.621 17879 420 1 . 1 1 75 75 LYS H H 74 7.797 7.797 7.492 0.305 17879 421 1 . 1 1 76 76 ALA N N 75 127.848 127.848 121.311 6.537 17879 422 1 . 1 1 76 76 ALA HA H 75 4.072 4.072 4.599 -0.527 17879 423 1 . 1 1 76 76 ALA C C 75 175.710 175.710 175.112 0.598 17879 424 1 . 1 1 76 76 ALA CA C 75 52.226 52.226 51.124 1.102 17879 425 1 . 1 1 76 76 ALA CB C 75 20.956 20.956 21.667 -0.711 17879 426 1 . 1 1 76 76 ALA H H 75 8.410 8.410 8.372 0.038 17879 427 1 . 1 1 77 77 ILE N N 76 114.298 114.298 120.290 -5.992 17879 428 1 . 1 1 77 77 ILE HA H 76 4.593 4.593 4.824 -0.231 17879 429 1 . 1 1 77 77 ILE C C 76 172.379 172.379 173.694 -1.315 17879 430 1 . 1 1 77 77 ILE CA C 76 59.699 59.699 60.988 -1.289 17879 431 1 . 1 1 77 77 ILE CB C 76 41.218 41.218 40.896 0.322 17879 432 1 . 1 1 77 77 ILE H H 76 7.193 7.193 7.864 -0.671 17879 433 1 . 1 1 78 78 PHE N N 77 124.094 124.094 126.275 -2.181 17879 434 1 . 1 1 78 78 PHE HA H 77 4.556 4.556 4.878 -0.322 17879 435 1 . 1 1 78 78 PHE C C 77 174.359 174.359 174.729 -0.370 17879 436 1 . 1 1 78 78 PHE CA C 77 56.596 56.596 56.320 0.276 17879 437 1 . 1 1 78 78 PHE CB C 77 42.370 42.370 42.357 0.013 17879 438 1 . 1 1 78 78 PHE H H 77 8.931 8.931 9.222 -0.291 17879 439 1 . 1 1 79 79 ILE N N 78 117.724 117.724 121.569 -3.845 17879 440 1 . 1 1 79 79 ILE HA H 78 5.233 5.233 4.741 0.492 17879 441 1 . 1 1 79 79 ILE C C 78 173.334 173.334 175.023 -1.689 17879 442 1 . 1 1 79 79 ILE CA C 78 58.130 58.130 60.647 -2.517 17879 443 1 . 1 1 79 79 ILE CB C 78 39.360 39.360 38.319 1.041 17879 444 1 . 1 1 79 79 ILE H H 78 8.025 8.025 8.807 -0.782 17879 445 1 . 1 1 80 80 PHE N N 79 121.084 121.084 125.227 -4.143 17879 446 1 . 1 1 80 80 PHE HA H 79 5.365 5.365 5.000 0.365 17879 447 1 . 1 1 80 80 PHE C C 79 176.270 176.270 174.338 1.932 17879 448 1 . 1 1 80 80 PHE CA C 79 55.948 55.948 56.892 -0.943 17879 449 1 . 1 1 80 80 PHE CB C 79 42.763 42.763 42.479 0.284 17879 450 1 . 1 1 80 80 PHE H H 79 9.210 9.210 9.025 0.185 17879 451 1 . 1 1 81 81 VAL N N 80 117.974 117.974 123.173 -5.199 17879 452 1 . 1 1 81 81 VAL HA H 80 4.520 4.520 4.498 0.022 17879 453 1 . 1 1 81 81 VAL C C 80 175.699 175.699 175.359 0.340 17879 454 1 . 1 1 81 81 VAL CA C 80 60.484 60.484 61.365 -0.881 17879 455 1 . 1 1 81 81 VAL CB C 80 34.263 34.263 33.022 1.241 17879 456 1 . 1 1 81 81 VAL H H 80 8.832 8.832 8.818 0.014 17879 457 1 . 1 1 82 82 ASN N N 81 127.615 127.615 125.646 1.969 17879 458 1 . 1 1 82 82 ASN HA H 81 4.339 4.339 4.406 -0.067 17879 459 1 . 1 1 82 82 ASN C C 81 174.036 174.036 174.449 -0.413 17879 460 1 . 