data_19367 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19367 _Entry.PDB_ID 2MAP 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 19367 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 4 4 GLN N N 4 121.848 121.848 121.244 0.604 19367 2 1 1 . 1 1 4 4 GLN HA H 4 4.307 4.307 4.612 -0.305 19367 3 1 1 . 1 1 4 4 GLN CA C 4 55.724 55.724 55.051 0.673 19367 4 1 1 . 1 1 4 4 GLN CB C 4 29.297 29.297 30.608 -1.311 19367 5 1 1 . 1 1 4 4 GLN H H 4 8.500 8.500 8.722 -0.222 19367 6 1 1 . 1 1 5 5 LEU N N 5 124.347 124.347 125.297 -0.950 19367 7 1 1 . 1 1 5 5 LEU HA H 5 4.548 4.548 4.469 0.079 19367 8 1 1 . 1 1 5 5 LEU CA C 5 53.785 53.785 54.245 -0.459 19367 9 1 1 . 1 1 5 5 LEU CB C 5 41.886 41.886 39.656 2.230 19367 10 1 1 . 1 1 5 5 LEU H H 5 8.565 8.565 8.810 -0.245 19367 11 1 1 . 1 1 6 6 THR N N 6 114.442 114.442 112.146 2.296 19367 12 1 1 . 1 1 6 6 THR HA H 6 4.353 4.353 4.317 0.036 19367 13 1 1 . 1 1 6 6 THR CA C 6 61.195 61.195 61.261 -0.066 19367 14 1 1 . 1 1 6 6 THR CB C 6 70.541 70.541 70.518 0.023 19367 15 1 1 . 1 1 6 6 THR H H 6 7.950 7.950 7.740 0.210 19367 16 1 1 . 1 1 7 7 ASP N N 7 120.959 120.959 118.666 2.293 19367 17 1 1 . 1 1 7 7 ASP HA H 7 4.197 4.197 4.285 -0.088 19367 18 1 1 . 1 1 7 7 ASP CA C 7 57.820 57.820 56.884 0.936 19367 19 1 1 . 1 1 7 7 ASP CB C 7 39.621 39.621 40.194 -0.573 19367 20 1 1 . 1 1 7 7 ASP H H 7 9.008 9.008 9.031 -0.023 19367 21 1 1 . 1 1 8 8 GLN N N 8 116.649 116.649 119.608 -2.959 19367 22 1 1 . 1 1 8 8 GLN HA H 8 4.012 4.012 4.196 -0.184 19367 23 1 1 . 1 1 8 8 GLN CA C 8 59.746 59.746 58.630 1.116 19367 24 1 1 . 1 1 8 8 GLN CB C 8 28.188 28.188 28.981 -0.793 19367 25 1 1 . 1 1 8 8 GLN H H 8 8.561 8.561 7.629 0.932 19367 26 1 1 . 1 1 9 9 VAL N N 9 120.579 120.579 116.935 3.644 19367 27 1 1 . 1 1 9 9 VAL HA H 9 3.760 3.760 3.998 -0.238 19367 28 1 1 . 1 1 9 9 VAL CA C 9 66.108 66.108 65.061 1.047 19367 29 1 1 . 1 1 9 9 VAL CB C 9 31.558 31.558 31.607 -0.049 19367 30 1 1 . 1 1 9 9 VAL H H 9 7.450 7.450 7.541 -0.091 19367 31 1 1 . 1 1 10 10 LEU N N 10 119.806 119.806 121.094 -1.288 19367 32 1 1 . 1 1 10 10 LEU HA H 10 3.917 3.917 4.266 -0.349 19367 33 1 1 . 1 1 10 10 LEU CA C 10 58.415 58.415 57.663 0.752 19367 34 1 1 . 1 1 10 10 LEU CB C 10 41.299 41.299 41.855 -0.556 19367 35 1 1 . 1 1 10 10 LEU H H 10 7.865 7.865 7.415 0.450 19367 36 1 1 . 1 1 11 11 VAL N N 11 119.041 119.041 119.022 0.019 19367 37 1 1 . 1 1 11 11 VAL HA H 11 3.280 3.280 3.597 -0.317 19367 38 1 1 . 1 1 11 11 VAL CA C 11 67.631 67.631 66.725 0.905 19367 39 1 1 . 1 1 11 11 VAL CB C 11 31.723 31.723 31.472 0.251 19367 40 1 1 . 1 1 11 11 VAL H H 11 8.734 8.734 7.981 0.753 19367 41 1 1 . 1 1 12 12 GLU N N 12 119.018 119.018 118.529 0.489 19367 42 1 1 . 1 1 12 12 GLU HA H 12 4.110 4.110 4.123 -0.013 19367 43 1 1 . 1 1 12 12 GLU CA C 12 59.514 59.514 58.656 0.858 19367 44 1 1 . 1 1 12 12 GLU CB C 12 28.603 28.603 29.183 -0.581 19367 45 1 1 . 1 1 12 12 GLU H H 12 7.802 7.802 7.681 0.121 19367 46 1 1 . 1 1 13 13 ARG N N 13 117.242 117.242 120.069 -2.827 19367 47 1 1 . 1 1 13 13 ARG HA H 13 4.011 4.011 4.158 -0.147 19367 48 1 1 . 1 1 13 13 ARG CA C 13 60.016 60.016 59.060 0.956 19367 49 1 1 . 1 1 13 13 ARG CB C 13 27.737 27.737 30.160 -2.422 19367 50 1 1 . 1 1 13 13 ARG H H 13 8.107 8.107 7.603 0.504 19367 51 1 1 . 1 1 14 14 VAL N N 14 121.430 121.430 119.309 2.121 19367 52 1 1 . 1 1 14 14 VAL HA H 14 3.767 3.767 4.152 -0.385 19367 53 1 1 . 1 1 14 14 VAL CA C 14 66.462 66.462 65.633 0.829 19367 54 1 1 . 1 1 14 14 VAL CB C 14 31.616 31.616 31.979 -0.363 19367 55 1 1 . 1 1 14 14 VAL H H 14 8.435 8.435 7.529 0.906 19367 56 1 1 . 1 1 15 15 GLN N N 15 120.667 120.667 118.985 1.682 19367 57 1 1 . 1 1 15 15 GLN HA H 15 4.088 4.088 4.127 -0.039 19367 58 1 1 . 1 1 15 15 GLN CA C 15 58.628 58.628 58.161 0.467 19367 59 1 1 . 1 1 15 15 GLN CB C 15 27.995 27.995 28.456 -0.461 19367 60 1 1 . 1 1 15 15 GLN H H 15 8.670 8.670 7.690 0.980 19367 61 1 1 . 1 1 16 16 LYS N N 16 116.797 116.797 117.897 -1.100 19367 62 1 1 . 1 1 16 16 LYS HA H 16 4.374 4.374 4.313 0.061 19367 63 1 1 . 1 1 16 16 LYS CA C 16 56.278 56.278 56.207 0.071 19367 64 1 1 . 1 1 16 16 LYS CB C 16 32.299 32.299 32.475 -0.176 19367 65 1 1 . 1 1 16 16 LYS H H 16 7.700 7.700 7.668 0.032 19367 66 1 1 . 1 1 17 17 GLY N N 17 107.001 107.001 108.073 -1.072 19367 67 1 1 . 1 1 17 17 GLY CA C 17 45.608 45.608 44.943 0.665 19367 68 1 1 . 1 1 17 17 GLY H H 17 7.927 7.927 7.788 0.139 19367 69 1 1 . 1 1 18 18 ASP N N 18 121.666 121.666 121.808 -0.142 19367 70 1 1 . 1 1 18 18 ASP HA H 18 4.769 4.769 4.724 0.045 19367 71 1 1 . 1 1 18 18 ASP CA C 18 52.999 52.999 53.949 -0.950 19367 72 1 1 . 1 1 18 18 ASP CB C 18 40.814 40.814 41.393 -0.579 19367 73 1 1 . 1 1 18 18 ASP H H 18 8.255 8.255 7.599 0.656 19367 74 1 1 . 1 1 19 19 GLN N N 19 124.874 124.874 125.655 -0.781 19367 75 1 1 . 1 1 19 19 GLN HA H 19 4.150 4.150 4.360 -0.210 19367 76 1 1 . 1 1 19 19 GLN CA C 19 58.922 58.922 58.147 0.775 19367 77 1 1 . 1 1 19 19 GLN CB C 19 28.759 28.759 29.029 -0.269 19367 78 1 1 . 1 1 19 19 GLN H H 19 8.392 8.392 8.713 -0.321 19367 79 1 1 . 1 1 20 20 LYS N N 20 119.006 119.006 119.032 -0.026 19367 80 1 1 . 1 1 20 20 LYS HA H 20 4.118 4.118 4.157 -0.039 19367 81 1 1 . 1 1 20 20 LYS CA C 20 58.642 58.642 58.215 0.427 19367 82 1 1 . 1 1 20 20 LYS CB C 20 31.678 31.678 32.084 -0.406 19367 83 1 1 . 1 1 20 20 LYS H H 20 8.348 8.348 8.097 0.251 19367 84 1 1 . 1 1 21 21 ALA N N 21 121.687 121.687 122.075 -0.388 19367 85 1 1 . 1 1 21 21 ALA HA H 21 4.010 4.010 4.147 -0.137 19367 86 1 1 . 1 1 21 21 ALA CA C 21 54.485 54.485 54.921 -0.436 19367 87 1 1 . 1 1 21 21 ALA CB C 21 18.634 18.634 18.273 0.361 19367 88 1 1 . 1 1 21 21 ALA H H 21 7.500 7.500 8.312 -0.812 19367 89 1 1 . 1 1 22 22 PHE N N 22 117.219 117.219 118.357 -1.138 19367 90 1 1 . 1 1 22 22 PHE HA H 22 3.994 3.994 4.277 -0.283 19367 91 1 1 . 1 1 22 22 PHE CA C 22 61.907 61.907 60.722 1.185 19367 92 1 1 . 1 1 22 22 PHE CB C 22 38.571 38.571 39.651 -1.079 19367 93 1 1 . 1 1 22 22 PHE H H 22 7.810 7.810 7.530 0.280 19367 94 1 1 . 1 1 23 23 ASN N N 23 115.600 115.600 118.476 -2.876 19367 95 1 1 . 1 1 23 23 ASN HA H 23 4.163 4.163 4.218 -0.055 19367 96 1 1 . 1 1 23 23 ASN CA C 23 56.264 56.264 56.626 -0.362 19367 97 1 1 . 1 1 23 23 ASN CB C 23 38.131 38.131 38.463 -0.332 19367 98 1 1 . 1 1 23 23 ASN H H 23 7.711 7.711 7.771 -0.060 19367 99 1 1 . 1 1 24 24 LEU N N 24 117.605 117.605 119.353 -1.748 19367 100 1 1 . 1 1 24 24 LEU HA H 24 3.999 3.999 4.151 -0.152 19367 101 1 1 . 1 1 24 24 LEU CA C 24 57.811 57.811 57.036 0.775 19367 102 1 1 . 1 1 24 24 LEU CB C 24 41.367 41.367 40.966 0.401 19367 103 1 1 . 1 1 24 24 LEU H H 24 7.344 7.344 7.594 -0.250 19367 104 1 1 . 1 1 25 25 LEU N N 25 120.426 120.426 120.710 -0.284 19367 105 1 1 . 1 1 25 25 LEU HA H 25 3.938 3.938 4.079 -0.141 19367 106 1 1 . 1 1 25 25 LEU CA C 25 57.863 57.863 57.470 0.393 19367 107 1 1 . 1 1 25 25 LEU CB C 25 41.479 41.479 41.578 -0.099 19367 108 1 1 . 1 1 25 25 LEU H H 25 7.036 7.036 7.233 -0.197 19367 109 1 1 . 1 1 26 26 VAL N N 26 119.676 119.676 119.224 0.452 19367 110 1 1 . 1 1 26 26 VAL HA H 26 2.857 2.857 2.729 0.128 19367 111 1 1 . 1 1 26 26 VAL CA C 26 65.821 65.821 66.273 -0.452 19367 112 1 1 . 1 1 26 26 VAL CB C 26 30.816 30.816 30.610 0.206 19367 113 1 1 . 1 1 26 26 VAL H H 26 7.369 7.369 7.719 -0.350 19367 114 1 1 . 1 1 27 27 VAL N N 27 117.098 117.098 118.053 -0.955 19367 115 1 1 . 1 1 27 27 VAL HA H 27 3.542 3.542 3.622 -0.080 19367 116 1 1 . 1 1 27 27 VAL CA C 27 65.837 65.837 65.768 0.069 19367 117 1 1 . 1 1 27 27 VAL CB C 27 31.728 31.728 31.257 0.471 19367 118 1 1 . 1 1 27 27 VAL H H 27 7.816 7.816 7.604 0.212 19367 119 1 1 . 1 1 28 28 ARG N N 28 118.592 118.592 119.351 -0.759 19367 120 1 1 . 1 1 28 28 ARG HA H 28 3.838 3.838 3.983 -0.145 19367 121 1 1 . 1 1 28 28 ARG CA C 28 59.356 59.356 58.534 0.822 19367 122 1 1 . 1 1 28 28 ARG CB C 28 31.069 31.069 30.157 0.912 19367 123 1 1 . 1 1 28 28 ARG H H 28 7.491 7.491 7.410 0.081 19367 124 1 1 . 1 1 29 29 TYR N N 29 112.635 112.635 116.070 -3.435 19367 125 1 1 . 1 1 29 29 TYR HA H 29 4.945 4.945 4.902 0.043 19367 126 1 1 . 1 1 29 29 TYR CA C 29 60.438 60.438 58.150 2.288 19367 127 1 1 . 1 1 29 29 TYR CB C 29 40.619 40.619 40.442 0.177 19367 128 1 1 . 1 1 29 29 TYR H H 29 7.675 7.675 7.498 0.177 19367 129 1 1 . 1 1 30 30 GLN N N 30 123.043 123.043 121.493 1.550 19367 130 1 1 . 1 1 30 30 GLN HA H 30 4.119 4.119 4.374 -0.255 19367 131 1 1 . 1 1 30 30 GLN CA C 30 61.409 61.409 59.693 1.716 19367 132 1 1 . 1 1 30 30 GLN CB C 30 26.933 26.933 28.047 -1.114 19367 133 1 1 . 1 1 30 30 GLN H H 30 9.056 9.056 8.330 0.726 19367 134 1 1 . 1 1 31 31 HIS N N 31 118.704 118.704 118.973 -0.269 19367 135 1 1 . 1 1 31 31 HIS HA H 31 4.435 4.435 4.546 -0.111 19367 136 1 1 . 1 1 31 31 HIS CA C 31 59.580 59.580 58.368 1.212 19367 137 1 1 . 1 1 31 31 HIS CB C 31 29.396 29.396 30.109 -0.713 19367 138 1 1 . 1 1 31 31 HIS H H 31 8.616 8.616 8.596 0.020 19367 139 1 1 . 1 1 32 32 LYS N N 32 122.594 122.594 119.613 2.981 19367 140 1 1 . 1 1 32 32 LYS HA H 32 4.029 4.029 4.172 -0.143 19367 141 1 1 . 1 1 32 32 LYS CA C 32 59.869 59.869 58.987 0.882 19367 142 1 1 . 1 1 32 32 LYS CB C 32 32.580 32.580 32.648 -0.067 19367 143 1 1 . 1 1 32 32 LYS H H 32 7.848 7.848 7.601 0.247 19367 144 1 1 . 1 1 33 33 VAL N N 33 119.621 119.621 119.237 0.384 19367 145 1 1 . 1 1 33 33 VAL HA H 33 3.480 3.480 3.883 -0.403 19367 146 1 1 . 1 1 33 33 VAL CA C 33 66.671 66.671 64.237 2.434 19367 147 1 1 . 1 1 33 33 VAL CB C 33 31.142 31.142 31.997 -0.855 19367 148 1 1 . 1 1 33 33 VAL H H 33 8.653 8.653 8.659 -0.006 19367 149 1 1 . 1 1 34 34 ALA N N 34 122.622 122.622 121.505 1.117 19367 150 1 1 . 1 1 34 34 ALA HA H 34 3.736 3.736 4.082 -0.346 19367 151 1 1 . 1 1 34 34 ALA CA C 34 55.762 55.762 54.999 0.763 19367 152 1 1 . 1 1 34 34 ALA CB C 34 17.681 17.681 18.136 -0.455 19367 153 1 1 . 1 1 34 34 ALA H H 34 8.498 8.498 7.716 0.782 19367 154 1 1 . 1 1 35 35 SER N N 35 113.674 113.674 113.654 0.020 19367 155 1 1 . 1 1 35 35 SER HA H 35 4.040 4.040 4.260 -0.220 19367 156 1 1 . 1 1 35 35 SER CA C 35 61.765 61.765 61.115 0.650 19367 157 1 1 . 1 1 35 35 SER CB C 35 62.766 62.766 63.400 -0.634 19367 158 1 1 . 1 1 35 35 SER H H 35 7.897 7.897 7.567 0.330 19367 159 1 1 . 1 1 36 36 LEU N N 36 123.203 123.203 123.139 0.064 19367 160 1 1 . 1 1 36 36 LEU HA H 36 3.992 3.992 4.264 -0.272 19367 161 1 1 . 1 1 36 36 LEU CA C 36 57.863 57.863 57.561 0.302 19367 162 1 1 . 1 1 36 36 LEU CB C 36 42.718 42.718 41.834 0.884 19367 163 1 1 . 1 1 36 36 LEU H H 36 7.494 7.494 7.236 0.258 19367 164 1 1 . 1 1 37 37 VAL N N 37 114.122 114.122 116.000 -1.878 19367 165 1 1 . 1 1 37 37 VAL HA H 37 3.627 3.627 4.081 -0.454 19367 166 1 1 . 1 1 37 37 VAL CA C 37 65.879 65.879 65.192 0.687 19367 167 1 1 . 1 1 37 37 VAL CB C 37 31.214 31.214 31.211 0.003 19367 168 1 1 . 1 1 37 37 VAL H H 37 8.530 8.530 8.159 0.371 19367 169 1 1 . 1 1 38 38 SER N N 38 116.259 116.259 114.697 1.562 19367 170 1 1 . 1 1 38 38 SER HA H 38 4.276 4.276 4.331 -0.055 19367 171 1 1 . 1 1 38 38 SER CA C 38 60.898 60.898 60.331 0.567 19367 172 1 1 . 1 1 38 38 SER CB C 38 63.143 63.143 63.066 0.077 19367 173 1 1 . 1 1 38 38 SER H H 38 8.136 8.136 7.695 0.441 19367 174 1 1 . 1 1 39 39 ARG N N 39 119.029 119.029 119.137 -0.108 19367 175 1 1 . 1 1 39 39 ARG HA H 39 3.995 3.995 3.963 0.032 19367 176 1 1 . 1 1 39 39 ARG CA C 39 57.640 57.640 57.478 0.162 19367 177 1 1 . 1 1 39 39 ARG CB C 39 29.719 29.719 30.012 -0.293 19367 178 1 1 . 1 1 39 39 ARG H H 39 7.310 7.310 7.360 -0.050 19367 179 1 1 . 1 1 40 40 TYR N N 40 114.123 114.123 115.514 -1.391 19367 180 1 1 . 1 1 40 40 TYR HA H 40 4.472 4.472 4.698 -0.226 19367 181 1 1 . 1 1 40 40 TYR CA C 40 59.298 59.298 57.907 1.391 19367 182 1 1 . 1 1 40 40 TYR CB C 40 42.809 42.809 41.080 1.729 19367 183 1 1 . 1 1 40 40 TYR H H 40 7.786 7.786 7.806 -0.020 19367 184 1 1 . 1 1 41 41 VAL N N 41 112.721 112.721 114.464 -1.743 19367 185 1 1 . 1 1 41 41 VAL HA H 41 4.853 4.853 4.759 0.094 19367 186 1 1 . 1 1 41 41 VAL CA C 41 57.942 57.942 57.964 -0.022 19367 187 1 1 . 1 1 41 41 VAL CB C 41 33.171 33.171 33.379 -0.208 19367 188 1 1 . 1 1 41 41 VAL H H 41 7.388 7.388 7.734 -0.345 19367 189 1 1 . 1 1 42 42 PRO HA H 42 4.415 4.415 4.736 -0.321 19367 190 1 1 . 1 1 42 42 PRO CA C 42 62.645 62.645 62.594 0.051 19367 191 1 1 . 1 1 42 42 PRO CB C 42 32.603 32.603 32.975 -0.372 19367 192 1 1 . 1 1 43 43 SER N N 43 116.784 116.784 115.964 0.820 19367 193 1 1 . 1 1 43 43 SER HA H 43 4.009 4.009 4.188 -0.179 19367 194 1 1 . 1 1 43 43 SER CA C 43 62.098 62.098 59.975 2.123 19367 195 1 1 . 1 1 43 43 SER CB C 43 62.862 62.862 62.955 -0.093 19367 196 1 1 . 1 1 43 43 SER H H 43 8.602 8.602 8.658 -0.056 19367 197 1 1 . 1 1 44 44 GLY N N 44 107.756 107.756 107.614 0.142 19367 198 1 1 . 1 1 44 44 GLY CA C 44 46.503 46.503 45.682 0.821 19367 199 1 1 . 1 1 44 44 GLY H H 44 8.812 8.812 8.117 0.695 19367 200 1 1 . 1 1 45 45 ASP N N 45 117.822 117.822 119.821 -1.999 19367 201 1 1 . 1 1 45 45 ASP HA H 45 4.875 4.875 4.858 0.017 19367 202 1 1 . 1 1 45 45 ASP CA C 45 54.770 54.770 54.156 0.614 19367 203 1 1 . 1 1 45 45 ASP CB C 45 42.593 42.593 42.275 0.318 19367 204 1 1 . 1 1 45 45 ASP H H 45 7.764 7.764 8.033 -0.269 19367 205 1 1 . 1 1 46 46 VAL N N 46 119.385 119.385 121.911 -2.526 19367 206 1 1 . 1 1 46 46 VAL HA H 46 3.233 3.233 3.799 -0.566 19367 207 1 1 . 1 1 46 46 VAL CA C 46 68.546 68.546 68.155 0.391 19367 208 1 1 . 1 1 46 46 VAL CB C 46 29.851 29.851 29.022 0.829 19367 209 1 1 . 1 1 46 46 VAL H H 46 7.148 7.148 7.506 -0.358 19367 210 1 1 . 1 1 47 47 PRO HA H 47 4.113 4.113 4.307 -0.194 19367 211 1 1 . 1 1 47 47 PRO CA C 47 66.527 66.527 65.835 0.692 19367 212 1 1 . 1 1 47 47 PRO CB C 47 28.496 28.496 31.211 -2.715 19367 213 1 1 . 1 1 48 48 ASP N N 48 116.654 116.654 118.605 -1.951 19367 214 1 1 . 1 1 48 48 ASP HA H 48 4.384 4.384 4.513 -0.129 19367 215 1 1 . 1 1 48 48 ASP CA C 48 57.268 57.268 56.613 0.655 19367 216 1 1 . 1 1 48 48 ASP CB C 48 40.657 40.657 40.901 -0.244 19367 217 1 1 . 1 1 48 48 ASP H H 48 7.473 7.473 7.451 0.022 19367 218 1 1 . 1 1 49 49 VAL N N 49 121.848 121.848 120.003 1.845 19367 219 1 1 . 1 1 49 49 VAL HA H 49 3.364 3.364 3.657 -0.293 19367 220 1 1 . 1 1 49 49 VAL CA C 49 66.354 66.354 65.761 0.593 19367 221 1 1 . 1 1 49 49 VAL CB C 49 30.961 30.961 31.766 -0.805 19367 222 1 1 . 1 1 49 49 VAL H H 49 7.600 7.600 7.738 -0.138 19367 223 1 1 . 1 1 50 50 VAL N N 50 119.961 119.961 120.191 -0.230 19367 224 1 1 . 1 1 50 50 VAL HA H 50 3.176 3.176 3.569 -0.393 19367 225 1 1 . 1 1 50 50 VAL CA C 50 67.270 67.270 66.613 0.657 19367 226 1 1 . 1 1 50 50 VAL CB C 50 31.662 31.662 31.628 0.034 19367 227 1 1 . 1 1 50 50 VAL H H 50 8.567 8.567 8.437 0.130 19367 228 1 1 . 1 1 51 51 GLN N N 51 116.203 116.203 118.593 -2.390 19367 229 1 1 . 1 1 51 51 GLN HA H 51 4.204 4.204 4.260 -0.056 19367 230 1 1 . 1 1 51 51 GLN CA C 51 59.334 59.334 58.571 0.763 19367 231 1 1 . 1 1 51 51 GLN CB C 51 28.717 28.717 28.480 0.236 19367 232 1 1 . 1 1 51 51 GLN H H 51 7.802 7.802 7.720 0.082 19367 233 1 1 . 1 1 52 52 GLU N N 52 119.616 119.616 119.909 -0.293 19367 234 1 1 . 1 1 52 52 GLU HA H 52 4.085 4.085 4.191 -0.106 19367 235 1 1 . 1 1 52 52 GLU CA C 52 59.267 59.267 58.430 0.837 19367 236 1 1 . 1 1 52 52 GLU CB C 52 29.178 29.178 29.537 -0.359 19367 237 1 1 . 1 1 52 52 GLU H H 52 7.880 7.880 7.684 0.196 19367 238 1 1 . 1 1 53 53 ALA N N 53 120.964 120.964 122.024 -1.060 19367 239 1 1 . 1 1 53 53 ALA HA H 53 3.713 3.713 4.112 -0.399 19367 240 1 1 . 1 1 53 53 ALA CA C 53 55.176 55.176 54.394 0.782 19367 241 1 1 . 1 1 53 53 ALA CB C 53 16.573 16.573 18.308 -1.735 19367 242 1 1 . 1 1 53 53 ALA H H 53 8.381 8.381 7.410 0.971 19367 243 1 1 . 1 1 54 54 PHE N N 54 113.370 113.370 117.433 -4.063 19367 244 1 1 . 1 1 54 54 PHE HA H 54 4.329 4.329 4.569 -0.240 19367 245 1 1 . 1 1 54 54 PHE CA C 54 63.496 63.496 61.187 2.309 19367 246 1 1 . 1 1 54 54 PHE CB C 54 39.097 39.097 39.269 -0.172 19367 247 1 1 . 1 1 54 54 PHE H H 54 7.942 7.942 7.779 0.163 19367 248 1 1 . 1 1 55 55 ILE N N 55 121.983 121.983 120.187 1.796 19367 249 1 1 . 1 1 55 55 ILE HA H 55 3.946 3.946 3.933 0.013 19367 250 1 1 . 1 1 55 55 ILE CA C 55 64.969 64.969 63.513 1.456 19367 251 1 1 . 1 1 55 55 ILE CB C 55 37.589 37.589 37.693 -0.104 19367 252 1 1 . 1 1 55 55 ILE H H 55 8.373 8.373 7.839 0.534 19367 253 1 1 . 1 1 56 56 LYS N N 56 120.661 120.661 120.701 -0.040 19367 254 1 1 . 1 1 56 56 LYS HA H 56 3.860 3.860 4.142 -0.282 19367 255 1 1 . 1 1 56 56 LYS CA C 56 59.835 59.835 58.464 1.371 19367 256 1 1 . 1 1 56 56 LYS CB C 56 31.904 31.904 31.994 -0.090 19367 257 1 1 . 1 1 56 56 LYS H H 56 8.318 8.318 7.840 0.478 19367 258 1 1 . 1 1 57 57 ALA N N 57 119.884 119.884 121.817 -1.933 19367 259 1 1 . 1 1 57 57 ALA HA H 57 3.784 3.784 4.268 -0.484 19367 260 1 1 . 1 1 57 57 ALA CA C 57 54.552 54.552 54.565 -0.013 19367 261 1 1 . 1 1 57 57 ALA CB C 57 18.251 18.251 18.495 -0.244 19367 262 1 1 . 1 1 57 57 ALA H H 57 7.937 7.937 7.537 0.400 19367 263 1 1 . 1 1 58 58 TYR N N 58 116.541 116.541 120.076 -3.535 19367 264 1 1 . 1 1 58 58 TYR HA H 58 3.549 3.549 3.535 0.014 19367 265 1 1 . 1 1 58 58 TYR CA C 58 61.528 61.528 61.041 0.487 19367 266 1 1 . 1 1 58 58 TYR CB C 58 37.885 37.885 38.366 -0.481 19367 267 1 1 . 1 1 58 58 TYR H H 58 8.404 8.404 8.115 0.289 19367 268 1 1 . 1 1 59 59 ARG N N 59 116.321 116.321 116.094 0.227 19367 269 1 1 . 1 1 59 59 ARG HA H 59 3.791 3.791 4.118 -0.327 19367 270 1 1 . 1 1 59 59 ARG CA C 59 58.500 58.500 56.787 1.713 19367 271 1 1 . 1 1 59 59 ARG CB C 59 30.268 30.268 30.432 -0.164 19367 272 1 1 . 1 1 59 59 ARG H H 59 8.404 8.404 7.720 0.684 19367 273 1 1 . 1 1 60 60 ALA N N 60 118.867 118.867 121.302 -2.435 19367 274 1 1 . 1 1 60 60 ALA HA H 60 4.879 4.879 4.600 0.279 19367 275 1 1 . 1 1 60 60 ALA CA C 60 51.372 51.372 52.027 -0.655 19367 276 1 1 . 1 1 60 60 ALA CB C 60 20.539 20.539 19.891 0.648 19367 277 1 1 . 1 1 60 60 ALA H H 60 7.630 7.630 7.857 -0.227 19367 278 1 1 . 1 1 61 61 LEU N N 61 124.902 124.902 120.886 4.016 19367 279 1 1 . 1 1 61 61 LEU HA H 61 4.094 4.094 4.121 -0.027 19367 280 1 1 . 1 1 61 61 LEU CA C 61 58.442 58.442 57.324 1.118 19367 281 1 1 . 1 1 61 61 LEU CB C 61 42.290 42.290 42.132 0.158 19367 282 1 1 . 1 1 61 61 LEU H H 61 7.598 7.598 8.108 -0.510 19367 283 1 1 . 1 1 62 62 ASP N N 62 117.094 117.094 118.585 -1.491 19367 284 1 1 . 1 1 62 62 ASP HA H 62 4.345 4.345 4.519 -0.173 19367 285 1 1 . 1 1 62 62 ASP CA C 62 56.690 56.690 55.848 0.842 19367 286 1 1 . 1 1 62 62 ASP CB C 62 39.812 39.812 40.576 -0.764 19367 287 1 1 . 1 1 62 62 ASP H H 62 8.686 8.686 8.797 -0.111 19367 288 1 1 . 1 1 63 63 SER N N 63 112.854 112.854 114.872 -2.018 19367 289 1 1 . 1 1 63 63 SER HA H 63 4.554 4.554 4.532 0.022 19367 290 1 1 . 1 1 63 63 SER CA C 63 58.052 58.052 57.328 0.724 19367 291 1 1 . 1 1 63 63 SER CB C 63 64.719 64.719 64.443 0.276 19367 292 1 1 . 1 1 63 63 SER H H 63 7.969 7.969 7.513 0.456 19367 293 1 1 . 1 1 64 64 PHE N N 64 125.623 125.623 123.075 2.548 19367 294 1 1 . 1 1 64 64 PHE HA H 64 4.238 4.238 3.983 0.255 19367 295 1 1 . 1 1 64 64 PHE CA C 64 56.826 56.826 58.461 -1.635 19367 296 1 1 . 1 1 64 64 PHE CB C 64 38.210 38.210 39.425 -1.215 19367 297 1 1 . 1 1 64 64 PHE H H 64 7.383 7.383 7.366 0.017 19367 298 1 1 . 1 1 65 65 ARG N N 65 133.273 133.273 124.491 8.782 19367 299 1 1 . 1 1 65 65 ARG HA H 65 3.861 3.861 4.113 -0.252 19367 300 1 1 . 1 1 65 65 ARG CA C 65 57.826 57.826 55.602 2.224 19367 301 1 1 . 1 1 65 65 ARG CB C 65 31.054 31.054 30.637 0.417 19367 302 1 1 . 1 1 65 65 ARG H H 65 10.968 10.968 7.925 3.043 19367 303 1 1 . 1 1 66 66 GLY N N 66 103.283 103.283 106.687 -3.404 19367 304 1 1 . 1 1 66 66 GLY CA C 66 46.309 46.309 44.736 1.573 19367 305 1 1 . 1 1 66 66 GLY H H 66 5.673 5.673 6.237 -0.564 19367 306 1 1 . 1 1 67 67 ASP N N 67 120.001 120.001 118.917 1.084 19367 307 1 1 . 1 1 67 67 ASP HA H 67 4.551 4.551 4.514 0.037 19367 308 1 1 . 1 1 67 67 ASP CA C 67 55.488 55.488 55.000 0.488 19367 309 1 1 . 1 1 67 67 ASP CB C 67 40.655 40.655 40.870 -0.214 19367 310 1 1 . 1 1 67 67 ASP H H 67 7.960 7.960 8.109 -0.149 19367 311 1 1 . 1 1 68 68 SER N N 68 110.787 110.787 112.119 -1.332 19367 312 1 1 . 1 1 68 68 SER HA H 68 4.633 4.633 4.646 -0.013 19367 313 1 1 . 1 1 68 68 SER CA C 68 56.762 56.762 57.565 -0.802 19367 314 1 1 . 1 1 68 68 SER CB C 68 67.439 67.439 65.018 2.421 19367 315 1 1 . 1 1 68 68 SER H H 68 7.692 7.692 7.408 0.284 19367 316 1 1 . 1 1 69 69 ALA N N 69 122.464 122.464 123.984 -1.520 19367 317 1 1 . 1 1 69 69 ALA HA H 69 4.692 4.692 4.419 0.273 19367 318 1 1 . 1 1 69 69 ALA CA C 69 52.674 52.674 52.709 -0.035 19367 319 1 1 . 1 1 69 69 ALA CB C 69 18.751 18.751 19.565 -0.814 19367 320 1 1 . 1 1 69 69 ALA H H 69 9.726 9.726 8.679 1.047 19367 321 1 1 . 1 1 70 70 PHE N N 70 127.188 127.188 122.234 4.954 19367 322 1 1 . 1 1 70 70 PHE HA H 70 4.085 4.085 4.164 -0.079 19367 323 1 1 . 1 1 70 70 PHE CA C 70 62.108 62.108 61.363 0.745 19367 324 1 1 . 1 1 70 70 PHE CB C 70 39.054 39.054 39.727 -0.673 19367 325 1 1 . 1 1 70 70 PHE H H 70 9.774 9.774 8.896 0.878 19367 326 1 1 . 1 1 71 71 TYR N N 71 117.533 117.533 118.214 -0.681 19367 327 1 1 . 1 1 71 71 TYR HA H 71 3.449 3.449 3.890 -0.441 19367 328 1 1 . 1 1 71 71 TYR CA C 71 61.684 61.684 61.029 0.655 19367 329 1 1 . 1 1 71 71 TYR CB C 71 37.072 37.072 37.789 -0.717 19367 330 1 1 . 1 1 71 71 TYR H H 71 9.720 9.720 8.781 0.939 19367 331 1 1 . 1 1 72 72 THR N N 72 114.574 114.574 116.786 -2.212 19367 332 1 1 . 1 1 72 72 THR HA H 72 5.436 5.436 3.919 1.517 19367 333 1 1 . 1 1 72 72 THR CA C 72 63.426 63.426 67.517 -4.091 19367 334 1 1 . 1 1 72 72 THR CB C 72 68.762 68.762 68.364 0.398 19367 335 1 1 . 1 1 72 72 THR H H 72 6.675 6.675 7.786 -1.111 19367 336 1 1 . 1 1 73 73 TRP N N 73 123.561 123.561 122.317 1.244 19367 337 1 1 . 1 1 73 73 TRP HA H 73 3.956 3.956 4.553 -0.597 19367 338 1 1 . 1 1 73 73 TRP CA C 73 62.112 62.112 60.075 2.037 19367 339 1 1 . 1 1 73 73 TRP CB C 73 28.971 28.971 29.554 -0.583 19367 340 1 1 . 1 1 73 73 TRP H H 73 6.924 6.924 7.312 -0.388 19367 341 1 1 . 1 1 74 74 LEU N N 74 118.760 118.760 121.258 -2.498 19367 342 1 1 . 1 1 74 74 LEU HA H 74 2.960 2.960 3.343 -0.383 19367 343 1 1 . 1 1 74 74 LEU CA C 74 57.105 57.105 56.855 0.251 19367 344 1 1 . 1 1 74 74 LEU CB C 74 41.503 41.503 41.366 0.137 19367 345 1 1 . 1 1 74 74 LEU H H 74 7.903 7.903 7.729 0.174 19367 346 1 1 . 1 1 75 75 TYR N N 75 119.616 119.616 118.669 0.947 19367 347 1 1 . 1 1 75 75 TYR HA H 75 2.928 2.928 3.724 -0.796 19367 348 1 1 . 1 1 75 75 TYR CA C 75 60.187 60.187 61.307 -1.120 19367 349 1 1 . 1 1 75 75 TYR CB C 75 37.987 37.987 38.076 -0.089 19367 350 1 1 . 1 1 75 75 TYR H H 75 8.717 8.717 8.082 0.635 19367 351 1 1 . 1 1 76 76 ARG N N 76 116.789 116.789 117.177 -0.388 19367 352 1 1 . 1 1 76 76 ARG HA H 76 3.634 3.634 4.052 -0.418 19367 353 1 1 . 1 1 76 76 ARG CA C 76 56.003 56.003 58.028 -2.025 19367 354 1 1 . 1 1 76 76 ARG CB C 76 27.476 27.476 29.672 -2.196 19367 355 1 1 . 1 1 76 76 ARG H H 76 6.809 6.809 7.471 -0.662 19367 356 1 1 . 1 1 77 77 ILE N N 77 117.721 117.721 119.655 -1.934 19367 357 1 1 . 1 1 77 77 ILE HA H 77 2.853 2.853 3.605 -0.752 19367 358 1 1 . 1 1 77 77 ILE CA C 77 65.599 65.599 64.413 1.186 19367 359 1 1 . 1 1 77 77 ILE CB C 77 36.937 36.937 37.197 -0.260 19367 360 1 1 . 1 1 77 77 ILE H H 77 7.316 7.316 7.235 0.081 19367 361 1 1 . 1 1 78 78 ALA N N 78 125.528 125.528 122.997 2.531 19367 362 1 1 . 1 1 78 78 ALA HA H 78 3.369 3.369 3.840 -0.471 19367 363 1 1 . 1 1 78 78 ALA CA C 78 55.876 55.876 54.924 0.952 19367 364 1 1 . 1 1 78 78 ALA CB C 78 17.833 17.833 18.119 -0.286 19367 365 1 1 . 1 1 78 78 ALA H H 78 8.788 8.788 7.938 0.850 19367 366 1 1 . 1 1 79 79 VAL N N 79 117.392 117.392 117.913 -0.521 19367 367 1 1 . 1 1 79 79 VAL HA H 79 2.819 2.819 3.508 -0.689 19367 368 1 1 . 1 1 79 79 VAL CA C 79 67.174 67.174 64.925 2.249 19367 369 1 1 . 1 1 79 79 VAL CB C 79 31.642 31.642 31.400 0.242 19367 370 1 1 . 1 1 79 79 VAL H H 79 8.046 8.046 7.710 0.336 19367 371 1 1 . 1 1 80 80 ASN N N 80 117.152 117.152 117.494 -0.342 19367 372 1 1 . 1 1 80 80 ASN HA H 80 4.368 4.368 4.494 -0.126 19367 373 1 1 . 1 1 80 80 ASN CA C 80 55.630 55.630 55.338 0.292 19367 374 1 1 . 1 1 80 80 ASN CB C 80 36.752 36.752 38.019 -1.267 19367 375 1 1 . 1 1 80 80 ASN H H 80 8.146 8.146 7.697 0.449 19367 376 1 1 . 1 1 81 81 THR N N 81 119.140 119.140 117.805 1.335 19367 377 1 1 . 1 1 81 81 THR HA H 81 3.795 3.795 4.038 -0.243 19367 378 1 1 . 1 1 81 81 THR CA C 81 67.441 67.441 66.690 0.751 19367 379 1 1 . 1 1 81 81 THR CB C 81 68.102 68.102 68.546 -0.444 19367 380 1 1 . 1 1 81 81 THR H H 81 8.320 8.320 8.055 0.265 19367 381 1 1 . 1 1 82 82 ALA N N 82 124.957 124.957 123.275 1.682 19367 382 1 1 . 1 1 82 82 ALA HA H 82 3.789 3.789 4.047 -0.258 19367 383 1 1 . 1 1 82 82 ALA CA C 82 55.415 55.415 54.771 0.644 19367 384 1 1 . 1 1 82 82 ALA CB C 82 18.020 18.020 18.366 -0.346 19367 385 1 1 . 1 1 82 82 ALA H H 82 8.037 8.037 7.728 0.309 19367 386 1 1 . 1 1 83 83 LYS N N 83 116.190 116.190 116.894 -0.704 19367 387 1 1 . 1 1 83 83 LYS HA H 83 3.815 3.815 4.060 -0.245 19367 388 1 1 . 1 1 83 83 LYS CA C 83 60.160 60.160 58.965 1.195 19367 389 1 1 . 1 1 83 83 LYS CB C 83 32.312 32.312 32.367 -0.055 19367 390 1 1 . 1 1 83 83 LYS H H 83 8.314 8.314 7.935 0.379 19367 391 1 1 . 1 1 84 84 ASN N N 84 117.083 117.083 118.185 -1.102 19367 392 1 1 . 1 1 84 84 ASN HA H 84 4.486 4.486 4.533 -0.047 19367 393 1 1 . 1 1 84 84 ASN CA C 84 55.213 55.213 55.170 0.043 19367 394 1 1 . 1 1 84 84 ASN CB C 84 38.461 38.461 38.198 0.263 19367 395 1 1 . 1 1 84 84 ASN H H 84 8.004 8.004 7.952 0.052 19367 396 1 1 . 1 1 85 85 TYR N N 85 122.935 122.935 121.577 1.358 19367 397 1 1 . 1 1 85 85 TYR HA H 85 4.147 4.147 4.294 -0.147 19367 398 1 1 . 1 1 85 85 TYR CA C 85 61.408 61.408 61.237 0.171 19367 399 1 1 . 1 1 85 85 TYR CB C 85 38.428 38.428 38.695 -0.267 19367 400 1 1 . 1 1 85 85 TYR H H 85 7.935 7.935 7.531 0.404 19367 401 1 1 . 1 1 86 86 LEU N N 86 119.119 119.119 117.938 1.181 19367 402 1 1 . 1 1 86 86 LEU HA H 86 3.998 3.998 3.916 0.082 19367 403 1 1 . 1 1 86 86 LEU CA C 86 57.647 57.647 57.313 0.334 19367 404 1 1 . 1 1 86 86 LEU CB C 86 41.906 41.906 42.100 -0.194 19367 405 1 1 . 1 1 86 86 LEU H H 86 7.810 7.810 7.546 0.264 19367 406 1 1 . 1 1 87 87 VAL N N 87 118.991 118.991 112.227 6.764 19367 407 1 1 . 1 1 87 87 VAL HA H 87 3.806 3.806 3.986 -0.180 19367 408 1 1 . 1 1 87 87 VAL CA C 87 64.989 64.989 63.694 1.295 19367 409 1 1 . 1 1 87 87 VAL CB C 87 32.126 32.126 31.589 0.537 19367 410 1 1 . 1 1 87 87 VAL H H 87 7.701 7.701 7.383 0.318 19367 411 1 1 . 1 1 88 88 ALA N N 88 123.643 123.643 122.227 1.416 19367 412 1 1 . 1 1 88 88 ALA HA H 88 4.088 4.088 4.097 -0.009 19367 413 1 1 . 1 1 88 88 ALA CA C 88 54.188 54.188 54.638 -0.450 19367 414 1 1 . 1 1 88 88 ALA CB C 88 18.460 18.460 18.423 0.037 19367 415 1 1 . 1 1 88 88 ALA H H 88 7.978 7.978 7.545 0.433 19367 416 1 1 . 1 1 89 89 GLN N N 89 116.659 116.659 116.012 0.647 19367 417 1 1 . 1 1 89 89 GLN HA H 89 4.024 4.024 4.300 -0.276 19367 418 1 1 . 1 1 89 89 GLN CA C 89 56.818 56.818 56.540 0.278 19367 419 1 1 . 1 1 89 89 GLN CB C 89 28.776 28.776 29.371 -0.595 19367 420 1 1 . 1 1 89 89 GLN H H 89 7.974 7.974 7.717 0.257 19367 421 1 1 . 1 1 90 90 GLY N N 90 107.464 107.464 108.117 -0.653 19367 422 1 1 . 1 1 90 90 GLY CA C 90 45.782 45.782 45.597 0.185 19367 423 1 1 . 1 1 90 90 GLY H H 90 7.967 7.967 7.691 0.276 19367 424 1 1 . 1 1 91 91 ARG N N 91 119.736 119.736 118.894 0.842 19367 425 1 1 . 1 1 91 91 ARG HA H 91 4.299 4.299 4.535 -0.236 19367 426 1 1 . 1 1 91 91 ARG CA C 91 56.216 56.216 55.613 0.603 19367 427 1 1 . 1 1 91 91 ARG CB C 91 30.805 30.805 29.244 1.561 19367 428 1 1 . 1 1 91 91 ARG H H 91 7.824 7.824 7.485 0.339 19367 429 1 1 . 1 1 92 92 ARG N N 92 120.592 120.592 121.302 -0.710 19367 430 1 1 . 1 1 92 92 ARG HA H 92 4.270 4.270 4.146 0.124 19367 431 1 1 . 1 1 92 92 ARG CA C 92 56.451 56.451 58.570 -2.119 19367 432 1 1 . 1 1 92 92 ARG CB C 92 30.658 30.658 30.316 0.343 19367 433 1 1 . 1 1 92 92 ARG H H 92 8.038 8.038 7.745 0.293 19367 434 1 1 . 1 1 93 93 LEU N N 93 122.274 122.274 112.561 9.713 19367 435 1 1 . 1 1 93 93 LEU HA H 93 4.258 4.258 4.769 -0.511 19367 436 1 1 . 1 1 93 93 LEU CA C 93 55.463 55.463 55.041 0.422 19367 437 1 1 . 1 1 93 93 LEU CB C 93 42.203 42.203 42.344 -0.141 19367 438 1 1 . 1 1 93 93 LEU H H 93 8.147 8.147 7.625 0.522 19367 439 1 1 . 1 1 94 94 GLU N N 94 120.794 120.794 119.975 0.819 19367 440 1 1 . 1 1 94 94 GLU HA H 94 4.249 4.249 4.381 -0.132 19367 441 1 1 . 1 1 94 94 GLU CA C 94 56.557 56.557 56.858 -0.301 19367 442 1 1 . 1 1 94 94 GLU CB C 94 30.103 30.103 30.989 -0.886 19367 443 1 1 . 1 1 94 94 GLU H H 94 8.241 8.241 8.126 0.115 19367 444 1 1 . 1 1 95 95 LEU N N 95 122.290 122.290 119.269 3.021 19367 445 1 1 . 1 1 95 95 LEU HA H 95 4.312 4.312 4.448 -0.136 19367 446 1 1 . 1 1 95 95 LEU CA C 95 55.080 55.080 55.507 -0.427 19367 447 1 1 . 1 1 95 95 LEU CB C 95 42.130 42.130 43.801 -1.671 19367 448 1 1 . 1 1 95 95 LEU H H 95 8.068 8.068 7.714 0.354 19367 449 1 2 . 1 1 4 4 GLN N N 4 121.848 121.848 118.506 3.342 19367 450 1 2 . 1 1 4 4 GLN HA H 4 4.307 4.307 4.512 -0.205 19367 451 1 2 . 1 1 4 4 GLN CA C 4 55.724 55.724 54.285 1.439 19367 452 1 2 . 1 1 4 4 GLN CB C 4 29.297 29.297 31.472 -2.175 19367 453 1 2 . 1 1 4 4 GLN H H 4 8.500 8.500 7.536 0.964 19367 454 1 2 . 1 1 5 5 LEU N N 5 124.347 124.347 123.473 0.874 19367 455 1 2 . 1 1 5 5 LEU HA H 5 4.548 4.548 4.368 0.180 19367 456 1 2 . 1 1 5 5 LEU CA C 5 53.785 53.785 54.736 -0.951 19367 457 1 2 . 1 1 5 5 LEU CB C 5 41.886 41.886 39.851 2.035 19367 458 1 2 . 1 1 5 5 LEU H H 5 8.565 8.565 8.654 -0.089 19367 459 1 2 . 1 1 6 6 THR N N 6 114.442 114.442 113.612 0.830 19367 460 1 2 . 1 1 6 6 THR HA H 6 4.353 4.353 4.369 -0.016 19367 461 1 2 . 1 1 6 6 THR CA C 6 61.195 61.195 60.459 0.736 19367 462 1 2 . 1 1 6 6 THR CB C 6 70.541 70.541 70.767 -0.226 19367 463 1 2 . 1 1 6 6 THR H H 6 7.950 7.950 7.762 0.188 19367 464 1 2 . 1 1 7 7 ASP N N 7 120.959 120.959 118.433 2.526 19367 465 1 2 . 1 1 7 7 ASP HA H 7 4.197 4.197 4.292 -0.095 19367 466 1 2 . 1 1 7 7 ASP CA C 7 57.820 57.820 57.088 0.732 19367 467 1 2 . 1 1 7 7 ASP CB C 7 39.621 39.621 39.930 -0.309 19367 468 1 2 . 1 1 7 7 ASP H H 7 9.008 9.008 8.994 0.014 19367 469 1 2 . 1 1 8 8 GLN N N 8 116.649 116.649 119.554 -2.905 19367 470 1 2 . 1 1 8 8 GLN HA H 8 4.012 4.012 4.211 -0.199 19367 471 1 2 . 1 1 8 8 GLN CA C 8 59.746 59.746 58.607 1.139 19367 472 1 2 . 1 1 8 8 GLN CB C 8 28.188 28.188 29.234 -1.046 19367 473 1 2 . 1 1 8 8 GLN H H 8 8.561 8.561 7.582 0.979 19367 474 1 2 . 1 1 9 9 VAL N N 9 120.579 120.579 117.187 3.392 19367 475 1 2 . 1 1 9 9 VAL HA H 9 3.760 3.760 4.027 -0.267 19367 476 1 2 . 1 1 9 9 VAL CA C 9 66.108 66.108 64.923 1.185 19367 477 1 2 . 1 1 9 9 VAL CB C 9 31.558 31.558 31.329 0.229 19367 478 1 2 . 1 1 9 9 VAL H H 9 7.450 7.450 7.560 -0.110 19367 479 1 2 . 1 1 10 10 LEU N N 10 119.806 119.806 121.766 -1.960 19367 480 1 2 . 1 1 10 10 LEU HA H 10 3.917 3.917 4.211 -0.294 19367 481 1 2 . 1 1 10 10 LEU CA C 10 58.415 58.415 57.692 0.723 19367 482 1 2 . 1 1 10 10 LEU CB C 10 41.299 41.299 41.676 -0.377 19367 483 1 2 . 1 1 10 10 LEU H H 10 7.865 7.865 7.691 0.174 19367 484 1 2 . 1 1 11 11 VAL N N 11 119.041 119.041 119.000 0.041 19367 485 1 2 . 1 1 11 11 VAL HA H 11 3.280 3.280 3.594 -0.314 19367 486 1 2 . 1 1 11 11 VAL CA C 11 67.631 67.631 66.668 0.963 19367 487 1 2 . 1 1 11 11 VAL CB C 11 31.723 31.723 31.454 0.269 19367 488 1 2 . 1 1 11 11 VAL H H 11 8.734 8.734 7.685 1.049 19367 489 1 2 . 1 1 12 12 GLU N N 12 119.018 119.018 118.724 0.294 19367 490 1 2 . 1 1 12 12 GLU HA H 12 4.110 4.110 4.108 0.002 19367 491 1 2 . 1 1 12 12 GLU CA C 12 59.514 59.514 58.688 0.826 19367 492 1 2 . 1 1 12 12 GLU CB C 12 28.603 28.603 29.151 -0.548 19367 493 1 2 . 1 1 12 12 GLU H H 12 7.802 7.802 7.682 0.120 19367 494 1 2 . 1 1 13 13 ARG N N 13 117.242 117.242 119.962 -2.720 19367 495 1 2 . 1 1 13 13 ARG HA H 13 4.011 4.011 4.170 -0.159 19367 496 1 2 . 1 1 13 13 ARG CA C 13 60.016 60.016 58.978 1.038 19367 497 1 2 . 1 1 13 13 ARG CB C 13 27.737 27.737 30.180 -2.443 19367 498 1 2 . 1 1 13 13 ARG H H 13 8.107 8.107 7.693 0.414 19367 499 1 2 . 1 1 14 14 VAL N N 14 121.430 121.430 119.568 1.862 19367 500 1 2 . 1 1 14 14 VAL HA H 14 3.767 3.767 4.140 -0.373 19367 501 1 2 . 1 1 14 14 VAL CA C 14 66.462 66.462 65.549 0.913 19367 502 1 2 . 1 1 14 14 VAL CB C 14 31.616 31.616 32.054 -0.438 19367 503 1 2 . 1 1 14 14 VAL H H 14 8.435 8.435 7.547 0.888 19367 504 1 2 . 1 1 15 15 GLN N N 15 120.667 120.667 119.234 1.433 19367 505 1 2 . 1 1 15 15 GLN HA H 15 4.088 4.088 4.086 0.002 19367 506 1 2 . 1 1 15 15 GLN CA C 15 58.628 58.628 58.262 0.366 19367 507 1 2 . 1 1 15 15 GLN CB C 15 27.995 27.995 28.299 -0.304 19367 508 1 2 . 1 1 15 15 GLN H H 15 8.670 8.670 7.782 0.888 19367 509 1 2 . 1 1 16 16 LYS N N 16 116.797 116.797 118.729 -1.932 19367 510 1 2 . 1 1 16 16 LYS HA H 16 4.374 4.374 4.261 0.113 19367 511 1 2 . 1 1 16 16 LYS CA C 16 56.278 56.278 56.287 -0.009 19367 512 1 2 . 1 1 16 16 LYS CB C 16 32.299 32.299 32.807 -0.508 19367 513 1 2 . 1 1 16 16 LYS H H 16 7.700 7.700 7.728 -0.028 19367 514 1 2 . 1 1 17 17 GLY N N 17 107.001 107.001 107.551 -0.550 19367 515 1 2 . 1 1 17 17 GLY CA C 17 45.608 45.608 44.916 0.693 19367 516 1 2 . 1 1 17 17 GLY H H 17 7.927 7.927 7.754 0.173 19367 517 1 2 . 1 1 18 18 ASP N N 18 121.666 121.666 121.554 0.112 19367 518 1 2 . 1 1 18 18 ASP HA H 18 4.769 4.769 4.741 0.028 19367 519 1 2 . 1 1 18 18 ASP CA C 18 52.999 52.999 53.480 -0.481 19367 520 1 2 . 1 1 18 18 ASP CB C 18 40.814 40.814 41.526 -0.712 19367 521 1 2 . 1 1 18 18 ASP H H 18 8.255 8.255 7.560 0.695 19367 522 1 2 . 1 1 19 19 GLN N N 19 124.874 124.874 126.521 -1.647 19367 523 1 2 . 1 1 19 19 GLN HA H 19 4.150 4.150 4.322 -0.172 19367 524 1 2 . 1 1 19 19 GLN CA C 19 58.922 58.922 57.937 0.986 19367 525 1 2 . 1 1 19 19 GLN CB C 19 28.759 28.759 28.854 -0.095 19367 526 1 2 . 1 1 19 19 GLN H H 19 8.392 8.392 8.720 -0.328 19367 527 1 2 . 1 1 20 20 LYS N N 20 119.006 119.006 119.031 -0.025 19367 528 1 2 . 1 1 20 20 LYS HA H 20 4.118 4.118 4.128 -0.010 19367 529 1 2 . 1 1 20 20 LYS CA C 20 58.642 58.642 58.492 0.150 19367 530 1 2 . 1 1 20 20 LYS CB C 20 31.678 31.678 31.999 -0.321 19367 531 1 2 . 1 1 20 20 LYS H H 20 8.348 8.348 8.362 -0.014 19367 532 1 2 . 1 1 21 21 ALA N N 21 121.687 121.687 121.310 0.377 19367 533 1 2 . 1 1 21 21 ALA HA H 21 4.010 4.010 4.209 -0.199 19367 534 1 2 . 1 1 21 21 ALA CA C 21 54.485 54.485 54.569 -0.084 19367 535 1 2 . 1 1 21 21 ALA CB C 21 18.634 18.634 18.267 0.367 19367 536 1 2 . 1 1 21 21 ALA H H 21 7.500 7.500 7.801 -0.301 19367 537 1 2 . 1 1 22 22 PHE N N 22 117.219 117.219 119.364 -2.145 19367 538 1 2 . 1 1 22 22 PHE HA H 22 3.994 3.994 4.226 -0.232 19367 539 1 2 . 1 1 22 22 PHE CA C 22 61.907 61.907 60.784 1.123 19367 540 1 2 . 1 1 22 22 PHE CB C 22 38.571 38.571 39.593 -1.022 19367 541 1 2 . 1 1 22 22 PHE H H 22 7.810 7.810 7.667 0.143 19367 542 1 2 . 1 1 23 23 ASN N N 23 115.600 115.600 118.774 -3.174 19367 543 1 2 . 1 1 23 23 ASN HA H 23 4.163 4.163 4.245 -0.082 19367 544 1 2 . 1 1 23 23 ASN CA C 23 56.264 56.264 56.597 -0.333 19367 545 1 2 . 1 1 23 23 ASN CB C 23 38.131 38.131 38.500 -0.369 19367 546 1 2 . 1 1 23 23 ASN H H 23 7.711 7.711 8.297 -0.586 19367 547 1 2 . 1 1 24 24 LEU N N 24 117.605 117.605 119.149 -1.544 19367 548 1 2 . 1 1 24 24 LEU HA H 24 3.999 3.999 4.139 -0.140 19367 549 1 2 . 1 1 24 24 LEU CA C 24 57.811 57.811 56.945 0.866 19367 550 1 2 . 1 1 24 24 LEU CB C 24 41.367 41.367 40.955 0.413 19367 551 1 2 . 1 1 24 24 LEU H H 24 7.344 7.344 7.561 -0.217 19367 552 1 2 . 1 1 25 25 LEU N N 25 120.426 120.426 120.781 -0.355 19367 553 1 2 . 1 1 25 25 LEU HA H 25 3.938 3.938 4.051 -0.113 19367 554 1 2 . 1 1 25 25 LEU CA C 25 57.863 57.863 57.456 0.407 19367 555 1 2 . 1 1 25 25 LEU CB C 25 41.479 41.479 41.477 0.002 19367 556 1 2 . 1 1 25 25 LEU H H 25 7.036 7.036 7.211 -0.175 19367 557 1 2 . 1 1 26 26 VAL N N 26 119.676 119.676 119.529 0.147 19367 558 1 2 . 1 1 26 26 VAL HA H 26 2.857 2.857 2.652 0.205 19367 559 1 2 . 1 1 26 26 VAL CA C 26 65.821 65.821 66.554 -0.733 19367 560 1 2 . 1 1 26 26 VAL CB C 26 30.816 30.816 31.093 -0.277 19367 561 1 2 . 1 1 26 26 VAL H H 26 7.369 7.369 7.533 -0.164 19367 562 1 2 . 1 1 27 27 VAL N N 27 117.098 117.098 117.699 -0.601 19367 563 1 2 . 1 1 27 27 VAL HA H 27 3.542 3.542 3.483 0.059 19367 564 1 2 . 1 1 27 27 VAL CA C 27 65.837 65.837 65.557 0.280 19367 565 1 2 . 1 1 27 27 VAL CB C 27 31.728 31.728 31.246 0.482 19367 566 1 2 . 1 1 27 27 VAL H H 27 7.816 7.816 7.477 0.339 19367 567 1 2 . 1 1 28 28 ARG N N 28 118.592 118.592 119.309 -0.717 19367 568 1 2 . 1 1 28 28 ARG HA H 28 3.838 3.838 3.942 -0.104 19367 569 1 2 . 1 1 28 28 ARG CA C 28 59.356 59.356 58.550 0.806 19367 570 1 2 . 1 1 28 28 ARG CB C 28 31.069 31.069 30.179 0.890 19367 571 1 2 . 1 1 28 28 ARG H H 28 7.491 7.491 7.375 0.116 19367 572 1 2 . 1 1 29 29 TYR N N 29 112.635 112.635 115.998 -3.363 19367 573 1 2 . 1 1 29 29 TYR HA H 29 4.945 4.945 4.863 0.082 19367 574 1 2 . 1 1 29 29 TYR CA C 29 60.438 60.438 57.787 2.651 19367 575 1 2 . 1 1 29 29 TYR CB C 29 40.619 40.619 40.281 0.338 19367 576 1 2 . 1 1 29 29 TYR H H 29 7.675 7.675 7.527 0.148 19367 577 1 2 . 1 1 30 30 GLN N N 30 123.043 123.043 121.309 1.734 19367 578 1 2 . 1 1 30 30 GLN HA H 30 4.119 4.119 4.298 -0.179 19367 579 1 2 . 1 1 30 30 GLN CA C 30 61.409 61.409 59.680 1.729 19367 580 1 2 . 1 1 30 30 GLN CB C 30 26.933 26.933 27.818 -0.885 19367 581 1 2 . 1 1 30 30 GLN H H 30 9.056 9.056 8.177 0.879 19367 582 1 2 . 1 1 31 31 HIS N N 31 118.704 118.704 118.096 0.608 19367 583 1 2 . 1 1 31 31 HIS HA H 31 4.435 4.435 4.585 -0.150 19367 584 1 2 . 1 1 31 31 HIS CA C 31 59.580 59.580 58.500 1.080 19367 585 1 2 . 1 1 31 31 HIS CB C 31 29.396 29.396 29.884 -0.488 19367 586 1 2 . 1 1 31 31 HIS H H 31 8.616 8.616 8.318 0.298 19367 587 1 2 . 1 1 32 32 LYS N N 32 122.594 122.594 120.820 1.774 19367 588 1 2 . 1 1 32 32 LYS HA H 32 4.029 4.029 4.223 -0.194 19367 589 1 2 . 1 1 32 32 LYS CA C 32 59.869 59.869 58.994 0.875 19367 590 1 2 . 1 1 32 32 LYS CB C 32 32.580 32.580 32.747 -0.167 19367 591 1 2 . 1 1 32 32 LYS H H 32 7.848 7.848 7.656 0.192 19367 592 1 2 . 1 1 33 33 VAL N N 33 119.621 119.621 119.562 0.059 19367 593 1 2 . 1 1 33 33 VAL HA H 33 3.480 3.480 3.952 -0.472 19367 594 1 2 . 1 1 33 33 VAL CA C 33 66.671 66.671 64.363 2.308 19367 595 1 2 . 1 1 33 33 VAL CB C 33 31.142 31.142 31.533 -0.391 19367 596 1 2 . 1 1 33 33 VAL H H 33 8.653 8.653 8.665 -0.012 19367 597 1 2 . 1 1 34 34 ALA N N 34 122.622 122.622 121.774 0.848 19367 598 1 2 . 1 1 34 34 ALA HA H 34 3.736 3.736 4.123 -0.387 19367 599 1 2 . 1 1 34 34 ALA CA C 34 55.762 55.762 54.932 0.830 19367 600 1 2 . 1 1 34 34 ALA CB C 34 17.681 17.681 18.271 -0.590 19367 601 1 2 . 1 1 34 34 ALA H H 34 8.498 8.498 7.790 0.708 19367 602 1 2 . 1 1 35 35 SER N N 35 113.674 113.674 113.601 0.073 19367 603 1 2 . 1 1 35 35 SER HA H 35 4.040 4.040 4.325 -0.285 19367 604 1 2 . 1 1 35 35 SER CA C 35 61.765 61.765 61.476 0.289 19367 605 1 2 . 1 1 35 35 SER CB C 35 62.766 62.766 63.482 -0.716 19367 606 1 2 . 1 1 35 35 SER H H 35 7.897 7.897 7.691 0.206 19367 607 1 2 . 1 1 36 36 LEU N N 36 123.203 123.203 122.499 0.704 19367 608 1 2 . 1 1 36 36 LEU HA H 36 3.992 3.992 4.295 -0.303 19367 609 1 2 . 1 1 36 36 LEU CA C 36 57.863 57.863 57.475 0.388 19367 610 1 2 . 1 1 36 36 LEU CB C 36 42.718 42.718 41.878 0.840 19367 611 1 2 . 1 1 36 36 LEU H H 36 7.494 7.494 7.300 0.194 19367 612 1 2 . 1 1 37 37 VAL N N 37 114.122 114.122 116.513 -2.391 19367 613 1 2 . 1 1 37 37 VAL HA H 37 3.627 3.627 4.055 -0.428 19367 614 1 2 . 1 1 37 37 VAL CA C 37 65.879 65.879 65.316 0.563 19367 615 1 2 . 1 1 37 37 VAL CB C 37 31.214 31.214 30.488 0.726 19367 616 1 2 . 1 1 37 37 VAL H H 37 8.530 8.530 8.220 0.310 19367 617 1 2 . 1 1 38 38 SER N N 38 116.259 116.259 114.837 1.422 19367 618 1 2 . 1 1 38 38 SER HA H 38 4.276 4.276 4.379 -0.103 19367 619 1 2 . 1 1 38 38 SER CA C 38 60.898 60.898 60.292 0.606 19367 620 1 2 . 1 1 38 38 SER CB C 38 63.143 63.143 63.091 0.052 19367 621 1 2 . 1 1 38 38 SER H H 38 8.136 8.136 7.695 0.441 19367 622 1 2 . 1 1 39 39 ARG N N 39 119.029 119.029 119.221 -0.192 19367 623 1 2 . 1 1 39 39 ARG HA H 39 3.995 3.995 3.978 0.017 19367 624 1 2 . 1 1 39 39 ARG CA C 39 57.640 57.640 57.567 0.073 19367 625 1 2 . 1 1 39 39 ARG CB C 39 29.719 29.719 30.077 -0.358 19367 626 1 2 . 1 1 39 39 ARG H H 39 7.310 7.310 7.335 -0.025 19367 627 1 2 . 1 1 40 40 TYR N N 40 114.123 114.123 115.545 -1.422 19367 628 1 2 . 1 1 40 40 TYR HA H 40 4.472 4.472 4.701 -0.229 19367 629 1 2 . 1 1 40 40 TYR CA C 40 59.298 59.298 57.977 1.321 19367 630 1 2 . 1 1 40 40 TYR CB C 40 42.809 42.809 41.150 1.659 19367 631 1 2 . 1 1 40 40 TYR H H 40 7.786 7.786 7.854 -0.068 19367 632 1 2 . 1 1 41 41 VAL N N 41 112.721 112.721 114.366 -1.645 19367 633 1 2 . 1 1 41 41 VAL HA H 41 4.853 4.853 4.751 0.102 19367 634 1 2 . 1 1 41 41 VAL CA C 41 57.942 57.942 57.987 -0.045 19367 635 1 2 . 1 1 41 41 VAL CB C 41 33.171 33.171 33.390 -0.219 19367 636 1 2 . 1 1 41 41 VAL H H 41 7.388 7.388 7.761 -0.373 19367 637 1 2 . 1 1 42 42 PRO HA H 42 4.415 4.415 4.741 -0.326 19367 638 1 2 . 1 1 42 42 PRO CA C 42 62.645 62.645 62.659 -0.014 19367 639 1 2 . 1 1 42 42 PRO CB C 42 32.603 32.603 32.795 -0.192 19367 640 1 2 . 1 1 43 43 SER N N 43 116.784 116.784 115.621 1.163 19367 641 1 2 . 1 1 43 43 SER HA H 43 4.009 4.009 4.183 -0.174 19367 642 1 2 . 1 1 43 43 SER CA C 43 62.098 62.098 60.258 1.840 19367 643 1 2 . 1 1 43 43 SER CB C 43 62.862 62.862 62.772 0.090 19367 644 1 2 . 1 1 43 43 SER H H 43 8.602 8.602 8.524 0.078 19367 645 1 2 . 1 1 44 44 GLY N N 44 107.756 107.756 107.970 -0.214 19367 646 1 2 . 1 1 44 44 GLY CA C 44 46.503 46.503 45.267 1.236 19367 647 1 2 . 1 1 44 44 GLY H H 44 8.812 8.812 7.993 0.819 19367 648 1 2 . 1 1 45 45 ASP N N 45 117.822 117.822 119.769 -1.947 19367 649 1 2 . 1 1 45 45 ASP HA H 45 4.875 4.875 4.780 0.095 19367 650 1 2 . 1 1 45 45 ASP CA C 45 54.770 54.770 53.677 1.093 19367 651 1 2 . 1 1 45 45 ASP CB C 45 42.593 42.593 42.192 0.401 19367 652 1 2 . 1 1 45 45 ASP H H 45 7.764 7.764 8.010 -0.246 19367 653 1 2 . 1 1 46 46 VAL N N 46 119.385 119.385 121.832 -2.447 19367 654 1 2 . 1 1 46 46 VAL HA H 46 3.233 3.233 3.740 -0.507 19367 655 1 2 . 1 1 46 46 VAL CA C 46 68.546 68.546 68.398 0.148 19367 656 1 2 . 1 1 46 46 VAL CB C 46 29.851 29.851 29.399 0.452 19367 657 1 2 . 1 1 46 46 VAL H H 46 7.148 7.148 7.505 -0.357 19367 658 1 2 . 1 1 47 47 PRO HA H 47 4.113 4.113 4.266 -0.153 19367 659 1 2 . 1 1 47 47 PRO CA C 47 66.527 66.527 65.923 0.604 19367 660 1 2 . 1 1 47 47 PRO CB C 47 28.496 28.496 31.116 -2.620 19367 661 1 2 . 1 1 48 48 ASP N N 48 116.654 116.654 119.334 -2.680 19367 662 1 2 . 1 1 48 48 ASP HA H 48 4.384 4.384 4.531 -0.147 19367 663 1 2 . 1 1 48 48 ASP CA C 48 57.268 57.268 57.289 -0.021 19367 664 1 2 . 1 1 48 48 ASP CB C 48 40.657 40.657 40.712 -0.055 19367 665 1 2 . 1 1 48 48 ASP H H 48 7.473 7.473 7.503 -0.030 19367 666 1 2 . 1 1 49 49 VAL N N 49 121.848 121.848 120.355 1.493 19367 667 1 2 . 1 1 49 49 VAL HA H 49 3.364 3.364 3.694 -0.330 19367 668 1 2 . 1 1 49 49 VAL CA C 49 66.354 66.354 65.388 0.966 19367 669 1 2 . 1 1 49 49 VAL CB C 49 30.961 30.961 31.615 -0.654 19367 670 1 2 . 1 1 49 49 VAL H H 49 7.600 7.600 7.655 -0.055 19367 671 1 2 . 1 1 50 50 VAL N N 50 119.961 119.961 120.141 -0.180 19367 672 1 2 . 1 1 50 50 VAL HA H 50 3.176 3.176 3.557 -0.381 19367 673 1 2 . 1 1 50 50 VAL CA C 50 67.270 67.270 66.525 0.745 19367 674 1 2 . 1 1 50 50 VAL CB C 50 31.662 31.662 31.615 0.047 19367 675 1 2 . 1 1 50 50 VAL H H 50 8.567 8.567 8.443 0.124 19367 676 1 2 . 1 1 51 51 GLN N N 51 116.203 116.203 118.603 -2.400 19367 677 1 2 . 1 1 51 51 GLN HA H 51 4.204 4.204 4.250 -0.046 19367 678 1 2 . 1 1 51 51 GLN CA C 51 59.334 59.334 58.535 0.799 19367 679 1 2 . 1 1 51 51 GLN CB C 51 28.717 28.717 28.486 0.231 19367 680 1 2 . 1 1 51 51 GLN H H 51 7.802 7.802 7.707 0.095 19367 681 1 2 . 1 1 52 52 GLU N N 52 119.616 119.616 119.913 -0.297 19367 682 1 2 . 1 1 52 52 GLU HA H 52 4.085 4.085 4.196 -0.111 19367 683 1 2 . 1 1 52 52 GLU CA C 52 59.267 59.267 58.399 0.868 19367 684 1 2 . 1 1 52 52 GLU CB C 52 29.178 29.178 29.549 -0.371 19367 685 1 2 . 1 1 52 52 GLU H H 52 7.880 7.880 7.692 0.188 19367 686 1 2 . 1 1 53 53 ALA N N 53 120.964 120.964 121.917 -0.953 19367 687 1 2 . 1 1 53 53 ALA HA H 53 3.713 3.713 4.101 -0.388 19367 688 1 2 . 1 1 53 53 ALA CA C 53 55.176 55.176 54.349 0.827 19367 689 1 2 . 1 1 53 53 ALA CB C 53 16.573 16.573 18.285 -1.712 19367 690 1 2 . 1 1 53 53 ALA H H 53 8.381 8.381 7.394 0.987 19367 691 1 2 . 1 1 54 54 PHE N N 54 113.370 113.370 117.540 -4.170 19367 692 1 2 . 1 1 54 54 PHE HA H 54 4.329 4.329 4.534 -0.205 19367 693 1 2 . 1 1 54 54 PHE CA C 54 63.496 63.496 61.085 2.411 19367 694 1 2 . 1 1 54 54 PHE CB C 54 39.097 39.097 39.240 -0.143 19367 695 1 2 . 1 1 54 54 PHE H H 54 7.942 7.942 7.734 0.208 19367 696 1 2 . 1 1 55 55 ILE N N 55 121.983 121.983 119.995 1.988 19367 697 1 2 . 1 1 55 55 ILE HA H 55 3.946 3.946 3.944 0.002 19367 698 1 2 . 1 1 55 55 ILE CA C 55 64.969 64.969 63.491 1.478 19367 699 1 2 . 1 1 55 55 ILE CB C 55 37.589 37.589 37.664 -0.075 19367 700 1 2 . 1 1 55 55 ILE H H 55 8.373 8.373 7.838 0.535 19367 701 1 2 . 1 1 56 56 LYS N N 56 120.661 120.661 120.751 -0.090 19367 702 1 2 . 1 1 56 56 LYS HA H 56 3.860 3.860 4.163 -0.303 19367 703 1 2 . 1 1 56 56 LYS CA C 56 59.835 59.835 58.360 1.475 19367 704 1 2 . 1 1 56 56 LYS CB C 56 31.904 31.904 31.935 -0.031 19367 705 1 2 . 1 1 56 56 LYS H H 56 8.318 8.318 7.818 0.500 19367 706 1 2 . 1 1 57 57 ALA N N 57 119.884 119.884 122.050 -2.166 19367 707 1 2 . 1 1 57 57 ALA HA H 57 3.784 3.784 4.189 -0.405 19367 708 1 2 . 1 1 57 57 ALA CA C 57 54.552 54.552 54.680 -0.128 19367 709 1 2 . 1 1 57 57 ALA CB C 57 18.251 18.251 18.448 -0.197 19367 710 1 2 . 1 1 57 57 ALA H H 57 7.937 7.937 7.523 0.414 19367 711 1 2 . 1 1 58 58 TYR N N 58 116.541 116.541 119.855 -3.314 19367 712 1 2 . 1 1 58 58 TYR HA H 58 3.549 3.549 3.809 -0.260 19367 713 1 2 . 1 1 58 58 TYR CA C 58 61.528 61.528 61.372 0.156 19367 714 1 2 . 1 1 58 58 TYR CB C 58 37.885 37.885 38.459 -0.574 19367 715 1 2 . 1 1 58 58 TYR H H 58 8.404 8.404 8.199 0.205 19367 716 1 2 . 1 1 59 59 ARG N N 59 116.321 116.321 116.925 -0.604 19367 717 1 2 . 1 1 59 59 ARG HA H 59 3.791 3.791 4.123 -0.332 19367 718 1 2 . 1 1 59 59 ARG CA C 59 58.500 58.500 57.476 1.024 19367 719 1 2 . 1 1 59 59 ARG CB C 59 30.268 30.268 30.193 0.075 19367 720 1 2 . 1 1 59 59 ARG H H 59 8.404 8.404 7.798 0.606 19367 721 1 2 . 1 1 60 60 ALA N N 60 118.867 118.867 120.328 -1.461 19367 722 1 2 . 1 1 60 60 ALA HA H 60 4.879 4.879 4.559 0.320 19367 723 1 2 . 1 1 60 60 ALA CA C 60 51.372 51.372 52.017 -0.645 19367 724 1 2 . 1 1 60 60 ALA CB C 60 20.539 20.539 19.894 0.645 19367 725 1 2 . 1 1 60 60 ALA H H 60 7.630 7.630 7.480 0.150 19367 726 1 2 . 1 1 61 61 LEU N N 61 124.902 124.902 121.034 3.868 19367 727 1 2 . 1 1 61 61 LEU HA H 61 4.094 4.094 4.129 -0.035 19367 728 1 2 . 1 1 61 61 LEU CA C 61 58.442 58.442 57.355 1.087 19367 729 1 2 . 1 1 61 61 LEU CB C 61 42.290 42.290 42.159 0.131 19367 730 1 2 . 1 1 61 61 LEU H H 61 7.598 7.598 8.216 -0.618 19367 731 1 2 . 1 1 62 62 ASP N N 62 117.094 117.094 118.892 -1.798 19367 732 1 2 . 1 1 62 62 ASP HA H 62 4.345 4.345 4.511 -0.166 19367 733 1 2 . 1 1 62 62 ASP CA C 62 56.690 56.690 55.908 0.782 19367 734 1 2 . 1 1 62 62 ASP CB C 62 39.812 39.812 40.650 -0.838 19367 735 1 2 . 1 1 62 62 ASP H H 62 8.686 8.686 8.788 -0.102 19367 736 1 2 . 1 1 63 63 SER N N 63 112.854 112.854 114.731 -1.877 19367 737 1 2 . 1 1 63 63 SER HA H 63 4.554 4.554 4.525 0.029 19367 738 1 2 . 1 1 63 63 SER CA C 63 58.052 58.052 57.271 0.781 19367 739 1 2 . 1 1 63 63 SER CB C 63 64.719 64.719 64.501 0.218 19367 740 1 2 . 1 1 63 63 SER H H 63 7.969 7.969 7.482 0.487 19367 741 1 2 . 1 1 64 64 PHE N N 64 125.623 125.623 123.089 2.534 19367 742 1 2 . 1 1 64 64 PHE HA H 64 4.238 4.238 3.970 0.268 19367 743 1 2 . 1 1 64 64 PHE CA C 64 56.826 56.826 58.527 -1.701 19367 744 1 2 . 1 1 64 64 PHE CB C 64 38.210 38.210 39.416 -1.206 19367 745 1 2 . 1 1 64 64 PHE H H 64 7.383 7.383 7.334 0.049 19367 746 1 2 . 1 1 65 65 ARG N N 65 133.273 133.273 123.755 9.518 19367 747 1 2 . 1 1 65 65 ARG HA H 65 3.861 3.861 4.126 -0.265 19367 748 1 2 . 1 1 65 65 ARG CA C 65 57.826 57.826 55.756 2.070 19367 749 1 2 . 1 1 65 65 ARG CB C 65 31.054 31.054 30.544 0.510 19367 750 1 2 . 1 1 65 65 ARG H H 65 10.968 10.968 8.034 2.934 19367 751 1 2 . 1 1 66 66 GLY N N 66 103.283 103.283 106.793 -3.510 19367 752 1 2 . 1 1 66 66 GLY CA C 66 46.309 46.309 44.603 1.706 19367 753 1 2 . 1 1 66 66 GLY H H 66 5.673 5.673 6.295 -0.622 19367 754 1 2 . 1 1 67 67 ASP N N 67 120.001 120.001 119.168 0.833 19367 755 1 2 . 1 1 67 67 ASP HA H 67 4.551 4.551 4.571 -0.020 19367 756 1 2 . 1 1 67 67 ASP CA C 67 55.488 55.488 55.101 0.387 19367 757 1 2 . 1 1 67 67 ASP CB C 67 40.655 40.655 41.057 -0.402 19367 758 1 2 . 1 1 67 67 ASP H H 67 7.960 7.960 8.114 -0.154 19367 759 1 2 . 1 1 68 68 SER N N 68 110.787 110.787 112.200 -1.413 19367 760 1 2 . 1 1 68 68 SER HA H 68 4.633 4.633 4.638 -0.005 19367 761 1 2 . 1 1 68 68 SER CA C 68 56.762 56.762 57.535 -0.773 19367 762 1 2 . 1 1 68 68 SER CB C 68 67.439 67.439 65.027 2.412 19367 763 1 2 . 1 1 68 68 SER H H 68 7.692 7.692 7.399 0.293 19367 764 1 2 . 1 1 69 69 ALA N N 69 122.464 122.464 124.078 -1.614 19367 765 1 2 . 1 1 69 69 ALA HA H 69 4.692 4.692 4.403 0.289 19367 766 1 2 . 1 1 69 69 ALA CA C 69 52.674 52.674 52.773 -0.099 19367 767 1 2 . 1 1 69 69 ALA CB C 69 18.751 18.751 19.550 -0.799 19367 768 1 2 . 1 1 69 69 ALA H H 69 9.726 9.726 8.656 1.070 19367 769 1 2 . 1 1 70 70 PHE N N 70 127.188 127.188 122.284 4.904 19367 770 1 2 . 1 1 70 70 PHE HA H 70 4.085 4.085 4.176 -0.091 19367 771 1 2 . 1 1 70 70 PHE CA C 70 62.108 62.108 61.386 0.722 19367 772 1 2 . 1 1 70 70 PHE CB C 70 39.054 39.054 39.720 -0.666 19367 773 1 2 . 1 1 70 70 PHE H H 70 9.774 9.774 8.880 0.894 19367 774 1 2 . 1 1 71 71 TYR N N 71 117.533 117.533 118.084 -0.551 19367 775 1 2 . 1 1 71 71 TYR HA H 71 3.449 3.449 3.914 -0.465 19367 776 1 2 . 1 1 71 71 TYR CA C 71 61.684 61.684 60.488 1.196 19367 777 1 2 . 1 1 71 71 TYR CB C 71 37.072 37.072 37.835 -0.763 19367 778 1 2 . 1 1 71 71 TYR H H 71 9.720 9.720 8.724 0.996 19367 779 1 2 . 1 1 72 72 THR N N 72 114.574 114.574 116.983 -2.409 19367 780 1 2 . 1 1 72 72 THR HA H 72 5.436 5.436 3.894 1.542 19367 781 1 2 . 1 1 72 72 THR CA C 72 63.426 63.426 66.465 -3.039 19367 782 1 2 . 1 1 72 72 THR CB C 72 68.762 68.762 68.507 0.255 19367 783 1 2 . 1 1 72 72 THR H H 72 6.675 6.675 7.753 -1.078 19367 784 1 2 . 1 1 73 73 TRP N N 73 123.561 123.561 122.918 0.643 19367 785 1 2 . 1 1 73 73 TRP HA H 73 3.956 3.956 4.502 -0.546 19367 786 1 2 . 1 1 73 73 TRP CA C 73 62.112 62.112 60.082 2.030 19367 787 1 2 . 1 1 73 73 TRP CB C 73 28.971 28.971 29.482 -0.511 19367 788 1 2 . 1 1 73 73 TRP H H 73 6.924 6.924 7.441 -0.517 19367 789 1 2 . 1 1 74 74 LEU N N 74 118.760 118.760 121.661 -2.901 19367 790 1 2 . 1 1 74 74 LEU HA H 74 2.960 2.960 3.348 -0.388 19367 791 1 2 . 1 1 74 74 LEU CA C 74 57.105 57.105 56.890 0.215 19367 792 1 2 . 1 1 74 74 LEU CB C 74 41.503 41.503 41.386 0.116 19367 793 1 2 . 1 1 74 74 LEU H H 74 7.903 7.903 7.552 0.351 19367 794 1 2 . 1 1 75 75 TYR N N 75 119.616 119.616 118.662 0.954 19367 795 1 2 . 1 1 75 75 TYR HA H 75 2.928 2.928 3.746 -0.818 19367 796 1 2 . 1 1 75 75 TYR CA C 75 60.187 60.187 61.274 -1.087 19367 797 1 2 . 1 1 75 75 TYR CB C 75 37.987 37.987 38.000 -0.013 19367 798 1 2 . 1 1 75 75 TYR H H 75 8.717 8.717 8.166 0.551 19367 799 1 2 . 1 1 76 76 ARG N N 76 116.789 116.789 118.789 -2.000 19367 800 1 2 . 1 1 76 76 ARG HA H 76 3.634 3.634 4.055 -0.421 19367 801 1 2 . 1 1 76 76 ARG CA C 76 56.003 56.003 58.240 -2.237 19367 802 1 2 . 1 1 76 76 ARG CB C 76 27.476 27.476 29.248 -1.772 19367 803 1 2 . 1 1 76 76 ARG H H 76 6.809 6.809 7.376 -0.567 19367 804 1 2 . 1 1 77 77 ILE N N 77 117.721 117.721 119.475 -1.754 19367 805 1 2 . 1 1 77 77 ILE HA H 77 2.853 2.853 3.588 -0.735 19367 806 1 2 . 1 1 77 77 ILE CA C 77 65.599 65.599 64.348 1.251 19367 807 1 2 . 1 1 77 77 ILE CB C 77 36.937 36.937 37.454 -0.517 19367 808 1 2 . 1 1 77 77 ILE H H 77 7.316 7.316 7.184 0.132 19367 809 1 2 . 1 1 78 78 ALA N N 78 125.528 125.528 123.309 2.219 19367 810 1 2 . 1 1 78 78 ALA HA H 78 3.369 3.369 3.825 -0.456 19367 811 1 2 . 1 1 78 78 ALA CA C 78 55.876 55.876 54.854 1.022 19367 812 1 2 . 1 1 78 78 ALA CB C 78 17.833 17.833 18.104 -0.271 19367 813 1 2 . 1 1 78 78 ALA H H 78 8.788 8.788 8.024 0.764 19367 814 1 2 . 1 1 79 79 VAL N N 79 117.392 117.392 118.105 -0.713 19367 815 1 2 . 1 1 79 79 VAL HA H 79 2.819 2.819 3.429 -0.610 19367 816 1 2 . 1 1 79 79 VAL CA C 79 67.174 67.174 65.231 1.943 19367 817 1 2 . 1 1 79 79 VAL CB C 79 31.642 31.642 31.969 -0.327 19367 818 1 2 . 1 1 79 79 VAL H H 79 8.046 8.046 7.688 0.358 19367 819 1 2 . 1 1 80 80 ASN N N 80 117.152 117.152 116.749 0.403 19367 820 1 2 . 1 1 80 80 ASN HA H 80 4.368 4.368 4.486 -0.118 19367 821 1 2 . 1 1 80 80 ASN CA C 80 55.630 55.630 55.210 0.420 19367 822 1 2 . 1 1 80 80 ASN CB C 80 36.752 36.752 37.961 -1.209 19367 823 1 2 . 1 1 80 80 ASN H H 80 8.146 8.146 7.663 0.483 19367 824 1 2 . 1 1 81 81 THR N N 81 119.140 119.140 117.576 1.564 19367 825 1 2 . 1 1 81 81 THR HA H 81 3.795 3.795 4.082 -0.287 19367 826 1 2 . 1 1 81 81 THR CA C 81 67.441 67.441 66.436 1.005 19367 827 1 2 . 1 1 81 81 THR CB C 81 68.102 68.102 68.589 -0.487 19367 828 1 2 . 1 1 81 81 THR H H 81 8.320 8.320 8.035 0.285 19367 829 1 2 . 1 1 82 82 ALA N N 82 124.957 124.957 123.553 1.404 19367 830 1 2 . 1 1 82 82 ALA HA H 82 3.789 3.789 4.002 -0.213 19367 831 1 2 . 1 1 82 82 ALA CA C 82 55.415 55.415 54.723 0.692 19367 832 1 2 . 1 1 82 82 ALA CB C 82 18.020 18.020 18.233 -0.213 19367 833 1 2 . 1 1 82 82 ALA H H 82 8.037 8.037 7.746 0.291 19367 834 1 2 . 1 1 83 83 LYS N N 83 116.190 116.190 116.876 -0.686 19367 835 1 2 . 1 1 83 83 LYS HA H 83 3.815 3.815 3.987 -0.172 19367 836 1 2 . 1 1 83 83 LYS CA C 83 60.160 60.160 59.160 1.000 19367 837 1 2 . 1 1 83 83 LYS CB C 83 32.312 32.312 32.286 0.026 19367 838 1 2 . 1 1 83 83 LYS H H 83 8.314 8.314 7.986 0.328 19367 839 1 2 . 1 1 84 84 ASN N N 84 117.083 117.083 117.883 -0.800 19367 840 1 2 . 1 1 84 84 ASN HA H 84 4.486 4.486 4.515 -0.029 19367 841 1 2 . 1 1 84 84 ASN CA C 84 55.213 55.213 55.192 0.021 19367 842 1 2 . 1 1 84 84 ASN CB C 84 38.461 38.461 38.224 0.237 19367 843 1 2 . 1 1 84 84 ASN H H 84 8.004 8.004 7.736 0.268 19367 844 1 2 . 1 1 85 85 TYR N N 85 122.935 122.935 120.987 1.948 19367 845 1 2 . 1 1 85 85 TYR HA H 85 4.147 4.147 4.302 -0.155 19367 846 1 2 . 1 1 85 85 TYR CA C 85 61.408 61.408 61.270 0.138 19367 847 1 2 . 1 1 85 85 TYR CB C 85 38.428 38.428 38.780 -0.352 19367 848 1 2 . 1 1 85 85 TYR H H 85 7.935 7.935 7.567 0.368 19367 849 1 2 . 1 1 86 86 LEU N N 86 119.119 119.119 117.460 1.659 19367 850 1 2 . 1 1 86 86 LEU HA H 86 3.998 3.998 4.032 -0.034 19367 851 1 2 . 1 1 86 86 LEU CA C 86 57.647 57.647 56.951 0.696 19367 852 1 2 . 1 1 86 86 LEU CB C 86 41.906 41.906 42.173 -0.267 19367 853 1 2 . 1 1 86 86 LEU H H 86 7.810 7.810 7.332 0.478 19367 854 1 2 . 1 1 87 87 VAL N N 87 118.991 118.991 112.961 6.030 19367 855 1 2 . 1 1 87 87 VAL HA H 87 3.806 3.806 4.036 -0.230 19367 856 1 2 . 1 1 87 87 VAL CA C 87 64.989 64.989 63.879 1.110 19367 857 1 2 . 1 1 87 87 VAL CB C 87 32.126 32.126 31.589 0.537 19367 858 1 2 . 1 1 87 87 VAL H H 87 7.701 7.701 7.301 0.400 19367 859 1 2 . 1 1 88 88 ALA N N 88 123.643 123.643 122.719 0.924 19367 860 1 2 . 1 1 88 88 ALA HA H 88 4.088 4.088 4.157 -0.069 19367 861 1 2 . 1 1 88 88 ALA CA C 88 54.188 54.188 54.613 -0.425 19367 862 1 2 . 1 1 88 88 ALA CB C 88 18.460 18.460 18.541 -0.081 19367 863 1 2 . 1 1 88 88 ALA H H 88 7.978 7.978 7.540 0.438 19367 864 1 2 . 1 1 89 89 GLN N N 89 116.659 116.659 115.840 0.819 19367 865 1 2 . 1 1 89 89 GLN HA H 89 4.024 4.024 4.369 -0.345 19367 866 1 2 . 1 1 89 89 GLN CA C 89 56.818 56.818 56.262 0.556 19367 867 1 2 . 1 1 89 89 GLN CB C 89 28.776 28.776 29.046 -0.270 19367 868 1 2 . 1 1 89 89 GLN H H 89 7.974 7.974 7.628 0.346 19367 869 1 2 . 1 1 90 90 GLY N N 90 107.464 107.464 108.297 -0.833 19367 870 1 2 . 1 1 90 90 GLY CA C 90 45.782 45.782 45.976 -0.194 19367 871 1 2 . 1 1 90 90 GLY H H 90 7.967 7.967 7.700 0.267 19367 872 1 2 . 1 1 91 91 ARG N N 91 119.736 119.736 118.254 1.482 19367 873 1 2 . 1 1 91 91 ARG HA H 91 4.299 4.299 4.422 -0.123 19367 874 1 2 . 1 1 91 91 ARG CA C 91 56.216 56.216 56.348 -0.132 19367 875 1 2 . 1 1 91 91 ARG CB C 91 30.805 30.805 29.821 0.984 19367 876 1 2 . 1 1 91 91 ARG H H 91 7.824 7.824 7.502 0.322 19367 877 1 2 . 1 1 92 92 ARG N N 92 120.592 120.592 120.143 0.449 19367 878 1 2 . 1 1 92 92 ARG HA H 92 4.270 4.270 4.209 0.061 19367 879 1 2 . 1 1 92 92 ARG CA C 92 56.451 56.451 58.122 -1.671 19367 880 1 2 . 1 1 92 92 ARG CB C 92 30.658 30.658 30.167 0.491 19367 881 1 2 . 1 1 92 92 ARG H H 92 8.038 8.038 7.683 0.355 19367 882 1 2 . 1 1 93 93 LEU N N 93 122.274 122.274 112.930 9.344 19367 883 1 2 . 1 1 93 93 LEU HA H 93 4.258 4.258 4.768 -0.510 19367 884 1 2 . 1 1 93 93 LEU CA C 93 55.463 55.463 54.981 0.482 19367 885 1 2 . 1 1 93 93 LEU CB C 93 42.203 42.203 41.724 0.479 19367 886 1 2 . 1 1 93 93 LEU H H 93 8.147 8.147 7.526 0.621 19367 887 1 2 . 1 1 94 94 GLU N N 94 120.794 120.794 120.077 0.717 19367 888 1 2 . 1 1 94 94 GLU HA H 94 4.249 4.249 4.357 -0.108 19367 889 1 2 . 1 1 94 94 GLU CA C 94 56.557 56.557 56.358 0.199 19367 890 1 2 . 1 1 94 94 GLU CB C 94 30.103 30.103 31.020 -0.917 19367 891 1 2 . 1 1 94 94 GLU H H 94 8.241 8.241 7.855 0.386 19367 892 1 2 . 1 1 95 95 LEU N N 95 122.290 122.290 122.033 0.257 19367 893 1 2 . 1 1 95 95 LEU HA H 95 4.312 4.312 4.363 -0.051 19367 894 1 2 . 1 1 95 95 LEU CA C 95 55.080 55.080 56.453 -1.373 19367 895 1 2 . 1 1 95 95 LEU CB C 95 42.130 42.130 42.663 -0.533 19367 896 1 2 . 1 1 95 95 LEU H H 95 8.068 8.068 7.800 0.268 19367 897 1 3 . 1 1 4 4 GLN N N 4 121.848 121.848 117.888 3.960 19367 898 1 3 . 1 1 4 4 GLN HA H 4 4.307 4.307 4.572 -0.265 19367 899 1 3 . 1 1 4 4 GLN CA C 4 55.724 55.724 54.808 0.916 19367 900 1 3 . 1 1 4 4 GLN CB C 4 29.297 29.297 30.606 -1.309 19367 901 1 3 . 1 1 4 4 GLN H H 4 8.500 8.500 7.641 0.859 19367 902 1 3 . 1 1 5 5 LEU N N 5 124.347 124.347 127.901 -3.554 19367 903 1 3 . 1 1 5 5 LEU HA H 5 4.548 4.548 4.508 0.040 19367 904 1 3 . 1 1 5 5 LEU CA C 5 53.785 53.785 54.365 -0.580 19367 905 1 3 . 1 1 5 5 LEU CB C 5 41.886 41.886 40.632 1.254 19367 906 1 3 . 1 1 5 5 LEU H H 5 8.565 8.565 8.763 -0.198 19367 907 1 3 . 1 1 6 6 THR N N 6 114.442 114.442 112.454 1.988 19367 908 1 3 . 1 1 6 6 THR HA H 6 4.353 4.353 4.368 -0.015 19367 909 1 3 . 1 1 6 6 THR CA C 6 61.195 61.195 60.683 0.512 19367 910 1 3 . 1 1 6 6 THR CB C 6 70.541 70.541 71.119 -0.578 19367 911 1 3 . 1 1 6 6 THR H H 6 7.950 7.950 7.524 0.426 19367 912 1 3 . 1 1 7 7 ASP N N 7 120.959 120.959 118.452 2.507 19367 913 1 3 . 1 1 7 7 ASP HA H 7 4.197 4.197 4.297 -0.100 19367 914 1 3 . 1 1 7 7 ASP CA C 7 57.820 57.820 56.703 1.117 19367 915 1 3 . 1 1 7 7 ASP CB C 7 39.621 39.621 40.169 -0.548 19367 916 1 3 . 1 1 7 7 ASP H H 7 9.008 9.008 9.032 -0.024 19367 917 1 3 . 1 1 8 8 GLN N N 8 116.649 116.649 118.973 -2.324 19367 918 1 3 . 1 1 8 8 GLN HA H 8 4.012 4.012 4.191 -0.179 19367 919 1 3 . 1 1 8 8 GLN CA C 8 59.746 59.746 58.551 1.195 19367 920 1 3 . 1 1 8 8 GLN CB C 8 28.188 28.188 29.244 -1.056 19367 921 1 3 . 1 1 8 8 GLN H H 8 8.561 8.561 7.577 0.984 19367 922 1 3 . 1 1 9 9 VAL N N 9 120.579 120.579 117.219 3.360 19367 923 1 3 . 1 1 9 9 VAL HA H 9 3.760 3.760 4.047 -0.287 19367 924 1 3 . 1 1 9 9 VAL CA C 9 66.108 66.108 64.729 1.379 19367 925 1 3 . 1 1 9 9 VAL CB C 9 31.558 31.558 31.379 0.179 19367 926 1 3 . 1 1 9 9 VAL H H 9 7.450 7.450 7.502 -0.052 19367 927 1 3 . 1 1 10 10 LEU N N 10 119.806 119.806 121.712 -1.906 19367 928 1 3 . 1 1 10 10 LEU HA H 10 3.917 3.917 4.229 -0.312 19367 929 1 3 . 1 1 10 10 LEU CA C 10 58.415 58.415 57.676 0.739 19367 930 1 3 . 1 1 10 10 LEU CB C 10 41.299 41.299 41.854 -0.555 19367 931 1 3 . 1 1 10 10 LEU H H 10 7.865 7.865 7.808 0.057 19367 932 1 3 . 1 1 11 11 VAL N N 11 119.041 119.041 118.846 0.195 19367 933 1 3 . 1 1 11 11 VAL HA H 11 3.280 3.280 3.601 -0.321 19367 934 1 3 . 1 1 11 11 VAL CA C 11 67.631 67.631 66.383 1.248 19367 935 1 3 . 1 1 11 11 VAL CB C 11 31.723 31.723 30.923 0.800 19367 936 1 3 . 1 1 11 11 VAL H H 11 8.734 8.734 7.628 1.107 19367 937 1 3 . 1 1 12 12 GLU N N 12 119.018 119.018 118.767 0.251 19367 938 1 3 . 1 1 12 12 GLU HA H 12 4.110 4.110 4.336 -0.226 19367 939 1 3 . 1 1 12 12 GLU CA C 12 59.514 59.514 58.667 0.847 19367 940 1 3 . 1 1 12 12 GLU CB C 12 28.603 28.603 29.160 -0.557 19367 941 1 3 . 1 1 12 12 GLU H H 12 7.802 7.802 7.562 0.240 19367 942 1 3 . 1 1 13 13 ARG N N 13 117.242 117.242 119.191 -1.949 19367 943 1 3 . 1 1 13 13 ARG HA H 13 4.011 4.011 4.172 -0.161 19367 944 1 3 . 1 1 13 13 ARG CA C 13 60.016 60.016 58.921 1.095 19367 945 1 3 . 1 1 13 13 ARG CB C 13 27.737 27.737 30.189 -2.451 19367 946 1 3 . 1 1 13 13 ARG H H 13 8.107 8.107 7.666 0.441 19367 947 1 3 . 1 1 14 14 VAL N N 14 121.430 121.430 119.427 2.003 19367 948 1 3 . 1 1 14 14 VAL HA H 14 3.767 3.767 4.138 -0.371 19367 949 1 3 . 1 1 14 14 VAL CA C 14 66.462 66.462 65.966 0.496 19367 950 1 3 . 1 1 14 14 VAL CB C 14 31.616 31.616 32.192 -0.576 19367 951 1 3 . 1 1 14 14 VAL H H 14 8.435 8.435 7.587 0.848 19367 952 1 3 . 1 1 15 15 GLN N N 15 120.667 120.667 117.507 3.160 19367 953 1 3 . 1 1 15 15 GLN HA H 15 4.088 4.088 4.120 -0.032 19367 954 1 3 . 1 1 15 15 GLN CA C 15 58.628 58.628 57.818 0.810 19367 955 1 3 . 1 1 15 15 GLN CB C 15 27.995 27.995 28.281 -0.286 19367 956 1 3 . 1 1 15 15 GLN H H 15 8.670 8.670 7.741 0.929 19367 957 1 3 . 1 1 16 16 LYS N N 16 116.797 116.797 119.073 -2.276 19367 958 1 3 . 1 1 16 16 LYS HA H 16 4.374 4.374 4.262 0.112 19367 959 1 3 . 1 1 16 16 LYS CA C 16 56.278 56.278 56.582 -0.304 19367 960 1 3 . 1 1 16 16 LYS CB C 16 32.299 32.299 32.622 -0.323 19367 961 1 3 . 1 1 16 16 LYS H H 16 7.700 7.700 7.562 0.138 19367 962 1 3 . 1 1 17 17 GLY N N 17 107.001 107.001 107.647 -0.646 19367 963 1 3 . 1 1 17 17 GLY CA C 17 45.608 45.608 44.686 0.922 19367 964 1 3 . 1 1 17 17 GLY H H 17 7.927 7.927 7.764 0.163 19367 965 1 3 . 1 1 18 18 ASP N N 18 121.666 121.666 121.883 -0.217 19367 966 1 3 . 1 1 18 18 ASP HA H 18 4.769 4.769 4.789 -0.020 19367 967 1 3 . 1 1 18 18 ASP CA C 18 52.999 52.999 53.652 -0.653 19367 968 1 3 . 1 1 18 18 ASP CB C 18 40.814 40.814 41.409 -0.595 19367 969 1 3 . 1 1 18 18 ASP H H 18 8.255 8.255 7.688 0.567 19367 970 1 3 . 1 1 19 19 GLN N N 19 124.874 124.874 126.801 -1.927 19367 971 1 3 . 1 1 19 19 GLN HA H 19 4.150 4.150 4.374 -0.224 19367 972 1 3 . 1 1 19 19 GLN CA C 19 58.922 58.922 58.064 0.858 19367 973 1 3 . 1 1 19 19 GLN CB C 19 28.759 28.759 29.064 -0.305 19367 974 1 3 . 1 1 19 19 GLN H H 19 8.392 8.392 8.776 -0.384 19367 975 1 3 . 1 1 20 20 LYS N N 20 119.006 119.006 119.034 -0.028 19367 976 1 3 . 1 1 20 20 LYS HA H 20 4.118 4.118 4.175 -0.057 19367 977 1 3 . 1 1 20 20 LYS CA C 20 58.642 58.642 58.197 0.445 19367 978 1 3 . 1 1 20 20 LYS CB C 20 31.678 31.678 32.148 -0.469 19367 979 1 3 . 1 1 20 20 LYS H H 20 8.348 8.348 8.083 0.265 19367 980 1 3 . 1 1 21 21 ALA N N 21 121.687 121.687 121.989 -0.302 19367 981 1 3 . 1 1 21 21 ALA HA H 21 4.010 4.010 4.153 -0.143 19367 982 1 3 . 1 1 21 21 ALA CA C 21 54.485 54.485 54.864 -0.379 19367 983 1 3 . 1 1 21 21 ALA CB C 21 18.634 18.634 18.268 0.366 19367 984 1 3 . 1 1 21 21 ALA H H 21 7.500 7.500 8.371 -0.871 19367 985 1 3 . 1 1 22 22 PHE N N 22 117.219 117.219 118.450 -1.231 19367 986 1 3 . 1 1 22 22 PHE HA H 22 3.994 3.994 4.281 -0.287 19367 987 1 3 . 1 1 22 22 PHE CA C 22 61.907 61.907 60.490 1.417 19367 988 1 3 . 1 1 22 22 PHE CB C 22 38.571 38.571 39.656 -1.085 19367 989 1 3 . 1 1 22 22 PHE H H 22 7.810 7.810 7.512 0.298 19367 990 1 3 . 1 1 23 23 ASN N N 23 115.600 115.600 118.995 -3.395 19367 991 1 3 . 1 1 23 23 ASN HA H 23 4.163 4.163 4.309 -0.146 19367 992 1 3 . 1 1 23 23 ASN CA C 23 56.264 56.264 56.450 -0.187 19367 993 1 3 . 1 1 23 23 ASN CB C 23 38.131 38.131 38.443 -0.312 19367 994 1 3 . 1 1 23 23 ASN H H 23 7.711 7.711 7.716 -0.005 19367 995 1 3 . 1 1 24 24 LEU N N 24 117.605 117.605 119.319 -1.714 19367 996 1 3 . 1 1 24 24 LEU HA H 24 3.999 3.999 4.145 -0.146 19367 997 1 3 . 1 1 24 24 LEU CA C 24 57.811 57.811 57.127 0.685 19367 998 1 3 . 1 1 24 24 LEU CB C 24 41.367 41.367 41.014 0.353 19367 999 1 3 . 1 1 24 24 LEU H H 24 7.344 7.344 7.566 -0.222 19367 1000 1 3 . 1 1 25 25 LEU N N 25 120.426 120.426 120.722 -0.296 19367 1001 1 3 . 1 1 25 25 LEU HA H 25 3.938 3.938 4.075 -0.137 19367 1002 1 3 . 1 1 25 25 LEU CA C 25 57.863 57.863 57.381 0.482 19367 1003 1 3 . 1 1 25 25 LEU CB C 25 41.479 41.479 41.750 -0.271 19367 1004 1 3 . 1 1 25 25 LEU H H 25 7.036 7.036 7.231 -0.195 19367 1005 1 3 . 1 1 26 26 VAL N N 26 119.676 119.676 119.290 0.386 19367 1006 1 3 . 1 1 26 26 VAL HA H 26 2.857 2.857 2.701 0.156 19367 1007 1 3 . 1 1 26 26 VAL CA C 26 65.821 65.821 66.479 -0.658 19367 1008 1 3 . 1 1 26 26 VAL CB C 26 30.816 30.816 31.190 -0.374 19367 1009 1 3 . 1 1 26 26 VAL H H 26 7.369 7.369 7.593 -0.224 19367 1010 1 3 . 1 1 27 27 VAL N N 27 117.098 117.098 117.180 -0.082 19367 1011 1 3 . 1 1 27 27 VAL HA H 27 3.542 3.542 3.657 -0.115 19367 1012 1 3 . 1 1 27 27 VAL CA C 27 65.837 65.837 65.769 0.068 19367 1013 1 3 . 1 1 27 27 VAL CB C 27 31.728 31.728 31.229 0.499 19367 1014 1 3 . 1 1 27 27 VAL H H 27 7.816 7.816 7.556 0.260 19367 1015 1 3 . 1 1 28 28 ARG N N 28 118.592 118.592 119.567 -0.975 19367 1016 1 3 . 1 1 28 28 ARG HA H 28 3.838 3.838 4.019 -0.181 19367 1017 1 3 . 1 1 28 28 ARG CA C 28 59.356 59.356 58.621 0.735 19367 1018 1 3 . 1 1 28 28 ARG CB C 28 31.069 31.069 30.144 0.925 19367 1019 1 3 . 1 1 28 28 ARG H H 28 7.491 7.491 7.415 0.076 19367 1020 1 3 . 1 1 29 29 TYR N N 29 112.635 112.635 115.987 -3.352 19367 1021 1 3 . 1 1 29 29 TYR HA H 29 4.945 4.945 4.806 0.139 19367 1022 1 3 . 1 1 29 29 TYR CA C 29 60.438 60.438 57.971 2.467 19367 1023 1 3 . 1 1 29 29 TYR CB C 29 40.619 40.619 40.332 0.287 19367 1024 1 3 . 1 1 29 29 TYR H H 29 7.675 7.675 7.506 0.169 19367 1025 1 3 . 1 1 30 30 GLN N N 30 123.043 123.043 121.275 1.768 19367 1026 1 3 . 1 1 30 30 GLN HA H 30 4.119 4.119 4.380 -0.261 19367 1027 1 3 . 1 1 30 30 GLN CA C 30 61.409 61.409 59.660 1.749 19367 1028 1 3 . 1 1 30 30 GLN CB C 30 26.933 26.933 28.221 -1.288 19367 1029 1 3 . 1 1 30 30 GLN H H 30 9.056 9.056 8.406 0.650 19367 1030 1 3 . 1 1 31 31 HIS N N 31 118.704 118.704 115.640 3.064 19367 1031 1 3 . 1 1 31 31 HIS HA H 31 4.435 4.435 4.659 -0.224 19367 1032 1 3 . 1 1 31 31 HIS CA C 31 59.580 59.580 57.436 2.144 19367 1033 1 3 . 1 1 31 31 HIS CB C 31 29.396 29.396 29.421 -0.025 19367 1034 1 3 . 1 1 31 31 HIS H H 31 8.616 8.616 8.837 -0.221 19367 1035 1 3 . 1 1 32 32 LYS N N 32 122.594 122.594 120.558 2.036 19367 1036 1 3 . 1 1 32 32 LYS HA H 32 4.029 4.029 4.082 -0.053 19367 1037 1 3 . 1 1 32 32 LYS CA C 32 59.869 59.869 58.140 1.729 19367 1038 1 3 . 1 1 32 32 LYS CB C 32 32.580 32.580 32.511 0.069 19367 1039 1 3 . 1 1 32 32 LYS H H 32 7.848 7.848 7.047 0.801 19367 1040 1 3 . 1 1 33 33 VAL N N 33 119.621 119.621 119.571 0.050 19367 1041 1 3 . 1 1 33 33 VAL HA H 33 3.480 3.480 3.946 -0.466 19367 1042 1 3 . 1 1 33 33 VAL CA C 33 66.671 66.671 64.318 2.353 19367 1043 1 3 . 1 1 33 33 VAL CB C 33 31.142 31.142 31.919 -0.777 19367 1044 1 3 . 1 1 33 33 VAL H H 33 8.653 8.653 8.683 -0.030 19367 1045 1 3 . 1 1 34 34 ALA N N 34 122.622 122.622 121.811 0.811 19367 1046 1 3 . 1 1 34 34 ALA HA H 34 3.736 3.736 4.070 -0.334 19367 1047 1 3 . 1 1 34 34 ALA CA C 34 55.762 55.762 54.848 0.914 19367 1048 1 3 . 1 1 34 34 ALA CB C 34 17.681 17.681 18.300 -0.619 19367 1049 1 3 . 1 1 34 34 ALA H H 34 8.498 8.498 7.777 0.721 19367 1050 1 3 . 1 1 35 35 SER N N 35 113.674 113.674 114.311 -0.637 19367 1051 1 3 . 1 1 35 35 SER HA H 35 4.040 4.040 4.246 -0.206 19367 1052 1 3 . 1 1 35 35 SER CA C 35 61.765 61.765 60.557 1.208 19367 1053 1 3 . 1 1 35 35 SER CB C 35 62.766 62.766 63.262 -0.496 19367 1054 1 3 . 1 1 35 35 SER H H 35 7.897 7.897 7.684 0.213 19367 1055 1 3 . 1 1 36 36 LEU N N 36 123.203 123.203 122.684 0.519 19367 1056 1 3 . 1 1 36 36 LEU HA H 36 3.992 3.992 4.213 -0.221 19367 1057 1 3 . 1 1 36 36 LEU CA C 36 57.863 57.863 57.501 0.362 19367 1058 1 3 . 1 1 36 36 LEU CB C 36 42.718 42.718 41.940 0.778 19367 1059 1 3 . 1 1 36 36 LEU H H 36 7.494 7.494 7.262 0.232 19367 1060 1 3 . 1 1 37 37 VAL N N 37 114.122 114.122 114.657 -0.535 19367 1061 1 3 . 1 1 37 37 VAL HA H 37 3.627 3.627 3.995 -0.368 19367 1062 1 3 . 1 1 37 37 VAL CA C 37 65.879 65.879 65.318 0.561 19367 1063 1 3 . 1 1 37 37 VAL CB C 37 31.214 31.214 31.020 0.194 19367 1064 1 3 . 1 1 37 37 VAL H H 37 8.530 8.530 8.211 0.319 19367 1065 1 3 . 1 1 38 38 SER N N 38 116.259 116.259 115.813 0.446 19367 1066 1 3 . 1 1 38 38 SER HA H 38 4.276 4.276 4.298 -0.022 19367 1067 1 3 . 1 1 38 38 SER CA C 38 60.898 60.898 60.022 0.876 19367 1068 1 3 . 1 1 38 38 SER CB C 38 63.143 63.143 62.883 0.260 19367 1069 1 3 . 1 1 38 38 SER H H 38 8.136 8.136 7.677 0.459 19367 1070 1 3 . 1 1 39 39 ARG N N 39 119.029 119.029 118.348 0.681 19367 1071 1 3 . 1 1 39 39 ARG HA H 39 3.995 3.995 3.942 0.053 19367 1072 1 3 . 1 1 39 39 ARG CA C 39 57.640 57.640 57.555 0.085 19367 1073 1 3 . 1 1 39 39 ARG CB C 39 29.719 29.719 30.115 -0.396 19367 1074 1 3 . 1 1 39 39 ARG H H 39 7.310 7.310 7.246 0.064 19367 1075 1 3 . 1 1 40 40 TYR N N 40 114.123 114.123 115.239 -1.116 19367 1076 1 3 . 1 1 40 40 TYR HA H 40 4.472 4.472 4.710 -0.238 19367 1077 1 3 . 1 1 40 40 TYR CA C 40 59.298 59.298 57.944 1.354 19367 1078 1 3 . 1 1 40 40 TYR CB C 40 42.809 42.809 41.078 1.731 19367 1079 1 3 . 1 1 40 40 TYR H H 40 7.786 7.786 7.732 0.054 19367 1080 1 3 . 1 1 41 41 VAL N N 41 112.721 112.721 113.846 -1.125 19367 1081 1 3 . 1 1 41 41 VAL HA H 41 4.853 4.853 4.748 0.105 19367 1082 1 3 . 1 1 41 41 VAL CA C 41 57.942 57.942 58.328 -0.386 19367 1083 1 3 . 1 1 41 41 VAL CB C 41 33.171 33.171 33.969 -0.798 19367 1084 1 3 . 1 1 41 41 VAL H H 41 7.388 7.388 7.669 -0.281 19367 1085 1 3 . 1 1 42 42 PRO HA H 42 4.415 4.415 4.578 -0.163 19367 1086 1 3 . 1 1 42 42 PRO CA C 42 62.645 62.645 63.195 -0.550 19367 1087 1 3 . 1 1 42 42 PRO CB C 42 32.603 32.603 32.384 0.219 19367 1088 1 3 . 1 1 43 43 SER N N 43 116.784 116.784 116.989 -0.205 19367 1089 1 3 . 1 1 43 43 SER HA H 43 4.009 4.009 4.194 -0.185 19367 1090 1 3 . 1 1 43 43 SER CA C 43 62.098 62.098 60.200 1.898 19367 1091 1 3 . 1 1 43 43 SER CB C 43 62.862 62.862 62.798 0.064 19367 1092 1 3 . 1 1 43 43 SER H H 43 8.602 8.602 8.496 0.106 19367 1093 1 3 . 1 1 44 44 GLY N N 44 107.756 107.756 109.033 -1.277 19367 1094 1 3 . 1 1 44 44 GLY CA C 44 46.503 46.503 45.575 0.927 19367 1095 1 3 . 