data_17578 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17578 _Entry.PDB_ID 2LBW 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 17578 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 LYS N N 37 124.035 124.035 123.124 0.911 17578 2 1 1 . 1 1 2 2 LYS HA H 37 4.064 4.064 4.199 -0.135 17578 3 1 1 . 1 1 2 2 LYS H H 37 7.786 7.786 8.620 -0.834 17578 4 1 1 . 1 1 3 3 LYS HA H 38 4.026 4.026 4.250 -0.224 17578 5 1 1 . 1 1 3 3 LYS C C 38 179.176 179.176 177.805 1.371 17578 6 1 1 . 1 1 3 3 LYS CA C 38 59.781 59.781 58.117 1.664 17578 7 1 1 . 1 1 3 3 LYS CB C 38 32.626 32.626 31.541 1.085 17578 8 1 1 . 1 1 4 4 LEU N N 39 122.003 122.003 121.316 0.687 17578 9 1 1 . 1 1 4 4 LEU HA H 39 4.159 4.159 3.948 0.211 17578 10 1 1 . 1 1 4 4 LEU C C 39 178.232 178.232 178.516 -0.284 17578 11 1 1 . 1 1 4 4 LEU CA C 39 57.470 57.470 58.769 -1.299 17578 12 1 1 . 1 1 4 4 LEU CB C 39 40.343 40.343 41.589 -1.246 17578 13 1 1 . 1 1 4 4 LEU H H 39 7.877 7.877 8.174 -0.297 17578 14 1 1 . 1 1 5 5 ASN N N 40 118.692 118.692 116.324 2.368 17578 15 1 1 . 1 1 5 5 ASN HA H 40 3.997 3.997 4.279 -0.282 17578 16 1 1 . 1 1 5 5 ASN C C 40 176.054 176.054 177.610 -1.556 17578 17 1 1 . 1 1 5 5 ASN CA C 40 57.622 57.622 56.109 1.513 17578 18 1 1 . 1 1 5 5 ASN CB C 40 40.113 40.113 37.717 2.396 17578 19 1 1 . 1 1 5 5 ASN H H 40 9.313 9.313 8.052 1.261 17578 20 1 1 . 1 1 6 6 LYS N N 41 115.497 115.497 121.894 -6.397 17578 21 1 1 . 1 1 6 6 LYS HA H 41 3.928 3.928 3.894 0.034 17578 22 1 1 . 1 1 6 6 LYS C C 41 179.133 179.133 178.911 0.222 17578 23 1 1 . 1 1 6 6 LYS CA C 41 59.909 59.909 59.977 -0.068 17578 24 1 1 . 1 1 6 6 LYS CB C 41 32.256 32.256 32.256 0.000 17578 25 1 1 . 1 1 6 6 LYS H H 41 7.230 7.230 7.656 -0.426 17578 26 1 1 . 1 1 7 7 LYS N N 42 118.961 118.961 118.938 0.023 17578 27 1 1 . 1 1 7 7 LYS HA H 42 4.040 4.040 4.045 -0.005 17578 28 1 1 . 1 1 7 7 LYS C C 42 180.272 180.272 179.411 0.861 17578 29 1 1 . 1 1 7 7 LYS CA C 42 59.988 59.988 59.420 0.568 17578 30 1 1 . 1 1 7 7 LYS CB C 42 33.462 33.462 32.342 1.120 17578 31 1 1 . 1 1 7 7 LYS H H 42 7.367 7.367 7.974 -0.607 17578 32 1 1 . 1 1 8 8 VAL N N 43 122.400 122.400 120.178 2.222 17578 33 1 1 . 1 1 8 8 VAL HA H 43 3.303 3.303 4.047 -0.744 17578 34 1 1 . 1 1 8 8 VAL CA C 43 67.430 67.430 67.130 0.299 17578 35 1 1 . 1 1 8 8 VAL CB C 43 31.374 31.374 31.683 -0.308 17578 36 1 1 . 1 1 8 8 VAL H H 43 9.215 9.215 8.117 1.098 17578 37 1 1 . 1 1 9 9 LEU N N 44 119.626 119.626 120.851 -1.225 17578 38 1 1 . 1 1 9 9 LEU HA H 44 3.833 3.833 3.913 -0.080 17578 39 1 1 . 1 1 9 9 LEU CA C 44 58.453 58.453 58.388 0.065 17578 40 1 1 . 1 1 9 9 LEU CB C 44 41.171 41.171 41.718 -0.547 17578 41 1 1 . 1 1 9 9 LEU H H 44 8.471 8.471 8.515 -0.044 17578 42 1 1 . 1 1 10 10 LYS N N 45 119.761 119.761 117.570 2.191 17578 43 1 1 . 1 1 10 10 LYS HA H 45 4.026 4.026 3.992 0.034 17578 44 1 1 . 1 1 10 10 LYS CA C 45 59.919 59.919 59.495 0.424 17578 45 1 1 . 1 1 10 10 LYS CB C 45 32.430 32.430 31.887 0.543 17578 46 1 1 . 1 1 10 10 LYS H H 45 7.883 7.883 8.304 -0.421 17578 47 1 1 . 1 1 11 11 THR N N 46 116.469 116.469 117.609 -1.140 17578 48 1 1 . 1 1 11 11 THR HA H 46 4.339 4.339 3.781 0.558 17578 49 1 1 . 1 1 11 11 THR C C 46 175.987 175.987 176.195 -0.208 17578 50 1 1 . 1 1 11 11 THR CB C 46 68.013 68.013 68.211 -0.198 17578 51 1 1 . 1 1 11 11 THR H H 46 7.805 7.805 8.085 -0.280 17578 52 1 1 . 1 1 12 12 VAL N N 47 121.907 121.907 120.934 0.973 17578 53 1 1 . 1 1 12 12 VAL HA H 47 3.232 3.232 3.734 -0.502 17578 54 1 1 . 1 1 12 12 VAL CA C 47 67.331 67.331 65.559 1.772 17578 55 1 1 . 1 1 12 12 VAL CB C 47 31.438 31.438 31.569 -0.131 17578 56 1 1 . 1 1 12 12 VAL H H 47 8.782 8.782 8.137 0.645 17578 57 1 1 . 1 1 13 13 LYS N N 48 122.393 122.393 119.182 3.211 17578 58 1 1 . 1 1 13 13 LYS HA H 48 4.258 4.258 3.874 0.384 17578 59 1 1 . 1 1 13 13 LYS C C 48 179.808 179.808 178.965 0.843 17578 60 1 1 . 1 1 13 13 LYS CA C 48 59.999 59.999 59.686 0.313 17578 61 1 1 . 1 1 13 13 LYS CB C 48 32.553 32.553 32.193 0.360 17578 62 1 1 . 1 1 13 13 LYS H H 48 8.171 8.171 7.985 0.186 17578 63 1 1 . 1 1 14 14 LYS N N 49 118.852 118.852 118.216 0.636 17578 64 1 1 . 1 1 14 14 LYS HA H 49 3.973 3.973 4.047 -0.074 17578 65 1 1 . 1 1 14 14 LYS CA C 49 59.811 59.811 58.585 1.226 17578 66 1 1 . 1 1 14 14 LYS CB C 49 33.389 33.389 32.326 1.063 17578 67 1 1 . 1 1 14 14 LYS H H 49 7.941 7.941 7.588 0.353 17578 68 1 1 . 1 1 15 15 ALA N N 50 122.047 122.047 121.153 0.894 17578 69 1 1 . 1 1 15 15 ALA HA H 50 3.496 3.496 3.994 -0.498 17578 70 1 1 . 1 1 15 15 ALA CA C 50 54.709 54.709 54.371 0.338 17578 71 1 1 . 1 1 15 15 ALA CB C 50 18.917 18.917 17.524 1.393 17578 72 1 1 . 1 1 15 15 ALA H H 50 8.544 8.544 7.445 1.099 17578 73 1 1 . 1 1 16 16 SER N N 51 116.561 116.561 114.796 1.765 17578 74 1 1 . 1 1 16 16 SER HA H 51 4.730 4.730 4.065 0.665 17578 75 1 1 . 1 1 16 16 SER C C 51 178.560 178.560 176.816 1.744 17578 76 1 1 . 1 1 16 16 SER CA C 51 61.680 61.680 61.537 0.143 17578 77 1 1 . 1 1 16 16 SER CB C 51 62.551 62.551 62.924 -0.373 17578 78 1 1 . 1 1 16 16 SER H H 51 8.551 8.551 8.121 0.430 17578 79 1 1 . 1 1 17 17 LYS N N 52 124.890 124.890 121.355 3.535 17578 80 1 1 . 1 1 17 17 LYS HA H 52 4.072 4.072 4.053 0.019 17578 81 1 1 . 1 1 17 17 LYS C C 52 177.377 177.377 177.719 -0.342 17578 82 1 1 . 1 1 17 17 LYS CA C 52 58.931 58.931 58.626 0.305 17578 83 1 1 . 1 1 17 17 LYS CB C 52 31.961 31.961 32.360 -0.399 17578 84 1 1 . 1 1 17 17 LYS H H 52 7.578 7.578 7.720 -0.142 17578 85 1 1 . 1 1 18 18 ALA N N 53 118.628 118.628 118.601 0.027 17578 86 1 1 . 1 1 18 18 ALA HA H 53 4.285 4.285 4.413 -0.128 17578 87 1 1 . 1 1 18 18 ALA C C 53 175.061 175.061 176.561 -1.500 17578 88 1 1 . 1 1 18 18 ALA CA C 53 51.822 51.822 51.362 0.460 17578 89 1 1 . 1 1 18 18 ALA CB C 53 19.390 19.390 19.340 0.050 17578 90 1 1 . 1 1 18 18 ALA H H 53 7.112 7.112 7.583 -0.471 17578 91 1 1 . 1 1 19 19 LYS N N 54 111.984 111.984 116.392 -4.408 17578 92 1 1 . 1 1 19 19 LYS HA H 54 4.026 4.026 3.984 0.042 17578 93 1 1 . 1 1 19 19 LYS CA C 54 57.222 57.222 57.144 0.078 17578 94 1 1 . 1 1 19 19 LYS CB C 54 28.387 28.387 30.215 -1.828 17578 95 1 1 . 1 1 19 19 LYS H H 54 7.653 7.653 7.861 -0.208 17578 96 1 1 . 1 1 20 20 ASN N N 55 116.088 116.088 115.329 0.759 17578 97 1 1 . 1 1 20 20 ASN HA H 55 5.102 5.102 4.770 0.332 17578 98 1 1 . 1 1 20 20 ASN C C 55 172.975 172.975 173.394 -0.419 17578 99 1 1 . 1 1 20 20 ASN CA C 55 51.215 51.215 52.515 -1.300 17578 100 1 1 . 1 1 20 20 ASN CB C 55 40.316 40.316 39.077 1.239 17578 101 1 1 . 1 1 20 20 ASN H H 55 8.118 8.118 7.833 0.285 17578 102 1 1 . 1 1 21 21 VAL N N 56 114.959 114.959 118.622 -3.663 17578 103 1 1 . 1 1 21 21 VAL HA H 56 4.938 4.938 4.097 0.841 17578 104 1 1 . 1 1 21 21 VAL C C 56 175.409 175.409 173.907 1.502 17578 105 1 1 . 1 1 21 21 VAL CA C 56 60.901 60.901 60.456 0.445 17578 106 1 1 . 1 1 21 21 VAL CB C 56 35.368 35.368 34.862 0.506 17578 107 1 1 . 1 1 21 21 VAL H H 56 7.628 7.628 7.386 0.242 17578 108 1 1 . 1 1 22 22 LYS N N 57 126.485 126.485 124.918 1.567 17578 109 1 1 . 1 1 22 22 LYS HA H 57 4.712 4.712 4.688 0.024 17578 110 1 1 . 1 1 22 22 LYS C C 57 175.394 175.394 174.102 1.292 17578 111 1 1 . 1 1 22 22 LYS CA C 57 54.485 54.485 53.940 0.545 17578 112 1 1 . 1 1 22 22 LYS CB C 57 33.669 33.669 36.735 -3.066 17578 113 1 1 . 1 1 22 22 LYS H H 57 8.987 8.987 8.705 0.282 17578 114 1 1 . 1 1 23 23 ARG N N 58 122.011 122.011 118.188 3.823 17578 115 1 1 . 1 1 23 23 ARG HA H 58 4.837 4.837 5.108 -0.271 17578 116 1 1 . 1 1 23 23 ARG C C 58 175.930 175.930 176.036 -0.106 17578 117 1 1 . 1 1 23 23 ARG CA C 58 55.872 55.872 54.395 1.477 17578 118 1 1 . 1 1 23 23 ARG CB C 58 33.513 33.513 32.611 0.902 17578 119 1 1 . 1 1 23 23 ARG H H 58 9.024 9.024 8.474 0.550 17578 120 1 1 . 1 1 24 24 GLY N N 59 111.007 111.007 108.508 2.499 17578 121 1 1 . 1 1 24 24 GLY CA C 59 44.790 44.790 44.481 0.309 17578 122 1 1 . 1 1 24 24 GLY H H 59 8.315 8.315 8.813 -0.498 17578 123 1 1 . 1 1 25 25 VAL N N 60 119.423 119.423 121.680 -2.257 17578 124 1 1 . 1 1 25 25 VAL HA H 60 3.156 3.156 3.409 -0.253 17578 125 1 1 . 1 1 25 25 VAL C C 60 176.562 176.562 176.900 -0.338 17578 126 1 1 . 1 1 25 25 VAL CA C 60 68.037 68.037 65.481 2.556 17578 127 1 1 . 1 1 25 25 VAL CB C 60 32.050 32.050 31.750 0.300 17578 128 1 1 . 1 1 25 25 VAL H H 60 8.152 8.152 8.660 -0.508 17578 129 1 1 . 1 1 26 26 LYS N N 61 117.316 117.316 119.099 -1.783 17578 130 1 1 . 1 1 26 26 LYS HA H 61 3.919 3.919 4.068 -0.149 17578 131 1 1 . 1 1 26 26 LYS C C 61 180.130 180.130 178.427 1.703 17578 132 1 1 . 1 1 26 26 LYS CA C 61 60.157 60.157 59.336 0.821 17578 133 1 1 . 1 1 26 26 LYS CB C 61 32.041 32.041 31.951 0.090 17578 134 1 1 . 1 1 26 26 LYS H H 61 8.156 8.156 8.437 -0.281 17578 135 1 1 . 1 1 27 27 GLU N N 62 117.535 117.535 119.579 -2.044 17578 136 1 1 . 1 1 27 27 GLU HA H 62 3.961 3.961 4.170 -0.209 17578 137 1 1 . 1 1 27 27 GLU CA C 62 58.787 58.787 59.388 -0.601 17578 138 1 1 . 1 1 27 27 GLU CB C 62 29.843 29.843 29.403 0.440 17578 139 1 1 . 1 1 27 27 GLU H H 62 8.531 8.531 7.453 1.078 17578 140 1 1 . 1 1 28 28 VAL N N 63 120.589 120.589 118.427 2.162 17578 141 1 1 . 1 1 28 28 VAL HA H 63 3.498 3.498 2.939 0.559 17578 142 1 1 . 1 1 28 28 VAL CA C 63 68.099 68.099 65.677 2.422 17578 143 1 1 . 1 1 28 28 VAL CB C 63 31.376 31.376 30.485 0.891 17578 144 1 1 . 1 1 28 28 VAL H H 63 8.255 8.255 8.224 0.031 17578 145 1 1 . 1 1 29 29 VAL N N 64 118.570 118.570 120.700 -2.130 17578 146 1 1 . 1 1 29 29 VAL HA H 64 3.359 3.359 3.636 -0.277 17578 147 1 1 . 1 1 29 29 VAL C C 64 177.549 177.549 177.089 0.460 17578 148 1 1 . 1 1 29 29 VAL CA C 64 67.456 67.456 65.444 2.012 17578 149 1 1 . 1 1 29 29 VAL CB C 64 31.233 31.233 31.193 0.040 17578 150 1 1 . 1 1 29 29 VAL H H 64 8.535 8.535 8.081 0.454 17578 151 1 1 . 1 1 30 30 LYS N N 65 117.926 117.926 120.519 -2.593 17578 152 1 1 . 1 1 30 30 LYS HA H 65 3.875 3.875 3.906 -0.031 17578 153 1 1 . 1 1 30 30 LYS CA C 65 59.811 59.811 59.956 -0.145 17578 154 1 1 . 1 1 30 30 LYS CB C 65 32.715 32.715 32.276 0.439 17578 155 1 1 . 1 1 30 30 LYS H H 65 7.538 7.538 7.694 -0.156 17578 156 1 1 . 1 1 31 31 ALA N N 66 120.475 120.475 121.144 -0.669 17578 157 1 1 . 1 1 31 31 ALA HA H 66 4.071 4.071 4.109 -0.038 17578 158 1 1 . 1 1 31 31 ALA C C 66 179.596 179.596 179.387 0.209 17578 159 1 1 . 1 1 31 31 ALA CA C 66 55.051 55.051 54.718 0.333 17578 160 1 1 . 1 1 31 31 ALA CB C 66 18.901 18.901 18.317 0.584 17578 161 1 1 . 1 1 31 31 ALA H H 66 7.496 7.496 7.777 -0.281 17578 162 1 1 . 1 1 32 32 LEU N N 67 119.357 119.357 119.769 -0.412 17578 163 1 1 . 1 1 32 32 LEU HA H 67 3.854 3.854 3.674 0.180 17578 164 1 1 . 1 1 32 32 LEU CA C 67 57.859 57.859 57.560 0.299 17578 165 1 1 . 1 1 32 32 LEU CB C 67 42.442 42.442 41.803 0.638 17578 166 1 1 . 1 1 32 32 LEU H H 67 8.376 8.376 7.679 0.697 17578 167 1 1 . 1 1 33 33 ARG N N 68 116.045 116.045 116.962 -0.917 17578 168 1 1 . 1 1 33 33 ARG HA H 68 3.802 3.802 4.018 -0.216 17578 169 1 1 . 1 1 33 33 ARG CA C 68 59.306 59.306 58.051 1.255 17578 170 1 1 . 1 1 33 33 ARG CB C 68 29.759 29.759 30.494 -0.734 17578 171 1 1 . 1 1 33 33 ARG H H 68 8.091 8.091 7.743 0.348 17578 172 1 1 . 1 1 34 34 LYS N N 69 117.845 117.845 117.003 0.842 17578 173 1 1 . 1 1 34 34 LYS HA H 69 4.255 4.255 4.165 0.090 17578 174 1 1 . 1 1 34 34 LYS C C 69 176.831 176.831 177.902 -1.071 17578 175 1 1 . 1 1 34 34 LYS CA C 69 56.548 56.548 57.577 -1.029 17578 176 1 1 . 1 1 34 34 LYS CB C 69 32.710 32.710 33.124 -0.414 17578 177 1 1 . 1 1 34 34 LYS H H 69 7.616 7.616 7.800 -0.184 17578 178 1 1 . 1 1 35 35 GLY N N 70 106.783 106.783 105.748 1.035 17578 179 1 1 . 1 1 35 35 GLY CA C 70 45.537 45.537 45.264 0.273 17578 180 1 1 . 1 1 35 35 GLY H H 70 7.739 7.739 8.340 -0.601 17578 181 1 1 . 1 1 36 36 GLU N N 71 119.424 119.424 118.676 0.748 17578 182 1 1 . 1 1 36 36 GLU HA H 71 4.226 4.226 4.164 0.062 17578 183 1 1 . 1 1 36 36 GLU C C 71 175.400 175.400 176.350 -0.950 17578 184 1 1 . 1 1 36 36 GLU CA C 71 57.414 57.414 56.820 0.594 17578 185 1 1 . 1 1 36 36 GLU CB C 71 29.442 29.442 29.058 0.384 17578 186 1 1 . 1 1 36 36 GLU H H 71 7.698 7.698 8.585 -0.887 17578 187 1 1 . 1 1 37 37 LYS N N 72 118.290 118.290 120.361 -2.071 17578 188 1 1 . 1 1 37 37 LYS HA H 72 4.903 4.903 4.224 0.679 17578 189 1 1 . 1 1 37 37 LYS C C 72 175.809 175.809 176.654 -0.845 17578 190 1 1 . 1 1 37 37 LYS CA C 72 53.791 53.791 57.173 -3.382 17578 191 1 1 . 1 1 37 37 LYS CB C 72 34.781 34.781 32.111 2.670 17578 192 1 1 . 1 1 37 37 LYS H H 72 8.223 8.223 7.418 0.805 17578 193 1 1 . 1 1 38 38 GLY N N 73 104.682 104.682 110.264 -5.582 17578 194 1 1 . 1 1 38 38 GLY C C 73 171.884 171.884 173.716 -1.832 17578 195 1 1 . 1 1 38 38 GLY CA C 73 46.360 46.360 44.884 1.476 17578 196 1 1 . 1 1 38 38 GLY H H 73 7.217 7.217 8.248 -1.031 17578 197 1 1 . 1 1 39 39 LEU N N 74 125.372 125.372 122.442 2.930 17578 198 1 1 . 1 1 39 39 LEU HA H 74 4.994 4.994 4.867 0.127 17578 199 1 1 . 1 1 39 39 LEU C C 74 174.380 174.380 176.097 -1.717 17578 200 1 1 . 1 1 39 39 LEU CA C 74 54.363 54.363 53.279 1.084 17578 201 1 1 . 1 1 39 39 LEU CB C 74 47.028 47.028 42.387 4.641 17578 202 1 1 . 1 1 39 39 LEU H H 74 8.945 8.945 8.124 0.821 17578 203 1 1 . 1 1 40 40 VAL N N 75 130.967 130.967 126.746 4.221 17578 204 1 1 . 1 1 40 40 VAL HA H 75 4.644 4.644 4.191 0.453 17578 205 1 1 . 1 1 40 40 VAL C C 75 173.667 173.667 174.685 -1.018 17578 206 1 1 . 1 1 40 40 VAL CA C 75 62.273 62.273 62.505 -0.232 17578 207 1 1 . 1 1 40 40 VAL CB C 75 32.591 32.591 32.831 -0.240 17578 208 1 1 . 1 1 40 40 VAL H H 75 8.551 8.551 8.581 -0.030 17578 209 1 1 . 1 1 41 41 VAL N N 76 127.493 127.493 127.489 0.004 17578 210 1 1 . 1 1 41 41 VAL HA H 76 4.660 4.660 4.310 0.350 17578 211 1 1 . 1 1 41 41 VAL C C 76 173.669 173.669 174.702 -1.033 17578 212 1 1 . 1 1 41 41 VAL CA C 76 60.899 60.899 60.627 0.272 17578 213 1 1 . 1 1 41 41 VAL CB C 76 33.346 33.346 32.438 0.909 17578 214 1 1 . 1 1 41 41 VAL H H 76 8.804 8.804 9.027 -0.223 17578 215 1 1 . 1 1 42 42 ILE N N 77 125.646 125.646 126.922 -1.276 17578 216 1 1 . 1 1 42 42 ILE HA H 77 4.444 4.444 4.514 -0.070 17578 217 1 1 . 1 1 42 42 ILE C C 77 174.817 174.817 174.430 0.387 17578 218 1 1 . 1 1 42 42 ILE CA C 77 59.700 59.700 58.323 1.377 17578 219 1 1 . 1 1 42 42 ILE CB C 77 39.977 39.977 39.861 0.116 17578 220 1 1 . 1 1 42 42 ILE H H 77 8.613 8.613 8.759 -0.146 17578 221 1 1 . 1 1 43 43 ALA N N 78 128.691 128.691 128.351 0.340 17578 222 1 1 . 1 1 43 43 ALA HA H 78 4.459 4.459 4.966 -0.507 17578 223 1 1 . 1 1 43 43 ALA C C 78 177.584 177.584 177.679 -0.095 17578 224 1 1 . 1 1 43 43 ALA CA C 78 52.372 52.372 49.872 2.500 17578 225 1 1 . 1 1 43 43 ALA CB C 78 19.504 19.504 20.250 -0.746 17578 226 1 1 . 1 1 43 43 ALA H H 78 8.565 8.565 7.734 0.831 17578 227 1 1 . 1 1 44 44 GLY N N 79 103.957 103.957 108.008 -4.051 17578 228 1 1 . 1 1 44 44 GLY C C 79 173.252 173.252 173.509 -0.257 17578 229 1 1 . 1 1 44 44 GLY CA C 79 45.764 45.764 45.739 0.025 17578 230 1 1 . 1 1 44 44 GLY H H 79 9.083 9.083 8.470 0.613 17578 231 1 1 . 1 1 45 45 ASP N N 80 118.632 118.632 117.966 0.666 17578 232 1 1 . 1 1 45 45 ASP HA H 80 4.918 4.918 4.540 0.378 17578 233 1 1 . 1 1 45 45 ASP CA C 80 52.689 52.689 52.571 0.118 17578 234 1 1 . 1 1 45 45 ASP CB C 80 39.118 39.118 40.151 -1.033 17578 235 1 1 . 1 1 45 45 ASP H H 80 8.695 8.695 7.741 0.954 17578 236 1 1 . 1 1 46 46 ILE N N 81 117.935 117.935 120.937 -3.002 17578 237 1 1 . 1 1 46 46 ILE HA H 81 4.179 4.179 3.871 0.308 17578 238 1 1 . 1 1 46 46 ILE C C 81 172.890 172.890 173.976 -1.086 17578 239 1 1 . 1 1 46 46 ILE CA C 81 59.242 59.242 60.260 -1.018 17578 240 1 1 . 1 1 46 46 ILE CB C 81 39.253 39.253 41.143 -1.890 17578 241 1 1 . 1 1 46 46 ILE H H 81 6.730 6.730 7.320 -0.590 17578 242 1 1 . 1 1 47 47 TRP N N 82 123.585 123.585 125.699 -2.114 17578 243 1 1 . 1 1 47 47 TRP HA H 82 4.587 4.587 5.181 -0.594 17578 244 1 1 . 1 1 47 47 TRP CA C 82 55.386 55.386 53.992 1.394 17578 245 1 1 . 1 1 47 47 TRP CB C 82 32.147 32.147 28.716 3.431 17578 246 1 1 . 1 1 47 47 TRP H H 82 7.804 7.804 7.399 0.405 17578 247 1 1 . 1 1 48 48 PRO HA H 83 4.248 4.248 4.620 -0.372 17578 248 1 1 . 1 1 48 48 PRO CA C 83 62.712 62.712 62.335 0.377 17578 249 1 1 . 1 1 48 48 PRO CB C 83 34.011 34.011 32.499 1.512 17578 250 1 1 . 1 1 49 49 ALA N N 84 121.827 121.827 120.464 1.363 17578 251 1 1 . 1 1 49 49 ALA HA H 84 3.969 3.969 4.321 -0.351 17578 252 1 1 . 1 1 49 49 ALA CA C 84 54.183 54.183 52.852 1.331 17578 253 1 1 . 1 1 49 49 ALA CB C 84 19.404 19.404 18.676 0.728 17578 254 1 1 . 1 1 49 49 ALA H H 84 8.198 8.198 8.514 -0.316 17578 255 1 1 . 1 1 50 50 ASP N N 85 114.049 114.049 119.866 -5.817 17578 256 1 1 . 1 1 50 50 ASP HA H 85 4.301 4.301 4.408 -0.107 17578 257 1 1 . 1 1 50 50 ASP C C 85 177.428 177.428 178.102 -0.674 17578 258 1 1 . 1 1 50 50 ASP CA C 85 55.777 55.777 57.521 -1.744 17578 259 1 1 . 1 1 50 50 ASP CB C 85 40.060 40.060 40.600 -0.540 17578 260 1 1 . 1 1 50 50 ASP H H 85 8.008 8.008 8.758 -0.750 17578 261 1 1 . 1 1 51 51 VAL N N 86 116.790 116.790 115.269 1.521 17578 262 1 1 . 1 1 51 51 VAL HA H 86 3.841 3.841 3.652 0.189 17578 263 1 1 . 1 1 51 51 VAL C C 86 176.231 176.231 177.690 -1.459 17578 264 1 1 . 1 1 51 51 VAL CA C 86 65.332 65.332 65.373 -0.041 17578 265 1 1 . 1 1 51 51 VAL CB C 86 32.123 32.123 31.400 0.723 17578 266 1 1 . 1 1 51 51 VAL H H 86 7.542 7.542 7.435 0.107 17578 267 1 1 . 1 1 52 52 ILE N N 87 107.529 107.529 120.434 -12.905 17578 268 1 1 . 1 1 52 52 ILE HA H 87 4.638 4.638 3.719 0.919 17578 269 1 1 . 1 1 52 52 ILE C C 87 178.026 178.026 177.980 0.046 17578 270 1 1 . 1 1 52 52 ILE CA C 87 59.806 59.806 64.758 -4.952 17578 271 1 1 . 1 1 52 52 ILE CB C 87 40.742 40.742 37.755 2.987 17578 272 1 1 . 1 1 52 52 ILE H H 87 7.310 7.310 8.474 -1.164 17578 273 1 1 . 1 1 53 53 SER N N 88 116.004 116.004 115.326 0.678 17578 274 1 1 . 1 1 53 53 SER HA H 88 4.566 4.566 4.293 0.273 17578 275 1 1 . 1 1 53 53 SER CA C 88 61.760 61.760 61.304 0.456 17578 276 1 1 . 1 1 53 53 SER CB C 88 62.391 62.391 63.802 -1.411 17578 277 1 1 . 1 1 53 53 SER H H 88 7.827 7.827 8.055 -0.228 17578 278 1 1 . 1 1 54 54 HIS HA H 89 4.572 4.572 4.461 0.111 17578 279 1 1 . 1 1 54 54 HIS CA C 89 56.789 56.789 59.366 -2.577 17578 280 1 1 . 1 1 54 54 HIS CB C 89 30.527 30.527 30.035 0.492 17578 281 1 1 . 1 1 55 55 ILE N N 90 120.579 120.579 121.232 -0.653 17578 282 1 1 . 1 1 55 55 ILE HA H 90 3.512 3.512 3.776 -0.264 17578 283 1 1 . 1 1 55 55 ILE CA C 90 65.424 65.424 67.036 -1.612 17578 284 1 1 . 1 1 55 55 ILE CB C 90 34.176 34.176 35.819 -1.643 17578 285 1 1 . 1 1 55 55 ILE H H 90 7.764 7.764 8.109 -0.345 17578 286 1 1 . 1 1 56 56 PRO HA H 91 2.942 2.942 4.368 -1.426 17578 287 1 1 . 1 1 56 56 PRO C C 91 177.032 177.032 178.782 -1.750 17578 288 1 1 . 1 1 56 56 PRO CA C 91 66.842 66.842 65.893 0.949 17578 289 1 1 . 1 1 56 56 PRO CB C 91 31.206 31.206 31.379 -0.173 17578 290 1 1 . 1 1 57 57 VAL N N 92 114.379 114.379 118.579 -4.200 17578 291 1 1 . 1 1 57 57 VAL HA H 92 3.574 3.574 3.719 -0.145 17578 292 1 1 . 1 1 57 57 VAL CA C 92 65.900 65.900 66.049 -0.148 17578 293 1 1 . 1 1 57 57 VAL CB C 92 31.600 31.600 31.878 -0.278 17578 294 1 1 . 1 1 57 57 VAL H H 92 6.497 6.497 7.703 -1.206 17578 295 1 1 . 1 1 58 58 LEU N N 93 120.522 120.522 119.161 1.361 17578 296 1 1 . 1 1 58 58 LEU HA H 93 4.227 4.227 4.102 0.125 17578 297 1 1 . 1 1 58 58 LEU C C 93 180.251 180.251 178.072 2.179 17578 298 1 1 . 1 1 58 58 LEU CA C 93 57.838 57.838 58.015 -0.177 17578 299 1 1 . 1 1 58 58 LEU CB C 93 43.172 43.172 41.158 2.014 17578 300 1 1 . 1 1 58 58 LEU H H 93 7.460 7.460 7.583 -0.123 17578 301 1 1 . 1 1 59 59 CYS N N 94 117.195 117.195 118.716 -1.521 17578 302 1 1 . 1 1 59 59 CYS HA H 94 3.867 3.867 4.261 -0.394 17578 303 1 1 . 1 1 59 59 CYS C C 94 176.362 176.362 176.539 -0.177 17578 304 1 1 . 1 1 59 59 CYS CA C 94 65.379 65.379 62.499 2.880 17578 305 1 1 . 1 1 59 59 CYS CB C 94 26.344 26.344 27.694 -1.350 17578 306 1 1 . 1 1 59 59 CYS H H 94 8.335 8.335 8.094 0.241 17578 307 1 1 . 1 1 60 60 GLU N N 95 120.777 120.777 119.767 1.010 17578 308 1 1 . 1 1 60 60 GLU HA H 95 4.209 4.209 4.145 0.064 17578 309 1 1 . 1 1 60 60 GLU CA C 95 59.760 59.760 58.639 1.121 17578 310 1 1 . 1 1 60 60 GLU CB C 95 29.201 29.201 29.450 -0.249 17578 311 1 1 . 1 1 60 60 GLU H H 95 8.235 8.235 8.218 0.017 17578 312 1 1 . 1 1 61 61 ASP N N 96 120.910 120.910 117.304 3.606 17578 313 1 1 . 1 1 61 61 ASP HA H 96 4.292 4.292 4.557 -0.265 17578 314 1 1 . 1 1 61 61 ASP C C 96 177.890 177.890 177.527 0.363 17578 315 1 1 . 1 1 61 61 ASP CA C 96 57.235 57.235 55.744 1.491 17578 316 1 1 . 1 1 61 61 ASP CB C 96 40.580 40.580 41.440 -0.860 17578 317 1 1 . 1 1 61 61 ASP H H 96 8.509 8.509 7.762 0.747 17578 318 1 1 . 1 1 62 62 HIS N N 97 115.923 115.923 116.834 -0.911 17578 319 1 1 . 1 1 62 62 HIS HA H 97 4.495 4.495 4.817 -0.322 17578 320 1 1 . 1 1 62 62 HIS C C 97 173.548 173.548 174.325 -0.777 17578 321 1 1 . 1 1 62 62 HIS CA C 97 57.290 57.290 55.823 1.467 17578 322 1 1 . 1 1 62 62 HIS CB C 97 29.997 29.997 32.147 -2.150 17578 323 1 1 . 1 1 62 62 HIS H H 97 7.635 7.635 7.859 -0.224 17578 324 1 1 . 1 1 63 63 SER N N 98 114.634 114.634 113.162 1.472 17578 325 1 1 . 1 1 63 63 SER HA H 98 4.489 4.489 4.177 0.312 17578 326 1 1 . 1 1 63 63 SER C C 98 173.949 173.949 172.425 1.524 17578 327 1 1 . 1 1 63 63 SER CA C 98 58.842 58.842 59.214 -0.372 17578 328 1 1 . 1 1 63 63 SER CB C 98 61.396 61.396 62.614 -1.218 17578 329 1 1 . 1 1 63 63 SER H H 98 7.888 7.888 7.947 -0.059 17578 330 1 1 . 1 1 64 64 VAL N N 99 123.090 123.090 123.283 -0.193 17578 331 1 1 . 1 1 64 64 VAL HA H 99 4.721 4.721 4.371 0.350 17578 332 1 1 . 1 1 64 64 VAL CA C 99 58.978 58.978 58.753 0.225 17578 333 1 1 . 1 1 64 64 VAL CB C 99 35.228 35.228 34.627 0.601 17578 334 1 1 . 1 1 64 64 VAL H H 99 8.590 8.590 7.847 0.743 17578 335 1 1 . 1 1 65 65 PRO HA H 100 4.263 4.263 4.097 0.166 17578 336 1 1 . 1 1 65 65 PRO C C 100 173.191 173.191 175.244 -2.053 17578 337 1 1 . 1 1 65 65 PRO CA C 100 63.427 63.427 62.544 0.883 17578 338 1 1 . 1 1 65 65 PRO CB C 100 31.863 31.863 32.294 -0.431 17578 339 1 1 . 1 1 66 66 TYR N N 101 114.702 114.702 117.889 -3.187 17578 340 1 1 . 1 1 66 66 TYR HA H 101 5.925 5.925 5.651 0.274 17578 341 1 1 . 1 1 66 66 TYR CA C 101 53.501 53.501 54.960 -1.459 17578 342 1 1 . 1 1 66 66 TYR CB C 101 41.793 41.793 41.699 0.094 17578 343 1 1 . 1 1 66 66 TYR H H 101 6.243 6.243 7.750 -1.507 17578 344 1 1 . 1 1 67 67 ILE N N 102 111.885 111.885 119.090 -7.205 17578 345 1 1 . 1 1 67 67 ILE HA H 102 4.502 4.502 4.530 -0.028 17578 346 1 1 . 1 1 67 67 ILE C C 102 172.358 172.358 174.184 -1.826 17578 347 1 1 . 1 1 67 67 ILE CA C 102 55.442 55.442 60.421 -4.979 17578 348 1 1 . 1 1 67 67 ILE CB C 102 43.124 43.124 42.469 0.655 17578 349 1 1 . 1 1 67 67 ILE H H 102 7.986 7.986 8.320 -0.334 17578 350 1 1 . 1 1 68 68 PHE N N 103 122.274 122.274 128.722 -6.448 17578 351 1 1 . 1 1 68 68 PHE HA H 103 5.087 5.087 5.288 -0.201 17578 352 1 1 . 1 1 68 68 PHE C C 103 176.173 176.173 175.144 1.029 17578 353 1 1 . 1 1 68 68 PHE CA C 103 56.103 56.103 56.815 -0.712 17578 354 1 1 . 1 1 68 68 PHE CB C 103 39.891 39.891 39.986 -0.095 17578 355 1 1 . 1 1 68 68 PHE H H 103 8.108 8.108 8.614 -0.506 17578 356 1 1 . 1 1 69 69 ILE N N 104 114.613 114.613 121.576 -6.963 17578 357 1 1 . 1 1 69 69 ILE HA H 104 4.927 4.927 4.779 0.148 17578 358 1 1 . 1 1 69 69 ILE CA C 104 57.831 57.831 57.988 -0.157 17578 359 1 1 . 1 1 69 69 ILE CB C 104 38.302 38.302 41.585 -3.283 17578 360 1 1 . 1 1 69 69 ILE H H 104 8.843 8.843 8.576 0.267 17578 361 1 1 . 1 1 70 70 PRO HA H 105 4.093 4.093 4.626 -0.533 17578 362 1 1 . 1 1 70 70 PRO CA C 105 66.439 66.439 62.689 3.750 17578 363 1 1 . 1 1 70 70 PRO CB C 105 32.879 32.879 29.838 3.041 17578 364 1 1 . 1 1 71 71 SER N N 106 106.896 106.896 116.964 -10.068 17578 365 1 1 . 1 1 71 71 SER HA H 106 5.227 5.227 4.626 0.601 17578 366 1 1 . 1 1 71 71 SER CA C 106 55.373 55.373 56.975 -1.602 17578 367 1 1 . 1 1 71 71 SER CB C 106 64.696 64.696 62.647 2.049 17578 368 1 1 . 1 1 71 71 SER H H 106 7.548 7.548 8.448 -0.900 17578 369 1 1 . 1 1 72 72 LYS N N 107 119.881 119.881 121.820 -1.939 17578 370 1 1 . 1 1 72 72 LYS HA H 107 4.191 4.191 3.717 0.474 17578 371 1 1 . 1 1 72 72 LYS CA C 107 58.623 58.623 59.872 -1.249 17578 372 1 1 . 1 1 72 72 LYS CB C 107 30.957 30.957 31.279 -0.322 17578 373 1 1 . 1 1 72 72 LYS H H 107 8.328 8.328 7.547 0.781 17578 374 1 1 . 1 1 73 73 GLN N N 108 123.720 123.720 118.914 4.806 17578 375 1 1 . 1 1 73 73 GLN HA H 108 4.013 4.013 4.045 -0.032 17578 376 1 1 . 1 1 73 73 GLN CA C 108 58.621 58.621 59.017 -0.396 17578 377 1 1 . 1 1 73 73 GLN CB C 108 28.331 28.331 27.441 0.890 17578 378 1 1 . 1 1 73 73 GLN H H 108 8.543 8.543 8.678 -0.135 17578 379 1 1 . 1 1 74 74 ASP N N 109 121.068 121.068 119.980 1.088 17578 380 1 1 . 1 1 74 74 ASP HA H 109 4.353 4.353 4.360 -0.007 17578 381 1 1 . 1 1 74 74 ASP CA C 109 56.941 56.941 57.037 -0.096 17578 382 1 1 . 1 1 74 74 ASP CB C 109 40.403 40.403 39.953 0.450 17578 383 1 1 . 1 1 74 74 ASP H H 109 7.998 7.998 8.398 -0.400 17578 384 1 1 . 1 1 75 75 LEU N N 110 120.670 120.670 120.256 0.414 17578 385 1 1 . 1 1 75 75 LEU HA H 110 3.967 3.967 3.898 0.069 17578 386 1 1 . 1 1 75 75 LEU C C 110 178.753 178.753 179.282 -0.529 17578 387 1 1 . 1 1 75 75 LEU CA C 110 57.080 57.080 57.757 -0.677 17578 388 1 1 . 1 1 75 75 LEU CB C 110 41.235 41.235 41.478 -0.243 17578 389 1 1 . 1 1 75 75 LEU H H 110 7.999 7.999 8.538 -0.539 17578 390 1 1 . 1 1 76 76 GLY N N 111 105.512 105.512 106.072 -0.560 17578 391 1 1 . 1 1 76 76 GLY C C 111 175.517 175.517 175.573 -0.056 17578 392 1 1 . 1 1 76 76 GLY CA C 111 46.745 46.745 47.108 -0.363 17578 393 1 1 . 1 1 76 76 GLY H H 111 8.012 8.012 8.091 -0.079 17578 394 1 1 . 1 1 77 77 ALA N N 112 122.891 122.891 125.035 -2.144 17578 395 1 1 . 1 1 77 77 ALA HA H 112 4.180 4.180 3.989 0.191 17578 396 1 1 . 1 1 77 77 ALA CA C 112 53.652 53.652 54.676 -1.024 17578 397 1 1 . 1 1 77 77 ALA CB C 112 18.482 18.482 18.483 -0.001 17578 398 1 1 . 1 1 77 77 ALA H H 112 7.785 7.785 8.026 -0.241 17578 399 1 1 . 1 1 78 78 ALA N N 113 121.205 121.205 120.704 0.501 17578 400 1 1 . 1 1 78 78 ALA HA H 113 4.213 4.213 3.970 0.243 17578 401 1 1 . 1 1 78 78 ALA CA C 113 53.503 53.503 54.538 -1.035 17578 402 1 1 . 1 1 78 78 ALA CB C 113 18.897 18.897 18.786 0.111 17578 403 1 1 . 1 1 78 78 ALA H H 113 7.787 7.787 8.406 -0.619 17578 404 1 1 . 1 1 79 79 GLY N N 114 104.082 104.082 103.585 0.497 17578 405 1 1 . 1 1 79 79 GLY CA C 114 44.764 44.764 44.364 0.400 17578 406 1 1 . 1 1 79 79 GLY H H 114 7.756 7.756 7.817 -0.061 17578 407 1 1 . 1 1 80 80 ALA HA H 115 4.061 4.061 3.955 0.106 17578 408 1 1 . 1 1 80 80 ALA CA C 115 53.192 53.192 52.793 0.399 17578 409 1 1 . 1 1 80 80 ALA CB C 115 19.493 19.493 16.794 2.699 17578 410 1 1 . 1 1 81 81 THR N N 116 116.258 116.258 113.184 3.074 17578 411 1 1 . 1 1 81 81 THR CA C 116 57.223 57.223 59.903 -2.679 17578 412 1 1 . 1 1 81 81 THR CB C 116 64.784 64.784 70.506 -5.722 17578 413 1 1 . 1 1 81 81 THR H H 116 8.121 8.121 7.941 0.180 17578 414 1 1 . 1 1 83 83 ARG N N 118 122.269 122.269 118.690 3.579 17578 415 1 1 . 1 1 83 83 ARG H H 118 8.128 8.128 8.079 0.049 17578 416 1 1 . 1 1 85 85 THR N N 120 120.171 120.171 117.284 2.887 17578 417 1 1 . 1 1 85 85 THR C C 120 172.729 172.729 175.525 -2.796 17578 418 1 1 . 1 1 85 85 THR H H 120 8.127 8.127 8.231 -0.104 17578 419 1 1 . 1 1 86 86 SER N N 121 115.808 115.808 115.685 0.123 17578 420 1 1 . 1 1 86 86 SER HA H 121 4.280 4.280 4.453 -0.173 17578 421 1 1 . 1 1 86 86 SER CA C 121 59.573 59.573 59.447 0.126 17578 422 1 1 . 1 1 86 86 SER CB C 121 64.384 64.384 64.817 -0.433 17578 423 1 1 . 1 1 86 86 SER H H 121 7.045 7.045 8.225 -1.180 17578 424 1 1 . 1 1 87 87 VAL N N 122 115.790 115.790 118.123 -2.333 17578 425 1 1 . 1 1 87 87 VAL HA H 122 5.203 5.203 4.635 0.568 17578 426 1 1 . 1 1 87 87 VAL CA C 122 59.412 59.412 60.583 -1.171 17578 427 1 1 . 1 1 87 87 VAL CB C 122 32.729 32.729 32.272 0.457 17578 428 1 1 . 1 1 87 87 VAL H H 122 7.082 7.082 7.547 -0.465 17578 429 1 1 . 1 1 88 88 VAL N N 123 119.313 119.313 128.516 -9.203 17578 430 1 1 . 1 1 88 88 VAL HA H 123 5.097 5.097 4.886 0.211 17578 431 1 1 . 1 1 88 88 VAL C C 123 172.990 172.990 173.494 -0.504 17578 432 1 1 . 1 1 88 88 VAL CA C 123 58.925 58.925 59.674 -0.749 17578 433 1 1 . 1 1 88 88 VAL CB C 123 35.929 35.929 34.833 1.096 17578 434 1 1 . 1 1 88 88 VAL H H 123 8.948 8.948 8.277 0.671 17578 435 1 1 . 1 1 89 89 PHE N N 124 122.616 122.616 128.766 -6.150 17578 436 1 1 . 1 1 89 89 PHE HA H 124 5.641 5.641 5.482 0.159 17578 437 1 1 . 1 1 89 89 PHE C C 124 174.686 174.686 173.171 1.515 17578 438 1 1 . 1 1 89 89 PHE CA C 124 52.579 52.579 54.153 -1.574 17578 439 1 1 . 1 1 89 89 PHE CB C 124 42.392 42.392 42.448 -0.056 17578 440 1 1 . 1 1 89 89 PHE H H 124 9.065 9.065 9.110 -0.045 17578 441 1 1 . 1 1 90 90 ILE N N 125 127.599 127.599 122.626 4.973 17578 442 1 1 . 1 1 90 90 ILE HA H 125 4.268 4.268 3.981 0.287 17578 443 1 1 . 1 1 90 90 ILE C C 125 173.652 173.652 174.878 -1.226 17578 444 1 1 . 1 1 90 90 ILE CA C 125 61.605 61.605 59.678 1.927 17578 445 1 1 . 1 1 90 90 ILE CB C 125 39.533 39.533 38.983 0.549 17578 446 1 1 . 1 1 90 90 ILE H H 125 9.498 9.498 9.125 0.373 17578 447 1 1 . 1 1 91 91 VAL N N 126 126.693 126.693 125.117 1.576 17578 448 1 1 . 1 1 91 91 VAL HA H 126 4.595 4.595 4.702 -0.107 17578 449 1 1 . 1 1 91 91 VAL CA C 126 58.380 58.380 58.593 -0.213 17578 450 1 1 . 1 1 91 91 VAL CB C 126 32.597 32.597 31.896 0.701 17578 451 1 1 . 1 1 91 91 VAL H H 126 8.169 8.169 8.305 -0.136 17578 452 1 1 . 1 1 92 92 PRO HA H 127 4.044 4.044 4.576 -0.532 17578 453 1 1 . 1 1 92 92 PRO CA C 127 63.380 63.380 62.911 0.469 17578 454 1 1 . 1 1 92 92 PRO CB C 127 31.735 31.735 30.314 1.421 17578 455 1 1 . 1 1 93 93 GLY N N 128 108.589 108.589 114.094 -5.505 17578 456 1 1 . 1 1 93 93 GLY CA C 128 45.443 45.443 45.929 -0.486 17578 457 1 1 . 1 1 93 93 GLY H H 128 8.022 8.022 8.273 -0.251 17578 458 1 1 . 1 1 94 94 SER N N 129 113.115 113.115 114.434 -1.319 17578 459 1 1 . 1 1 94 94 SER H H 129 7.992 7.992 7.864 0.128 17578 460 1 1 . 1 1 95 95 ASN N N 130 120.738 120.738 118.669 2.069 17578 461 1 1 . 1 1 95 95 ASN C C 130 178.419 178.419 176.064 2.355 17578 462 1 1 . 1 1 95 95 ASN CA C 130 57.337 57.337 56.783 0.554 17578 463 1 1 . 1 1 95 95 ASN CB C 130 41.958 41.958 38.572 3.386 17578 464 1 1 . 1 1 95 95 ASN H H 130 8.313 8.313 8.831 -0.518 17578 465 1 1 . 1 1 96 96 LYS N N 131 119.159 119.159 117.782 1.377 17578 466 1 1 . 1 1 96 96 LYS HA H 131 4.021 4.021 4.278 -0.257 17578 467 1 1 . 1 1 96 96 LYS CA C 131 58.749 58.749 58.744 0.005 17578 468 1 1 . 1 1 96 96 LYS CB C 131 29.565 29.565 32.595 -3.030 17578 469 1 1 . 1 1 96 96 LYS H H 131 7.881 7.881 8.335 -0.454 17578 470 1 1 . 1 1 97 97 LYS N N 132 117.399 117.399 120.240 -2.841 17578 471 1 1 . 