1 1 82 82 ASN CA C 81 55.231 55.231 54.348 0.883 17879 461 1 . 1 1 82 82 ASN CB C 81 37.408 37.408 37.366 0.042 17879 462 1 . 1 1 82 82 ASN H H 81 9.689 9.689 9.244 0.445 17879 463 1 . 1 1 83 83 ASP N N 82 112.699 112.699 112.136 0.563 17879 464 1 . 1 1 83 83 ASP HA H 82 4.135 4.135 4.296 -0.161 17879 465 1 . 1 1 83 83 ASP C C 82 174.560 174.560 174.875 -0.315 17879 466 1 . 1 1 83 83 ASP CA C 82 55.638 55.638 55.434 0.204 17879 467 1 . 1 1 83 83 ASP CB C 82 39.564 39.564 39.616 -0.052 17879 468 1 . 1 1 83 83 ASP H H 82 8.772 8.772 8.540 0.232 17879 469 1 . 1 1 84 84 THR N N 83 112.567 112.567 114.483 -1.916 17879 470 1 . 1 1 84 84 THR HA H 83 4.715 4.715 4.624 0.091 17879 471 1 . 1 1 84 84 THR C C 83 172.200 172.200 173.132 -0.932 17879 472 1 . 1 1 84 84 THR CA C 83 60.868 60.868 61.361 -0.493 17879 473 1 . 1 1 84 84 THR CB C 83 72.206 72.206 71.097 1.109 17879 474 1 . 1 1 84 84 THR H H 83 8.080 8.080 7.487 0.593 17879 475 1 . 1 1 85 85 LEU N N 84 125.810 125.810 129.658 -3.848 17879 476 1 . 1 1 85 85 LEU HA H 84 5.127 5.127 4.811 0.316 17879 477 1 . 1 1 85 85 LEU CA C 84 51.927 51.927 52.126 -0.199 17879 478 1 . 1 1 85 85 LEU CB C 84 42.779 42.779 42.783 -0.004 17879 479 1 . 1 1 85 85 LEU H H 84 8.520 8.520 8.625 -0.105 17879 480 1 . 1 1 86 86 PRO HA H 85 4.835 4.835 4.753 0.082 17879 481 1 . 1 1 86 86 PRO CA C 85 60.910 60.910 61.221 -0.311 17879 482 1 . 1 1 86 86 PRO CB C 85 30.852 30.852 31.167 -0.315 17879 483 1 . 1 1 87 87 PRO HA H 86 4.577 4.577 4.546 0.031 17879 484 1 . 1 1 87 87 PRO C C 86 177.830 177.830 176.858 0.972 17879 485 1 . 1 1 87 87 PRO CA C 86 62.424 62.424 62.490 -0.066 17879 486 1 . 1 1 87 87 PRO CB C 86 31.910 31.910 32.190 -0.280 17879 487 1 . 1 1 88 88 THR N N 87 114.642 114.642 108.585 6.057 17879 488 1 . 1 1 88 88 THR HA H 87 3.802 3.802 4.310 -0.508 17879 489 1 . 1 1 88 88 THR C C 87 175.702 175.702 175.793 -0.091 17879 490 1 . 1 1 88 88 THR CA C 87 65.079 65.079 64.384 0.695 17879 491 1 . 1 1 88 88 THR CB C 87 68.818 68.818 68.863 -0.045 17879 492 1 . 1 1 88 88 THR H H 87 8.291 8.291 8.061 0.230 17879 493 1 . 1 1 89 89 ALA N N 88 119.706 119.706 123.017 -3.311 17879 494 1 . 1 1 89 89 ALA HA H 88 4.420 4.420 4.308 0.112 17879 495 1 . 1 1 89 89 ALA C C 88 177.690 177.690 178.080 -0.390 17879 496 1 . 1 1 89 89 ALA CA C 88 52.118 52.118 52.329 -0.211 17879 497 1 . 1 1 89 89 ALA CB C 88 19.334 19.334 17.575 1.759 17879 498 1 . 1 1 89 89 ALA H H 88 8.031 8.031 8.144 -0.113 17879 499 1 . 1 1 90 90 ALA N N 89 120.388 120.388 122.561 -2.173 17879 500 1 . 