1 1 44 44 GLY H H 44 8.812 8.812 8.236 0.576 19367 1096 1 3 . 1 1 45 45 ASP N N 45 117.822 117.822 120.059 -2.237 19367 1097 1 3 . 1 1 45 45 ASP HA H 45 4.875 4.875 4.830 0.045 19367 1098 1 3 . 1 1 45 45 ASP CA C 45 54.770 54.770 54.182 0.588 19367 1099 1 3 . 1 1 45 45 ASP CB C 45 42.593 42.593 42.337 0.256 19367 1100 1 3 . 1 1 45 45 ASP H H 45 7.764 7.764 7.979 -0.215 19367 1101 1 3 . 1 1 46 46 VAL N N 46 119.385 119.385 121.906 -2.521 19367 1102 1 3 . 1 1 46 46 VAL HA H 46 3.233 3.233 3.787 -0.554 19367 1103 1 3 . 1 1 46 46 VAL CA C 46 68.546 68.546 68.097 0.449 19367 1104 1 3 . 1 1 46 46 VAL CB C 46 29.851 29.851 29.023 0.828 19367 1105 1 3 . 1 1 46 46 VAL H H 46 7.148 7.148 7.533 -0.385 19367 1106 1 3 . 1 1 47 47 PRO HA H 47 4.113 4.113 4.297 -0.184 19367 1107 1 3 . 1 1 47 47 PRO CA C 47 66.527 66.527 65.882 0.645 19367 1108 1 3 . 1 1 47 47 PRO CB C 47 28.496 28.496 31.225 -2.729 19367 1109 1 3 . 1 1 48 48 ASP N N 48 116.654 116.654 118.342 -1.688 19367 1110 1 3 . 1 1 48 48 ASP HA H 48 4.384 4.384 4.527 -0.143 19367 1111 1 3 . 1 1 48 48 ASP CA C 48 57.268 57.268 56.644 0.624 19367 1112 1 3 . 1 1 48 48 ASP CB C 48 40.657 40.657 40.861 -0.204 19367 1113 1 3 . 1 1 48 48 ASP H H 48 7.473 7.473 7.626 -0.153 19367 1114 1 3 . 1 1 49 49 VAL N N 49 121.848 121.848 119.968 1.880 19367 1115 1 3 . 1 1 49 49 VAL HA H 49 3.364 3.364 3.687 -0.323 19367 1116 1 3 . 1 1 49 49 VAL CA C 49 66.354 66.354 65.695 0.659 19367 1117 1 3 . 1 1 49 49 VAL CB C 49 30.961 30.961 31.760 -0.799 19367 1118 1 3 . 1 1 49 49 VAL H H 49 7.600 7.600 7.613 -0.013 19367 1119 1 3 . 1 1 50 50 VAL N N 50 119.961 119.961 120.333 -0.372 19367 1120 1 3 . 1 1 50 50 VAL HA H 50 3.176 3.176 3.551 -0.375 19367 1121 1 3 . 1 1 50 50 VAL CA C 50 67.270 67.270 66.665 0.605 19367 1122 1 3 . 1 1 50 50 VAL CB C 50 31.662 31.662 31.612 0.050 19367 1123 1 3 . 1 1 50 50 VAL H H 50 8.567 8.567 8.500 0.067 19367 1124 1 3 . 1 1 51 51 GLN N N 51 116.203 116.203 118.596 -2.393 19367 1125 1 3 . 1 1 51 51 GLN HA H 51 4.204 4.204 4.252 -0.048 19367 1126 1 3 . 1 1 51 51 GLN CA C 51 59.334 59.334 58.626 0.708 19367 1127 1 3 . 1 1 51 51 GLN CB C 51 28.717 28.717 28.482 0.235 19367 1128 1 3 . 1 1 51 51 GLN H H 51 7.802 7.802 7.729 0.073 19367 1129 1 3 . 1 1 52 52 GLU N N 52 119.616 119.616 119.877 -0.261 19367 1130 1 3 . 1 1 52 52 GLU HA H 52 4.085 4.085 4.203 -0.118 19367 1131 1 3 . 1 1 52 52 GLU CA C 52 59.267 59.267 58.457 0.810 19367 1132 1 3 . 1 1 52 52 GLU CB C 52 29.178 29.178 29.559 -0.381 19367 1133 1 3 . 1 1 52 52 GLU H H 52 7.880 7.880 7.696 0.184 19367 1134 1 3 . 1 1 53 53 ALA N N 53 120.964 120.964 122.033 -1.069 19367 1135 1 3 . 1 1 53 53 ALA HA H 53 3.713 3.713 4.128 -0.415 19367 1136 1 3 . 1 1 53 53 ALA CA C 53 55.176 55.176 54.366 0.810 19367 1137 1 3 . 1 1 53 53 ALA CB C 53 16.573 16.573 18.315 -1.742 19367 1138 1 3 . 1 1 53 53 ALA H H 53 8.381 8.381 7.439 0.942 19367 1139 1 3 . 1 1 54 54 PHE N N 54 113.370 113.370 117.666 -4.296 19367 1140 1 3 . 1 1 54 54 PHE HA H 54 4.329 4.329 4.564 -0.235 19367 1141 1 3 . 1 1 54 54 PHE CA C 54 63.496 63.496 61.198 2.298 19367 1142 1 3 . 1 1 54 54 PHE CB C 54 39.097 39.097 39.223 -0.126 19367 1143 1 3 . 1 1 54 54 PHE H H 54 7.942 7.942 7.840 0.102 19367 1144 1 3 . 1 1 55 55 ILE N N 55 121.983 121.983 120.123 1.860 19367 1145 1 3 . 1 1 55 55 ILE HA H 55 3.946 3.946 3.929 0.017 19367 1146 1 3 . 1 1 55 55 ILE CA C 55 64.969 64.969 63.574 1.395 19367 1147 1 3 . 1 1 55 55 ILE CB C 55 37.589 37.589 37.685 -0.096 19367 1148 1 3 . 1 1 55 55 ILE H H 55 8.373 8.373 7.845 0.528 19367 1149 1 3 . 1 1 56 56 LYS N N 56 120.661 120.661 120.729 -0.068 19367 1150 1 3 . 1 1 56 56 LYS HA H 56 3.860 3.860 4.144 -0.284 19367 1151 1 3 . 1 1 56 56 LYS CA C 56 59.835 59.835 58.457 1.378 19367 1152 1 3 . 1 1 56 56 LYS CB C 56 31.904 31.904 31.959 -0.055 19367 1153 1 3 . 1 1 56 56 LYS H H 56 8.318 8.318 7.843 0.474 19367 1154 1 3 . 1 1 57 57 ALA N N 57 119.884 119.884 122.016 -2.132 19367 1155 1 3 . 1 1 57 57 ALA HA H 57 3.784 3.784 4.223 -0.439 19367 1156 1 3 . 1 1 57 57 ALA CA C 57 54.552 54.552 54.685 -0.133 19367 1157 1 3 . 1 1 57 57 ALA CB C 57 18.251 18.251 18.489 -0.239 19367 1158 1 3 . 1 1 57 57 ALA H H 57 7.937 7.937 7.522 0.415 19367 1159 1 3 . 1 1 58 58 TYR N N 58 116.541 116.541 119.799 -3.258 19367 1160 1 3 . 1 1 58 58 TYR HA H 58 3.549 3.549 3.741 -0.192 19367 1161 1 3 . 1 1 58 58 TYR CA C 58 61.528 61.528 61.322 0.206 19367 1162 1 3 . 1 1 58 58 TYR CB C 58 37.885 37.885 38.425 -0.540 19367 1163 1 3 . 1 1 58 58 TYR H H 58 8.404 8.404 8.193 0.211 19367 1164 1 3 . 1 1 59 59 ARG N N 59 116.321 116.321 115.720 0.601 19367 1165 1 3 . 1 1 59 59 ARG HA H 59 3.791 3.791 4.149 -0.358 19367 1166 1 3 . 1 1 59 59 ARG CA C 59 58.500 58.500 57.024 1.476 19367 1167 1 3 . 1 1 59 59 ARG CB C 59 30.268 30.268 30.450 -0.182 19367 1168 1 3 . 1 1 59 59 ARG H H 59 8.404 8.404 7.719 0.685 19367 1169 1 3 . 1 1 60 60 ALA N N 60 118.867 118.867 120.383 -1.516 19367 1170 1 3 . 1 1 60 60 ALA HA H 60 4.879 4.879 4.626 0.253 19367 1171 1 3 . 1 1 60 60 ALA CA C 60 51.372 51.372 52.244 -0.872 19367 1172 1 3 . 1 1 60 60 ALA CB C 60 20.539 20.539 20.030 0.509 19367 1173 1 3 . 1 1 60 60 ALA H H 60 7.630 7.630 7.296 0.334 19367 1174 1 3 . 1 1 61 61 LEU N N 61 124.902 124.902 121.103 3.799 19367 1175 1 3 . 1 1 61 61 LEU HA H 61 4.094 4.094 4.106 -0.012 19367 1176 1 3 . 1 1 61 61 LEU CA C 61 58.442 58.442 57.483 0.959 19367 1177 1 3 . 1 1 61 61 LEU CB C 61 42.290 42.290 42.130 0.160 19367 1178 1 3 . 1 1 61 61 LEU H H 61 7.598 7.598 8.189 -0.591 19367 1179 1 3 . 1 1 62 62 ASP N N 62 117.094 117.094 117.671 -0.577 19367 1180 1 3 . 1 1 62 62 ASP HA H 62 4.345 4.345 4.500 -0.155 19367 1181 1 3 . 1 1 62 62 ASP CA C 62 56.690 56.690 55.617 1.073 19367 1182 1 3 . 1 1 62 62 ASP CB C 62 39.812 39.812 40.637 -0.825 19367 1183 1 3 . 1 1 62 62 ASP H H 62 8.686 8.686 8.843 -0.157 19367 1184 1 3 . 1 1 63 63 SER N N 63 112.854 112.854 113.889 -1.035 19367 1185 1 3 . 1 1 63 63 SER HA H 63 4.554 4.554 4.601 -0.047 19367 1186 1 3 . 1 1 63 63 SER CA C 63 58.052 58.052 58.173 -0.121 19367 1187 1 3 . 1 1 63 63 SER CB C 63 64.719 64.719 63.856 0.863 19367 1188 1 3 . 1 1 63 63 SER H H 63 7.969 7.969 7.556 0.413 19367 1189 1 3 . 1 1 64 64 PHE N N 64 125.623 125.623 122.819 2.804 19367 1190 1 3 . 1 1 64 64 PHE HA H 64 4.238 4.238 3.998 0.240 19367 1191 1 3 . 1 1 64 64 PHE CA C 64 56.826 56.826 58.525 -1.699 19367 1192 1 3 . 1 1 64 64 PHE CB C 64 38.210 38.210 39.619 -1.409 19367 1193 1 3 . 1 1 64 64 PHE H H 64 7.383 7.383 7.466 -0.083 19367 1194 1 3 . 1 1 65 65 ARG N N 65 133.273 133.273 125.713 7.560 19367 1195 1 3 . 1 1 65 65 ARG HA H 65 3.861 3.861 4.202 -0.341 19367 1196 1 3 . 1 1 65 65 ARG CA C 65 57.826 57.826 55.830 1.996 19367 1197 1 3 . 1 1 65 65 ARG CB C 65 31.054 31.054 30.390 0.664 19367 1198 1 3 . 1 1 65 65 ARG H H 65 10.968 10.968 7.915 3.053 19367 1199 1 3 . 1 1 66 66 GLY N N 66 103.283 103.283 106.787 -3.504 19367 1200 1 3 . 1 1 66 66 GLY CA C 66 46.309 46.309 44.648 1.661 19367 1201 1 3 . 1 1 66 66 GLY H H 66 5.673 5.673 6.258 -0.585 19367 1202 1 3 . 1 1 67 67 ASP N N 67 120.001 120.001 119.182 0.819 19367 1203 1 3 . 1 1 67 67 ASP HA H 67 4.551 4.551 4.573 -0.022 19367 1204 1 3 . 1 1 67 67 ASP CA C 67 55.488 55.488 55.071 0.417 19367 1205 1 3 . 1 1 67 67 ASP CB C 67 40.655 40.655 41.041 -0.386 19367 1206 1 3 . 1 1 67 67 ASP H H 67 7.960 7.960 8.083 -0.123 19367 1207 1 3 . 1 1 68 68 SER N N 68 110.787 110.787 112.139 -1.352 19367 1208 1 3 . 1 1 68 68 SER HA H 68 4.633 4.633 4.635 -0.002 19367 1209 1 3 . 1 1 68 68 SER CA C 68 56.762 56.762 57.539 -0.777 19367 1210 1 3 . 1 1 68 68 SER CB C 68 67.439 67.439 64.998 2.441 19367 1211 1 3 . 1 1 68 68 SER H H 68 7.692 7.692 7.385 0.307 19367 1212 1 3 . 1 1 69 69 ALA N N 69 122.464 122.464 123.967 -1.503 19367 1213 1 3 . 1 1 69 69 ALA HA H 69 4.692 4.692 4.416 0.276 19367 1214 1 3 . 1 1 69 69 ALA CA C 69 52.674 52.674 52.738 -0.064 19367 1215 1 3 . 1 1 69 69 ALA CB C 69 18.751 18.751 19.568 -0.817 19367 1216 1 3 . 1 1 69 69 ALA H H 69 9.726 9.726 8.654 1.072 19367 1217 1 3 . 1 1 70 70 PHE N N 70 127.188 127.188 122.188 5.000 19367 1218 1 3 . 1 1 70 70 PHE HA H 70 4.085 4.085 4.151 -0.066 19367 1219 1 3 . 1 1 70 70 PHE CA C 70 62.108 62.108 61.340 0.768 19367 1220 1 3 . 1 1 70 70 PHE CB C 70 39.054 39.054 39.715 -0.661 19367 1221 1 3 . 1 1 70 70 PHE H H 70 9.774 9.774 8.910 0.864 19367 1222 1 3 . 1 1 71 71 TYR N N 71 117.533 117.533 118.191 -0.658 19367 1223 1 3 . 1 1 71 71 TYR HA H 71 3.449 3.449 3.895 -0.446 19367 1224 1 3 . 1 1 71 71 TYR CA C 71 61.684 61.684 60.821 0.863 19367 1225 1 3 . 1 1 71 71 TYR CB C 71 37.072 37.072 37.751 -0.679 19367 1226 1 3 . 1 1 71 71 TYR H H 71 9.720 9.720 8.787 0.933 19367 1227 1 3 . 1 1 72 72 THR N N 72 114.574 114.574 116.866 -2.292 19367 1228 1 3 . 1 1 72 72 THR HA H 72 5.436 5.436 3.924 1.512 19367 1229 1 3 . 1 1 72 72 THR CA C 72 63.426 63.426 67.408 -3.982 19367 1230 1 3 . 1 1 72 72 THR CB C 72 68.762 68.762 68.347 0.415 19367 1231 1 3 . 1 1 72 72 THR H H 72 6.675 6.675 7.784 -1.109 19367 1232 1 3 . 1 1 73 73 TRP N N 73 123.561 123.561 122.508 1.053 19367 1233 1 3 . 1 1 73 73 TRP HA H 73 3.956 3.956 4.550 -0.594 19367 1234 1 3 . 1 1 73 73 TRP CA C 73 62.112 62.112 60.096 2.016 19367 1235 1 3 . 1 1 73 73 TRP CB C 73 28.971 28.971 29.580 -0.609 19367 1236 1 3 . 1 1 73 73 TRP H H 73 6.924 6.924 7.410 -0.486 19367 1237 1 3 . 1 1 74 74 LEU N N 74 118.760 118.760 121.366 -2.606 19367 1238 1 3 . 1 1 74 74 LEU HA H 74 2.960 2.960 3.346 -0.386 19367 1239 1 3 . 1 1 74 74 LEU CA C 74 57.105 57.105 56.881 0.224 19367 1240 1 3 . 1 1 74 74 LEU CB C 74 41.503 41.503 41.396 0.107 19367 1241 1 3 . 1 1 74 74 LEU H H 74 7.903 7.903 7.728 0.175 19367 1242 1 3 . 1 1 75 75 TYR N N 75 119.616 119.616 118.780 0.836 19367 1243 1 3 . 1 1 75 75 TYR HA H 75 2.928 2.928 3.722 -0.794 19367 1244 1 3 . 1 1 75 75 TYR CA C 75 60.187 60.187 61.427 -1.240 19367 1245 1 3 . 1 1 75 75 TYR CB C 75 37.987 37.987 37.973 0.014 19367 1246 1 3 . 1 1 75 75 TYR H H 75 8.717 8.717 8.146 0.571 19367 1247 1 3 . 1 1 76 76 ARG N N 76 116.789 116.789 118.853 -2.064 19367 1248 1 3 . 1 1 76 76 ARG HA H 76 3.634 3.634 4.022 -0.388 19367 1249 1 3 . 1 1 76 76 ARG CA C 76 56.003 56.003 58.479 -2.476 19367 1250 1 3 . 1 1 76 76 ARG CB C 76 27.476 27.476 29.371 -1.895 19367 1251 1 3 . 1 1 76 76 ARG H H 76 6.809 6.809 7.457 -0.648 19367 1252 1 3 . 1 1 77 77 ILE N N 77 117.721 117.721 119.376 -1.655 19367 1253 1 3 . 1 1 77 77 ILE HA H 77 2.853 2.853 3.560 -0.707 19367 1254 1 3 . 1 1 77 77 ILE CA C 77 65.599 65.599 64.458 1.141 19367 1255 1 3 . 1 1 77 77 ILE CB C 77 36.937 36.937 37.411 -0.474 19367 1256 1 3 . 1 1 77 77 ILE H H 77 7.316 7.316 7.153 0.163 19367 1257 1 3 . 1 1 78 78 ALA N N 78 125.528 125.528 122.985 2.543 19367 1258 1 3 . 1 1 78 78 ALA HA H 78 3.369 3.369 3.847 -0.478 19367 1259 1 3 . 1 1 78 78 ALA CA C 78 55.876 55.876 54.923 0.952 19367 1260 1 3 . 1 1 78 78 ALA CB C 78 17.833 17.833 18.105 -0.272 19367 1261 1 3 . 1 1 78 78 ALA H H 78 8.788 8.788 8.035 0.753 19367 1262 1 3 . 1 1 79 79 VAL N N 79 117.392 117.392 117.717 -0.325 19367 1263 1 3 . 1 1 79 79 VAL HA H 79 2.819 2.819 3.510 -0.691 19367 1264 1 3 . 1 1 79 79 VAL CA C 79 67.174 67.174 64.794 2.380 19367 1265 1 3 . 1 1 79 79 VAL CB C 79 31.642 31.642 31.416 0.226 19367 1266 1 3 . 1 1 79 79 VAL H H 79 8.046 8.046 7.649 0.397 19367 1267 1 3 . 1 1 80 80 ASN N N 80 117.152 117.152 117.504 -0.352 19367 1268 1 3 . 1 1 80 80 ASN HA H 80 4.368 4.368 4.528 -0.160 19367 1269 1 3 . 1 1 80 80 ASN CA C 80 55.630 55.630 55.176 0.454 19367 1270 1 3 . 1 1 80 80 ASN CB C 80 36.752 36.752 38.144 -1.392 19367 1271 1 3 . 1 1 80 80 ASN H H 80 8.146 8.146 7.681 0.465 19367 1272 1 3 . 1 1 81 81 THR N N 81 119.140 119.140 117.939 1.201 19367 1273 1 3 . 1 1 81 81 THR HA H 81 3.795 3.795 4.054 -0.259 19367 1274 1 3 . 1 1 81 81 THR CA C 81 67.441 67.441 66.684 0.757 19367 1275 1 3 . 1 1 81 81 THR CB C 81 68.102 68.102 68.570 -0.468 19367 1276 1 3 . 1 1 81 81 THR H H 81 8.320 8.320 8.149 0.171 19367 1277 1 3 . 1 1 82 82 ALA N N 82 124.957 124.957 122.849 2.108 19367 1278 1 3 . 1 1 82 82 ALA HA H 82 3.789 3.789 4.077 -0.288 19367 1279 1 3 . 1 1 82 82 ALA CA C 82 55.415 55.415 54.656 0.759 19367 1280 1 3 . 1 1 82 82 ALA CB C 82 18.020 18.020 18.375 -0.355 19367 1281 1 3 . 1 1 82 82 ALA H H 82 8.037 8.037 7.721 0.316 19367 1282 1 3 . 1 1 83 83 LYS N N 83 116.190 116.190 117.469 -1.279 19367 1283 1 3 . 1 1 83 83 LYS HA H 83 3.815 3.815 4.038 -0.223 19367 1284 1 3 . 1 1 83 83 LYS CA C 83 60.160 60.160 58.820 1.340 19367 1285 1 3 . 1 1 83 83 LYS CB C 83 32.312 32.312 32.490 -0.178 19367 1286 1 3 . 1 1 83 83 LYS H H 83 8.314 8.314 7.708 0.606 19367 1287 1 3 . 1 1 84 84 ASN N N 84 117.083 117.083 117.606 -0.523 19367 1288 1 3 . 1 1 84 84 ASN HA H 84 4.486 4.486 4.498 -0.012 19367 1289 1 3 . 1 1 84 84 ASN CA C 84 55.213 55.213 55.136 0.077 19367 1290 1 3 . 1 1 84 84 ASN CB C 84 38.461 38.461 38.250 0.211 19367 1291 1 3 . 1 1 84 84 ASN H H 84 8.004 8.004 7.922 0.082 19367 1292 1 3 . 1 1 85 85 TYR N N 85 122.935 122.935 121.136 1.799 19367 1293 1 3 . 1 1 85 85 TYR HA H 85 4.147 4.147 4.288 -0.141 19367 1294 1 3 . 1 1 85 85 TYR CA C 85 61.408 61.408 61.300 0.108 19367 1295 1 3 . 1 1 85 85 TYR CB C 85 38.428 38.428 38.765 -0.337 19367 1296 1 3 . 1 1 85 85 TYR H H 85 7.935 7.935 7.551 0.384 19367 1297 1 3 . 1 1 86 86 LEU N N 86 119.119 119.119 117.400 1.719 19367 1298 1 3 . 1 1 86 86 LEU HA H 86 3.998 3.998 4.043 -0.045 19367 1299 1 3 . 1 1 86 86 LEU CA C 86 57.647 57.647 57.024 0.623 19367 1300 1 3 . 1 1 86 86 LEU CB C 86 41.906 41.906 42.015 -0.109 19367 1301 1 3 . 1 1 86 86 LEU H H 86 7.810 7.810 7.385 0.425 19367 1302 1 3 . 1 1 87 87 VAL N N 87 118.991 118.991 113.943 5.048 19367 1303 1 3 . 1 1 87 87 VAL HA H 87 3.806 3.806 4.047 -0.241 19367 1304 1 3 . 1 1 87 87 VAL CA C 87 64.989 64.989 63.761 1.228 19367 1305 1 3 . 1 1 87 87 VAL CB C 87 32.126 32.126 30.873 1.253 19367 1306 1 3 . 1 1 87 87 VAL H H 87 7.701 7.701 7.213 0.488 19367 1307 1 3 . 1 1 88 88 ALA N N 88 123.643 123.643 122.616 1.027 19367 1308 1 3 . 1 1 88 88 ALA HA H 88 4.088 4.088 4.205 -0.117 19367 1309 1 3 . 1 1 88 88 ALA CA C 88 54.188 54.188 54.778 -0.590 19367 1310 1 3 . 1 1 88 88 ALA CB C 88 18.460 18.460 18.482 -0.022 19367 1311 1 3 . 1 1 88 88 ALA H H 88 7.978 7.978 7.527 0.451 19367 1312 1 3 . 1 1 89 89 GLN N N 89 116.659 116.659 115.948 0.711 19367 1313 1 3 . 1 1 89 89 GLN HA H 89 4.024 4.024 4.424 -0.400 19367 1314 1 3 . 1 1 89 89 GLN CA C 89 56.818 56.818 56.158 0.660 19367 1315 1 3 . 1 1 89 89 GLN CB C 89 28.776 28.776 29.092 -0.316 19367 1316 1 3 . 1 1 89 89 GLN H H 89 7.974 7.974 7.754 0.220 19367 1317 1 3 . 1 1 90 90 GLY N N 90 107.464 107.464 108.356 -0.892 19367 1318 1 3 . 1 1 90 90 GLY CA C 90 45.782 45.782 45.954 -0.172 19367 1319 1 3 . 1 1 90 90 GLY H H 90 7.967 7.967 7.642 0.325 19367 1320 1 3 . 1 1 91 91 ARG N N 91 119.736 119.736 116.940 2.796 19367 1321 1 3 . 1 1 91 91 ARG HA H 91 4.299 4.299 4.516 -0.217 19367 1322 1 3 . 1 1 91 91 ARG CA C 91 56.216 56.216 54.667 1.549 19367 1323 1 3 . 1 1 91 91 ARG CB C 91 30.805 30.805 29.742 1.063 19367 1324 1 3 . 1 1 91 91 ARG H H 91 7.824 7.824 7.507 0.317 19367 1325 1 3 . 1 1 92 92 ARG N N 92 120.592 120.592 118.963 1.629 19367 1326 1 3 . 1 1 92 92 ARG HA H 92 4.270 4.270 4.268 0.002 19367 1327 1 3 . 1 1 92 92 ARG CA C 92 56.451 56.451 58.091 -1.640 19367 1328 1 3 . 1 1 92 92 ARG CB C 92 30.658 30.658 30.701 -0.043 19367 1329 1 3 . 1 1 92 92 ARG H H 92 8.038 8.038 7.567 0.471 19367 1330 1 3 . 1 1 93 93 LEU N N 93 122.274 122.274 118.535 3.739 19367 1331 1 3 . 1 1 93 93 LEU HA H 93 4.258 4.258 4.640 -0.382 19367 1332 1 3 . 1 1 93 93 LEU CA C 93 55.463 55.463 53.737 1.726 19367 1333 1 3 . 1 1 93 93 LEU CB C 93 42.203 42.203 41.841 0.362 19367 1334 1 3 . 1 1 93 93 LEU H H 93 8.147 8.147 7.445 0.702 19367 1335 1 3 . 1 1 94 94 GLU N N 94 120.794 120.794 121.506 -0.712 19367 1336 1 3 . 1 1 94 94 GLU HA H 94 4.249 4.249 4.104 0.145 19367 1337 1 3 . 1 1 94 94 GLU CA C 94 56.557 56.557 58.274 -1.717 19367 1338 1 3 . 1 1 94 94 GLU CB C 94 30.103 30.103 29.694 0.409 19367 1339 1 3 . 1 1 94 94 GLU H H 94 8.241 8.241 8.485 -0.244 19367 1340 1 3 . 1 1 95 95 LEU N N 95 122.290 122.290 119.394 2.896 19367 1341 1 3 . 1 1 95 95 LEU HA H 95 4.312 4.312 4.305 0.007 19367 1342 1 3 . 1 1 95 95 LEU CA C 95 55.080 55.080 55.356 -0.276 19367 1343 1 3 . 1 1 95 95 LEU CB C 95 42.130 42.130 41.554 0.576 19367 1344 1 3 . 1 1 95 95 LEU H H 95 8.068 8.068 8.044 0.024 19367 1345 1 4 . 1 1 4 4 GLN N N 4 121.848 121.848 118.562 3.286 19367 1346 1 4 . 1 1 4 4 GLN HA H 4 4.307 4.307 4.575 -0.268 19367 1347 1 4 . 1 1 4 4 GLN CA C 4 55.724 55.724 55.021 0.703 19367 1348 1 4 . 1 1 4 4 GLN CB C 4 29.297 29.297 30.181 -0.884 19367 1349 1 4 . 1 1 4 4 GLN H H 4 8.500 8.500 8.311 0.189 19367 1350 1 4 . 1 1 5 5 LEU N N 5 124.347 124.347 125.026 -0.679 19367 1351 1 4 . 1 1 5 5 LEU HA H 5 4.548 4.548 4.595 -0.047 19367 1352 1 4 . 1 1 5 5 LEU CA C 5 53.785 53.785 54.165 -0.380 19367 1353 1 4 . 1 1 5 5 LEU CB C 5 41.886 41.886 40.132 1.754 19367 1354 1 4 . 1 1 5 5 LEU H H 5 8.565 8.565 8.805 -0.240 19367 1355 1 4 . 1 1 6 6 THR N N 6 114.442 114.442 113.733 0.709 19367 1356 1 4 . 1 1 6 6 THR HA H 6 4.353 4.353 4.315 0.038 19367 1357 1 4 . 1 1 6 6 THR CA C 6 61.195 61.195 61.556 -0.361 19367 1358 1 4 . 1 1 6 6 THR CB C 6 70.541 70.541 70.566 -0.025 19367 1359 1 4 . 1 1 6 6 THR H H 6 7.950 7.950 7.729 0.221 19367 1360 1 4 . 1 1 7 7 ASP N N 7 120.959 120.959 119.170 1.789 19367 1361 1 4 . 1 1 7 7 ASP HA H 7 4.197 4.197 4.315 -0.118 19367 1362 1 4 . 1 1 7 7 ASP CA C 7 57.820 57.820 56.964 0.856 19367 1363 1 4 . 1 1 7 7 ASP CB C 7 39.621 39.621 40.405 -0.784 19367 1364 1 4 . 1 1 7 7 ASP H H 7 9.008 9.008 9.025 -0.017 19367 1365 1 4 . 1 1 8 8 GLN N N 8 116.649 116.649 119.244 -2.595 19367 1366 1 4 . 1 1 8 8 GLN HA H 8 4.012 4.012 4.304 -0.292 19367 1367 1 4 . 1 1 8 8 GLN CA C 8 59.746 59.746 58.276 1.470 19367 1368 1 4 . 1 1 8 8 GLN CB C 8 28.188 28.188 28.601 -0.413 19367 1369 1 4 . 1 1 8 8 GLN H H 8 8.561 8.561 7.590 0.971 19367 1370 1 4 . 1 1 9 9 VAL N N 9 120.579 120.579 120.876 -0.297 19367 1371 1 4 . 1 1 9 9 VAL HA H 9 3.760 3.760 4.154 -0.394 19367 1372 1 4 . 1 1 9 9 VAL CA C 9 66.108 66.108 63.788 2.320 19367 1373 1 4 . 1 1 9 9 VAL CB C 9 31.558 31.558 31.971 -0.413 19367 1374 1 4 . 1 1 9 9 VAL H H 9 7.450 7.450 7.376 0.074 19367 1375 1 4 . 1 1 10 10 LEU N N 10 119.806 119.806 120.866 -1.060 19367 1376 1 4 . 1 1 10 10 LEU HA H 10 3.917 3.917 4.168 -0.251 19367 1377 1 4 . 1 1 10 10 LEU CA C 10 58.415 58.415 57.835 0.580 19367 1378 1 4 . 1 1 10 10 LEU CB C 10 41.299 41.299 41.700 -0.401 19367 1379 1 4 . 1 1 10 10 LEU H H 10 7.865 7.865 8.079 -0.214 19367 1380 1 4 . 1 1 11 11 VAL N N 11 119.041 119.041 118.821 0.220 19367 1381 1 4 . 1 1 11 11 VAL HA H 11 3.280 3.280 3.505 -0.225 19367 1382 1 4 . 1 1 11 11 VAL CA C 11 67.631 67.631 66.571 1.060 19367 1383 1 4 . 1 1 11 11 VAL CB C 11 31.723 31.723 31.496 0.227 19367 1384 1 4 . 1 1 11 11 VAL H H 11 8.734 8.734 7.550 1.184 19367 1385 1 4 . 1 1 12 12 GLU N N 12 119.018 119.018 119.768 -0.750 19367 1386 1 4 . 1 1 12 12 GLU HA H 12 4.110 4.110 4.037 0.073 19367 1387 1 4 . 1 1 12 12 GLU CA C 12 59.514 59.514 59.042 0.472 19367 1388 1 4 . 1 1 12 12 GLU CB C 12 28.603 28.603 29.279 -0.676 19367 1389 1 4 . 1 1 12 12 GLU H H 12 7.802 7.802 7.590 0.212 19367 1390 1 4 . 1 1 13 13 ARG N N 13 117.242 117.242 119.802 -2.560 19367 1391 1 4 . 1 1 13 13 ARG HA H 13 4.011 4.011 4.122 -0.111 19367 1392 1 4 . 1 1 13 13 ARG CA C 13 60.016 60.016 59.133 0.883 19367 1393 1 4 . 1 1 13 13 ARG CB C 13 27.737 27.737 30.193 -2.456 19367 1394 1 4 . 1 1 13 13 ARG H H 13 8.107 8.107 7.798 0.309 19367 1395 1 4 . 1 1 14 14 VAL N N 14 121.430 121.430 119.359 2.071 19367 1396 1 4 . 1 1 14 14 VAL HA H 14 3.767 3.767 4.133 -0.366 19367 1397 1 4 . 1 1 14 14 VAL CA C 14 66.462 66.462 65.668 0.794 19367 1398 1 4 . 1 1 14 14 VAL CB C 14 31.616 31.616 31.939 -0.323 19367 1399 1 4 . 1 1 14 14 VAL H H 14 8.435 8.435 7.495 0.940 19367 1400 1 4 . 1 1 15 15 GLN N N 15 120.667 120.667 119.392 1.275 19367 1401 1 4 . 1 1 15 15 GLN HA H 15 4.088 4.088 4.099 -0.011 19367 1402 1 4 . 1 1 15 15 GLN CA C 15 58.628 58.628 58.207 0.421 19367 1403 1 4 . 1 1 15 15 GLN CB C 15 27.995 27.995 28.538 -0.543 19367 1404 1 4 . 1 1 15 15 GLN H H 15 8.670 8.670 7.685 0.985 19367 1405 1 4 . 1 1 16 16 LYS N N 16 116.797 116.797 117.451 -0.654 19367 1406 1 4 . 1 1 16 16 LYS HA H 16 4.374 4.374 4.282 0.092 19367 1407 1 4 . 1 1 16 16 LYS CA C 16 56.278 56.278 56.145 0.133 19367 1408 1 4 . 1 1 16 16 LYS CB C 16 32.299 32.299 32.095 0.204 19367 1409 1 4 . 1 1 16 16 LYS H H 16 7.700 7.700 7.495 0.204 19367 1410 1 4 . 1 1 17 17 GLY N N 17 107.001 107.001 108.003 -1.002 19367 1411 1 4 . 1 1 17 17 GLY CA C 17 45.608 45.608 44.944 0.664 19367 1412 1 4 . 1 1 17 17 GLY H H 17 7.927 7.927 7.799 0.128 19367 1413 1 4 . 1 1 18 18 ASP N N 18 121.666 121.666 121.822 -0.156 19367 1414 1 4 . 1 1 18 18 ASP HA H 18 4.769 4.769 4.713 0.056 19367 1415 1 4 . 1 1 18 18 ASP CA C 18 52.999 52.999 53.826 -0.827 19367 1416 1 4 . 1 1 18 18 ASP CB C 18 40.814 40.814 41.260 -0.446 19367 1417 1 4 . 1 1 18 18 ASP H H 18 8.255 8.255 7.602 0.653 19367 1418 1 4 . 1 1 19 19 GLN N N 19 124.874 124.874 125.663 -0.789 19367 1419 1 4 . 1 1 19 19 GLN HA H 19 4.150 4.150 4.356 -0.206 19367 1420 1 4 . 1 1 19 19 GLN CA C 19 58.922 58.922 58.036 0.886 19367 1421 1 4 . 1 1 19 19 GLN CB C 19 28.759 28.759 29.029 -0.270 19367 1422 1 4 . 1 1 19 19 GLN H H 19 8.392 8.392 8.660 -0.268 19367 1423 1 4 . 1 1 20 20 LYS N N 20 119.006 119.006 118.950 0.056 19367 1424 1 4 . 1 1 20 20 LYS HA H 20 4.118 4.118 4.189 -0.071 19367 1425 1 4 . 1 1 20 20 LYS CA C 20 58.642 58.642 58.078 0.564 19367 1426 1 4 . 1 1 20 20 LYS CB C 20 31.678 31.678 32.099 -0.421 19367 1427 1 4 . 1 1 20 20 LYS H H 20 8.348 8.348 8.198 0.150 19367 1428 1 4 . 1 1 21 21 ALA N N 21 121.687 121.687 121.771 -0.084 19367 1429 1 4 . 1 1 21 21 ALA HA H 21 4.010 4.010 4.183 -0.173 19367 1430 1 4 . 1 1 21 21 ALA CA C 21 54.485 54.485 54.708 -0.223 19367 1431 1 4 . 1 1 21 21 ALA CB C 21 18.634 18.634 18.161 0.473 19367 1432 1 4 . 1 1 21 21 ALA H H 21 7.500 7.500 8.220 -0.720 19367 1433 1 4 . 1 1 22 22 PHE N N 22 117.219 117.219 118.774 -1.555 19367 1434 1 4 . 1 1 22 22 PHE HA H 22 3.994 3.994 4.235 -0.241 19367 1435 1 4 . 1 1 22 22 PHE CA C 22 61.907 61.907 60.766 1.141 19367 1436 1 4 . 1 1 22 22 PHE CB C 22 38.571 38.571 39.575 -1.004 19367 1437 1 4 . 1 1 22 22 PHE H H 22 7.810 7.810 7.780 0.030 19367 1438 1 4 . 1 1 23 23 ASN N N 23 115.600 115.600 119.027 -3.427 19367 1439 1 4 . 1 1 23 23 ASN HA H 23 4.163 4.163 4.345 -0.182 19367 1440 1 4 . 1 1 23 23 ASN CA C 23 56.264 56.264 56.448 -0.184 19367 1441 1 4 . 1 1 23 23 ASN CB C 23 38.131 38.131 38.455 -0.324 19367 1442 1 4 . 1 1 23 23 ASN H H 23 7.711 7.711 7.725 -0.014 19367 1443 1 4 . 1 1 24 24 LEU N N 24 117.605 117.605 119.514 -1.909 19367 1444 1 4 . 1 1 24 24 LEU HA H 24 3.999 3.999 4.135 -0.136 19367 1445 1 4 . 1 1 24 24 LEU CA C 24 57.811 57.811 57.230 0.581 19367 1446 1 4 . 1 1 24 24 LEU CB C 24 41.367 41.367 40.997 0.370 19367 1447 1 4 . 1 1 24 24 LEU H H 24 7.344 7.344 7.622 -0.278 19367 1448 1 4 . 1 1 25 25 LEU N N 25 120.426 120.426 120.601 -0.175 19367 1449 1 4 . 1 1 25 25 LEU HA H 25 3.938 3.938 3.993 -0.055 19367 1450 1 4 . 1 1 25 25 LEU CA C 25 57.863 57.863 57.079 0.784 19367 1451 1 4 . 1 1 25 25 LEU CB C 25 41.479 41.479 41.673 -0.194 19367 1452 1 4 . 1 1 25 25 LEU H H 25 7.036 7.036 7.299 -0.263 19367 1453 1 4 . 1 1 26 26 VAL N N 26 119.676 119.676 119.323 0.353 19367 1454 1 4 . 1 1 26 26 VAL HA H 26 2.857 2.857 2.719 0.138 19367 1455 1 4 . 1 1 26 26 VAL CA C 26 65.821 65.821 66.486 -0.665 19367 1456 1 4 . 1 1 26 26 VAL CB C 26 30.816 30.816 31.220 -0.404 19367 1457 1 4 . 1 1 26 26 VAL H H 26 7.369 7.369 7.640 -0.271 19367 1458 1 4 . 1 1 27 27 VAL N N 27 117.098 117.098 117.219 -0.121 19367 1459 1 4 . 1 1 27 27 VAL HA H 27 3.542 3.542 3.660 -0.118 19367 1460 1 4 . 1 1 27 27 VAL CA C 27 65.837 65.837 65.841 -0.004 19367 1461 1 4 . 1 1 27 27 VAL CB C 27 31.728 31.728 31.265 0.463 19367 1462 1 4 . 1 1 27 27 VAL H H 27 7.816 7.816 7.759 0.057 19367 1463 1 4 . 1 1 28 28 ARG N N 28 118.592 118.592 118.851 -0.259 19367 1464 1 4 . 1 1 28 28 ARG HA H 28 3.838 3.838 4.041 -0.203 19367 1465 1 4 . 1 1 28 28 ARG CA C 28 59.356 59.356 58.456 0.900 19367 1466 1 4 . 1 1 28 28 ARG CB C 28 31.069 31.069 30.369 0.700 19367 1467 1 4 . 1 1 28 28 ARG H H 28 7.491 7.491 7.417 0.074 19367 1468 1 4 . 1 1 29 29 TYR N N 29 112.635 112.635 116.530 -3.895 19367 1469 1 4 . 1 1 29 29 TYR HA H 29 4.945 4.945 4.818 0.127 19367 1470 1 4 . 1 1 29 29 TYR CA C 29 60.438 60.438 58.031 2.407 19367 1471 1 4 . 1 1 29 29 TYR CB C 29 40.619 40.619 39.579 1.040 19367 1472 1 4 . 1 1 29 29 TYR H H 29 7.675 7.675 7.573 0.102 19367 1473 1 4 . 1 1 30 30 GLN N N 30 123.043 123.043 121.294 1.749 19367 1474 1 4 . 1 1 30 30 GLN HA H 30 4.119 4.119 4.401 -0.282 19367 1475 1 4 . 1 1 30 30 GLN CA C 30 61.409 61.409 59.676 1.733 19367 1476 1 4 . 1 1 30 30 GLN CB C 30 26.933 26.933 28.216 -1.283 19367 1477 1 4 . 1 1 30 30 GLN H H 30 9.056 9.056 8.418 0.638 19367 1478 1 4 . 1 1 31 31 HIS N N 31 118.704 118.704 115.550 3.154 19367 1479 1 4 . 1 1 31 31 HIS HA H 31 4.435 4.435 4.660 -0.225 19367 1480 1 4 . 1 1 31 31 HIS CA C 31 59.580 59.580 57.443 2.137 19367 1481 1 4 . 1 1 31 31 HIS CB C 31 29.396 29.396 29.427 -0.031 19367 1482 1 4 . 1 1 31 31 HIS H H 31 8.616 8.616 8.764 -0.148 19367 1483 1 4 . 1 1 32 32 LYS N N 32 122.594 122.594 120.064 2.530 19367 1484 1 4 . 1 1 32 32 LYS HA H 32 4.029 4.029 4.065 -0.036 19367 1485 1 4 . 1 1 32 32 LYS CA C 32 59.869 59.869 58.248 1.621 19367 1486 1 4 . 1 1 32 32 LYS CB C 32 32.580 32.580 32.548 0.032 19367 1487 1 4 . 1 1 32 32 LYS H H 32 7.848 7.848 7.040 0.808 19367 1488 1 4 . 1 1 33 33 VAL N N 33 119.621 119.621 119.530 0.091 19367 1489 1 4 . 1 1 33 33 VAL HA H 33 3.480 3.480 3.868 -0.388 19367 1490 1 4 . 1 1 33 33 VAL CA C 33 66.671 66.671 64.319 2.352 19367 1491 1 4 . 1 1 33 33 VAL CB C 33 31.142 31.142 31.930 -0.788 19367 1492 1 4 . 1 1 33 33 VAL H H 33 8.653 8.653 8.592 0.061 19367 1493 1 4 . 1 1 34 34 ALA N N 34 122.622 122.622 121.391 1.231 19367 1494 1 4 . 1 1 34 34 ALA HA H 34 3.736 3.736 4.072 -0.336 19367 1495 1 4 . 1 1 34 34 ALA CA C 34 55.762 55.762 54.956 0.806 19367 1496 1 4 . 1 1 34 34 ALA CB C 34 17.681 17.681 18.117 -0.436 19367 1497 1 4 . 1 1 34 34 ALA H H 34 8.498 8.498 7.708 0.790 19367 1498 1 4 . 1 1 35 35 SER N N 35 113.674 113.674 113.922 -0.248 19367 1499 1 4 . 1 1 35 35 SER HA H 35 4.040 4.040 4.274 -0.234 19367 1500 1 4 . 1 1 35 35 SER CA C 35 61.765 61.765 60.230 1.535 19367 1501 1 4 . 1 1 35 35 SER CB C 35 62.766 62.766 63.470 -0.704 19367 1502 1 4 . 1 1 35 35 SER H H 35 7.897 7.897 7.594 0.303 19367 1503 1 4 . 1 1 36 36 LEU N N 36 123.203 123.203 122.504 0.699 19367 1504 1 4 . 1 1 36 36 LEU HA H 36 3.992 3.992 4.224 -0.232 19367 1505 1 4 . 1 1 36 36 LEU CA C 36 57.863 57.863 57.557 0.306 19367 1506 1 4 . 1 1 36 36 LEU CB C 36 42.718 42.718 41.961 0.757 19367 1507 1 4 . 1 1 36 36 LEU H H 36 7.494 7.494 7.264 0.230 19367 1508 1 4 . 1 1 37 37 VAL N N 37 114.122 114.122 116.207 -2.085 19367 1509 1 4 . 1 1 37 37 VAL HA H 37 3.627 3.627 4.079 -0.452 19367 1510 1 4 . 1 1 37 37 VAL CA C 37 65.879 65.879 65.102 0.777 19367 1511 1 4 . 1 1 37 37 VAL CB C 37 31.214 31.214 30.576 0.638 19367 1512 1 4 . 1 1 37 37 VAL H H 37 8.530 8.530 8.230 0.300 19367 1513 1 4 . 1 1 38 38 SER N N 38 116.259 116.259 114.653 1.606 19367 1514 1 4 . 1 1 38 38 SER HA H 38 4.276 4.276 4.332 -0.056 19367 1515 1 4 . 1 1 38 38 SER CA C 38 60.898 60.898 60.221 0.676 19367 1516 1 4 . 1 1 38 38 SER CB C 38 63.143 63.143 63.089 0.054 19367 1517 1 4 . 1 1 38 38 SER H H 38 8.136 8.136 7.665 0.471 19367 1518 1 4 . 1 1 39 39 ARG N N 39 119.029 119.029 118.933 0.096 19367 1519 1 4 . 1 1 39 39 ARG HA H 39 3.995 3.995 3.955 0.040 19367 1520 1 4 . 1 1 39 39 ARG CA C 39 57.640 57.640 57.467 0.173 19367 1521 1 4 . 1 1 39 39 ARG CB C 39 29.719 29.719 29.945 -0.226 19367 1522 1 4 . 1 1 39 39 ARG H H 39 7.310 7.310 7.320 -0.010 19367 1523 1 4 . 1 1 40 40 TYR N N 40 114.123 114.123 114.657 -0.534 19367 1524 1 4 . 1 1 40 40 TYR HA H 40 4.472 4.472 4.608 -0.136 19367 1525 1 4 . 1 1 40 40 TYR CA C 40 59.298 59.298 57.833 1.465 19367 1526 1 4 . 1 1 40 40 TYR CB C 40 42.809 42.809 40.806 2.003 19367 1527 1 4 . 1 1 40 40 TYR H H 40 7.786 7.786 7.664 0.122 19367 1528 1 4 . 1 1 41 41 VAL N N 41 112.721 112.721 114.089 -1.368 19367 1529 1 4 . 1 1 41 41 VAL HA H 41 4.853 4.853 4.710 0.143 19367 1530 1 4 . 1 1 41 41 VAL CA C 41 57.942 57.942 58.273 -0.331 19367 1531 1 4 . 1 1 41 41 VAL CB C 41 33.171 33.171 33.154 0.017 19367 1532 1 4 . 1 1 41 41 VAL H H 41 7.388 7.388 7.579 -0.191 19367 1533 1 4 . 1 1 42 42 PRO HA H 42 4.415 4.415 4.667 -0.252 19367 1534 1 4 . 1 1 42 42 PRO CA C 42 62.645 62.645 63.183 -0.538 19367 1535 1 4 . 1 1 42 42 PRO CB C 42 32.603 32.603 32.361 0.242 19367 1536 1 4 . 1 1 43 43 SER N N 43 116.784 116.784 116.851 -0.067 19367 1537 1 4 . 1 1 43 43 SER HA H 43 4.009 4.009 4.203 -0.194 19367 1538 1 4 . 1 1 43 43 SER CA C 43 62.098 62.098 60.211 1.887 19367 1539 1 4 . 1 1 43 43 SER CB C 43 62.862 62.862 62.799 0.063 19367 1540 1 4 . 1 1 43 43 SER H H 43 8.602 8.602 8.499 0.103 19367 1541 1 4 . 1 1 44 44 GLY N N 44 107.756 107.756 109.003 -1.247 19367 1542 1 4 . 1 1 44 44 GLY CA C 44 46.503 46.503 45.576 0.927 19367 1543 1 4 . 1 1 44 44 GLY H H 44 8.812 8.812 8.246 0.566 19367 1544 1 4 . 1 1 45 45 ASP N N 45 117.822 117.822 119.999 -2.177 19367 1545 1 4 . 1 1 45 45 ASP HA H 45 4.875 4.875 4.806 0.069 19367 1546 1 4 . 1 1 45 45 ASP CA C 45 54.770 54.770 54.109 0.661 19367 1547 1 4 . 1 1 45 45 ASP CB C 45 42.593 42.593 42.510 0.083 19367 1548 1 4 . 1 1 45 45 ASP H H 45 7.764 7.764 7.977 -0.213 19367 1549 1 4 . 1 1 46 46 VAL N N 46 119.385 119.385 121.915 -2.530 19367 1550 1 4 . 1 1 46 46 VAL HA H 46 3.233 3.233 3.759 -0.526 19367 1551 1 4 . 1 1 46 46 VAL CA C 46 68.546 68.546 68.416 0.130 19367 1552 1 4 . 1 1 46 46 VAL CB C 46 29.851 29.851 29.414 0.437 19367 1553 1 4 . 1 1 46 46 VAL H H 46 7.148 7.148 7.565 -0.417 19367 1554 1 4 . 1 1 47 47 PRO HA H 47 4.113 4.113 4.269 -0.156 19367 1555 1 4 . 1 1 47 47 PRO CA C 47 66.527 66.527 65.999 0.528 19367 1556 1 4 . 1 1 47 47 PRO CB C 47 28.496 28.496 31.336 -2.840 19367 1557 1 4 . 1 1 48 48 ASP N N 48 116.654 116.654 117.996 -1.342 19367 1558 1 4 . 1 1 48 48 ASP HA H 48 4.384 4.384 4.474 -0.090 19367 1559 1 4 . 1 1 48 48 ASP CA C 48 57.268 57.268 56.687 0.581 19367 1560 1 4 . 1 1 48 48 ASP CB C 48 40.657 40.657 40.814 -0.157 19367 1561 1 4 . 1 1 48 48 ASP H H 48 7.473 7.473 7.497 -0.024 19367 1562 1 4 . 1 1 49 49 VAL N N 49 121.848 121.848 119.964 1.884 19367 1563 1 4 . 1 1 49 49 VAL HA H 49 3.364 3.364 3.680 -0.316 19367 1564 1 4 . 1 1 49 49 VAL CA C 49 66.354 66.354 65.699 0.655 19367 1565 1 4 . 1 1 49 49 VAL CB C 49 30.961 30.961 31.782 -0.821 19367 1566 1 4 . 1 1 49 49 VAL H H 49 7.600 7.600 7.635 -0.035 19367 1567 1 4 . 1 1 50 50 VAL N N 50 119.961 119.961 120.432 -0.471 19367 1568 1 4 . 1 1 50 50 VAL HA H 50 3.176 3.176 3.549 -0.373 19367 1569 1 4 . 1 1 50 50 VAL CA C 50 67.270 67.270 66.726 0.544 19367 1570 1 4 . 1 1 50 50 VAL CB C 50 31.662 31.662 31.580 0.082 19367 1571 1 4 . 1 1 50 50 VAL H H 50 8.567 8.567 8.482 0.085 19367 1572 1 4 . 1 1 51 51 GLN N N 51 116.203 116.203 118.078 -1.875 19367 1573 1 4 . 1 1 51 51 GLN HA H 51 4.204 4.204 4.233 -0.029 19367 1574 1 4 . 1 1 51 51 GLN CA C 51 59.334 59.334 58.781 0.553 19367 1575 1 4 . 1 1 51 51 GLN CB C 51 28.717 28.717 28.540 0.177 19367 1576 1 4 . 1 1 51 51 GLN H H 51 7.802 7.802 7.761 0.041 19367 1577 1 4 . 1 1 52 52 GLU N N 52 119.616 119.616 120.024 -0.408 19367 1578 1 4 . 1 1 52 52 GLU HA H 52 4.085 4.085 4.213 -0.128 19367 1579 1 4 . 1 1 52 52 GLU CA C 52 59.267 59.267 58.092 1.175 19367 1580 1 4 . 1 1 52 52 GLU CB C 52 29.178 29.178 29.628 -0.450 19367 1581 1 4 . 1 1 52 52 GLU H H 52 7.880 7.880 7.695 0.185 19367 1582 1 4 . 1 1 53 53 ALA N N 53 120.964 120.964 122.278 -1.314 19367 1583 1 4 . 1 1 53 53 ALA HA H 53 3.713 3.713 4.141 -0.428 19367 1584 1 4 . 1 1 53 53 ALA CA C 53 55.176 55.176 54.316 0.860 19367 1585 1 4 . 1 1 53 53 ALA CB C 53 16.573 16.573 18.439 -1.866 19367 1586 1 4 . 1 1 53 53 ALA H H 53 8.381 8.381 7.475 0.906 19367 1587 1 4 . 1 1 54 54 PHE N N 54 113.370 113.370 117.278 -3.908 19367 1588 1 4 . 1 1 54 54 PHE HA H 54 4.329 4.329 4.570 -0.241 19367 1589 1 4 . 1 1 54 54 PHE CA C 54 63.496 63.496 61.153 2.343 19367 1590 1 4 . 1 1 54 54 PHE CB C 54 39.097 39.097 39.226 -0.129 19367 1591 1 4 . 1 1 54 54 PHE H H 54 7.942 7.942 7.974 -0.032 19367 1592 1 4 . 1 1 55 55 ILE N N 55 121.983 121.983 119.607 2.376 19367 1593 1 4 . 1 1 55 55 ILE HA H 55 3.946 3.946 3.983 -0.037 19367 1594 1 4 . 1 1 55 55 ILE CA C 55 64.969 64.969 62.665 2.304 19367 1595 1 4 . 1 1 55 55 ILE CB C 55 37.589 37.589 37.469 0.120 19367 1596 1 4 . 1 1 55 55 ILE H H 55 8.373 8.373 7.788 0.585 19367 1597 1 4 . 1 1 56 56 LYS N N 56 120.661 120.661 120.883 -0.222 19367 1598 1 4 . 1 1 56 56 LYS HA H 56 3.860 3.860 4.160 -0.300 19367 1599 1 4 . 1 1 56 56 LYS CA C 56 59.835 59.835 58.450 1.385 19367 1600 1 4 . 1 1 56 56 LYS CB C 56 31.904 31.904 31.964 -0.060 19367 1601 1 4 . 1 1 56 56 LYS H H 56 8.318 8.318 7.750 0.568 19367 1602 1 4 . 1 1 57 57 ALA N N 57 119.884 119.884 122.036 -2.152 19367 1603 1 4 . 1 1 57 57 ALA HA H 57 3.784 3.784 4.211 -0.427 19367 1604 1 4 . 1 1 57 57 ALA CA C 57 54.552 54.552 54.718 -0.166 19367 1605 1 4 . 1 1 57 57 ALA CB C 57 18.251 18.251 18.514 -0.263 19367 1606 1 4 . 1 1 57 57 ALA H H 57 7.937 7.937 7.532 0.405 19367 1607 1 4 . 1 1 58 58 TYR N N 58 116.541 116.541 119.740 -3.199 19367 1608 1 4 . 1 1 58 58 TYR HA H 58 3.549 3.549 3.779 -0.230 19367 1609 1 4 . 1 1 58 58 TYR CA C 58 61.528 61.528 61.347 0.181 19367 1610 1 4 . 1 1 58 58 TYR CB C 58 37.885 37.885 38.493 -0.608 19367 1611 1 4 . 1 1 58 58 TYR H H 58 8.404 8.404 8.146 0.258 19367 1612 1 4 . 1 1 59 59 ARG N N 59 116.321 116.321 116.633 -0.312 19367 1613 1 4 . 1 1 59 59 ARG HA H 59 3.791 3.791 4.176 -0.385 19367 1614 1 4 . 1 1 59 59 ARG CA C 59 58.500 58.500 57.265 1.235 19367 1615 1 4 . 1 1 59 59 ARG CB C 59 30.268 30.268 30.295 -0.027 19367 1616 1 4 . 1 1 59 59 ARG H H 59 8.404 8.404 7.811 0.593 19367 1617 1 4 . 1 1 60 60 ALA N N 60 118.867 118.867 120.586 -1.719 19367 1618 1 4 . 1 1 60 60 ALA HA H 60 4.879 4.879 4.572 0.307 19367 1619 1 4 . 1 1 60 60 ALA CA C 60 51.372 51.372 52.078 -0.706 19367 1620 1 4 . 1 1 60 60 ALA CB C 60 20.539 20.539 19.938 0.601 19367 1621 1 4 . 1 1 60 60 ALA H H 60 7.630 7.630 7.495 0.135 19367 1622 1 4 . 1 1 61 61 LEU N N 61 124.902 124.902 120.914 3.988 19367 1623 1 4 . 1 1 61 61 LEU HA H 61 4.094 4.094 4.147 -0.053 19367 1624 1 4 . 1 1 61 61 LEU CA C 61 58.442 58.442 57.305 1.137 19367 1625 1 4 . 1 1 61 61 LEU CB C 61 42.290 42.290 42.111 0.179 19367 1626 1 4 . 1 1 61 61 LEU H H 61 7.598 7.598 8.166 -0.568 19367 1627 1 4 . 1 1 62 62 ASP N N 62 117.094 117.094 118.894 -1.800 19367 1628 1 4 . 1 1 62 62 ASP HA H 62 4.345 4.345 4.495 -0.150 19367 1629 1 4 . 1 1 62 62 ASP CA C 62 56.690 56.690 55.935 0.755 19367 1630 1 4 . 1 1 62 62 ASP CB C 62 39.812 39.812 40.585 -0.773 19367 1631 1 4 . 1 1 62 62 ASP H H 62 8.686 8.686 8.811 -0.125 19367 1632 1 4 . 1 1 63 63 SER N N 63 112.854 112.854 114.807 -1.953 19367 1633 1 4 . 1 1 63 63 SER HA H 63 4.554 4.554 4.531 0.023 19367 1634 1 4 . 1 1 63 63 SER CA C 63 58.052 58.052 57.283 0.769 19367 1635 1 4 . 1 1 63 63 SER CB C 63 64.719 64.719 64.430 0.289 19367 1636 1 4 . 1 1 63 63 SER H H 63 7.969 7.969 7.440 0.529 19367 1637 1 4 . 1 1 64 64 PHE N N 64 125.623 125.623 123.954 1.669 19367 1638 1 4 . 1 1 64 64 PHE HA H 64 4.238 4.238 3.959 0.279 19367 1639 1 4 . 1 1 64 64 PHE CA C 64 56.826 56.826 58.725 -1.899 19367 1640 1 4 . 1 1 64 64 PHE CB C 64 38.210 38.210 39.476 -1.266 19367 1641 1 4 . 1 1 64 64 PHE H H 64 7.383 7.383 7.411 -0.028 19367 1642 1 4 . 1 1 65 65 ARG N N 65 133.273 133.273 123.607 9.666 19367 1643 1 4 . 1 1 65 65 ARG HA H 65 3.861 3.861 4.130 -0.269 19367 1644 1 4 . 1 1 65 65 ARG CA C 65 57.826 57.826 55.728 2.098 19367 1645 1 4 . 1 1 65 65 ARG CB C 65 31.054 31.054 30.532 0.522 19367 1646 1 4 . 1 1 65 65 ARG H H 65 10.968 10.968 7.931 3.037 19367 1647 1 4 . 1 1 66 66 GLY N N 66 103.283 103.283 107.468 -4.185 19367 1648 1 4 . 1 1 66 66 GLY CA C 66 46.309 46.309 45.657 0.652 19367 1649 1 4 . 1 1 66 66 GLY H H 66 5.673 5.673 6.456 -0.783 19367 1650 1 4 . 1 1 67 67 ASP N N 67 120.001 120.001 118.986 1.015 19367 1651 1 4 . 1 1 67 67 ASP HA H 67 4.551 4.551 4.562 -0.011 19367 1652 1 4 . 1 1 67 67 ASP CA C 67 55.488 55.488 55.487 0.001 19367 1653 1 4 . 1 1 67 67 ASP CB C 67 40.655 40.655 41.060 -0.405 19367 1654 1 4 . 1 1 67 67 ASP H H 67 7.960 7.960 8.277 -0.317 19367 1655 1 4 . 1 1 68 68 SER N N 68 110.787 110.787 111.839 -1.052 19367 1656 1 4 . 1 1 68 68 SER HA H 68 4.633 4.633 4.650 -0.017 19367 1657 1 4 . 1 1 68 68 SER CA C 68 56.762 56.762 57.129 -0.367 19367 1658 1 4 . 1 1 68 68 SER CB C 68 67.439 67.439 64.631 2.808 19367 1659 1 4 . 1 1 68 68 SER H H 68 7.692 7.692 7.375 0.317 19367 1660 1 4 . 1 1 69 69 ALA N N 69 122.464 122.464 123.751 -1.287 19367 1661 1 4 . 1 1 69 69 ALA HA H 69 4.692 4.692 4.418 0.274 19367 1662 1 4 . 1 1 69 69 ALA CA C 69 52.674 52.674 52.708 -0.034 19367 1663 1 4 . 1 1 69 69 ALA CB C 69 18.751 18.751 19.639 -0.888 19367 1664 1 4 . 1 1 69 69 ALA H H 69 9.726 9.726 8.689 1.037 19367 1665 1 4 . 1 1 70 70 PHE N N 70 127.188 127.188 122.641 4.547 19367 1666 1 4 . 1 1 70 70 PHE HA H 70 4.085 4.085 4.203 -0.118 19367 1667 1 4 . 1 1 70 70 PHE CA C 70 62.108 62.108 61.392 0.716 19367 1668 1 4 . 1 1 70 70 PHE CB C 70 39.054 39.054 39.806 -0.752 19367 1669 1 4 . 1 1 70 70 PHE H H 70 9.774 9.774 8.779 0.995 19367 1670 1 4 . 1 1 71 71 TYR N N 71 117.533 117.533 118.454 -0.921 19367 1671 1 4 . 1 1 71 71 TYR HA H 71 3.449 3.449 3.862 -0.413 19367 1672 1 4 . 1 1 71 71 TYR CA C 71 61.684 61.684 60.748 0.936 19367 1673 1 4 . 1 1 71 71 TYR CB C 71 37.072 37.072 37.814 -0.742 19367 1674 1 4 . 1 1 71 71 TYR H H 71 9.720 9.720 8.781 0.939 19367 1675 1 4 . 1 1 72 72 THR N N 72 114.574 114.574 116.814 -2.240 19367 1676 1 4 . 1 1 72 72 THR HA H 72 5.436 5.436 3.898 1.538 19367 1677 1 4 . 1 1 72 72 THR CA C 72 63.426 63.426 66.418 -2.992 19367 1678 1 4 . 1 1 72 72 THR CB C 72 68.762 68.762 68.496 0.266 19367 1679 1 4 . 1 1 72 72 THR H H 72 6.675 6.675 7.741 -1.066 19367 1680 1 4 . 1 1 73 73 TRP N N 73 123.561 123.561 122.927 0.634 19367 1681 1 4 . 1 1 73 73 TRP HA H 73 3.956 3.956 4.511 -0.555 19367 1682 1 4 . 1 1 73 73 TRP CA C 73 62.112 62.112 60.086 2.026 19367 1683 1 4 . 1 1 73 73 TRP CB C 73 28.971 28.971 29.512 -0.541 19367 1684 1 4 . 1 1 73 73 TRP H H 73 6.924 6.924 7.328 -0.404 19367 1685 1 4 . 1 1 74 74 LEU N N 74 118.760 118.760 121.482 -2.722 19367 1686 1 4 . 1 1 74 74 LEU HA H 74 2.960 2.960 3.352 -0.392 19367 1687 1 4 . 1 1 74 74 LEU CA C 74 57.105 57.105 56.883 0.222 19367 1688 1 4 . 1 1 74 74 LEU CB C 74 41.503 41.503 41.360 0.143 19367 1689 1 4 . 1 1 74 74 LEU H H 74 7.903 7.903 7.794 0.109 19367 1690 1 4 . 1 1 75 75 TYR N N 75 119.616 119.616 118.522 1.094 19367 1691 1 4 . 1 1 75 75 TYR HA H 75 2.928 2.928 3.717 -0.789 19367 1692 1 4 . 1 1 75 75 TYR CA C 75 60.187 60.187 61.270 -1.083 19367 1693 1 4 . 1 1 75 75 TYR CB C 75 37.987 37.987 38.089 -0.102 19367 1694 1 4 . 1 1 75 75 TYR H H 75 8.717 8.717 8.107 0.610 19367 1695 1 4 . 1 1 76 76 ARG N N 76 116.789 116.789 117.332 -0.543 19367 1696 1 4 . 1 1 76 76 ARG HA H 76 3.634 3.634 4.039 -0.405 19367 1697 1 4 . 1 1 76 76 ARG CA C 76 56.003 56.003 58.131 -2.128 19367 1698 1 4 . 1 1 76 76 ARG CB C 76 27.476 27.476 29.705 -2.229 19367 1699 1 4 . 1 1 76 76 ARG H H 76 6.809 6.809 7.466 -0.657 19367 1700 1 4 . 1 1 77 77 ILE N N 77 117.721 117.721 119.618 -1.897 19367 1701 1 4 . 1 1 77 77 ILE HA H 77 2.853 2.853 3.602 -0.749 19367 1702 1 4 . 1 1 77 77 ILE CA C 77 65.599 65.599 64.549 1.050 19367 1703 1 4 . 1 1 77 77 ILE CB C 77 36.937 36.937 37.196 -0.259 19367 1704 1 4 . 1 1 77 77 ILE H H 77 7.316 7.316 7.110 0.206 19367 1705 1 4 . 1 1 78 78 ALA N N 78 125.528 125.528 122.939 2.589 19367 1706 1 4 . 1 1 78 78 ALA HA H 78 3.369 3.369 3.836 -0.467 19367 1707 1 4 . 1 1 78 78 ALA CA C 78 55.876 55.876 54.962 0.914 19367 1708 1 4 . 1 1 78 78 ALA CB C 78 17.833 17.833 18.096 -0.263 19367 1709 1 4 . 1 1 78 78 ALA H H 78 8.788 8.788 8.105 0.683 19367 1710 1 4 . 1 1 79 79 VAL N N 79 117.392 117.392 117.848 -0.456 19367 1711 1 4 . 1 1 79 79 VAL HA H 79 2.819 2.819 3.585 -0.766 19367 1712 1 4 . 1 1 79 79 VAL CA C 79 67.174 67.174 64.873 2.302 19367 1713 1 4 . 1 1 79 79 VAL CB C 79 31.642 31.642 31.475 0.167 19367 1714 1 4 . 1 1 79 79 VAL H H 79 8.046 8.046 7.624 0.422 19367 1715 1 4 . 1 1 80 80 ASN N N 80 117.152 117.152 117.446 -0.294 19367 1716 1 4 . 1 1 80 80 ASN HA H 80 4.368 4.368 4.547 -0.179 19367 1717 1 4 . 1 1 80 80 ASN CA C 80 55.630 55.630 55.495 0.135 19367 1718 1 4 . 1 1 80 80 ASN CB C 80 36.752 36.752 38.133 -1.381 19367 1719 1 4 . 1 1 80 80 ASN H H 80 8.146 8.146 7.726 0.420 19367 1720 1 4 . 1 1 81 81 THR N N 81 119.140 119.140 117.053 2.087 19367 1721 1 4 . 1 1 81 81 THR HA H 81 3.795 3.795 4.110 -0.315 19367 1722 1 4 . 1 1 81 81 THR CA C 81 67.441 67.441 65.588 1.853 19367 1723 1 4 . 1 1 81 81 THR CB C 81 68.102 68.102 68.691 -0.589 19367 1724 1 4 . 1 1 81 81 THR H H 81 8.320 8.320 7.946 0.374 19367 1725 1 4 . 1 1 82 82 ALA N N 82 124.957 124.957 124.016 0.941 19367 1726 1 4 . 1 1 82 82 ALA HA H 82 3.789 3.789 4.084 -0.295 19367 1727 1 4 . 1 1 82 82 ALA CA C 82 55.415 55.415 54.844 0.571 19367 1728 1 4 . 1 1 82 82 ALA CB C 82 18.020 18.020 18.403 -0.383 19367 1729 1 4 . 1 1 82 82 ALA H H 82 8.037 8.037 7.767 0.270 19367 1730 1 4 . 1 1 83 83 LYS N N 83 116.190 116.190 116.326 -0.136 19367 1731 1 4 . 1 1 83 83 LYS HA H 83 3.815 3.815 4.032 -0.217 19367 1732 1 4 . 1 1 83 83 LYS CA C 83 60.160 60.160 58.938 1.222 19367 1733 1 4 . 1 1 83 83 LYS CB C 83 32.312 32.312 32.339 -0.027 19367 1734 1 4 . 1 1 83 83 LYS H H 83 8.314 8.314 7.846 0.468 19367 1735 1 4 . 1 1 84 84 ASN N N 84 117.083 117.083 118.051 -0.968 19367 1736 1 4 . 1 1 84 84 ASN HA H 84 4.486 4.486 4.518 -0.032 19367 1737 1 4 . 1 1 84 84 ASN CA C 84 55.213 55.213 54.909 0.304 19367 1738 1 4 . 1 1 84 84 ASN CB C 84 38.461 38.461 38.444 0.017 19367 1739 1 4 . 1 1 84 84 ASN H H 84 8.004 8.004 7.618 0.386 19367 1740 1 4 . 1 1 85 85 TYR N N 85 122.935 122.935 121.070 1.865 19367 1741 1 4 . 1 1 85 85 TYR HA H 85 4.147 4.147 4.299 -0.152 19367 1742 1 4 . 1 1 85 85 TYR CA C 85 61.408 61.408 61.201 0.207 19367 1743 1 4 . 1 1 85 85 TYR CB C 85 38.428 38.428 38.704 -0.276 19367 1744 1 4 . 1 1 85 85 TYR H H 85 7.935 7.935 7.597 0.338 19367 1745 1 4 . 1 1 86 86 LEU N N 86 119.119 119.119 117.829 1.290 19367 1746 1 4 . 1 1 86 86 LEU HA H 86 3.998 3.998 3.905 0.093 19367 1747 1 4 . 1 1 86 86 LEU CA C 86 57.647 57.647 57.295 0.352 19367 1748 1 4 . 1 1 86 86 LEU CB C 86 41.906 41.906 42.020 -0.114 19367 1749 1 4 . 1 1 86 86 LEU H H 86 7.810 7.810 7.569 0.241 19367 1750 1 4 . 1 1 87 87 VAL N N 87 118.991 118.991 114.573 4.418 19367 1751 1 4 . 1 1 87 87 VAL HA H 87 3.806 3.806 3.997 -0.191 19367 1752 1 4 . 1 1 87 87 VAL CA C 87 64.989 64.989 64.130 0.859 19367 1753 1 4 . 1 1 87 87 VAL CB C 87 32.126 32.126 30.837 1.289 19367 1754 1 4 . 1 1 87 87 VAL H H 87 7.701 7.701 7.375 0.326 19367 1755 1 4 . 1 1 88 88 ALA N N 88 123.643 123.643 121.862 1.781 19367 1756 1 4 . 1 1 88 88 ALA HA H 88 4.088 4.088 4.075 0.013 19367 1757 1 4 . 1 1 88 88 ALA CA C 88 54.188 54.188 54.267 -0.079 19367 1758 1 4 . 1 1 88 88 ALA CB C 88 18.460 18.460 18.732 -0.272 19367 1759 1 4 . 1 1 88 88 ALA H H 88 7.978 7.978 7.343 0.635 19367 1760 1 4 . 1 1 89 89 GLN N N 89 116.659 116.659 114.967 1.692 19367 1761 1 4 . 1 1 89 89 GLN HA H 89 4.024 4.024 4.380 -0.356 19367 1762 1 4 . 1 1 89 89 GLN CA C 89 56.818 56.818 56.159 0.659 19367 1763 1 4 . 1 1 89 89 GLN CB C 89 28.776 28.776 29.760 -0.984 19367 1764 1 4 . 1 1 89 89 GLN H H 89 7.974 7.974 7.595 0.379 19367 1765 1 4 . 1 1 90 90 GLY N N 90 107.464 107.464 108.683 -1.219 19367 1766 1 4 . 1 1 90 90 GLY CA C 90 45.782 45.782 45.873 -0.091 19367 1767 1 4 . 1 1 90 90 GLY H H 90 7.967 7.967 7.765 0.202 19367 1768 1 4 . 1 1 91 91 ARG N N 91 119.736 119.736 118.715 1.021 19367 1769 1 4 . 1 1 91 91 ARG HA H 91 4.299 4.299 4.508 -0.209 19367 1770 1 4 . 1 1 91 91 ARG CA C 91 56.216 56.216 55.474 0.742 19367 1771 1 4 . 1 1 91 91 ARG CB C 91 30.805 30.805 30.238 0.567 19367 1772 1 4 . 1 1 91 91 ARG H H 91 7.824 7.824 7.481 0.343 19367 1773 1 4 . 1 1 92 92 ARG N N 92 120.592 120.592 120.287 0.305 19367 1774 1 4 . 1 1 92 92 ARG HA H 92 4.270 4.270 4.178 0.092 19367 1775 1 4 . 1 1 92 92 ARG CA C 92 56.451 56.451 58.420 -1.969 19367 1776 1 4 . 1 1 92 92 ARG CB C 92 30.658 30.658 30.311 0.348 19367 1777 1 4 . 1 1 92 92 ARG H H 92 8.038 8.038 7.810 0.228 19367 1778 1 4 . 1 1 93 93 LEU N N 93 122.274 122.274 117.389 4.885 19367 1779 1 4 . 1 1 93 93 LEU HA H 93 4.258 4.258 4.483 -0.225 19367 1780 1 4 . 1 1 93 93 LEU CA C 93 55.463 55.463 54.455 1.008 19367 1781 1 4 . 1 1 93 93 LEU CB C 93 42.203 42.203 43.614 -1.411 19367 1782 1 4 . 1 1 93 93 LEU H H 93 8.147 8.147 7.490 0.657 19367 1783 1 4 . 1 1 94 94 GLU N N 94 120.794 120.794 118.976 1.818 19367 1784 1 4 . 1 1 94 94 GLU HA H 94 4.249 4.249 4.027 0.222 19367 1785 1 4 . 1 1 94 94 GLU CA C 94 56.557 56.557 57.862 -1.305 19367 1786 1 4 . 1 1 94 94 GLU CB C 94 30.103 30.103 28.894 1.209 19367 1787 1 4 . 1 1 94 94 GLU H H 94 8.241 8.241 8.033 0.208 19367 1788 1 4 . 1 1 95 95 LEU N N 95 122.290 122.290 116.754 5.536 19367 1789 1 4 . 1 1 95 95 LEU HA H 95 4.312 4.312 4.434 -0.122 19367 1790 1 4 . 1 1 95 95 LEU CA C 95 55.080 55.080 55.651 -0.571 19367 1791 1 4 . 1 1 95 95 LEU CB C 95 42.130 42.130 43.344 -1.214 19367 1792 1 4 . 1 1 95 95 LEU H H 95 8.068 8.068 7.792 0.276 19367 1793 1 5 . 1 1 4 4 GLN N N 4 121.848 121.848 119.487 2.361 19367 1794 1 5 . 1 1 4 4 GLN HA H 4 4.307 4.307 4.440 -0.133 19367 1795 1 5 . 1 1 4 4 GLN CA C 4 55.724 55.724 55.233 0.491 19367 1796 1 5 . 1 1 4 4 GLN CB C 4 29.297 29.297 30.408 -1.111 19367 1797 1 5 . 1 1 4 4 GLN H H 4 8.500 8.500 7.619 0.881 19367 1798 1 5 . 1 1 5 5 LEU N N 5 124.347 124.347 127.055 -2.708 19367 1799 1 5 . 1 1 5 5 LEU HA H 5 4.548 4.548 4.524 0.024 19367 1800 1 5 . 1 1 5 5 LEU CA C 5 53.785 53.785 54.504 -0.719 19367 1801 1 5 . 1 1 5 5 LEU CB C 5 41.886 41.886 40.568 1.319 19367 1802 1 5 . 1 1 5 5 LEU H H 5 8.565 8.565 8.699 -0.134 19367 1803 1 5 . 1 1 6 6 THR N N 6 114.442 114.442 114.140 0.302 19367 1804 1 5 . 1 1 6 6 THR HA H 6 4.353 4.353 4.330 0.023 19367 1805 1 5 . 1 1 6 6 THR CA C 6 61.195 61.195 61.425 -0.230 19367 1806 1 5 . 1 1 6 6 THR CB C 6 70.541 70.541 70.471 0.070 19367 1807 1 5 . 1 1 6 6 THR H H 6 7.950 7.950 7.782 0.168 19367 1808 1 5 . 1 1 7 7 ASP N N 7 120.959 120.959 118.289 2.670 19367 1809 1 5 . 1 1 7 7 ASP HA H 7 4.197 4.197 4.308 -0.111 19367 1810 1 5 . 1 1 7 7 ASP CA C 7 57.820 57.820 56.834 0.987 19367 1811 1 5 . 1 1 7 7 ASP CB C 7 39.621 39.621 40.238 -0.617 19367 1812 1 5 . 1 1 7 7 ASP H H 7 9.008 9.008 8.982 0.026 19367 1813 1 5 . 1 1 8 8 GLN N N 8 116.649 116.649 120.125 -3.476 19367 1814 1 5 . 1 1 8 8 GLN HA H 8 4.012 4.012 4.238 -0.226 19367 1815 1 5 . 1 1 8 8 GLN CA C 8 59.746 59.746 58.567 1.179 19367 1816 1 5 . 1 1 8 8 GLN CB C 8 28.188 28.188 28.944 -0.756 19367 1817 1 5 . 1 1 8 8 GLN H H 8 8.561 8.561 7.615 0.946 19367 1818 1 5 . 1 1 9 9 VAL N N 9 120.579 120.579 117.121 3.458 19367 1819 1 5 . 1 1 9 9 VAL HA H 9 3.760 3.760 4.082 -0.322 19367 1820 1 5 . 1 1 9 9 VAL CA C 9 66.108 66.108 64.638 1.470 19367 1821 1 5 . 1 1 9 9 VAL CB C 9 31.558 31.558 31.367 0.191 19367 1822 1 5 . 1 1 9 9 VAL H H 9 7.450 7.450 7.452 -0.002 19367 1823 1 5 . 1 1 10 10 LEU N N 10 119.806 119.806 120.817 -1.011 19367 1824 1 5 . 1 1 10 10 LEU HA H 10 3.917 3.917 4.212 -0.295 19367 1825 1 5 . 1 1 10 10 LEU CA C 10 58.415 58.415 57.774 0.641 19367 1826 1 5 . 1 1 10 10 LEU CB C 10 41.299 41.299 41.704 -0.405 19367 1827 1 5 . 1 1 10 10 LEU H H 10 7.865 7.865 7.824 0.041 19367 1828 1 5 . 1 1 11 11 VAL N N 11 119.041 119.041 118.865 0.176 19367 1829 1 5 . 1 1 11 11 VAL HA H 11 3.280 3.280 3.556 -0.276 19367 1830 1 5 . 1 1 11 11 VAL CA C 11 67.631 67.631 66.473 1.158 19367 1831 1 5 . 1 1 11 11 VAL CB C 11 31.723 31.723 31.552 0.171 19367 1832 1 5 . 1 1 11 11 VAL H H 11 8.734 8.734 7.444 1.290 19367 1833 1 5 . 1 1 12 12 GLU N N 12 119.018 119.018 119.539 -0.521 19367 1834 1 5 . 1 1 12 12 GLU HA H 12 4.110 4.110 4.058 0.052 19367 1835 1 5 . 1 1 12 12 GLU CA C 12 59.514 59.514 58.923 0.591 19367 1836 1 5 . 1 1 12 12 GLU CB C 12 28.603 28.603 29.322 -0.719 19367 1837 1 5 . 1 1 12 12 GLU H H 12 7.802 7.802 7.598 0.204 19367 1838 1 5 . 1 1 13 13 ARG N N 13 117.242 117.242 120.054 -2.812 19367 1839 1 5 . 1 1 13 13 ARG HA H 13 4.011 4.011 4.144 -0.133 19367 1840 1 5 . 1 1 13 13 ARG CA C 13 60.016 60.016 59.076 0.940 19367 1841 1 5 . 1 1 13 13 ARG CB C 13 27.737 27.737 30.286 -2.549 19367 1842 1 5 . 1 1 13 13 ARG H H 13 8.107 8.107 7.883 0.224 19367 1843 1 5 . 1 1 14 14 VAL N N 14 121.430 121.430 119.148 2.282 19367 1844 1 5 . 1 1 14 14 VAL HA H 14 3.767 3.767 4.092 -0.325 19367 1845 1 5 . 1 1 14 14 VAL CA C 14 66.462 66.462 65.111 1.351 19367 1846 1 5 . 1 1 14 14 VAL CB C 14 31.616 31.616 31.856 -0.240 19367 1847 1 5 . 1 1 14 14 VAL H H 14 8.435 8.435 7.496 0.939 19367 1848 1 5 . 1 1 15 15 GLN N N 15 120.667 120.667 118.767 1.900 19367 1849 1 5 . 1 1 15 15 GLN HA H 15 4.088 4.088 4.124 -0.036 19367 1850 1 5 . 1 1 15 15 GLN CA C 15 58.628 58.628 58.146 0.482 19367 1851 1 5 . 1 1 15 15 GLN CB C 15 27.995 27.995 28.573 -0.578 19367 1852 1 5 . 1 1 15 15 GLN H H 15 8.670 8.670 7.730 0.940 19367 1853 1 5 . 1 1 16 16 LYS N N 16 116.797 116.797 117.849 -1.052 19367 1854 1 5 . 1 1 16 16 LYS HA H 16 4.374 4.374 4.306 0.068 19367 1855 1 5 . 1 1 16 16 LYS CA C 16 56.278 56.278 56.231 0.047 19367 1856 1 5 . 1 1 16 16 LYS CB C 16 32.299 32.299 32.486 -0.187 19367 1857 1 5 . 1 1 16 16 LYS H H 16 7.700 7.700 7.667 0.033 19367 1858 1 5 . 1 1 17 17 GLY N N 17 107.001 107.001 107.968 -0.967 19367 1859 1 5 . 1 1 17 17 GLY CA C 17 45.608 45.608 44.929 0.679 19367 1860 1 5 . 1 1 17 17 GLY H H 17 7.927 7.927 7.777 0.150 19367 1861 1 5 . 1 1 18 18 ASP N N 18 121.666 121.666 121.854 -0.188 19367 1862 1 5 . 1 1 18 18 ASP HA H 18 4.769 4.769 4.707 0.062 19367 1863 1 5 . 1 1 18 18 ASP CA C 18 52.999 52.999 53.872 -0.873 19367 1864 1 5 . 1 1 18 18 ASP CB C 18 40.814 40.814 41.276 -0.462 19367 1865 1 5 . 1 1 18 18 ASP H H 18 8.255 8.255 7.596 0.659 19367 1866 1 5 . 1 1 19 19 GLN N N 19 124.874 124.874 125.676 -0.802 19367 1867 1 5 . 1 1 19 19 GLN HA H 19 4.150 4.150 4.366 -0.216 19367 1868 1 5 . 1 1 19 19 GLN CA C 19 58.922 58.922 58.091 0.831 19367 1869 1 5 . 1 1 19 19 GLN CB C 19 28.759 28.759 29.038 -0.279 19367 1870 1 5 . 1 1 19 19 GLN H H 19 8.392 8.392 8.659 -0.267 19367 1871 1 5 . 1 1 20 20 LYS N N 20 119.006 119.006 118.924 0.082 19367 1872 1 5 . 1 1 20 20 LYS HA H 20 4.118 4.118 4.184 -0.066 19367 1873 1 5 . 1 1 20 20 LYS CA C 20 58.642 58.642 58.105 0.537 19367 1874 1 5 . 1 1 20 20 LYS CB C 20 31.678 31.678 32.104 -0.426 19367 1875 1 5 . 1 1 20 20 LYS H H 20 8.348 8.348 8.145 0.203 19367 1876 1 5 . 1 1 21 21 ALA N N 21 121.687 121.687 121.732 -0.045 19367 1877 1 5 . 1 1 21 21 ALA HA H 21 4.010 4.010 4.181 -0.171 19367 1878 1 5 . 1 1 21 21 ALA CA C 21 54.485 54.485 54.711 -0.226 19367 1879 1 5 . 1 1 21 21 ALA CB C 21 18.634 18.634 18.170 0.464 19367 1880 1 5 . 1 1 21 21 ALA H H 21 7.500 7.500 8.197 -0.697 19367 1881 1 5 . 1 1 22 22 PHE N N 22 117.219 117.219 118.755 -1.536 19367 1882 1 5 . 1 1 22 22 PHE HA H 22 3.994 3.994 4.245 -0.251 19367 1883 1 5 . 1 1 22 22 PHE CA C 22 61.907 61.907 60.724 1.183 19367 1884 1 5 . 1 1 22 22 PHE CB C 22 38.571 38.571 39.588 -1.017 19367 1885 1 5 . 1 1 22 22 PHE H H 22 7.810 7.810 7.785 0.025 19367 1886 1 5 . 1 1 23 23 ASN N N 23 115.600 115.600 119.046 -3.446 19367 1887 1 5 . 1 1 23 23 ASN HA H 23 4.163 4.163 4.349 -0.186 19367 1888 1 5 . 1 1 23 23 ASN CA C 23 56.264 56.264 56.438 -0.174 19367 1889 1 5 . 1 1 23 23 ASN CB C 23 38.131 38.131 38.462 -0.331 19367 1890 1 5 . 1 1 23 23 ASN H H 23 7.711 7.711 7.737 -0.026 19367 1891 1 5 . 1 1 24 24 LEU N N 24 117.605 117.605 119.421 -1.816 19367 1892 1 5 . 1 1 24 24 LEU HA H 24 3.999 3.999 4.149 -0.150 19367 1893 1 5 . 1 1 24 24 LEU CA C 24 57.811 57.811 57.128 0.683 19367 1894 1 5 . 1 1 24 24 LEU CB C 24 41.367 41.367 41.005 0.362 19367 1895 1 5 . 1 1 24 24 LEU H H 24 7.344 7.344 7.623 -0.279 19367 1896 1 5 . 1 1 25 25 LEU N N 25 120.426 120.426 120.697 -0.271 19367 1897 1 5 . 1 1 25 25 LEU HA H 25 3.938 3.938 4.079 -0.141 19367 1898 1 5 . 1 1 25 25 LEU CA C 25 57.863 57.863 57.492 0.371 19367 1899 1 5 . 1 1 25 25 LEU CB C 25 41.479 41.479 41.529 -0.050 19367 1900 1 5 . 1 1 25 25 LEU H H 25 7.036 7.036 7.221 -0.185 19367 1901 1 5 . 1 1 26 26 VAL N N 26 119.676 119.676 119.560 0.116 19367 1902 1 5 . 1 1 26 26 VAL HA H 26 2.857 2.857 2.749 0.108 19367 1903 1 5 . 1 1 26 26 VAL CA C 26 65.821 65.821 66.534 -0.713 19367 1904 1 5 . 1 1 26 26 VAL CB C 26 30.816 30.816 30.986 -0.170 19367 1905 1 5 . 1 1 26 26 VAL H H 26 7.369 7.369 7.653 -0.284 19367 1906 1 5 . 1 1 27 27 VAL N N 27 117.098 117.098 117.866 -0.768 19367 1907 1 5 . 1 1 27 27 VAL HA H 27 3.542 3.542 3.608 -0.066 19367 1908 1 5 . 1 1 27 27 VAL CA C 27 65.837 65.837 65.692 0.145 19367 1909 1 5 . 1 1 27 27 VAL CB C 27 31.728 31.728 31.373 0.355 19367 1910 1 5 . 1 1 27 27 VAL H H 27 7.816 7.816 7.693 0.123 19367 1911 1 5 . 1 1 28 28 ARG N N 28 118.592 118.592 118.839 -0.247 19367 1912 1 5 . 1 1 28 28 ARG HA H 28 3.838 3.838 3.988 -0.150 19367 1913 1 5 . 1 1 28 28 ARG CA C 28 59.356 59.356 58.407 0.949 19367 1914 1 5 . 1 1 28 28 ARG CB C 28 31.069 31.069 30.361 0.708 19367 1915 1 5 . 1 1 28 28 ARG H H 28 7.491 7.491 7.411 0.080 19367 1916 1 5 . 1 1 29 29 TYR N N 29 112.635 112.635 116.623 -3.988 19367 1917 1 5 . 1 1 29 29 TYR HA H 29 4.945 4.945 4.948 -0.003 19367 1918 1 5 . 1 1 29 29 TYR CA C 29 60.438 60.438 58.206 2.232 19367 1919 1 5 . 1 1 29 29 TYR CB C 29 40.619 40.619 39.647 0.972 19367 1920 1 5 . 1 1 29 29 TYR H H 29 7.675 7.675 7.558 0.117 19367 1921 1 5 . 1 1 30 30 GLN N N 30 123.043 123.043 121.509 1.534 19367 1922 1 5 . 1 1 30 30 GLN HA H 30 4.119 4.119 4.376 -0.257 19367 1923 1 5 . 1 1 30 30 GLN CA C 30 61.409 61.409 59.687 1.722 19367 1924 1 5 . 1 1 30 30 GLN CB C 30 26.933 26.933 28.061 -1.128 19367 1925 1 5 . 1 1 30 30 GLN H H 30 9.056 9.056 8.368 0.688 19367 1926 1 5 . 1 1 31 31 HIS N N 31 118.704 118.704 118.983 -0.279 19367 1927 1 5 . 1 1 31 31 HIS HA H 31 4.435 4.435 4.546 -0.111 19367 1928 1 5 . 1 1 31 31 HIS CA C 31 59.580 59.580 58.383 1.196 19367 1929 1 5 . 1 1 31 31 HIS CB C 31 29.396 29.396 30.192 -0.796 19367 1930 1 5 . 1 1 31 31 HIS H H 31 8.616 8.616 8.581 0.035 19367 1931 1 5 . 1 1 32 32 LYS N N 32 122.594 122.594 119.961 2.633 19367 1932 1 5 . 1 1 32 32 LYS HA H 32 4.029 4.029 4.168 -0.139 19367 1933 1 5 . 1 1 32 32 LYS CA C 32 59.869 59.869 59.182 0.687 19367 1934 1 5 . 1 1 32 32 LYS CB C 32 32.580 32.580 32.719 -0.139 19367 1935 1 5 . 1 1 32 32 LYS H H 32 7.848 7.848 7.632 0.216 19367 1936 1 5 . 1 1 33 33 VAL N N 33 119.621 119.621 119.464 0.157 19367 1937 1 5 . 1 1 33 33 VAL HA H 33 3.480 3.480 3.921 -0.441 19367 1938 1 5 . 1 1 33 33 VAL CA C 33 66.671 66.671 64.134 2.537 19367 1939 1 5 . 1 1 33 33 VAL CB C 33 31.142 31.142 31.569 -0.427 19367 1940 1 5 . 1 1 33 33 VAL H H 33 8.653 8.653 8.711 -0.058 19367 1941 1 5 . 1 1 34 34 ALA N N 34 122.622 122.622 121.876 0.746 19367 1942 1 5 . 1 1 34 34 ALA HA H 34 3.736 3.736 4.072 -0.336 19367 1943 1 5 . 1 1 34 34 ALA CA C 34 55.762 55.762 54.920 0.842 19367 1944 1 5 . 1 1 34 34 ALA CB C 34 17.681 17.681 18.202 -0.521 19367 1945 1 5 . 1 1 34 34 ALA H H 34 8.498 8.498 7.737 0.761 19367 1946 1 5 . 1 1 35 35 SER N N 35 113.674 113.674 114.144 -0.470 19367 1947 1 5 . 1 1 35 35 SER HA H 35 4.040 4.040 4.226 -0.186 19367 1948 1 5 . 1 1 35 35 SER CA C 35 61.765 61.765 61.520 0.245 19367 1949 1 5 . 1 1 35 35 SER CB C 35 62.766 62.766 63.071 -0.305 19367 1950 1 5 . 1 1 35 35 SER H H 35 7.897 7.897 7.539 0.358 19367 1951 1 5 . 1 1 36 36 LEU N N 36 123.203 123.203 123.193 0.010 19367 1952 1 5 . 1 1 36 36 LEU HA H 36 3.992 3.992 4.220 -0.228 19367 1953 1 5 . 1 1 36 36 LEU CA C 36 57.863 57.863 57.426 0.437 19367 1954 1 5 . 1 1 36 36 LEU CB C 36 42.718 42.718 41.798 0.920 19367 1955 1 5 . 1 1 36 36 LEU H H 36 7.494 7.494 7.245 0.249 19367 1956 1 5 . 1 1 37 37 VAL N N 37 114.122 114.122 114.660 -0.538 19367 1957 1 5 . 1 1 37 37 VAL HA H 37 3.627 3.627 3.994 -0.367 19367 1958 1 5 . 1 1 37 37 VAL CA C 37 65.879 65.879 65.461 0.418 19367 1959 1 5 . 1 1 37 37 VAL CB C 37 31.214 31.214 31.198 0.016 19367 1960 1 5 . 1 1 37 37 VAL H H 37 8.530 8.530 8.287 0.243 19367 1961 1 5 . 1 1 38 38 SER N N 38 116.259 116.259 116.571 -0.312 19367 1962 1 5 . 1 1 38 38 SER HA H 38 4.276 4.276 4.309 -0.033 19367 1963 1 5 . 1 1 38 38 SER CA C 38 60.898 60.898 60.619 0.279 19367 1964 1 5 . 1 1 38 38 SER CB C 38 63.143 63.143 62.846 0.297 19367 1965 1 5 . 1 1 38 38 SER H H 38 8.136 8.136 7.713 0.423 19367 1966 1 5 . 1 1 39 39 ARG N N 39 119.029 119.029 118.490 0.539 19367 1967 1 5 . 1 1 39 39 ARG HA H 39 3.995 3.995 3.971 0.024 19367 1968 1 5 . 1 1 39 39 ARG CA C 39 57.640 57.640 57.422 0.218 19367 1969 1 5 . 1 1 39 39 ARG CB C 39 29.719 29.719 30.083 -0.364 19367 1970 1 5 . 1 1 39 39 ARG H H 39 7.310 7.310 7.188 0.122 19367 1971 1 5 . 1 1 40 40 TYR N N 40 114.123 114.123 115.494 -1.371 19367 1972 1 5 . 1 1 40 40 TYR HA H 40 4.472 4.472 4.698 -0.226 19367 1973 1 5 . 1 1 40 40 TYR CA C 40 59.298 59.298 57.896 1.402 19367 1974 1 5 . 1 1 40 40 TYR CB C 40 42.809 42.809 41.079 1.730 19367 1975 1 5 . 1 1 40 40 TYR H H 40 7.786 7.786 7.778 0.008 19367 1976 1 5 . 1 1 41 41 VAL N N 41 112.721 112.721 114.400 -1.679 19367 1977 1 5 . 1 1 41 41 VAL HA H 41 4.853 4.853 4.744 0.109 19367 1978 1 5 . 1 1 41 41 VAL CA C 41 57.942 57.942 57.980 -0.038 19367 1979 1 5 . 1 1 41 41 VAL CB C 41 33.171 33.171 33.343 -0.172 19367 1980 1 5 . 1 1 41 41 VAL H H 41 7.388 7.388 7.751 -0.363 19367 1981 1 5 . 1 1 42 42 PRO HA H 42 4.415 4.415 4.769 -0.354 19367 1982 1 5 . 1 1 42 42 PRO CA C 42 62.645 62.645 62.639 0.006 19367 1983 1 5 . 1 1 42 42 PRO CB C 42 32.603 32.603 32.645 -0.042 19367 1984 1 5 . 1 1 43 43 SER N N 43 116.784 116.784 115.624 1.160 19367 1985 1 5 . 1 1 43 43 SER HA H 43 4.009 4.009 4.189 -0.180 19367 1986 1 5 . 1 1 43 43 SER CA C 43 62.098 62.098 60.179 1.919 19367 1987 1 5 . 1 1 43 43 SER CB C 43 62.862 62.862 62.681 0.181 19367 1988 1 5 . 1 1 43 43 SER H H 43 8.602 8.602 8.454 0.148 19367 1989 1 5 . 1 1 44 44 GLY N N 44 107.756 107.756 108.326 -0.570 19367 1990 1 5 . 1 1 44 44 GLY CA C 44 46.503 46.503 45.324 1.179 19367 1991 1 5 . 1 1 44 44 GLY H H 44 8.812 8.812 8.025 0.787 19367 1992 1 5 . 1 1 45 45 ASP N N 45 117.822 117.822 119.449 -1.627 19367 1993 1 5 . 1 1 45 45 ASP HA H 45 4.875 4.875 4.768 0.107 19367 1994 1 5 . 1 1 45 45 ASP CA C 45 54.770 54.770 53.909 0.861 19367 1995 1 5 . 1 1 45 45 ASP CB C 45 42.593 42.593 42.084 0.509 19367 1996 1 5 . 1 1 45 45 ASP H H 45 7.764 7.764 7.939 -0.175 19367 1997 1 5 . 1 1 46 46 VAL N N 46 119.385 119.385 121.875 -2.490 19367 1998 1 5 . 1 1 46 46 VAL HA H 46 3.233 3.233 3.755 -0.522 19367 1999 1 5 . 1 1 46 46 VAL CA C 46 68.546 68.546 68.158 0.388 19367 2000 1 5 . 1 1 46 46 VAL CB C 46 29.851 29.851 29.010 0.841 19367 2001 1 5 . 1 1 46 46 VAL H H 46 7.148 7.148 7.518 -0.370 19367 2002 1 5 . 1 1 47 47 PRO HA H 47 4.113 4.113 4.301 -0.188 19367 2003 1 5 . 1 1 47 47 PRO CA C 47 66.527 66.527 65.807 0.720 19367 2004 1 5 . 1 1 47 47 PRO CB C 47 28.496 28.496 31.188 -2.692 19367 2005 1 5 . 1 1 48 48 ASP N N 48 116.654 116.654 118.561 -1.907 19367 2006 1 5 . 1 1 48 48 ASP HA H 48 4.384 4.384 4.535 -0.151 19367 2007 1 5 . 1 1 48 48 ASP CA C 48 57.268 57.268 56.466 0.802 19367 2008 1 5 . 1 1 48 48 ASP CB C 48 40.657 40.657 41.041 -0.384 19367 2009 1 5 . 1 1 48 48 ASP H H 48 7.473 7.473 7.574 -0.101 19367 2010 1 5 . 1 1 49 49 VAL N N 49 121.848 121.848 120.112 1.736 19367 2011 1 5 . 1 1 49 49 VAL HA H 49 3.364 3.364 3.641 -0.277 19367 2012 1 5 . 1 1 49 49 VAL CA C 49 66.354 66.354 65.713 0.641 19367 2013 1 5 . 1 1 49 49 VAL CB C 49 30.961 30.961 31.691 -0.730 19367 2014 1 5 . 1 1 49 49 VAL H H 49 7.600 7.600 7.570 0.030 19367 2015 1 5 . 1 1 50 50 VAL N N 50 119.961 119.961 120.170 -0.209 19367 2016 1 5 . 1 1 50 50 VAL HA H 50 3.176 3.176 3.531 -0.355 19367 2017 1 5 . 1 1 50 50 VAL CA C 50 67.270 67.270 66.852 0.418 19367 2018 1 5 . 1 1 50 50 VAL CB C 50 31.662 31.662 31.525 0.137 19367 2019 1 5 . 1 1 50 50 VAL H H 50 8.567 8.567 8.540 0.027 19367 2020 1 5 . 1 1 51 51 GLN N N 51 116.203 116.203 118.733 -2.530 19367 2021 1 5 . 1 1 51 51 GLN HA H 51 4.204 4.204 4.215 -0.011 19367 2022 1 5 . 1 1 51 51 GLN CA C 51 59.334 59.334 58.945 0.389 19367 2023 1 5 . 1 1 51 51 GLN CB C 51 28.717 28.717 28.622 0.094 19367 2024 1 5 . 1 1 51 51 GLN H H 51 7.802 7.802 7.752 0.050 19367 2025 1 5 . 1 1 52 52 GLU N N 52 119.616 119.616 119.833 -0.217 19367 2026 1 5 . 1 1 52 52 GLU HA H 52 4.085 4.085 4.214 -0.129 19367 2027 1 5 . 1 1 52 52 GLU CA C 52 59.267 59.267 58.416 0.851 19367 2028 1 5 . 1 1 52 52 GLU CB C 52 29.178 29.178 29.636 -0.458 19367 2029 1 5 . 1 1 52 52 GLU H H 52 7.880 7.880 7.693 0.187 19367 2030 1 5 . 1 1 53 53 ALA N N 53 120.964 120.964 122.116 -1.152 19367 2031 1 5 . 1 1 53 53 ALA HA H 53 3.713 3.713 4.104 -0.391 19367 2032 1 5 . 1 1 53 53 ALA CA C 53 55.176 55.176 54.429 0.747 19367 2033 1 5 . 1 1 53 53 ALA CB C 53 16.573 16.573 18.301 -1.728 19367 2034 1 5 . 1 1 53 53 ALA H H 53 8.381 8.381 7.503 0.878 19367 2035 1 5 . 1 1 54 54 PHE N N 54 113.370 113.370 117.364 -3.994 19367 2036 1 5 . 1 1 54 54 PHE HA H 54 4.329 4.329 4.578 -0.249 19367 2037 1 5 . 1 1 54 54 PHE CA C 54 63.496 63.496 61.168 2.328 19367 2038 1 5 . 1 1 54 54 PHE CB C 54 39.097 39.097 39.255 -0.158 19367 2039 1 5 . 1 1 54 54 PHE H H 54 7.942 7.942 7.847 0.095 19367 2040 1 5 . 1 1 55 55 ILE N N 55 121.983 121.983 120.159 1.824 19367 2041 1 5 . 1 1 55 55 ILE HA H 55 3.946 3.946 3.936 0.010 19367 2042 1 5 . 1 1 55 55 ILE CA C 55 64.969 64.969 63.388 1.581 19367 2043 1 5 . 1 1 55 55 ILE CB C 55 37.589 37.589 37.669 -0.080 19367 2044 1 5 . 1 1 55 55 ILE H H 55 8.373 8.373 7.788 0.585 19367 2045 1 5 . 1 1 56 56 LYS N N 56 120.661 120.661 120.786 -0.125 19367 2046 1 5 . 1 1 56 56 LYS HA H 56 3.860 3.860 4.135 -0.275 19367 2047 1 5 . 1 1 56 56 LYS CA C 56 59.835 59.835 58.559 1.276 19367 2048 1 5 . 1 1 56 56 LYS CB C 56 31.904 31.904 31.967 -0.063 19367 2049 1 5 . 1 1 56 56 LYS H H 56 8.318 8.318 7.988 0.330 19367 2050 1 5 . 1 1 57 57 ALA N N 57 119.884 119.884 121.824 -1.940 19367 2051 1 5 . 1 1 57 57 ALA HA H 57 3.784 3.784 4.244 -0.460 19367 2052 1 5 . 1 1 57 57 ALA CA C 57 54.552 54.552 54.683 -0.131 19367 2053 1 5 . 1 1 57 57 ALA CB C 57 18.251 18.251 18.515 -0.264 19367 2054 1 5 . 1 1 57 57 ALA H H 57 7.937 7.937 7.543 0.394 19367 2055 1 5 . 1 1 58 58 TYR N N 58 116.541 116.541 119.931 -3.390 19367 2056 1 5 . 1 1 58 58 TYR HA H 58 3.549 3.549 3.705 -0.156 19367 2057 1 5 . 1 1 58 58 TYR CA C 58 61.528 61.528 61.248 0.280 19367 2058 1 5 . 1 1 58 58 TYR CB C 58 37.885 37.885 38.460 -0.575 19367 2059 1 5 . 1 1 58 58 TYR H H 58 8.404 8.404 8.185 0.219 19367 2060 1 5 . 1 1 59 59 ARG N N 59 116.321 116.321 116.024 0.297 19367 2061 1 5 . 1 1 59 59 ARG HA H 59 3.791 3.791 4.190 -0.399 19367 2062 1 5 . 1 1 59 59 ARG CA C 59 58.500 58.500 56.840 1.660 19367 2063 1 5 . 1 1 59 59 ARG CB C 59 30.268 30.268 30.464 -0.196 19367 2064 1 5 . 1 1 59 59 ARG H H 59 8.404 8.404 7.760 0.644 19367 2065 1 5 . 1 1 60 60 ALA N N 60 118.867 118.867 121.460 -2.593 19367 2066 1 5 . 1 1 60 60 ALA HA H 60 4.879 4.879 4.597 0.282 19367 2067 1 5 . 1 1 60 60 ALA CA C 60 51.372 51.372 52.263 -0.891 19367 2068 1 5 . 1 1 60 60 ALA CB C 60 20.539 20.539 19.800 0.739 19367 2069 1 5 . 1 1 60 60 ALA H H 60 7.630 7.630 7.891 -0.261 19367 2070 1 5 . 1 1 61 61 LEU N N 61 124.902 124.902 120.642 4.260 19367 2071 1 5 . 1 1 61 61 LEU HA H 61 4.094 4.094 4.093 0.001 19367 2072 1 5 . 1 1 61 61 LEU CA C 61 58.442 58.442 57.190 1.252 19367 2073 1 5 . 1 1 61 61 LEU CB C 61 42.290 42.290 42.094 0.196 19367 2074 1 5 . 1 1 61 61 LEU H H 61 7.598 7.598 8.037 -0.439 19367 2075 1 5 . 1 1 62 62 ASP N N 62 117.094 117.094 117.581 -0.487 19367 2076 1 5 . 1 1 62 62 ASP HA H 62 4.345 4.345 4.443 -0.098 19367 2077 1 5 . 1 1 62 62 ASP CA C 62 56.690 56.690 55.773 0.917 19367 2078 1 5 . 1 1 62 62 ASP CB C 62 39.812 39.812 40.594 -0.782 19367 2079 1 5 . 1 1 62 62 ASP H H 62 8.686 8.686 8.806 -0.120 19367 2080 1 5 . 1 1 63 63 SER N N 63 112.854 112.854 112.860 -0.006 19367 2081 1 5 . 1 1 63 63 SER HA H 63 4.554 4.554 4.510 0.044 19367 2082 1 5 . 1 1 63 63 SER CA C 63 58.052 58.052 57.378 0.674 19367 2083 1 5 . 1 1 63 63 SER CB C 63 64.719 64.719 64.118 0.601 19367 2084 1 5 . 1 1 63 63 SER H H 63 7.969 7.969 7.404 0.565 19367 2085 1 5 . 1 1 64 64 PHE N N 64 125.623 125.623 124.451 1.172 19367 2086 1 5 . 1 1 64 64 PHE HA H 64 4.238 4.238 4.003 0.235 19367 2087 1 5 . 1 1 64 64 PHE CA C 64 56.826 56.826 58.737 -1.911 19367 2088 1 5 . 1 1 64 64 PHE CB C 64 38.210 38.210 39.276 -1.066 19367 2089 1 5 . 1 1 64 64 PHE H H 64 7.383 7.383 7.486 -0.103 19367 2090 1 5 . 1 1 65 65 ARG N N 65 133.273 133.273 124.547 8.726 19367 2091 1 5 . 1 1 65 65 ARG HA H 65 3.861 3.861 4.121 -0.260 19367 2092 1 5 . 1 1 65 65 ARG CA C 65 57.826 57.826 55.594 2.232 19367 2093 1 5 . 1 1 65 65 ARG CB C 65 31.054 31.054 30.241 0.813 19367 2094 1 5 . 1 1 65 65 ARG H H 65 10.968 10.968 7.909 3.059 19367 2095 1 5 . 1 1 66 66 GLY N N 66 103.283 103.283 107.685 -4.402 19367 2096 1 5 . 1 1 66 66 GLY CA C 66 46.309 46.309 45.610 0.699 19367 2097 1 5 . 1 1 66 66 GLY H H 66 5.673 5.673 6.520 -0.847 19367 2098 1 5 . 1 1 67 67 ASP N N 67 120.001 120.001 118.991 1.010 19367 2099 1 5 . 1 1 67 67 ASP HA H 67 4.551 4.551 4.559 -0.008 19367 2100 1 5 . 1 1 67 67 ASP CA C 67 55.488 55.488 55.476 0.012 19367 2101 1 5 . 1 1 67 67 ASP CB C 67 40.655 40.655 41.048 -0.393 19367 2102 1 5 . 1 1 67 67 ASP H H 67 7.960 7.960 8.266 -0.306 19367 2103 1 5 . 1 1 68 68 SER N N 68 110.787 110.787 111.955 -1.168 19367 2104 1 5 . 1 1 68 68 SER HA H 68 4.633 4.633 4.657 -0.024 19367 2105 1 5 . 1 1 68 68 SER CA C 68 56.762 56.762 57.174 -0.412 19367 2106 1 5 . 1 1 68 68 SER CB C 68 67.439 67.439 64.619 2.820 19367 2107 1 5 . 1 1 68 68 SER H H 68 7.692 7.692 7.358 0.334 19367 2108 1 5 . 1 1 69 69 ALA N N 69 122.464 122.464 123.843 -1.379 19367 2109 1 5 . 1 1 69 69 ALA HA H 69 4.692 4.692 4.437 0.255 19367 2110 1 5 . 1 1 69 69 ALA CA C 69 52.674 52.674 52.610 0.064 19367 2111 1 5 . 1 1 69 69 ALA CB C 69 18.751 18.751 19.666 -0.915 19367 2112 1 5 . 1 1 69 69 ALA H H 69 9.726 9.726 8.706 1.020 19367 2113 1 5 . 1 1 70 70 PHE N N 70 127.188 127.188 122.498 4.690 19367 2114 1 5 . 1 1 70 70 PHE HA H 70 4.085 4.085 4.219 -0.134 19367 2115 1 5 . 1 1 70 70 PHE CA C 70 62.108 62.108 61.318 0.791 19367 2116 1 5 . 1 1 70 70 PHE CB C 70 39.054 39.054 39.791 -0.737 19367 2117 1 5 . 1 1 70 70 PHE H H 70 9.774 9.774 8.646 1.128 19367 2118 1 5 . 1 1 71 71 TYR N N 71 117.533 117.533 118.280 -0.747 19367 2119 1 5 . 1 1 71 71 TYR HA H 71 3.449 3.449 3.874 -0.425 19367 2120 1 5 . 1 1 71 71 TYR CA C 71 61.684 61.684 60.899 0.785 19367 2121 1 5 . 1 1 71 71 TYR CB C 71 37.072 37.072 37.720 -0.648 19367 2122 1 5 . 1 1 71 71 TYR H H 71 9.720 9.720 8.812 0.908 19367 2123 1 5 . 1 1 72 72 THR N N 72 114.574 114.574 116.847 -2.273 19367 2124 1 5 . 1 1 72 72 THR HA H 72 5.436 5.436 3.923 1.513 19367 2125 1 5 . 1 1 72 72 THR CA C 72 63.426 63.426 67.356 -3.930 19367 2126 1 5 . 1 1 72 72 THR CB C 72 68.762 68.762 68.344 0.418 19367 2127 1 5 . 1 1 72 72 THR H H 72 6.675 6.675 7.823 -1.148 19367 2128 1 5 . 1 1 73 73 TRP N N 73 123.561 123.561 122.564 0.997 19367 2129 1 5 . 1 1 73 73 TRP HA H 73 3.956 3.956 4.567 -0.611 19367 2130 1 5 . 1 1 73 73 TRP CA C 73 62.112 62.112 60.158 1.954 19367 2131 1 5 . 1 1 73 73 TRP CB C 73 28.971 28.971 29.614 -0.643 19367 2132 1 5 . 1 1 73 73 TRP H H 73 6.924 6.924 7.339 -0.415 19367 2133 1 5 . 1 1 74 74 LEU N N 74 118.760 118.760 121.621 -2.861 19367 2134 1 5 . 1 1 74 74 LEU HA H 74 2.960 2.960 3.407 -0.447 19367 2135 1 5 . 1 1 74 74 LEU CA C 74 57.105 57.105 56.991 0.114 19367 2136 1 5 . 1 1 74 74 LEU CB C 74 41.503 41.503 41.436 0.067 19367 2137 1 5 . 1 1 74 74 LEU H H 74 7.903 7.903 7.778 0.125 19367 2138 1 5 . 1 1 75 75 TYR N N 75 119.616 119.616 118.724 0.892 19367 2139 1 5 . 1 1 75 75 TYR HA H 75 2.928 2.928 3.744 -0.816 19367 2140 1 5 . 1 1 75 75 TYR CA C 75 60.187 60.187 61.216 -1.029 19367 2141 1 5 . 1 1 75 75 TYR CB C 75 37.987 37.987 37.898 0.089 19367 2142 1 5 . 1 1 75 75 TYR H H 75 8.717 8.717 8.188 0.529 19367 2143 1 5 . 1 1 76 76 ARG N N 76 116.789 116.789 118.721 -1.932 19367 2144 1 5 . 1 1 76 76 ARG HA H 76 3.634 3.634 4.035 -0.401 19367 2145 1 5 . 1 1 76 76 ARG CA C 76 56.003 56.003 58.413 -2.410 19367 2146 1 5 . 1 1 76 76 ARG CB C 76 27.476 27.476 29.310 -1.834 19367 2147 1 5 . 1 1 76 76 ARG H H 76 6.809 6.809 7.451 -0.642 19367 2148 1 5 . 1 1 77 77 ILE N N 77 117.721 117.721 119.280 -1.559 19367 2149 1 5 . 1 1 77 77 ILE HA H 77 2.853 2.853 3.607 -0.754 19367 2150 1 5 . 1 1 77 77 ILE CA C 77 65.599 65.599 64.334 1.265 19367 2151 1 5 . 1 1 77 77 ILE CB C 77 36.937 36.937 37.479 -0.542 19367 2152 1 5 . 1 1 77 77 ILE H H 77 7.316 7.316 7.150 0.166 19367 2153 1 5 . 1 1 78 78 ALA N N 78 125.528 125.528 123.367 2.161 19367 2154 1 5 . 1 1 78 78 ALA HA H 78 3.369 3.369 3.846 -0.477 19367 2155 1 5 . 1 1 78 78 ALA CA C 78 55.876 55.876 54.885 0.991 19367 2156 1 5 . 1 1 78 78 ALA CB C 78 17.833 17.833 18.134 -0.301 19367 2157 1 5 . 1 1 78 78 ALA H H 78 8.788 8.788 8.029 0.759 19367 2158 1 5 . 1 1 79 79 VAL N N 79 117.392 117.392 117.860 -0.468 19367 2159 1 5 . 1 1 79 79 VAL HA H 79 2.819 2.819 3.482 -0.663 19367 2160 1 5 . 1 1 79 79 VAL CA C 79 67.174 67.174 65.031 2.143 19367 2161 1 5 . 1 1 79 79 VAL CB C 79 31.642 31.642 32.026 -0.384 19367 2162 1 5 . 1 1 79 79 VAL H H 79 8.046 8.046 7.705 0.341 19367 2163 1 5 . 1 1 80 80 ASN N N 80 117.152 117.152 117.342 -0.190 19367 2164 1 5 . 1 1 80 80 ASN HA H 80 4.368 4.368 4.512 -0.144 19367 2165 1 5 . 1 1 80 80 ASN CA C 80 55.630 55.630 55.500 0.130 19367 2166 1 5 . 1 1 80 80 ASN CB C 80 36.752 36.752 38.106 -1.354 19367 2167 1 5 . 1 1 80 80 ASN H H 80 8.146 8.146 7.635 0.511 19367 2168 1 5 . 1 1 81 81 THR N N 81 119.140 119.140 117.407 1.733 19367 2169 1 5 . 1 1 81 81 THR HA H 81 3.795 3.795 4.120 -0.325 19367 2170 1 5 . 1 1 81 81 THR CA C 81 67.441 67.441 66.097 1.344 19367 2171 1 5 . 1 1 81 81 THR CB C 81 68.102 68.102 68.937 -0.835 19367 2172 1 5 . 1 1 81 81 THR H H 81 8.320 8.320 7.945 0.375 19367 2173 1 5 . 1 1 82 82 ALA N N 82 124.957 124.957 123.392 1.565 19367 2174 1 5 . 