1 1 97 97 LYS CA C 132 58.413 58.413 58.272 0.141 17578 472 1 1 . 1 1 97 97 LYS CB C 132 30.694 30.694 31.767 -1.073 17578 473 1 1 . 1 1 97 97 LYS H H 132 7.765 7.765 8.362 -0.597 17578 474 1 1 . 1 1 98 98 LYS N N 133 119.160 119.160 116.773 2.387 17578 475 1 1 . 1 1 98 98 LYS CA C 133 58.266 58.266 58.545 -0.279 17578 476 1 1 . 1 1 98 98 LYS CB C 133 30.981 30.981 31.717 -0.736 17578 477 1 1 . 1 1 98 98 LYS H H 133 8.070 8.070 7.883 0.187 17578 478 1 1 . 1 1 99 99 ASP N N 134 120.602 120.602 119.818 0.784 17578 479 1 1 . 1 1 99 99 ASP CA C 134 55.586 55.586 52.934 2.651 17578 480 1 1 . 1 1 99 99 ASP CB C 134 41.898 41.898 40.197 1.701 17578 481 1 1 . 1 1 99 99 ASP H H 134 8.255 8.255 7.572 0.682 17578 482 1 1 . 1 1 100 100 GLY N N 135 108.785 108.785 107.766 1.019 17578 483 1 1 . 1 1 100 100 GLY CA C 135 45.536 45.536 45.028 0.508 17578 484 1 1 . 1 1 100 100 GLY H H 135 8.451 8.451 7.590 0.861 17578 485 1 1 . 1 1 101 101 LYS N N 136 120.171 120.171 118.613 1.558 17578 486 1 1 . 1 1 101 101 LYS H H 136 8.127 8.127 8.233 -0.106 17578 487 1 1 . 1 1 102 102 ASN N N 137 118.588 118.588 117.519 1.069 17578 488 1 1 . 1 1 102 102 ASN H H 137 8.481 8.481 8.047 0.434 17578 489 1 1 . 1 1 103 103 LYS N N 138 121.739 121.739 119.670 2.069 17578 490 1 1 . 1 1 103 103 LYS HA H 138 4.241 4.241 3.860 0.381 17578 491 1 1 . 1 1 103 103 LYS CA C 138 56.760 56.760 58.655 -1.895 17578 492 1 1 . 1 1 103 103 LYS CB C 138 32.691 32.691 31.518 1.173 17578 493 1 1 . 1 1 103 103 LYS H H 138 8.318 8.318 8.567 -0.249 17578 494 1 1 . 1 1 104 104 GLU N N 139 120.980 120.980 120.480 0.500 17578 495 1 1 . 1 1 104 104 GLU CA C 139 57.235 57.235 59.764 -2.529 17578 496 1 1 . 1 1 104 104 GLU CB C 139 29.893 29.893 29.049 0.844 17578 497 1 1 . 1 1 104 104 GLU H H 139 8.478 8.478 8.567 -0.089 17578 498 1 1 . 1 1 107 107 TYR N N 142 119.214 119.214 118.700 0.514 17578 499 1 1 . 1 1 107 107 TYR HA H 142 5.023 5.023 3.944 1.079 17578 500 1 1 . 1 1 107 107 TYR C C 142 175.419 175.419 177.972 -2.553 17578 501 1 1 . 1 1 107 107 TYR CA C 142 57.200 57.200 58.426 -1.226 17578 502 1 1 . 1 1 107 107 TYR CB C 142 39.165 39.165 37.166 1.999 17578 503 1 1 . 1 1 107 107 TYR H H 142 7.992 7.992 7.590 0.402 17578 504 1 1 . 1 1 108 108 LYS N N 143 123.500 123.500 119.110 4.390 17578 505 1 1 . 1 1 108 108 LYS HA H 143 3.628 3.628 3.843 -0.215 17578 506 1 1 . 1 1 108 108 LYS CA C 143 59.619 59.619 60.142 -0.523 17578 507 1 1 . 1 1 108 108 LYS CB C 143 31.869 31.869 32.271 -0.402 17578 508 1 1 . 1 1 108 108 LYS H H 143 7.377 7.377 8.331 -0.954 17578 509 1 1 . 1 1 109 109 GLU N N 144 118.669 118.669 119.306 -0.637 17578 510 1 1 . 1 1 109 109 GLU HA H 144 4.735 4.735 4.013 0.722 17578 511 1 1 . 1 1 109 109 GLU CA C 144 59.865 59.865 59.525 0.340 17578 512 1 1 . 1 1 109 109 GLU CB C 144 29.004 29.004 29.236 -0.232 17578 513 1 1 . 1 1 109 109 GLU H H 144 8.583 8.583 8.022 0.561 17578 514 1 1 . 1 1 110 110 SER N N 145 116.081 116.081 115.885 0.196 17578 515 1 1 . 1 1 110 110 SER HA H 145 4.448 4.448 4.270 0.178 17578 516 1 1 . 1 1 110 110 SER CB C 145 64.178 64.178 62.918 1.260 17578 517 1 1 . 1 1 110 110 SER H H 145 8.117 8.117 7.944 0.173 17578 518 1 1 . 1 1 111 111 PHE N N 146 122.134 122.134 122.340 -0.206 17578 519 1 1 . 1 1 111 111 PHE HA H 146 4.022 4.022 4.204 -0.182 17578 520 1 1 . 1 1 111 111 PHE C C 146 175.751 175.751 177.613 -1.862 17578 521 1 1 . 1 1 111 111 PHE CA C 146 62.159 62.159 59.294 2.865 17578 522 1 1 . 1 1 111 111 PHE CB C 146 39.533 39.533 38.141 1.392 17578 523 1 1 . 1 1 111 111 PHE H H 146 8.553 8.553 8.168 0.385 17578 524 1 1 . 1 1 112 112 ASN N N 147 117.856 117.856 117.935 -0.079 17578 525 1 1 . 1 1 112 112 ASN HA H 147 4.269 4.269 4.312 -0.043 17578 526 1 1 . 1 1 112 112 ASN CA C 147 55.881 55.881 57.026 -1.145 17578 527 1 1 . 1 1 112 112 ASN CB C 147 37.663 37.663 38.609 -0.946 17578 528 1 1 . 1 1 112 112 ASN H H 147 8.809 8.809 8.770 0.039 17578 529 1 1 . 1 1 113 113 GLU N N 148 119.708 119.708 119.740 -0.032 17578 530 1 1 . 1 1 113 113 GLU HA H 148 4.021 4.021 4.042 -0.021 17578 531 1 1 . 1 1 113 113 GLU CA C 148 59.385 59.385 59.417 -0.032 17578 532 1 1 . 1 1 113 113 GLU CB C 148 29.784 29.784 29.607 0.177 17578 533 1 1 . 1 1 113 113 GLU H H 148 7.778 7.778 7.906 -0.128 17578 534 1 1 . 1 1 114 114 VAL N N 149 119.680 119.680 119.638 0.042 17578 535 1 1 . 1 1 114 114 VAL HA H 149 3.556 3.556 3.684 -0.128 17578 536 1 1 . 1 1 114 114 VAL CA C 149 66.625 66.625 67.233 -0.608 17578 537 1 1 . 1 1 114 114 VAL CB C 149 31.368 31.368 32.061 -0.693 17578 538 1 1 . 1 1 114 114 VAL H H 149 8.023 8.023 7.926 0.096 17578 539 1 1 . 1 1 115 115 VAL N N 150 119.684 119.684 116.354 3.330 17578 540 1 1 . 1 1 115 115 VAL HA H 150 3.163 3.163 3.646 -0.483 17578 541 1 1 . 1 1 115 115 VAL C C 150 177.270 177.270 177.851 -0.581 17578 542 1 1 . 1 1 115 115 VAL CA C 150 67.984 67.984 66.177 1.807 17578 543 1 1 . 1 1 115 115 VAL CB C 150 30.848 30.848 31.396 -0.548 17578 544 1 1 . 1 1 115 115 VAL H H 150 8.480 8.480 8.573 -0.093 17578 545 1 1 . 1 1 116 116 LYS N N 151 118.648 118.648 119.938 -1.290 17578 546 1 1 . 1 1 116 116 LYS HA H 151 4.027 4.027 4.029 -0.002 17578 547 1 1 . 1 1 116 116 LYS CA C 151 59.691 59.691 58.904 0.787 17578 548 1 1 . 1 1 116 116 LYS CB C 151 32.346 32.346 31.687 0.659 17578 549 1 1 . 1 1 116 116 LYS H H 151 7.584 7.584 7.894 -0.310 17578 550 1 1 . 1 1 117 117 GLU N N 152 120.177 120.177 120.406 -0.229 17578 551 1 1 . 1 1 117 117 GLU HA H 152 4.046 4.046 4.042 0.004 17578 552 1 1 . 1 1 117 117 GLU CA C 152 59.932 59.932 59.715 0.217 17578 553 1 1 . 1 1 117 117 GLU CB C 152 29.663 29.663 29.713 -0.050 17578 554 1 1 . 1 1 117 117 GLU H H 152 7.528 7.528 7.815 -0.287 17578 555 1 1 . 1 1 118 118 VAL N N 153 120.413 120.413 119.284 1.129 17578 556 1 1 . 1 1 118 118 VAL HA H 153 3.421 3.421 3.785 -0.364 17578 557 1 1 . 1 1 118 118 VAL CA C 153 67.196 67.196 65.618 1.578 17578 558 1 1 . 1 1 118 118 VAL CB C 153 31.600 31.600 32.045 -0.446 17578 559 1 1 . 1 1 118 118 VAL H H 153 8.665 8.665 7.902 0.763 17578 560 1 1 . 1 1 119 119 GLN N N 154 118.232 118.232 119.055 -0.823 17578 561 1 1 . 1 1 119 119 GLN HA H 154 3.982 3.982 4.042 -0.060 17578 562 1 1 . 1 1 119 119 GLN CA C 154 59.651 59.651 58.203 1.448 17578 563 1 1 . 1 1 119 119 GLN CB C 154 28.478 28.478 28.876 -0.398 17578 564 1 1 . 1 1 119 119 GLN H H 154 8.950 8.950 7.870 1.080 17578 565 1 1 . 1 1 120 120 ALA N N 155 120.568 120.568 122.246 -1.678 17578 566 1 1 . 1 1 120 120 ALA HA H 155 4.223 4.223 4.217 0.006 17578 567 1 1 . 1 1 120 120 ALA CA C 155 55.071 55.071 53.255 1.816 17578 568 1 1 . 1 1 120 120 ALA CB C 155 17.952 17.952 19.387 -1.435 17578 569 1 1 . 1 1 120 120 ALA H H 155 7.486 7.486 7.976 -0.490 17578 570 1 2 . 1 1 2 2 LYS N N 37 124.035 124.035 123.041 0.994 17578 571 1 2 . 1 1 2 2 LYS HA H 37 4.064 4.064 4.219 -0.155 17578 572 1 2 . 1 1 2 2 LYS H H 37 7.786 7.786 8.406 -0.620 17578 573 1 2 . 1 1 3 3 LYS HA H 38 4.026 4.026 4.274 -0.248 17578 574 1 2 . 1 1 3 3 LYS C C 38 179.176 179.176 178.278 0.898 17578 575 1 2 . 1 1 3 3 LYS CA C 38 59.781 59.781 58.668 1.113 17578 576 1 2 . 1 1 3 3 LYS CB C 38 32.626 32.626 32.105 0.521 17578 577 1 2 . 1 1 4 4 LEU N N 39 122.003 122.003 121.575 0.428 17578 578 1 2 . 1 1 4 4 LEU HA H 39 4.159 4.159 3.948 0.211 17578 579 1 2 . 1 1 4 4 LEU C C 39 178.232 178.232 178.863 -0.631 17578 580 1 2 . 1 1 4 4 LEU CA C 39 57.470 57.470 58.050 -0.580 17578 581 1 2 . 1 1 4 4 LEU CB C 39 40.343 40.343 41.148 -0.805 17578 582 1 2 . 1 1 4 4 LEU H H 39 7.877 7.877 8.114 -0.237 17578 583 1 2 . 1 1 5 5 ASN N N 40 118.692 118.692 116.205 2.487 17578 584 1 2 . 1 1 5 5 ASN HA H 40 3.997 3.997 4.254 -0.257 17578 585 1 2 . 1 1 5 5 ASN C C 40 176.054 176.054 177.200 -1.146 17578 586 1 2 . 1 1 5 5 ASN CA C 40 57.622 57.622 56.686 0.936 17578 587 1 2 . 1 1 5 5 ASN CB C 40 40.113 40.113 38.429 1.684 17578 588 1 2 . 1 1 5 5 ASN H H 40 9.313 9.313 7.770 1.543 17578 589 1 2 . 1 1 6 6 LYS N N 41 115.497 115.497 120.676 -5.179 17578 590 1 2 . 1 1 6 6 LYS HA H 41 3.928 3.928 3.850 0.078 17578 591 1 2 . 1 1 6 6 LYS C C 41 179.133 179.133 178.813 0.320 17578 592 1 2 . 1 1 6 6 LYS CA C 41 59.909 59.909 59.532 0.377 17578 593 1 2 . 1 1 6 6 LYS CB C 41 32.256 32.256 32.217 0.039 17578 594 1 2 . 1 1 6 6 LYS H H 41 7.230 7.230 7.843 -0.613 17578 595 1 2 . 1 1 7 7 LYS N N 42 118.961 118.961 119.249 -0.288 17578 596 1 2 . 1 1 7 7 LYS HA H 42 4.040 4.040 3.942 0.098 17578 597 1 2 . 1 1 7 7 LYS C C 42 180.272 180.272 179.121 1.151 17578 598 1 2 . 1 1 7 7 LYS CA C 42 59.988 59.988 59.664 0.324 17578 599 1 2 . 1 1 7 7 LYS CB C 42 33.462 33.462 32.393 1.069 17578 600 1 2 . 1 1 7 7 LYS H H 42 7.367 7.367 8.216 -0.849 17578 601 1 2 . 1 1 8 8 VAL N N 43 122.400 122.400 119.572 2.828 17578 602 1 2 . 1 1 8 8 VAL HA H 43 3.303 3.303 3.921 -0.618 17578 603 1 2 . 1 1 8 8 VAL CA C 43 67.430 67.430 66.937 0.493 17578 604 1 2 . 1 1 8 8 VAL CB C 43 31.374 31.374 31.461 -0.087 17578 605 1 2 . 1 1 8 8 VAL H H 43 9.215 9.215 8.201 1.014 17578 606 1 2 . 1 1 9 9 LEU N N 44 119.626 119.626 121.494 -1.868 17578 607 1 2 . 1 1 9 9 LEU HA H 44 3.833 3.833 3.967 -0.134 17578 608 1 2 . 1 1 9 9 LEU CA C 44 58.453 58.453 58.360 0.093 17578 609 1 2 . 1 1 9 9 LEU CB C 44 41.171 41.171 41.718 -0.547 17578 610 1 2 . 1 1 9 9 LEU H H 44 8.471 8.471 8.358 0.113 17578 611 1 2 . 1 1 10 10 LYS N N 45 119.761 119.761 118.681 1.080 17578 612 1 2 . 1 1 10 10 LYS HA H 45 4.026 4.026 4.034 -0.008 17578 613 1 2 . 1 1 10 10 LYS CA C 45 59.919 59.919 58.830 1.089 17578 614 1 2 . 1 1 10 10 LYS CB C 45 32.430 32.430 31.567 0.863 17578 615 1 2 . 1 1 10 10 LYS H H 45 7.883 7.883 8.186 -0.303 17578 616 1 2 . 1 1 11 11 THR N N 46 116.469 116.469 117.417 -0.948 17578 617 1 2 . 1 1 11 11 THR HA H 46 4.339 4.339 3.447 0.892 17578 618 1 2 . 1 1 11 11 THR C C 46 175.987 175.987 176.041 -0.054 17578 619 1 2 . 1 1 11 11 THR CB C 46 68.013 68.013 68.082 -0.069 17578 620 1 2 . 1 1 11 11 THR H H 46 7.805 7.805 7.990 -0.185 17578 621 1 2 . 1 1 12 12 VAL N N 47 121.907 121.907 121.419 0.488 17578 622 1 2 . 1 1 12 12 VAL HA H 47 3.232 3.232 3.945 -0.713 17578 623 1 2 . 1 1 12 12 VAL CA C 47 67.331 67.331 66.091 1.240 17578 624 1 2 . 1 1 12 12 VAL CB C 47 31.438 31.438 31.806 -0.368 17578 625 1 2 . 1 1 12 12 VAL H H 47 8.782 8.782 8.350 0.432 17578 626 1 2 . 1 1 13 13 LYS N N 48 122.393 122.393 119.431 2.962 17578 627 1 2 . 1 1 13 13 LYS HA H 48 4.258 4.258 4.019 0.239 17578 628 1 2 . 1 1 13 13 LYS C C 48 179.808 179.808 178.912 0.896 17578 629 1 2 . 1 1 13 13 LYS CA C 48 59.999 59.999 59.417 0.582 17578 630 1 2 . 1 1 13 13 LYS CB C 48 32.553 32.553 32.181 0.372 17578 631 1 2 . 1 1 13 13 LYS H H 48 8.171 8.171 7.937 0.234 17578 632 1 2 . 1 1 14 14 LYS N N 49 118.852 118.852 118.942 -0.090 17578 633 1 2 . 1 1 14 14 LYS HA H 49 3.973 3.973 4.213 -0.240 17578 634 1 2 . 1 1 14 14 LYS CA C 49 59.811 59.811 58.097 1.714 17578 635 1 2 . 1 1 14 14 LYS CB C 49 33.389 33.389 32.257 1.132 17578 636 1 2 . 1 1 14 14 LYS H H 49 7.941 7.941 7.793 0.148 17578 637 1 2 . 1 1 15 15 ALA N N 50 122.047 122.047 122.528 -0.481 17578 638 1 2 . 1 1 15 15 ALA HA H 50 3.496 3.496 4.109 -0.613 17578 639 1 2 . 1 1 15 15 ALA CA C 50 54.709 54.709 55.067 -0.358 17578 640 1 2 . 1 1 15 15 ALA CB C 50 18.917 18.917 17.879 1.038 17578 641 1 2 . 1 1 15 15 ALA H H 50 8.544 8.544 8.269 0.275 17578 642 1 2 . 1 1 16 16 SER N N 51 116.561 116.561 113.868 2.693 17578 643 1 2 . 1 1 16 16 SER HA H 51 4.730 4.730 4.140 0.590 17578 644 1 2 . 1 1 16 16 SER C C 51 178.560 178.560 177.040 1.520 17578 645 1 2 . 1 1 16 16 SER CA C 51 61.680 61.680 61.430 0.250 17578 646 1 2 . 1 1 16 16 SER CB C 51 62.551 62.551 62.953 -0.402 17578 647 1 2 . 1 1 16 16 SER H H 51 8.551 8.551 8.183 0.368 17578 648 1 2 . 1 1 17 17 LYS N N 52 124.890 124.890 121.732 3.158 17578 649 1 2 . 1 1 17 17 LYS HA H 52 4.072 4.072 4.129 -0.057 17578 650 1 2 . 1 1 17 17 LYS C C 52 177.377 177.377 177.362 0.015 17578 651 1 2 . 1 1 17 17 LYS CA C 52 58.931 58.931 58.484 0.447 17578 652 1 2 . 1 1 17 17 LYS CB C 52 31.961 31.961 32.621 -0.660 17578 653 1 2 . 1 1 17 17 LYS H H 52 7.578 7.578 7.985 -0.407 17578 654 1 2 . 1 1 18 18 ALA N N 53 118.628 118.628 118.653 -0.025 17578 655 1 2 . 1 1 18 18 ALA HA H 53 4.285 4.285 4.324 -0.039 17578 656 1 2 . 1 1 18 18 ALA C C 53 175.061 175.061 176.546 -1.485 17578 657 1 2 . 1 1 18 18 ALA CA C 53 51.822 51.822 51.589 0.233 17578 658 1 2 . 1 1 18 18 ALA CB C 53 19.390 19.390 19.146 0.244 17578 659 1 2 . 1 1 18 18 ALA H H 53 7.112 7.112 7.540 -0.428 17578 660 1 2 . 1 1 19 19 LYS N N 54 111.984 111.984 116.859 -4.875 17578 661 1 2 . 1 1 19 19 LYS HA H 54 4.026 4.026 3.998 0.028 17578 662 1 2 . 1 1 19 19 LYS CA C 54 57.222 57.222 57.190 0.032 17578 663 1 2 . 1 1 19 19 LYS CB C 54 28.387 28.387 30.046 -1.659 17578 664 1 2 . 1 1 19 19 LYS H H 54 7.653 7.653 7.828 -0.175 17578 665 1 2 . 1 1 20 20 ASN N N 55 116.088 116.088 115.218 0.870 17578 666 1 2 . 1 1 20 20 ASN HA H 55 5.102 5.102 4.806 0.296 17578 667 1 2 . 1 1 20 20 ASN C C 55 172.975 172.975 174.000 -1.025 17578 668 1 2 . 1 1 20 20 ASN CA C 55 51.215 51.215 53.285 -2.070 17578 669 1 2 . 1 1 20 20 ASN CB C 55 40.316 40.316 40.191 0.125 17578 670 1 2 . 1 1 20 20 ASN H H 55 8.118 8.118 7.696 0.422 17578 671 1 2 . 1 1 21 21 VAL N N 56 114.959 114.959 118.400 -3.441 17578 672 1 2 . 1 1 21 21 VAL HA H 56 4.938 4.938 4.073 0.865 17578 673 1 2 . 1 1 21 21 VAL C C 56 175.409 175.409 173.796 1.613 17578 674 1 2 . 1 1 21 21 VAL CA C 56 60.901 60.901 59.724 1.177 17578 675 1 2 . 1 1 21 21 VAL CB C 56 35.368 35.368 33.990 1.378 17578 676 1 2 . 1 1 21 21 VAL H H 56 7.628 7.628 7.503 0.125 17578 677 1 2 . 1 1 22 22 LYS N N 57 126.485 126.485 126.668 -0.183 17578 678 1 2 . 1 1 22 22 LYS HA H 57 4.712 4.712 4.592 0.120 17578 679 1 2 . 1 1 22 22 LYS C C 57 175.394 175.394 174.647 0.747 17578 680 1 2 . 1 1 22 22 LYS CA C 57 54.485 54.485 54.475 0.010 17578 681 1 2 . 1 1 22 22 LYS CB C 57 33.669 33.669 36.322 -2.653 17578 682 1 2 . 1 1 22 22 LYS H H 57 8.987 8.987 8.575 0.412 17578 683 1 2 . 1 1 23 23 ARG N N 58 122.011 122.011 120.060 1.951 17578 684 1 2 . 1 1 23 23 ARG HA H 58 4.837 4.837 4.863 -0.026 17578 685 1 2 . 1 1 23 23 ARG C C 58 175.930 175.930 175.510 0.420 17578 686 1 2 . 1 1 23 23 ARG CA C 58 55.872 55.872 55.238 0.634 17578 687 1 2 . 1 1 23 23 ARG CB C 58 33.513 33.513 32.379 1.134 17578 688 1 2 . 1 1 23 23 ARG H H 58 9.024 9.024 8.536 0.488 17578 689 1 2 . 1 1 24 24 GLY N N 59 111.007 111.007 112.711 -1.704 17578 690 1 2 . 1 1 24 24 GLY CA C 59 44.790 44.790 44.740 0.050 17578 691 1 2 . 1 1 24 24 GLY H H 59 8.315 8.315 8.923 -0.608 17578 692 1 2 . 1 1 25 25 VAL N N 60 119.423 119.423 121.730 -2.307 17578 693 1 2 . 1 1 25 25 VAL HA H 60 3.156 3.156 3.751 -0.595 17578 694 1 2 . 1 1 25 25 VAL C C 60 176.562 176.562 176.876 -0.314 17578 695 1 2 . 1 1 25 25 VAL CA C 60 68.037 68.037 65.238 2.799 17578 696 1 2 . 1 1 25 25 VAL CB C 60 32.050 32.050 32.128 -0.078 17578 697 1 2 . 1 1 25 25 VAL H H 60 8.152 8.152 8.390 -0.238 17578 698 1 2 . 1 1 26 26 LYS N N 61 117.316 117.316 117.773 -0.457 17578 699 1 2 . 1 1 26 26 LYS HA H 61 3.919 3.919 4.072 -0.153 17578 700 1 2 . 1 1 26 26 LYS C C 61 180.130 180.130 178.921 1.209 17578 701 1 2 . 1 1 26 26 LYS CA C 61 60.157 60.157 59.312 0.845 17578 702 1 2 . 1 1 26 26 LYS CB C 61 32.041 32.041 31.698 0.343 17578 703 1 2 . 1 1 26 26 LYS H H 61 8.156 8.156 8.674 -0.518 17578 704 1 2 . 1 1 27 27 GLU N N 62 117.535 117.535 119.355 -1.820 17578 705 1 2 . 1 1 27 27 GLU HA H 62 3.961 3.961 4.236 -0.275 17578 706 1 2 . 1 1 27 27 GLU CA C 62 58.787 58.787 58.955 -0.168 17578 707 1 2 . 1 1 27 27 GLU CB C 62 29.843 29.843 29.578 0.265 17578 708 1 2 . 1 1 27 27 GLU H H 62 8.531 8.531 7.739 0.792 17578 709 1 2 . 1 1 28 28 VAL N N 63 120.589 120.589 117.485 3.104 17578 710 1 2 . 1 1 28 28 VAL HA H 63 3.498 3.498 2.895 0.603 17578 711 1 2 . 1 1 28 28 VAL CA C 63 68.099 68.099 66.203 1.897 17578 712 1 2 . 1 1 28 28 VAL CB C 63 31.376 31.376 31.299 0.077 17578 713 1 2 . 1 1 28 28 VAL H H 63 8.255 8.255 8.001 0.254 17578 714 1 2 . 1 1 29 29 VAL N N 64 118.570 118.570 120.375 -1.805 17578 715 1 2 . 1 1 29 29 VAL HA H 64 3.359 3.359 3.535 -0.176 17578 716 1 2 . 1 1 29 29 VAL C C 64 177.549 177.549 177.587 -0.038 17578 717 1 2 . 1 1 29 29 VAL CA C 64 67.456 67.456 66.706 0.750 17578 718 1 2 . 1 1 29 29 VAL CB C 64 31.233 31.233 31.292 -0.059 17578 719 1 2 . 1 1 29 29 VAL H H 64 8.535 8.535 7.990 0.545 17578 720 1 2 . 1 1 30 30 LYS N N 65 117.926 117.926 120.089 -2.163 17578 721 1 2 . 1 1 30 30 LYS HA H 65 3.875 3.875 3.875 0.000 17578 722 1 2 . 1 1 30 30 LYS CA C 65 59.811 59.811 59.684 0.127 17578 723 1 2 . 1 1 30 30 LYS CB C 65 32.715 32.715 32.367 0.348 17578 724 1 2 . 1 1 30 30 LYS H H 65 7.538 7.538 7.816 -0.278 17578 725 1 2 . 1 1 31 31 ALA N N 66 120.475 120.475 121.316 -0.841 17578 726 1 2 . 1 1 31 31 ALA HA H 66 4.071 4.071 4.080 -0.009 17578 727 1 2 . 1 1 31 31 ALA C C 66 179.596 179.596 179.219 0.377 17578 728 1 2 . 1 1 31 31 ALA CA C 66 55.051 55.051 54.736 0.315 17578 729 1 2 . 1 1 31 31 ALA CB C 66 18.901 18.901 17.888 1.013 17578 730 1 2 . 1 1 31 31 ALA H H 66 7.496 7.496 7.911 -0.415 17578 731 1 2 . 1 1 32 32 LEU N N 67 119.357 119.357 119.415 -0.058 17578 732 1 2 . 1 1 32 32 LEU HA H 67 3.854 3.854 3.711 0.143 17578 733 1 2 . 1 1 32 32 LEU CA C 67 57.859 57.859 57.442 0.417 17578 734 1 2 . 1 1 32 32 LEU CB C 67 42.442 42.442 41.794 0.648 17578 735 1 2 . 1 1 32 32 LEU H H 67 8.376 8.376 7.624 0.752 17578 736 1 2 . 1 1 33 33 ARG N N 68 116.045 116.045 115.110 0.935 17578 737 1 2 . 1 1 33 33 ARG HA H 68 3.802 3.802 3.991 -0.189 17578 738 1 2 . 1 1 33 33 ARG CA C 68 59.306 59.306 57.652 1.654 17578 739 1 2 . 1 1 33 33 ARG CB C 68 29.759 29.759 30.159 -0.400 17578 740 1 2 . 1 1 33 33 ARG H H 68 8.091 8.091 7.865 0.226 17578 741 1 2 . 1 1 34 34 LYS N N 69 117.845 117.845 119.102 -1.257 17578 742 1 2 . 1 1 34 34 LYS HA H 69 4.255 4.255 4.149 0.106 17578 743 1 2 . 1 1 34 34 LYS C C 69 176.831 176.831 178.072 -1.241 17578 744 1 2 . 1 1 34 34 LYS CA C 69 56.548 56.548 57.543 -0.995 17578 745 1 2 . 1 1 34 34 LYS CB C 69 32.710 32.710 33.007 -0.297 17578 746 1 2 . 1 1 34 34 LYS H H 69 7.616 7.616 7.779 -0.163 17578 747 1 2 . 1 1 35 35 GLY N N 70 106.783 106.783 106.237 0.546 17578 748 1 2 . 1 1 35 35 GLY CA C 70 45.537 45.537 45.228 0.309 17578 749 1 2 . 1 1 35 35 GLY H H 70 7.739 7.739 8.391 -0.652 17578 750 1 2 . 1 1 36 36 GLU N N 71 119.424 119.424 119.393 0.031 17578 751 1 2 . 1 1 36 36 GLU HA H 71 4.226 4.226 4.131 0.095 17578 752 1 2 . 1 1 36 36 GLU C C 71 175.400 175.400 176.109 -0.709 17578 753 1 2 . 1 1 36 36 GLU CA C 71 57.414 57.414 56.872 0.542 17578 754 1 2 . 1 1 36 36 GLU CB C 71 29.442 29.442 29.017 0.425 17578 755 1 2 . 1 1 36 36 GLU H H 71 7.698 7.698 8.417 -0.719 17578 756 1 2 . 1 1 37 37 LYS N N 72 118.290 118.290 121.987 -3.697 17578 757 1 2 . 1 1 37 37 LYS HA H 72 4.903 4.903 4.117 0.786 17578 758 1 2 . 1 1 37 37 LYS C C 72 175.809 175.809 176.064 -0.255 17578 759 1 2 . 1 1 37 37 LYS CA C 72 53.791 53.791 57.227 -3.436 17578 760 1 2 . 1 1 37 37 LYS CB C 72 34.781 34.781 32.290 2.491 17578 761 1 2 . 1 1 37 37 LYS H H 72 8.223 8.223 7.267 0.956 17578 762 1 2 . 1 1 38 38 GLY N N 73 104.682 104.682 111.908 -7.226 17578 763 1 2 . 1 1 38 38 GLY C C 73 171.884 171.884 173.844 -1.960 17578 764 1 2 . 1 1 38 38 GLY CA C 73 46.360 46.360 44.907 1.454 17578 765 1 2 . 1 1 38 38 GLY H H 73 7.217 7.217 8.268 -1.051 17578 766 1 2 . 1 1 39 39 LEU N N 74 125.372 125.372 121.805 3.567 17578 767 1 2 . 1 1 39 39 LEU HA H 74 4.994 4.994 4.805 0.189 17578 768 1 2 . 1 1 39 39 LEU C C 74 174.380 174.380 176.064 -1.684 17578 769 1 2 . 1 1 39 39 LEU CA C 74 54.363 54.363 53.437 0.926 17578 770 1 2 . 1 1 39 39 LEU CB C 74 47.028 47.028 43.218 3.810 17578 771 1 2 . 1 1 39 39 LEU H H 74 8.945 8.945 8.175 0.770 17578 772 1 2 . 1 1 40 40 VAL N N 75 130.967 130.967 124.439 6.528 17578 773 1 2 . 1 1 40 40 VAL HA H 75 4.644 4.644 4.325 0.319 17578 774 1 2 . 1 1 40 40 VAL C C 75 173.667 173.667 174.562 -0.895 17578 775 1 2 . 1 1 40 40 VAL CA C 75 62.273 62.273 61.349 0.924 17578 776 1 2 . 1 1 40 40 VAL CB C 75 32.591 32.591 32.249 0.342 17578 777 1 2 . 1 1 40 40 VAL H H 75 8.551 8.551 9.037 -0.486 17578 778 1 2 . 1 1 41 41 VAL N N 76 127.493 127.493 127.119 0.374 17578 779 1 2 . 1 1 41 41 VAL HA H 76 4.660 4.660 4.336 0.324 17578 780 1 2 . 1 1 41 41 VAL C C 76 173.669 173.669 174.829 -1.160 17578 781 1 2 . 1 1 41 41 VAL CA C 76 60.899 60.899 61.247 -0.348 17578 782 1 2 . 1 1 41 41 VAL CB C 76 33.346 33.346 32.725 0.621 17578 783 1 2 . 1 1 41 41 VAL H H 76 8.804 8.804 9.067 -0.263 17578 784 1 2 . 1 1 42 42 ILE N N 77 125.646 125.646 126.660 -1.014 17578 785 1 2 . 1 1 42 42 ILE HA H 77 4.444 4.444 4.548 -0.104 17578 786 1 2 . 1 1 42 42 ILE C C 77 174.817 174.817 174.415 0.402 17578 787 1 2 . 1 1 42 42 ILE CA C 77 59.700 59.700 58.111 1.589 17578 788 1 2 . 1 1 42 42 ILE CB C 77 39.977 39.977 40.104 -0.127 17578 789 1 2 . 1 1 42 42 ILE H H 77 8.613 8.613 8.516 0.097 17578 790 1 2 . 1 1 43 43 ALA N N 78 128.691 128.691 128.922 -0.231 17578 791 1 2 . 1 1 43 43 ALA HA H 78 4.459 4.459 5.188 -0.729 17578 792 1 2 . 1 1 43 43 ALA C C 78 177.584 177.584 178.439 -0.855 17578 793 1 2 . 1 1 43 43 ALA CA C 78 52.372 52.372 49.901 2.471 17578 794 1 2 . 1 1 43 43 ALA CB C 78 19.504 19.504 19.662 -0.158 17578 795 1 2 . 1 1 43 43 ALA H H 78 8.565 8.565 7.923 0.642 17578 796 1 2 . 1 1 44 44 GLY N N 79 103.957 103.957 110.580 -6.623 17578 797 1 2 . 1 1 44 44 GLY C C 79 173.252 173.252 175.135 -1.883 17578 798 1 2 . 1 1 44 44 GLY CA C 79 45.764 45.764 46.426 -0.662 17578 799 1 2 . 1 1 44 44 GLY H H 79 9.083 9.083 8.678 0.405 17578 800 1 2 . 1 1 45 45 ASP N N 80 118.632 118.632 120.547 -1.915 17578 801 1 2 . 1 1 45 45 ASP HA H 80 4.918 4.918 5.086 -0.168 17578 802 1 2 . 1 1 45 45 ASP CA C 80 52.689 52.689 53.050 -0.361 17578 803 1 2 . 1 1 45 45 ASP CB C 80 39.118 39.118 40.089 -0.971 17578 804 1 2 . 1 1 45 45 ASP H H 80 8.695 8.695 8.388 0.307 17578 805 1 2 . 1 1 46 46 ILE N N 81 117.935 117.935 118.480 -0.545 17578 806 1 2 . 1 1 46 46 ILE HA H 81 4.179 4.179 4.511 -0.332 17578 807 1 2 . 1 1 46 46 ILE C C 81 172.890 172.890 174.313 -1.423 17578 808 1 2 . 1 1 46 46 ILE CA C 81 59.242 59.242 59.679 -0.437 17578 809 1 2 . 1 1 46 46 ILE CB C 81 39.253 39.253 41.094 -1.841 17578 810 1 2 . 1 1 46 46 ILE H H 81 6.730 6.730 7.136 -0.406 17578 811 1 2 . 1 1 47 47 TRP N N 82 123.585 123.585 124.636 -1.051 17578 812 1 2 . 1 1 47 47 TRP HA H 82 4.587 4.587 5.101 -0.514 17578 813 1 2 . 1 1 47 47 TRP CA C 82 55.386 55.386 55.277 0.109 17578 814 1 2 . 1 1 47 47 TRP CB C 82 32.147 32.147 31.255 0.892 17578 815 1 2 . 1 1 47 47 TRP H H 82 7.804 7.804 8.651 -0.847 17578 816 1 2 . 1 1 48 48 PRO HA H 83 4.248 4.248 4.883 -0.635 17578 817 1 2 . 1 1 48 48 PRO CA C 83 62.712 62.712 62.695 0.017 17578 818 1 2 . 1 1 48 48 PRO CB C 83 34.011 34.011 32.575 1.436 17578 819 1 2 . 1 1 49 49 ALA N N 84 121.827 121.827 119.993 1.834 17578 820 1 2 . 1 1 49 49 ALA HA H 84 3.969 3.969 3.928 0.041 17578 821 1 2 . 1 1 49 49 ALA CA C 84 54.183 54.183 52.619 1.564 17578 822 1 2 . 1 1 49 49 ALA CB C 84 19.404 19.404 18.338 1.066 17578 823 1 2 . 1 1 49 49 ALA H H 84 8.198 8.198 8.459 -0.261 17578 824 1 2 . 1 1 50 50 ASP N N 85 114.049 114.049 119.915 -5.866 17578 825 1 2 . 1 1 50 50 ASP HA H 85 4.301 4.301 4.360 -0.059 17578 826 1 2 . 1 1 50 50 ASP C C 85 177.428 177.428 177.704 -0.276 17578 827 1 2 . 1 1 50 50 ASP CA C 85 55.777 55.777 56.798 -1.021 17578 828 1 2 . 1 1 50 50 ASP CB C 85 40.060 40.060 40.447 -0.387 17578 829 1 2 . 1 1 50 50 ASP H H 85 8.008 8.008 8.641 -0.633 17578 830 1 2 . 1 1 51 51 VAL N N 86 116.790 116.790 119.904 -3.114 17578 831 1 2 . 1 1 51 51 VAL HA H 86 3.841 3.841 3.615 0.226 17578 832 1 2 . 1 1 51 51 VAL C C 86 176.231 176.231 177.131 -0.900 17578 833 1 2 . 1 1 51 51 VAL CA C 86 65.332 65.332 65.071 0.261 17578 834 1 2 . 1 1 51 51 VAL CB C 86 32.123 32.123 31.572 0.551 17578 835 1 2 . 1 1 51 51 VAL H H 86 7.542 7.542 7.412 0.130 17578 836 1 2 . 1 1 52 52 ILE N N 87 107.529 107.529 119.025 -11.496 17578 837 1 2 . 1 1 52 52 ILE HA H 87 4.638 4.638 3.699 0.939 17578 838 1 2 . 1 1 52 52 ILE C C 87 178.026 178.026 177.061 0.965 17578 839 1 2 . 1 1 52 52 ILE CA C 87 59.806 59.806 64.934 -5.128 17578 840 1 2 . 1 1 52 52 ILE CB C 87 40.742 40.742 37.661 3.081 17578 841 1 2 . 1 1 52 52 ILE H H 87 7.310 7.310 8.357 -1.047 17578 842 1 2 . 1 1 53 53 SER N N 88 116.004 116.004 113.755 2.249 17578 843 1 2 . 1 1 53 53 SER HA H 88 4.566 4.566 4.324 0.242 17578 844 1 2 . 1 1 53 53 SER CA C 88 61.760 61.760 60.664 1.096 17578 845 1 2 . 1 1 53 53 SER CB C 88 62.391 62.391 64.045 -1.654 17578 846 1 2 . 1 1 53 53 SER H H 88 7.827 7.827 7.873 -0.046 17578 847 1 2 . 1 1 54 54 HIS HA H 89 4.572 4.572 4.446 0.126 17578 848 1 2 . 1 1 54 54 HIS CA C 89 56.789 56.789 59.353 -2.564 17578 849 1 2 . 1 1 54 54 HIS CB C 89 30.527 30.527 30.224 0.303 17578 850 1 2 . 1 1 55 55 ILE N N 90 120.579 120.579 120.793 -0.214 17578 851 1 2 . 1 1 55 55 ILE HA H 90 3.512 3.512 3.539 -0.027 17578 852 1 2 . 1 1 55 55 ILE CA C 90 65.424 65.424 67.060 -1.636 17578 853 1 2 . 1 1 55 55 ILE CB C 90 34.176 34.176 35.812 -1.636 17578 854 1 2 . 1 1 55 55 ILE H H 90 7.764 7.764 8.280 -0.516 17578 855 1 2 . 1 1 56 56 PRO HA H 91 2.942 2.942 4.203 -1.261 17578 856 1 2 . 1 1 56 56 PRO C C 91 177.032 177.032 178.553 -1.521 17578 857 1 2 . 1 1 56 56 PRO CA C 91 66.842 66.842 66.225 0.617 17578 858 1 2 . 1 1 56 56 PRO CB C 91 31.206 31.206 31.122 0.084 17578 859 1 2 . 1 1 57 57 VAL N N 92 114.379 114.379 118.396 -4.017 17578 860 1 2 . 1 1 57 57 VAL HA H 92 3.574 3.574 3.612 -0.038 17578 861 1 2 . 1 1 57 57 VAL CA C 92 65.900 65.900 66.092 -0.192 17578 862 1 2 . 1 1 57 57 VAL CB C 92 31.600 31.600 31.829 -0.229 17578 863 1 2 . 1 1 57 57 VAL H H 92 6.497 6.497 7.586 -1.089 17578 864 1 2 . 1 1 58 58 LEU N N 93 120.522 120.522 117.955 2.567 17578 865 1 2 . 1 1 58 58 LEU HA H 93 4.227 4.227 4.090 0.137 17578 866 1 2 . 1 1 58 58 LEU C C 93 180.251 180.251 178.106 2.145 17578 867 1 2 . 1 1 58 58 LEU CA C 93 57.838 57.838 57.862 -0.024 17578 868 1 2 . 1 1 58 58 LEU CB C 93 43.172 43.172 40.795 2.377 17578 869 1 2 . 1 1 58 58 LEU H H 93 7.460 7.460 7.588 -0.128 17578 870 1 2 . 1 1 59 59 CYS N N 94 117.195 117.195 120.213 -3.018 17578 871 1 2 . 1 1 59 59 CYS HA H 94 3.867 3.867 4.258 -0.391 17578 872 1 2 . 1 1 59 59 CYS C C 94 176.362 176.362 177.155 -0.793 17578 873 1 2 . 1 1 59 59 CYS CA C 94 65.379 65.379 63.241 2.138 17578 874 1 2 . 1 1 59 59 CYS CB C 94 26.344 26.344 26.786 -0.442 17578 875 1 2 . 1 1 59 59 CYS H H 94 8.335 8.335 7.988 0.347 17578 876 1 2 . 1 1 60 60 GLU N N 95 120.777 120.777 119.253 1.524 17578 877 1 2 . 1 1 60 60 GLU HA H 95 4.209 4.209 4.163 0.046 17578 878 1 2 . 1 1 60 60 GLU CA C 95 59.760 59.760 58.665 1.095 17578 879 1 2 . 1 1 60 60 GLU CB C 95 29.201 29.201 29.633 -0.432 17578 880 1 2 . 1 1 60 60 GLU H H 95 8.235 8.235 8.288 -0.053 17578 881 1 2 . 1 1 61 61 ASP N N 96 120.910 120.910 117.863 3.047 17578 882 1 2 . 1 1 61 61 ASP HA H 96 4.292 4.292 4.481 -0.189 17578 883 1 2 . 1 1 61 61 ASP C C 96 177.890 177.890 177.371 0.519 17578 884 1 2 . 1 1 61 61 ASP CA C 96 57.235 57.235 56.191 1.044 17578 885 1 2 . 1 1 61 61 ASP CB C 96 40.580 40.580 41.423 -0.843 17578 886 1 2 . 1 1 61 61 ASP H H 96 8.509 8.509 7.668 0.841 17578 887 1 2 . 1 1 62 62 HIS N N 97 115.923 115.923 116.764 -0.841 17578 888 1 2 . 1 1 62 62 HIS HA H 97 4.495 4.495 4.699 -0.204 17578 889 1 2 . 1 1 62 62 HIS C C 97 173.548 173.548 173.958 -0.410 17578 890 1 2 . 1 1 62 62 HIS CA C 97 57.290 57.290 56.139 1.151 17578 891 1 2 . 1 1 62 62 HIS CB C 97 29.997 29.997 32.371 -2.374 17578 892 1 2 . 1 1 62 62 HIS H H 97 7.635 7.635 8.034 -0.399 17578 893 1 2 . 1 1 63 63 SER N N 98 114.634 114.634 115.812 -1.178 17578 894 1 2 . 1 1 63 63 SER HA H 98 4.489 4.489 4.127 0.362 17578 895 1 2 . 1 1 63 63 SER C C 98 173.949 173.949 172.257 1.692 17578 896 1 2 . 1 1 63 63 SER CA C 98 58.842 58.842 58.709 0.133 17578 897 1 2 . 1 1 63 63 SER CB C 98 61.396 61.396 62.735 -1.339 17578 898 1 2 . 1 1 63 63 SER H H 98 7.888 7.888 8.310 -0.422 17578 899 1 2 . 1 1 64 64 VAL N N 99 123.090 123.090 124.052 -0.962 17578 900 1 2 . 1 1 64 64 VAL HA H 99 4.721 4.721 4.345 0.376 17578 901 1 2 . 1 1 64 64 VAL CA C 99 58.978 58.978 58.710 0.268 17578 902 1 2 . 1 1 64 64 VAL CB C 99 35.228 35.228 34.865 0.363 17578 903 1 2 . 1 1 64 64 VAL H H 99 8.590 8.590 7.572 1.018 17578 904 1 2 . 1 1 65 65 PRO HA H 100 4.263 4.263 4.291 -0.028 17578 905 1 2 . 1 1 65 65 PRO C C 100 173.191 173.191 175.458 -2.267 17578 906 1 2 . 1 1 65 65 PRO CA C 100 63.427 63.427 62.489 0.938 17578 907 1 2 . 1 1 65 65 PRO CB C 100 31.863 31.863 31.460 0.403 17578 908 1 2 . 1 1 66 66 TYR N N 101 114.702 114.702 122.175 -7.473 17578 909 1 2 . 1 1 66 66 TYR HA H 101 5.925 5.925 5.512 0.413 17578 910 1 2 . 1 1 66 66 TYR CA C 101 53.501 53.501 56.169 -2.668 17578 911 1 2 . 1 1 66 66 TYR CB C 101 41.793 41.793 41.582 0.211 17578 912 1 2 . 1 1 66 66 TYR H H 101 6.243 6.243 7.659 -1.416 17578 913 1 2 . 1 1 67 67 ILE N N 102 111.885 111.885 116.925 -5.040 17578 914 1 2 . 1 1 67 67 ILE HA H 102 4.502 4.502 4.471 0.031 17578 915 1 2 . 1 1 67 67 ILE C C 102 172.358 172.358 174.241 -1.883 17578 916 1 2 . 1 1 67 67 ILE CA C 102 55.442 55.442 60.453 -5.011 17578 917 1 2 . 1 1 67 67 ILE CB C 102 43.124 43.124 42.582 0.542 17578 918 1 2 . 1 1 67 67 ILE H H 102 7.986 7.986 8.734 -0.748 17578 919 1 2 . 1 1 68 68 PHE N N 103 122.274 122.274 128.460 -6.186 17578 920 1 2 . 1 1 68 68 PHE HA H 103 5.087 5.087 4.829 0.258 17578 921 1 2 . 1 1 68 68 PHE C C 103 176.173 176.173 174.452 1.721 17578 922 1 2 . 1 1 68 68 PHE CA C 103 56.103 56.103 57.424 -1.321 17578 923 1 2 . 1 1 68 68 PHE CB C 103 39.891 39.891 40.016 -0.125 17578 924 1 2 . 1 1 68 68 PHE H H 103 8.108 8.108 8.650 -0.542 17578 925 1 2 . 1 1 69 69 ILE N N 104 114.613 114.613 122.343 -7.730 17578 926 1 2 . 1 1 69 69 ILE HA H 104 4.927 4.927 4.712 0.215 17578 927 1 2 . 1 1 69 69 ILE CA C 104 57.831 57.831 57.244 0.587 17578 928 1 2 . 1 1 69 69 ILE CB C 104 38.302 38.302 38.658 -0.356 17578 929 1 2 . 1 1 69 69 ILE H H 104 8.843 8.843 8.277 0.566 17578 930 1 2 . 1 1 70 70 PRO HA H 105 4.093 4.093 4.478 -0.385 17578 931 1 2 . 1 1 70 70 PRO CA C 105 66.439 66.439 63.221 3.218 17578 932 1 2 . 1 1 70 70 PRO CB C 105 32.879 32.879 32.319 0.560 17578 933 1 2 . 1 1 71 71 SER N N 106 106.896 106.896 111.625 -4.729 17578 934 1 2 . 1 1 71 71 SER HA H 106 5.227 5.227 4.478 0.749 17578 935 1 2 . 1 1 71 71 SER CA C 106 55.373 55.373 58.941 -3.568 17578 936 1 2 . 1 1 71 71 SER CB C 106 64.696 64.696 64.569 0.128 17578 937 1 2 . 1 1 71 71 SER H H 106 7.548 7.548 8.372 -0.824 17578 938 1 2 . 1 1 72 72 LYS N N 107 119.881 119.881 122.271 -2.390 17578 939 1 2 . 1 1 72 72 LYS HA H 107 4.191 4.191 3.882 0.309 17578 940 1 2 . 