1 1 90 90 ALA HA H 89 4.179 4.179 4.286 -0.107 17879 501 1 . 1 1 90 90 ALA C C 89 176.520 176.520 176.471 0.049 17879 502 1 . 1 1 90 90 ALA CA C 89 52.454 52.454 51.061 1.393 17879 503 1 . 1 1 90 90 ALA CB C 89 19.301 19.301 17.119 2.182 17879 504 1 . 1 1 90 90 ALA H H 89 7.465 7.465 7.826 -0.361 17879 505 1 . 1 1 91 91 LEU N N 90 119.307 119.307 121.969 -2.662 17879 506 1 . 1 1 91 91 LEU HA H 90 4.490 4.490 3.960 0.530 17879 507 1 . 1 1 91 91 LEU C C 90 179.555 179.555 178.123 1.432 17879 508 1 . 1 1 91 91 LEU CA C 90 54.578 54.578 56.047 -1.469 17879 509 1 . 1 1 91 91 LEU CB C 90 42.689 42.689 41.651 1.038 17879 510 1 . 1 1 91 91 LEU H H 90 8.458 8.458 8.411 0.047 17879 511 1 . 1 1 92 92 MET N N 91 121.586 121.586 124.047 -2.461 17879 512 1 . 1 1 92 92 MET HA H 91 4.231 4.231 3.952 0.279 17879 513 1 . 1 1 92 92 MET C C 91 178.860 178.860 178.570 0.290 17879 514 1 . 1 1 92 92 MET CA C 91 56.938 56.938 58.452 -1.514 17879 515 1 . 1 1 92 92 MET CB C 91 29.372 29.372 31.208 -1.836 17879 516 1 . 1 1 92 92 MET H H 91 9.203 9.203 8.450 0.753 17879 517 1 . 1 1 93 93 SER N N 92 112.826 112.826 115.075 -2.249 17879 518 1 . 1 1 93 93 SER HA H 92 3.978 3.978 4.132 -0.154 17879 519 1 . 1 1 93 93 SER C C 92 176.318 176.318 176.170 0.148 17879 520 1 . 1 1 93 93 SER CA C 92 60.871 60.871 61.038 -0.167 17879 521 1 . 1 1 93 93 SER CB C 92 61.575 61.575 62.830 -1.255 17879 522 1 . 1 1 93 93 SER H H 92 8.717 8.717 8.426 0.291 17879 523 1 . 1 1 94 94 ALA N N 93 126.735 126.735 123.279 3.456 17879 524 1 . 1 1 94 94 ALA HA H 93 4.357 4.357 4.223 0.134 17879 525 1 . 1 1 94 94 ALA C C 93 180.789 180.789 178.830 1.959 17879 526 1 . 1 1 94 94 ALA CA C 93 54.841 54.841 54.215 0.626 17879 527 1 . 1 1 94 94 ALA CB C 93 18.603 18.603 18.670 -0.067 17879 528 1 . 1 1 94 94 ALA H H 93 7.058 7.058 7.970 -0.912 17879 529 1 . 1 1 95 95 ILE N N 94 118.720 118.720 117.890 0.830 17879 530 1 . 1 1 95 95 ILE HA H 94 4.063 4.063 3.930 0.133 17879 531 1 . 1 1 95 95 ILE C C 94 178.326 178.326 177.262 1.064 17879 532 1 . 1 1 95 95 ILE CA C 94 62.755 62.755 63.022 -0.267 17879 533 1 . 1 1 95 95 ILE CB C 94 36.410 36.410 38.054 -1.644 17879 534 1 . 1 1 95 95 ILE H H 94 7.872 7.872 7.728 0.144 17879 535 1 . 1 1 96 96 TYR N N 95 120.697 120.697 119.413 1.284 17879 536 1 . 1 1 96 96 TYR HA H 95 4.007 4.007 4.220 -0.213 17879 537 1 . 1 1 96 96 TYR C C 95 176.022 176.022 176.048 -0.026 17879 538 1 . 1 1 96 96 TYR CA C 95 62.187 62.187 60.046 2.142 17879 539 1 . 1 1 96 96 TYR CB C 95 39.093 39.093 38.667 0.425 17879 540 1 . 1 1 96 96 TYR H H 95 8.841 8.841 8.351 0.490 17879 541 1 . 