1 1 82 82 ALA HA H 82 3.789 3.789 4.061 -0.272 19367 2175 1 5 . 1 1 82 82 ALA CA C 82 55.415 55.415 54.787 0.628 19367 2176 1 5 . 1 1 82 82 ALA CB C 82 18.020 18.020 18.359 -0.339 19367 2177 1 5 . 1 1 82 82 ALA H H 82 8.037 8.037 7.812 0.225 19367 2178 1 5 . 1 1 83 83 LYS N N 83 116.190 116.190 117.265 -1.075 19367 2179 1 5 . 1 1 83 83 LYS HA H 83 3.815 3.815 4.018 -0.203 19367 2180 1 5 . 1 1 83 83 LYS CA C 83 60.160 60.160 59.017 1.143 19367 2181 1 5 . 1 1 83 83 LYS CB C 83 32.312 32.312 32.449 -0.137 19367 2182 1 5 . 1 1 83 83 LYS H H 83 8.314 8.314 7.792 0.522 19367 2183 1 5 . 1 1 84 84 ASN N N 84 117.083 117.083 117.481 -0.398 19367 2184 1 5 . 1 1 84 84 ASN HA H 84 4.486 4.486 4.512 -0.026 19367 2185 1 5 . 1 1 84 84 ASN CA C 84 55.213 55.213 54.731 0.482 19367 2186 1 5 . 1 1 84 84 ASN CB C 84 38.461 38.461 38.498 -0.037 19367 2187 1 5 . 1 1 84 84 ASN H H 84 8.004 8.004 7.669 0.335 19367 2188 1 5 . 1 1 85 85 TYR N N 85 122.935 122.935 121.164 1.771 19367 2189 1 5 . 1 1 85 85 TYR HA H 85 4.147 4.147 4.215 -0.068 19367 2190 1 5 . 1 1 85 85 TYR CA C 85 61.408 61.408 61.358 0.050 19367 2191 1 5 . 1 1 85 85 TYR CB C 85 38.428 38.428 38.622 -0.194 19367 2192 1 5 . 1 1 85 85 TYR H H 85 7.935 7.935 7.564 0.371 19367 2193 1 5 . 1 1 86 86 LEU N N 86 119.119 119.119 117.529 1.590 19367 2194 1 5 . 1 1 86 86 LEU HA H 86 3.998 3.998 3.996 0.002 19367 2195 1 5 . 1 1 86 86 LEU CA C 86 57.647 57.647 57.359 0.287 19367 2196 1 5 . 1 1 86 86 LEU CB C 86 41.906 41.906 41.923 -0.017 19367 2197 1 5 . 1 1 86 86 LEU H H 86 7.810 7.810 7.448 0.362 19367 2198 1 5 . 1 1 87 87 VAL N N 87 118.991 118.991 114.816 4.175 19367 2199 1 5 . 1 1 87 87 VAL HA H 87 3.806 3.806 3.833 -0.027 19367 2200 1 5 . 1 1 87 87 VAL CA C 87 64.989 64.989 64.720 0.269 19367 2201 1 5 . 1 1 87 87 VAL CB C 87 32.126 32.126 30.672 1.454 19367 2202 1 5 . 1 1 87 87 VAL H H 87 7.701 7.701 7.360 0.341 19367 2203 1 5 . 1 1 88 88 ALA N N 88 123.643 123.643 121.667 1.976 19367 2204 1 5 . 1 1 88 88 ALA HA H 88 4.088 4.088 3.978 0.110 19367 2205 1 5 . 1 1 88 88 ALA CA C 88 54.188 54.188 54.791 -0.603 19367 2206 1 5 . 1 1 88 88 ALA CB C 88 18.460 18.460 18.354 0.106 19367 2207 1 5 . 1 1 88 88 ALA H H 88 7.978 7.978 7.471 0.507 19367 2208 1 5 . 1 1 89 89 GLN N N 89 116.659 116.659 116.992 -0.333 19367 2209 1 5 . 1 1 89 89 GLN HA H 89 4.024 4.024 4.053 -0.029 19367 2210 1 5 . 1 1 89 89 GLN CA C 89 56.818 56.818 57.562 -0.744 19367 2211 1 5 . 1 1 89 89 GLN CB C 89 28.776 28.776 28.542 0.234 19367 2212 1 5 . 1 1 89 89 GLN H H 89 7.974 7.974 7.426 0.548 19367 2213 1 5 . 1 1 90 90 GLY N N 90 107.464 107.464 105.738 1.726 19367 2214 1 5 . 1 1 90 90 GLY CA C 90 45.782 45.782 45.380 0.402 19367 2215 1 5 . 1 1 90 90 GLY H H 90 7.967 7.967 7.585 0.382 19367 2216 1 5 . 1 1 91 91 ARG N N 91 119.736 119.736 120.249 -0.513 19367 2217 1 5 . 1 1 91 91 ARG HA H 91 4.299 4.299 4.542 -0.243 19367 2218 1 5 . 1 1 91 91 ARG CA C 91 56.216 56.216 56.729 -0.513 19367 2219 1 5 . 1 1 91 91 ARG CB C 91 30.805 30.805 30.301 0.504 19367 2220 1 5 . 1 1 91 91 ARG H H 91 7.824 7.824 7.980 -0.156 19367 2221 1 5 . 1 1 92 92 ARG N N 92 120.592 120.592 121.552 -0.960 19367 2222 1 5 . 1 1 92 92 ARG HA H 92 4.270 4.270 4.127 0.143 19367 2223 1 5 . 1 1 92 92 ARG CA C 92 56.451 56.451 58.911 -2.460 19367 2224 1 5 . 1 1 92 92 ARG CB C 92 30.658 30.658 30.140 0.518 19367 2225 1 5 . 1 1 92 92 ARG H H 92 8.038 8.038 7.668 0.370 19367 2226 1 5 . 1 1 93 93 LEU N N 93 122.274 122.274 119.044 3.230 19367 2227 1 5 . 1 1 93 93 LEU HA H 93 4.258 4.258 4.351 -0.093 19367 2228 1 5 . 1 1 93 93 LEU CA C 93 55.463 55.463 56.194 -0.731 19367 2229 1 5 . 1 1 93 93 LEU CB C 93 42.203 42.203 40.768 1.435 19367 2230 1 5 . 1 1 93 93 LEU H H 93 8.147 8.147 7.718 0.429 19367 2231 1 5 . 1 1 94 94 GLU N N 94 120.794 120.794 118.291 2.503 19367 2232 1 5 . 1 1 94 94 GLU HA H 94 4.249 4.249 4.377 -0.128 19367 2233 1 5 . 1 1 94 94 GLU CA C 94 56.557 56.557 56.384 0.173 19367 2234 1 5 . 1 1 94 94 GLU CB C 94 30.103 30.103 30.779 -0.676 19367 2235 1 5 . 1 1 94 94 GLU H H 94 8.241 8.241 7.721 0.520 19367 2236 1 5 . 1 1 95 95 LEU N N 95 122.290 122.290 120.317 1.973 19367 2237 1 5 . 1 1 95 95 LEU HA H 95 4.312 4.312 4.408 -0.096 19367 2238 1 5 . 1 1 95 95 LEU CA C 95 55.080 55.080 55.574 -0.494 19367 2239 1 5 . 1 1 95 95 LEU CB C 95 42.130 42.130 43.494 -1.364 19367 2240 1 5 . 1 1 95 95 LEU H H 95 8.068 8.068 7.591 0.477 19367 2241 1 6 . 1 1 4 4 GLN N N 4 121.848 121.848 120.646 1.202 19367 2242 1 6 . 1 1 4 4 GLN HA H 4 4.307 4.307 4.513 -0.206 19367 2243 1 6 . 1 1 4 4 GLN CA C 4 55.724 55.724 55.588 0.136 19367 2244 1 6 . 1 1 4 4 GLN CB C 4 29.297 29.297 29.687 -0.390 19367 2245 1 6 . 1 1 4 4 GLN H H 4 8.500 8.500 8.510 -0.010 19367 2246 1 6 . 1 1 5 5 LEU N N 5 124.347 124.347 120.506 3.841 19367 2247 1 6 . 1 1 5 5 LEU HA H 5 4.548 4.548 4.583 -0.035 19367 2248 1 6 . 1 1 5 5 LEU CA C 5 53.785 53.785 54.087 -0.302 19367 2249 1 6 . 1 1 5 5 LEU CB C 5 41.886 41.886 41.584 0.302 19367 2250 1 6 . 1 1 5 5 LEU H H 5 8.565 8.565 7.775 0.790 19367 2251 1 6 . 1 1 6 6 THR N N 6 114.442 114.442 108.965 5.477 19367 2252 1 6 . 1 1 6 6 THR HA H 6 4.353 4.353 4.198 0.155 19367 2253 1 6 . 1 1 6 6 THR CA C 6 61.195 61.195 61.090 0.105 19367 2254 1 6 . 1 1 6 6 THR CB C 6 70.541 70.541 69.992 0.549 19367 2255 1 6 . 1 1 6 6 THR H H 6 7.950 7.950 7.843 0.107 19367 2256 1 6 . 1 1 7 7 ASP N N 7 120.959 120.959 118.858 2.101 19367 2257 1 6 . 1 1 7 7 ASP HA H 7 4.197 4.197 4.361 -0.164 19367 2258 1 6 . 1 1 7 7 ASP CA C 7 57.820 57.820 57.718 0.102 19367 2259 1 6 . 1 1 7 7 ASP CB C 7 39.621 39.621 40.514 -0.893 19367 2260 1 6 . 1 1 7 7 ASP H H 7 9.008 9.008 8.975 0.033 19367 2261 1 6 . 1 1 8 8 GLN N N 8 116.649 116.649 119.545 -2.896 19367 2262 1 6 . 1 1 8 8 GLN HA H 8 4.012 4.012 4.195 -0.183 19367 2263 1 6 . 1 1 8 8 GLN CA C 8 59.746 59.746 58.673 1.073 19367 2264 1 6 . 1 1 8 8 GLN CB C 8 28.188 28.188 28.998 -0.810 19367 2265 1 6 . 1 1 8 8 GLN H H 8 8.561 8.561 7.520 1.041 19367 2266 1 6 . 1 1 9 9 VAL N N 9 120.579 120.579 120.166 0.413 19367 2267 1 6 . 1 1 9 9 VAL HA H 9 3.760 3.760 4.174 -0.414 19367 2268 1 6 . 1 1 9 9 VAL CA C 9 66.108 66.108 63.794 2.314 19367 2269 1 6 . 1 1 9 9 VAL CB C 9 31.558 31.558 31.378 0.180 19367 2270 1 6 . 1 1 9 9 VAL H H 9 7.450 7.450 7.749 -0.299 19367 2271 1 6 . 1 1 10 10 LEU N N 10 119.806 119.806 121.638 -1.832 19367 2272 1 6 . 1 1 10 10 LEU HA H 10 3.917 3.917 4.141 -0.224 19367 2273 1 6 . 1 1 10 10 LEU CA C 10 58.415 58.415 57.742 0.673 19367 2274 1 6 . 1 1 10 10 LEU CB C 10 41.299 41.299 41.656 -0.357 19367 2275 1 6 . 1 1 10 10 LEU H H 10 7.865 7.865 7.485 0.380 19367 2276 1 6 . 1 1 11 11 VAL N N 11 119.041 119.041 118.703 0.338 19367 2277 1 6 . 1 1 11 11 VAL HA H 11 3.280 3.280 3.512 -0.232 19367 2278 1 6 . 1 1 11 11 VAL CA C 11 67.631 67.631 66.534 1.097 19367 2279 1 6 . 1 1 11 11 VAL CB C 11 31.723 31.723 31.381 0.342 19367 2280 1 6 . 1 1 11 11 VAL H H 11 8.734 8.734 7.565 1.169 19367 2281 1 6 . 1 1 12 12 GLU N N 12 119.018 119.018 119.414 -0.396 19367 2282 1 6 . 1 1 12 12 GLU HA H 12 4.110 4.110 4.027 0.083 19367 2283 1 6 . 1 1 12 12 GLU CA C 12 59.514 59.514 58.930 0.584 19367 2284 1 6 . 1 1 12 12 GLU CB C 12 28.603 28.603 29.263 -0.660 19367 2285 1 6 . 1 1 12 12 GLU H H 12 7.802 7.802 7.525 0.277 19367 2286 1 6 . 1 1 13 13 ARG N N 13 117.242 117.242 119.870 -2.628 19367 2287 1 6 . 1 1 13 13 ARG HA H 13 4.011 4.011 4.130 -0.119 19367 2288 1 6 . 1 1 13 13 ARG CA C 13 60.016 60.016 59.074 0.942 19367 2289 1 6 . 1 1 13 13 ARG CB C 13 27.737 27.737 30.204 -2.467 19367 2290 1 6 . 1 1 13 13 ARG H H 13 8.107 8.107 7.762 0.345 19367 2291 1 6 . 1 1 14 14 VAL N N 14 121.430 121.430 119.278 2.152 19367 2292 1 6 . 1 1 14 14 VAL HA H 14 3.767 3.767 4.117 -0.350 19367 2293 1 6 . 1 1 14 14 VAL CA C 14 66.462 66.462 65.588 0.874 19367 2294 1 6 . 1 1 14 14 VAL CB C 14 31.616 31.616 31.927 -0.311 19367 2295 1 6 . 1 1 14 14 VAL H H 14 8.435 8.435 7.508 0.927 19367 2296 1 6 . 1 1 15 15 GLN N N 15 120.667 120.667 119.010 1.657 19367 2297 1 6 . 1 1 15 15 GLN HA H 15 4.088 4.088 4.087 0.001 19367 2298 1 6 . 1 1 15 15 GLN CA C 15 58.628 58.628 58.136 0.491 19367 2299 1 6 . 1 1 15 15 GLN CB C 15 27.995 27.995 28.428 -0.433 19367 2300 1 6 . 1 1 15 15 GLN H H 15 8.670 8.670 7.686 0.984 19367 2301 1 6 . 1 1 16 16 LYS N N 16 116.797 116.797 117.243 -0.446 19367 2302 1 6 . 1 1 16 16 LYS HA H 16 4.374 4.374 4.294 0.080 19367 2303 1 6 . 1 1 16 16 LYS CA C 16 56.278 56.278 56.019 0.259 19367 2304 1 6 . 1 1 16 16 LYS CB C 16 32.299 32.299 32.529 -0.230 19367 2305 1 6 . 1 1 16 16 LYS H H 16 7.700 7.700 7.535 0.165 19367 2306 1 6 . 1 1 17 17 GLY N N 17 107.001 107.001 107.947 -0.946 19367 2307 1 6 . 1 1 17 17 GLY CA C 17 45.608 45.608 45.088 0.520 19367 2308 1 6 . 1 1 17 17 GLY H H 17 7.927 7.927 7.749 0.178 19367 2309 1 6 . 1 1 18 18 ASP N N 18 121.666 121.666 121.633 0.033 19367 2310 1 6 . 1 1 18 18 ASP HA H 18 4.769 4.769 4.680 0.089 19367 2311 1 6 . 1 1 18 18 ASP CA C 18 52.999 52.999 53.995 -0.996 19367 2312 1 6 . 1 1 18 18 ASP CB C 18 40.814 40.814 41.550 -0.737 19367 2313 1 6 . 1 1 18 18 ASP H H 18 8.255 8.255 7.589 0.666 19367 2314 1 6 . 1 1 19 19 GLN N N 19 124.874 124.874 126.131 -1.257 19367 2315 1 6 . 1 1 19 19 GLN HA H 19 4.150 4.150 4.335 -0.185 19367 2316 1 6 . 1 1 19 19 GLN CA C 19 58.922 58.922 58.003 0.919 19367 2317 1 6 . 1 1 19 19 GLN CB C 19 28.759 28.759 28.974 -0.215 19367 2318 1 6 . 1 1 19 19 GLN H H 19 8.392 8.392 8.789 -0.397 19367 2319 1 6 . 1 1 20 20 LYS N N 20 119.006 119.006 119.313 -0.307 19367 2320 1 6 . 1 1 20 20 LYS HA H 20 4.118 4.118 4.216 -0.098 19367 2321 1 6 . 1 1 20 20 LYS CA C 20 58.642 58.642 57.958 0.684 19367 2322 1 6 . 1 1 20 20 LYS CB C 20 31.678 31.678 32.234 -0.556 19367 2323 1 6 . 1 1 20 20 LYS H H 20 8.348 8.348 8.409 -0.061 19367 2324 1 6 . 1 1 21 21 ALA N N 21 121.687 121.687 121.935 -0.248 19367 2325 1 6 . 1 1 21 21 ALA HA H 21 4.010 4.010 4.182 -0.172 19367 2326 1 6 . 1 1 21 21 ALA CA C 21 54.485 54.485 54.780 -0.295 19367 2327 1 6 . 1 1 21 21 ALA CB C 21 18.634 18.634 18.209 0.425 19367 2328 1 6 . 1 1 21 21 ALA H H 21 7.500 7.500 8.289 -0.789 19367 2329 1 6 . 1 1 22 22 PHE N N 22 117.219 117.219 118.736 -1.517 19367 2330 1 6 . 1 1 22 22 PHE HA H 22 3.994 3.994 4.252 -0.258 19367 2331 1 6 . 1 1 22 22 PHE CA C 22 61.907 61.907 60.684 1.223 19367 2332 1 6 . 1 1 22 22 PHE CB C 22 38.571 38.571 39.602 -1.032 19367 2333 1 6 . 1 1 22 22 PHE H H 22 7.810 7.810 7.810 -0.000 19367 2334 1 6 . 1 1 23 23 ASN N N 23 115.600 115.600 119.002 -3.402 19367 2335 1 6 . 1 1 23 23 ASN HA H 23 4.163 4.163 4.300 -0.137 19367 2336 1 6 . 1 1 23 23 ASN CA C 23 56.264 56.264 56.461 -0.196 19367 2337 1 6 . 1 1 23 23 ASN CB C 23 38.131 38.131 38.429 -0.298 19367 2338 1 6 . 1 1 23 23 ASN H H 23 7.711 7.711 7.683 0.028 19367 2339 1 6 . 1 1 24 24 LEU N N 24 117.605 117.605 119.508 -1.903 19367 2340 1 6 . 1 1 24 24 LEU HA H 24 3.999 3.999 4.092 -0.093 19367 2341 1 6 . 1 1 24 24 LEU CA C 24 57.811 57.811 57.355 0.456 19367 2342 1 6 . 1 1 24 24 LEU CB C 24 41.367 41.367 41.023 0.344 19367 2343 1 6 . 1 1 24 24 LEU H H 24 7.344 7.344 7.614 -0.270 19367 2344 1 6 . 1 1 25 25 LEU N N 25 120.426 120.426 120.766 -0.340 19367 2345 1 6 . 1 1 25 25 LEU HA H 25 3.938 3.938 4.107 -0.169 19367 2346 1 6 . 1 1 25 25 LEU CA C 25 57.863 57.863 57.127 0.736 19367 2347 1 6 . 1 1 25 25 LEU CB C 25 41.479 41.479 41.583 -0.104 19367 2348 1 6 . 1 1 25 25 LEU H H 25 7.036 7.036 7.241 -0.205 19367 2349 1 6 . 1 1 26 26 VAL N N 26 119.676 119.676 119.161 0.515 19367 2350 1 6 . 1 1 26 26 VAL HA H 26 2.857 2.857 2.710 0.147 19367 2351 1 6 . 1 1 26 26 VAL CA C 26 65.821 65.821 66.381 -0.560 19367 2352 1 6 . 1 1 26 26 VAL CB C 26 30.816 30.816 30.929 -0.113 19367 2353 1 6 . 1 1 26 26 VAL H H 26 7.369 7.369 7.612 -0.243 19367 2354 1 6 . 1 1 27 27 VAL N N 27 117.098 117.098 118.226 -1.128 19367 2355 1 6 . 1 1 27 27 VAL HA H 27 3.542 3.542 3.565 -0.023 19367 2356 1 6 . 1 1 27 27 VAL CA C 27 65.837 65.837 65.554 0.283 19367 2357 1 6 . 1 1 27 27 VAL CB C 27 31.728 31.728 31.294 0.434 19367 2358 1 6 . 1 1 27 27 VAL H H 27 7.816 7.816 7.407 0.409 19367 2359 1 6 . 1 1 28 28 ARG N N 28 118.592 118.592 118.688 -0.096 19367 2360 1 6 . 1 1 28 28 ARG HA H 28 3.838 3.838 4.014 -0.176 19367 2361 1 6 . 1 1 28 28 ARG CA C 28 59.356 59.356 58.541 0.815 19367 2362 1 6 . 1 1 28 28 ARG CB C 28 31.069 31.069 30.236 0.833 19367 2363 1 6 . 1 1 28 28 ARG H H 28 7.491 7.491 7.329 0.162 19367 2364 1 6 . 1 1 29 29 TYR N N 29 112.635 112.635 115.758 -3.123 19367 2365 1 6 . 1 1 29 29 TYR HA H 29 4.945 4.945 4.854 0.091 19367 2366 1 6 . 1 1 29 29 TYR CA C 29 60.438 60.438 58.262 2.176 19367 2367 1 6 . 1 1 29 29 TYR CB C 29 40.619 40.619 38.946 1.673 19367 2368 1 6 . 1 1 29 29 TYR H H 29 7.675 7.675 7.292 0.383 19367 2369 1 6 . 1 1 30 30 GLN N N 30 123.043 123.043 121.255 1.788 19367 2370 1 6 . 1 1 30 30 GLN HA H 30 4.119 4.119 4.265 -0.146 19367 2371 1 6 . 1 1 30 30 GLN CA C 30 61.409 61.409 59.597 1.812 19367 2372 1 6 . 1 1 30 30 GLN CB C 30 26.933 26.933 27.828 -0.894 19367 2373 1 6 . 1 1 30 30 GLN H H 30 9.056 9.056 8.087 0.969 19367 2374 1 6 . 1 1 31 31 HIS N N 31 118.704 118.704 117.244 1.460 19367 2375 1 6 . 1 1 31 31 HIS HA H 31 4.435 4.435 4.492 -0.057 19367 2376 1 6 . 1 1 31 31 HIS CA C 31 59.580 59.580 59.355 0.225 19367 2377 1 6 . 1 1 31 31 HIS CB C 31 29.396 29.396 29.907 -0.511 19367 2378 1 6 . 1 1 31 31 HIS H H 31 8.616 8.616 8.344 0.272 19367 2379 1 6 . 1 1 32 32 LYS N N 32 122.594 122.594 121.133 1.461 19367 2380 1 6 . 1 1 32 32 LYS HA H 32 4.029 4.029 4.224 -0.195 19367 2381 1 6 . 1 1 32 32 LYS CA C 32 59.869 59.869 59.510 0.359 19367 2382 1 6 . 1 1 32 32 LYS CB C 32 32.580 32.580 32.520 0.061 19367 2383 1 6 . 1 1 32 32 LYS H H 32 7.848 7.848 7.594 0.254 19367 2384 1 6 . 1 1 33 33 VAL N N 33 119.621 119.621 119.530 0.091 19367 2385 1 6 . 1 1 33 33 VAL HA H 33 3.480 3.480 3.673 -0.193 19367 2386 1 6 . 1 1 33 33 VAL CA C 33 66.671 66.671 64.650 2.022 19367 2387 1 6 . 1 1 33 33 VAL CB C 33 31.142 31.142 31.584 -0.442 19367 2388 1 6 . 1 1 33 33 VAL H H 33 8.653 8.653 8.403 0.250 19367 2389 1 6 . 1 1 34 34 ALA N N 34 122.622 122.622 120.799 1.823 19367 2390 1 6 . 1 1 34 34 ALA HA H 34 3.736 3.736 4.083 -0.347 19367 2391 1 6 . 1 1 34 34 ALA CA C 34 55.762 55.762 54.950 0.812 19367 2392 1 6 . 1 1 34 34 ALA CB C 34 17.681 17.681 18.178 -0.497 19367 2393 1 6 . 1 1 34 34 ALA H H 34 8.498 8.498 7.715 0.783 19367 2394 1 6 . 1 1 35 35 SER N N 35 113.674 113.674 112.720 0.954 19367 2395 1 6 . 1 1 35 35 SER HA H 35 4.040 4.040 4.336 -0.296 19367 2396 1 6 . 1 1 35 35 SER CA C 35 61.765 61.765 60.939 0.826 19367 2397 1 6 . 1 1 35 35 SER CB C 35 62.766 62.766 63.375 -0.609 19367 2398 1 6 . 1 1 35 35 SER H H 35 7.897 7.897 7.698 0.199 19367 2399 1 6 . 1 1 36 36 LEU N N 36 123.203 123.203 121.845 1.358 19367 2400 1 6 . 1 1 36 36 LEU HA H 36 3.992 3.992 4.297 -0.305 19367 2401 1 6 . 1 1 36 36 LEU CA C 36 57.863 57.863 57.184 0.679 19367 2402 1 6 . 1 1 36 36 LEU CB C 36 42.718 42.718 42.146 0.572 19367 2403 1 6 . 1 1 36 36 LEU H H 36 7.494 7.494 7.152 0.342 19367 2404 1 6 . 1 1 37 37 VAL N N 37 114.122 114.122 115.265 -1.143 19367 2405 1 6 . 1 1 37 37 VAL HA H 37 3.627 3.627 4.103 -0.476 19367 2406 1 6 . 1 1 37 37 VAL CA C 37 65.879 65.879 64.970 0.909 19367 2407 1 6 . 1 1 37 37 VAL CB C 37 31.214 31.214 31.379 -0.165 19367 2408 1 6 . 1 1 37 37 VAL H H 37 8.530 8.530 8.164 0.366 19367 2409 1 6 . 1 1 38 38 SER N N 38 116.259 116.259 114.654 1.605 19367 2410 1 6 . 1 1 38 38 SER HA H 38 4.276 4.276 4.354 -0.078 19367 2411 1 6 . 1 1 38 38 SER CA C 38 60.898 60.898 60.293 0.605 19367 2412 1 6 . 1 1 38 38 SER CB C 38 63.143 63.143 63.076 0.067 19367 2413 1 6 . 1 1 38 38 SER H H 38 8.136 8.136 7.712 0.424 19367 2414 1 6 . 1 1 39 39 ARG N N 39 119.029 119.029 119.292 -0.263 19367 2415 1 6 . 1 1 39 39 ARG HA H 39 3.995 3.995 3.993 0.002 19367 2416 1 6 . 1 1 39 39 ARG CA C 39 57.640 57.640 57.571 0.069 19367 2417 1 6 . 1 1 39 39 ARG CB C 39 29.719 29.719 30.096 -0.377 19367 2418 1 6 . 1 1 39 39 ARG H H 39 7.310 7.310 7.315 -0.005 19367 2419 1 6 . 1 1 40 40 TYR N N 40 114.123 114.123 115.459 -1.336 19367 2420 1 6 . 1 1 40 40 TYR HA H 40 4.472 4.472 4.667 -0.195 19367 2421 1 6 . 1 1 40 40 TYR CA C 40 59.298 59.298 57.997 1.301 19367 2422 1 6 . 1 1 40 40 TYR CB C 40 42.809 42.809 41.127 1.682 19367 2423 1 6 . 1 1 40 40 TYR H H 40 7.786 7.786 7.802 -0.016 19367 2424 1 6 . 1 1 41 41 VAL N N 41 112.721 112.721 114.193 -1.472 19367 2425 1 6 . 1 1 41 41 VAL HA H 41 4.853 4.853 4.701 0.152 19367 2426 1 6 . 1 1 41 41 VAL CA C 41 57.942 57.942 58.204 -0.262 19367 2427 1 6 . 1 1 41 41 VAL CB C 41 33.171 33.171 33.368 -0.197 19367 2428 1 6 . 1 1 41 41 VAL H H 41 7.388 7.388 7.854 -0.466 19367 2429 1 6 . 1 1 42 42 PRO HA H 42 4.415 4.415 4.767 -0.352 19367 2430 1 6 . 1 1 42 42 PRO CA C 42 62.645 62.645 62.623 0.021 19367 2431 1 6 . 1 1 42 42 PRO CB C 42 32.603 32.603 32.764 -0.161 19367 2432 1 6 . 1 1 43 43 SER N N 43 116.784 116.784 115.485 1.299 19367 2433 1 6 . 1 1 43 43 SER HA H 43 4.009 4.009 4.187 -0.178 19367 2434 1 6 . 1 1 43 43 SER CA C 43 62.098 62.098 60.178 1.920 19367 2435 1 6 . 1 1 43 43 SER CB C 43 62.862 62.862 62.673 0.189 19367 2436 1 6 . 1 1 43 43 SER H H 43 8.602 8.602 8.456 0.146 19367 2437 1 6 . 1 1 44 44 GLY N N 44 107.756 107.756 109.044 -1.288 19367 2438 1 6 . 1 1 44 44 GLY CA C 44 46.503 46.503 45.685 0.818 19367 2439 1 6 . 1 1 44 44 GLY H H 44 8.812 8.812 8.213 0.599 19367 2440 1 6 . 1 1 45 45 ASP N N 45 117.822 117.822 119.790 -1.968 19367 2441 1 6 . 1 1 45 45 ASP HA H 45 4.875 4.875 4.842 0.033 19367 2442 1 6 . 1 1 45 45 ASP CA C 45 54.770 54.770 54.038 0.732 19367 2443 1 6 . 1 1 45 45 ASP CB C 45 42.593 42.593 42.108 0.485 19367 2444 1 6 . 1 1 45 45 ASP H H 45 7.764 7.764 8.002 -0.238 19367 2445 1 6 . 1 1 46 46 VAL N N 46 119.385 119.385 121.893 -2.508 19367 2446 1 6 . 1 1 46 46 VAL HA H 46 3.233 3.233 3.763 -0.530 19367 2447 1 6 . 1 1 46 46 VAL CA C 46 68.546 68.546 68.097 0.448 19367 2448 1 6 . 1 1 46 46 VAL CB C 46 29.851 29.851 29.048 0.803 19367 2449 1 6 . 1 1 46 46 VAL H H 46 7.148 7.148 7.483 -0.335 19367 2450 1 6 . 1 1 47 47 PRO HA H 47 4.113 4.113 4.267 -0.154 19367 2451 1 6 . 1 1 47 47 PRO CA C 47 66.527 66.527 65.792 0.735 19367 2452 1 6 . 1 1 47 47 PRO CB C 47 28.496 28.496 31.199 -2.703 19367 2453 1 6 . 1 1 48 48 ASP N N 48 116.654 116.654 118.722 -2.068 19367 2454 1 6 . 1 1 48 48 ASP HA H 48 4.384 4.384 4.493 -0.109 19367 2455 1 6 . 1 1 48 48 ASP CA C 48 57.268 57.268 56.726 0.542 19367 2456 1 6 . 1 1 48 48 ASP CB C 48 40.657 40.657 40.928 -0.271 19367 2457 1 6 . 1 1 48 48 ASP H H 48 7.473 7.473 7.431 0.042 19367 2458 1 6 . 1 1 49 49 VAL N N 49 121.848 121.848 119.847 2.001 19367 2459 1 6 . 1 1 49 49 VAL HA H 49 3.364 3.364 3.677 -0.313 19367 2460 1 6 . 1 1 49 49 VAL CA C 49 66.354 66.354 65.833 0.521 19367 2461 1 6 . 1 1 49 49 VAL CB C 49 30.961 30.961 31.680 -0.719 19367 2462 1 6 . 1 1 49 49 VAL H H 49 7.600 7.600 7.609 -0.009 19367 2463 1 6 . 1 1 50 50 VAL N N 50 119.961 119.961 120.278 -0.317 19367 2464 1 6 . 1 1 50 50 VAL HA H 50 3.176 3.176 3.530 -0.354 19367 2465 1 6 . 1 1 50 50 VAL CA C 50 67.270 67.270 66.607 0.663 19367 2466 1 6 . 1 1 50 50 VAL CB C 50 31.662 31.662 31.538 0.124 19367 2467 1 6 . 1 1 50 50 VAL H H 50 8.567 8.567 8.372 0.195 19367 2468 1 6 . 1 1 51 51 GLN N N 51 116.203 116.203 118.324 -2.121 19367 2469 1 6 . 1 1 51 51 GLN HA H 51 4.204 4.204 4.172 0.032 19367 2470 1 6 . 1 1 51 51 GLN CA C 51 59.334 59.334 58.846 0.488 19367 2471 1 6 . 1 1 51 51 GLN CB C 51 28.717 28.717 28.545 0.172 19367 2472 1 6 . 1 1 51 51 GLN H H 51 7.802 7.802 7.593 0.209 19367 2473 1 6 . 1 1 52 52 GLU N N 52 119.616 119.616 120.348 -0.732 19367 2474 1 6 . 1 1 52 52 GLU HA H 52 4.085 4.085 4.207 -0.122 19367 2475 1 6 . 1 1 52 52 GLU CA C 52 59.267 59.267 58.283 0.984 19367 2476 1 6 . 1 1 52 52 GLU CB C 52 29.178 29.178 29.343 -0.165 19367 2477 1 6 . 1 1 52 52 GLU H H 52 7.880 7.880 7.653 0.227 19367 2478 1 6 . 1 1 53 53 ALA N N 53 120.964 120.964 122.392 -1.428 19367 2479 1 6 . 1 1 53 53 ALA HA H 53 3.713 3.713 4.086 -0.373 19367 2480 1 6 . 1 1 53 53 ALA CA C 53 55.176 55.176 54.532 0.644 19367 2481 1 6 . 1 1 53 53 ALA CB C 53 16.573 16.573 18.163 -1.591 19367 2482 1 6 . 1 1 53 53 ALA H H 53 8.381 8.381 7.509 0.872 19367 2483 1 6 . 1 1 54 54 PHE N N 54 113.370 113.370 116.520 -3.150 19367 2484 1 6 . 1 1 54 54 PHE HA H 54 4.329 4.329 4.602 -0.273 19367 2485 1 6 . 1 1 54 54 PHE CA C 54 63.496 63.496 60.853 2.643 19367 2486 1 6 . 1 1 54 54 PHE CB C 54 39.097 39.097 39.263 -0.166 19367 2487 1 6 . 1 1 54 54 PHE H H 54 7.942 7.942 7.712 0.230 19367 2488 1 6 . 1 1 55 55 ILE N N 55 121.983 121.983 120.407 1.576 19367 2489 1 6 . 1 1 55 55 ILE HA H 55 3.946 3.946 3.938 0.008 19367 2490 1 6 . 1 1 55 55 ILE CA C 55 64.969 64.969 62.884 2.085 19367 2491 1 6 . 1 1 55 55 ILE CB C 55 37.589 37.589 37.547 0.042 19367 2492 1 6 . 1 1 55 55 ILE H H 55 8.373 8.373 7.755 0.618 19367 2493 1 6 . 1 1 56 56 LYS N N 56 120.661 120.661 120.926 -0.265 19367 2494 1 6 . 1 1 56 56 LYS HA H 56 3.860 3.860 4.116 -0.256 19367 2495 1 6 . 1 1 56 56 LYS CA C 56 59.835 59.835 58.360 1.475 19367 2496 1 6 . 1 1 56 56 LYS CB C 56 31.904 31.904 31.910 -0.007 19367 2497 1 6 . 1 1 56 56 LYS H H 56 8.318 8.318 8.275 0.043 19367 2498 1 6 . 1 1 57 57 ALA N N 57 119.884 119.884 121.970 -2.086 19367 2499 1 6 . 1 1 57 57 ALA HA H 57 3.784 3.784 4.196 -0.412 19367 2500 1 6 . 1 1 57 57 ALA CA C 57 54.552 54.552 54.658 -0.106 19367 2501 1 6 . 1 1 57 57 ALA CB C 57 18.251 18.251 18.445 -0.194 19367 2502 1 6 . 1 1 57 57 ALA H H 57 7.937 7.937 7.500 0.437 19367 2503 1 6 . 1 1 58 58 TYR N N 58 116.541 116.541 119.744 -3.203 19367 2504 1 6 . 1 1 58 58 TYR HA H 58 3.549 3.549 3.771 -0.222 19367 2505 1 6 . 1 1 58 58 TYR CA C 58 61.528 61.528 61.315 0.213 19367 2506 1 6 . 1 1 58 58 TYR CB C 58 37.885 37.885 38.434 -0.549 19367 2507 1 6 . 1 1 58 58 TYR H H 58 8.404 8.404 8.098 0.306 19367 2508 1 6 . 1 1 59 59 ARG N N 59 116.321 116.321 116.968 -0.647 19367 2509 1 6 . 1 1 59 59 ARG HA H 59 3.791 3.791 4.151 -0.360 19367 2510 1 6 . 1 1 59 59 ARG CA C 59 58.500 58.500 57.450 1.050 19367 2511 1 6 . 1 1 59 59 ARG CB C 59 30.268 30.268 30.215 0.053 19367 2512 1 6 . 1 1 59 59 ARG H H 59 8.404 8.404 7.786 0.618 19367 2513 1 6 . 1 1 60 60 ALA N N 60 118.867 118.867 120.470 -1.603 19367 2514 1 6 . 1 1 60 60 ALA HA H 60 4.879 4.879 4.534 0.345 19367 2515 1 6 . 1 1 60 60 ALA CA C 60 51.372 51.372 52.103 -0.731 19367 2516 1 6 . 1 1 60 60 ALA CB C 60 20.539 20.539 19.726 0.813 19367 2517 1 6 . 1 1 60 60 ALA H H 60 7.630 7.630 7.494 0.136 19367 2518 1 6 . 1 1 61 61 LEU N N 61 124.902 124.902 120.906 3.996 19367 2519 1 6 . 1 1 61 61 LEU HA H 61 4.094 4.094 4.124 -0.030 19367 2520 1 6 . 1 1 61 61 LEU CA C 61 58.442 58.442 57.321 1.121 19367 2521 1 6 . 1 1 61 61 LEU CB C 61 42.290 42.290 42.119 0.171 19367 2522 1 6 . 1 1 61 61 LEU H H 61 7.598 7.598 8.144 -0.546 19367 2523 1 6 . 1 1 62 62 ASP N N 62 117.094 117.094 118.892 -1.798 19367 2524 1 6 . 1 1 62 62 ASP HA H 62 4.345 4.345 4.495 -0.150 19367 2525 1 6 . 1 1 62 62 ASP CA C 62 56.690 56.690 55.862 0.827 19367 2526 1 6 . 1 1 62 62 ASP CB C 62 39.812 39.812 40.605 -0.793 19367 2527 1 6 . 1 1 62 62 ASP H H 62 8.686 8.686 8.781 -0.096 19367 2528 1 6 . 1 1 63 63 SER N N 63 112.854 112.854 114.618 -1.764 19367 2529 1 6 . 1 1 63 63 SER HA H 63 4.554 4.554 4.463 0.091 19367 2530 1 6 . 1 1 63 63 SER CA C 63 58.052 58.052 57.113 0.939 19367 2531 1 6 . 1 1 63 63 SER CB C 63 64.719 64.719 64.435 0.284 19367 2532 1 6 . 1 1 63 63 SER H H 63 7.969 7.969 7.404 0.565 19367 2533 1 6 . 1 1 64 64 PHE N N 64 125.623 125.623 124.883 0.740 19367 2534 1 6 . 1 1 64 64 PHE HA H 64 4.238 4.238 3.978 0.260 19367 2535 1 6 . 1 1 64 64 PHE CA C 64 56.826 56.826 58.660 -1.834 19367 2536 1 6 . 1 1 64 64 PHE CB C 64 38.210 38.210 39.244 -1.034 19367 2537 1 6 . 1 1 64 64 PHE H H 64 7.383 7.383 7.454 -0.071 19367 2538 1 6 . 1 1 65 65 ARG N N 65 133.273 133.273 124.481 8.792 19367 2539 1 6 . 1 1 65 65 ARG HA H 65 3.861 3.861 4.120 -0.259 19367 2540 1 6 . 1 1 65 65 ARG CA C 65 57.826 57.826 55.597 2.229 19367 2541 1 6 . 1 1 65 65 ARG CB C 65 31.054 31.054 30.639 0.415 19367 2542 1 6 . 1 1 65 65 ARG H H 65 10.968 10.968 7.761 3.207 19367 2543 1 6 . 1 1 66 66 GLY N N 66 103.283 103.283 106.743 -3.460 19367 2544 1 6 . 1 1 66 66 GLY CA C 66 46.309 46.309 44.800 1.509 19367 2545 1 6 . 1 1 66 66 GLY H H 66 5.673 5.673 6.329 -0.656 19367 2546 1 6 . 1 1 67 67 ASP N N 67 120.001 120.001 118.949 1.052 19367 2547 1 6 . 1 1 67 67 ASP HA H 67 4.551 4.551 4.514 0.037 19367 2548 1 6 . 1 1 67 67 ASP CA C 67 55.488 55.488 54.975 0.513 19367 2549 1 6 . 1 1 67 67 ASP CB C 67 40.655 40.655 40.923 -0.268 19367 2550 1 6 . 1 1 67 67 ASP H H 67 7.960 7.960 8.131 -0.171 19367 2551 1 6 . 1 1 68 68 SER N N 68 110.787 110.787 112.340 -1.553 19367 2552 1 6 . 1 1 68 68 SER HA H 68 4.633 4.633 4.655 -0.022 19367 2553 1 6 . 1 1 68 68 SER CA C 68 56.762 56.762 57.541 -0.778 19367 2554 1 6 . 1 1 68 68 SER CB C 68 67.439 67.439 65.087 2.352 19367 2555 1 6 . 1 1 68 68 SER H H 68 7.692 7.692 7.382 0.310 19367 2556 1 6 . 1 1 69 69 ALA N N 69 122.464 122.464 124.646 -2.182 19367 2557 1 6 . 1 1 69 69 ALA HA H 69 4.692 4.692 4.549 0.143 19367 2558 1 6 . 1 1 69 69 ALA CA C 69 52.674 52.674 52.523 0.151 19367 2559 1 6 . 1 1 69 69 ALA CB C 69 18.751 18.751 19.624 -0.873 19367 2560 1 6 . 1 1 69 69 ALA H H 69 9.726 9.726 8.686 1.040 19367 2561 1 6 . 1 1 70 70 PHE N N 70 127.188 127.188 121.989 5.199 19367 2562 1 6 . 1 1 70 70 PHE HA H 70 4.085 4.085 4.201 -0.116 19367 2563 1 6 . 1 1 70 70 PHE CA C 70 62.108 62.108 60.723 1.385 19367 2564 1 6 . 1 1 70 70 PHE CB C 70 39.054 39.054 39.590 -0.536 19367 2565 1 6 . 1 1 70 70 PHE H H 70 9.774 9.774 8.931 0.843 19367 2566 1 6 . 1 1 71 71 TYR N N 71 117.533 117.533 118.086 -0.553 19367 2567 1 6 . 1 1 71 71 TYR HA H 71 3.449 3.449 3.878 -0.429 19367 2568 1 6 . 1 1 71 71 TYR CA C 71 61.684 61.684 61.379 0.305 19367 2569 1 6 . 1 1 71 71 TYR CB C 71 37.072 37.072 37.944 -0.872 19367 2570 1 6 . 1 1 71 71 TYR H H 71 9.720 9.720 8.556 1.164 19367 2571 1 6 . 1 1 72 72 THR N N 72 114.574 114.574 116.448 -1.874 19367 2572 1 6 . 1 1 72 72 THR HA H 72 5.436 5.436 4.004 1.432 19367 2573 1 6 . 1 1 72 72 THR CA C 72 63.426 63.426 67.459 -4.033 19367 2574 1 6 . 1 1 72 72 THR CB C 72 68.762 68.762 68.387 0.375 19367 2575 1 6 . 1 1 72 72 THR H H 72 6.675 6.675 7.826 -1.151 19367 2576 1 6 . 1 1 73 73 TRP N N 73 123.561 123.561 122.411 1.150 19367 2577 1 6 . 1 1 73 73 TRP HA H 73 3.956 3.956 4.586 -0.630 19367 2578 1 6 . 1 1 73 73 TRP CA C 73 62.112 62.112 60.006 2.106 19367 2579 1 6 . 1 1 73 73 TRP CB C 73 28.971 28.971 29.621 -0.650 19367 2580 1 6 . 1 1 73 73 TRP H H 73 6.924 6.924 7.348 -0.424 19367 2581 1 6 . 1 1 74 74 LEU N N 74 118.760 118.760 121.449 -2.689 19367 2582 1 6 . 1 1 74 74 LEU HA H 74 2.960 2.960 3.364 -0.404 19367 2583 1 6 . 1 1 74 74 LEU CA C 74 57.105 57.105 57.155 -0.050 19367 2584 1 6 . 1 1 74 74 LEU CB C 74 41.503 41.503 41.347 0.156 19367 2585 1 6 . 1 1 74 74 LEU H H 74 7.903 7.903 7.760 0.143 19367 2586 1 6 . 1 1 75 75 TYR N N 75 119.616 119.616 118.764 0.852 19367 2587 1 6 . 1 1 75 75 TYR HA H 75 2.928 2.928 3.784 -0.856 19367 2588 1 6 . 1 1 75 75 TYR CA C 75 60.187 60.187 61.577 -1.389 19367 2589 1 6 . 1 1 75 75 TYR CB C 75 37.987 37.987 38.117 -0.130 19367 2590 1 6 . 1 1 75 75 TYR H H 75 8.717 8.717 7.922 0.795 19367 2591 1 6 . 1 1 76 76 ARG N N 76 116.789 116.789 117.663 -0.874 19367 2592 1 6 . 1 1 76 76 ARG HA H 76 3.634 3.634 4.041 -0.407 19367 2593 1 6 . 1 1 76 76 ARG CA C 76 56.003 56.003 57.872 -1.869 19367 2594 1 6 . 1 1 76 76 ARG CB C 76 27.476 27.476 29.345 -1.869 19367 2595 1 6 . 1 1 76 76 ARG H H 76 6.809 6.809 7.461 -0.652 19367 2596 1 6 . 1 1 77 77 ILE N N 77 117.721 117.721 119.371 -1.650 19367 2597 1 6 . 1 1 77 77 ILE HA H 77 2.853 2.853 3.601 -0.748 19367 2598 1 6 . 1 1 77 77 ILE CA C 77 65.599 65.599 64.559 1.040 19367 2599 1 6 . 1 1 77 77 ILE CB C 77 36.937 36.937 37.054 -0.117 19367 2600 1 6 . 1 1 77 77 ILE H H 77 7.316 7.316 7.252 0.064 19367 2601 1 6 . 1 1 78 78 ALA N N 78 125.528 125.528 122.826 2.702 19367 2602 1 6 . 1 1 78 78 ALA HA H 78 3.369 3.369 3.812 -0.443 19367 2603 1 6 . 1 1 78 78 ALA CA C 78 55.876 55.876 54.953 0.923 19367 2604 1 6 . 1 1 78 78 ALA CB C 78 17.833 17.833 18.031 -0.198 19367 2605 1 6 . 1 1 78 78 ALA H H 78 8.788 8.788 7.482 1.306 19367 2606 1 6 . 1 1 79 79 VAL N N 79 117.392 117.392 118.064 -0.672 19367 2607 1 6 . 1 1 79 79 VAL HA H 79 2.819 2.819 3.584 -0.765 19367 2608 1 6 . 1 1 79 79 VAL CA C 79 67.174 67.174 64.761 2.413 19367 2609 1 6 . 1 1 79 79 VAL CB C 79 31.642 31.642 31.622 0.020 19367 2610 1 6 . 1 1 79 79 VAL H H 79 8.046 8.046 7.496 0.550 19367 2611 1 6 . 1 1 80 80 ASN N N 80 117.152 117.152 117.584 -0.432 19367 2612 1 6 . 1 1 80 80 ASN HA H 80 4.368 4.368 4.506 -0.138 19367 2613 1 6 . 1 1 80 80 ASN CA C 80 55.630 55.630 55.233 0.398 19367 2614 1 6 . 1 1 80 80 ASN CB C 80 36.752 36.752 37.978 -1.226 19367 2615 1 6 . 1 1 80 80 ASN H H 80 8.146 8.146 7.988 0.158 19367 2616 1 6 . 1 1 81 81 THR N N 81 119.140 119.140 117.784 1.356 19367 2617 1 6 . 1 1 81 81 THR HA H 81 3.795 3.795 4.135 -0.340 19367 2618 1 6 . 1 1 81 81 THR CA C 81 67.441 67.441 66.300 1.141 19367 2619 1 6 . 1 1 81 81 THR CB C 81 68.102 68.102 68.618 -0.516 19367 2620 1 6 . 1 1 81 81 THR H H 81 8.320 8.320 7.942 0.378 19367 2621 1 6 . 1 1 82 82 ALA N N 82 124.957 124.957 123.337 1.620 19367 2622 1 6 . 1 1 82 82 ALA HA H 82 3.789 3.789 4.021 -0.232 19367 2623 1 6 . 1 1 82 82 ALA CA C 82 55.415 55.415 54.653 0.762 19367 2624 1 6 . 1 1 82 82 ALA CB C 82 18.020 18.020 18.237 -0.217 19367 2625 1 6 . 1 1 82 82 ALA H H 82 8.037 8.037 7.581 0.456 19367 2626 1 6 . 1 1 83 83 LYS N N 83 116.190 116.190 116.925 -0.735 19367 2627 1 6 . 1 1 83 83 LYS HA H 83 3.815 3.815 4.015 -0.200 19367 2628 1 6 . 1 1 83 83 LYS CA C 83 60.160 60.160 59.126 1.034 19367 2629 1 6 . 1 1 83 83 LYS CB C 83 32.312 32.312 32.301 0.011 19367 2630 1 6 . 1 1 83 83 LYS H H 83 8.314 8.314 7.950 0.364 19367 2631 1 6 . 1 1 84 84 ASN N N 84 117.083 117.083 118.181 -1.098 19367 2632 1 6 . 1 1 84 84 ASN HA H 84 4.486 4.486 4.531 -0.045 19367 2633 1 6 . 1 1 84 84 ASN CA C 84 55.213 55.213 55.155 0.058 19367 2634 1 6 . 1 1 84 84 ASN CB C 84 38.461 38.461 38.252 0.209 19367 2635 1 6 . 1 1 84 84 ASN H H 84 8.004 8.004 7.753 0.251 19367 2636 1 6 . 1 1 85 85 TYR N N 85 122.935 122.935 121.236 1.699 19367 2637 1 6 . 1 1 85 85 TYR HA H 85 4.147 4.147 4.305 -0.158 19367 2638 1 6 . 1 1 85 85 TYR CA C 85 61.408 61.408 61.120 0.288 19367 2639 1 6 . 1 1 85 85 TYR CB C 85 38.428 38.428 38.725 -0.297 19367 2640 1 6 . 1 1 85 85 TYR H H 85 7.935 7.935 7.528 0.407 19367 2641 1 6 . 1 1 86 86 LEU N N 86 119.119 119.119 117.380 1.739 19367 2642 1 6 . 1 1 86 86 LEU HA H 86 3.998 3.998 4.090 -0.092 19367 2643 1 6 . 1 1 86 86 LEU CA C 86 57.647 57.647 57.018 0.629 19367 2644 1 6 . 1 1 86 86 LEU CB C 86 41.906 41.906 42.282 -0.377 19367 2645 1 6 . 1 1 86 86 LEU H H 86 7.810 7.810 7.590 0.220 19367 2646 1 6 . 1 1 87 87 VAL N N 87 118.991 118.991 115.655 3.336 19367 2647 1 6 . 1 1 87 87 VAL HA H 87 3.806 3.806 3.862 -0.056 19367 2648 1 6 . 1 1 87 87 VAL CA C 87 64.989 64.989 64.877 0.112 19367 2649 1 6 . 1 1 87 87 VAL CB C 87 32.126 32.126 30.583 1.543 19367 2650 1 6 . 1 1 87 87 VAL H H 87 7.701 7.701 7.499 0.202 19367 2651 1 6 . 1 1 88 88 ALA N N 88 123.643 123.643 120.709 2.934 19367 2652 1 6 . 1 1 88 88 ALA HA H 88 4.088 4.088 4.042 0.046 19367 2653 1 6 . 1 1 88 88 ALA CA C 88 54.188 54.188 53.228 0.960 19367 2654 1 6 . 1 1 88 88 ALA CB C 88 18.460 18.460 18.604 -0.144 19367 2655 1 6 . 1 1 88 88 ALA H H 88 7.978 7.978 7.119 0.859 19367 2656 1 6 . 1 1 89 89 GLN N N 89 116.659 116.659 116.754 -0.095 19367 2657 1 6 . 1 1 89 89 GLN HA H 89 4.024 4.024 4.180 -0.156 19367 2658 1 6 . 1 1 89 89 GLN CA C 89 56.818 56.818 56.864 -0.045 19367 2659 1 6 . 1 1 89 89 GLN CB C 89 28.776 28.776 28.808 -0.032 19367 2660 1 6 . 1 1 89 89 GLN H H 89 7.974 7.974 7.167 0.807 19367 2661 1 6 . 1 1 90 90 GLY N N 90 107.464 107.464 107.756 -0.292 19367 2662 1 6 . 1 1 90 90 GLY CA C 90 45.782 45.782 45.754 0.028 19367 2663 1 6 . 1 1 90 90 GLY H H 90 7.967 7.967 7.853 0.114 19367 2664 1 6 . 1 1 91 91 ARG N N 91 119.736 119.736 117.767 1.969 19367 2665 1 6 . 1 1 91 91 ARG HA H 91 4.299 4.299 4.497 -0.198 19367 2666 1 6 . 1 1 91 91 ARG CA C 91 56.216 56.216 55.296 0.920 19367 2667 1 6 . 1 1 91 91 ARG CB C 91 30.805 30.805 29.721 1.084 19367 2668 1 6 . 1 1 91 91 ARG H H 91 7.824 7.824 7.560 0.264 19367 2669 1 6 . 1 1 92 92 ARG N N 92 120.592 120.592 121.164 -0.572 19367 2670 1 6 . 1 1 92 92 ARG HA H 92 4.270 4.270 4.163 0.107 19367 2671 1 6 . 1 1 92 92 ARG CA C 92 56.451 56.451 58.513 -2.062 19367 2672 1 6 . 1 1 92 92 ARG CB C 92 30.658 30.658 30.267 0.392 19367 2673 1 6 . 1 1 92 92 ARG H H 92 8.038 8.038 7.659 0.379 19367 2674 1 6 . 1 1 93 93 LEU N N 93 122.274 122.274 117.123 5.151 19367 2675 1 6 . 1 1 93 93 LEU HA H 93 4.258 4.258 4.626 -0.368 19367 2676 1 6 . 1 1 93 93 LEU CA C 93 55.463 55.463 54.373 1.090 19367 2677 1 6 . 1 1 93 93 LEU CB C 93 42.203 42.203 42.540 -0.337 19367 2678 1 6 . 1 1 93 93 LEU H H 93 8.147 8.147 7.797 0.350 19367 2679 1 6 . 1 1 94 94 GLU N N 94 120.794 120.794 119.929 0.865 19367 2680 1 6 . 1 1 94 94 GLU HA H 94 4.249 4.249 4.490 -0.241 19367 2681 1 6 . 1 1 94 94 GLU CA C 94 56.557 56.557 55.955 0.602 19367 2682 1 6 . 1 1 94 94 GLU CB C 94 30.103 30.103 32.899 -2.796 19367 2683 1 6 . 1 1 94 94 GLU H H 94 8.241 8.241 7.497 0.744 19367 2684 1 6 . 1 1 95 95 LEU N N 95 122.290 122.290 123.525 -1.235 19367 2685 1 6 . 1 1 95 95 LEU HA H 95 4.312 4.312 4.477 -0.165 19367 2686 1 6 . 1 1 95 95 LEU CA C 95 55.080 55.080 55.377 -0.297 19367 2687 1 6 . 1 1 95 95 LEU CB C 95 42.130 42.130 42.137 -0.007 19367 2688 1 6 . 1 1 95 95 LEU H H 95 8.068 8.068 8.246 -0.178 19367 2689 1 7 . 1 1 4 4 GLN N N 4 121.848 121.848 120.879 0.969 19367 2690 1 7 . 1 1 4 4 GLN HA H 4 4.307 4.307 4.502 -0.195 19367 2691 1 7 . 1 1 4 4 GLN CA C 4 55.724 55.724 55.714 0.010 19367 2692 1 7 . 1 1 4 4 GLN CB C 4 29.297 29.297 29.605 -0.308 19367 2693 1 7 . 1 1 4 4 GLN H H 4 8.500 8.500 8.476 0.024 19367 2694 1 7 . 1 1 5 5 LEU N N 5 124.347 124.347 117.336 7.011 19367 2695 1 7 . 1 1 5 5 LEU HA H 5 4.548 4.548 4.826 -0.278 19367 2696 1 7 . 1 1 5 5 LEU CA C 5 53.785 53.785 53.347 0.438 19367 2697 1 7 . 1 1 5 5 LEU CB C 5 41.886 41.886 41.443 0.443 19367 2698 1 7 . 1 1 5 5 LEU H H 5 8.565 8.565 8.321 0.244 19367 2699 1 7 . 1 1 6 6 THR N N 6 114.442 114.442 111.765 2.677 19367 2700 1 7 . 1 1 6 6 THR HA H 6 4.353 4.353 4.190 0.163 19367 2701 1 7 . 1 1 6 6 THR CA C 6 61.195 61.195 62.154 -0.959 19367 2702 1 7 . 1 1 6 6 THR CB C 6 70.541 70.541 70.279 0.262 19367 2703 1 7 . 1 1 6 6 THR H H 6 7.950 7.950 7.765 0.185 19367 2704 1 7 . 1 1 7 7 ASP N N 7 120.959 120.959 119.414 1.545 19367 2705 1 7 . 1 1 7 7 ASP HA H 7 4.197 4.197 4.293 -0.096 19367 2706 1 7 . 1 1 7 7 ASP CA C 7 57.820 57.820 57.123 0.697 19367 2707 1 7 . 1 1 7 7 ASP CB C 7 39.621 39.621 40.478 -0.857 19367 2708 1 7 . 1 1 7 7 ASP H H 7 9.008 9.008 9.055 -0.047 19367 2709 1 7 . 1 1 8 8 GLN N N 8 116.649 116.649 119.391 -2.742 19367 2710 1 7 . 1 1 8 8 GLN HA H 8 4.012 4.012 4.289 -0.277 19367 2711 1 7 . 1 1 8 8 GLN CA C 8 59.746 59.746 58.429 1.317 19367 2712 1 7 . 1 1 8 8 GLN CB C 8 28.188 28.188 28.468 -0.280 19367 2713 1 7 . 1 1 8 8 GLN H H 8 8.561 8.561 7.574 0.987 19367 2714 1 7 . 1 1 9 9 VAL N N 9 120.579 120.579 120.934 -0.355 19367 2715 1 7 . 1 1 9 9 VAL HA H 9 3.760 3.760 4.129 -0.369 19367 2716 1 7 . 1 1 9 9 VAL CA C 9 66.108 66.108 64.140 1.968 19367 2717 1 7 . 1 1 9 9 VAL CB C 9 31.558 31.558 31.378 0.180 19367 2718 1 7 . 1 1 9 9 VAL H H 9 7.450 7.450 7.371 0.079 19367 2719 1 7 . 1 1 10 10 LEU N N 10 119.806 119.806 120.503 -0.697 19367 2720 1 7 . 1 1 10 10 LEU HA H 10 3.917 3.917 4.147 -0.230 19367 2721 1 7 . 1 1 10 10 LEU CA C 10 58.415 58.415 57.294 1.121 19367 2722 1 7 . 1 1 10 10 LEU CB C 10 41.299 41.299 41.570 -0.271 19367 2723 1 7 . 1 1 10 10 LEU H H 10 7.865 7.865 8.053 -0.188 19367 2724 1 7 . 1 1 11 11 VAL N N 11 119.041 119.041 118.845 0.196 19367 2725 1 7 . 1 1 11 11 VAL HA H 11 3.280 3.280 3.537 -0.257 19367 2726 1 7 . 1 1 11 11 VAL CA C 11 67.631 67.631 66.534 1.097 19367 2727 1 7 . 1 1 11 11 VAL CB C 11 31.723 31.723 31.478 0.245 19367 2728 1 7 . 1 1 11 11 VAL H H 11 8.734 8.734 7.394 1.340 19367 2729 1 7 . 1 1 12 12 GLU N N 12 119.018 119.018 119.946 -0.928 19367 2730 1 7 . 1 1 12 12 GLU HA H 12 4.110 4.110 4.304 -0.194 19367 2731 1 7 . 1 1 12 12 GLU CA C 12 59.514 59.514 58.946 0.568 19367 2732 1 7 . 1 1 12 12 GLU CB C 12 28.603 28.603 29.361 -0.758 19367 2733 1 7 . 1 1 12 12 GLU H H 12 7.802 7.802 7.632 0.170 19367 2734 1 7 . 1 1 13 13 ARG N N 13 117.242 117.242 119.633 -2.391 19367 2735 1 7 . 1 1 13 13 ARG HA H 13 4.011 4.011 4.176 -0.165 19367 2736 1 7 . 1 1 13 13 ARG CA C 13 60.016 60.016 58.935 1.081 19367 2737 1 7 . 1 1 13 13 ARG CB C 13 27.737 27.737 30.237 -2.500 19367 2738 1 7 . 1 1 13 13 ARG H H 13 8.107 8.107 7.675 0.432 19367 2739 1 7 . 1 1 14 14 VAL N N 14 121.430 121.430 119.628 1.802 19367 2740 1 7 . 1 1 14 14 VAL HA H 14 3.767 3.767 4.096 -0.329 19367 2741 1 7 . 1 1 14 14 VAL CA C 14 66.462 66.462 66.073 0.389 19367 2742 1 7 . 1 1 14 14 VAL CB C 14 31.616 31.616 32.190 -0.574 19367 2743 1 7 . 1 1 14 14 VAL H H 14 8.435 8.435 7.547 0.888 19367 2744 1 7 . 1 1 15 15 GLN N N 15 120.667 120.667 117.531 3.136 19367 2745 1 7 . 1 1 15 15 GLN HA H 15 4.088 4.088 4.060 0.028 19367 2746 1 7 . 1 1 15 15 GLN CA C 15 58.628 58.628 57.786 0.842 19367 2747 1 7 . 1 1 15 15 GLN CB C 15 27.995 27.995 28.152 -0.157 19367 2748 1 7 . 1 1 15 15 GLN H H 15 8.670 8.670 7.785 0.885 19367 2749 1 7 . 1 1 16 16 LYS N N 16 116.797 116.797 119.519 -2.722 19367 2750 1 7 . 1 1 16 16 LYS HA H 16 4.374 4.374 4.173 0.201 19367 2751 1 7 . 1 1 16 16 LYS CA C 16 56.278 56.278 56.484 -0.206 19367 2752 1 7 . 1 1 16 16 LYS CB C 16 32.299 32.299 32.872 -0.573 19367 2753 1 7 . 1 1 16 16 LYS H H 16 7.700 7.700 7.658 0.042 19367 2754 1 7 . 1 1 17 17 GLY N N 17 107.001 107.001 106.895 0.106 19367 2755 1 7 . 1 1 17 17 GLY CA C 17 45.608 45.608 44.571 1.037 19367 2756 1 7 . 1 1 17 17 GLY H H 17 7.927 7.927 7.741 0.186 19367 2757 1 7 . 1 1 18 18 ASP N N 18 121.666 121.666 121.907 -0.241 19367 2758 1 7 . 1 1 18 18 ASP HA H 18 4.769 4.769 4.708 0.061 19367 2759 1 7 . 1 1 18 18 ASP CA C 18 52.999 52.999 54.144 -1.145 19367 2760 1 7 . 1 1 18 18 ASP CB C 18 40.814 40.814 41.734 -0.920 19367 2761 1 7 . 1 1 18 18 ASP H H 18 8.255 8.255 7.699 0.556 19367 2762 1 7 . 1 1 19 19 GLN N N 19 124.874 124.874 127.304 -2.430 19367 2763 1 7 . 1 1 19 19 GLN HA H 19 4.150 4.150 4.314 -0.164 19367 2764 1 7 . 1 1 19 19 GLN CA C 19 58.922 58.922 57.869 1.053 19367 2765 1 7 . 1 1 19 19 GLN CB C 19 28.759 28.759 28.839 -0.080 19367 2766 1 7 . 1 1 19 19 GLN H H 19 8.392 8.392 8.936 -0.544 19367 2767 1 7 . 1 1 20 20 LYS N N 20 119.006 119.006 119.572 -0.566 19367 2768 1 7 . 1 1 20 20 LYS HA H 20 4.118 4.118 4.223 -0.105 19367 2769 1 7 . 1 1 20 20 LYS CA C 20 58.642 58.642 57.933 0.709 19367 2770 1 7 . 1 1 20 20 LYS CB C 20 31.678 31.678 32.187 -0.509 19367 2771 1 7 . 1 1 20 20 LYS H H 20 8.348 8.348 8.358 -0.010 19367 2772 1 7 . 1 1 21 21 ALA N N 21 121.687 121.687 122.363 -0.676 19367 2773 1 7 . 1 1 21 21 ALA HA H 21 4.010 4.010 4.147 -0.137 19367 2774 1 7 . 1 1 21 21 ALA CA C 21 54.485 54.485 54.998 -0.513 19367 2775 1 7 . 1 1 21 21 ALA CB C 21 18.634 18.634 18.318 0.316 19367 2776 1 7 . 1 1 21 21 ALA H H 21 7.500 7.500 8.481 -0.981 19367 2777 1 7 . 1 1 22 22 PHE N N 22 117.219 117.219 118.116 -0.897 19367 2778 1 7 . 1 1 22 22 PHE HA H 22 3.994 3.994 4.309 -0.316 19367 2779 1 7 . 1 1 22 22 PHE CA C 22 61.907 61.907 60.437 1.470 19367 2780 1 7 . 1 1 22 22 PHE CB C 22 38.571 38.571 39.759 -1.188 19367 2781 1 7 . 1 1 22 22 PHE H H 22 7.810 7.810 7.539 0.271 19367 2782 1 7 . 1 1 23 23 ASN N N 23 115.600 115.600 118.888 -3.288 19367 2783 1 7 . 1 1 23 23 ASN HA H 23 4.163 4.163 4.266 -0.103 19367 2784 1 7 . 1 1 23 23 ASN CA C 23 56.264 56.264 56.441 -0.177 19367 2785 1 7 . 1 1 23 23 ASN CB C 23 38.131 38.131 38.409 -0.278 19367 2786 1 7 . 1 1 23 23 ASN H H 23 7.711 7.711 7.854 -0.143 19367 2787 1 7 . 1 1 24 24 LEU N N 24 117.605 117.605 119.189 -1.584 19367 2788 1 7 . 1 1 24 24 LEU HA H 24 3.999 3.999 4.140 -0.141 19367 2789 1 7 . 1 1 24 24 LEU CA C 24 57.811 57.811 57.194 0.617 19367 2790 1 7 . 1 1 24 24 LEU CB C 24 41.367 41.367 41.635 -0.268 19367 2791 1 7 . 1 1 24 24 LEU H H 24 7.344 7.344 7.588 -0.244 19367 2792 1 7 . 1 1 25 25 LEU N N 25 120.426 120.426 120.613 -0.187 19367 2793 1 7 . 1 1 25 25 LEU HA H 25 3.938 3.938 3.982 -0.044 19367 2794 1 7 . 1 1 25 25 LEU CA C 25 57.863 57.863 57.384 0.479 19367 2795 1 7 . 1 1 25 25 LEU CB C 25 41.479 41.479 41.645 -0.167 19367 2796 1 7 . 1 1 25 25 LEU H H 25 7.036 7.036 7.307 -0.271 19367 2797 1 7 . 1 1 26 26 VAL N N 26 119.676 119.676 119.309 0.367 19367 2798 1 7 . 1 1 26 26 VAL HA H 26 2.857 2.857 2.707 0.150 19367 2799 1 7 . 1 1 26 26 VAL CA C 26 65.821 65.821 66.178 -0.357 19367 2800 1 7 . 1 1 26 26 VAL CB C 26 30.816 30.816 30.574 0.242 19367 2801 1 7 . 1 1 26 26 VAL H H 26 7.369 7.369 7.871 -0.502 19367 2802 1 7 . 1 1 27 27 VAL N N 27 117.098 117.098 117.424 -0.326 19367 2803 1 7 . 1 1 27 27 VAL HA H 27 3.542 3.542 3.652 -0.110 19367 2804 1 7 . 1 1 27 27 VAL CA C 27 65.837 65.837 65.332 0.505 19367 2805 1 7 . 1 1 27 27 VAL CB C 27 31.728 31.728 30.855 0.873 19367 2806 1 7 . 1 1 27 27 VAL H H 27 7.816 7.816 7.401 0.415 19367 2807 1 7 . 1 1 28 28 ARG N N 28 118.592 118.592 119.770 -1.178 19367 2808 1 7 . 1 1 28 28 ARG HA H 28 3.838 3.838 3.917 -0.079 19367 2809 1 7 . 1 1 28 28 ARG CA C 28 59.356 59.356 58.698 0.658 19367 2810 1 7 . 1 1 28 28 ARG CB C 28 31.069 31.069 30.191 0.878 19367 2811 1 7 . 1 1 28 28 ARG H H 28 7.491 7.491 7.385 0.106 19367 2812 1 7 . 1 1 29 29 TYR N N 29 112.635 112.635 115.762 -3.127 19367 2813 1 7 . 1 1 29 29 TYR HA H 29 4.945 4.945 4.945 -0.000 19367 2814 1 7 . 1 1 29 29 TYR CA C 29 60.438 60.438 57.920 2.518 19367 2815 1 7 . 1 1 29 29 TYR CB C 29 40.619 40.619 39.182 1.437 19367 2816 1 7 . 1 1 29 29 TYR H H 29 7.675 7.675 7.504 0.171 19367 2817 1 7 . 1 1 30 30 GLN N N 30 123.043 123.043 122.042 1.001 19367 2818 1 7 . 1 1 30 30 GLN HA H 30 4.119 4.119 4.310 -0.191 19367 2819 1 7 . 1 1 30 30 GLN CA C 30 61.409 61.409 60.068 1.341 19367 2820 1 7 . 1 1 30 30 GLN CB C 30 26.933 26.933 28.471 -1.538 19367 2821 1 7 . 1 1 30 30 GLN H H 30 9.056 9.056 8.079 0.977 19367 2822 1 7 . 1 1 31 31 HIS N N 31 118.704 118.704 117.149 1.555 19367 2823 1 7 . 1 1 31 31 HIS HA H 31 4.435 4.435 4.527 -0.092 19367 2824 1 7 . 1 1 31 31 HIS CA C 31 59.580 59.580 58.610 0.970 19367 2825 1 7 . 1 1 31 31 HIS CB C 31 29.396 29.396 30.152 -0.756 19367 2826 1 7 . 1 1 31 31 HIS H H 31 8.616 8.616 8.640 -0.024 19367 2827 1 7 . 1 1 32 32 LYS N N 32 122.594 122.594 119.586 3.008 19367 2828 1 7 . 1 1 32 32 LYS HA H 32 4.029 4.029 4.189 -0.160 19367 2829 1 7 . 1 1 32 32 LYS CA C 32 59.869 59.869 59.020 0.849 19367 2830 1 7 . 1 1 32 32 LYS CB C 32 32.580 32.580 32.803 -0.223 19367 2831 1 7 . 1 1 32 32 LYS H H 32 7.848 7.848 7.486 0.362 19367 2832 1 7 . 1 1 33 33 VAL N N 33 119.621 119.621 119.837 -0.216 19367 2833 1 7 . 1 1 33 33 VAL HA H 33 3.480 3.480 3.903 -0.423 19367 2834 1 7 . 1 1 33 33 VAL CA C 33 66.671 66.671 64.310 2.361 19367 2835 1 7 . 1 1 33 33 VAL CB C 33 31.142 31.142 31.480 -0.338 19367 2836 1 7 . 1 1 33 33 VAL H H 33 8.653 8.653 8.755 -0.102 19367 2837 1 7 . 1 1 34 34 ALA N N 34 122.622 122.622 122.527 0.095 19367 2838 1 7 . 1 1 34 34 ALA HA H 34 3.736 3.736 4.021 -0.285 19367 2839 1 7 . 1 1 34 34 ALA CA C 34 55.762 55.762 55.140 0.622 19367 2840 1 7 . 1 1 34 34 ALA CB C 34 17.681 17.681 18.189 -0.508 19367 2841 1 7 . 1 1 34 34 ALA H H 34 8.498 8.498 7.732 0.766 19367 2842 1 7 . 1 1 35 35 SER N N 35 113.674 113.674 114.660 -0.986 19367 2843 1 7 . 1 1 35 35 SER HA H 35 4.040 4.040 4.183 -0.143 19367 2844 1 7 . 1 1 35 35 SER CA C 35 61.765 61.765 60.909 0.856 19367 2845 1 7 . 1 1 35 35 SER CB C 35 62.766 62.766 62.999 -0.233 19367 2846 1 7 . 1 1 35 35 SER H H 35 7.897 7.897 7.523 0.374 19367 2847 1 7 . 1 1 36 36 LEU N N 36 123.203 123.203 122.773 0.430 19367 2848 1 7 . 1 1 36 36 LEU HA H 36 3.992 3.992 4.234 -0.242 19367 2849 1 7 . 1 1 36 36 LEU CA C 36 57.863 57.863 57.563 0.300 19367 2850 1 7 . 1 1 36 36 LEU CB C 36 42.718 42.718 41.864 0.854 19367 2851 1 7 . 1 1 36 36 LEU H H 36 7.494 7.494 7.202 0.292 19367 2852 1 7 . 1 1 37 37 VAL N N 37 114.122 114.122 115.863 -1.741 19367 2853 1 7 . 1 1 37 37 VAL HA H 37 3.627 3.627 4.089 -0.462 19367 2854 1 7 . 1 1 37 37 VAL CA C 37 65.879 65.879 65.065 0.814 19367 2855 1 7 . 1 1 37 37 VAL CB C 37 31.214 31.214 31.107 0.107 19367 2856 1 7 . 1 1 37 37 VAL H H 37 8.530 8.530 8.146 0.384 19367 2857 1 7 . 1 1 38 38 SER N N 38 116.259 116.259 116.810 -0.551 19367 2858 1 7 . 1 1 38 38 SER HA H 38 4.276 4.276 4.337 -0.061 19367 2859 1 7 . 1 1 38 38 SER CA C 38 60.898 60.898 61.142 -0.244 19367 2860 1 7 . 1 1 38 38 SER CB C 38 63.143 63.143 63.011 0.132 19367 2861 1 7 . 1 1 38 38 SER H H 38 8.136 8.136 7.741 0.395 19367 2862 1 7 . 1 1 39 39 ARG N N 39 119.029 119.029 118.509 0.520 19367 2863 1 7 . 1 1 39 39 ARG HA H 39 3.995 3.995 3.968 0.027 19367 2864 1 7 . 1 1 39 39 ARG CA C 39 57.640 57.640 57.584 0.056 19367 2865 1 7 . 1 1 39 39 ARG CB C 39 29.719 29.719 30.084 -0.365 19367 2866 1 7 . 1 1 39 39 ARG H H 39 7.310 7.310 7.197 0.113 19367 2867 1 7 . 1 1 40 40 TYR N N 40 114.123 114.123 115.395 -1.272 19367 2868 1 7 . 1 1 40 40 TYR HA H 40 4.472 4.472 4.682 -0.210 19367 2869 1 7 . 1 1 40 40 TYR CA C 40 59.298 59.298 57.824 1.474 19367 2870 1 7 . 1 1 40 40 TYR CB C 40 42.809 42.809 40.915 1.894 19367 2871 1 7 . 1 1 40 40 TYR H H 40 7.786 7.786 7.764 0.022 19367 2872 1 7 . 1 1 41 41 VAL N N 41 112.721 112.721 114.290 -1.569 19367 2873 1 7 . 1 1 41 41 VAL HA H 41 4.853 4.853 4.718 0.135 19367 2874 1 7 . 1 1 41 41 VAL CA C 41 57.942 57.942 58.232 -0.290 19367 2875 1 7 . 1 1 41 41 VAL CB C 41 33.171 33.171 33.478 -0.307 19367 2876 1 7 . 1 1 41 41 VAL H H 41 7.388 7.388 7.780 -0.392 19367 2877 1 7 . 1 1 42 42 PRO HA H 42 4.415 4.415 4.785 -0.370 19367 2878 1 7 . 1 1 42 42 PRO CA C 42 62.645 62.645 62.611 0.034 19367 2879 1 7 . 1 1 42 42 PRO CB C 42 32.603 32.603 32.803 -0.200 19367 2880 1 7 . 1 1 43 43 SER N N 43 116.784 116.784 115.617 1.167 19367 2881 1 7 . 1 1 43 43 SER HA H 43 4.009 4.009 4.193 -0.184 19367 2882 1 7 . 1 1 43 43 SER CA C 43 62.098 62.098 60.159 1.939 19367 2883 1 7 . 1 1 43 43 SER CB C 43 62.862 62.862 62.684 0.178 19367 2884 1 7 . 1 1 43 43 SER H H 43 8.602 8.602 8.463 0.139 19367 2885 1 7 . 1 1 44 44 GLY N N 44 107.756 107.756 109.077 -1.321 19367 2886 1 7 . 1 1 44 44 GLY CA C 44 46.503 46.503 45.692 0.811 19367 2887 1 7 . 1 1 44 44 GLY H H 44 8.812 8.812 8.216 0.596 19367 2888 1 7 . 1 1 45 45 ASP N N 45 117.822 117.822 119.825 -2.003 19367 2889 1 7 . 1 1 45 45 ASP HA H 45 4.875 4.875 4.810 0.065 19367 2890 1 7 . 1 1 45 45 ASP CA C 45 54.770 54.770 54.005 0.764 19367 2891 1 7 . 1 1 45 45 ASP CB C 45 42.593 42.593 42.191 0.402 19367 2892 1 7 . 1 1 45 45 ASP H H 45 7.764 7.764 8.032 -0.268 19367 2893 1 7 . 1 1 46 46 VAL N N 46 119.385 119.385 121.875 -2.490 19367 2894 1 7 . 1 1 46 46 VAL HA H 46 3.233 3.233 3.741 -0.508 19367 2895 1 7 . 1 1 46 46 VAL CA C 46 68.546 68.546 68.425 0.121 19367 2896 1 7 . 1 1 46 46 VAL CB C 46 29.851 29.851 29.345 0.506 19367 2897 1 7 . 1 1 46 46 VAL H H 46 7.148 7.148 7.493 -0.345 19367 2898 1 7 . 1 1 47 47 PRO HA H 47 4.113 4.113 4.276 -0.163 19367 2899 1 7 . 1 1 47 47 PRO CA C 47 66.527 66.527 65.910 0.617 19367 2900 1 7 . 1 1 47 47 PRO CB C 47 28.496 28.496 31.348 -2.852 19367 2901 1 7 . 1 1 48 48 ASP N N 48 116.654 116.654 118.579 -1.925 19367 2902 1 7 . 1 1 48 48 ASP HA H 48 4.384 4.384 4.510 -0.126 19367 2903 1 7 . 1 1 48 48 ASP CA C 48 57.268 57.268 56.631 0.637 19367 2904 1 7 . 1 1 48 48 ASP CB C 48 40.657 40.657 40.897 -0.240 19367 2905 1 7 . 1 1 48 48 ASP H H 48 7.473 7.473 7.457 0.016 19367 2906 1 7 . 1 1 49 49 VAL N N 49 121.848 121.848 119.919 1.929 19367 2907 1 7 . 1 1 49 49 VAL HA H 49 3.364 3.364 3.662 -0.298 19367 2908 1 7 . 1 1 49 49 VAL CA C 49 66.354 66.354 65.706 0.648 19367 2909 1 7 . 1 1 49 49 VAL CB C 49 30.961 30.961 31.751 -0.790 19367 2910 1 7 . 1 1 49 49 VAL H H 49 7.600 7.600 7.715 -0.115 19367 2911 1 7 . 1 1 50 50 VAL N N 50 119.961 119.961 120.246 -0.285 19367 2912 1 7 . 1 1 50 50 VAL HA H 50 3.176 3.176 3.560 -0.384 19367 2913 1 7 . 1 1 50 50 VAL CA C 50 67.270 67.270 66.600 0.670 19367 2914 1 7 . 1 1 50 50 VAL CB C 50 31.662 31.662 31.621 0.041 19367 2915 1 7 . 1 1 50 50 VAL H H 50 8.567 8.567 8.360 0.207 19367 2916 1 7 . 1 1 51 51 GLN N N 51 116.203 116.203 118.569 -2.366 19367 2917 1 7 . 1 1 51 51 GLN HA H 51 4.204 4.204 4.250 -0.046 19367 2918 1 7 . 1 1 51 51 GLN CA C 51 59.334 59.334 58.575 0.759 19367 2919 1 7 . 1 1 51 51 GLN CB C 51 28.717 28.717 28.485 0.232 19367 2920 1 7 . 1 1 51 51 GLN H H 51 7.802 7.802 7.713 0.089 19367 2921 1 7 . 1 1 52 52 GLU N N 52 119.616 119.616 119.840 -0.224 19367 2922 1 7 . 1 1 52 52 GLU HA H 52 4.085 4.085 4.202 -0.117 19367 2923 1 7 . 1 1 52 52 GLU CA C 52 59.267 59.267 58.356 0.911 19367 2924 1 7 . 1 1 52 52 GLU CB C 52 29.178 29.178 29.547 -0.369 19367 2925 1 7 . 1 1 52 52 GLU H H 52 7.880 7.880 7.684 0.196 19367 2926 1 7 . 1 1 53 53 ALA N N 53 120.964 120.964 121.967 -1.003 19367 2927 1 7 . 1 1 53 53 ALA HA H 53 3.713 3.713 4.120 -0.407 19367 2928 1 7 . 1 1 53 53 ALA CA C 53 55.176 55.176 54.365 0.811 19367 2929 1 7 . 1 1 53 53 ALA CB C 53 16.573 16.573 18.318 -1.745 19367 2930 1 7 . 1 1 53 53 ALA H H 53 8.381 8.381 7.415 0.966 19367 2931 1 7 . 1 1 54 54 PHE N N 54 113.370 113.370 117.530 -4.160 19367 2932 1 7 . 1 1 54 54 PHE HA H 54 4.329 4.329 4.573 -0.244 19367 2933 1 7 . 1 1 54 54 PHE CA C 54 63.496 63.496 61.166 2.329 19367 2934 1 7 . 1 1 54 54 PHE CB C 54 39.097 39.097 39.284 -0.187 19367 2935 1 7 . 1 1 54 54 PHE H H 54 7.942 7.942 7.748 0.194 19367 2936 1 7 . 1 1 55 55 ILE N N 55 121.983 121.983 120.142 1.841 19367 2937 1 7 . 1 1 55 55 ILE HA H 55 3.946 3.946 3.948 -0.002 19367 2938 1 7 . 1 1 55 55 ILE CA C 55 64.969 64.969 63.611 1.358 19367 2939 1 7 . 1 1 55 55 ILE CB C 55 37.589 37.589 37.692 -0.103 19367 2940 1 7 . 1 1 55 55 ILE H H 55 8.373 8.373 7.849 0.524 19367 2941 1 7 . 1 1 56 56 LYS N N 56 120.661 120.661 120.745 -0.084 19367 2942 1 7 . 1 1 56 56 LYS HA H 56 3.860 3.860 4.160 -0.300 19367 2943 1 7 . 1 1 56 56 LYS CA C 56 59.835 59.835 58.419 1.416 19367 2944 1 7 . 1 1 56 56 LYS CB C 56 31.904 31.904 31.944 -0.040 19367 2945 1 7 . 1 1 56 56 LYS H H 56 8.318 8.318 7.780 0.538 19367 2946 1 7 . 1 1 57 57 ALA N N 57 119.884 119.884 122.109 -2.225 19367 2947 1 7 . 1 1 57 57 ALA HA H 57 3.784 3.784 4.189 -0.405 19367 2948 1 7 . 1 1 57 57 ALA CA C 57 54.552 54.552 54.733 -0.181 19367 2949 1 7 . 1 1 57 57 ALA CB C 57 18.251 18.251 18.467 -0.216 19367 2950 1 7 . 1 1 57 57 ALA H H 57 7.937 7.937 7.511 0.426 19367 2951 1 7 . 1 1 58 58 TYR N N 58 116.541 116.541 119.688 -3.147 19367 2952 1 7 . 1 1 58 58 TYR HA H 58 3.549 3.549 3.799 -0.250 19367 2953 1 7 . 1 1 58 58 TYR CA C 58 61.528 61.528 61.419 0.109 19367 2954 1 7 . 1 1 58 58 TYR CB C 58 37.885 37.885 38.499 -0.614 19367 2955 1 7 . 1 1 58 58 TYR H H 58 8.404 8.404 8.184 0.220 19367 2956 1 7 . 1 1 59 59 ARG N N 59 116.321 116.321 115.659 0.662 19367 2957 1 7 . 1 1 59 59 ARG HA H 59 3.791 3.791 4.154 -0.363 19367 2958 1 7 . 1 1 59 59 ARG CA C 59 58.500 58.500 57.162 1.338 19367 2959 1 7 . 1 1 59 59 ARG CB C 59 30.268 30.268 30.343 -0.075 19367 2960 1 7 . 1 1 59 59 ARG H H 59 8.404 8.404 7.742 0.662 19367 2961 1 7 . 1 1 60 60 ALA N N 60 118.867 118.867 120.326 -1.459 19367 2962 1 7 . 1 1 60 60 ALA HA H 60 4.879 4.879 4.646 0.233 19367 2963 1 7 . 1 1 60 60 ALA CA C 60 51.372 51.372 52.172 -0.800 19367 2964 1 7 . 1 1 60 60 ALA CB C 60 20.539 20.539 20.158 0.381 19367 2965 1 7 . 1 1 60 60 ALA H H 60 7.630 7.630 7.347 0.283 19367 2966 1 7 . 1 1 61 61 LEU N N 61 124.902 124.902 121.089 3.813 19367 2967 1 7 . 1 1 61 61 LEU HA H 61 4.094 4.094 4.133 -0.039 19367 2968 1 7 . 1 1 61 61 LEU CA C 61 58.442 58.442 57.432 1.010 19367 2969 1 7 . 1 1 61 61 LEU CB C 61 42.290 42.290 42.136 0.154 19367 2970 1 7 . 1 1 61 61 LEU H H 61 7.598 7.598 8.121 -0.523 19367 2971 1 7 . 1 1 62 62 ASP N N 62 117.094 117.094 118.846 -1.752 19367 2972 1 7 . 1 1 62 62 ASP HA H 62 4.345 4.345 4.518 -0.173 19367 2973 1 7 . 1 1 62 62 ASP CA C 62 56.690 56.690 55.882 0.808 19367 2974 1 7 . 1 1 62 62 ASP CB C 62 39.812 39.812 40.523 -0.711 19367 2975 1 7 . 1 1 62 62 ASP H H 62 8.686 8.686 8.823 -0.137 19367 2976 1 7 . 1 1 63 63 SER N N 63 112.854 112.854 114.687 -1.833 19367 2977 1 7 . 1 1 63 63 SER HA H 63 4.554 4.554 4.538 0.016 19367 2978 1 7 . 1 1 63 63 SER CA C 63 58.052 58.052 57.841 0.211 19367 2979 1 7 . 1 1 63 63 SER CB C 63 64.719 64.719 64.135 0.584 19367 2980 1 7 . 1 1 63 63 SER H H 63 7.969 7.969 7.429 0.539 19367 2981 1 7 . 1 1 64 64 PHE N N 64 125.623 125.623 123.929 1.694 19367 2982 1 7 . 1 1 64 64 PHE HA H 64 4.238 4.238 3.955 0.283 19367 2983 1 7 . 1 1 64 64 PHE CA C 64 56.826 56.826 58.570 -1.744 19367 2984 1 7 . 1 1 64 64 PHE CB C 64 38.210 38.210 39.418 -1.208 19367 2985 1 7 . 1 1 64 64 PHE H H 64 7.383 7.383 7.477 -0.094 19367 2986 1 7 . 1 1 65 65 ARG N N 65 133.273 133.273 123.510 9.763 19367 2987 1 7 . 1 1 65 65 ARG HA H 65 3.861 3.861 4.136 -0.275 19367 2988 1 7 . 1 1 65 65 ARG CA C 65 57.826 57.826 55.720 2.106 19367 2989 1 7 . 1 1 65 65 ARG CB C 65 31.054 31.054 30.510 0.544 19367 2990 1 7 . 1 1 65 65 ARG H H 65 10.968 10.968 7.924 3.044 19367 2991 1 7 . 1 1 66 66 GLY N N 66 103.283 103.283 106.765 -3.482 19367 2992 1 7 . 1 1 66 66 GLY CA C 66 46.309 46.309 44.695 1.614 19367 2993 1 7 . 1 1 66 66 GLY H H 66 5.673 5.673 6.224 -0.551 19367 2994 1 7 . 1 1 67 67 ASP N N 67 120.001 120.001 119.164 0.837 19367 2995 1 7 . 1 1 67 67 ASP HA H 67 4.551 4.551 4.573 -0.022 19367 2996 1 7 . 1 1 67 67 ASP CA C 67 55.488 55.488 55.090 0.398 19367 2997 1 7 . 1 1 67 67 ASP CB C 67 40.655 40.655 41.054 -0.399 19367 2998 1 7 . 1 1 67 67 ASP H H 67 7.960 7.960 8.090 -0.130 19367 2999 1 7 . 1 1 68 68 SER N N 68 110.787 110.787 112.043 -1.256 19367 3000 1 7 . 1 1 68 68 SER HA H 68 4.633 4.633 4.642 -0.009 19367 3001 1 7 . 1 1 68 68 SER CA C 68 56.762 56.762 57.549 -0.787 19367 3002 1 7 . 1 1 68 68 SER CB C 68 67.439 67.439 65.038 2.401 19367 3003 1 7 . 1 1 68 68 SER H H 68 7.692 7.692 7.380 0.312 19367 3004 1 7 . 1 1 69 69 ALA N N 69 122.464 122.464 124.089 -1.625 19367 3005 1 7 . 1 1 69 69 ALA HA H 69 4.692 4.692 4.414 0.278 19367 3006 1 7 . 1 1 69 69 ALA CA C 69 52.674 52.674 52.763 -0.089 19367 3007 1 7 . 1 1 69 69 ALA CB C 69 18.751 18.751 19.544 -0.793 19367 3008 1 7 . 1 1 69 69 ALA H H 69 9.726 9.726 8.657 1.069 19367 3009 1 7 . 1 1 70 70 PHE N N 70 127.188 127.188 122.251 4.937 19367 3010 1 7 . 1 1 70 70 PHE HA H 70 4.085 4.085 4.178 -0.093 19367 3011 1 7 . 1 1 70 70 PHE CA C 70 62.108 62.108 61.339 0.769 19367 3012 1 7 . 1 1 70 70 PHE CB C 70 39.054 39.054 39.810 -0.756 19367 3013 1 7 . 1 1 70 70 PHE H H 70 9.774 9.774 8.778 0.996 19367 3014 1 7 . 1 1 71 71 TYR N N 71 117.533 117.533 118.179 -0.646 19367 3015 1 7 . 1 1 71 71 TYR HA H 71 3.449 3.449 3.905 -0.456 19367 3016 1 7 . 1 1 71 71 TYR CA C 71 61.684 61.684 60.906 0.778 19367 3017 1 7 . 1 1 71 71 TYR CB C 71 37.072 37.072 37.987 -0.915 19367 3018 1 7 . 1 1 71 71 TYR H H 71 9.720 9.720 8.762 0.958 19367 3019 1 7 . 1 1 72 72 THR N N 72 114.574 114.574 116.157 -1.583 19367 3020 1 7 . 1 1 72 72 THR HA H 72 5.436 5.436 3.919 1.517 19367 3021 1 7 . 1 1 72 72 THR CA C 72 63.426 63.426 66.684 -3.258 19367 3022 1 7 . 1 1 72 72 THR CB C 72 68.762 68.762 68.323 0.439 19367 3023 1 7 . 1 1 72 72 THR H H 72 6.675 6.675 7.820 -1.145 19367 3024 1 7 . 1 1 73 73 TRP N N 73 123.561 123.561 123.365 0.196 19367 3025 1 7 . 1 1 73 73 TRP HA H 73 3.956 3.956 4.547 -0.591 19367 3026 1 7 . 1 1 73 73 TRP CA C 73 62.112 62.112 60.214 1.899 19367 3027 1 7 . 1 1 73 73 TRP CB C 73 28.971 28.971 29.437 -0.466 19367 3028 1 7 . 1 1 73 73 TRP H H 73 6.924 6.924 7.302 -0.378 19367 3029 1 7 . 1 1 74 74 LEU N N 74 118.760 118.760 121.392 -2.632 19367 3030 1 7 . 1 1 74 74 LEU HA H 74 2.960 2.960 3.354 -0.394 19367 3031 1 7 . 1 1 74 74 LEU CA C 74 57.105 57.105 56.961 0.144 19367 3032 1 7 . 1 1 74 74 LEU CB C 74 41.503 41.503 41.388 0.115 19367 3033 1 7 . 1 1 74 74 LEU H H 74 7.903 7.903 7.912 -0.009 19367 3034 1 7 . 1 1 75 75 TYR N N 75 119.616 119.616 118.525 1.091 19367 3035 1 7 . 1 1 75 75 TYR HA H 75 2.928 2.928 3.735 -0.807 19367 3036 1 7 . 1 1 75 75 TYR CA C 75 60.187 60.187 61.253 -1.066 19367 3037 1 7 . 1 1 75 75 TYR CB C 75 37.987 37.987 38.060 -0.073 19367 3038 1 7 . 1 1 75 75 TYR H H 75 8.717 8.717 8.121 0.596 19367 3039 1 7 . 1 1 76 76 ARG N N 76 116.789 116.789 117.464 -0.675 19367 3040 1 7 . 1 1 76 76 ARG HA H 76 3.634 3.634 4.033 -0.399 19367 3041 1 7 . 1 1 76 76 ARG CA C 76 56.003 56.003 58.114 -2.111 19367 3042 1 7 . 1 1 76 76 ARG CB C 76 27.476 27.476 29.670 -2.194 19367 3043 1 7 . 1 1 76 76 ARG H H 76 6.809 6.809 7.466 -0.657 19367 3044 1 7 . 1 1 77 77 ILE N N 77 117.721 117.721 119.559 -1.838 19367 3045 1 7 . 1 1 77 77 ILE HA H 77 2.853 2.853 3.597 -0.744 19367 3046 1 7 . 1 1 77 77 ILE CA C 77 65.599 65.599 64.448 1.151 19367 3047 1 7 . 1 1 77 77 ILE CB C 77 36.937 36.937 37.206 -0.269 19367 3048 1 7 . 1 1 77 77 ILE H H 77 7.316 7.316 7.159 0.157 19367 3049 1 7 . 1 1 78 78 ALA N N 78 125.528 125.528 123.219 2.309 19367 3050 1 7 . 1 1 78 78 ALA HA H 78 3.369 3.369 3.838 -0.469 19367 3051 1 7 . 1 1 78 78 ALA CA C 78 55.876 55.876 54.850 1.026 19367 3052 1 7 . 1 1 78 78 ALA CB C 78 17.833 17.833 18.122 -0.289 19367 3053 1 7 . 1 1 78 78 ALA H H 78 8.788 8.788 7.995 0.793 19367 3054 1 7 . 1 1 79 79 VAL N N 79 117.392 117.392 117.675 -0.283 19367 3055 1 7 . 1 1 79 79 VAL HA H 79 2.819 2.819 3.458 -0.639 19367 3056 1 7 . 1 1 79 79 VAL CA C 79 67.174 67.174 64.966 2.208 19367 3057 1 7 . 1 1 79 79 VAL CB C 79 31.642 31.642 31.982 -0.340 19367 3058 1 7 . 1 1 79 79 VAL H H 79 8.046 8.046 7.620 0.426 19367 3059 1 7 . 1 1 80 80 ASN N N 80 117.152 117.152 117.065 0.087 19367 3060 1 7 . 1 1 80 80 ASN HA H 80 4.368 4.368 4.521 -0.153 19367 3061 1 7 . 1 1 80 80 ASN CA C 80 55.630 55.630 55.094 0.536 19367 3062 1 7 . 1 1 80 80 ASN CB C 80 36.752 36.752 38.105 -1.353 19367 3063 1 7 . 1 1 80 80 ASN H H 80 8.146 8.146 7.645 0.501 19367 3064 1 7 . 1 1 81 81 THR N N 81 119.140 119.140 117.980 1.160 19367 3065 1 7 . 1 1 81 81 THR HA H 81 3.795 3.795 4.046 -0.251 19367 3066 1 7 . 1 1 81 81 THR CA C 81 67.441 67.441 66.721 0.720 19367 3067 1 7 . 1 1 81 81 THR CB C 81 68.102 68.102 68.550 -0.449 19367 3068 1 7 . 1 1 81 81 THR H H 81 8.320 8.320 8.118 0.202 19367 3069 1 7 . 1 1 82 82 ALA N N 82 124.957 124.957 122.746 2.211 19367 3070 1 7 . 1 1 82 82 ALA HA H 82 3.789 3.789 4.059 -0.270 19367 3071 1 7 . 1 1 82 82 ALA CA C 82 55.415 55.415 54.704 0.711 19367 3072 1 7 . 1 1 82 82 ALA CB C 82 18.020 18.020 18.265 -0.245 19367 3073 1 7 . 1 1 82 82 ALA H H 82 8.037 8.037 7.678 0.359 19367 3074 1 7 . 1 1 83 83 LYS N N 83 116.190 116.190 117.472 -1.282 19367 3075 1 7 . 1 1 83 83 LYS HA H 83 3.815 3.815 4.037 -0.222 19367 3076 1 7 . 1 1 83 83 LYS CA C 83 60.160 60.160 58.834 1.326 19367 3077 1 7 . 1 1 83 83 LYS CB C 83 32.312 32.312 32.465 -0.153 19367 3078 1 7 . 1 1 83 83 LYS H H 83 8.314 8.314 7.583 0.731 19367 3079 1 7 . 1 1 84 84 ASN N N 84 117.083 117.083 117.752 -0.669 19367 3080 1 7 . 1 1 84 84 ASN HA H 84 4.486 4.486 4.504 -0.018 19367 3081 1 7 . 1 1 84 84 ASN CA C 84 55.213 55.213 55.224 -0.011 19367 3082 1 7 . 1 1 84 84 ASN CB C 84 38.461 38.461 38.245 0.216 19367 3083 1 7 . 1 1 84 84 ASN H H 84 8.004 8.004 7.941 0.063 19367 3084 1 7 . 1 1 85 85 TYR N N 85 122.935 122.935 121.227 1.708 19367 3085 1 7 . 1 1 85 85 TYR HA H 85 4.147 4.147 4.272 -0.125 19367 3086 1 7 . 1 1 85 85 TYR CA C 85 61.408 61.408 61.385 0.023 19367 3087 1 7 . 1 1 85 85 TYR CB C 85 38.428 38.428 38.659 -0.231 19367 3088 1 7 . 1 1 85 85 TYR H H 85 7.935 7.935 7.543 0.392 19367 3089 1 7 . 1 1 86 86 LEU N N 86 119.119 119.119 117.162 1.957 19367 3090 1 7 . 1 1 86 86 LEU HA H 86 3.998 3.998 3.984 0.014 19367 3091 1 7 . 1 1 86 86 LEU CA C 86 57.647 57.647 57.117 0.530 19367 3092 1 7 . 1 1 86 86 LEU CB C 86 41.906 41.906 41.853 0.053 19367 3093 1 7 . 1 1 86 86 LEU H H 86 7.810 7.810 7.470 0.340 19367 3094 1 7 . 1 1 87 87 VAL N N 87 118.991 118.991 114.136 4.855 19367 3095 1 7 . 1 1 87 87 VAL HA H 87 3.806 3.806 4.039 -0.233 19367 3096 1 7 . 1 1 87 87 VAL CA C 87 64.989 64.989 63.733 1.256 19367 3097 1 7 . 1 1 87 87 VAL CB C 87 32.126 32.126 30.874 1.252 19367 3098 1 7 . 1 1 87 87 VAL H H 87 7.701 7.701 7.246 0.455 19367 3099 1 7 . 1 1 88 88 ALA N N 88 123.643 123.643 122.796 0.847 19367 3100 1 7 . 1 1 88 88 ALA HA H 88 4.088 4.088 4.117 -0.029 19367 3101 1 7 . 1 1 88 88 ALA CA C 88 54.188 54.188 54.622 -0.434 19367 3102 1 7 . 1 1 88 88 ALA CB C 88 18.460 18.460 18.235 0.225 19367 3103 1 7 . 1 1 88 88 ALA H H 88 7.978 7.978 7.513 0.465 19367 3104 1 7 . 1 1 89 89 GLN N N 89 116.659 116.659 115.821 0.838 19367 3105 1 7 . 1 1 89 89 GLN HA H 89 4.024 4.024 4.337 -0.313 19367 3106 1 7 . 1 1 89 89 GLN CA C 89 56.818 56.818 56.883 -0.065 19367 3107 1 7 . 1 1 89 89 GLN CB C 89 28.776 28.776 29.343 -0.567 19367 3108 1 7 . 1 1 89 89 GLN H H 89 7.974 7.974 7.607 0.367 19367 3109 1 7 . 1 1 90 90 GLY N N 90 107.464 107.464 108.126 -0.662 19367 3110 1 7 . 1 1 90 90 GLY CA C 90 45.782 45.782 45.831 -0.049 19367 3111 1 7 . 1 1 90 90 GLY H H 90 7.967 7.967 7.639 0.328 19367 3112 1 7 . 1 1 91 91 ARG N N 91 119.736 119.736 118.192 1.544 19367 3113 1 7 . 1 1 91 91 ARG HA H 91 4.299 4.299 4.792 -0.493 19367 3114 1 7 . 1 1 91 91 ARG CA C 91 56.216 56.216 55.123 1.093 19367 3115 1 7 . 1 1 91 91 ARG CB C 91 30.805 30.805 30.307 0.498 19367 3116 1 7 . 1 1 91 91 ARG H H 91 7.824 7.824 7.450 0.374 19367 3117 1 7 . 1 1 92 92 ARG N N 92 120.592 120.592 119.658 0.934 19367 3118 1 7 . 1 1 92 92 ARG HA H 92 4.270 4.270 4.247 0.023 19367 3119 1 7 . 1 1 92 92 ARG CA C 92 56.451 56.451 58.137 -1.686 19367 3120 1 7 . 1 1 92 92 ARG CB C 92 30.658 30.658 30.631 0.028 19367 3121 1 7 . 1 1 92 92 ARG H H 92 8.038 8.038 7.368 0.670 19367 3122 1 7 . 1 1 93 93 LEU N N 93 122.274 122.274 117.772 4.502 19367 3123 1 7 . 1 1 93 93 LEU HA H 93 4.258 4.258 4.467 -0.209 19367 3124 1 7 . 1 1 93 93 LEU CA C 93 55.463 55.463 55.545 -0.082 19367 3125 1 7 . 1 1 93 93 LEU CB C 93 42.203 42.203 43.132 -0.929 19367 3126 1 7 . 1 1 93 93 LEU H H 93 8.147 8.147 7.579 0.568 19367 3127 1 7 . 1 1 94 94 GLU N N 94 120.794 120.794 119.520 1.274 19367 3128 1 7 . 1 1 94 94 GLU HA H 94 4.249 4.249 4.428 -0.179 19367 3129 1 7 . 1 1 94 94 GLU CA C 94 56.557 56.557 55.649 0.908 19367 3130 1 7 . 1 1 94 94 GLU CB C 94 30.103 30.103 32.590 -2.487 19367 3131 1 7 . 1 1 94 94 GLU H H 94 8.241 8.241 7.507 0.734 19367 3132 1 7 . 1 1 95 95 LEU N N 95 122.290 122.290 121.605 0.685 19367 3133 1 7 . 1 1 95 95 LEU HA H 95 4.312 4.312 4.017 0.295 19367 3134 1 7 . 1 1 95 95 LEU CA C 95 55.080 55.080 55.470 -0.390 19367 3135 1 7 . 1 1 95 95 LEU CB C 95 42.130 42.130 41.104 1.026 19367 3136 1 7 . 1 1 95 95 LEU H H 95 8.068 8.068 8.631 -0.563 19367 3137 1 8 . 1 1 4 4 GLN N N 4 121.848 121.848 119.350 2.498 19367 3138 1 8 . 1 1 4 4 GLN HA H 4 4.307 4.307 4.654 -0.347 19367 3139 1 8 . 1 1 4 4 GLN CA C 4 55.724 55.724 54.682 1.042 19367 3140 1 8 . 1 1 4 4 GLN CB C 4 29.297 29.297 30.507 -1.210 19367 3141 1 8 . 1 1 4 4 GLN H H 4 8.500 8.500 8.266 0.234 19367 3142 1 8 . 1 1 5 5 LEU N N 5 124.347 124.347 124.748 -0.401 19367 3143 1 8 . 1 1 5 5 LEU HA H 5 4.548 4.548 4.455 0.093 19367 3144 1 8 . 1 1 5 5 LEU CA C 5 53.785 53.785 54.573 -0.788 19367 3145 1 8 . 1 1 5 5 LEU CB C 5 41.886 41.886 40.038 1.848 19367 3146 1 8 . 1 1 5 5 LEU H H 5 8.565 8.565 8.761 -0.196 19367 3147 1 8 . 1 1 6 6 THR N N 6 114.442 114.442 114.209 0.233 19367 3148 1 8 . 1 1 6 6 THR HA H 6 4.353 4.353 4.395 -0.042 19367 3149 1 8 . 1 1 6 6 THR CA C 6 61.195 61.195 61.077 0.118 19367 3150 1 8 . 1 1 6 6 THR CB C 6 70.541 70.541 70.683 -0.143 19367 3151 1 8 . 1 1 6 6 THR H H 6 7.950 7.950 7.878 0.072 19367 3152 1 8 . 1 1 7 7 ASP N N 7 120.959 120.959 119.029 1.930 19367 3153 1 8 . 1 1 7 7 ASP HA H 7 4.197 4.197 4.340 -0.143 19367 3154 1 8 . 1 1 7 7 ASP CA C 7 57.820 57.820 56.811 1.009 19367 3155 1 8 . 1 1 7 7 ASP CB C 7 39.621 39.621 40.295 -0.675 19367 3156 1 8 . 1 1 7 7 ASP H H 7 9.008 9.008 9.054 -0.046 19367 3157 1 8 . 1 1 8 8 GLN N N 8 116.649 116.649 119.515 -2.866 19367 3158 1 8 . 1 1 8 8 GLN HA H 8 4.012 4.012 4.226 -0.214 19367 3159 1 8 . 1 1 8 8 GLN CA C 8 59.746 59.746 58.557 1.189 19367 3160 1 8 . 1 1 8 8 GLN CB C 8 28.188 28.188 28.891 -0.703 19367 3161 1 8 . 1 1 8 8 GLN H H 8 8.561 8.561 7.460 1.101 19367 3162 1 8 . 1 1 9 9 VAL N N 9 120.579 120.579 119.998 0.581 19367 3163 1 8 . 1 1 9 9 VAL HA H 9 3.760 3.760 4.161 -0.401 19367 3164 1 8 . 1 1 9 9 VAL CA C 9 66.108 66.108 63.733 2.375 19367 3165 1 8 . 1 1 9 9 VAL CB C 9 31.558 31.558 32.097 -0.539 19367 3166 1 8 . 1 1 9 9 VAL H H 9 7.450 7.450 7.411 0.039 19367 3167 1 8 . 1 1 10 10 LEU N N 10 119.806 119.806 120.799 -0.993 19367 3168 1 8 . 1 1 10 10 LEU HA H 10 3.917 3.917 4.238 -0.321 19367 3169 1 8 . 1 1 10 10 LEU CA C 10 58.415 58.415 57.658 0.757 19367 3170 1 8 . 1 1 10 10 LEU CB C 10 41.299 41.299 41.846 -0.547 19367 3171 1 8 . 1 1 10 10 LEU H H 10 7.865 7.865 7.830 0.035 19367 3172 1 8 . 1 1 11 11 VAL N N 11 119.041 119.041 118.435 0.606 19367 3173 1 8 . 1 1 11 11 VAL HA H 11 3.280 3.280 3.552 -0.272 19367 3174 1 8 . 1 1 11 11 VAL CA C 11 67.631 67.631 66.597 1.034 19367 3175 1 8 . 1 1 11 11 VAL CB C 11 31.723 31.723 31.645 0.078 19367 3176 1 8 . 1 1 11 11 VAL H H 11 8.734 8.734 7.486 1.248 19367 3177 1 8 . 1 1 12 12 GLU N N 12 119.018 119.018 118.635 0.383 19367 3178 1 8 . 1 1 12 12 GLU HA H 12 4.110 4.110 4.074 0.036 19367 3179 1 8 . 1 1 12 12 GLU CA C 12 59.514 59.514 58.673 0.841 19367 3180 1 8 . 1 1 12 12 GLU CB C 12 28.603 28.603 28.940 -0.337 19367 3181 1 8 . 1 1 12 12 GLU H H 12 7.802 7.802 7.697 0.105 19367 3182 1 8 . 1 1 13 13 ARG N N 13 117.242 117.242 120.119 -2.877 19367 3183 1 8 . 1 1 13 13 ARG HA H 13 4.011 4.011 4.144 -0.133 19367 3184 1 8 . 1 1 13 13 ARG CA C 13 60.016 60.016 58.965 1.051 19367 3185 1 8 . 1 1 13 13 ARG CB C 13 27.737 27.737 30.238 -2.501 19367 3186 1 8 . 1 1 13 13 ARG H H 13 8.107 8.107 7.498 0.609 19367 3187 1 8 . 1 1 14 14 VAL N N 14 121.430 121.430 119.147 2.283 19367 3188 1 8 . 1 1 14 14 VAL HA H 14 3.767 3.767 4.133 -0.366 19367 3189 1 8 . 1 1 14 14 VAL CA C 14 66.462 66.462 65.680 0.783 19367 3190 1 8 . 1 1 14 14 VAL CB C 14 31.616 31.616 31.931 -0.315 19367 3191 1 8 . 1 1 14 14 VAL H H 14 8.435 8.435 7.494 0.941 19367 3192 1 8 . 1 1 15 15 GLN N N 15 120.667 120.667 119.172 1.495 19367 3193 1 8 . 1 1 15 15 GLN HA H 15 4.088 4.088 4.113 -0.025 19367 3194 1 8 . 1 1 15 15 GLN CA C 15 58.628 58.628 58.142 0.486 19367 3195 1 8 . 1 1 15 15 GLN CB C 15 27.995 27.995 28.504 -0.509 19367 3196 1 8 . 1 1 15 15 GLN H H 15 8.670 8.670 7.620 1.050 19367 3197 1 8 . 1 1 16 16 LYS N N 16 116.797 116.797 117.557 -0.760 19367 3198 1 8 . 1 1 16 16 LYS HA H 16 4.374 4.374 4.285 0.089 19367 3199 1 8 . 1 1 16 16 LYS CA C 16 56.278 56.278 56.140 0.138 19367 3200 1 8 . 1 1 16 16 LYS CB C 16 32.299 32.299 32.121 0.178 19367 3201 1 8 . 1 1 16 16 LYS H H 16 7.700 7.700 7.470 0.230 19367 3202 1 8 . 1 1 17 17 GLY N N 17 107.001 107.001 108.019 -1.018 19367 3203 1 8 . 1 1 17 17 GLY CA C 17 45.608 45.608 44.941 0.667 19367 3204 1 8 . 1 1 17 17 GLY H H 17 7.927 7.927 7.790 0.137 19367 3205 1 8 . 1 1 18 18 ASP N N 18 121.666 121.666 121.787 -0.121 19367 3206 1 8 . 1 1 18 18 ASP HA H 18 4.769 4.769 4.715 0.054 19367 3207 1 8 . 1 1 18 18 ASP CA C 18 52.999 52.999 53.883 -0.884 19367 3208 1 8 . 1 1 18 18 ASP CB C 18 40.814 40.814 41.303 -0.489 19367 3209 1 8 . 1 1 18 18 ASP H H 18 8.255 8.255 7.590 0.665 19367 3210 1 8 . 1 1 19 19 GLN N N 19 124.874 124.874 125.684 -0.810 19367 3211 1 8 . 1 1 19 19 GLN HA H 19 4.150 4.150 4.365 -0.215 19367 3212 1 8 . 1 1 19 19 GLN CA C 19 58.922 58.922 58.082 0.840 19367 3213 1 8 . 1 1 19 19 GLN CB C 19 28.759 28.759 29.037 -0.278 19367 3214 1 8 . 1 1 19 19 GLN H H 19 8.392 8.392 8.681 -0.289 19367 3215 1 8 . 1 1 20 20 LYS N N 20 119.006 119.006 119.050 -0.044 19367 3216 1 8 . 1 1 20 20 LYS HA H 20 4.118 4.118 4.171 -0.053 19367 3217 1 8 . 1 1 20 20 LYS CA C 20 58.642 58.642 58.169 0.473 19367 3218 1 8 . 1 1 20 20 LYS CB C 20 31.678 31.678 32.084 -0.406 19367 3219 1 8 . 1 1 20 20 LYS H H 20 8.348 8.348 8.157 0.191 19367 3220 1 8 . 1 1 21 21 ALA N N 21 121.687 121.687 121.703 -0.016 19367 3221 1 8 . 1 1 21 21 ALA HA H 21 4.010 4.010 4.177 -0.167 19367 3222 1 8 . 1 1 21 21 ALA CA C 21 54.485 54.485 54.728 -0.243 19367 3223 1 8 . 1 1 21 21 ALA CB C 21 18.634 18.634 18.163 0.471 19367 3224 1 8 . 1 1 21 21 ALA H H 21 7.500 7.500 8.255 -0.755 19367 3225 1 8 . 1 1 22 22 PHE N N 22 117.219 117.219 118.805 -1.586 19367 3226 1 8 . 1 1 22 22 PHE HA H 22 3.994 3.994 4.235 -0.241 19367 3227 1 8 . 1 1 22 22 PHE CA C 22 61.907 61.907 60.853 1.054 19367 3228 1 8 . 1 1 22 22 PHE CB C 22 38.571 38.571 39.591 -1.020 19367 3229 1 8 . 1 1 22 22 PHE H H 22 7.810 7.810 7.772 0.038 19367 3230 1 8 . 1 1 23 23 ASN N N 23 115.600 115.600 119.013 -3.413 19367 3231 1 8 . 1 1 23 23 ASN HA H 23 4.163 4.163 4.333 -0.170 19367 3232 1 8 . 1 1 23 23 ASN CA C 23 56.264 56.264 56.459 -0.195 19367 3233 1 8 . 1 1 23 23 ASN CB C 23 38.131 38.131 38.450 -0.320 19367 3234 1 8 . 1 1 23 23 ASN H H 23 7.711 7.711 7.782 -0.071 19367 3235 1 8 . 1 1 24 24 LEU N N 24 117.605 117.605 119.357 -1.752 19367 3236 1 8 . 1 1 24 24 LEU HA H 24 3.999 3.999 4.137 -0.138 19367 3237 1 8 . 1 1 24 24 LEU CA C 24 57.811 57.811 57.065 0.746 19367 3238 1 8 . 1 1 24 24 LEU CB C 24 41.367 41.367 40.972 0.395 19367 3239 1 8 . 1 1 24 24 LEU H H 24 7.344 7.344 7.618 -0.274 19367 3240 1 8 . 1 1 25 25 LEU N N 25 120.426 120.426 120.617 -0.191 19367 3241 1 8 . 1 1 25 25 LEU HA H 25 3.938 3.938 4.027 -0.089 19367 3242 1 8 . 1 1 25 25 LEU CA C 25 57.863 57.863 57.188 0.674 19367 3243 1 8 . 1 1 25 25 LEU CB C 25 41.479 41.479 41.581 -0.102 19367 3244 1 8 . 1 1 25 25 LEU H H 25 7.036 7.036 7.306 -0.270 19367 3245 1 8 . 1 1 26 26 VAL N N 26 119.676 119.676 119.404 0.272 19367 3246 1 8 . 1 1 26 26 VAL HA H 26 2.857 2.857 2.735 0.122 19367 3247 1 8 . 1 1 26 26 VAL CA C 26 65.821 65.821 66.534 -0.713 19367 3248 1 8 . 1 1 26 26 VAL CB C 26 30.816 30.816 31.084 -0.268 19367 3249 1 8 . 1 1 26 26 VAL H H 26 7.369 7.369 7.593 -0.224 19367 3250 1 8 . 1 1 27 27 VAL N N 27 117.098 117.098 117.793 -0.695 19367 3251 1 8 . 1 1 27 27 VAL HA H 27 3.542 3.542 3.498 0.044 19367 3252 1 8 . 1 1 27 27 VAL CA C 27 65.837 65.837 65.570 0.267 19367 3253 1 8 . 1 1 27 27 VAL CB C 27 31.728 31.728 31.255 0.474 19367 3254 1 8 . 1 1 27 27 VAL H H 27 7.816 7.816 7.447 0.369 19367 3255 1 8 . 