1 1 72 72 LYS CA C 107 58.623 58.623 59.785 -1.162 17578 941 1 2 . 1 1 72 72 LYS CB C 107 30.957 30.957 32.078 -1.121 17578 942 1 2 . 1 1 72 72 LYS H H 107 8.328 8.328 8.750 -0.422 17578 943 1 2 . 1 1 73 73 GLN N N 108 123.720 123.720 117.909 5.811 17578 944 1 2 . 1 1 73 73 GLN HA H 108 4.013 4.013 4.151 -0.138 17578 945 1 2 . 1 1 73 73 GLN CA C 108 58.621 58.621 58.970 -0.349 17578 946 1 2 . 1 1 73 73 GLN CB C 108 28.331 28.331 28.139 0.192 17578 947 1 2 . 1 1 73 73 GLN H H 108 8.543 8.543 8.377 0.166 17578 948 1 2 . 1 1 74 74 ASP N N 109 121.068 121.068 119.753 1.315 17578 949 1 2 . 1 1 74 74 ASP HA H 109 4.353 4.353 4.313 0.040 17578 950 1 2 . 1 1 74 74 ASP CA C 109 56.941 56.941 57.562 -0.621 17578 951 1 2 . 1 1 74 74 ASP CB C 109 40.403 40.403 40.484 -0.081 17578 952 1 2 . 1 1 74 74 ASP H H 109 7.998 7.998 8.544 -0.546 17578 953 1 2 . 1 1 75 75 LEU N N 110 120.670 120.670 119.479 1.191 17578 954 1 2 . 1 1 75 75 LEU HA H 110 3.967 3.967 4.139 -0.172 17578 955 1 2 . 1 1 75 75 LEU C C 110 178.753 178.753 179.238 -0.485 17578 956 1 2 . 1 1 75 75 LEU CA C 110 57.080 57.080 57.431 -0.351 17578 957 1 2 . 1 1 75 75 LEU CB C 110 41.235 41.235 41.817 -0.582 17578 958 1 2 . 1 1 75 75 LEU H H 110 7.999 7.999 7.760 0.239 17578 959 1 2 . 1 1 76 76 GLY N N 111 105.512 105.512 107.016 -1.504 17578 960 1 2 . 1 1 76 76 GLY C C 111 175.517 175.517 176.049 -0.532 17578 961 1 2 . 1 1 76 76 GLY CA C 111 46.745 46.745 47.356 -0.611 17578 962 1 2 . 1 1 76 76 GLY H H 111 8.012 8.012 7.931 0.081 17578 963 1 2 . 1 1 77 77 ALA N N 112 122.891 122.891 124.849 -1.958 17578 964 1 2 . 1 1 77 77 ALA HA H 112 4.180 4.180 4.148 0.032 17578 965 1 2 . 1 1 77 77 ALA CA C 112 53.652 53.652 54.560 -0.908 17578 966 1 2 . 1 1 77 77 ALA CB C 112 18.482 18.482 18.484 -0.002 17578 967 1 2 . 1 1 77 77 ALA H H 112 7.785 7.785 8.235 -0.450 17578 968 1 2 . 1 1 78 78 ALA N N 113 121.205 121.205 119.401 1.804 17578 969 1 2 . 1 1 78 78 ALA HA H 113 4.213 4.213 4.041 0.172 17578 970 1 2 . 1 1 78 78 ALA CA C 113 53.503 53.503 53.436 0.067 17578 971 1 2 . 1 1 78 78 ALA CB C 113 18.897 18.897 19.555 -0.658 17578 972 1 2 . 1 1 78 78 ALA H H 113 7.787 7.787 7.767 0.020 17578 973 1 2 . 1 1 79 79 GLY N N 114 104.082 104.082 101.851 2.231 17578 974 1 2 . 1 1 79 79 GLY CA C 114 44.764 44.764 44.890 -0.126 17578 975 1 2 . 1 1 79 79 GLY H H 114 7.756 7.756 7.853 -0.097 17578 976 1 2 . 1 1 80 80 ALA HA H 115 4.061 4.061 4.702 -0.641 17578 977 1 2 . 1 1 80 80 ALA CA C 115 53.192 53.192 52.224 0.969 17578 978 1 2 . 1 1 80 80 ALA CB C 115 19.493 19.493 20.478 -0.985 17578 979 1 2 . 1 1 81 81 THR N N 116 116.258 116.258 114.220 2.038 17578 980 1 2 . 1 1 81 81 THR CA C 116 57.223 57.223 61.439 -4.216 17578 981 1 2 . 1 1 81 81 THR CB C 116 64.784 64.784 67.670 -2.886 17578 982 1 2 . 1 1 81 81 THR H H 116 8.121 8.121 7.824 0.297 17578 983 1 2 . 1 1 83 83 ARG N N 118 122.269 122.269 118.689 3.580 17578 984 1 2 . 1 1 83 83 ARG H H 118 8.128 8.128 7.713 0.415 17578 985 1 2 . 1 1 85 85 THR N N 120 120.171 120.171 116.295 3.876 17578 986 1 2 . 1 1 85 85 THR C C 120 172.729 172.729 174.030 -1.301 17578 987 1 2 . 1 1 85 85 THR H H 120 8.127 8.127 8.054 0.073 17578 988 1 2 . 1 1 86 86 SER N N 121 115.808 115.808 114.847 0.961 17578 989 1 2 . 1 1 86 86 SER HA H 121 4.280 4.280 4.581 -0.301 17578 990 1 2 . 1 1 86 86 SER CA C 121 59.573 59.573 58.940 0.634 17578 991 1 2 . 1 1 86 86 SER CB C 121 64.384 64.384 64.269 0.116 17578 992 1 2 . 1 1 86 86 SER H H 121 7.045 7.045 8.330 -1.285 17578 993 1 2 . 1 1 87 87 VAL N N 122 115.790 115.790 118.249 -2.459 17578 994 1 2 . 1 1 87 87 VAL HA H 122 5.203 5.203 4.604 0.599 17578 995 1 2 . 1 1 87 87 VAL CA C 122 59.412 59.412 61.329 -1.917 17578 996 1 2 . 1 1 87 87 VAL CB C 122 32.729 32.729 32.959 -0.230 17578 997 1 2 . 1 1 87 87 VAL H H 122 7.082 7.082 7.631 -0.549 17578 998 1 2 . 1 1 88 88 VAL N N 123 119.313 119.313 120.927 -1.614 17578 999 1 2 . 1 1 88 88 VAL HA H 123 5.097 5.097 5.146 -0.049 17578 1000 1 2 . 1 1 88 88 VAL C C 123 172.990 172.990 173.923 -0.933 17578 1001 1 2 . 1 1 88 88 VAL CA C 123 58.925 58.925 59.373 -0.448 17578 1002 1 2 . 1 1 88 88 VAL CB C 123 35.929 35.929 34.775 1.154 17578 1003 1 2 . 1 1 88 88 VAL H H 123 8.948 8.948 8.494 0.454 17578 1004 1 2 . 1 1 89 89 PHE N N 124 122.616 122.616 125.131 -2.515 17578 1005 1 2 . 1 1 89 89 PHE HA H 124 5.641 5.641 5.443 0.198 17578 1006 1 2 . 1 1 89 89 PHE C C 124 174.686 174.686 173.374 1.312 17578 1007 1 2 . 1 1 89 89 PHE CA C 124 52.579 52.579 54.807 -2.228 17578 1008 1 2 . 1 1 89 89 PHE CB C 124 42.392 42.392 42.464 -0.072 17578 1009 1 2 . 1 1 89 89 PHE H H 124 9.065 9.065 8.908 0.157 17578 1010 1 2 . 1 1 90 90 ILE N N 125 127.599 127.599 123.008 4.591 17578 1011 1 2 . 1 1 90 90 ILE HA H 125 4.268 4.268 3.957 0.311 17578 1012 1 2 . 1 1 90 90 ILE C C 125 173.652 173.652 175.068 -1.416 17578 1013 1 2 . 1 1 90 90 ILE CA C 125 61.605 61.605 60.217 1.388 17578 1014 1 2 . 1 1 90 90 ILE CB C 125 39.533 39.533 38.422 1.111 17578 1015 1 2 . 1 1 90 90 ILE H H 125 9.498 9.498 8.926 0.572 17578 1016 1 2 . 1 1 91 91 VAL N N 126 126.693 126.693 125.165 1.528 17578 1017 1 2 . 1 1 91 91 VAL HA H 126 4.595 4.595 4.675 -0.080 17578 1018 1 2 . 1 1 91 91 VAL CA C 126 58.380 58.380 58.755 -0.375 17578 1019 1 2 . 1 1 91 91 VAL CB C 126 32.597 32.597 32.251 0.346 17578 1020 1 2 . 1 1 91 91 VAL H H 126 8.169 8.169 8.695 -0.526 17578 1021 1 2 . 1 1 92 92 PRO HA H 127 4.044 4.044 4.467 -0.423 17578 1022 1 2 . 1 1 92 92 PRO CA C 127 63.380 63.380 62.695 0.685 17578 1023 1 2 . 1 1 92 92 PRO CB C 127 31.735 31.735 29.923 1.812 17578 1024 1 2 . 1 1 93 93 GLY N N 128 108.589 108.589 112.652 -4.063 17578 1025 1 2 . 1 1 93 93 GLY CA C 128 45.443 45.443 45.880 -0.437 17578 1026 1 2 . 1 1 93 93 GLY H H 128 8.022 8.022 8.708 -0.686 17578 1027 1 2 . 1 1 94 94 SER N N 129 113.115 113.115 119.062 -5.947 17578 1028 1 2 . 1 1 94 94 SER H H 129 7.992 7.992 8.071 -0.079 17578 1029 1 2 . 1 1 95 95 ASN N N 130 120.738 120.738 120.948 -0.210 17578 1030 1 2 . 1 1 95 95 ASN C C 130 178.419 178.419 176.860 1.559 17578 1031 1 2 . 1 1 95 95 ASN CA C 130 57.337 57.337 56.116 1.221 17578 1032 1 2 . 1 1 95 95 ASN CB C 130 41.958 41.958 38.464 3.494 17578 1033 1 2 . 1 1 95 95 ASN H H 130 8.313 8.313 8.998 -0.685 17578 1034 1 2 . 1 1 96 96 LYS N N 131 119.159 119.159 117.087 2.072 17578 1035 1 2 . 1 1 96 96 LYS HA H 131 4.021 4.021 4.149 -0.128 17578 1036 1 2 . 1 1 96 96 LYS CA C 131 58.749 58.749 58.023 0.726 17578 1037 1 2 . 1 1 96 96 LYS CB C 131 29.565 29.565 32.189 -2.624 17578 1038 1 2 . 1 1 96 96 LYS H H 131 7.881 7.881 8.341 -0.460 17578 1039 1 2 . 1 1 97 97 LYS N N 132 117.399 117.399 120.417 -3.018 17578 1040 1 2 . 1 1 97 97 LYS CA C 132 58.413 58.413 58.301 0.112 17578 1041 1 2 . 1 1 97 97 LYS CB C 132 30.694 30.694 32.250 -1.556 17578 1042 1 2 . 1 1 97 97 LYS H H 132 7.765 7.765 7.955 -0.190 17578 1043 1 2 . 1 1 98 98 LYS N N 133 119.160 119.160 117.762 1.398 17578 1044 1 2 . 1 1 98 98 LYS CA C 133 58.266 58.266 58.470 -0.204 17578 1045 1 2 . 1 1 98 98 LYS CB C 133 30.981 30.981 32.127 -1.146 17578 1046 1 2 . 1 1 98 98 LYS H H 133 8.070 8.070 7.587 0.483 17578 1047 1 2 . 1 1 99 99 ASP N N 134 120.602 120.602 117.478 3.124 17578 1048 1 2 . 1 1 99 99 ASP CA C 134 55.586 55.586 54.463 1.123 17578 1049 1 2 . 1 1 99 99 ASP CB C 134 41.898 41.898 40.813 1.085 17578 1050 1 2 . 1 1 99 99 ASP H H 134 8.255 8.255 7.738 0.517 17578 1051 1 2 . 1 1 100 100 GLY N N 135 108.785 108.785 108.564 0.221 17578 1052 1 2 . 1 1 100 100 GLY CA C 135 45.536 45.536 45.263 0.273 17578 1053 1 2 . 1 1 100 100 GLY H H 135 8.451 8.451 7.960 0.491 17578 1054 1 2 . 1 1 101 101 LYS N N 136 120.171 120.171 119.726 0.445 17578 1055 1 2 . 1 1 101 101 LYS H H 136 8.127 8.127 8.297 -0.170 17578 1056 1 2 . 1 1 102 102 ASN N N 137 118.588 118.588 123.450 -4.862 17578 1057 1 2 . 1 1 102 102 ASN H H 137 8.481 8.481 8.586 -0.105 17578 1058 1 2 . 1 1 103 103 LYS N N 138 121.739 121.739 119.390 2.349 17578 1059 1 2 . 1 1 103 103 LYS HA H 138 4.241 4.241 4.433 -0.192 17578 1060 1 2 . 1 1 103 103 LYS CA C 138 56.760 56.760 57.003 -0.243 17578 1061 1 2 . 1 1 103 103 LYS CB C 138 32.691 32.691 32.541 0.150 17578 1062 1 2 . 1 1 103 103 LYS H H 138 8.318 8.318 8.141 0.177 17578 1063 1 2 . 1 1 104 104 GLU N N 139 120.980 120.980 120.436 0.544 17578 1064 1 2 . 1 1 104 104 GLU CA C 139 57.235 57.235 58.849 -1.614 17578 1065 1 2 . 1 1 104 104 GLU CB C 139 29.893 29.893 28.741 1.152 17578 1066 1 2 . 1 1 104 104 GLU H H 139 8.478 8.478 8.720 -0.242 17578 1067 1 2 . 1 1 107 107 TYR N N 142 119.214 119.214 119.338 -0.124 17578 1068 1 2 . 1 1 107 107 TYR HA H 142 5.023 5.023 4.012 1.011 17578 1069 1 2 . 1 1 107 107 TYR C C 142 175.419 175.419 178.227 -2.808 17578 1070 1 2 . 1 1 107 107 TYR CA C 142 57.200 57.200 60.964 -3.764 17578 1071 1 2 . 1 1 107 107 TYR CB C 142 39.165 39.165 37.855 1.310 17578 1072 1 2 . 1 1 107 107 TYR H H 142 7.992 7.992 8.647 -0.655 17578 1073 1 2 . 1 1 108 108 LYS N N 143 123.500 123.500 118.842 4.658 17578 1074 1 2 . 1 1 108 108 LYS HA H 143 3.628 3.628 3.967 -0.339 17578 1075 1 2 . 1 1 108 108 LYS CA C 143 59.619 59.619 59.001 0.618 17578 1076 1 2 . 1 1 108 108 LYS CB C 143 31.869 31.869 31.922 -0.053 17578 1077 1 2 . 1 1 108 108 LYS H H 143 7.377 7.377 7.975 -0.598 17578 1078 1 2 . 1 1 109 109 GLU N N 144 118.669 118.669 119.231 -0.562 17578 1079 1 2 . 1 1 109 109 GLU HA H 144 4.735 4.735 4.033 0.702 17578 1080 1 2 . 1 1 109 109 GLU CA C 144 59.865 59.865 59.404 0.461 17578 1081 1 2 . 1 1 109 109 GLU CB C 144 29.004 29.004 29.068 -0.064 17578 1082 1 2 . 1 1 109 109 GLU H H 144 8.583 8.583 8.132 0.451 17578 1083 1 2 . 1 1 110 110 SER N N 145 116.081 116.081 116.105 -0.024 17578 1084 1 2 . 1 1 110 110 SER HA H 145 4.448 4.448 4.240 0.208 17578 1085 1 2 . 1 1 110 110 SER CB C 145 64.178 64.178 63.050 1.128 17578 1086 1 2 . 1 1 110 110 SER H H 145 8.117 8.117 8.023 0.094 17578 1087 1 2 . 1 1 111 111 PHE N N 146 122.134 122.134 122.876 -0.742 17578 1088 1 2 . 1 1 111 111 PHE HA H 146 4.022 4.022 4.220 -0.198 17578 1089 1 2 . 1 1 111 111 PHE C C 146 175.751 175.751 177.713 -1.962 17578 1090 1 2 . 1 1 111 111 PHE CA C 146 62.159 62.159 59.000 3.159 17578 1091 1 2 . 1 1 111 111 PHE CB C 146 39.533 39.533 38.048 1.485 17578 1092 1 2 . 1 1 111 111 PHE H H 146 8.553 8.553 8.179 0.374 17578 1093 1 2 . 1 1 112 112 ASN N N 147 117.856 117.856 117.621 0.235 17578 1094 1 2 . 1 1 112 112 ASN HA H 147 4.269 4.269 4.326 -0.057 17578 1095 1 2 . 1 1 112 112 ASN CA C 147 55.881 55.881 56.983 -1.102 17578 1096 1 2 . 1 1 112 112 ASN CB C 147 37.663 37.663 38.596 -0.934 17578 1097 1 2 . 1 1 112 112 ASN H H 147 8.809 8.809 8.745 0.064 17578 1098 1 2 . 1 1 113 113 GLU N N 148 119.708 119.708 119.836 -0.128 17578 1099 1 2 . 1 1 113 113 GLU HA H 148 4.021 4.021 4.042 -0.021 17578 1100 1 2 . 1 1 113 113 GLU CA C 148 59.385 59.385 59.558 -0.173 17578 1101 1 2 . 1 1 113 113 GLU CB C 148 29.784 29.784 29.495 0.289 17578 1102 1 2 . 1 1 113 113 GLU H H 148 7.778 7.778 7.936 -0.158 17578 1103 1 2 . 1 1 114 114 VAL N N 149 119.680 119.680 119.770 -0.090 17578 1104 1 2 . 1 1 114 114 VAL HA H 149 3.556 3.556 3.778 -0.222 17578 1105 1 2 . 1 1 114 114 VAL CA C 149 66.625 66.625 65.996 0.629 17578 1106 1 2 . 1 1 114 114 VAL CB C 149 31.368 31.368 31.234 0.134 17578 1107 1 2 . 1 1 114 114 VAL H H 149 8.023 8.023 8.214 -0.191 17578 1108 1 2 . 1 1 115 115 VAL N N 150 119.684 119.684 116.303 3.381 17578 1109 1 2 . 1 1 115 115 VAL HA H 150 3.163 3.163 3.644 -0.481 17578 1110 1 2 . 1 1 115 115 VAL C C 150 177.270 177.270 178.297 -1.027 17578 1111 1 2 . 1 1 115 115 VAL CA C 150 67.984 67.984 66.063 1.921 17578 1112 1 2 . 1 1 115 115 VAL CB C 150 30.848 30.848 31.029 -0.181 17578 1113 1 2 . 1 1 115 115 VAL H H 150 8.480 8.480 8.581 -0.101 17578 1114 1 2 . 1 1 116 116 LYS N N 151 118.648 118.648 120.579 -1.931 17578 1115 1 2 . 1 1 116 116 LYS HA H 151 4.027 4.027 4.114 -0.087 17578 1116 1 2 . 1 1 116 116 LYS CA C 151 59.691 59.691 58.944 0.747 17578 1117 1 2 . 1 1 116 116 LYS CB C 151 32.346 32.346 31.788 0.558 17578 1118 1 2 . 1 1 116 116 LYS H H 151 7.584 7.584 8.024 -0.441 17578 1119 1 2 . 1 1 117 117 GLU N N 152 120.177 120.177 120.010 0.167 17578 1120 1 2 . 1 1 117 117 GLU HA H 152 4.046 4.046 4.026 0.020 17578 1121 1 2 . 1 1 117 117 GLU CA C 152 59.932 59.932 59.693 0.239 17578 1122 1 2 . 1 1 117 117 GLU CB C 152 29.663 29.663 29.647 0.016 17578 1123 1 2 . 1 1 117 117 GLU H H 152 7.528 7.528 7.950 -0.422 17578 1124 1 2 . 1 1 118 118 VAL N N 153 120.413 120.413 119.100 1.313 17578 1125 1 2 . 1 1 118 118 VAL HA H 153 3.421 3.421 3.819 -0.398 17578 1126 1 2 . 1 1 118 118 VAL CA C 153 67.196 67.196 65.667 1.529 17578 1127 1 2 . 1 1 118 118 VAL CB C 153 31.600 31.600 32.137 -0.537 17578 1128 1 2 . 1 1 118 118 VAL H H 153 8.665 8.665 8.245 0.420 17578 1129 1 2 . 1 1 119 119 GLN N N 154 118.232 118.232 119.387 -1.155 17578 1130 1 2 . 1 1 119 119 GLN HA H 154 3.982 3.982 4.049 -0.067 17578 1131 1 2 . 1 1 119 119 GLN CA C 154 59.651 59.651 58.405 1.246 17578 1132 1 2 . 1 1 119 119 GLN CB C 154 28.478 28.478 28.828 -0.350 17578 1133 1 2 . 1 1 119 119 GLN H H 154 8.950 8.950 7.892 1.058 17578 1134 1 2 . 1 1 120 120 ALA N N 155 120.568 120.568 121.473 -0.905 17578 1135 1 2 . 1 1 120 120 ALA HA H 155 4.223 4.223 4.264 -0.041 17578 1136 1 2 . 1 1 120 120 ALA CA C 155 55.071 55.071 53.022 2.050 17578 1137 1 2 . 1 1 120 120 ALA CB C 155 17.952 17.952 19.422 -1.470 17578 1138 1 2 . 1 1 120 120 ALA H H 155 7.486 7.486 7.903 -0.417 17578 1139 1 3 . 1 1 2 2 LYS N N 37 124.035 124.035 123.690 0.345 17578 1140 1 3 . 1 1 2 2 LYS HA H 37 4.064 4.064 4.215 -0.151 17578 1141 1 3 . 1 1 2 2 LYS H H 37 7.786 7.786 8.419 -0.633 17578 1142 1 3 . 1 1 3 3 LYS HA H 38 4.026 4.026 4.285 -0.259 17578 1143 1 3 . 1 1 3 3 LYS C C 38 179.176 179.176 178.270 0.906 17578 1144 1 3 . 1 1 3 3 LYS CA C 38 59.781 59.781 58.729 1.052 17578 1145 1 3 . 1 1 3 3 LYS CB C 38 32.626 32.626 32.103 0.522 17578 1146 1 3 . 1 1 4 4 LEU N N 39 122.003 122.003 121.110 0.893 17578 1147 1 3 . 1 1 4 4 LEU HA H 39 4.159 4.159 3.985 0.174 17578 1148 1 3 . 1 1 4 4 LEU C C 39 178.232 178.232 178.661 -0.429 17578 1149 1 3 . 1 1 4 4 LEU CA C 39 57.470 57.470 58.282 -0.812 17578 1150 1 3 . 1 1 4 4 LEU CB C 39 40.343 40.343 41.256 -0.913 17578 1151 1 3 . 1 1 4 4 LEU H H 39 7.877 7.877 8.168 -0.291 17578 1152 1 3 . 1 1 5 5 ASN N N 40 118.692 118.692 116.278 2.414 17578 1153 1 3 . 1 1 5 5 ASN HA H 40 3.997 3.997 4.266 -0.269 17578 1154 1 3 . 1 1 5 5 ASN C C 40 176.054 176.054 177.355 -1.301 17578 1155 1 3 . 1 1 5 5 ASN CA C 40 57.622 57.622 56.805 0.817 17578 1156 1 3 . 1 1 5 5 ASN CB C 40 40.113 40.113 38.530 1.583 17578 1157 1 3 . 1 1 5 5 ASN H H 40 9.313 9.313 7.721 1.592 17578 1158 1 3 . 1 1 6 6 LYS N N 41 115.497 115.497 119.423 -3.926 17578 1159 1 3 . 1 1 6 6 LYS HA H 41 3.928 3.928 3.921 0.007 17578 1160 1 3 . 1 1 6 6 LYS C C 41 179.133 179.133 179.039 0.094 17578 1161 1 3 . 1 1 6 6 LYS CA C 41 59.909 59.909 59.226 0.683 17578 1162 1 3 . 1 1 6 6 LYS CB C 41 32.256 32.256 32.066 0.189 17578 1163 1 3 . 1 1 6 6 LYS H H 41 7.230 7.230 7.885 -0.655 17578 1164 1 3 . 1 1 7 7 LYS N N 42 118.961 118.961 119.571 -0.610 17578 1165 1 3 . 1 1 7 7 LYS HA H 42 4.040 4.040 3.993 0.047 17578 1166 1 3 . 1 1 7 7 LYS C C 42 180.272 180.272 179.215 1.057 17578 1167 1 3 . 1 1 7 7 LYS CA C 42 59.988 59.988 59.571 0.417 17578 1168 1 3 . 1 1 7 7 LYS CB C 42 33.462 33.462 32.233 1.229 17578 1169 1 3 . 1 1 7 7 LYS H H 42 7.367 7.367 8.119 -0.752 17578 1170 1 3 . 1 1 8 8 VAL N N 43 122.400 122.400 119.680 2.720 17578 1171 1 3 . 1 1 8 8 VAL HA H 43 3.303 3.303 3.813 -0.510 17578 1172 1 3 . 1 1 8 8 VAL CA C 43 67.430 67.430 67.210 0.220 17578 1173 1 3 . 1 1 8 8 VAL CB C 43 31.374 31.374 31.657 -0.283 17578 1174 1 3 . 1 1 8 8 VAL H H 43 9.215 9.215 7.995 1.220 17578 1175 1 3 . 1 1 9 9 LEU N N 44 119.626 119.626 121.160 -1.534 17578 1176 1 3 . 1 1 9 9 LEU HA H 44 3.833 3.833 3.971 -0.138 17578 1177 1 3 . 1 1 9 9 LEU CA C 44 58.453 58.453 58.327 0.126 17578 1178 1 3 . 1 1 9 9 LEU CB C 44 41.171 41.171 41.390 -0.219 17578 1179 1 3 . 1 1 9 9 LEU H H 44 8.471 8.471 8.175 0.296 17578 1180 1 3 . 1 1 10 10 LYS N N 45 119.761 119.761 118.233 1.528 17578 1181 1 3 . 1 1 10 10 LYS HA H 45 4.026 4.026 4.061 -0.035 17578 1182 1 3 . 1 1 10 10 LYS CA C 45 59.919 59.919 58.995 0.924 17578 1183 1 3 . 1 1 10 10 LYS CB C 45 32.430 32.430 31.571 0.859 17578 1184 1 3 . 1 1 10 10 LYS H H 45 7.883 7.883 8.309 -0.426 17578 1185 1 3 . 1 1 11 11 THR N N 46 116.469 116.469 117.684 -1.215 17578 1186 1 3 . 1 1 11 11 THR HA H 46 4.339 4.339 3.903 0.436 17578 1187 1 3 . 1 1 11 11 THR C C 46 175.987 175.987 176.314 -0.327 17578 1188 1 3 . 1 1 11 11 THR CB C 46 68.013 68.013 68.596 -0.582 17578 1189 1 3 . 1 1 11 11 THR H H 46 7.805 7.805 8.165 -0.360 17578 1190 1 3 . 1 1 12 12 VAL N N 47 121.907 121.907 121.516 0.391 17578 1191 1 3 . 1 1 12 12 VAL HA H 47 3.232 3.232 3.949 -0.717 17578 1192 1 3 . 1 1 12 12 VAL CA C 47 67.331 67.331 65.178 2.153 17578 1193 1 3 . 1 1 12 12 VAL CB C 47 31.438 31.438 31.416 0.022 17578 1194 1 3 . 1 1 12 12 VAL H H 47 8.782 8.782 8.656 0.126 17578 1195 1 3 . 1 1 13 13 LYS N N 48 122.393 122.393 119.333 3.060 17578 1196 1 3 . 1 1 13 13 LYS HA H 48 4.258 4.258 3.910 0.348 17578 1197 1 3 . 1 1 13 13 LYS C C 48 179.808 179.808 178.931 0.877 17578 1198 1 3 . 1 1 13 13 LYS CA C 48 59.999 59.999 59.523 0.476 17578 1199 1 3 . 1 1 13 13 LYS CB C 48 32.553 32.553 32.191 0.362 17578 1200 1 3 . 1 1 13 13 LYS H H 48 8.171 8.171 7.808 0.363 17578 1201 1 3 . 1 1 14 14 LYS N N 49 118.852 118.852 118.029 0.823 17578 1202 1 3 . 1 1 14 14 LYS HA H 49 3.973 3.973 4.094 -0.121 17578 1203 1 3 . 1 1 14 14 LYS CA C 49 59.811 59.811 58.670 1.141 17578 1204 1 3 . 1 1 14 14 LYS CB C 49 33.389 33.389 32.493 0.896 17578 1205 1 3 . 1 1 14 14 LYS H H 49 7.941 7.941 7.825 0.116 17578 1206 1 3 . 1 1 15 15 ALA N N 50 122.047 122.047 121.187 0.860 17578 1207 1 3 . 1 1 15 15 ALA HA H 50 3.496 3.496 3.544 -0.048 17578 1208 1 3 . 1 1 15 15 ALA CA C 50 54.709 54.709 53.969 0.740 17578 1209 1 3 . 1 1 15 15 ALA CB C 50 18.917 18.917 17.360 1.557 17578 1210 1 3 . 1 1 15 15 ALA H H 50 8.544 8.544 7.661 0.883 17578 1211 1 3 . 1 1 16 16 SER N N 51 116.561 116.561 114.725 1.836 17578 1212 1 3 . 1 1 16 16 SER HA H 51 4.730 4.730 4.055 0.675 17578 1213 1 3 . 1 1 16 16 SER C C 51 178.560 178.560 176.606 1.954 17578 1214 1 3 . 1 1 16 16 SER CA C 51 61.680 61.680 61.571 0.109 17578 1215 1 3 . 1 1 16 16 SER CB C 51 62.551 62.551 62.969 -0.418 17578 1216 1 3 . 1 1 16 16 SER H H 51 8.551 8.551 8.079 0.472 17578 1217 1 3 . 1 1 17 17 LYS N N 52 124.890 124.890 122.263 2.627 17578 1218 1 3 . 1 1 17 17 LYS HA H 52 4.072 4.072 4.133 -0.061 17578 1219 1 3 . 1 1 17 17 LYS C C 52 177.377 177.377 177.251 0.126 17578 1220 1 3 . 1 1 17 17 LYS CA C 52 58.931 58.931 57.909 1.022 17578 1221 1 3 . 1 1 17 17 LYS CB C 52 31.961 31.961 32.339 -0.378 17578 1222 1 3 . 1 1 17 17 LYS H H 52 7.578 7.578 7.726 -0.148 17578 1223 1 3 . 1 1 18 18 ALA N N 53 118.628 118.628 119.541 -0.913 17578 1224 1 3 . 1 1 18 18 ALA HA H 53 4.285 4.285 4.539 -0.254 17578 1225 1 3 . 1 1 18 18 ALA C C 53 175.061 175.061 175.811 -0.750 17578 1226 1 3 . 1 1 18 18 ALA CA C 53 51.822 51.822 51.343 0.479 17578 1227 1 3 . 1 1 18 18 ALA CB C 53 19.390 19.390 18.857 0.533 17578 1228 1 3 . 1 1 18 18 ALA H H 53 7.112 7.112 7.603 -0.491 17578 1229 1 3 . 1 1 19 19 LYS N N 54 111.984 111.984 115.668 -3.684 17578 1230 1 3 . 1 1 19 19 LYS HA H 54 4.026 4.026 3.817 0.209 17578 1231 1 3 . 1 1 19 19 LYS CA C 54 57.222 57.222 57.611 -0.389 17578 1232 1 3 . 1 1 19 19 LYS CB C 54 28.387 28.387 29.150 -0.763 17578 1233 1 3 . 1 1 19 19 LYS H H 54 7.653 7.653 7.890 -0.237 17578 1234 1 3 . 1 1 20 20 ASN N N 55 116.088 116.088 114.540 1.548 17578 1235 1 3 . 1 1 20 20 ASN HA H 55 5.102 5.102 4.495 0.607 17578 1236 1 3 . 1 1 20 20 ASN C C 55 172.975 172.975 174.746 -1.771 17578 1237 1 3 . 1 1 20 20 ASN CA C 55 51.215 51.215 54.485 -3.270 17578 1238 1 3 . 1 1 20 20 ASN CB C 55 40.316 40.316 39.274 1.042 17578 1239 1 3 . 1 1 20 20 ASN H H 55 8.118 8.118 7.787 0.331 17578 1240 1 3 . 1 1 21 21 VAL N N 56 114.959 114.959 119.224 -4.265 17578 1241 1 3 . 1 1 21 21 VAL HA H 56 4.938 4.938 4.045 0.893 17578 1242 1 3 . 1 1 21 21 VAL C C 56 175.409 175.409 174.618 0.791 17578 1243 1 3 . 1 1 21 21 VAL CA C 56 60.901 60.901 60.494 0.407 17578 1244 1 3 . 1 1 21 21 VAL CB C 56 35.368 35.368 33.461 1.907 17578 1245 1 3 . 1 1 21 21 VAL H H 56 7.628 7.628 7.545 0.083 17578 1246 1 3 . 1 1 22 22 LYS N N 57 126.485 126.485 127.139 -0.654 17578 1247 1 3 . 1 1 22 22 LYS HA H 57 4.712 4.712 4.641 0.071 17578 1248 1 3 . 1 1 22 22 LYS C C 57 175.394 175.394 174.587 0.807 17578 1249 1 3 . 1 1 22 22 LYS CA C 57 54.485 54.485 53.962 0.523 17578 1250 1 3 . 1 1 22 22 LYS CB C 57 33.669 33.669 36.120 -2.451 17578 1251 1 3 . 1 1 22 22 LYS H H 57 8.987 8.987 8.474 0.513 17578 1252 1 3 . 1 1 23 23 ARG N N 58 122.011 122.011 119.972 2.039 17578 1253 1 3 . 1 1 23 23 ARG HA H 58 4.837 4.837 5.022 -0.185 17578 1254 1 3 . 1 1 23 23 ARG C C 58 175.930 175.930 175.782 0.148 17578 1255 1 3 . 1 1 23 23 ARG CA C 58 55.872 55.872 55.130 0.742 17578 1256 1 3 . 1 1 23 23 ARG CB C 58 33.513 33.513 32.234 1.279 17578 1257 1 3 . 1 1 23 23 ARG H H 58 9.024 9.024 8.567 0.457 17578 1258 1 3 . 1 1 24 24 GLY N N 59 111.007 111.007 112.787 -1.780 17578 1259 1 3 . 1 1 24 24 GLY CA C 59 44.790 44.790 44.944 -0.154 17578 1260 1 3 . 1 1 24 24 GLY H H 59 8.315 8.315 9.136 -0.821 17578 1261 1 3 . 1 1 25 25 VAL N N 60 119.423 119.423 122.388 -2.965 17578 1262 1 3 . 1 1 25 25 VAL HA H 60 3.156 3.156 3.413 -0.257 17578 1263 1 3 . 1 1 25 25 VAL C C 60 176.562 176.562 177.024 -0.462 17578 1264 1 3 . 1 1 25 25 VAL CA C 60 68.037 68.037 65.419 2.618 17578 1265 1 3 . 1 1 25 25 VAL CB C 60 32.050 32.050 31.632 0.418 17578 1266 1 3 . 1 1 25 25 VAL H H 60 8.152 8.152 8.600 -0.448 17578 1267 1 3 . 1 1 26 26 LYS N N 61 117.316 117.316 118.573 -1.257 17578 1268 1 3 . 1 1 26 26 LYS HA H 61 3.919 3.919 4.059 -0.140 17578 1269 1 3 . 1 1 26 26 LYS C C 61 180.130 180.130 178.778 1.352 17578 1270 1 3 . 1 1 26 26 LYS CA C 61 60.157 60.157 59.549 0.608 17578 1271 1 3 . 1 1 26 26 LYS CB C 61 32.041 32.041 32.067 -0.026 17578 1272 1 3 . 1 1 26 26 LYS H H 61 8.156 8.156 8.658 -0.502 17578 1273 1 3 . 1 1 27 27 GLU N N 62 117.535 117.535 119.734 -2.199 17578 1274 1 3 . 1 1 27 27 GLU HA H 62 3.961 3.961 4.144 -0.183 17578 1275 1 3 . 1 1 27 27 GLU CA C 62 58.787 58.787 59.503 -0.716 17578 1276 1 3 . 1 1 27 27 GLU CB C 62 29.843 29.843 29.794 0.049 17578 1277 1 3 . 1 1 27 27 GLU H H 62 8.531 8.531 7.828 0.703 17578 1278 1 3 . 1 1 28 28 VAL N N 63 120.589 120.589 117.195 3.394 17578 1279 1 3 . 1 1 28 28 VAL HA H 63 3.498 3.498 2.598 0.900 17578 1280 1 3 . 1 1 28 28 VAL CA C 63 68.099 68.099 66.033 2.066 17578 1281 1 3 . 1 1 28 28 VAL CB C 63 31.376 31.376 30.915 0.461 17578 1282 1 3 . 1 1 28 28 VAL H H 63 8.255 8.255 7.968 0.287 17578 1283 1 3 . 1 1 29 29 VAL N N 64 118.570 118.570 120.880 -2.310 17578 1284 1 3 . 1 1 29 29 VAL HA H 64 3.359 3.359 3.505 -0.146 17578 1285 1 3 . 1 1 29 29 VAL C C 64 177.549 177.549 178.071 -0.522 17578 1286 1 3 . 1 1 29 29 VAL CA C 64 67.456 67.456 66.626 0.830 17578 1287 1 3 . 1 1 29 29 VAL CB C 64 31.233 31.233 31.387 -0.154 17578 1288 1 3 . 1 1 29 29 VAL H H 64 8.535 8.535 8.021 0.514 17578 1289 1 3 . 1 1 30 30 LYS N N 65 117.926 117.926 119.721 -1.795 17578 1290 1 3 . 1 1 30 30 LYS HA H 65 3.875 3.875 3.859 0.016 17578 1291 1 3 . 1 1 30 30 LYS CA C 65 59.811 59.811 59.932 -0.121 17578 1292 1 3 . 1 1 30 30 LYS CB C 65 32.715 32.715 32.212 0.503 17578 1293 1 3 . 1 1 30 30 LYS H H 65 7.538 7.538 7.804 -0.266 17578 1294 1 3 . 1 1 31 31 ALA N N 66 120.475 120.475 122.174 -1.699 17578 1295 1 3 . 1 1 31 31 ALA HA H 66 4.071 4.071 4.523 -0.452 17578 1296 1 3 . 1 1 31 31 ALA C C 66 179.596 179.596 179.443 0.153 17578 1297 1 3 . 1 1 31 31 ALA CA C 66 55.051 55.051 54.871 0.180 17578 1298 1 3 . 1 1 31 31 ALA CB C 66 18.901 18.901 18.378 0.523 17578 1299 1 3 . 1 1 31 31 ALA H H 66 7.496 7.496 7.947 -0.451 17578 1300 1 3 . 1 1 32 32 LEU N N 67 119.357 119.357 119.265 0.092 17578 1301 1 3 . 1 1 32 32 LEU HA H 67 3.854 3.854 4.088 -0.234 17578 1302 1 3 . 1 1 32 32 LEU CA C 67 57.859 57.859 57.779 0.080 17578 1303 1 3 . 1 1 32 32 LEU CB C 67 42.442 42.442 41.947 0.495 17578 1304 1 3 . 1 1 32 32 LEU H H 67 8.376 8.376 7.786 0.590 17578 1305 1 3 . 1 1 33 33 ARG N N 68 116.045 116.045 117.606 -1.561 17578 1306 1 3 . 1 1 33 33 ARG HA H 68 3.802 3.802 4.075 -0.273 17578 1307 1 3 . 1 1 33 33 ARG CA C 68 59.306 59.306 58.374 0.932 17578 1308 1 3 . 1 1 33 33 ARG CB C 68 29.759 29.759 30.520 -0.761 17578 1309 1 3 . 1 1 33 33 ARG H H 68 8.091 8.091 7.900 0.191 17578 1310 1 3 . 1 1 34 34 LYS N N 69 117.845 117.845 117.881 -0.036 17578 1311 1 3 . 1 1 34 34 LYS HA H 69 4.255 4.255 4.174 0.081 17578 1312 1 3 . 1 1 34 34 LYS C C 69 176.831 176.831 177.722 -0.891 17578 1313 1 3 . 1 1 34 34 LYS CA C 69 56.548 56.548 57.664 -1.116 17578 1314 1 3 . 1 1 34 34 LYS CB C 69 32.710 32.710 33.040 -0.330 17578 1315 1 3 . 1 1 34 34 LYS H H 69 7.616 7.616 7.991 -0.375 17578 1316 1 3 . 1 1 35 35 GLY N N 70 106.783 106.783 104.285 2.498 17578 1317 1 3 . 1 1 35 35 GLY CA C 70 45.537 45.537 45.326 0.211 17578 1318 1 3 . 1 1 35 35 GLY H H 70 7.739 7.739 8.623 -0.884 17578 1319 1 3 . 1 1 36 36 GLU N N 71 119.424 119.424 117.535 1.889 17578 1320 1 3 . 1 1 36 36 GLU HA H 71 4.226 4.226 4.545 -0.319 17578 1321 1 3 . 1 1 36 36 GLU C C 71 175.400 175.400 175.955 -0.555 17578 1322 1 3 . 1 1 36 36 GLU CA C 71 57.414 57.414 54.892 2.522 17578 1323 1 3 . 1 1 36 36 GLU CB C 71 29.442 29.442 29.405 0.037 17578 1324 1 3 . 1 1 36 36 GLU H H 71 7.698 7.698 7.997 -0.299 17578 1325 1 3 . 1 1 37 37 LYS N N 72 118.290 118.290 122.016 -3.726 17578 1326 1 3 . 1 1 37 37 LYS HA H 72 4.903 4.903 4.291 0.612 17578 1327 1 3 . 1 1 37 37 LYS C C 72 175.809 175.809 176.164 -0.355 17578 1328 1 3 . 1 1 37 37 LYS CA C 72 53.791 53.791 57.525 -3.734 17578 1329 1 3 . 1 1 37 37 LYS CB C 72 34.781 34.781 32.569 2.212 17578 1330 1 3 . 1 1 37 37 LYS H H 72 8.223 8.223 7.308 0.915 17578 1331 1 3 . 1 1 38 38 GLY N N 73 104.682 104.682 111.399 -6.717 17578 1332 1 3 . 1 1 38 38 GLY C C 73 171.884 171.884 173.692 -1.808 17578 1333 1 3 . 1 1 38 38 GLY CA C 73 46.360 46.360 45.057 1.303 17578 1334 1 3 . 1 1 38 38 GLY H H 73 7.217 7.217 8.339 -1.122 17578 1335 1 3 . 1 1 39 39 LEU N N 74 125.372 125.372 121.235 4.137 17578 1336 1 3 . 1 1 39 39 LEU HA H 74 4.994 4.994 4.816 0.178 17578 1337 1 3 . 1 1 39 39 LEU C C 74 174.380 174.380 175.942 -1.562 17578 1338 1 3 . 1 1 39 39 LEU CA C 74 54.363 54.363 53.212 1.151 17578 1339 1 3 . 1 1 39 39 LEU CB C 74 47.028 47.028 44.719 2.309 17578 1340 1 3 . 1 1 39 39 LEU H H 74 8.945 8.945 7.842 1.103 17578 1341 1 3 . 1 1 40 40 VAL N N 75 130.967 130.967 123.640 7.327 17578 1342 1 3 . 1 1 40 40 VAL HA H 75 4.644 4.644 4.328 0.316 17578 1343 1 3 . 1 1 40 40 VAL C C 75 173.667 173.667 174.724 -1.057 17578 1344 1 3 . 1 1 40 40 VAL CA C 75 62.273 62.273 62.091 0.182 17578 1345 1 3 . 1 1 40 40 VAL CB C 75 32.591 32.591 32.451 0.140 17578 1346 1 3 . 1 1 40 40 VAL H H 75 8.551 8.551 8.543 0.008 17578 1347 1 3 . 1 1 41 41 VAL N N 76 127.493 127.493 127.238 0.255 17578 1348 1 3 . 1 1 41 41 VAL HA H 76 4.660 4.660 4.386 0.274 17578 1349 1 3 . 1 1 41 41 VAL C C 76 173.669 173.669 174.789 -1.120 17578 1350 1 3 . 1 1 41 41 VAL CA C 76 60.899 60.899 61.154 -0.255 17578 1351 1 3 . 1 1 41 41 VAL CB C 76 33.346 33.346 32.913 0.433 17578 1352 1 3 . 1 1 41 41 VAL H H 76 8.804 8.804 9.077 -0.273 17578 1353 1 3 . 1 1 42 42 ILE N N 77 125.646 125.646 126.604 -0.958 17578 1354 1 3 . 1 1 42 42 ILE HA H 77 4.444 4.444 4.530 -0.086 17578 1355 1 3 . 1 1 42 42 ILE C C 77 174.817 174.817 174.437 0.380 17578 1356 1 3 . 1 1 42 42 ILE CA C 77 59.700 59.700 58.102 1.598 17578 1357 1 3 . 1 1 42 42 ILE CB C 77 39.977 39.977 39.790 0.187 17578 1358 1 3 . 1 1 42 42 ILE H H 77 8.613 8.613 8.421 0.192 17578 1359 1 3 . 1 1 43 43 ALA N N 78 128.691 128.691 128.837 -0.146 17578 1360 1 3 . 1 1 43 43 ALA HA H 78 4.459 4.459 5.121 -0.662 17578 1361 1 3 . 1 1 43 43 ALA C C 78 177.584 177.584 178.264 -0.680 17578 1362 1 3 . 1 1 43 43 ALA CA C 78 52.372 52.372 50.016 2.356 17578 1363 1 3 . 1 1 43 43 ALA CB C 78 19.504 19.504 19.774 -0.270 17578 1364 1 3 . 1 1 43 43 ALA H H 78 8.565 8.565 8.174 0.391 17578 1365 1 3 . 1 1 44 44 GLY N N 79 103.957 103.957 109.790 -5.833 17578 1366 1 3 . 1 1 44 44 GLY C C 79 173.252 173.252 174.231 -0.979 17578 1367 1 3 . 1 1 44 44 GLY CA C 79 45.764 45.764 46.126 -0.362 17578 1368 1 3 . 1 1 44 44 GLY H H 79 9.083 9.083 8.805 0.278 17578 1369 1 3 . 1 1 45 45 ASP N N 80 118.632 118.632 120.626 -1.994 17578 1370 1 3 . 1 1 45 45 ASP HA H 80 4.918 4.918 4.748 0.170 17578 1371 1 3 . 1 1 45 45 ASP CA C 80 52.689 52.689 53.387 -0.698 17578 1372 1 3 . 1 1 45 45 ASP CB C 80 39.118 39.118 40.491 -1.373 17578 1373 1 3 . 1 1 45 45 ASP H H 80 8.695 8.695 8.033 0.662 17578 1374 1 3 . 1 1 46 46 ILE N N 81 117.935 117.935 118.123 -0.188 17578 1375 1 3 . 1 1 46 46 ILE HA H 81 4.179 4.179 3.882 0.297 17578 1376 1 3 . 1 1 46 46 ILE C C 81 172.890 172.890 173.725 -0.835 17578 1377 1 3 . 1 1 46 46 ILE CA C 81 59.242 59.242 59.737 -0.495 17578 1378 1 3 . 1 1 46 46 ILE CB C 81 39.253 39.253 41.682 -2.429 17578 1379 1 3 . 1 1 46 46 ILE H H 81 6.730 6.730 7.155 -0.425 17578 1380 1 3 . 1 1 47 47 TRP N N 82 123.585 123.585 125.101 -1.516 17578 1381 1 3 . 1 1 47 47 TRP HA H 82 4.587 4.587 5.205 -0.618 17578 1382 1 3 . 1 1 47 47 TRP CA C 82 55.386 55.386 53.800 1.586 17578 1383 1 3 . 1 1 47 47 TRP CB C 82 32.147 32.147 28.611 3.536 17578 1384 1 3 . 1 1 47 47 TRP H H 82 7.804 7.804 7.616 0.188 17578 1385 1 3 . 1 1 48 48 PRO HA H 83 4.248 4.248 4.601 -0.353 17578 1386 1 3 . 1 1 48 48 PRO CA C 83 62.712 62.712 62.395 0.318 17578 1387 1 3 . 1 1 48 48 PRO CB C 83 34.011 34.011 32.561 1.450 17578 1388 1 3 . 1 1 49 49 ALA N N 84 121.827 121.827 120.149 1.678 17578 1389 1 3 . 1 1 49 49 ALA HA H 84 3.969 3.969 4.298 -0.329 17578 1390 1 3 . 1 1 49 49 ALA CA C 84 54.183 54.183 52.694 1.488 17578 1391 1 3 . 1 1 49 49 ALA CB C 84 19.404 19.404 18.546 0.858 17578 1392 1 3 . 1 1 49 49 ALA H H 84 8.198 8.198 8.508 -0.310 17578 1393 1 3 . 1 1 50 50 ASP N N 85 114.049 114.049 119.977 -5.928 17578 1394 1 3 . 1 1 50 50 ASP HA H 85 4.301 4.301 4.383 -0.082 17578 1395 1 3 . 1 1 50 50 ASP C C 85 177.428 177.428 178.010 -0.582 17578 1396 1 3 . 1 1 50 50 ASP CA C 85 55.777 55.777 57.528 -1.751 17578 1397 1 3 . 1 1 50 50 ASP CB C 85 40.060 40.060 40.642 -0.582 17578 1398 1 3 . 1 1 50 50 ASP H H 85 8.008 8.008 8.674 -0.666 17578 1399 1 3 . 1 1 51 51 VAL N N 86 116.790 116.790 117.238 -0.448 17578 1400 1 3 . 1 1 51 51 VAL HA H 86 3.841 3.841 3.705 0.136 17578 1401 1 3 . 