1 1 97 97 GLN N N 96 114.982 114.982 117.495 -2.513 17879 542 1 . 1 1 97 97 GLN HA H 96 3.778 3.778 4.289 -0.511 17879 543 1 . 1 1 97 97 GLN C C 96 177.250 177.250 176.186 1.064 17879 544 1 . 1 1 97 97 GLN CA C 96 58.719 58.719 56.539 2.180 17879 545 1 . 1 1 97 97 GLN CB C 96 28.286 28.286 29.237 -0.951 17879 546 1 . 1 1 97 97 GLN H H 96 7.757 7.757 7.869 -0.112 17879 547 1 . 1 1 98 98 GLU N N 97 114.340 114.340 117.792 -3.452 17879 548 1 . 1 1 98 98 GLU HA H 97 4.099 4.099 4.306 -0.207 17879 549 1 . 1 1 98 98 GLU C C 97 178.140 178.140 176.955 1.185 17879 550 1 . 1 1 98 98 GLU CA C 97 57.886 57.886 56.656 1.230 17879 551 1 . 1 1 98 98 GLU CB C 97 31.589 31.589 31.201 0.388 17879 552 1 . 1 1 98 98 GLU H H 97 7.117 7.117 7.709 -0.592 17879 553 1 . 1 1 99 99 HIS N N 98 113.377 113.377 117.494 -4.117 17879 554 1 . 1 1 99 99 HIS HA H 98 4.829 4.829 4.785 0.044 17879 555 1 . 1 1 99 99 HIS C C 98 175.856 175.856 174.167 1.689 17879 556 1 . 1 1 99 99 HIS CA C 98 56.738 56.738 54.422 2.316 17879 557 1 . 1 1 99 99 HIS CB C 98 32.930 32.930 30.806 2.124 17879 558 1 . 1 1 99 99 HIS H H 98 8.247 8.247 7.949 0.298 17879 559 1 . 1 1 100 100 LYS N N 99 120.905 120.905 119.058 1.847 17879 560 1 . 1 1 100 100 LYS HA H 99 3.994 3.994 3.926 0.068 17879 561 1 . 1 1 100 100 LYS C C 99 174.832 174.832 175.710 -0.878 17879 562 1 . 1 1 100 100 LYS CA C 99 57.693 57.693 56.512 1.181 17879 563 1 . 1 1 100 100 LYS CB C 99 31.703 31.703 32.548 -0.845 17879 564 1 . 1 1 100 100 LYS H H 99 8.065 8.065 7.588 0.477 17879 565 1 . 1 1 101 101 ASP N N 100 124.188 124.188 120.134 4.054 17879 566 1 . 1 1 101 101 ASP HA H 100 4.765 4.765 4.897 -0.132 17879 567 1 . 1 1 101 101 ASP C C 100 177.692 177.692 176.381 1.311 17879 568 1 . 1 1 101 101 ASP CA C 100 54.030 54.030 52.133 1.897 17879 569 1 . 1 1 101 101 ASP CB C 100 43.429 43.429 43.735 -0.306 17879 570 1 . 1 1 101 101 ASP H H 100 9.027 9.027 7.994 1.033 17879 571 1 . 1 1 102 102 LYS N N 101 125.898 125.898 119.532 6.366 17879 572 1 . 1 1 102 102 LYS HA H 101 4.239 4.239 4.162 0.077 17879 573 1 . 1 1 102 102 LYS C C 101 178.053 178.053 177.339 0.714 17879 574 1 . 1 1 102 102 LYS CA C 101 59.482 59.482 59.282 0.199 17879 575 1 . 1 1 102 102 LYS CB C 101 32.821 32.821 32.678 0.143 17879 576 1 . 1 1 102 102 LYS H H 101 8.678 8.678 8.819 -0.141 17879 577 1 . 1 1 103 103 ASP N N 102 119.326 119.326 115.023 4.303 17879 578 1 . 1 1 103 103 ASP HA H 102 4.127 4.127 4.394 -0.267 17879 579 1 . 1 1 103 103 ASP C C 102 176.833 176.833 177.182 -0.349 17879 580 1 . 