1 1 28 28 ARG N N 28 118.592 118.592 119.129 -0.537 19367 3256 1 8 . 1 1 28 28 ARG HA H 28 3.838 3.838 3.964 -0.126 19367 3257 1 8 . 1 1 28 28 ARG CA C 28 59.356 59.356 58.492 0.864 19367 3258 1 8 . 1 1 28 28 ARG CB C 28 31.069 31.069 30.415 0.654 19367 3259 1 8 . 1 1 28 28 ARG H H 28 7.491 7.491 7.394 0.097 19367 3260 1 8 . 1 1 29 29 TYR N N 29 112.635 112.635 116.486 -3.851 19367 3261 1 8 . 1 1 29 29 TYR HA H 29 4.945 4.945 4.927 0.018 19367 3262 1 8 . 1 1 29 29 TYR CA C 29 60.438 60.438 58.022 2.416 19367 3263 1 8 . 1 1 29 29 TYR CB C 29 40.619 40.619 39.510 1.109 19367 3264 1 8 . 1 1 29 29 TYR H H 29 7.675 7.675 7.502 0.173 19367 3265 1 8 . 1 1 30 30 GLN N N 30 123.043 123.043 121.303 1.740 19367 3266 1 8 . 1 1 30 30 GLN HA H 30 4.119 4.119 4.306 -0.187 19367 3267 1 8 . 1 1 30 30 GLN CA C 30 61.409 61.409 59.658 1.751 19367 3268 1 8 . 1 1 30 30 GLN CB C 30 26.933 26.933 27.824 -0.891 19367 3269 1 8 . 1 1 30 30 GLN H H 30 9.056 9.056 8.141 0.915 19367 3270 1 8 . 1 1 31 31 HIS N N 31 118.704 118.704 117.703 1.001 19367 3271 1 8 . 1 1 31 31 HIS HA H 31 4.435 4.435 4.599 -0.164 19367 3272 1 8 . 1 1 31 31 HIS CA C 31 59.580 59.580 57.938 1.642 19367 3273 1 8 . 1 1 31 31 HIS CB C 31 29.396 29.396 29.880 -0.484 19367 3274 1 8 . 1 1 31 31 HIS H H 31 8.616 8.616 8.341 0.275 19367 3275 1 8 . 1 1 32 32 LYS N N 32 122.594 122.594 120.797 1.797 19367 3276 1 8 . 1 1 32 32 LYS HA H 32 4.029 4.029 4.273 -0.244 19367 3277 1 8 . 1 1 32 32 LYS CA C 32 59.869 59.869 58.765 1.104 19367 3278 1 8 . 1 1 32 32 LYS CB C 32 32.580 32.580 33.000 -0.420 19367 3279 1 8 . 1 1 32 32 LYS H H 32 7.848 7.848 7.629 0.219 19367 3280 1 8 . 1 1 33 33 VAL N N 33 119.621 119.621 119.848 -0.227 19367 3281 1 8 . 1 1 33 33 VAL HA H 33 3.480 3.480 3.997 -0.517 19367 3282 1 8 . 1 1 33 33 VAL CA C 33 66.671 66.671 64.286 2.385 19367 3283 1 8 . 1 1 33 33 VAL CB C 33 31.142 31.142 31.500 -0.358 19367 3284 1 8 . 1 1 33 33 VAL H H 33 8.653 8.653 8.741 -0.088 19367 3285 1 8 . 1 1 34 34 ALA N N 34 122.622 122.622 121.952 0.670 19367 3286 1 8 . 1 1 34 34 ALA HA H 34 3.736 3.736 4.104 -0.368 19367 3287 1 8 . 1 1 34 34 ALA CA C 34 55.762 55.762 54.919 0.843 19367 3288 1 8 . 1 1 34 34 ALA CB C 34 17.681 17.681 18.286 -0.605 19367 3289 1 8 . 1 1 34 34 ALA H H 34 8.498 8.498 7.747 0.751 19367 3290 1 8 . 1 1 35 35 SER N N 35 113.674 113.674 114.646 -0.972 19367 3291 1 8 . 1 1 35 35 SER HA H 35 4.040 4.040 4.291 -0.251 19367 3292 1 8 . 1 1 35 35 SER CA C 35 61.765 61.765 60.676 1.089 19367 3293 1 8 . 1 1 35 35 SER CB C 35 62.766 62.766 63.239 -0.473 19367 3294 1 8 . 1 1 35 35 SER H H 35 7.897 7.897 7.740 0.157 19367 3295 1 8 . 1 1 36 36 LEU N N 36 123.203 123.203 123.417 -0.214 19367 3296 1 8 . 1 1 36 36 LEU HA H 36 3.992 3.992 4.243 -0.251 19367 3297 1 8 . 1 1 36 36 LEU CA C 36 57.863 57.863 57.711 0.152 19367 3298 1 8 . 1 1 36 36 LEU CB C 36 42.718 42.718 41.943 0.775 19367 3299 1 8 . 1 1 36 36 LEU H H 36 7.494 7.494 7.341 0.153 19367 3300 1 8 . 1 1 37 37 VAL N N 37 114.122 114.122 114.678 -0.556 19367 3301 1 8 . 1 1 37 37 VAL HA H 37 3.627 3.627 4.002 -0.375 19367 3302 1 8 . 1 1 37 37 VAL CA C 37 65.879 65.879 65.424 0.455 19367 3303 1 8 . 1 1 37 37 VAL CB C 37 31.214 31.214 31.069 0.145 19367 3304 1 8 . 1 1 37 37 VAL H H 37 8.530 8.530 8.260 0.270 19367 3305 1 8 . 1 1 38 38 SER N N 38 116.259 116.259 115.891 0.368 19367 3306 1 8 . 1 1 38 38 SER HA H 38 4.276 4.276 4.361 -0.085 19367 3307 1 8 . 1 1 38 38 SER CA C 38 60.898 60.898 60.025 0.873 19367 3308 1 8 . 1 1 38 38 SER CB C 38 63.143 63.143 62.882 0.261 19367 3309 1 8 . 1 1 38 38 SER H H 38 8.136 8.136 7.715 0.421 19367 3310 1 8 . 1 1 39 39 ARG N N 39 119.029 119.029 118.472 0.557 19367 3311 1 8 . 1 1 39 39 ARG HA H 39 3.995 3.995 3.976 0.019 19367 3312 1 8 . 1 1 39 39 ARG CA C 39 57.640 57.640 57.617 0.023 19367 3313 1 8 . 1 1 39 39 ARG CB C 39 29.719 29.719 30.156 -0.437 19367 3314 1 8 . 1 1 39 39 ARG H H 39 7.310 7.310 7.316 -0.006 19367 3315 1 8 . 1 1 40 40 TYR N N 40 114.123 114.123 115.549 -1.426 19367 3316 1 8 . 1 1 40 40 TYR HA H 40 4.472 4.472 4.701 -0.229 19367 3317 1 8 . 1 1 40 40 TYR CA C 40 59.298 59.298 58.172 1.125 19367 3318 1 8 . 1 1 40 40 TYR CB C 40 42.809 42.809 41.364 1.445 19367 3319 1 8 . 1 1 40 40 TYR H H 40 7.786 7.786 7.781 0.005 19367 3320 1 8 . 1 1 41 41 VAL N N 41 112.721 112.721 113.738 -1.017 19367 3321 1 8 . 1 1 41 41 VAL HA H 41 4.853 4.853 4.779 0.074 19367 3322 1 8 . 1 1 41 41 VAL CA C 41 57.942 57.942 58.420 -0.478 19367 3323 1 8 . 1 1 41 41 VAL CB C 41 33.171 33.171 34.258 -1.087 19367 3324 1 8 . 1 1 41 41 VAL H H 41 7.388 7.388 7.878 -0.490 19367 3325 1 8 . 1 1 42 42 PRO HA H 42 4.415 4.415 4.702 -0.287 19367 3326 1 8 . 1 1 42 42 PRO CA C 42 62.645 62.645 62.647 -0.002 19367 3327 1 8 . 1 1 42 42 PRO CB C 42 32.603 32.603 32.734 -0.131 19367 3328 1 8 . 1 1 43 43 SER N N 43 116.784 116.784 116.677 0.107 19367 3329 1 8 . 1 1 43 43 SER HA H 43 4.009 4.009 4.175 -0.166 19367 3330 1 8 . 1 1 43 43 SER CA C 43 62.098 62.098 60.397 1.701 19367 3331 1 8 . 1 1 43 43 SER CB C 43 62.862 62.862 62.622 0.240 19367 3332 1 8 . 1 1 43 43 SER H H 43 8.602 8.602 8.581 0.021 19367 3333 1 8 . 1 1 44 44 GLY N N 44 107.756 107.756 109.001 -1.245 19367 3334 1 8 . 1 1 44 44 GLY CA C 44 46.503 46.503 45.688 0.815 19367 3335 1 8 . 1 1 44 44 GLY H H 44 8.812 8.812 8.225 0.587 19367 3336 1 8 . 1 1 45 45 ASP N N 45 117.822 117.822 119.842 -2.020 19367 3337 1 8 . 1 1 45 45 ASP HA H 45 4.875 4.875 4.837 0.038 19367 3338 1 8 . 1 1 45 45 ASP CA C 45 54.770 54.770 54.064 0.706 19367 3339 1 8 . 1 1 45 45 ASP CB C 45 42.593 42.593 42.442 0.151 19367 3340 1 8 . 1 1 45 45 ASP H H 45 7.764 7.764 8.054 -0.290 19367 3341 1 8 . 1 1 46 46 VAL N N 46 119.385 119.385 121.941 -2.556 19367 3342 1 8 . 1 1 46 46 VAL HA H 46 3.233 3.233 3.761 -0.528 19367 3343 1 8 . 1 1 46 46 VAL CA C 46 68.546 68.546 68.486 0.060 19367 3344 1 8 . 1 1 46 46 VAL CB C 46 29.851 29.851 29.432 0.419 19367 3345 1 8 . 1 1 46 46 VAL H H 46 7.148 7.148 7.545 -0.397 19367 3346 1 8 . 1 1 47 47 PRO HA H 47 4.113 4.113 4.268 -0.155 19367 3347 1 8 . 1 1 47 47 PRO CA C 47 66.527 66.527 65.927 0.601 19367 3348 1 8 . 1 1 47 47 PRO CB C 47 28.496 28.496 31.338 -2.842 19367 3349 1 8 . 1 1 48 48 ASP N N 48 116.654 116.654 117.834 -1.180 19367 3350 1 8 . 1 1 48 48 ASP HA H 48 4.384 4.384 4.501 -0.117 19367 3351 1 8 . 1 1 48 48 ASP CA C 48 57.268 57.268 56.458 0.810 19367 3352 1 8 . 1 1 48 48 ASP CB C 48 40.657 40.657 41.145 -0.488 19367 3353 1 8 . 1 1 48 48 ASP H H 48 7.473 7.473 7.400 0.073 19367 3354 1 8 . 1 1 49 49 VAL N N 49 121.848 121.848 119.515 2.333 19367 3355 1 8 . 1 1 49 49 VAL HA H 49 3.364 3.364 3.656 -0.292 19367 3356 1 8 . 1 1 49 49 VAL CA C 49 66.354 66.354 65.147 1.207 19367 3357 1 8 . 1 1 49 49 VAL CB C 49 30.961 30.961 31.564 -0.603 19367 3358 1 8 . 1 1 49 49 VAL H H 49 7.600 7.600 7.735 -0.135 19367 3359 1 8 . 1 1 50 50 VAL N N 50 119.961 119.961 120.089 -0.128 19367 3360 1 8 . 1 1 50 50 VAL HA H 50 3.176 3.176 3.457 -0.281 19367 3361 1 8 . 1 1 50 50 VAL CA C 50 67.270 67.270 66.762 0.508 19367 3362 1 8 . 1 1 50 50 VAL CB C 50 31.662 31.662 31.447 0.215 19367 3363 1 8 . 1 1 50 50 VAL H H 50 8.567 8.567 8.511 0.056 19367 3364 1 8 . 1 1 51 51 GLN N N 51 116.203 116.203 118.019 -1.816 19367 3365 1 8 . 1 1 51 51 GLN HA H 51 4.204 4.204 4.218 -0.014 19367 3366 1 8 . 1 1 51 51 GLN CA C 51 59.334 59.334 58.692 0.642 19367 3367 1 8 . 1 1 51 51 GLN CB C 51 28.717 28.717 28.538 0.179 19367 3368 1 8 . 1 1 51 51 GLN H H 51 7.802 7.802 7.777 0.025 19367 3369 1 8 . 1 1 52 52 GLU N N 52 119.616 119.616 119.962 -0.346 19367 3370 1 8 . 1 1 52 52 GLU HA H 52 4.085 4.085 4.208 -0.123 19367 3371 1 8 . 1 1 52 52 GLU CA C 52 59.267 59.267 58.043 1.224 19367 3372 1 8 . 1 1 52 52 GLU CB C 52 29.178 29.178 29.615 -0.437 19367 3373 1 8 . 1 1 52 52 GLU H H 52 7.880 7.880 7.691 0.189 19367 3374 1 8 . 1 1 53 53 ALA N N 53 120.964 120.964 122.349 -1.385 19367 3375 1 8 . 1 1 53 53 ALA HA H 53 3.713 3.713 4.131 -0.418 19367 3376 1 8 . 1 1 53 53 ALA CA C 53 55.176 55.176 54.294 0.882 19367 3377 1 8 . 1 1 53 53 ALA CB C 53 16.573 16.573 18.448 -1.875 19367 3378 1 8 . 1 1 53 53 ALA H H 53 8.381 8.381 7.413 0.968 19367 3379 1 8 . 1 1 54 54 PHE N N 54 113.370 113.370 117.297 -3.927 19367 3380 1 8 . 1 1 54 54 PHE HA H 54 4.329 4.329 4.550 -0.221 19367 3381 1 8 . 1 1 54 54 PHE CA C 54 63.496 63.496 61.131 2.365 19367 3382 1 8 . 1 1 54 54 PHE CB C 54 39.097 39.097 39.223 -0.126 19367 3383 1 8 . 1 1 54 54 PHE H H 54 7.942 7.942 8.016 -0.074 19367 3384 1 8 . 1 1 55 55 ILE N N 55 121.983 121.983 119.593 2.390 19367 3385 1 8 . 1 1 55 55 ILE HA H 55 3.946 3.946 3.970 -0.024 19367 3386 1 8 . 1 1 55 55 ILE CA C 55 64.969 64.969 62.722 2.247 19367 3387 1 8 . 1 1 55 55 ILE CB C 55 37.589 37.589 37.491 0.098 19367 3388 1 8 . 1 1 55 55 ILE H H 55 8.373 8.373 7.776 0.597 19367 3389 1 8 . 1 1 56 56 LYS N N 56 120.661 120.661 120.818 -0.157 19367 3390 1 8 . 1 1 56 56 LYS HA H 56 3.860 3.860 4.136 -0.276 19367 3391 1 8 . 1 1 56 56 LYS CA C 56 59.835 59.835 58.553 1.282 19367 3392 1 8 . 1 1 56 56 LYS CB C 56 31.904 31.904 31.980 -0.076 19367 3393 1 8 . 1 1 56 56 LYS H H 56 8.318 8.318 7.687 0.631 19367 3394 1 8 . 1 1 57 57 ALA N N 57 119.884 119.884 121.849 -1.965 19367 3395 1 8 . 1 1 57 57 ALA HA H 57 3.784 3.784 4.245 -0.461 19367 3396 1 8 . 1 1 57 57 ALA CA C 57 54.552 54.552 54.659 -0.107 19367 3397 1 8 . 1 1 57 57 ALA CB C 57 18.251 18.251 18.475 -0.224 19367 3398 1 8 . 1 1 57 57 ALA H H 57 7.937 7.937 7.529 0.408 19367 3399 1 8 . 1 1 58 58 TYR N N 58 116.541 116.541 119.945 -3.404 19367 3400 1 8 . 1 1 58 58 TYR HA H 58 3.549 3.549 3.672 -0.123 19367 3401 1 8 . 1 1 58 58 TYR CA C 58 61.528 61.528 61.133 0.395 19367 3402 1 8 . 1 1 58 58 TYR CB C 58 37.885 37.885 38.395 -0.510 19367 3403 1 8 . 1 1 58 58 TYR H H 58 8.404 8.404 8.068 0.336 19367 3404 1 8 . 1 1 59 59 ARG N N 59 116.321 116.321 116.555 -0.234 19367 3405 1 8 . 1 1 59 59 ARG HA H 59 3.791 3.791 4.141 -0.350 19367 3406 1 8 . 1 1 59 59 ARG CA C 59 58.500 58.500 56.963 1.537 19367 3407 1 8 . 1 1 59 59 ARG CB C 59 30.268 30.268 30.336 -0.068 19367 3408 1 8 . 1 1 59 59 ARG H H 59 8.404 8.404 7.765 0.639 19367 3409 1 8 . 1 1 60 60 ALA N N 60 118.867 118.867 120.704 -1.837 19367 3410 1 8 . 1 1 60 60 ALA HA H 60 4.879 4.879 4.537 0.342 19367 3411 1 8 . 1 1 60 60 ALA CA C 60 51.372 51.372 52.139 -0.767 19367 3412 1 8 . 1 1 60 60 ALA CB C 60 20.539 20.539 19.790 0.749 19367 3413 1 8 . 1 1 60 60 ALA H H 60 7.630 7.630 7.467 0.163 19367 3414 1 8 . 1 1 61 61 LEU N N 61 124.902 124.902 120.805 4.097 19367 3415 1 8 . 1 1 61 61 LEU HA H 61 4.094 4.094 4.109 -0.015 19367 3416 1 8 . 1 1 61 61 LEU CA C 61 58.442 58.442 57.263 1.179 19367 3417 1 8 . 1 1 61 61 LEU CB C 61 42.290 42.290 42.123 0.167 19367 3418 1 8 . 1 1 61 61 LEU H H 61 7.598 7.598 8.170 -0.572 19367 3419 1 8 . 1 1 62 62 ASP N N 62 117.094 117.094 118.677 -1.583 19367 3420 1 8 . 1 1 62 62 ASP HA H 62 4.345 4.345 4.492 -0.147 19367 3421 1 8 . 1 1 62 62 ASP CA C 62 56.690 56.690 55.926 0.764 19367 3422 1 8 . 1 1 62 62 ASP CB C 62 39.812 39.812 40.562 -0.750 19367 3423 1 8 . 1 1 62 62 ASP H H 62 8.686 8.686 8.796 -0.110 19367 3424 1 8 . 1 1 63 63 SER N N 63 112.854 112.854 114.162 -1.308 19367 3425 1 8 . 1 1 63 63 SER HA H 63 4.554 4.554 4.478 0.076 19367 3426 1 8 . 1 1 63 63 SER CA C 63 58.052 58.052 57.355 0.697 19367 3427 1 8 . 1 1 63 63 SER CB C 63 64.719 64.719 64.483 0.236 19367 3428 1 8 . 1 1 63 63 SER H H 63 7.969 7.969 7.460 0.509 19367 3429 1 8 . 1 1 64 64 PHE N N 64 125.623 125.623 124.030 1.593 19367 3430 1 8 . 1 1 64 64 PHE HA H 64 4.238 4.238 3.938 0.300 19367 3431 1 8 . 1 1 64 64 PHE CA C 64 56.826 56.826 58.529 -1.703 19367 3432 1 8 . 1 1 64 64 PHE CB C 64 38.210 38.210 39.398 -1.188 19367 3433 1 8 . 1 1 64 64 PHE H H 64 7.383 7.383 7.370 0.013 19367 3434 1 8 . 1 1 65 65 ARG N N 65 133.273 133.273 126.242 7.031 19367 3435 1 8 . 1 1 65 65 ARG HA H 65 3.861 3.861 4.137 -0.276 19367 3436 1 8 . 1 1 65 65 ARG CA C 65 57.826 57.826 55.834 1.992 19367 3437 1 8 . 1 1 65 65 ARG CB C 65 31.054 31.054 30.400 0.654 19367 3438 1 8 . 1 1 65 65 ARG H H 65 10.968 10.968 7.919 3.049 19367 3439 1 8 . 1 1 66 66 GLY N N 66 103.283 103.283 108.360 -5.077 19367 3440 1 8 . 1 1 66 66 GLY CA C 66 46.309 46.309 44.565 1.744 19367 3441 1 8 . 1 1 66 66 GLY H H 66 5.673 5.673 6.586 -0.913 19367 3442 1 8 . 1 1 67 67 ASP N N 67 120.001 120.001 118.375 1.626 19367 3443 1 8 . 1 1 67 67 ASP HA H 67 4.551 4.551 4.505 0.046 19367 3444 1 8 . 1 1 67 67 ASP CA C 67 55.488 55.488 54.972 0.516 19367 3445 1 8 . 1 1 67 67 ASP CB C 67 40.655 40.655 41.023 -0.368 19367 3446 1 8 . 1 1 67 67 ASP H H 67 7.960 7.960 8.165 -0.205 19367 3447 1 8 . 1 1 68 68 SER N N 68 110.787 110.787 112.168 -1.381 19367 3448 1 8 . 1 1 68 68 SER HA H 68 4.633 4.633 4.648 -0.015 19367 3449 1 8 . 1 1 68 68 SER CA C 68 56.762 56.762 57.569 -0.807 19367 3450 1 8 . 1 1 68 68 SER CB C 68 67.439 67.439 64.996 2.442 19367 3451 1 8 . 1 1 68 68 SER H H 68 7.692 7.692 7.401 0.291 19367 3452 1 8 . 1 1 69 69 ALA N N 69 122.464 122.464 124.107 -1.643 19367 3453 1 8 . 1 1 69 69 ALA HA H 69 4.692 4.692 4.414 0.278 19367 3454 1 8 . 1 1 69 69 ALA CA C 69 52.674 52.674 52.739 -0.065 19367 3455 1 8 . 1 1 69 69 ALA CB C 69 18.751 18.751 19.548 -0.797 19367 3456 1 8 . 1 1 69 69 ALA H H 69 9.726 9.726 8.665 1.061 19367 3457 1 8 . 1 1 70 70 PHE N N 70 127.188 127.188 122.190 4.998 19367 3458 1 8 . 1 1 70 70 PHE HA H 70 4.085 4.085 4.105 -0.020 19367 3459 1 8 . 1 1 70 70 PHE CA C 70 62.108 62.108 61.228 0.880 19367 3460 1 8 . 1 1 70 70 PHE CB C 70 39.054 39.054 39.735 -0.681 19367 3461 1 8 . 1 1 70 70 PHE H H 70 9.774 9.774 8.630 1.144 19367 3462 1 8 . 1 1 71 71 TYR N N 71 117.533 117.533 118.294 -0.761 19367 3463 1 8 . 1 1 71 71 TYR HA H 71 3.449 3.449 3.845 -0.396 19367 3464 1 8 . 1 1 71 71 TYR CA C 71 61.684 61.684 60.627 1.056 19367 3465 1 8 . 1 1 71 71 TYR CB C 71 37.072 37.072 37.816 -0.744 19367 3466 1 8 . 1 1 71 71 TYR H H 71 9.720 9.720 8.740 0.980 19367 3467 1 8 . 1 1 72 72 THR N N 72 114.574 114.574 116.911 -2.337 19367 3468 1 8 . 1 1 72 72 THR HA H 72 5.436 5.436 3.858 1.578 19367 3469 1 8 . 1 1 72 72 THR CA C 72 63.426 63.426 66.441 -3.015 19367 3470 1 8 . 1 1 72 72 THR CB C 72 68.762 68.762 68.474 0.288 19367 3471 1 8 . 1 1 72 72 THR H H 72 6.675 6.675 7.737 -1.062 19367 3472 1 8 . 1 1 73 73 TRP N N 73 123.561 123.561 122.815 0.746 19367 3473 1 8 . 1 1 73 73 TRP HA H 73 3.956 3.956 4.503 -0.547 19367 3474 1 8 . 1 1 73 73 TRP CA C 73 62.112 62.112 60.037 2.075 19367 3475 1 8 . 1 1 73 73 TRP CB C 73 28.971 28.971 29.495 -0.524 19367 3476 1 8 . 1 1 73 73 TRP H H 73 6.924 6.924 7.429 -0.505 19367 3477 1 8 . 1 1 74 74 LEU N N 74 118.760 118.760 121.840 -3.080 19367 3478 1 8 . 1 1 74 74 LEU HA H 74 2.960 2.960 3.372 -0.412 19367 3479 1 8 . 1 1 74 74 LEU CA C 74 57.105 57.105 56.944 0.161 19367 3480 1 8 . 1 1 74 74 LEU CB C 74 41.503 41.503 41.391 0.112 19367 3481 1 8 . 1 1 74 74 LEU H H 74 7.903 7.903 7.529 0.374 19367 3482 1 8 . 1 1 75 75 TYR N N 75 119.616 119.616 118.663 0.953 19367 3483 1 8 . 1 1 75 75 TYR HA H 75 2.928 2.928 3.741 -0.813 19367 3484 1 8 . 1 1 75 75 TYR CA C 75 60.187 60.187 61.297 -1.110 19367 3485 1 8 . 1 1 75 75 TYR CB C 75 37.987 37.987 37.962 0.025 19367 3486 1 8 . 1 1 75 75 TYR H H 75 8.717 8.717 8.207 0.510 19367 3487 1 8 . 1 1 76 76 ARG N N 76 116.789 116.789 119.431 -2.642 19367 3488 1 8 . 1 1 76 76 ARG HA H 76 3.634 3.634 4.031 -0.397 19367 3489 1 8 . 1 1 76 76 ARG CA C 76 56.003 56.003 58.307 -2.304 19367 3490 1 8 . 1 1 76 76 ARG CB C 76 27.476 27.476 29.246 -1.770 19367 3491 1 8 . 1 1 76 76 ARG H H 76 6.809 6.809 7.405 -0.596 19367 3492 1 8 . 1 1 77 77 ILE N N 77 117.721 117.721 119.176 -1.455 19367 3493 1 8 . 1 1 77 77 ILE HA H 77 2.853 2.853 3.573 -0.720 19367 3494 1 8 . 1 1 77 77 ILE CA C 77 65.599 65.599 64.364 1.235 19367 3495 1 8 . 1 1 77 77 ILE CB C 77 36.937 36.937 37.454 -0.517 19367 3496 1 8 . 1 1 77 77 ILE H H 77 7.316 7.316 7.133 0.183 19367 3497 1 8 . 1 1 78 78 ALA N N 78 125.528 125.528 123.285 2.243 19367 3498 1 8 . 1 1 78 78 ALA HA H 78 3.369 3.369 3.858 -0.489 19367 3499 1 8 . 1 1 78 78 ALA CA C 78 55.876 55.876 54.821 1.055 19367 3500 1 8 . 1 1 78 78 ALA CB C 78 17.833 17.833 18.201 -0.368 19367 3501 1 8 . 1 1 78 78 ALA H H 78 8.788 8.788 8.080 0.708 19367 3502 1 8 . 1 1 79 79 VAL N N 79 117.392 117.392 117.872 -0.480 19367 3503 1 8 . 1 1 79 79 VAL HA H 79 2.819 2.819 3.509 -0.690 19367 3504 1 8 . 1 1 79 79 VAL CA C 79 67.174 67.174 64.851 2.323 19367 3505 1 8 . 1 1 79 79 VAL CB C 79 31.642 31.642 31.990 -0.348 19367 3506 1 8 . 1 1 79 79 VAL H H 79 8.046 8.046 7.810 0.236 19367 3507 1 8 . 1 1 80 80 ASN N N 80 117.152 117.152 117.123 0.029 19367 3508 1 8 . 1 1 80 80 ASN HA H 80 4.368 4.368 4.513 -0.145 19367 3509 1 8 . 1 1 80 80 ASN CA C 80 55.630 55.630 55.323 0.307 19367 3510 1 8 . 1 1 80 80 ASN CB C 80 36.752 36.752 38.409 -1.657 19367 3511 1 8 . 1 1 80 80 ASN H H 80 8.146 8.146 7.521 0.625 19367 3512 1 8 . 1 1 81 81 THR N N 81 119.140 119.140 117.460 1.680 19367 3513 1 8 . 1 1 81 81 THR HA H 81 3.795 3.795 4.091 -0.296 19367 3514 1 8 . 1 1 81 81 THR CA C 81 67.441 67.441 66.094 1.347 19367 3515 1 8 . 1 1 81 81 THR CB C 81 68.102 68.102 68.883 -0.781 19367 3516 1 8 . 1 1 81 81 THR H H 81 8.320 8.320 7.787 0.533 19367 3517 1 8 . 1 1 82 82 ALA N N 82 124.957 124.957 123.038 1.919 19367 3518 1 8 . 1 1 82 82 ALA HA H 82 3.789 3.789 4.058 -0.269 19367 3519 1 8 . 1 1 82 82 ALA CA C 82 55.415 55.415 54.831 0.584 19367 3520 1 8 . 1 1 82 82 ALA CB C 82 18.020 18.020 18.379 -0.359 19367 3521 1 8 . 1 1 82 82 ALA H H 82 8.037 8.037 7.728 0.309 19367 3522 1 8 . 1 1 83 83 LYS N N 83 116.190 116.190 117.013 -0.823 19367 3523 1 8 . 1 1 83 83 LYS HA H 83 3.815 3.815 4.006 -0.191 19367 3524 1 8 . 1 1 83 83 LYS CA C 83 60.160 60.160 58.776 1.384 19367 3525 1 8 . 1 1 83 83 LYS CB C 83 32.312 32.312 32.423 -0.111 19367 3526 1 8 . 1 1 83 83 LYS H H 83 8.314 8.314 7.554 0.760 19367 3527 1 8 . 1 1 84 84 ASN N N 84 117.083 117.083 117.814 -0.731 19367 3528 1 8 . 1 1 84 84 ASN HA H 84 4.486 4.486 4.492 -0.006 19367 3529 1 8 . 1 1 84 84 ASN CA C 84 55.213 55.213 54.900 0.313 19367 3530 1 8 . 1 1 84 84 ASN CB C 84 38.461 38.461 38.443 0.018 19367 3531 1 8 . 1 1 84 84 ASN H H 84 8.004 8.004 7.649 0.355 19367 3532 1 8 . 1 1 85 85 TYR N N 85 122.935 122.935 121.064 1.871 19367 3533 1 8 . 1 1 85 85 TYR HA H 85 4.147 4.147 4.273 -0.126 19367 3534 1 8 . 1 1 85 85 TYR CA C 85 61.408 61.408 61.267 0.141 19367 3535 1 8 . 1 1 85 85 TYR CB C 85 38.428 38.428 38.645 -0.217 19367 3536 1 8 . 1 1 85 85 TYR H H 85 7.935 7.935 7.593 0.342 19367 3537 1 8 . 1 1 86 86 LEU N N 86 119.119 119.119 117.497 1.622 19367 3538 1 8 . 1 1 86 86 LEU HA H 86 3.998 3.998 3.915 0.083 19367 3539 1 8 . 1 1 86 86 LEU CA C 86 57.647 57.647 57.344 0.303 19367 3540 1 8 . 1 1 86 86 LEU CB C 86 41.906 41.906 42.087 -0.181 19367 3541 1 8 . 1 1 86 86 LEU H H 86 7.810 7.810 7.554 0.256 19367 3542 1 8 . 1 1 87 87 VAL N N 87 118.991 118.991 112.707 6.284 19367 3543 1 8 . 1 1 87 87 VAL HA H 87 3.806 3.806 4.028 -0.222 19367 3544 1 8 . 1 1 87 87 VAL CA C 87 64.989 64.989 63.987 1.002 19367 3545 1 8 . 1 1 87 87 VAL CB C 87 32.126 32.126 31.599 0.527 19367 3546 1 8 . 1 1 87 87 VAL H H 87 7.701 7.701 7.306 0.395 19367 3547 1 8 . 1 1 88 88 ALA N N 88 123.643 123.643 121.962 1.681 19367 3548 1 8 . 1 1 88 88 ALA HA H 88 4.088 4.088 4.192 -0.104 19367 3549 1 8 . 1 1 88 88 ALA CA C 88 54.188 54.188 54.041 0.147 19367 3550 1 8 . 1 1 88 88 ALA CB C 88 18.460 18.460 18.852 -0.392 19367 3551 1 8 . 1 1 88 88 ALA H H 88 7.978 7.978 7.633 0.345 19367 3552 1 8 . 1 1 89 89 GLN N N 89 116.659 116.659 117.011 -0.352 19367 3553 1 8 . 1 1 89 89 GLN HA H 89 4.024 4.024 4.309 -0.285 19367 3554 1 8 . 1 1 89 89 GLN CA C 89 56.818 56.818 55.967 0.851 19367 3555 1 8 . 1 1 89 89 GLN CB C 89 28.776 28.776 29.350 -0.574 19367 3556 1 8 . 1 1 89 89 GLN H H 89 7.974 7.974 8.001 -0.027 19367 3557 1 8 . 1 1 90 90 GLY N N 90 107.464 107.464 108.460 -0.996 19367 3558 1 8 . 1 1 90 90 GLY CA C 90 45.782 45.782 45.187 0.595 19367 3559 1 8 . 1 1 90 90 GLY H H 90 7.967 7.967 8.111 -0.144 19367 3560 1 8 . 1 1 91 91 ARG N N 91 119.736 119.736 116.899 2.837 19367 3561 1 8 . 1 1 91 91 ARG HA H 91 4.299 4.299 4.623 -0.324 19367 3562 1 8 . 1 1 91 91 ARG CA C 91 56.216 56.216 55.079 1.137 19367 3563 1 8 . 1 1 91 91 ARG CB C 91 30.805 30.805 32.311 -1.506 19367 3564 1 8 . 1 1 91 91 ARG H H 91 7.824 7.824 7.470 0.354 19367 3565 1 8 . 1 1 92 92 ARG N N 92 120.592 120.592 122.186 -1.594 19367 3566 1 8 . 1 1 92 92 ARG HA H 92 4.270 4.270 4.433 -0.163 19367 3567 1 8 . 1 1 92 92 ARG CA C 92 56.451 56.451 55.726 0.725 19367 3568 1 8 . 1 1 92 92 ARG CB C 92 30.658 30.658 32.428 -1.770 19367 3569 1 8 . 1 1 92 92 ARG H H 92 8.038 8.038 8.403 -0.365 19367 3570 1 8 . 1 1 93 93 LEU N N 93 122.274 122.274 123.541 -1.267 19367 3571 1 8 . 1 1 93 93 LEU HA H 93 4.258 4.258 4.089 0.169 19367 3572 1 8 . 1 1 93 93 LEU CA C 93 55.463 55.463 55.687 -0.224 19367 3573 1 8 . 1 1 93 93 LEU CB C 93 42.203 42.203 41.844 0.359 19367 3574 1 8 . 1 1 93 93 LEU H H 93 8.147 8.147 8.501 -0.354 19367 3575 1 8 . 1 1 94 94 GLU N N 94 120.794 120.794 118.415 2.379 19367 3576 1 8 . 1 1 94 94 GLU HA H 94 4.249 4.249 4.565 -0.316 19367 3577 1 8 . 1 1 94 94 GLU CA C 94 56.557 56.557 55.654 0.903 19367 3578 1 8 . 1 1 94 94 GLU CB C 94 30.103 30.103 31.151 -1.048 19367 3579 1 8 . 1 1 94 94 GLU H H 94 8.241 8.241 8.051 0.190 19367 3580 1 8 . 1 1 95 95 LEU N N 95 122.290 122.290 126.158 -3.868 19367 3581 1 8 . 1 1 95 95 LEU HA H 95 4.312 4.312 4.608 -0.296 19367 3582 1 8 . 1 1 95 95 LEU CA C 95 55.080 55.080 54.419 0.661 19367 3583 1 8 . 1 1 95 95 LEU CB C 95 42.130 42.130 42.519 -0.389 19367 3584 1 8 . 1 1 95 95 LEU H H 95 8.068 8.068 8.538 -0.470 19367 3585 1 9 . 1 1 4 4 GLN N N 4 121.848 121.848 114.320 7.528 19367 3586 1 9 . 1 1 4 4 GLN HA H 4 4.307 4.307 4.024 0.283 19367 3587 1 9 . 1 1 4 4 GLN CA C 4 55.724 55.724 57.109 -1.385 19367 3588 1 9 . 1 1 4 4 GLN CB C 4 29.297 29.297 26.858 2.439 19367 3589 1 9 . 1 1 4 4 GLN H H 4 8.500 8.500 8.463 0.037 19367 3590 1 9 . 1 1 5 5 LEU N N 5 124.347 124.347 116.639 7.708 19367 3591 1 9 . 1 1 5 5 LEU HA H 5 4.548 4.548 4.662 -0.114 19367 3592 1 9 . 1 1 5 5 LEU CA C 5 53.785 53.785 54.907 -1.122 19367 3593 1 9 . 1 1 5 5 LEU CB C 5 41.886 41.886 42.649 -0.763 19367 3594 1 9 . 1 1 5 5 LEU H H 5 8.565 8.565 7.913 0.652 19367 3595 1 9 . 1 1 6 6 THR N N 6 114.442 114.442 111.814 2.628 19367 3596 1 9 . 1 1 6 6 THR HA H 6 4.353 4.353 4.243 0.110 19367 3597 1 9 . 1 1 6 6 THR CA C 6 61.195 61.195 61.636 -0.441 19367 3598 1 9 . 1 1 6 6 THR CB C 6 70.541 70.541 69.834 0.707 19367 3599 1 9 . 1 1 6 6 THR H H 6 7.950 7.950 7.635 0.315 19367 3600 1 9 . 1 1 7 7 ASP N N 7 120.959 120.959 118.393 2.566 19367 3601 1 9 . 1 1 7 7 ASP HA H 7 4.197 4.197 4.275 -0.078 19367 3602 1 9 . 1 1 7 7 ASP CA C 7 57.820 57.820 57.059 0.761 19367 3603 1 9 . 1 1 7 7 ASP CB C 7 39.621 39.621 40.056 -0.435 19367 3604 1 9 . 1 1 7 7 ASP H H 7 9.008 9.008 9.002 0.006 19367 3605 1 9 . 1 1 8 8 GLN N N 8 116.649 116.649 119.936 -3.287 19367 3606 1 9 . 1 1 8 8 GLN HA H 8 4.012 4.012 4.181 -0.169 19367 3607 1 9 . 1 1 8 8 GLN CA C 8 59.746 59.746 58.635 1.111 19367 3608 1 9 . 1 1 8 8 GLN CB C 8 28.188 28.188 29.046 -0.858 19367 3609 1 9 . 1 1 8 8 GLN H H 8 8.561 8.561 7.587 0.974 19367 3610 1 9 . 1 1 9 9 VAL N N 9 120.579 120.579 119.433 1.146 19367 3611 1 9 . 1 1 9 9 VAL HA H 9 3.760 3.760 4.203 -0.443 19367 3612 1 9 . 1 1 9 9 VAL CA C 9 66.108 66.108 63.806 2.302 19367 3613 1 9 . 1 1 9 9 VAL CB C 9 31.558 31.558 31.413 0.145 19367 3614 1 9 . 1 1 9 9 VAL H H 9 7.450 7.450 7.777 -0.327 19367 3615 1 9 . 1 1 10 10 LEU N N 10 119.806 119.806 121.598 -1.792 19367 3616 1 9 . 1 1 10 10 LEU HA H 10 3.917 3.917 4.197 -0.280 19367 3617 1 9 . 1 1 10 10 LEU CA C 10 58.415 58.415 57.471 0.944 19367 3618 1 9 . 1 1 10 10 LEU CB C 10 41.299 41.299 42.100 -0.801 19367 3619 1 9 . 1 1 10 10 LEU H H 10 7.865 7.865 7.498 0.367 19367 3620 1 9 . 1 1 11 11 VAL N N 11 119.041 119.041 118.370 0.671 19367 3621 1 9 . 1 1 11 11 VAL HA H 11 3.280 3.280 3.472 -0.192 19367 3622 1 9 . 1 1 11 11 VAL CA C 11 67.631 67.631 66.701 0.930 19367 3623 1 9 . 1 1 11 11 VAL CB C 11 31.723 31.723 31.643 0.080 19367 3624 1 9 . 1 1 11 11 VAL H H 11 8.734 8.734 8.058 0.676 19367 3625 1 9 . 1 1 12 12 GLU N N 12 119.018 119.018 118.096 0.922 19367 3626 1 9 . 1 1 12 12 GLU HA H 12 4.110 4.110 4.091 0.019 19367 3627 1 9 . 1 1 12 12 GLU CA C 12 59.514 59.514 58.559 0.955 19367 3628 1 9 . 1 1 12 12 GLU CB C 12 28.603 28.603 28.887 -0.284 19367 3629 1 9 . 1 1 12 12 GLU H H 12 7.802 7.802 7.734 0.068 19367 3630 1 9 . 1 1 13 13 ARG N N 13 117.242 117.242 120.240 -2.998 19367 3631 1 9 . 1 1 13 13 ARG HA H 13 4.011 4.011 4.160 -0.149 19367 3632 1 9 . 1 1 13 13 ARG CA C 13 60.016 60.016 58.942 1.074 19367 3633 1 9 . 1 1 13 13 ARG CB C 13 27.737 27.737 30.237 -2.500 19367 3634 1 9 . 1 1 13 13 ARG H H 13 8.107 8.107 7.510 0.597 19367 3635 1 9 . 1 1 14 14 VAL N N 14 121.430 121.430 119.281 2.149 19367 3636 1 9 . 1 1 14 14 VAL HA H 14 3.767 3.767 4.136 -0.369 19367 3637 1 9 . 1 1 14 14 VAL CA C 14 66.462 66.462 65.667 0.795 19367 3638 1 9 . 1 1 14 14 VAL CB C 14 31.616 31.616 31.926 -0.310 19367 3639 1 9 . 1 1 14 14 VAL H H 14 8.435 8.435 7.517 0.918 19367 3640 1 9 . 1 1 15 15 GLN N N 15 120.667 120.667 119.176 1.491 19367 3641 1 9 . 1 1 15 15 GLN HA H 15 4.088 4.088 4.301 -0.213 19367 3642 1 9 . 1 1 15 15 GLN CA C 15 58.628 58.628 57.876 0.752 19367 3643 1 9 . 1 1 15 15 GLN CB C 15 27.995 27.995 28.642 -0.647 19367 3644 1 9 . 1 1 15 15 GLN H H 15 8.670 8.670 7.577 1.093 19367 3645 1 9 . 1 1 16 16 LYS N N 16 116.797 116.797 117.506 -0.709 19367 3646 1 9 . 1 1 16 16 LYS HA H 16 4.374 4.374 4.288 0.086 19367 3647 1 9 . 1 1 16 16 LYS CA C 16 56.278 56.278 56.138 0.140 19367 3648 1 9 . 1 1 16 16 LYS CB C 16 32.299 32.299 32.128 0.171 19367 3649 1 9 . 1 1 16 16 LYS H H 16 7.700 7.700 7.463 0.237 19367 3650 1 9 . 1 1 17 17 GLY N N 17 107.001 107.001 108.032 -1.031 19367 3651 1 9 . 1 1 17 17 GLY CA C 17 45.608 45.608 44.935 0.673 19367 3652 1 9 . 1 1 17 17 GLY H H 17 7.927 7.927 7.782 0.145 19367 3653 1 9 . 1 1 18 18 ASP N N 18 121.666 121.666 121.737 -0.071 19367 3654 1 9 . 1 1 18 18 ASP HA H 18 4.769 4.769 4.729 0.040 19367 3655 1 9 . 1 1 18 18 ASP CA C 18 52.999 52.999 53.903 -0.904 19367 3656 1 9 . 1 1 18 18 ASP CB C 18 40.814 40.814 41.390 -0.576 19367 3657 1 9 . 1 1 18 18 ASP H H 18 8.255 8.255 7.592 0.663 19367 3658 1 9 . 1 1 19 19 GLN N N 19 124.874 124.874 125.682 -0.808 19367 3659 1 9 . 1 1 19 19 GLN HA H 19 4.150 4.150 4.391 -0.241 19367 3660 1 9 . 1 1 19 19 GLN CA C 19 58.922 58.922 58.159 0.763 19367 3661 1 9 . 1 1 19 19 GLN CB C 19 28.759 28.759 29.040 -0.281 19367 3662 1 9 . 1 1 19 19 GLN H H 19 8.392 8.392 8.717 -0.325 19367 3663 1 9 . 1 1 20 20 LYS N N 20 119.006 119.006 119.022 -0.016 19367 3664 1 9 . 1 1 20 20 LYS HA H 20 4.118 4.118 4.176 -0.058 19367 3665 1 9 . 1 1 20 20 LYS CA C 20 58.642 58.642 58.165 0.477 19367 3666 1 9 . 1 1 20 20 LYS CB C 20 31.678 31.678 32.100 -0.422 19367 3667 1 9 . 1 1 20 20 LYS H H 20 8.348 8.348 8.137 0.211 19367 3668 1 9 . 1 1 21 21 ALA N N 21 121.687 121.687 122.084 -0.397 19367 3669 1 9 . 1 1 21 21 ALA HA H 21 4.010 4.010 4.157 -0.147 19367 3670 1 9 . 1 1 21 21 ALA CA C 21 54.485 54.485 54.921 -0.436 19367 3671 1 9 . 1 1 21 21 ALA CB C 21 18.634 18.634 18.278 0.356 19367 3672 1 9 . 1 1 21 21 ALA H H 21 7.500 7.500 8.320 -0.821 19367 3673 1 9 . 1 1 22 22 PHE N N 22 117.219 117.219 118.323 -1.104 19367 3674 1 9 . 1 1 22 22 PHE HA H 22 3.994 3.994 4.301 -0.307 19367 3675 1 9 . 1 1 22 22 PHE CA C 22 61.907 61.907 60.655 1.252 19367 3676 1 9 . 1 1 22 22 PHE CB C 22 38.571 38.571 39.720 -1.149 19367 3677 1 9 . 1 1 22 22 PHE H H 22 7.810 7.810 7.538 0.272 19367 3678 1 9 . 1 1 23 23 ASN N N 23 115.600 115.600 119.081 -3.481 19367 3679 1 9 . 1 1 23 23 ASN HA H 23 4.163 4.163 4.357 -0.194 19367 3680 1 9 . 1 1 23 23 ASN CA C 23 56.264 56.264 56.462 -0.198 19367 3681 1 9 . 1 1 23 23 ASN CB C 23 38.131 38.131 38.472 -0.341 19367 3682 1 9 . 1 1 23 23 ASN H H 23 7.711 7.711 7.765 -0.054 19367 3683 1 9 . 1 1 24 24 LEU N N 24 117.605 117.605 119.573 -1.968 19367 3684 1 9 . 1 1 24 24 LEU HA H 24 3.999 3.999 4.118 -0.119 19367 3685 1 9 . 1 1 24 24 LEU CA C 24 57.811 57.811 57.252 0.559 19367 3686 1 9 . 1 1 24 24 LEU CB C 24 41.367 41.367 41.019 0.348 19367 3687 1 9 . 1 1 24 24 LEU H H 24 7.344 7.344 7.602 -0.258 19367 3688 1 9 . 1 1 25 25 LEU N N 25 120.426 120.426 120.563 -0.137 19367 3689 1 9 . 1 1 25 25 LEU HA H 25 3.938 3.938 4.046 -0.108 19367 3690 1 9 . 1 1 25 25 LEU CA C 25 57.863 57.863 57.614 0.249 19367 3691 1 9 . 1 1 25 25 LEU CB C 25 41.479 41.479 41.512 -0.033 19367 3692 1 9 . 1 1 25 25 LEU H H 25 7.036 7.036 7.229 -0.193 19367 3693 1 9 . 1 1 26 26 VAL N N 26 119.676 119.676 119.182 0.494 19367 3694 1 9 . 1 1 26 26 VAL HA H 26 2.857 2.857 2.819 0.038 19367 3695 1 9 . 1 1 26 26 VAL CA C 26 65.821 65.821 66.544 -0.723 19367 3696 1 9 . 1 1 26 26 VAL CB C 26 30.816 30.816 30.931 -0.115 19367 3697 1 9 . 1 1 26 26 VAL H H 26 7.369 7.369 7.605 -0.236 19367 3698 1 9 . 1 1 27 27 VAL N N 27 117.098 117.098 118.026 -0.928 19367 3699 1 9 . 1 1 27 27 VAL HA H 27 3.542 3.542 3.613 -0.071 19367 3700 1 9 . 1 1 27 27 VAL CA C 27 65.837 65.837 65.662 0.174 19367 3701 1 9 . 1 1 27 27 VAL CB C 27 31.728 31.728 31.295 0.433 19367 3702 1 9 . 1 1 27 27 VAL H H 27 7.816 7.816 7.353 0.463 19367 3703 1 9 . 1 1 28 28 ARG N N 28 118.592 118.592 118.415 0.177 19367 3704 1 9 . 1 1 28 28 ARG HA H 28 3.838 3.838 4.010 -0.172 19367 3705 1 9 . 1 1 28 28 ARG CA C 28 59.356 59.356 58.453 0.903 19367 3706 1 9 . 1 1 28 28 ARG CB C 28 31.069 31.069 30.220 0.850 19367 3707 1 9 . 1 1 28 28 ARG H H 28 7.491 7.491 7.388 0.103 19367 3708 1 9 . 1 1 29 29 TYR N N 29 112.635 112.635 116.238 -3.603 19367 3709 1 9 . 1 1 29 29 TYR HA H 29 4.945 4.945 4.881 0.064 19367 3710 1 9 . 1 1 29 29 TYR CA C 29 60.438 60.438 58.082 2.356 19367 3711 1 9 . 1 1 29 29 TYR CB C 29 40.619 40.619 39.956 0.663 19367 3712 1 9 . 1 1 29 29 TYR H H 29 7.675 7.675 7.502 0.173 19367 3713 1 9 . 1 1 30 30 GLN N N 30 123.043 123.043 121.487 1.556 19367 3714 1 9 . 1 1 30 30 GLN HA H 30 4.119 4.119 4.357 -0.238 19367 3715 1 9 . 1 1 30 30 GLN CA C 30 61.409 61.409 59.739 1.670 19367 3716 1 9 . 1 1 30 30 GLN CB C 30 26.933 26.933 28.093 -1.159 19367 3717 1 9 . 1 1 30 30 GLN H H 30 9.056 9.056 8.241 0.815 19367 3718 1 9 . 1 1 31 31 HIS N N 31 118.704 118.704 118.747 -0.043 19367 3719 1 9 . 1 1 31 31 HIS HA H 31 4.435 4.435 4.560 -0.125 19367 3720 1 9 . 1 1 31 31 HIS CA C 31 59.580 59.580 58.626 0.954 19367 3721 1 9 . 1 1 31 31 HIS CB C 31 29.396 29.396 29.972 -0.576 19367 3722 1 9 . 1 1 31 31 HIS H H 31 8.616 8.616 8.560 0.056 19367 3723 1 9 . 1 1 32 32 LYS N N 32 122.594 122.594 119.879 2.715 19367 3724 1 9 . 1 1 32 32 LYS HA H 32 4.029 4.029 4.150 -0.121 19367 3725 1 9 . 1 1 32 32 LYS CA C 32 59.869 59.869 59.332 0.537 19367 3726 1 9 . 1 1 32 32 LYS CB C 32 32.580 32.580 32.494 0.086 19367 3727 1 9 . 1 1 32 32 LYS H H 32 7.848 7.848 7.627 0.221 19367 3728 1 9 . 1 1 33 33 VAL N N 33 119.621 119.621 119.450 0.171 19367 3729 1 9 . 1 1 33 33 VAL HA H 33 3.480 3.480 3.907 -0.427 19367 3730 1 9 . 1 1 33 33 VAL CA C 33 66.671 66.671 64.265 2.406 19367 3731 1 9 . 1 1 33 33 VAL CB C 33 31.142 31.142 31.983 -0.841 19367 3732 1 9 . 1 1 33 33 VAL H H 33 8.653 8.653 8.679 -0.026 19367 3733 1 9 . 1 1 34 34 ALA N N 34 122.622 122.622 121.297 1.325 19367 3734 1 9 . 1 1 34 34 ALA HA H 34 3.736 3.736 4.082 -0.346 19367 3735 1 9 . 1 1 34 34 ALA CA C 34 55.762 55.762 54.940 0.822 19367 3736 1 9 . 1 1 34 34 ALA CB C 34 17.681 17.681 18.114 -0.433 19367 3737 1 9 . 1 1 34 34 ALA H H 34 8.498 8.498 7.720 0.778 19367 3738 1 9 . 1 1 35 35 SER N N 35 113.674 113.674 113.923 -0.249 19367 3739 1 9 . 1 1 35 35 SER HA H 35 4.040 4.040 4.213 -0.173 19367 3740 1 9 . 1 1 35 35 SER CA C 35 61.765 61.765 61.432 0.333 19367 3741 1 9 . 1 1 35 35 SER CB C 35 62.766 62.766 63.108 -0.342 19367 3742 1 9 . 1 1 35 35 SER H H 35 7.897 7.897 7.551 0.346 19367 3743 1 9 . 1 1 36 36 LEU N N 36 123.203 123.203 122.808 0.395 19367 3744 1 9 . 1 1 36 36 LEU HA H 36 3.992 3.992 4.213 -0.221 19367 3745 1 9 . 1 1 36 36 LEU CA C 36 57.863 57.863 57.385 0.478 19367 3746 1 9 . 1 1 36 36 LEU CB C 36 42.718 42.718 41.815 0.903 19367 3747 1 9 . 1 1 36 36 LEU H H 36 7.494 7.494 7.224 0.270 19367 3748 1 9 . 1 1 37 37 VAL N N 37 114.122 114.122 114.664 -0.542 19367 3749 1 9 . 1 1 37 37 VAL HA H 37 3.627 3.627 3.997 -0.370 19367 3750 1 9 . 1 1 37 37 VAL CA C 37 65.879 65.879 65.317 0.562 19367 3751 1 9 . 1 1 37 37 VAL CB C 37 31.214 31.214 31.026 0.188 19367 3752 1 9 . 1 1 37 37 VAL H H 37 8.530 8.530 8.240 0.290 19367 3753 1 9 . 1 1 38 38 SER N N 38 116.259 116.259 115.950 0.309 19367 3754 1 9 . 1 1 38 38 SER HA H 38 4.276 4.276 4.318 -0.042 19367 3755 1 9 . 1 1 38 38 SER CA C 38 60.898 60.898 60.043 0.855 19367 3756 1 9 . 1 1 38 38 SER CB C 38 63.143 63.143 62.836 0.307 19367 3757 1 9 . 1 1 38 38 SER H H 38 8.136 8.136 7.662 0.474 19367 3758 1 9 . 1 1 39 39 ARG N N 39 119.029 119.029 118.436 0.593 19367 3759 1 9 . 1 1 39 39 ARG HA H 39 3.995 3.995 3.950 0.045 19367 3760 1 9 . 1 1 39 39 ARG CA C 39 57.640 57.640 57.610 0.030 19367 3761 1 9 . 1 1 39 39 ARG CB C 39 29.719 29.719 30.140 -0.421 19367 3762 1 9 . 1 1 39 39 ARG H H 39 7.310 7.310 7.275 0.035 19367 3763 1 9 . 1 1 40 40 TYR N N 40 114.123 114.123 115.313 -1.190 19367 3764 1 9 . 1 1 40 40 TYR HA H 40 4.472 4.472 4.676 -0.204 19367 3765 1 9 . 1 1 40 40 TYR CA C 40 59.298 59.298 57.922 1.376 19367 3766 1 9 . 1 1 40 40 TYR CB C 40 42.809 42.809 41.041 1.768 19367 3767 1 9 . 1 1 40 40 TYR H H 40 7.786 7.786 7.730 0.056 19367 3768 1 9 . 1 1 41 41 VAL N N 41 112.721 112.721 114.305 -1.584 19367 3769 1 9 . 1 1 41 41 VAL HA H 41 4.853 4.853 4.719 0.134 19367 3770 1 9 . 1 1 41 41 VAL CA C 41 57.942 57.942 58.247 -0.305 19367 3771 1 9 . 1 1 41 41 VAL CB C 41 33.171 33.171 33.370 -0.199 19367 3772 1 9 . 1 1 41 41 VAL H H 41 7.388 7.388 7.884 -0.496 19367 3773 1 9 . 1 1 42 42 PRO HA H 42 4.415 4.415 4.665 -0.250 19367 3774 1 9 . 1 1 42 42 PRO CA C 42 62.645 62.645 62.674 -0.029 19367 3775 1 9 . 1 1 42 42 PRO CB C 42 32.603 32.603 32.863 -0.260 19367 3776 1 9 . 1 1 43 43 SER N N 43 116.784 116.784 116.398 0.386 19367 3777 1 9 . 1 1 43 43 SER HA H 43 4.009 4.009 4.158 -0.149 19367 3778 1 9 . 1 1 43 43 SER CA C 43 62.098 62.098 60.102 1.996 19367 3779 1 9 . 1 1 43 43 SER CB C 43 62.862 62.862 62.902 -0.040 19367 3780 1 9 . 1 1 43 43 SER H H 43 8.602 8.602 8.622 -0.020 19367 3781 1 9 . 1 1 44 44 GLY N N 44 107.756 107.756 107.998 -0.242 19367 3782 1 9 . 1 1 44 44 GLY CA C 44 46.503 46.503 45.746 0.757 19367 3783 1 9 . 1 1 44 44 GLY H H 44 8.812 8.812 8.208 0.604 19367 3784 1 9 . 1 1 45 45 ASP N N 45 117.822 117.822 119.830 -2.008 19367 3785 1 9 . 1 1 45 45 ASP HA H 45 4.875 4.875 4.805 0.070 19367 3786 1 9 . 1 1 45 45 ASP CA C 45 54.770 54.770 54.031 0.739 19367 3787 1 9 . 1 1 45 45 ASP CB C 45 42.593 42.593 42.279 0.314 19367 3788 1 9 . 1 1 45 45 ASP H H 45 7.764 7.764 8.012 -0.248 19367 3789 1 9 . 1 1 46 46 VAL N N 46 119.385 119.385 121.963 -2.578 19367 3790 1 9 . 1 1 46 46 VAL HA H 46 3.233 3.233 3.735 -0.502 19367 3791 1 9 . 1 1 46 46 VAL CA C 46 68.546 68.546 68.485 0.061 19367 3792 1 9 . 1 1 46 46 VAL CB C 46 29.851 29.851 29.409 0.442 19367 3793 1 9 . 1 1 46 46 VAL H H 46 7.148 7.148 7.517 -0.369 19367 3794 1 9 . 1 1 47 47 PRO HA H 47 4.113 4.113 4.275 -0.162 19367 3795 1 9 . 1 1 47 47 PRO CA C 47 66.527 66.527 65.931 0.596 19367 3796 1 9 . 1 1 47 47 PRO CB C 47 28.496 28.496 31.339 -2.843 19367 3797 1 9 . 1 1 48 48 ASP N N 48 116.654 116.654 118.577 -1.923 19367 3798 1 9 . 1 1 48 48 ASP HA H 48 4.384 4.384 4.513 -0.129 19367 3799 1 9 . 1 1 48 48 ASP CA C 48 57.268 57.268 56.627 0.641 19367 3800 1 9 . 1 1 48 48 ASP CB C 48 40.657 40.657 40.909 -0.252 19367 3801 1 9 . 1 1 48 48 ASP H H 48 7.473 7.473 7.453 0.020 19367 3802 1 9 . 1 1 49 49 VAL N N 49 121.848 121.848 119.944 1.904 19367 3803 1 9 . 1 1 49 49 VAL HA H 49 3.364 3.364 3.661 -0.297 19367 3804 1 9 . 1 1 49 49 VAL CA C 49 66.354 66.354 65.720 0.634 19367 3805 1 9 . 1 1 49 49 VAL CB C 49 30.961 30.961 31.748 -0.787 19367 3806 1 9 . 1 1 49 49 VAL H H 49 7.600 7.600 7.711 -0.111 19367 3807 1 9 . 1 1 50 50 VAL N N 50 119.961 119.961 120.255 -0.294 19367 3808 1 9 . 1 1 50 50 VAL HA H 50 3.176 3.176 3.562 -0.386 19367 3809 1 9 . 1 1 50 50 VAL CA C 50 67.270 67.270 66.627 0.643 19367 3810 1 9 . 1 1 50 50 VAL CB C 50 31.662 31.662 31.645 0.017 19367 3811 1 9 . 1 1 50 50 VAL H H 50 8.567 8.567 8.448 0.119 19367 3812 1 9 . 1 1 51 51 GLN N N 51 116.203 116.203 118.546 -2.343 19367 3813 1 9 . 1 1 51 51 GLN HA H 51 4.204 4.204 4.267 -0.063 19367 3814 1 9 . 1 1 51 51 GLN CA C 51 59.334 59.334 58.543 0.791 19367 3815 1 9 . 1 1 51 51 GLN CB C 51 28.717 28.717 28.485 0.232 19367 3816 1 9 . 1 1 51 51 GLN H H 51 7.802 7.802 7.719 0.083 19367 3817 1 9 . 1 1 52 52 GLU N N 52 119.616 119.616 119.867 -0.251 19367 3818 1 9 . 1 1 52 52 GLU HA H 52 4.085 4.085 4.205 -0.120 19367 3819 1 9 . 1 1 52 52 GLU CA C 52 59.267 59.267 58.374 0.893 19367 3820 1 9 . 1 1 52 52 GLU CB C 52 29.178 29.178 29.550 -0.372 19367 3821 1 9 . 1 1 52 52 GLU H H 52 7.880 7.880 7.702 0.178 19367 3822 1 9 . 1 1 53 53 ALA N N 53 120.964 120.964 121.775 -0.811 19367 3823 1 9 . 1 1 53 53 ALA HA H 53 3.713 3.713 4.116 -0.403 19367 3824 1 9 . 1 1 53 53 ALA CA C 53 55.176 55.176 54.298 0.878 19367 3825 1 9 . 1 1 53 53 ALA CB C 53 16.573 16.573 18.306 -1.733 19367 3826 1 9 . 1 1 53 53 ALA H H 53 8.381 8.381 7.420 0.961 19367 3827 1 9 . 1 1 54 54 PHE N N 54 113.370 113.370 117.701 -4.331 19367 3828 1 9 . 1 1 54 54 PHE HA H 54 4.329 4.329 4.586 -0.257 19367 3829 1 9 . 1 1 54 54 PHE CA C 54 63.496 63.496 61.168 2.328 19367 3830 1 9 . 1 1 54 54 PHE CB C 54 39.097 39.097 39.311 -0.214 19367 3831 1 9 . 1 1 54 54 PHE H H 54 7.942 7.942 7.812 0.130 19367 3832 1 9 . 1 1 55 55 ILE N N 55 121.983 121.983 120.001 1.982 19367 3833 1 9 . 1 1 55 55 ILE HA H 55 3.946 3.946 3.917 0.029 19367 3834 1 9 . 1 1 55 55 ILE CA C 55 64.969 64.969 63.541 1.428 19367 3835 1 9 . 1 1 55 55 ILE CB C 55 37.589 37.589 37.658 -0.070 19367 3836 1 9 . 1 1 55 55 ILE H H 55 8.373 8.373 7.850 0.523 19367 3837 1 9 . 1 1 56 56 LYS N N 56 120.661 120.661 120.690 -0.029 19367 3838 1 9 . 1 1 56 56 LYS HA H 56 3.860 3.860 4.153 -0.293 19367 3839 1 9 . 1 1 56 56 LYS CA C 56 59.835 59.835 58.412 1.423 19367 3840 1 9 . 1 1 56 56 LYS CB C 56 31.904 31.904 31.930 -0.026 19367 3841 1 9 . 1 1 56 56 LYS H H 56 8.318 8.318 7.776 0.542 19367 3842 1 9 . 1 1 57 57 ALA N N 57 119.884 119.884 122.029 -2.145 19367 3843 1 9 . 1 1 57 57 ALA HA H 57 3.784 3.784 4.210 -0.426 19367 3844 1 9 . 1 1 57 57 ALA CA C 57 54.552 54.552 54.690 -0.138 19367 3845 1 9 . 1 1 57 57 ALA CB C 57 18.251 18.251 18.499 -0.248 19367 3846 1 9 . 1 1 57 57 ALA H H 57 7.937 7.937 7.510 0.427 19367 3847 1 9 . 1 1 58 58 TYR N N 58 116.541 116.541 119.727 -3.186 19367 3848 1 9 . 1 1 58 58 TYR HA H 58 3.549 3.549 3.613 -0.064 19367 3849 1 9 . 1 1 58 58 TYR CA C 58 61.528 61.528 61.258 0.270 19367 3850 1 9 . 1 1 58 58 TYR CB C 58 37.885 37.885 38.402 -0.517 19367 3851 1 9 . 1 1 58 58 TYR H H 58 8.404 8.404 8.208 0.196 19367 3852 1 9 . 1 1 59 59 ARG N N 59 116.321 116.321 116.277 0.044 19367 3853 1 9 . 1 1 59 59 ARG HA H 59 3.791 3.791 4.166 -0.375 19367 3854 1 9 . 1 1 59 59 ARG CA C 59 58.500 58.500 56.971 1.529 19367 3855 1 9 . 1 1 59 59 ARG CB C 59 30.268 30.268 30.528 -0.260 19367 3856 1 9 . 1 1 59 59 ARG H H 59 8.404 8.404 7.584 0.820 19367 3857 1 9 . 1 1 60 60 ALA N N 60 118.867 118.867 120.593 -1.726 19367 3858 1 9 . 1 1 60 60 ALA HA H 60 4.879 4.879 4.576 0.303 19367 3859 1 9 . 1 1 60 60 ALA CA C 60 51.372 51.372 52.050 -0.678 19367 3860 1 9 . 1 1 60 60 ALA CB C 60 20.539 20.539 20.051 0.488 19367 3861 1 9 . 1 1 60 60 ALA H H 60 7.630 7.630 7.487 0.143 19367 3862 1 9 . 1 1 61 61 LEU N N 61 124.902 124.902 120.466 4.436 19367 3863 1 9 . 1 1 61 61 LEU HA H 61 4.094 4.094 4.083 0.011 19367 3864 1 9 . 1 1 61 61 LEU CA C 61 58.442 58.442 57.263 1.179 19367 3865 1 9 . 1 1 61 61 LEU CB C 61 42.290 42.290 42.189 0.101 19367 3866 1 9 . 1 1 61 61 LEU H H 61 7.598 7.598 8.110 -0.512 19367 3867 1 9 . 1 1 62 62 ASP N N 62 117.094 117.094 119.532 -2.438 19367 3868 1 9 . 1 1 62 62 ASP HA H 62 4.345 4.345 4.527 -0.182 19367 3869 1 9 . 1 1 62 62 ASP CA C 62 56.690 56.690 56.127 0.563 19367 3870 1 9 . 1 1 62 62 ASP CB C 62 39.812 39.812 40.569 -0.757 19367 3871 1 9 . 1 1 62 62 ASP H H 62 8.686 8.686 8.755 -0.069 19367 3872 1 9 . 1 1 63 63 SER N N 63 112.854 112.854 114.698 -1.844 19367 3873 1 9 . 1 1 63 63 SER HA H 63 4.554 4.554 4.531 0.023 19367 3874 1 9 . 1 1 63 63 SER CA C 63 58.052 58.052 57.562 0.490 19367 3875 1 9 . 1 1 63 63 SER CB C 63 64.719 64.719 64.628 0.091 19367 3876 1 9 . 1 1 63 63 SER H H 63 7.969 7.969 7.441 0.528 19367 3877 1 9 . 1 1 64 64 PHE N N 64 125.623 125.623 124.438 1.185 19367 3878 1 9 . 1 1 64 64 PHE HA H 64 4.238 4.238 3.967 0.271 19367 3879 1 9 . 1 1 64 64 PHE CA C 64 56.826 56.826 58.583 -1.757 19367 3880 1 9 . 1 1 64 64 PHE CB C 64 38.210 38.210 39.361 -1.151 19367 3881 1 9 . 1 1 64 64 PHE H H 64 7.383 7.383 7.430 -0.047 19367 3882 1 9 . 1 1 65 65 ARG N N 65 133.273 133.273 123.674 9.599 19367 3883 1 9 . 1 1 65 65 ARG HA H 65 3.861 3.861 4.129 -0.268 19367 3884 1 9 . 1 1 65 65 ARG CA C 65 57.826 57.826 55.727 2.099 19367 3885 1 9 . 1 1 65 65 ARG CB C 65 31.054 31.054 30.557 0.497 19367 3886 1 9 . 1 1 65 65 ARG H H 65 10.968 10.968 7.964 3.004 19367 3887 1 9 . 1 1 66 66 GLY N N 66 103.283 103.283 106.959 -3.676 19367 3888 1 9 . 1 1 66 66 GLY CA C 66 46.309 46.309 44.722 1.587 19367 3889 1 9 . 1 1 66 66 GLY H H 66 5.673 5.673 6.331 -0.658 19367 3890 1 9 . 1 1 67 67 ASP N N 67 120.001 120.001 119.524 0.477 19367 3891 1 9 . 1 1 67 67 ASP HA H 67 4.551 4.551 4.550 0.001 19367 3892 1 9 . 1 1 67 67 ASP CA C 67 55.488 55.488 55.094 0.394 19367 3893 1 9 . 1 1 67 67 ASP CB C 67 40.655 40.655 41.059 -0.404 19367 3894 1 9 . 1 1 67 67 ASP H H 67 7.960 7.960 8.214 -0.254 19367 3895 1 9 . 1 1 68 68 SER N N 68 110.787 110.787 112.047 -1.260 19367 3896 1 9 . 1 1 68 68 SER HA H 68 4.633 4.633 4.646 -0.013 19367 3897 1 9 . 1 1 68 68 SER CA C 68 56.762 56.762 57.108 -0.346 19367 3898 1 9 . 1 1 68 68 SER CB C 68 67.439 67.439 64.571 2.868 19367 3899 1 9 . 1 1 68 68 SER H H 68 7.692 7.692 7.384 0.308 19367 3900 1 9 . 1 1 69 69 ALA N N 69 122.464 122.464 123.856 -1.392 19367 3901 1 9 . 1 1 69 69 ALA HA H 69 4.692 4.692 4.439 0.253 19367 3902 1 9 . 1 1 69 69 ALA CA C 69 52.674 52.674 52.569 0.105 19367 3903 1 9 . 1 1 69 69 ALA CB C 69 18.751 18.751 19.664 -0.913 19367 3904 1 9 . 1 1 69 69 ALA H H 69 9.726 9.726 8.667 1.059 19367 3905 1 9 . 1 1 70 70 PHE N N 70 127.188 127.188 122.562 4.626 19367 3906 1 9 . 1 1 70 70 PHE HA H 70 4.085 4.085 4.195 -0.110 19367 3907 1 9 . 1 1 70 70 PHE CA C 70 62.108 62.108 61.417 0.691 19367 3908 1 9 . 1 1 70 70 PHE CB C 70 39.054 39.054 39.672 -0.618 19367 3909 1 9 . 1 1 70 70 PHE H H 70 9.774 9.774 9.185 0.589 19367 3910 1 9 . 1 1 71 71 TYR N N 71 117.533 117.533 118.130 -0.597 19367 3911 1 9 . 1 1 71 71 TYR HA H 71 3.449 3.449 3.892 -0.443 19367 3912 1 9 . 1 1 71 71 TYR CA C 71 61.684 61.684 60.470 1.214 19367 3913 1 9 . 1 1 71 71 TYR CB C 71 37.072 37.072 37.855 -0.783 19367 3914 1 9 . 1 1 71 71 TYR H H 71 9.720 9.720 8.761 0.959 19367 3915 1 9 . 1 1 72 72 THR N N 72 114.574 114.574 116.813 -2.239 19367 3916 1 9 . 1 1 72 72 THR HA H 72 5.436 5.436 3.889 1.547 19367 3917 1 9 . 1 1 72 72 THR CA C 72 63.426 63.426 66.231 -2.805 19367 3918 1 9 . 1 1 72 72 THR CB C 72 68.762 68.762 68.480 0.282 19367 3919 1 9 . 1 1 72 72 THR H H 72 6.675 6.675 7.730 -1.055 19367 3920 1 9 . 1 1 73 73 TRP N N 73 123.561 123.561 123.111 0.450 19367 3921 1 9 . 1 1 73 73 TRP HA H 73 3.956 3.956 4.502 -0.546 19367 3922 1 9 . 1 1 73 73 TRP CA C 73 62.112 62.112 60.232 1.880 19367 3923 1 9 . 1 1 73 73 TRP CB C 73 28.971 28.971 29.516 -0.545 19367 3924 1 9 . 1 1 73 73 TRP H H 73 6.924 6.924 7.434 -0.510 19367 3925 1 9 . 1 1 74 74 LEU N N 74 118.760 118.760 121.672 -2.912 19367 3926 1 9 . 1 1 74 74 LEU HA H 74 2.960 2.960 3.379 -0.419 19367 3927 1 9 . 1 1 74 74 LEU CA C 74 57.105 57.105 56.958 0.147 19367 3928 1 9 . 1 1 74 74 LEU CB C 74 41.503 41.503 41.443 0.060 19367 3929 1 9 . 1 1 74 74 LEU H H 74 7.903 7.903 7.558 0.345 19367 3930 1 9 . 1 1 75 75 TYR N N 75 119.616 119.616 118.659 0.957 19367 3931 1 9 . 1 1 75 75 TYR HA H 75 2.928 2.928 3.758 -0.830 19367 3932 1 9 . 1 1 75 75 TYR CA C 75 60.187 60.187 61.219 -1.032 19367 3933 1 9 . 1 1 75 75 TYR CB C 75 37.987 37.987 37.944 0.043 19367 3934 1 9 . 1 1 75 75 TYR H H 75 8.717 8.717 8.274 0.443 19367 3935 1 9 . 1 1 76 76 ARG N N 76 116.789 116.789 118.789 -2.000 19367 3936 1 9 . 1 1 76 76 ARG HA H 76 3.634 3.634 4.055 -0.421 19367 3937 1 9 . 1 1 76 76 ARG CA C 76 56.003 56.003 58.267 -2.264 19367 3938 1 9 . 1 1 76 76 ARG CB C 76 27.476 27.476 29.252 -1.776 19367 3939 1 9 . 1 1 76 76 ARG H H 76 6.809 6.809 7.377 -0.568 19367 3940 1 9 . 1 1 77 77 ILE N N 77 117.721 117.721 119.248 -1.527 19367 3941 1 9 . 1 1 77 77 ILE HA H 77 2.853 2.853 3.585 -0.732 19367 3942 1 9 . 1 1 77 77 ILE CA C 77 65.599 65.599 64.374 1.225 19367 3943 1 9 . 1 1 77 77 ILE CB C 77 36.937 36.937 37.451 -0.514 19367 3944 1 9 . 1 1 77 77 ILE H H 77 7.316 7.316 7.161 0.155 19367 3945 1 9 . 1 1 78 78 ALA N N 78 125.528 125.528 123.251 2.277 19367 3946 1 9 . 1 1 78 78 ALA HA H 78 3.369 3.369 3.841 -0.472 19367 3947 1 9 . 1 1 78 78 ALA CA C 78 55.876 55.876 54.947 0.929 19367 3948 1 9 . 1 1 78 78 ALA CB C 78 17.833 17.833 18.078 -0.245 19367 3949 1 9 . 1 1 78 78 ALA H H 78 8.788 8.788 7.907 0.881 19367 3950 1 9 . 1 1 79 79 VAL N N 79 117.392 117.392 117.225 0.167 19367 3951 1 9 . 1 1 79 79 VAL HA H 79 2.819 2.819 3.413 -0.594 19367 3952 1 9 . 1 1 79 79 VAL CA C 79 67.174 67.174 65.115 2.059 19367 3953 1 9 . 1 1 79 79 VAL CB C 79 31.642 31.642 31.838 -0.196 19367 3954 1 9 . 1 1 79 79 VAL H H 79 8.046 8.046 7.809 0.237 19367 3955 1 9 . 1 1 80 80 ASN N N 80 117.152 117.152 117.110 0.042 19367 3956 1 9 . 1 1 80 80 ASN HA H 80 4.368 4.368 4.549 -0.181 19367 3957 1 9 . 1 1 80 80 ASN CA C 80 55.630 55.630 55.355 0.275 19367 3958 1 9 . 1 1 80 80 ASN CB C 80 36.752 36.752 37.995 -1.243 19367 3959 1 9 . 1 1 80 80 ASN H H 80 8.146 8.146 7.601 0.545 19367 3960 1 9 . 1 1 81 81 THR N N 81 119.140 119.140 117.333 1.807 19367 3961 1 9 . 1 1 81 81 THR HA H 81 3.795 3.795 4.169 -0.374 19367 3962 1 9 . 1 1 81 81 THR CA C 81 67.441 67.441 65.949 1.492 19367 3963 1 9 . 1 1 81 81 THR CB C 81 68.102 68.102 68.732 -0.630 19367 3964 1 9 . 1 1 81 81 THR H H 81 8.320 8.320 7.913 0.407 19367 3965 1 9 . 1 1 82 82 ALA N N 82 124.957 124.957 123.716 1.241 19367 3966 1 9 . 1 1 82 82 ALA HA H 82 3.789 3.789 4.079 -0.290 19367 3967 1 9 . 1 1 82 82 ALA CA C 82 55.415 55.415 54.844 0.571 19367 3968 1 9 . 1 1 82 82 ALA CB C 82 18.020 18.020 18.315 -0.295 19367 3969 1 9 . 1 1 82 82 ALA H H 82 8.037 8.037 7.903 0.134 19367 3970 1 9 . 1 1 83 83 LYS N N 83 116.190 116.190 117.045 -0.855 19367 3971 1 9 . 1 1 83 83 LYS HA H 83 3.815 3.815 4.034 -0.219 19367 3972 1 9 . 1 1 83 83 LYS CA C 83 60.160 60.160 58.770 1.390 19367 3973 1 9 . 1 1 83 83 LYS CB C 83 32.312 32.312 32.475 -0.163 19367 3974 1 9 . 1 1 83 83 LYS H H 83 8.314 8.314 7.673 0.641 19367 3975 1 9 . 1 1 84 84 ASN N N 84 117.083 117.083 117.695 -0.612 19367 3976 1 9 . 1 1 84 84 ASN HA H 84 4.486 4.486 4.477 0.009 19367 3977 1 9 . 1 1 84 84 ASN CA C 84 55.213 55.213 54.948 0.265 19367 3978 1 9 . 1 1 84 84 ASN CB C 84 38.461 38.461 38.458 0.003 19367 3979 1 9 . 1 1 84 84 ASN H H 84 8.004 8.004 7.644 0.360 19367 3980 1 9 . 1 1 85 85 TYR N N 85 122.935 122.935 120.913 2.022 19367 3981 1 9 . 1 1 85 85 TYR HA H 85 4.147 4.147 4.286 -0.139 19367 3982 1 9 . 1 1 85 85 TYR CA C 85 61.408 61.408 61.239 0.169 19367 3983 1 9 . 1 1 85 85 TYR CB C 85 38.428 38.428 38.692 -0.264 19367 3984 1 9 . 1 1 85 85 TYR H H 85 7.935 7.935 7.597 0.338 19367 3985 1 9 . 1 1 86 86 LEU N N 86 119.119 119.119 117.927 1.192 19367 3986 1 9 . 1 1 86 86 LEU HA H 86 3.998 3.998 3.964 0.034 19367 3987 1 9 . 1 1 86 86 LEU CA C 86 57.647 57.647 57.278 0.369 19367 3988 1 9 . 1 1 86 86 LEU CB C 86 41.906 41.906 41.922 -0.016 19367 3989 1 9 . 1 1 86 86 LEU H H 86 7.810 7.810 7.614 0.196 19367 3990 1 9 . 1 1 87 87 VAL N N 87 118.991 118.991 113.680 5.311 19367 3991 1 9 . 1 1 87 87 VAL HA H 87 3.806 3.806 4.093 -0.287 19367 3992 1 9 . 1 1 87 87 VAL CA C 87 64.989 64.989 63.585 1.404 19367 3993 1 9 . 1 1 87 87 VAL CB C 87 32.126 32.126 30.736 1.390 19367 3994 1 9 . 1 1 87 87 VAL H H 87 7.701 7.701 7.238 0.463 19367 3995 1 9 . 1 1 88 88 ALA N N 88 123.643 123.643 123.190 0.453 19367 3996 1 9 . 1 1 88 88 ALA HA H 88 4.088 4.088 4.085 0.003 19367 3997 1 9 . 1 1 88 88 ALA CA C 88 54.188 54.188 54.813 -0.625 19367 3998 1 9 . 1 1 88 88 ALA CB C 88 18.460 18.460 18.955 -0.495 19367 3999 1 9 . 1 1 88 88 ALA H H 88 7.978 7.978 7.411 0.567 19367 4000 1 9 . 1 1 89 89 GLN N N 89 116.659 116.659 114.987 1.672 19367 4001 1 9 . 1 1 89 89 GLN HA H 89 4.024 4.024 4.380 -0.356 19367 4002 1 9 . 1 1 89 89 GLN CA C 89 56.818 56.818 56.038 0.780 19367 4003 1 9 . 1 1 89 89 GLN CB C 89 28.776 28.776 28.102 0.674 19367 4004 1 9 . 1 1 89 89 GLN H H 89 7.974 7.974 7.581 0.393 19367 4005 1 9 . 1 1 90 90 GLY N N 90 107.464 107.464 108.579 -1.115 19367 4006 1 9 . 1 1 90 90 GLY CA C 90 45.782 45.782 45.860 -0.078 19367 4007 1 9 . 1 1 90 90 GLY H H 90 7.967 7.967 7.949 0.018 19367 4008 1 9 . 1 1 91 91 ARG N N 91 119.736 119.736 118.034 1.702 19367 4009 1 9 . 1 1 91 91 ARG HA H 91 4.299 4.299 4.708 -0.409 19367 4010 1 9 . 1 1 91 91 ARG CA C 91 56.216 56.216 54.514 1.702 19367 4011 1 9 . 1 1 91 91 ARG CB C 91 30.805 30.805 30.182 0.623 19367 4012 1 9 . 1 1 91 91 ARG H H 91 7.824 7.824 7.595 0.229 19367 4013 1 9 . 1 1 92 92 ARG N N 92 120.592 120.592 117.856 2.736 19367 4014 1 9 . 1 1 92 92 ARG HA H 92 4.270 4.270 4.442 -0.172 19367 4015 1 9 . 1 1 92 92 ARG CA C 92 56.451 56.451 56.209 0.242 19367 4016 1 9 . 1 1 92 92 ARG CB C 92 30.658 30.658 31.866 -1.208 19367 4017 1 9 . 1 1 92 92 ARG H H 92 8.038 8.038 7.405 0.633 19367 4018 1 9 . 1 1 93 93 LEU N N 93 122.274 122.274 121.229 1.045 19367 4019 1 9 . 1 1 93 93 LEU HA H 93 4.258 4.258 4.586 -0.328 19367 4020 1 9 . 1 1 93 93 LEU CA C 93 55.463 55.463 55.037 0.426 19367 4021 1 9 . 1 1 93 93 LEU CB C 93 42.203 42.203 41.745 0.458 19367 4022 1 9 . 1 1 93 93 LEU H H 93 8.147 8.147 7.719 0.428 19367 4023 1 9 . 1 1 94 94 GLU N N 94 120.794 120.794 118.147 2.647 19367 4024 1 9 . 1 1 94 94 GLU HA H 94 4.249 4.249 4.460 -0.211 19367 4025 1 9 . 1 1 94 94 GLU CA C 94 56.557 56.557 55.053 1.504 19367 4026 1 9 . 1 1 94 94 GLU CB C 94 30.103 30.103 30.625 -0.522 19367 4027 1 9 . 1 1 94 94 GLU H H 94 8.241 8.241 7.710 0.531 19367 4028 1 9 . 1 1 95 95 LEU N N 95 122.290 122.290 121.199 1.091 19367 4029 1 9 . 1 1 95 95 LEU HA H 95 4.312 4.312 4.089 0.223 19367 4030 1 9 . 1 1 95 95 LEU CA C 95 55.080 55.080 55.500 -0.420 19367 4031 1 9 . 1 1 95 95 LEU CB C 95 42.130 42.130 41.283 0.847 19367 4032 1 9 . 1 1 95 95 LEU H H 95 8.068 8.068 8.593 -0.525 19367 4033 1 10 . 1 1 4 4 GLN N N 4 121.848 121.848 118.206 3.642 19367 4034 1 10 . 1 1 4 4 GLN HA H 4 4.307 4.307 4.203 0.104 19367 4035 1 10 . 1 1 4 4 GLN CA C 4 55.724 55.724 56.531 -0.807 19367 4036 1 10 . 1 1 4 4 GLN CB C 4 29.297 29.297 28.489 0.808 19367 4037 1 10 . 1 1 4 4 GLN H H 4 8.500 8.500 8.534 -0.034 19367 4038 1 10 . 1 1 5 5 LEU N N 5 124.347 124.347 119.175 5.172 19367 4039 1 10 . 1 1 5 5 LEU HA H 5 4.548 4.548 4.602 -0.054 19367 4040 1 10 . 1 1 5 5 LEU CA C 5 53.785 53.785 54.608 -0.823 19367 4041 1 10 . 1 1 5 5 LEU CB C 5 41.886 41.886 42.082 -0.196 19367 4042 1 10 . 1 1 5 5 LEU H H 5 8.565 8.565 8.611 -0.046 19367 4043 1 10 . 1 1 6 6 THR N N 6 114.442 114.442 111.914 2.528 19367 4044 1 10 . 1 1 6 6 THR HA H 6 4.353 4.353 4.188 0.165 19367 4045 1 10 . 1 1 6 6 THR CA C 6 61.195 61.195 61.378 -0.183 19367 4046 1 10 . 1 1 6 6 THR CB C 6 70.541 70.541 69.974 0.567 19367 4047 1 10 . 1 1 6 6 THR H H 6 7.950 7.950 7.787 0.163 19367 4048 1 10 . 1 1 7 7 ASP N N 7 120.959 120.959 118.387 2.572 19367 4049 1 10 . 1 1 7 7 ASP HA H 7 4.197 4.197 4.266 -0.069 19367 4050 1 10 . 1 1 7 7 ASP CA C 7 57.820 57.820 56.884 0.936 19367 4051 1 10 . 1 1 7 7 ASP CB C 7 39.621 39.621 40.090 -0.469 19367 4052 1 10 . 1 1 7 7 ASP H H 7 9.008 9.008 9.046 -0.038 19367 4053 1 10 . 1 1 8 8 GLN N N 8 116.649 116.649 119.769 -3.120 19367 4054 1 10 . 1 1 8 8 GLN HA H 8 4.012 4.012 4.119 -0.107 19367 4055 1 10 . 1 1 8 8 GLN CA C 8 59.746 59.746 58.572 1.174 19367 4056 1 10 . 1 1 8 8 GLN CB C 8 28.188 28.188 28.792 -0.604 19367 4057 1 10 . 1 1 8 8 GLN H H 8 8.561 8.561 7.484 1.077 19367 4058 1 10 . 1 1 9 9 VAL N N 9 120.579 120.579 119.803 0.776 19367 4059 1 10 . 1 1 9 9 VAL HA H 9 3.760 3.760 4.164 -0.404 19367 4060 1 10 . 1 1 9 9 VAL CA C 9 66.108 66.108 63.662 2.446 19367 4061 1 10 . 1 1 9 9 VAL CB C 9 31.558 31.558 32.034 -0.476 19367 4062 1 10 . 1 1 9 9 VAL H H 9 7.450 7.450 7.503 -0.053 19367 4063 1 10 . 1 1 10 10 LEU N N 10 119.806 119.806 121.156 -1.350 19367 4064 1 10 . 1 1 10 10 LEU HA H 10 3.917 3.917 4.160 -0.243 19367 4065 1 10 . 1 1 10 10 LEU CA C 10 58.415 58.415 57.788 0.627 19367 4066 1 10 . 1 1 10 10 LEU CB C 10 41.299 41.299 41.780 -0.481 19367 4067 1 10 . 1 1 10 10 LEU H H 10 7.865 7.865 7.559 0.306 19367 4068 1 10 . 1 1 11 11 VAL N N 11 119.041 119.041 118.478 0.563 19367 4069 1 10 . 1 1 11 11 VAL HA H 11 3.280 3.280 3.547 -0.267 19367 4070 1 10 . 1 1 11 11 VAL CA C 11 67.631 67.631 66.393 1.238 19367 4071 1 10 . 1 1 11 11 VAL CB C 11 31.723 31.723 31.430 0.293 19367 4072 1 10 . 1 1 11 11 VAL H H 11 8.734 8.734 7.682 1.052 19367 4073 1 10 . 1 1 12 12 GLU N N 12 119.018 119.018 119.489 -0.471 19367 4074 1 10 . 1 1 12 12 GLU HA H 12 4.110 4.110 3.967 0.143 19367 4075 1 10 . 1 1 12 12 GLU CA C 12 59.514 59.514 59.410 0.104 19367 4076 1 10 . 1 1 12 12 GLU CB C 12 28.603 28.603 29.371 -0.768 19367 4077 1 10 . 1 1 12 12 GLU H H 12 7.802 7.802 7.572 0.230 19367 4078 1 10 . 1 1 13 13 ARG N N 13 117.242 117.242 119.793 -2.551 19367 4079 1 10 . 1 1 13 13 ARG HA H 13 4.011 4.011 4.150 -0.139 19367 4080 1 10 . 1 1 13 13 ARG CA C 13 60.016 60.016 59.045 0.971 19367 4081 1 10 . 1 1 13 13 ARG CB C 13 27.737 27.737 30.240 -2.503 19367 4082 1 10 . 1 1 13 13 ARG H H 13 8.107 8.107 7.631 0.476 19367 4083 1 10 . 1 1 14 14 VAL N N 14 121.430 121.430 118.884 2.546 19367 4084 1 10 . 1 1 14 14 VAL HA H 14 3.767 3.767 4.122 -0.355 19367 4085 1 10 . 1 1 14 14 VAL CA C 14 66.462 66.462 65.912 0.550 19367 4086 1 10 . 1 1 14 14 VAL CB C 14 31.616 31.616 32.112 -0.496 19367 4087 1 10 . 1 1 14 14 VAL H H 14 8.435 8.435 7.657 0.778 19367 4088 1 10 . 1 1 15 15 GLN N N 15 120.667 120.667 118.085 2.582 19367 4089 1 10 . 1 1 15 15 GLN HA H 15 4.088 4.088 4.113 -0.025 19367 4090 1 10 . 1 1 15 15 GLN CA C 15 58.628 58.628 57.998 0.630 19367 4091 1 10 . 1 1 15 15 GLN CB C 15 27.995 27.995 28.202 -0.207 19367 4092 1 10 . 1 1 15 15 GLN H H 15 8.670 8.670 7.834 0.836 19367 4093 1 10 . 1 1 16 16 LYS N N 16 116.797 116.797 119.181 -2.384 19367 4094 1 10 . 1 1 16 16 LYS HA H 16 4.374 4.374 4.258 0.116 19367 4095 1 10 . 1 1 16 16 LYS CA C 16 56.278 56.278 56.634 -0.356 19367 4096 1 10 . 1 1 16 16 LYS CB C 16 32.299 32.299 32.629 -0.330 19367 4097 1 10 . 1 1 16 16 LYS H H 16 7.700 7.700 7.636 0.064 19367 4098 1 10 . 1 1 17 17 GLY N N 17 107.001 107.001 107.588 -0.587 19367 4099 1 10 . 1 1 17 17 GLY CA C 17 45.608 45.608 44.735 0.873 19367 4100 1 10 . 1 1 17 17 GLY H H 17 7.927 7.927 7.744 0.183 19367 4101 1 10 . 1 1 18 18 ASP N N 18 121.666 121.666 121.924 -0.258 19367 4102 1 10 . 1 1 18 18 ASP HA H 18 4.769 4.769 4.740 0.029 19367 4103 1 10 . 1 1 18 18 ASP CA C 18 52.999 52.999 53.903 -0.903 19367 4104 1 10 . 1 1 18 18 ASP CB C 18 40.814 40.814 41.397 -0.583 19367 4105 1 10 . 1 1 18 18 ASP H H 18 8.255 8.255 7.660 0.595 19367 4106 1 10 . 1 1 19 19 GLN N N 19 124.874 124.874 126.782 -1.908 19367 4107 1 10 . 1 1 19 19 GLN HA H 19 4.150 4.150 4.402 -0.252 19367 4108 1 10 . 1 1 19 19 GLN CA C 19 58.922 58.922 58.020 0.902 19367 4109 1 10 . 1 1 19 19 GLN CB C 19 28.759 28.759 29.041 -0.281 19367 4110 1 10 . 1 1 19 19 GLN H H 19 8.392 8.392 8.787 -0.395 19367 4111 1 10 . 1 1 20 20 LYS N N 20 119.006 119.006 119.105 -0.099 19367 4112 1 10 . 1 1 20 20 LYS HA H 20 4.118 4.118 4.185 -0.067 19367 4113 1 10 . 1 1 20 20 LYS CA C 20 58.642 58.642 58.119 0.523 19367 4114 1 10 . 1 1 20 20 LYS CB C 20 31.678 31.678 32.167 -0.489 19367 4115 1 10 . 1 1 20 20 LYS H H 20 8.348 8.348 8.200 0.148 19367 4116 1 10 . 1 1 21 21 ALA N N 21 121.687 121.687 121.736 -0.049 19367 4117 1 10 . 1 1 21 21 ALA HA H 21 4.010 4.010 4.177 -0.167 19367 4118 1 10 . 1 1 21 21 ALA CA C 21 54.485 54.485 54.733 -0.248 19367 4119 1 10 . 1 1 21 21 ALA CB C 21 18.634 18.634 18.160 0.474 19367 4120 1 10 . 1 1 21 21 ALA H H 21 7.500 7.500 8.415 -0.915 19367 4121 1 10 . 1 1 22 22 PHE N N 22 117.219 117.219 118.893 -1.674 19367 4122 1 10 . 1 1 22 22 PHE HA H 22 3.994 3.994 4.249 -0.255 19367 4123 1 10 . 1 1 22 22 PHE CA C 22 61.907 61.907 60.487 1.420 19367 4124 1 10 . 1 1 22 22 PHE CB C 22 38.571 38.571 39.559 -0.988 19367 4125 1 10 . 1 1 22 22 PHE H H 22 7.810 7.810 7.811 -0.001 19367 4126 1 10 . 1 1 23 23 ASN N N 23 115.600 115.600 118.997 -3.397 19367 4127 1 10 . 1 1 23 23 ASN HA H 23 4.163 4.163 4.274 -0.111 19367 4128 1 10 . 1 1 23 23 ASN CA C 23 56.264 56.264 56.446 -0.182 19367 4129 1 10 . 1 1 23 23 ASN CB C 23 38.131 38.131 38.415 -0.284 19367 4130 1 10 . 1 1 23 23 ASN H H 23 7.711 7.711 7.725 -0.014 19367 4131 1 10 . 1 1 24 24 LEU N N 24 117.605 117.605 119.479 -1.874 19367 4132 1 10 . 1 1 24 24 LEU HA H 24 3.999 3.999 4.093 -0.094 19367 4133 1 10 . 1 1 24 24 LEU CA C 24 57.811 57.811 57.303 0.508 19367 4134 1 10 . 1 1 24 24 LEU CB C 24 41.367 41.367 41.027 0.340 19367 4135 1 10 . 1 1 24 24 LEU H H 24 7.344 7.344 7.553 -0.209 19367 4136 1 10 . 1 1 25 25 LEU N N 25 120.426 120.426 120.560 -0.134 19367 4137 1 10 . 1 1 25 25 LEU HA H 25 3.938 3.938 4.033 -0.095 19367 4138 1 10 . 1 1 25 25 LEU CA C 25 57.863 57.863 57.603 0.260 19367 4139 1 10 . 1 1 25 25 LEU CB C 25 41.479 41.479 41.574 -0.095 19367 4140 1 10 . 1 1 25 25 LEU H H 25 7.036 7.036 7.209 -0.173 19367 4141 1 10 . 1 1 26 26 VAL N N 26 119.676 119.676 119.257 0.419 19367 4142 1 10 . 1 1 26 26 VAL HA H 26 2.857 2.857 2.902 -0.045 19367 4143 1 10 . 1 1 26 26 VAL CA C 26 65.821 65.821 66.432 -0.611 19367 4144 1 10 . 1 1 26 26 VAL CB C 26 30.816 30.816 30.849 -0.033 19367 4145 1 10 . 1 1 26 26 VAL H H 26 7.369 7.369 7.679 -0.310 19367 4146 1 10 . 1 1 27 27 VAL N N 27 117.098 117.098 117.885 -0.787 19367 4147 1 10 . 1 1 27 27 VAL HA H 27 3.542 3.542 3.539 0.003 19367 4148 1 10 . 1 1 27 27 VAL CA C 27 65.837 65.837 65.378 0.459 19367 4149 1 10 . 1 1 27 27 VAL CB C 27 31.728 31.728 30.851 0.877 19367 4150 1 10 . 1 1 27 27 VAL H H 27 7.816 7.816 7.460 0.356 19367 4151 1 10 . 1 1 28 28 ARG N N 28 118.592 118.592 118.320 0.272 19367 4152 1 10 . 1 1 28 28 ARG HA H 28 3.838 3.838 3.948 -0.110 19367 4153 1 10 . 1 1 28 28 ARG CA C 28 59.356 59.356 58.492 0.864 19367 4154 1 10 . 1 1 28 28 ARG CB C 28 31.069 31.069 30.199 0.870 19367 4155 1 10 . 1 1 28 28 ARG H H 28 7.491 7.491 7.381 0.110 19367 4156 1 10 . 1 1 29 29 TYR N N 29 112.635 112.635 117.082 -4.447 19367 4157 1 10 . 1 1 29 29 TYR HA H 29 4.945 4.945 4.900 0.045 19367 4158 1 10 . 1 1 29 29 TYR CA C 29 60.438 60.438 58.062 2.376 19367 4159 1 10 . 1 1 29 29 TYR CB C 29 40.619 40.619 39.133 1.486 19367 4160 1 10 . 1 1 29 29 TYR H H 29 7.675 7.675 7.491 0.184 19367 4161 1 10 . 1 1 30 30 GLN N N 30 123.043 123.043 121.362 1.681 19367 4162 1 10 . 1 1 30 30 GLN HA H 30 4.119 4.119 4.327 -0.208 19367 4163 1 10 . 1 1 30 30 GLN CA C 30 61.409 61.409 59.484 1.925 19367 4164 1 10 . 1 1 30 30 GLN CB C 30 26.933 26.933 27.968 -1.035 19367 4165 1 10 . 1 1 30 30 GLN H H 30 9.056 9.056 8.215 0.841 19367 4166 1 10 . 1 1 31 31 HIS N N 31 118.704 118.704 117.231 1.473 19367 4167 1 10 . 1 1 31 31 HIS HA H 31 4.435 4.435 4.659 -0.224 19367 4168 1 10 . 1 1 31 31 HIS CA C 31 59.580 59.580 57.842 1.738 19367 4169 1 10 . 1 1 31 31 HIS CB C 31 29.396 29.396 29.776 -0.380 19367 4170 1 10 . 1 1 31 31 HIS H H 31 8.616 8.616 8.374 0.242 19367 4171 1 10 . 1 1 32 32 LYS N N 32 122.594 122.594 120.724 1.870 19367 4172 1 10 . 1 1 32 32 LYS HA H 32 4.029 4.029 4.297 -0.268 19367 4173 1 10 . 1 1 32 32 LYS CA C 32 59.869 59.869 58.718 1.151 19367 4174 1 10 . 1 1 32 32 LYS CB C 32 32.580 32.580 32.791 -0.211 19367 4175 1 10 . 1 1 32 32 LYS H H 32 7.848 7.848 7.594 0.254 19367 4176 1 10 . 1 1 33 33 VAL N N 33 119.621 119.621 119.676 -0.055 19367 4177 1 10 . 1 1 33 33 VAL HA H 33 3.480 3.480 3.951 -0.471 19367 4178 1 10 . 1 1 33 33 VAL CA C 33 66.671 66.671 64.384 2.287 19367 4179 1 10 . 1 1 33 33 VAL CB C 33 31.142 31.142 31.977 -0.836 19367 4180 1 10 . 1 1 33 33 VAL H H 33 8.653 8.653 8.674 -0.021 19367 4181 1 10 . 1 1 34 34 ALA N N 34 122.622 122.622 121.532 1.090 19367 4182 1 10 . 1 1 34 34 ALA HA H 34 3.736 3.736 4.098 -0.362 19367 4183 1 10 . 1 1 34 34 ALA CA C 34 55.762 55.762 55.046 0.716 19367 4184 1 10 . 1 1 34 34 ALA CB C 34 17.681 17.681 18.188 -0.507 19367 4185 1 10 . 1 1 34 34 ALA H H 34 8.498 8.498 7.761 0.737 19367 4186 1 10 . 1 1 35 35 SER N N 35 113.674 113.674 113.873 -0.199 19367 4187 1 10 . 1 1 35 35 SER HA H 35 4.040 4.040 4.298 -0.258 19367 4188 1 10 . 1 1 35 35 SER CA C 35 61.765 61.765 60.556 1.209 19367 4189 1 10 . 1 1 35 35 SER CB C 35 62.766 62.766 63.358 -0.592 19367 4190 1 10 . 1 1 35 35 SER H H 35 7.897 7.897 7.711 0.186 19367 4191 1 10 . 1 1 36 36 LEU N N 36 123.203 123.203 121.498 1.705 19367 4192 1 10 . 1 1 36 36 LEU HA H 36 3.992 3.992 4.290 -0.298 19367 4193 1 10 . 1 1 36 36 LEU CA C 36 57.863 57.863 57.355 0.508 19367 4194 1 10 . 1 1 36 36 LEU CB C 36 42.718 42.718 42.539 0.179 19367 4195 1 10 . 1 1 36 36 LEU H H 36 7.494 7.494 7.299 0.195 19367 4196 1 10 . 1 1 37 37 VAL N N 37 114.122 114.122 114.786 -0.664 19367 4197 1 10 . 1 1 37 37 VAL HA H 37 3.627 3.627 3.994 -0.367 19367 4198 1 10 . 1 1 37 37 VAL CA C 37 65.879 65.879 65.466 0.413 19367 4199 1 10 . 1 1 37 37 VAL CB C 37 31.214 31.214 31.037 0.177 19367 4200 1 10 . 1 1 37 37 VAL H H 37 8.530 8.530 8.335 0.195 19367 4201 1 10 . 1 1 38 38 SER N N 38 116.259 116.259 115.644 0.615 19367 4202 1 10 . 1 1 38 38 SER HA H 38 4.276 4.276 4.326 -0.050 19367 4203 1 10 . 1 1 38 38 SER CA C 38 60.898 60.898 60.019 0.879 19367 4204 1 10 . 1 1 38 38 SER CB C 38 63.143 63.143 62.898 0.245 19367 4205 1 10 . 1 1 38 38 SER H H 38 8.136 8.136 7.688 0.448 19367 4206 1 10 . 1 1 39 39 ARG N N 39 119.029 119.029 118.202 0.827 19367 4207 1 10 . 1 1 39 39 ARG HA H 39 3.995 3.995 4.006 -0.011 19367 4208 1 10 . 1 1 39 39 ARG CA C 39 57.640 57.640 57.294 0.346 19367 4209 1 10 . 1 1 39 39 ARG CB C 39 29.719 29.719 30.241 -0.523 19367 4210 1 10 . 1 1 39 39 ARG H H 39 7.310 7.310 7.292 0.018 19367 4211 1 10 . 1 1 40 40 TYR N N 40 114.123 114.123 115.659 -1.536 19367 4212 1 10 . 1 1 40 40 TYR HA H 40 4.472 4.472 4.679 -0.207 19367 4213 1 10 . 1 1 40 40 TYR CA C 40 59.298 59.298 57.903 1.395 19367 4214 1 10 . 1 1 40 40 TYR CB C 40 42.809 42.809 40.897 1.912 19367 4215 1 10 . 1 1 40 40 TYR H H 40 7.786 7.786 7.771 0.015 19367 4216 1 10 . 1 1 41 41 VAL N N 41 112.721 112.721 114.108 -1.387 19367 4217 1 10 . 1 1 41 41 VAL HA H 41 4.853 4.853 4.715 0.138 19367 4218 1 10 . 1 1 41 41 VAL CA C 41 57.942 57.942 58.292 -0.350 19367 4219 1 10 . 1 1 41 41 VAL CB C 41 33.171 33.171 33.127 0.044 19367 4220 1 10 . 1 1 41 41 VAL H H 41 7.388 7.388 7.738 -0.350 19367 4221 1 10 . 1 1 42 42 PRO HA H 42 4.415 4.415 4.653 -0.238 19367 4222 1 10 . 1 1 42 42 PRO CA C 42 62.645 62.645 63.227 -0.582 19367 4223 1 10 . 1 1 42 42 PRO CB C 42 32.603 32.603 32.363 0.240 19367 4224 1 10 . 1 1 43 43 SER N N 43 116.784 116.784 116.901 -0.117 19367 4225 1 10 . 1 1 43 43 SER HA H 43 4.009 4.009 4.219 -0.210 19367 4226 1 10 . 1 1 43 43 SER CA C 43 62.098 62.098 60.202 1.896 19367 4227 1 10 . 1 1 43 43 SER CB C 43 62.862 62.862 62.809 0.053 19367 4228 1 10 . 1 1 43 43 SER H H 43 8.602 8.602 8.502 0.100 19367 4229 1 10 . 1 1 44 44 GLY N N 44 107.756 107.756 109.021 -1.265 19367 4230 1 10 . 1 1 44 44 GLY CA C 44 46.503 46.503 45.558 0.945 19367 4231 1 10 . 1 1 44 44 GLY H H 44 8.812 8.812 8.265 0.547 19367 4232 1 10 . 1 1 45 45 ASP N N 45 117.822 117.822 120.058 -2.236 19367 4233 1 10 . 1 1 45 45 ASP HA H 45 4.875 4.875 4.857 0.018 19367 4234 1 10 . 1 1 45 45 ASP CA C 45 54.770 54.770 54.333 0.437 19367 4235 1 10 . 1 1 45 45 ASP CB C 45 42.593 42.593 42.618 -0.025 19367 4236 1 10 . 1 1 45 45 ASP H H 45 7.764 7.764 8.007 -0.243 19367 4237 1 10 . 1 1 46 46 VAL N N 46 119.385 119.385 121.876 -2.491 19367 4238 1 10 . 1 1 46 46 VAL HA H 46 3.233 3.233 3.809 -0.576 19367 4239 1 10 . 1 1 46 46 VAL CA C 46 68.546 68.546 68.161 0.385 19367 4240 1 10 . 1 1 46 46 VAL CB C 46 29.851 29.851 29.040 0.811 19367 4241 1 10 . 1 1 46 46 VAL H H 46 7.148 7.148 7.563 -0.415 19367 4242 1 10 . 1 1 47 47 PRO HA H 47 4.113 4.113 4.288 -0.175 19367 4243 1 10 . 1 1 47 47 PRO CA C 47 66.527 66.527 65.925 0.602 19367 4244 1 10 . 1 1 47 47 PRO CB C 47 28.496 28.496 31.224 -2.728 19367 4245 1 10 . 1 1 48 48 ASP N N 48 116.654 116.654 118.087 -1.433 19367 4246 1 10 . 1 1 48 48 ASP HA H 48 4.384 4.384 4.502 -0.118 19367 4247 1 10 . 1 1 48 48 ASP CA C 48 57.268 57.268 56.600 0.668 19367 4248 1 10 . 1 1 48 48 ASP CB C 48 40.657 40.657 41.011 -0.353 19367 4249 1 10 . 1 1 48 48 ASP H H 48 7.473 7.473 7.600 -0.127 19367 4250 1 10 . 1 1 49 49 VAL N N 49 121.848 121.848 119.291 2.557 19367 4251 1 10 . 1 1 49 49 VAL HA H 49 3.364 3.364 3.669 -0.305 19367 4252 1 10 . 1 1 49 49 VAL CA C 49 66.354 66.354 64.924 1.430 19367 4253 1 10 . 1 1 49 49 VAL CB C 49 30.961 30.961 31.437 -0.476 19367 4254 1 10 . 1 1 49 49 VAL H H 49 7.600 7.600 7.617 -0.017 19367 4255 1 10 . 1 1 50 50 VAL N N 50 119.961 119.961 120.657 -0.696 19367 4256 1 10 . 1 1 50 50 VAL HA H 50 3.176 3.176 3.561 -0.385 19367 4257 1 10 . 1 1 50 50 VAL CA C 50 67.270 67.270 66.881 0.389 19367 4258 1 10 . 1 1 50 50 VAL CB C 50 31.662 31.662 31.557 0.105 19367 4259 1 10 . 1 1 50 50 VAL H H 50 8.567 8.567 8.500 0.067 19367 4260 1 10 . 1 1 51 51 GLN N N 51 116.203 116.203 118.146 -1.943 19367 4261 1 10 . 1 1 51 51 GLN HA H 51 4.204 4.204 4.212 -0.008 19367 4262 1 10 . 1 1 51 51 GLN CA C 51 59.334 59.334 58.847 0.487 19367 4263 1 10 . 1 1 51 51 GLN CB C 51 28.717 28.717 28.540 0.177 19367 4264 1 10 . 1 1 51 51 GLN H H 51 7.802 7.802 7.750 0.052 19367 4265 1 10 . 1 1 52 52 GLU N N 52 119.616 119.616 119.896 -0.280 19367 4266 1 10 . 1 1 52 52 GLU HA H 52 4.085 4.085 4.211 -0.126 19367 4267 1 10 . 1 1 52 52 GLU CA C 52 59.267 59.267 58.107 1.160 19367 4268 1 10 . 1 1 52 52 GLU CB C 52 29.178 29.178 29.620 -0.442 19367 4269 1 10 . 1 1 52 52 GLU H H 52 7.880 7.880 7.683 0.197 19367 4270 1 10 . 1 1 53 53 ALA N N 53 120.964 120.964 122.397 -1.433 19367 4271 1 10 . 1 1 53 53 ALA HA H 53 3.713 3.713 4.141 -0.428 19367 4272 1 10 . 1 1 53 53 ALA CA C 53 55.176 55.176 54.330 0.847 19367 4273 1 10 . 1 1 53 53 ALA CB C 53 16.573 16.573 18.452 -1.879 19367 4274 1 10 . 1 1 53 53 ALA H H 53 8.381 8.381 7.435 0.946 19367 4275 1 10 . 1 1 54 54 PHE N N 54 113.370 113.370 117.384 -4.014 19367 4276 1 10 . 1 1 54 54 PHE HA H 54 4.329 4.329 4.576 -0.247 19367 4277 1 10 . 1 1 54 54 PHE CA C 54 63.496 63.496 61.204 2.292 19367 4278 1 10 . 1 1 54 54 PHE CB C 54 39.097 39.097 39.228 -0.131 19367 4279 1 10 . 1 1 54 54 PHE H H 54 7.942 7.942 8.024 -0.082 19367 4280 1 10 . 1 1 55 55 ILE N N 55 121.983 121.983 119.641 2.342 19367 4281 1 10 . 1 1 55 55 ILE HA H 55 3.946 3.946 3.941 0.005 19367 4282 1 10 . 1 1 55 55 ILE CA C 55 64.969 64.969 62.889 2.080 19367 4283 1 10 . 1 1 55 55 ILE CB C 55 37.589 37.589 37.491 0.098 19367 4284 1 10 . 1 1 55 55 ILE H H 55 8.373 8.373 7.788 0.585 19367 4285 1 10 . 1 1 56 56 LYS N N 56 120.661 120.661 120.772 -0.111 19367 4286 1 10 . 1 1 56 56 LYS HA H 56 3.860 3.860 4.153 -0.293 19367 4287 1 10 . 1 1 56 56 LYS CA C 56 59.835 59.835 58.399 1.436 19367 4288 1 10 . 1 1 56 56 LYS CB C 56 31.904 31.904 31.947 -0.043 19367 4289 1 10 . 1 1 56 56 LYS H H 56 8.318 8.318 7.687 0.631 19367 4290 1 10 . 1 1 57 57 ALA N N 57 119.884 119.884 122.110 -2.226 19367 4291 1 10 . 1 1 57 57 ALA HA H 57 3.784 3.784 4.177 -0.393 19367 4292 1 10 . 1 1 57 57 ALA CA C 57 54.552 54.552 54.729 -0.177 19367 4293 1 10 . 1 1 57 57 ALA CB C 57 18.251 18.251 18.472 -0.221 19367 4294 1 10 . 1 1 57 57 ALA H H 57 7.937 7.937 7.505 0.432 19367 4295 1 10 . 1 1 58 58 TYR N N 58 116.541 116.541 119.562 -3.021 19367 4296 1 10 . 1 1 58 58 TYR HA H 58 3.549 3.549 3.751 -0.202 19367 4297 1 10 . 1 1 58 58 TYR CA C 58 61.528 61.528 61.287 0.241 19367 4298 1 10 . 1 1 58 58 TYR CB C 58 37.885 37.885 38.425 -0.540 19367 4299 1 10 . 1 1 58 58 TYR H H 58 8.404 8.404 8.128 0.276 19367 4300 1 10 . 1 1 59 59 ARG N N 59 116.321 116.321 116.206 0.115 19367 4301 1 10 . 1 1 59 59 ARG HA H 59 3.791 3.791 4.195 -0.404 19367 4302 1 10 . 1 1 59 59 ARG CA C 59 58.500 58.500 56.991 1.509 19367 4303 1 10 . 1 1 59 59 ARG CB C 59 30.268 30.268 30.358 -0.090 19367 4304 1 10 . 1 1 59 59 ARG H H 59 8.404 8.404 7.816 0.588 19367 4305 1 10 . 1 1 60 60 ALA N N 60 118.867 118.867 120.731 -1.864 19367 4306 1 10 . 1 1 60 60 ALA HA H 60 4.879 4.879 4.600 0.279 19367 4307 1 10 . 1 1 60 60 ALA CA C 60 51.372 51.372 51.898 -0.526 19367 4308 1 10 . 1 1 60 60 ALA CB C 60 20.539 20.539 20.289 0.250 19367 4309 1 10 . 1 1 60 60 ALA H H 60 7.630 7.630 7.628 0.002 19367 4310 1 10 . 1 1 61 61 LEU N N 61 124.902 124.902 121.135 3.767 19367 4311 1 10 . 1 1 61 61 LEU HA H 61 4.094 4.094 4.132 -0.038 19367 4312 1 10 . 1 1 61 61 LEU CA C 61 58.442 58.442 57.387 1.055 19367 4313 1 10 . 1 1 61 61 LEU CB C 61 42.290 42.290 42.131 0.159 19367 4314 1 10 . 1 1 61 61 LEU H H 61 7.598 7.598 8.105 -0.507 19367 4315 1 10 . 1 1 62 62 ASP N N 62 117.094 117.094 118.597 -1.503 19367 4316 1 10 . 1 1 62 62 ASP HA H 62 4.345 4.345 4.492 -0.147 19367 4317 1 10 . 1 1 62 62 ASP CA C 62 56.690 56.690 55.919 0.771 19367 4318 1 10 . 1 1 62 62 ASP CB C 62 39.812 39.812 40.661 -0.849 19367 4319 1 10 . 1 1 62 62 ASP H H 62 8.686 8.686 8.828 -0.142 19367 4320 1 10 . 1 1 63 63 SER N N 63 112.854 112.854 114.307 -1.453 19367 4321 1 10 . 1 1 63 63 SER HA H 63 4.554 4.554 4.477 0.077 19367 4322 1 10 . 1 1 63 63 SER CA C 63 58.052 58.052 57.124 0.928 19367 4323 1 10 . 1 1 63 63 SER CB C 63 64.719 64.719 64.273 0.446 19367 4324 1 10 . 1 1 63 63 SER H H 63 7.969 7.969 7.366 0.603 19367 4325 1 10 . 1 1 64 64 PHE N N 64 125.623 125.623 124.714 0.909 19367 4326 1 10 . 1 1 64 64 PHE HA H 64 4.238 4.238 3.991 0.247 19367 4327 1 10 . 1 1 64 64 PHE CA C 64 56.826 56.826 58.607 -1.781 19367 4328 1 10 . 1 1 64 64 PHE CB C 64 38.210 38.210 39.322 -1.112 19367 4329 1 10 . 