1 1 51 51 VAL C C 86 176.231 176.231 177.209 -0.978 17578 1402 1 3 . 1 1 51 51 VAL CA C 86 65.332 65.332 65.248 0.084 17578 1403 1 3 . 1 1 51 51 VAL CB C 86 32.123 32.123 30.777 1.346 17578 1404 1 3 . 1 1 51 51 VAL H H 86 7.542 7.542 7.486 0.056 17578 1405 1 3 . 1 1 52 52 ILE N N 87 107.529 107.529 119.784 -12.255 17578 1406 1 3 . 1 1 52 52 ILE HA H 87 4.638 4.638 3.807 0.831 17578 1407 1 3 . 1 1 52 52 ILE C C 87 178.026 178.026 177.862 0.164 17578 1408 1 3 . 1 1 52 52 ILE CA C 87 59.806 59.806 63.520 -3.714 17578 1409 1 3 . 1 1 52 52 ILE CB C 87 40.742 40.742 36.455 4.287 17578 1410 1 3 . 1 1 52 52 ILE H H 87 7.310 7.310 8.391 -1.081 17578 1411 1 3 . 1 1 53 53 SER N N 88 116.004 116.004 115.261 0.743 17578 1412 1 3 . 1 1 53 53 SER HA H 88 4.566 4.566 4.310 0.256 17578 1413 1 3 . 1 1 53 53 SER CA C 88 61.760 61.760 60.589 1.171 17578 1414 1 3 . 1 1 53 53 SER CB C 88 62.391 62.391 63.773 -1.382 17578 1415 1 3 . 1 1 53 53 SER H H 88 7.827 7.827 8.275 -0.448 17578 1416 1 3 . 1 1 54 54 HIS HA H 89 4.572 4.572 4.466 0.106 17578 1417 1 3 . 1 1 54 54 HIS CA C 89 56.789 56.789 59.123 -2.334 17578 1418 1 3 . 1 1 54 54 HIS CB C 89 30.527 30.527 30.097 0.430 17578 1419 1 3 . 1 1 55 55 ILE N N 90 120.579 120.579 121.400 -0.821 17578 1420 1 3 . 1 1 55 55 ILE HA H 90 3.512 3.512 3.882 -0.370 17578 1421 1 3 . 1 1 55 55 ILE CA C 90 65.424 65.424 67.062 -1.638 17578 1422 1 3 . 1 1 55 55 ILE CB C 90 34.176 34.176 35.930 -1.754 17578 1423 1 3 . 1 1 55 55 ILE H H 90 7.764 7.764 8.180 -0.416 17578 1424 1 3 . 1 1 56 56 PRO HA H 91 2.942 2.942 4.368 -1.426 17578 1425 1 3 . 1 1 56 56 PRO C C 91 177.032 177.032 178.849 -1.817 17578 1426 1 3 . 1 1 56 56 PRO CA C 91 66.842 66.842 65.826 1.016 17578 1427 1 3 . 1 1 56 56 PRO CB C 91 31.206 31.206 31.442 -0.236 17578 1428 1 3 . 1 1 57 57 VAL N N 92 114.379 114.379 119.329 -4.950 17578 1429 1 3 . 1 1 57 57 VAL HA H 92 3.574 3.574 3.759 -0.185 17578 1430 1 3 . 1 1 57 57 VAL CA C 92 65.900 65.900 66.590 -0.690 17578 1431 1 3 . 1 1 57 57 VAL CB C 92 31.600 31.600 31.944 -0.344 17578 1432 1 3 . 1 1 57 57 VAL H H 92 6.497 6.497 7.621 -1.124 17578 1433 1 3 . 1 1 58 58 LEU N N 93 120.522 120.522 119.225 1.297 17578 1434 1 3 . 1 1 58 58 LEU HA H 93 4.227 4.227 4.104 0.123 17578 1435 1 3 . 1 1 58 58 LEU C C 93 180.251 180.251 178.341 1.910 17578 1436 1 3 . 1 1 58 58 LEU CA C 93 57.838 57.838 58.052 -0.214 17578 1437 1 3 . 1 1 58 58 LEU CB C 93 43.172 43.172 40.956 2.216 17578 1438 1 3 . 1 1 58 58 LEU H H 93 7.460 7.460 7.469 -0.009 17578 1439 1 3 . 1 1 59 59 CYS N N 94 117.195 117.195 118.547 -1.352 17578 1440 1 3 . 1 1 59 59 CYS HA H 94 3.867 3.867 4.359 -0.492 17578 1441 1 3 . 1 1 59 59 CYS C C 94 176.362 176.362 176.723 -0.361 17578 1442 1 3 . 1 1 59 59 CYS CA C 94 65.379 65.379 62.457 2.922 17578 1443 1 3 . 1 1 59 59 CYS CB C 94 26.344 26.344 27.902 -1.558 17578 1444 1 3 . 1 1 59 59 CYS H H 94 8.335 8.335 8.052 0.283 17578 1445 1 3 . 1 1 60 60 GLU N N 95 120.777 120.777 119.035 1.742 17578 1446 1 3 . 1 1 60 60 GLU HA H 95 4.209 4.209 4.122 0.087 17578 1447 1 3 . 1 1 60 60 GLU CA C 95 59.760 59.760 58.672 1.088 17578 1448 1 3 . 1 1 60 60 GLU CB C 95 29.201 29.201 29.678 -0.477 17578 1449 1 3 . 1 1 60 60 GLU H H 95 8.235 8.235 8.279 -0.044 17578 1450 1 3 . 1 1 61 61 ASP N N 96 120.910 120.910 118.526 2.384 17578 1451 1 3 . 1 1 61 61 ASP HA H 96 4.292 4.292 4.517 -0.225 17578 1452 1 3 . 1 1 61 61 ASP C C 96 177.890 177.890 177.563 0.327 17578 1453 1 3 . 1 1 61 61 ASP CA C 96 57.235 57.235 55.981 1.254 17578 1454 1 3 . 1 1 61 61 ASP CB C 96 40.580 40.580 41.253 -0.673 17578 1455 1 3 . 1 1 61 61 ASP H H 96 8.509 8.509 7.736 0.773 17578 1456 1 3 . 1 1 62 62 HIS N N 97 115.923 115.923 117.352 -1.429 17578 1457 1 3 . 1 1 62 62 HIS HA H 97 4.495 4.495 4.814 -0.319 17578 1458 1 3 . 1 1 62 62 HIS C C 97 173.548 173.548 174.319 -0.771 17578 1459 1 3 . 1 1 62 62 HIS CA C 97 57.290 57.290 55.873 1.417 17578 1460 1 3 . 1 1 62 62 HIS CB C 97 29.997 29.997 32.183 -2.186 17578 1461 1 3 . 1 1 62 62 HIS H H 97 7.635 7.635 7.898 -0.263 17578 1462 1 3 . 1 1 63 63 SER N N 98 114.634 114.634 113.954 0.680 17578 1463 1 3 . 1 1 63 63 SER HA H 98 4.489 4.489 4.157 0.332 17578 1464 1 3 . 1 1 63 63 SER C C 98 173.949 173.949 172.241 1.708 17578 1465 1 3 . 1 1 63 63 SER CA C 98 58.842 58.842 58.425 0.417 17578 1466 1 3 . 1 1 63 63 SER CB C 98 61.396 61.396 62.781 -1.385 17578 1467 1 3 . 1 1 63 63 SER H H 98 7.888 7.888 7.973 -0.085 17578 1468 1 3 . 1 1 64 64 VAL N N 99 123.090 123.090 123.921 -0.831 17578 1469 1 3 . 1 1 64 64 VAL HA H 99 4.721 4.721 4.328 0.393 17578 1470 1 3 . 1 1 64 64 VAL CA C 99 58.978 58.978 58.795 0.182 17578 1471 1 3 . 1 1 64 64 VAL CB C 99 35.228 35.228 35.077 0.151 17578 1472 1 3 . 1 1 64 64 VAL H H 99 8.590 8.590 8.050 0.540 17578 1473 1 3 . 1 1 65 65 PRO HA H 100 4.263 4.263 4.092 0.171 17578 1474 1 3 . 1 1 65 65 PRO C C 100 173.191 173.191 175.484 -2.293 17578 1475 1 3 . 1 1 65 65 PRO CA C 100 63.427 63.427 62.547 0.879 17578 1476 1 3 . 1 1 65 65 PRO CB C 100 31.863 31.863 32.058 -0.195 17578 1477 1 3 . 1 1 66 66 TYR N N 101 114.702 114.702 119.617 -4.915 17578 1478 1 3 . 1 1 66 66 TYR HA H 101 5.925 5.925 5.609 0.316 17578 1479 1 3 . 1 1 66 66 TYR CA C 101 53.501 53.501 55.307 -1.806 17578 1480 1 3 . 1 1 66 66 TYR CB C 101 41.793 41.793 41.580 0.213 17578 1481 1 3 . 1 1 66 66 TYR H H 101 6.243 6.243 7.375 -1.132 17578 1482 1 3 . 1 1 67 67 ILE N N 102 111.885 111.885 115.642 -3.757 17578 1483 1 3 . 1 1 67 67 ILE HA H 102 4.502 4.502 4.508 -0.006 17578 1484 1 3 . 1 1 67 67 ILE C C 102 172.358 172.358 174.030 -1.672 17578 1485 1 3 . 1 1 67 67 ILE CA C 102 55.442 55.442 60.746 -5.304 17578 1486 1 3 . 1 1 67 67 ILE CB C 102 43.124 43.124 42.683 0.441 17578 1487 1 3 . 1 1 67 67 ILE H H 102 7.986 7.986 8.495 -0.509 17578 1488 1 3 . 1 1 68 68 PHE N N 103 122.274 122.274 126.776 -4.502 17578 1489 1 3 . 1 1 68 68 PHE HA H 103 5.087 5.087 4.903 0.184 17578 1490 1 3 . 1 1 68 68 PHE C C 103 176.173 176.173 174.088 2.085 17578 1491 1 3 . 1 1 68 68 PHE CA C 103 56.103 56.103 57.103 -1.000 17578 1492 1 3 . 1 1 68 68 PHE CB C 103 39.891 39.891 40.278 -0.387 17578 1493 1 3 . 1 1 68 68 PHE H H 103 8.108 8.108 8.464 -0.356 17578 1494 1 3 . 1 1 69 69 ILE N N 104 114.613 114.613 121.838 -7.225 17578 1495 1 3 . 1 1 69 69 ILE HA H 104 4.927 4.927 5.189 -0.262 17578 1496 1 3 . 1 1 69 69 ILE CA C 104 57.831 57.831 56.784 1.047 17578 1497 1 3 . 1 1 69 69 ILE CB C 104 38.302 38.302 38.898 -0.596 17578 1498 1 3 . 1 1 69 69 ILE H H 104 8.843 8.843 8.240 0.603 17578 1499 1 3 . 1 1 70 70 PRO HA H 105 4.093 4.093 4.470 -0.377 17578 1500 1 3 . 1 1 70 70 PRO CA C 105 66.439 66.439 62.872 3.567 17578 1501 1 3 . 1 1 70 70 PRO CB C 105 32.879 32.879 32.696 0.183 17578 1502 1 3 . 1 1 71 71 SER N N 106 106.896 106.896 110.062 -3.166 17578 1503 1 3 . 1 1 71 71 SER HA H 106 5.227 5.227 4.480 0.747 17578 1504 1 3 . 1 1 71 71 SER CA C 106 55.373 55.373 58.848 -3.475 17578 1505 1 3 . 1 1 71 71 SER CB C 106 64.696 64.696 64.341 0.355 17578 1506 1 3 . 1 1 71 71 SER H H 106 7.548 7.548 8.080 -0.532 17578 1507 1 3 . 1 1 72 72 LYS N N 107 119.881 119.881 121.597 -1.716 17578 1508 1 3 . 1 1 72 72 LYS HA H 107 4.191 4.191 3.904 0.287 17578 1509 1 3 . 1 1 72 72 LYS CA C 107 58.623 58.623 59.772 -1.149 17578 1510 1 3 . 1 1 72 72 LYS CB C 107 30.957 30.957 32.059 -1.103 17578 1511 1 3 . 1 1 72 72 LYS H H 107 8.328 8.328 8.293 0.035 17578 1512 1 3 . 1 1 73 73 GLN N N 108 123.720 123.720 116.999 6.721 17578 1513 1 3 . 1 1 73 73 GLN HA H 108 4.013 4.013 4.123 -0.110 17578 1514 1 3 . 1 1 73 73 GLN CA C 108 58.621 58.621 59.297 -0.676 17578 1515 1 3 . 1 1 73 73 GLN CB C 108 28.331 28.331 27.938 0.393 17578 1516 1 3 . 1 1 73 73 GLN H H 108 8.543 8.543 8.342 0.201 17578 1517 1 3 . 1 1 74 74 ASP N N 109 121.068 121.068 118.953 2.115 17578 1518 1 3 . 1 1 74 74 ASP HA H 109 4.353 4.353 4.285 0.068 17578 1519 1 3 . 1 1 74 74 ASP CA C 109 56.941 56.941 57.703 -0.762 17578 1520 1 3 . 1 1 74 74 ASP CB C 109 40.403 40.403 40.454 -0.051 17578 1521 1 3 . 1 1 74 74 ASP H H 109 7.998 7.998 8.576 -0.578 17578 1522 1 3 . 1 1 75 75 LEU N N 110 120.670 120.670 118.910 1.760 17578 1523 1 3 . 1 1 75 75 LEU HA H 110 3.967 3.967 4.109 -0.142 17578 1524 1 3 . 1 1 75 75 LEU C C 110 178.753 178.753 179.466 -0.713 17578 1525 1 3 . 1 1 75 75 LEU CA C 110 57.080 57.080 57.164 -0.084 17578 1526 1 3 . 1 1 75 75 LEU CB C 110 41.235 41.235 41.794 -0.559 17578 1527 1 3 . 1 1 75 75 LEU H H 110 7.999 7.999 7.665 0.334 17578 1528 1 3 . 1 1 76 76 GLY N N 111 105.512 105.512 107.358 -1.846 17578 1529 1 3 . 1 1 76 76 GLY C C 111 175.517 175.517 174.953 0.564 17578 1530 1 3 . 1 1 76 76 GLY CA C 111 46.745 46.745 47.358 -0.613 17578 1531 1 3 . 1 1 76 76 GLY H H 111 8.012 8.012 7.981 0.031 17578 1532 1 3 . 1 1 77 77 ALA N N 112 122.891 122.891 123.654 -0.763 17578 1533 1 3 . 1 1 77 77 ALA HA H 112 4.180 4.180 4.438 -0.258 17578 1534 1 3 . 1 1 77 77 ALA CA C 112 53.652 53.652 53.627 0.025 17578 1535 1 3 . 1 1 77 77 ALA CB C 112 18.482 18.482 18.418 0.064 17578 1536 1 3 . 1 1 77 77 ALA H H 112 7.785 7.785 8.122 -0.337 17578 1537 1 3 . 1 1 78 78 ALA N N 113 121.205 121.205 120.534 0.671 17578 1538 1 3 . 1 1 78 78 ALA HA H 113 4.213 4.213 4.006 0.207 17578 1539 1 3 . 1 1 78 78 ALA CA C 113 53.503 53.503 54.294 -0.791 17578 1540 1 3 . 1 1 78 78 ALA CB C 113 18.897 18.897 19.010 -0.113 17578 1541 1 3 . 1 1 78 78 ALA H H 113 7.787 7.787 7.974 -0.187 17578 1542 1 3 . 1 1 79 79 GLY N N 114 104.082 104.082 102.423 1.659 17578 1543 1 3 . 1 1 79 79 GLY CA C 114 44.764 44.764 44.870 -0.106 17578 1544 1 3 . 1 1 79 79 GLY H H 114 7.756 7.756 7.963 -0.207 17578 1545 1 3 . 1 1 80 80 ALA HA H 115 4.061 4.061 4.071 -0.010 17578 1546 1 3 . 1 1 80 80 ALA CA C 115 53.192 53.192 52.925 0.267 17578 1547 1 3 . 1 1 80 80 ALA CB C 115 19.493 19.493 16.603 2.890 17578 1548 1 3 . 1 1 81 81 THR N N 116 116.258 116.258 113.240 3.018 17578 1549 1 3 . 1 1 81 81 THR CA C 116 57.223 57.223 60.109 -2.886 17578 1550 1 3 . 1 1 81 81 THR CB C 116 64.784 64.784 70.291 -5.507 17578 1551 1 3 . 1 1 81 81 THR H H 116 8.121 8.121 7.814 0.307 17578 1552 1 3 . 1 1 83 83 ARG N N 118 122.269 122.269 119.804 2.465 17578 1553 1 3 . 1 1 83 83 ARG H H 118 8.128 8.128 8.154 -0.026 17578 1554 1 3 . 1 1 85 85 THR N N 120 120.171 120.171 110.962 9.209 17578 1555 1 3 . 1 1 85 85 THR C C 120 172.729 172.729 173.986 -1.257 17578 1556 1 3 . 1 1 85 85 THR H H 120 8.127 8.127 8.054 0.073 17578 1557 1 3 . 1 1 86 86 SER N N 121 115.808 115.808 113.778 2.030 17578 1558 1 3 . 1 1 86 86 SER HA H 121 4.280 4.280 4.515 -0.235 17578 1559 1 3 . 1 1 86 86 SER CA C 121 59.573 59.573 58.674 0.899 17578 1560 1 3 . 1 1 86 86 SER CB C 121 64.384 64.384 63.801 0.583 17578 1561 1 3 . 1 1 86 86 SER H H 121 7.045 7.045 8.188 -1.143 17578 1562 1 3 . 1 1 87 87 VAL N N 122 115.790 115.790 119.847 -4.057 17578 1563 1 3 . 1 1 87 87 VAL HA H 122 5.203 5.203 4.551 0.652 17578 1564 1 3 . 1 1 87 87 VAL CA C 122 59.412 59.412 60.081 -0.669 17578 1565 1 3 . 1 1 87 87 VAL CB C 122 32.729 32.729 31.269 1.460 17578 1566 1 3 . 1 1 87 87 VAL H H 122 7.082 7.082 7.763 -0.681 17578 1567 1 3 . 1 1 88 88 VAL N N 123 119.313 119.313 128.719 -9.406 17578 1568 1 3 . 1 1 88 88 VAL HA H 123 5.097 5.097 5.069 0.028 17578 1569 1 3 . 1 1 88 88 VAL C C 123 172.990 172.990 173.523 -0.533 17578 1570 1 3 . 1 1 88 88 VAL CA C 123 58.925 58.925 59.427 -0.502 17578 1571 1 3 . 1 1 88 88 VAL CB C 123 35.929 35.929 35.079 0.850 17578 1572 1 3 . 1 1 88 88 VAL H H 123 8.948 8.948 8.226 0.722 17578 1573 1 3 . 1 1 89 89 PHE N N 124 122.616 122.616 128.188 -5.572 17578 1574 1 3 . 1 1 89 89 PHE HA H 124 5.641 5.641 5.460 0.181 17578 1575 1 3 . 1 1 89 89 PHE C C 124 174.686 174.686 173.124 1.562 17578 1576 1 3 . 1 1 89 89 PHE CA C 124 52.579 52.579 54.305 -1.726 17578 1577 1 3 . 1 1 89 89 PHE CB C 124 42.392 42.392 42.363 0.029 17578 1578 1 3 . 1 1 89 89 PHE H H 124 9.065 9.065 9.161 -0.096 17578 1579 1 3 . 1 1 90 90 ILE N N 125 127.599 127.599 122.417 5.182 17578 1580 1 3 . 1 1 90 90 ILE HA H 125 4.268 4.268 4.104 0.164 17578 1581 1 3 . 1 1 90 90 ILE C C 125 173.652 173.652 174.927 -1.275 17578 1582 1 3 . 1 1 90 90 ILE CA C 125 61.605 61.605 59.982 1.623 17578 1583 1 3 . 1 1 90 90 ILE CB C 125 39.533 39.533 38.565 0.968 17578 1584 1 3 . 1 1 90 90 ILE H H 125 9.498 9.498 8.763 0.735 17578 1585 1 3 . 1 1 91 91 VAL N N 126 126.693 126.693 125.435 1.258 17578 1586 1 3 . 1 1 91 91 VAL HA H 126 4.595 4.595 4.553 0.042 17578 1587 1 3 . 1 1 91 91 VAL CA C 126 58.380 58.380 58.898 -0.518 17578 1588 1 3 . 1 1 91 91 VAL CB C 126 32.597 32.597 32.931 -0.334 17578 1589 1 3 . 1 1 91 91 VAL H H 126 8.169 8.169 8.355 -0.186 17578 1590 1 3 . 1 1 92 92 PRO HA H 127 4.044 4.044 4.472 -0.428 17578 1591 1 3 . 1 1 92 92 PRO CA C 127 63.380 63.380 62.915 0.465 17578 1592 1 3 . 1 1 92 92 PRO CB C 127 31.735 31.735 30.125 1.610 17578 1593 1 3 . 1 1 93 93 GLY N N 128 108.589 108.589 113.699 -5.110 17578 1594 1 3 . 1 1 93 93 GLY CA C 128 45.443 45.443 45.871 -0.428 17578 1595 1 3 . 1 1 93 93 GLY H H 128 8.022 8.022 8.541 -0.519 17578 1596 1 3 . 1 1 94 94 SER N N 129 113.115 113.115 116.279 -3.164 17578 1597 1 3 . 1 1 94 94 SER H H 129 7.992 7.992 7.889 0.103 17578 1598 1 3 . 1 1 95 95 ASN N N 130 120.738 120.738 120.590 0.148 17578 1599 1 3 . 1 1 95 95 ASN C C 130 178.419 178.419 176.267 2.152 17578 1600 1 3 . 1 1 95 95 ASN CA C 130 57.337 57.337 56.226 1.111 17578 1601 1 3 . 1 1 95 95 ASN CB C 130 41.958 41.958 38.645 3.313 17578 1602 1 3 . 1 1 95 95 ASN H H 130 8.313 8.313 8.758 -0.445 17578 1603 1 3 . 1 1 96 96 LYS N N 131 119.159 119.159 116.294 2.865 17578 1604 1 3 . 1 1 96 96 LYS HA H 131 4.021 4.021 4.215 -0.194 17578 1605 1 3 . 1 1 96 96 LYS CA C 131 58.749 58.749 58.217 0.532 17578 1606 1 3 . 1 1 96 96 LYS CB C 131 29.565 29.565 32.291 -2.725 17578 1607 1 3 . 1 1 96 96 LYS H H 131 7.881 7.881 8.020 -0.139 17578 1608 1 3 . 1 1 97 97 LYS N N 132 117.399 117.399 120.472 -3.073 17578 1609 1 3 . 1 1 97 97 LYS CA C 132 58.413 58.413 58.015 0.398 17578 1610 1 3 . 1 1 97 97 LYS CB C 132 30.694 30.694 31.674 -0.980 17578 1611 1 3 . 1 1 97 97 LYS H H 132 7.765 7.765 8.279 -0.514 17578 1612 1 3 . 1 1 98 98 LYS N N 133 119.160 119.160 120.139 -0.979 17578 1613 1 3 . 1 1 98 98 LYS CA C 133 58.266 58.266 59.337 -1.071 17578 1614 1 3 . 1 1 98 98 LYS CB C 133 30.981 30.981 32.579 -1.598 17578 1615 1 3 . 1 1 98 98 LYS H H 133 8.070 8.070 7.858 0.212 17578 1616 1 3 . 1 1 99 99 ASP N N 134 120.602 120.602 115.960 4.642 17578 1617 1 3 . 1 1 99 99 ASP CA C 134 55.586 55.586 53.559 2.027 17578 1618 1 3 . 1 1 99 99 ASP CB C 134 41.898 41.898 41.044 0.855 17578 1619 1 3 . 1 1 99 99 ASP H H 134 8.255 8.255 7.465 0.790 17578 1620 1 3 . 1 1 100 100 GLY N N 135 108.785 108.785 109.905 -1.120 17578 1621 1 3 . 1 1 100 100 GLY CA C 135 45.536 45.536 45.367 0.169 17578 1622 1 3 . 1 1 100 100 GLY H H 135 8.451 8.451 8.058 0.393 17578 1623 1 3 . 1 1 101 101 LYS N N 136 120.171 120.171 120.047 0.124 17578 1624 1 3 . 1 1 101 101 LYS H H 136 8.127 8.127 8.283 -0.156 17578 1625 1 3 . 1 1 102 102 ASN N N 137 118.588 118.588 118.657 -0.069 17578 1626 1 3 . 1 1 102 102 ASN H H 137 8.481 8.481 8.562 -0.081 17578 1627 1 3 . 1 1 103 103 LYS N N 138 121.739 121.739 119.770 1.969 17578 1628 1 3 . 1 1 103 103 LYS HA H 138 4.241 4.241 3.638 0.603 17578 1629 1 3 . 1 1 103 103 LYS CA C 138 56.760 56.760 59.327 -2.567 17578 1630 1 3 . 1 1 103 103 LYS CB C 138 32.691 32.691 31.923 0.768 17578 1631 1 3 . 1 1 103 103 LYS H H 138 8.318 8.318 8.271 0.047 17578 1632 1 3 . 1 1 104 104 GLU N N 139 120.980 120.980 117.092 3.888 17578 1633 1 3 . 1 1 104 104 GLU CA C 139 57.235 57.235 59.724 -2.489 17578 1634 1 3 . 1 1 104 104 GLU CB C 139 29.893 29.893 28.837 1.056 17578 1635 1 3 . 1 1 104 104 GLU H H 139 8.478 8.478 8.798 -0.320 17578 1636 1 3 . 1 1 107 107 TYR N N 142 119.214 119.214 119.043 0.171 17578 1637 1 3 . 1 1 107 107 TYR HA H 142 5.023 5.023 3.660 1.363 17578 1638 1 3 . 1 1 107 107 TYR C C 142 175.419 175.419 177.978 -2.559 17578 1639 1 3 . 1 1 107 107 TYR CA C 142 57.200 57.200 59.572 -2.372 17578 1640 1 3 . 1 1 107 107 TYR CB C 142 39.165 39.165 37.383 1.782 17578 1641 1 3 . 1 1 107 107 TYR H H 142 7.992 7.992 7.913 0.079 17578 1642 1 3 . 1 1 108 108 LYS N N 143 123.500 123.500 118.846 4.654 17578 1643 1 3 . 1 1 108 108 LYS HA H 143 3.628 3.628 4.139 -0.511 17578 1644 1 3 . 1 1 108 108 LYS CA C 143 59.619 59.619 59.444 0.175 17578 1645 1 3 . 1 1 108 108 LYS CB C 143 31.869 31.869 32.144 -0.275 17578 1646 1 3 . 1 1 108 108 LYS H H 143 7.377 7.377 8.393 -1.016 17578 1647 1 3 . 1 1 109 109 GLU N N 144 118.669 118.669 119.329 -0.660 17578 1648 1 3 . 1 1 109 109 GLU HA H 144 4.735 4.735 3.990 0.745 17578 1649 1 3 . 1 1 109 109 GLU CA C 144 59.865 59.865 59.581 0.284 17578 1650 1 3 . 1 1 109 109 GLU CB C 144 29.004 29.004 29.261 -0.257 17578 1651 1 3 . 1 1 109 109 GLU H H 144 8.583 8.583 8.298 0.285 17578 1652 1 3 . 1 1 110 110 SER N N 145 116.081 116.081 115.496 0.585 17578 1653 1 3 . 1 1 110 110 SER HA H 145 4.448 4.448 4.180 0.268 17578 1654 1 3 . 1 1 110 110 SER CB C 145 64.178 64.178 62.984 1.194 17578 1655 1 3 . 1 1 110 110 SER H H 145 8.117 8.117 7.834 0.283 17578 1656 1 3 . 1 1 111 111 PHE N N 146 122.134 122.134 122.147 -0.013 17578 1657 1 3 . 1 1 111 111 PHE HA H 146 4.022 4.022 4.226 -0.204 17578 1658 1 3 . 1 1 111 111 PHE C C 146 175.751 175.751 177.657 -1.906 17578 1659 1 3 . 1 1 111 111 PHE CA C 146 62.159 62.159 60.632 1.527 17578 1660 1 3 . 1 1 111 111 PHE CB C 146 39.533 39.533 37.898 1.635 17578 1661 1 3 . 1 1 111 111 PHE H H 146 8.553 8.553 7.968 0.585 17578 1662 1 3 . 1 1 112 112 ASN N N 147 117.856 117.856 117.494 0.362 17578 1663 1 3 . 1 1 112 112 ASN HA H 147 4.269 4.269 4.400 -0.131 17578 1664 1 3 . 1 1 112 112 ASN CA C 147 55.881 55.881 56.715 -0.834 17578 1665 1 3 . 1 1 112 112 ASN CB C 147 37.663 37.663 38.234 -0.571 17578 1666 1 3 . 1 1 112 112 ASN H H 147 8.809 8.809 8.731 0.078 17578 1667 1 3 . 1 1 113 113 GLU N N 148 119.708 119.708 120.081 -0.373 17578 1668 1 3 . 1 1 113 113 GLU HA H 148 4.021 4.021 4.066 -0.045 17578 1669 1 3 . 1 1 113 113 GLU CA C 148 59.385 59.385 59.368 0.017 17578 1670 1 3 . 1 1 113 113 GLU CB C 148 29.784 29.784 29.414 0.370 17578 1671 1 3 . 1 1 113 113 GLU H H 148 7.778 7.778 7.955 -0.177 17578 1672 1 3 . 1 1 114 114 VAL N N 149 119.680 119.680 119.417 0.263 17578 1673 1 3 . 1 1 114 114 VAL HA H 149 3.556 3.556 4.018 -0.462 17578 1674 1 3 . 1 1 114 114 VAL CA C 149 66.625 66.625 65.795 0.830 17578 1675 1 3 . 1 1 114 114 VAL CB C 149 31.368 31.368 31.285 0.083 17578 1676 1 3 . 1 1 114 114 VAL H H 149 8.023 8.023 8.194 -0.171 17578 1677 1 3 . 1 1 115 115 VAL N N 150 119.684 119.684 116.991 2.693 17578 1678 1 3 . 1 1 115 115 VAL HA H 150 3.163 3.163 3.790 -0.627 17578 1679 1 3 . 1 1 115 115 VAL C C 150 177.270 177.270 178.267 -0.997 17578 1680 1 3 . 1 1 115 115 VAL CA C 150 67.984 67.984 65.457 2.526 17578 1681 1 3 . 1 1 115 115 VAL CB C 150 30.848 30.848 30.535 0.313 17578 1682 1 3 . 1 1 115 115 VAL H H 150 8.480 8.480 8.497 -0.017 17578 1683 1 3 . 1 1 116 116 LYS N N 151 118.648 118.648 120.808 -2.160 17578 1684 1 3 . 1 1 116 116 LYS HA H 151 4.027 4.027 4.059 -0.032 17578 1685 1 3 . 1 1 116 116 LYS CA C 151 59.691 59.691 59.248 0.443 17578 1686 1 3 . 1 1 116 116 LYS CB C 151 32.346 32.346 31.946 0.400 17578 1687 1 3 . 1 1 116 116 LYS H H 151 7.584 7.584 8.056 -0.472 17578 1688 1 3 . 1 1 117 117 GLU N N 152 120.177 120.177 120.608 -0.431 17578 1689 1 3 . 1 1 117 117 GLU HA H 152 4.046 4.046 4.010 0.036 17578 1690 1 3 . 1 1 117 117 GLU CA C 152 59.932 59.932 59.721 0.211 17578 1691 1 3 . 1 1 117 117 GLU CB C 152 29.663 29.663 29.788 -0.125 17578 1692 1 3 . 1 1 117 117 GLU H H 152 7.528 7.528 7.835 -0.307 17578 1693 1 3 . 1 1 118 118 VAL N N 153 120.413 120.413 120.173 0.240 17578 1694 1 3 . 1 1 118 118 VAL HA H 153 3.421 3.421 3.969 -0.548 17578 1695 1 3 . 1 1 118 118 VAL CA C 153 67.196 67.196 65.748 1.448 17578 1696 1 3 . 1 1 118 118 VAL CB C 153 31.600 31.600 32.260 -0.660 17578 1697 1 3 . 1 1 118 118 VAL H H 153 8.665 8.665 8.042 0.623 17578 1698 1 3 . 1 1 119 119 GLN N N 154 118.232 118.232 118.615 -0.383 17578 1699 1 3 . 1 1 119 119 GLN HA H 154 3.982 3.982 4.114 -0.132 17578 1700 1 3 . 1 1 119 119 GLN CA C 154 59.651 59.651 57.738 1.913 17578 1701 1 3 . 1 1 119 119 GLN CB C 154 28.478 28.478 29.162 -0.684 17578 1702 1 3 . 1 1 119 119 GLN H H 154 8.950 8.950 7.977 0.973 17578 1703 1 3 . 1 1 120 120 ALA N N 155 120.568 120.568 122.268 -1.700 17578 1704 1 3 . 1 1 120 120 ALA HA H 155 4.223 4.223 4.266 -0.043 17578 1705 1 3 . 1 1 120 120 ALA CA C 155 55.071 55.071 53.731 1.340 17578 1706 1 3 . 1 1 120 120 ALA CB C 155 17.952 17.952 19.850 -1.898 17578 1707 1 3 . 1 1 120 120 ALA H H 155 7.486 7.486 7.914 -0.428 17578 1708 1 4 . 1 1 2 2 LYS N N 37 124.035 124.035 122.314 1.721 17578 1709 1 4 . 1 1 2 2 LYS HA H 37 4.064 4.064 4.122 -0.058 17578 1710 1 4 . 1 1 2 2 LYS H H 37 7.786 7.786 8.639 -0.853 17578 1711 1 4 . 1 1 3 3 LYS HA H 38 4.026 4.026 4.140 -0.114 17578 1712 1 4 . 1 1 3 3 LYS C C 38 179.176 179.176 178.919 0.257 17578 1713 1 4 . 1 1 3 3 LYS CA C 38 59.781 59.781 58.748 1.033 17578 1714 1 4 . 1 1 3 3 LYS CB C 38 32.626 32.626 31.993 0.633 17578 1715 1 4 . 1 1 4 4 LEU N N 39 122.003 122.003 120.960 1.043 17578 1716 1 4 . 1 1 4 4 LEU HA H 39 4.159 4.159 3.960 0.199 17578 1717 1 4 . 1 1 4 4 LEU C C 39 178.232 178.232 178.206 0.026 17578 1718 1 4 . 1 1 4 4 LEU CA C 39 57.470 57.470 58.405 -0.935 17578 1719 1 4 . 1 1 4 4 LEU CB C 39 40.343 40.343 41.636 -1.293 17578 1720 1 4 . 1 1 4 4 LEU H H 39 7.877 7.877 8.118 -0.241 17578 1721 1 4 . 1 1 5 5 ASN N N 40 118.692 118.692 116.758 1.934 17578 1722 1 4 . 1 1 5 5 ASN HA H 40 3.997 3.997 4.382 -0.385 17578 1723 1 4 . 1 1 5 5 ASN C C 40 176.054 176.054 177.450 -1.396 17578 1724 1 4 . 1 1 5 5 ASN CA C 40 57.622 57.622 56.466 1.156 17578 1725 1 4 . 1 1 5 5 ASN CB C 40 40.113 40.113 38.540 1.573 17578 1726 1 4 . 1 1 5 5 ASN H H 40 9.313 9.313 8.428 0.885 17578 1727 1 4 . 1 1 6 6 LYS N N 41 115.497 115.497 120.566 -5.069 17578 1728 1 4 . 1 1 6 6 LYS HA H 41 3.928 3.928 3.946 -0.018 17578 1729 1 4 . 1 1 6 6 LYS C C 41 179.133 179.133 178.987 0.146 17578 1730 1 4 . 1 1 6 6 LYS CA C 41 59.909 59.909 59.939 -0.030 17578 1731 1 4 . 1 1 6 6 LYS CB C 41 32.256 32.256 32.426 -0.170 17578 1732 1 4 . 1 1 6 6 LYS H H 41 7.230 7.230 7.644 -0.414 17578 1733 1 4 . 1 1 7 7 LYS N N 42 118.961 118.961 119.072 -0.111 17578 1734 1 4 . 1 1 7 7 LYS HA H 42 4.040 4.040 4.027 0.013 17578 1735 1 4 . 1 1 7 7 LYS C C 42 180.272 180.272 179.072 1.200 17578 1736 1 4 . 1 1 7 7 LYS CA C 42 59.988 59.988 59.381 0.607 17578 1737 1 4 . 1 1 7 7 LYS CB C 42 33.462 33.462 32.086 1.376 17578 1738 1 4 . 1 1 7 7 LYS H H 42 7.367 7.367 8.455 -1.088 17578 1739 1 4 . 1 1 8 8 VAL N N 43 122.400 122.400 119.275 3.125 17578 1740 1 4 . 1 1 8 8 VAL HA H 43 3.303 3.303 4.006 -0.703 17578 1741 1 4 . 1 1 8 8 VAL CA C 43 67.430 67.430 66.504 0.926 17578 1742 1 4 . 1 1 8 8 VAL CB C 43 31.374 31.374 31.361 0.013 17578 1743 1 4 . 1 1 8 8 VAL H H 43 9.215 9.215 8.215 1.000 17578 1744 1 4 . 1 1 9 9 LEU N N 44 119.626 119.626 121.503 -1.877 17578 1745 1 4 . 1 1 9 9 LEU HA H 44 3.833 3.833 4.015 -0.182 17578 1746 1 4 . 1 1 9 9 LEU CA C 44 58.453 58.453 58.317 0.136 17578 1747 1 4 . 1 1 9 9 LEU CB C 44 41.171 41.171 41.855 -0.684 17578 1748 1 4 . 1 1 9 9 LEU H H 44 8.471 8.471 8.271 0.200 17578 1749 1 4 . 1 1 10 10 LYS N N 45 119.761 119.761 118.062 1.699 17578 1750 1 4 . 1 1 10 10 LYS HA H 45 4.026 4.026 4.057 -0.031 17578 1751 1 4 . 1 1 10 10 LYS CA C 45 59.919 59.919 59.538 0.381 17578 1752 1 4 . 1 1 10 10 LYS CB C 45 32.430 32.430 31.990 0.440 17578 1753 1 4 . 1 1 10 10 LYS H H 45 7.883 7.883 8.476 -0.593 17578 1754 1 4 . 1 1 11 11 THR N N 46 116.469 116.469 117.958 -1.489 17578 1755 1 4 . 1 1 11 11 THR HA H 46 4.339 4.339 3.929 0.410 17578 1756 1 4 . 1 1 11 11 THR C C 46 175.987 175.987 176.292 -0.305 17578 1757 1 4 . 1 1 11 11 THR CB C 46 68.013 68.013 68.574 -0.561 17578 1758 1 4 . 1 1 11 11 THR H H 46 7.805 7.805 8.020 -0.215 17578 1759 1 4 . 1 1 12 12 VAL N N 47 121.907 121.907 121.762 0.145 17578 1760 1 4 . 1 1 12 12 VAL HA H 47 3.232 3.232 3.977 -0.745 17578 1761 1 4 . 1 1 12 12 VAL CA C 47 67.331 67.331 66.237 1.094 17578 1762 1 4 . 1 1 12 12 VAL CB C 47 31.438 31.438 31.827 -0.389 17578 1763 1 4 . 1 1 12 12 VAL H H 47 8.782 8.782 8.426 0.356 17578 1764 1 4 . 1 1 13 13 LYS N N 48 122.393 122.393 119.652 2.741 17578 1765 1 4 . 1 1 13 13 LYS HA H 48 4.258 4.258 4.035 0.223 17578 1766 1 4 . 1 1 13 13 LYS C C 48 179.808 179.808 178.874 0.934 17578 1767 1 4 . 1 1 13 13 LYS CA C 48 59.999 59.999 59.677 0.322 17578 1768 1 4 . 1 1 13 13 LYS CB C 48 32.553 32.553 32.166 0.387 17578 1769 1 4 . 1 1 13 13 LYS H H 48 8.171 8.171 8.006 0.165 17578 1770 1 4 . 1 1 14 14 LYS N N 49 118.852 118.852 118.922 -0.070 17578 1771 1 4 . 1 1 14 14 LYS HA H 49 3.973 3.973 4.060 -0.087 17578 1772 1 4 . 1 1 14 14 LYS CA C 49 59.811 59.811 58.951 0.860 17578 1773 1 4 . 1 1 14 14 LYS CB C 49 33.389 33.389 32.548 0.841 17578 1774 1 4 . 1 1 14 14 LYS H H 49 7.941 7.941 7.792 0.149 17578 1775 1 4 . 1 1 15 15 ALA N N 50 122.047 122.047 121.799 0.248 17578 1776 1 4 . 1 1 15 15 ALA HA H 50 3.496 3.496 3.787 -0.291 17578 1777 1 4 . 1 1 15 15 ALA CA C 50 54.709 54.709 55.025 -0.316 17578 1778 1 4 . 1 1 15 15 ALA CB C 50 18.917 18.917 18.074 0.843 17578 1779 1 4 . 1 1 15 15 ALA H H 50 8.544 8.544 7.995 0.549 17578 1780 1 4 . 1 1 16 16 SER N N 51 116.561 116.561 113.766 2.795 17578 1781 1 4 . 1 1 16 16 SER HA H 51 4.730 4.730 4.115 0.615 17578 1782 1 4 . 1 1 16 16 SER C C 51 178.560 178.560 176.810 1.750 17578 1783 1 4 . 1 1 16 16 SER CA C 51 61.680 61.680 61.679 0.001 17578 1784 1 4 . 1 1 16 16 SER CB C 51 62.551 62.551 62.865 -0.314 17578 1785 1 4 . 1 1 16 16 SER H H 51 8.551 8.551 8.363 0.188 17578 1786 1 4 . 1 1 17 17 LYS N N 52 124.890 124.890 121.328 3.562 17578 1787 1 4 . 1 1 17 17 LYS HA H 52 4.072 4.072 4.095 -0.023 17578 1788 1 4 . 1 1 17 17 LYS C C 52 177.377 177.377 177.767 -0.390 17578 1789 1 4 . 1 1 17 17 LYS CA C 52 58.931 58.931 58.432 0.499 17578 1790 1 4 . 1 1 17 17 LYS CB C 52 31.961 31.961 32.092 -0.131 17578 1791 1 4 . 1 1 17 17 LYS H H 52 7.578 7.578 7.591 -0.013 17578 1792 1 4 . 1 1 18 18 ALA N N 53 118.628 118.628 119.030 -0.402 17578 1793 1 4 . 1 1 18 18 ALA HA H 53 4.285 4.285 4.267 0.018 17578 1794 1 4 . 1 1 18 18 ALA C C 53 175.061 175.061 176.896 -1.835 17578 1795 1 4 . 1 1 18 18 ALA CA C 53 51.822 51.822 51.597 0.225 17578 1796 1 4 . 1 1 18 18 ALA CB C 53 19.390 19.390 19.054 0.336 17578 1797 1 4 . 1 1 18 18 ALA H H 53 7.112 7.112 7.504 -0.392 17578 1798 1 4 . 1 1 19 19 LYS N N 54 111.984 111.984 117.504 -5.520 17578 1799 1 4 . 1 1 19 19 LYS HA H 54 4.026 4.026 4.018 0.008 17578 1800 1 4 . 1 1 19 19 LYS CA C 54 57.222 57.222 57.059 0.163 17578 1801 1 4 . 1 1 19 19 LYS CB C 54 28.387 28.387 30.492 -2.106 17578 1802 1 4 . 1 1 19 19 LYS H H 54 7.653 7.653 7.904 -0.251 17578 1803 1 4 . 1 1 20 20 ASN N N 55 116.088 116.088 115.068 1.020 17578 1804 1 4 . 1 1 20 20 ASN HA H 55 5.102 5.102 4.706 0.396 17578 1805 1 4 . 1 1 20 20 ASN C C 55 172.975 172.975 173.897 -0.922 17578 1806 1 4 . 1 1 20 20 ASN CA C 55 51.215 51.215 52.652 -1.437 17578 1807 1 4 . 1 1 20 20 ASN CB C 55 40.316 40.316 39.527 0.789 17578 1808 1 4 . 1 1 20 20 ASN H H 55 8.118 8.118 7.690 0.428 17578 1809 1 4 . 1 1 21 21 VAL N N 56 114.959 114.959 112.995 1.964 17578 1810 1 4 . 1 1 21 21 VAL HA H 56 4.938 4.938 4.308 0.630 17578 1811 1 4 . 1 1 21 21 VAL C C 56 175.409 175.409 174.179 1.230 17578 1812 1 4 . 1 1 21 21 VAL CA C 56 60.901 60.901 59.820 1.081 17578 1813 1 4 . 1 1 21 21 VAL CB C 56 35.368 35.368 34.977 0.391 17578 1814 1 4 . 1 1 21 21 VAL H H 56 7.628 7.628 7.365 0.263 17578 1815 1 4 . 1 1 22 22 LYS N N 57 126.485 126.485 122.838 3.647 17578 1816 1 4 . 1 1 22 22 LYS HA H 57 4.712 4.712 4.721 -0.009 17578 1817 1 4 . 1 1 22 22 LYS C C 57 175.394 175.394 174.601 0.793 17578 1818 1 4 . 1 1 22 22 LYS CA C 57 54.485 54.485 53.991 0.494 17578 1819 1 4 . 1 1 22 22 LYS CB C 57 33.669 33.669 37.093 -3.424 17578 1820 1 4 . 1 1 22 22 LYS H H 57 8.987 8.987 8.472 0.515 17578 1821 1 4 . 1 1 23 23 ARG N N 58 122.011 122.011 120.424 1.587 17578 1822 1 4 . 1 1 23 23 ARG HA H 58 4.837 4.837 4.863 -0.026 17578 1823 1 4 . 1 1 23 23 ARG C C 58 175.930 175.930 175.673 0.257 17578 1824 1 4 . 1 1 23 23 ARG CA C 58 55.872 55.872 55.599 0.274 17578 1825 1 4 . 1 1 23 23 ARG CB C 58 33.513 33.513 31.660 1.853 17578 1826 1 4 . 1 1 23 23 ARG H H 58 9.024 9.024 8.563 0.461 17578 1827 1 4 . 1 1 24 24 GLY N N 59 111.007 111.007 111.890 -0.883 17578 1828 1 4 . 1 1 24 24 GLY CA C 59 44.790 44.790 45.202 -0.412 17578 1829 1 4 . 1 1 24 24 GLY H H 59 8.315 8.315 8.644 -0.329 17578 1830 1 4 . 1 1 25 25 VAL N N 60 119.423 119.423 121.246 -1.823 17578 1831 1 4 . 1 1 25 25 VAL HA H 60 3.156 3.156 3.727 -0.571 17578 1832 1 4 . 1 1 25 25 VAL C C 60 176.562 176.562 176.941 -0.379 17578 1833 1 4 . 1 1 25 25 VAL CA C 60 68.037 68.037 65.080 2.957 17578 1834 1 4 . 1 1 25 25 VAL CB C 60 32.050 32.050 32.023 0.027 17578 1835 1 4 . 1 1 25 25 VAL H H 60 8.152 8.152 8.452 -0.300 17578 1836 1 4 . 1 1 26 26 LYS N N 61 117.316 117.316 120.071 -2.755 17578 1837 1 4 . 1 1 26 26 LYS HA H 61 3.919 3.919 4.100 -0.181 17578 1838 1 4 . 1 1 26 26 LYS C C 61 180.130 180.130 178.193 1.937 17578 1839 1 4 . 1 1 26 26 LYS CA C 61 60.157 60.157 58.746 1.411 17578 1840 1 4 . 1 1 26 26 LYS CB C 61 32.041 32.041 31.975 0.066 17578 1841 1 4 . 1 1 26 26 LYS H H 61 8.156 8.156 8.392 -0.236 17578 1842 1 4 . 1 1 27 27 GLU N N 62 117.535 117.535 119.017 -1.482 17578 1843 1 4 . 1 1 27 27 GLU HA H 62 3.961 3.961 4.217 -0.256 17578 1844 1 4 . 1 1 27 27 GLU CA C 62 58.787 58.787 59.308 -0.521 17578 1845 1 4 . 1 1 27 27 GLU CB C 62 29.843 29.843 29.086 0.757 17578 1846 1 4 . 1 1 27 27 GLU H H 62 8.531 8.531 8.029 0.502 17578 1847 1 4 . 1 1 28 28 VAL N N 63 120.589 120.589 117.843 2.746 17578 1848 1 4 . 1 1 28 28 VAL HA H 63 3.498 3.498 3.077 0.421 17578 1849 1 4 . 1 1 28 28 VAL CA C 63 68.099 68.099 65.567 2.532 17578 1850 1 4 . 1 1 28 28 VAL CB C 63 31.376 31.376 30.395 0.980 17578 1851 1 4 . 1 1 28 28 VAL H H 63 8.255 8.255 8.107 0.148 17578 1852 1 4 . 1 1 29 29 VAL N N 64 118.570 118.570 120.582 -2.012 17578 1853 1 4 . 1 1 29 29 VAL HA H 64 3.359 3.359 3.659 -0.300 17578 1854 1 4 . 1 1 29 29 VAL C C 64 177.549 177.549 177.818 -0.269 17578 1855 1 4 . 1 1 29 29 VAL CA C 64 67.456 67.456 66.574 0.882 17578 1856 1 4 . 1 1 29 29 VAL CB C 64 31.233 31.233 30.693 0.540 17578 1857 1 4 . 1 1 29 29 VAL H H 64 8.535 8.535 8.047 0.488 17578 1858 1 4 . 1 1 30 30 LYS N N 65 117.926 117.926 120.670 -2.744 17578 1859 1 4 . 1 1 30 30 LYS HA H 65 3.875 3.875 3.896 -0.021 17578 1860 1 4 . 1 1 30 30 LYS CA C 65 59.811 59.811 59.895 -0.084 17578 1861 1 4 . 