1 1 103 103 ASP CA C 102 54.666 54.666 54.703 -0.037 17879 581 1 . 1 1 103 103 ASP CB C 102 39.848 39.848 40.583 -0.735 17879 582 1 . 1 1 103 103 ASP H H 102 10.276 10.276 8.548 1.728 17879 583 1 . 1 1 104 104 GLY N N 103 106.059 106.059 107.141 -1.082 17879 584 1 . 1 1 104 104 GLY C C 103 174.655 174.655 174.575 0.080 17879 585 1 . 1 1 104 104 GLY CA C 103 45.319 45.319 45.451 -0.132 17879 586 1 . 1 1 104 104 GLY H H 103 8.173 8.173 7.971 0.202 17879 587 1 . 1 1 105 105 PHE N N 104 121.781 121.781 121.655 0.126 17879 588 1 . 1 1 105 105 PHE HA H 104 4.682 4.682 4.482 0.200 17879 589 1 . 1 1 105 105 PHE C C 104 174.830 174.830 176.018 -1.188 17879 590 1 . 1 1 105 105 PHE CA C 104 59.377 59.377 59.359 0.018 17879 591 1 . 1 1 105 105 PHE CB C 104 39.938 39.938 39.357 0.581 17879 592 1 . 1 1 105 105 PHE H H 104 9.600 9.600 7.806 1.794 17879 593 1 . 1 1 106 106 LEU N N 105 119.929 119.929 122.474 -2.545 17879 594 1 . 1 1 106 106 LEU HA H 105 4.897 4.897 4.320 0.577 17879 595 1 . 1 1 106 106 LEU C C 105 173.947 173.947 176.089 -2.142 17879 596 1 . 1 1 106 106 LEU CA C 105 53.463 53.463 54.470 -1.006 17879 597 1 . 1 1 106 106 LEU CB C 105 45.066 45.066 43.441 1.625 17879 598 1 . 1 1 106 106 LEU H H 105 8.376 8.376 8.484 -0.108 17879 599 1 . 1 1 107 107 TYR N N 106 127.637 127.637 120.871 6.766 17879 600 1 . 1 1 107 107 TYR HA H 106 4.992 4.992 4.895 0.097 17879 601 1 . 1 1 107 107 TYR C C 106 176.099 176.099 174.829 1.270 17879 602 1 . 1 1 107 107 TYR CA C 106 58.893 58.893 57.319 1.574 17879 603 1 . 1 1 107 107 TYR CB C 106 38.140 38.140 39.191 -1.051 17879 604 1 . 1 1 107 107 TYR H H 106 9.124 9.124 8.613 0.511 17879 605 1 . 1 1 108 108 VAL N N 107 121.630 121.630 121.328 0.302 17879 606 1 . 1 1 108 108 VAL HA H 107 5.135 5.135 4.722 0.413 17879 607 1 . 1 1 108 108 VAL C C 107 175.722 175.722 174.828 0.894 17879 608 1 . 1 1 108 108 VAL CA C 107 59.587 59.587 59.832 -0.245 17879 609 1 . 1 1 108 108 VAL CB C 107 34.787 34.787 34.683 0.104 17879 610 1 . 1 1 108 108 VAL H H 107 9.560 9.560 8.546 1.014 17879 611 1 . 1 1 109 109 THR N N 108 119.845 119.845 116.738 3.107 17879 612 1 . 1 1 109 109 THR HA H 108 6.155 6.155 5.252 0.903 17879 613 1 . 1 1 109 109 THR C C 108 174.158 174.158 173.401 0.757 17879 614 1 . 1 1 109 109 THR CA C 108 59.869 59.869 61.868 -1.999 17879 615 1 . 1 1 109 109 THR CB C 108 72.268 72.268 71.244 1.024 17879 616 1 . 1 1 109 109 THR H H 108 9.061 9.061 8.145 0.916 17879 617 1 . 1 1 110 110 TYR N N 109 119.706 119.706 123.326 -3.620 17879 618 1 . 1 1 110 110 TYR HA H 109 6.332 6.332 5.804 0.528 17879 619 1 . 