1 1 64 64 PHE H H 64 7.383 7.383 7.472 -0.089 19367 4330 1 10 . 1 1 65 65 ARG N N 65 133.273 133.273 124.084 9.189 19367 4331 1 10 . 1 1 65 65 ARG HA H 65 3.861 3.861 4.120 -0.259 19367 4332 1 10 . 1 1 65 65 ARG CA C 65 57.826 57.826 55.588 2.238 19367 4333 1 10 . 1 1 65 65 ARG CB C 65 31.054 31.054 30.639 0.415 19367 4334 1 10 . 1 1 65 65 ARG H H 65 10.968 10.968 7.755 3.213 19367 4335 1 10 . 1 1 66 66 GLY N N 66 103.283 103.283 106.595 -3.312 19367 4336 1 10 . 1 1 66 66 GLY CA C 66 46.309 46.309 44.806 1.503 19367 4337 1 10 . 1 1 66 66 GLY H H 66 5.673 5.673 6.189 -0.516 19367 4338 1 10 . 1 1 67 67 ASP N N 67 120.001 120.001 118.960 1.041 19367 4339 1 10 . 1 1 67 67 ASP HA H 67 4.551 4.551 4.513 0.038 19367 4340 1 10 . 1 1 67 67 ASP CA C 67 55.488 55.488 54.986 0.502 19367 4341 1 10 . 1 1 67 67 ASP CB C 67 40.655 40.655 40.885 -0.230 19367 4342 1 10 . 1 1 67 67 ASP H H 67 7.960 7.960 8.096 -0.136 19367 4343 1 10 . 1 1 68 68 SER N N 68 110.787 110.787 112.244 -1.457 19367 4344 1 10 . 1 1 68 68 SER HA H 68 4.633 4.633 4.629 0.004 19367 4345 1 10 . 1 1 68 68 SER CA C 68 56.762 56.762 57.567 -0.805 19367 4346 1 10 . 1 1 68 68 SER CB C 68 67.439 67.439 64.977 2.462 19367 4347 1 10 . 1 1 68 68 SER H H 68 7.692 7.692 7.383 0.309 19367 4348 1 10 . 1 1 69 69 ALA N N 69 122.464 122.464 124.022 -1.558 19367 4349 1 10 . 1 1 69 69 ALA HA H 69 4.692 4.692 4.413 0.279 19367 4350 1 10 . 1 1 69 69 ALA CA C 69 52.674 52.674 52.749 -0.075 19367 4351 1 10 . 1 1 69 69 ALA CB C 69 18.751 18.751 19.556 -0.805 19367 4352 1 10 . 1 1 69 69 ALA H H 69 9.726 9.726 8.646 1.080 19367 4353 1 10 . 1 1 70 70 PHE N N 70 127.188 127.188 122.138 5.050 19367 4354 1 10 . 1 1 70 70 PHE HA H 70 4.085 4.085 4.196 -0.111 19367 4355 1 10 . 1 1 70 70 PHE CA C 70 62.108 62.108 61.247 0.861 19367 4356 1 10 . 1 1 70 70 PHE CB C 70 39.054 39.054 39.736 -0.682 19367 4357 1 10 . 1 1 70 70 PHE H H 70 9.774 9.774 8.757 1.017 19367 4358 1 10 . 1 1 71 71 TYR N N 71 117.533 117.533 118.371 -0.838 19367 4359 1 10 . 1 1 71 71 TYR HA H 71 3.449 3.449 3.925 -0.476 19367 4360 1 10 . 1 1 71 71 TYR CA C 71 61.684 61.684 60.675 1.009 19367 4361 1 10 . 1 1 71 71 TYR CB C 71 37.072 37.072 37.904 -0.832 19367 4362 1 10 . 1 1 71 71 TYR H H 71 9.720 9.720 8.744 0.976 19367 4363 1 10 . 1 1 72 72 THR N N 72 114.574 114.574 116.844 -2.270 19367 4364 1 10 . 1 1 72 72 THR HA H 72 5.436 5.436 3.886 1.550 19367 4365 1 10 . 1 1 72 72 THR CA C 72 63.426 63.426 66.481 -3.055 19367 4366 1 10 . 1 1 72 72 THR CB C 72 68.762 68.762 68.475 0.287 19367 4367 1 10 . 1 1 72 72 THR H H 72 6.675 6.675 7.708 -1.033 19367 4368 1 10 . 1 1 73 73 TRP N N 73 123.561 123.561 122.904 0.657 19367 4369 1 10 . 1 1 73 73 TRP HA H 73 3.956 3.956 4.512 -0.556 19367 4370 1 10 . 1 1 73 73 TRP CA C 73 62.112 62.112 60.121 1.991 19367 4371 1 10 . 1 1 73 73 TRP CB C 73 28.971 28.971 29.500 -0.529 19367 4372 1 10 . 1 1 73 73 TRP H H 73 6.924 6.924 7.423 -0.499 19367 4373 1 10 . 1 1 74 74 LEU N N 74 118.760 118.760 121.319 -2.559 19367 4374 1 10 . 1 1 74 74 LEU HA H 74 2.960 2.960 3.358 -0.398 19367 4375 1 10 . 1 1 74 74 LEU CA C 74 57.105 57.105 56.854 0.251 19367 4376 1 10 . 1 1 74 74 LEU CB C 74 41.503 41.503 41.379 0.124 19367 4377 1 10 . 1 1 74 74 LEU H H 74 7.903 7.903 7.666 0.237 19367 4378 1 10 . 1 1 75 75 TYR N N 75 119.616 119.616 118.803 0.813 19367 4379 1 10 . 1 1 75 75 TYR HA H 75 2.928 2.928 3.725 -0.797 19367 4380 1 10 . 1 1 75 75 TYR CA C 75 60.187 60.187 61.479 -1.292 19367 4381 1 10 . 1 1 75 75 TYR CB C 75 37.987 37.987 38.030 -0.043 19367 4382 1 10 . 1 1 75 75 TYR H H 75 8.717 8.717 8.148 0.569 19367 4383 1 10 . 1 1 76 76 ARG N N 76 116.789 116.789 118.770 -1.981 19367 4384 1 10 . 1 1 76 76 ARG HA H 76 3.634 3.634 4.038 -0.404 19367 4385 1 10 . 1 1 76 76 ARG CA C 76 56.003 56.003 58.334 -2.331 19367 4386 1 10 . 1 1 76 76 ARG CB C 76 27.476 27.476 29.358 -1.882 19367 4387 1 10 . 1 1 76 76 ARG H H 76 6.809 6.809 7.458 -0.649 19367 4388 1 10 . 1 1 77 77 ILE N N 77 117.721 117.721 119.350 -1.629 19367 4389 1 10 . 1 1 77 77 ILE HA H 77 2.853 2.853 3.527 -0.674 19367 4390 1 10 . 1 1 77 77 ILE CA C 77 65.599 65.599 64.674 0.925 19367 4391 1 10 . 1 1 77 77 ILE CB C 77 36.937 36.937 37.357 -0.420 19367 4392 1 10 . 1 1 77 77 ILE H H 77 7.316 7.316 7.205 0.111 19367 4393 1 10 . 1 1 78 78 ALA N N 78 125.528 125.528 123.111 2.417 19367 4394 1 10 . 1 1 78 78 ALA HA H 78 3.369 3.369 3.833 -0.464 19367 4395 1 10 . 1 1 78 78 ALA CA C 78 55.876 55.876 54.951 0.925 19367 4396 1 10 . 1 1 78 78 ALA CB C 78 17.833 17.833 18.081 -0.248 19367 4397 1 10 . 1 1 78 78 ALA H H 78 8.788 8.788 7.778 1.010 19367 4398 1 10 . 1 1 79 79 VAL N N 79 117.392 117.392 117.367 0.025 19367 4399 1 10 . 1 1 79 79 VAL HA H 79 2.819 2.819 3.367 -0.548 19367 4400 1 10 . 1 1 79 79 VAL CA C 79 67.174 67.174 65.049 2.125 19367 4401 1 10 . 1 1 79 79 VAL CB C 79 31.642 31.642 31.784 -0.142 19367 4402 1 10 . 1 1 79 79 VAL H H 79 8.046 8.046 7.524 0.522 19367 4403 1 10 . 1 1 80 80 ASN N N 80 117.152 117.152 116.900 0.252 19367 4404 1 10 . 1 1 80 80 ASN HA H 80 4.368 4.368 4.542 -0.174 19367 4405 1 10 . 1 1 80 80 ASN CA C 80 55.630 55.630 54.987 0.643 19367 4406 1 10 . 1 1 80 80 ASN CB C 80 36.752 36.752 37.966 -1.214 19367 4407 1 10 . 1 1 80 80 ASN H H 80 8.146 8.146 7.789 0.357 19367 4408 1 10 . 1 1 81 81 THR N N 81 119.140 119.140 117.574 1.566 19367 4409 1 10 . 1 1 81 81 THR HA H 81 3.795 3.795 4.116 -0.321 19367 4410 1 10 . 1 1 81 81 THR CA C 81 67.441 67.441 66.307 1.134 19367 4411 1 10 . 1 1 81 81 THR CB C 81 68.102 68.102 68.674 -0.572 19367 4412 1 10 . 1 1 81 81 THR H H 81 8.320 8.320 7.838 0.482 19367 4413 1 10 . 1 1 82 82 ALA N N 82 124.957 124.957 123.390 1.567 19367 4414 1 10 . 1 1 82 82 ALA HA H 82 3.789 3.789 4.071 -0.282 19367 4415 1 10 . 1 1 82 82 ALA CA C 82 55.415 55.415 54.812 0.603 19367 4416 1 10 . 1 1 82 82 ALA CB C 82 18.020 18.020 18.372 -0.352 19367 4417 1 10 . 1 1 82 82 ALA H H 82 8.037 8.037 7.728 0.309 19367 4418 1 10 . 1 1 83 83 LYS N N 83 116.190 116.190 117.142 -0.952 19367 4419 1 10 . 1 1 83 83 LYS HA H 83 3.815 3.815 4.047 -0.232 19367 4420 1 10 . 1 1 83 83 LYS CA C 83 60.160 60.160 58.952 1.208 19367 4421 1 10 . 1 1 83 83 LYS CB C 83 32.312 32.312 32.497 -0.185 19367 4422 1 10 . 1 1 83 83 LYS H H 83 8.314 8.314 7.922 0.392 19367 4423 1 10 . 1 1 84 84 ASN N N 84 117.083 117.083 117.422 -0.339 19367 4424 1 10 . 1 1 84 84 ASN HA H 84 4.486 4.486 4.544 -0.058 19367 4425 1 10 . 1 1 84 84 ASN CA C 84 55.213 55.213 54.891 0.322 19367 4426 1 10 . 1 1 84 84 ASN CB C 84 38.461 38.461 38.266 0.195 19367 4427 1 10 . 1 1 84 84 ASN H H 84 8.004 8.004 7.726 0.278 19367 4428 1 10 . 1 1 85 85 TYR N N 85 122.935 122.935 121.527 1.408 19367 4429 1 10 . 1 1 85 85 TYR HA H 85 4.147 4.147 4.270 -0.123 19367 4430 1 10 . 1 1 85 85 TYR CA C 85 61.408 61.408 61.439 -0.031 19367 4431 1 10 . 1 1 85 85 TYR CB C 85 38.428 38.428 38.653 -0.225 19367 4432 1 10 . 1 1 85 85 TYR H H 85 7.935 7.935 7.545 0.390 19367 4433 1 10 . 1 1 86 86 LEU N N 86 119.119 119.119 117.982 1.137 19367 4434 1 10 . 1 1 86 86 LEU HA H 86 3.998 3.998 3.917 0.081 19367 4435 1 10 . 1 1 86 86 LEU CA C 86 57.647 57.647 57.291 0.355 19367 4436 1 10 . 1 1 86 86 LEU CB C 86 41.906 41.906 41.792 0.114 19367 4437 1 10 . 1 1 86 86 LEU H H 86 7.810 7.810 7.402 0.408 19367 4438 1 10 . 1 1 87 87 VAL N N 87 118.991 118.991 118.777 0.214 19367 4439 1 10 . 1 1 87 87 VAL HA H 87 3.806 3.806 3.833 -0.027 19367 4440 1 10 . 1 1 87 87 VAL CA C 87 64.989 64.989 63.844 1.145 19367 4441 1 10 . 1 1 87 87 VAL CB C 87 32.126 32.126 31.926 0.200 19367 4442 1 10 . 1 1 87 87 VAL H H 87 7.701 7.701 7.448 0.253 19367 4443 1 10 . 1 1 88 88 ALA N N 88 123.643 123.643 121.388 2.255 19367 4444 1 10 . 1 1 88 88 ALA HA H 88 4.088 4.088 4.107 -0.019 19367 4445 1 10 . 1 1 88 88 ALA CA C 88 54.188 54.188 54.503 -0.315 19367 4446 1 10 . 1 1 88 88 ALA CB C 88 18.460 18.460 18.596 -0.136 19367 4447 1 10 . 1 1 88 88 ALA H H 88 7.978 7.978 7.430 0.548 19367 4448 1 10 . 1 1 89 89 GLN N N 89 116.659 116.659 114.953 1.706 19367 4449 1 10 . 1 1 89 89 GLN HA H 89 4.024 4.024 4.354 -0.330 19367 4450 1 10 . 1 1 89 89 GLN CA C 89 56.818 56.818 56.272 0.546 19367 4451 1 10 . 1 1 89 89 GLN CB C 89 28.776 28.776 29.661 -0.885 19367 4452 1 10 . 1 1 89 89 GLN H H 89 7.974 7.974 7.576 0.398 19367 4453 1 10 . 1 1 90 90 GLY N N 90 107.464 107.464 108.073 -0.609 19367 4454 1 10 . 1 1 90 90 GLY CA C 90 45.782 45.782 45.987 -0.205 19367 4455 1 10 . 1 1 90 90 GLY H H 90 7.967 7.967 7.781 0.186 19367 4456 1 10 . 1 1 91 91 ARG N N 91 119.736 119.736 118.582 1.154 19367 4457 1 10 . 1 1 91 91 ARG HA H 91 4.299 4.299 4.565 -0.266 19367 4458 1 10 . 1 1 91 91 ARG CA C 91 56.216 56.216 54.415 1.801 19367 4459 1 10 . 1 1 91 91 ARG CB C 91 30.805 30.805 30.394 0.411 19367 4460 1 10 . 1 1 91 91 ARG H H 91 7.824 7.824 7.569 0.255 19367 4461 1 10 . 1 1 92 92 ARG N N 92 120.592 120.592 121.319 -0.727 19367 4462 1 10 . 1 1 92 92 ARG HA H 92 4.270 4.270 4.114 0.156 19367 4463 1 10 . 1 1 92 92 ARG CA C 92 56.451 56.451 58.920 -2.469 19367 4464 1 10 . 1 1 92 92 ARG CB C 92 30.658 30.658 29.934 0.724 19367 4465 1 10 . 1 1 92 92 ARG H H 92 8.038 8.038 7.269 0.769 19367 4466 1 10 . 1 1 93 93 LEU N N 93 122.274 122.274 117.257 5.017 19367 4467 1 10 . 1 1 93 93 LEU HA H 93 4.258 4.258 4.563 -0.305 19367 4468 1 10 . 1 1 93 93 LEU CA C 93 55.463 55.463 55.462 0.001 19367 4469 1 10 . 1 1 93 93 LEU CB C 93 42.203 42.203 42.343 -0.140 19367 4470 1 10 . 1 1 93 93 LEU H H 93 8.147 8.147 7.641 0.506 19367 4471 1 10 . 1 1 94 94 GLU N N 94 120.794 120.794 118.973 1.821 19367 4472 1 10 . 1 1 94 94 GLU HA H 94 4.249 4.249 4.435 -0.186 19367 4473 1 10 . 1 1 94 94 GLU CA C 94 56.557 56.557 56.622 -0.065 19367 4474 1 10 . 1 1 94 94 GLU CB C 94 30.103 30.103 30.765 -0.662 19367 4475 1 10 . 1 1 94 94 GLU H H 94 8.241 8.241 7.718 0.523 19367 4476 1 10 . 1 1 95 95 LEU N N 95 122.290 122.290 119.226 3.064 19367 4477 1 10 . 1 1 95 95 LEU HA H 95 4.312 4.312 4.582 -0.270 19367 4478 1 10 . 1 1 95 95 LEU CA C 95 55.080 55.080 54.990 0.090 19367 4479 1 10 . 1 1 95 95 LEU CB C 95 42.130 42.130 43.997 -1.867 19367 4480 1 10 . 1 1 95 95 LEU H H 95 8.068 8.068 7.755 0.313 19367 4481 1 11 . 1 1 4 4 GLN N N 4 121.848 121.848 116.560 5.288 19367 4482 1 11 . 1 1 4 4 GLN HA H 4 4.307 4.307 3.962 0.345 19367 4483 1 11 . 1 1 4 4 GLN CA C 4 55.724 55.724 56.049 -0.325 19367 4484 1 11 . 1 1 4 4 GLN CB C 4 29.297 29.297 28.580 0.717 19367 4485 1 11 . 1 1 4 4 GLN H H 4 8.500 8.500 7.495 1.005 19367 4486 1 11 . 1 1 5 5 LEU N N 5 124.347 124.347 122.432 1.915 19367 4487 1 11 . 1 1 5 5 LEU HA H 5 4.548 4.548 4.521 0.027 19367 4488 1 11 . 1 1 5 5 LEU CA C 5 53.785 53.785 54.084 -0.299 19367 4489 1 11 . 1 1 5 5 LEU CB C 5 41.886 41.886 40.169 1.717 19367 4490 1 11 . 1 1 5 5 LEU H H 5 8.565 8.565 8.431 0.134 19367 4491 1 11 . 1 1 6 6 THR N N 6 114.442 114.442 112.190 2.252 19367 4492 1 11 . 1 1 6 6 THR HA H 6 4.353 4.353 4.311 0.042 19367 4493 1 11 . 1 1 6 6 THR CA C 6 61.195 61.195 60.584 0.611 19367 4494 1 11 . 1 1 6 6 THR CB C 6 70.541 70.541 70.761 -0.220 19367 4495 1 11 . 1 1 6 6 THR H H 6 7.950 7.950 7.571 0.379 19367 4496 1 11 . 1 1 7 7 ASP N N 7 120.959 120.959 117.833 3.126 19367 4497 1 11 . 1 1 7 7 ASP HA H 7 4.197 4.197 4.267 -0.070 19367 4498 1 11 . 1 1 7 7 ASP CA C 7 57.820 57.820 56.967 0.853 19367 4499 1 11 . 1 1 7 7 ASP CB C 7 39.621 39.621 40.069 -0.448 19367 4500 1 11 . 1 1 7 7 ASP H H 7 9.008 9.008 9.044 -0.036 19367 4501 1 11 . 1 1 8 8 GLN N N 8 116.649 116.649 120.114 -3.465 19367 4502 1 11 . 1 1 8 8 GLN HA H 8 4.012 4.012 4.160 -0.148 19367 4503 1 11 . 1 1 8 8 GLN CA C 8 59.746 59.746 58.567 1.179 19367 4504 1 11 . 1 1 8 8 GLN CB C 8 28.188 28.188 28.799 -0.612 19367 4505 1 11 . 1 1 8 8 GLN H H 8 8.561 8.561 7.654 0.907 19367 4506 1 11 . 1 1 9 9 VAL N N 9 120.579 120.579 115.916 4.663 19367 4507 1 11 . 1 1 9 9 VAL HA H 9 3.760 3.760 3.999 -0.239 19367 4508 1 11 . 1 1 9 9 VAL CA C 9 66.108 66.108 64.799 1.309 19367 4509 1 11 . 1 1 9 9 VAL CB C 9 31.558 31.558 31.704 -0.146 19367 4510 1 11 . 1 1 9 9 VAL H H 9 7.450 7.450 7.458 -0.008 19367 4511 1 11 . 1 1 10 10 LEU N N 10 119.806 119.806 121.595 -1.789 19367 4512 1 11 . 1 1 10 10 LEU HA H 10 3.917 3.917 4.184 -0.267 19367 4513 1 11 . 1 1 10 10 LEU CA C 10 58.415 58.415 57.808 0.607 19367 4514 1 11 . 1 1 10 10 LEU CB C 10 41.299 41.299 41.858 -0.560 19367 4515 1 11 . 1 1 10 10 LEU H H 10 7.865 7.865 7.521 0.344 19367 4516 1 11 . 1 1 11 11 VAL N N 11 119.041 119.041 118.287 0.754 19367 4517 1 11 . 1 1 11 11 VAL HA H 11 3.280 3.280 3.577 -0.297 19367 4518 1 11 . 1 1 11 11 VAL CA C 11 67.631 67.631 66.322 1.309 19367 4519 1 11 . 1 1 11 11 VAL CB C 11 31.723 31.723 31.093 0.630 19367 4520 1 11 . 1 1 11 11 VAL H H 11 8.734 8.734 7.752 0.982 19367 4521 1 11 . 1 1 12 12 GLU N N 12 119.018 119.018 118.903 0.115 19367 4522 1 11 . 1 1 12 12 GLU HA H 12 4.110 4.110 4.110 -0.000 19367 4523 1 11 . 1 1 12 12 GLU CA C 12 59.514 59.514 58.814 0.700 19367 4524 1 11 . 1 1 12 12 GLU CB C 12 28.603 28.603 29.235 -0.631 19367 4525 1 11 . 1 1 12 12 GLU H H 12 7.802 7.802 7.547 0.255 19367 4526 1 11 . 1 1 13 13 ARG N N 13 117.242 117.242 120.269 -3.027 19367 4527 1 11 . 1 1 13 13 ARG HA H 13 4.011 4.011 4.161 -0.150 19367 4528 1 11 . 1 1 13 13 ARG CA C 13 60.016 60.016 59.051 0.965 19367 4529 1 11 . 1 1 13 13 ARG CB C 13 27.737 27.737 30.288 -2.550 19367 4530 1 11 . 1 1 13 13 ARG H H 13 8.107 8.107 7.851 0.256 19367 4531 1 11 . 1 1 14 14 VAL N N 14 121.430 121.430 119.227 2.203 19367 4532 1 11 . 1 1 14 14 VAL HA H 14 3.767 3.767 4.096 -0.329 19367 4533 1 11 . 1 1 14 14 VAL CA C 14 66.462 66.462 65.137 1.325 19367 4534 1 11 . 1 1 14 14 VAL CB C 14 31.616 31.616 31.855 -0.239 19367 4535 1 11 . 1 1 14 14 VAL H H 14 8.435 8.435 7.519 0.916 19367 4536 1 11 . 1 1 15 15 GLN N N 15 120.667 120.667 118.664 2.003 19367 4537 1 11 . 1 1 15 15 GLN HA H 15 4.088 4.088 4.131 -0.043 19367 4538 1 11 . 1 1 15 15 GLN CA C 15 58.628 58.628 58.098 0.530 19367 4539 1 11 . 1 1 15 15 GLN CB C 15 27.995 27.995 28.579 -0.584 19367 4540 1 11 . 1 1 15 15 GLN H H 15 8.670 8.670 7.702 0.968 19367 4541 1 11 . 1 1 16 16 LYS N N 16 116.797 116.797 117.903 -1.106 19367 4542 1 11 . 1 1 16 16 LYS HA H 16 4.374 4.374 4.305 0.069 19367 4543 1 11 . 1 1 16 16 LYS CA C 16 56.278 56.278 56.225 0.053 19367 4544 1 11 . 1 1 16 16 LYS CB C 16 32.299 32.299 32.479 -0.180 19367 4545 1 11 . 1 1 16 16 LYS H H 16 7.700 7.700 7.683 0.017 19367 4546 1 11 . 1 1 17 17 GLY N N 17 107.001 107.001 107.971 -0.970 19367 4547 1 11 . 1 1 17 17 GLY CA C 17 45.608 45.608 44.932 0.676 19367 4548 1 11 . 1 1 17 17 GLY H H 17 7.927 7.927 7.770 0.157 19367 4549 1 11 . 1 1 18 18 ASP N N 18 121.666 121.666 121.854 -0.188 19367 4550 1 11 . 1 1 18 18 ASP HA H 18 4.769 4.769 4.713 0.056 19367 4551 1 11 . 1 1 18 18 ASP CA C 18 52.999 52.999 53.868 -0.869 19367 4552 1 11 . 1 1 18 18 ASP CB C 18 40.814 40.814 41.287 -0.473 19367 4553 1 11 . 1 1 18 18 ASP H H 18 8.255 8.255 7.607 0.648 19367 4554 1 11 . 1 1 19 19 GLN N N 19 124.874 124.874 125.662 -0.788 19367 4555 1 11 . 1 1 19 19 GLN HA H 19 4.150 4.150 4.349 -0.199 19367 4556 1 11 . 1 1 19 19 GLN CA C 19 58.922 58.922 58.090 0.832 19367 4557 1 11 . 1 1 19 19 GLN CB C 19 28.759 28.759 29.022 -0.263 19367 4558 1 11 . 1 1 19 19 GLN H H 19 8.392 8.392 8.669 -0.277 19367 4559 1 11 . 1 1 20 20 LYS N N 20 119.006 119.006 118.960 0.046 19367 4560 1 11 . 1 1 20 20 LYS HA H 20 4.118 4.118 4.170 -0.052 19367 4561 1 11 . 1 1 20 20 LYS CA C 20 58.642 58.642 58.172 0.470 19367 4562 1 11 . 1 1 20 20 LYS CB C 20 31.678 31.678 32.101 -0.423 19367 4563 1 11 . 1 1 20 20 LYS H H 20 8.348 8.348 8.092 0.256 19367 4564 1 11 . 1 1 21 21 ALA N N 21 121.687 121.687 121.687 0.000 19367 4565 1 11 . 1 1 21 21 ALA HA H 21 4.010 4.010 4.176 -0.166 19367 4566 1 11 . 1 1 21 21 ALA CA C 21 54.485 54.485 54.710 -0.225 19367 4567 1 11 . 1 1 21 21 ALA CB C 21 18.634 18.634 18.166 0.468 19367 4568 1 11 . 1 1 21 21 ALA H H 21 7.500 7.500 8.252 -0.752 19367 4569 1 11 . 1 1 22 22 PHE N N 22 117.219 117.219 118.767 -1.548 19367 4570 1 11 . 1 1 22 22 PHE HA H 22 3.994 3.994 4.238 -0.244 19367 4571 1 11 . 1 1 22 22 PHE CA C 22 61.907 61.907 60.716 1.191 19367 4572 1 11 . 1 1 22 22 PHE CB C 22 38.571 38.571 39.554 -0.983 19367 4573 1 11 . 1 1 22 22 PHE H H 22 7.810 7.810 7.778 0.032 19367 4574 1 11 . 1 1 23 23 ASN N N 23 115.600 115.600 118.978 -3.378 19367 4575 1 11 . 1 1 23 23 ASN HA H 23 4.163 4.163 4.326 -0.163 19367 4576 1 11 . 1 1 23 23 ASN CA C 23 56.264 56.264 56.428 -0.164 19367 4577 1 11 . 1 1 23 23 ASN CB C 23 38.131 38.131 38.449 -0.318 19367 4578 1 11 . 1 1 23 23 ASN H H 23 7.711 7.711 7.709 0.002 19367 4579 1 11 . 1 1 24 24 LEU N N 24 117.605 117.605 119.376 -1.771 19367 4580 1 11 . 1 1 24 24 LEU HA H 24 3.999 3.999 4.131 -0.132 19367 4581 1 11 . 1 1 24 24 LEU CA C 24 57.811 57.811 57.111 0.700 19367 4582 1 11 . 1 1 24 24 LEU CB C 24 41.367 41.367 40.961 0.406 19367 4583 1 11 . 1 1 24 24 LEU H H 24 7.344 7.344 7.590 -0.246 19367 4584 1 11 . 1 1 25 25 LEU N N 25 120.426 120.426 120.548 -0.122 19367 4585 1 11 . 1 1 25 25 LEU HA H 25 3.938 3.938 4.076 -0.138 19367 4586 1 11 . 1 1 25 25 LEU CA C 25 57.863 57.863 57.440 0.423 19367 4587 1 11 . 1 1 25 25 LEU CB C 25 41.479 41.479 41.603 -0.124 19367 4588 1 11 . 1 1 25 25 LEU H H 25 7.036 7.036 7.224 -0.188 19367 4589 1 11 . 1 1 26 26 VAL N N 26 119.676 119.676 119.254 0.422 19367 4590 1 11 . 1 1 26 26 VAL HA H 26 2.857 2.857 2.824 0.033 19367 4591 1 11 . 1 1 26 26 VAL CA C 26 65.821 65.821 66.176 -0.355 19367 4592 1 11 . 1 1 26 26 VAL CB C 26 30.816 30.816 30.615 0.201 19367 4593 1 11 . 1 1 26 26 VAL H H 26 7.369 7.369 7.562 -0.193 19367 4594 1 11 . 1 1 27 27 VAL N N 27 117.098 117.098 118.074 -0.976 19367 4595 1 11 . 1 1 27 27 VAL HA H 27 3.542 3.542 3.540 0.002 19367 4596 1 11 . 1 1 27 27 VAL CA C 27 65.837 65.837 65.749 0.088 19367 4597 1 11 . 1 1 27 27 VAL CB C 27 31.728 31.728 31.219 0.509 19367 4598 1 11 . 1 1 27 27 VAL H H 27 7.816 7.816 7.660 0.156 19367 4599 1 11 . 1 1 28 28 ARG N N 28 118.592 118.592 119.133 -0.541 19367 4600 1 11 . 1 1 28 28 ARG HA H 28 3.838 3.838 3.963 -0.125 19367 4601 1 11 . 1 1 28 28 ARG CA C 28 59.356 59.356 58.513 0.843 19367 4602 1 11 . 1 1 28 28 ARG CB C 28 31.069 31.069 30.298 0.771 19367 4603 1 11 . 1 1 28 28 ARG H H 28 7.491 7.491 7.376 0.115 19367 4604 1 11 . 1 1 29 29 TYR N N 29 112.635 112.635 116.346 -3.711 19367 4605 1 11 . 1 1 29 29 TYR HA H 29 4.945 4.945 4.938 0.007 19367 4606 1 11 . 1 1 29 29 TYR CA C 29 60.438 60.438 57.969 2.469 19367 4607 1 11 . 1 1 29 29 TYR CB C 29 40.619 40.619 39.433 1.186 19367 4608 1 11 . 1 1 29 29 TYR H H 29 7.675 7.675 7.462 0.213 19367 4609 1 11 . 1 1 30 30 GLN N N 30 123.043 123.043 121.384 1.659 19367 4610 1 11 . 1 1 30 30 GLN HA H 30 4.119 4.119 4.301 -0.182 19367 4611 1 11 . 1 1 30 30 GLN CA C 30 61.409 61.409 59.709 1.700 19367 4612 1 11 . 1 1 30 30 GLN CB C 30 26.933 26.933 27.803 -0.870 19367 4613 1 11 . 1 1 30 30 GLN H H 30 9.056 9.056 8.185 0.871 19367 4614 1 11 . 1 1 31 31 HIS N N 31 118.704 118.704 117.727 0.977 19367 4615 1 11 . 1 1 31 31 HIS HA H 31 4.435 4.435 4.595 -0.160 19367 4616 1 11 . 1 1 31 31 HIS CA C 31 59.580 59.580 58.065 1.515 19367 4617 1 11 . 1 1 31 31 HIS CB C 31 29.396 29.396 29.868 -0.472 19367 4618 1 11 . 1 1 31 31 HIS H H 31 8.616 8.616 8.374 0.242 19367 4619 1 11 . 1 1 32 32 LYS N N 32 122.594 122.594 120.812 1.782 19367 4620 1 11 . 1 1 32 32 LYS HA H 32 4.029 4.029 4.297 -0.268 19367 4621 1 11 . 1 1 32 32 LYS CA C 32 59.869 59.869 58.938 0.931 19367 4622 1 11 . 1 1 32 32 LYS CB C 32 32.580 32.580 32.627 -0.047 19367 4623 1 11 . 1 1 32 32 LYS H H 32 7.848 7.848 7.664 0.184 19367 4624 1 11 . 1 1 33 33 VAL N N 33 119.621 119.621 119.467 0.154 19367 4625 1 11 . 1 1 33 33 VAL HA H 33 3.480 3.480 3.945 -0.465 19367 4626 1 11 . 1 1 33 33 VAL CA C 33 66.671 66.671 64.133 2.538 19367 4627 1 11 . 1 1 33 33 VAL CB C 33 31.142 31.142 32.161 -1.019 19367 4628 1 11 . 1 1 33 33 VAL H H 33 8.653 8.653 8.633 0.020 19367 4629 1 11 . 1 1 34 34 ALA N N 34 122.622 122.622 122.098 0.524 19367 4630 1 11 . 1 1 34 34 ALA HA H 34 3.736 3.736 4.067 -0.331 19367 4631 1 11 . 1 1 34 34 ALA CA C 34 55.762 55.762 55.288 0.474 19367 4632 1 11 . 1 1 34 34 ALA CB C 34 17.681 17.681 18.158 -0.477 19367 4633 1 11 . 1 1 34 34 ALA H H 34 8.498 8.498 7.785 0.713 19367 4634 1 11 . 1 1 35 35 SER N N 35 113.674 113.674 114.261 -0.587 19367 4635 1 11 . 1 1 35 35 SER HA H 35 4.040 4.040 4.289 -0.249 19367 4636 1 11 . 1 1 35 35 SER CA C 35 61.765 61.765 61.650 0.115 19367 4637 1 11 . 1 1 35 35 SER CB C 35 62.766 62.766 63.116 -0.350 19367 4638 1 11 . 1 1 35 35 SER H H 35 7.897 7.897 7.809 0.088 19367 4639 1 11 . 1 1 36 36 LEU N N 36 123.203 123.203 122.357 0.846 19367 4640 1 11 . 1 1 36 36 LEU HA H 36 3.992 3.992 4.259 -0.267 19367 4641 1 11 . 1 1 36 36 LEU CA C 36 57.863 57.863 57.415 0.448 19367 4642 1 11 . 1 1 36 36 LEU CB C 36 42.718 42.718 41.939 0.779 19367 4643 1 11 . 1 1 36 36 LEU H H 36 7.494 7.494 7.302 0.192 19367 4644 1 11 . 1 1 37 37 VAL N N 37 114.122 114.122 115.653 -1.531 19367 4645 1 11 . 1 1 37 37 VAL HA H 37 3.627 3.627 4.138 -0.511 19367 4646 1 11 . 1 1 37 37 VAL CA C 37 65.879 65.879 64.898 0.981 19367 4647 1 11 . 1 1 37 37 VAL CB C 37 31.214 31.214 30.427 0.787 19367 4648 1 11 . 1 1 37 37 VAL H H 37 8.530 8.530 8.197 0.333 19367 4649 1 11 . 1 1 38 38 SER N N 38 116.259 116.259 117.290 -1.031 19367 4650 1 11 . 1 1 38 38 SER HA H 38 4.276 4.276 4.220 0.056 19367 4651 1 11 . 1 1 38 38 SER CA C 38 60.898 60.898 61.086 -0.188 19367 4652 1 11 . 1 1 38 38 SER CB C 38 63.143 63.143 63.027 0.116 19367 4653 1 11 . 1 1 38 38 SER H H 38 8.136 8.136 7.820 0.316 19367 4654 1 11 . 1 1 39 39 ARG N N 39 119.029 119.029 118.495 0.534 19367 4655 1 11 . 1 1 39 39 ARG HA H 39 3.995 3.995 3.973 0.022 19367 4656 1 11 . 1 1 39 39 ARG CA C 39 57.640 57.640 57.558 0.082 19367 4657 1 11 . 1 1 39 39 ARG CB C 39 29.719 29.719 30.035 -0.316 19367 4658 1 11 . 1 1 39 39 ARG H H 39 7.310 7.310 7.200 0.110 19367 4659 1 11 . 1 1 40 40 TYR N N 40 114.123 114.123 115.358 -1.235 19367 4660 1 11 . 1 1 40 40 TYR HA H 40 4.472 4.472 4.685 -0.213 19367 4661 1 11 . 1 1 40 40 TYR CA C 40 59.298 59.298 57.843 1.455 19367 4662 1 11 . 1 1 40 40 TYR CB C 40 42.809 42.809 40.984 1.825 19367 4663 1 11 . 1 1 40 40 TYR H H 40 7.786 7.786 7.730 0.056 19367 4664 1 11 . 1 1 41 41 VAL N N 41 112.721 112.721 114.391 -1.670 19367 4665 1 11 . 1 1 41 41 VAL HA H 41 4.853 4.853 4.720 0.133 19367 4666 1 11 . 1 1 41 41 VAL CA C 41 57.942 57.942 58.305 -0.363 19367 4667 1 11 . 1 1 41 41 VAL CB C 41 33.171 33.171 33.051 0.120 19367 4668 1 11 . 1 1 41 41 VAL H H 41 7.388 7.388 7.712 -0.324 19367 4669 1 11 . 1 1 42 42 PRO HA H 42 4.415 4.415 4.616 -0.201 19367 4670 1 11 . 1 1 42 42 PRO CA C 42 62.645 62.645 63.267 -0.622 19367 4671 1 11 . 1 1 42 42 PRO CB C 42 32.603 32.603 32.604 -0.001 19367 4672 1 11 . 1 1 43 43 SER N N 43 116.784 116.784 116.450 0.334 19367 4673 1 11 . 1 1 43 43 SER HA H 43 4.009 4.009 4.202 -0.193 19367 4674 1 11 . 1 1 43 43 SER CA C 43 62.098 62.098 60.149 1.949 19367 4675 1 11 . 1 1 43 43 SER CB C 43 62.862 62.862 62.991 -0.129 19367 4676 1 11 . 1 1 43 43 SER H H 43 8.602 8.602 8.574 0.028 19367 4677 1 11 . 1 1 44 44 GLY N N 44 107.756 107.756 107.923 -0.167 19367 4678 1 11 . 1 1 44 44 GLY CA C 44 46.503 46.503 45.645 0.858 19367 4679 1 11 . 1 1 44 44 GLY H H 44 8.812 8.812 8.241 0.571 19367 4680 1 11 . 1 1 45 45 ASP N N 45 117.822 117.822 120.178 -2.356 19367 4681 1 11 . 1 1 45 45 ASP HA H 45 4.875 4.875 4.848 0.027 19367 4682 1 11 . 1 1 45 45 ASP CA C 45 54.770 54.770 54.192 0.578 19367 4683 1 11 . 1 1 45 45 ASP CB C 45 42.593 42.593 42.604 -0.011 19367 4684 1 11 . 1 1 45 45 ASP H H 45 7.764 7.764 8.079 -0.315 19367 4685 1 11 . 1 1 46 46 VAL N N 46 119.385 119.385 122.107 -2.722 19367 4686 1 11 . 1 1 46 46 VAL HA H 46 3.233 3.233 3.740 -0.507 19367 4687 1 11 . 1 1 46 46 VAL CA C 46 68.546 68.546 69.104 -0.558 19367 4688 1 11 . 1 1 46 46 VAL CB C 46 29.851 29.851 29.759 0.092 19367 4689 1 11 . 1 1 46 46 VAL H H 46 7.148 7.148 7.468 -0.320 19367 4690 1 11 . 1 1 47 47 PRO HA H 47 4.113 4.113 4.259 -0.146 19367 4691 1 11 . 1 1 47 47 PRO CA C 47 66.527 66.527 65.977 0.550 19367 4692 1 11 . 1 1 47 47 PRO CB C 47 28.496 28.496 31.255 -2.759 19367 4693 1 11 . 1 1 48 48 ASP N N 48 116.654 116.654 118.770 -2.116 19367 4694 1 11 . 1 1 48 48 ASP HA H 48 4.384 4.384 4.482 -0.098 19367 4695 1 11 . 1 1 48 48 ASP CA C 48 57.268 57.268 56.775 0.493 19367 4696 1 11 . 1 1 48 48 ASP CB C 48 40.657 40.657 40.610 0.047 19367 4697 1 11 . 1 1 48 48 ASP H H 48 7.473 7.473 8.025 -0.552 19367 4698 1 11 . 1 1 49 49 VAL N N 49 121.848 121.848 119.858 1.990 19367 4699 1 11 . 1 1 49 49 VAL HA H 49 3.364 3.364 3.648 -0.284 19367 4700 1 11 . 1 1 49 49 VAL CA C 49 66.354 66.354 65.619 0.735 19367 4701 1 11 . 1 1 49 49 VAL CB C 49 30.961 30.961 31.763 -0.802 19367 4702 1 11 . 1 1 49 49 VAL H H 49 7.600 7.600 7.646 -0.046 19367 4703 1 11 . 1 1 50 50 VAL N N 50 119.961 119.961 120.257 -0.296 19367 4704 1 11 . 1 1 50 50 VAL HA H 50 3.176 3.176 3.547 -0.371 19367 4705 1 11 . 1 1 50 50 VAL CA C 50 67.270 67.270 66.600 0.670 19367 4706 1 11 . 1 1 50 50 VAL CB C 50 31.662 31.662 31.604 0.058 19367 4707 1 11 . 1 1 50 50 VAL H H 50 8.567 8.567 8.409 0.158 19367 4708 1 11 . 1 1 51 51 GLN N N 51 116.203 116.203 118.699 -2.496 19367 4709 1 11 . 1 1 51 51 GLN HA H 51 4.204 4.204 4.237 -0.033 19367 4710 1 11 . 1 1 51 51 GLN CA C 51 59.334 59.334 58.675 0.659 19367 4711 1 11 . 1 1 51 51 GLN CB C 51 28.717 28.717 28.457 0.260 19367 4712 1 11 . 1 1 51 51 GLN H H 51 7.802 7.802 7.717 0.085 19367 4713 1 11 . 1 1 52 52 GLU N N 52 119.616 119.616 119.839 -0.223 19367 4714 1 11 . 1 1 52 52 GLU HA H 52 4.085 4.085 4.173 -0.088 19367 4715 1 11 . 1 1 52 52 GLU CA C 52 59.267 59.267 58.459 0.808 19367 4716 1 11 . 1 1 52 52 GLU CB C 52 29.178 29.178 29.491 -0.313 19367 4717 1 11 . 1 1 52 52 GLU H H 52 7.880 7.880 7.699 0.181 19367 4718 1 11 . 1 1 53 53 ALA N N 53 120.964 120.964 121.739 -0.775 19367 4719 1 11 . 1 1 53 53 ALA HA H 53 3.713 3.713 4.103 -0.390 19367 4720 1 11 . 1 1 53 53 ALA CA C 53 55.176 55.176 54.334 0.842 19367 4721 1 11 . 1 1 53 53 ALA CB C 53 16.573 16.573 18.286 -1.713 19367 4722 1 11 . 1 1 53 53 ALA H H 53 8.381 8.381 7.414 0.967 19367 4723 1 11 . 1 1 54 54 PHE N N 54 113.370 113.370 118.095 -4.725 19367 4724 1 11 . 1 1 54 54 PHE HA H 54 4.329 4.329 4.582 -0.253 19367 4725 1 11 . 1 1 54 54 PHE CA C 54 63.496 63.496 61.121 2.375 19367 4726 1 11 . 1 1 54 54 PHE CB C 54 39.097 39.097 39.310 -0.213 19367 4727 1 11 . 1 1 54 54 PHE H H 54 7.942 7.942 7.820 0.122 19367 4728 1 11 . 1 1 55 55 ILE N N 55 121.983 121.983 119.796 2.187 19367 4729 1 11 . 1 1 55 55 ILE HA H 55 3.946 3.946 3.898 0.048 19367 4730 1 11 . 1 1 55 55 ILE CA C 55 64.969 64.969 63.565 1.404 19367 4731 1 11 . 1 1 55 55 ILE CB C 55 37.589 37.589 37.731 -0.142 19367 4732 1 11 . 1 1 55 55 ILE H H 55 8.373 8.373 8.158 0.215 19367 4733 1 11 . 1 1 56 56 LYS N N 56 120.661 120.661 120.579 0.082 19367 4734 1 11 . 1 1 56 56 LYS HA H 56 3.860 3.860 4.103 -0.243 19367 4735 1 11 . 1 1 56 56 LYS CA C 56 59.835 59.835 59.335 0.500 19367 4736 1 11 . 1 1 56 56 LYS CB C 56 31.904 31.904 32.461 -0.557 19367 4737 1 11 . 1 1 56 56 LYS H H 56 8.318 8.318 7.735 0.583 19367 4738 1 11 . 1 1 57 57 ALA N N 57 119.884 119.884 121.742 -1.858 19367 4739 1 11 . 1 1 57 57 ALA HA H 57 3.784 3.784 4.202 -0.418 19367 4740 1 11 . 1 1 57 57 ALA CA C 57 54.552 54.552 54.904 -0.352 19367 4741 1 11 . 1 1 57 57 ALA CB C 57 18.251 18.251 18.343 -0.092 19367 4742 1 11 . 1 1 57 57 ALA H H 57 7.937 7.937 7.647 0.290 19367 4743 1 11 . 1 1 58 58 TYR N N 58 116.541 116.541 119.626 -3.085 19367 4744 1 11 . 1 1 58 58 TYR HA H 58 3.549 3.549 3.673 -0.124 19367 4745 1 11 . 1 1 58 58 TYR CA C 58 61.528 61.528 61.165 0.363 19367 4746 1 11 . 1 1 58 58 TYR CB C 58 37.885 37.885 38.442 -0.557 19367 4747 1 11 . 1 1 58 58 TYR H H 58 8.404 8.404 8.143 0.261 19367 4748 1 11 . 1 1 59 59 ARG N N 59 116.321 116.321 116.212 0.109 19367 4749 1 11 . 1 1 59 59 ARG HA H 59 3.791 3.791 4.200 -0.409 19367 4750 1 11 . 1 1 59 59 ARG CA C 59 58.500 58.500 56.960 1.540 19367 4751 1 11 . 1 1 59 59 ARG CB C 59 30.268 30.268 30.423 -0.155 19367 4752 1 11 . 1 1 59 59 ARG H H 59 8.404 8.404 7.662 0.742 19367 4753 1 11 . 1 1 60 60 ALA N N 60 118.867 118.867 121.953 -3.086 19367 4754 1 11 . 1 1 60 60 ALA HA H 60 4.879 4.879 4.622 0.257 19367 4755 1 11 . 1 1 60 60 ALA CA C 60 51.372 51.372 52.291 -0.919 19367 4756 1 11 . 1 1 60 60 ALA CB C 60 20.539 20.539 19.613 0.926 19367 4757 1 11 . 1 1 60 60 ALA H H 60 7.630 7.630 7.957 -0.327 19367 4758 1 11 . 1 1 61 61 LEU N N 61 124.902 124.902 120.737 4.165 19367 4759 1 11 . 1 1 61 61 LEU HA H 61 4.094 4.094 4.090 0.004 19367 4760 1 11 . 1 1 61 61 LEU CA C 61 58.442 58.442 57.254 1.188 19367 4761 1 11 . 1 1 61 61 LEU CB C 61 42.290 42.290 42.119 0.171 19367 4762 1 11 . 1 1 61 61 LEU H H 61 7.598 7.598 8.163 -0.565 19367 4763 1 11 . 1 1 62 62 ASP N N 62 117.094 117.094 118.834 -1.740 19367 4764 1 11 . 1 1 62 62 ASP HA H 62 4.345 4.345 4.475 -0.130 19367 4765 1 11 . 1 1 62 62 ASP CA C 62 56.690 56.690 56.038 0.652 19367 4766 1 11 . 1 1 62 62 ASP CB C 62 39.812 39.812 40.600 -0.788 19367 4767 1 11 . 1 1 62 62 ASP H H 62 8.686 8.686 8.609 0.077 19367 4768 1 11 . 1 1 63 63 SER N N 63 112.854 112.854 113.642 -0.788 19367 4769 1 11 . 1 1 63 63 SER HA H 63 4.554 4.554 4.535 0.019 19367 4770 1 11 . 1 1 63 63 SER CA C 63 58.052 58.052 57.036 1.016 19367 4771 1 11 . 1 1 63 63 SER CB C 63 64.719 64.719 64.066 0.653 19367 4772 1 11 . 1 1 63 63 SER H H 63 7.969 7.969 7.379 0.590 19367 4773 1 11 . 1 1 64 64 PHE N N 64 125.623 125.623 123.233 2.390 19367 4774 1 11 . 1 1 64 64 PHE HA H 64 4.238 4.238 4.043 0.195 19367 4775 1 11 . 1 1 64 64 PHE CA C 64 56.826 56.826 58.667 -1.841 19367 4776 1 11 . 1 1 64 64 PHE CB C 64 38.210 38.210 39.384 -1.174 19367 4777 1 11 . 1 1 64 64 PHE H H 64 7.383 7.383 7.390 -0.007 19367 4778 1 11 . 1 1 65 65 ARG N N 65 133.273 133.273 123.704 9.569 19367 4779 1 11 . 1 1 65 65 ARG HA H 65 3.861 3.861 4.137 -0.276 19367 4780 1 11 . 1 1 65 65 ARG CA C 65 57.826 57.826 55.758 2.068 19367 4781 1 11 . 1 1 65 65 ARG CB C 65 31.054 31.054 30.515 0.539 19367 4782 1 11 . 1 1 65 65 ARG H H 65 10.968 10.968 7.964 3.004 19367 4783 1 11 . 1 1 66 66 GLY N N 66 103.283 103.283 106.996 -3.713 19367 4784 1 11 . 1 1 66 66 GLY CA C 66 46.309 46.309 44.725 1.584 19367 4785 1 11 . 1 1 66 66 GLY H H 66 5.673 5.673 6.265 -0.592 19367 4786 1 11 . 1 1 67 67 ASP N N 67 120.001 120.001 119.466 0.535 19367 4787 1 11 . 1 1 67 67 ASP HA H 67 4.551 4.551 4.545 0.006 19367 4788 1 11 . 1 1 67 67 ASP CA C 67 55.488 55.488 55.072 0.416 19367 4789 1 11 . 1 1 67 67 ASP CB C 67 40.655 40.655 41.026 -0.371 19367 4790 1 11 . 1 1 67 67 ASP H H 67 7.960 7.960 8.159 -0.199 19367 4791 1 11 . 1 1 68 68 SER N N 68 110.787 110.787 111.837 -1.050 19367 4792 1 11 . 1 1 68 68 SER HA H 68 4.633 4.633 4.658 -0.025 19367 4793 1 11 . 1 1 68 68 SER CA C 68 56.762 56.762 57.135 -0.373 19367 4794 1 11 . 1 1 68 68 SER CB C 68 67.439 67.439 64.613 2.826 19367 4795 1 11 . 1 1 68 68 SER H H 68 7.692 7.692 7.367 0.325 19367 4796 1 11 . 1 1 69 69 ALA N N 69 122.464 122.464 123.713 -1.249 19367 4797 1 11 . 1 1 69 69 ALA HA H 69 4.692 4.692 4.429 0.263 19367 4798 1 11 . 1 1 69 69 ALA CA C 69 52.674 52.674 52.622 0.052 19367 4799 1 11 . 1 1 69 69 ALA CB C 69 18.751 18.751 19.645 -0.894 19367 4800 1 11 . 1 1 69 69 ALA H H 69 9.726 9.726 8.709 1.017 19367 4801 1 11 . 1 1 70 70 PHE N N 70 127.188 127.188 122.578 4.610 19367 4802 1 11 . 1 1 70 70 PHE HA H 70 4.085 4.085 4.180 -0.095 19367 4803 1 11 . 1 1 70 70 PHE CA C 70 62.108 62.108 61.370 0.738 19367 4804 1 11 . 1 1 70 70 PHE CB C 70 39.054 39.054 39.714 -0.660 19367 4805 1 11 . 1 1 70 70 PHE H H 70 9.774 9.774 8.810 0.964 19367 4806 1 11 . 1 1 71 71 TYR N N 71 117.533 117.533 118.127 -0.594 19367 4807 1 11 . 1 1 71 71 TYR HA H 71 3.449 3.449 3.878 -0.429 19367 4808 1 11 . 1 1 71 71 TYR CA C 71 61.684 61.684 60.861 0.823 19367 4809 1 11 . 1 1 71 71 TYR CB C 71 37.072 37.072 37.730 -0.658 19367 4810 1 11 . 1 1 71 71 TYR H H 71 9.720 9.720 8.802 0.918 19367 4811 1 11 . 1 1 72 72 THR N N 72 114.574 114.574 116.878 -2.304 19367 4812 1 11 . 1 1 72 72 THR HA H 72 5.436 5.436 3.907 1.529 19367 4813 1 11 . 1 1 72 72 THR CA C 72 63.426 63.426 67.435 -4.009 19367 4814 1 11 . 1 1 72 72 THR CB C 72 68.762 68.762 68.349 0.413 19367 4815 1 11 . 1 1 72 72 THR H H 72 6.675 6.675 7.780 -1.105 19367 4816 1 11 . 1 1 73 73 TRP N N 73 123.561 123.561 122.387 1.174 19367 4817 1 11 . 1 1 73 73 TRP HA H 73 3.956 3.956 4.546 -0.590 19367 4818 1 11 . 1 1 73 73 TRP CA C 73 62.112 62.112 60.028 2.084 19367 4819 1 11 . 1 1 73 73 TRP CB C 73 28.971 28.971 29.598 -0.627 19367 4820 1 11 . 1 1 73 73 TRP H H 73 6.924 6.924 7.425 -0.500 19367 4821 1 11 . 1 1 74 74 LEU N N 74 118.760 118.760 121.490 -2.730 19367 4822 1 11 . 1 1 74 74 LEU HA H 74 2.960 2.960 3.326 -0.366 19367 4823 1 11 . 1 1 74 74 LEU CA C 74 57.105 57.105 56.971 0.134 19367 4824 1 11 . 1 1 74 74 LEU CB C 74 41.503 41.503 41.404 0.099 19367 4825 1 11 . 1 1 74 74 LEU H H 74 7.903 7.903 7.692 0.211 19367 4826 1 11 . 1 1 75 75 TYR N N 75 119.616 119.616 118.587 1.029 19367 4827 1 11 . 1 1 75 75 TYR HA H 75 2.928 2.928 3.741 -0.813 19367 4828 1 11 . 1 1 75 75 TYR CA C 75 60.187 60.187 61.361 -1.174 19367 4829 1 11 . 1 1 75 75 TYR CB C 75 37.987 37.987 37.975 0.012 19367 4830 1 11 . 1 1 75 75 TYR H H 75 8.717 8.717 8.169 0.548 19367 4831 1 11 . 1 1 76 76 ARG N N 76 116.789 116.789 118.684 -1.895 19367 4832 1 11 . 1 1 76 76 ARG HA H 76 3.634 3.634 4.060 -0.426 19367 4833 1 11 . 1 1 76 76 ARG CA C 76 56.003 56.003 58.014 -2.011 19367 4834 1 11 . 1 1 76 76 ARG CB C 76 27.476 27.476 29.150 -1.674 19367 4835 1 11 . 1 1 76 76 ARG H H 76 6.809 6.809 7.375 -0.566 19367 4836 1 11 . 1 1 77 77 ILE N N 77 117.721 117.721 119.165 -1.444 19367 4837 1 11 . 1 1 77 77 ILE HA H 77 2.853 2.853 3.581 -0.728 19367 4838 1 11 . 1 1 77 77 ILE CA C 77 65.599 65.599 64.423 1.176 19367 4839 1 11 . 1 1 77 77 ILE CB C 77 36.937 36.937 37.467 -0.530 19367 4840 1 11 . 1 1 77 77 ILE H H 77 7.316 7.316 7.129 0.187 19367 4841 1 11 . 1 1 78 78 ALA N N 78 125.528 125.528 122.704 2.824 19367 4842 1 11 . 1 1 78 78 ALA HA H 78 3.369 3.369 3.873 -0.504 19367 4843 1 11 . 1 1 78 78 ALA CA C 78 55.876 55.876 54.765 1.111 19367 4844 1 11 . 1 1 78 78 ALA CB C 78 17.833 17.833 18.246 -0.413 19367 4845 1 11 . 1 1 78 78 ALA H H 78 8.788 8.788 7.861 0.927 19367 4846 1 11 . 1 1 79 79 VAL N N 79 117.392 117.392 117.870 -0.478 19367 4847 1 11 . 1 1 79 79 VAL HA H 79 2.819 2.819 3.477 -0.658 19367 4848 1 11 . 1 1 79 79 VAL CA C 79 67.174 67.174 64.995 2.179 19367 4849 1 11 . 1 1 79 79 VAL CB C 79 31.642 31.642 32.076 -0.434 19367 4850 1 11 . 1 1 79 79 VAL H H 79 8.046 8.046 7.610 0.436 19367 4851 1 11 . 1 1 80 80 ASN N N 80 117.152 117.152 117.170 -0.018 19367 4852 1 11 . 1 1 80 80 ASN HA H 80 4.368 4.368 4.587 -0.219 19367 4853 1 11 . 1 1 80 80 ASN CA C 80 55.630 55.630 55.358 0.272 19367 4854 1 11 . 1 1 80 80 ASN CB C 80 36.752 36.752 38.178 -1.427 19367 4855 1 11 . 1 1 80 80 ASN H H 80 8.146 8.146 7.699 0.447 19367 4856 1 11 . 1 1 81 81 THR N N 81 119.140 119.140 117.792 1.348 19367 4857 1 11 . 1 1 81 81 THR HA H 81 3.795 3.795 4.199 -0.404 19367 4858 1 11 . 1 1 81 81 THR CA C 81 67.441 67.441 65.951 1.490 19367 4859 1 11 . 1 1 81 81 THR CB C 81 68.102 68.102 68.742 -0.640 19367 4860 1 11 . 1 1 81 81 THR H H 81 8.320 8.320 7.902 0.418 19367 4861 1 11 . 1 1 82 82 ALA N N 82 124.957 124.957 123.407 1.550 19367 4862 1 11 . 1 1 82 82 ALA HA H 82 3.789 3.789 4.051 -0.262 19367 4863 1 11 . 1 1 82 82 ALA CA C 82 55.415 55.415 54.870 0.545 19367 4864 1 11 . 1 1 82 82 ALA CB C 82 18.020 18.020 18.320 -0.300 19367 4865 1 11 . 1 1 82 82 ALA H H 82 8.037 8.037 7.810 0.227 19367 4866 1 11 . 1 1 83 83 LYS N N 83 116.190 116.190 117.030 -0.840 19367 4867 1 11 . 1 1 83 83 LYS HA H 83 3.815 3.815 4.032 -0.217 19367 4868 1 11 . 1 1 83 83 LYS CA C 83 60.160 60.160 58.785 1.375 19367 4869 1 11 . 1 1 83 83 LYS CB C 83 32.312 32.312 32.459 -0.147 19367 4870 1 11 . 1 1 83 83 LYS H H 83 8.314 8.314 7.677 0.637 19367 4871 1 11 . 1 1 84 84 ASN N N 84 117.083 117.083 117.770 -0.687 19367 4872 1 11 . 1 1 84 84 ASN HA H 84 4.486 4.486 4.486 0.000 19367 4873 1 11 . 1 1 84 84 ASN CA C 84 55.213 55.213 54.928 0.285 19367 4874 1 11 . 1 1 84 84 ASN CB C 84 38.461 38.461 38.427 0.034 19367 4875 1 11 . 1 1 84 84 ASN H H 84 8.004 8.004 7.653 0.351 19367 4876 1 11 . 1 1 85 85 TYR N N 85 122.935 122.935 120.964 1.971 19367 4877 1 11 . 1 1 85 85 TYR HA H 85 4.147 4.147 4.273 -0.126 19367 4878 1 11 . 1 1 85 85 TYR CA C 85 61.408 61.408 61.231 0.177 19367 4879 1 11 . 1 1 85 85 TYR CB C 85 38.428 38.428 38.660 -0.232 19367 4880 1 11 . 1 1 85 85 TYR H H 85 7.935 7.935 7.583 0.352 19367 4881 1 11 . 1 1 86 86 LEU N N 86 119.119 119.119 117.711 1.408 19367 4882 1 11 . 1 1 86 86 LEU HA H 86 3.998 3.998 3.899 0.099 19367 4883 1 11 . 1 1 86 86 LEU CA C 86 57.647 57.647 57.290 0.357 19367 4884 1 11 . 1 1 86 86 LEU CB C 86 41.906 41.906 41.938 -0.032 19367 4885 1 11 . 1 1 86 86 LEU H H 86 7.810 7.810 7.609 0.201 19367 4886 1 11 . 1 1 87 87 VAL N N 87 118.991 118.991 114.420 4.571 19367 4887 1 11 . 1 1 87 87 VAL HA H 87 3.806 3.806 3.994 -0.188 19367 4888 1 11 . 1 1 87 87 VAL CA C 87 64.989 64.989 64.134 0.855 19367 4889 1 11 . 1 1 87 87 VAL CB C 87 32.126 32.126 30.728 1.398 19367 4890 1 11 . 1 1 87 87 VAL H H 87 7.701 7.701 7.389 0.312 19367 4891 1 11 . 1 1 88 88 ALA N N 88 123.643 123.643 122.093 1.550 19367 4892 1 11 . 1 1 88 88 ALA HA H 88 4.088 4.088 4.148 -0.060 19367 4893 1 11 . 1 1 88 88 ALA CA C 88 54.188 54.188 54.349 -0.161 19367 4894 1 11 . 1 1 88 88 ALA CB C 88 18.460 18.460 18.719 -0.259 19367 4895 1 11 . 1 1 88 88 ALA H H 88 7.978 7.978 7.429 0.549 19367 4896 1 11 . 1 1 89 89 GLN N N 89 116.659 116.659 115.627 1.032 19367 4897 1 11 . 1 1 89 89 GLN HA H 89 4.024 4.024 4.338 -0.314 19367 4898 1 11 . 1 1 89 89 GLN CA C 89 56.818 56.818 55.862 0.956 19367 4899 1 11 . 1 1 89 89 GLN CB C 89 28.776 28.776 30.075 -1.299 19367 4900 1 11 . 1 1 89 89 GLN H H 89 7.974 7.974 7.733 0.241 19367 4901 1 11 . 1 1 90 90 GLY N N 90 107.464 107.464 108.381 -0.917 19367 4902 1 11 . 1 1 90 90 GLY CA C 90 45.782 45.782 45.515 0.267 19367 4903 1 11 . 1 1 90 90 GLY H H 90 7.967 7.967 7.828 0.139 19367 4904 1 11 . 1 1 91 91 ARG N N 91 119.736 119.736 117.434 2.302 19367 4905 1 11 . 1 1 91 91 ARG HA H 91 4.299 4.299 4.596 -0.297 19367 4906 1 11 . 1 1 91 91 ARG CA C 91 56.216 56.216 54.281 1.935 19367 4907 1 11 . 1 1 91 91 ARG CB C 91 30.805 30.805 33.005 -2.200 19367 4908 1 11 . 1 1 91 91 ARG H H 91 7.824 7.824 7.392 0.432 19367 4909 1 11 . 1 1 92 92 ARG N N 92 120.592 120.592 119.620 0.972 19367 4910 1 11 . 1 1 92 92 ARG HA H 92 4.270 4.270 3.993 0.277 19367 4911 1 11 . 1 1 92 92 ARG CA C 92 56.451 56.451 58.068 -1.617 19367 4912 1 11 . 1 1 92 92 ARG CB C 92 30.658 30.658 29.804 0.854 19367 4913 1 11 . 1 1 92 92 ARG H H 92 8.038 8.038 8.923 -0.885 19367 4914 1 11 . 1 1 93 93 LEU N N 93 122.274 122.274 116.708 5.566 19367 4915 1 11 . 1 1 93 93 LEU HA H 93 4.258 4.258 4.388 -0.130 19367 4916 1 11 . 1 1 93 93 LEU CA C 93 55.463 55.463 56.193 -0.730 19367 4917 1 11 . 1 1 93 93 LEU CB C 93 42.203 42.203 42.909 -0.706 19367 4918 1 11 . 1 1 93 93 LEU H H 93 8.147 8.147 7.767 0.380 19367 4919 1 11 . 1 1 94 94 GLU N N 94 120.794 120.794 119.134 1.660 19367 4920 1 11 . 1 1 94 94 GLU HA H 94 4.249 4.249 4.518 -0.269 19367 4921 1 11 . 1 1 94 94 GLU CA C 94 56.557 56.557 56.010 0.547 19367 4922 1 11 . 1 1 94 94 GLU CB C 94 30.103 30.103 32.502 -2.400 19367 4923 1 11 . 1 1 94 94 GLU H H 94 8.241 8.241 7.627 0.614 19367 4924 1 11 . 1 1 95 95 LEU N N 95 122.290 122.290 123.465 -1.175 19367 4925 1 11 . 1 1 95 95 LEU HA H 95 4.312 4.312 4.691 -0.379 19367 4926 1 11 . 1 1 95 95 LEU CA C 95 55.080 55.080 54.972 0.108 19367 4927 1 11 . 1 1 95 95 LEU CB C 95 42.130 42.130 43.229 -1.099 19367 4928 1 11 . 1 1 95 95 LEU H H 95 8.068 8.068 8.537 -0.469 19367 4929 1 12 . 1 1 4 4 GLN N N 4 121.848 121.848 119.054 2.794 19367 4930 1 12 . 1 1 4 4 GLN HA H 4 4.307 4.307 4.588 -0.281 19367 4931 1 12 . 1 1 4 4 GLN CA C 4 55.724 55.724 54.965 0.759 19367 4932 1 12 . 1 1 4 4 GLN CB C 4 29.297 29.297 30.510 -1.213 19367 4933 1 12 . 1 1 4 4 GLN H H 4 8.500 8.500 8.654 -0.154 19367 4934 1 12 . 1 1 5 5 LEU N N 5 124.347 124.347 124.613 -0.266 19367 4935 1 12 . 1 1 5 5 LEU HA H 5 4.548 4.548 4.462 0.086 19367 4936 1 12 . 1 1 5 5 LEU CA C 5 53.785 53.785 54.141 -0.356 19367 4937 1 12 . 1 1 5 5 LEU CB C 5 41.886 41.886 39.591 2.295 19367 4938 1 12 . 1 1 5 5 LEU H H 5 8.565 8.565 8.801 -0.236 19367 4939 1 12 . 1 1 6 6 THR N N 6 114.442 114.442 112.028 2.414 19367 4940 1 12 . 1 1 6 6 THR HA H 6 4.353 4.353 4.268 0.085 19367 4941 1 12 . 1 1 6 6 THR CA C 6 61.195 61.195 61.785 -0.591 19367 4942 1 12 . 1 1 6 6 THR CB C 6 70.541 70.541 70.357 0.184 19367 4943 1 12 . 1 1 6 6 THR H H 6 7.950 7.950 7.584 0.366 19367 4944 1 12 . 1 1 7 7 ASP N N 7 120.959 120.959 118.520 2.439 19367 4945 1 12 . 1 1 7 7 ASP HA H 7 4.197 4.197 4.301 -0.104 19367 4946 1 12 . 1 1 7 7 ASP CA C 7 57.820 57.820 57.182 0.638 19367 4947 1 12 . 1 1 7 7 ASP CB C 7 39.621 39.621 40.264 -0.643 19367 4948 1 12 . 1 1 7 7 ASP H H 7 9.008 9.008 9.076 -0.068 19367 4949 1 12 . 1 1 8 8 GLN N N 8 116.649 116.649 120.039 -3.390 19367 4950 1 12 . 1 1 8 8 GLN HA H 8 4.012 4.012 4.236 -0.224 19367 4951 1 12 . 1 1 8 8 GLN CA C 8 59.746 59.746 58.388 1.358 19367 4952 1 12 . 1 1 8 8 GLN CB C 8 28.188 28.188 28.568 -0.380 19367 4953 1 12 . 1 1 8 8 GLN H H 8 8.561 8.561 7.632 0.929 19367 4954 1 12 . 1 1 9 9 VAL N N 9 120.579 120.579 119.162 1.417 19367 4955 1 12 . 1 1 9 9 VAL HA H 9 3.760 3.760 4.198 -0.438 19367 4956 1 12 . 1 1 9 9 VAL CA C 9 66.108 66.108 64.029 2.079 19367 4957 1 12 . 1 1 9 9 VAL CB C 9 31.558 31.558 31.439 0.119 19367 4958 1 12 . 1 1 9 9 VAL H H 9 7.450 7.450 7.663 -0.213 19367 4959 1 12 . 1 1 10 10 LEU N N 10 119.806 119.806 121.442 -1.636 19367 4960 1 12 . 1 1 10 10 LEU HA H 10 3.917 3.917 4.225 -0.308 19367 4961 1 12 . 1 1 10 10 LEU CA C 10 58.415 58.415 57.548 0.867 19367 4962 1 12 . 1 1 10 10 LEU CB C 10 41.299 41.299 41.805 -0.506 19367 4963 1 12 . 1 1 10 10 LEU H H 10 7.865 7.865 7.490 0.375 19367 4964 1 12 . 1 1 11 11 VAL N N 11 119.041 119.041 118.701 0.340 19367 4965 1 12 . 1 1 11 11 VAL HA H 11 3.280 3.280 3.512 -0.232 19367 4966 1 12 . 1 1 11 11 VAL CA C 11 67.631 67.631 66.749 0.882 19367 4967 1 12 . 1 1 11 11 VAL CB C 11 31.723 31.723 31.592 0.131 19367 4968 1 12 . 1 1 11 11 VAL H H 11 8.734 8.734 7.804 0.930 19367 4969 1 12 . 1 1 12 12 GLU N N 12 119.018 119.018 118.560 0.458 19367 4970 1 12 . 1 1 12 12 GLU HA H 12 4.110 4.110 4.058 0.052 19367 4971 1 12 . 1 1 12 12 GLU CA C 12 59.514 59.514 58.717 0.797 19367 4972 1 12 . 1 1 12 12 GLU CB C 12 28.603 28.603 28.942 -0.339 19367 4973 1 12 . 1 1 12 12 GLU H H 12 7.802 7.802 7.685 0.117 19367 4974 1 12 . 1 1 13 13 ARG N N 13 117.242 117.242 119.998 -2.756 19367 4975 1 12 . 1 1 13 13 ARG HA H 13 4.011 4.011 4.162 -0.151 19367 4976 1 12 . 1 1 13 13 ARG CA C 13 60.016 60.016 58.895 1.121 19367 4977 1 12 . 1 1 13 13 ARG CB C 13 27.737 27.737 30.278 -2.541 19367 4978 1 12 . 1 1 13 13 ARG H H 13 8.107 8.107 7.491 0.616 19367 4979 1 12 . 1 1 14 14 VAL N N 14 121.430 121.430 119.168 2.262 19367 4980 1 12 . 1 1 14 14 VAL HA H 14 3.767 3.767 4.120 -0.353 19367 4981 1 12 . 1 1 14 14 VAL CA C 14 66.462 66.462 65.513 0.949 19367 4982 1 12 . 1 1 14 14 VAL CB C 14 31.616 31.616 31.923 -0.307 19367 4983 1 12 . 1 1 14 14 VAL H H 14 8.435 8.435 7.499 0.936 19367 4984 1 12 . 1 1 15 15 GLN N N 15 120.667 120.667 119.281 1.386 19367 4985 1 12 . 1 1 15 15 GLN HA H 15 4.088 4.088 4.088 0.000 19367 4986 1 12 . 1 1 15 15 GLN CA C 15 58.628 58.628 58.240 0.388 19367 4987 1 12 . 1 1 15 15 GLN CB C 15 27.995 27.995 28.376 -0.381 19367 4988 1 12 . 1 1 15 15 GLN H H 15 8.670 8.670 7.737 0.933 19367 4989 1 12 . 1 1 16 16 LYS N N 16 116.797 116.797 117.206 -0.409 19367 4990 1 12 . 1 1 16 16 LYS HA H 16 4.374 4.374 4.294 0.080 19367 4991 1 12 . 1 1 16 16 LYS CA C 16 56.278 56.278 56.020 0.258 19367 4992 1 12 . 1 1 16 16 LYS CB C 16 32.299 32.299 32.522 -0.223 19367 4993 1 12 . 1 1 16 16 LYS H H 16 7.700 7.700 7.553 0.147 19367 4994 1 12 . 1 1 17 17 GLY N N 17 107.001 107.001 108.060 -1.059 19367 4995 1 12 . 1 1 17 17 GLY CA C 17 45.608 45.608 45.151 0.457 19367 4996 1 12 . 1 1 17 17 GLY H H 17 7.927 7.927 7.811 0.116 19367 4997 1 12 . 1 1 18 18 ASP N N 18 121.666 121.666 121.367 0.299 19367 4998 1 12 . 1 1 18 18 ASP HA H 18 4.769 4.769 4.707 0.062 19367 4999 1 12 . 1 1 18 18 ASP CA C 18 52.999 52.999 53.681 -0.682 19367 5000 1 12 . 1 1 18 18 ASP CB C 18 40.814 40.814 41.451 -0.637 19367 5001 1 12 . 1 1 18 18 ASP H H 18 8.255 8.255 7.637 0.618 19367 5002 1 12 . 1 1 19 19 GLN N N 19 124.874 124.874 124.566 0.308 19367 5003 1 12 . 1 1 19 19 GLN HA H 19 4.150 4.150 4.297 -0.147 19367 5004 1 12 . 1 1 19 19 GLN CA C 19 58.922 58.922 58.028 0.894 19367 5005 1 12 . 1 1 19 19 GLN CB C 19 28.759 28.759 28.998 -0.239 19367 5006 1 12 . 1 1 19 19 GLN H H 19 8.392 8.392 8.735 -0.343 19367 5007 1 12 . 1 1 20 20 LYS N N 20 119.006 119.006 119.159 -0.153 19367 5008 1 12 . 1 1 20 20 LYS HA H 20 4.118 4.118 4.231 -0.113 19367 5009 1 12 . 1 1 20 20 LYS CA C 20 58.642 58.642 57.521 1.121 19367 5010 1 12 . 1 1 20 20 LYS CB C 20 31.678 31.678 31.810 -0.132 19367 5011 1 12 . 1 1 20 20 LYS H H 20 8.348 8.348 8.855 -0.507 19367 5012 1 12 . 1 1 21 21 ALA N N 21 121.687 121.687 121.816 -0.129 19367 5013 1 12 . 1 1 21 21 ALA HA H 21 4.010 4.010 4.211 -0.201 19367 5014 1 12 . 1 1 21 21 ALA CA C 21 54.485 54.485 54.657 -0.172 19367 5015 1 12 . 1 1 21 21 ALA CB C 21 18.634 18.634 18.284 0.350 19367 5016 1 12 . 1 1 21 21 ALA H H 21 7.500 7.500 7.742 -0.242 19367 5017 1 12 . 1 1 22 22 PHE N N 22 117.219 117.219 118.972 -1.753 19367 5018 1 12 . 1 1 22 22 PHE HA H 22 3.994 3.994 4.272 -0.278 19367 5019 1 12 . 1 1 22 22 PHE CA C 22 61.907 61.907 60.568 1.339 19367 5020 1 12 . 1 1 22 22 PHE CB C 22 38.571 38.571 39.760 -1.189 19367 5021 1 12 . 1 1 22 22 PHE H H 22 7.810 7.810 7.677 0.133 19367 5022 1 12 . 1 1 23 23 ASN N N 23 115.600 115.600 118.876 -3.276 19367 5023 1 12 . 1 1 23 23 ASN HA H 23 4.163 4.163 4.275 -0.112 19367 5024 1 12 . 1 1 23 23 ASN CA C 23 56.264 56.264 56.551 -0.287 19367 5025 1 12 . 1 1 23 23 ASN CB C 23 38.131 38.131 38.422 -0.291 19367 5026 1 12 . 1 1 23 23 ASN H H 23 7.711 7.711 8.291 -0.580 19367 5027 1 12 . 1 1 24 24 LEU N N 24 117.605 117.605 119.244 -1.639 19367 5028 1 12 . 1 1 24 24 LEU HA H 24 3.999 3.999 4.125 -0.126 19367 5029 1 12 . 1 1 24 24 LEU CA C 24 57.811 57.811 57.220 0.591 19367 5030 1 12 . 1 1 24 24 LEU CB C 24 41.367 41.367 41.632 -0.265 19367 5031 1 12 . 1 1 24 24 LEU H H 24 7.344 7.344 7.548 -0.204 19367 5032 1 12 . 1 1 25 25 LEU N N 25 120.426 120.426 120.467 -0.041 19367 5033 1 12 . 1 1 25 25 LEU HA H 25 3.938 3.938 3.984 -0.046 19367 5034 1 12 . 1 1 25 25 LEU CA C 25 57.863 57.863 57.302 0.561 19367 5035 1 12 . 1 1 25 25 LEU CB C 25 41.479 41.479 41.639 -0.160 19367 5036 1 12 . 1 1 25 25 LEU H H 25 7.036 7.036 7.323 -0.287 19367 5037 1 12 . 1 1 26 26 VAL N N 26 119.676 119.676 119.434 0.242 19367 5038 1 12 . 1 1 26 26 VAL HA H 26 2.857 2.857 2.654 0.203 19367 5039 1 12 . 1 1 26 26 VAL CA C 26 65.821 65.821 66.470 -0.649 19367 5040 1 12 . 1 1 26 26 VAL CB C 26 30.816 30.816 30.983 -0.167 19367 5041 1 12 . 1 1 26 26 VAL H H 26 7.369 7.369 7.682 -0.313 19367 5042 1 12 . 1 1 27 27 VAL N N 27 117.098 117.098 117.934 -0.836 19367 5043 1 12 . 1 1 27 27 VAL HA H 27 3.542 3.542 3.596 -0.054 19367 5044 1 12 . 1 1 27 27 VAL CA C 27 65.837 65.837 65.641 0.196 19367 5045 1 12 . 1 1 27 27 VAL CB C 27 31.728 31.728 31.368 0.360 19367 5046 1 12 . 1 1 27 27 VAL H H 27 7.816 7.816 7.597 0.219 19367 5047 1 12 . 1 1 28 28 ARG N N 28 118.592 118.592 119.383 -0.791 19367 5048 1 12 . 1 1 28 28 ARG HA H 28 3.838 3.838 3.970 -0.132 19367 5049 1 12 . 1 1 28 28 ARG CA C 28 59.356 59.356 58.509 0.847 19367 5050 1 12 . 1 1 28 28 ARG CB C 28 31.069 31.069 30.109 0.960 19367 5051 1 12 . 1 1 28 28 ARG H H 28 7.491 7.491 7.373 0.118 19367 5052 1 12 . 1 1 29 29 TYR N N 29 112.635 112.635 116.077 -3.442 19367 5053 1 12 . 1 1 29 29 TYR HA H 29 4.945 4.945 4.919 0.026 19367 5054 1 12 . 1 1 29 29 TYR CA C 29 60.438 60.438 57.758 2.680 19367 5055 1 12 . 1 1 29 29 TYR CB C 29 40.619 40.619 40.146 0.473 19367 5056 1 12 . 1 1 29 29 TYR H H 29 7.675 7.675 7.452 0.223 19367 5057 1 12 . 1 1 30 30 GLN N N 30 123.043 123.043 121.509 1.534 19367 5058 1 12 . 1 1 30 30 GLN HA H 30 4.119 4.119 4.307 -0.188 19367 5059 1 12 . 1 1 30 30 GLN CA C 30 61.409 61.409 59.722 1.687 19367 5060 1 12 . 1 1 30 30 GLN CB C 30 26.933 26.933 28.059 -1.126 19367 5061 1 12 . 1 1 30 30 GLN H H 30 9.056 9.056 8.248 0.808 19367 5062 1 12 . 1 1 31 31 HIS N N 31 118.704 118.704 118.561 0.143 19367 5063 1 12 . 1 1 31 31 HIS HA H 31 4.435 4.435 4.389 0.046 19367 5064 1 12 . 1 1 31 31 HIS CA C 31 59.580 59.580 59.719 -0.139 19367 5065 1 12 . 1 1 31 31 HIS CB C 31 29.396 29.396 29.883 -0.487 19367 5066 1 12 . 1 1 31 31 HIS H H 31 8.616 8.616 8.612 0.004 19367 5067 1 12 . 1 1 32 32 LYS N N 32 122.594 122.594 119.867 2.727 19367 5068 1 12 . 1 1 32 32 LYS HA H 32 4.029 4.029 4.126 -0.097 19367 5069 1 12 . 1 1 32 32 LYS CA C 32 59.869 59.869 59.684 0.185 19367 5070 1 12 . 1 1 32 32 LYS CB C 32 32.580 32.580 32.324 0.256 19367 5071 1 12 . 1 1 32 32 LYS H H 32 7.848 7.848 7.572 0.276 19367 5072 1 12 . 1 1 33 33 VAL N N 33 119.621 119.621 119.606 0.015 19367 5073 1 12 . 1 1 33 33 VAL HA H 33 3.480 3.480 3.712 -0.232 19367 5074 1 12 . 1 1 33 33 VAL CA C 33 66.671 66.671 64.598 2.073 19367 5075 1 12 . 1 1 33 33 VAL CB C 33 31.142 31.142 31.149 -0.007 19367 5076 1 12 . 1 1 33 33 VAL H H 33 8.653 8.653 8.538 0.115 19367 5077 1 12 . 1 1 34 34 ALA N N 34 122.622 122.622 121.806 0.816 19367 5078 1 12 . 1 1 34 34 ALA HA H 34 3.736 3.736 4.057 -0.321 19367 5079 1 12 . 1 1 34 34 ALA CA C 34 55.762 55.762 55.090 0.672 19367 5080 1 12 . 1 1 34 34 ALA CB C 34 17.681 17.681 18.163 -0.482 19367 5081 1 12 . 1 1 34 34 ALA H H 34 8.498 8.498 7.610 0.888 19367 5082 1 12 . 1 1 35 35 SER N N 35 113.674 113.674 113.677 -0.003 19367 5083 1 12 . 1 1 35 35 SER HA H 35 4.040 4.040 4.192 -0.152 19367 5084 1 12 . 1 1 35 35 SER CA C 35 61.765 61.765 61.392 0.373 19367 5085 1 12 . 1 1 35 35 SER CB C 35 62.766 62.766 63.060 -0.294 19367 5086 1 12 . 1 1 35 35 SER H H 35 7.897 7.897 7.385 0.512 19367 5087 1 12 . 1 1 36 36 LEU N N 36 123.203 123.203 121.430 1.773 19367 5088 1 12 . 1 1 36 36 LEU HA H 36 3.992 3.992 4.259 -0.267 19367 5089 1 12 . 1 1 36 36 LEU CA C 36 57.863 57.863 57.047 0.816 19367 5090 1 12 . 1 1 36 36 LEU CB C 36 42.718 42.718 42.059 0.659 19367 5091 1 12 . 1 1 36 36 LEU H H 36 7.494 7.494 7.105 0.389 19367 5092 1 12 . 1 1 37 37 VAL N N 37 114.122 114.122 115.663 -1.541 19367 5093 1 12 . 1 1 37 37 VAL HA H 37 3.627 3.627 4.080 -0.453 19367 5094 1 12 . 1 1 37 37 VAL CA C 37 65.879 65.879 65.084 0.795 19367 5095 1 12 . 1 1 37 37 VAL CB C 37 31.214 31.214 31.091 0.123 19367 5096 1 12 . 1 1 37 37 VAL H H 37 8.530 8.530 8.320 0.210 19367 5097 1 12 . 1 1 38 38 SER N N 38 116.259 116.259 115.921 0.338 19367 5098 1 12 . 1 1 38 38 SER HA H 38 4.276 4.276 4.327 -0.051 19367 5099 1 12 . 1 1 38 38 SER CA C 38 60.898 60.898 60.013 0.885 19367 5100 1 12 . 1 1 38 38 SER CB C 38 63.143 63.143 63.040 0.103 19367 5101 1 12 . 1 1 38 38 SER H H 38 8.136 8.136 7.624 0.512 19367 5102 1 12 . 1 1 39 39 ARG N N 39 119.029 119.029 118.776 0.253 19367 5103 1 12 . 1 1 39 39 ARG HA H 39 3.995 3.995 3.960 0.035 19367 5104 1 12 . 1 1 39 39 ARG CA C 39 57.640 57.640 57.527 0.113 19367 5105 1 12 . 1 1 39 39 ARG CB C 39 29.719 29.719 30.074 -0.355 19367 5106 1 12 . 1 1 39 39 ARG H H 39 7.310 7.310 7.223 0.087 19367 5107 1 12 . 1 1 40 40 TYR N N 40 114.123 114.123 115.502 -1.379 19367 5108 1 12 . 1 1 40 40 TYR HA H 40 4.472 4.472 4.708 -0.236 19367 5109 1 12 . 1 1 40 40 TYR CA C 40 59.298 59.298 57.868 1.430 19367 5110 1 12 . 1 1 40 40 TYR CB C 40 42.809 42.809 41.084 1.725 19367 5111 1 12 . 1 1 40 40 TYR H H 40 7.786 7.786 7.783 0.003 19367 5112 1 12 . 1 1 41 41 VAL N N 41 112.721 112.721 114.404 -1.683 19367 5113 1 12 . 1 1 41 41 VAL HA H 41 4.853 4.853 4.760 0.093 19367 5114 1 12 . 1 1 41 41 VAL CA C 41 57.942 57.942 58.010 -0.068 19367 5115 1 12 . 1 1 41 41 VAL CB C 41 33.171 33.171 33.438 -0.267 19367 5116 1 12 . 1 1 41 41 VAL H H 41 7.388 7.388 7.863 -0.475 19367 5117 1 12 . 1 1 42 42 PRO HA H 42 4.415 4.415 4.711 -0.296 19367 5118 1 12 . 1 1 42 42 PRO CA C 42 62.645 62.645 62.760 -0.115 19367 5119 1 12 . 1 1 42 42 PRO CB C 42 32.603 32.603 32.624 -0.021 19367 5120 1 12 . 1 1 43 43 SER N N 43 116.784 116.784 116.577 0.207 19367 5121 1 12 . 1 1 43 43 SER HA H 43 4.009 4.009 4.156 -0.147 19367 5122 1 12 . 1 1 43 43 SER CA C 43 62.098 62.098 60.356 1.742 19367 5123 1 12 . 1 1 43 43 SER CB C 43 62.862 62.862 62.606 0.256 19367 5124 1 12 . 1 1 43 43 SER H H 43 8.602 8.602 8.560 0.042 19367 5125 1 12 . 1 1 44 44 GLY N N 44 107.756 107.756 109.065 -1.309 19367 5126 1 12 . 1 1 44 44 GLY CA C 44 46.503 46.503 45.693 0.810 19367 5127 1 12 . 1 1 44 44 GLY H H 44 8.812 8.812 8.216 0.596 19367 5128 1 12 . 1 1 45 45 ASP N N 45 117.822 117.822 119.846 -2.024 19367 5129 1 12 . 1 1 45 45 ASP HA H 45 4.875 4.875 4.857 0.018 19367 5130 1 12 . 1 1 45 45 ASP CA C 45 54.770 54.770 54.127 0.643 19367 5131 1 12 . 1 1 45 45 ASP CB C 45 42.593 42.593 42.310 0.283 19367 5132 1 12 . 1 1 45 45 ASP H H 45 7.764 7.764 8.021 -0.257 19367 5133 1 12 . 1 1 46 46 VAL N N 46 119.385 119.385 121.950 -2.565 19367 5134 1 12 . 1 1 46 46 VAL HA H 46 3.233 3.233 3.781 -0.548 19367 5135 1 12 . 1 1 46 46 VAL CA C 46 68.546 68.546 68.167 0.379 19367 5136 1 12 . 1 1 46 46 VAL CB C 46 29.851 29.851 29.019 0.832 19367 5137 1 12 . 1 1 46 46 VAL H H 46 7.148 7.148 7.525 -0.377 19367 5138 1 12 . 1 1 47 47 PRO HA H 47 4.113 4.113 4.282 -0.169 19367 5139 1 12 . 1 1 47 47 PRO CA C 47 66.527 66.527 65.781 0.746 19367 5140 1 12 . 1 1 47 47 PRO CB C 47 28.496 28.496 31.189 -2.693 19367 5141 1 12 . 1 1 48 48 ASP N N 48 116.654 116.654 118.869 -2.215 19367 5142 1 12 . 1 1 48 48 ASP HA H 48 4.384 4.384 4.519 -0.135 19367 5143 1 12 . 1 1 48 48 ASP CA C 48 57.268 57.268 56.468 0.800 19367 5144 1 12 . 1 1 48 48 ASP CB C 48 40.657 40.657 41.073 -0.416 19367 5145 1 12 . 1 1 48 48 ASP H H 48 7.473 7.473 7.448 0.025 19367 5146 1 12 . 1 1 49 49 VAL N N 49 121.848 121.848 119.848 2.000 19367 5147 1 12 . 1 1 49 49 VAL HA H 49 3.364 3.364 3.539 -0.175 19367 5148 1 12 . 1 1 49 49 VAL CA C 49 66.354 66.354 65.621 0.733 19367 5149 1 12 . 1 1 49 49 VAL CB C 49 30.961 30.961 31.879 -0.918 19367 5150 1 12 . 1 1 49 49 VAL H H 49 7.600 7.600 7.748 -0.148 19367 5151 1 12 . 1 1 50 50 VAL N N 50 119.961 119.961 120.308 -0.347 19367 5152 1 12 . 1 1 50 50 VAL HA H 50 3.176 3.176 3.553 -0.377 19367 5153 1 12 . 1 1 50 50 VAL CA C 50 67.270 67.270 66.572 0.698 19367 5154 1 12 . 1 1 50 50 VAL CB C 50 31.662 31.662 31.121 0.541 19367 5155 1 12 . 1 1 50 50 VAL H H 50 8.567 8.567 8.500 0.067 19367 5156 1 12 . 1 1 51 51 GLN N N 51 116.203 116.203 118.990 -2.787 19367 5157 1 12 . 1 1 51 51 GLN HA H 51 4.204 4.204 4.229 -0.025 19367 5158 1 12 . 1 1 51 51 GLN CA C 51 59.334 59.334 58.605 0.729 19367 5159 1 12 . 1 1 51 51 GLN CB C 51 28.717 28.717 28.387 0.330 19367 5160 1 12 . 1 1 51 51 GLN H H 51 7.802 7.802 7.706 0.096 19367 5161 1 12 . 1 1 52 52 GLU N N 52 119.616 119.616 120.200 -0.584 19367 5162 1 12 . 1 1 52 52 GLU HA H 52 4.085 4.085 4.224 -0.139 19367 5163 1 12 . 1 1 52 52 GLU CA C 52 59.267 59.267 58.167 1.100 19367 5164 1 12 . 1 1 52 52 GLU CB C 52 29.178 29.178 29.244 -0.066 19367 5165 1 12 . 1 1 52 52 GLU H H 52 7.880 7.880 7.664 0.216 19367 5166 1 12 . 1 1 53 53 ALA N N 53 120.964 120.964 122.191 -1.227 19367 5167 1 12 . 1 1 53 53 ALA HA H 53 3.713 3.713 4.065 -0.352 19367 5168 1 12 . 1 1 53 53 ALA CA C 53 55.176 55.176 54.499 0.677 19367 5169 1 12 . 1 1 53 53 ALA CB C 53 16.573 16.573 18.063 -1.490 19367 5170 1 12 . 1 1 53 53 ALA H H 53 8.381 8.381 7.519 0.862 19367 5171 1 12 . 1 1 54 54 PHE N N 54 113.370 113.370 116.883 -3.513 19367 5172 1 12 . 1 1 54 54 PHE HA H 54 4.329 4.329 4.586 -0.257 19367 5173 1 12 . 1 1 54 54 PHE CA C 54 63.496 63.496 60.904 2.592 19367 5174 1 12 . 1 1 54 54 PHE CB C 54 39.097 39.097 39.252 -0.155 19367 5175 1 12 . 1 1 54 54 PHE H H 54 7.942 7.942 7.697 0.245 19367 5176 1 12 . 1 1 55 55 ILE N N 55 121.983 121.983 120.465 1.518 19367 5177 1 12 . 1 1 55 55 ILE HA H 55 3.946 3.946 3.954 -0.008 19367 5178 1 12 . 1 1 55 55 ILE CA C 55 64.969 64.969 63.378 1.591 19367 5179 1 12 . 1 1 55 55 ILE CB C 55 37.589 37.589 37.713 -0.124 19367 5180 1 12 . 1 1 55 55 ILE H H 55 8.373 8.373 7.808 0.565 19367 5181 1 12 . 1 1 56 56 LYS N N 56 120.661 120.661 120.997 -0.336 19367 5182 1 12 . 1 1 56 56 LYS HA H 56 3.860 3.860 4.120 -0.260 19367 5183 1 12 . 1 1 56 56 LYS CA C 56 59.835 59.835 58.381 1.454 19367 5184 1 12 . 1 1 56 56 LYS CB C 56 31.904 31.904 31.917 -0.013 19367 5185 1 12 . 1 1 56 56 LYS H H 56 8.318 8.318 8.398 -0.080 19367 5186 1 12 . 1 1 57 57 ALA N N 57 119.884 119.884 121.924 -2.040 19367 5187 1 12 . 1 1 57 57 ALA HA H 57 3.784 3.784 4.193 -0.409 19367 5188 1 12 . 1 1 57 57 ALA CA C 57 54.552 54.552 54.647 -0.095 19367 5189 1 12 . 1 1 57 57 ALA CB C 57 18.251 18.251 18.439 -0.188 19367 5190 1 12 . 1 1 57 57 ALA H H 57 7.937 7.937 7.493 0.444 19367 5191 1 12 . 1 1 58 58 TYR N N 58 116.541 116.541 119.897 -3.356 19367 5192 1 12 . 1 1 58 58 TYR HA H 58 3.549 3.549 3.792 -0.243 19367 5193 1 12 . 1 1 58 58 TYR CA C 58 61.528 61.528 61.300 0.228 19367 5194 1 12 . 1 1 58 58 TYR CB C 58 37.885 37.885 38.459 -0.574 19367 5195 1 12 . 1 1 58 58 TYR H H 58 8.404 8.404 8.127 0.277 19367 5196 1 12 . 1 1 59 59 ARG N N 59 116.321 116.321 116.784 -0.463 19367 5197 1 12 . 1 1 59 59 ARG HA H 59 3.791 3.791 4.144 -0.353 19367 5198 1 12 . 1 1 59 59 ARG CA C 59 58.500 58.500 57.189 1.311 19367 5199 1 12 . 1 1 59 59 ARG CB C 59 30.268 30.268 30.244 0.024 19367 5200 1 12 . 1 1 59 59 ARG H H 59 8.404 8.404 7.775 0.629 19367 5201 1 12 . 1 1 60 60 ALA N N 60 118.867 118.867 120.645 -1.778 19367 5202 1 12 . 1 1 60 60 ALA HA H 60 4.879 4.879 4.529 0.350 19367 5203 1 12 . 1 1 60 60 ALA CA C 60 51.372 51.372 52.149 -0.777 19367 5204 1 12 . 1 1 60 60 ALA CB C 60 20.539 20.539 19.698 0.841 19367 5205 1 12 . 1 1 60 60 ALA H H 60 7.630 7.630 7.500 0.130 19367 5206 1 12 . 1 1 61 61 LEU N N 61 124.902 124.902 120.761 4.141 19367 5207 1 12 . 1 1 61 61 LEU HA H 61 4.094 4.094 4.123 -0.029 19367 5208 1 12 . 1 1 61 61 LEU CA C 61 58.442 58.442 57.247 1.195 19367 5209 1 12 . 1 1 61 61 LEU CB C 61 42.290 42.290 42.138 0.152 19367 5210 1 12 . 1 1 61 61 LEU H H 61 7.598 7.598 8.170 -0.572 19367 5211 1 12 . 1 1 62 62 ASP N N 62 117.094 117.094 118.829 -1.735 19367 5212 1 12 . 1 1 62 62 ASP HA H 62 4.345 4.345 4.512 -0.167 19367 5213 1 12 . 1 1 62 62 ASP CA C 62 56.690 56.690 55.855 0.835 19367 5214 1 12 . 1 1 62 62 ASP CB C 62 39.812 39.812 40.643 -0.831 19367 5215 1 12 . 1 1 62 62 ASP H H 62 8.686 8.686 8.797 -0.111 19367 5216 1 12 . 1 1 63 63 SER N N 63 112.854 112.854 114.891 -2.037 19367 5217 1 12 . 1 1 63 63 SER HA H 63 4.554 4.554 4.528 0.026 19367 5218 1 12 . 1 1 63 63 SER CA C 63 58.052 58.052 57.236 0.816 19367 5219 1 12 . 1 1 63 63 SER CB C 63 64.719 64.719 64.450 0.269 19367 5220 1 12 . 1 1 63 63 SER H H 63 7.969 7.969 7.465 0.504 19367 5221 1 12 . 1 1 64 64 PHE N N 64 125.623 125.623 123.102 2.521 19367 5222 1 12 . 1 1 64 64 PHE HA H 64 4.238 4.238 3.985 0.253 19367 5223 1 12 . 1 1 64 64 PHE CA C 64 56.826 56.826 58.502 -1.677 19367 5224 1 12 . 1 1 64 64 PHE CB C 64 38.210 38.210 39.413 -1.203 19367 5225 1 12 . 1 1 64 64 PHE H H 64 7.383 7.383 7.286 0.097 19367 5226 1 12 . 1 1 65 65 ARG N N 65 133.273 133.273 123.895 9.378 19367 5227 1 12 . 1 1 65 65 ARG HA H 65 3.861 3.861 4.137 -0.276 19367 5228 1 12 . 1 1 65 65 ARG CA C 65 57.826 57.826 55.747 2.079 19367 5229 1 12 . 1 1 65 65 ARG CB C 65 31.054 31.054 30.532 0.522 19367 5230 1 12 . 1 1 65 65 ARG H H 65 10.968 10.968 8.067 2.901 19367 5231 1 12 . 1 1 66 66 GLY N N 66 103.283 103.283 107.142 -3.859 19367 5232 1 12 . 1 1 66 66 GLY CA C 66 46.309 46.309 44.732 1.577 19367 5233 1 12 . 1 1 66 66 GLY H H 66 5.673 5.673 6.407 -0.734 19367 5234 1 12 . 1 1 67 67 ASP N N 67 120.001 120.001 118.660 1.341 19367 5235 1 12 . 1 1 67 67 ASP HA H 67 4.551 4.551 4.534 0.017 19367 5236 1 12 . 1 1 67 67 ASP CA C 67 55.488 55.488 55.291 0.196 19367 5237 1 12 . 1 1 67 67 ASP CB C 67 40.655 40.655 41.095 -0.440 19367 5238 1 12 . 1 1 67 67 ASP H H 67 7.960 7.960 8.079 -0.119 19367 5239 1 12 . 1 1 68 68 SER N N 68 110.787 110.787 112.187 -1.400 19367 5240 1 12 . 1 1 68 68 SER HA H 68 4.633 4.633 4.565 0.068 19367 5241 1 12 . 1 1 68 68 SER CA C 68 56.762 56.762 57.448 -0.686 19367 5242 1 12 . 1 1 68 68 SER CB C 68 67.439 67.439 64.940 2.499 19367 5243 1 12 . 1 1 68 68 SER H H 68 7.692 7.692 7.438 0.254 19367 5244 1 12 . 1 1 69 69 ALA N N 69 122.464 122.464 124.016 -1.552 19367 5245 1 12 . 1 1 69 69 ALA HA H 69 4.692 4.692 4.422 0.270 19367 5246 1 12 . 1 1 69 69 ALA CA C 69 52.674 52.674 52.700 -0.026 19367 5247 1 12 . 1 1 69 69 ALA CB C 69 18.751 18.751 19.549 -0.798 19367 5248 1 12 . 1 1 69 69 ALA H H 69 9.726 9.726 8.695 1.031 19367 5249 1 12 . 1 1 70 70 PHE N N 70 127.188 127.188 122.766 4.422 19367 5250 1 12 . 1 1 70 70 PHE HA H 70 4.085 4.085 4.133 -0.048 19367 5251 1 12 . 1 1 70 70 PHE CA C 70 62.108 62.108 61.485 0.623 19367 5252 1 12 . 1 1 70 70 PHE CB C 70 39.054 39.054 39.742 -0.688 19367 5253 1 12 . 1 1 70 70 PHE H H 70 9.774 9.774 8.649 1.125 19367 5254 1 12 . 1 1 71 71 TYR N N 71 117.533 117.533 118.152 -0.619 19367 5255 1 12 . 1 1 71 71 TYR HA H 71 3.449 3.449 3.911 -0.462 19367 5256 1 12 . 1 1 71 71 TYR CA C 71 61.684 61.684 61.298 0.386 19367 5257 1 12 . 1 1 71 71 TYR CB C 71 37.072 37.072 37.956 -0.885 19367 5258 1 12 . 1 1 71 71 TYR H H 71 9.720 9.720 8.662 1.058 19367 5259 1 12 . 1 1 72 72 THR N N 72 114.574 114.574 116.523 -1.949 19367 5260 1 12 . 1 1 72 72 THR HA H 72 5.436 5.436 3.956 1.480 19367 5261 1 12 . 1 1 72 72 THR CA C 72 63.426 63.426 66.423 -2.997 19367 5262 1 12 . 1 1 72 72 THR CB C 72 68.762 68.762 68.510 0.252 19367 5263 1 12 . 1 1 72 72 THR H H 72 6.675 6.675 7.784 -1.109 19367 5264 1 12 . 1 1 73 73 TRP N N 73 123.561 123.561 123.020 0.541 19367 5265 1 12 . 1 1 73 73 TRP HA H 73 3.956 3.956 4.521 -0.565 19367 5266 1 12 . 1 1 73 73 TRP CA C 73 62.112 62.112 60.062 2.050 19367 5267 1 12 . 1 1 73 73 TRP CB C 73 28.971 28.971 29.506 -0.535 19367 5268 1 12 . 1 1 73 73 TRP H H 73 6.924 6.924 7.341 -0.417 19367 5269 1 12 . 1 1 74 74 LEU N N 74 118.760 118.760 121.455 -2.695 19367 5270 1 12 . 1 1 74 74 LEU HA H 74 2.960 2.960 3.394 -0.434 19367 5271 1 12 . 1 1 74 74 LEU CA C 74 57.105 57.105 57.101 0.004 19367 5272 1 12 . 1 1 74 74 LEU CB C 74 41.503 41.503 41.440 0.063 19367 5273 1 12 . 1 1 74 74 LEU H H 74 7.903 7.903 7.907 -0.004 19367 5274 1 12 . 1 1 75 75 TYR N N 75 119.616 119.616 119.106 0.510 19367 5275 1 12 . 1 1 75 75 TYR HA H 75 2.928 2.928 3.767 -0.839 19367 5276 1 12 . 1 1 75 75 TYR CA C 75 60.187 60.187 61.526 -1.339 19367 5277 1 12 . 1 1 75 75 TYR CB C 75 37.987 37.987 38.036 -0.049 19367 5278 1 12 . 1 1 75 75 TYR H H 75 8.717 8.717 8.061 0.656 19367 5279 1 12 . 1 1 76 76 ARG N N 76 116.789 116.789 118.859 -2.070 19367 5280 1 12 . 1 1 76 76 ARG HA H 76 3.634 3.634 4.085 -0.451 19367 5281 1 12 . 1 1 76 76 ARG CA C 76 56.003 56.003 57.889 -1.886 19367 5282 1 12 . 1 1 76 76 ARG CB C 76 27.476 27.476 29.167 -1.691 19367 5283 1 12 . 1 1 76 76 ARG H H 76 6.809 6.809 7.414 -0.605 19367 5284 1 12 . 1 1 77 77 ILE N N 77 117.721 117.721 119.339 -1.618 19367 5285 1 12 . 1 1 77 77 ILE HA H 77 2.853 2.853 3.574 -0.721 19367 5286 1 12 . 1 1 77 77 ILE CA C 77 65.599 65.599 64.436 1.163 19367 5287 1 12 . 1 1 77 77 ILE CB C 77 36.937 36.937 37.395 -0.458 19367 5288 1 12 . 1 1 77 77 ILE H H 77 7.316 7.316 7.381 -0.065 19367 5289 1 12 . 1 1 78 78 ALA N N 78 125.528 125.528 123.366 2.162 19367 5290 1 12 . 1 1 78 78 ALA HA H 78 3.369 3.369 3.822 -0.453 19367 5291 1 12 . 1 1 78 78 ALA CA C 78 55.876 55.876 54.898 0.979 19367 5292 1 12 . 1 1 78 78 ALA CB C 78 17.833 17.833 18.061 -0.228 19367 5293 1 12 . 1 1 78 78 ALA H H 78 8.788 8.788 7.506 1.282 19367 5294 1 12 . 1 1 79 79 VAL N N 79 117.392 117.392 117.587 -0.195 19367 5295 1 12 . 1 1 79 79 VAL HA H 79 2.819 2.819 3.545 -0.726 19367 5296 1 12 . 1 1 79 79 VAL CA C 79 67.174 67.174 64.979 2.195 19367 5297 1 12 . 1 1 79 79 VAL CB C 79 31.642 31.642 32.107 -0.465 19367 5298 1 12 . 1 1 79 79 VAL H H 79 8.046 8.046 7.646 0.400 19367 5299 1 12 . 1 1 80 80 ASN N N 80 117.152 117.152 117.106 0.046 19367 5300 1 12 . 1 1 80 80 ASN HA H 80 4.368 4.368 4.579 -0.211 19367 5301 1 12 . 1 1 80 80 ASN CA C 80 55.630 55.630 55.356 0.274 19367 5302 1 12 . 1 1 80 80 ASN CB C 80 36.752 36.752 38.091 -1.339 19367 5303 1 12 . 1 1 80 80 ASN H H 80 8.146 8.146 7.591 0.555 19367 5304 1 12 . 1 1 81 81 THR N N 81 119.140 119.140 117.786 1.354 19367 5305 1 12 . 1 1 81 81 THR HA H 81 3.795 3.795 4.162 -0.367 19367 5306 1 12 . 1 1 81 81 THR CA C 81 67.441 67.441 66.123 1.318 19367 5307 1 12 . 1 1 81 81 THR CB C 81 68.102 68.102 68.722 -0.620 19367 5308 1 12 . 1 1 81 81 THR H H 81 8.320 8.320 8.054 0.266 19367 5309 1 12 . 1 1 82 82 ALA N N 82 124.957 124.957 123.380 1.577 19367 5310 1 12 . 1 1 82 82 ALA HA H 82 3.789 3.789 4.053 -0.264 19367 5311 1 12 . 1 1 82 82 ALA CA C 82 55.415 55.415 54.806 0.609 19367 5312 1 12 . 1 1 82 82 ALA CB C 82 18.020 18.020 18.203 -0.183 19367 5313 1 12 . 1 1 82 82 ALA H H 82 8.037 8.037 7.712 0.325 19367 5314 1 12 . 1 1 83 83 LYS N N 83 116.190 116.190 117.186 -0.996 19367 5315 1 12 . 1 1 83 83 LYS HA H 83 3.815 3.815 4.030 -0.215 19367 5316 1 12 . 1 1 83 83 LYS CA C 83 60.160 60.160 58.796 1.364 19367 5317 1 12 . 1 1 83 83 LYS CB C 83 32.312 32.312 32.477 -0.165 19367 5318 1 12 . 1 1 83 83 LYS H H 83 8.314 8.314 7.623 0.691 19367 5319 1 12 . 1 1 84 84 ASN N N 84 117.083 117.083 117.672 -0.589 19367 5320 1 12 . 1 1 84 84 ASN HA H 84 4.486 4.486 4.499 -0.013 19367 5321 1 12 . 1 1 84 84 ASN CA C 84 55.213 55.213 54.809 0.404 19367 5322 1 12 . 1 1 84 84 ASN CB C 84 38.461 38.461 38.459 0.002 19367 5323 1 12 . 1 1 84 84 ASN H H 84 8.004 8.004 7.755 0.249 19367 5324 1 12 . 1 1 85 85 TYR N N 85 122.935 122.935 121.090 1.845 19367 5325 1 12 . 1 1 85 85 TYR HA H 85 4.147 4.147 4.282 -0.135 19367 5326 1 12 . 1 1 85 85 TYR CA C 85 61.408 61.408 61.234 0.174 19367 5327 1 12 . 1 1 85 85 TYR CB C 85 38.428 38.428 38.673 -0.245 19367 5328 1 12 . 1 1 85 85 TYR H H 85 7.935 7.935 7.584 0.351 19367 5329 1 12 . 1 1 86 86 LEU N N 86 119.119 119.119 117.007 2.112 19367 5330 1 12 . 1 1 86 86 LEU HA H 86 3.998 3.998 3.847 0.151 19367 5331 1 12 . 1 1 86 86 LEU CA C 86 57.647 57.647 57.040 0.607 19367 5332 1 12 . 1 1 86 86 LEU CB C 86 41.906 41.906 42.069 -0.163 19367 5333 1 12 . 1 1 86 86 LEU H H 86 7.810 7.810 7.590 0.220 19367 5334 1 12 . 1 1 87 87 VAL N N 87 118.991 118.991 113.293 5.698 19367 5335 1 12 . 1 1 87 87 VAL HA H 87 3.806 3.806 3.981 -0.175 19367 5336 1 12 . 1 1 87 87 VAL CA C 87 64.989 64.989 64.046 0.943 19367 5337 1 12 . 1 1 87 87 VAL CB C 87 32.126 32.126 31.392 0.734 19367 5338 1 12 . 1 1 87 87 VAL H H 87 7.701 7.701 7.364 0.337 19367 5339 1 12 . 1 1 88 88 ALA N N 88 123.643 123.643 122.017 1.626 19367 5340 1 12 . 1 1 88 88 ALA HA H 88 4.088 4.088 4.021 0.067 19367 5341 1 12 . 1 1 88 88 ALA CA C 88 54.188 54.188 54.298 -0.110 19367 5342 1 12 . 1 1 88 88 ALA CB C 88 18.460 18.460 18.658 -0.198 19367 5343 1 12 . 1 1 88 88 ALA H H 88 7.978 7.978 7.357 0.621 19367 5344 1 12 . 1 1 89 89 GLN N N 89 116.659 116.659 114.480 2.179 19367 5345 1 12 . 1 1 89 89 GLN HA H 89 4.024 4.024 4.353 -0.329 19367 5346 1 12 . 1 1 89 89 GLN CA C 89 56.818 56.818 56.122 0.696 19367 5347 1 12 . 1 1 89 89 GLN CB C 89 28.776 28.776 29.642 -0.866 19367 5348 1 12 . 1 1 89 89 GLN H H 89 7.974 7.974 7.562 0.412 19367 5349 1 12 . 1 1 90 90 GLY N N 90 107.464 107.464 108.431 -0.967 19367 5350 1 12 . 1 1 90 90 GLY CA C 90 45.782 45.782 46.022 -0.240 19367 5351 1 12 . 1 1 90 90 GLY H H 90 7.967 7.967 7.762 0.205 19367 5352 1 12 . 1 1 91 91 ARG N N 91 119.736 119.736 117.855 1.881 19367 5353 1 12 . 1 1 91 91 ARG HA H 91 4.299 4.299 4.576 -0.277 19367 5354 1 12 . 1 1 91 91 ARG CA C 91 56.216 56.216 53.786 2.430 19367 5355 1 12 . 1 1 91 91 ARG CB C 91 30.805 30.805 30.566 0.239 19367 5356 1 12 . 1 1 91 91 ARG H H 91 7.824 7.824 7.548 0.276 19367 5357 1 12 . 1 1 92 92 ARG N N 92 120.592 120.592 123.272 -2.680 19367 5358 1 12 . 1 1 92 92 ARG HA H 92 4.270 4.270 4.108 0.162 19367 5359 1 12 . 1 1 92 92 ARG CA C 92 56.451 56.451 57.663 -1.212 19367 5360 1 12 . 1 1 92 92 ARG CB C 92 30.658 30.658 29.881 0.777 19367 5361 1 12 . 1 1 92 92 ARG H H 92 8.038 8.038 7.226 0.812 19367 5362 1 12 . 1 1 93 93 LEU N N 93 122.274 122.274 121.997 0.277 19367 5363 1 12 . 1 1 93 93 LEU HA H 93 4.258 4.258 4.085 0.173 19367 5364 1 12 . 1 1 93 93 LEU CA C 93 55.463 55.463 56.300 -0.837 19367 5365 1 12 . 1 1 93 93 LEU CB C 93 42.203 42.203 40.553 1.650 19367 5366 1 12 . 1 1 93 93 LEU H H 93 8.147 8.147 8.633 -0.486 19367 5367 1 12 . 1 1 94 94 GLU N N 94 120.794 120.794 119.663 1.131 19367 5368 1 12 . 1 1 94 94 GLU HA H 94 4.249 4.249 4.318 -0.069 19367 5369 1 12 . 1 1 94 94 GLU CA C 94 56.557 56.557 56.106 0.451 19367 5370 1 12 . 1 1 94 94 GLU CB C 94 30.103 30.103 30.235 -0.132 19367 5371 1 12 . 1 1 94 94 GLU H H 94 8.241 8.241 7.820 0.421 19367 5372 1 12 . 1 1 95 95 LEU N N 95 122.290 122.290 118.020 4.270 19367 5373 1 12 . 1 1 95 95 LEU HA H 95 4.312 4.312 3.953 0.359 19367 5374 1 12 . 1 1 95 95 LEU CA C 95 55.080 55.080 55.801 -0.721 19367 5375 1 12 . 1 1 95 95 LEU CB C 95 42.130 42.130 41.372 0.758 19367 5376 1 12 . 1 1 95 95 LEU H H 95 8.068 8.068 8.246 -0.178 19367 5377 1 13 . 1 1 4 4 GLN N N 4 121.848 121.848 116.375 5.473 19367 5378 1 13 . 1 1 4 4 GLN HA H 4 4.307 4.307 4.508 -0.201 19367 5379 1 13 . 1 1 4 4 GLN CA C 4 55.724 55.724 54.736 0.988 19367 5380 1 13 . 1 1 4 4 GLN CB C 4 29.297 29.297 31.490 -2.193 19367 5381 1 13 . 1 1 4 4 GLN H H 4 8.500 8.500 7.703 0.797 19367 5382 1 13 . 1 1 5 5 LEU N N 5 124.347 124.347 122.030 2.317 19367 5383 1 13 . 1 1 5 5 LEU HA H 5 4.548 4.548 4.716 -0.168 19367 5384 1 13 . 1 1 5 5 LEU CA C 5 53.785 53.785 54.309 -0.524 19367 5385 1 13 . 1 1 5 5 LEU CB C 5 41.886 41.886 41.965 -0.079 19367 5386 1 13 . 1 1 5 5 LEU H H 5 8.565 8.565 8.692 -0.127 19367 5387 1 13 . 1 1 6 6 THR N N 6 114.442 114.442 111.634 2.808 19367 5388 1 13 . 1 1 6 6 THR HA H 6 4.353 4.353 4.176 0.177 19367 5389 1 13 . 1 1 6 6 THR CA C 6 61.195 61.195 61.562 -0.367 19367 5390 1 13 . 1 1 6 6 THR CB C 6 70.541 70.541 69.953 0.588 19367 5391 1 13 . 1 1 6 6 THR H H 6 7.950 7.950 7.688 0.262 19367 5392 1 13 . 1 1 7 7 ASP N N 7 120.959 120.959 118.454 2.505 19367 5393 1 13 . 