1 1 30 30 LYS CB C 65 32.715 32.715 32.365 0.350 17578 1862 1 4 . 1 1 30 30 LYS H H 65 7.538 7.538 7.924 -0.386 17578 1863 1 4 . 1 1 31 31 ALA N N 66 120.475 120.475 120.932 -0.457 17578 1864 1 4 . 1 1 31 31 ALA HA H 66 4.071 4.071 4.168 -0.097 17578 1865 1 4 . 1 1 31 31 ALA C C 66 179.596 179.596 179.488 0.108 17578 1866 1 4 . 1 1 31 31 ALA CA C 66 55.051 55.051 54.694 0.357 17578 1867 1 4 . 1 1 31 31 ALA CB C 66 18.901 18.901 17.985 0.915 17578 1868 1 4 . 1 1 31 31 ALA H H 66 7.496 7.496 7.924 -0.428 17578 1869 1 4 . 1 1 32 32 LEU N N 67 119.357 119.357 120.022 -0.665 17578 1870 1 4 . 1 1 32 32 LEU HA H 67 3.854 3.854 4.153 -0.299 17578 1871 1 4 . 1 1 32 32 LEU CA C 67 57.859 57.859 57.714 0.145 17578 1872 1 4 . 1 1 32 32 LEU CB C 67 42.442 42.442 42.145 0.297 17578 1873 1 4 . 1 1 32 32 LEU H H 67 8.376 8.376 7.777 0.599 17578 1874 1 4 . 1 1 33 33 ARG N N 68 116.045 116.045 117.112 -1.067 17578 1875 1 4 . 1 1 33 33 ARG HA H 68 3.802 3.802 4.157 -0.355 17578 1876 1 4 . 1 1 33 33 ARG CA C 68 59.306 59.306 57.136 2.170 17578 1877 1 4 . 1 1 33 33 ARG CB C 68 29.759 29.759 30.156 -0.397 17578 1878 1 4 . 1 1 33 33 ARG H H 68 8.091 8.091 7.992 0.099 17578 1879 1 4 . 1 1 34 34 LYS N N 69 117.845 117.845 117.696 0.149 17578 1880 1 4 . 1 1 34 34 LYS HA H 69 4.255 4.255 4.177 0.078 17578 1881 1 4 . 1 1 34 34 LYS C C 69 176.831 176.831 177.975 -1.144 17578 1882 1 4 . 1 1 34 34 LYS CA C 69 56.548 56.548 57.518 -0.970 17578 1883 1 4 . 1 1 34 34 LYS CB C 69 32.710 32.710 33.211 -0.501 17578 1884 1 4 . 1 1 34 34 LYS H H 69 7.616 7.616 7.764 -0.148 17578 1885 1 4 . 1 1 35 35 GLY N N 70 106.783 106.783 105.588 1.195 17578 1886 1 4 . 1 1 35 35 GLY CA C 70 45.537 45.537 45.360 0.177 17578 1887 1 4 . 1 1 35 35 GLY H H 70 7.739 7.739 8.567 -0.828 17578 1888 1 4 . 1 1 36 36 GLU N N 71 119.424 119.424 119.302 0.122 17578 1889 1 4 . 1 1 36 36 GLU HA H 71 4.226 4.226 4.276 -0.050 17578 1890 1 4 . 1 1 36 36 GLU C C 71 175.400 175.400 176.520 -1.120 17578 1891 1 4 . 1 1 36 36 GLU CA C 71 57.414 57.414 55.973 1.441 17578 1892 1 4 . 1 1 36 36 GLU CB C 71 29.442 29.442 28.648 0.794 17578 1893 1 4 . 1 1 36 36 GLU H H 71 7.698 7.698 8.696 -0.998 17578 1894 1 4 . 1 1 37 37 LYS N N 72 118.290 118.290 119.712 -1.422 17578 1895 1 4 . 1 1 37 37 LYS HA H 72 4.903 4.903 4.155 0.748 17578 1896 1 4 . 1 1 37 37 LYS C C 72 175.809 175.809 176.749 -0.940 17578 1897 1 4 . 1 1 37 37 LYS CA C 72 53.791 53.791 57.002 -3.211 17578 1898 1 4 . 1 1 37 37 LYS CB C 72 34.781 34.781 31.899 2.881 17578 1899 1 4 . 1 1 37 37 LYS H H 72 8.223 8.223 7.295 0.928 17578 1900 1 4 . 1 1 38 38 GLY N N 73 104.682 104.682 110.196 -5.514 17578 1901 1 4 . 1 1 38 38 GLY C C 73 171.884 171.884 173.685 -1.801 17578 1902 1 4 . 1 1 38 38 GLY CA C 73 46.360 46.360 44.918 1.442 17578 1903 1 4 . 1 1 38 38 GLY H H 73 7.217 7.217 8.395 -1.178 17578 1904 1 4 . 1 1 39 39 LEU N N 74 125.372 125.372 121.387 3.985 17578 1905 1 4 . 1 1 39 39 LEU HA H 74 4.994 4.994 4.760 0.234 17578 1906 1 4 . 1 1 39 39 LEU C C 74 174.380 174.380 176.219 -1.839 17578 1907 1 4 . 1 1 39 39 LEU CA C 74 54.363 54.363 53.178 1.185 17578 1908 1 4 . 1 1 39 39 LEU CB C 74 47.028 47.028 44.667 2.361 17578 1909 1 4 . 1 1 39 39 LEU H H 74 8.945 8.945 8.004 0.941 17578 1910 1 4 . 1 1 40 40 VAL N N 75 130.967 130.967 123.187 7.780 17578 1911 1 4 . 1 1 40 40 VAL HA H 75 4.644 4.644 4.474 0.170 17578 1912 1 4 . 1 1 40 40 VAL C C 75 173.667 173.667 174.877 -1.210 17578 1913 1 4 . 1 1 40 40 VAL CA C 75 62.273 62.273 62.057 0.216 17578 1914 1 4 . 1 1 40 40 VAL CB C 75 32.591 32.591 32.604 -0.013 17578 1915 1 4 . 1 1 40 40 VAL H H 75 8.551 8.551 8.587 -0.036 17578 1916 1 4 . 1 1 41 41 VAL N N 76 127.493 127.493 128.766 -1.273 17578 1917 1 4 . 1 1 41 41 VAL HA H 76 4.660 4.660 4.088 0.572 17578 1918 1 4 . 1 1 41 41 VAL C C 76 173.669 173.669 174.839 -1.170 17578 1919 1 4 . 1 1 41 41 VAL CA C 76 60.899 60.899 62.533 -1.634 17578 1920 1 4 . 1 1 41 41 VAL CB C 76 33.346 33.346 32.271 1.075 17578 1921 1 4 . 1 1 41 41 VAL H H 76 8.804 8.804 8.935 -0.131 17578 1922 1 4 . 1 1 42 42 ILE N N 77 125.646 125.646 127.581 -1.935 17578 1923 1 4 . 1 1 42 42 ILE HA H 77 4.444 4.444 4.441 0.003 17578 1924 1 4 . 1 1 42 42 ILE C C 77 174.817 174.817 174.464 0.353 17578 1925 1 4 . 1 1 42 42 ILE CA C 77 59.700 59.700 58.265 1.435 17578 1926 1 4 . 1 1 42 42 ILE CB C 77 39.977 39.977 39.257 0.720 17578 1927 1 4 . 1 1 42 42 ILE H H 77 8.613 8.613 8.431 0.182 17578 1928 1 4 . 1 1 43 43 ALA N N 78 128.691 128.691 129.929 -1.238 17578 1929 1 4 . 1 1 43 43 ALA HA H 78 4.459 4.459 5.205 -0.746 17578 1930 1 4 . 1 1 43 43 ALA C C 78 177.584 177.584 178.351 -0.767 17578 1931 1 4 . 1 1 43 43 ALA CA C 78 52.372 52.372 50.163 2.209 17578 1932 1 4 . 1 1 43 43 ALA CB C 78 19.504 19.504 19.613 -0.108 17578 1933 1 4 . 1 1 43 43 ALA H H 78 8.565 8.565 8.078 0.487 17578 1934 1 4 . 1 1 44 44 GLY N N 79 103.957 103.957 109.409 -5.452 17578 1935 1 4 . 1 1 44 44 GLY C C 79 173.252 173.252 174.176 -0.924 17578 1936 1 4 . 1 1 44 44 GLY CA C 79 45.764 45.764 46.110 -0.346 17578 1937 1 4 . 1 1 44 44 GLY H H 79 9.083 9.083 8.711 0.372 17578 1938 1 4 . 1 1 45 45 ASP N N 80 118.632 118.632 120.724 -2.092 17578 1939 1 4 . 1 1 45 45 ASP HA H 80 4.918 4.918 4.869 0.049 17578 1940 1 4 . 1 1 45 45 ASP CA C 80 52.689 52.689 53.065 -0.376 17578 1941 1 4 . 1 1 45 45 ASP CB C 80 39.118 39.118 40.867 -1.749 17578 1942 1 4 . 1 1 45 45 ASP H H 80 8.695 8.695 8.053 0.642 17578 1943 1 4 . 1 1 46 46 ILE N N 81 117.935 117.935 118.408 -0.473 17578 1944 1 4 . 1 1 46 46 ILE HA H 81 4.179 4.179 4.060 0.119 17578 1945 1 4 . 1 1 46 46 ILE C C 81 172.890 172.890 173.963 -1.073 17578 1946 1 4 . 1 1 46 46 ILE CA C 81 59.242 59.242 60.027 -0.785 17578 1947 1 4 . 1 1 46 46 ILE CB C 81 39.253 39.253 41.789 -2.536 17578 1948 1 4 . 1 1 46 46 ILE H H 81 6.730 6.730 7.345 -0.615 17578 1949 1 4 . 1 1 47 47 TRP N N 82 123.585 123.585 123.880 -0.295 17578 1950 1 4 . 1 1 47 47 TRP HA H 82 4.587 4.587 5.256 -0.669 17578 1951 1 4 . 1 1 47 47 TRP CA C 82 55.386 55.386 54.523 0.863 17578 1952 1 4 . 1 1 47 47 TRP CB C 82 32.147 32.147 29.412 2.735 17578 1953 1 4 . 1 1 47 47 TRP H H 82 7.804 7.804 7.287 0.517 17578 1954 1 4 . 1 1 48 48 PRO HA H 83 4.248 4.248 4.709 -0.461 17578 1955 1 4 . 1 1 48 48 PRO CA C 83 62.712 62.712 62.448 0.264 17578 1956 1 4 . 1 1 48 48 PRO CB C 83 34.011 34.011 32.662 1.349 17578 1957 1 4 . 1 1 49 49 ALA N N 84 121.827 121.827 120.065 1.762 17578 1958 1 4 . 1 1 49 49 ALA HA H 84 3.969 3.969 4.284 -0.315 17578 1959 1 4 . 1 1 49 49 ALA CA C 84 54.183 54.183 52.810 1.373 17578 1960 1 4 . 1 1 49 49 ALA CB C 84 19.404 19.404 18.579 0.825 17578 1961 1 4 . 1 1 49 49 ALA H H 84 8.198 8.198 8.501 -0.303 17578 1962 1 4 . 1 1 50 50 ASP N N 85 114.049 114.049 120.553 -6.504 17578 1963 1 4 . 1 1 50 50 ASP HA H 85 4.301 4.301 4.424 -0.123 17578 1964 1 4 . 1 1 50 50 ASP C C 85 177.428 177.428 178.302 -0.874 17578 1965 1 4 . 1 1 50 50 ASP CA C 85 55.777 55.777 57.056 -1.279 17578 1966 1 4 . 1 1 50 50 ASP CB C 85 40.060 40.060 40.535 -0.475 17578 1967 1 4 . 1 1 50 50 ASP H H 85 8.008 8.008 8.618 -0.610 17578 1968 1 4 . 1 1 51 51 VAL N N 86 116.790 116.790 120.471 -3.681 17578 1969 1 4 . 1 1 51 51 VAL HA H 86 3.841 3.841 3.715 0.126 17578 1970 1 4 . 1 1 51 51 VAL C C 86 176.231 176.231 177.084 -0.853 17578 1971 1 4 . 1 1 51 51 VAL CA C 86 65.332 65.332 65.341 -0.009 17578 1972 1 4 . 1 1 51 51 VAL CB C 86 32.123 32.123 31.550 0.573 17578 1973 1 4 . 1 1 51 51 VAL H H 86 7.542 7.542 7.575 -0.033 17578 1974 1 4 . 1 1 52 52 ILE N N 87 107.529 107.529 119.475 -11.946 17578 1975 1 4 . 1 1 52 52 ILE HA H 87 4.638 4.638 3.717 0.921 17578 1976 1 4 . 1 1 52 52 ILE C C 87 178.026 178.026 177.531 0.495 17578 1977 1 4 . 1 1 52 52 ILE CA C 87 59.806 59.806 64.615 -4.809 17578 1978 1 4 . 1 1 52 52 ILE CB C 87 40.742 40.742 37.584 3.158 17578 1979 1 4 . 1 1 52 52 ILE H H 87 7.310 7.310 8.363 -1.053 17578 1980 1 4 . 1 1 53 53 SER N N 88 116.004 116.004 114.805 1.199 17578 1981 1 4 . 1 1 53 53 SER HA H 88 4.566 4.566 4.357 0.209 17578 1982 1 4 . 1 1 53 53 SER CA C 88 61.760 61.760 60.983 0.777 17578 1983 1 4 . 1 1 53 53 SER CB C 88 62.391 62.391 63.772 -1.381 17578 1984 1 4 . 1 1 53 53 SER H H 88 7.827 7.827 8.096 -0.269 17578 1985 1 4 . 1 1 54 54 HIS HA H 89 4.572 4.572 4.464 0.108 17578 1986 1 4 . 1 1 54 54 HIS CA C 89 56.789 56.789 59.011 -2.222 17578 1987 1 4 . 1 1 54 54 HIS CB C 89 30.527 30.527 29.925 0.602 17578 1988 1 4 . 1 1 55 55 ILE N N 90 120.579 120.579 121.028 -0.449 17578 1989 1 4 . 1 1 55 55 ILE HA H 90 3.512 3.512 3.902 -0.390 17578 1990 1 4 . 1 1 55 55 ILE CA C 90 65.424 65.424 67.160 -1.736 17578 1991 1 4 . 1 1 55 55 ILE CB C 90 34.176 34.176 35.914 -1.738 17578 1992 1 4 . 1 1 55 55 ILE H H 90 7.764 7.764 8.097 -0.333 17578 1993 1 4 . 1 1 56 56 PRO HA H 91 2.942 2.942 4.373 -1.431 17578 1994 1 4 . 1 1 56 56 PRO C C 91 177.032 177.032 178.831 -1.799 17578 1995 1 4 . 1 1 56 56 PRO CA C 91 66.842 66.842 65.768 1.074 17578 1996 1 4 . 1 1 56 56 PRO CB C 91 31.206 31.206 31.373 -0.167 17578 1997 1 4 . 1 1 57 57 VAL N N 92 114.379 114.379 119.389 -5.010 17578 1998 1 4 . 1 1 57 57 VAL HA H 92 3.574 3.574 3.781 -0.207 17578 1999 1 4 . 1 1 57 57 VAL CA C 92 65.900 65.900 65.732 0.168 17578 2000 1 4 . 1 1 57 57 VAL CB C 92 31.600 31.600 31.396 0.204 17578 2001 1 4 . 1 1 57 57 VAL H H 92 6.497 6.497 7.724 -1.227 17578 2002 1 4 . 1 1 58 58 LEU N N 93 120.522 120.522 119.672 0.850 17578 2003 1 4 . 1 1 58 58 LEU HA H 93 4.227 4.227 4.236 -0.009 17578 2004 1 4 . 1 1 58 58 LEU C C 93 180.251 180.251 178.471 1.780 17578 2005 1 4 . 1 1 58 58 LEU CA C 93 57.838 57.838 58.179 -0.341 17578 2006 1 4 . 1 1 58 58 LEU CB C 93 43.172 43.172 41.415 1.757 17578 2007 1 4 . 1 1 58 58 LEU H H 93 7.460 7.460 7.744 -0.284 17578 2008 1 4 . 1 1 59 59 CYS N N 94 117.195 117.195 118.334 -1.139 17578 2009 1 4 . 1 1 59 59 CYS HA H 94 3.867 3.867 4.306 -0.439 17578 2010 1 4 . 1 1 59 59 CYS C C 94 176.362 176.362 176.620 -0.258 17578 2011 1 4 . 1 1 59 59 CYS CA C 94 65.379 65.379 62.189 3.190 17578 2012 1 4 . 1 1 59 59 CYS CB C 94 26.344 26.344 27.740 -1.396 17578 2013 1 4 . 1 1 59 59 CYS H H 94 8.335 8.335 8.162 0.173 17578 2014 1 4 . 1 1 60 60 GLU N N 95 120.777 120.777 119.321 1.456 17578 2015 1 4 . 1 1 60 60 GLU HA H 95 4.209 4.209 4.126 0.083 17578 2016 1 4 . 1 1 60 60 GLU CA C 95 59.760 59.760 58.731 1.028 17578 2017 1 4 . 1 1 60 60 GLU CB C 95 29.201 29.201 29.755 -0.554 17578 2018 1 4 . 1 1 60 60 GLU H H 95 8.235 8.235 8.213 0.022 17578 2019 1 4 . 1 1 61 61 ASP N N 96 120.910 120.910 118.332 2.578 17578 2020 1 4 . 1 1 61 61 ASP HA H 96 4.292 4.292 4.487 -0.195 17578 2021 1 4 . 1 1 61 61 ASP C C 96 177.890 177.890 177.450 0.440 17578 2022 1 4 . 1 1 61 61 ASP CA C 96 57.235 57.235 56.130 1.105 17578 2023 1 4 . 1 1 61 61 ASP CB C 96 40.580 40.580 41.559 -0.980 17578 2024 1 4 . 1 1 61 61 ASP H H 96 8.509 8.509 7.762 0.747 17578 2025 1 4 . 1 1 62 62 HIS N N 97 115.923 115.923 117.953 -2.030 17578 2026 1 4 . 1 1 62 62 HIS HA H 97 4.495 4.495 4.835 -0.340 17578 2027 1 4 . 1 1 62 62 HIS C C 97 173.548 173.548 174.436 -0.888 17578 2028 1 4 . 1 1 62 62 HIS CA C 97 57.290 57.290 55.676 1.614 17578 2029 1 4 . 1 1 62 62 HIS CB C 97 29.997 29.997 32.034 -2.037 17578 2030 1 4 . 1 1 62 62 HIS H H 97 7.635 7.635 7.958 -0.323 17578 2031 1 4 . 1 1 63 63 SER N N 98 114.634 114.634 114.019 0.615 17578 2032 1 4 . 1 1 63 63 SER HA H 98 4.489 4.489 4.141 0.348 17578 2033 1 4 . 1 1 63 63 SER C C 98 173.949 173.949 172.323 1.626 17578 2034 1 4 . 1 1 63 63 SER CA C 98 58.842 58.842 59.293 -0.451 17578 2035 1 4 . 1 1 63 63 SER CB C 98 61.396 61.396 62.338 -0.942 17578 2036 1 4 . 1 1 63 63 SER H H 98 7.888 7.888 7.948 -0.060 17578 2037 1 4 . 1 1 64 64 VAL N N 99 123.090 123.090 123.977 -0.887 17578 2038 1 4 . 1 1 64 64 VAL HA H 99 4.721 4.721 4.273 0.448 17578 2039 1 4 . 1 1 64 64 VAL CA C 99 58.978 58.978 58.674 0.304 17578 2040 1 4 . 1 1 64 64 VAL CB C 99 35.228 35.228 34.911 0.317 17578 2041 1 4 . 1 1 64 64 VAL H H 99 8.590 8.590 7.837 0.753 17578 2042 1 4 . 1 1 65 65 PRO HA H 100 4.263 4.263 4.071 0.192 17578 2043 1 4 . 1 1 65 65 PRO C C 100 173.191 173.191 175.561 -2.370 17578 2044 1 4 . 1 1 65 65 PRO CA C 100 63.427 63.427 62.542 0.885 17578 2045 1 4 . 1 1 65 65 PRO CB C 100 31.863 31.863 31.933 -0.070 17578 2046 1 4 . 1 1 66 66 TYR N N 101 114.702 114.702 120.020 -5.318 17578 2047 1 4 . 1 1 66 66 TYR HA H 101 5.925 5.925 5.448 0.477 17578 2048 1 4 . 1 1 66 66 TYR CA C 101 53.501 53.501 55.337 -1.836 17578 2049 1 4 . 1 1 66 66 TYR CB C 101 41.793 41.793 41.490 0.303 17578 2050 1 4 . 1 1 66 66 TYR H H 101 6.243 6.243 7.270 -1.027 17578 2051 1 4 . 1 1 67 67 ILE N N 102 111.885 111.885 117.493 -5.608 17578 2052 1 4 . 1 1 67 67 ILE HA H 102 4.502 4.502 4.479 0.023 17578 2053 1 4 . 1 1 67 67 ILE C C 102 172.358 172.358 174.306 -1.948 17578 2054 1 4 . 1 1 67 67 ILE CA C 102 55.442 55.442 60.360 -4.918 17578 2055 1 4 . 1 1 67 67 ILE CB C 102 43.124 43.124 42.727 0.397 17578 2056 1 4 . 1 1 67 67 ILE H H 102 7.986 7.986 8.545 -0.559 17578 2057 1 4 . 1 1 68 68 PHE N N 103 122.274 122.274 127.897 -5.623 17578 2058 1 4 . 1 1 68 68 PHE HA H 103 5.087 5.087 4.857 0.230 17578 2059 1 4 . 1 1 68 68 PHE C C 103 176.173 176.173 174.599 1.574 17578 2060 1 4 . 1 1 68 68 PHE CA C 103 56.103 56.103 57.369 -1.266 17578 2061 1 4 . 1 1 68 68 PHE CB C 103 39.891 39.891 39.669 0.222 17578 2062 1 4 . 1 1 68 68 PHE H H 103 8.108 8.108 8.670 -0.562 17578 2063 1 4 . 1 1 69 69 ILE N N 104 114.613 114.613 122.070 -7.457 17578 2064 1 4 . 1 1 69 69 ILE HA H 104 4.927 4.927 4.654 0.273 17578 2065 1 4 . 1 1 69 69 ILE CA C 104 57.831 57.831 57.639 0.192 17578 2066 1 4 . 1 1 69 69 ILE CB C 104 38.302 38.302 39.528 -1.226 17578 2067 1 4 . 1 1 69 69 ILE H H 104 8.843 8.843 8.237 0.606 17578 2068 1 4 . 1 1 70 70 PRO HA H 105 4.093 4.093 4.473 -0.380 17578 2069 1 4 . 1 1 70 70 PRO CA C 105 66.439 66.439 62.745 3.693 17578 2070 1 4 . 1 1 70 70 PRO CB C 105 32.879 32.879 32.392 0.487 17578 2071 1 4 . 1 1 71 71 SER N N 106 106.896 106.896 110.425 -3.529 17578 2072 1 4 . 1 1 71 71 SER HA H 106 5.227 5.227 4.490 0.737 17578 2073 1 4 . 1 1 71 71 SER CA C 106 55.373 55.373 59.249 -3.876 17578 2074 1 4 . 1 1 71 71 SER CB C 106 64.696 64.696 64.233 0.463 17578 2075 1 4 . 1 1 71 71 SER H H 106 7.548 7.548 8.099 -0.551 17578 2076 1 4 . 1 1 72 72 LYS N N 107 119.881 119.881 122.433 -2.552 17578 2077 1 4 . 1 1 72 72 LYS HA H 107 4.191 4.191 3.756 0.435 17578 2078 1 4 . 1 1 72 72 LYS CA C 107 58.623 58.623 60.753 -2.130 17578 2079 1 4 . 1 1 72 72 LYS CB C 107 30.957 30.957 32.398 -1.441 17578 2080 1 4 . 1 1 72 72 LYS H H 107 8.328 8.328 8.596 -0.268 17578 2081 1 4 . 1 1 73 73 GLN N N 108 123.720 123.720 116.821 6.899 17578 2082 1 4 . 1 1 73 73 GLN HA H 108 4.013 4.013 4.182 -0.169 17578 2083 1 4 . 1 1 73 73 GLN CA C 108 58.621 58.621 59.169 -0.548 17578 2084 1 4 . 1 1 73 73 GLN CB C 108 28.331 28.331 27.844 0.487 17578 2085 1 4 . 1 1 73 73 GLN H H 108 8.543 8.543 8.352 0.191 17578 2086 1 4 . 1 1 74 74 ASP N N 109 121.068 121.068 119.747 1.321 17578 2087 1 4 . 1 1 74 74 ASP HA H 109 4.353 4.353 4.320 0.033 17578 2088 1 4 . 1 1 74 74 ASP CA C 109 56.941 56.941 57.692 -0.751 17578 2089 1 4 . 1 1 74 74 ASP CB C 109 40.403 40.403 40.520 -0.117 17578 2090 1 4 . 1 1 74 74 ASP H H 109 7.998 7.998 8.643 -0.645 17578 2091 1 4 . 1 1 75 75 LEU N N 110 120.670 120.670 119.888 0.782 17578 2092 1 4 . 1 1 75 75 LEU HA H 110 3.967 3.967 4.082 -0.115 17578 2093 1 4 . 1 1 75 75 LEU C C 110 178.753 178.753 179.438 -0.685 17578 2094 1 4 . 1 1 75 75 LEU CA C 110 57.080 57.080 56.931 0.149 17578 2095 1 4 . 1 1 75 75 LEU CB C 110 41.235 41.235 41.883 -0.648 17578 2096 1 4 . 1 1 75 75 LEU H H 110 7.999 7.999 7.691 0.308 17578 2097 1 4 . 1 1 76 76 GLY N N 111 105.512 105.512 106.733 -1.221 17578 2098 1 4 . 1 1 76 76 GLY C C 111 175.517 175.517 174.951 0.566 17578 2099 1 4 . 1 1 76 76 GLY CA C 111 46.745 46.745 47.447 -0.702 17578 2100 1 4 . 1 1 76 76 GLY H H 111 8.012 8.012 8.206 -0.194 17578 2101 1 4 . 1 1 77 77 ALA N N 112 122.891 122.891 123.189 -0.298 17578 2102 1 4 . 1 1 77 77 ALA HA H 112 4.180 4.180 4.407 -0.227 17578 2103 1 4 . 1 1 77 77 ALA CA C 112 53.652 53.652 53.750 -0.098 17578 2104 1 4 . 1 1 77 77 ALA CB C 112 18.482 18.482 18.449 0.033 17578 2105 1 4 . 1 1 77 77 ALA H H 112 7.785 7.785 7.963 -0.178 17578 2106 1 4 . 1 1 78 78 ALA N N 113 121.205 121.205 119.779 1.426 17578 2107 1 4 . 1 1 78 78 ALA HA H 113 4.213 4.213 4.069 0.144 17578 2108 1 4 . 1 1 78 78 ALA CA C 113 53.503 53.503 54.044 -0.541 17578 2109 1 4 . 1 1 78 78 ALA CB C 113 18.897 18.897 19.136 -0.239 17578 2110 1 4 . 1 1 78 78 ALA H H 113 7.787 7.787 7.932 -0.145 17578 2111 1 4 . 1 1 79 79 GLY N N 114 104.082 104.082 102.765 1.317 17578 2112 1 4 . 1 1 79 79 GLY CA C 114 44.764 44.764 44.835 -0.071 17578 2113 1 4 . 1 1 79 79 GLY H H 114 7.756 7.756 7.798 -0.042 17578 2114 1 4 . 1 1 80 80 ALA HA H 115 4.061 4.061 4.092 -0.031 17578 2115 1 4 . 1 1 80 80 ALA CA C 115 53.192 53.192 52.821 0.371 17578 2116 1 4 . 1 1 80 80 ALA CB C 115 19.493 19.493 16.544 2.949 17578 2117 1 4 . 1 1 81 81 THR N N 116 116.258 116.258 111.470 4.788 17578 2118 1 4 . 1 1 81 81 THR CA C 116 57.223 57.223 60.833 -3.610 17578 2119 1 4 . 1 1 81 81 THR CB C 116 64.784 64.784 70.603 -5.819 17578 2120 1 4 . 1 1 81 81 THR H H 116 8.121 8.121 7.738 0.383 17578 2121 1 4 . 1 1 83 83 ARG N N 118 122.269 122.269 121.149 1.120 17578 2122 1 4 . 1 1 83 83 ARG H H 118 8.128 8.128 8.402 -0.274 17578 2123 1 4 . 1 1 85 85 THR N N 120 120.171 120.171 109.787 10.384 17578 2124 1 4 . 1 1 85 85 THR C C 120 172.729 172.729 173.692 -0.963 17578 2125 1 4 . 1 1 85 85 THR H H 120 8.127 8.127 7.987 0.140 17578 2126 1 4 . 1 1 86 86 SER N N 121 115.808 115.808 114.406 1.402 17578 2127 1 4 . 1 1 86 86 SER HA H 121 4.280 4.280 4.515 -0.235 17578 2128 1 4 . 1 1 86 86 SER CA C 121 59.573 59.573 58.908 0.665 17578 2129 1 4 . 1 1 86 86 SER CB C 121 64.384 64.384 64.062 0.322 17578 2130 1 4 . 1 1 86 86 SER H H 121 7.045 7.045 8.204 -1.159 17578 2131 1 4 . 1 1 87 87 VAL N N 122 115.790 115.790 119.831 -4.041 17578 2132 1 4 . 1 1 87 87 VAL HA H 122 5.203 5.203 4.183 1.020 17578 2133 1 4 . 1 1 87 87 VAL CA C 122 59.412 59.412 61.922 -2.510 17578 2134 1 4 . 1 1 87 87 VAL CB C 122 32.729 32.729 31.513 1.216 17578 2135 1 4 . 1 1 87 87 VAL H H 122 7.082 7.082 7.673 -0.591 17578 2136 1 4 . 1 1 88 88 VAL N N 123 119.313 119.313 126.114 -6.801 17578 2137 1 4 . 1 1 88 88 VAL HA H 123 5.097 5.097 4.683 0.414 17578 2138 1 4 . 1 1 88 88 VAL C C 123 172.990 172.990 174.717 -1.727 17578 2139 1 4 . 1 1 88 88 VAL CA C 123 58.925 58.925 60.514 -1.589 17578 2140 1 4 . 1 1 88 88 VAL CB C 123 35.929 35.929 35.273 0.656 17578 2141 1 4 . 1 1 88 88 VAL H H 123 8.948 8.948 8.236 0.712 17578 2142 1 4 . 1 1 89 89 PHE N N 124 122.616 122.616 124.621 -2.005 17578 2143 1 4 . 1 1 89 89 PHE HA H 124 5.641 5.641 5.427 0.214 17578 2144 1 4 . 1 1 89 89 PHE C C 124 174.686 174.686 173.018 1.668 17578 2145 1 4 . 1 1 89 89 PHE CA C 124 52.579 52.579 56.491 -3.912 17578 2146 1 4 . 1 1 89 89 PHE CB C 124 42.392 42.392 42.912 -0.520 17578 2147 1 4 . 1 1 89 89 PHE H H 124 9.065 9.065 9.218 -0.153 17578 2148 1 4 . 1 1 90 90 ILE N N 125 127.599 127.599 121.719 5.880 17578 2149 1 4 . 1 1 90 90 ILE HA H 125 4.268 4.268 4.011 0.258 17578 2150 1 4 . 1 1 90 90 ILE C C 125 173.652 173.652 175.008 -1.356 17578 2151 1 4 . 1 1 90 90 ILE CA C 125 61.605 61.605 58.992 2.613 17578 2152 1 4 . 1 1 90 90 ILE CB C 125 39.533 39.533 38.526 1.007 17578 2153 1 4 . 1 1 90 90 ILE H H 125 9.498 9.498 8.911 0.587 17578 2154 1 4 . 1 1 91 91 VAL N N 126 126.693 126.693 122.304 4.389 17578 2155 1 4 . 1 1 91 91 VAL HA H 126 4.595 4.595 4.742 -0.147 17578 2156 1 4 . 1 1 91 91 VAL CA C 126 58.380 58.380 59.182 -0.802 17578 2157 1 4 . 1 1 91 91 VAL CB C 126 32.597 32.597 33.512 -0.915 17578 2158 1 4 . 1 1 91 91 VAL H H 126 8.169 8.169 8.877 -0.708 17578 2159 1 4 . 1 1 92 92 PRO HA H 127 4.044 4.044 4.456 -0.412 17578 2160 1 4 . 1 1 92 92 PRO CA C 127 63.380 63.380 63.015 0.365 17578 2161 1 4 . 1 1 92 92 PRO CB C 127 31.735 31.735 30.257 1.478 17578 2162 1 4 . 1 1 93 93 GLY N N 128 108.589 108.589 114.838 -6.249 17578 2163 1 4 . 1 1 93 93 GLY CA C 128 45.443 45.443 46.125 -0.682 17578 2164 1 4 . 1 1 93 93 GLY H H 128 8.022 8.022 8.490 -0.468 17578 2165 1 4 . 1 1 94 94 SER N N 129 113.115 113.115 117.779 -4.664 17578 2166 1 4 . 1 1 94 94 SER H H 129 7.992 7.992 8.056 -0.064 17578 2167 1 4 . 1 1 95 95 ASN N N 130 120.738 120.738 123.552 -2.814 17578 2168 1 4 . 1 1 95 95 ASN C C 130 178.419 178.419 176.086 2.333 17578 2169 1 4 . 1 1 95 95 ASN CA C 130 57.337 57.337 56.563 0.774 17578 2170 1 4 . 1 1 95 95 ASN CB C 130 41.958 41.958 38.727 3.231 17578 2171 1 4 . 1 1 95 95 ASN H H 130 8.313 8.313 8.652 -0.339 17578 2172 1 4 . 1 1 96 96 LYS N N 131 119.159 119.159 117.564 1.595 17578 2173 1 4 . 1 1 96 96 LYS HA H 131 4.021 4.021 4.317 -0.296 17578 2174 1 4 . 1 1 96 96 LYS CA C 131 58.749 58.749 57.875 0.874 17578 2175 1 4 . 1 1 96 96 LYS CB C 131 29.565 29.565 32.789 -3.224 17578 2176 1 4 . 1 1 96 96 LYS H H 131 7.881 7.881 8.026 -0.145 17578 2177 1 4 . 1 1 97 97 LYS N N 132 117.399 117.399 119.535 -2.136 17578 2178 1 4 . 1 1 97 97 LYS CA C 132 58.413 58.413 58.683 -0.270 17578 2179 1 4 . 1 1 97 97 LYS CB C 132 30.694 30.694 31.617 -0.923 17578 2180 1 4 . 1 1 97 97 LYS H H 132 7.765 7.765 8.059 -0.294 17578 2181 1 4 . 1 1 98 98 LYS N N 133 119.160 119.160 118.207 0.953 17578 2182 1 4 . 1 1 98 98 LYS CA C 133 58.266 58.266 58.767 -0.501 17578 2183 1 4 . 1 1 98 98 LYS CB C 133 30.981 30.981 32.447 -1.466 17578 2184 1 4 . 1 1 98 98 LYS H H 133 8.070 8.070 7.782 0.288 17578 2185 1 4 . 1 1 99 99 ASP N N 134 120.602 120.602 116.983 3.619 17578 2186 1 4 . 1 1 99 99 ASP CA C 134 55.586 55.586 52.914 2.672 17578 2187 1 4 . 1 1 99 99 ASP CB C 134 41.898 41.898 40.427 1.471 17578 2188 1 4 . 1 1 99 99 ASP H H 134 8.255 8.255 7.771 0.484 17578 2189 1 4 . 1 1 100 100 GLY N N 135 108.785 108.785 108.406 0.379 17578 2190 1 4 . 1 1 100 100 GLY CA C 135 45.536 45.536 44.407 1.129 17578 2191 1 4 . 1 1 100 100 GLY H H 135 8.451 8.451 7.764 0.687 17578 2192 1 4 . 1 1 101 101 LYS N N 136 120.171 120.171 121.016 -0.845 17578 2193 1 4 . 1 1 101 101 LYS H H 136 8.127 8.127 8.377 -0.250 17578 2194 1 4 . 1 1 102 102 ASN N N 137 118.588 118.588 120.270 -1.682 17578 2195 1 4 . 1 1 102 102 ASN H H 137 8.481 8.481 8.276 0.205 17578 2196 1 4 . 1 1 103 103 LYS N N 138 121.739 121.739 119.665 2.074 17578 2197 1 4 . 1 1 103 103 LYS HA H 138 4.241 4.241 4.121 0.120 17578 2198 1 4 . 1 1 103 103 LYS CA C 138 56.760 56.760 58.532 -1.772 17578 2199 1 4 . 1 1 103 103 LYS CB C 138 32.691 32.691 32.262 0.429 17578 2200 1 4 . 1 1 103 103 LYS H H 138 8.318 8.318 8.657 -0.339 17578 2201 1 4 . 1 1 104 104 GLU N N 139 120.980 120.980 120.573 0.407 17578 2202 1 4 . 1 1 104 104 GLU CA C 139 57.235 57.235 59.489 -2.254 17578 2203 1 4 . 1 1 104 104 GLU CB C 139 29.893 29.893 28.961 0.932 17578 2204 1 4 . 1 1 104 104 GLU H H 139 8.478 8.478 8.406 0.072 17578 2205 1 4 . 1 1 107 107 TYR N N 142 119.214 119.214 121.082 -1.868 17578 2206 1 4 . 1 1 107 107 TYR HA H 142 5.023 5.023 3.807 1.216 17578 2207 1 4 . 1 1 107 107 TYR C C 142 175.419 175.419 177.117 -1.698 17578 2208 1 4 . 1 1 107 107 TYR CA C 142 57.200 57.200 61.623 -4.423 17578 2209 1 4 . 1 1 107 107 TYR CB C 142 39.165 39.165 38.147 1.018 17578 2210 1 4 . 1 1 107 107 TYR H H 142 7.992 7.992 8.405 -0.413 17578 2211 1 4 . 1 1 108 108 LYS N N 143 123.500 123.500 118.801 4.699 17578 2212 1 4 . 1 1 108 108 LYS HA H 143 3.628 3.628 3.514 0.114 17578 2213 1 4 . 1 1 108 108 LYS CA C 143 59.619 59.619 59.338 0.281 17578 2214 1 4 . 1 1 108 108 LYS CB C 143 31.869 31.869 32.229 -0.360 17578 2215 1 4 . 1 1 108 108 LYS H H 143 7.377 7.377 8.184 -0.807 17578 2216 1 4 . 1 1 109 109 GLU N N 144 118.669 118.669 119.467 -0.798 17578 2217 1 4 . 1 1 109 109 GLU HA H 144 4.735 4.735 3.948 0.787 17578 2218 1 4 . 1 1 109 109 GLU CA C 144 59.865 59.865 59.784 0.081 17578 2219 1 4 . 1 1 109 109 GLU CB C 144 29.004 29.004 29.415 -0.411 17578 2220 1 4 . 1 1 109 109 GLU H H 144 8.583 8.583 8.081 0.502 17578 2221 1 4 . 1 1 110 110 SER N N 145 116.081 116.081 114.873 1.208 17578 2222 1 4 . 1 1 110 110 SER HA H 145 4.448 4.448 4.240 0.208 17578 2223 1 4 . 1 1 110 110 SER CB C 145 64.178 64.178 63.075 1.103 17578 2224 1 4 . 1 1 110 110 SER H H 145 8.117 8.117 7.918 0.199 17578 2225 1 4 . 1 1 111 111 PHE N N 146 122.134 122.134 121.407 0.727 17578 2226 1 4 . 1 1 111 111 PHE HA H 146 4.022 4.022 4.033 -0.011 17578 2227 1 4 . 1 1 111 111 PHE C C 146 175.751 175.751 177.732 -1.981 17578 2228 1 4 . 1 1 111 111 PHE CA C 146 62.159 62.159 59.916 2.243 17578 2229 1 4 . 1 1 111 111 PHE CB C 146 39.533 39.533 37.869 1.664 17578 2230 1 4 . 1 1 111 111 PHE H H 146 8.553 8.553 7.982 0.571 17578 2231 1 4 . 1 1 112 112 ASN N N 147 117.856 117.856 117.126 0.730 17578 2232 1 4 . 1 1 112 112 ASN HA H 147 4.269 4.269 4.341 -0.072 17578 2233 1 4 . 1 1 112 112 ASN CA C 147 55.881 55.881 56.735 -0.854 17578 2234 1 4 . 1 1 112 112 ASN CB C 147 37.663 37.663 38.430 -0.767 17578 2235 1 4 . 1 1 112 112 ASN H H 147 8.809 8.809 8.616 0.193 17578 2236 1 4 . 1 1 113 113 GLU N N 148 119.708 119.708 119.623 0.085 17578 2237 1 4 . 1 1 113 113 GLU HA H 148 4.021 4.021 3.996 0.025 17578 2238 1 4 . 1 1 113 113 GLU CA C 148 59.385 59.385 59.617 -0.232 17578 2239 1 4 . 1 1 113 113 GLU CB C 148 29.784 29.784 29.640 0.144 17578 2240 1 4 . 1 1 113 113 GLU H H 148 7.778 7.778 7.862 -0.084 17578 2241 1 4 . 1 1 114 114 VAL N N 149 119.680 119.680 119.392 0.288 17578 2242 1 4 . 1 1 114 114 VAL HA H 149 3.556 3.556 3.777 -0.221 17578 2243 1 4 . 1 1 114 114 VAL CA C 149 66.625 66.625 65.713 0.912 17578 2244 1 4 . 1 1 114 114 VAL CB C 149 31.368 31.368 31.306 0.062 17578 2245 1 4 . 1 1 114 114 VAL H H 149 8.023 8.023 8.267 -0.244 17578 2246 1 4 . 1 1 115 115 VAL N N 150 119.684 119.684 116.814 2.870 17578 2247 1 4 . 1 1 115 115 VAL HA H 150 3.163 3.163 3.601 -0.438 17578 2248 1 4 . 1 1 115 115 VAL C C 150 177.270 177.270 178.090 -0.820 17578 2249 1 4 . 1 1 115 115 VAL CA C 150 67.984 67.984 66.151 1.833 17578 2250 1 4 . 1 1 115 115 VAL CB C 150 30.848 30.848 31.286 -0.438 17578 2251 1 4 . 1 1 115 115 VAL H H 150 8.480 8.480 8.516 -0.036 17578 2252 1 4 . 1 1 116 116 LYS N N 151 118.648 118.648 120.060 -1.412 17578 2253 1 4 . 1 1 116 116 LYS HA H 151 4.027 4.027 4.028 -0.001 17578 2254 1 4 . 1 1 116 116 LYS CA C 151 59.691 59.691 58.873 0.818 17578 2255 1 4 . 1 1 116 116 LYS CB C 151 32.346 32.346 31.659 0.687 17578 2256 1 4 . 1 1 116 116 LYS H H 151 7.584 7.584 7.944 -0.360 17578 2257 1 4 . 1 1 117 117 GLU N N 152 120.177 120.177 120.269 -0.092 17578 2258 1 4 . 1 1 117 117 GLU HA H 152 4.046 4.046 3.978 0.068 17578 2259 1 4 . 1 1 117 117 GLU CA C 152 59.932 59.932 59.550 0.382 17578 2260 1 4 . 1 1 117 117 GLU CB C 152 29.663 29.663 29.708 -0.045 17578 2261 1 4 . 1 1 117 117 GLU H H 152 7.528 7.528 7.944 -0.416 17578 2262 1 4 . 1 1 118 118 VAL N N 153 120.413 120.413 119.690 0.723 17578 2263 1 4 . 1 1 118 118 VAL HA H 153 3.421 3.421 3.884 -0.463 17578 2264 1 4 . 1 1 118 118 VAL CA C 153 67.196 67.196 65.408 1.788 17578 2265 1 4 . 1 1 118 118 VAL CB C 153 31.600 31.600 31.757 -0.157 17578 2266 1 4 . 1 1 118 118 VAL H H 153 8.665 8.665 7.966 0.699 17578 2267 1 4 . 1 1 119 119 GLN N N 154 118.232 118.232 119.176 -0.944 17578 2268 1 4 . 1 1 119 119 GLN HA H 154 3.982 3.982 3.996 -0.014 17578 2269 1 4 . 1 1 119 119 GLN CA C 154 59.651 59.651 58.488 1.163 17578 2270 1 4 . 1 1 119 119 GLN CB C 154 28.478 28.478 28.828 -0.350 17578 2271 1 4 . 1 1 119 119 GLN H H 154 8.950 8.950 7.938 1.012 17578 2272 1 4 . 1 1 120 120 ALA N N 155 120.568 120.568 120.678 -0.110 17578 2273 1 4 . 1 1 120 120 ALA HA H 155 4.223 4.223 4.353 -0.130 17578 2274 1 4 . 1 1 120 120 ALA CA C 155 55.071 55.071 52.732 2.339 17578 2275 1 4 . 1 1 120 120 ALA CB C 155 17.952 17.952 19.656 -1.704 17578 2276 1 4 . 1 1 120 120 ALA H H 155 7.486 7.486 7.838 -0.352 17578 2277 1 5 . 1 1 2 2 LYS N N 37 124.035 124.035 122.346 1.689 17578 2278 1 5 . 1 1 2 2 LYS HA H 37 4.064 4.064 4.241 -0.177 17578 2279 1 5 . 1 1 2 2 LYS H H 37 7.786 7.786 8.257 -0.471 17578 2280 1 5 . 1 1 3 3 LYS HA H 38 4.026 4.026 4.109 -0.083 17578 2281 1 5 . 1 1 3 3 LYS C C 38 179.176 179.176 178.548 0.628 17578 2282 1 5 . 1 1 3 3 LYS CA C 38 59.781 59.781 58.822 0.959 17578 2283 1 5 . 1 1 3 3 LYS CB C 38 32.626 32.626 32.148 0.478 17578 2284 1 5 . 1 1 4 4 LEU N N 39 122.003 122.003 118.690 3.313 17578 2285 1 5 . 1 1 4 4 LEU HA H 39 4.159 4.159 3.920 0.239 17578 2286 1 5 . 1 1 4 4 LEU C C 39 178.232 178.232 177.725 0.507 17578 2287 1 5 . 1 1 4 4 LEU CA C 39 57.470 57.470 58.722 -1.252 17578 2288 1 5 . 1 1 4 4 LEU CB C 39 40.343 40.343 41.746 -1.403 17578 2289 1 5 . 1 1 4 4 LEU H H 39 7.877 7.877 8.256 -0.379 17578 2290 1 5 . 1 1 5 5 ASN N N 40 118.692 118.692 117.952 0.740 17578 2291 1 5 . 1 1 5 5 ASN HA H 40 3.997 3.997 4.377 -0.380 17578 2292 1 5 . 1 1 5 5 ASN C C 40 176.054 176.054 177.838 -1.784 17578 2293 1 5 . 1 1 5 5 ASN CA C 40 57.622 57.622 56.325 1.297 17578 2294 1 5 . 1 1 5 5 ASN CB C 40 40.113 40.113 37.914 2.199 17578 2295 1 5 . 1 1 5 5 ASN H H 40 9.313 9.313 7.925 1.388 17578 2296 1 5 . 1 1 6 6 LYS N N 41 115.497 115.497 121.520 -6.023 17578 2297 1 5 . 1 1 6 6 LYS HA H 41 3.928 3.928 3.863 0.065 17578 2298 1 5 . 1 1 6 6 LYS C C 41 179.133 179.133 178.749 0.384 17578 2299 1 5 . 1 1 6 6 LYS CA C 41 59.909 59.909 59.984 -0.075 17578 2300 1 5 . 1 1 6 6 LYS CB C 41 32.256 32.256 32.094 0.162 17578 2301 1 5 . 1 1 6 6 LYS H H 41 7.230 7.230 7.565 -0.335 17578 2302 1 5 . 1 1 7 7 LYS N N 42 118.961 118.961 119.540 -0.579 17578 2303 1 5 . 1 1 7 7 LYS HA H 42 4.040 4.040 3.982 0.058 17578 2304 1 5 . 1 1 7 7 LYS C C 42 180.272 180.272 178.848 1.424 17578 2305 1 5 . 1 1 7 7 LYS CA C 42 59.988 59.988 58.951 1.037 17578 2306 1 5 . 1 1 7 7 LYS CB C 42 33.462 33.462 31.899 1.563 17578 2307 1 5 . 1 1 7 7 LYS H H 42 7.367 7.367 8.092 -0.725 17578 2308 1 5 . 1 1 8 8 VAL N N 43 122.400 122.400 119.146 3.254 17578 2309 1 5 . 1 1 8 8 VAL HA H 43 3.303 3.303 3.847 -0.544 17578 2310 1 5 . 1 1 8 8 VAL CA C 43 67.430 67.430 66.968 0.462 17578 2311 1 5 . 1 1 8 8 VAL CB C 43 31.374 31.374 31.697 -0.323 17578 2312 1 5 . 1 1 8 8 VAL H H 43 9.215 9.215 8.086 1.129 17578 2313 1 5 . 1 1 9 9 LEU N N 44 119.626 119.626 120.821 -1.195 17578 2314 1 5 . 1 1 9 9 LEU HA H 44 3.833 3.833 4.079 -0.246 17578 2315 1 5 . 1 1 9 9 LEU CA C 44 58.453 58.453 57.997 0.456 17578 2316 1 5 . 1 1 9 9 LEU CB C 44 41.171 41.171 41.395 -0.224 17578 2317 1 5 . 1 1 9 9 LEU H H 44 8.471 8.471 8.302 0.169 17578 2318 1 5 . 1 1 10 10 LYS N N 45 119.761 119.761 119.123 0.638 17578 2319 1 5 . 1 1 10 10 LYS HA H 45 4.026 4.026 4.029 -0.003 17578 2320 1 5 . 1 1 10 10 LYS CA C 45 59.919 59.919 58.962 0.957 17578 2321 1 5 . 