1 1 110 110 TYR C C 109 173.366 173.366 173.735 -0.369 17879 620 1 . 1 1 110 110 TYR CA C 109 54.655 54.655 55.114 -0.459 17879 621 1 . 1 1 110 110 TYR CB C 109 42.250 42.250 40.563 1.687 17879 622 1 . 1 1 110 110 TYR H H 109 8.461 8.461 9.206 -0.745 17879 623 1 . 1 1 111 111 SER N N 110 112.907 112.907 118.029 -5.122 17879 624 1 . 1 1 111 111 SER HA H 110 4.745 4.745 4.921 -0.176 17879 625 1 . 1 1 111 111 SER C C 110 173.692 173.692 175.140 -1.448 17879 626 1 . 1 1 111 111 SER CA C 110 56.044 56.044 55.664 0.380 17879 627 1 . 1 1 111 111 SER CB C 110 66.177 66.177 66.215 -0.038 17879 628 1 . 1 1 111 111 SER H H 110 9.089 9.089 9.001 0.088 17879 629 1 . 1 1 112 112 GLY N N 111 111.054 111.054 109.534 1.520 17879 630 1 . 1 1 112 112 GLY C C 111 173.331 173.331 174.022 -0.691 17879 631 1 . 1 1 112 112 GLY CA C 111 45.341 45.341 45.637 -0.296 17879 632 1 . 1 1 112 112 GLY H H 111 8.443 8.443 8.850 -0.407 17879 633 1 . 1 1 113 113 GLU N N 112 118.801 118.801 119.115 -0.314 17879 634 1 . 1 1 113 113 GLU HA H 112 4.660 4.660 4.563 0.097 17879 635 1 . 1 1 113 113 GLU C C 112 174.538 174.538 175.168 -0.630 17879 636 1 . 1 1 113 113 GLU CA C 112 55.642 55.642 54.923 0.719 17879 637 1 . 1 1 113 113 GLU CB C 112 32.930 32.930 31.289 1.640 17879 638 1 . 1 1 113 113 GLU H H 112 8.413 8.413 7.629 0.784 17879 639 1 . 1 1 114 114 ASN N N 113 118.152 118.152 120.184 -2.032 17879 640 1 . 1 1 114 114 ASN HA H 113 4.187 4.187 4.545 -0.358 17879 641 1 . 1 1 114 114 ASN C C 113 175.011 175.011 174.409 0.602 17879 642 1 . 1 1 114 114 ASN CA C 113 51.910 51.910 52.674 -0.764 17879 643 1 . 1 1 114 114 ASN CB C 113 36.865 36.865 37.624 -0.759 17879 644 1 . 1 1 114 114 ASN H H 113 8.207 8.207 8.619 -0.412 17879 645 1 . 1 1 115 115 THR N N 114 112.887 112.887 114.904 -2.017 17879 646 1 . 1 1 115 115 THR HA H 114 4.190 4.190 4.533 -0.343 17879 647 1 . 1 1 115 115 THR C C 114 173.575 173.575 173.226 0.349 17879 648 1 . 1 1 115 115 THR CA C 114 61.149 61.149 61.094 0.055 17879 649 1 . 1 1 115 115 THR CB C 114 69.859 69.859 70.393 -0.534 17879 650 1 . 1 1 115 115 THR H H 114 7.411 7.411 7.629 -0.218 17879 651 1 . 1 1 116 116 PHE N N 115 121.474 121.474 117.790 3.684 17879 652 1 . 1 1 116 116 PHE HA H 115 4.451 4.451 4.624 -0.173 17879 653 1 . 1 1 116 116 PHE C C 115 175.078 175.078 174.685 0.393 17879 654 1 . 1 1 116 116 PHE CA C 115 57.681 57.681 56.062 1.619 17879 655 1 . 1 1 116 116 PHE CB C 115 39.569 39.569 38.853 0.716 17879 656 1 . 1 1 116 116 PHE H H 115 8.021 8.021 7.611 0.410 17879 stop_ save_