1 1 7 7 ASP HA H 7 4.197 4.197 4.283 -0.086 19367 5394 1 13 . 1 1 7 7 ASP CA C 7 57.820 57.820 57.042 0.777 19367 5395 1 13 . 1 1 7 7 ASP CB C 7 39.621 39.621 40.203 -0.582 19367 5396 1 13 . 1 1 7 7 ASP H H 7 9.008 9.008 9.074 -0.066 19367 5397 1 13 . 1 1 8 8 GLN N N 8 116.649 116.649 119.820 -3.171 19367 5398 1 13 . 1 1 8 8 GLN HA H 8 4.012 4.012 4.118 -0.106 19367 5399 1 13 . 1 1 8 8 GLN CA C 8 59.746 59.746 58.679 1.067 19367 5400 1 13 . 1 1 8 8 GLN CB C 8 28.188 28.188 28.679 -0.491 19367 5401 1 13 . 1 1 8 8 GLN H H 8 8.561 8.561 7.599 0.962 19367 5402 1 13 . 1 1 9 9 VAL N N 9 120.579 120.579 119.370 1.209 19367 5403 1 13 . 1 1 9 9 VAL HA H 9 3.760 3.760 4.146 -0.386 19367 5404 1 13 . 1 1 9 9 VAL CA C 9 66.108 66.108 63.727 2.381 19367 5405 1 13 . 1 1 9 9 VAL CB C 9 31.558 31.558 32.045 -0.487 19367 5406 1 13 . 1 1 9 9 VAL H H 9 7.450 7.450 7.504 -0.054 19367 5407 1 13 . 1 1 10 10 LEU N N 10 119.806 119.806 121.028 -1.222 19367 5408 1 13 . 1 1 10 10 LEU HA H 10 3.917 3.917 4.187 -0.270 19367 5409 1 13 . 1 1 10 10 LEU CA C 10 58.415 58.415 57.558 0.857 19367 5410 1 13 . 1 1 10 10 LEU CB C 10 41.299 41.299 42.046 -0.747 19367 5411 1 13 . 1 1 10 10 LEU H H 10 7.865 7.865 7.433 0.432 19367 5412 1 13 . 1 1 11 11 VAL N N 11 119.041 119.041 118.414 0.627 19367 5413 1 13 . 1 1 11 11 VAL HA H 11 3.280 3.280 3.457 -0.177 19367 5414 1 13 . 1 1 11 11 VAL CA C 11 67.631 67.631 66.735 0.896 19367 5415 1 13 . 1 1 11 11 VAL CB C 11 31.723 31.723 31.649 0.073 19367 5416 1 13 . 1 1 11 11 VAL H H 11 8.734 8.734 8.075 0.659 19367 5417 1 13 . 1 1 12 12 GLU N N 12 119.018 119.018 118.128 0.890 19367 5418 1 13 . 1 1 12 12 GLU HA H 12 4.110 4.110 4.092 0.018 19367 5419 1 13 . 1 1 12 12 GLU CA C 12 59.514 59.514 58.562 0.952 19367 5420 1 13 . 1 1 12 12 GLU CB C 12 28.603 28.603 28.879 -0.276 19367 5421 1 13 . 1 1 12 12 GLU H H 12 7.802 7.802 7.736 0.066 19367 5422 1 13 . 1 1 13 13 ARG N N 13 117.242 117.242 120.328 -3.086 19367 5423 1 13 . 1 1 13 13 ARG HA H 13 4.011 4.011 4.151 -0.140 19367 5424 1 13 . 1 1 13 13 ARG CA C 13 60.016 60.016 58.977 1.039 19367 5425 1 13 . 1 1 13 13 ARG CB C 13 27.737 27.737 30.232 -2.495 19367 5426 1 13 . 1 1 13 13 ARG H H 13 8.107 8.107 7.521 0.586 19367 5427 1 13 . 1 1 14 14 VAL N N 14 121.430 121.430 119.189 2.241 19367 5428 1 13 . 1 1 14 14 VAL HA H 14 3.767 3.767 4.134 -0.367 19367 5429 1 13 . 1 1 14 14 VAL CA C 14 66.462 66.462 65.635 0.827 19367 5430 1 13 . 1 1 14 14 VAL CB C 14 31.616 31.616 31.895 -0.279 19367 5431 1 13 . 1 1 14 14 VAL H H 14 8.435 8.435 7.504 0.931 19367 5432 1 13 . 1 1 15 15 GLN N N 15 120.667 120.667 119.098 1.569 19367 5433 1 13 . 1 1 15 15 GLN HA H 15 4.088 4.088 4.092 -0.004 19367 5434 1 13 . 1 1 15 15 GLN CA C 15 58.628 58.628 58.177 0.451 19367 5435 1 13 . 1 1 15 15 GLN CB C 15 27.995 27.995 28.472 -0.477 19367 5436 1 13 . 1 1 15 15 GLN H H 15 8.670 8.670 7.708 0.962 19367 5437 1 13 . 1 1 16 16 LYS N N 16 116.797 116.797 117.520 -0.723 19367 5438 1 13 . 1 1 16 16 LYS HA H 16 4.374 4.374 4.292 0.082 19367 5439 1 13 . 1 1 16 16 LYS CA C 16 56.278 56.278 56.131 0.147 19367 5440 1 13 . 1 1 16 16 LYS CB C 16 32.299 32.299 32.197 0.102 19367 5441 1 13 . 1 1 16 16 LYS H H 16 7.700 7.700 7.446 0.254 19367 5442 1 13 . 1 1 17 17 GLY N N 17 107.001 107.001 108.035 -1.034 19367 5443 1 13 . 1 1 17 17 GLY CA C 17 45.608 45.608 44.910 0.698 19367 5444 1 13 . 1 1 17 17 GLY H H 17 7.927 7.927 7.773 0.154 19367 5445 1 13 . 1 1 18 18 ASP N N 18 121.666 121.666 121.806 -0.140 19367 5446 1 13 . 1 1 18 18 ASP HA H 18 4.769 4.769 4.715 0.054 19367 5447 1 13 . 1 1 18 18 ASP CA C 18 52.999 52.999 53.933 -0.934 19367 5448 1 13 . 1 1 18 18 ASP CB C 18 40.814 40.814 41.338 -0.524 19367 5449 1 13 . 1 1 18 18 ASP H H 18 8.255 8.255 7.597 0.658 19367 5450 1 13 . 1 1 19 19 GLN N N 19 124.874 124.874 125.670 -0.796 19367 5451 1 13 . 1 1 19 19 GLN HA H 19 4.150 4.150 4.364 -0.213 19367 5452 1 13 . 1 1 19 19 GLN CA C 19 58.922 58.922 58.125 0.797 19367 5453 1 13 . 1 1 19 19 GLN CB C 19 28.759 28.759 29.034 -0.275 19367 5454 1 13 . 1 1 19 19 GLN H H 19 8.392 8.392 8.692 -0.300 19367 5455 1 13 . 1 1 20 20 LYS N N 20 119.006 119.006 119.028 -0.022 19367 5456 1 13 . 1 1 20 20 LYS HA H 20 4.118 4.118 4.175 -0.057 19367 5457 1 13 . 1 1 20 20 LYS CA C 20 58.642 58.642 58.168 0.474 19367 5458 1 13 . 1 1 20 20 LYS CB C 20 31.678 31.678 32.115 -0.437 19367 5459 1 13 . 1 1 20 20 LYS H H 20 8.348 8.348 8.147 0.201 19367 5460 1 13 . 1 1 21 21 ALA N N 21 121.687 121.687 122.189 -0.502 19367 5461 1 13 . 1 1 21 21 ALA HA H 21 4.010 4.010 4.145 -0.135 19367 5462 1 13 . 1 1 21 21 ALA CA C 21 54.485 54.485 54.945 -0.460 19367 5463 1 13 . 1 1 21 21 ALA CB C 21 18.634 18.634 18.297 0.337 19367 5464 1 13 . 1 1 21 21 ALA H H 21 7.500 7.500 8.320 -0.820 19367 5465 1 13 . 1 1 22 22 PHE N N 22 117.219 117.219 118.174 -0.955 19367 5466 1 13 . 1 1 22 22 PHE HA H 22 3.994 3.994 4.286 -0.292 19367 5467 1 13 . 1 1 22 22 PHE CA C 22 61.907 61.907 60.651 1.256 19367 5468 1 13 . 1 1 22 22 PHE CB C 22 38.571 38.571 39.675 -1.104 19367 5469 1 13 . 1 1 22 22 PHE H H 22 7.810 7.810 7.527 0.283 19367 5470 1 13 . 1 1 23 23 ASN N N 23 115.600 115.600 118.987 -3.387 19367 5471 1 13 . 1 1 23 23 ASN HA H 23 4.163 4.163 4.349 -0.186 19367 5472 1 13 . 1 1 23 23 ASN CA C 23 56.264 56.264 56.443 -0.179 19367 5473 1 13 . 1 1 23 23 ASN CB C 23 38.131 38.131 38.451 -0.320 19367 5474 1 13 . 1 1 23 23 ASN H H 23 7.711 7.711 7.753 -0.042 19367 5475 1 13 . 1 1 24 24 LEU N N 24 117.605 117.605 119.292 -1.687 19367 5476 1 13 . 1 1 24 24 LEU HA H 24 3.999 3.999 4.160 -0.161 19367 5477 1 13 . 1 1 24 24 LEU CA C 24 57.811 57.811 57.059 0.752 19367 5478 1 13 . 1 1 24 24 LEU CB C 24 41.367 41.367 41.015 0.352 19367 5479 1 13 . 1 1 24 24 LEU H H 24 7.344 7.344 7.578 -0.234 19367 5480 1 13 . 1 1 25 25 LEU N N 25 120.426 120.426 120.830 -0.404 19367 5481 1 13 . 1 1 25 25 LEU HA H 25 3.938 3.938 4.079 -0.141 19367 5482 1 13 . 1 1 25 25 LEU CA C 25 57.863 57.863 57.519 0.344 19367 5483 1 13 . 1 1 25 25 LEU CB C 25 41.479 41.479 41.551 -0.072 19367 5484 1 13 . 1 1 25 25 LEU H H 25 7.036 7.036 7.212 -0.176 19367 5485 1 13 . 1 1 26 26 VAL N N 26 119.676 119.676 119.435 0.241 19367 5486 1 13 . 1 1 26 26 VAL HA H 26 2.857 2.857 2.710 0.147 19367 5487 1 13 . 1 1 26 26 VAL CA C 26 65.821 65.821 66.571 -0.750 19367 5488 1 13 . 1 1 26 26 VAL CB C 26 30.816 30.816 30.990 -0.174 19367 5489 1 13 . 1 1 26 26 VAL H H 26 7.369 7.369 7.738 -0.369 19367 5490 1 13 . 1 1 27 27 VAL N N 27 117.098 117.098 117.454 -0.356 19367 5491 1 13 . 1 1 27 27 VAL HA H 27 3.542 3.542 3.519 0.023 19367 5492 1 13 . 1 1 27 27 VAL CA C 27 65.837 65.837 65.605 0.232 19367 5493 1 13 . 1 1 27 27 VAL CB C 27 31.728 31.728 31.338 0.390 19367 5494 1 13 . 1 1 27 27 VAL H H 27 7.816 7.816 7.347 0.469 19367 5495 1 13 . 1 1 28 28 ARG N N 28 118.592 118.592 119.435 -0.843 19367 5496 1 13 . 1 1 28 28 ARG HA H 28 3.838 3.838 3.964 -0.126 19367 5497 1 13 . 1 1 28 28 ARG CA C 28 59.356 59.356 58.563 0.793 19367 5498 1 13 . 1 1 28 28 ARG CB C 28 31.069 31.069 30.232 0.837 19367 5499 1 13 . 1 1 28 28 ARG H H 28 7.491 7.491 7.372 0.119 19367 5500 1 13 . 1 1 29 29 TYR N N 29 112.635 112.635 115.959 -3.324 19367 5501 1 13 . 1 1 29 29 TYR HA H 29 4.945 4.945 4.908 0.037 19367 5502 1 13 . 1 1 29 29 TYR CA C 29 60.438 60.438 58.046 2.392 19367 5503 1 13 . 1 1 29 29 TYR CB C 29 40.619 40.619 39.214 1.405 19367 5504 1 13 . 1 1 29 29 TYR H H 29 7.675 7.675 7.506 0.169 19367 5505 1 13 . 1 1 30 30 GLN N N 30 123.043 123.043 121.641 1.402 19367 5506 1 13 . 1 1 30 30 GLN HA H 30 4.119 4.119 4.244 -0.125 19367 5507 1 13 . 1 1 30 30 GLN CA C 30 61.409 61.409 59.758 1.651 19367 5508 1 13 . 1 1 30 30 GLN CB C 30 26.933 26.933 28.279 -1.346 19367 5509 1 13 . 1 1 30 30 GLN H H 30 9.056 9.056 7.939 1.117 19367 5510 1 13 . 1 1 31 31 HIS N N 31 118.704 118.704 116.012 2.692 19367 5511 1 13 . 1 1 31 31 HIS HA H 31 4.435 4.435 4.595 -0.160 19367 5512 1 13 . 1 1 31 31 HIS CA C 31 59.580 59.580 58.533 1.047 19367 5513 1 13 . 1 1 31 31 HIS CB C 31 29.396 29.396 30.023 -0.628 19367 5514 1 13 . 1 1 31 31 HIS H H 31 8.616 8.616 8.473 0.143 19367 5515 1 13 . 1 1 32 32 LYS N N 32 122.594 122.594 120.491 2.103 19367 5516 1 13 . 1 1 32 32 LYS HA H 32 4.029 4.029 4.338 -0.309 19367 5517 1 13 . 1 1 32 32 LYS CA C 32 59.869 59.869 58.757 1.112 19367 5518 1 13 . 1 1 32 32 LYS CB C 32 32.580 32.580 32.796 -0.216 19367 5519 1 13 . 1 1 32 32 LYS H H 32 7.848 7.848 7.560 0.288 19367 5520 1 13 . 1 1 33 33 VAL N N 33 119.621 119.621 119.594 0.027 19367 5521 1 13 . 1 1 33 33 VAL HA H 33 3.480 3.480 3.918 -0.438 19367 5522 1 13 . 1 1 33 33 VAL CA C 33 66.671 66.671 64.486 2.185 19367 5523 1 13 . 1 1 33 33 VAL CB C 33 31.142 31.142 31.842 -0.700 19367 5524 1 13 . 1 1 33 33 VAL H H 33 8.653 8.653 8.789 -0.136 19367 5525 1 13 . 1 1 34 34 ALA N N 34 122.622 122.622 121.781 0.841 19367 5526 1 13 . 1 1 34 34 ALA HA H 34 3.736 3.736 4.085 -0.349 19367 5527 1 13 . 1 1 34 34 ALA CA C 34 55.762 55.762 54.858 0.904 19367 5528 1 13 . 1 1 34 34 ALA CB C 34 17.681 17.681 18.306 -0.625 19367 5529 1 13 . 1 1 34 34 ALA H H 34 8.498 8.498 7.812 0.686 19367 5530 1 13 . 1 1 35 35 SER N N 35 113.674 113.674 114.304 -0.630 19367 5531 1 13 . 1 1 35 35 SER HA H 35 4.040 4.040 4.303 -0.263 19367 5532 1 13 . 1 1 35 35 SER CA C 35 61.765 61.765 60.377 1.388 19367 5533 1 13 . 1 1 35 35 SER CB C 35 62.766 62.766 63.454 -0.688 19367 5534 1 13 . 1 1 35 35 SER H H 35 7.897 7.897 7.661 0.236 19367 5535 1 13 . 1 1 36 36 LEU N N 36 123.203 123.203 123.048 0.155 19367 5536 1 13 . 1 1 36 36 LEU HA H 36 3.992 3.992 4.262 -0.270 19367 5537 1 13 . 1 1 36 36 LEU CA C 36 57.863 57.863 57.652 0.211 19367 5538 1 13 . 1 1 36 36 LEU CB C 36 42.718 42.718 41.851 0.867 19367 5539 1 13 . 1 1 36 36 LEU H H 36 7.494 7.494 7.290 0.204 19367 5540 1 13 . 1 1 37 37 VAL N N 37 114.122 114.122 116.000 -1.878 19367 5541 1 13 . 1 1 37 37 VAL HA H 37 3.627 3.627 4.101 -0.474 19367 5542 1 13 . 1 1 37 37 VAL CA C 37 65.879 65.879 65.175 0.704 19367 5543 1 13 . 1 1 37 37 VAL CB C 37 31.214 31.214 31.246 -0.032 19367 5544 1 13 . 1 1 37 37 VAL H H 37 8.530 8.530 8.154 0.376 19367 5545 1 13 . 1 1 38 38 SER N N 38 116.259 116.259 114.797 1.462 19367 5546 1 13 . 1 1 38 38 SER HA H 38 4.276 4.276 4.361 -0.085 19367 5547 1 13 . 1 1 38 38 SER CA C 38 60.898 60.898 60.359 0.539 19367 5548 1 13 . 1 1 38 38 SER CB C 38 63.143 63.143 63.100 0.043 19367 5549 1 13 . 1 1 38 38 SER H H 38 8.136 8.136 7.731 0.405 19367 5550 1 13 . 1 1 39 39 ARG N N 39 119.029 119.029 119.213 -0.184 19367 5551 1 13 . 1 1 39 39 ARG HA H 39 3.995 3.995 3.977 0.018 19367 5552 1 13 . 1 1 39 39 ARG CA C 39 57.640 57.640 57.545 0.095 19367 5553 1 13 . 1 1 39 39 ARG CB C 39 29.719 29.719 30.038 -0.319 19367 5554 1 13 . 1 1 39 39 ARG H H 39 7.310 7.310 7.405 -0.095 19367 5555 1 13 . 1 1 40 40 TYR N N 40 114.123 114.123 115.350 -1.227 19367 5556 1 13 . 1 1 40 40 TYR HA H 40 4.472 4.472 4.678 -0.206 19367 5557 1 13 . 1 1 40 40 TYR CA C 40 59.298 59.298 57.932 1.366 19367 5558 1 13 . 1 1 40 40 TYR CB C 40 42.809 42.809 41.050 1.759 19367 5559 1 13 . 1 1 40 40 TYR H H 40 7.786 7.786 7.781 0.005 19367 5560 1 13 . 1 1 41 41 VAL N N 41 112.721 112.721 114.174 -1.453 19367 5561 1 13 . 1 1 41 41 VAL HA H 41 4.853 4.853 4.727 0.126 19367 5562 1 13 . 1 1 41 41 VAL CA C 41 57.942 57.942 58.275 -0.333 19367 5563 1 13 . 1 1 41 41 VAL CB C 41 33.171 33.171 33.464 -0.293 19367 5564 1 13 . 1 1 41 41 VAL H H 41 7.388 7.388 7.833 -0.445 19367 5565 1 13 . 1 1 42 42 PRO HA H 42 4.415 4.415 4.729 -0.314 19367 5566 1 13 . 1 1 42 42 PRO CA C 42 62.645 62.645 62.672 -0.027 19367 5567 1 13 . 1 1 42 42 PRO CB C 42 32.603 32.603 32.778 -0.175 19367 5568 1 13 . 1 1 43 43 SER N N 43 116.784 116.784 115.534 1.250 19367 5569 1 13 . 1 1 43 43 SER HA H 43 4.009 4.009 4.188 -0.179 19367 5570 1 13 . 1 1 43 43 SER CA C 43 62.098 62.098 60.267 1.831 19367 5571 1 13 . 1 1 43 43 SER CB C 43 62.862 62.862 62.773 0.089 19367 5572 1 13 . 1 1 43 43 SER H H 43 8.602 8.602 8.522 0.080 19367 5573 1 13 . 1 1 44 44 GLY N N 44 107.756 107.756 108.796 -1.040 19367 5574 1 13 . 1 1 44 44 GLY CA C 44 46.503 46.503 45.829 0.674 19367 5575 1 13 . 1 1 44 44 GLY H H 44 8.812 8.812 8.157 0.655 19367 5576 1 13 . 1 1 45 45 ASP N N 45 117.822 117.822 120.040 -2.218 19367 5577 1 13 . 1 1 45 45 ASP HA H 45 4.875 4.875 4.897 -0.022 19367 5578 1 13 . 1 1 45 45 ASP CA C 45 54.770 54.770 53.850 0.920 19367 5579 1 13 . 1 1 45 45 ASP CB C 45 42.593 42.593 42.448 0.145 19367 5580 1 13 . 1 1 45 45 ASP H H 45 7.764 7.764 8.102 -0.338 19367 5581 1 13 . 1 1 46 46 VAL N N 46 119.385 119.385 122.050 -2.665 19367 5582 1 13 . 1 1 46 46 VAL HA H 46 3.233 3.233 3.720 -0.487 19367 5583 1 13 . 1 1 46 46 VAL CA C 46 68.546 68.546 69.159 -0.613 19367 5584 1 13 . 1 1 46 46 VAL CB C 46 29.851 29.851 29.773 0.078 19367 5585 1 13 . 1 1 46 46 VAL H H 46 7.148 7.148 7.432 -0.284 19367 5586 1 13 . 1 1 47 47 PRO HA H 47 4.113 4.113 4.272 -0.159 19367 5587 1 13 . 1 1 47 47 PRO CA C 47 66.527 66.527 65.711 0.816 19367 5588 1 13 . 1 1 47 47 PRO CB C 47 28.496 28.496 30.948 -2.452 19367 5589 1 13 . 1 1 48 48 ASP N N 48 116.654 116.654 119.389 -2.735 19367 5590 1 13 . 1 1 48 48 ASP HA H 48 4.384 4.384 4.537 -0.153 19367 5591 1 13 . 1 1 48 48 ASP CA C 48 57.268 57.268 57.253 0.015 19367 5592 1 13 . 1 1 48 48 ASP CB C 48 40.657 40.657 40.858 -0.201 19367 5593 1 13 . 1 1 48 48 ASP H H 48 7.473 7.473 7.463 0.010 19367 5594 1 13 . 1 1 49 49 VAL N N 49 121.848 121.848 120.060 1.788 19367 5595 1 13 . 1 1 49 49 VAL HA H 49 3.364 3.364 3.712 -0.348 19367 5596 1 13 . 1 1 49 49 VAL CA C 49 66.354 66.354 64.587 1.767 19367 5597 1 13 . 1 1 49 49 VAL CB C 49 30.961 30.961 31.316 -0.355 19367 5598 1 13 . 1 1 49 49 VAL H H 49 7.600 7.600 7.822 -0.223 19367 5599 1 13 . 1 1 50 50 VAL N N 50 119.961 119.961 120.169 -0.208 19367 5600 1 13 . 1 1 50 50 VAL HA H 50 3.176 3.176 3.581 -0.405 19367 5601 1 13 . 1 1 50 50 VAL CA C 50 67.270 67.270 66.599 0.671 19367 5602 1 13 . 1 1 50 50 VAL CB C 50 31.662 31.662 31.452 0.210 19367 5603 1 13 . 1 1 50 50 VAL H H 50 8.567 8.567 8.512 0.055 19367 5604 1 13 . 1 1 51 51 GLN N N 51 116.203 116.203 118.542 -2.339 19367 5605 1 13 . 1 1 51 51 GLN HA H 51 4.204 4.204 4.238 -0.034 19367 5606 1 13 . 1 1 51 51 GLN CA C 51 59.334 59.334 58.550 0.784 19367 5607 1 13 . 1 1 51 51 GLN CB C 51 28.717 28.717 28.471 0.246 19367 5608 1 13 . 1 1 51 51 GLN H H 51 7.802 7.802 7.706 0.096 19367 5609 1 13 . 1 1 52 52 GLU N N 52 119.616 119.616 119.837 -0.221 19367 5610 1 13 . 1 1 52 52 GLU HA H 52 4.085 4.085 4.190 -0.105 19367 5611 1 13 . 1 1 52 52 GLU CA C 52 59.267 59.267 58.373 0.894 19367 5612 1 13 . 1 1 52 52 GLU CB C 52 29.178 29.178 29.525 -0.347 19367 5613 1 13 . 1 1 52 52 GLU H H 52 7.880 7.880 7.680 0.200 19367 5614 1 13 . 1 1 53 53 ALA N N 53 120.964 120.964 121.688 -0.724 19367 5615 1 13 . 1 1 53 53 ALA HA H 53 3.713 3.713 4.112 -0.399 19367 5616 1 13 . 1 1 53 53 ALA CA C 53 55.176 55.176 54.259 0.917 19367 5617 1 13 . 1 1 53 53 ALA CB C 53 16.573 16.573 18.308 -1.734 19367 5618 1 13 . 1 1 53 53 ALA H H 53 8.381 8.381 7.408 0.973 19367 5619 1 13 . 1 1 54 54 PHE N N 54 113.370 113.370 117.733 -4.363 19367 5620 1 13 . 1 1 54 54 PHE HA H 54 4.329 4.329 4.578 -0.249 19367 5621 1 13 . 1 1 54 54 PHE CA C 54 63.496 63.496 61.106 2.390 19367 5622 1 13 . 1 1 54 54 PHE CB C 54 39.097 39.097 39.347 -0.250 19367 5623 1 13 . 1 1 54 54 PHE H H 54 7.942 7.942 7.778 0.164 19367 5624 1 13 . 1 1 55 55 ILE N N 55 121.983 121.983 120.095 1.888 19367 5625 1 13 . 1 1 55 55 ILE HA H 55 3.946 3.946 3.931 0.015 19367 5626 1 13 . 1 1 55 55 ILE CA C 55 64.969 64.969 63.475 1.494 19367 5627 1 13 . 1 1 55 55 ILE CB C 55 37.589 37.589 37.661 -0.072 19367 5628 1 13 . 1 1 55 55 ILE H H 55 8.373 8.373 7.866 0.507 19367 5629 1 13 . 1 1 56 56 LYS N N 56 120.661 120.661 120.953 -0.292 19367 5630 1 13 . 1 1 56 56 LYS HA H 56 3.860 3.860 4.128 -0.269 19367 5631 1 13 . 1 1 56 56 LYS CA C 56 59.835 59.835 58.614 1.221 19367 5632 1 13 . 1 1 56 56 LYS CB C 56 31.904 31.904 31.942 -0.038 19367 5633 1 13 . 1 1 56 56 LYS H H 56 8.318 8.318 7.761 0.557 19367 5634 1 13 . 1 1 57 57 ALA N N 57 119.884 119.884 121.963 -2.079 19367 5635 1 13 . 1 1 57 57 ALA HA H 57 3.784 3.784 4.172 -0.388 19367 5636 1 13 . 1 1 57 57 ALA CA C 57 54.552 54.552 54.794 -0.242 19367 5637 1 13 . 1 1 57 57 ALA CB C 57 18.251 18.251 18.491 -0.240 19367 5638 1 13 . 1 1 57 57 ALA H H 57 7.937 7.937 7.508 0.429 19367 5639 1 13 . 1 1 58 58 TYR N N 58 116.541 116.541 119.635 -3.094 19367 5640 1 13 . 1 1 58 58 TYR HA H 58 3.549 3.549 3.707 -0.158 19367 5641 1 13 . 1 1 58 58 TYR CA C 58 61.528 61.528 61.356 0.172 19367 5642 1 13 . 1 1 58 58 TYR CB C 58 37.885 37.885 38.471 -0.586 19367 5643 1 13 . 1 1 58 58 TYR H H 58 8.404 8.404 8.208 0.196 19367 5644 1 13 . 1 1 59 59 ARG N N 59 116.321 116.321 115.415 0.906 19367 5645 1 13 . 1 1 59 59 ARG HA H 59 3.791 3.791 4.106 -0.315 19367 5646 1 13 . 1 1 59 59 ARG CA C 59 58.500 58.500 56.849 1.651 19367 5647 1 13 . 1 1 59 59 ARG CB C 59 30.268 30.268 30.370 -0.103 19367 5648 1 13 . 1 1 59 59 ARG H H 59 8.404 8.404 7.686 0.718 19367 5649 1 13 . 1 1 60 60 ALA N N 60 118.867 118.867 120.469 -1.602 19367 5650 1 13 . 1 1 60 60 ALA HA H 60 4.879 4.879 4.611 0.268 19367 5651 1 13 . 1 1 60 60 ALA CA C 60 51.372 51.372 51.850 -0.478 19367 5652 1 13 . 1 1 60 60 ALA CB C 60 20.539 20.539 20.942 -0.404 19367 5653 1 13 . 1 1 60 60 ALA H H 60 7.630 7.630 7.506 0.124 19367 5654 1 13 . 1 1 61 61 LEU N N 61 124.902 124.902 121.020 3.882 19367 5655 1 13 . 1 1 61 61 LEU HA H 61 4.094 4.094 4.068 0.026 19367 5656 1 13 . 1 1 61 61 LEU CA C 61 58.442 58.442 57.337 1.105 19367 5657 1 13 . 1 1 61 61 LEU CB C 61 42.290 42.290 42.167 0.123 19367 5658 1 13 . 1 1 61 61 LEU H H 61 7.598 7.598 8.096 -0.498 19367 5659 1 13 . 1 1 62 62 ASP N N 62 117.094 117.094 117.914 -0.820 19367 5660 1 13 . 1 1 62 62 ASP HA H 62 4.345 4.345 4.507 -0.162 19367 5661 1 13 . 1 1 62 62 ASP CA C 62 56.690 56.690 55.654 1.036 19367 5662 1 13 . 1 1 62 62 ASP CB C 62 39.812 39.812 40.067 -0.255 19367 5663 1 13 . 1 1 62 62 ASP H H 62 8.686 8.686 8.775 -0.089 19367 5664 1 13 . 1 1 63 63 SER N N 63 112.854 112.854 114.723 -1.869 19367 5665 1 13 . 1 1 63 63 SER HA H 63 4.554 4.554 4.529 0.025 19367 5666 1 13 . 1 1 63 63 SER CA C 63 58.052 58.052 57.436 0.616 19367 5667 1 13 . 1 1 63 63 SER CB C 63 64.719 64.719 64.554 0.165 19367 5668 1 13 . 1 1 63 63 SER H H 63 7.969 7.969 7.434 0.535 19367 5669 1 13 . 1 1 64 64 PHE N N 64 125.623 125.623 123.238 2.385 19367 5670 1 13 . 1 1 64 64 PHE HA H 64 4.238 4.238 3.968 0.270 19367 5671 1 13 . 1 1 64 64 PHE CA C 64 56.826 56.826 58.545 -1.719 19367 5672 1 13 . 1 1 64 64 PHE CB C 64 38.210 38.210 39.424 -1.214 19367 5673 1 13 . 1 1 64 64 PHE H H 64 7.383 7.383 7.340 0.043 19367 5674 1 13 . 1 1 65 65 ARG N N 65 133.273 133.273 123.843 9.430 19367 5675 1 13 . 1 1 65 65 ARG HA H 65 3.861 3.861 4.132 -0.271 19367 5676 1 13 . 1 1 65 65 ARG CA C 65 57.826 57.826 55.768 2.058 19367 5677 1 13 . 1 1 65 65 ARG CB C 65 31.054 31.054 30.535 0.519 19367 5678 1 13 . 1 1 65 65 ARG H H 65 10.968 10.968 8.030 2.938 19367 5679 1 13 . 1 1 66 66 GLY N N 66 103.283 103.283 106.876 -3.593 19367 5680 1 13 . 1 1 66 66 GLY CA C 66 46.309 46.309 44.624 1.685 19367 5681 1 13 . 1 1 66 66 GLY H H 66 5.673 5.673 6.365 -0.692 19367 5682 1 13 . 1 1 67 67 ASP N N 67 120.001 120.001 119.174 0.827 19367 5683 1 13 . 1 1 67 67 ASP HA H 67 4.551 4.551 4.564 -0.013 19367 5684 1 13 . 1 1 67 67 ASP CA C 67 55.488 55.488 55.134 0.354 19367 5685 1 13 . 1 1 67 67 ASP CB C 67 40.655 40.655 41.054 -0.399 19367 5686 1 13 . 1 1 67 67 ASP H H 67 7.960 7.960 8.125 -0.165 19367 5687 1 13 . 1 1 68 68 SER N N 68 110.787 110.787 112.096 -1.309 19367 5688 1 13 . 1 1 68 68 SER HA H 68 4.633 4.633 4.647 -0.014 19367 5689 1 13 . 1 1 68 68 SER CA C 68 56.762 56.762 57.547 -0.785 19367 5690 1 13 . 1 1 68 68 SER CB C 68 67.439 67.439 65.048 2.391 19367 5691 1 13 . 1 1 68 68 SER H H 68 7.692 7.692 7.389 0.303 19367 5692 1 13 . 1 1 69 69 ALA N N 69 122.464 122.464 124.176 -1.712 19367 5693 1 13 . 1 1 69 69 ALA HA H 69 4.692 4.692 4.410 0.282 19367 5694 1 13 . 1 1 69 69 ALA CA C 69 52.674 52.674 52.756 -0.082 19367 5695 1 13 . 1 1 69 69 ALA CB C 69 18.751 18.751 19.549 -0.798 19367 5696 1 13 . 1 1 69 69 ALA H H 69 9.726 9.726 8.693 1.033 19367 5697 1 13 . 1 1 70 70 PHE N N 70 127.188 127.188 122.403 4.785 19367 5698 1 13 . 1 1 70 70 PHE HA H 70 4.085 4.085 4.183 -0.098 19367 5699 1 13 . 1 1 70 70 PHE CA C 70 62.108 62.108 61.289 0.819 19367 5700 1 13 . 1 1 70 70 PHE CB C 70 39.054 39.054 39.733 -0.679 19367 5701 1 13 . 1 1 70 70 PHE H H 70 9.774 9.774 8.820 0.954 19367 5702 1 13 . 1 1 71 71 TYR N N 71 117.533 117.533 118.291 -0.758 19367 5703 1 13 . 1 1 71 71 TYR HA H 71 3.449 3.449 3.887 -0.438 19367 5704 1 13 . 1 1 71 71 TYR CA C 71 61.684 61.684 60.524 1.160 19367 5705 1 13 . 1 1 71 71 TYR CB C 71 37.072 37.072 37.923 -0.851 19367 5706 1 13 . 1 1 71 71 TYR H H 71 9.720 9.720 8.805 0.915 19367 5707 1 13 . 1 1 72 72 THR N N 72 114.574 114.574 116.289 -1.715 19367 5708 1 13 . 1 1 72 72 THR HA H 72 5.436 5.436 3.891 1.545 19367 5709 1 13 . 1 1 72 72 THR CA C 72 63.426 63.426 66.630 -3.204 19367 5710 1 13 . 1 1 72 72 THR CB C 72 68.762 68.762 68.317 0.445 19367 5711 1 13 . 1 1 72 72 THR H H 72 6.675 6.675 7.873 -1.198 19367 5712 1 13 . 1 1 73 73 TRP N N 73 123.561 123.561 123.448 0.113 19367 5713 1 13 . 1 1 73 73 TRP HA H 73 3.956 3.956 4.534 -0.578 19367 5714 1 13 . 1 1 73 73 TRP CA C 73 62.112 62.112 60.186 1.926 19367 5715 1 13 . 1 1 73 73 TRP CB C 73 28.971 28.971 29.426 -0.455 19367 5716 1 13 . 1 1 73 73 TRP H H 73 6.924 6.924 7.301 -0.377 19367 5717 1 13 . 1 1 74 74 LEU N N 74 118.760 118.760 121.771 -3.011 19367 5718 1 13 . 1 1 74 74 LEU HA H 74 2.960 2.960 3.385 -0.425 19367 5719 1 13 . 1 1 74 74 LEU CA C 74 57.105 57.105 56.977 0.128 19367 5720 1 13 . 1 1 74 74 LEU CB C 74 41.503 41.503 41.431 0.072 19367 5721 1 13 . 1 1 74 74 LEU H H 74 7.903 7.903 7.700 0.203 19367 5722 1 13 . 1 1 75 75 TYR N N 75 119.616 119.616 118.738 0.878 19367 5723 1 13 . 1 1 75 75 TYR HA H 75 2.928 2.928 3.754 -0.826 19367 5724 1 13 . 1 1 75 75 TYR CA C 75 60.187 60.187 61.144 -0.957 19367 5725 1 13 . 1 1 75 75 TYR CB C 75 37.987 37.987 37.864 0.123 19367 5726 1 13 . 1 1 75 75 TYR H H 75 8.717 8.717 8.217 0.500 19367 5727 1 13 . 1 1 76 76 ARG N N 76 116.789 116.789 119.317 -2.528 19367 5728 1 13 . 1 1 76 76 ARG HA H 76 3.634 3.634 4.031 -0.397 19367 5729 1 13 . 1 1 76 76 ARG CA C 76 56.003 56.003 58.351 -2.348 19367 5730 1 13 . 1 1 76 76 ARG CB C 76 27.476 27.476 29.272 -1.796 19367 5731 1 13 . 1 1 76 76 ARG H H 76 6.809 6.809 7.499 -0.690 19367 5732 1 13 . 1 1 77 77 ILE N N 77 117.721 117.721 119.055 -1.334 19367 5733 1 13 . 1 1 77 77 ILE HA H 77 2.853 2.853 3.596 -0.743 19367 5734 1 13 . 1 1 77 77 ILE CA C 77 65.599 65.599 64.275 1.324 19367 5735 1 13 . 1 1 77 77 ILE CB C 77 36.937 36.937 37.483 -0.545 19367 5736 1 13 . 1 1 77 77 ILE H H 77 7.316 7.316 7.130 0.186 19367 5737 1 13 . 1 1 78 78 ALA N N 78 125.528 125.528 123.085 2.443 19367 5738 1 13 . 1 1 78 78 ALA HA H 78 3.369 3.369 3.869 -0.500 19367 5739 1 13 . 1 1 78 78 ALA CA C 78 55.876 55.876 54.926 0.950 19367 5740 1 13 . 1 1 78 78 ALA CB C 78 17.833 17.833 18.210 -0.377 19367 5741 1 13 . 1 1 78 78 ALA H H 78 8.788 8.788 8.032 0.756 19367 5742 1 13 . 1 1 79 79 VAL N N 79 117.392 117.392 117.888 -0.496 19367 5743 1 13 . 1 1 79 79 VAL HA H 79 2.819 2.819 3.583 -0.764 19367 5744 1 13 . 1 1 79 79 VAL CA C 79 67.174 67.174 64.567 2.607 19367 5745 1 13 . 1 1 79 79 VAL CB C 79 31.642 31.642 31.396 0.246 19367 5746 1 13 . 1 1 79 79 VAL H H 79 8.046 8.046 7.946 0.100 19367 5747 1 13 . 1 1 80 80 ASN N N 80 117.152 117.152 117.847 -0.695 19367 5748 1 13 . 1 1 80 80 ASN HA H 80 4.368 4.368 4.511 -0.143 19367 5749 1 13 . 1 1 80 80 ASN CA C 80 55.630 55.630 55.647 -0.017 19367 5750 1 13 . 1 1 80 80 ASN CB C 80 36.752 36.752 38.410 -1.658 19367 5751 1 13 . 1 1 80 80 ASN H H 80 8.146 8.146 7.500 0.646 19367 5752 1 13 . 1 1 81 81 THR N N 81 119.140 119.140 117.550 1.590 19367 5753 1 13 . 1 1 81 81 THR HA H 81 3.795 3.795 4.070 -0.275 19367 5754 1 13 . 1 1 81 81 THR CA C 81 67.441 67.441 66.541 0.900 19367 5755 1 13 . 1 1 81 81 THR CB C 81 68.102 68.102 68.684 -0.582 19367 5756 1 13 . 1 1 81 81 THR H H 81 8.320 8.320 8.083 0.237 19367 5757 1 13 . 1 1 82 82 ALA N N 82 124.957 124.957 123.166 1.791 19367 5758 1 13 . 1 1 82 82 ALA HA H 82 3.789 3.789 4.049 -0.260 19367 5759 1 13 . 1 1 82 82 ALA CA C 82 55.415 55.415 54.853 0.562 19367 5760 1 13 . 1 1 82 82 ALA CB C 82 18.020 18.020 18.191 -0.171 19367 5761 1 13 . 1 1 82 82 ALA H H 82 8.037 8.037 7.814 0.223 19367 5762 1 13 . 1 1 83 83 LYS N N 83 116.190 116.190 117.317 -1.127 19367 5763 1 13 . 1 1 83 83 LYS HA H 83 3.815 3.815 4.031 -0.216 19367 5764 1 13 . 1 1 83 83 LYS CA C 83 60.160 60.160 58.767 1.393 19367 5765 1 13 . 1 1 83 83 LYS CB C 83 32.312 32.312 32.463 -0.151 19367 5766 1 13 . 1 1 83 83 LYS H H 83 8.314 8.314 7.571 0.743 19367 5767 1 13 . 1 1 84 84 ASN N N 84 117.083 117.083 117.944 -0.861 19367 5768 1 13 . 1 1 84 84 ASN HA H 84 4.486 4.486 4.488 -0.002 19367 5769 1 13 . 1 1 84 84 ASN CA C 84 55.213 55.213 55.000 0.213 19367 5770 1 13 . 1 1 84 84 ASN CB C 84 38.461 38.461 38.431 0.030 19367 5771 1 13 . 1 1 84 84 ASN H H 84 8.004 8.004 7.882 0.122 19367 5772 1 13 . 1 1 85 85 TYR N N 85 122.935 122.935 121.055 1.880 19367 5773 1 13 . 1 1 85 85 TYR HA H 85 4.147 4.147 4.269 -0.122 19367 5774 1 13 . 1 1 85 85 TYR CA C 85 61.408 61.408 61.247 0.161 19367 5775 1 13 . 1 1 85 85 TYR CB C 85 38.428 38.428 38.628 -0.200 19367 5776 1 13 . 1 1 85 85 TYR H H 85 7.935 7.935 7.599 0.336 19367 5777 1 13 . 1 1 86 86 LEU N N 86 119.119 119.119 117.381 1.738 19367 5778 1 13 . 1 1 86 86 LEU HA H 86 3.998 3.998 3.870 0.128 19367 5779 1 13 . 1 1 86 86 LEU CA C 86 57.647 57.647 57.196 0.451 19367 5780 1 13 . 1 1 86 86 LEU CB C 86 41.906 41.906 41.983 -0.077 19367 5781 1 13 . 1 1 86 86 LEU H H 86 7.810 7.810 7.560 0.250 19367 5782 1 13 . 1 1 87 87 VAL N N 87 118.991 118.991 113.199 5.792 19367 5783 1 13 . 1 1 87 87 VAL HA H 87 3.806 3.806 4.030 -0.224 19367 5784 1 13 . 1 1 87 87 VAL CA C 87 64.989 64.989 63.589 1.400 19367 5785 1 13 . 1 1 87 87 VAL CB C 87 32.126 32.126 30.886 1.240 19367 5786 1 13 . 1 1 87 87 VAL H H 87 7.701 7.701 7.169 0.532 19367 5787 1 13 . 1 1 88 88 ALA N N 88 123.643 123.643 122.589 1.054 19367 5788 1 13 . 1 1 88 88 ALA HA H 88 4.088 4.088 4.144 -0.056 19367 5789 1 13 . 1 1 88 88 ALA CA C 88 54.188 54.188 54.352 -0.164 19367 5790 1 13 . 1 1 88 88 ALA CB C 88 18.460 18.460 18.558 -0.098 19367 5791 1 13 . 1 1 88 88 ALA H H 88 7.978 7.978 7.472 0.506 19367 5792 1 13 . 1 1 89 89 GLN N N 89 116.659 116.659 115.656 1.003 19367 5793 1 13 . 1 1 89 89 GLN HA H 89 4.024 4.024 4.346 -0.322 19367 5794 1 13 . 1 1 89 89 GLN CA C 89 56.818 56.818 56.084 0.734 19367 5795 1 13 . 1 1 89 89 GLN CB C 89 28.776 28.776 29.878 -1.102 19367 5796 1 13 . 1 1 89 89 GLN H H 89 7.974 7.974 7.625 0.349 19367 5797 1 13 . 1 1 90 90 GLY N N 90 107.464 107.464 108.356 -0.892 19367 5798 1 13 . 1 1 90 90 GLY CA C 90 45.782 45.782 45.079 0.703 19367 5799 1 13 . 1 1 90 90 GLY H H 90 7.967 7.967 8.137 -0.170 19367 5800 1 13 . 1 1 91 91 ARG N N 91 119.736 119.736 116.310 3.426 19367 5801 1 13 . 1 1 91 91 ARG HA H 91 4.299 4.299 4.551 -0.252 19367 5802 1 13 . 1 1 91 91 ARG CA C 91 56.216 56.216 54.513 1.703 19367 5803 1 13 . 1 1 91 91 ARG CB C 91 30.805 30.805 31.480 -0.675 19367 5804 1 13 . 1 1 91 91 ARG H H 91 7.824 7.824 7.499 0.325 19367 5805 1 13 . 1 1 92 92 ARG N N 92 120.592 120.592 118.888 1.704 19367 5806 1 13 . 1 1 92 92 ARG HA H 92 4.270 4.270 4.080 0.190 19367 5807 1 13 . 1 1 92 92 ARG CA C 92 56.451 56.451 57.951 -1.500 19367 5808 1 13 . 1 1 92 92 ARG CB C 92 30.658 30.658 29.406 1.252 19367 5809 1 13 . 1 1 92 92 ARG H H 92 8.038 8.038 8.701 -0.663 19367 5810 1 13 . 1 1 93 93 LEU N N 93 122.274 122.274 116.281 5.993 19367 5811 1 13 . 1 1 93 93 LEU HA H 93 4.258 4.258 4.505 -0.247 19367 5812 1 13 . 1 1 93 93 LEU CA C 93 55.463 55.463 56.271 -0.808 19367 5813 1 13 . 1 1 93 93 LEU CB C 93 42.203 42.203 42.776 -0.574 19367 5814 1 13 . 1 1 93 93 LEU H H 93 8.147 8.147 7.895 0.252 19367 5815 1 13 . 1 1 94 94 GLU N N 94 120.794 120.794 119.535 1.259 19367 5816 1 13 . 1 1 94 94 GLU HA H 94 4.249 4.249 4.308 -0.059 19367 5817 1 13 . 1 1 94 94 GLU CA C 94 56.557 56.557 56.707 -0.150 19367 5818 1 13 . 1 1 94 94 GLU CB C 94 30.103 30.103 29.674 0.429 19367 5819 1 13 . 1 1 94 94 GLU H H 94 8.241 8.241 8.059 0.182 19367 5820 1 13 . 1 1 95 95 LEU N N 95 122.290 122.290 118.917 3.373 19367 5821 1 13 . 1 1 95 95 LEU HA H 95 4.312 4.312 4.645 -0.333 19367 5822 1 13 . 1 1 95 95 LEU CA C 95 55.080 55.080 55.097 -0.017 19367 5823 1 13 . 1 1 95 95 LEU CB C 95 42.130 42.130 43.919 -1.789 19367 5824 1 13 . 1 1 95 95 LEU H H 95 8.068 8.068 7.783 0.285 19367 5825 1 14 . 1 1 4 4 GLN N N 4 121.848 121.848 119.308 2.540 19367 5826 1 14 . 1 1 4 4 GLN HA H 4 4.307 4.307 4.628 -0.321 19367 5827 1 14 . 1 1 4 4 GLN CA C 4 55.724 55.724 54.586 1.138 19367 5828 1 14 . 1 1 4 4 GLN CB C 4 29.297 29.297 30.526 -1.229 19367 5829 1 14 . 1 1 4 4 GLN H H 4 8.500 8.500 8.237 0.263 19367 5830 1 14 . 1 1 5 5 LEU N N 5 124.347 124.347 124.540 -0.193 19367 5831 1 14 . 1 1 5 5 LEU HA H 5 4.548 4.548 4.457 0.091 19367 5832 1 14 . 1 1 5 5 LEU CA C 5 53.785 53.785 54.538 -0.753 19367 5833 1 14 . 1 1 5 5 LEU CB C 5 41.886 41.886 40.024 1.862 19367 5834 1 14 . 1 1 5 5 LEU H H 5 8.565 8.565 8.723 -0.158 19367 5835 1 14 . 1 1 6 6 THR N N 6 114.442 114.442 114.539 -0.097 19367 5836 1 14 . 1 1 6 6 THR HA H 6 4.353 4.353 4.341 0.012 19367 5837 1 14 . 1 1 6 6 THR CA C 6 61.195 61.195 61.528 -0.333 19367 5838 1 14 . 1 1 6 6 THR CB C 6 70.541 70.541 70.545 -0.004 19367 5839 1 14 . 1 1 6 6 THR H H 6 7.950 7.950 7.981 -0.031 19367 5840 1 14 . 1 1 7 7 ASP N N 7 120.959 120.959 119.410 1.549 19367 5841 1 14 . 1 1 7 7 ASP HA H 7 4.197 4.197 4.284 -0.087 19367 5842 1 14 . 1 1 7 7 ASP CA C 7 57.820 57.820 57.350 0.470 19367 5843 1 14 . 1 1 7 7 ASP CB C 7 39.621 39.621 40.343 -0.722 19367 5844 1 14 . 1 1 7 7 ASP H H 7 9.008 9.008 9.099 -0.091 19367 5845 1 14 . 1 1 8 8 GLN N N 8 116.649 116.649 119.771 -3.122 19367 5846 1 14 . 1 1 8 8 GLN HA H 8 4.012 4.012 4.203 -0.191 19367 5847 1 14 . 1 1 8 8 GLN CA C 8 59.746 59.746 58.716 1.030 19367 5848 1 14 . 1 1 8 8 GLN CB C 8 28.188 28.188 28.841 -0.653 19367 5849 1 14 . 1 1 8 8 GLN H H 8 8.561 8.561 7.610 0.951 19367 5850 1 14 . 1 1 9 9 VAL N N 9 120.579 120.579 120.348 0.231 19367 5851 1 14 . 1 1 9 9 VAL HA H 9 3.760 3.760 4.182 -0.422 19367 5852 1 14 . 1 1 9 9 VAL CA C 9 66.108 66.108 63.920 2.188 19367 5853 1 14 . 1 1 9 9 VAL CB C 9 31.558 31.558 31.994 -0.436 19367 5854 1 14 . 1 1 9 9 VAL H H 9 7.450 7.450 7.451 -0.001 19367 5855 1 14 . 1 1 10 10 LEU N N 10 119.806 119.806 120.960 -1.154 19367 5856 1 14 . 1 1 10 10 LEU HA H 10 3.917 3.917 4.183 -0.266 19367 5857 1 14 . 1 1 10 10 LEU CA C 10 58.415 58.415 57.778 0.637 19367 5858 1 14 . 1 1 10 10 LEU CB C 10 41.299 41.299 41.715 -0.416 19367 5859 1 14 . 1 1 10 10 LEU H H 10 7.865 7.865 8.051 -0.186 19367 5860 1 14 . 1 1 11 11 VAL N N 11 119.041 119.041 118.793 0.248 19367 5861 1 14 . 1 1 11 11 VAL HA H 11 3.280 3.280 3.456 -0.176 19367 5862 1 14 . 1 1 11 11 VAL CA C 11 67.631 67.631 66.701 0.930 19367 5863 1 14 . 1 1 11 11 VAL CB C 11 31.723 31.723 31.475 0.248 19367 5864 1 14 . 1 1 11 11 VAL H H 11 8.734 8.734 7.545 1.189 19367 5865 1 14 . 1 1 12 12 GLU N N 12 119.018 119.018 119.591 -0.573 19367 5866 1 14 . 1 1 12 12 GLU HA H 12 4.110 4.110 4.021 0.089 19367 5867 1 14 . 1 1 12 12 GLU CA C 12 59.514 59.514 59.038 0.476 19367 5868 1 14 . 1 1 12 12 GLU CB C 12 28.603 28.603 29.263 -0.660 19367 5869 1 14 . 1 1 12 12 GLU H H 12 7.802 7.802 7.551 0.251 19367 5870 1 14 . 1 1 13 13 ARG N N 13 117.242 117.242 119.737 -2.495 19367 5871 1 14 . 1 1 13 13 ARG HA H 13 4.011 4.011 4.125 -0.114 19367 5872 1 14 . 1 1 13 13 ARG CA C 13 60.016 60.016 59.095 0.921 19367 5873 1 14 . 1 1 13 13 ARG CB C 13 27.737 27.737 30.200 -2.462 19367 5874 1 14 . 1 1 13 13 ARG H H 13 8.107 8.107 7.711 0.396 19367 5875 1 14 . 1 1 14 14 VAL N N 14 121.430 121.430 119.430 2.000 19367 5876 1 14 . 1 1 14 14 VAL HA H 14 3.767 3.767 4.129 -0.362 19367 5877 1 14 . 1 1 14 14 VAL CA C 14 66.462 66.462 65.652 0.810 19367 5878 1 14 . 1 1 14 14 VAL CB C 14 31.616 31.616 31.944 -0.328 19367 5879 1 14 . 1 1 14 14 VAL H H 14 8.435 8.435 7.499 0.936 19367 5880 1 14 . 1 1 15 15 GLN N N 15 120.667 120.667 119.049 1.618 19367 5881 1 14 . 1 1 15 15 GLN HA H 15 4.088 4.088 4.104 -0.016 19367 5882 1 14 . 1 1 15 15 GLN CA C 15 58.628 58.628 58.181 0.447 19367 5883 1 14 . 1 1 15 15 GLN CB C 15 27.995 27.995 28.441 -0.446 19367 5884 1 14 . 1 1 15 15 GLN H H 15 8.670 8.670 7.805 0.865 19367 5885 1 14 . 1 1 16 16 LYS N N 16 116.797 116.797 117.876 -1.079 19367 5886 1 14 . 1 1 16 16 LYS HA H 16 4.374 4.374 4.305 0.069 19367 5887 1 14 . 1 1 16 16 LYS CA C 16 56.278 56.278 56.231 0.047 19367 5888 1 14 . 1 1 16 16 LYS CB C 16 32.299 32.299 32.497 -0.198 19367 5889 1 14 . 1 1 16 16 LYS H H 16 7.700 7.700 7.654 0.046 19367 5890 1 14 . 1 1 17 17 GLY N N 17 107.001 107.001 108.034 -1.033 19367 5891 1 14 . 1 1 17 17 GLY CA C 17 45.608 45.608 44.953 0.655 19367 5892 1 14 . 1 1 17 17 GLY H H 17 7.927 7.927 7.782 0.145 19367 5893 1 14 . 1 1 18 18 ASP N N 18 121.666 121.666 121.740 -0.074 19367 5894 1 14 . 1 1 18 18 ASP HA H 18 4.769 4.769 4.703 0.066 19367 5895 1 14 . 1 1 18 18 ASP CA C 18 52.999 52.999 53.935 -0.936 19367 5896 1 14 . 1 1 18 18 ASP CB C 18 40.814 40.814 41.404 -0.590 19367 5897 1 14 . 1 1 18 18 ASP H H 18 8.255 8.255 7.601 0.654 19367 5898 1 14 . 1 1 19 19 GLN N N 19 124.874 124.874 125.763 -0.889 19367 5899 1 14 . 1 1 19 19 GLN HA H 19 4.150 4.150 4.350 -0.200 19367 5900 1 14 . 1 1 19 19 GLN CA C 19 58.922 58.922 58.173 0.749 19367 5901 1 14 . 1 1 19 19 GLN CB C 19 28.759 28.759 29.047 -0.287 19367 5902 1 14 . 1 1 19 19 GLN H H 19 8.392 8.392 8.712 -0.320 19367 5903 1 14 . 1 1 20 20 LYS N N 20 119.006 119.006 119.019 -0.013 19367 5904 1 14 . 1 1 20 20 LYS HA H 20 4.118 4.118 4.179 -0.061 19367 5905 1 14 . 1 1 20 20 LYS CA C 20 58.642 58.642 58.225 0.416 19367 5906 1 14 . 1 1 20 20 LYS CB C 20 31.678 31.678 32.085 -0.407 19367 5907 1 14 . 1 1 20 20 LYS H H 20 8.348 8.348 8.284 0.064 19367 5908 1 14 . 1 1 21 21 ALA N N 21 121.687 121.687 122.205 -0.518 19367 5909 1 14 . 1 1 21 21 ALA HA H 21 4.010 4.010 4.154 -0.144 19367 5910 1 14 . 1 1 21 21 ALA CA C 21 54.485 54.485 54.924 -0.439 19367 5911 1 14 . 1 1 21 21 ALA CB C 21 18.634 18.634 18.303 0.331 19367 5912 1 14 . 1 1 21 21 ALA H H 21 7.500 7.500 8.157 -0.657 19367 5913 1 14 . 1 1 22 22 PHE N N 22 117.219 117.219 118.263 -1.044 19367 5914 1 14 . 1 1 22 22 PHE HA H 22 3.994 3.994 4.298 -0.304 19367 5915 1 14 . 1 1 22 22 PHE CA C 22 61.907 61.907 60.655 1.252 19367 5916 1 14 . 1 1 22 22 PHE CB C 22 38.571 38.571 39.843 -1.272 19367 5917 1 14 . 1 1 22 22 PHE H H 22 7.810 7.810 7.459 0.351 19367 5918 1 14 . 1 1 23 23 ASN N N 23 115.600 115.600 119.020 -3.420 19367 5919 1 14 . 1 1 23 23 ASN HA H 23 4.163 4.163 4.316 -0.153 19367 5920 1 14 . 1 1 23 23 ASN CA C 23 56.264 56.264 56.509 -0.245 19367 5921 1 14 . 1 1 23 23 ASN CB C 23 38.131 38.131 38.448 -0.317 19367 5922 1 14 . 1 1 23 23 ASN H H 23 7.711 7.711 8.112 -0.401 19367 5923 1 14 . 1 1 24 24 LEU N N 24 117.605 117.605 119.436 -1.831 19367 5924 1 14 . 1 1 24 24 LEU HA H 24 3.999 3.999 4.116 -0.117 19367 5925 1 14 . 1 1 24 24 LEU CA C 24 57.811 57.811 57.280 0.531 19367 5926 1 14 . 1 1 24 24 LEU CB C 24 41.367 41.367 41.594 -0.227 19367 5927 1 14 . 1 1 24 24 LEU H H 24 7.344 7.344 7.664 -0.320 19367 5928 1 14 . 1 1 25 25 LEU N N 25 120.426 120.426 120.378 0.048 19367 5929 1 14 . 1 1 25 25 LEU HA H 25 3.938 3.938 3.966 -0.028 19367 5930 1 14 . 1 1 25 25 LEU CA C 25 57.863 57.863 57.357 0.506 19367 5931 1 14 . 1 1 25 25 LEU CB C 25 41.479 41.479 41.578 -0.099 19367 5932 1 14 . 1 1 25 25 LEU H H 25 7.036 7.036 7.314 -0.278 19367 5933 1 14 . 1 1 26 26 VAL N N 26 119.676 119.676 119.330 0.346 19367 5934 1 14 . 1 1 26 26 VAL HA H 26 2.857 2.857 2.701 0.156 19367 5935 1 14 . 1 1 26 26 VAL CA C 26 65.821 65.821 66.490 -0.669 19367 5936 1 14 . 1 1 26 26 VAL CB C 26 30.816 30.816 31.018 -0.202 19367 5937 1 14 . 1 1 26 26 VAL H H 26 7.369 7.369 7.588 -0.219 19367 5938 1 14 . 1 1 27 27 VAL N N 27 117.098 117.098 117.456 -0.358 19367 5939 1 14 . 1 1 27 27 VAL HA H 27 3.542 3.542 3.615 -0.073 19367 5940 1 14 . 1 1 27 27 VAL CA C 27 65.837 65.837 65.764 0.073 19367 5941 1 14 . 1 1 27 27 VAL CB C 27 31.728 31.728 31.352 0.376 19367 5942 1 14 . 1 1 27 27 VAL H H 27 7.816 7.816 7.613 0.203 19367 5943 1 14 . 1 1 28 28 ARG N N 28 118.592 118.592 119.334 -0.742 19367 5944 1 14 . 1 1 28 28 ARG HA H 28 3.838 3.838 4.009 -0.171 19367 5945 1 14 . 1 1 28 28 ARG CA C 28 59.356 59.356 58.536 0.820 19367 5946 1 14 . 1 1 28 28 ARG CB C 28 31.069 31.069 30.120 0.949 19367 5947 1 14 . 1 1 28 28 ARG H H 28 7.491 7.491 7.379 0.112 19367 5948 1 14 . 1 1 29 29 TYR N N 29 112.635 112.635 115.920 -3.285 19367 5949 1 14 . 1 1 29 29 TYR HA H 29 4.945 4.945 4.828 0.117 19367 5950 1 14 . 1 1 29 29 TYR CA C 29 60.438 60.438 57.727 2.712 19367 5951 1 14 . 1 1 29 29 TYR CB C 29 40.619 40.619 40.042 0.577 19367 5952 1 14 . 1 1 29 29 TYR H H 29 7.675 7.675 7.457 0.218 19367 5953 1 14 . 1 1 30 30 GLN N N 30 123.043 123.043 121.256 1.787 19367 5954 1 14 . 1 1 30 30 GLN HA H 30 4.119 4.119 4.354 -0.235 19367 5955 1 14 . 1 1 30 30 GLN CA C 30 61.409 61.409 59.615 1.794 19367 5956 1 14 . 1 1 30 30 GLN CB C 30 26.933 26.933 28.198 -1.266 19367 5957 1 14 . 1 1 30 30 GLN H H 30 9.056 9.056 8.334 0.722 19367 5958 1 14 . 1 1 31 31 HIS N N 31 118.704 118.704 116.389 2.315 19367 5959 1 14 . 1 1 31 31 HIS HA H 31 4.435 4.435 4.594 -0.159 19367 5960 1 14 . 1 1 31 31 HIS CA C 31 59.580 59.580 57.832 1.748 19367 5961 1 14 . 1 1 31 31 HIS CB C 31 29.396 29.396 29.493 -0.097 19367 5962 1 14 . 1 1 31 31 HIS H H 31 8.616 8.616 8.737 -0.121 19367 5963 1 14 . 1 1 32 32 LYS N N 32 122.594 122.594 121.006 1.588 19367 5964 1 14 . 1 1 32 32 LYS HA H 32 4.029 4.029 4.017 0.012 19367 5965 1 14 . 1 1 32 32 LYS CA C 32 59.869 59.869 59.259 0.610 19367 5966 1 14 . 1 1 32 32 LYS CB C 32 32.580 32.580 32.184 0.396 19367 5967 1 14 . 1 1 32 32 LYS H H 32 7.848 7.848 6.918 0.930 19367 5968 1 14 . 1 1 33 33 VAL N N 33 119.621 119.621 119.535 0.086 19367 5969 1 14 . 1 1 33 33 VAL HA H 33 3.480 3.480 3.711 -0.231 19367 5970 1 14 . 1 1 33 33 VAL CA C 33 66.671 66.671 64.424 2.247 19367 5971 1 14 . 1 1 33 33 VAL CB C 33 31.142 31.142 31.145 -0.003 19367 5972 1 14 . 1 1 33 33 VAL H H 33 8.653 8.653 8.439 0.214 19367 5973 1 14 . 1 1 34 34 ALA N N 34 122.622 122.622 121.846 0.776 19367 5974 1 14 . 1 1 34 34 ALA HA H 34 3.736 3.736 4.031 -0.295 19367 5975 1 14 . 1 1 34 34 ALA CA C 34 55.762 55.762 55.107 0.655 19367 5976 1 14 . 1 1 34 34 ALA CB C 34 17.681 17.681 18.225 -0.544 19367 5977 1 14 . 1 1 34 34 ALA H H 34 8.498 8.498 7.749 0.749 19367 5978 1 14 . 1 1 35 35 SER N N 35 113.674 113.674 114.253 -0.579 19367 5979 1 14 . 1 1 35 35 SER HA H 35 4.040 4.040 4.319 -0.279 19367 5980 1 14 . 1 1 35 35 SER CA C 35 61.765 61.765 61.926 -0.161 19367 5981 1 14 . 1 1 35 35 SER CB C 35 62.766 62.766 63.131 -0.365 19367 5982 1 14 . 1 1 35 35 SER H H 35 7.897 7.897 7.617 0.280 19367 5983 1 14 . 1 1 36 36 LEU N N 36 123.203 123.203 122.786 0.417 19367 5984 1 14 . 1 1 36 36 LEU HA H 36 3.992 3.992 4.238 -0.246 19367 5985 1 14 . 1 1 36 36 LEU CA C 36 57.863 57.863 57.395 0.467 19367 5986 1 14 . 1 1 36 36 LEU CB C 36 42.718 42.718 41.847 0.871 19367 5987 1 14 . 1 1 36 36 LEU H H 36 7.494 7.494 7.224 0.270 19367 5988 1 14 . 1 1 37 37 VAL N N 37 114.122 114.122 115.739 -1.617 19367 5989 1 14 . 1 1 37 37 VAL HA H 37 3.627 3.627 4.110 -0.483 19367 5990 1 14 . 1 1 37 37 VAL CA C 37 65.879 65.879 65.138 0.741 19367 5991 1 14 . 1 1 37 37 VAL CB C 37 31.214 31.214 30.454 0.760 19367 5992 1 14 . 1 1 37 37 VAL H H 37 8.530 8.530 8.283 0.247 19367 5993 1 14 . 1 1 38 38 SER N N 38 116.259 116.259 116.978 -0.719 19367 5994 1 14 . 1 1 38 38 SER HA H 38 4.276 4.276 4.350 -0.074 19367 5995 1 14 . 1 1 38 38 SER CA C 38 60.898 60.898 61.090 -0.192 19367 5996 1 14 . 1 1 38 38 SER CB C 38 63.143 63.143 63.022 0.121 19367 5997 1 14 . 1 1 38 38 SER H H 38 8.136 8.136 7.626 0.510 19367 5998 1 14 . 1 1 39 39 ARG N N 39 119.029 119.029 118.619 0.410 19367 5999 1 14 . 1 1 39 39 ARG HA H 39 3.995 3.995 3.972 0.023 19367 6000 1 14 . 1 1 39 39 ARG CA C 39 57.640 57.640 57.661 -0.021 19367 6001 1 14 . 1 1 39 39 ARG CB C 39 29.719 29.719 30.070 -0.351 19367 6002 1 14 . 1 1 39 39 ARG H H 39 7.310 7.310 7.220 0.090 19367 6003 1 14 . 1 1 40 40 TYR N N 40 114.123 114.123 115.496 -1.373 19367 6004 1 14 . 1 1 40 40 TYR HA H 40 4.472 4.472 4.706 -0.234 19367 6005 1 14 . 1 1 40 40 TYR CA C 40 59.298 59.298 58.111 1.187 19367 6006 1 14 . 1 1 40 40 TYR CB C 40 42.809 42.809 41.281 1.528 19367 6007 1 14 . 1 1 40 40 TYR H H 40 7.786 7.786 7.761 0.025 19367 6008 1 14 . 1 1 41 41 VAL N N 41 112.721 112.721 113.911 -1.190 19367 6009 1 14 . 1 1 41 41 VAL HA H 41 4.853 4.853 4.764 0.089 19367 6010 1 14 . 1 1 41 41 VAL CA C 41 57.942 57.942 58.387 -0.445 19367 6011 1 14 . 1 1 41 41 VAL CB C 41 33.171 33.171 34.203 -1.032 19367 6012 1 14 . 1 1 41 41 VAL H H 41 7.388 7.388 7.842 -0.454 19367 6013 1 14 . 1 1 42 42 PRO HA H 42 4.415 4.415 4.734 -0.319 19367 6014 1 14 . 1 1 42 42 PRO CA C 42 62.645 62.645 62.631 0.014 19367 6015 1 14 . 1 1 42 42 PRO CB C 42 32.603 32.603 32.771 -0.168 19367 6016 1 14 . 1 1 43 43 SER N N 43 116.784 116.784 115.657 1.127 19367 6017 1 14 . 1 1 43 43 SER HA H 43 4.009 4.009 4.186 -0.177 19367 6018 1 14 . 1 1 43 43 SER CA C 43 62.098 62.098 60.184 1.914 19367 6019 1 14 . 1 1 43 43 SER CB C 43 62.862 62.862 62.678 0.184 19367 6020 1 14 . 1 1 43 43 SER H H 43 8.602 8.602 8.462 0.140 19367 6021 1 14 . 1 1 44 44 GLY N N 44 107.756 107.756 108.994 -1.238 19367 6022 1 14 . 1 1 44 44 GLY CA C 44 46.503 46.503 45.679 0.824 19367 6023 1 14 . 1 1 44 44 GLY H H 44 8.812 8.812 8.210 0.602 19367 6024 1 14 . 1 1 45 45 ASP N N 45 117.822 117.822 119.712 -1.890 19367 6025 1 14 . 1 1 45 45 ASP HA H 45 4.875 4.875 4.863 0.012 19367 6026 1 14 . 1 1 45 45 ASP CA C 45 54.770 54.770 53.746 1.024 19367 6027 1 14 . 1 1 45 45 ASP CB C 45 42.593 42.593 42.364 0.229 19367 6028 1 14 . 1 1 45 45 ASP H H 45 7.764 7.764 8.081 -0.317 19367 6029 1 14 . 1 1 46 46 VAL N N 46 119.385 119.385 121.869 -2.484 19367 6030 1 14 . 1 1 46 46 VAL HA H 46 3.233 3.233 3.720 -0.487 19367 6031 1 14 . 1 1 46 46 VAL CA C 46 68.546 68.546 68.526 0.020 19367 6032 1 14 . 1 1 46 46 VAL CB C 46 29.851 29.851 29.338 0.513 19367 6033 1 14 . 1 1 46 46 VAL H H 46 7.148 7.148 7.496 -0.348 19367 6034 1 14 . 1 1 47 47 PRO HA H 47 4.113 4.113 4.245 -0.132 19367 6035 1 14 . 1 1 47 47 PRO CA C 47 66.527 66.527 65.981 0.546 19367 6036 1 14 . 1 1 47 47 PRO CB C 47 28.496 28.496 31.168 -2.672 19367 6037 1 14 . 1 1 48 48 ASP N N 48 116.654 116.654 119.318 -2.664 19367 6038 1 14 . 1 1 48 48 ASP HA H 48 4.384 4.384 4.538 -0.154 19367 6039 1 14 . 1 1 48 48 ASP CA C 48 57.268 57.268 57.185 0.083 19367 6040 1 14 . 1 1 48 48 ASP CB C 48 40.657 40.657 40.806 -0.149 19367 6041 1 14 . 1 1 48 48 ASP H H 48 7.473 7.473 7.592 -0.119 19367 6042 1 14 . 1 1 49 49 VAL N N 49 121.848 121.848 120.471 1.377 19367 6043 1 14 . 1 1 49 49 VAL HA H 49 3.364 3.364 3.675 -0.311 19367 6044 1 14 . 1 1 49 49 VAL CA C 49 66.354 66.354 65.536 0.818 19367 6045 1 14 . 1 1 49 49 VAL CB C 49 30.961 30.961 31.559 -0.598 19367 6046 1 14 . 1 1 49 49 VAL H H 49 7.600 7.600 7.831 -0.231 19367 6047 1 14 . 1 1 50 50 VAL N N 50 119.961 119.961 120.119 -0.158 19367 6048 1 14 . 1 1 50 50 VAL HA H 50 3.176 3.176 3.514 -0.338 19367 6049 1 14 . 1 1 50 50 VAL CA C 50 67.270 67.270 66.509 0.761 19367 6050 1 14 . 1 1 50 50 VAL CB C 50 31.662 31.662 31.550 0.112 19367 6051 1 14 . 1 1 50 50 VAL H H 50 8.567 8.567 8.379 0.188 19367 6052 1 14 . 1 1 51 51 GLN N N 51 116.203 116.203 119.016 -2.813 19367 6053 1 14 . 1 1 51 51 GLN HA H 51 4.204 4.204 4.170 0.034 19367 6054 1 14 . 1 1 51 51 GLN CA C 51 59.334 59.334 59.034 0.300 19367 6055 1 14 . 1 1 51 51 GLN CB C 51 28.717 28.717 28.607 0.110 19367 6056 1 14 . 1 1 51 51 GLN H H 51 7.802 7.802 7.589 0.213 19367 6057 1 14 . 1 1 52 52 GLU N N 52 119.616 119.616 120.111 -0.495 19367 6058 1 14 . 1 1 52 52 GLU HA H 52 4.085 4.085 4.213 -0.128 19367 6059 1 14 . 1 1 52 52 GLU CA C 52 59.267 59.267 58.096 1.171 19367 6060 1 14 . 1 1 52 52 GLU CB C 52 29.178 29.178 29.309 -0.131 19367 6061 1 14 . 1 1 52 52 GLU H H 52 7.880 7.880 7.772 0.108 19367 6062 1 14 . 1 1 53 53 ALA N N 53 120.964 120.964 122.471 -1.507 19367 6063 1 14 . 1 1 53 53 ALA HA H 53 3.713 3.713 4.068 -0.355 19367 6064 1 14 . 1 1 53 53 ALA CA C 53 55.176 55.176 54.549 0.627 19367 6065 1 14 . 1 1 53 53 ALA CB C 53 16.573 16.573 18.100 -1.527 19367 6066 1 14 . 1 1 53 53 ALA H H 53 8.381 8.381 7.425 0.956 19367 6067 1 14 . 1 1 54 54 PHE N N 54 113.370 113.370 116.736 -3.366 19367 6068 1 14 . 1 1 54 54 PHE HA H 54 4.329 4.329 4.587 -0.258 19367 6069 1 14 . 1 1 54 54 PHE CA C 54 63.496 63.496 60.848 2.648 19367 6070 1 14 . 1 1 54 54 PHE CB C 54 39.097 39.097 39.238 -0.141 19367 6071 1 14 . 1 1 54 54 PHE H H 54 7.942 7.942 7.696 0.246 19367 6072 1 14 . 1 1 55 55 ILE N N 55 121.983 121.983 120.450 1.533 19367 6073 1 14 . 1 1 55 55 ILE HA H 55 3.946 3.946 3.927 0.019 19367 6074 1 14 . 1 1 55 55 ILE CA C 55 64.969 64.969 63.431 1.538 19367 6075 1 14 . 1 1 55 55 ILE CB C 55 37.589 37.589 37.684 -0.095 19367 6076 1 14 . 1 1 55 55 ILE H H 55 8.373 8.373 7.789 0.584 19367 6077 1 14 . 1 1 56 56 LYS N N 56 120.661 120.661 120.930 -0.269 19367 6078 1 14 . 1 1 56 56 LYS HA H 56 3.860 3.860 4.128 -0.268 19367 6079 1 14 . 1 1 56 56 LYS CA C 56 59.835 59.835 58.356 1.478 19367 6080 1 14 . 1 1 56 56 LYS CB C 56 31.904 31.904 31.909 -0.005 19367 6081 1 14 . 1 1 56 56 LYS H H 56 8.318 8.318 8.368 -0.050 19367 6082 1 14 . 1 1 57 57 ALA N N 57 119.884 119.884 121.874 -1.990 19367 6083 1 14 . 1 1 57 57 ALA HA H 57 3.784 3.784 4.238 -0.454 19367 6084 1 14 . 1 1 57 57 ALA CA C 57 54.552 54.552 54.688 -0.136 19367 6085 1 14 . 1 1 57 57 ALA CB C 57 18.251 18.251 18.496 -0.245 19367 6086 1 14 . 1 1 57 57 ALA H H 57 7.937 7.937 7.510 0.427 19367 6087 1 14 . 1 1 58 58 TYR N N 58 116.541 116.541 119.801 -3.260 19367 6088 1 14 . 1 1 58 58 TYR HA H 58 3.549 3.549 3.766 -0.217 19367 6089 1 14 . 1 1 58 58 TYR CA C 58 61.528 61.528 61.236 0.292 19367 6090 1 14 . 1 1 58 58 TYR CB C 58 37.885 37.885 38.500 -0.615 19367 6091 1 14 . 1 1 58 58 TYR H H 58 8.404 8.404 8.217 0.187 19367 6092 1 14 . 1 1 59 59 ARG N N 59 116.321 116.321 116.717 -0.396 19367 6093 1 14 . 1 1 59 59 ARG HA H 59 3.791 3.791 4.195 -0.404 19367 6094 1 14 . 1 1 59 59 ARG CA C 59 58.500 58.500 57.102 1.398 19367 6095 1 14 . 1 1 59 59 ARG CB C 59 30.268 30.268 30.295 -0.027 19367 6096 1 14 . 1 1 59 59 ARG H H 59 8.404 8.404 7.798 0.606 19367 6097 1 14 . 1 1 60 60 ALA N N 60 118.867 118.867 120.618 -1.751 19367 6098 1 14 . 1 1 60 60 ALA HA H 60 4.879 4.879 4.549 0.330 19367 6099 1 14 . 1 1 60 60 ALA CA C 60 51.372 51.372 52.084 -0.712 19367 6100 1 14 . 1 1 60 60 ALA CB C 60 20.539 20.539 19.802 0.737 19367 6101 1 14 . 1 1 60 60 ALA H H 60 7.630 7.630 7.481 0.149 19367 6102 1 14 . 1 1 61 61 LEU N N 61 124.902 124.902 120.853 4.049 19367 6103 1 14 . 1 1 61 61 LEU HA H 61 4.094 4.094 4.135 -0.041 19367 6104 1 14 . 1 1 61 61 LEU CA C 61 58.442 58.442 57.330 1.112 19367 6105 1 14 . 1 1 61 61 LEU CB C 61 42.290 42.290 42.132 0.158 19367 6106 1 14 . 1 1 61 61 LEU H H 61 7.598 7.598 8.145 -0.547 19367 6107 1 14 . 1 1 62 62 ASP N N 62 117.094 117.094 118.688 -1.594 19367 6108 1 14 . 1 1 62 62 ASP HA H 62 4.345 4.345 4.517 -0.172 19367 6109 1 14 . 1 1 62 62 ASP CA C 62 56.690 56.690 55.845 0.845 19367 6110 1 14 . 1 1 62 62 ASP CB C 62 39.812 39.812 40.611 -0.799 19367 6111 1 14 . 1 1 62 62 ASP H H 62 8.686 8.686 8.816 -0.130 19367 6112 1 14 . 1 1 63 63 SER N N 63 112.854 112.854 115.016 -2.162 19367 6113 1 14 . 1 1 63 63 SER HA H 63 4.554 4.554 4.534 0.020 19367 6114 1 14 . 1 1 63 63 SER CA C 63 58.052 58.052 57.233 0.819 19367 6115 1 14 . 1 1 63 63 SER CB C 63 64.719 64.719 64.403 0.317 19367 6116 1 14 . 1 1 63 63 SER H H 63 7.969 7.969 7.456 0.513 19367 6117 1 14 . 1 1 64 64 PHE N N 64 125.623 125.623 123.943 1.680 19367 6118 1 14 . 1 1 64 64 PHE HA H 64 4.238 4.238 4.005 0.233 19367 6119 1 14 . 1 1 64 64 PHE CA C 64 56.826 56.826 58.548 -1.722 19367 6120 1 14 . 1 1 64 64 PHE CB C 64 38.210 38.210 39.456 -1.246 19367 6121 1 14 . 1 1 64 64 PHE H H 64 7.383 7.383 7.340 0.043 19367 6122 1 14 . 1 1 65 65 ARG N N 65 133.273 133.273 124.492 8.781 19367 6123 1 14 . 1 1 65 65 ARG HA H 65 3.861 3.861 4.124 -0.263 19367 6124 1 14 . 1 1 65 65 ARG CA C 65 57.826 57.826 55.638 2.188 19367 6125 1 14 . 1 1 65 65 ARG CB C 65 31.054 31.054 30.637 0.417 19367 6126 1 14 . 1 1 65 65 ARG H H 65 10.968 10.968 7.890 3.078 19367 6127 1 14 . 1 1 66 66 GLY N N 66 103.283 103.283 107.759 -4.476 19367 6128 1 14 . 1 1 66 66 GLY CA C 66 46.309 46.309 44.935 1.374 19367 6129 1 14 . 1 1 66 66 GLY H H 66 5.673 5.673 6.281 -0.608 19367 6130 1 14 . 1 1 67 67 ASP N N 67 120.001 120.001 118.521 1.480 19367 6131 1 14 . 1 1 67 67 ASP HA H 67 4.551 4.551 4.449 0.102 19367 6132 1 14 . 1 1 67 67 ASP CA C 67 55.488 55.488 55.055 0.433 19367 6133 1 14 . 1 1 67 67 ASP CB C 67 40.655 40.655 41.065 -0.410 19367 6134 1 14 . 1 1 67 67 ASP H H 67 7.960 7.960 8.247 -0.287 19367 6135 1 14 . 1 1 68 68 SER N N 68 110.787 110.787 111.684 -0.897 19367 6136 1 14 . 1 1 68 68 SER HA H 68 4.633 4.633 4.669 -0.036 19367 6137 1 14 . 1 1 68 68 SER CA C 68 56.762 56.762 57.131 -0.369 19367 6138 1 14 . 1 1 68 68 SER CB C 68 67.439 67.439 64.655 2.784 19367 6139 1 14 . 1 1 68 68 SER H H 68 7.692 7.692 7.374 0.318 19367 6140 1 14 . 1 1 69 69 ALA N N 69 122.464 122.464 123.688 -1.224 19367 6141 1 14 . 1 1 69 69 ALA HA H 69 4.692 4.692 4.440 0.252 19367 6142 1 14 . 1 1 69 69 ALA CA C 69 52.674 52.674 52.602 0.072 19367 6143 1 14 . 1 1 69 69 ALA CB C 69 18.751 18.751 19.651 -0.900 19367 6144 1 14 . 1 1 69 69 ALA H H 69 9.726 9.726 8.728 0.998 19367 6145 1 14 . 1 1 70 70 PHE N N 70 127.188 127.188 123.142 4.046 19367 6146 1 14 . 1 1 70 70 PHE HA H 70 4.085 4.085 4.141 -0.056 19367 6147 1 14 . 1 1 70 70 PHE CA C 70 62.108 62.108 61.380 0.728 19367 6148 1 14 . 1 1 70 70 PHE CB C 70 39.054 39.054 39.725 -0.671 19367 6149 1 14 . 1 1 70 70 PHE H H 70 9.774 9.774 8.663 1.111 19367 6150 1 14 . 1 1 71 71 TYR N N 71 117.533 117.533 118.006 -0.473 19367 6151 1 14 . 1 1 71 71 TYR HA H 71 3.449 3.449 3.850 -0.401 19367 6152 1 14 . 1 1 71 71 TYR CA C 71 61.684 61.684 61.674 0.010 19367 6153 1 14 . 1 1 71 71 TYR CB C 71 37.072 37.072 38.157 -1.085 19367 6154 1 14 . 1 1 71 71 TYR H H 71 9.720 9.720 8.735 0.985 19367 6155 1 14 . 1 1 72 72 THR N N 72 114.574 114.574 116.456 -1.882 19367 6156 1 14 . 1 1 72 72 THR HA H 72 5.436 5.436 4.003 1.433 19367 6157 1 14 . 1 1 72 72 THR CA C 72 63.426 63.426 67.416 -3.990 19367 6158 1 14 . 1 1 72 72 THR CB C 72 68.762 68.762 68.368 0.394 19367 6159 1 14 . 1 1 72 72 THR H H 72 6.675 6.675 7.809 -1.134 19367 6160 1 14 . 1 1 73 73 TRP N N 73 123.561 123.561 122.476 1.085 19367 6161 1 14 . 1 1 73 73 TRP HA H 73 3.956 3.956 4.573 -0.617 19367 6162 1 14 . 1 1 73 73 TRP CA C 73 62.112 62.112 60.071 2.041 19367 6163 1 14 . 1 1 73 73 TRP CB C 73 28.971 28.971 29.586 -0.615 19367 6164 1 14 . 1 1 73 73 TRP H H 73 6.924 6.924 7.306 -0.382 19367 6165 1 14 . 1 1 74 74 LEU N N 74 118.760 118.760 121.381 -2.621 19367 6166 1 14 . 1 1 74 74 LEU HA H 74 2.960 2.960 3.381 -0.421 19367 6167 1 14 . 1 1 74 74 LEU CA C 74 57.105 57.105 57.072 0.033 19367 6168 1 14 . 1 1 74 74 LEU CB C 74 41.503 41.503 41.388 0.115 19367 6169 1 14 . 1 1 74 74 LEU H H 74 7.903 7.903 7.946 -0.043 19367 6170 1 14 . 1 1 75 75 TYR N N 75 119.616 119.616 118.909 0.707 19367 6171 1 14 . 1 1 75 75 TYR HA H 75 2.928 2.928 3.763 -0.835 19367 6172 1 14 . 1 1 75 75 TYR CA C 75 60.187 60.187 61.600 -1.413 19367 6173 1 14 . 1 1 75 75 TYR CB C 75 37.987 37.987 38.104 -0.117 19367 6174 1 14 . 1 1 75 75 TYR H H 75 8.717 8.717 7.945 0.772 19367 6175 1 14 . 1 1 76 76 ARG N N 76 116.789 116.789 117.409 -0.620 19367 6176 1 14 . 1 1 76 76 ARG HA H 76 3.634 3.634 4.054 -0.420 19367 6177 1 14 . 1 1 76 76 ARG CA C 76 56.003 56.003 57.827 -1.824 19367 6178 1 14 . 1 1 76 76 ARG CB C 76 27.476 27.476 29.494 -2.018 19367 6179 1 14 . 1 1 76 76 ARG H H 76 6.809 6.809 7.474 -0.665 19367 6180 1 14 . 1 1 77 77 ILE N N 77 117.721 117.721 119.395 -1.674 19367 6181 1 14 . 1 1 77 77 ILE HA H 77 2.853 2.853 3.598 -0.745 19367 6182 1 14 . 1 1 77 77 ILE CA C 77 65.599 65.599 64.535 1.063 19367 6183 1 14 . 1 1 77 77 ILE CB C 77 36.937 36.937 37.131 -0.194 19367 6184 1 14 . 1 1 77 77 ILE H H 77 7.316 7.316 7.250 0.066 19367 6185 1 14 . 1 1 78 78 ALA N N 78 125.528 125.528 123.273 2.255 19367 6186 1 14 . 1 1 78 78 ALA HA H 78 3.369 3.369 3.852 -0.483 19367 6187 1 14 . 1 1 78 78 ALA CA C 78 55.876 55.876 54.835 1.041 19367 6188 1 14 . 1 1 78 78 ALA CB C 78 17.833 17.833 18.142 -0.309 19367 6189 1 14 . 1 1 78 78 ALA H H 78 8.788 8.788 7.535 1.253 19367 6190 1 14 . 1 1 79 79 VAL N N 79 117.392 117.392 117.860 -0.468 19367 6191 1 14 . 1 1 79 79 VAL HA H 79 2.819 2.819 3.515 -0.697 19367 6192 1 14 . 1 1 79 79 VAL CA C 79 67.174 67.174 64.905 2.269 19367 6193 1 14 . 1 1 79 79 VAL CB C 79 31.642 31.642 32.086 -0.444 19367 6194 1 14 . 1 1 79 79 VAL H H 79 8.046 8.046 7.570 0.476 19367 6195 1 14 . 1 1 80 80 ASN N N 80 117.152 117.152 116.879 0.273 19367 6196 1 14 . 1 1 80 80 ASN HA H 80 4.368 4.368 4.519 -0.151 19367 6197 1 14 . 1 1 80 80 ASN CA C 80 55.630 55.630 55.130 0.500 19367 6198 1 14 . 1 1 80 80 ASN CB C 80 36.752 36.752 38.106 -1.354 19367 6199 1 14 . 1 1 80 80 ASN H H 80 8.146 8.146 7.741 0.405 19367 6200 1 14 . 1 1 81 81 THR N N 81 119.140 119.140 117.890 1.250 19367 6201 1 14 . 1 1 81 81 THR HA H 81 3.795 3.795 4.089 -0.294 19367 6202 1 14 . 1 1 81 81 THR CA C 81 67.441 67.441 66.438 1.003 19367 6203 1 14 . 1 1 81 81 THR CB C 81 68.102 68.102 68.630 -0.528 19367 6204 1 14 . 1 1 81 81 THR H H 81 8.320 8.320 8.043 0.277 19367 6205 1 14 . 1 1 82 82 ALA N N 82 124.957 124.957 123.100 1.857 19367 6206 1 14 . 1 1 82 82 ALA HA H 82 3.789 3.789 4.054 -0.265 19367 6207 1 14 . 1 1 82 82 ALA CA C 82 55.415 55.415 54.725 0.690 19367 6208 1 14 . 1 1 82 82 ALA CB C 82 18.020 18.020 18.223 -0.203 19367 6209 1 14 . 1 1 82 82 ALA H H 82 8.037 8.037 7.690 0.347 19367 6210 1 14 . 1 1 83 83 LYS N N 83 116.190 116.190 117.497 -1.307 19367 6211 1 14 . 1 1 83 83 LYS HA H 83 3.815 3.815 4.029 -0.214 19367 6212 1 14 . 1 1 83 83 LYS CA C 83 60.160 60.160 58.866 1.294 19367 6213 1 14 . 1 1 83 83 LYS CB C 83 32.312 32.312 32.483 -0.172 19367 6214 1 14 . 1 1 83 83 LYS H H 83 8.314 8.314 7.657 0.657 19367 6215 1 14 . 1 1 84 84 ASN N N 84 117.083 117.083 117.641 -0.558 19367 6216 1 14 . 1 1 84 84 ASN HA H 84 4.486 4.486 4.516 -0.030 19367 6217 1 14 . 1 1 84 84 ASN CA C 84 55.213 55.213 55.071 0.142 19367 6218 1 14 . 1 1 84 84 ASN CB C 84 38.461 38.461 38.244 0.217 19367 6219 1 14 . 1 1 84 84 ASN H H 84 8.004 8.004 7.956 0.048 19367 6220 1 14 . 1 1 85 85 TYR N N 85 122.935 122.935 121.260 1.675 19367 6221 1 14 . 1 1 85 85 TYR HA H 85 4.147 4.147 4.246 -0.099 19367 6222 1 14 . 1 1 85 85 TYR CA C 85 61.408 61.408 61.490 -0.082 19367 6223 1 14 . 1 1 85 85 TYR CB C 85 38.428 38.428 38.707 -0.279 19367 6224 1 14 . 1 1 85 85 TYR H H 85 7.935 7.935 7.517 0.418 19367 6225 1 14 . 1 1 86 86 LEU N N 86 119.119 119.119 117.790 1.329 19367 6226 1 14 . 1 1 86 86 LEU HA H 86 3.998 3.998 4.026 -0.028 19367 6227 1 14 . 1 1 86 86 LEU CA C 86 57.647 57.647 57.242 0.405 19367 6228 1 14 . 1 1 86 86 LEU CB C 86 41.906 41.906 41.979 -0.073 19367 6229 1 14 . 1 1 86 86 LEU H H 86 7.810 7.810 7.396 0.414 19367 6230 1 14 . 1 1 87 87 VAL N N 87 118.991 118.991 114.622 4.369 19367 6231 1 14 . 1 1 87 87 VAL HA H 87 3.806 3.806 3.902 -0.096 19367 6232 1 14 . 1 1 87 87 VAL CA C 87 64.989 64.989 64.434 0.555 19367 6233 1 14 . 1 1 87 87 VAL CB C 87 32.126 32.126 30.344 1.782 19367 6234 1 14 . 1 1 87 87 VAL H H 87 7.701 7.701 7.406 0.295 19367 6235 1 14 . 1 1 88 88 ALA N N 88 123.643 123.643 123.317 0.326 19367 6236 1 14 . 1 1 88 88 ALA HA H 88 4.088 4.088 4.113 -0.025 19367 6237 1 14 . 1 1 88 88 ALA CA C 88 54.188 54.188 54.595 -0.407 19367 6238 1 14 . 1 1 88 88 ALA CB C 88 18.460 18.460 18.350 0.110 19367 6239 1 14 . 1 1 88 88 ALA H H 88 7.978 7.978 7.600 0.378 19367 6240 1 14 . 1 1 89 89 GLN N N 89 116.659 116.659 117.179 -0.520 19367 6241 1 14 . 1 1 89 89 GLN HA H 89 4.024 4.024 4.199 -0.175 19367 6242 1 14 . 1 1 89 89 GLN CA C 89 56.818 56.818 56.141 0.677 19367 6243 1 14 . 1 1 89 89 GLN CB C 89 28.776 28.776 29.000 -0.224 19367 6244 1 14 . 1 1 89 89 GLN H H 89 7.974 7.974 7.461 0.513 19367 6245 1 14 . 1 1 90 90 GLY N N 90 107.464 107.464 106.770 0.694 19367 6246 1 14 . 1 1 90 90 GLY CA C 90 45.782 45.782 45.034 0.748 19367 6247 1 14 . 1 1 90 90 GLY H H 90 7.967 7.967 7.793 0.174 19367 6248 1 14 . 1 1 91 91 ARG N N 91 119.736 119.736 117.333 2.403 19367 6249 1 14 . 1 1 91 91 ARG HA H 91 4.299 4.299 4.878 -0.579 19367 6250 1 14 . 1 1 91 91 ARG CA C 91 56.216 56.216 54.144 2.072 19367 6251 1 14 . 1 1 91 91 ARG CB C 91 30.805 30.805 33.141 -2.336 19367 6252 1 14 . 1 1 91 91 ARG H H 91 7.824 7.824 7.196 0.628 19367 6253 1 14 . 1 1 92 92 ARG N N 92 120.592 120.592 117.769 2.823 19367 6254 1 14 . 1 1 92 92 ARG HA H 92 4.270 4.270 4.089 0.181 19367 6255 1 14 . 1 1 92 92 ARG CA C 92 56.451 56.451 57.668 -1.217 19367 6256 1 14 . 1 1 92 92 ARG CB C 92 30.658 30.658 29.412 1.246 19367 6257 1 14 . 1 1 92 92 ARG H H 92 8.038 8.038 8.720 -0.682 19367 6258 1 14 . 1 1 93 93 LEU N N 93 122.274 122.274 118.544 3.730 19367 6259 1 14 . 1 1 93 93 LEU HA H 93 4.258 4.258 4.458 -0.200 19367 6260 1 14 . 1 1 93 93 LEU CA C 93 55.463 55.463 54.840 0.623 19367 6261 1 14 . 1 1 93 93 LEU CB C 93 42.203 42.203 42.230 -0.027 19367 6262 1 14 . 1 1 93 93 LEU H H 93 8.147 8.147 7.579 0.568 19367 6263 1 14 . 1 1 94 94 GLU N N 94 120.794 120.794 117.791 3.003 19367 6264 1 14 . 1 1 94 94 GLU HA H 94 4.249 4.249 4.424 -0.175 19367 6265 1 14 . 1 1 94 94 GLU CA C 94 56.557 56.557 56.185 0.372 19367 6266 1 14 . 1 1 94 94 GLU CB C 94 30.103 30.103 30.454 -0.351 19367 6267 1 14 . 1 1 94 94 GLU H H 94 8.241 8.241 8.085 0.156 19367 6268 1 14 . 1 1 95 95 LEU N N 95 122.290 122.290 119.881 2.409 19367 6269 1 14 . 1 1 95 95 LEU HA H 95 4.312 4.312 4.790 -0.478 19367 6270 1 14 . 1 1 95 95 LEU CA C 95 55.080 55.080 54.739 0.341 19367 6271 1 14 . 1 1 95 95 LEU CB C 95 42.130 42.130 44.078 -1.948 19367 6272 1 14 . 1 1 95 95 LEU H H 95 8.068 8.068 8.063 0.005 19367 6273 1 15 . 1 1 4 4 GLN N N 4 121.848 121.848 119.812 2.036 19367 6274 1 15 . 1 1 4 4 GLN HA H 4 4.307 4.307 4.536 -0.229 19367 6275 1 15 . 1 1 4 4 GLN CA C 4 55.724 55.724 54.951 0.773 19367 6276 1 15 . 1 1 4 4 GLN CB C 4 29.297 29.297 29.726 -0.429 19367 6277 1 15 . 1 1 4 4 GLN H H 4 8.500 8.500 8.417 0.083 19367 6278 1 15 . 1 1 5 5 LEU N N 5 124.347 124.347 125.437 -1.090 19367 6279 1 15 . 1 1 5 5 LEU HA H 5 4.548 4.548 4.540 0.008 19367 6280 1 15 . 1 1 5 5 LEU CA C 5 53.785 53.785 53.719 0.065 19367 6281 1 15 . 1 1 5 5 LEU CB C 5 41.886 41.886 40.362 1.524 19367 6282 1 15 . 1 1 5 5 LEU H H 5 8.565 8.565 8.482 0.083 19367 6283 1 15 . 1 1 6 6 THR N N 6 114.442 114.442 114.351 0.091 19367 6284 1 15 . 1 1 6 6 THR HA H 6 4.353 4.353 4.229 0.124 19367 6285 1 15 . 1 1 6 6 THR CA C 6 61.195 61.195 62.207 -1.012 19367 6286 1 15 . 1 1 6 6 THR CB C 6 70.541 70.541 70.355 0.186 19367 6287 1 15 . 1 1 6 6 THR H H 6 7.950 7.950 7.742 0.208 19367 6288 1 15 . 1 1 7 7 ASP N N 7 120.959 120.959 119.739 1.220 19367 6289 1 15 . 1 1 7 7 ASP HA H 7 4.197 4.197 4.304 -0.107 19367 6290 1 15 . 1 1 7 7 ASP CA C 7 57.820 57.820 57.228 0.591 19367 6291 1 15 . 1 1 7 7 ASP CB C 7 39.621 39.621 40.142 -0.521 19367 6292 1 15 . 1 1 7 7 ASP H H 7 9.008 9.008 9.029 -0.021 19367 6293 1 15 . 1 1 8 8 GLN N N 8 116.649 116.649 119.513 -2.864 19367 6294 1 15 . 1 1 8 8 GLN HA H 8 4.012 4.012 4.210 -0.198 19367 6295 1 15 . 1 1 8 8 GLN CA C 8 59.746 59.746 58.558 1.188 19367 6296 1 15 . 1 1 8 8 GLN CB C 8 28.188 28.188 28.861 -0.673 19367 6297 1 15 . 1 1 8 8 GLN H H 8 8.561 8.561 7.515 1.046 19367 6298 1 15 . 1 1 9 9 VAL N N 9 120.579 120.579 120.452 0.127 19367 6299 1 15 . 1 1 9 9 VAL HA H 9 3.760 3.760 4.165 -0.405 19367 6300 1 15 . 1 1 9 9 VAL CA C 9 66.108 66.108 63.788 2.320 19367 6301 1 15 . 1 1 9 9 VAL CB C 9 31.558 31.558 32.130 -0.572 19367 6302 1 15 . 1 1 9 9 VAL H H 9 7.450 7.450 7.425 0.025 19367 6303 1 15 . 1 1 10 10 LEU N N 10 119.806 119.806 120.837 -1.031 19367 6304 1 15 . 1 1 10 10 LEU HA H 10 3.917 3.917 4.129 -0.212 19367 6305 1 15 . 1 1 10 10 LEU CA C 10 58.415 58.415 57.775 0.640 19367 6306 1 15 . 1 1 10 10 LEU CB C 10 41.299 41.299 41.897 -0.598 19367 6307 1 15 . 1 1 10 10 LEU H H 10 7.865 7.865 8.255 -0.390 19367 6308 1 15 . 1 1 11 11 VAL N N 11 119.041 119.041 118.687 0.354 19367 6309 1 15 . 1 1 11 11 VAL HA H 11 3.280 3.280 3.405 -0.125 19367 6310 1 15 . 1 1 11 11 VAL CA C 11 67.631 67.631 66.325 1.306 19367 6311 1 15 . 1 1 11 11 VAL CB C 11 31.723 31.723 31.526 0.197 19367 6312 1 15 . 1 1 11 11 VAL H H 11 8.734 8.734 7.471 1.263 19367 6313 1 15 . 1 1 12 12 GLU N N 12 119.018 119.018 119.342 -0.324 19367 6314 1 15 . 1 1 12 12 GLU HA H 12 4.110 4.110 4.049 0.061 19367 6315 1 15 . 1 1 12 12 GLU CA C 12 59.514 59.514 58.973 0.541 19367 6316 1 15 . 1 1 12 12 GLU CB C 12 28.603 28.603 29.257 -0.654 19367 6317 1 15 . 1 1 12 12 GLU H H 12 7.802 7.802 7.611 0.191 19367 6318 1 15 . 1 1 13 13 ARG N N 13 117.242 117.242 119.825 -2.583 19367 6319 1 15 . 1 1 13 13 ARG HA H 13 4.011 4.011 4.141 -0.130 19367 6320 1 15 . 1 1 13 13 ARG CA C 13 60.016 60.016 59.120 0.896 19367 6321 1 15 . 1 1 13 13 ARG CB C 13 27.737 27.737 30.220 -2.482 19367 6322 1 15 . 1 1 13 13 ARG H H 13 8.107 8.107 7.847 0.260 19367 6323 1 15 . 1 1 14 14 VAL N N 14 121.430 121.430 119.477 1.953 19367 6324 1 15 . 1 1 14 14 VAL HA H 14 3.767 3.767 4.156 -0.389 19367 6325 1 15 . 1 1 14 14 VAL CA C 14 66.462 66.462 65.604 0.858 19367 6326 1 15 . 1 1 14 14 VAL CB C 14 31.616 31.616 31.982 -0.366 19367 6327 1 15 . 1 1 14 14 VAL H H 14 8.435 8.435 7.516 0.919 19367 6328 1 15 . 1 1 15 15 GLN N N 15 120.667 120.667 119.061 1.606 19367 6329 1 15 . 1 1 15 15 GLN HA H 15 4.088 4.088 4.083 0.005 19367 6330 1 15 . 1 1 15 15 GLN CA C 15 58.628 58.628 58.155 0.473 19367 6331 1 15 . 1 1 15 15 GLN CB C 15 27.995 27.995 28.351 -0.356 19367 6332 1 15 . 1 1 15 15 GLN H H 15 8.670 8.670 7.822 0.848 19367 6333 1 15 . 1 1 16 16 LYS N N 16 116.797 116.797 118.621 -1.824 19367 6334 1 15 . 1 1 16 16 LYS HA H 16 4.374 4.374 4.284 0.090 19367 6335 1 15 . 1 1 16 16 LYS CA C 16 56.278 56.278 56.216 0.062 19367 6336 1 15 . 1 1 16 16 LYS CB C 16 32.299 32.299 32.838 -0.539 19367 6337 1 15 . 1 1 16 16 LYS H H 16 7.700 7.700 7.723 -0.023 19367 6338 1 15 . 1 1 17 17 GLY N N 17 107.001 107.001 107.618 -0.617 19367 6339 1 15 . 1 1 17 17 GLY CA C 17 45.608 45.608 44.873 0.735 19367 6340 1 15 . 1 1 17 17 GLY H H 17 7.927 7.927 7.706 0.221 19367 6341 1 15 . 1 1 18 18 ASP N N 18 121.666 121.666 121.884 -0.218 19367 6342 1 15 . 1 1 18 18 ASP HA H 18 4.769 4.769 4.701 0.068 19367 6343 1 15 . 1 1 18 18 ASP CA C 18 52.999 52.999 53.968 -0.969 19367 6344 1 15 . 1 1 18 18 ASP CB C 18 40.814 40.814 41.316 -0.502 19367 6345 1 15 . 1 1 18 18 ASP H H 18 8.255 8.255 7.623 0.632 19367 6346 1 15 . 1 1 19 19 GLN N N 19 124.874 124.874 125.691 -0.817 19367 6347 1 15 . 1 1 19 19 GLN HA H 19 4.150 4.150 4.356 -0.206 19367 6348 1 15 . 1 1 19 19 GLN CA C 19 58.922 58.922 58.124 0.798 19367 6349 1 15 . 1 1 19 19 GLN CB C 19 28.759 28.759 29.026 -0.267 19367 6350 1 15 . 1 1 19 19 GLN H H 19 8.392 8.392 8.683 -0.291 19367 6351 1 15 . 1 1 20 20 LYS N N 20 119.006 119.006 118.987 0.019 19367 6352 1 15 . 1 1 20 20 LYS HA H 20 4.118 4.118 4.171 -0.053 19367 6353 1 15 . 1 1 20 20 LYS CA C 20 58.642 58.642 58.173 0.469 19367 6354 1 15 . 1 1 20 20 LYS CB C 20 31.678 31.678 32.098 -0.420 19367 6355 1 15 . 1 1 20 20 LYS H H 20 8.348 8.348 8.119 0.229 19367 6356 1 15 . 1 1 21 21 ALA N N 21 121.687 121.687 121.686 0.001 19367 6357 1 15 . 1 1 21 21 ALA HA H 21 4.010 4.010 4.177 -0.167 19367 6358 1 15 . 1 1 21 21 ALA CA C 21 54.485 54.485 54.727 -0.242 19367 6359 1 15 . 1 1 21 21 ALA CB C 21 18.634 18.634 18.169 0.465 19367 6360 1 15 . 1 1 21 21 ALA H H 21 7.500 7.500 8.285 -0.785 19367 6361 1 15 . 1 1 22 22 PHE N N 22 117.219 117.219 118.761 -1.542 19367 6362 1 15 . 1 1 22 22 PHE HA H 22 3.994 3.994 4.237 -0.243 19367 6363 1 15 . 1 1 22 22 PHE CA C 22 61.907 61.907 60.776 1.131 19367 6364 1 15 . 1 1 22 22 PHE CB C 22 38.571 38.571 39.564 -0.993 19367 6365 1 15 . 1 1 22 22 PHE H H 22 7.810 7.810 7.790 0.020 19367 6366 1 15 . 1 1 23 23 ASN N N 23 115.600 115.600 119.030 -3.430 19367 6367 1 15 . 1 1 23 23 ASN HA H 23 4.163 4.163 4.341 -0.178 19367 6368 1 15 . 1 1 23 23 ASN CA C 23 56.264 56.264 56.462 -0.198 19367 6369 1 15 . 1 1 23 23 ASN CB C 23 38.131 38.131 38.450 -0.320 19367 6370 1 15 . 1 1 23 23 ASN H H 23 7.711 7.711 7.733 -0.022 19367 6371 1 15 . 1 1 24 24 LEU N N 24 117.605 117.605 119.453 -1.848 19367 6372 1 15 . 1 1 24 24 LEU HA H 24 3.999 3.999 4.126 -0.127 19367 6373 1 15 . 1 1 24 24 LEU CA C 24 57.811 57.811 57.230 0.581 19367 6374 1 15 . 1 1 24 24 LEU CB C 24 41.367 41.367 40.990 0.376 19367 6375 1 15 . 1 1 24 24 LEU H H 24 7.344 7.344 7.614 -0.270 19367 6376 1 15 . 1 1 25 25 LEU N N 25 120.426 120.426 120.454 -0.028 19367 6377 1 15 . 1 1 25 25 LEU HA H 25 3.938 3.938 4.048 -0.110 19367 6378 1 15 . 1 1 25 25 LEU CA C 25 57.863 57.863 57.171 0.692 19367 6379 1 15 . 1 1 25 25 LEU CB C 25 41.479 41.479 41.629 -0.150 19367 6380 1 15 . 1 1 25 25 LEU H H 25 7.036 7.036 7.294 -0.258 19367 6381 1 15 . 1 1 26 26 VAL N N 26 119.676 119.676 119.512 0.164 19367 6382 1 15 . 1 1 26 26 VAL HA H 26 2.857 2.857 2.790 0.067 19367 6383 1 15 . 1 1 26 26 VAL CA C 26 65.821 65.821 66.518 -0.697 19367 6384 1 15 . 1 1 26 26 VAL CB C 26 30.816 30.816 31.026 -0.210 19367 6385 1 15 . 1 1 26 26 VAL H H 26 7.369 7.369 7.595 -0.226 19367 6386 1 15 . 1 1 27 27 VAL N N 27 117.098 117.098 117.911 -0.813 19367 6387 1 15 . 1 1 27 27 VAL HA H 27 3.542 3.542 3.603 -0.061 19367 6388 1 15 . 1 1 27 27 VAL CA C 27 65.837 65.837 65.692 0.145 19367 6389 1 15 . 1 1 27 27 VAL CB C 27 31.728 31.728 31.373 0.355 19367 6390 1 15 . 1 1 27 27 VAL H H 27 7.816 7.816 7.675 0.141 19367 6391 1 15 . 1 1 28 28 ARG N N 28 118.592 118.592 119.311 -0.719 19367 6392 1 15 . 1 1 28 28 ARG HA H 28 3.838 3.838 3.993 -0.155 19367 6393 1 15 . 1 1 28 28 ARG CA C 28 59.356 59.356 58.442 0.914 19367 6394 1 15 . 1 1 28 28 ARG CB C 28 31.069 31.069 30.141 0.928 19367 6395 1 15 . 1 1 28 28 ARG H H 28 7.491 7.491 7.390 0.101 19367 6396 1 15 . 1 1 29 29 TYR N N 29 112.635 112.635 116.206 -3.571 19367 6397 1 15 . 1 1 29 29 TYR HA H 29 4.945 4.945 4.879 0.066 19367 6398 1 15 . 1 1 29 29 TYR CA C 29 60.438 60.438 57.995 2.443 19367 6399 1 15 . 1 1 29 29 TYR CB C 29 40.619 40.619 40.430 0.189 19367 6400 1 15 . 1 1 29 29 TYR H H 29 7.675 7.675 7.503 0.172 19367 6401 1 15 . 1 1 30 30 GLN N N 30 123.043 123.043 121.494 1.549 19367 6402 1 15 . 1 1 30 30 GLN HA H 30 4.119 4.119 4.405 -0.286 19367 6403 1 15 . 1 1 30 30 GLN CA C 30 61.409 61.409 59.679 1.730 19367 6404 1 15 . 1 1 30 30 GLN CB C 30 26.933 26.933 28.066 -1.133 19367 6405 1 15 . 1 1 30 30 GLN H H 30 9.056 9.056 8.283 0.773 19367 6406 1 15 . 1 1 31 31 HIS N N 31 118.704 118.704 119.125 -0.421 19367 6407 1 15 . 1 1 31 31 HIS HA H 31 4.435 4.435 4.545 -0.110 19367 6408 1 15 . 1 1 31 31 HIS CA C 31 59.580 59.580 58.529 1.052 19367 6409 1 15 . 1 1 31 31 HIS CB C 31 29.396 29.396 30.186 -0.790 19367 6410 1 15 . 1 1 31 31 HIS H H 31 8.616 8.616 8.586 0.030 19367 6411 1 15 . 1 1 32 32 LYS N N 32 122.594 122.594 120.077 2.517 19367 6412 1 15 . 1 1 32 32 LYS HA H 32 4.029 4.029 4.141 -0.112 19367 6413 1 15 . 1 1 32 32 LYS CA C 32 59.869 59.869 59.316 0.553 19367 6414 1 15 . 1 1 32 32 LYS CB C 32 32.580 32.580 32.517 0.063 19367 6415 1 15 . 1 1 32 32 LYS H H 32 7.848 7.848 7.620 0.228 19367 6416 1 15 . 1 1 33 33 VAL N N 33 119.621 119.621 119.579 0.042 19367 6417 1 15 . 1 1 33 33 VAL HA H 33 3.480 3.480 3.903 -0.423 19367 6418 1 15 . 1 1 33 33 VAL CA C 33 66.671 66.671 64.403 2.268 19367 6419 1 15 . 1 1 33 33 VAL CB C 33 31.142 31.142 31.960 -0.819 19367 6420 1 15 . 1 1 33 33 VAL H H 33 8.653 8.653 8.682 -0.029 19367 6421 1 15 . 1 1 34 34 ALA N N 34 122.622 122.622 121.327 1.295 19367 6422 1 15 . 1 1 34 34 ALA HA H 34 3.736 3.736 4.084 -0.348 19367 6423 1 15 . 1 1 34 34 ALA CA C 34 55.762 55.762 54.979 0.783 19367 6424 1 15 . 1 1 34 34 ALA CB C 34 17.681 17.681 18.129 -0.448 19367 6425 1 15 . 1 1 34 34 ALA H H 34 8.498 8.498 7.726 0.772 19367 6426 1 15 . 1 1 35 35 SER N N 35 113.674 113.674 114.127 -0.453 19367 6427 1 15 . 1 1 35 35 SER HA H 35 4.040 4.040 4.212 -0.172 19367 6428 1 15 . 1 1 35 35 SER CA C 35 61.765 61.765 61.364 0.401 19367 6429 1 15 . 1 1 35 35 SER CB C 35 62.766 62.766 63.169 -0.403 19367 6430 1 15 . 1 1 35 35 SER H H 35 7.897 7.897 7.497 0.400 19367 6431 1 15 . 1 1 36 36 LEU N N 36 123.203 123.203 121.725 1.478 19367 6432 1 15 . 1 1 36 36 LEU HA H 36 3.992 3.992 4.270 -0.278 19367 6433 1 15 . 1 1 36 36 LEU CA C 36 57.863 57.863 57.142 0.721 19367 6434 1 15 . 1 1 36 36 LEU CB C 36 42.718 42.718 42.157 0.561 19367 6435 1 15 . 1 1 36 36 LEU H H 36 7.494 7.494 7.167 0.327 19367 6436 1 15 . 1 1 37 37 VAL N N 37 114.122 114.122 114.931 -0.809 19367 6437 1 15 . 1 1 37 37 VAL HA H 37 3.627 3.627 3.970 -0.343 19367 6438 1 15 . 1 1 37 37 VAL CA C 37 65.879 65.879 65.472 0.407 19367 6439 1 15 . 1 1 37 37 VAL CB C 37 31.214 31.214 31.013 0.201 19367 6440 1 15 . 1 1 37 37 VAL H H 37 8.530 8.530 8.328 0.202 19367 6441 1 15 . 1 1 38 38 SER N N 38 116.259 116.259 115.745 0.514 19367 6442 1 15 . 1 1 38 38 SER HA H 38 4.276 4.276 4.289 -0.013 19367 6443 1 15 . 1 1 38 38 SER CA C 38 60.898 60.898 60.011 0.887 19367 6444 1 15 . 1 1 38 38 SER CB C 38 63.143 63.143 62.868 0.275 19367 6445 1 15 . 1 1 38 38 SER H H 38 8.136 8.136 7.654 0.482 19367 6446 1 15 . 1 1 39 39 ARG N N 39 119.029 119.029 118.266 0.763 19367 6447 1 15 . 1 1 39 39 ARG HA H 39 3.995 3.995 3.953 0.042 19367 6448 1 15 . 1 1 39 39 ARG CA C 39 57.640 57.640 57.467 0.173 19367 6449 1 15 . 1 1 39 39 ARG CB C 39 29.719 29.719 30.163 -0.444 19367 6450 1 15 . 1 1 39 39 ARG H H 39 7.310 7.310 7.282 0.028 19367 6451 1 15 . 1 1 40 40 TYR N N 40 114.123 114.123 115.441 -1.318 19367 6452 1 15 . 1 1 40 40 TYR HA H 40 4.472 4.472 4.699 -0.227 19367 6453 1 15 . 1 1 40 40 TYR CA C 40 59.298 59.298 57.995 1.303 19367 6454 1 15 . 1 1 40 40 TYR CB C 40 42.809 42.809 41.103 1.706 19367 6455 1 15 . 1 1 40 40 TYR H H 40 7.786 7.786 7.760 0.026 19367 6456 1 15 . 