1 1 10 10 LYS CB C 45 32.430 32.430 31.384 1.046 17578 2322 1 5 . 1 1 10 10 LYS H H 45 7.883 7.883 8.198 -0.315 17578 2323 1 5 . 1 1 11 11 THR N N 46 116.469 116.469 117.267 -0.798 17578 2324 1 5 . 1 1 11 11 THR HA H 46 4.339 4.339 3.390 0.949 17578 2325 1 5 . 1 1 11 11 THR C C 46 175.987 175.987 176.566 -0.579 17578 2326 1 5 . 1 1 11 11 THR CB C 46 68.013 68.013 68.112 -0.099 17578 2327 1 5 . 1 1 11 11 THR H H 46 7.805 7.805 7.952 -0.147 17578 2328 1 5 . 1 1 12 12 VAL N N 47 121.907 121.907 121.332 0.575 17578 2329 1 5 . 1 1 12 12 VAL HA H 47 3.232 3.232 3.894 -0.662 17578 2330 1 5 . 1 1 12 12 VAL CA C 47 67.331 67.331 66.175 1.156 17578 2331 1 5 . 1 1 12 12 VAL CB C 47 31.438 31.438 31.800 -0.362 17578 2332 1 5 . 1 1 12 12 VAL H H 47 8.782 8.782 8.423 0.359 17578 2333 1 5 . 1 1 13 13 LYS N N 48 122.393 122.393 119.673 2.720 17578 2334 1 5 . 1 1 13 13 LYS HA H 48 4.258 4.258 4.041 0.217 17578 2335 1 5 . 1 1 13 13 LYS C C 48 179.808 179.808 178.901 0.907 17578 2336 1 5 . 1 1 13 13 LYS CA C 48 59.999 59.999 59.274 0.725 17578 2337 1 5 . 1 1 13 13 LYS CB C 48 32.553 32.553 32.194 0.359 17578 2338 1 5 . 1 1 13 13 LYS H H 48 8.171 8.171 7.896 0.275 17578 2339 1 5 . 1 1 14 14 LYS N N 49 118.852 118.852 118.936 -0.084 17578 2340 1 5 . 1 1 14 14 LYS HA H 49 3.973 3.973 4.181 -0.208 17578 2341 1 5 . 1 1 14 14 LYS CA C 49 59.811 59.811 58.521 1.290 17578 2342 1 5 . 1 1 14 14 LYS CB C 49 33.389 33.389 32.454 0.935 17578 2343 1 5 . 1 1 14 14 LYS H H 49 7.941 7.941 7.914 0.027 17578 2344 1 5 . 1 1 15 15 ALA N N 50 122.047 122.047 122.773 -0.726 17578 2345 1 5 . 1 1 15 15 ALA HA H 50 3.496 3.496 4.094 -0.598 17578 2346 1 5 . 1 1 15 15 ALA CA C 50 54.709 54.709 55.066 -0.357 17578 2347 1 5 . 1 1 15 15 ALA CB C 50 18.917 18.917 18.013 0.904 17578 2348 1 5 . 1 1 15 15 ALA H H 50 8.544 8.544 8.238 0.306 17578 2349 1 5 . 1 1 16 16 SER N N 51 116.561 116.561 114.422 2.139 17578 2350 1 5 . 1 1 16 16 SER HA H 51 4.730 4.730 4.120 0.610 17578 2351 1 5 . 1 1 16 16 SER C C 51 178.560 178.560 177.040 1.520 17578 2352 1 5 . 1 1 16 16 SER CA C 51 61.680 61.680 61.398 0.283 17578 2353 1 5 . 1 1 16 16 SER CB C 51 62.551 62.551 62.950 -0.399 17578 2354 1 5 . 1 1 16 16 SER H H 51 8.551 8.551 8.254 0.297 17578 2355 1 5 . 1 1 17 17 LYS N N 52 124.890 124.890 121.269 3.621 17578 2356 1 5 . 1 1 17 17 LYS HA H 52 4.072 4.072 4.106 -0.034 17578 2357 1 5 . 1 1 17 17 LYS C C 52 177.377 177.377 177.965 -0.588 17578 2358 1 5 . 1 1 17 17 LYS CA C 52 58.931 58.931 58.684 0.247 17578 2359 1 5 . 1 1 17 17 LYS CB C 52 31.961 31.961 32.401 -0.440 17578 2360 1 5 . 1 1 17 17 LYS H H 52 7.578 7.578 7.737 -0.159 17578 2361 1 5 . 1 1 18 18 ALA N N 53 118.628 118.628 118.589 0.039 17578 2362 1 5 . 1 1 18 18 ALA HA H 53 4.285 4.285 4.305 -0.020 17578 2363 1 5 . 1 1 18 18 ALA C C 53 175.061 175.061 176.642 -1.581 17578 2364 1 5 . 1 1 18 18 ALA CA C 53 51.822 51.822 51.768 0.054 17578 2365 1 5 . 1 1 18 18 ALA CB C 53 19.390 19.390 19.183 0.207 17578 2366 1 5 . 1 1 18 18 ALA H H 53 7.112 7.112 7.573 -0.461 17578 2367 1 5 . 1 1 19 19 LYS N N 54 111.984 111.984 116.538 -4.554 17578 2368 1 5 . 1 1 19 19 LYS HA H 54 4.026 4.026 4.023 0.003 17578 2369 1 5 . 1 1 19 19 LYS CA C 54 57.222 57.222 57.144 0.078 17578 2370 1 5 . 1 1 19 19 LYS CB C 54 28.387 28.387 30.395 -2.008 17578 2371 1 5 . 1 1 19 19 LYS H H 54 7.653 7.653 8.019 -0.366 17578 2372 1 5 . 1 1 20 20 ASN N N 55 116.088 116.088 113.195 2.893 17578 2373 1 5 . 1 1 20 20 ASN HA H 55 5.102 5.102 4.648 0.454 17578 2374 1 5 . 1 1 20 20 ASN C C 55 172.975 172.975 174.650 -1.675 17578 2375 1 5 . 1 1 20 20 ASN CA C 55 51.215 51.215 53.754 -2.539 17578 2376 1 5 . 1 1 20 20 ASN CB C 55 40.316 40.316 39.628 0.688 17578 2377 1 5 . 1 1 20 20 ASN H H 55 8.118 8.118 7.793 0.325 17578 2378 1 5 . 1 1 21 21 VAL N N 56 114.959 114.959 119.963 -5.004 17578 2379 1 5 . 1 1 21 21 VAL HA H 56 4.938 4.938 4.057 0.881 17578 2380 1 5 . 1 1 21 21 VAL C C 56 175.409 175.409 174.922 0.487 17578 2381 1 5 . 1 1 21 21 VAL CA C 56 60.901 60.901 60.446 0.455 17578 2382 1 5 . 1 1 21 21 VAL CB C 56 35.368 35.368 33.420 1.948 17578 2383 1 5 . 1 1 21 21 VAL H H 56 7.628 7.628 7.616 0.012 17578 2384 1 5 . 1 1 22 22 LYS N N 57 126.485 126.485 126.392 0.093 17578 2385 1 5 . 1 1 22 22 LYS HA H 57 4.712 4.712 4.663 0.049 17578 2386 1 5 . 1 1 22 22 LYS C C 57 175.394 175.394 174.497 0.897 17578 2387 1 5 . 1 1 22 22 LYS CA C 57 54.485 54.485 53.840 0.645 17578 2388 1 5 . 1 1 22 22 LYS CB C 57 33.669 33.669 36.116 -2.447 17578 2389 1 5 . 1 1 22 22 LYS H H 57 8.987 8.987 8.603 0.384 17578 2390 1 5 . 1 1 23 23 ARG N N 58 122.011 122.011 120.932 1.079 17578 2391 1 5 . 1 1 23 23 ARG HA H 58 4.837 4.837 4.947 -0.110 17578 2392 1 5 . 1 1 23 23 ARG C C 58 175.930 175.930 176.283 -0.353 17578 2393 1 5 . 1 1 23 23 ARG CA C 58 55.872 55.872 54.797 1.075 17578 2394 1 5 . 1 1 23 23 ARG CB C 58 33.513 33.513 32.710 0.803 17578 2395 1 5 . 1 1 23 23 ARG H H 58 9.024 9.024 8.641 0.383 17578 2396 1 5 . 1 1 24 24 GLY N N 59 111.007 111.007 110.191 0.816 17578 2397 1 5 . 1 1 24 24 GLY CA C 59 44.790 44.790 44.480 0.310 17578 2398 1 5 . 1 1 24 24 GLY H H 59 8.315 8.315 8.927 -0.612 17578 2399 1 5 . 1 1 25 25 VAL N N 60 119.423 119.423 122.731 -3.308 17578 2400 1 5 . 1 1 25 25 VAL HA H 60 3.156 3.156 3.597 -0.441 17578 2401 1 5 . 1 1 25 25 VAL C C 60 176.562 176.562 176.966 -0.404 17578 2402 1 5 . 1 1 25 25 VAL CA C 60 68.037 68.037 65.716 2.321 17578 2403 1 5 . 1 1 25 25 VAL CB C 60 32.050 32.050 31.869 0.181 17578 2404 1 5 . 1 1 25 25 VAL H H 60 8.152 8.152 8.732 -0.580 17578 2405 1 5 . 1 1 26 26 LYS N N 61 117.316 117.316 118.121 -0.805 17578 2406 1 5 . 1 1 26 26 LYS HA H 61 3.919 3.919 4.000 -0.081 17578 2407 1 5 . 1 1 26 26 LYS C C 61 180.130 180.130 178.890 1.240 17578 2408 1 5 . 1 1 26 26 LYS CA C 61 60.157 60.157 59.797 0.360 17578 2409 1 5 . 1 1 26 26 LYS CB C 61 32.041 32.041 32.024 0.017 17578 2410 1 5 . 1 1 26 26 LYS H H 61 8.156 8.156 8.600 -0.444 17578 2411 1 5 . 1 1 27 27 GLU N N 62 117.535 117.535 119.633 -2.098 17578 2412 1 5 . 1 1 27 27 GLU HA H 62 3.961 3.961 4.211 -0.250 17578 2413 1 5 . 1 1 27 27 GLU CA C 62 58.787 58.787 59.121 -0.334 17578 2414 1 5 . 1 1 27 27 GLU CB C 62 29.843 29.843 29.461 0.382 17578 2415 1 5 . 1 1 27 27 GLU H H 62 8.531 8.531 7.705 0.826 17578 2416 1 5 . 1 1 28 28 VAL N N 63 120.589 120.589 118.062 2.527 17578 2417 1 5 . 1 1 28 28 VAL HA H 63 3.498 3.498 2.934 0.564 17578 2418 1 5 . 1 1 28 28 VAL CA C 63 68.099 68.099 65.703 2.396 17578 2419 1 5 . 1 1 28 28 VAL CB C 63 31.376 31.376 30.314 1.062 17578 2420 1 5 . 1 1 28 28 VAL H H 63 8.255 8.255 8.029 0.226 17578 2421 1 5 . 1 1 29 29 VAL N N 64 118.570 118.570 120.354 -1.784 17578 2422 1 5 . 1 1 29 29 VAL HA H 64 3.359 3.359 3.550 -0.191 17578 2423 1 5 . 1 1 29 29 VAL C C 64 177.549 177.549 177.810 -0.261 17578 2424 1 5 . 1 1 29 29 VAL CA C 64 67.456 67.456 66.202 1.254 17578 2425 1 5 . 1 1 29 29 VAL CB C 64 31.233 31.233 30.380 0.853 17578 2426 1 5 . 1 1 29 29 VAL H H 64 8.535 8.535 8.008 0.527 17578 2427 1 5 . 1 1 30 30 LYS N N 65 117.926 117.926 120.741 -2.815 17578 2428 1 5 . 1 1 30 30 LYS HA H 65 3.875 3.875 3.868 0.007 17578 2429 1 5 . 1 1 30 30 LYS CA C 65 59.811 59.811 59.928 -0.117 17578 2430 1 5 . 1 1 30 30 LYS CB C 65 32.715 32.715 32.345 0.370 17578 2431 1 5 . 1 1 30 30 LYS H H 65 7.538 7.538 7.840 -0.302 17578 2432 1 5 . 1 1 31 31 ALA N N 66 120.475 120.475 120.901 -0.426 17578 2433 1 5 . 1 1 31 31 ALA HA H 66 4.071 4.071 4.156 -0.085 17578 2434 1 5 . 1 1 31 31 ALA C C 66 179.596 179.596 179.654 -0.058 17578 2435 1 5 . 1 1 31 31 ALA CA C 66 55.051 55.051 54.700 0.351 17578 2436 1 5 . 1 1 31 31 ALA CB C 66 18.901 18.901 18.032 0.869 17578 2437 1 5 . 1 1 31 31 ALA H H 66 7.496 7.496 7.878 -0.382 17578 2438 1 5 . 1 1 32 32 LEU N N 67 119.357 119.357 120.171 -0.814 17578 2439 1 5 . 1 1 32 32 LEU HA H 67 3.854 3.854 4.031 -0.177 17578 2440 1 5 . 1 1 32 32 LEU CA C 67 57.859 57.859 57.770 0.089 17578 2441 1 5 . 1 1 32 32 LEU CB C 67 42.442 42.442 41.904 0.538 17578 2442 1 5 . 1 1 32 32 LEU H H 67 8.376 8.376 7.761 0.615 17578 2443 1 5 . 1 1 33 33 ARG N N 68 116.045 116.045 117.448 -1.403 17578 2444 1 5 . 1 1 33 33 ARG HA H 68 3.802 3.802 4.007 -0.205 17578 2445 1 5 . 1 1 33 33 ARG CA C 68 59.306 59.306 58.148 1.158 17578 2446 1 5 . 1 1 33 33 ARG CB C 68 29.759 29.759 30.483 -0.724 17578 2447 1 5 . 1 1 33 33 ARG H H 68 8.091 8.091 7.972 0.119 17578 2448 1 5 . 1 1 34 34 LYS N N 69 117.845 117.845 117.169 0.676 17578 2449 1 5 . 1 1 34 34 LYS HA H 69 4.255 4.255 4.160 0.095 17578 2450 1 5 . 1 1 34 34 LYS C C 69 176.831 176.831 177.890 -1.059 17578 2451 1 5 . 1 1 34 34 LYS CA C 69 56.548 56.548 57.617 -1.069 17578 2452 1 5 . 1 1 34 34 LYS CB C 69 32.710 32.710 33.087 -0.376 17578 2453 1 5 . 1 1 34 34 LYS H H 69 7.616 7.616 7.897 -0.281 17578 2454 1 5 . 1 1 35 35 GLY N N 70 106.783 106.783 105.446 1.337 17578 2455 1 5 . 1 1 35 35 GLY CA C 70 45.537 45.537 45.159 0.378 17578 2456 1 5 . 1 1 35 35 GLY H H 70 7.739 7.739 8.413 -0.674 17578 2457 1 5 . 1 1 36 36 GLU N N 71 119.424 119.424 119.408 0.016 17578 2458 1 5 . 1 1 36 36 GLU HA H 71 4.226 4.226 4.239 -0.013 17578 2459 1 5 . 1 1 36 36 GLU C C 71 175.400 175.400 176.014 -0.614 17578 2460 1 5 . 1 1 36 36 GLU CA C 71 57.414 57.414 56.111 1.303 17578 2461 1 5 . 1 1 36 36 GLU CB C 71 29.442 29.442 29.281 0.161 17578 2462 1 5 . 1 1 36 36 GLU H H 71 7.698 7.698 8.431 -0.733 17578 2463 1 5 . 1 1 37 37 LYS N N 72 118.290 118.290 121.413 -3.123 17578 2464 1 5 . 1 1 37 37 LYS HA H 72 4.903 4.903 4.173 0.730 17578 2465 1 5 . 1 1 37 37 LYS C C 72 175.809 175.809 176.211 -0.402 17578 2466 1 5 . 1 1 37 37 LYS CA C 72 53.791 53.791 57.568 -3.776 17578 2467 1 5 . 1 1 37 37 LYS CB C 72 34.781 34.781 32.678 2.103 17578 2468 1 5 . 1 1 37 37 LYS H H 72 8.223 8.223 7.266 0.957 17578 2469 1 5 . 1 1 38 38 GLY N N 73 104.682 104.682 111.831 -7.149 17578 2470 1 5 . 1 1 38 38 GLY C C 73 171.884 171.884 173.865 -1.981 17578 2471 1 5 . 1 1 38 38 GLY CA C 73 46.360 46.360 45.188 1.172 17578 2472 1 5 . 1 1 38 38 GLY H H 73 7.217 7.217 8.349 -1.132 17578 2473 1 5 . 1 1 39 39 LEU N N 74 125.372 125.372 121.385 3.987 17578 2474 1 5 . 1 1 39 39 LEU HA H 74 4.994 4.994 4.760 0.234 17578 2475 1 5 . 1 1 39 39 LEU C C 74 174.380 174.380 175.748 -1.368 17578 2476 1 5 . 1 1 39 39 LEU CA C 74 54.363 54.363 53.504 0.859 17578 2477 1 5 . 1 1 39 39 LEU CB C 74 47.028 47.028 45.164 1.864 17578 2478 1 5 . 1 1 39 39 LEU H H 74 8.945 8.945 8.217 0.728 17578 2479 1 5 . 1 1 40 40 VAL N N 75 130.967 130.967 122.948 8.019 17578 2480 1 5 . 1 1 40 40 VAL HA H 75 4.644 4.644 4.351 0.293 17578 2481 1 5 . 1 1 40 40 VAL C C 75 173.667 173.667 175.391 -1.724 17578 2482 1 5 . 1 1 40 40 VAL CA C 75 62.273 62.273 61.855 0.418 17578 2483 1 5 . 1 1 40 40 VAL CB C 75 32.591 32.591 32.659 -0.068 17578 2484 1 5 . 1 1 40 40 VAL H H 75 8.551 8.551 8.596 -0.045 17578 2485 1 5 . 1 1 41 41 VAL N N 76 127.493 127.493 127.774 -0.281 17578 2486 1 5 . 1 1 41 41 VAL HA H 76 4.660 4.660 4.355 0.305 17578 2487 1 5 . 1 1 41 41 VAL C C 76 173.669 173.669 174.536 -0.867 17578 2488 1 5 . 1 1 41 41 VAL CA C 76 60.899 60.899 61.994 -1.095 17578 2489 1 5 . 1 1 41 41 VAL CB C 76 33.346 33.346 34.481 -1.135 17578 2490 1 5 . 1 1 41 41 VAL H H 76 8.804 8.804 9.234 -0.430 17578 2491 1 5 . 1 1 42 42 ILE N N 77 125.646 125.646 126.351 -0.705 17578 2492 1 5 . 1 1 42 42 ILE HA H 77 4.444 4.444 4.587 -0.143 17578 2493 1 5 . 1 1 42 42 ILE C C 77 174.817 174.817 174.437 0.380 17578 2494 1 5 . 1 1 42 42 ILE CA C 77 59.700 59.700 58.052 1.648 17578 2495 1 5 . 1 1 42 42 ILE CB C 77 39.977 39.977 40.592 -0.615 17578 2496 1 5 . 1 1 42 42 ILE H H 77 8.613 8.613 8.548 0.065 17578 2497 1 5 . 1 1 43 43 ALA N N 78 128.691 128.691 128.123 0.568 17578 2498 1 5 . 1 1 43 43 ALA HA H 78 4.459 4.459 5.120 -0.661 17578 2499 1 5 . 1 1 43 43 ALA C C 78 177.584 177.584 178.303 -0.719 17578 2500 1 5 . 1 1 43 43 ALA CA C 78 52.372 52.372 50.100 2.272 17578 2501 1 5 . 1 1 43 43 ALA CB C 78 19.504 19.504 20.079 -0.575 17578 2502 1 5 . 1 1 43 43 ALA H H 78 8.565 8.565 8.359 0.206 17578 2503 1 5 . 1 1 44 44 GLY N N 79 103.957 103.957 110.330 -6.373 17578 2504 1 5 . 1 1 44 44 GLY C C 79 173.252 173.252 173.846 -0.594 17578 2505 1 5 . 1 1 44 44 GLY CA C 79 45.764 45.764 46.226 -0.462 17578 2506 1 5 . 1 1 44 44 GLY H H 79 9.083 9.083 8.608 0.475 17578 2507 1 5 . 1 1 45 45 ASP N N 80 118.632 118.632 120.511 -1.879 17578 2508 1 5 . 1 1 45 45 ASP HA H 80 4.918 4.918 5.079 -0.161 17578 2509 1 5 . 1 1 45 45 ASP CA C 80 52.689 52.689 53.214 -0.525 17578 2510 1 5 . 1 1 45 45 ASP CB C 80 39.118 39.118 40.830 -1.712 17578 2511 1 5 . 1 1 45 45 ASP H H 80 8.695 8.695 7.941 0.754 17578 2512 1 5 . 1 1 46 46 ILE N N 81 117.935 117.935 119.465 -1.530 17578 2513 1 5 . 1 1 46 46 ILE HA H 81 4.179 4.179 4.614 -0.435 17578 2514 1 5 . 1 1 46 46 ILE C C 81 172.890 172.890 174.608 -1.718 17578 2515 1 5 . 1 1 46 46 ILE CA C 81 59.242 59.242 60.007 -0.765 17578 2516 1 5 . 1 1 46 46 ILE CB C 81 39.253 39.253 41.640 -2.387 17578 2517 1 5 . 1 1 46 46 ILE H H 81 6.730 6.730 7.455 -0.725 17578 2518 1 5 . 1 1 47 47 TRP N N 82 123.585 123.585 125.797 -2.212 17578 2519 1 5 . 1 1 47 47 TRP HA H 82 4.587 4.587 5.102 -0.515 17578 2520 1 5 . 1 1 47 47 TRP CA C 82 55.386 55.386 54.625 0.761 17578 2521 1 5 . 1 1 47 47 TRP CB C 82 32.147 32.147 30.737 1.410 17578 2522 1 5 . 1 1 47 47 TRP H H 82 7.804 7.804 8.501 -0.697 17578 2523 1 5 . 1 1 48 48 PRO HA H 83 4.248 4.248 4.740 -0.492 17578 2524 1 5 . 1 1 48 48 PRO CA C 83 62.712 62.712 62.614 0.098 17578 2525 1 5 . 1 1 48 48 PRO CB C 83 34.011 34.011 32.446 1.565 17578 2526 1 5 . 1 1 49 49 ALA N N 84 121.827 121.827 119.544 2.283 17578 2527 1 5 . 1 1 49 49 ALA HA H 84 3.969 3.969 3.766 0.203 17578 2528 1 5 . 1 1 49 49 ALA CA C 84 54.183 54.183 52.821 1.362 17578 2529 1 5 . 1 1 49 49 ALA CB C 84 19.404 19.404 18.368 1.036 17578 2530 1 5 . 1 1 49 49 ALA H H 84 8.198 8.198 8.286 -0.088 17578 2531 1 5 . 1 1 50 50 ASP N N 85 114.049 114.049 119.987 -5.938 17578 2532 1 5 . 1 1 50 50 ASP HA H 85 4.301 4.301 4.117 0.184 17578 2533 1 5 . 1 1 50 50 ASP C C 85 177.428 177.428 177.969 -0.541 17578 2534 1 5 . 1 1 50 50 ASP CA C 85 55.777 55.777 57.124 -1.347 17578 2535 1 5 . 1 1 50 50 ASP CB C 85 40.060 40.060 39.650 0.410 17578 2536 1 5 . 1 1 50 50 ASP H H 85 8.008 8.008 8.533 -0.525 17578 2537 1 5 . 1 1 51 51 VAL N N 86 116.790 116.790 116.602 0.188 17578 2538 1 5 . 1 1 51 51 VAL HA H 86 3.841 3.841 3.541 0.300 17578 2539 1 5 . 1 1 51 51 VAL C C 86 176.231 176.231 177.466 -1.235 17578 2540 1 5 . 1 1 51 51 VAL CA C 86 65.332 65.332 64.737 0.594 17578 2541 1 5 . 1 1 51 51 VAL CB C 86 32.123 32.123 30.651 1.472 17578 2542 1 5 . 1 1 51 51 VAL H H 86 7.542 7.542 7.084 0.458 17578 2543 1 5 . 1 1 52 52 ILE N N 87 107.529 107.529 117.954 -10.425 17578 2544 1 5 . 1 1 52 52 ILE HA H 87 4.638 4.638 3.659 0.979 17578 2545 1 5 . 1 1 52 52 ILE C C 87 178.026 178.026 177.098 0.928 17578 2546 1 5 . 1 1 52 52 ILE CA C 87 59.806 59.806 63.569 -3.763 17578 2547 1 5 . 1 1 52 52 ILE CB C 87 40.742 40.742 36.239 4.503 17578 2548 1 5 . 1 1 52 52 ILE H H 87 7.310 7.310 7.965 -0.655 17578 2549 1 5 . 1 1 53 53 SER N N 88 116.004 116.004 112.631 3.373 17578 2550 1 5 . 1 1 53 53 SER HA H 88 4.566 4.566 4.322 0.244 17578 2551 1 5 . 1 1 53 53 SER CA C 88 61.760 61.760 59.736 2.024 17578 2552 1 5 . 1 1 53 53 SER CB C 88 62.391 62.391 64.240 -1.849 17578 2553 1 5 . 1 1 53 53 SER H H 88 7.827 7.827 7.791 0.036 17578 2554 1 5 . 1 1 54 54 HIS HA H 89 4.572 4.572 4.381 0.191 17578 2555 1 5 . 1 1 54 54 HIS CA C 89 56.789 56.789 58.121 -1.332 17578 2556 1 5 . 1 1 54 54 HIS CB C 89 30.527 30.527 29.774 0.753 17578 2557 1 5 . 1 1 55 55 ILE N N 90 120.579 120.579 120.253 0.326 17578 2558 1 5 . 1 1 55 55 ILE HA H 90 3.512 3.512 3.673 -0.161 17578 2559 1 5 . 1 1 55 55 ILE CA C 90 65.424 65.424 66.581 -1.157 17578 2560 1 5 . 1 1 55 55 ILE CB C 90 34.176 34.176 34.842 -0.666 17578 2561 1 5 . 1 1 55 55 ILE H H 90 7.764 7.764 7.867 -0.103 17578 2562 1 5 . 1 1 56 56 PRO HA H 91 2.942 2.942 4.405 -1.463 17578 2563 1 5 . 1 1 56 56 PRO C C 91 177.032 177.032 178.964 -1.932 17578 2564 1 5 . 1 1 56 56 PRO CA C 91 66.842 66.842 65.710 1.132 17578 2565 1 5 . 1 1 56 56 PRO CB C 91 31.206 31.206 31.415 -0.209 17578 2566 1 5 . 1 1 57 57 VAL N N 92 114.379 114.379 119.365 -4.986 17578 2567 1 5 . 1 1 57 57 VAL HA H 92 3.574 3.574 3.842 -0.268 17578 2568 1 5 . 1 1 57 57 VAL CA C 92 65.900 65.900 65.493 0.407 17578 2569 1 5 . 1 1 57 57 VAL CB C 92 31.600 31.600 31.479 0.121 17578 2570 1 5 . 1 1 57 57 VAL H H 92 6.497 6.497 7.789 -1.292 17578 2571 1 5 . 1 1 58 58 LEU N N 93 120.522 120.522 119.665 0.857 17578 2572 1 5 . 1 1 58 58 LEU HA H 93 4.227 4.227 4.229 -0.002 17578 2573 1 5 . 1 1 58 58 LEU C C 93 180.251 180.251 178.594 1.657 17578 2574 1 5 . 1 1 58 58 LEU CA C 93 57.838 57.838 58.134 -0.296 17578 2575 1 5 . 1 1 58 58 LEU CB C 93 43.172 43.172 41.316 1.856 17578 2576 1 5 . 1 1 58 58 LEU H H 93 7.460 7.460 7.788 -0.328 17578 2577 1 5 . 1 1 59 59 CYS N N 94 117.195 117.195 118.973 -1.778 17578 2578 1 5 . 1 1 59 59 CYS HA H 94 3.867 3.867 4.403 -0.536 17578 2579 1 5 . 1 1 59 59 CYS C C 94 176.362 176.362 176.786 -0.424 17578 2580 1 5 . 1 1 59 59 CYS CA C 94 65.379 65.379 62.400 2.979 17578 2581 1 5 . 1 1 59 59 CYS CB C 94 26.344 26.344 27.159 -0.815 17578 2582 1 5 . 1 1 59 59 CYS H H 94 8.335 8.335 8.108 0.227 17578 2583 1 5 . 1 1 60 60 GLU N N 95 120.777 120.777 120.124 0.653 17578 2584 1 5 . 1 1 60 60 GLU HA H 95 4.209 4.209 4.231 -0.022 17578 2585 1 5 . 1 1 60 60 GLU CA C 95 59.760 59.760 58.450 1.310 17578 2586 1 5 . 1 1 60 60 GLU CB C 95 29.201 29.201 29.521 -0.320 17578 2587 1 5 . 1 1 60 60 GLU H H 95 8.235 8.235 8.292 -0.057 17578 2588 1 5 . 1 1 61 61 ASP N N 96 120.910 120.910 118.401 2.509 17578 2589 1 5 . 1 1 61 61 ASP HA H 96 4.292 4.292 4.631 -0.339 17578 2590 1 5 . 1 1 61 61 ASP C C 96 177.890 177.890 177.334 0.556 17578 2591 1 5 . 1 1 61 61 ASP CA C 96 57.235 57.235 56.060 1.175 17578 2592 1 5 . 1 1 61 61 ASP CB C 96 40.580 40.580 41.388 -0.808 17578 2593 1 5 . 1 1 61 61 ASP H H 96 8.509 8.509 7.810 0.699 17578 2594 1 5 . 1 1 62 62 HIS N N 97 115.923 115.923 116.824 -0.901 17578 2595 1 5 . 1 1 62 62 HIS HA H 97 4.495 4.495 4.821 -0.326 17578 2596 1 5 . 1 1 62 62 HIS C C 97 173.548 173.548 174.701 -1.153 17578 2597 1 5 . 1 1 62 62 HIS CA C 97 57.290 57.290 55.425 1.865 17578 2598 1 5 . 1 1 62 62 HIS CB C 97 29.997 29.997 32.345 -2.348 17578 2599 1 5 . 1 1 62 62 HIS H H 97 7.635 7.635 7.964 -0.329 17578 2600 1 5 . 1 1 63 63 SER N N 98 114.634 114.634 114.508 0.126 17578 2601 1 5 . 1 1 63 63 SER HA H 98 4.489 4.489 4.223 0.266 17578 2602 1 5 . 1 1 63 63 SER C C 98 173.949 173.949 171.878 2.071 17578 2603 1 5 . 1 1 63 63 SER CA C 98 58.842 58.842 58.522 0.320 17578 2604 1 5 . 1 1 63 63 SER CB C 98 61.396 61.396 62.800 -1.404 17578 2605 1 5 . 1 1 63 63 SER H H 98 7.888 7.888 8.007 -0.119 17578 2606 1 5 . 1 1 64 64 VAL N N 99 123.090 123.090 123.744 -0.654 17578 2607 1 5 . 1 1 64 64 VAL HA H 99 4.721 4.721 4.314 0.407 17578 2608 1 5 . 1 1 64 64 VAL CA C 99 58.978 58.978 58.998 -0.020 17578 2609 1 5 . 1 1 64 64 VAL CB C 99 35.228 35.228 35.570 -0.342 17578 2610 1 5 . 1 1 64 64 VAL H H 99 8.590 8.590 8.134 0.456 17578 2611 1 5 . 1 1 65 65 PRO HA H 100 4.263 4.263 4.067 0.196 17578 2612 1 5 . 1 1 65 65 PRO C C 100 173.191 173.191 175.471 -2.280 17578 2613 1 5 . 1 1 65 65 PRO CA C 100 63.427 63.427 62.574 0.853 17578 2614 1 5 . 1 1 65 65 PRO CB C 100 31.863 31.863 31.874 -0.011 17578 2615 1 5 . 1 1 66 66 TYR N N 101 114.702 114.702 119.983 -5.281 17578 2616 1 5 . 1 1 66 66 TYR HA H 101 5.925 5.925 5.549 0.376 17578 2617 1 5 . 1 1 66 66 TYR CA C 101 53.501 53.501 55.369 -1.868 17578 2618 1 5 . 1 1 66 66 TYR CB C 101 41.793 41.793 41.428 0.364 17578 2619 1 5 . 1 1 66 66 TYR H H 101 6.243 6.243 7.159 -0.916 17578 2620 1 5 . 1 1 67 67 ILE N N 102 111.885 111.885 117.512 -5.627 17578 2621 1 5 . 1 1 67 67 ILE HA H 102 4.502 4.502 4.465 0.037 17578 2622 1 5 . 1 1 67 67 ILE C C 102 172.358 172.358 174.344 -1.986 17578 2623 1 5 . 1 1 67 67 ILE CA C 102 55.442 55.442 60.120 -4.678 17578 2624 1 5 . 1 1 67 67 ILE CB C 102 43.124 43.124 42.626 0.498 17578 2625 1 5 . 1 1 67 67 ILE H H 102 7.986 7.986 8.325 -0.339 17578 2626 1 5 . 1 1 68 68 PHE N N 103 122.274 122.274 127.518 -5.244 17578 2627 1 5 . 1 1 68 68 PHE HA H 103 5.087 5.087 4.892 0.195 17578 2628 1 5 . 1 1 68 68 PHE C C 103 176.173 176.173 174.169 2.004 17578 2629 1 5 . 1 1 68 68 PHE CA C 103 56.103 56.103 57.224 -1.121 17578 2630 1 5 . 1 1 68 68 PHE CB C 103 39.891 39.891 39.844 0.047 17578 2631 1 5 . 1 1 68 68 PHE H H 103 8.108 8.108 8.665 -0.557 17578 2632 1 5 . 1 1 69 69 ILE N N 104 114.613 114.613 122.060 -7.447 17578 2633 1 5 . 1 1 69 69 ILE HA H 104 4.927 4.927 4.689 0.238 17578 2634 1 5 . 1 1 69 69 ILE CA C 104 57.831 57.831 56.968 0.863 17578 2635 1 5 . 1 1 69 69 ILE CB C 104 38.302 38.302 38.924 -0.622 17578 2636 1 5 . 1 1 69 69 ILE H H 104 8.843 8.843 8.362 0.481 17578 2637 1 5 . 1 1 70 70 PRO HA H 105 4.093 4.093 4.467 -0.374 17578 2638 1 5 . 1 1 70 70 PRO CA C 105 66.439 66.439 63.235 3.204 17578 2639 1 5 . 1 1 70 70 PRO CB C 105 32.879 32.879 32.547 0.332 17578 2640 1 5 . 1 1 71 71 SER N N 106 106.896 106.896 111.743 -4.847 17578 2641 1 5 . 1 1 71 71 SER HA H 106 5.227 5.227 4.545 0.682 17578 2642 1 5 . 1 1 71 71 SER CA C 106 55.373 55.373 59.000 -3.627 17578 2643 1 5 . 1 1 71 71 SER CB C 106 64.696 64.696 64.516 0.180 17578 2644 1 5 . 1 1 71 71 SER H H 106 7.548 7.548 8.399 -0.851 17578 2645 1 5 . 1 1 72 72 LYS N N 107 119.881 119.881 122.705 -2.824 17578 2646 1 5 . 1 1 72 72 LYS HA H 107 4.191 4.191 3.901 0.290 17578 2647 1 5 . 1 1 72 72 LYS CA C 107 58.623 58.623 60.191 -1.568 17578 2648 1 5 . 1 1 72 72 LYS CB C 107 30.957 30.957 32.472 -1.516 17578 2649 1 5 . 1 1 72 72 LYS H H 107 8.328 8.328 8.617 -0.289 17578 2650 1 5 . 1 1 73 73 GLN N N 108 123.720 123.720 117.264 6.456 17578 2651 1 5 . 1 1 73 73 GLN HA H 108 4.013 4.013 4.126 -0.113 17578 2652 1 5 . 1 1 73 73 GLN CA C 108 58.621 58.621 58.703 -0.082 17578 2653 1 5 . 1 1 73 73 GLN CB C 108 28.331 28.331 28.114 0.217 17578 2654 1 5 . 1 1 73 73 GLN H H 108 8.543 8.543 8.473 0.070 17578 2655 1 5 . 1 1 74 74 ASP N N 109 121.068 121.068 120.921 0.147 17578 2656 1 5 . 1 1 74 74 ASP HA H 109 4.353 4.353 4.353 0.000 17578 2657 1 5 . 1 1 74 74 ASP CA C 109 56.941 56.941 57.372 -0.431 17578 2658 1 5 . 1 1 74 74 ASP CB C 109 40.403 40.403 40.627 -0.224 17578 2659 1 5 . 1 1 74 74 ASP H H 109 7.998 7.998 8.364 -0.366 17578 2660 1 5 . 1 1 75 75 LEU N N 110 120.670 120.670 119.264 1.406 17578 2661 1 5 . 1 1 75 75 LEU HA H 110 3.967 3.967 4.314 -0.347 17578 2662 1 5 . 1 1 75 75 LEU C C 110 178.753 178.753 179.643 -0.890 17578 2663 1 5 . 1 1 75 75 LEU CA C 110 57.080 57.080 56.565 0.515 17578 2664 1 5 . 1 1 75 75 LEU CB C 110 41.235 41.235 40.807 0.428 17578 2665 1 5 . 1 1 75 75 LEU H H 110 7.999 7.999 7.751 0.248 17578 2666 1 5 . 1 1 76 76 GLY N N 111 105.512 105.512 107.279 -1.767 17578 2667 1 5 . 1 1 76 76 GLY C C 111 175.517 175.517 174.471 1.046 17578 2668 1 5 . 1 1 76 76 GLY CA C 111 46.745 46.745 47.145 -0.400 17578 2669 1 5 . 1 1 76 76 GLY H H 111 8.012 8.012 8.237 -0.225 17578 2670 1 5 . 1 1 77 77 ALA N N 112 122.891 122.891 123.194 -0.303 17578 2671 1 5 . 1 1 77 77 ALA HA H 112 4.180 4.180 4.089 0.091 17578 2672 1 5 . 1 1 77 77 ALA CA C 112 53.652 53.652 54.302 -0.650 17578 2673 1 5 . 1 1 77 77 ALA CB C 112 18.482 18.482 18.910 -0.428 17578 2674 1 5 . 1 1 77 77 ALA H H 112 7.785 7.785 7.554 0.231 17578 2675 1 5 . 1 1 78 78 ALA N N 113 121.205 121.205 118.671 2.534 17578 2676 1 5 . 1 1 78 78 ALA HA H 113 4.213 4.213 4.064 0.149 17578 2677 1 5 . 1 1 78 78 ALA CA C 113 53.503 53.503 54.147 -0.644 17578 2678 1 5 . 1 1 78 78 ALA CB C 113 18.897 18.897 18.855 0.042 17578 2679 1 5 . 1 1 78 78 ALA H H 113 7.787 7.787 7.938 -0.151 17578 2680 1 5 . 1 1 79 79 GLY N N 114 104.082 104.082 103.873 0.209 17578 2681 1 5 . 1 1 79 79 GLY CA C 114 44.764 44.764 44.800 -0.036 17578 2682 1 5 . 1 1 79 79 GLY H H 114 7.756 7.756 7.690 0.066 17578 2683 1 5 . 1 1 80 80 ALA HA H 115 4.061 4.061 4.472 -0.411 17578 2684 1 5 . 1 1 80 80 ALA CA C 115 53.192 53.192 51.881 1.311 17578 2685 1 5 . 1 1 80 80 ALA CB C 115 19.493 19.493 19.929 -0.436 17578 2686 1 5 . 1 1 81 81 THR N N 116 116.258 116.258 115.116 1.142 17578 2687 1 5 . 1 1 81 81 THR CA C 116 57.223 57.223 62.691 -5.468 17578 2688 1 5 . 1 1 81 81 THR CB C 116 64.784 64.784 68.633 -3.849 17578 2689 1 5 . 1 1 81 81 THR H H 116 8.121 8.121 8.198 -0.077 17578 2690 1 5 . 1 1 83 83 ARG N N 118 122.269 122.269 118.981 3.288 17578 2691 1 5 . 1 1 83 83 ARG H H 118 8.128 8.128 8.229 -0.101 17578 2692 1 5 . 1 1 85 85 THR N N 120 120.171 120.171 109.756 10.415 17578 2693 1 5 . 1 1 85 85 THR C C 120 172.729 172.729 173.465 -0.736 17578 2694 1 5 . 1 1 85 85 THR H H 120 8.127 8.127 7.944 0.183 17578 2695 1 5 . 1 1 86 86 SER N N 121 115.808 115.808 116.077 -0.269 17578 2696 1 5 . 1 1 86 86 SER HA H 121 4.280 4.280 4.574 -0.294 17578 2697 1 5 . 1 1 86 86 SER CA C 121 59.573 59.573 58.549 1.024 17578 2698 1 5 . 1 1 86 86 SER CB C 121 64.384 64.384 64.054 0.330 17578 2699 1 5 . 1 1 86 86 SER H H 121 7.045 7.045 8.218 -1.173 17578 2700 1 5 . 1 1 87 87 VAL N N 122 115.790 115.790 119.039 -3.249 17578 2701 1 5 . 1 1 87 87 VAL HA H 122 5.203 5.203 4.510 0.693 17578 2702 1 5 . 1 1 87 87 VAL CA C 122 59.412 59.412 61.855 -2.443 17578 2703 1 5 . 1 1 87 87 VAL CB C 122 32.729 32.729 32.394 0.335 17578 2704 1 5 . 1 1 87 87 VAL H H 122 7.082 7.082 7.853 -0.771 17578 2705 1 5 . 1 1 88 88 VAL N N 123 119.313 119.313 127.290 -7.977 17578 2706 1 5 . 1 1 88 88 VAL HA H 123 5.097 5.097 5.032 0.065 17578 2707 1 5 . 1 1 88 88 VAL C C 123 172.990 172.990 173.458 -0.468 17578 2708 1 5 . 1 1 88 88 VAL CA C 123 58.925 58.925 59.347 -0.422 17578 2709 1 5 . 1 1 88 88 VAL CB C 123 35.929 35.929 36.093 -0.164 17578 2710 1 5 . 1 1 88 88 VAL H H 123 8.948 8.948 8.417 0.531 17578 2711 1 5 . 1 1 89 89 PHE N N 124 122.616 122.616 126.529 -3.913 17578 2712 1 5 . 1 1 89 89 PHE HA H 124 5.641 5.641 5.453 0.188 17578 2713 1 5 . 1 1 89 89 PHE C C 124 174.686 174.686 172.992 1.694 17578 2714 1 5 . 1 1 89 89 PHE CA C 124 52.579 52.579 55.086 -2.507 17578 2715 1 5 . 1 1 89 89 PHE CB C 124 42.392 42.392 42.691 -0.299 17578 2716 1 5 . 1 1 89 89 PHE H H 124 9.065 9.065 9.372 -0.307 17578 2717 1 5 . 1 1 90 90 ILE N N 125 127.599 127.599 122.713 4.886 17578 2718 1 5 . 1 1 90 90 ILE HA H 125 4.268 4.268 4.247 0.021 17578 2719 1 5 . 1 1 90 90 ILE C C 125 173.652 173.652 175.075 -1.423 17578 2720 1 5 . 1 1 90 90 ILE CA C 125 61.605 61.605 60.128 1.477 17578 2721 1 5 . 1 1 90 90 ILE CB C 125 39.533 39.533 38.681 0.852 17578 2722 1 5 . 1 1 90 90 ILE H H 125 9.498 9.498 8.967 0.531 17578 2723 1 5 . 1 1 91 91 VAL N N 126 126.693 126.693 125.813 0.880 17578 2724 1 5 . 1 1 91 91 VAL HA H 126 4.595 4.595 4.699 -0.104 17578 2725 1 5 . 1 1 91 91 VAL CA C 126 58.380 58.380 58.849 -0.469 17578 2726 1 5 . 1 1 91 91 VAL CB C 126 32.597 32.597 32.607 -0.010 17578 2727 1 5 . 1 1 91 91 VAL H H 126 8.169 8.169 8.507 -0.338 17578 2728 1 5 . 1 1 92 92 PRO HA H 127 4.044 4.044 4.406 -0.362 17578 2729 1 5 . 1 1 92 92 PRO CA C 127 63.380 63.380 62.808 0.572 17578 2730 1 5 . 1 1 92 92 PRO CB C 127 31.735 31.735 29.942 1.794 17578 2731 1 5 . 1 1 93 93 GLY N N 128 108.589 108.589 112.908 -4.319 17578 2732 1 5 . 1 1 93 93 GLY CA C 128 45.443 45.443 45.858 -0.415 17578 2733 1 5 . 1 1 93 93 GLY H H 128 8.022 8.022 8.709 -0.687 17578 2734 1 5 . 1 1 94 94 SER N N 129 113.115 113.115 114.923 -1.808 17578 2735 1 5 . 1 1 94 94 SER H H 129 7.992 7.992 8.049 -0.057 17578 2736 1 5 . 1 1 95 95 ASN N N 130 120.738 120.738 118.645 2.093 17578 2737 1 5 . 1 1 95 95 ASN C C 130 178.419 178.419 177.259 1.160 17578 2738 1 5 . 1 1 95 95 ASN CA C 130 57.337 57.337 56.595 0.742 17578 2739 1 5 . 1 1 95 95 ASN CB C 130 41.958 41.958 38.197 3.761 17578 2740 1 5 . 1 1 95 95 ASN H H 130 8.313 8.313 8.856 -0.543 17578 2741 1 5 . 1 1 96 96 LYS N N 131 119.159 119.159 120.844 -1.685 17578 2742 1 5 . 1 1 96 96 LYS HA H 131 4.021 4.021 4.297 -0.276 17578 2743 1 5 . 1 1 96 96 LYS CA C 131 58.749 58.749 58.950 -0.201 17578 2744 1 5 . 1 1 96 96 LYS CB C 131 29.565 29.565 32.294 -2.729 17578 2745 1 5 . 1 1 96 96 LYS H H 131 7.881 7.881 8.109 -0.228 17578 2746 1 5 . 1 1 97 97 LYS N N 132 117.399 117.399 119.296 -1.897 17578 2747 1 5 . 1 1 97 97 LYS CA C 132 58.413 58.413 58.891 -0.478 17578 2748 1 5 . 1 1 97 97 LYS CB C 132 30.694 30.694 31.618 -0.924 17578 2749 1 5 . 1 1 97 97 LYS H H 132 7.765 7.765 8.375 -0.610 17578 2750 1 5 . 1 1 98 98 LYS N N 133 119.160 119.160 118.378 0.782 17578 2751 1 5 . 1 1 98 98 LYS CA C 133 58.266 58.266 58.399 -0.133 17578 2752 1 5 . 1 1 98 98 LYS CB C 133 30.981 30.981 32.119 -1.138 17578 2753 1 5 . 1 1 98 98 LYS H H 133 8.070 8.070 7.914 0.156 17578 2754 1 5 . 1 1 99 99 ASP N N 134 120.602 120.602 118.855 1.747 17578 2755 1 5 . 1 1 99 99 ASP CA C 134 55.586 55.586 56.196 -0.610 17578 2756 1 5 . 1 1 99 99 ASP CB C 134 41.898 41.898 41.641 0.257 17578 2757 1 5 . 1 1 99 99 ASP H H 134 8.255 8.255 7.794 0.461 17578 2758 1 5 . 1 1 100 100 GLY N N 135 108.785 108.785 107.147 1.638 17578 2759 1 5 . 1 1 100 100 GLY CA C 135 45.536 45.536 44.537 0.999 17578 2760 1 5 . 1 1 100 100 GLY H H 135 8.451 8.451 7.760 0.691 17578 2761 1 5 . 1 1 101 101 LYS N N 136 120.171 120.171 118.360 1.811 17578 2762 1 5 . 1 1 101 101 LYS H H 136 8.127 8.127 8.003 0.124 17578 2763 1 5 . 1 1 102 102 ASN N N 137 118.588 118.588 119.179 -0.591 17578 2764 1 5 . 1 1 102 102 ASN H H 137 8.481 8.481 8.809 -0.328 17578 2765 1 5 . 1 1 103 103 LYS N N 138 121.739 121.739 117.633 4.106 17578 2766 1 5 . 1 1 103 103 LYS HA H 138 4.241 4.241 4.002 0.239 17578 2767 1 5 . 1 1 103 103 LYS CA C 138 56.760 56.760 58.205 -1.444 17578 2768 1 5 . 1 1 103 103 LYS CB C 138 32.691 32.691 31.998 0.693 17578 2769 1 5 . 1 1 103 103 LYS H H 138 8.318 8.318 7.983 0.335 17578 2770 1 5 . 1 1 104 104 GLU N N 139 120.980 120.980 118.920 2.060 17578 2771 1 5 . 1 1 104 104 GLU CA C 139 57.235 57.235 59.489 -2.254 17578 2772 1 5 . 1 1 104 104 GLU CB C 139 29.893 29.893 28.766 1.127 17578 2773 1 5 . 1 1 104 104 GLU H H 139 8.478 8.478 8.649 -0.171 17578 2774 1 5 . 1 1 107 107 TYR N N 142 119.214 119.214 119.348 -0.134 17578 2775 1 5 . 1 1 107 107 TYR HA H 142 5.023 5.023 3.996 1.027 17578 2776 1 5 . 1 1 107 107 TYR C C 142 175.419 175.419 178.183 -2.764 17578 2777 1 5 . 1 1 107 107 TYR CA C 142 57.200 57.200 60.035 -2.835 17578 2778 1 5 . 1 1 107 107 TYR CB C 142 39.165 39.165 37.618 1.547 17578 2779 1 5 . 1 1 107 107 TYR H H 142 7.992 7.992 8.363 -0.371 17578 2780 1 5 . 1 1 108 108 LYS N N 143 123.500 123.500 119.392 4.108 17578 2781 1 5 . 1 1 108 108 LYS HA H 143 3.628 3.628 3.847 -0.219 17578 2782 1 5 . 1 1 108 108 LYS CA C 143 59.619 59.619 59.919 -0.300 17578 2783 1 5 . 1 1 108 108 LYS CB C 143 31.869 31.869 32.189 -0.320 17578 2784 1 5 . 1 1 108 108 LYS H H 143 7.377 7.377 8.192 -0.815 17578 2785 1 5 . 1 1 109 109 GLU N N 144 118.669 118.669 119.195 -0.526 17578 2786 1 5 . 1 1 109 109 GLU HA H 144 4.735 4.735 3.989 0.746 17578 2787 1 5 . 1 1 109 109 GLU CA C 144 59.865 59.865 59.768 0.097 17578 2788 1 5 . 1 1 109 109 GLU CB C 144 29.004 29.004 29.495 -0.491 17578 2789 1 5 . 1 1 109 109 GLU H H 144 8.583 8.583 8.152 0.431 17578 2790 1 5 . 1 1 110 110 SER N N 145 116.081 116.081 115.227 0.854 17578 2791 1 5 . 1 1 110 110 SER HA H 145 4.448 4.448 4.265 0.183 17578 2792 1 5 . 1 1 110 110 SER CB C 145 64.178 64.178 62.911 1.267 17578 2793 1 5 . 1 1 110 110 SER H H 145 8.117 8.117 8.036 0.081 17578 2794 1 5 . 1 1 111 111 PHE N N 146 122.134 122.134 122.928 -0.794 17578 2795 1 5 . 1 1 111 111 PHE HA H 146 4.022 4.022 4.148 -0.126 17578 2796 1 5 . 1 1 111 111 PHE C C 146 175.751 175.751 177.711 -1.960 17578 2797 1 5 . 1 1 111 111 PHE CA C 146 62.159 62.159 59.905 2.254 17578 2798 1 5 . 1 1 111 111 PHE CB C 146 39.533 39.533 38.260 1.273 17578 2799 1 5 . 1 1 111 111 PHE H H 146 8.553 8.553 8.177 0.376 17578 2800 1 5 . 1 1 112 112 ASN N N 147 117.856 117.856 117.403 0.453 17578 2801 1 5 . 1 1 112 112 ASN HA H 147 4.269 4.269 4.371 -0.102 17578 2802 1 5 . 1 1 112 112 ASN CA C 147 55.881 55.881 56.560 -0.679 17578 2803 1 5 . 1 1 112 112 ASN CB C 147 37.663 37.663 38.127 -0.464 17578 2804 1 5 . 1 1 112 112 ASN H H 147 8.809 8.809 8.834 -0.025 17578 2805 1 5 . 1 1 113 113 GLU N N 148 119.708 119.708 120.644 -0.936 17578 2806 1 5 . 1 1 113 113 GLU HA H 148 4.021 4.021 4.040 -0.019 17578 2807 1 5 . 1 1 113 113 GLU CA C 148 59.385 59.385 59.616 -0.231 17578 2808 1 5 . 1 1 113 113 GLU CB C 148 29.784 29.784 29.802 -0.018 17578 2809 1 5 . 1 1 113 113 GLU H H 148 7.778 7.778 7.949 -0.171 17578 2810 1 5 . 1 1 114 114 VAL N N 149 119.680 119.680 119.626 0.054 17578 2811 1 5 . 1 1 114 114 VAL HA H 149 3.556 3.556 3.728 -0.172 17578 2812 1 5 . 1 1 114 114 VAL CA C 149 66.625 66.625 66.834 -0.209 17578 2813 1 5 . 1 1 114 114 VAL CB C 149 31.368 31.368 31.739 -0.371 17578 2814 1 5 . 1 1 114 114 VAL H H 149 8.023 8.023 8.165 -0.141 17578 2815 1 5 . 1 1 115 115 VAL N N 150 119.684 119.684 115.785 3.899 17578 2816 1 5 . 1 1 115 115 VAL HA H 150 3.163 3.163 3.623 -0.460 17578 2817 1 5 . 1 1 115 115 VAL C C 150 177.270 177.270 178.172 -0.902 17578 2818 1 5 . 1 1 115 115 VAL CA C 150 67.984 67.984 66.030 1.954 17578 2819 1 5 . 1 1 115 115 VAL CB C 150 30.848 30.848 31.055 -0.207 17578 2820 1 5 . 1 1 115 115 VAL H H 150 8.480 8.480 8.620 -0.140 17578 2821 1 5 . 1 1 116 116 LYS N N 151 118.648 118.648 120.810 -2.162 17578 2822 1 5 . 1 1 116 116 LYS HA H 151 4.027 4.027 4.040 -0.013 17578 2823 1 5 . 1 1 116 116 LYS CA C 151 59.691 59.691 58.969 0.722 17578 2824 1 5 . 1 1 116 116 LYS CB C 151 32.346 32.346 31.784 0.562 17578 2825 1 5 . 1 1 116 116 LYS H H 151 7.584 7.584 7.868 -0.284 17578 2826 1 5 . 1 1 117 117 GLU N N 152 120.177 120.177 120.393 -0.216 17578 2827 1 5 . 1 1 117 117 GLU HA H 152 4.046 4.046 4.071 -0.025 17578 2828 1 5 . 1 1 117 117 GLU CA C 152 59.932 59.932 59.239 0.693 17578 2829 1 5 . 1 1 117 117 GLU CB C 152 29.663 29.663 28.930 0.733 17578 2830 1 5 . 1 1 117 117 GLU H H 152 7.528 7.528 8.102 -0.574 17578 2831 1 5 . 1 1 118 118 VAL N N 153 120.413 120.413 118.838 1.575 17578 2832 1 5 . 1 1 118 118 VAL HA H 153 3.421 3.421 3.888 -0.467 17578 2833 1 5 . 1 1 118 118 VAL CA C 153 67.196 67.196 64.803 2.393 17578 2834 1 5 . 1 1 118 118 VAL CB C 153 31.600 31.600 31.905 -0.305 17578 2835 1 5 . 1 1 118 118 VAL H H 153 8.665 8.665 7.958 0.707 17578 2836 1 5 . 1 1 119 119 GLN N N 154 118.232 118.232 119.044 -0.812 17578 2837 1 5 . 1 1 119 119 GLN HA H 154 3.982 3.982 3.972 0.010 17578 2838 1 5 . 1 1 119 119 GLN CA C 154 59.651 59.651 58.292 1.359 17578 2839 1 5 . 1 1 119 119 GLN CB C 154 28.478 28.478 29.033 -0.555 17578 2840 1 5 . 1 1 119 119 GLN H H 154 8.950 8.950 7.875 1.075 17578 2841 1 5 . 1 1 120 120 ALA N N 155 120.568 120.568 120.189 0.379 17578 2842 1 5 . 1 1 120 120 ALA HA H 155 4.223 4.223 4.276 -0.053 17578 2843 1 5 . 1 1 120 120 ALA CA C 155 55.071 55.071 52.466 2.605 17578 2844 1 5 . 1 1 120 120 ALA CB C 155 17.952 17.952 20.113 -2.160 17578 2845 1 5 . 1 1 120 120 ALA H H 155 7.486 7.486 8.182 -0.696 17578 2846 1 6 . 1 1 2 2 LYS N N 37 124.035 124.035 122.633 1.402 17578 2847 1 6 . 1 1 2 2 LYS HA H 37 4.064 4.064 4.282 -0.218 17578 2848 1 6 . 1 1 2 2 LYS H H 37 7.786 7.786 8.293 -0.507 17578 2849 1 6 . 1 1 3 3 LYS HA H 38 4.026 4.026 4.150 -0.124 17578 2850 1 6 . 1 1 3 3 LYS C C 38 179.176 179.176 178.291 0.885 17578 2851 1 6 . 1 1 3 3 LYS CA C 38 59.781 59.781 58.681 1.100 17578 2852 1 6 . 1 1 3 3 LYS CB C 38 32.626 32.626 31.892 0.734 17578 2853 1 6 . 1 1 4 4 LEU N N 39 122.003 122.003 120.356 1.647 17578 2854 1 6 . 1 1 4 4 LEU HA H 39 4.159 4.159 3.937 0.222 17578 2855 1 6 . 1 1 4 4 LEU C C 39 178.232 178.232 178.553 -0.321 17578 2856 1 6 . 1 1 4 4 LEU CA C 39 57.470 57.470 58.939 -1.469 17578 2857 1 6 . 1 1 4 4 LEU CB C 39 40.343 40.343 41.285 -0.942 17578 2858 1 6 . 1 1 4 4 LEU H H 39 7.877 7.877 8.168 -0.291 17578 2859 1 6 . 1 1 5 5 ASN N N 40 118.692 118.692 116.130 2.562 17578 2860 1 6 . 1 1 5 5 ASN HA H 40 3.997 3.997 4.293 -0.296 17578 2861 1 6 . 1 1 5 5 ASN C C 40 176.054 176.054 177.280 -1.226 17578 2862 1 6 . 1 1 5 5 ASN CA C 40 57.622 57.622 56.628 0.994 17578 2863 1 6 . 1 1 5 5 ASN CB C 40 40.113 40.113 38.328 1.784 17578 2864 1 6 . 1 1 5 5 ASN H H 40 9.313 9.313 8.165 1.148 17578 2865 1 6 . 1 1 6 6 LYS N N 41 115.497 115.497 120.385 -4.888 17578 2866 1 6 . 1 1 6 6 LYS HA H 41 3.928 3.928 3.836 0.092 17578 2867 1 6 . 1 1 6 6 LYS C C 41 179.133 179.133 179.014 0.119 17578 2868 1 6 . 1 1 6 6 LYS CA C 41 59.909 59.909 59.842 0.068 17578 2869 1 6 . 1 1 6 6 LYS CB C 41 32.256 32.256 32.291 -0.035 17578 2870 1 6 . 1 1 6 6 LYS H H 41 7.230 7.230 7.607 -0.377 17578 2871 1 6 . 1 1 7 7 LYS N N 42 118.961 118.961 118.825 0.136 17578 2872 1 6 . 1 1 7 7 LYS HA H 42 4.040 4.040 4.018 0.022 17578 2873 1 6 . 1 1 7 7 LYS C C 42 180.272 180.272 179.466 0.806 17578 2874 1 6 . 1 1 7 7 LYS CA C 42 59.988 59.988 59.249 0.739 17578 2875 1 6 . 1 1 7 7 LYS CB C 42 33.462 33.462 32.185 1.277 17578 2876 1 6 . 1 1 7 7 LYS H H 42 7.367 7.367 8.118 -0.751 17578 2877 1 6 . 1 1 8 8 VAL N N 43 122.400 122.400 120.028 2.372 17578 2878 1 6 . 1 1 8 8 VAL HA H 43 3.303 3.303 4.026 -0.723 17578 2879 1 6 . 1 1 8 8 VAL CA C 43 67.430 67.430 65.936 1.494 17578 2880 1 6 . 1 1 8 8 VAL CB C 43 31.374 31.374 31.348 0.026 17578 2881 1 6 . 1 1 8 8 VAL H H 43 9.215 9.215 8.196 1.019 17578 2882 1 6 . 1 1 9 9 LEU N N 44 119.626 119.626 121.942 -2.316 17578 2883 1 6 . 1 1 9 9 LEU HA H 44 3.833 3.833 4.120 -0.287 17578 2884 1 6 . 1 1 9 9 LEU CA C 44 58.453 58.453 58.142 0.311 17578 2885 1 6 . 1 1 9 9 LEU CB C 44 41.171 41.171 41.473 -0.302 17578 2886 1 6 . 1 1 9 9 LEU H H 44 8.471 8.471 8.369 0.102 17578 2887 1 6 . 1 1 10 10 LYS N N 45 119.761 119.761 118.506 1.255 17578 2888 1 6 . 1 1 10 10 LYS HA H 45 4.026 4.026 4.060 -0.034 17578 2889 1 6 . 1 1 10 10 LYS CA C 45 59.919 59.919 59.076 0.843 17578 2890 1 6 . 1 1 10 10 LYS CB C 45 32.430 32.430 31.532 0.898 17578 2891 1 6 . 1 1 10 10 LYS H H 45 7.883 7.883 8.272 -0.389 17578 2892 1 6 . 1 1 11 11 THR N N 46 116.469 116.469 118.110 -1.641 17578 2893 1 6 . 1 1 11 11 THR HA H 46 4.339 4.339 3.849 0.490 17578 2894 1 6 . 1 1 11 11 THR C C 46 175.987 175.987 176.257 -0.270 17578 2895 1 6 . 1 1 11 11 THR CB C 46 68.013 68.013 68.446 -0.433 17578 2896 1 6 . 1 1 11 11 THR H H 46 7.805 7.805 8.079 -0.274 17578 2897 1 6 . 1 1 12 12 VAL N N 47 121.907 121.907 121.636 0.271 17578 2898 1 6 . 1 1 12 12 VAL HA H 47 3.232 3.232 3.892 -0.660 17578 2899 1 6 . 1 1 12 12 VAL CA C 47 67.331 67.331 66.251 1.080 17578 2900 1 6 . 1 1 12 12 VAL CB C 47 31.438 31.438 31.923 -0.485 17578 2901 1 6 . 1 1 12 12 VAL H H 47 8.782 8.782 8.347 0.435 17578 2902 1 6 . 1 1 13 13 LYS N N 48 122.393 122.393 118.997 3.396 17578 2903 1 6 . 1 1 13 13 LYS HA H 48 4.258 4.258 4.244 0.014 17578 2904 1 6 . 1 1 13 13 LYS C C 48 179.808 179.808 178.821 0.987 17578 2905 1 6 . 1 1 13 13 LYS CA C 48 59.999 59.999 59.173 0.826 17578 2906 1 6 . 1 1 13 13 LYS CB C 48 32.553 32.553 32.215 0.338 17578 2907 1 6 . 1 1 13 13 LYS H H 48 8.171 8.171 8.003 0.168 17578 2908 1 6 . 1 1 14 14 LYS N N 49 118.852 118.852 118.007 0.845 17578 2909 1 6 . 1 1 14 14 LYS HA H 49 3.973 3.973 4.157 -0.184 17578 2910 1 6 . 1 1 14 14 LYS CA C 49 59.811 59.811 58.688 1.123 17578 2911 1 6 . 1 1 14 14 LYS CB C 49 33.389 33.389 32.570 0.819 17578 2912 1 6 . 1 1 14 14 LYS H H 49 7.941 7.941 7.814 0.127 17578 2913 1 6 . 1 1 15 15 ALA N N 50 122.047 122.047 122.276 -0.229 17578 2914 1 6 . 1 1 15 15 ALA HA H 50 3.496 3.496 4.094 -0.598 17578 2915 1 6 . 1 1 15 15 ALA CA C 50 54.709 54.709 54.327 0.382 17578 2916 1 6 . 1 1 15 15 ALA CB C 50 18.917 18.917 17.827 1.090 17578 2917 1 6 . 1 1 15 15 ALA H H 50 8.544 8.544 8.146 0.398 17578 2918 1 6 . 1 1 16 16 SER N N 51 116.561 116.561 114.069 2.492 17578 2919 1 6 . 1 1 16 16 SER HA H 51 4.730 4.730 4.145 0.585 17578 2920 1 6 . 1 1 16 16 SER C C 51 178.560 178.560 176.615 1.945 17578 2921 1 6 . 1 1 16 16 SER CA C 51 61.680 61.680 62.198 -0.518 17578 2922 1 6 . 1 1 16 16 SER CB C 51 62.551 62.551 63.163 -0.612 17578 2923 1 6 . 1 1 16 16 SER H H 51 8.551 8.551 8.128 0.423 17578 2924 1 6 . 1 1 17 17 LYS N N 52 124.890 124.890 121.994 2.896 17578 2925 1 6 . 1 1 17 17 LYS HA H 52 4.072 4.072 4.174 -0.102 17578 2926 1 6 . 1 1 17 17 LYS C C 52 177.377 177.377 176.822 0.555 17578 2927 1 6 . 1 1 17 17 LYS CA C 52 58.931 58.931 57.643 1.288 17578 2928 1 6 . 1 1 17 17 LYS CB C 52 31.961 31.961 32.342 -0.381 17578 2929 1 6 . 1 1 17 17 LYS H H 52 7.578 7.578 7.555 0.023 17578 2930 1 6 . 1 1 18 18 ALA N N 53 118.628 118.628 119.031 -0.403 17578 2931 1 6 . 1 1 18 18 ALA HA H 53 4.285 4.285 4.359 -0.074 17578 2932 1 6 . 1 1 18 18 ALA C C 53 175.061 175.061 176.299 -1.238 17578 2933 1 6 . 1 1 18 18 ALA CA C 53 51.822 51.822 51.252 0.570 17578 2934 1 6 . 1 1 18 18 ALA CB C 53 19.390 19.390 19.084 0.306 17578 2935 1 6 . 1 1 18 18 ALA H H 53 7.112 7.112 7.602 -0.490 17578 2936 1 6 . 1 1 19 19 LYS N N 54 111.984 111.984 116.410 -4.426 17578 2937 1 6 . 1 1 19 19 LYS HA H 54 4.026 4.026 3.921 0.105 17578 2938 1 6 . 1 1 19 19 LYS CA C 54 57.222 57.222 57.485 -0.263 17578 2939 1 6 . 1 1 19 19 LYS CB C 54 28.387 28.387 30.616 -2.229 17578 2940 1 6 . 1 1 19 19 LYS H H 54 7.653 7.653 7.606 0.047 17578 2941 1 6 . 1 1 20 20 ASN N N 55 116.088 116.088 116.407 -0.319 17578 2942 1 6 . 1 1 20 20 ASN HA H 55 5.102 5.102 4.938 0.164 17578 2943 1 6 . 1 1 20 20 ASN C C 55 172.975 172.975 174.486 -1.511 17578 2944 1 6 . 1 1 20 20 ASN CA C 55 51.215 51.215 52.858 -1.643 17578 2945 1 6 . 1 1 20 20 ASN CB C 55 40.316 40.316 39.083 1.233 17578 2946 1 6 . 1 1 20 20 ASN H H 55 8.118 8.118 7.657 0.461 17578 2947 1 6 . 1 1 21 21 VAL N N 56 114.959 114.959 118.032 -3.073 17578 2948 1 6 . 1 1 21 21 VAL HA H 56 4.938 4.938 4.142 0.796 17578 2949 1 6 . 1 1 21 21 VAL C C 56 175.409 175.409 173.591 1.818 17578 2950 1 6 . 1 1 21 21 VAL CA C 56 60.901 60.901 61.303 -0.402 17578 2951 1 6 . 1 1 21 21 VAL CB C 56 35.368 35.368 34.683 0.685 17578 2952 1 6 . 1 1 21 21 VAL H H 56 7.628 7.628 7.378 0.250 17578 2953 1 6 . 1 1 22 22 LYS N N 57 126.485 126.485 128.527 -2.042 17578 2954 1 6 . 1 1 22 22 LYS HA H 57 4.712 4.712 4.743 -0.031 17578 2955 1 6 . 1 1 22 22 LYS C C 57 175.394 175.394 174.605 0.789 17578 2956 1 6 . 1 1 22 22 LYS CA C 57 54.485 54.485 53.411 1.073 17578 2957 1 6 . 1 1 22 22 LYS CB C 57 33.669 33.669 35.655 -1.986 17578 2958 1 6 . 1 1 22 22 LYS H H 57 8.987 8.987 8.435 0.552 17578 2959 1 6 . 1 1 23 23 ARG N N 58 122.011 122.011 120.863 1.148 17578 2960 1 6 . 1 1 23 23 ARG HA H 58 4.837 4.837 5.029 -0.192 17578 2961 1 6 . 1 1 23 23 ARG C C 58 175.930 175.930 175.948 -0.018 17578 2962 1 6 . 1 1 23 23 ARG CA C 58 55.872 55.872 55.300 0.572 17578 2963 1 6 . 1 1 23 23 ARG CB C 58 33.513 33.513 31.791 1.722 17578 2964 1 6 . 1 1 23 23 ARG H H 58 9.024 9.024 8.565 0.459 17578 2965 1 6 . 1 1 24 24 GLY N N 59 111.007 111.007 112.298 -1.291 17578 2966 1 6 . 1 1 24 24 GLY CA C 59 44.790 44.790 45.131 -0.341 17578 2967 1 6 . 1 1 24 24 GLY H H 59 8.315 8.315 9.104 -0.789 17578 2968 1 6 . 1 1 25 25 VAL N N 60 119.423 119.423 122.102 -2.679 17578 2969 1 6 . 1 1 25 25 VAL HA H 60 3.156 3.156 3.373 -0.217 17578 2970 1 6 . 1 1 25 25 VAL C C 60 176.562 176.562 176.734 -0.172 17578 2971 1 6 . 1 1 25 25 VAL CA C 60 68.037 68.037 65.567 2.470 17578 2972 1 6 . 1 1 25 25 VAL CB C 60 32.050 32.050 31.804 0.246 17578 2973 1 6 . 1 1 25 25 VAL H H 60 8.152 8.152 8.620 -0.468 17578 2974 1 6 . 1 1 26 26 LYS N N 61 117.316 117.316 118.877 -1.561 17578 2975 1 6 . 1 1 26 26 LYS HA H 61 3.919 3.919 4.037 -0.118 17578 2976 1 6 . 1 1 26 26 LYS C C 61 180.130 180.130 178.286 1.844 17578 2977 1 6 . 1 1 26 26 LYS CA C 61 60.157 60.157 59.569 0.588 17578 2978 1 6 . 1 1 26 26 LYS CB C 61 32.041 32.041 31.920 0.121 17578 2979 1 6 . 1 1 26 26 LYS H H 61 8.156 8.156 8.497 -0.341 17578 2980 1 6 . 1 1 27 27 GLU N N 62 117.535 117.535 118.669 -1.134 17578 2981 1 6 . 1 1 27 27 GLU HA H 62 3.961 3.961 4.162 -0.201 17578 2982 1 6 . 1 1 27 27 GLU CA C 62 58.787 58.787 59.155 -0.368 17578 2983 1 6 . 1 1 27 27 GLU CB C 62 29.843 29.843 29.262 0.581 17578 2984 1 6 . 1 1 27 27 GLU H H 62 8.531 8.531 7.563 0.968 17578 2985 1 6 . 1 1 28 28 VAL N N 63 120.589 120.589 117.228 3.361 17578 2986 1 6 . 1 1 28 28 VAL HA H 63 3.498 3.498 2.520 0.978 17578 2987 1 6 . 1 1 28 28 VAL CA C 63 68.099 68.099 65.886 2.213 17578 2988 1 6 . 1 1 28 28 VAL CB C 63 31.376 31.376 31.164 0.212 17578 2989 1 6 . 1 1 28 28 VAL H H 63 8.255 8.255 7.974 0.281 17578 2990 1 6 . 1 1 29 29 VAL N N 64 118.570 118.570 120.518 -1.948 17578 2991 1 6 . 1 1 29 29 VAL HA H 64 3.359 3.359 3.491 -0.132 17578 2992 1 6 . 1 1 29 29 VAL C C 64 177.549 177.549 177.966 -0.417 17578 2993 1 6 . 1 1 29 29 VAL CA C 64 67.456 67.456 66.609 0.847 17578 2994 1 6 . 1 1 29 29 VAL CB C 64 31.233 31.233 31.247 -0.014 17578 2995 1 6 . 1 1 29 29 VAL H H 64 8.535 8.535 7.957 0.578 17578 2996 1 6 . 1 1 30 30 LYS N N 65 117.926 117.926 119.995 -2.069 17578 2997 1 6 . 1 1 30 30 LYS HA H 65 3.875 3.875 3.907 -0.032 17578 2998 1 6 . 1 1 30 30 LYS CA C 65 59.811 59.811 60.027 -0.216 17578 2999 1 6 . 1 1 30 30 LYS CB C 65 32.715 32.715 32.304 0.411 17578 3000 1 6 . 1 1 30 30 LYS H H 65 7.538 7.538 7.894 -0.356 17578 3001 1 6 . 1 1 31 31 ALA N N 66 120.475 120.475 120.877 -0.402 17578 3002 1 6 . 1 1 31 31 ALA HA H 66 4.071 4.071 4.213 -0.142 17578 3003 1 6 . 1 1 31 31 ALA C C 66 179.596 179.596 179.878 -0.282 17578 3004 1 6 . 1 1 31 31 ALA CA C 66 55.051 55.051 54.581 0.470 17578 3005 1 6 . 1 1 31 31 ALA CB C 66 18.901 18.901 18.195 0.706 17578 3006 1 6 . 1 1 31 31 ALA H H 66 7.496 7.496 7.907 -0.411 17578 3007 1 6 . 1 1 32 32 LEU N N 67 119.357 119.357 120.926 -1.569 17578 3008 1 6 . 1 1 32 32 LEU HA H 67 3.854 3.854 3.800 0.054 17578 3009 1 6 . 1 1 32 32 LEU CA C 67 57.859 57.859 57.430 0.429 17578 3010 1 6 . 1 1 32 32 LEU CB C 67 42.442 42.442 42.055 0.387 17578 3011 1 6 . 1 1 32 32 LEU H H 67 8.376 8.376 7.889 0.487 17578 3012 1 6 . 1 1 33 33 ARG N N 68 116.045 116.045 117.300 -1.255 17578 3013 1 6 . 1 1 33 33 ARG HA H 68 3.802 3.802 4.006 -0.204 17578 3014 1 6 . 1 1 33 33 ARG CA C 68 59.306 59.306 57.334 1.972 17578 3015 1 6 . 1 1 33 33 ARG CB C 68 29.759 29.759 29.922 -0.163 17578 3016 1 6 . 1 1 33 33 ARG H H 68 8.091 8.091 7.912 0.179 17578 3017 1 6 . 1 1 34 34 LYS N N 69 117.845 117.845 117.084 0.761 17578 3018 1 6 . 1 1 34 34 LYS HA H 69 4.255 4.255 4.202 0.053 17578 3019 1 6 . 1 1 34 34 LYS C C 69 176.831 176.831 177.070 -0.239 17578 3020 1 6 . 1 1 34 34 LYS CA C 69 56.548 56.548 56.345 0.203 17578 3021 1 6 . 1 1 34 34 LYS CB C 69 32.710 32.710 32.631 0.079 17578 3022 1 6 . 1 1 34 34 LYS H H 69 7.616 7.616 8.011 -0.395 17578 3023 1 6 . 1 1 35 35 GLY N N 70 106.783 106.783 107.030 -0.247 17578 3024 1 6 . 1 1 35 35 GLY CA C 70 45.537 45.537 45.909 -0.372 17578 3025 1 6 . 1 1 35 35 GLY H H 70 7.739 7.739 7.421 0.318 17578 3026 1 6 . 1 1 36 36 GLU N N 71 119.424 119.424 117.122 2.302 17578 3027 1 6 . 1 1 36 36 GLU HA H 71 4.226 4.226 4.529 -0.303 17578 3028 1 6 . 1 1 36 36 GLU C C 71 175.400 175.400 177.156 -1.756 17578 3029 1 6 . 1 1 36 36 GLU CA C 71 57.414 57.414 55.743 1.671 17578 3030 1 6 . 1 1 36 36 GLU CB C 71 29.442 29.442 30.704 -1.262 17578 3031 1 6 . 1 1 36 36 GLU H H 71 7.698 7.698 8.127 -0.429 17578 3032 1 6 . 1 1 37 37 LYS N N 72 118.290 118.290 122.861 -4.571 17578 3033 1 6 . 1 1 37 37 LYS HA H 72 4.903 4.903 4.243 0.660 17578 3034 1 6 . 1 1 37 37 LYS C C 72 175.809 175.809 176.923 -1.114 17578 3035 1 6 . 1 1 37 37 LYS CA C 72 53.791 53.791 57.422 -3.631 17578 3036 1 6 . 1 1 37 37 LYS CB C 72 34.781 34.781 32.790 1.991 17578 3037 1 6 . 1 1 37 37 LYS H H 72 8.223 8.223 7.949 0.274 17578 3038 1 6 . 1 1 38 38 GLY N N 73 104.682 104.682 112.460 -7.778 17578 3039 1 6 . 1 1 38 38 GLY C C 73 171.884 171.884 173.996 -2.112 17578 3040 1 6 . 1 1 38 38 GLY CA C 73 46.360 46.360 45.359 1.001 17578 3041 1 6 . 1 1 38 38 GLY H H 73 7.217 7.217 8.454 -1.237 17578 3042 1 6 . 1 1 39 39 LEU N N 74 125.372 125.372 121.667 3.705 17578 3043 1 6 . 1 1 39 39 LEU HA H 74 4.994 4.994 4.846 0.148 17578 3044 1 6 . 1 1 39 39 LEU C C 74 174.380 174.380 176.193 -1.813 17578 3045 1 6 . 1 1 39 39 LEU CA C 74 54.363 54.363 53.291 1.073 17578 3046 1 6 . 1 1 39 39 LEU CB C 74 47.028 47.028 43.681 3.347 17578 3047 1 6 . 1 1 39 39 LEU H H 74 8.945 8.945 8.063 0.882 17578 3048 1 6 . 1 1 40 40 VAL N N 75 130.967 130.967 125.839 5.128 17578 3049 1 6 . 1 1 40 40 VAL HA H 75 4.644 4.644 4.239 0.405 17578 3050 1 6 . 1 1 40 40 VAL C C 75 173.667 173.667 174.790 -1.123 17578 3051 1 6 . 1 1 40 40 VAL CA C 75 62.273 62.273 61.989 0.284 17578 3052 1 6 . 1 1 40 40 VAL CB C 75 32.591 32.591 31.779 0.812 17578 3053 1 6 . 1 1 40 40 VAL H H 75 8.551 8.551 8.635 -0.084 17578 3054 1 6 . 1 1 41 41 VAL N N 76 127.493 127.493 128.828 -1.335 17578 3055 1 6 . 1 1 41 41 VAL HA H 76 4.660 4.660 4.202 0.458 17578 3056 1 6 . 1 1 41 41 VAL C C 76 173.669 173.669 174.912 -1.243 17578 3057 1 6 . 1 1 41 41 VAL CA C 76 60.899 60.899 61.088 -0.189 17578 3058 1 6 . 1 1 41 41 VAL CB C 76 33.346 33.346 31.831 1.515 17578 3059 1 6 . 1 1 41 41 VAL H H 76 8.804 8.804 9.164 -0.360 17578 3060 1 6 . 1 1 42 42 ILE N N 77 125.646 125.646 127.902 -2.256 17578 3061 1 6 . 1 1 42 42 ILE HA H 77 4.444 4.444 4.288 0.156 17578 3062 1 6 . 1 1 42 42 ILE C C 77 174.817 174.817 174.337 0.480 17578 3063 1 6 . 1 1 42 42 ILE CA C 77 59.700 59.700 58.853 0.847 17578 3064 1 6 . 1 1 42 42 ILE CB C 77 39.977 39.977 37.849 2.128 17578 3065 1 6 . 1 1 42 42 ILE H H 77 8.613 8.613 8.358 0.255 17578 3066 1 6 . 1 1 43 43 ALA N N 78 128.691 128.691 130.464 -1.773 17578 3067 1 6 . 1 1 43 43 ALA HA H 78 4.459 4.459 5.423 -0.964 17578 3068 1 6 . 1 1 43 43 ALA C C 78 177.584 177.584 178.153 -0.569 17578 3069 1 6 . 1 1 43 43 ALA CA C 78 52.372 52.372 50.287 2.085 17578 3070 1 6 . 1 1 43 43 ALA CB C 78 19.504 19.504 19.888 -0.384 17578 3071 1 6 . 1 1 43 43 ALA H H 78 8.565 8.565 7.930 0.635 17578 3072 1 6 . 1 1 44 44 GLY N N 79 103.957 103.957 110.630 -6.673 17578 3073 1 6 . 1 1 44 44 GLY C C 79 173.252 173.252 173.671 -0.419 17578 3074 1 6 . 1 1 44 44 GLY CA C 79 45.764 45.764 45.559 0.205 17578 3075 1 6 . 1 1 44 44 GLY H H 79 9.083 9.083 9.065 0.018 17578 3076 1 6 . 1 1 45 45 ASP N N 80 118.632 118.632 120.577 -1.945 17578 3077 1 6 . 1 1 45 45 ASP HA H 80 4.918 4.918 4.900 0.018 17578 3078 1 6 . 1 1 45 45 ASP CA C 80 52.689 52.689 54.188 -1.499 17578 3079 1 6 . 1 1 45 45 ASP CB C 80 39.118 39.118 42.346 -3.228 17578 3080 1 6 . 1 1 45 45 ASP H H 80 8.695 8.695 7.930 0.765 17578 3081 1 6 . 1 1 46 46 ILE N N 81 117.935 117.935 118.079 -0.144 17578 3082 1 6 . 1 1 46 46 ILE HA H 81 4.179 4.179 4.434 -0.255 17578 3083 1 6 . 1 1 46 46 ILE C C 81 172.890 172.890 173.801 -0.911 17578 3084 1 6 . 1 1 46 46 ILE CA C 81 59.242 59.242 60.543 -1.301 17578 3085 1 6 . 1 1 46 46 ILE CB C 81 39.253 39.253 41.414 -2.161 17578 3086 1 6 . 1 1 46 46 ILE H H 81 6.730 6.730 7.413 -0.683 17578 3087 1 6 . 1 1 47 47 TRP N N 82 123.585 123.585 125.362 -1.777 17578 3088 1 6 . 1 1 47 47 TRP HA H 82 4.587 4.587 5.244 -0.657 17578 3089 1 6 . 1 1 47 47 TRP CA C 82 55.386 55.386 54.474 0.912 17578 3090 1 6 . 1 1 47 47 TRP CB C 82 32.147 32.147 28.671 3.476 17578 3091 1 6 . 1 1 47 47 TRP H H 82 7.804 7.804 8.319 -0.515 17578 3092 1 6 . 1 1 48 48 PRO HA H 83 4.248 4.248 4.668 -0.420 17578 3093 1 6 . 1 1 48 48 PRO CA C 83 62.712 62.712 62.355 0.357 17578 3094 1 6 . 1 1 48 48 PRO CB C 83 34.011 34.011 32.061 1.950 17578 3095 1 6 . 1 1 49 49 ALA N N 84 121.827 121.827 120.283 1.544 17578 3096 1 6 . 1 1 49 49 ALA HA H 84 3.969 3.969 4.298 -0.329 17578 3097 1 6 . 1 1 49 49 ALA CA C 84 54.183 54.183 52.588 1.595 17578 3098 1 6 . 1 1 49 49 ALA CB C 84 19.404 19.404 18.547 0.857 17578 3099 1 6 . 1 1 49 49 ALA H H 84 8.198 8.198 8.532 -0.334 17578 3100 1 6 . 1 1 50 50 ASP N N 85 114.049 114.049 119.173 -5.124 17578 3101 1 6 . 1 1 50 50 ASP HA H 85 4.301 4.301 4.295 0.006 17578 3102 1 6 . 1 1 50 50 ASP C C 85 177.428 177.428 178.030 -0.602 17578 3103 1 6 . 1 1 50 50 ASP CA C 85 55.777 55.777 57.424 -1.647 17578 3104 1 6 . 1 1 50 50 ASP CB C 85 40.060 40.060 40.738 -0.678 17578 3105 1 6 . 1 1 50 50 ASP H H 85 8.008 8.008 8.748 -0.740 17578 3106 1 6 . 1 1 51 51 VAL N N 86 116.790 116.790 116.454 0.336 17578 3107 1 6 . 1 1 51 51 VAL HA H 86 3.841 3.841 3.558 0.283 17578 3108 1 6 . 1 1 51 51 VAL C C 86 176.231 176.231 177.218 -0.987 17578 3109 1 6 . 1 1 51 51 VAL CA C 86 65.332 65.332 65.639 -0.308 17578 3110 1 6 . 1 1 51 51 VAL CB C 86 32.123 32.123 31.608 0.515 17578 3111 1 6 . 1 1 51 51 VAL H H 86 7.542 7.542 7.396 0.146 17578 3112 1 6 . 1 1 52 52 ILE N N 87 107.529 107.529 120.009 -12.480 17578 3113 1 6 . 1 1 52 52 ILE HA H 87 4.638 4.638 3.625 1.013 17578 3114 1 6 . 1 1 52 52 ILE C C 87 178.026 178.026 177.573 0.453 17578 3115 1 6 . 1 1 52 52 ILE CA C 87 59.806 59.806 64.157 -4.351 17578 3116 1 6 . 1 1 52 52 ILE CB C 87 40.742 40.742 37.655 3.087 17578 3117 1 6 . 1 1 52 52 ILE H H 87 7.310 7.310 8.614 -1.304 17578 3118 1 6 . 1 1 53 53 SER N N 88 116.004 116.004 114.501 1.503 17578 3119 1 6 . 1 1 53 53 SER HA H 88 4.566 4.566 4.378 0.188 17578 3120 1 6 . 1 1 53 53 SER CA C 88 61.760 61.760 61.502 0.258 17578 3121 1 6 . 1 1 53 53 SER CB C 88 62.391 62.391 63.770 -1.379 17578 3122 1 6 . 1 1 53 53 SER H H 88 7.827 7.827 8.204 -0.377 17578 3123 1 6 . 1 1 54 54 HIS HA H 89 4.572 4.572 4.418 0.154 17578 3124 1 6 . 1 1 54 54 HIS CA C 89 56.789 56.789 59.122 -2.333 17578 3125 1 6 . 1 1 54 54 HIS CB C 89 30.527 30.527 30.070 0.457 17578 3126 1 6 . 1 1 55 55 ILE N N 90 120.579 120.579 121.178 -0.599 17578 3127 1 6 . 1 1 55 55 ILE HA H 90 3.512 3.512 3.769 -0.257 17578 3128 1 6 . 1 1 55 55 ILE CA C 90 65.424 65.424 67.085 -1.661 17578 3129 1 6 . 1 1 55 55 ILE CB C 90 34.176 34.176 35.771 -1.595 17578 3130 1 6 . 1 1 55 55 ILE H H 90 7.764 7.764 8.104 -0.340 17578 3131 1 6 . 1 1 56 56 PRO HA H 91 2.942 2.942 4.293 -1.351 17578 3132 1 6 . 1 1 56 56 PRO C C 91 177.032 177.032 178.917 -1.885 17578 3133 1 6 . 1 1 56 56 PRO CA C 91 66.842 66.842 65.732 1.110 17578 3134 1 6 . 1 1 56 56 PRO CB C 91 31.206 31.206 31.225 -0.019 17578 3135 1 6 . 1 1 57 57 VAL N N 92 114.379 114.379 118.634 -4.255 17578 3136 1 6 . 1 1 57 57 VAL HA H 92 3.574 3.574 3.687 -0.113 17578 3137 1 6 . 1 1 57 57 VAL CA C 92 65.900 65.900 66.068 -0.168 17578 3138 1 6 . 1 1 57 57 VAL CB C 92 31.600 31.600 31.707 -0.107 17578 3139 1 6 . 1 1 57 57 VAL H H 92 6.497 6.497 7.504 -1.007 17578 3140 1 6 . 1 1 58 58 LEU N N 93 120.522 120.522 119.510 1.012 17578 3141 1 6 . 1 1 58 58 LEU HA H 93 4.227 4.227 4.077 0.150 17578 3142 1 6 . 1 1 58 58 LEU C C 93 180.251 180.251 178.265 1.986 17578 3143 1 6 . 1 1 58 58 LEU CA C 93 57.838 57.838 58.002 -0.164 17578 3144 1 6 . 1 1 58 58 LEU CB C 93 43.172 43.172 41.169 2.003 17578 3145 1 6 . 1 1 58 58 LEU H H 93 7.460 7.460 7.649 -0.189 17578 3146 1 6 . 1 1 59 59 CYS N N 94 117.195 117.195 118.494 -1.299 17578 3147 1 6 . 1 1 59 59 CYS HA H 94 3.867 3.867 4.294 -0.427 17578 3148 1 6 . 1 1 59 59 CYS C C 94 176.362 176.362 176.633 -0.271 17578 3149 1 6 . 1 1 59 59 CYS CA C 94 65.379 65.379 61.882 3.497 17578 3150 1 6 . 1 1 59 59 CYS CB C 94 26.344 26.344 27.052 -0.708 17578 3151 1 6 . 1 1 59 59 CYS H H 94 8.335 8.335 7.991 0.344 17578 3152 1 6 . 1 1 60 60 GLU N N 95 120.777 120.777 120.399 0.378 17578 3153 1 6 . 1 1 60 60 GLU HA H 95 4.209 4.209 4.103 0.106 17578 3154 1 6 . 1 1 60 60 GLU CA C 95 59.760 59.760 58.678 1.083 17578 3155 1 6 . 1 1 60 60 GLU CB C 95 29.201 29.201 29.594 -0.393 17578 3156 1 6 . 1 1 60 60 GLU H H 95 8.235 8.235 8.346 -0.111 17578 3157 1 6 . 1 1 61 61 ASP N N 96 120.910 120.910 118.453 2.457 17578 3158 1 6 . 1 1 61 61 ASP HA H 96 4.292 4.292 4.500 -0.208 17578 3159 1 6 . 1 1 61 61 ASP C C 96 177.890 177.890 177.455 0.435 17578 3160 1 6 . 1 1 61 61 ASP CA C 96 57.235 57.235 55.925 1.310 17578 3161 1 6 . 1 1 61 61 ASP CB C 96 40.580 40.580 41.557 -0.977 17578 3162 1 6 . 1 1 61 61 ASP H H 96 8.509 8.509 7.719 0.790 17578 3163 1 6 . 1 1 62 62 HIS N N 97 115.923 115.923 118.774 -2.851 17578 3164 1 6 . 1 1 62 62 HIS HA H 97 4.495 4.495 4.622 -0.127 17578 3165 1 6 . 1 1 62 62 HIS C C 97 173.548 173.548 174.756 -1.208 17578 3166 1 6 . 1 1 62 62 HIS CA C 97 57.290 57.290 55.998 1.292 17578 3167 1 6 . 1 1 62 62 HIS CB C 97 29.997 29.997 32.779 -2.782 17578 3168 1 6 . 1 1 62 62 HIS H H 97 7.635 7.635 8.059 -0.424 17578 3169 1 6 . 1 1 63 63 SER N N 98 114.634 114.634 113.534 1.100 17578 3170 1 6 . 1 1 63 63 SER HA H 98 4.489 4.489 4.076 0.413 17578 3171 1 6 . 1 1 63 63 SER C C 98 173.949 173.949 172.663 1.286 17578 3172 1 6 . 1 1 63 63 SER CA C 98 58.842 58.842 59.115 -0.273 17578 3173 1 6 . 1 1 63 63 SER CB C 98 61.396 61.396 62.357 -0.961 17578 3174 1 6 . 1 1 63 63 SER H H 98 7.888 7.888 7.807 0.081 17578 3175 1 6 . 1 1 64 64 VAL N N 99 123.090 123.090 123.628 -0.538 17578 3176 1 6 . 1 1 64 64 VAL HA H 99 4.721 4.721 4.329 0.392 17578 3177 1 6 . 1 1 64 64 VAL CA C 99 58.978 58.978 58.636 0.342 17578 3178 1 6 . 1 1 64 64 VAL CB C 99 35.228 35.228 35.047 0.181 17578 3179 1 6 . 1 1 64 64 VAL H H 99 8.590 8.590 7.965 0.625 17578 3180 1 6 . 1 1 65 65 PRO HA H 100 4.263 4.263 4.059 0.204 17578 3181 1 6 . 1 1 65 65 PRO C C 100 173.191 173.191 175.521 -2.330 17578 3182 1 6 . 1 1 65 65 PRO CA C 100 63.427 63.427 62.528 0.899 17578 3183 1 6 . 1 1 65 65 PRO CB C 100 31.863 31.863 32.026 -0.163 17578 3184 1 6 . 1 1 66 66 TYR N N 101 114.702 114.702 119.519 -4.817 17578 3185 1 6 . 1 1 66 66 TYR HA H 101 5.925 5.925 5.486 0.439 17578 3186 1 6 . 1 1 66 66 TYR CA C 101 53.501 53.501 55.181 -1.680 17578 3187 1 6 . 1 1 66 66 TYR CB C 101 41.793 41.793 41.534 0.259 17578 3188 1 6 . 1 1 66 66 TYR H H 101 6.243 6.243 7.269 -1.026 17578 3189 1 6 . 1 1 67 67 ILE N N 102 111.885 111.885 117.537 -5.652 17578 3190 1 6 . 1 1 67 67 ILE HA H 102 4.502 4.502 4.446 0.056 17578 3191 1 6 . 1 1 67 67 ILE C C 102 172.358 172.358 174.300 -1.942 17578 3192 1 6 . 1 1 67 67 ILE CA C 102 55.442 55.442 60.462 -5.020 17578 3193 1 6 . 1 1 67 67 ILE CB C 102 43.124 43.124 42.564 0.560 17578 3194 1 6 . 1 1 67 67 ILE H H 102 7.986 7.986 8.468 -0.482 17578 3195 1 6 . 1 1 68 68 PHE N N 103 122.274 122.274 127.709 -5.435 17578 3196 1 6 . 1 1 68 68 PHE HA H 103 5.087 5.087 4.828 0.259 17578 3197 1 6 . 1 1 68 68 PHE C C 103 176.173 176.173 175.327 0.846 17578 3198 1 6 . 1 1 68 68 PHE CA C 103 56.103 56.103 57.319 -1.216 17578 3199 1 6 . 1 1 68 68 PHE CB C 103 39.891 39.891 39.411 0.480 17578 3200 1 6 . 1 1 68 68 PHE H H 103 8.108 8.108 8.694 -0.586 17578 3201 1 6 . 1 1 69 69 ILE N N 104 114.613 114.613 121.085 -6.472 17578 3202 1 6 . 1 1 69 69 ILE HA H 104 4.927 4.927 4.922 0.005 17578 3203 1 6 . 1 1 69 69 ILE CA C 104 57.831 57.831 58.191 -0.360 17578 3204 1 6 . 1 1 69 69 ILE CB C 104 38.302 38.302 39.717 -1.415 17578 3205 1 6 . 1 1 69 69 ILE H H 104 8.843 8.843 8.766 0.077 17578 3206 1 6 . 1 1 70 70 PRO HA H 105 4.093 4.093 4.757 -0.664 17578 3207 1 6 . 1 1 70 70 PRO CA C 105 66.439 66.439 63.067 3.372 17578 3208 1 6 . 1 1 70 70 PRO CB C 105 32.879 32.879 32.940 -0.061 17578 3209 1 6 . 1 1 71 71 SER N N 106 106.896 106.896 111.825 -4.929 17578 3210 1 6 . 1 1 71 71 SER HA H 106 5.227 5.227 4.581 0.646 17578 3211 1 6 . 1 1 71 71 SER CA C 106 55.373 55.373 59.472 -4.099 17578 3212 1 6 . 1 1 71 71 SER CB C 106 64.696 64.696 64.508 0.188 17578 3213 1 6 . 1 1 71 71 SER H H 106 7.548 7.548 8.112 -0.564 17578 3214 1 6 . 1 1 72 72 LYS N N 107 119.881 119.881 121.645 -1.764 17578 3215 1 6 . 1 1 72 72 LYS HA H 107 4.191 4.191 3.877 0.314 17578 3216 1 6 . 1 1 72 72 LYS CA C 107 58.623 58.623 60.832 -2.209 17578 3217 1 6 . 1 1 72 72 LYS CB C 107 30.957 30.957 32.296 -1.339 17578 3218 1 6 . 1 1 72 72 LYS H H 107 8.328 8.328 8.300 0.028 17578 3219 1 6 . 1 1 73 73 GLN N N 108 123.720 123.720 117.310 6.410 17578 3220 1 6 . 1 1 73 73 GLN HA H 108 4.013 4.013 4.092 -0.079 17578 3221 1 6 . 1 1 73 73 GLN CA C 108 58.621 58.621 59.121 -0.500 17578 3222 1 6 . 1 1 73 73 GLN CB C 108 28.331 28.331 28.221 0.110 17578 3223 1 6 . 1 1 73 73 GLN H H 108 8.543 8.543 8.396 0.147 17578 3224 1 6 . 1 1 74 74 ASP N N 109 121.068 121.068 119.925 1.143 17578 3225 1 6 . 1 1 74 74 ASP HA H 109 4.353 4.353 4.345 0.008 17578 3226 1 6 . 1 1 74 74 ASP CA C 109 56.941 56.941 57.198 -0.257 17578 3227 1 6 . 1 1 74 74 ASP CB C 109 40.403 40.403 40.296 0.107 17578 3228 1 6 . 1 1 74 74 ASP H H 109 7.998 7.998 8.540 -0.542 17578 3229 1 6 . 1 1 75 75 LEU N N 110 120.670 120.670 119.985 0.685 17578 3230 1 6 . 1 1 75 75 LEU HA H 110 3.967 3.967 4.149 -0.182 17578 3231 1 6 . 1 1 75 75 LEU C C 110 178.753 178.753 179.174 -0.421 17578 3232 1 6 . 1 1 75 75 LEU CA C 110 57.080 57.080 57.025 0.055 17578 3233 1 6 . 1 1 75 75 LEU CB C 110 41.235 41.235 41.933 -0.698 17578 3234 1 6 . 1 1 75 75 LEU H H 110 7.999 7.999 7.750 0.249 17578 3235 1 6 . 1 1 76 76 GLY N N 111 105.512 105.512 106.813 -1.301 17578 3236 1 6 . 1 1 76 76 GLY C C 111 175.517 175.517 176.301 -0.784 17578 3237 1 6 . 1 1 76 76 GLY CA C 111 46.745 46.745 47.486 -0.741 17578 3238 1 6 . 1 1 76 76 GLY H H 111 8.012 8.012 8.053 -0.041 17578 3239 1 6 . 1 1 77 77 ALA N N 112 122.891 122.891 124.746 -1.855 17578 3240 1 6 . 1 1 77 77 ALA HA H 112 4.180 4.180 4.231 -0.051 17578 3241 1 6 . 1 1 77 77 ALA CA C 112 53.652 53.652 54.382 -0.730 17578 3242 1 6 . 1 1 77 77 ALA CB C 112 18.482 18.482 18.562 -0.080 17578 3243 1 6 . 1 1 77 77 ALA H H 112 7.785 7.785 8.255 -0.470 17578 3244 1 6 . 1 1 78 78 ALA N N 113 121.205 121.205 119.350 1.855 17578 3245 1 6 . 