1 1 41 41 VAL N N 41 112.721 112.721 113.596 -0.875 19367 6457 1 15 . 1 1 41 41 VAL HA H 41 4.853 4.853 4.754 0.099 19367 6458 1 15 . 1 1 41 41 VAL CA C 41 57.942 57.942 58.327 -0.385 19367 6459 1 15 . 1 1 41 41 VAL CB C 41 33.171 33.171 34.044 -0.873 19367 6460 1 15 . 1 1 41 41 VAL H H 41 7.388 7.388 7.570 -0.182 19367 6461 1 15 . 1 1 42 42 PRO HA H 42 4.415 4.415 4.583 -0.168 19367 6462 1 15 . 1 1 42 42 PRO CA C 42 62.645 62.645 63.197 -0.552 19367 6463 1 15 . 1 1 42 42 PRO CB C 42 32.603 32.603 32.378 0.225 19367 6464 1 15 . 1 1 43 43 SER N N 43 116.784 116.784 116.971 -0.187 19367 6465 1 15 . 1 1 43 43 SER HA H 43 4.009 4.009 4.194 -0.185 19367 6466 1 15 . 1 1 43 43 SER CA C 43 62.098 62.098 60.191 1.907 19367 6467 1 15 . 1 1 43 43 SER CB C 43 62.862 62.862 62.790 0.072 19367 6468 1 15 . 1 1 43 43 SER H H 43 8.602 8.602 8.494 0.108 19367 6469 1 15 . 1 1 44 44 GLY N N 44 107.756 107.756 109.013 -1.257 19367 6470 1 15 . 1 1 44 44 GLY CA C 44 46.503 46.503 45.585 0.918 19367 6471 1 15 . 1 1 44 44 GLY H H 44 8.812 8.812 8.236 0.576 19367 6472 1 15 . 1 1 45 45 ASP N N 45 117.822 117.822 119.989 -2.167 19367 6473 1 15 . 1 1 45 45 ASP HA H 45 4.875 4.875 4.858 0.017 19367 6474 1 15 . 1 1 45 45 ASP CA C 45 54.770 54.770 53.848 0.922 19367 6475 1 15 . 1 1 45 45 ASP CB C 45 42.593 42.593 42.448 0.145 19367 6476 1 15 . 1 1 45 45 ASP H H 45 7.764 7.764 8.007 -0.243 19367 6477 1 15 . 1 1 46 46 VAL N N 46 119.385 119.385 122.050 -2.665 19367 6478 1 15 . 1 1 46 46 VAL HA H 46 3.233 3.233 3.711 -0.478 19367 6479 1 15 . 1 1 46 46 VAL CA C 46 68.546 68.546 69.055 -0.509 19367 6480 1 15 . 1 1 46 46 VAL CB C 46 29.851 29.851 29.812 0.039 19367 6481 1 15 . 1 1 46 46 VAL H H 46 7.148 7.148 7.420 -0.272 19367 6482 1 15 . 1 1 47 47 PRO HA H 47 4.113 4.113 4.273 -0.160 19367 6483 1 15 . 1 1 47 47 PRO CA C 47 66.527 66.527 65.807 0.720 19367 6484 1 15 . 1 1 47 47 PRO CB C 47 28.496 28.496 30.945 -2.449 19367 6485 1 15 . 1 1 48 48 ASP N N 48 116.654 116.654 119.113 -2.459 19367 6486 1 15 . 1 1 48 48 ASP HA H 48 4.384 4.384 4.526 -0.142 19367 6487 1 15 . 1 1 48 48 ASP CA C 48 57.268 57.268 57.305 -0.037 19367 6488 1 15 . 1 1 48 48 ASP CB C 48 40.657 40.657 40.642 0.015 19367 6489 1 15 . 1 1 48 48 ASP H H 48 7.473 7.473 7.609 -0.136 19367 6490 1 15 . 1 1 49 49 VAL N N 49 121.848 121.848 120.216 1.632 19367 6491 1 15 . 1 1 49 49 VAL HA H 49 3.364 3.364 3.699 -0.335 19367 6492 1 15 . 1 1 49 49 VAL CA C 49 66.354 66.354 65.325 1.029 19367 6493 1 15 . 1 1 49 49 VAL CB C 49 30.961 30.961 31.593 -0.632 19367 6494 1 15 . 1 1 49 49 VAL H H 49 7.600 7.600 7.614 -0.014 19367 6495 1 15 . 1 1 50 50 VAL N N 50 119.961 119.961 120.328 -0.367 19367 6496 1 15 . 1 1 50 50 VAL HA H 50 3.176 3.176 3.547 -0.371 19367 6497 1 15 . 1 1 50 50 VAL CA C 50 67.270 67.270 66.750 0.520 19367 6498 1 15 . 1 1 50 50 VAL CB C 50 31.662 31.662 31.601 0.061 19367 6499 1 15 . 1 1 50 50 VAL H H 50 8.567 8.567 8.438 0.129 19367 6500 1 15 . 1 1 51 51 GLN N N 51 116.203 116.203 118.159 -1.956 19367 6501 1 15 . 1 1 51 51 GLN HA H 51 4.204 4.204 4.223 -0.019 19367 6502 1 15 . 1 1 51 51 GLN CA C 51 59.334 59.334 58.841 0.493 19367 6503 1 15 . 1 1 51 51 GLN CB C 51 28.717 28.717 28.545 0.172 19367 6504 1 15 . 1 1 51 51 GLN H H 51 7.802 7.802 7.752 0.050 19367 6505 1 15 . 1 1 52 52 GLU N N 52 119.616 119.616 119.888 -0.272 19367 6506 1 15 . 1 1 52 52 GLU HA H 52 4.085 4.085 4.220 -0.135 19367 6507 1 15 . 1 1 52 52 GLU CA C 52 59.267 59.267 58.138 1.129 19367 6508 1 15 . 1 1 52 52 GLU CB C 52 29.178 29.178 29.637 -0.459 19367 6509 1 15 . 1 1 52 52 GLU H H 52 7.880 7.880 7.697 0.183 19367 6510 1 15 . 1 1 53 53 ALA N N 53 120.964 120.964 122.222 -1.258 19367 6511 1 15 . 1 1 53 53 ALA HA H 53 3.713 3.713 4.150 -0.437 19367 6512 1 15 . 1 1 53 53 ALA CA C 53 55.176 55.176 54.287 0.889 19367 6513 1 15 . 1 1 53 53 ALA CB C 53 16.573 16.573 18.452 -1.879 19367 6514 1 15 . 1 1 53 53 ALA H H 53 8.381 8.381 7.427 0.954 19367 6515 1 15 . 1 1 54 54 PHE N N 54 113.370 113.370 117.294 -3.924 19367 6516 1 15 . 1 1 54 54 PHE HA H 54 4.329 4.329 4.575 -0.246 19367 6517 1 15 . 1 1 54 54 PHE CA C 54 63.496 63.496 61.122 2.374 19367 6518 1 15 . 1 1 54 54 PHE CB C 54 39.097 39.097 39.256 -0.159 19367 6519 1 15 . 1 1 54 54 PHE H H 54 7.942 7.942 7.959 -0.017 19367 6520 1 15 . 1 1 55 55 ILE N N 55 121.983 121.983 119.694 2.289 19367 6521 1 15 . 1 1 55 55 ILE HA H 55 3.946 3.946 3.978 -0.032 19367 6522 1 15 . 1 1 55 55 ILE CA C 55 64.969 64.969 62.834 2.135 19367 6523 1 15 . 1 1 55 55 ILE CB C 55 37.589 37.589 37.521 0.068 19367 6524 1 15 . 1 1 55 55 ILE H H 55 8.373 8.373 7.802 0.571 19367 6525 1 15 . 1 1 56 56 LYS N N 56 120.661 120.661 120.785 -0.124 19367 6526 1 15 . 1 1 56 56 LYS HA H 56 3.860 3.860 4.152 -0.292 19367 6527 1 15 . 1 1 56 56 LYS CA C 56 59.835 59.835 58.505 1.330 19367 6528 1 15 . 1 1 56 56 LYS CB C 56 31.904 31.904 31.992 -0.088 19367 6529 1 15 . 1 1 56 56 LYS H H 56 8.318 8.318 7.713 0.605 19367 6530 1 15 . 1 1 57 57 ALA N N 57 119.884 119.884 121.841 -1.957 19367 6531 1 15 . 1 1 57 57 ALA HA H 57 3.784 3.784 4.272 -0.488 19367 6532 1 15 . 1 1 57 57 ALA CA C 57 54.552 54.552 54.646 -0.094 19367 6533 1 15 . 1 1 57 57 ALA CB C 57 18.251 18.251 18.544 -0.293 19367 6534 1 15 . 1 1 57 57 ALA H H 57 7.937 7.937 7.532 0.405 19367 6535 1 15 . 1 1 58 58 TYR N N 58 116.541 116.541 119.852 -3.311 19367 6536 1 15 . 1 1 58 58 TYR HA H 58 3.549 3.549 3.658 -0.109 19367 6537 1 15 . 1 1 58 58 TYR CA C 58 61.528 61.528 61.088 0.440 19367 6538 1 15 . 1 1 58 58 TYR CB C 58 37.885 37.885 38.460 -0.575 19367 6539 1 15 . 1 1 58 58 TYR H H 58 8.404 8.404 8.098 0.306 19367 6540 1 15 . 1 1 59 59 ARG N N 59 116.321 116.321 116.001 0.320 19367 6541 1 15 . 1 1 59 59 ARG HA H 59 3.791 3.791 4.176 -0.385 19367 6542 1 15 . 1 1 59 59 ARG CA C 59 58.500 58.500 56.765 1.735 19367 6543 1 15 . 1 1 59 59 ARG CB C 59 30.268 30.268 30.473 -0.204 19367 6544 1 15 . 1 1 59 59 ARG H H 59 8.404 8.404 7.744 0.660 19367 6545 1 15 . 1 1 60 60 ALA N N 60 118.867 118.867 121.667 -2.800 19367 6546 1 15 . 1 1 60 60 ALA HA H 60 4.879 4.879 4.584 0.295 19367 6547 1 15 . 1 1 60 60 ALA CA C 60 51.372 51.372 52.053 -0.681 19367 6548 1 15 . 1 1 60 60 ALA CB C 60 20.539 20.539 20.107 0.432 19367 6549 1 15 . 1 1 60 60 ALA H H 60 7.630 7.630 7.824 -0.194 19367 6550 1 15 . 1 1 61 61 LEU N N 61 124.902 124.902 121.025 3.877 19367 6551 1 15 . 1 1 61 61 LEU HA H 61 4.094 4.094 4.089 0.005 19367 6552 1 15 . 1 1 61 61 LEU CA C 61 58.442 58.442 56.845 1.597 19367 6553 1 15 . 1 1 61 61 LEU CB C 61 42.290 42.290 42.037 0.253 19367 6554 1 15 . 1 1 61 61 LEU H H 61 7.598 7.598 7.928 -0.330 19367 6555 1 15 . 1 1 62 62 ASP N N 62 117.094 117.094 119.226 -2.132 19367 6556 1 15 . 1 1 62 62 ASP HA H 62 4.345 4.345 4.466 -0.121 19367 6557 1 15 . 1 1 62 62 ASP CA C 62 56.690 56.690 55.918 0.772 19367 6558 1 15 . 1 1 62 62 ASP CB C 62 39.812 39.812 40.675 -0.863 19367 6559 1 15 . 1 1 62 62 ASP H H 62 8.686 8.686 8.777 -0.091 19367 6560 1 15 . 1 1 63 63 SER N N 63 112.854 112.854 113.150 -0.296 19367 6561 1 15 . 1 1 63 63 SER HA H 63 4.554 4.554 4.506 0.048 19367 6562 1 15 . 1 1 63 63 SER CA C 63 58.052 58.052 57.124 0.928 19367 6563 1 15 . 1 1 63 63 SER CB C 63 64.719 64.719 64.280 0.439 19367 6564 1 15 . 1 1 63 63 SER H H 63 7.969 7.969 7.493 0.476 19367 6565 1 15 . 1 1 64 64 PHE N N 64 125.623 125.623 124.319 1.304 19367 6566 1 15 . 1 1 64 64 PHE HA H 64 4.238 4.238 4.021 0.217 19367 6567 1 15 . 1 1 64 64 PHE CA C 64 56.826 56.826 58.901 -2.075 19367 6568 1 15 . 1 1 64 64 PHE CB C 64 38.210 38.210 39.455 -1.245 19367 6569 1 15 . 1 1 64 64 PHE H H 64 7.383 7.383 7.454 -0.071 19367 6570 1 15 . 1 1 65 65 ARG N N 65 133.273 133.273 123.750 9.523 19367 6571 1 15 . 1 1 65 65 ARG HA H 65 3.861 3.861 4.142 -0.281 19367 6572 1 15 . 1 1 65 65 ARG CA C 65 57.826 57.826 55.756 2.070 19367 6573 1 15 . 1 1 65 65 ARG CB C 65 31.054 31.054 30.528 0.526 19367 6574 1 15 . 1 1 65 65 ARG H H 65 10.968 10.968 7.986 2.982 19367 6575 1 15 . 1 1 66 66 GLY N N 66 103.283 103.283 107.554 -4.271 19367 6576 1 15 . 1 1 66 66 GLY CA C 66 46.309 46.309 45.573 0.736 19367 6577 1 15 . 1 1 66 66 GLY H H 66 5.673 5.673 6.495 -0.822 19367 6578 1 15 . 1 1 67 67 ASP N N 67 120.001 120.001 119.018 0.983 19367 6579 1 15 . 1 1 67 67 ASP HA H 67 4.551 4.551 4.559 -0.008 19367 6580 1 15 . 1 1 67 67 ASP CA C 67 55.488 55.488 55.539 -0.051 19367 6581 1 15 . 1 1 67 67 ASP CB C 67 40.655 40.655 41.038 -0.383 19367 6582 1 15 . 1 1 67 67 ASP H H 67 7.960 7.960 8.265 -0.305 19367 6583 1 15 . 1 1 68 68 SER N N 68 110.787 110.787 111.733 -0.946 19367 6584 1 15 . 1 1 68 68 SER HA H 68 4.633 4.633 4.650 -0.017 19367 6585 1 15 . 1 1 68 68 SER CA C 68 56.762 56.762 57.149 -0.387 19367 6586 1 15 . 1 1 68 68 SER CB C 68 67.439 67.439 64.579 2.860 19367 6587 1 15 . 1 1 68 68 SER H H 68 7.692 7.692 7.381 0.311 19367 6588 1 15 . 1 1 69 69 ALA N N 69 122.464 122.464 123.816 -1.352 19367 6589 1 15 . 1 1 69 69 ALA HA H 69 4.692 4.692 4.424 0.268 19367 6590 1 15 . 1 1 69 69 ALA CA C 69 52.674 52.674 52.675 -0.001 19367 6591 1 15 . 1 1 69 69 ALA CB C 69 18.751 18.751 19.641 -0.890 19367 6592 1 15 . 1 1 69 69 ALA H H 69 9.726 9.726 8.677 1.049 19367 6593 1 15 . 1 1 70 70 PHE N N 70 127.188 127.188 122.672 4.516 19367 6594 1 15 . 1 1 70 70 PHE HA H 70 4.085 4.085 4.188 -0.103 19367 6595 1 15 . 1 1 70 70 PHE CA C 70 62.108 62.108 61.324 0.784 19367 6596 1 15 . 1 1 70 70 PHE CB C 70 39.054 39.054 39.764 -0.710 19367 6597 1 15 . 1 1 70 70 PHE H H 70 9.774 9.774 8.631 1.143 19367 6598 1 15 . 1 1 71 71 TYR N N 71 117.533 117.533 118.059 -0.526 19367 6599 1 15 . 1 1 71 71 TYR HA H 71 3.449 3.449 3.899 -0.450 19367 6600 1 15 . 1 1 71 71 TYR CA C 71 61.684 61.684 60.631 1.053 19367 6601 1 15 . 1 1 71 71 TYR CB C 71 37.072 37.072 37.716 -0.644 19367 6602 1 15 . 1 1 71 71 TYR H H 71 9.720 9.720 8.763 0.957 19367 6603 1 15 . 1 1 72 72 THR N N 72 114.574 114.574 116.974 -2.400 19367 6604 1 15 . 1 1 72 72 THR HA H 72 5.436 5.436 3.954 1.482 19367 6605 1 15 . 1 1 72 72 THR CA C 72 63.426 63.426 67.427 -4.000 19367 6606 1 15 . 1 1 72 72 THR CB C 72 68.762 68.762 68.386 0.376 19367 6607 1 15 . 1 1 72 72 THR H H 72 6.675 6.675 7.840 -1.165 19367 6608 1 15 . 1 1 73 73 TRP N N 73 123.561 123.561 122.572 0.989 19367 6609 1 15 . 1 1 73 73 TRP HA H 73 3.956 3.956 4.562 -0.606 19367 6610 1 15 . 1 1 73 73 TRP CA C 73 62.112 62.112 60.156 1.956 19367 6611 1 15 . 1 1 73 73 TRP CB C 73 28.971 28.971 29.607 -0.636 19367 6612 1 15 . 1 1 73 73 TRP H H 73 6.924 6.924 7.430 -0.506 19367 6613 1 15 . 1 1 74 74 LEU N N 74 118.760 118.760 121.430 -2.670 19367 6614 1 15 . 1 1 74 74 LEU HA H 74 2.960 2.960 3.357 -0.397 19367 6615 1 15 . 1 1 74 74 LEU CA C 74 57.105 57.105 56.858 0.247 19367 6616 1 15 . 1 1 74 74 LEU CB C 74 41.503 41.503 41.387 0.116 19367 6617 1 15 . 1 1 74 74 LEU H H 74 7.903 7.903 7.642 0.261 19367 6618 1 15 . 1 1 75 75 TYR N N 75 119.616 119.616 118.754 0.862 19367 6619 1 15 . 1 1 75 75 TYR HA H 75 2.928 2.928 3.721 -0.793 19367 6620 1 15 . 1 1 75 75 TYR CA C 75 60.187 60.187 61.428 -1.241 19367 6621 1 15 . 1 1 75 75 TYR CB C 75 37.987 37.987 38.013 -0.026 19367 6622 1 15 . 1 1 75 75 TYR H H 75 8.717 8.717 8.126 0.591 19367 6623 1 15 . 1 1 76 76 ARG N N 76 116.789 116.789 118.757 -1.968 19367 6624 1 15 . 1 1 76 76 ARG HA H 76 3.634 3.634 4.041 -0.407 19367 6625 1 15 . 1 1 76 76 ARG CA C 76 56.003 56.003 58.316 -2.313 19367 6626 1 15 . 1 1 76 76 ARG CB C 76 27.476 27.476 29.282 -1.806 19367 6627 1 15 . 1 1 76 76 ARG H H 76 6.809 6.809 7.458 -0.649 19367 6628 1 15 . 1 1 77 77 ILE N N 77 117.721 117.721 119.252 -1.531 19367 6629 1 15 . 1 1 77 77 ILE HA H 77 2.853 2.853 3.551 -0.698 19367 6630 1 15 . 1 1 77 77 ILE CA C 77 65.599 65.599 64.492 1.107 19367 6631 1 15 . 1 1 77 77 ILE CB C 77 36.937 36.937 37.373 -0.436 19367 6632 1 15 . 1 1 77 77 ILE H H 77 7.316 7.316 7.128 0.188 19367 6633 1 15 . 1 1 78 78 ALA N N 78 125.528 125.528 123.084 2.444 19367 6634 1 15 . 1 1 78 78 ALA HA H 78 3.369 3.369 3.820 -0.451 19367 6635 1 15 . 1 1 78 78 ALA CA C 78 55.876 55.876 54.967 0.909 19367 6636 1 15 . 1 1 78 78 ALA CB C 78 17.833 17.833 18.066 -0.233 19367 6637 1 15 . 1 1 78 78 ALA H H 78 8.788 8.788 7.945 0.843 19367 6638 1 15 . 1 1 79 79 VAL N N 79 117.392 117.392 117.915 -0.523 19367 6639 1 15 . 1 1 79 79 VAL HA H 79 2.819 2.819 3.485 -0.666 19367 6640 1 15 . 1 1 79 79 VAL CA C 79 67.174 67.174 64.860 2.314 19367 6641 1 15 . 1 1 79 79 VAL CB C 79 31.642 31.642 31.426 0.216 19367 6642 1 15 . 1 1 79 79 VAL H H 79 8.046 8.046 7.615 0.431 19367 6643 1 15 . 1 1 80 80 ASN N N 80 117.152 117.152 117.525 -0.373 19367 6644 1 15 . 1 1 80 80 ASN HA H 80 4.368 4.368 4.520 -0.152 19367 6645 1 15 . 1 1 80 80 ASN CA C 80 55.630 55.630 55.523 0.107 19367 6646 1 15 . 1 1 80 80 ASN CB C 80 36.752 36.752 38.059 -1.307 19367 6647 1 15 . 1 1 80 80 ASN H H 80 8.146 8.146 7.751 0.395 19367 6648 1 15 . 1 1 81 81 THR N N 81 119.140 119.140 117.136 2.004 19367 6649 1 15 . 1 1 81 81 THR HA H 81 3.795 3.795 4.156 -0.361 19367 6650 1 15 . 1 1 81 81 THR CA C 81 67.441 67.441 66.075 1.366 19367 6651 1 15 . 1 1 81 81 THR CB C 81 68.102 68.102 68.710 -0.609 19367 6652 1 15 . 1 1 81 81 THR H H 81 8.320 8.320 7.911 0.409 19367 6653 1 15 . 1 1 82 82 ALA N N 82 124.957 124.957 124.001 0.956 19367 6654 1 15 . 1 1 82 82 ALA HA H 82 3.789 3.789 4.032 -0.243 19367 6655 1 15 . 1 1 82 82 ALA CA C 82 55.415 55.415 54.767 0.648 19367 6656 1 15 . 1 1 82 82 ALA CB C 82 18.020 18.020 18.252 -0.232 19367 6657 1 15 . 1 1 82 82 ALA H H 82 8.037 8.037 7.781 0.256 19367 6658 1 15 . 1 1 83 83 LYS N N 83 116.190 116.190 116.259 -0.069 19367 6659 1 15 . 1 1 83 83 LYS HA H 83 3.815 3.815 4.018 -0.203 19367 6660 1 15 . 1 1 83 83 LYS CA C 83 60.160 60.160 58.899 1.261 19367 6661 1 15 . 1 1 83 83 LYS CB C 83 32.312 32.312 32.314 -0.002 19367 6662 1 15 . 1 1 83 83 LYS H H 83 8.314 8.314 7.953 0.361 19367 6663 1 15 . 1 1 84 84 ASN N N 84 117.083 117.083 117.859 -0.776 19367 6664 1 15 . 1 1 84 84 ASN HA H 84 4.486 4.486 4.509 -0.023 19367 6665 1 15 . 1 1 84 84 ASN CA C 84 55.213 55.213 54.863 0.350 19367 6666 1 15 . 1 1 84 84 ASN CB C 84 38.461 38.461 38.444 0.017 19367 6667 1 15 . 1 1 84 84 ASN H H 84 8.004 8.004 7.608 0.396 19367 6668 1 15 . 1 1 85 85 TYR N N 85 122.935 122.935 120.771 2.164 19367 6669 1 15 . 1 1 85 85 TYR HA H 85 4.147 4.147 4.323 -0.176 19367 6670 1 15 . 1 1 85 85 TYR CA C 85 61.408 61.408 61.112 0.296 19367 6671 1 15 . 1 1 85 85 TYR CB C 85 38.428 38.428 38.772 -0.344 19367 6672 1 15 . 1 1 85 85 TYR H H 85 7.935 7.935 7.589 0.346 19367 6673 1 15 . 1 1 86 86 LEU N N 86 119.119 119.119 117.703 1.416 19367 6674 1 15 . 1 1 86 86 LEU HA H 86 3.998 3.998 4.019 -0.021 19367 6675 1 15 . 1 1 86 86 LEU CA C 86 57.647 57.647 56.947 0.701 19367 6676 1 15 . 1 1 86 86 LEU CB C 86 41.906 41.906 42.011 -0.105 19367 6677 1 15 . 1 1 86 86 LEU H H 86 7.810 7.810 7.570 0.240 19367 6678 1 15 . 1 1 87 87 VAL N N 87 118.991 118.991 113.815 5.176 19367 6679 1 15 . 1 1 87 87 VAL HA H 87 3.806 3.806 4.070 -0.264 19367 6680 1 15 . 1 1 87 87 VAL CA C 87 64.989 64.989 63.628 1.361 19367 6681 1 15 . 1 1 87 87 VAL CB C 87 32.126 32.126 30.970 1.156 19367 6682 1 15 . 1 1 87 87 VAL H H 87 7.701 7.701 7.185 0.516 19367 6683 1 15 . 1 1 88 88 ALA N N 88 123.643 123.643 122.461 1.182 19367 6684 1 15 . 1 1 88 88 ALA HA H 88 4.088 4.088 4.227 -0.139 19367 6685 1 15 . 1 1 88 88 ALA CA C 88 54.188 54.188 54.041 0.147 19367 6686 1 15 . 1 1 88 88 ALA CB C 88 18.460 18.460 18.880 -0.420 19367 6687 1 15 . 1 1 88 88 ALA H H 88 7.978 7.978 7.330 0.648 19367 6688 1 15 . 1 1 89 89 GLN N N 89 116.659 116.659 115.766 0.893 19367 6689 1 15 . 1 1 89 89 GLN HA H 89 4.024 4.024 4.423 -0.399 19367 6690 1 15 . 1 1 89 89 GLN CA C 89 56.818 56.818 55.819 0.999 19367 6691 1 15 . 1 1 89 89 GLN CB C 89 28.776 28.776 29.354 -0.578 19367 6692 1 15 . 1 1 89 89 GLN H H 89 7.974 7.974 7.426 0.548 19367 6693 1 15 . 1 1 90 90 GLY N N 90 107.464 107.464 107.040 0.424 19367 6694 1 15 . 1 1 90 90 GLY CA C 90 45.782 45.782 45.129 0.653 19367 6695 1 15 . 1 1 90 90 GLY H H 90 7.967 7.967 7.905 0.062 19367 6696 1 15 . 1 1 91 91 ARG N N 91 119.736 119.736 116.719 3.017 19367 6697 1 15 . 1 1 91 91 ARG HA H 91 4.299 4.299 4.584 -0.285 19367 6698 1 15 . 1 1 91 91 ARG CA C 91 56.216 56.216 55.225 0.991 19367 6699 1 15 . 1 1 91 91 ARG CB C 91 30.805 30.805 32.396 -1.591 19367 6700 1 15 . 1 1 91 91 ARG H H 91 7.824 7.824 7.312 0.512 19367 6701 1 15 . 1 1 92 92 ARG N N 92 120.592 120.592 121.904 -1.312 19367 6702 1 15 . 1 1 92 92 ARG HA H 92 4.270 4.270 4.492 -0.222 19367 6703 1 15 . 1 1 92 92 ARG CA C 92 56.451 56.451 55.553 0.898 19367 6704 1 15 . 1 1 92 92 ARG CB C 92 30.658 30.658 32.084 -1.426 19367 6705 1 15 . 1 1 92 92 ARG H H 92 8.038 8.038 8.585 -0.547 19367 6706 1 15 . 1 1 93 93 LEU N N 93 122.274 122.274 120.352 1.922 19367 6707 1 15 . 1 1 93 93 LEU HA H 93 4.258 4.258 3.937 0.321 19367 6708 1 15 . 1 1 93 93 LEU CA C 93 55.463 55.463 55.897 -0.434 19367 6709 1 15 . 1 1 93 93 LEU CB C 93 42.203 42.203 40.713 1.490 19367 6710 1 15 . 1 1 93 93 LEU H H 93 8.147 8.147 8.921 -0.774 19367 6711 1 15 . 1 1 94 94 GLU N N 94 120.794 120.794 119.002 1.792 19367 6712 1 15 . 1 1 94 94 GLU HA H 94 4.249 4.249 4.430 -0.181 19367 6713 1 15 . 1 1 94 94 GLU CA C 94 56.557 56.557 55.183 1.374 19367 6714 1 15 . 1 1 94 94 GLU CB C 94 30.103 30.103 32.185 -2.082 19367 6715 1 15 . 1 1 94 94 GLU H H 94 8.241 8.241 7.586 0.655 19367 6716 1 15 . 1 1 95 95 LEU N N 95 122.290 122.290 121.519 0.771 19367 6717 1 15 . 1 1 95 95 LEU HA H 95 4.312 4.312 3.988 0.324 19367 6718 1 15 . 1 1 95 95 LEU CA C 95 55.080 55.080 55.424 -0.344 19367 6719 1 15 . 1 1 95 95 LEU CB C 95 42.130 42.130 40.724 1.406 19367 6720 1 15 . 1 1 95 95 LEU H H 95 8.068 8.068 8.554 -0.486 19367 6721 1 16 . 1 1 4 4 GLN N N 4 121.848 121.848 119.587 2.261 19367 6722 1 16 . 1 1 4 4 GLN HA H 4 4.307 4.307 4.380 -0.073 19367 6723 1 16 . 1 1 4 4 GLN CA C 4 55.724 55.724 56.408 -0.684 19367 6724 1 16 . 1 1 4 4 GLN CB C 4 29.297 29.297 29.239 0.058 19367 6725 1 16 . 1 1 4 4 GLN H H 4 8.500 8.500 8.511 -0.012 19367 6726 1 16 . 1 1 5 5 LEU N N 5 124.347 124.347 122.988 1.359 19367 6727 1 16 . 1 1 5 5 LEU HA H 5 4.548 4.548 4.539 0.009 19367 6728 1 16 . 1 1 5 5 LEU CA C 5 53.785 53.785 53.212 0.573 19367 6729 1 16 . 1 1 5 5 LEU CB C 5 41.886 41.886 39.900 1.986 19367 6730 1 16 . 1 1 5 5 LEU H H 5 8.565 8.565 7.990 0.575 19367 6731 1 16 . 1 1 6 6 THR N N 6 114.442 114.442 112.316 2.126 19367 6732 1 16 . 1 1 6 6 THR HA H 6 4.353 4.353 4.203 0.150 19367 6733 1 16 . 1 1 6 6 THR CA C 6 61.195 61.195 62.078 -0.883 19367 6734 1 16 . 1 1 6 6 THR CB C 6 70.541 70.541 70.299 0.242 19367 6735 1 16 . 1 1 6 6 THR H H 6 7.950 7.950 7.507 0.443 19367 6736 1 16 . 1 1 7 7 ASP N N 7 120.959 120.959 119.042 1.917 19367 6737 1 16 . 1 1 7 7 ASP HA H 7 4.197 4.197 4.281 -0.084 19367 6738 1 16 . 1 1 7 7 ASP CA C 7 57.820 57.820 56.979 0.841 19367 6739 1 16 . 1 1 7 7 ASP CB C 7 39.621 39.621 40.099 -0.478 19367 6740 1 16 . 1 1 7 7 ASP H H 7 9.008 9.008 9.050 -0.042 19367 6741 1 16 . 1 1 8 8 GLN N N 8 116.649 116.649 119.686 -3.037 19367 6742 1 16 . 1 1 8 8 GLN HA H 8 4.012 4.012 4.235 -0.223 19367 6743 1 16 . 1 1 8 8 GLN CA C 8 59.746 59.746 58.297 1.449 19367 6744 1 16 . 1 1 8 8 GLN CB C 8 28.188 28.188 28.964 -0.776 19367 6745 1 16 . 1 1 8 8 GLN H H 8 8.561 8.561 7.541 1.020 19367 6746 1 16 . 1 1 9 9 VAL N N 9 120.579 120.579 119.492 1.087 19367 6747 1 16 . 1 1 9 9 VAL HA H 9 3.760 3.760 4.091 -0.331 19367 6748 1 16 . 1 1 9 9 VAL CA C 9 66.108 66.108 64.184 1.924 19367 6749 1 16 . 1 1 9 9 VAL CB C 9 31.558 31.558 31.860 -0.301 19367 6750 1 16 . 1 1 9 9 VAL H H 9 7.450 7.450 7.525 -0.075 19367 6751 1 16 . 1 1 10 10 LEU N N 10 119.806 119.806 120.907 -1.101 19367 6752 1 16 . 1 1 10 10 LEU HA H 10 3.917 3.917 4.199 -0.282 19367 6753 1 16 . 1 1 10 10 LEU CA C 10 58.415 58.415 57.619 0.796 19367 6754 1 16 . 1 1 10 10 LEU CB C 10 41.299 41.299 41.890 -0.591 19367 6755 1 16 . 1 1 10 10 LEU H H 10 7.865 7.865 7.868 -0.003 19367 6756 1 16 . 1 1 11 11 VAL N N 11 119.041 119.041 118.458 0.583 19367 6757 1 16 . 1 1 11 11 VAL HA H 11 3.280 3.280 3.589 -0.309 19367 6758 1 16 . 1 1 11 11 VAL CA C 11 67.631 67.631 66.668 0.963 19367 6759 1 16 . 1 1 11 11 VAL CB C 11 31.723 31.723 31.695 0.028 19367 6760 1 16 . 1 1 11 11 VAL H H 11 8.734 8.734 7.542 1.192 19367 6761 1 16 . 1 1 12 12 GLU N N 12 119.018 119.018 118.703 0.315 19367 6762 1 16 . 1 1 12 12 GLU HA H 12 4.110 4.110 4.070 0.040 19367 6763 1 16 . 1 1 12 12 GLU CA C 12 59.514 59.514 58.691 0.824 19367 6764 1 16 . 1 1 12 12 GLU CB C 12 28.603 28.603 28.958 -0.355 19367 6765 1 16 . 1 1 12 12 GLU H H 12 7.802 7.802 7.689 0.113 19367 6766 1 16 . 1 1 13 13 ARG N N 13 117.242 117.242 120.016 -2.774 19367 6767 1 16 . 1 1 13 13 ARG HA H 13 4.011 4.011 4.155 -0.144 19367 6768 1 16 . 1 1 13 13 ARG CA C 13 60.016 60.016 58.971 1.045 19367 6769 1 16 . 1 1 13 13 ARG CB C 13 27.737 27.737 30.245 -2.508 19367 6770 1 16 . 1 1 13 13 ARG H H 13 8.107 8.107 7.527 0.580 19367 6771 1 16 . 1 1 14 14 VAL N N 14 121.430 121.430 119.237 2.193 19367 6772 1 16 . 1 1 14 14 VAL HA H 14 3.767 3.767 4.140 -0.373 19367 6773 1 16 . 1 1 14 14 VAL CA C 14 66.462 66.462 65.694 0.769 19367 6774 1 16 . 1 1 14 14 VAL CB C 14 31.616 31.616 31.933 -0.317 19367 6775 1 16 . 1 1 14 14 VAL H H 14 8.435 8.435 7.507 0.928 19367 6776 1 16 . 1 1 15 15 GLN N N 15 120.667 120.667 119.277 1.390 19367 6777 1 16 . 1 1 15 15 GLN HA H 15 4.088 4.088 4.111 -0.023 19367 6778 1 16 . 1 1 15 15 GLN CA C 15 58.628 58.628 58.179 0.449 19367 6779 1 16 . 1 1 15 15 GLN CB C 15 27.995 27.995 28.545 -0.550 19367 6780 1 16 . 1 1 15 15 GLN H H 15 8.670 8.670 7.605 1.065 19367 6781 1 16 . 1 1 16 16 LYS N N 16 116.797 116.797 117.491 -0.694 19367 6782 1 16 . 1 1 16 16 LYS HA H 16 4.374 4.374 4.311 0.063 19367 6783 1 16 . 1 1 16 16 LYS CA C 16 56.278 56.278 56.070 0.208 19367 6784 1 16 . 1 1 16 16 LYS CB C 16 32.299 32.299 32.089 0.210 19367 6785 1 16 . 1 1 16 16 LYS H H 16 7.700 7.700 7.469 0.231 19367 6786 1 16 . 1 1 17 17 GLY N N 17 107.001 107.001 108.100 -1.099 19367 6787 1 16 . 1 1 17 17 GLY CA C 17 45.608 45.608 44.961 0.647 19367 6788 1 16 . 1 1 17 17 GLY H H 17 7.927 7.927 7.759 0.168 19367 6789 1 16 . 1 1 18 18 ASP N N 18 121.666 121.666 121.798 -0.132 19367 6790 1 16 . 1 1 18 18 ASP HA H 18 4.769 4.769 4.746 0.023 19367 6791 1 16 . 1 1 18 18 ASP CA C 18 52.999 52.999 53.697 -0.698 19367 6792 1 16 . 1 1 18 18 ASP CB C 18 40.814 40.814 41.260 -0.446 19367 6793 1 16 . 1 1 18 18 ASP H H 18 8.255 8.255 7.625 0.630 19367 6794 1 16 . 1 1 19 19 GLN N N 19 124.874 124.874 125.641 -0.767 19367 6795 1 16 . 1 1 19 19 GLN HA H 19 4.150 4.150 4.362 -0.212 19367 6796 1 16 . 1 1 19 19 GLN CA C 19 58.922 58.922 58.056 0.866 19367 6797 1 16 . 1 1 19 19 GLN CB C 19 28.759 28.759 29.035 -0.276 19367 6798 1 16 . 1 1 19 19 GLN H H 19 8.392 8.392 8.654 -0.262 19367 6799 1 16 . 1 1 20 20 LYS N N 20 119.006 119.006 119.149 -0.143 19367 6800 1 16 . 1 1 20 20 LYS HA H 20 4.118 4.118 4.181 -0.063 19367 6801 1 16 . 1 1 20 20 LYS CA C 20 58.642 58.642 58.072 0.570 19367 6802 1 16 . 1 1 20 20 LYS CB C 20 31.678 31.678 32.083 -0.405 19367 6803 1 16 . 1 1 20 20 LYS H H 20 8.348 8.348 8.072 0.276 19367 6804 1 16 . 1 1 21 21 ALA N N 21 121.687 121.687 121.730 -0.043 19367 6805 1 16 . 1 1 21 21 ALA HA H 21 4.010 4.010 4.173 -0.163 19367 6806 1 16 . 1 1 21 21 ALA CA C 21 54.485 54.485 54.758 -0.273 19367 6807 1 16 . 1 1 21 21 ALA CB C 21 18.634 18.634 18.184 0.450 19367 6808 1 16 . 1 1 21 21 ALA H H 21 7.500 7.500 8.295 -0.795 19367 6809 1 16 . 1 1 22 22 PHE N N 22 117.219 117.219 118.741 -1.522 19367 6810 1 16 . 1 1 22 22 PHE HA H 22 3.994 3.994 4.264 -0.270 19367 6811 1 16 . 1 1 22 22 PHE CA C 22 61.907 61.907 60.728 1.179 19367 6812 1 16 . 1 1 22 22 PHE CB C 22 38.571 38.571 39.631 -1.060 19367 6813 1 16 . 1 1 22 22 PHE H H 22 7.810 7.810 7.765 0.045 19367 6814 1 16 . 1 1 23 23 ASN N N 23 115.600 115.600 119.009 -3.409 19367 6815 1 16 . 1 1 23 23 ASN HA H 23 4.163 4.163 4.355 -0.192 19367 6816 1 16 . 1 1 23 23 ASN CA C 23 56.264 56.264 56.403 -0.139 19367 6817 1 16 . 1 1 23 23 ASN CB C 23 38.131 38.131 38.465 -0.334 19367 6818 1 16 . 1 1 23 23 ASN H H 23 7.711 7.711 7.794 -0.083 19367 6819 1 16 . 1 1 24 24 LEU N N 24 117.605 117.605 119.336 -1.731 19367 6820 1 16 . 1 1 24 24 LEU HA H 24 3.999 3.999 4.166 -0.167 19367 6821 1 16 . 1 1 24 24 LEU CA C 24 57.811 57.811 57.083 0.728 19367 6822 1 16 . 1 1 24 24 LEU CB C 24 41.367 41.367 41.033 0.334 19367 6823 1 16 . 1 1 24 24 LEU H H 24 7.344 7.344 7.641 -0.297 19367 6824 1 16 . 1 1 25 25 LEU N N 25 120.426 120.426 120.785 -0.359 19367 6825 1 16 . 1 1 25 25 LEU HA H 25 3.938 3.938 4.038 -0.100 19367 6826 1 16 . 1 1 25 25 LEU CA C 25 57.863 57.863 57.212 0.651 19367 6827 1 16 . 1 1 25 25 LEU CB C 25 41.479 41.479 41.636 -0.157 19367 6828 1 16 . 1 1 25 25 LEU H H 25 7.036 7.036 7.296 -0.260 19367 6829 1 16 . 1 1 26 26 VAL N N 26 119.676 119.676 119.395 0.281 19367 6830 1 16 . 1 1 26 26 VAL HA H 26 2.857 2.857 2.644 0.213 19367 6831 1 16 . 1 1 26 26 VAL CA C 26 65.821 65.821 66.637 -0.816 19367 6832 1 16 . 1 1 26 26 VAL CB C 26 30.816 30.816 31.134 -0.318 19367 6833 1 16 . 1 1 26 26 VAL H H 26 7.369 7.369 7.666 -0.297 19367 6834 1 16 . 1 1 27 27 VAL N N 27 117.098 117.098 117.239 -0.141 19367 6835 1 16 . 1 1 27 27 VAL HA H 27 3.542 3.542 3.532 0.010 19367 6836 1 16 . 1 1 27 27 VAL CA C 27 65.837 65.837 65.603 0.234 19367 6837 1 16 . 1 1 27 27 VAL CB C 27 31.728 31.728 31.388 0.340 19367 6838 1 16 . 1 1 27 27 VAL H H 27 7.816 7.816 7.292 0.524 19367 6839 1 16 . 1 1 28 28 ARG N N 28 118.592 118.592 119.670 -1.078 19367 6840 1 16 . 1 1 28 28 ARG HA H 28 3.838 3.838 4.003 -0.165 19367 6841 1 16 . 1 1 28 28 ARG CA C 28 59.356 59.356 58.625 0.731 19367 6842 1 16 . 1 1 28 28 ARG CB C 28 31.069 31.069 30.300 0.769 19367 6843 1 16 . 1 1 28 28 ARG H H 28 7.491 7.491 7.412 0.079 19367 6844 1 16 . 1 1 29 29 TYR N N 29 112.635 112.635 115.912 -3.277 19367 6845 1 16 . 1 1 29 29 TYR HA H 29 4.945 4.945 4.822 0.123 19367 6846 1 16 . 1 1 29 29 TYR CA C 29 60.438 60.438 58.018 2.420 19367 6847 1 16 . 1 1 29 29 TYR CB C 29 40.619 40.619 39.195 1.424 19367 6848 1 16 . 1 1 29 29 TYR H H 29 7.675 7.675 7.535 0.141 19367 6849 1 16 . 1 1 30 30 GLN N N 30 123.043 123.043 121.706 1.337 19367 6850 1 16 . 1 1 30 30 GLN HA H 30 4.119 4.119 4.330 -0.211 19367 6851 1 16 . 1 1 30 30 GLN CA C 30 61.409 61.409 59.928 1.481 19367 6852 1 16 . 1 1 30 30 GLN CB C 30 26.933 26.933 28.649 -1.716 19367 6853 1 16 . 1 1 30 30 GLN H H 30 9.056 9.056 8.105 0.951 19367 6854 1 16 . 1 1 31 31 HIS N N 31 118.704 118.704 114.444 4.260 19367 6855 1 16 . 1 1 31 31 HIS HA H 31 4.435 4.435 4.616 -0.181 19367 6856 1 16 . 1 1 31 31 HIS CA C 31 59.580 59.580 57.963 1.617 19367 6857 1 16 . 1 1 31 31 HIS CB C 31 29.396 29.396 29.585 -0.189 19367 6858 1 16 . 1 1 31 31 HIS H H 31 8.616 8.616 8.859 -0.243 19367 6859 1 16 . 1 1 32 32 LYS N N 32 122.594 122.594 119.900 2.694 19367 6860 1 16 . 1 1 32 32 LYS HA H 32 4.029 4.029 4.095 -0.066 19367 6861 1 16 . 1 1 32 32 LYS CA C 32 59.869 59.869 58.128 1.741 19367 6862 1 16 . 1 1 32 32 LYS CB C 32 32.580 32.580 32.596 -0.016 19367 6863 1 16 . 1 1 32 32 LYS H H 32 7.848 7.848 7.026 0.822 19367 6864 1 16 . 1 1 33 33 VAL N N 33 119.621 119.621 119.346 0.275 19367 6865 1 16 . 1 1 33 33 VAL HA H 33 3.480 3.480 3.827 -0.347 19367 6866 1 16 . 1 1 33 33 VAL CA C 33 66.671 66.671 64.199 2.472 19367 6867 1 16 . 1 1 33 33 VAL CB C 33 31.142 31.142 31.995 -0.853 19367 6868 1 16 . 1 1 33 33 VAL H H 33 8.653 8.653 8.627 0.026 19367 6869 1 16 . 1 1 34 34 ALA N N 34 122.622 122.622 121.340 1.282 19367 6870 1 16 . 1 1 34 34 ALA HA H 34 3.736 3.736 4.081 -0.345 19367 6871 1 16 . 1 1 34 34 ALA CA C 34 55.762 55.762 55.135 0.627 19367 6872 1 16 . 1 1 34 34 ALA CB C 34 17.681 17.681 17.999 -0.318 19367 6873 1 16 . 1 1 34 34 ALA H H 34 8.498 8.498 7.710 0.788 19367 6874 1 16 . 1 1 35 35 SER N N 35 113.674 113.674 113.835 -0.161 19367 6875 1 16 . 1 1 35 35 SER HA H 35 4.040 4.040 4.316 -0.277 19367 6876 1 16 . 1 1 35 35 SER CA C 35 61.765 61.765 60.730 1.035 19367 6877 1 16 . 1 1 35 35 SER CB C 35 62.766 62.766 63.095 -0.329 19367 6878 1 16 . 1 1 35 35 SER H H 35 7.897 7.897 7.625 0.272 19367 6879 1 16 . 1 1 36 36 LEU N N 36 123.203 123.203 120.562 2.641 19367 6880 1 16 . 1 1 36 36 LEU HA H 36 3.992 3.992 4.272 -0.280 19367 6881 1 16 . 1 1 36 36 LEU CA C 36 57.863 57.863 57.347 0.516 19367 6882 1 16 . 1 1 36 36 LEU CB C 36 42.718 42.718 42.396 0.322 19367 6883 1 16 . 1 1 36 36 LEU H H 36 7.494 7.494 7.272 0.222 19367 6884 1 16 . 1 1 37 37 VAL N N 37 114.122 114.122 115.873 -1.751 19367 6885 1 16 . 1 1 37 37 VAL HA H 37 3.627 3.627 4.077 -0.450 19367 6886 1 16 . 1 1 37 37 VAL CA C 37 65.879 65.879 64.915 0.964 19367 6887 1 16 . 1 1 37 37 VAL CB C 37 31.214 31.214 31.028 0.186 19367 6888 1 16 . 1 1 37 37 VAL H H 37 8.530 8.530 8.204 0.326 19367 6889 1 16 . 1 1 38 38 SER N N 38 116.259 116.259 115.537 0.722 19367 6890 1 16 . 1 1 38 38 SER HA H 38 4.276 4.276 4.301 -0.025 19367 6891 1 16 . 1 1 38 38 SER CA C 38 60.898 60.898 59.982 0.916 19367 6892 1 16 . 1 1 38 38 SER CB C 38 63.143 63.143 62.721 0.423 19367 6893 1 16 . 1 1 38 38 SER H H 38 8.136 8.136 7.616 0.520 19367 6894 1 16 . 1 1 39 39 ARG N N 39 119.029 119.029 118.404 0.625 19367 6895 1 16 . 1 1 39 39 ARG HA H 39 3.995 3.995 3.945 0.050 19367 6896 1 16 . 1 1 39 39 ARG CA C 39 57.640 57.640 57.578 0.062 19367 6897 1 16 . 1 1 39 39 ARG CB C 39 29.719 29.719 30.111 -0.392 19367 6898 1 16 . 1 1 39 39 ARG H H 39 7.310 7.310 7.247 0.063 19367 6899 1 16 . 1 1 40 40 TYR N N 40 114.123 114.123 115.164 -1.041 19367 6900 1 16 . 1 1 40 40 TYR HA H 40 4.472 4.472 4.685 -0.213 19367 6901 1 16 . 1 1 40 40 TYR CA C 40 59.298 59.298 57.720 1.578 19367 6902 1 16 . 1 1 40 40 TYR CB C 40 42.809 42.809 40.902 1.907 19367 6903 1 16 . 1 1 40 40 TYR H H 40 7.786 7.786 7.722 0.064 19367 6904 1 16 . 1 1 41 41 VAL N N 41 112.721 112.721 114.105 -1.384 19367 6905 1 16 . 1 1 41 41 VAL HA H 41 4.853 4.853 4.719 0.134 19367 6906 1 16 . 1 1 41 41 VAL CA C 41 57.942 57.942 58.300 -0.358 19367 6907 1 16 . 1 1 41 41 VAL CB C 41 33.171 33.171 33.184 -0.013 19367 6908 1 16 . 1 1 41 41 VAL H H 41 7.388 7.388 7.715 -0.327 19367 6909 1 16 . 1 1 42 42 PRO HA H 42 4.415 4.415 4.610 -0.195 19367 6910 1 16 . 1 1 42 42 PRO CA C 42 62.645 62.645 63.282 -0.638 19367 6911 1 16 . 1 1 42 42 PRO CB C 42 32.603 32.603 32.590 0.013 19367 6912 1 16 . 1 1 43 43 SER N N 43 116.784 116.784 116.402 0.382 19367 6913 1 16 . 1 1 43 43 SER HA H 43 4.009 4.009 4.203 -0.194 19367 6914 1 16 . 1 1 43 43 SER CA C 43 62.098 62.098 60.101 1.997 19367 6915 1 16 . 1 1 43 43 SER CB C 43 62.862 62.862 62.970 -0.108 19367 6916 1 16 . 1 1 43 43 SER H H 43 8.602 8.602 8.566 0.036 19367 6917 1 16 . 1 1 44 44 GLY N N 44 107.756 107.756 107.982 -0.226 19367 6918 1 16 . 1 1 44 44 GLY CA C 44 46.503 46.503 45.654 0.849 19367 6919 1 16 . 1 1 44 44 GLY H H 44 8.812 8.812 8.241 0.571 19367 6920 1 16 . 1 1 45 45 ASP N N 45 117.822 117.822 120.357 -2.535 19367 6921 1 16 . 1 1 45 45 ASP HA H 45 4.875 4.875 4.814 0.061 19367 6922 1 16 . 1 1 45 45 ASP CA C 45 54.770 54.770 54.199 0.571 19367 6923 1 16 . 1 1 45 45 ASP CB C 45 42.593 42.593 42.381 0.212 19367 6924 1 16 . 1 1 45 45 ASP H H 45 7.764 7.764 8.020 -0.256 19367 6925 1 16 . 1 1 46 46 VAL N N 46 119.385 119.385 121.843 -2.458 19367 6926 1 16 . 1 1 46 46 VAL HA H 46 3.233 3.233 3.753 -0.520 19367 6927 1 16 . 1 1 46 46 VAL CA C 46 68.546 68.546 68.445 0.101 19367 6928 1 16 . 1 1 46 46 VAL CB C 46 29.851 29.851 29.436 0.415 19367 6929 1 16 . 1 1 46 46 VAL H H 46 7.148 7.148 7.558 -0.410 19367 6930 1 16 . 1 1 47 47 PRO HA H 47 4.113 4.113 4.277 -0.164 19367 6931 1 16 . 1 1 47 47 PRO CA C 47 66.527 66.527 66.015 0.512 19367 6932 1 16 . 1 1 47 47 PRO CB C 47 28.496 28.496 31.354 -2.858 19367 6933 1 16 . 1 1 48 48 ASP N N 48 116.654 116.654 118.155 -1.501 19367 6934 1 16 . 1 1 48 48 ASP HA H 48 4.384 4.384 4.539 -0.155 19367 6935 1 16 . 1 1 48 48 ASP CA C 48 57.268 57.268 56.465 0.803 19367 6936 1 16 . 1 1 48 48 ASP CB C 48 40.657 40.657 40.847 -0.190 19367 6937 1 16 . 1 1 48 48 ASP H H 48 7.473 7.473 7.625 -0.152 19367 6938 1 16 . 1 1 49 49 VAL N N 49 121.848 121.848 120.074 1.774 19367 6939 1 16 . 1 1 49 49 VAL HA H 49 3.364 3.364 3.696 -0.332 19367 6940 1 16 . 1 1 49 49 VAL CA C 49 66.354 66.354 65.527 0.827 19367 6941 1 16 . 1 1 49 49 VAL CB C 49 30.961 30.961 31.807 -0.846 19367 6942 1 16 . 1 1 49 49 VAL H H 49 7.600 7.600 7.564 0.036 19367 6943 1 16 . 1 1 50 50 VAL N N 50 119.961 119.961 120.013 -0.052 19367 6944 1 16 . 1 1 50 50 VAL HA H 50 3.176 3.176 3.557 -0.381 19367 6945 1 16 . 1 1 50 50 VAL CA C 50 67.270 67.270 66.755 0.515 19367 6946 1 16 . 1 1 50 50 VAL CB C 50 31.662 31.662 31.654 0.008 19367 6947 1 16 . 1 1 50 50 VAL H H 50 8.567 8.567 8.457 0.110 19367 6948 1 16 . 1 1 51 51 GLN N N 51 116.203 116.203 118.734 -2.531 19367 6949 1 16 . 1 1 51 51 GLN HA H 51 4.204 4.204 4.238 -0.034 19367 6950 1 16 . 1 1 51 51 GLN CA C 51 59.334 59.334 58.972 0.362 19367 6951 1 16 . 1 1 51 51 GLN CB C 51 28.717 28.717 28.223 0.494 19367 6952 1 16 . 1 1 51 51 GLN H H 51 7.802 7.802 7.817 -0.015 19367 6953 1 16 . 1 1 52 52 GLU N N 52 119.616 119.616 120.446 -0.830 19367 6954 1 16 . 1 1 52 52 GLU HA H 52 4.085 4.085 4.067 0.018 19367 6955 1 16 . 1 1 52 52 GLU CA C 52 59.267 59.267 58.589 0.678 19367 6956 1 16 . 1 1 52 52 GLU CB C 52 29.178 29.178 29.461 -0.283 19367 6957 1 16 . 1 1 52 52 GLU H H 52 7.880 7.880 7.765 0.115 19367 6958 1 16 . 1 1 53 53 ALA N N 53 120.964 120.964 121.452 -0.488 19367 6959 1 16 . 1 1 53 53 ALA HA H 53 3.713 3.713 4.100 -0.387 19367 6960 1 16 . 1 1 53 53 ALA CA C 53 55.176 55.176 54.288 0.888 19367 6961 1 16 . 1 1 53 53 ALA CB C 53 16.573 16.573 18.286 -1.713 19367 6962 1 16 . 1 1 53 53 ALA H H 53 8.381 8.381 7.397 0.984 19367 6963 1 16 . 1 1 54 54 PHE N N 54 113.370 113.370 117.948 -4.578 19367 6964 1 16 . 1 1 54 54 PHE HA H 54 4.329 4.329 4.574 -0.245 19367 6965 1 16 . 1 1 54 54 PHE CA C 54 63.496 63.496 60.925 2.571 19367 6966 1 16 . 1 1 54 54 PHE CB C 54 39.097 39.097 39.328 -0.231 19367 6967 1 16 . 1 1 54 54 PHE H H 54 7.942 7.942 7.655 0.287 19367 6968 1 16 . 1 1 55 55 ILE N N 55 121.983 121.983 120.205 1.778 19367 6969 1 16 . 1 1 55 55 ILE HA H 55 3.946 3.946 3.901 0.045 19367 6970 1 16 . 1 1 55 55 ILE CA C 55 64.969 64.969 64.095 0.874 19367 6971 1 16 . 1 1 55 55 ILE CB C 55 37.589 37.589 37.705 -0.116 19367 6972 1 16 . 1 1 55 55 ILE H H 55 8.373 8.373 8.485 -0.112 19367 6973 1 16 . 1 1 56 56 LYS N N 56 120.661 120.661 120.555 0.106 19367 6974 1 16 . 1 1 56 56 LYS HA H 56 3.860 3.860 4.161 -0.301 19367 6975 1 16 . 1 1 56 56 LYS CA C 56 59.835 59.835 58.377 1.458 19367 6976 1 16 . 1 1 56 56 LYS CB C 56 31.904 31.904 31.939 -0.035 19367 6977 1 16 . 1 1 56 56 LYS H H 56 8.318 8.318 7.800 0.518 19367 6978 1 16 . 1 1 57 57 ALA N N 57 119.884 119.884 122.001 -2.117 19367 6979 1 16 . 1 1 57 57 ALA HA H 57 3.784 3.784 4.229 -0.445 19367 6980 1 16 . 1 1 57 57 ALA CA C 57 54.552 54.552 54.642 -0.090 19367 6981 1 16 . 1 1 57 57 ALA CB C 57 18.251 18.251 18.490 -0.239 19367 6982 1 16 . 1 1 57 57 ALA H H 57 7.937 7.937 7.541 0.396 19367 6983 1 16 . 1 1 58 58 TYR N N 58 116.541 116.541 119.905 -3.364 19367 6984 1 16 . 1 1 58 58 TYR HA H 58 3.549 3.549 3.673 -0.124 19367 6985 1 16 . 1 1 58 58 TYR CA C 58 61.528 61.528 61.271 0.257 19367 6986 1 16 . 1 1 58 58 TYR CB C 58 37.885 37.885 38.467 -0.582 19367 6987 1 16 . 1 1 58 58 TYR H H 58 8.404 8.404 8.218 0.186 19367 6988 1 16 . 1 1 59 59 ARG N N 59 116.321 116.321 116.416 -0.095 19367 6989 1 16 . 1 1 59 59 ARG HA H 59 3.791 3.791 4.121 -0.330 19367 6990 1 16 . 1 1 59 59 ARG CA C 59 58.500 58.500 57.260 1.240 19367 6991 1 16 . 1 1 59 59 ARG CB C 59 30.268 30.268 30.388 -0.120 19367 6992 1 16 . 1 1 59 59 ARG H H 59 8.404 8.404 7.719 0.685 19367 6993 1 16 . 1 1 60 60 ALA N N 60 118.867 118.867 120.055 -1.188 19367 6994 1 16 . 1 1 60 60 ALA HA H 60 4.879 4.879 4.605 0.274 19367 6995 1 16 . 1 1 60 60 ALA CA C 60 51.372 51.372 52.367 -0.995 19367 6996 1 16 . 1 1 60 60 ALA CB C 60 20.539 20.539 19.717 0.822 19367 6997 1 16 . 1 1 60 60 ALA H H 60 7.630 7.630 7.294 0.336 19367 6998 1 16 . 1 1 61 61 LEU N N 61 124.902 124.902 120.921 3.981 19367 6999 1 16 . 1 1 61 61 LEU HA H 61 4.094 4.094 4.122 -0.028 19367 7000 1 16 . 1 1 61 61 LEU CA C 61 58.442 58.442 57.376 1.067 19367 7001 1 16 . 1 1 61 61 LEU CB C 61 42.290 42.290 42.151 0.139 19367 7002 1 16 . 1 1 61 61 LEU H H 61 7.598 7.598 8.226 -0.628 19367 7003 1 16 . 1 1 62 62 ASP N N 62 117.094 117.094 117.541 -0.447 19367 7004 1 16 . 1 1 62 62 ASP HA H 62 4.345 4.345 4.496 -0.151 19367 7005 1 16 . 1 1 62 62 ASP CA C 62 56.690 56.690 55.691 0.999 19367 7006 1 16 . 1 1 62 62 ASP CB C 62 39.812 39.812 40.692 -0.880 19367 7007 1 16 . 1 1 62 62 ASP H H 62 8.686 8.686 8.799 -0.113 19367 7008 1 16 . 1 1 63 63 SER N N 63 112.854 112.854 113.438 -0.584 19367 7009 1 16 . 1 1 63 63 SER HA H 63 4.554 4.554 4.550 0.004 19367 7010 1 16 . 1 1 63 63 SER CA C 63 58.052 58.052 57.810 0.242 19367 7011 1 16 . 1 1 63 63 SER CB C 63 64.719 64.719 63.971 0.748 19367 7012 1 16 . 1 1 63 63 SER H H 63 7.969 7.969 7.546 0.423 19367 7013 1 16 . 1 1 64 64 PHE N N 64 125.623 125.623 123.699 1.924 19367 7014 1 16 . 1 1 64 64 PHE HA H 64 4.238 4.238 3.959 0.279 19367 7015 1 16 . 1 1 64 64 PHE CA C 64 56.826 56.826 58.542 -1.716 19367 7016 1 16 . 1 1 64 64 PHE CB C 64 38.210 38.210 39.412 -1.202 19367 7017 1 16 . 1 1 64 64 PHE H H 64 7.383 7.383 7.374 0.009 19367 7018 1 16 . 1 1 65 65 ARG N N 65 133.273 133.273 125.023 8.250 19367 7019 1 16 . 1 1 65 65 ARG HA H 65 3.861 3.861 4.088 -0.227 19367 7020 1 16 . 1 1 65 65 ARG CA C 65 57.826 57.826 55.368 2.458 19367 7021 1 16 . 1 1 65 65 ARG CB C 65 31.054 31.054 30.485 0.570 19367 7022 1 16 . 1 1 65 65 ARG H H 65 10.968 10.968 7.829 3.139 19367 7023 1 16 . 1 1 66 66 GLY N N 66 103.283 103.283 107.882 -4.599 19367 7024 1 16 . 1 1 66 66 GLY CA C 66 46.309 46.309 44.854 1.455 19367 7025 1 16 . 1 1 66 66 GLY H H 66 5.673 5.673 6.234 -0.561 19367 7026 1 16 . 1 1 67 67 ASP N N 67 120.001 120.001 118.507 1.494 19367 7027 1 16 . 1 1 67 67 ASP HA H 67 4.551 4.551 4.467 0.084 19367 7028 1 16 . 1 1 67 67 ASP CA C 67 55.488 55.488 54.962 0.526 19367 7029 1 16 . 1 1 67 67 ASP CB C 67 40.655 40.655 41.056 -0.401 19367 7030 1 16 . 1 1 67 67 ASP H H 67 7.960 7.960 8.221 -0.261 19367 7031 1 16 . 1 1 68 68 SER N N 68 110.787 110.787 111.948 -1.161 19367 7032 1 16 . 1 1 68 68 SER HA H 68 4.633 4.633 4.652 -0.019 19367 7033 1 16 . 1 1 68 68 SER CA C 68 56.762 56.762 57.189 -0.427 19367 7034 1 16 . 1 1 68 68 SER CB C 68 67.439 67.439 64.586 2.853 19367 7035 1 16 . 1 1 68 68 SER H H 68 7.692 7.692 7.380 0.312 19367 7036 1 16 . 1 1 69 69 ALA N N 69 122.464 122.464 123.765 -1.301 19367 7037 1 16 . 1 1 69 69 ALA HA H 69 4.692 4.692 4.436 0.256 19367 7038 1 16 . 1 1 69 69 ALA CA C 69 52.674 52.674 52.599 0.075 19367 7039 1 16 . 1 1 69 69 ALA CB C 69 18.751 18.751 19.657 -0.906 19367 7040 1 16 . 1 1 69 69 ALA H H 69 9.726 9.726 8.708 1.018 19367 7041 1 16 . 1 1 70 70 PHE N N 70 127.188 127.188 122.411 4.777 19367 7042 1 16 . 1 1 70 70 PHE HA H 70 4.085 4.085 4.193 -0.108 19367 7043 1 16 . 1 1 70 70 PHE CA C 70 62.108 62.108 61.389 0.719 19367 7044 1 16 . 1 1 70 70 PHE CB C 70 39.054 39.054 39.762 -0.708 19367 7045 1 16 . 1 1 70 70 PHE H H 70 9.774 9.774 8.990 0.784 19367 7046 1 16 . 1 1 71 71 TYR N N 71 117.533 117.533 118.159 -0.626 19367 7047 1 16 . 1 1 71 71 TYR HA H 71 3.449 3.449 3.921 -0.472 19367 7048 1 16 . 1 1 71 71 TYR CA C 71 61.684 61.684 60.995 0.689 19367 7049 1 16 . 1 1 71 71 TYR CB C 71 37.072 37.072 37.792 -0.720 19367 7050 1 16 . 1 1 71 71 TYR H H 71 9.720 9.720 8.756 0.964 19367 7051 1 16 . 1 1 72 72 THR N N 72 114.574 114.574 117.485 -2.911 19367 7052 1 16 . 1 1 72 72 THR HA H 72 5.436 5.436 3.900 1.536 19367 7053 1 16 . 1 1 72 72 THR CA C 72 63.426 63.426 67.164 -3.738 19367 7054 1 16 . 1 1 72 72 THR CB C 72 68.762 68.762 68.363 0.399 19367 7055 1 16 . 1 1 72 72 THR H H 72 6.675 6.675 7.749 -1.074 19367 7056 1 16 . 1 1 73 73 TRP N N 73 123.561 123.561 122.762 0.799 19367 7057 1 16 . 1 1 73 73 TRP HA H 73 3.956 3.956 4.545 -0.589 19367 7058 1 16 . 1 1 73 73 TRP CA C 73 62.112 62.112 60.622 1.490 19367 7059 1 16 . 1 1 73 73 TRP CB C 73 28.971 28.971 29.604 -0.633 19367 7060 1 16 . 1 1 73 73 TRP H H 73 6.924 6.924 7.563 -0.639 19367 7061 1 16 . 1 1 74 74 LEU N N 74 118.760 118.760 121.285 -2.525 19367 7062 1 16 . 1 1 74 74 LEU HA H 74 2.960 2.960 3.342 -0.382 19367 7063 1 16 . 1 1 74 74 LEU CA C 74 57.105 57.105 56.842 0.263 19367 7064 1 16 . 1 1 74 74 LEU CB C 74 41.503 41.503 41.403 0.100 19367 7065 1 16 . 1 1 74 74 LEU H H 74 7.903 7.903 7.652 0.251 19367 7066 1 16 . 1 1 75 75 TYR N N 75 119.616 119.616 118.574 1.042 19367 7067 1 16 . 1 1 75 75 TYR HA H 75 2.928 2.928 3.734 -0.806 19367 7068 1 16 . 1 1 75 75 TYR CA C 75 60.187 60.187 61.183 -0.996 19367 7069 1 16 . 1 1 75 75 TYR CB C 75 37.987 37.987 38.050 -0.063 19367 7070 1 16 . 1 1 75 75 TYR H H 75 8.717 8.717 8.132 0.585 19367 7071 1 16 . 1 1 76 76 ARG N N 76 116.789 116.789 117.366 -0.577 19367 7072 1 16 . 1 1 76 76 ARG HA H 76 3.634 3.634 4.048 -0.414 19367 7073 1 16 . 1 1 76 76 ARG CA C 76 56.003 56.003 57.868 -1.865 19367 7074 1 16 . 1 1 76 76 ARG CB C 76 27.476 27.476 29.577 -2.101 19367 7075 1 16 . 1 1 76 76 ARG H H 76 6.809 6.809 7.462 -0.653 19367 7076 1 16 . 1 1 77 77 ILE N N 77 117.721 117.721 119.490 -1.769 19367 7077 1 16 . 1 1 77 77 ILE HA H 77 2.853 2.853 3.604 -0.751 19367 7078 1 16 . 1 1 77 77 ILE CA C 77 65.599 65.599 64.554 1.045 19367 7079 1 16 . 1 1 77 77 ILE CB C 77 36.937 36.937 37.144 -0.207 19367 7080 1 16 . 1 1 77 77 ILE H H 77 7.316 7.316 7.113 0.203 19367 7081 1 16 . 1 1 78 78 ALA N N 78 125.528 125.528 123.018 2.510 19367 7082 1 16 . 1 1 78 78 ALA HA H 78 3.369 3.369 3.841 -0.472 19367 7083 1 16 . 1 1 78 78 ALA CA C 78 55.876 55.876 54.952 0.924 19367 7084 1 16 . 1 1 78 78 ALA CB C 78 17.833 17.833 18.142 -0.309 19367 7085 1 16 . 1 1 78 78 ALA H H 78 8.788 8.788 7.800 0.988 19367 7086 1 16 . 1 1 79 79 VAL N N 79 117.392 117.392 117.649 -0.257 19367 7087 1 16 . 1 1 79 79 VAL HA H 79 2.819 2.819 3.550 -0.731 19367 7088 1 16 . 1 1 79 79 VAL CA C 79 67.174 67.174 64.741 2.433 19367 7089 1 16 . 1 1 79 79 VAL CB C 79 31.642 31.642 31.463 0.179 19367 7090 1 16 . 1 1 79 79 VAL H H 79 8.046 8.046 7.635 0.411 19367 7091 1 16 . 1 1 80 80 ASN N N 80 117.152 117.152 117.805 -0.653 19367 7092 1 16 . 1 1 80 80 ASN HA H 80 4.368 4.368 4.558 -0.190 19367 7093 1 16 . 1 1 80 80 ASN CA C 80 55.630 55.630 55.458 0.172 19367 7094 1 16 . 1 1 80 80 ASN CB C 80 36.752 36.752 38.327 -1.575 19367 7095 1 16 . 1 1 80 80 ASN H H 80 8.146 8.146 7.747 0.399 19367 7096 1 16 . 1 1 81 81 THR N N 81 119.140 119.140 117.574 1.566 19367 7097 1 16 . 1 1 81 81 THR HA H 81 3.795 3.795 4.120 -0.325 19367 7098 1 16 . 1 1 81 81 THR CA C 81 67.441 67.441 66.157 1.284 19367 7099 1 16 . 1 1 81 81 THR CB C 81 68.102 68.102 68.935 -0.833 19367 7100 1 16 . 1 1 81 81 THR H H 81 8.320 8.320 7.982 0.338 19367 7101 1 16 . 1 1 82 82 ALA N N 82 124.957 124.957 123.348 1.609 19367 7102 1 16 . 1 1 82 82 ALA HA H 82 3.789 3.789 4.109 -0.320 19367 7103 1 16 . 1 1 82 82 ALA CA C 82 55.415 55.415 54.861 0.554 19367 7104 1 16 . 1 1 82 82 ALA CB C 82 18.020 18.020 18.384 -0.364 19367 7105 1 16 . 1 1 82 82 ALA H H 82 8.037 8.037 7.881 0.156 19367 7106 1 16 . 1 1 83 83 LYS N N 83 116.190 116.190 117.284 -1.094 19367 7107 1 16 . 1 1 83 83 LYS HA H 83 3.815 3.815 4.043 -0.228 19367 7108 1 16 . 1 1 83 83 LYS CA C 83 60.160 60.160 58.840 1.320 19367 7109 1 16 . 1 1 83 83 LYS CB C 83 32.312 32.312 32.556 -0.244 19367 7110 1 16 . 1 1 83 83 LYS H H 83 8.314 8.314 7.859 0.455 19367 7111 1 16 . 1 1 84 84 ASN N N 84 117.083 117.083 117.488 -0.405 19367 7112 1 16 . 1 1 84 84 ASN HA H 84 4.486 4.486 4.485 0.001 19367 7113 1 16 . 1 1 84 84 ASN CA C 84 55.213 55.213 54.745 0.468 19367 7114 1 16 . 1 1 84 84 ASN CB C 84 38.461 38.461 38.419 0.042 19367 7115 1 16 . 1 1 84 84 ASN H H 84 8.004 8.004 7.644 0.360 19367 7116 1 16 . 1 1 85 85 TYR N N 85 122.935 122.935 121.354 1.581 19367 7117 1 16 . 1 1 85 85 TYR HA H 85 4.147 4.147 4.227 -0.080 19367 7118 1 16 . 1 1 85 85 TYR CA C 85 61.408 61.408 61.387 0.021 19367 7119 1 16 . 1 1 85 85 TYR CB C 85 38.428 38.428 38.568 -0.140 19367 7120 1 16 . 1 1 85 85 TYR H H 85 7.935 7.935 7.549 0.386 19367 7121 1 16 . 1 1 86 86 LEU N N 86 119.119 119.119 117.326 1.793 19367 7122 1 16 . 1 1 86 86 LEU HA H 86 3.998 3.998 3.898 0.100 19367 7123 1 16 . 1 1 86 86 LEU CA C 86 57.647 57.647 57.011 0.636 19367 7124 1 16 . 1 1 86 86 LEU CB C 86 41.906 41.906 41.703 0.203 19367 7125 1 16 . 1 1 86 86 LEU H H 86 7.810 7.810 7.447 0.363 19367 7126 1 16 . 1 1 87 87 VAL N N 87 118.991 118.991 116.826 2.165 19367 7127 1 16 . 1 1 87 87 VAL HA H 87 3.806 3.806 3.872 -0.066 19367 7128 1 16 . 1 1 87 87 VAL CA C 87 64.989 64.989 62.705 2.284 19367 7129 1 16 . 1 1 87 87 VAL CB C 87 32.126 32.126 32.019 0.107 19367 7130 1 16 . 1 1 87 87 VAL H H 87 7.701 7.701 7.308 0.393 19367 7131 1 16 . 1 1 88 88 ALA N N 88 123.643 123.643 122.920 0.723 19367 7132 1 16 . 1 1 88 88 ALA HA H 88 4.088 4.088 4.182 -0.094 19367 7133 1 16 . 1 1 88 88 ALA CA C 88 54.188 54.188 54.749 -0.561 19367 7134 1 16 . 1 1 88 88 ALA CB C 88 18.460 18.460 19.083 -0.623 19367 7135 1 16 . 1 1 88 88 ALA H H 88 7.978 7.978 7.415 0.563 19367 7136 1 16 . 1 1 89 89 GLN N N 89 116.659 116.659 115.498 1.161 19367 7137 1 16 . 1 1 89 89 GLN HA H 89 4.024 4.024 4.401 -0.377 19367 7138 1 16 . 1 1 89 89 GLN CA C 89 56.818 56.818 55.903 0.915 19367 7139 1 16 . 1 1 89 89 GLN CB C 89 28.776 28.776 28.864 -0.088 19367 7140 1 16 . 1 1 89 89 GLN H H 89 7.974 7.974 7.660 0.314 19367 7141 1 16 . 1 1 90 90 GLY N N 90 107.464 107.464 107.778 -0.314 19367 7142 1 16 . 1 1 90 90 GLY CA C 90 45.782 45.782 45.368 0.414 19367 7143 1 16 . 1 1 90 90 GLY H H 90 7.967 7.967 7.959 0.008 19367 7144 1 16 . 1 1 91 91 ARG N N 91 119.736 119.736 116.004 3.732 19367 7145 1 16 . 1 1 91 91 ARG HA H 91 4.299 4.299 4.672 -0.373 19367 7146 1 16 . 1 1 91 91 ARG CA C 91 56.216 56.216 56.380 -0.165 19367 7147 1 16 . 1 1 91 91 ARG CB C 91 30.805 30.805 30.669 0.136 19367 7148 1 16 . 1 1 91 91 ARG H H 91 7.824 7.824 7.560 0.264 19367 7149 1 16 . 1 1 92 92 ARG N N 92 120.592 120.592 118.953 1.639 19367 7150 1 16 . 1 1 92 92 ARG HA H 92 4.270 4.270 4.351 -0.081 19367 7151 1 16 . 1 1 92 92 ARG CA C 92 56.451 56.451 57.066 -0.614 19367 7152 1 16 . 1 1 92 92 ARG CB C 92 30.658 30.658 30.838 -0.180 19367 7153 1 16 . 1 1 92 92 ARG H H 92 8.038 8.038 8.021 0.017 19367 7154 1 16 . 1 1 93 93 LEU N N 93 122.274 122.274 120.378 1.896 19367 7155 1 16 . 1 1 93 93 LEU HA H 93 4.258 4.258 4.448 -0.190 19367 7156 1 16 . 1 1 93 93 LEU CA C 93 55.463 55.463 54.242 1.221 19367 7157 1 16 . 1 1 93 93 LEU CB C 93 42.203 42.203 42.110 0.093 19367 7158 1 16 . 1 1 93 93 LEU H H 93 8.147 8.147 7.944 0.203 19367 7159 1 16 . 1 1 94 94 GLU N N 94 120.794 120.794 119.449 1.345 19367 7160 1 16 . 1 1 94 94 GLU HA H 94 4.249 4.249 4.133 0.116 19367 7161 1 16 . 1 1 94 94 GLU CA C 94 56.557 56.557 56.701 -0.144 19367 7162 1 16 . 1 1 94 94 GLU CB C 94 30.103 30.103 30.272 -0.169 19367 7163 1 16 . 1 1 94 94 GLU H H 94 8.241 8.241 7.705 0.536 19367 7164 1 16 . 1 1 95 95 LEU N N 95 122.290 122.290 122.233 0.057 19367 7165 1 16 . 1 1 95 95 LEU HA H 95 4.312 4.312 4.507 -0.195 19367 7166 1 16 . 1 1 95 95 LEU CA C 95 55.080 55.080 56.039 -0.959 19367 7167 1 16 . 1 1 95 95 LEU CB C 95 42.130 42.130 43.153 -1.023 19367 7168 1 16 . 1 1 95 95 LEU H H 95 8.068 8.068 8.651 -0.583 19367 7169 1 17 . 1 1 4 4 GLN N N 4 121.848 121.848 116.306 5.542 19367 7170 1 17 . 1 1 4 4 GLN HA H 4 4.307 4.307 4.132 0.175 19367 7171 1 17 . 1 1 4 4 GLN CA C 4 55.724 55.724 56.622 -0.898 19367 7172 1 17 . 1 1 4 4 GLN CB C 4 29.297 29.297 28.457 0.840 19367 7173 1 17 . 1 1 4 4 GLN H H 4 8.500 8.500 7.873 0.627 19367 7174 1 17 . 1 1 5 5 LEU N N 5 124.347 124.347 120.867 3.480 19367 7175 1 17 . 1 1 5 5 LEU HA H 5 4.548 4.548 4.707 -0.159 19367 7176 1 17 . 1 1 5 5 LEU CA C 5 53.785 53.785 54.040 -0.255 19367 7177 1 17 . 1 1 5 5 LEU CB C 5 41.886 41.886 40.008 1.878 19367 7178 1 17 . 1 1 5 5 LEU H H 5 8.565 8.565 8.501 0.064 19367 7179 1 17 . 1 1 6 6 THR N N 6 114.442 114.442 112.254 2.188 19367 7180 1 17 . 1 1 6 6 THR HA H 6 4.353 4.353 4.230 0.123 19367 7181 1 17 . 1 1 6 6 THR CA C 6 61.195 61.195 61.696 -0.501 19367 7182 1 17 . 1 1 6 6 THR CB C 6 70.541 70.541 70.086 0.455 19367 7183 1 17 . 1 1 6 6 THR H H 6 7.950 7.950 7.324 0.626 19367 7184 1 17 . 1 1 7 7 ASP N N 7 120.959 120.959 119.100 1.859 19367 7185 1 17 . 1 1 7 7 ASP HA H 7 4.197 4.197 4.346 -0.149 19367 7186 1 17 . 1 1 7 7 ASP CA C 7 57.820 57.820 57.553 0.267 19367 7187 1 17 . 1 1 7 7 ASP CB C 7 39.621 39.621 40.414 -0.793 19367 7188 1 17 . 1 1 7 7 ASP H H 7 9.008 9.008 8.993 0.015 19367 7189 1 17 . 1 1 8 8 GLN N N 8 116.649 116.649 118.208 -1.559 19367 7190 1 17 . 1 1 8 8 GLN HA H 8 4.012 4.012 4.139 -0.127 19367 7191 1 17 . 1 1 8 8 GLN CA C 8 59.746 59.746 58.536 1.210 19367 7192 1 17 . 1 1 8 8 GLN CB C 8 28.188 28.188 28.943 -0.755 19367 7193 1 17 . 1 1 8 8 GLN H H 8 8.561 8.561 7.668 0.893 19367 7194 1 17 . 1 1 9 9 VAL N N 9 120.579 120.579 116.850 3.729 19367 7195 1 17 . 1 1 9 9 VAL HA H 9 3.760 3.760 4.322 -0.562 19367 7196 1 17 . 1 1 9 9 VAL CA C 9 66.108 66.108 64.144 1.964 19367 7197 1 17 . 1 1 9 9 VAL CB C 9 31.558 31.558 31.495 0.063 19367 7198 1 17 . 1 1 9 9 VAL H H 9 7.450 7.450 7.544 -0.094 19367 7199 1 17 . 1 1 10 10 LEU N N 10 119.806 119.806 122.019 -2.213 19367 7200 1 17 . 1 1 10 10 LEU HA H 10 3.917 3.917 4.192 -0.275 19367 7201 1 17 . 1 1 10 10 LEU CA C 10 58.415 58.415 57.681 0.734 19367 7202 1 17 . 1 1 10 10 LEU CB C 10 41.299 41.299 41.895 -0.596 19367 7203 1 17 . 1 1 10 10 LEU H H 10 7.865 7.865 7.419 0.446 19367 7204 1 17 . 1 1 11 11 VAL N N 11 119.041 119.041 118.692 0.349 19367 7205 1 17 . 1 1 11 11 VAL HA H 11 3.280 3.280 3.448 -0.168 19367 7206 1 17 . 1 1 11 11 VAL CA C 11 67.631 67.631 66.517 1.114 19367 7207 1 17 . 1 1 11 11 VAL CB C 11 31.723 31.723 31.357 0.366 19367 7208 1 17 . 1 1 11 11 VAL H H 11 8.734 8.734 7.998 0.736 19367 7209 1 17 . 1 1 12 12 GLU N N 12 119.018 119.018 118.956 0.062 19367 7210 1 17 . 1 1 12 12 GLU HA H 12 4.110 4.110 4.055 0.055 19367 7211 1 17 . 1 1 12 12 GLU CA C 12 59.514 59.514 58.826 0.688 19367 7212 1 17 . 1 1 12 12 GLU CB C 12 28.603 28.603 29.281 -0.678 19367 7213 1 17 . 1 1 12 12 GLU H H 12 7.802 7.802 7.567 0.235 19367 7214 1 17 . 1 1 13 13 ARG N N 13 117.242 117.242 119.965 -2.723 19367 7215 1 17 . 1 1 13 13 ARG HA H 13 4.011 4.011 4.134 -0.123 19367 7216 1 17 . 1 1 13 13 ARG CA C 13 60.016 60.016 59.068 0.948 19367 7217 1 17 . 1 1 13 13 ARG CB C 13 27.737 27.737 30.201 -2.464 19367 7218 1 17 . 1 1 13 13 ARG H H 13 8.107 8.107 7.790 0.317 19367 7219 1 17 . 1 1 14 14 VAL N N 14 121.430 121.430 119.183 2.247 19367 7220 1 17 . 1 1 14 14 VAL HA H 14 3.767 3.767 4.134 -0.367 19367 7221 1 17 . 1 1 14 14 VAL CA C 14 66.462 66.462 65.562 0.900 19367 7222 1 17 . 1 1 14 14 VAL CB C 14 31.616 31.616 31.982 -0.366 19367 7223 1 17 . 1 1 14 14 VAL H H 14 8.435 8.435 7.520 0.915 19367 7224 1 17 . 1 1 15 15 GLN N N 15 120.667 120.667 119.060 1.607 19367 7225 1 17 . 1 1 15 15 GLN HA H 15 4.088 4.088 4.095 -0.007 19367 7226 1 17 . 1 1 15 15 GLN CA C 15 58.628 58.628 58.157 0.471 19367 7227 1 17 . 1 1 15 15 GLN CB C 15 27.995 27.995 28.422 -0.427 19367 7228 1 17 . 1 1 15 15 GLN H H 15 8.670 8.670 7.680 0.990 19367 7229 1 17 . 1 1 16 16 LYS N N 16 116.797 116.797 117.296 -0.499 19367 7230 1 17 . 1 1 16 16 LYS HA H 16 4.374 4.374 4.294 0.080 19367 7231 1 17 . 1 1 16 16 LYS CA C 16 56.278 56.278 56.026 0.252 19367 7232 1 17 . 1 1 16 16 LYS CB C 16 32.299 32.299 32.554 -0.255 19367 7233 1 17 . 1 1 16 16 LYS H H 16 7.700 7.700 7.543 0.157 19367 7234 1 17 . 1 1 17 17 GLY N N 17 107.001 107.001 107.933 -0.932 19367 7235 1 17 . 1 1 17 17 GLY CA C 17 45.608 45.608 45.084 0.524 19367 7236 1 17 . 1 1 17 17 GLY H H 17 7.927 7.927 7.736 0.191 19367 7237 1 17 . 1 1 18 18 ASP N N 18 121.666 121.666 121.672 -0.006 19367 7238 1 17 . 1 1 18 18 ASP HA H 18 4.769 4.769 4.697 0.072 19367 7239 1 17 . 1 1 18 18 ASP CA C 18 52.999 52.999 53.950 -0.951 19367 7240 1 17 . 1 1 18 18 ASP CB C 18 40.814 40.814 41.557 -0.743 19367 7241 1 17 . 1 1 18 18 ASP H H 18 8.255 8.255 7.595 0.660 19367 7242 1 17 . 1 1 19 19 GLN N N 19 124.874 124.874 126.142 -1.268 19367 7243 1 17 . 1 1 19 19 GLN HA H 19 4.150 4.150 4.343 -0.193 19367 7244 1 17 . 1 1 19 19 GLN CA C 19 58.922 58.922 58.051 0.871 19367 7245 1 17 . 1 1 19 19 GLN CB C 19 28.759 28.759 28.976 -0.216 19367 7246 1 17 . 1 1 19 19 GLN H H 19 8.392 8.392 8.781 -0.389 19367 7247 1 17 . 1 1 20 20 LYS N N 20 119.006 119.006 119.315 -0.309 19367 7248 1 17 . 1 1 20 20 LYS HA H 20 4.118 4.118 4.203 -0.085 19367 7249 1 17 . 1 1 20 20 LYS CA C 20 58.642 58.642 58.002 0.640 19367 7250 1 17 . 1 1 20 20 LYS CB C 20 31.678 31.678 32.172 -0.494 19367 7251 1 17 . 1 1 20 20 LYS H H 20 8.348 8.348 8.351 -0.003 19367 7252 1 17 . 1 1 21 21 ALA N N 21 121.687 121.687 121.903 -0.216 19367 7253 1 17 . 1 1 21 21 ALA HA H 21 4.010 4.010 4.178 -0.168 19367 7254 1 17 . 1 1 21 21 ALA CA C 21 54.485 54.485 54.807 -0.322 19367 7255 1 17 . 1 1 21 21 ALA CB C 21 18.634 18.634 18.210 0.424 19367 7256 1 17 . 1 1 21 21 ALA H H 21 7.500 7.500 8.329 -0.829 19367 7257 1 17 . 1 1 22 22 PHE N N 22 117.219 117.219 118.626 -1.407 19367 7258 1 17 . 1 1 22 22 PHE HA H 22 3.994 3.994 4.276 -0.282 19367 7259 1 17 . 1 1 22 22 PHE CA C 22 61.907 61.907 60.707 1.200 19367 7260 1 17 . 1 1 22 22 PHE CB C 22 38.571 38.571 39.608 -1.037 19367 7261 1 17 . 1 1 22 22 PHE H H 22 7.810 7.810 7.819 -0.009 19367 7262 1 17 . 1 1 23 23 ASN N N 23 115.600 115.600 119.075 -3.475 19367 7263 1 17 . 1 1 23 23 ASN HA H 23 4.163 4.163 4.333 -0.170 19367 7264 1 17 . 1 1 23 23 ASN CA C 23 56.264 56.264 56.462 -0.198 19367 7265 1 17 . 1 1 23 23 ASN CB C 23 38.131 38.131 38.458 -0.327 19367 7266 1 17 . 1 1 23 23 ASN H H 23 7.711 7.711 7.704 0.007 19367 7267 1 17 . 1 1 24 24 LEU N N 24 117.605 117.605 119.527 -1.922 19367 7268 1 17 . 1 1 24 24 LEU HA H 24 3.999 3.999 4.123 -0.124 19367 7269 1 17 . 1 1 24 24 LEU CA C 24 57.811 57.811 57.297 0.514 19367 7270 1 17 . 1 1 24 24 LEU CB C 24 41.367 41.367 41.034 0.333 19367 7271 1 17 . 1 1 24 24 LEU H H 24 7.344 7.344 7.635 -0.291 19367 7272 1 17 . 1 1 25 25 LEU N N 25 120.426 120.426 120.914 -0.488 19367 7273 1 17 . 1 1 25 25 LEU HA H 25 3.938 3.938 4.142 -0.204 19367 7274 1 17 . 1 1 25 25 LEU CA C 25 57.863 57.863 57.136 0.727 19367 7275 1 17 . 1 1 25 25 LEU CB C 25 41.479 41.479 41.580 -0.101 19367 7276 1 17 . 1 1 25 25 LEU H H 25 7.036 7.036 7.253 -0.217 19367 7277 1 17 . 1 1 26 26 VAL N N 26 119.676 119.676 119.318 0.358 19367 7278 1 17 . 1 1 26 26 VAL HA H 26 2.857 2.857 2.673 0.184 19367 7279 1 17 . 1 1 26 26 VAL CA C 26 65.821 65.821 66.360 -0.539 19367 7280 1 17 . 1 1 26 26 VAL CB C 26 30.816 30.816 30.921 -0.105 19367 7281 1 17 . 1 1 26 26 VAL H H 26 7.369 7.369 7.578 -0.209 19367 7282 1 17 . 1 1 27 27 VAL N N 27 117.098 117.098 117.246 -0.148 19367 7283 1 17 . 1 1 27 27 VAL HA H 27 3.542 3.542 3.622 -0.080 19367 7284 1 17 . 1 1 27 27 VAL CA C 27 65.837 65.837 65.176 0.661 19367 7285 1 17 . 1 1 27 27 VAL CB C 27 31.728 31.728 30.823 0.905 19367 7286 1 17 . 1 1 27 27 VAL H H 27 7.816 7.816 7.454 0.362 19367 7287 1 17 . 1 1 28 28 ARG N N 28 118.592 118.592 118.122 0.470 19367 7288 1 17 . 1 1 28 28 ARG HA H 28 3.838 3.838 4.058 -0.220 19367 7289 1 17 . 1 1 28 28 ARG CA C 28 59.356 59.356 58.520 0.836 19367 7290 1 17 . 1 1 28 28 ARG CB C 28 31.069 31.069 30.354 0.715 19367 7291 1 17 . 1 1 28 28 ARG H H 28 7.491 7.491 7.396 0.095 19367 7292 1 17 . 1 1 29 29 TYR N N 29 112.635 112.635 116.083 -3.448 19367 7293 1 17 . 1 1 29 29 TYR HA H 29 4.945 4.945 4.794 0.151 19367 7294 1 17 . 1 1 29 29 TYR CA C 29 60.438 60.438 57.876 2.562 19367 7295 1 17 . 1 1 29 29 TYR CB C 29 40.619 40.619 39.849 0.770 19367 7296 1 17 . 1 1 29 29 TYR H H 29 7.675 7.675 7.483 0.192 19367 7297 1 17 . 1 1 30 30 GLN N N 30 123.043 123.043 121.259 1.784 19367 7298 1 17 . 1 1 30 30 GLN HA H 30 4.119 4.119 4.318 -0.199 19367 7299 1 17 . 1 1 30 30 GLN CA C 30 61.409 61.409 59.651 1.758 19367 7300 1 17 . 1 1 30 30 GLN CB C 30 26.933 26.933 28.197 -1.264 19367 7301 1 17 . 1 1 30 30 GLN H H 30 9.056 9.056 8.359 0.697 19367 7302 1 17 . 1 1 31 31 HIS N N 31 118.704 118.704 115.718 2.986 19367 7303 1 17 . 1 1 31 31 HIS HA H 31 4.435 4.435 4.513 -0.078 19367 7304 1 17 . 1 1 31 31 HIS CA C 31 59.580 59.580 57.851 1.729 19367 7305 1 17 . 1 1 31 31 HIS CB C 31 29.396 29.396 29.424 -0.028 19367 7306 1 17 . 1 1 31 31 HIS H H 31 8.616 8.616 8.705 -0.089 19367 7307 1 17 . 1 1 32 32 LYS N N 32 122.594 122.594 120.901 1.693 19367 7308 1 17 . 1 1 32 32 LYS HA H 32 4.029 4.029 4.034 -0.005 19367 7309 1 17 . 1 1 32 32 LYS CA C 32 59.869 59.869 59.053 0.815 19367 7310 1 17 . 1 1 32 32 LYS CB C 32 32.580 32.580 32.099 0.481 19367 7311 1 17 . 1 1 32 32 LYS H H 32 7.848 7.848 6.894 0.954 19367 7312 1 17 . 1 1 33 33 VAL N N 33 119.621 119.621 119.245 0.376 19367 7313 1 17 . 1 1 33 33 VAL HA H 33 3.480 3.480 3.672 -0.192 19367 7314 1 17 . 1 1 33 33 VAL CA C 33 66.671 66.671 64.858 1.813 19367 7315 1 17 . 1 1 33 33 VAL CB C 33 31.142 31.142 31.503 -0.361 19367 7316 1 17 . 1 1 33 33 VAL H H 33 8.653 8.653 8.452 0.201 19367 7317 1 17 . 1 1 34 34 ALA N N 34 122.622 122.622 121.499 1.123 19367 7318 1 17 . 1 1 34 34 ALA HA H 34 3.736 3.736 4.042 -0.306 19367 7319 1 17 . 1 1 34 34 ALA CA C 34 55.762 55.762 54.844 0.917 19367 7320 1 17 . 1 1 34 34 ALA CB C 34 17.681 17.681 18.323 -0.642 19367 7321 1 17 . 1 1 34 34 ALA H H 34 8.498 8.498 7.728 0.770 19367 7322 1 17 . 1 1 35 35 SER N N 35 113.674 113.674 114.367 -0.693 19367 7323 1 17 . 1 1 35 35 SER HA H 35 4.040 4.040 4.253 -0.213 19367 7324 1 17 . 1 1 35 35 SER CA C 35 61.765 61.765 60.574 1.191 19367 7325 1 17 . 1 1 35 35 SER CB C 35 62.766 62.766 63.320 -0.554 19367 7326 1 17 . 1 1 35 35 SER H H 35 7.897 7.897 7.528 0.369 19367 7327 1 17 . 1 1 36 36 LEU N N 36 123.203 123.203 122.549 0.654 19367 7328 1 17 . 1 1 36 36 LEU HA H 36 3.992 3.992 4.202 -0.210 19367 7329 1 17 . 1 1 36 36 LEU CA C 36 57.863 57.863 57.380 0.483 19367 7330 1 17 . 1 1 36 36 LEU CB C 36 42.718 42.718 41.876 0.842 19367 7331 1 17 . 1 1 36 36 LEU H H 36 7.494 7.494 7.194 0.300 19367 7332 1 17 . 1 1 37 37 VAL N N 37 114.122 114.122 116.105 -1.983 19367 7333 1 17 . 1 1 37 37 VAL HA H 37 3.627 3.627 4.097 -0.470 19367 7334 1 17 . 1 1 37 37 VAL CA C 37 65.879 65.879 64.949 0.930 19367 7335 1 17 . 1 1 37 37 VAL CB C 37 31.214 31.214 31.121 0.093 19367 7336 1 17 . 1 1 37 37 VAL H H 37 8.530 8.530 8.328 0.202 19367 7337 1 17 . 1 1 38 38 SER N N 38 116.259 116.259 115.503 0.756 19367 7338 1 17 . 1 1 38 38 SER HA H 38 4.276 4.276 4.313 -0.037 19367 7339 1 17 . 1 1 38 38 SER CA C 38 60.898 60.898 59.986 0.912 19367 7340 1 17 . 1 1 38 38 SER CB C 38 63.143 63.143 62.675 0.468 19367 7341 1 17 . 1 1 38 38 SER H H 38 8.136 8.136 7.604 0.532 19367 7342 1 17 . 1 1 39 39 ARG N N 39 119.029 119.029 118.473 0.556 19367 7343 1 17 . 1 1 39 39 ARG HA H 39 3.995 3.995 3.948 0.047 19367 7344 1 17 . 1 1 39 39 ARG CA C 39 57.640 57.640 57.597 0.043 19367 7345 1 17 . 1 1 39 39 ARG CB C 39 29.719 29.719 30.102 -0.383 19367 7346 1 17 . 1 1 39 39 ARG H H 39 7.310 7.310 7.231 0.079 19367 7347 1 17 . 1 1 40 40 TYR N N 40 114.123 114.123 115.228 -1.105 19367 7348 1 17 . 1 1 40 40 TYR HA H 40 4.472 4.472 4.687 -0.215 19367 7349 1 17 . 1 1 40 40 TYR CA C 40 59.298 59.298 57.796 1.502 19367 7350 1 17 . 1 1 40 40 TYR CB C 40 42.809 42.809 40.965 1.844 19367 7351 1 17 . 1 1 40 40 TYR H H 40 7.786 7.786 7.738 0.048 19367 7352 1 17 . 1 1 41 41 VAL N N 41 112.721 112.721 114.165 -1.444 19367 7353 1 17 . 1 1 41 41 VAL HA H 41 4.853 4.853 4.718 0.135 19367 7354 1 17 . 1 1 41 41 VAL CA C 41 57.942 57.942 58.263 -0.321 19367 7355 1 17 . 1 1 41 41 VAL CB C 41 33.171 33.171 33.419 -0.248 19367 7356 1 17 . 1 1 41 41 VAL H H 41 7.388 7.388 7.877 -0.489 19367 7357 1 17 . 1 1 42 42 PRO HA H 42 4.415 4.415 4.724 -0.309 19367 7358 1 17 . 1 1 42 42 PRO CA C 42 62.645 62.645 62.665 -0.020 19367 7359 1 17 . 1 1 42 42 PRO CB C 42 32.603 32.603 32.749 -0.146 19367 7360 1 17 . 1 1 43 43 SER N N 43 116.784 116.784 116.573 0.211 19367 7361 1 17 . 1 1 43 43 SER HA H 43 4.009 4.009 4.164 -0.155 19367 7362 1 17 . 1 1 43 43 SER CA C 43 62.098 62.098 60.359 1.739 19367 7363 1 17 . 1 1 43 43 SER CB C 43 62.862 62.862 62.607 0.255 19367 7364 1 17 . 1 1 43 43 SER H H 43 8.602 8.602 8.563 0.039 19367 7365 1 17 . 1 1 44 44 GLY N N 44 107.756 107.756 109.049 -1.293 19367 7366 1 17 . 1 1 44 44 GLY CA C 44 46.503 46.503 45.682 0.821 19367 7367 1 17 . 1 1 44 44 GLY H H 44 8.812 8.812 8.218 0.594 19367 7368 1 17 . 1 1 45 45 ASP N N 45 117.822 117.822 119.790 -1.968 19367 7369 1 17 . 1 1 45 45 ASP HA H 45 4.875 4.875 4.798 0.077 19367 7370 1 17 . 1 1 45 45 ASP CA C 45 54.770 54.770 53.998 0.772 19367 7371 1 17 . 1 1 45 45 ASP CB C 45 42.593 42.593 42.235 0.358 19367 7372 1 17 . 1 1 45 45 ASP H H 45 7.764 7.764 7.996 -0.232 19367 7373 1 17 . 1 1 46 46 VAL N N 46 119.385 119.385 121.883 -2.498 19367 7374 1 17 . 1 1 46 46 VAL HA H 46 3.233 3.233 3.730 -0.497 19367 7375 1 17 . 1 1 46 46 VAL CA C 46 68.546 68.546 68.438 0.108 19367 7376 1 17 . 1 1 46 46 VAL CB C 46 29.851 29.851 29.441 0.410 19367 7377 1 17 . 1 1 46 46 VAL H H 46 7.148 7.148 7.502 -0.354 19367 7378 1 17 . 1 1 47 47 PRO HA H 47 4.113 4.113 4.270 -0.157 19367 7379 1 17 . 1 1 47 47 PRO CA C 47 66.527 66.527 65.898 0.629 19367 7380 1 17 . 1 1 47 47 PRO CB C 47 28.496 28.496 31.364 -2.868 19367 7381 1 17 . 1 1 48 48 ASP N N 48 116.654 116.654 118.385 -1.731 19367 7382 1 17 . 1 1 48 48 ASP HA H 48 4.384 4.384 4.537 -0.153 19367 7383 1 17 . 1 1 48 48 ASP CA C 48 57.268 57.268 56.454 0.814 19367 7384 1 17 . 1 1 48 48 ASP CB C 48 40.657 40.657 40.925 -0.268 19367 7385 1 17 . 1 1 48 48 ASP H H 48 7.473 7.473 7.574 -0.101 19367 7386 1 17 . 1 1 49 49 VAL N N 49 121.848 121.848 120.256 1.592 19367 7387 1 17 . 1 1 49 49 VAL HA H 49 3.364 3.364 3.707 -0.343 19367 7388 1 17 . 1 1 49 49 VAL CA C 49 66.354 66.354 65.656 0.698 19367 7389 1 17 . 1 1 49 49 VAL CB C 49 30.961 30.961 31.786 -0.825 19367 7390 1 17 . 1 1 49 49 VAL H H 49 7.600 7.600 7.709 -0.109 19367 7391 1 17 . 1 1 50 50 VAL N N 50 119.961 119.961 120.505 -0.544 19367 7392 1 17 . 1 1 50 50 VAL HA H 50 3.176 3.176 3.561 -0.385 19367 7393 1 17 . 1 1 50 50 VAL CA C 50 67.270 67.270 66.654 0.616 19367 7394 1 17 . 1 1 50 50 VAL CB C 50 31.662 31.662 31.668 -0.006 19367 7395 1 17 . 1 1 50 50 VAL H H 50 8.567 8.567 8.427 0.140 19367 7396 1 17 . 1 1 51 51 GLN N N 51 116.203 116.203 118.716 -2.513 19367 7397 1 17 . 1 1 51 51 GLN HA H 51 4.204 4.204 4.207 -0.003 19367 7398 1 17 . 1 1 51 51 GLN CA C 51 59.334 59.334 58.964 0.370 19367 7399 1 17 . 1 1 51 51 GLN CB C 51 28.717 28.717 28.230 0.487 19367 7400 1 17 . 1 1 51 51 GLN H H 51 7.802 7.802 7.813 -0.011 19367 7401 1 17 . 1 1 52 52 GLU N N 52 119.616 119.616 120.825 -1.209 19367 7402 1 17 . 1 1 52 52 GLU HA H 52 4.085 4.085 4.144 -0.059 19367 7403 1 17 . 1 1 52 52 GLU CA C 52 59.267 59.267 58.453 0.814 19367 7404 1 17 . 1 1 52 52 GLU CB C 52 29.178 29.178 29.421 -0.243 19367 7405 1 17 . 1 1 52 52 GLU H H 52 7.880 7.880 7.839 0.041 19367 7406 1 17 . 1 1 53 53 ALA N N 53 120.964 120.964 121.738 -0.774 19367 7407 1 17 . 1 1 53 53 ALA HA H 53 3.713 3.713 4.075 -0.362 19367 7408 1 17 . 1 1 53 53 ALA CA C 53 55.176 55.176 54.384 0.792 19367 7409 1 17 . 1 1 53 53 ALA CB C 53 16.573 16.573 18.255 -1.682 19367 7410 1 17 . 1 1 53 53 ALA H H 53 8.381 8.381 7.429 0.952 19367 7411 1 17 . 1 1 54 54 PHE N N 54 113.370 113.370 117.677 -4.307 19367 7412 1 17 . 1 1 54 54 PHE HA H 54 4.329 4.329 4.596 -0.267 19367 7413 1 17 . 1 1 54 54 PHE CA C 54 63.496 63.496 60.956 2.540 19367 7414 1 17 . 1 1 54 54 PHE CB C 54 39.097 39.097 39.337 -0.240 19367 7415 1 17 . 1 1 54 54 PHE H H 54 7.942 7.942 7.696 0.246 19367 7416 1 17 . 1 1 55 55 ILE N N 55 121.983 121.983 120.246 1.737 19367 7417 1 17 . 1 1 55 55 ILE HA H 55 3.946 3.946 3.878 0.068 19367 7418 1 17 . 1 1 55 55 ILE CA C 55 64.969 64.969 64.137 0.832 19367 7419 1 17 . 1 1 55 55 ILE CB C 55 37.589 37.589 37.711 -0.122 19367 7420 1 17 . 1 1 55 55 ILE H H 55 8.373 8.373 8.495 -0.122 19367 7421 1 17 . 1 1 56 56 LYS N N 56 120.661 120.661 120.537 0.124 19367 7422 1 17 . 1 1 56 56 LYS HA H 56 3.860 3.860 4.154 -0.294 19367 7423 1 17 . 1 1 56 56 LYS CA C 56 59.835 59.835 58.386 1.449 19367 7424 1 17 . 1 1 56 56 LYS CB C 56 31.904 31.904 31.933 -0.029 19367 7425 1 17 . 1 1 56 56 LYS H H 56 8.318 8.318 7.907 0.411 19367 7426 1 17 . 1 1 57 57 ALA N N 57 119.884 119.884 122.077 -2.193 19367 7427 1 17 . 1 1 57 57 ALA HA H 57 3.784 3.784 4.206 -0.422 19367 7428 1 17 . 1 1 57 57 ALA CA C 57 54.552 54.552 54.677 -0.125 19367 7429 1 17 . 1 1 57 57 ALA CB C 57 18.251 18.251 18.474 -0.223 19367 7430 1 17 . 1 1 57 57 ALA H H 57 7.937 7.937 7.502 0.435 19367 7431 1 17 . 1 1 58 58 TYR N N 58 116.541 116.541 119.754 -3.213 19367 7432 1 17 . 1 1 58 58 TYR HA H 58 3.549 3.549 3.686 -0.137 19367 7433 1 17 . 1 1 58 58 TYR CA C 58 61.528 61.528 61.351 0.177 19367 7434 1 17 . 1 1 58 58 TYR CB C 58 37.885 37.885 38.400 -0.515 19367 7435 1 17 . 1 1 58 58 TYR H H 58 8.404 8.404 8.237 0.167 19367 7436 1 17 . 1 1 59 59 ARG N N 59 116.321 116.321 116.884 -0.563 19367 7437 1 17 . 1 1 59 59 ARG HA H 59 3.791 3.791 4.163 -0.372 19367 7438 1 17 . 1 1 59 59 ARG CA C 59 58.500 58.500 57.475 1.025 19367 7439 1 17 . 1 1 59 59 ARG CB C 59 30.268 30.268 30.241 0.027 19367 7440 1 17 . 1 1 59 59 ARG H H 59 8.404 8.404 7.784 0.620 19367 7441 1 17 . 1 1 60 60 ALA N N 60 118.867 118.867 120.419 -1.552 19367 7442 1 17 . 1 1 60 60 ALA HA H 60 4.879 4.879 4.553 0.326 19367 7443 1 17 . 1 1 60 60 ALA CA C 60 51.372 51.372 52.069 -0.697 19367 7444 1 17 . 1 1 60 60 ALA CB C 60 20.539 20.539 19.765 0.774 19367 7445 1 17 . 1 1 60 60 ALA H H 60 7.630 7.630 7.493 0.137 19367 7446 1 17 . 1 1 61 61 LEU N N 61 124.902 124.902 120.930 3.972 19367 7447 1 17 . 1 1 61 61 LEU HA H 61 4.094 4.094 4.126 -0.032 19367 7448 1 17 . 1 1 61 61 LEU CA C 61 58.442 58.442 57.379 1.063 19367 7449 1 17 . 1 1 61 61 LEU CB C 61 42.290 42.290 42.178 0.112 19367 7450 1 17 . 1 1 61 61 LEU H H 61 7.598 7.598 8.221 -0.623 19367 7451 1 17 . 1 1 62 62 ASP N N 62 117.094 117.094 118.757 -1.663 19367 7452 1 17 . 1 1 62 62 ASP HA H 62 4.345 4.345 4.512 -0.167 19367 7453 1 17 . 1 1 62 62 ASP CA C 62 56.690 56.690 55.857 0.833 19367 7454 1 17 . 1 1 62 62 ASP CB C 62 39.812 39.812 40.647 -0.835 19367 7455 1 17 . 1 1 62 62 ASP H H 62 8.686 8.686 8.797 -0.111 19367 7456 1 17 . 1 1 63 63 SER N N 63 112.854 112.854 114.701 -1.847 19367 7457 1 17 . 1 1 63 63 SER HA H 63 4.554 4.554 4.473 0.081 19367 7458 1 17 . 1 1 63 63 SER CA C 63 58.052 58.052 57.079 0.973 19367 7459 1 17 . 1 1 63 63 SER CB C 63 64.719 64.719 64.441 0.278 19367 7460 1 17 . 1 1 63 63 SER H H 63 7.969 7.969 7.404 0.565 19367 7461 1 17 . 1 1 64 64 PHE N N 64 125.623 125.623 124.816 0.807 19367 7462 1 17 . 1 1 64 64 PHE HA H 64 4.238 4.238 4.010 0.228 19367 7463 1 17 . 1 1 64 64 PHE CA C 64 56.826 56.826 58.620 -1.794 19367 7464 1 17 . 1 1 64 64 PHE CB C 64 38.210 38.210 39.270 -1.060 19367 7465 1 17 . 1 1 64 64 PHE H H 64 7.383 7.383 7.419 -0.036 19367 7466 1 17 . 1 1 65 65 ARG N N 65 133.273 133.273 124.424 8.849 19367 7467 1 17 . 1 1 65 65 ARG HA H 65 3.861 3.861 4.118 -0.257 19367 7468 1 17 . 1 1 65 65 ARG CA C 65 57.826 57.826 55.603 2.223 19367 7469 1 17 . 1 1 65 65 ARG CB C 65 31.054 31.054 30.640 0.414 19367 7470 1 17 . 1 1 65 65 ARG H H 65 10.968 10.968 7.796 3.172 19367 7471 1 17 . 1 1 66 66 GLY N N 66 103.283 103.283 106.701 -3.418 19367 7472 1 17 . 1 1 66 66 GLY CA C 66 46.309 46.309 44.775 1.534 19367 7473 1 17 . 1 1 66 66 GLY H H 66 5.673 5.673 6.290 -0.617 19367 7474 1 17 . 1 1 67 67 ASP N N 67 120.001 120.001 118.951 1.050 19367 7475 1 17 . 1 1 67 67 ASP HA H 67 4.551 4.551 4.512 0.039 19367 7476 1 17 . 1 1 67 67 ASP CA C 67 55.488 55.488 54.984 0.504 19367 7477 1 17 . 1 1 67 67 ASP CB C 67 40.655 40.655 40.916 -0.262 19367 7478 1 17 . 1 1 67 67 ASP H H 67 7.960 7.960 8.121 -0.161 19367 7479 1 17 . 1 1 68 68 SER N N 68 110.787 110.787 112.336 -1.549 19367 7480 1 17 . 1 1 68 68 SER HA H 68 4.633 4.633 4.647 -0.014 19367 7481 1 17 . 1 1 68 68 SER CA C 68 56.762 56.762 57.537 -0.775 19367 7482 1 17 . 1 1 68 68 SER CB C 68 67.439 67.439 65.077 2.362 19367 7483 1 17 . 1 1 68 68 SER H H 68 7.692 7.692 7.390 0.302 19367 7484 1 17 . 1 1 69 69 ALA N N 69 122.464 122.464 124.711 -2.247 19367 7485 1 17 . 1 1 69 69 ALA HA H 69 4.692 4.692 4.533 0.159 19367 7486 1 17 . 1 1 69 69 ALA CA C 69 52.674 52.674 52.559 0.114 19367 7487 1 17 . 1 1 69 69 ALA CB C 69 18.751 18.751 19.620 -0.869 19367 7488 1 17 . 1 1 69 69 ALA H H 69 9.726 9.726 8.673 1.053 19367 7489 1 17 . 1 1 70 70 PHE N N 70 127.188 127.188 121.978 5.210 19367 7490 1 17 . 1 1 70 70 PHE HA H 70 4.085 4.085 4.185 -0.100 19367 7491 1 17 . 1 1 70 70 PHE CA C 70 62.108 62.108 60.775 1.333 19367 7492 1 17 . 1 1 70 70 PHE CB C 70 39.054 39.054 39.620 -0.566 19367 7493 1 17 . 1 1 70 70 PHE H H 70 9.774 9.774 8.925 0.849 19367 7494 1 17 . 1 1 71 71 TYR N N 71 117.533 117.533 118.059 -0.526 19367 7495 1 17 . 1 1 71 71 TYR HA H 71 3.449 3.449 3.939 -0.490 19367 7496 1 17 . 1 1 71 71 TYR CA C 71 61.684 61.684 61.106 0.578 19367 7497 1 17 . 1 1 71 71 TYR CB C 71 37.072 37.072 37.966 -0.894 19367 7498 1 17 . 1 1 71 71 TYR H H 71 9.720 9.720 8.555 1.165 19367 7499 1 17 . 1 1 72 72 THR N N 72 114.574 114.574 117.310 -2.736 19367 7500 1 17 . 1 1 72 72 THR HA H 72 5.436 5.436 3.907 1.529 19367 7501 1 17 . 1 1 72 72 THR CA C 72 63.426 63.426 66.248 -2.822 19367 7502 1 17 . 1 1 72 72 THR CB C 72 68.762 68.762 68.541 0.221 19367 7503 1 17 . 1 1 72 72 THR H H 72 6.675 6.675 7.756 -1.081 19367 7504 1 17 . 1 1 73 73 TRP N N 73 123.561 123.561 123.021 0.540 19367 7505 1 17 . 1 1 73 73 TRP HA H 73 3.956 3.956 4.493 -0.537 19367 7506 1 17 . 1 1 73 73 TRP CA C 73 62.112 62.112 60.816 1.296 19367 7507 1 17 . 1 1 73 73 TRP CB C 73 28.971 28.971 29.626 -0.655 19367 7508 1 17 . 1 1 73 73 TRP H H 73 6.924 6.924 7.518 -0.594 19367 7509 1 17 . 1 1 74 74 LEU N N 74 118.760 118.760 121.462 -2.702 19367 7510 1 17 . 1 1 74 74 LEU HA H 74 2.960 2.960 3.395 -0.435 19367 7511 1 17 . 1 1 74 74 LEU CA C 74 57.105 57.105 57.052 0.053 19367 7512 1 17 . 1 1 74 74 LEU CB C 74 41.503 41.503 41.441 0.062 19367 7513 1 17 . 1 1 74 74 LEU H H 74 7.903 7.903 7.779 0.124 19367 7514 1 17 . 1 1 75 75 TYR N N 75 119.616 119.616 119.062 0.554 19367 7515 1 17 . 1 1 75 75 TYR HA H 75 2.928 2.928 3.760 -0.832 19367 7516 1 17 . 1 1 75 75 TYR CA C 75 60.187 60.187 61.414 -1.227 19367 7517 1 17 . 1 1 75 75 TYR CB C 75 37.987 37.987 38.015 -0.028 19367 7518 1 17 . 1 1 75 75 TYR H H 75 8.717 8.717 8.089 0.628 19367 7519 1 17 . 1 1 76 76 ARG N N 76 116.789 116.789 119.016 -2.227 19367 7520 1 17 . 1 1 76 76 ARG HA H 76 3.634 3.634 4.050 -0.416 19367 7521 1 17 . 1 1 76 76 ARG CA C 76 56.003 56.003 58.203 -2.200 19367 7522 1 17 . 1 1 76 76 ARG CB C 76 27.476 27.476 29.195 -1.719 19367 7523 1 17 . 1 1 76 76 ARG H H 76 6.809 6.809 7.408 -0.599 19367 7524 1 17 . 1 1 77 77 ILE N N 77 117.721 117.721 119.063 -1.342 19367 7525 1 17 . 1 1 77 77 ILE HA H 77 2.853 2.853 3.577 -0.724 19367 7526 1 17 . 1 1 77 77 ILE CA C 77 65.599 65.599 64.359 1.240 19367 7527 1 17 . 1 1 77 77 ILE CB C 77 36.937 36.937 37.384 -0.447 19367 7528 1 17 . 1 1 77 77 ILE H H 77 7.316 7.316 7.318 -0.002 19367 7529 1 17 . 1 1 78 78 ALA N N 78 125.528 125.528 123.460 2.068 19367 7530 1 17 . 1 1 78 78 ALA HA H 78 3.369 3.369 3.804 -0.435 19367 7531 1 17 . 1 1 78 78 ALA CA C 78 55.876 55.876 54.992 0.884 19367 7532 1 17 . 1 1 78 78 ALA CB C 78 17.833 17.833 17.994 -0.161 19367 7533 1 17 . 1 1 78 78 ALA H H 78 8.788 8.788 7.425 1.363 19367 7534 1 17 . 1 1 79 79 VAL N N 79 117.392 117.392 116.901 0.491 19367 7535 1 17 . 1 1 79 79 VAL HA H 79 2.819 2.819 3.479 -0.660 19367 7536 1 17 . 1 1 79 79 VAL CA C 79 67.174 67.174 65.023 2.151 19367 7537 1 17 . 1 1 79 79 VAL CB C 79 31.642 31.642 31.914 -0.272 19367 7538 1 17 . 1 1 79 79 VAL H H 79 8.046 8.046 7.602 0.444 19367 7539 1 17 . 1 1 80 80 ASN N N 80 117.152 117.152 117.694 -0.542 19367 7540 1 17 . 1 1 80 80 ASN HA H 80 4.368 4.368 4.547 -0.179 19367 7541 1 17 . 1 1 80 80 ASN CA C 80 55.630 55.630 55.378 0.252 19367 7542 1 17 . 1 1 80 80 ASN CB C 80 36.752 36.752 38.114 -1.362 19367 7543 1 17 . 1 1 80 80 ASN H H 80 8.146 8.146 7.617 0.529 19367 7544 1 17 . 1 1 81 81 THR N N 81 119.140 119.140 117.480 1.660 19367 7545 1 17 . 1 1 81 81 THR HA H 81 3.795 3.795 4.043 -0.248 19367 7546 1 17 . 1 1 81 81 THR CA C 81 67.441 67.441 65.964 1.477 19367 7547 1 17 . 1 1 81 81 THR CB C 81 68.102 68.102 68.845 -0.743 19367 7548 1 17 . 1 1 81 81 THR H H 81 8.320 8.320 8.093 0.227 19367 7549 1 17 . 1 1 82 82 ALA N N 82 124.957 124.957 122.987 1.970 19367 7550 1 17 . 1 1 82 82 ALA HA H 82 3.789 3.789 4.085 -0.296 19367 7551 1 17 . 1 1 82 82 ALA CA C 82 55.415 55.415 54.812 0.603 19367 7552 1 17 . 1 1 82 82 ALA CB C 82 18.020 18.020 18.389 -0.369 19367 7553 1 17 . 1 1 82 82 ALA H H 82 8.037 8.037 7.695 0.342 19367 7554 1 17 . 1 1 83 83 LYS N N 83 116.190 116.190 117.115 -0.925 19367 7555 1 17 . 1 1 83 83 LYS HA H 83 3.815 3.815 4.048 -0.233 19367 7556 1 17 . 1 1 83 83 LYS CA C 83 60.160 60.160 58.723 1.437 19367 7557 1 17 . 1 1 83 83 LYS CB C 83 32.312 32.312 32.495 -0.183 19367 7558 1 17 . 1 1 83 83 LYS H H 83 8.314 8.314 7.611 0.703 19367 7559 1 17 . 1 1 84 84 ASN N N 84 117.083 117.083 117.793 -0.710 19367 7560 1 17 . 1 1 84 84 ASN HA H 84 4.486 4.486 4.485 0.001 19367 7561 1 17 . 1 1 84 84 ASN CA C 84 55.213 55.213 54.929 0.284 19367 7562 1 17 . 1 1 84 84 ASN CB C 84 38.461 38.461 38.470 -0.009 19367 7563 1 17 . 1 1 84 84 ASN H H 84 8.004 8.004 7.722 0.282 19367 7564 1 17 . 1 1 85 85 TYR N N 85 122.935 122.935 120.975 1.960 19367 7565 1 17 . 1 1 85 85 TYR HA H 85 4.147 4.147 4.284 -0.137 19367 7566 1 17 . 1 1 85 85 TYR CA C 85 61.408 61.408 61.314 0.094 19367 7567 1 17 . 1 1 85 85 TYR CB C 85 38.428 38.428 38.714 -0.285 19367 7568 1 17 . 1 1 85 85 TYR H H 85 7.935 7.935 7.633 0.302 19367 7569 1 17 . 1 1 86 86 LEU N N 86 119.119 119.119 117.744 1.375 19367 7570 1 17 . 1 1 86 86 LEU HA H 86 3.998 3.998 3.930 0.068 19367 7571 1 17 . 1 1 86 86 LEU CA C 86 57.647 57.647 57.306 0.341 19367 7572 1 17 . 1 1 86 86 LEU CB C 86 41.906 41.906 41.942 -0.036 19367 7573 1 17 . 1 1 86 86 LEU H H 86 7.810 7.810 7.618 0.192 19367 7574 1 17 . 1 1 87 87 VAL N N 87 118.991 118.991 113.444 5.547 19367 7575 1 17 . 1 1 87 87 VAL HA H 87 3.806 3.806 4.077 -0.271 19367 7576 1 17 . 1 1 87 87 VAL CA C 87 64.989 64.989 63.617 1.372 19367 7577 1 17 . 1 1 87 87 VAL CB C 87 32.126 32.126 30.889 1.237 19367 7578 1 17 . 1 1 87 87 VAL H H 87 7.701 7.701 7.206 0.495 19367 7579 1 17 . 1 1 88 88 ALA N N 88 123.643 123.643 123.481 0.162 19367 7580 1 17 . 1 1 88 88 ALA HA H 88 4.088 4.088 4.106 -0.018 19367 7581 1 17 . 1 1 88 88 ALA CA C 88 54.188 54.188 54.549 -0.361 19367 7582 1 17 . 1 1 88 88 ALA CB C 88 18.460 18.460 18.821 -0.361 19367 7583 1 17 . 1 1 88 88 ALA H H 88 7.978 7.978 7.395 0.583 19367 7584 1 17 . 1 1 89 89 GLN N N 89 116.659 116.659 113.930 2.729 19367 7585 1 17 . 1 1 89 89 GLN HA H 89 4.024 4.024 4.377 -0.353 19367 7586 1 17 . 1 1 89 89 GLN CA C 89 56.818 56.818 55.057 1.761 19367 7587 1 17 . 1 1 89 89 GLN CB C 89 28.776 28.776 29.183 -0.407 19367 7588 1 17 . 1 1 89 89 GLN H H 89 7.974 7.974 7.333 0.641 19367 7589 1 17 . 1 1 90 90 GLY N N 90 107.464 107.464 108.848 -1.384 19367 7590 1 17 . 1 1 90 90 GLY CA C 90 45.782 45.782 45.024 0.758 19367 7591 1 17 . 1 1 90 90 GLY H H 90 7.967 7.967 8.487 -0.520 19367 7592 1 17 . 1 1 91 91 ARG N N 91 119.736 119.736 117.510 2.226 19367 7593 1 17 . 1 1 91 91 ARG HA H 91 4.299 4.299 4.626 -0.327 19367 7594 1 17 . 1 1 91 91 ARG CA C 91 56.216 56.216 54.136 2.080 19367 7595 1 17 . 1 1 91 91 ARG CB C 91 30.805 30.805 32.609 -1.804 19367 7596 1 17 . 1 1 91 91 ARG H H 91 7.824 7.824 7.329 0.495 19367 7597 1 17 . 1 1 92 92 ARG N N 92 120.592 120.592 119.262 1.330 19367 7598 1 17 . 1 1 92 92 ARG HA H 92 4.270 4.270 3.973 0.297 19367 7599 1 17 . 1 1 92 92 ARG CA C 92 56.451 56.451 56.693 -0.242 19367 7600 1 17 . 1 1 92 92 ARG CB C 92 30.658 30.658 30.864 -0.206 19367 7601 1 17 . 1 1 92 92 ARG H H 92 8.038 8.038 8.681 -0.643 19367 7602 1 17 . 1 1 93 93 LEU N N 93 122.274 122.274 119.921 2.353 19367 7603 1 17 . 1 1 93 93 LEU HA H 93 4.258 4.258 4.004 0.254 19367 7604 1 17 . 1 1 93 93 LEU CA C 93 55.463 55.463 56.040 -0.577 19367 7605 1 17 . 1 1 93 93 LEU CB C 93 42.203 42.203 40.306 1.897 19367 7606 1 17 . 1 1 93 93 LEU H H 93 8.147 8.147 8.668 -0.521 19367 7607 1 17 . 1 1 94 94 GLU N N 94 120.794 120.794 118.088 2.706 19367 7608 1 17 . 1 1 94 94 GLU HA H 94 4.249 4.249 4.267 -0.018 19367 7609 1 17 . 1 1 94 94 GLU CA C 94 56.557 56.557 56.498 0.059 19367 7610 1 17 . 1 1 94 94 GLU CB C 94 30.103 30.103 30.053 0.050 19367 7611 1 17 . 1 1 94 94 GLU H H 94 8.241 8.241 7.724 0.517 19367 7612 1 17 . 1 1 95 95 LEU N N 95 122.290 122.290 120.147 2.143 19367 7613 1 17 . 1 1 95 95 LEU HA H 95 4.312 4.312 4.041 0.271 19367 7614 1 17 . 1 1 95 95 LEU CA C 95 55.080 55.080 55.728 -0.648 19367 7615 1 17 . 1 1 95 95 LEU CB C 95 42.130 42.130 41.419 0.711 19367 7616 1 17 . 1 1 95 95 LEU H H 95 8.068 8.068 8.513 -0.445 19367 7617 1 18 . 1 1 4 4 GLN N N 4 121.848 121.848 116.783 5.065 19367 7618 1 18 . 1 1 4 4 GLN HA H 4 4.307 4.307 4.104 0.203 19367 7619 1 18 . 1 1 4 4 GLN CA C 4 55.724 55.724 56.057 -0.333 19367 7620 1 18 . 1 1 4 4 GLN CB C 4 29.297 29.297 28.406 0.891 19367 7621 1 18 . 1 1 4 4 GLN H H 4 8.500 8.500 8.276 0.224 19367 7622 1 18 . 1 1 5 5 LEU N N 5 124.347 124.347 121.318 3.029 19367 7623 1 18 . 1 1 5 5 LEU HA H 5 4.548 4.548 4.377 0.171 19367 7624 1 18 . 1 1 5 5 LEU CA C 5 53.785 53.785 54.467 -0.682 19367 7625 1 18 . 1 1 5 5 LEU CB C 5 41.886 41.886 39.707 2.179 19367 7626 1 18 . 1 1 5 5 LEU H H 5 8.565 8.565 8.374 0.191 19367 7627 1 18 . 1 1 6 6 THR N N 6 114.442 114.442 112.504 1.938 19367 7628 1 18 . 1 1 6 6 THR HA H 6 4.353 4.353 4.259 0.094 19367 7629 1 18 . 1 1 6 6 THR CA C 6 61.195 61.195 61.970 -0.775 19367 7630 1 18 . 1 1 6 6 THR CB C 6 70.541 70.541 70.181 0.360 19367 7631 1 18 . 1 1 6 6 THR H H 6 7.950 7.950 7.632 0.318 19367 7632 1 18 . 1 1 7 7 ASP N N 7 120.959 120.959 119.316 1.643 19367 7633 1 18 . 1 1 7 7 ASP HA H 7 4.197 4.197 4.364 -0.167 19367 7634 1 18 . 1 1 7 7 ASP CA C 7 57.820 57.820 57.806 0.014 19367 7635 1 18 . 1 1 7 7 ASP CB C 7 39.621 39.621 40.347 -0.726 19367 7636 1 18 . 1 1 7 7 ASP H H 7 9.008 9.008 8.930 0.078 19367 7637 1 18 . 1 1 8 8 GLN N N 8 116.649 116.649 119.529 -2.880 19367 7638 1 18 . 1 1 8 8 GLN HA H 8 4.012 4.012 4.185 -0.173 19367 7639 1 18 . 1 1 8 8 GLN CA C 8 59.746 59.746 58.672 1.074 19367 7640 1 18 . 1 1 8 8 GLN CB C 8 28.188 28.188 28.944 -0.756 19367 7641 1 18 . 1 1 8 8 GLN H H 8 8.561 8.561 7.601 0.960 19367 7642 1 18 . 1 1 9 9 VAL N N 9 120.579 120.579 120.064 0.515 19367 7643 1 18 . 1 1 9 9 VAL HA H 9 3.760 3.760 4.151 -0.391 19367 7644 1 18 . 1 1 9 9 VAL CA C 9 66.108 66.108 63.910 2.198 19367 7645 1 18 . 1 1 9 9 VAL CB C 9 31.558 31.558 31.903 -0.345 19367 7646 1 18 . 1 1 9 9 VAL H H 9 7.450 7.450 7.545 -0.095 19367 7647 1 18 . 1 1 10 10 LEU N N 10 119.806 119.806 121.050 -1.244 19367 7648 1 18 . 1 1 10 10 LEU HA H 10 3.917 3.917 4.164 -0.247 19367 7649 1 18 . 1 1 10 10 LEU CA C 10 58.415 58.415 57.786 0.629 19367 7650 1 18 . 1 1 10 10 LEU CB C 10 41.299 41.299 41.709 -0.410 19367 7651 1 18 . 1 1 10 10 LEU H H 10 7.865 7.865 7.650 0.215 19367 7652 1 18 . 1 1 11 11 VAL N N 11 119.041 119.041 118.682 0.359 19367 7653 1 18 . 1 1 11 11 VAL HA H 11 3.280 3.280 3.528 -0.248 19367 7654 1 18 . 1 1 11 11 VAL CA C 11 67.631 67.631 66.521 1.110 19367 7655 1 18 . 1 1 11 11 VAL CB C 11 31.723 31.723 31.470 0.253 19367 7656 1 18 . 1 1 11 11 VAL H H 11 8.734 8.734 7.548 1.186 19367 7657 1 18 . 1 1 12 12 GLU N N 12 119.018 119.018 119.587 -0.569 19367 7658 1 18 . 1 1 12 12 GLU HA H 12 4.110 4.110 4.020 0.090 19367 7659 1 18 . 1 1 12 12 GLU CA C 12 59.514 59.514 58.959 0.555 19367 7660 1 18 . 1 1 12 12 GLU CB C 12 28.603 28.603 29.298 -0.695 19367 7661 1 18 . 1 1 12 12 GLU H H 12 7.802 7.802 7.525 0.277 19367 7662 1 18 . 1 1 13 13 ARG N N 13 117.242 117.242 119.885 -2.643 19367 7663 1 18 . 1 1 13 13 ARG HA H 13 4.011 4.011 4.118 -0.107 19367 7664 1 18 . 1 1 13 13 ARG CA C 13 60.016 60.016 59.156 0.860 19367 7665 1 18 . 1 1 13 13 ARG CB C 13 27.737 27.737 30.182 -2.445 19367 7666 1 18 . 1 1 13 13 ARG H H 13 8.107 8.107 7.866 0.241 19367 7667 1 18 . 1 1 14 14 VAL N N 14 121.430 121.430 119.204 2.226 19367 7668 1 18 . 1 1 14 14 VAL HA H 14 3.767 3.767 4.114 -0.347 19367 7669 1 18 . 1 1 14 14 VAL CA C 14 66.462 66.462 65.649 0.813 19367 7670 1 18 . 1 1 14 14 VAL CB C 14 31.616 31.616 31.891 -0.275 19367 7671 1 18 . 1 1 14 14 VAL H H 14 8.435 8.435 7.499 0.936 19367 7672 1 18 . 1 1 15 15 GLN N N 15 120.667 120.667 119.336 1.331 19367 7673 1 18 . 1 1 15 15 GLN HA H 15 4.088 4.088 4.096 -0.008 19367 7674 1 18 . 1 1 15 15 GLN CA C 15 58.628 58.628 58.181 0.447 19367 7675 1 18 . 1 1 15 15 GLN CB C 15 27.995 27.995 28.512 -0.517 19367 7676 1 18 . 1 1 15 15 GLN H H 15 8.670 8.670 7.630 1.040 19367 7677 1 18 . 1 1 16 16 LYS N N 16 116.797 116.797 117.546 -0.749 19367 7678 1 18 . 1 1 16 16 LYS HA H 16 4.374 4.374 4.291 0.083 19367 7679 1 18 . 1 1 16 16 LYS CA C 16 56.278 56.278 56.099 0.179 19367 7680 1 18 . 1 1 16 16 LYS CB C 16 32.299 32.299 32.110 0.189 19367 7681 1 18 . 1 1 16 16 LYS H H 16 7.700 7.700 7.457 0.243 19367 7682 1 18 . 1 1 17 17 GLY N N 17 107.001 107.001 108.096 -1.095 19367 7683 1 18 . 1 1 17 17 GLY CA C 17 45.608 45.608 45.005 0.603 19367 7684 1 18 . 1 1 17 17 GLY H H 17 7.927 7.927 7.739 0.188 19367 7685 1 18 . 1 1 18 18 ASP N N 18 121.666 121.666 121.898 -0.232 19367 7686 1 18 . 1 1 18 18 ASP HA H 18 4.769 4.769 4.693 0.076 19367 7687 1 18 . 1 1 18 18 ASP CA C 18 52.999 52.999 53.851 -0.852 19367 7688 1 18 . 1 1 18 18 ASP CB C 18 40.814 40.814 41.110 -0.296 19367 7689 1 18 . 1 1 18 18 ASP H H 18 8.255 8.255 7.644 0.611 19367 7690 1 18 . 1 1 19 19 GLN N N 19 124.874 124.874 125.582 -0.708 19367 7691 1 18 . 1 1 19 19 GLN HA H 19 4.150 4.150 4.362 -0.212 19367 7692 1 18 . 1 1 19 19 GLN CA C 19 58.922 58.922 58.053 0.869 19367 7693 1 18 . 1 1 19 19 GLN CB C 19 28.759 28.759 29.011 -0.252 19367 7694 1 18 . 1 1 19 19 GLN H H 19 8.392 8.392 8.544 -0.152 19367 7695 1 18 . 1 1 20 20 LYS N N 20 119.006 119.006 119.004 0.002 19367 7696 1 18 . 1 1 20 20 LYS HA H 20 4.118 4.118 4.178 -0.060 19367 7697 1 18 . 1 1 20 20 LYS CA C 20 58.642 58.642 58.174 0.468 19367 7698 1 18 . 1 1 20 20 LYS CB C 20 31.678 31.678 32.098 -0.420 19367 7699 1 18 . 1 1 20 20 LYS H H 20 8.348 8.348 7.975 0.373 19367 7700 1 18 . 1 1 21 21 ALA N N 21 121.687 121.687 121.802 -0.115 19367 7701 1 18 . 1 1 21 21 ALA HA H 21 4.010 4.010 4.191 -0.181 19367 7702 1 18 . 1 1 21 21 ALA CA C 21 54.485 54.485 54.709 -0.224 19367 7703 1 18 . 1 1 21 21 ALA CB C 21 18.634 18.634 18.181 0.453 19367 7704 1 18 . 1 1 21 21 ALA H H 21 7.500 7.500 8.232 -0.732 19367 7705 1 18 . 1 1 22 22 PHE N N 22 117.219 117.219 118.933 -1.714 19367 7706 1 18 . 1 1 22 22 PHE HA H 22 3.994 3.994 4.236 -0.242 19367 7707 1 18 . 1 1 22 22 PHE CA C 22 61.907 61.907 60.704 1.203 19367 7708 1 18 . 1 1 22 22 PHE CB C 22 38.571 38.571 39.545 -0.974 19367 7709 1 18 . 1 1 22 22 PHE H H 22 7.810 7.810 7.739 0.071 19367 7710 1 18 . 1 1 23 23 ASN N N 23 115.600 115.600 118.982 -3.382 19367 7711 1 18 . 1 1 23 23 ASN HA H 23 4.163 4.163 4.305 -0.142 19367 7712 1 18 . 1 1 23 23 ASN CA C 23 56.264 56.264 56.455 -0.191 19367 7713 1 18 . 1 1 23 23 ASN CB C 23 38.131 38.131 38.437 -0.306 19367 7714 1 18 . 1 1 23 23 ASN H H 23 7.711 7.711 7.764 -0.053 19367 7715 1 18 . 1 1 24 24 LEU N N 24 117.605 117.605 119.476 -1.871 19367 7716 1 18 . 1 1 24 24 LEU HA H 24 3.999 3.999 4.114 -0.115 19367 7717 1 18 . 1 1 24 24 LEU CA C 24 57.811 57.811 57.281 0.530 19367 7718 1 18 . 1 1 24 24 LEU CB C 24 41.367 41.367 41.017 0.350 19367 7719 1 18 . 1 1 24 24 LEU H H 24 7.344 7.344 7.599 -0.255 19367 7720 1 18 . 1 1 25 25 LEU N N 25 120.426 120.426 120.601 -0.175 19367 7721 1 18 . 1 1 25 25 LEU HA H 25 3.938 3.938 4.133 -0.195 19367 7722 1 18 . 1 1 25 25 LEU CA C 25 57.863 57.863 57.158 0.705 19367 7723 1 18 . 1 1 25 25 LEU CB C 25 41.479 41.479 41.720 -0.241 19367 7724 1 18 . 1 1 25 25 LEU H H 25 7.036 7.036 7.278 -0.242 19367 7725 1 18 . 1 1 26 26 VAL N N 26 119.676 119.676 119.596 0.080 19367 7726 1 18 . 1 1 26 26 VAL HA H 26 2.857 2.857 2.693 0.164 19367 7727 1 18 . 1 1 26 26 VAL CA C 26 65.821 65.821 66.313 -0.492 19367 7728 1 18 . 1 1 26 26 VAL CB C 26 30.816 30.816 30.988 -0.172 19367 7729 1 18 . 1 1 26 26 VAL H H 26 7.369 7.369 7.602 -0.233 19367 7730 1 18 . 1 1 27 27 VAL N N 27 117.098 117.098 117.806 -0.708 19367 7731 1 18 . 1 1 27 27 VAL HA H 27 3.542 3.542 3.547 -0.005 19367 7732 1 18 . 1 1 27 27 VAL CA C 27 65.837 65.837 65.428 0.409 19367 7733 1 18 . 1 1 27 27 VAL CB C 27 31.728 31.728 30.936 0.793 19367 7734 1 18 . 1 1 27 27 VAL H H 27 7.816 7.816 7.833 -0.017 19367 7735 1 18 . 1 1 28 28 ARG N N 28 118.592 118.592 119.185 -0.593 19367 7736 1 18 . 1 1 28 28 ARG HA H 28 3.838 3.838 3.965 -0.127 19367 7737 1 18 . 1 1 28 28 ARG CA C 28 59.356 59.356 58.515 0.841 19367 7738 1 18 . 1 1 28 28 ARG CB C 28 31.069 31.069 30.217 0.852 19367 7739 1 18 . 1 1 28 28 ARG H H 28 7.491 7.491 7.352 0.139 19367 7740 1 18 . 1 1 29 29 TYR N N 29 112.635 112.635 116.589 -3.954 19367 7741 1 18 . 1 1 29 29 TYR HA H 29 4.945 4.945 4.822 0.123 19367 7742 1 18 . 1 1 29 29 TYR CA C 29 60.438 60.438 58.353 2.085 19367 7743 1 18 . 1 1 29 29 TYR CB C 29 40.619 40.619 39.667 0.952 19367 7744 1 18 . 1 1 29 29 TYR H H 29 7.675 7.675 7.396 0.279 19367 7745 1 18 . 1 1 30 30 GLN N N 30 123.043 123.043 121.273 1.770 19367 7746 1 18 . 1 1 30 30 GLN HA H 30 4.119 4.119 4.234 -0.115 19367 7747 1 18 . 1 1 30 30 GLN CA C 30 61.409 61.409 59.638 1.771 19367 7748 1 18 . 1 1 30 30 GLN CB C 30 26.933 26.933 27.797 -0.864 19367 7749 1 18 . 1 1 30 30 GLN H H 30 9.056 9.056 8.108 0.948 19367 7750 1 18 . 1 1 31 31 HIS N N 31 118.704 118.704 117.445 1.259 19367 7751 1 18 . 1 1 31 31 HIS HA H 31 4.435 4.435 4.465 -0.030 19367 7752 1 18 . 1 1 31 31 HIS CA C 31 59.580 59.580 58.832 0.748 19367 7753 1 18 . 1 1 31 31 HIS CB C 31 29.396 29.396 29.937 -0.541 19367 7754 1 18 . 1 1 31 31 HIS H H 31 8.616 8.616 8.348 0.268 19367 7755 1 18 . 1 1 32 32 LYS N N 32 122.594 122.594 120.626 1.968 19367 7756 1 18 . 1 1 32 32 LYS HA H 32 4.029 4.029 4.217 -0.188 19367 7757 1 18 . 1 1 32 32 LYS CA C 32 59.869 59.869 59.324 0.545 19367 7758 1 18 . 1 1 32 32 LYS CB C 32 32.580 32.580 32.535 0.045 19367 7759 1 18 . 1 1 32 32 LYS H H 32 7.848 7.848 7.571 0.277 19367 7760 1 18 . 1 1 33 33 VAL N N 33 119.621 119.621 119.538 0.083 19367 7761 1 18 . 1 1 33 33 VAL HA H 33 3.480 3.480 3.688 -0.208 19367 7762 1 18 . 1 1 33 33 VAL CA C 33 66.671 66.671 64.689 1.982 19367 7763 1 18 . 1 1 33 33 VAL CB C 33 31.142 31.142 31.599 -0.457 19367 7764 1 18 . 1 1 33 33 VAL H H 33 8.653 8.653 8.463 0.190 19367 7765 1 18 . 1 1 34 34 ALA N N 34 122.622 122.622 121.692 0.930 19367 7766 1 18 . 1 1 34 34 ALA HA H 34 3.736 3.736 4.080 -0.344 19367 7767 1 18 . 1 1 34 34 ALA CA C 34 55.762 55.762 55.172 0.590 19367 7768 1 18 . 1 1 34 34 ALA CB C 34 17.681 17.681 18.158 -0.477 19367 7769 1 18 . 1 1 34 34 ALA H H 34 8.498 8.498 7.659 0.839 19367 7770 1 18 . 1 1 35 35 SER N N 35 113.674 113.674 113.183 0.491 19367 7771 1 18 . 1 1 35 35 SER HA H 35 4.040 4.040 4.284 -0.244 19367 7772 1 18 . 1 1 35 35 SER CA C 35 61.765 61.765 60.341 1.424 19367 7773 1 18 . 1 1 35 35 SER CB C 35 62.766 62.766 63.405 -0.639 19367 7774 1 18 . 1 1 35 35 SER H H 35 7.897 7.897 7.528 0.369 19367 7775 1 18 . 1 1 36 36 LEU N N 36 123.203 123.203 122.025 1.178 19367 7776 1 18 . 1 1 36 36 LEU HA H 36 3.992 3.992 4.236 -0.244 19367 7777 1 18 . 1 1 36 36 LEU CA C 36 57.863 57.863 57.268 0.595 19367 7778 1 18 . 1 1 36 36 LEU CB C 36 42.718 42.718 42.219 0.499 19367 7779 1 18 . 1 1 36 36 LEU H H 36 7.494 7.494 7.208 0.286 19367 7780 1 18 . 1 1 37 37 VAL N N 37 114.122 114.122 114.963 -0.841 19367 7781 1 18 . 1 1 37 37 VAL HA H 37 3.627 3.627 4.055 -0.428 19367 7782 1 18 . 1 1 37 37 VAL CA C 37 65.879 65.879 65.464 0.415 19367 7783 1 18 . 1 1 37 37 VAL CB C 37 31.214 31.214 31.308 -0.094 19367 7784 1 18 . 1 1 37 37 VAL H H 37 8.530 8.530 8.345 0.185 19367 7785 1 18 . 1 1 38 38 SER N N 38 116.259 116.259 114.842 1.417 19367 7786 1 18 . 1 1 38 38 SER HA H 38 4.276 4.276 4.380 -0.104 19367 7787 1 18 . 1 1 38 38 SER CA C 38 60.898 60.898 60.168 0.730 19367 7788 1 18 . 1 1 38 38 SER CB C 38 63.143 63.143 63.206 -0.062 19367 7789 1 18 . 1 1 38 38 SER H H 38 8.136 8.136 7.733 0.403 19367 7790 1 18 . 1 1 39 39 ARG N N 39 119.029 119.029 119.285 -0.256 19367 7791 1 18 . 1 1 39 39 ARG HA H 39 3.995 3.995 3.954 0.041 19367 7792 1 18 . 1 1 39 39 ARG CA C 39 57.640 57.640 57.581 0.059 19367 7793 1 18 . 1 1 39 39 ARG CB C 39 29.719 29.719 29.982 -0.263 19367 7794 1 18 . 1 1 39 39 ARG H H 39 7.310 7.310 7.376 -0.066 19367 7795 1 18 . 1 1 40 40 TYR N N 40 114.123 114.123 115.463 -1.340 19367 7796 1 18 . 1 1 40 40 TYR HA H 40 4.472 4.472 4.700 -0.228 19367 7797 1 18 . 1 1 40 40 TYR CA C 40 59.298 59.298 57.993 1.305 19367 7798 1 18 . 1 1 40 40 TYR CB C 40 42.809 42.809 41.162 1.647 19367 7799 1 18 . 1 1 40 40 TYR H H 40 7.786 7.786 7.778 0.008 19367 7800 1 18 . 1 1 41 41 VAL N N 41 112.721 112.721 114.653 -1.932 19367 7801 1 18 . 1 1 41 41 VAL HA H 41 4.853 4.853 4.745 0.108 19367 7802 1 18 . 1 1 41 41 VAL CA C 41 57.942 57.942 57.964 -0.022 19367 7803 1 18 . 1 1 41 41 VAL CB C 41 33.171 33.171 33.174 -0.003 19367 7804 1 18 . 1 1 41 41 VAL H H 41 7.388 7.388 7.946 -0.558 19367 7805 1 18 . 1 1 42 42 PRO HA H 42 4.415 4.415 4.763 -0.348 19367 7806 1 18 . 1 1 42 42 PRO CA C 42 62.645 62.645 62.658 -0.013 19367 7807 1 18 . 1 1 42 42 PRO CB C 42 32.603 32.603 32.657 -0.054 19367 7808 1 18 . 1 1 43 43 SER N N 43 116.784 116.784 115.631 1.153 19367 7809 1 18 . 1 1 43 43 SER HA H 43 4.009 4.009 4.188 -0.179 19367 7810 1 18 . 1 1 43 43 SER CA C 43 62.098 62.098 60.173 1.925 19367 7811 1 18 . 1 1 43 43 SER CB C 43 62.862 62.862 62.672 0.190 19367 7812 1 18 . 1 1 43 43 SER H H 43 8.602 8.602 8.457 0.145 19367 7813 1 18 . 1 1 44 44 GLY N N 44 107.756 107.756 109.066 -1.310 19367 7814 1 18 . 1 1 44 44 GLY CA C 44 46.503 46.503 45.695 0.808 19367 7815 1 18 . 1 1 44 44 GLY H H 44 8.812 8.812 8.213 0.599 19367 7816 1 18 . 1 1 45 45 ASP N N 45 117.822 117.822 119.894 -2.072 19367 7817 1 18 . 1 1 45 45 ASP HA H 45 4.875 4.875 4.880 -0.005 19367 7818 1 18 . 1 1 45 45 ASP CA C 45 54.770 54.770 53.735 1.035 19367 7819 1 18 . 1 1 45 45 ASP CB C 45 42.593 42.593 42.261 0.331 19367 7820 1 18 . 1 1 45 45 ASP H H 45 7.764 7.764 8.071 -0.307 19367 7821 1 18 . 1 1 46 46 VAL N N 46 119.385 119.385 122.012 -2.627 19367 7822 1 18 . 1 1 46 46 VAL HA H 46 3.233 3.233 3.701 -0.468 19367 7823 1 18 . 1 1 46 46 VAL CA C 46 68.546 68.546 69.073 -0.527 19367 7824 1 18 . 1 1 46 46 VAL CB C 46 29.851 29.851 29.788 0.063 19367 7825 1 18 . 1 1 46 46 VAL H H 46 7.148 7.148 7.393 -0.245 19367 7826 1 18 . 1 1 47 47 PRO HA H 47 4.113 4.113 4.261 -0.148 19367 7827 1 18 . 1 1 47 47 PRO CA C 47 66.527 66.527 65.719 0.808 19367 7828 1 18 . 1 1 47 47 PRO CB C 47 28.496 28.496 30.953 -2.457 19367 7829 1 18 . 1 1 48 48 ASP N N 48 116.654 116.654 119.362 -2.708 19367 7830 1 18 . 1 1 48 48 ASP HA H 48 4.384 4.384 4.545 -0.161 19367 7831 1 18 . 1 1 48 48 ASP CA C 48 57.268 57.268 57.294 -0.026 19367 7832 1 18 . 1 1 48 48 ASP CB C 48 40.657 40.657 40.834 -0.177 19367 7833 1 18 . 1 1 48 48 ASP H H 48 7.473 7.473 7.457 0.016 19367 7834 1 18 . 1 1 49 49 VAL N N 49 121.848 121.848 119.988 1.860 19367 7835 1 18 . 1 1 49 49 VAL HA H 49 3.364 3.364 3.736 -0.372 19367 7836 1 18 . 1 1 49 49 VAL CA C 49 66.354 66.354 64.564 1.790 19367 7837 1 18 . 1 1 49 49 VAL CB C 49 30.961 30.961 31.252 -0.291 19367 7838 1 18 . 1 1 49 49 VAL H H 49 7.600 7.600 7.780 -0.180 19367 7839 1 18 . 1 1 50 50 VAL N N 50 119.961 119.961 120.653 -0.692 19367 7840 1 18 . 1 1 50 50 VAL HA H 50 3.176 3.176 3.553 -0.377 19367 7841 1 18 . 1 1 50 50 VAL CA C 50 67.270 67.270 66.738 0.532 19367 7842 1 18 . 1 1 50 50 VAL CB C 50 31.662 31.662 31.500 0.163 19367 7843 1 18 . 1 1 50 50 VAL H H 50 8.567 8.567 8.480 0.087 19367 7844 1 18 . 1 1 51 51 GLN N N 51 116.203 116.203 118.535 -2.332 19367 7845 1 18 . 1 1 51 51 GLN HA H 51 4.204 4.204 4.215 -0.011 19367 7846 1 18 . 1 1 51 51 GLN CA C 51 59.334 59.334 58.514 0.820 19367 7847 1 18 . 1 1 51 51 GLN CB C 51 28.717 28.717 28.497 0.220 19367 7848 1 18 . 1 1 51 51 GLN H H 51 7.802 7.802 7.698 0.104 19367 7849 1 18 . 1 1 52 52 GLU N N 52 119.616 119.616 119.882 -0.266 19367 7850 1 18 . 1 1 52 52 GLU HA H 52 4.085 4.085 4.208 -0.123 19367 7851 1 18 . 1 1 52 52 GLU CA C 52 59.267 59.267 58.293 0.974 19367 7852 1 18 . 1 1 52 52 GLU CB C 52 29.178 29.178 29.558 -0.380 19367 7853 1 18 . 1 1 52 52 GLU H H 52 7.880 7.880 7.687 0.193 19367 7854 1 18 . 1 1 53 53 ALA N N 53 120.964 120.964 122.186 -1.222 19367 7855 1 18 . 1 1 53 53 ALA HA H 53 3.713 3.713 4.085 -0.372 19367 7856 1 18 . 1 1 53 53 ALA CA C 53 55.176 55.176 54.447 0.729 19367 7857 1 18 . 1 1 53 53 ALA CB C 53 16.573 16.573 18.279 -1.706 19367 7858 1 18 . 1 1 53 53 ALA H H 53 8.381 8.381 7.403 0.978 19367 7859 1 18 . 1 1 54 54 PHE N N 54 113.370 113.370 117.193 -3.823 19367 7860 1 18 . 1 1 54 54 PHE HA H 54 4.329 4.329 4.563 -0.234 19367 7861 1 18 . 1 1 54 54 PHE CA C 54 63.496 63.496 61.033 2.462 19367 7862 1 18 . 1 1 54 54 PHE CB C 54 39.097 39.097 39.238 -0.141 19367 7863 1 18 . 1 1 54 54 PHE H H 54 7.942 7.942 7.704 0.238 19367 7864 1 18 . 1 1 55 55 ILE N N 55 121.983 121.983 120.134 1.849 19367 7865 1 18 . 1 1 55 55 ILE HA H 55 3.946 3.946 3.916 0.030 19367 7866 1 18 . 1 1 55 55 ILE CA C 55 64.969 64.969 63.510 1.459 19367 7867 1 18 . 1 1 55 55 ILE CB C 55 37.589 37.589 37.666 -0.077 19367 7868 1 18 . 1 1 55 55 ILE H H 55 8.373 8.373 7.808 0.565 19367 7869 1 18 . 1 1 56 56 LYS N N 56 120.661 120.661 120.725 -0.064 19367 7870 1 18 . 1 1 56 56 LYS HA H 56 3.860 3.860 4.156 -0.296 19367 7871 1 18 . 1 1 56 56 LYS CA C 56 59.835 59.835 58.418 1.417 19367 7872 1 18 . 1 1 56 56 LYS CB C 56 31.904 31.904 31.961 -0.057 19367 7873 1 18 . 1 1 56 56 LYS H H 56 8.318 8.318 7.908 0.410 19367 7874 1 18 . 1 1 57 57 ALA N N 57 119.884 119.884 122.015 -2.131 19367 7875 1 18 . 1 1 57 57 ALA HA H 57 3.784 3.784 4.220 -0.436 19367 7876 1 18 . 1 1 57 57 ALA CA C 57 54.552 54.552 54.673 -0.122 19367 7877 1 18 . 1 1 57 57 ALA CB C 57 18.251 18.251 18.470 -0.219 19367 7878 1 18 . 1 1 57 57 ALA H H 57 7.937 7.937 7.515 0.422 19367 7879 1 18 . 1 1 58 58 TYR N N 58 116.541 116.541 119.786 -3.245 19367 7880 1 18 . 1 1 58 58 TYR HA H 58 3.549 3.549 3.759 -0.210 19367 7881 1 18 . 1 1 58 58 TYR CA C 58 61.528 61.528 61.336 0.192 19367 7882 1 18 . 1 1 58 58 TYR CB C 58 37.885 37.885 38.480 -0.595 19367 7883 1 18 . 1 1 58 58 TYR H H 58 8.404 8.404 8.239 0.165 19367 7884 1 18 . 1 1 59 59 ARG N N 59 116.321 116.321 116.750 -0.429 19367 7885 1 18 . 1 1 59 59 ARG HA H 59 3.791 3.791 4.195 -0.404 19367 7886 1 18 . 1 1 59 59 ARG CA C 59 58.500 58.500 57.262 1.238 19367 7887 1 18 . 1 1 59 59 ARG CB C 59 30.268 30.268 30.308 -0.040 19367 7888 1 18 . 1 1 59 59 ARG H H 59 8.404 8.404 7.804 0.600 19367 7889 1 18 . 1 1 60 60 ALA N N 60 118.867 118.867 120.556 -1.689 19367 7890 1 18 . 1 1 60 60 ALA HA H 60 4.879 4.879 4.554 0.325 19367 7891 1 18 . 1 1 60 60 ALA CA C 60 51.372 51.372 52.073 -0.701 19367 7892 1 18 . 1 1 60 60 ALA CB C 60 20.539 20.539 19.859 0.680 19367 7893 1 18 . 1 1 60 60 ALA H H 60 7.630 7.630 7.487 0.143 19367 7894 1 18 . 1 1 61 61 LEU N N 61 124.902 124.902 120.909 3.993 19367 7895 1 18 . 1 1 61 61 LEU HA H 61 4.094 4.094 4.083 0.011 19367 7896 1 18 . 1 1 61 61 LEU CA C 61 58.442 58.442 57.332 1.110 19367 7897 1 18 . 1 1 61 61 LEU CB C 61 42.290 42.290 42.119 0.171 19367 7898 1 18 . 1 1 61 61 LEU H H 61 7.598 7.598 8.201 -0.603 19367 7899 1 18 . 1 1 62 62 ASP N N 62 117.094 117.094 118.720 -1.626 19367 7900 1 18 . 1 1 62 62 ASP HA H 62 4.345 4.345 4.502 -0.157 19367 7901 1 18 . 1 1 62 62 ASP CA C 62 56.690 56.690 55.864 0.826 19367 7902 1 18 . 1 1 62 62 ASP CB C 62 39.812 39.812 40.619 -0.807 19367 7903 1 18 . 1 1 62 62 ASP H H 62 8.686 8.686 8.797 -0.111 19367 7904 1 18 . 1 1 63 63 SER N N 63 112.854 112.854 114.912 -2.058 19367 7905 1 18 . 1 1 63 63 SER HA H 63 4.554 4.554 4.526 0.028 19367 7906 1 18 . 1 1 63 63 SER CA C 63 58.052 58.052 57.240 0.812 19367 7907 1 18 . 1 1 63 63 SER CB C 63 64.719 64.719 64.424 0.295 19367 7908 1 18 . 1 1 63 63 SER H H 63 7.969 7.969 7.468 0.501 19367 7909 1 18 . 1 1 64 64 PHE N N 64 125.623 125.623 123.194 2.429 19367 7910 1 18 . 1 1 64 64 PHE HA H 64 4.238 4.238 4.009 0.229 19367 7911 1 18 . 1 1 64 64 PHE CA C 64 56.826 56.826 58.519 -1.693 19367 7912 1 18 . 1 1 64 64 PHE CB C 64 38.210 38.210 39.403 -1.193 19367 7913 1 18 . 1 1 64 64 PHE H H 64 7.383 7.383 7.321 0.062 19367 7914 1 18 . 1 1 65 65 ARG N N 65 133.273 133.273 123.971 9.302 19367 7915 1 18 . 1 1 65 65 ARG HA H 65 3.861 3.861 4.141 -0.280 19367 7916 1 18 . 1 1 65 65 ARG CA C 65 57.826 57.826 55.735 2.091 19367 7917 1 18 . 1 1 65 65 ARG CB C 65 31.054 31.054 30.531 0.523 19367 7918 1 18 . 1 1 65 65 ARG H H 65 10.968 10.968 8.077 2.891 19367 7919 1 18 . 1 1 66 66 GLY N N 66 103.283 103.283 107.653 -4.370 19367 7920 1 18 . 1 1 66 66 GLY CA C 66 46.309 46.309 45.624 0.685 19367 7921 1 18 . 1 1 66 66 GLY H H 66 5.673 5.673 6.568 -0.895 19367 7922 1 18 . 1 1 67 67 ASP N N 67 120.001 120.001 119.013 0.988 19367 7923 1 18 . 1 1 67 67 ASP HA H 67 4.551 4.551 4.560 -0.009 19367 7924 1 18 . 1 1 67 67 ASP CA C 67 55.488 55.488 55.543 -0.055 19367 7925 1 18 . 1 1 67 67 ASP CB C 67 40.655 40.655 41.062 -0.408 19367 7926 1 18 . 1 1 67 67 ASP H H 67 7.960 7.960 8.312 -0.352 19367 7927 1 18 . 1 1 68 68 SER N N 68 110.787 110.787 111.788 -1.001 19367 7928 1 18 . 1 1 68 68 SER HA H 68 4.633 4.633 4.666 -0.033 19367 7929 1 18 . 1 1 68 68 SER CA C 68 56.762 56.762 57.182 -0.420 19367 7930 1 18 . 1 1 68 68 SER CB C 68 67.439 67.439 64.641 2.798 19367 7931 1 18 . 1 1 68 68 SER H H 68 7.692 7.692 7.385 0.307 19367 7932 1 18 . 1 1 69 69 ALA N N 69 122.464 122.464 124.322 -1.858 19367 7933 1 18 . 1 1 69 69 ALA HA H 69 4.692 4.692 4.523 0.169 19367 7934 1 18 . 1 1 69 69 ALA CA C 69 52.674 52.674 52.570 0.104 19367 7935 1 18 . 1 1 69 69 ALA CB C 69 18.751 18.751 19.605 -0.854 19367 7936 1 18 . 1 1 69 69 ALA H H 69 9.726 9.726 8.818 0.908 19367 7937 1 18 . 1 1 70 70 PHE N N 70 127.188 127.188 122.121 5.067 19367 7938 1 18 . 1 1 70 70 PHE HA H 70 4.085 4.085 4.173 -0.088 19367 7939 1 18 . 1 1 70 70 PHE CA C 70 62.108 62.108 60.721 1.387 19367 7940 1 18 . 1 1 70 70 PHE CB C 70 39.054 39.054 39.631 -0.577 19367 7941 1 18 . 1 1 70 70 PHE H H 70 9.774 9.774 8.927 0.847 19367 7942 1 18 . 1 1 71 71 TYR N N 71 117.533 117.533 118.220 -0.687 19367 7943 1 18 . 1 1 71 71 TYR HA H 71 3.449 3.449 3.854 -0.405 19367 7944 1 18 . 1 1 71 71 TYR CA C 71 61.684 61.684 61.574 0.110 19367 7945 1 18 . 1 1 71 71 TYR CB C 71 37.072 37.072 37.878 -0.806 19367 7946 1 18 . 1 1 71 71 TYR H H 71 9.720 9.720 8.626 1.094 19367 7947 1 18 . 1 1 72 72 THR N N 72 114.574 114.574 116.509 -1.935 19367 7948 1 18 . 1 1 72 72 THR HA H 72 5.436 5.436 3.996 1.440 19367 7949 1 18 . 1 1 72 72 THR CA C 72 63.426 63.426 67.460 -4.034 19367 7950 1 18 . 1 1 72 72 THR CB C 72 68.762 68.762 68.376 0.386 19367 7951 1 18 . 1 1 72 72 THR H H 72 6.675 6.675 7.795 -1.120 19367 7952 1 18 . 1 1 73 73 TRP N N 73 123.561 123.561 122.334 1.227 19367 7953 1 18 . 1 1 73 73 TRP HA H 73 3.956 3.956 4.578 -0.622 19367 7954 1 18 . 1 1 73 73 TRP CA C 73 62.112 62.112 59.977 2.135 19367 7955 1 18 . 1 1 73 73 TRP CB C 73 28.971 28.971 29.582 -0.611 19367 7956 1 18 . 1 1 73 73 TRP H H 73 6.924 6.924 7.320 -0.396 19367 7957 1 18 . 1 1 74 74 LEU N N 74 118.760 118.760 121.289 -2.529 19367 7958 1 18 . 1 1 74 74 LEU HA H 74 2.960 2.960 3.413 -0.453 19367 7959 1 18 . 1 1 74 74 LEU CA C 74 57.105 57.105 56.935 0.170 19367 7960 1 18 . 1 1 74 74 LEU CB C 74 41.503 41.503 41.381 0.122 19367 7961 1 18 . 1 1 74 74 LEU H H 74 7.903 7.903 7.773 0.130 19367 7962 1 18 . 1 1 75 75 TYR N N 75 119.616 119.616 119.013 0.603 19367 7963 1 18 . 1 1 75 75 TYR HA H 75 2.928 2.928 3.774 -0.846 19367 7964 1 18 . 1 1 75 75 TYR CA C 75 60.187 60.187 61.568 -1.381 19367 7965 1 18 . 1 1 75 75 TYR CB C 75 37.987 37.987 38.120 -0.133 19367 7966 1 18 . 1 1 75 75 TYR H H 75 8.717 8.717 8.017 0.700 19367 7967 1 18 . 1 1 76 76 ARG N N 76 116.789 116.789 118.275 -1.486 19367 7968 1 18 . 1 1 76 76 ARG HA H 76 3.634 3.634 4.005 -0.371 19367 7969 1 18 . 1 1 76 76 ARG CA C 76 56.003 56.003 58.416 -2.413 19367 7970 1 18 . 1 1 76 76 ARG CB C 76 27.476 27.476 29.527 -2.051 19367 7971 1 18 . 1 1 76 76 ARG H H 76 6.809 6.809 7.509 -0.700 19367 7972 1 18 . 1 1 77 77 ILE N N 77 117.721 117.721 119.269 -1.548 19367 7973 1 18 . 1 1 77 77 ILE HA H 77 2.853 2.853 3.582 -0.729 19367 7974 1 18 . 1 1 77 77 ILE CA C 77 65.599 65.599 64.674 0.924 19367 7975 1 18 . 1 1 77 77 ILE CB C 77 36.937 36.937 37.140 -0.203 19367 7976 1 18 . 1 1 77 77 ILE H H 77 7.316 7.316 7.213 0.103 19367 7977 1 18 . 1 1 78 78 ALA N N 78 125.528 125.528 122.933 2.595 19367 7978 1 18 . 1 1 78 78 ALA HA H 78 3.369 3.369 3.848 -0.479 19367 7979 1 18 . 1 1 78 78 ALA CA C 78 55.876 55.876 54.890 0.986 19367 7980 1 18 . 1 1 78 78 ALA CB C 78 17.833 17.833 18.165 -0.332 19367 7981 1 18 . 1 1 78 78 ALA H H 78 8.788 8.788 7.484 1.304 19367 7982 1 18 . 1 1 79 79 VAL N N 79 117.392 117.392 117.357 0.035 19367 7983 1 18 . 1 1 79 79 VAL HA H 79 2.819 2.819 3.522 -0.703 19367 7984 1 18 . 1 1 79 79 VAL CA C 79 67.174 67.174 64.723 2.451 19367 7985 1 18 . 1 1 79 79 VAL CB C 79 31.642 31.642 31.801 -0.159 19367 7986 1 18 . 1 1 79 79 VAL H H 79 8.046 8.046 7.597 0.449 19367 7987 1 18 . 1 1 80 80 ASN N N 80 117.152 117.152 118.077 -0.925 19367 7988 1 18 . 1 1 80 80 ASN HA H 80 4.368 4.368 4.522 -0.154 19367 7989 1 18 . 1 1 80 80 ASN CA C 80 55.630 55.630 55.538 0.092 19367 7990 1 18 . 1 1 80 80 ASN CB C 80 36.752 36.752 38.417 -1.665 19367 7991 1 18 . 1 1 80 80 ASN H H 80 8.146 8.146 7.752 0.394 19367 7992 1 18 . 1 1 81 81 THR N N 81 119.140 119.140 117.843 1.297 19367 7993 1 18 . 1 1 81 81 THR HA H 81 3.795 3.795 3.973 -0.178 19367 7994 1 18 . 1 1 81 81 THR CA C 81 67.441 67.441 66.722 0.719 19367 7995 1 18 . 1 1 81 81 THR CB C 81 68.102 68.102 68.823 -0.721 19367 7996 1 18 . 1 1 81 81 THR H H 81 8.320 8.320 8.111 0.209 19367 7997 1 18 . 1 1 82 82 ALA N N 82 124.957 124.957 122.327 2.630 19367 7998 1 18 . 1 1 82 82 ALA HA H 82 3.789 3.789 4.051 -0.262 19367 7999 1 18 . 1 1 82 82 ALA CA C 82 55.415 55.415 54.682 0.733 19367 8000 1 18 . 1 1 82 82 ALA CB C 82 18.020 18.020 18.297 -0.277 19367 8001 1 18 . 1 1 82 82 ALA H H 82 8.037 8.037 7.703 0.334 19367 8002 1 18 . 1 1 83 83 LYS N N 83 116.190 116.190 117.523 -1.333 19367 8003 1 18 . 1 1 83 83 LYS HA H 83 3.815 3.815 4.032 -0.217 19367 8004 1 18 . 1 1 83 83 LYS CA C 83 60.160 60.160 58.705 1.455 19367 8005 1 18 . 1 1 83 83 LYS CB C 83 32.312 32.312 32.498 -0.186 19367 8006 1 18 . 1 1 83 83 LYS H H 83 8.314 8.314 7.494 0.820 19367 8007 1 18 . 1 1 84 84 ASN N N 84 117.083 117.083 117.928 -0.845 19367 8008 1 18 . 1 1 84 84 ASN HA H 84 4.486 4.486 4.481 0.005 19367 8009 1 18 . 1 1 84 84 ASN CA C 84 55.213 55.213 55.019 0.194 19367 8010 1 18 . 1 1 84 84 ASN CB C 84 38.461 38.461 38.469 -0.008 19367 8011 1 18 . 1 1 84 84 ASN H H 84 8.004 8.004 8.016 -0.012 19367 8012 1 18 . 1 1 85 85 TYR N N 85 122.935 122.935 120.765 2.170 19367 8013 1 18 . 1 1 85 85 TYR HA H 85 4.147 4.147 4.279 -0.132 19367 8014 1 18 . 1 1 85 85 TYR CA C 85 61.408 61.408 61.404 0.005 19367 8015 1 18 . 1 1 85 85 TYR CB C 85 38.428 38.428 38.715 -0.287 19367 8016 1 18 . 1 1 85 85 TYR H H 85 7.935 7.935 7.565 0.370 19367 8017 1 18 . 1 1 86 86 LEU N N 86 119.119 119.119 117.233 1.886 19367 8018 1 18 . 1 1 86 86 LEU HA H 86 3.998 3.998 4.062 -0.064 19367 8019 1 18 . 1 1 86 86 LEU CA C 86 57.647 57.647 57.103 0.544 19367 8020 1 18 . 1 1 86 86 LEU CB C 86 41.906 41.906 41.948 -0.042 19367 8021 1 18 . 1 1 86 86 LEU H H 86 7.810 7.810 7.416 0.394 19367 8022 1 18 . 1 1 87 87 VAL N N 87 118.991 118.991 113.864 5.127 19367 8023 1 18 . 1 1 87 87 VAL HA H 87 3.806 3.806 4.022 -0.216 19367 8024 1 18 . 1 1 87 87 VAL CA C 87 64.989 64.989 63.782 1.206 19367 8025 1 18 . 1 1 87 87 VAL CB C 87 32.126 32.126 30.861 1.265 19367 8026 1 18 . 1 1 87 87 VAL H H 87 7.701 7.701 7.217 0.484 19367 8027 1 18 . 1 1 88 88 ALA N N 88 123.643 123.643 122.703 0.940 19367 8028 1 18 . 1 1 88 88 ALA HA H 88 4.088 4.088 4.150 -0.062 19367 8029 1 18 . 1 1 88 88 ALA CA C 88 54.188 54.188 54.666 -0.478 19367 8030 1 18 . 1 1 88 88 ALA CB C 88 18.460 18.460 18.595 -0.135 19367 8031 1 18 . 1 1 88 88 ALA H H 88 7.978 7.978 7.471 0.507 19367 8032 1 18 . 1 1 89 89 GLN N N 89 116.659 116.659 116.466 0.193 19367 8033 1 18 . 1 1 89 89 GLN HA H 89 4.024 4.024 4.356 -0.332 19367 8034 1 18 . 1 1 89 89 GLN CA C 89 56.818 56.818 55.783 1.035 19367 8035 1 18 . 1 1 89 89 GLN CB C 89 28.776 28.776 29.122 -0.346 19367 8036 1 18 . 1 1 89 89 GLN H H 89 7.974 7.974 7.613 0.361 19367 8037 1 18 . 1 1 90 90 GLY N N 90 107.464 107.464 107.921 -0.457 19367 8038 1 18 . 1 1 90 90 GLY CA C 90 45.782 45.782 45.241 0.541 19367 8039 1 18 . 1 1 90 90 GLY H H 90 7.967 7.967 7.764 0.203 19367 8040 1 18 . 1 1 91 91 ARG N N 91 119.736 119.736 118.714 1.022 19367 8041 1 18 . 1 1 91 91 ARG HA H 91 4.299 4.299 4.630 -0.331 19367 8042 1 18 . 1 1 91 91 ARG CA C 91 56.216 56.216 53.211 3.005 19367 8043 1 18 . 1 1 91 91 ARG CB C 91 30.805 30.805 32.235 -1.430 19367 8044 1 18 . 1 1 91 91 ARG H H 91 7.824 7.824 7.285 0.539 19367 8045 1 18 . 1 1 92 92 ARG N N 92 120.592 120.592 118.742 1.850 19367 8046 1 18 . 1 1 92 92 ARG HA H 92 4.270 4.270 4.080 0.190 19367 8047 1 18 . 1 1 92 92 ARG CA C 92 56.451 56.451 57.897 -1.446 19367 8048 1 18 . 1 1 92 92 ARG CB C 92 30.658 30.658 29.250 1.408 19367 8049 1 18 . 1 1 92 92 ARG H H 92 8.038 8.038 8.821 -0.783 19367 8050 1 18 . 1 1 93 93 LEU N N 93 122.274 122.274 117.723 4.551 19367 8051 1 18 . 1 1 93 93 LEU HA H 93 4.258 4.258 4.481 -0.223 19367 8052 1 18 . 1 1 93 93 LEU CA C 93 55.463 55.463 53.878 1.585 19367 8053 1 18 . 1 1 93 93 LEU CB C 93 42.203 42.203 42.838 -0.635 19367 8054 1 18 . 1 1 93 93 LEU H H 93 8.147 8.147 7.915 0.232 19367 8055 1 18 . 1 1 94 94 GLU N N 94 120.794 120.794 119.700 1.094 19367 8056 1 18 . 1 1 94 94 GLU HA H 94 4.249 4.249 4.445 -0.196 19367 8057 1 18 . 1 1 94 94 GLU CA C 94 56.557 56.557 55.655 0.902 19367 8058 1 18 . 1 1 94 94 GLU CB C 94 30.103 30.103 30.285 -0.182 19367 8059 1 18 . 1 1 94 94 GLU H H 94 8.241 8.241 8.110 0.131 19367 8060 1 18 . 1 1 95 95 LEU N N 95 122.290 122.290 119.363 2.927 19367 8061 1 18 . 1 1 95 95 LEU HA H 95 4.312 4.312 4.049 0.263 19367 8062 1 18 . 1 1 95 95 LEU CA C 95 55.080 55.080 55.774 -0.694 19367 8063 1 18 . 1 1 95 95 LEU CB C 95 42.130 42.130 40.065 2.065 19367 8064 1 18 . 1 1 95 95 LEU H H 95 8.068 8.068 8.819 -0.751 19367 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 90 2.373 -0.099 2.385 19367 2 1 1 "Average Difference" HA 96 0.324 0.134 0.297 19367 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19367 4 1 1 "Average Difference" CA 92 1.112 -0.521 0.988 19367 5 1 1 "Average Difference" CB 88 0.841 0.217 0.817 19367 6 1 1 "Average Difference" HN 90 0.559 -0.230 0.512 19367 7 1 2 "Average Difference" N 90 2.378 -0.050 2.391 19367 8 1 2 "Average Difference" HA 96 0.324 0.132 0.298 19367 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19367 10 1 2 "Average Difference" CA 92 1.092 -0.534 0.958 19367 11 1 2 "Average Difference" CB 88 0.807 0.198 0.787 19367 12 1 2 "Average Difference" HN 90 0.568 -0.260 0.508 19367 13 1 3 "Average Difference" N 90 2.182 -0.071 2.193 19367 14 1 3 "Average Difference" HA 96 0.321 0.139 0.291 19367 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19367 16 1 3 "Average Difference" CA 92 1.198 -0.560 1.065 19367 17 1 3 "Average Difference" CB 88 0.816 0.179 0.801 19367 18 1 3 "Average Difference" HN 90 0.579 -0.252 0.524 19367 19 1 4 "Average Difference" N 90 2.233 -0.080 2.244 19367 20 1 4 "Average Difference" HA 96 0.326 0.127 0.301 19367 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19367 22 1 4 "Average Difference" CA 92 1.154 -0.562 1.013 19367 23 1 4 "Average Difference" CB 88 0.867 0.195 0.849 19367 24 1 4 "Average Difference" HN 90 0.573 -0.244 0.521 19367 25 1 5 "Average Difference" N 90 2.129 0.041 2.141 19367 26 1 5 "Average Difference" HA 96 0.317 0.125 0.293 19367 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19367 28 1 5 "Average Difference" CA 92 1.127 -0.462 1.033 19367 29 1 5 "Average Difference" CB 88 0.839 0.170 0.826 19367 30 1 5 "Average Difference" HN 90 0.583 -0.248 0.531 19367 31 1 6 "Average Difference" N 90 2.176 -0.052 2.188 19367 32 1 6 "Average Difference" HA 96 0.315 0.133 0.288 19367 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19367 34 1 6 "Average Difference" CA 92 1.135 -0.541 1.004 19367 35 1 6 "Average Difference" CB 88 0.827 0.181 0.812 19367 36 1 6 "Average Difference" HN 90 0.619 -0.280 0.555 19367 37 1 7 "Average Difference" N 90 2.264 -0.041 2.276 19367 38 1 7 "Average Difference" HA 96 0.323 0.132 0.296 19367 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19367 40 1 7 "Average Difference" CA 92 1.098 -0.522 0.971 19367 41 1 7 "Average Difference" CB 88 0.860 0.217 0.837 19367 42 1 7 "Average Difference" HN 90 0.600 -0.253 0.547 19367 43 1 8 "Average Difference" N 90 2.110 0.168 2.115 19367 44 1 8 "Average Difference" HA 96 0.328 0.131 0.302 19367 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19367 46 1 8 "Average Difference" CA 92 1.144 -0.651 0.945 19367 47 1 8 "Average Difference" CB 88 0.841 0.282 0.797 19367 48 1 8 "Average Difference" HN 90 0.592 -0.220 0.553 19367 49 1 9 "Average Difference" N 90 2.423 -0.175 2.430 19367 50 1 9 "Average Difference" HA 96 0.327 0.128 0.302 19367 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19367 52 1 9 "Average Difference" CA 92 1.111 -0.568 0.960 19367 53 1 9 "Average Difference" CB 88 0.848 0.170 0.835 19367 54 1 9 "Average Difference" HN 90 0.577 -0.253 0.522 19367 55 1 10 "Average Difference" N 90 2.232 -0.079 2.243 19367 56 1 10 "Average Difference" HA 96 0.320 0.127 0.296 19367 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19367 58 1 10 "Average Difference" CA 92 1.170 -0.554 1.036 19367 59 1 10 "Average Difference" CB 88 0.801 0.213 0.777 19367 60 1 10 "Average Difference" HN 90 0.588 -0.257 0.532 19367 61 1 11 "Average Difference" N 90 2.345 -0.103 2.356 19367 62 1 11 "Average Difference" HA 96 0.324 0.128 0.299 19367 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19367 64 1 11 "Average Difference" CA 92 1.138 -0.532 1.011 19367 65 1 11 "Average Difference" CB 88 0.907 0.228 0.882 19367 66 1 11 "Average Difference" HN 90 0.584 -0.234 0.538 19367 67 1 12 "Average Difference" N 90 2.199 0.011 2.211 19367 68 1 12 "Average Difference" HA 96 0.319 0.110 0.301 19367 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19367 70 1 12 "Average Difference" CA 92 1.114 -0.562 0.967 19367 71 1 12 "Average Difference" CB 88 0.815 0.144 0.807 19367 72 1 12 "Average Difference" HN 90 0.586 -0.233 0.541 19367 73 1 13 "Average Difference" N 90 2.365 -0.182 2.371 19367 74 1 13 "Average Difference" HA 96 0.328 0.132 0.302 19367 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19367 76 1 13 "Average Difference" CA 92 1.151 -0.575 1.003 19367 77 1 13 "Average Difference" CB 88 0.834 0.258 0.798 19367 78 1 13 "Average Difference" HN 90 0.577 -0.238 0.529 19367 79 1 14 "Average Difference" N 90 2.071 0.021 2.082 19367 80 1 14 "Average Difference" HA 96 0.324 0.130 0.298 19367 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19367 82 1 14 "Average Difference" CA 92 1.137 -0.534 1.010 19367 83 1 14 "Average Difference" CB 88 0.890 0.226 0.866 19367 84 1 14 "Average Difference" HN 90 0.599 -0.236 0.553 19367 85 1 15 "Average Difference" N 90 2.095 0.076 2.105 19367 86 1 15 "Average Difference" HA 96 0.320 0.126 0.296 19367 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19367 88 1 15 "Average Difference" CA 92 1.167 -0.585 1.015 19367 89 1 15 "Average Difference" CB 88 0.870 0.240 0.840 19367 90 1 15 "Average Difference" HN 90 0.589 -0.219 0.550 19367 91 1 16 "Average Difference" N 90 2.077 -0.096 2.086 19367 92 1 16 "Average Difference" HA 96 0.324 0.123 0.302 19367 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19367 94 1 16 "Average Difference" CA 92 1.150 -0.568 1.005 19367 95 1 16 "Average Difference" CB 88 0.839 0.195 0.821 19367 96 1 16 "Average Difference" HN 90 0.597 -0.245 0.547 19367 97 1 17 "Average Difference" N 90 2.273 -0.124 2.282 19367 98 1 17 "Average Difference" HA 96 0.321 0.115 0.301 19367 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19367 100 1 17 "Average Difference" CA 92 1.111 -0.578 0.953 19367 101 1 17 "Average Difference" CB 88 0.848 0.152 0.839 19367 102 1 17 "Average Difference" HN 90 0.613 -0.233 0.570 19367 103 1 18 "Average Difference" N 90 2.266 -0.087 2.277 19367 104 1 18 "Average Difference" HA 96 0.320 0.119 0.299 19367 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19367 106 1 18 "Average Difference" CA 92 1.181 -0.545 1.053 19367 107 1 18 "Average Difference" CB 88 0.855 0.140 0.848 19367 108 1 18 "Average Difference" HN 90 0.595 -0.238 0.549 19367 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 19367 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 4 4 GLN N N 4 121.848 121.848 118.493 3.355 19367 2 1 . 1 1 4 4 GLN HA H 4 4.307 4.307 4.414 -0.107 19367 3 1 . 1 1 4 4 GLN CA C 4 55.724 55.724 55.466 0.258 19367 4 1 . 1 1 4 4 GLN CB C 4 29.297 29.297 29.742 -0.445 19367 5 1 . 1 1 4 4 GLN H H 4 8.500 8.500 8.180 0.320 19367 6 1 . 1 1 5 5 LEU N N 5 124.347 124.347 122.855 1.493 19367 7 1 . 1 1 5 5 LEU HA H 5 4.548 4.548 4.551 -0.003 19367 8 1 . 1 1 5 5 LEU CA C 5 53.785 53.785 54.225 -0.440 19367 9 1 . 1 1 5 5 LEU CB C 5 41.886 41.886 40.576 1.310 19367 10 1 . 1 1 5 5 LEU H H 5 8.565 8.565 8.506 0.059 19367 11 1 . 1 1 6 6 THR N N 6 114.442 114.442 112.587 1.855 19367 12 1 . 1 1 6 6 THR HA H 6 4.353 4.353 4.274 0.079 19367 13 1 . 1 1 6 6 THR CA C 6 61.195 61.195 61.452 -0.257 19367 14 1 . 1 1 6 6 THR CB C 6 70.541 70.541 70.374 0.166 19367 15 1 . 1 1 6 6 THR H H 6 7.950 7.950 7.693 0.257 19367 16 1 . 1 1 7 7 ASP N N 7 120.959 120.959 118.806 2.153 19367 17 1 . 1 1 7 7 ASP HA H 7 4.197 4.197 4.303 -0.106 19367 18 1 . 1 1 7 7 ASP CA C 7 57.820 57.820 57.121 0.699 19367 19 1 . 1 1 7 7 ASP CB C 7 39.621 39.621 40.236 -0.615 19367 20 1 . 1 1 7 7 ASP H H 7 9.008 9.008 9.027 -0.019 19367 21 1 . 1 1 8 8 GLN N N 8 116.649 116.649 119.574 -2.925 19367 22 1 . 1 1 8 8 GLN HA H 8 4.012 4.012 4.202 -0.190 19367 23 1 . 1 1 8 8 GLN CA C 8 59.746 59.746 58.551 1.195 19367 24 1 . 1 1 8 8 GLN CB C 8 28.188 28.188 28.878 -0.690 19367 25 1 . 1 1 8 8 GLN H H 8 8.561 8.561 7.580 0.981 19367 26 1 . 1 1 9 9 VAL N N 9 120.579 120.579 118.963 1.616 19367 27 1 . 1 1 9 9 VAL HA H 9 3.760 3.760 4.133 -0.373 19367 28 1 . 1 1 9 9 VAL CA C 9 66.108 66.108 64.154 1.954 19367 29 1 . 1 1 9 9 VAL CB C 9 31.558 31.558 31.696 -0.138 19367 30 1 . 1 1 9 9 VAL H H 9 7.450 7.450 7.520 -0.070 19367 31 1 . 1 1 10 10 LEU N N 10 119.806 119.806 121.210 -1.404 19367 32 1 . 1 1 10 10 LEU HA H 10 3.917 3.917 4.191 -0.274 19367 33 1 . 1 1 10 10 LEU CA C 10 58.415 58.415 57.675 0.740 19367 34 1 . 1 1 10 10 LEU CB C 10 41.299 41.299 41.809 -0.510 19367 35 1 . 1 1 10 10 LEU H H 10 7.865 7.865 7.718 0.147 19367 36 1 . 1 1 11 11 VAL N N 11 119.041 119.041 118.672 0.369 19367 37 1 . 1 1 11 11 VAL HA H 11 3.280 3.280 3.525 -0.245 19367 38 1 . 1 1 11 11 VAL CA C 11 67.631 67.631 66.562 1.069 19367 39 1 . 1 1 11 11 VAL CB C 11 31.723 31.723 31.463 0.260 19367 40 1 . 1 1 11 11 VAL H H 11 8.734 8.734 7.678 1.056 19367 41 1 . 1 1 12 12 GLU N N 12 119.018 119.018 119.038 -0.020 19367 42 1 . 1 1 12 12 GLU HA H 12 4.110 4.110 4.089 0.021 19367 43 1 . 1 1 12 12 GLU CA C 12 59.514 59.514 58.837 0.677 19367 44 1 . 1 1 12 12 GLU CB C 12 28.603 28.603 29.168 -0.565 19367 45 1 . 1 1 12 12 GLU H H 12 7.802 7.802 7.621 0.181 19367 46 1 . 1 1 13 13 ARG N N 13 117.242 117.242 119.931 -2.689 19367 47 1 . 1 1 13 13 ARG HA H 13 4.011 4.011 4.148 -0.138 19367 48 1 . 1 1 13 13 ARG CA C 13 60.016 60.016 59.026 0.990 19367 49 1 . 1 1 13 13 ARG CB C 13 27.737 27.737 30.223 -2.486 19367 50 1 . 1 1 13 13 ARG H H 13 8.107 8.107 7.685 0.422 19367 51 1 . 1 1 14 14 VAL N N 14 121.430 121.430 119.286 2.144 19367 52 1 . 1 1 14 14 VAL HA H 14 3.767 3.767 4.127 -0.360 19367 53 1 . 1 1 14 14 VAL CA C 14 66.462 66.462 65.627 0.835 19367 54 1 . 1 1 14 14 VAL CB C 14 31.616 31.616 31.973 -0.357 19367 55 1 . 1 1 14 14 VAL H H 14 8.435 8.435 7.524 0.911 19367 56 1 . 1 1 15 15 GLN N N 15 120.667 120.667 118.871 1.796 19367 57 1 . 1 1 15 15 GLN HA H 15 4.088 4.088 4.113 -0.025 19367 58 1 . 1 1 15 15 GLN CA C 15 58.628 58.628 58.106 0.522 19367 59 1 . 1 1 15 15 GLN CB C 15 27.995 27.995 28.432 -0.437 19367 60 1 . 1 1 15 15 GLN H H 15 8.670 8.670 7.712 0.958 19367 61 1 . 1 1 16 16 LYS N N 16 116.797 116.797 117.970 -1.173 19367 62 1 . 1 1 16 16 LYS HA H 16 4.374 4.374 4.283 0.091 19367 63 1 . 1 1 16 16 LYS CA C 16 56.278 56.278 56.216 0.062 19367 64 1 . 1 1 16 16 LYS CB C 16 32.299 32.299 32.447 -0.148 19367 65 1 . 1 1 16 16 LYS H H 16 7.700 7.700 7.578 0.122 19367 66 1 . 1 1 17 17 GLY N N 17 107.001 107.001 107.865 -0.864 19367 67 1 . 1 1 17 17 GLY CA C 17 45.608 45.608 44.920 0.688 19367 68 1 . 1 1 17 17 GLY H H 17 7.927 7.927 7.765 0.162 19367 69 1 . 1 1 18 18 ASP N N 18 121.666 121.666 121.774 -0.108 19367 70 1 . 1 1 18 18 ASP HA H 18 4.769 4.769 4.718 0.051 19367 71 1 . 1 1 18 18 ASP CA C 18 52.999 52.999 53.861 -0.861 19367 72 1 . 1 1 18 18 ASP CB C 18 40.814 40.814 41.387 -0.573 19367 73 1 . 1 1 18 18 ASP H H 18 8.255 8.255 7.617 0.638 19367 74 1 . 1 1 19 19 GLN N N 19 124.874 124.874 125.923 -1.049 19367 75 1 . 1 1 19 19 GLN HA H 19 4.150 4.150 4.354 -0.204 19367 76 1 . 1 1 19 19 GLN CA C 19 58.922 58.922 58.062 0.861 19367 77 1 . 1 1 19 19 GLN CB C 19 28.759 28.759 29.005 -0.246 19367 78 1 . 1 1 19 19 GLN H H 19 8.392 8.392 8.717 -0.325 19367 79 1 . 1 1 20 20 LYS N N 20 119.006 119.006 119.092 -0.086 19367 80 1 . 1 1 20 20 LYS HA H 20 4.118 4.118 4.183 -0.065 19367 81 1 . 1 1 20 20 LYS CA C 20 58.642 58.642 58.108 0.534 19367 82 1 . 1 1 20 20 LYS CB C 20 31.678 31.678 32.098 -0.420 19367 83 1 . 1 1 20 20 LYS H H 20 8.348 8.348 8.224 0.124 19367 84 1 . 1 1 21 21 ALA N N 21 121.687 121.687 121.873 -0.186 19367 85 1 . 1 1 21 21 ALA HA H 21 4.010 4.010 4.173 -0.163 19367 86 1 . 1 1 21 21 ALA CA C 21 54.485 54.485 54.787 -0.302 19367 87 1 . 1 1 21 21 ALA CB C 21 18.634 18.634 18.226 0.408 19367 88 1 . 1 1 21 21 ALA H H 21 7.500 7.500 8.237 -0.737 19367 89 1 . 1 1 22 22 PHE N N 22 117.219 117.219 118.656 -1.437 19367 90 1 . 1 1 22 22 PHE HA H 22 3.994 3.994 4.262 -0.268 19367 91 1 . 1 1 22 22 PHE CA C 22 61.907 61.907 60.673 1.234 19367 92 1 . 1 1 22 22 PHE CB C 22 38.571 38.571 39.637 -1.066 19367 93 1 . 1 1 22 22 PHE H H 22 7.810 7.810 7.683 0.127 19367 94 1 . 1 1 23 23 ASN N N 23 115.600 115.600 118.959 -3.359 19367 95 1 . 1 1 23 23 ASN HA H 23 4.163 4.163 4.311 -0.148 19367 96 1 . 1 1 23 23 ASN CA C 23 56.264 56.264 56.475 -0.211 19367 97 1 . 1 1 23 23 ASN CB C 23 38.131 38.131 38.449 -0.318 19367 98 1 . 1 1 23 23 ASN H H 23 7.711 7.711 7.829 -0.118 19367 99 1 . 1 1 24 24 LEU N N 24 117.605 117.605 119.389 -1.784 19367 100 1 . 1 1 24 24 LEU HA H 24 3.999 3.999 4.131 -0.132 19367 101 1 . 1 1 24 24 LEU CA C 24 57.811 57.811 57.178 0.634 19367 102 1 . 1 1 24 24 LEU CB C 24 41.367 41.367 41.105 0.262 19367 103 1 . 1 1 24 24 LEU H H 24 7.344 7.344 7.601 -0.257 19367 104 1 . 1 1 25 25 LEU N N 25 120.426 120.426 120.645 -0.219 19367 105 1 . 1 1 25 25 LEU HA H 25 3.938 3.938 4.052 -0.114 19367 106 1 . 1 1 25 25 LEU CA C 25 57.863 57.863 57.338 0.525 19367 107 1 . 1 1 25 25 LEU CB C 25 41.479 41.479 41.602 -0.123 19367 108 1 . 1 1 25 25 LEU H H 25 7.036 7.036 7.260 -0.224 19367 109 1 . 1 1 26 26 VAL N N 26 119.676 119.676 119.362 0.314 19367 110 1 . 1 1 26 26 VAL HA H 26 2.857 2.857 2.728 0.129 19367 111 1 . 1 1 26 26 VAL CA C 26 65.821 65.821 66.441 -0.620 19367 112 1 . 1 1 26 26 VAL CB C 26 30.816 30.816 30.952 -0.136 19367 113 1 . 1 1 26 26 VAL H H 26 7.369 7.369 7.639 -0.270 19367 114 1 . 1 1 27 27 VAL N N 27 117.098 117.098 117.694 -0.596 19367 115 1 . 1 1 27 27 VAL HA H 27 3.542 3.542 3.582 -0.040 19367 116 1 . 1 1 27 27 VAL CA C 27 65.837 65.837 65.599 0.238 19367 117 1 . 1 1 27 27 VAL CB C 27 31.728 31.728 31.206 0.522 19367 118 1 . 1 1 27 27 VAL H H 27 7.816 7.816 7.535 0.281 19367 119 1 . 1 1 28 28 ARG N N 28 118.592 118.592 119.101 -0.509 19367 120 1 . 1 1 28 28 ARG HA H 28 3.838 3.838 3.986 -0.148 19367 121 1 . 1 1 28 28 ARG CA C 28 59.356 59.356 58.526 0.830 19367 122 1 . 1 1 28 28 ARG CB C 28 31.069 31.069 30.236 0.833 19367 123 1 . 1 1 28 28 ARG H H 28 7.491 7.491 7.386 0.105 19367 124 1 . 1 1 29 29 TYR N N 29 112.635 112.635 116.201 -3.566 19367 125 1 . 1 1 29 29 TYR HA H 29 4.945 4.945 4.875 0.070 19367 126 1 . 1 1 29 29 TYR CA C 29 60.438 60.438 58.013 2.425 19367 127 1 . 1 1 29 29 TYR CB C 29 40.619 40.619 39.721 0.898 19367 128 1 . 1 1 29 29 TYR H H 29 7.675 7.675 7.486 0.189 19367 129 1 . 1 1 30 30 GLN N N 30 123.043 123.043 121.436 1.607 19367 130 1 . 1 1 30 30 GLN HA H 30 4.119 4.119 4.327 -0.208 19367 131 1 . 1 1 30 30 GLN CA C 30 61.409 61.409 59.702 1.707 19367 132 1 . 1 1 30 30 GLN CB C 30 26.933 26.933 28.089 -1.156 19367 133 1 . 1 1 30 30 GLN H H 30 9.056 9.056 8.224 0.832 19367 134 1 . 1 1 31 31 HIS N N 31 118.704 118.704 117.263 1.441 19367 135 1 . 1 1 31 31 HIS HA H 31 4.435 4.435 4.564 -0.129 19367 136 1 . 1 1 31 31 HIS CA C 31 59.580 59.580 58.324 1.256 19367 137 1 . 1 1 31 31 HIS CB C 31 29.396 29.396 29.840 -0.444 19367 138 1 . 1 1 31 31 HIS H H 31 8.616 8.616 8.558 0.058 19367 139 1 . 1 1 32 32 LYS N N 32 122.594 122.594 120.379 2.215 19367 140 1 . 1 1 32 32 LYS HA H 32 4.029 4.029 4.173 -0.144 19367 141 1 . 1 1 32 32 LYS CA C 32 59.869 59.869 58.964 0.905 19367 142 1 . 1 1 32 32 LYS CB C 32 32.580 32.580 32.581 -0.001 19367 143 1 . 1 1 32 32 LYS H H 32 7.848 7.848 7.430 0.419 19367 144 1 . 1 1 33 33 VAL N N 33 119.621 119.621 119.534 0.087 19367 145 1 . 1 1 33 33 VAL HA H 33 3.480 3.480 3.854 -0.374 19367 146 1 . 1 1 33 33 VAL CA C 33 66.671 66.671 64.392 2.279 19367 147 1 . 1 1 33 33 VAL CB C 33 31.142 31.142 31.713 -0.571 19367 148 1 . 1 1 33 33 VAL H H 33 8.653 8.653 8.621 0.032 19367 149 1 . 1 1 34 34 ALA N N 34 122.622 122.622 121.658 0.964 19367 150 1 . 1 1 34 34 ALA HA H 34 3.736 3.736 4.074 -0.338 19367 151 1 . 1 1 34 34 ALA CA C 34 55.762 55.762 55.007 0.755 19367 152 1 . 1 1 34 34 ALA CB C 34 17.681 17.681 18.191 -0.510 19367 153 1 . 1 1 34 34 ALA H H 34 8.498 8.498 7.732 0.766 19367 154 1 . 1 1 35 35 SER N N 35 113.674 113.674 113.970 -0.296 19367 155 1 . 1 1 35 35 SER HA H 35 4.040 4.040 4.268 -0.228 19367 156 1 . 1 1 35 35 SER CA C 35 61.765 61.765 60.987 0.778 19367 157 1 . 1 1 35 35 SER CB C 35 62.766 62.766 63.251 -0.485 19367 158 1 . 1 1 35 35 SER H H 35 7.897 7.897 7.608 0.289 19367 159 1 . 1 1 36 36 LEU N N 36 123.203 123.203 122.380 0.823 19367 160 1 . 1 1 36 36 LEU HA H 36 3.992 3.992 4.250 -0.258 19367 161 1 . 1 1 36 36 LEU CA C 36 57.863 57.863 57.409 0.454 19367 162 1 . 1 1 36 36 LEU CB C 36 42.718 42.718 42.003 0.715 19367 163 1 . 1 1 36 36 LEU H H 36 7.494 7.494 7.238 0.256 19367 164 1 . 1 1 37 37 VAL N N 37 114.122 114.122 115.457 -1.335 19367 165 1 . 1 1 37 37 VAL HA H 37 3.627 3.627 4.056 -0.429 19367 166 1 . 1 1 37 37 VAL CA C 37 65.879 65.879 65.207 0.672 19367 167 1 . 1 1 37 37 VAL CB C 37 31.214 31.214 30.989 0.225 19367 168 1 . 1 1 37 37 VAL H H 37 8.530 8.530 8.245 0.285 19367 169 1 . 1 1 38 38 SER N N 38 116.259 116.259 115.674 0.585 19367 170 1 . 1 1 38 38 SER HA H 38 4.276 4.276 4.327 -0.051 19367 171 1 . 1 1 38 38 SER CA C 38 60.898 60.898 60.317 0.581 19367 172 1 . 1 1 38 38 SER CB C 38 63.143 63.143 62.963 0.180 19367 173 1 . 1 1 38 38 SER H H 38 8.136 8.136 7.687 0.449 19367 174 1 . 1 1 39 39 ARG N N 39 119.029 119.029 118.698 0.331 19367 175 1 . 1 1 39 39 ARG HA H 39 3.995 3.995 3.966 0.029 19367 176 1 . 1 1 39 39 ARG CA C 39 57.640 57.640 57.538 0.102 19367 177 1 . 1 1 39 39 ARG CB C 39 29.719 29.719 30.085 -0.366 19367 178 1 . 1 1 39 39 ARG H H 39 7.310 7.310 7.279 0.031 19367 179 1 . 1 1 40 40 TYR N N 40 114.123 114.123 115.379 -1.256 19367 180 1 . 1 1 40 40 TYR HA H 40 4.472 4.472 4.687 -0.215 19367 181 1 . 1 1 40 40 TYR CA C 40 59.298 59.298 57.924 1.374 19367 182 1 . 1 1 40 40 TYR CB C 40 42.809 42.809 41.059 1.750 19367 183 1 . 1 1 40 40 TYR H H 40 7.786 7.786 7.763 0.023 19367 184 1 . 1 1 41 41 VAL N N 41 112.721 112.721 114.178 -1.457 19367 185 1 . 1 1 41 41 VAL HA H 41 4.853 4.853 4.736 0.117 19367 186 1 . 1 1 41 41 VAL CA C 41 57.942 57.942 58.209 -0.267 19367 187 1 . 1 1 41 41 VAL CB C 41 33.171 33.171 33.490 -0.319 19367 188 1 . 1 1 41 41 VAL H H 41 7.388 7.388 7.777 -0.389 19367 189 1 . 1 1 42 42 PRO HA H 42 4.415 4.415 4.696 -0.281 19367 190 1 . 1 1 42 42 PRO CA C 42 62.645 62.645 62.844 -0.199 19367 191 1 . 1 1 42 42 PRO CB C 42 32.603 32.603 32.658 -0.055 19367 192 1 . 1 1 43 43 SER N N 43 116.784 116.784 116.218 0.566 19367 193 1 . 1 1 43 43 SER HA H 43 4.009 4.009 4.187 -0.178 19367 194 1 . 1 1 43 43 SER CA C 43 62.098 62.098 60.202 1.896 19367 195 1 . 1 1 43 43 SER CB C 43 62.862 62.862 62.766 0.096 19367 196 1 . 1 1 43 43 SER H H 43 8.602 8.602 8.525 0.077 19367 197 1 . 1 1 44 44 GLY N N 44 107.756 107.756 108.665 -0.909 19367 198 1 . 1 1 44 44 GLY CA C 44 46.503 46.503 45.625 0.878 19367 199 1 . 1 1 44 44 GLY H H 44 8.812 8.812 8.193 0.619 19367 200 1 . 1 1 45 45 ASP N N 45 117.822 117.822 119.903 -2.081 19367 201 1 . 1 1 45 45 ASP HA H 45 4.875 4.875 4.834 0.041 19367 202 1 . 1 1 45 45 ASP CA C 45 54.770 54.770 54.011 0.759 19367 203 1 . 1 1 45 45 ASP CB C 45 42.593 42.593 42.338 0.255 19367 204 1 . 1 1 45 45 ASP H H 45 7.764 7.764 8.023 -0.259 19367 205 1 . 1 1 46 46 VAL N N 46 119.385 119.385 121.931 -2.546 19367 206 1 . 1 1 46 46 VAL HA H 46 3.233 3.233 3.750 -0.517 19367 207 1 . 1 1 46 46 VAL CA C 46 68.546 68.546 68.491 0.055 19367 208 1 . 1 1 46 46 VAL CB C 46 29.851 29.851 29.362 0.489 19367 209 1 . 1 1 46 46 VAL H H 46 7.148 7.148 7.501 -0.353 19367 210 1 . 1 1 47 47 PRO HA H 47 4.113 4.113 4.275 -0.162 19367 211 1 . 1 1 47 47 PRO CA C 47 66.527 66.527 65.879 0.648 19367 212 1 . 1 1 47 47 PRO CB C 47 28.496 28.496 31.206 -2.710 19367 213 1 . 1 1 48 48 ASP N N 48 116.654 116.654 118.667 -2.013 19367 214 1 . 1 1 48 48 ASP HA H 48 4.384 4.384 4.518 -0.134 19367 215 1 . 1 1 48 48 ASP CA C 48 57.268 57.268 56.774 0.494 19367 216 1 . 1 1 48 48 ASP CB C 48 40.657 40.657 40.879 -0.221 19367 217 1 . 1 1 48 48 ASP H H 48 7.473 7.473 7.544 -0.071 19367 218 1 . 1 1 49 49 VAL N N 49 121.848 121.848 119.983 1.865 19367 219 1 . 1 1 49 49 VAL HA H 49 3.364 3.364 3.672 -0.308 19367 220 1 . 1 1 49 49 VAL CA C 49 66.354 66.354 65.446 0.908 19367 221 1 . 1 1 49 49 VAL CB C 49 30.961 30.961 31.653 -0.692 19367 222 1 . 1 1 49 49 VAL H H 49 7.600 7.600 7.684 -0.084 19367 223 1 . 1 1 50 50 VAL N N 50 119.961 119.961 120.286 -0.325 19367 224 1 . 1 1 50 50 VAL HA H 50 3.176 3.176 3.547 -0.371 19367 225 1 . 1 1 50 50 VAL CA C 50 67.270 67.270 66.669 0.601 19367 226 1 . 1 1 50 50 VAL CB C 50 31.662 31.662 31.551 0.111 19367 227 1 . 1 1 50 50 VAL H H 50 8.567 8.567 8.455 0.112 19367 228 1 . 1 1 51 51 GLN N N 51 116.203 116.203 118.533 -2.330 19367 229 1 . 1 1 51 51 GLN HA H 51 4.204 4.204 4.227 -0.023 19367 230 1 . 1 1 51 51 GLN CA C 51 59.334 59.334 58.729 0.605 19367 231 1 . 1 1 51 51 GLN CB C 51 28.717 28.717 28.479 0.238 19367 232 1 . 1 1 51 51 GLN H H 51 7.802 7.802 7.723 0.079 19367 233 1 . 1 1 52 52 GLU N N 52 119.616 119.616 120.028 -0.412 19367 234 1 . 1 1 52 52 GLU HA H 52 4.085 4.085 4.194 -0.109 19367 235 1 . 1 1 52 52 GLU CA C 52 59.267 59.267 58.307 0.960 19367 236 1 . 1 1 52 52 GLU CB C 52 29.178 29.178 29.513 -0.335 19367 237 1 . 1 1 52 52 GLU H H 52 7.880 7.880 7.704 0.176 19367 238 1 . 1 1 53 53 ALA N N 53 120.964 120.964 122.052 -1.088 19367 239 1 . 1 1 53 53 ALA HA H 53 3.713 3.713 4.108 -0.395 19367 240 1 . 1 1 53 53 ALA CA C 53 55.176 55.176 54.373 0.803 19367 241 1 . 1 1 53 53 ALA CB C 53 16.573 16.573 18.298 -1.725 19367 242 1 . 1 1 53 53 ALA H H 53 8.381 8.381 7.435 0.946 19367 243 1 . 1 1 54 54 PHE N N 54 113.370 113.370 117.404 -4.034 19367 244 1 . 1 1 54 54 PHE HA H 54 4.329 4.329 4.575 -0.246 19367 245 1 . 1 1 54 54 PHE CA C 54 63.496 63.496 61.074 2.422 19367 246 1 . 1 1 54 54 PHE CB C 54 39.097 39.097 39.268 -0.171 19367 247 1 . 1 1 54 54 PHE H H 54 7.942 7.942 7.805 0.137 19367 248 1 . 1 1 55 55 ILE N N 55 121.983 121.983 120.052 1.931 19367 249 1 . 1 1 55 55 ILE HA H 55 3.946 3.946 3.935 0.011 19367 250 1 . 1 1 55 55 ILE CA C 55 64.969 64.969 63.372 1.597 19367 251 1 . 1 1 55 55 ILE CB C 55 37.589 37.589 37.636 -0.047 19367 252 1 . 1 1 55 55 ILE H H 55 8.373 8.373 7.907 0.466 19367 253 1 . 1 1 56 56 LYS N N 56 120.661 120.661 120.770 -0.109 19367 254 1 . 1 1 56 56 LYS HA H 56 3.860 3.860 4.142 -0.282 19367 255 1 . 1 1 56 56 LYS CA C 56 59.835 59.835 58.489 1.346 19367 256 1 . 1 1 56 56 LYS CB C 56 31.904 31.904 31.977 -0.073 19367 257 1 . 1 1 56 56 LYS H H 56 8.318 8.318 7.891 0.427 19367 258 1 . 1 1 57 57 ALA N N 57 119.884 119.884 121.958 -2.074 19367 259 1 . 1 1 57 57 ALA HA H 57 3.784 3.784 4.216 -0.432 19367 260 1 . 1 1 57 57 ALA CA C 57 54.552 54.552 54.693 -0.141 19367 261 1 . 1 1 57 57 ALA CB C 57 18.251 18.251 18.476 -0.225 19367 262 1 . 1 1 57 57 ALA H H 57 7.937 7.937 7.526 0.411 19367 263 1 . 1 1 58 58 TYR N N 58 116.541 116.541 119.796 -3.255 19367 264 1 . 1 1 58 58 TYR HA H 58 3.549 3.549 3.716 -0.167 19367 265 1 . 1 1 58 58 TYR CA C 58 61.528 61.528 61.269 0.259 19367 266 1 . 1 1 58 58 TYR CB C 58 37.885 37.885 38.447 -0.562 19367 267 1 . 1 1 58 58 TYR H H 58 8.404 8.404 8.167 0.237 19367 268 1 . 1 1 59 59 ARG N N 59 116.321 116.321 116.347 -0.026 19367 269 1 . 1 1 59 59 ARG HA H 59 3.791 3.791 4.159 -0.368 19367 270 1 . 1 1 59 59 ARG CA C 59 58.500 58.500 57.099 1.400 19367 271 1 . 1 1 59 59 ARG CB C 59 30.268 30.268 30.353 -0.085 19367 272 1 . 1 1 59 59 ARG H H 59 8.404 8.404 7.749 0.655 19367 273 1 . 1 1 60 60 ALA N N 60 118.867 118.867 120.737 -1.870 19367 274 1 . 1 1 60 60 ALA HA H 60 4.879 4.879 4.581 0.298 19367 275 1 . 1 1 60 60 ALA CA C 60 51.372 51.372 52.107 -0.735 19367 276 1 . 1 1 60 60 ALA CB C 60 20.539 20.539 19.948 0.591 19367 277 1 . 1 1 60 60 ALA H H 60 7.630 7.630 7.555 0.075 19367 278 1 . 1 1 61 61 LEU N N 61 124.902 124.902 120.896 4.006 19367 279 1 . 1 1 61 61 LEU HA H 61 4.094 4.094 4.112 -0.018 19367 280 1 . 1 1 61 61 LEU CA C 61 58.442 58.442 57.301 1.141 19367 281 1 . 1 1 61 61 LEU CB C 61 42.290 42.290 42.131 0.159 19367 282 1 . 1 1 61 61 LEU H H 61 7.598 7.598 8.140 -0.542 19367 283 1 . 1 1 62 62 ASP N N 62 117.094 117.094 118.593 -1.499 19367 284 1 . 1 1 62 62 ASP HA H 62 4.345 4.345 4.499 -0.154 19367 285 1 . 1 1 62 62 ASP CA C 62 56.690 56.690 55.862 0.828 19367 286 1 . 1 1 62 62 ASP CB C 62 39.812 39.812 40.584 -0.772 19367 287 1 . 1 1 62 62 ASP H H 62 8.686 8.686 8.789 -0.103 19367 288 1 . 1 1 63 63 SER N N 63 112.854 112.854 114.339 -1.485 19367 289 1 . 1 1 63 63 SER HA H 63 4.554 4.554 4.520 0.034 19367 290 1 . 1 1 63 63 SER CA C 63 58.052 58.052 57.368 0.684 19367 291 1 . 1 1 63 63 SER CB C 63 64.719 64.719 64.327 0.392 19367 292 1 . 1 1 63 63 SER H H 63 7.969 7.969 7.452 0.517 19367 293 1 . 1 1 64 64 PHE N N 64 125.623 125.623 123.829 1.794 19367 294 1 . 1 1 64 64 PHE HA H 64 4.238 4.238 3.986 0.252 19367 295 1 . 1 1 64 64 PHE CA C 64 56.826 56.826 58.598 -1.772 19367 296 1 . 1 1 64 64 PHE CB C 64 38.210 38.210 39.398 -1.188 19367 297 1 . 1 1 64 64 PHE H H 64 7.383 7.383 7.399 -0.016 19367 298 1 . 1 1 65 65 ARG N N 65 133.273 133.273 124.289 8.984 19367 299 1 . 1 1 65 65 ARG HA H 65 3.861 3.861 4.131 -0.270 19367 300 1 . 1 1 65 65 ARG CA C 65 57.826 57.826 55.686 2.140 19367 301 1 . 1 1 65 65 ARG CB C 65 31.054 31.054 30.527 0.527 19367 302 1 . 1 1 65 65 ARG H H 65 10.968 10.968 7.926 3.042 19367 303 1 . 1 1 66 66 GLY N N 66 103.283 103.283 107.189 -3.906 19367 304 1 . 1 1 66 66 GLY CA C 66 46.309 46.309 44.927 1.382 19367 305 1 . 1 1 66 66 GLY H H 66 5.673 5.673 6.352 -0.679 19367 306 1 . 1 1 67 67 ASP N N 67 120.001 120.001 118.974 1.027 19367 307 1 . 1 1 67 67 ASP HA H 67 4.551 4.551 4.535 0.016 19367 308 1 . 1 1 67 67 ASP CA C 67 55.488 55.488 55.157 0.331 19367 309 1 . 1 1 67 67 ASP CB C 67 40.655 40.655 41.018 -0.363 19367 310 1 . 1 1 67 67 ASP H H 67 7.960 7.960 8.171 -0.211 19367 311 1 . 1 1 68 68 SER N N 68 110.787 110.787 112.039 -1.252 19367 312 1 . 1 1 68 68 SER HA H 68 4.633 4.633 4.644 -0.011 19367 313 1 . 1 1 68 68 SER CA C 68 56.762 56.762 57.366 -0.604 19367 314 1 . 1 1 68 68 SER CB C 68 67.439 67.439 64.839 2.600 19367 315 1 . 1 1 68 68 SER H H 68 7.692 7.692 7.387 0.305 19367 316 1 . 1 1 69 69 ALA N N 69 122.464 122.464 124.031 -1.567 19367 317 1 . 1 1 69 69 ALA HA H 69 4.692 4.692 4.441 0.251 19367 318 1 . 1 1 69 69 ALA CA C 69 52.674 52.674 52.665 0.009 19367 319 1 . 1 1 69 69 ALA CB C 69 18.751 18.751 19.602 -0.851 19367 320 1 . 1 1 69 69 ALA H H 69 9.726 9.726 8.689 1.037 19367 321 1 . 1 1 70 70 PHE N N 70 127.188 127.188 122.391 4.797 19367 322 1 . 1 1 70 70 PHE HA H 70 4.085 4.085 4.176 -0.091 19367 323 1 . 1 1 70 70 PHE CA C 70 62.108 62.108 61.249 0.859 19367 324 1 . 1 1 70 70 PHE CB C 70 39.054 39.054 39.722 -0.668 19367 325 1 . 1 1 70 70 PHE H H 70 9.774 9.774 8.823 0.951 19367 326 1 . 1 1 71 71 TYR N N 71 117.533 117.533 118.186 -0.653 19367 327 1 . 1 1 71 71 TYR HA H 71 3.449 3.449 3.890 -0.441 19367 328 1 . 1 1 71 71 TYR CA C 71 61.684 61.684 60.928 0.756 19367 329 1 . 1 1 71 71 TYR CB C 71 37.072 37.072 37.863 -0.791 19367 330 1 . 1 1 71 71 TYR H H 71 9.720 9.720 8.731 0.989 19367 331 1 . 1 1 72 72 THR N N 72 114.574 114.574 116.772 -2.198 19367 332 1 . 1 1 72 72 THR HA H 72 5.436 5.436 3.924 1.512 19367 333 1 . 1 1 72 72 THR CA C 72 63.426 63.426 66.926 -3.500 19367 334 1 . 1 1 72 72 THR CB C 72 68.762 68.762 68.411 0.351 19367 335 1 . 1 1 72 72 THR H H 72 6.675 6.675 7.783 -1.108 19367 336 1 . 1 1 73 73 TRP N N 73 123.561 123.561 122.770 0.791 19367 337 1 . 1 1 73 73 TRP HA H 73 3.956 3.956 4.538 -0.582 19367 338 1 . 1 1 73 73 TRP CA C 73 62.112 62.112 60.168 1.944 19367 339 1 . 1 1 73 73 TRP CB C 73 28.971 28.971 29.547 -0.576 19367 340 1 . 1 1 73 73 TRP H H 73 6.924 6.924 7.387 -0.463 19367 341 1 . 1 1 74 74 LEU N N 74 118.760 118.760 121.479 -2.719 19367 342 1 . 1 1 74 74 LEU HA H 74 2.960 2.960 3.368 -0.408 19367 343 1 . 1 1 74 74 LEU CA C 74 57.105 57.105 56.954 0.151 19367 344 1 . 1 1 74 74 LEU CB C 74 41.503 41.503 41.398 0.105 19367 345 1 . 1 1 74 74 LEU H H 74 7.903 7.903 7.728 0.175 19367 346 1 . 1 1 75 75 TYR N N 75 119.616 119.616 118.751 0.865 19367 347 1 . 1 1 75 75 TYR HA H 75 2.928 2.928 3.745 -0.817 19367 348 1 . 1 1 75 75 TYR CA C 75 60.187 60.187 61.364 -1.176 19367 349 1 . 1 1 75 75 TYR CB C 75 37.987 37.987 38.018 -0.031 19367 350 1 . 1 1 75 75 TYR H H 75 8.717 8.717 8.118 0.599 19367 351 1 . 1 1 76 76 ARG N N 76 116.789 116.789 118.371 -1.582 19367 352 1 . 1 1 76 76 ARG HA H 76 3.634 3.634 4.043 -0.409 19367 353 1 . 1 1 76 76 ARG CA C 76 56.003 56.003 58.170 -2.167 19367 354 1 . 1 1 76 76 ARG CB C 76 27.476 27.476 29.380 -1.904 19367 355 1 . 1 1 76 76 ARG H H 76 6.809 6.809 7.444 -0.635 19367 356 1 . 1 1 77 77 ILE N N 77 117.721 117.721 119.341 -1.620 19367 357 1 . 1 1 77 77 ILE HA H 77 2.853 2.853 3.584 -0.731 19367 358 1 . 1 1 77 77 ILE CA C 77 65.599 65.599 64.459 1.139 19367 359 1 . 1 1 77 77 ILE CB C 77 36.937 36.937 37.321 -0.384 19367 360 1 . 1 1 77 77 ILE H H 77 7.316 7.316 7.189 0.127 19367 361 1 . 1 1 78 78 ALA N N 78 125.528 125.528 123.123 2.405 19367 362 1 . 1 1 78 78 ALA HA H 78 3.369 3.369 3.839 -0.470 19367 363 1 . 1 1 78 78 ALA CA C 78 55.876 55.876 54.905 0.971 19367 364 1 . 1 1 78 78 ALA CB C 78 17.833 17.833 18.117 -0.283 19367 365 1 . 1 1 78 78 ALA H H 78 8.788 8.788 7.831 0.957 19367 366 1 . 1 1 79 79 VAL N N 79 117.392 117.392 117.704 -0.312 19367 367 1 . 1 1 79 79 VAL HA H 79 2.819 2.819 3.500 -0.681 19367 368 1 . 1 1 79 79 VAL CA C 79 67.174 67.174 64.910 2.264 19367 369 1 . 1 1 79 79 VAL CB C 79 31.642 31.642 31.765 -0.123 19367 370 1 . 1 1 79 79 VAL H H 79 8.046 8.046 7.659 0.387 19367 371 1 . 1 1 80 80 ASN N N 80 117.152 117.152 117.357 -0.205 19367 372 1 . 1 1 80 80 ASN HA H 80 4.368 4.368 4.530 -0.162 19367 373 1 . 1 1 80 80 ASN CA C 80 55.630 55.630 55.339 0.291 19367 374 1 . 1 1 80 80 ASN CB C 80 36.752 36.752 38.140 -1.388 19367 375 1 . 1 1 80 80 ASN H H 80 8.146 8.146 7.686 0.460 19367 376 1 . 1 1 81 81 THR N N 81 119.140 119.140 117.609 1.531 19367 377 1 . 1 1 81 81 THR HA H 81 3.795 3.795 4.098 -0.303 19367 378 1 . 1 1 81 81 THR CA C 81 67.441 67.441 66.269 1.172 19367 379 1 . 1 1 81 81 THR CB C 81 68.102 68.102 68.716 -0.614 19367 380 1 . 1 1 81 81 THR H H 81 8.320 8.320 7.995 0.325 19367 381 1 . 1 1 82 82 ALA N N 82 124.957 124.957 123.279 1.678 19367 382 1 . 1 1 82 82 ALA HA H 82 3.789 3.789 4.058 -0.269 19367 383 1 . 1 1 82 82 ALA CA C 82 55.415 55.415 54.778 0.637 19367 384 1 . 1 1 82 82 ALA CB C 82 18.020 18.020 18.309 -0.289 19367 385 1 . 1 1 82 82 ALA H H 82 8.037 8.037 7.749 0.288 19367 386 1 . 1 1 83 83 LYS N N 83 116.190 116.190 117.091 -0.901 19367 387 1 . 1 1 83 83 LYS HA H 83 3.815 3.815 4.030 -0.215 19367 388 1 . 1 1 83 83 LYS CA C 83 60.160 60.160 58.874 1.286 19367 389 1 . 1 1 83 83 LYS CB C 83 32.312 32.312 32.435 -0.123 19367 390 1 . 1 1 83 83 LYS H H 83 8.314 8.314 7.744 0.570 19367 391 1 . 1 1 84 84 ASN N N 84 117.083 117.083 117.787 -0.704 19367 392 1 . 1 1 84 84 ASN HA H 84 4.486 4.486 4.504 -0.018 19367 393 1 . 1 1 84 84 ASN CA C 84 55.213 55.213 54.979 0.234 19367 394 1 . 1 1 84 84 ASN CB C 84 38.461 38.461 38.369 0.092 19367 395 1 . 1 1 84 84 ASN H H 84 8.004 8.004 7.769 0.235 19367 396 1 . 1 1 85 85 TYR N N 85 122.935 122.935 121.119 1.816 19367 397 1 . 1 1 85 85 TYR HA H 85 4.147 4.147 4.277 -0.130 19367 398 1 . 1 1 85 85 TYR CA C 85 61.408 61.408 61.291 0.117 19367 399 1 . 1 1 85 85 TYR CB C 85 38.428 38.428 38.688 -0.260 19367 400 1 . 1 1 85 85 TYR H H 85 7.935 7.935 7.569 0.366 19367 401 1 . 1 1 86 86 LEU N N 86 119.119 119.119 117.555 1.564 19367 402 1 . 1 1 86 86 LEU HA H 86 3.998 3.998 3.962 0.036 19367 403 1 . 1 1 86 86 LEU CA C 86 57.647 57.647 57.174 0.473 19367 404 1 . 1 1 86 86 LEU CB C 86 41.906 41.906 41.986 -0.080 19367 405 1 . 1 1 86 86 LEU H H 86 7.810 7.810 7.506 0.304 19367 406 1 . 1 1 87 87 VAL N N 87 118.991 118.991 114.275 4.716 19367 407 1 . 1 1 87 87 VAL HA H 87 3.806 3.806 3.983 -0.177 19367 408 1 . 1 1 87 87 VAL CA C 87 64.989 64.989 63.897 1.092 19367 409 1 . 1 1 87 87 VAL CB C 87 32.126 32.126 31.076 1.050 19367 410 1 . 1 1 87 87 VAL H H 87 7.701 7.701 7.312 0.389 19367 411 1 . 1 1 88 88 ALA N N 88 123.643 123.643 122.373 1.270 19367 412 1 . 1 1 88 88 ALA HA H 88 4.088 4.088 4.119 -0.031 19367 413 1 . 1 1 88 88 ALA CA C 88 54.188 54.188 54.439 -0.250 19367 414 1 . 1 1 88 88 ALA CB C 88 18.460 18.460 18.635 -0.175 19367 415 1 . 1 1 88 88 ALA H H 88 7.978 7.978 7.445 0.534 19367 416 1 . 1 1 89 89 GLN N N 89 116.659 116.659 115.772 0.887 19367 417 1 . 1 1 89 89 GLN HA H 89 4.024 4.024 4.327 -0.303 19367 418 1 . 1 1 89 89 GLN CA C 89 56.818 56.818 56.193 0.625 19367 419 1 . 1 1 89 89 GLN CB C 89 28.776 28.776 29.233 -0.457 19367 420 1 . 1 1 89 89 GLN H H 89 7.974 7.974 7.581 0.393 19367 421 1 . 1 1 90 90 GLY N N 90 107.464 107.464 107.984 -0.520 19367 422 1 . 1 1 90 90 GLY CA C 90 45.782 45.782 45.545 0.237 19367 423 1 . 1 1 90 90 GLY H H 90 7.967 7.967 7.853 0.114 19367 424 1 . 1 1 91 91 ARG N N 91 119.736 119.736 117.800 1.936 19367 425 1 . 1 1 91 91 ARG HA H 91 4.299 4.299 4.601 -0.302 19367 426 1 . 1 1 91 91 ARG CA C 91 56.216 56.216 54.941 1.275 19367 427 1 . 1 1 91 91 ARG CB C 91 30.805 30.805 31.020 -0.215 19367 428 1 . 1 1 91 91 ARG H H 91 7.824 7.824 7.484 0.340 19367 429 1 . 1 1 92 92 ARG N N 92 120.592 120.592 120.158 0.434 19367 430 1 . 1 1 92 92 ARG HA H 92 4.270 4.270 4.194 0.076 19367 431 1 . 1 1 92 92 ARG CA C 92 56.451 56.451 57.677 -1.225 19367 432 1 . 1 1 92 92 ARG CB C 92 30.658 30.658 30.461 0.197 19367 433 1 . 1 1 92 92 ARG H H 92 8.038 8.038 8.014 0.024 19367 434 1 . 1 1 93 93 LEU N N 93 122.274 122.274 118.294 3.980 19367 435 1 . 1 1 93 93 LEU HA H 93 4.258 4.258 4.425 -0.167 19367 436 1 . 1 1 93 93 LEU CA C 93 55.463 55.463 55.232 0.231 19367 437 1 . 1 1 93 93 LEU CB C 93 42.203 42.203 42.018 0.185 19367 438 1 . 1 1 93 93 LEU H H 93 8.147 8.147 7.909 0.238 19367 439 1 . 1 1 94 94 GLU N N 94 120.794 120.794 119.232 1.562 19367 440 1 . 1 1 94 94 GLU HA H 94 4.249 4.249 4.359 -0.110 19367 441 1 . 1 1 94 94 GLU CA C 94 56.557 56.557 56.317 0.240 19367 442 1 . 1 1 94 94 GLU CB C 94 30.103 30.103 30.837 -0.734 19367 443 1 . 1 1 94 94 GLU H H 94 8.241 8.241 7.857 0.384 19367 444 1 . 1 1 95 95 LEU N N 95 122.290 122.290 120.724 1.566 19367 445 1 . 1 1 95 95 LEU HA H 95 4.312 4.312 4.355 -0.043 19367 446 1 . 1 1 95 95 LEU CA C 95 55.080 55.080 55.437 -0.357 19367 447 1 . 1 1 95 95 LEU CB C 95 42.130 42.130 42.436 -0.306 19367 448 1 . 1 1 95 95 LEU H H 95 8.068 8.068 8.215 -0.147 19367 stop_ save_