1 1 78 78 ALA HA H 113 4.213 4.213 4.070 0.143 17578 3246 1 6 . 1 1 78 78 ALA CA C 113 53.503 53.503 53.239 0.264 17578 3247 1 6 . 1 1 78 78 ALA CB C 113 18.897 18.897 19.564 -0.667 17578 3248 1 6 . 1 1 78 78 ALA H H 113 7.787 7.787 7.754 0.033 17578 3249 1 6 . 1 1 79 79 GLY N N 114 104.082 104.082 102.192 1.890 17578 3250 1 6 . 1 1 79 79 GLY CA C 114 44.764 44.764 44.953 -0.188 17578 3251 1 6 . 1 1 79 79 GLY H H 114 7.756 7.756 7.772 -0.016 17578 3252 1 6 . 1 1 80 80 ALA HA H 115 4.061 4.061 4.624 -0.563 17578 3253 1 6 . 1 1 80 80 ALA CA C 115 53.192 53.192 51.574 1.618 17578 3254 1 6 . 1 1 80 80 ALA CB C 115 19.493 19.493 20.361 -0.868 17578 3255 1 6 . 1 1 81 81 THR N N 116 116.258 116.258 113.737 2.521 17578 3256 1 6 . 1 1 81 81 THR CA C 116 57.223 57.223 62.496 -5.273 17578 3257 1 6 . 1 1 81 81 THR CB C 116 64.784 64.784 67.855 -3.071 17578 3258 1 6 . 1 1 81 81 THR H H 116 8.121 8.121 7.875 0.246 17578 3259 1 6 . 1 1 83 83 ARG N N 118 122.269 122.269 118.915 3.354 17578 3260 1 6 . 1 1 83 83 ARG H H 118 8.128 8.128 7.757 0.371 17578 3261 1 6 . 1 1 85 85 THR N N 120 120.171 120.171 117.193 2.978 17578 3262 1 6 . 1 1 85 85 THR C C 120 172.729 172.729 174.018 -1.289 17578 3263 1 6 . 1 1 85 85 THR H H 120 8.127 8.127 8.073 0.054 17578 3264 1 6 . 1 1 86 86 SER N N 121 115.808 115.808 115.549 0.259 17578 3265 1 6 . 1 1 86 86 SER HA H 121 4.280 4.280 4.542 -0.262 17578 3266 1 6 . 1 1 86 86 SER CA C 121 59.573 59.573 58.795 0.778 17578 3267 1 6 . 1 1 86 86 SER CB C 121 64.384 64.384 63.679 0.705 17578 3268 1 6 . 1 1 86 86 SER H H 121 7.045 7.045 8.167 -1.122 17578 3269 1 6 . 1 1 87 87 VAL N N 122 115.790 115.790 119.678 -3.888 17578 3270 1 6 . 1 1 87 87 VAL HA H 122 5.203 5.203 4.374 0.829 17578 3271 1 6 . 1 1 87 87 VAL CA C 122 59.412 59.412 62.057 -2.645 17578 3272 1 6 . 1 1 87 87 VAL CB C 122 32.729 32.729 31.989 0.740 17578 3273 1 6 . 1 1 87 87 VAL H H 122 7.082 7.082 7.825 -0.743 17578 3274 1 6 . 1 1 88 88 VAL N N 123 119.313 119.313 126.351 -7.038 17578 3275 1 6 . 1 1 88 88 VAL HA H 123 5.097 5.097 5.209 -0.112 17578 3276 1 6 . 1 1 88 88 VAL C C 123 172.990 172.990 173.730 -0.740 17578 3277 1 6 . 1 1 88 88 VAL CA C 123 58.925 58.925 59.233 -0.308 17578 3278 1 6 . 1 1 88 88 VAL CB C 123 35.929 35.929 35.402 0.527 17578 3279 1 6 . 1 1 88 88 VAL H H 123 8.948 8.948 8.254 0.694 17578 3280 1 6 . 1 1 89 89 PHE N N 124 122.616 122.616 125.132 -2.516 17578 3281 1 6 . 1 1 89 89 PHE HA H 124 5.641 5.641 5.613 0.028 17578 3282 1 6 . 1 1 89 89 PHE C C 124 174.686 174.686 172.896 1.790 17578 3283 1 6 . 1 1 89 89 PHE CA C 124 52.579 52.579 54.965 -2.386 17578 3284 1 6 . 1 1 89 89 PHE CB C 124 42.392 42.392 42.628 -0.236 17578 3285 1 6 . 1 1 89 89 PHE H H 124 9.065 9.065 9.313 -0.248 17578 3286 1 6 . 1 1 90 90 ILE N N 125 127.599 127.599 120.525 7.074 17578 3287 1 6 . 1 1 90 90 ILE HA H 125 4.268 4.268 4.370 -0.102 17578 3288 1 6 . 1 1 90 90 ILE C C 125 173.652 173.652 174.545 -0.893 17578 3289 1 6 . 1 1 90 90 ILE CA C 125 61.605 61.605 59.708 1.897 17578 3290 1 6 . 1 1 90 90 ILE CB C 125 39.533 39.533 39.907 -0.374 17578 3291 1 6 . 1 1 90 90 ILE H H 125 9.498 9.498 9.116 0.382 17578 3292 1 6 . 1 1 91 91 VAL N N 126 126.693 126.693 128.092 -1.399 17578 3293 1 6 . 1 1 91 91 VAL HA H 126 4.595 4.595 4.798 -0.203 17578 3294 1 6 . 1 1 91 91 VAL CA C 126 58.380 58.380 57.945 0.435 17578 3295 1 6 . 1 1 91 91 VAL CB C 126 32.597 32.597 34.757 -2.160 17578 3296 1 6 . 1 1 91 91 VAL H H 126 8.169 8.169 8.359 -0.190 17578 3297 1 6 . 1 1 92 92 PRO HA H 127 4.044 4.044 4.612 -0.568 17578 3298 1 6 . 1 1 92 92 PRO CA C 127 63.380 63.380 63.214 0.166 17578 3299 1 6 . 1 1 92 92 PRO CB C 127 31.735 31.735 30.050 1.685 17578 3300 1 6 . 1 1 93 93 GLY N N 128 108.589 108.589 112.083 -3.494 17578 3301 1 6 . 1 1 93 93 GLY CA C 128 45.443 45.443 45.825 -0.382 17578 3302 1 6 . 1 1 93 93 GLY H H 128 8.022 8.022 8.946 -0.924 17578 3303 1 6 . 1 1 94 94 SER N N 129 113.115 113.115 114.796 -1.681 17578 3304 1 6 . 1 1 94 94 SER H H 129 7.992 7.992 7.944 0.048 17578 3305 1 6 . 1 1 95 95 ASN N N 130 120.738 120.738 120.575 0.163 17578 3306 1 6 . 1 1 95 95 ASN C C 130 178.419 178.419 176.382 2.037 17578 3307 1 6 . 1 1 95 95 ASN CA C 130 57.337 57.337 56.387 0.950 17578 3308 1 6 . 1 1 95 95 ASN CB C 130 41.958 41.958 38.890 3.068 17578 3309 1 6 . 1 1 95 95 ASN H H 130 8.313 8.313 8.820 -0.507 17578 3310 1 6 . 1 1 96 96 LYS N N 131 119.159 119.159 116.534 2.625 17578 3311 1 6 . 1 1 96 96 LYS HA H 131 4.021 4.021 4.299 -0.278 17578 3312 1 6 . 1 1 96 96 LYS CA C 131 58.749 58.749 58.469 0.280 17578 3313 1 6 . 1 1 96 96 LYS CB C 131 29.565 29.565 32.566 -3.001 17578 3314 1 6 . 1 1 96 96 LYS H H 131 7.881 7.881 8.319 -0.438 17578 3315 1 6 . 1 1 97 97 LYS N N 132 117.399 117.399 121.277 -3.878 17578 3316 1 6 . 1 1 97 97 LYS CA C 132 58.413 58.413 58.213 0.200 17578 3317 1 6 . 1 1 97 97 LYS CB C 132 30.694 30.694 31.723 -1.029 17578 3318 1 6 . 1 1 97 97 LYS H H 132 7.765 7.765 8.384 -0.619 17578 3319 1 6 . 1 1 98 98 LYS N N 133 119.160 119.160 118.252 0.908 17578 3320 1 6 . 1 1 98 98 LYS CA C 133 58.266 58.266 58.531 -0.265 17578 3321 1 6 . 1 1 98 98 LYS CB C 133 30.981 30.981 32.447 -1.466 17578 3322 1 6 . 1 1 98 98 LYS H H 133 8.070 8.070 7.583 0.487 17578 3323 1 6 . 1 1 99 99 ASP N N 134 120.602 120.602 117.074 3.528 17578 3324 1 6 . 1 1 99 99 ASP CA C 134 55.586 55.586 54.229 1.357 17578 3325 1 6 . 1 1 99 99 ASP CB C 134 41.898 41.898 41.193 0.705 17578 3326 1 6 . 1 1 99 99 ASP H H 134 8.255 8.255 7.725 0.530 17578 3327 1 6 . 1 1 100 100 GLY N N 135 108.785 108.785 107.792 0.993 17578 3328 1 6 . 1 1 100 100 GLY CA C 135 45.536 45.536 45.597 -0.061 17578 3329 1 6 . 1 1 100 100 GLY H H 135 8.451 8.451 7.802 0.649 17578 3330 1 6 . 1 1 101 101 LYS N N 136 120.171 120.171 120.060 0.111 17578 3331 1 6 . 1 1 101 101 LYS H H 136 8.127 8.127 7.935 0.192 17578 3332 1 6 . 1 1 102 102 ASN N N 137 118.588 118.588 119.849 -1.261 17578 3333 1 6 . 1 1 102 102 ASN H H 137 8.481 8.481 8.397 0.084 17578 3334 1 6 . 1 1 103 103 LYS N N 138 121.739 121.739 118.677 3.062 17578 3335 1 6 . 1 1 103 103 LYS HA H 138 4.241 4.241 3.836 0.405 17578 3336 1 6 . 1 1 103 103 LYS CA C 138 56.760 56.760 57.687 -0.927 17578 3337 1 6 . 1 1 103 103 LYS CB C 138 32.691 32.691 30.033 2.658 17578 3338 1 6 . 1 1 103 103 LYS H H 138 8.318 8.318 8.684 -0.366 17578 3339 1 6 . 1 1 104 104 GLU N N 139 120.980 120.980 119.568 1.412 17578 3340 1 6 . 1 1 104 104 GLU CA C 139 57.235 57.235 59.605 -2.370 17578 3341 1 6 . 1 1 104 104 GLU CB C 139 29.893 29.893 29.585 0.308 17578 3342 1 6 . 1 1 104 104 GLU H H 139 8.478 8.478 7.805 0.673 17578 3343 1 6 . 1 1 107 107 TYR N N 142 119.214 119.214 122.270 -3.056 17578 3344 1 6 . 1 1 107 107 TYR HA H 142 5.023 5.023 3.785 1.238 17578 3345 1 6 . 1 1 107 107 TYR C C 142 175.419 175.419 176.929 -1.510 17578 3346 1 6 . 1 1 107 107 TYR CA C 142 57.200 57.200 61.650 -4.449 17578 3347 1 6 . 1 1 107 107 TYR CB C 142 39.165 39.165 38.127 1.038 17578 3348 1 6 . 1 1 107 107 TYR H H 142 7.992 7.992 8.460 -0.468 17578 3349 1 6 . 1 1 108 108 LYS N N 143 123.500 123.500 118.482 5.018 17578 3350 1 6 . 1 1 108 108 LYS HA H 143 3.628 3.628 3.601 0.027 17578 3351 1 6 . 1 1 108 108 LYS CA C 143 59.619 59.619 59.203 0.416 17578 3352 1 6 . 1 1 108 108 LYS CB C 143 31.869 31.869 32.188 -0.319 17578 3353 1 6 . 1 1 108 108 LYS H H 143 7.377 7.377 7.931 -0.554 17578 3354 1 6 . 1 1 109 109 GLU N N 144 118.669 118.669 119.616 -0.947 17578 3355 1 6 . 1 1 109 109 GLU HA H 144 4.735 4.735 3.994 0.741 17578 3356 1 6 . 1 1 109 109 GLU CA C 144 59.865 59.865 59.567 0.298 17578 3357 1 6 . 1 1 109 109 GLU CB C 144 29.004 29.004 29.242 -0.238 17578 3358 1 6 . 1 1 109 109 GLU H H 144 8.583 8.583 8.126 0.457 17578 3359 1 6 . 1 1 110 110 SER N N 145 116.081 116.081 115.157 0.924 17578 3360 1 6 . 1 1 110 110 SER HA H 145 4.448 4.448 4.269 0.179 17578 3361 1 6 . 1 1 110 110 SER CB C 145 64.178 64.178 63.062 1.117 17578 3362 1 6 . 1 1 110 110 SER H H 145 8.117 8.117 7.981 0.136 17578 3363 1 6 . 1 1 111 111 PHE N N 146 122.134 122.134 122.522 -0.388 17578 3364 1 6 . 1 1 111 111 PHE HA H 146 4.022 4.022 4.193 -0.171 17578 3365 1 6 . 1 1 111 111 PHE C C 146 175.751 175.751 177.513 -1.762 17578 3366 1 6 . 1 1 111 111 PHE CA C 146 62.159 62.159 59.565 2.594 17578 3367 1 6 . 1 1 111 111 PHE CB C 146 39.533 39.533 37.589 1.944 17578 3368 1 6 . 1 1 111 111 PHE H H 146 8.553 8.553 8.247 0.306 17578 3369 1 6 . 1 1 112 112 ASN N N 147 117.856 117.856 117.688 0.168 17578 3370 1 6 . 1 1 112 112 ASN HA H 147 4.269 4.269 4.290 -0.021 17578 3371 1 6 . 1 1 112 112 ASN CA C 147 55.881 55.881 56.792 -0.911 17578 3372 1 6 . 1 1 112 112 ASN CB C 147 37.663 37.663 38.395 -0.732 17578 3373 1 6 . 1 1 112 112 ASN H H 147 8.809 8.809 8.520 0.289 17578 3374 1 6 . 1 1 113 113 GLU N N 148 119.708 119.708 120.507 -0.799 17578 3375 1 6 . 1 1 113 113 GLU HA H 148 4.021 4.021 4.039 -0.018 17578 3376 1 6 . 1 1 113 113 GLU CA C 148 59.385 59.385 59.518 -0.133 17578 3377 1 6 . 1 1 113 113 GLU CB C 148 29.784 29.784 29.738 0.046 17578 3378 1 6 . 1 1 113 113 GLU H H 148 7.778 7.778 7.854 -0.076 17578 3379 1 6 . 1 1 114 114 VAL N N 149 119.680 119.680 119.345 0.335 17578 3380 1 6 . 1 1 114 114 VAL HA H 149 3.556 3.556 3.718 -0.162 17578 3381 1 6 . 1 1 114 114 VAL CA C 149 66.625 66.625 66.785 -0.160 17578 3382 1 6 . 1 1 114 114 VAL CB C 149 31.368 31.368 31.723 -0.355 17578 3383 1 6 . 1 1 114 114 VAL H H 149 8.023 8.023 8.206 -0.183 17578 3384 1 6 . 1 1 115 115 VAL N N 150 119.684 119.684 116.515 3.169 17578 3385 1 6 . 1 1 115 115 VAL HA H 150 3.163 3.163 3.646 -0.483 17578 3386 1 6 . 1 1 115 115 VAL C C 150 177.270 177.270 178.148 -0.878 17578 3387 1 6 . 1 1 115 115 VAL CA C 150 67.984 67.984 66.067 1.917 17578 3388 1 6 . 1 1 115 115 VAL CB C 150 30.848 30.848 31.314 -0.466 17578 3389 1 6 . 1 1 115 115 VAL H H 150 8.480 8.480 8.548 -0.068 17578 3390 1 6 . 1 1 116 116 LYS N N 151 118.648 118.648 120.185 -1.537 17578 3391 1 6 . 1 1 116 116 LYS HA H 151 4.027 4.027 4.030 -0.003 17578 3392 1 6 . 1 1 116 116 LYS CA C 151 59.691 59.691 59.090 0.601 17578 3393 1 6 . 1 1 116 116 LYS CB C 151 32.346 32.346 31.758 0.588 17578 3394 1 6 . 1 1 116 116 LYS H H 151 7.584 7.584 7.799 -0.215 17578 3395 1 6 . 1 1 117 117 GLU N N 152 120.177 120.177 119.803 0.374 17578 3396 1 6 . 1 1 117 117 GLU HA H 152 4.046 4.046 4.009 0.037 17578 3397 1 6 . 1 1 117 117 GLU CA C 152 59.932 59.932 59.572 0.360 17578 3398 1 6 . 1 1 117 117 GLU CB C 152 29.663 29.663 29.538 0.125 17578 3399 1 6 . 1 1 117 117 GLU H H 152 7.528 7.528 7.878 -0.350 17578 3400 1 6 . 1 1 118 118 VAL N N 153 120.413 120.413 120.029 0.384 17578 3401 1 6 . 1 1 118 118 VAL HA H 153 3.421 3.421 3.824 -0.403 17578 3402 1 6 . 1 1 118 118 VAL CA C 153 67.196 67.196 65.697 1.499 17578 3403 1 6 . 1 1 118 118 VAL CB C 153 31.600 31.600 32.144 -0.544 17578 3404 1 6 . 1 1 118 118 VAL H H 153 8.665 8.665 8.171 0.494 17578 3405 1 6 . 1 1 119 119 GLN N N 154 118.232 118.232 119.138 -0.906 17578 3406 1 6 . 1 1 119 119 GLN HA H 154 3.982 3.982 4.079 -0.097 17578 3407 1 6 . 1 1 119 119 GLN CA C 154 59.651 59.651 58.021 1.630 17578 3408 1 6 . 1 1 119 119 GLN CB C 154 28.478 28.478 28.856 -0.378 17578 3409 1 6 . 1 1 119 119 GLN H H 154 8.950 8.950 7.915 1.035 17578 3410 1 6 . 1 1 120 120 ALA N N 155 120.568 120.568 122.116 -1.548 17578 3411 1 6 . 1 1 120 120 ALA HA H 155 4.223 4.223 4.232 -0.009 17578 3412 1 6 . 1 1 120 120 ALA CA C 155 55.071 55.071 52.863 2.208 17578 3413 1 6 . 1 1 120 120 ALA CB C 155 17.952 17.952 19.503 -1.551 17578 3414 1 6 . 1 1 120 120 ALA H H 155 7.486 7.486 7.887 -0.401 17578 3415 1 7 . 1 1 2 2 LYS N N 37 124.035 124.035 121.713 2.322 17578 3416 1 7 . 1 1 2 2 LYS HA H 37 4.064 4.064 4.292 -0.228 17578 3417 1 7 . 1 1 2 2 LYS H H 37 7.786 7.786 8.396 -0.610 17578 3418 1 7 . 1 1 3 3 LYS HA H 38 4.026 4.026 4.136 -0.110 17578 3419 1 7 . 1 1 3 3 LYS C C 38 179.176 179.176 178.267 0.909 17578 3420 1 7 . 1 1 3 3 LYS CA C 38 59.781 59.781 58.617 1.164 17578 3421 1 7 . 1 1 3 3 LYS CB C 38 32.626 32.626 31.714 0.912 17578 3422 1 7 . 1 1 4 4 LEU N N 39 122.003 122.003 119.841 2.162 17578 3423 1 7 . 1 1 4 4 LEU HA H 39 4.159 4.159 3.880 0.279 17578 3424 1 7 . 1 1 4 4 LEU C C 39 178.232 178.232 178.912 -0.680 17578 3425 1 7 . 1 1 4 4 LEU CA C 39 57.470 57.470 57.956 -0.486 17578 3426 1 7 . 1 1 4 4 LEU CB C 39 40.343 40.343 41.215 -0.872 17578 3427 1 7 . 1 1 4 4 LEU H H 39 7.877 7.877 7.992 -0.115 17578 3428 1 7 . 1 1 5 5 ASN N N 40 118.692 118.692 116.508 2.184 17578 3429 1 7 . 1 1 5 5 ASN HA H 40 3.997 3.997 4.272 -0.275 17578 3430 1 7 . 1 1 5 5 ASN C C 40 176.054 176.054 177.359 -1.305 17578 3431 1 7 . 1 1 5 5 ASN CA C 40 57.622 57.622 56.577 1.045 17578 3432 1 7 . 1 1 5 5 ASN CB C 40 40.113 40.113 38.271 1.842 17578 3433 1 7 . 1 1 5 5 ASN H H 40 9.313 9.313 7.904 1.409 17578 3434 1 7 . 1 1 6 6 LYS N N 41 115.497 115.497 119.600 -4.103 17578 3435 1 7 . 1 1 6 6 LYS HA H 41 3.928 3.928 3.916 0.012 17578 3436 1 7 . 1 1 6 6 LYS C C 41 179.133 179.133 179.003 0.130 17578 3437 1 7 . 1 1 6 6 LYS CA C 41 59.909 59.909 59.232 0.677 17578 3438 1 7 . 1 1 6 6 LYS CB C 41 32.256 32.256 31.940 0.316 17578 3439 1 7 . 1 1 6 6 LYS H H 41 7.230 7.230 7.617 -0.387 17578 3440 1 7 . 1 1 7 7 LYS N N 42 118.961 118.961 119.625 -0.664 17578 3441 1 7 . 1 1 7 7 LYS HA H 42 4.040 4.040 4.015 0.025 17578 3442 1 7 . 1 1 7 7 LYS C C 42 180.272 180.272 179.341 0.931 17578 3443 1 7 . 1 1 7 7 LYS CA C 42 59.988 59.988 59.525 0.463 17578 3444 1 7 . 1 1 7 7 LYS CB C 42 33.462 33.462 32.396 1.066 17578 3445 1 7 . 1 1 7 7 LYS H H 42 7.367 7.367 7.994 -0.627 17578 3446 1 7 . 1 1 8 8 VAL N N 43 122.400 122.400 120.423 1.977 17578 3447 1 7 . 1 1 8 8 VAL HA H 43 3.303 3.303 3.871 -0.568 17578 3448 1 7 . 1 1 8 8 VAL CA C 43 67.430 67.430 66.834 0.596 17578 3449 1 7 . 1 1 8 8 VAL CB C 43 31.374 31.374 31.728 -0.354 17578 3450 1 7 . 1 1 8 8 VAL H H 43 9.215 9.215 8.107 1.108 17578 3451 1 7 . 1 1 9 9 LEU N N 44 119.626 119.626 121.113 -1.487 17578 3452 1 7 . 1 1 9 9 LEU HA H 44 3.833 3.833 4.046 -0.213 17578 3453 1 7 . 1 1 9 9 LEU CA C 44 58.453 58.453 58.187 0.266 17578 3454 1 7 . 1 1 9 9 LEU CB C 44 41.171 41.171 40.913 0.258 17578 3455 1 7 . 1 1 9 9 LEU H H 44 8.471 8.471 8.298 0.173 17578 3456 1 7 . 1 1 10 10 LYS N N 45 119.761 119.761 118.743 1.018 17578 3457 1 7 . 1 1 10 10 LYS HA H 45 4.026 4.026 4.055 -0.029 17578 3458 1 7 . 1 1 10 10 LYS CA C 45 59.919 59.919 59.039 0.880 17578 3459 1 7 . 1 1 10 10 LYS CB C 45 32.430 32.430 31.610 0.820 17578 3460 1 7 . 1 1 10 10 LYS H H 45 7.883 7.883 8.248 -0.365 17578 3461 1 7 . 1 1 11 11 THR N N 46 116.469 116.469 117.424 -0.955 17578 3462 1 7 . 1 1 11 11 THR HA H 46 4.339 4.339 3.908 0.431 17578 3463 1 7 . 1 1 11 11 THR C C 46 175.987 175.987 176.328 -0.341 17578 3464 1 7 . 1 1 11 11 THR CB C 46 68.013 68.013 68.151 -0.138 17578 3465 1 7 . 1 1 11 11 THR H H 46 7.805 7.805 8.199 -0.394 17578 3466 1 7 . 1 1 12 12 VAL N N 47 121.907 121.907 121.475 0.432 17578 3467 1 7 . 1 1 12 12 VAL HA H 47 3.232 3.232 3.854 -0.622 17578 3468 1 7 . 1 1 12 12 VAL CA C 47 67.331 67.331 65.674 1.657 17578 3469 1 7 . 1 1 12 12 VAL CB C 47 31.438 31.438 31.549 -0.111 17578 3470 1 7 . 1 1 12 12 VAL H H 47 8.782 8.782 8.286 0.496 17578 3471 1 7 . 1 1 13 13 LYS N N 48 122.393 122.393 118.918 3.475 17578 3472 1 7 . 1 1 13 13 LYS HA H 48 4.258 4.258 4.072 0.186 17578 3473 1 7 . 1 1 13 13 LYS C C 48 179.808 179.808 179.108 0.700 17578 3474 1 7 . 1 1 13 13 LYS CA C 48 59.999 59.999 59.373 0.626 17578 3475 1 7 . 1 1 13 13 LYS CB C 48 32.553 32.553 32.064 0.489 17578 3476 1 7 . 1 1 13 13 LYS H H 48 8.171 8.171 8.053 0.118 17578 3477 1 7 . 1 1 14 14 LYS N N 49 118.852 118.852 118.840 0.012 17578 3478 1 7 . 1 1 14 14 LYS HA H 49 3.973 3.973 4.169 -0.196 17578 3479 1 7 . 1 1 14 14 LYS CA C 49 59.811 59.811 58.672 1.139 17578 3480 1 7 . 1 1 14 14 LYS CB C 49 33.389 33.389 32.725 0.664 17578 3481 1 7 . 1 1 14 14 LYS H H 49 7.941 7.941 7.841 0.100 17578 3482 1 7 . 1 1 15 15 ALA N N 50 122.047 122.047 122.107 -0.060 17578 3483 1 7 . 1 1 15 15 ALA HA H 50 3.496 3.496 4.118 -0.622 17578 3484 1 7 . 1 1 15 15 ALA CA C 50 54.709 54.709 54.378 0.331 17578 3485 1 7 . 1 1 15 15 ALA CB C 50 18.917 18.917 18.084 0.833 17578 3486 1 7 . 1 1 15 15 ALA H H 50 8.544 8.544 8.050 0.494 17578 3487 1 7 . 1 1 16 16 SER N N 51 116.561 116.561 114.505 2.056 17578 3488 1 7 . 1 1 16 16 SER HA H 51 4.730 4.730 4.126 0.604 17578 3489 1 7 . 1 1 16 16 SER C C 51 178.560 178.560 176.992 1.568 17578 3490 1 7 . 1 1 16 16 SER CA C 51 61.680 61.680 62.150 -0.470 17578 3491 1 7 . 1 1 16 16 SER CB C 51 62.551 62.551 62.941 -0.390 17578 3492 1 7 . 1 1 16 16 SER H H 51 8.551 8.551 8.249 0.302 17578 3493 1 7 . 1 1 17 17 LYS N N 52 124.890 124.890 120.495 4.395 17578 3494 1 7 . 1 1 17 17 LYS HA H 52 4.072 4.072 4.116 -0.044 17578 3495 1 7 . 1 1 17 17 LYS C C 52 177.377 177.377 177.111 0.266 17578 3496 1 7 . 1 1 17 17 LYS CA C 52 58.931 58.931 58.234 0.697 17578 3497 1 7 . 1 1 17 17 LYS CB C 52 31.961 31.961 32.119 -0.158 17578 3498 1 7 . 1 1 17 17 LYS H H 52 7.578 7.578 7.735 -0.157 17578 3499 1 7 . 1 1 18 18 ALA N N 53 118.628 118.628 118.951 -0.323 17578 3500 1 7 . 1 1 18 18 ALA HA H 53 4.285 4.285 4.389 -0.104 17578 3501 1 7 . 1 1 18 18 ALA C C 53 175.061 175.061 176.540 -1.479 17578 3502 1 7 . 1 1 18 18 ALA CA C 53 51.822 51.822 51.082 0.740 17578 3503 1 7 . 1 1 18 18 ALA CB C 53 19.390 19.390 19.201 0.189 17578 3504 1 7 . 1 1 18 18 ALA H H 53 7.112 7.112 7.468 -0.356 17578 3505 1 7 . 1 1 19 19 LYS N N 54 111.984 111.984 116.376 -4.392 17578 3506 1 7 . 1 1 19 19 LYS HA H 54 4.026 4.026 3.933 0.093 17578 3507 1 7 . 1 1 19 19 LYS CA C 54 57.222 57.222 57.170 0.052 17578 3508 1 7 . 1 1 19 19 LYS CB C 54 28.387 28.387 30.401 -2.014 17578 3509 1 7 . 1 1 19 19 LYS H H 54 7.653 7.653 8.045 -0.392 17578 3510 1 7 . 1 1 20 20 ASN N N 55 116.088 116.088 114.581 1.507 17578 3511 1 7 . 1 1 20 20 ASN HA H 55 5.102 5.102 4.854 0.248 17578 3512 1 7 . 1 1 20 20 ASN C C 55 172.975 172.975 174.544 -1.569 17578 3513 1 7 . 1 1 20 20 ASN CA C 55 51.215 51.215 52.766 -1.551 17578 3514 1 7 . 1 1 20 20 ASN CB C 55 40.316 40.316 39.113 1.203 17578 3515 1 7 . 1 1 20 20 ASN H H 55 8.118 8.118 7.708 0.410 17578 3516 1 7 . 1 1 21 21 VAL N N 56 114.959 114.959 117.585 -2.626 17578 3517 1 7 . 1 1 21 21 VAL HA H 56 4.938 4.938 4.081 0.857 17578 3518 1 7 . 1 1 21 21 VAL C C 56 175.409 175.409 173.690 1.719 17578 3519 1 7 . 1 1 21 21 VAL CA C 56 60.901 60.901 60.180 0.721 17578 3520 1 7 . 1 1 21 21 VAL CB C 56 35.368 35.368 34.212 1.156 17578 3521 1 7 . 1 1 21 21 VAL H H 56 7.628 7.628 7.489 0.139 17578 3522 1 7 . 1 1 22 22 LYS N N 57 126.485 126.485 126.521 -0.036 17578 3523 1 7 . 1 1 22 22 LYS HA H 57 4.712 4.712 4.710 0.002 17578 3524 1 7 . 1 1 22 22 LYS C C 57 175.394 175.394 174.449 0.945 17578 3525 1 7 . 1 1 22 22 LYS CA C 57 54.485 54.485 54.100 0.385 17578 3526 1 7 . 1 1 22 22 LYS CB C 57 33.669 33.669 36.682 -3.013 17578 3527 1 7 . 1 1 22 22 LYS H H 57 8.987 8.987 8.562 0.425 17578 3528 1 7 . 1 1 23 23 ARG N N 58 122.011 122.011 122.005 0.006 17578 3529 1 7 . 1 1 23 23 ARG HA H 58 4.837 4.837 4.809 0.028 17578 3530 1 7 . 1 1 23 23 ARG C C 58 175.930 175.930 175.599 0.331 17578 3531 1 7 . 1 1 23 23 ARG CA C 58 55.872 55.872 54.998 0.874 17578 3532 1 7 . 1 1 23 23 ARG CB C 58 33.513 33.513 32.509 1.004 17578 3533 1 7 . 1 1 23 23 ARG H H 58 9.024 9.024 8.683 0.341 17578 3534 1 7 . 1 1 24 24 GLY N N 59 111.007 111.007 111.241 -0.234 17578 3535 1 7 . 1 1 24 24 GLY CA C 59 44.790 44.790 44.504 0.286 17578 3536 1 7 . 1 1 24 24 GLY H H 59 8.315 8.315 8.813 -0.498 17578 3537 1 7 . 1 1 25 25 VAL N N 60 119.423 119.423 122.524 -3.101 17578 3538 1 7 . 1 1 25 25 VAL HA H 60 3.156 3.156 3.470 -0.314 17578 3539 1 7 . 1 1 25 25 VAL C C 60 176.562 176.562 176.843 -0.281 17578 3540 1 7 . 1 1 25 25 VAL CA C 60 68.037 68.037 65.511 2.526 17578 3541 1 7 . 1 1 25 25 VAL CB C 60 32.050 32.050 31.984 0.066 17578 3542 1 7 . 1 1 25 25 VAL H H 60 8.152 8.152 8.748 -0.596 17578 3543 1 7 . 1 1 26 26 LYS N N 61 117.316 117.316 118.447 -1.131 17578 3544 1 7 . 1 1 26 26 LYS HA H 61 3.919 3.919 4.047 -0.128 17578 3545 1 7 . 1 1 26 26 LYS C C 61 180.130 180.130 178.599 1.531 17578 3546 1 7 . 1 1 26 26 LYS CA C 61 60.157 60.157 59.681 0.476 17578 3547 1 7 . 1 1 26 26 LYS CB C 61 32.041 32.041 31.965 0.076 17578 3548 1 7 . 1 1 26 26 LYS H H 61 8.156 8.156 8.578 -0.422 17578 3549 1 7 . 1 1 27 27 GLU N N 62 117.535 117.535 119.153 -1.618 17578 3550 1 7 . 1 1 27 27 GLU HA H 62 3.961 3.961 4.204 -0.243 17578 3551 1 7 . 1 1 27 27 GLU CA C 62 58.787 58.787 59.053 -0.266 17578 3552 1 7 . 1 1 27 27 GLU CB C 62 29.843 29.843 29.201 0.642 17578 3553 1 7 . 1 1 27 27 GLU H H 62 8.531 8.531 7.529 1.002 17578 3554 1 7 . 1 1 28 28 VAL N N 63 120.589 120.589 117.974 2.615 17578 3555 1 7 . 1 1 28 28 VAL HA H 63 3.498 3.498 2.642 0.856 17578 3556 1 7 . 1 1 28 28 VAL CA C 63 68.099 68.099 65.350 2.749 17578 3557 1 7 . 1 1 28 28 VAL CB C 63 31.376 31.376 30.243 1.133 17578 3558 1 7 . 1 1 28 28 VAL H H 63 8.255 8.255 7.984 0.271 17578 3559 1 7 . 1 1 29 29 VAL N N 64 118.570 118.570 120.464 -1.894 17578 3560 1 7 . 1 1 29 29 VAL HA H 64 3.359 3.359 3.446 -0.087 17578 3561 1 7 . 1 1 29 29 VAL C C 64 177.549 177.549 177.842 -0.293 17578 3562 1 7 . 1 1 29 29 VAL CA C 64 67.456 67.456 66.827 0.629 17578 3563 1 7 . 1 1 29 29 VAL CB C 64 31.233 31.233 31.116 0.117 17578 3564 1 7 . 1 1 29 29 VAL H H 64 8.535 8.535 7.983 0.552 17578 3565 1 7 . 1 1 30 30 LYS N N 65 117.926 117.926 120.124 -2.198 17578 3566 1 7 . 1 1 30 30 LYS HA H 65 3.875 3.875 3.862 0.013 17578 3567 1 7 . 1 1 30 30 LYS CA C 65 59.811 59.811 59.976 -0.165 17578 3568 1 7 . 1 1 30 30 LYS CB C 65 32.715 32.715 32.249 0.466 17578 3569 1 7 . 1 1 30 30 LYS H H 65 7.538 7.538 7.768 -0.230 17578 3570 1 7 . 1 1 31 31 ALA N N 66 120.475 120.475 120.956 -0.481 17578 3571 1 7 . 1 1 31 31 ALA HA H 66 4.071 4.071 4.199 -0.128 17578 3572 1 7 . 1 1 31 31 ALA C C 66 179.596 179.596 179.429 0.167 17578 3573 1 7 . 1 1 31 31 ALA CA C 66 55.051 55.051 54.712 0.339 17578 3574 1 7 . 1 1 31 31 ALA CB C 66 18.901 18.901 18.256 0.645 17578 3575 1 7 . 1 1 31 31 ALA H H 66 7.496 7.496 7.810 -0.314 17578 3576 1 7 . 1 1 32 32 LEU N N 67 119.357 119.357 120.029 -0.672 17578 3577 1 7 . 1 1 32 32 LEU HA H 67 3.854 3.854 3.786 0.068 17578 3578 1 7 . 1 1 32 32 LEU CA C 67 57.859 57.859 57.584 0.275 17578 3579 1 7 . 1 1 32 32 LEU CB C 67 42.442 42.442 41.867 0.575 17578 3580 1 7 . 1 1 32 32 LEU H H 67 8.376 8.376 7.771 0.605 17578 3581 1 7 . 1 1 33 33 ARG N N 68 116.045 116.045 116.968 -0.923 17578 3582 1 7 . 1 1 33 33 ARG HA H 68 3.802 3.802 3.978 -0.176 17578 3583 1 7 . 1 1 33 33 ARG CA C 68 59.306 59.306 58.136 1.170 17578 3584 1 7 . 1 1 33 33 ARG CB C 68 29.759 29.759 30.501 -0.742 17578 3585 1 7 . 1 1 33 33 ARG H H 68 8.091 8.091 7.864 0.227 17578 3586 1 7 . 1 1 34 34 LYS N N 69 117.845 117.845 117.509 0.336 17578 3587 1 7 . 1 1 34 34 LYS HA H 69 4.255 4.255 4.163 0.092 17578 3588 1 7 . 1 1 34 34 LYS C C 69 176.831 176.831 177.895 -1.064 17578 3589 1 7 . 1 1 34 34 LYS CA C 69 56.548 56.548 57.815 -1.267 17578 3590 1 7 . 1 1 34 34 LYS CB C 69 32.710 32.710 33.160 -0.450 17578 3591 1 7 . 1 1 34 34 LYS H H 69 7.616 7.616 7.936 -0.320 17578 3592 1 7 . 1 1 35 35 GLY N N 70 106.783 106.783 105.070 1.713 17578 3593 1 7 . 1 1 35 35 GLY CA C 70 45.537 45.537 45.303 0.234 17578 3594 1 7 . 1 1 35 35 GLY H H 70 7.739 7.739 8.506 -0.767 17578 3595 1 7 . 1 1 36 36 GLU N N 71 119.424 119.424 119.713 -0.289 17578 3596 1 7 . 1 1 36 36 GLU HA H 71 4.226 4.226 4.368 -0.142 17578 3597 1 7 . 1 1 36 36 GLU C C 71 175.400 175.400 177.005 -1.605 17578 3598 1 7 . 1 1 36 36 GLU CA C 71 57.414 57.414 55.584 1.830 17578 3599 1 7 . 1 1 36 36 GLU CB C 71 29.442 29.442 28.692 0.750 17578 3600 1 7 . 1 1 36 36 GLU H H 71 7.698 7.698 8.808 -1.110 17578 3601 1 7 . 1 1 37 37 LYS N N 72 118.290 118.290 120.814 -2.524 17578 3602 1 7 . 1 1 37 37 LYS HA H 72 4.903 4.903 4.323 0.580 17578 3603 1 7 . 1 1 37 37 LYS C C 72 175.809 175.809 176.703 -0.894 17578 3604 1 7 . 1 1 37 37 LYS CA C 72 53.791 53.791 57.075 -3.284 17578 3605 1 7 . 1 1 37 37 LYS CB C 72 34.781 34.781 31.976 2.805 17578 3606 1 7 . 1 1 37 37 LYS H H 72 8.223 8.223 7.416 0.807 17578 3607 1 7 . 1 1 38 38 GLY N N 73 104.682 104.682 109.483 -4.801 17578 3608 1 7 . 1 1 38 38 GLY C C 73 171.884 171.884 173.700 -1.816 17578 3609 1 7 . 1 1 38 38 GLY CA C 73 46.360 46.360 45.010 1.350 17578 3610 1 7 . 1 1 38 38 GLY H H 73 7.217 7.217 8.301 -1.084 17578 3611 1 7 . 1 1 39 39 LEU N N 74 125.372 125.372 122.242 3.130 17578 3612 1 7 . 1 1 39 39 LEU HA H 74 4.994 4.994 4.749 0.245 17578 3613 1 7 . 1 1 39 39 LEU C C 74 174.380 174.380 175.940 -1.560 17578 3614 1 7 . 1 1 39 39 LEU CA C 74 54.363 54.363 53.325 1.038 17578 3615 1 7 . 1 1 39 39 LEU CB C 74 47.028 47.028 44.252 2.776 17578 3616 1 7 . 1 1 39 39 LEU H H 74 8.945 8.945 8.158 0.787 17578 3617 1 7 . 1 1 40 40 VAL N N 75 130.967 130.967 124.011 6.956 17578 3618 1 7 . 1 1 40 40 VAL HA H 75 4.644 4.644 4.295 0.349 17578 3619 1 7 . 1 1 40 40 VAL C C 75 173.667 173.667 175.252 -1.585 17578 3620 1 7 . 1 1 40 40 VAL CA C 75 62.273 62.273 62.825 -0.552 17578 3621 1 7 . 1 1 40 40 VAL CB C 75 32.591 32.591 32.826 -0.235 17578 3622 1 7 . 1 1 40 40 VAL H H 75 8.551 8.551 8.570 -0.019 17578 3623 1 7 . 1 1 41 41 VAL N N 76 127.493 127.493 127.144 0.349 17578 3624 1 7 . 1 1 41 41 VAL HA H 76 4.660 4.660 4.419 0.241 17578 3625 1 7 . 1 1 41 41 VAL C C 76 173.669 173.669 174.769 -1.100 17578 3626 1 7 . 1 1 41 41 VAL CA C 76 60.899 60.899 61.564 -0.665 17578 3627 1 7 . 1 1 41 41 VAL CB C 76 33.346 33.346 33.982 -0.636 17578 3628 1 7 . 1 1 41 41 VAL H H 76 8.804 8.804 9.179 -0.375 17578 3629 1 7 . 1 1 42 42 ILE N N 77 125.646 125.646 126.994 -1.348 17578 3630 1 7 . 1 1 42 42 ILE HA H 77 4.444 4.444 4.513 -0.069 17578 3631 1 7 . 1 1 42 42 ILE C C 77 174.817 174.817 174.494 0.323 17578 3632 1 7 . 1 1 42 42 ILE CA C 77 59.700 59.700 58.404 1.296 17578 3633 1 7 . 1 1 42 42 ILE CB C 77 39.977 39.977 39.744 0.233 17578 3634 1 7 . 1 1 42 42 ILE H H 77 8.613 8.613 8.629 -0.016 17578 3635 1 7 . 1 1 43 43 ALA N N 78 128.691 128.691 129.803 -1.112 17578 3636 1 7 . 1 1 43 43 ALA HA H 78 4.459 4.459 5.326 -0.867 17578 3637 1 7 . 1 1 43 43 ALA C C 78 177.584 177.584 178.457 -0.873 17578 3638 1 7 . 1 1 43 43 ALA CA C 78 52.372 52.372 50.170 2.202 17578 3639 1 7 . 1 1 43 43 ALA CB C 78 19.504 19.504 19.639 -0.135 17578 3640 1 7 . 1 1 43 43 ALA H H 78 8.565 8.565 8.063 0.502 17578 3641 1 7 . 1 1 44 44 GLY N N 79 103.957 103.957 109.835 -5.878 17578 3642 1 7 . 1 1 44 44 GLY C C 79 173.252 173.252 174.282 -1.030 17578 3643 1 7 . 1 1 44 44 GLY CA C 79 45.764 45.764 46.082 -0.318 17578 3644 1 7 . 1 1 44 44 GLY H H 79 9.083 9.083 8.944 0.139 17578 3645 1 7 . 1 1 45 45 ASP N N 80 118.632 118.632 121.060 -2.428 17578 3646 1 7 . 1 1 45 45 ASP HA H 80 4.918 4.918 4.737 0.181 17578 3647 1 7 . 1 1 45 45 ASP CA C 80 52.689 52.689 53.583 -0.894 17578 3648 1 7 . 1 1 45 45 ASP CB C 80 39.118 39.118 40.716 -1.598 17578 3649 1 7 . 1 1 45 45 ASP H H 80 8.695 8.695 8.115 0.580 17578 3650 1 7 . 1 1 46 46 ILE N N 81 117.935 117.935 118.722 -0.787 17578 3651 1 7 . 1 1 46 46 ILE HA H 81 4.179 4.179 3.898 0.281 17578 3652 1 7 . 1 1 46 46 ILE C C 81 172.890 172.890 173.949 -1.059 17578 3653 1 7 . 1 1 46 46 ILE CA C 81 59.242 59.242 59.916 -0.674 17578 3654 1 7 . 1 1 46 46 ILE CB C 81 39.253 39.253 41.603 -2.350 17578 3655 1 7 . 1 1 46 46 ILE H H 81 6.730 6.730 7.215 -0.485 17578 3656 1 7 . 1 1 47 47 TRP N N 82 123.585 123.585 124.590 -1.005 17578 3657 1 7 . 1 1 47 47 TRP HA H 82 4.587 4.587 5.247 -0.660 17578 3658 1 7 . 1 1 47 47 TRP CA C 82 55.386 55.386 53.848 1.538 17578 3659 1 7 . 1 1 47 47 TRP CB C 82 32.147 32.147 28.654 3.493 17578 3660 1 7 . 1 1 47 47 TRP H H 82 7.804 7.804 7.592 0.212 17578 3661 1 7 . 1 1 48 48 PRO HA H 83 4.248 4.248 4.654 -0.406 17578 3662 1 7 . 1 1 48 48 PRO CA C 83 62.712 62.712 62.134 0.578 17578 3663 1 7 . 1 1 48 48 PRO CB C 83 34.011 34.011 32.720 1.291 17578 3664 1 7 . 1 1 49 49 ALA N N 84 121.827 121.827 119.909 1.918 17578 3665 1 7 . 1 1 49 49 ALA HA H 84 3.969 3.969 4.270 -0.301 17578 3666 1 7 . 1 1 49 49 ALA CA C 84 54.183 54.183 52.999 1.183 17578 3667 1 7 . 1 1 49 49 ALA CB C 84 19.404 19.404 18.583 0.821 17578 3668 1 7 . 1 1 49 49 ALA H H 84 8.198 8.198 8.500 -0.302 17578 3669 1 7 . 1 1 50 50 ASP N N 85 114.049 114.049 119.842 -5.793 17578 3670 1 7 . 1 1 50 50 ASP HA H 85 4.301 4.301 4.391 -0.090 17578 3671 1 7 . 1 1 50 50 ASP C C 85 177.428 177.428 178.113 -0.685 17578 3672 1 7 . 1 1 50 50 ASP CA C 85 55.777 55.777 57.368 -1.591 17578 3673 1 7 . 1 1 50 50 ASP CB C 85 40.060 40.060 40.597 -0.537 17578 3674 1 7 . 1 1 50 50 ASP H H 85 8.008 8.008 8.611 -0.603 17578 3675 1 7 . 1 1 51 51 VAL N N 86 116.790 116.790 117.047 -0.257 17578 3676 1 7 . 1 1 51 51 VAL HA H 86 3.841 3.841 3.668 0.173 17578 3677 1 7 . 1 1 51 51 VAL C C 86 176.231 176.231 177.361 -1.130 17578 3678 1 7 . 1 1 51 51 VAL CA C 86 65.332 65.332 65.273 0.059 17578 3679 1 7 . 1 1 51 51 VAL CB C 86 32.123 32.123 30.737 1.386 17578 3680 1 7 . 1 1 51 51 VAL H H 86 7.542 7.542 7.379 0.163 17578 3681 1 7 . 1 1 52 52 ILE N N 87 107.529 107.529 119.621 -12.092 17578 3682 1 7 . 1 1 52 52 ILE HA H 87 4.638 4.638 3.651 0.987 17578 3683 1 7 . 1 1 52 52 ILE C C 87 178.026 178.026 178.076 -0.050 17578 3684 1 7 . 1 1 52 52 ILE CA C 87 59.806 59.806 64.541 -4.735 17578 3685 1 7 . 1 1 52 52 ILE CB C 87 40.742 40.742 37.350 3.392 17578 3686 1 7 . 1 1 52 52 ILE H H 87 7.310 7.310 8.057 -0.747 17578 3687 1 7 . 1 1 53 53 SER N N 88 116.004 116.004 114.366 1.638 17578 3688 1 7 . 1 1 53 53 SER HA H 88 4.566 4.566 4.330 0.236 17578 3689 1 7 . 1 1 53 53 SER CA C 88 61.760 61.760 60.027 1.733 17578 3690 1 7 . 1 1 53 53 SER CB C 88 62.391 62.391 63.367 -0.976 17578 3691 1 7 . 1 1 53 53 SER H H 88 7.827 7.827 7.975 -0.148 17578 3692 1 7 . 1 1 54 54 HIS HA H 89 4.572 4.572 4.348 0.224 17578 3693 1 7 . 1 1 54 54 HIS CA C 89 56.789 56.789 59.511 -2.722 17578 3694 1 7 . 1 1 54 54 HIS CB C 89 30.527 30.527 29.712 0.815 17578 3695 1 7 . 1 1 55 55 ILE N N 90 120.579 120.579 120.215 0.364 17578 3696 1 7 . 1 1 55 55 ILE HA H 90 3.512 3.512 3.720 -0.208 17578 3697 1 7 . 1 1 55 55 ILE CA C 90 65.424 65.424 66.456 -1.032 17578 3698 1 7 . 1 1 55 55 ILE CB C 90 34.176 34.176 35.028 -0.852 17578 3699 1 7 . 1 1 55 55 ILE H H 90 7.764 7.764 8.004 -0.240 17578 3700 1 7 . 1 1 56 56 PRO HA H 91 2.942 2.942 4.378 -1.436 17578 3701 1 7 . 1 1 56 56 PRO C C 91 177.032 177.032 178.927 -1.895 17578 3702 1 7 . 1 1 56 56 PRO CA C 91 66.842 66.842 65.818 1.024 17578 3703 1 7 . 1 1 56 56 PRO CB C 91 31.206 31.206 31.372 -0.166 17578 3704 1 7 . 1 1 57 57 VAL N N 92 114.379 114.379 119.123 -4.744 17578 3705 1 7 . 1 1 57 57 VAL HA H 92 3.574 3.574 3.754 -0.180 17578 3706 1 7 . 1 1 57 57 VAL CA C 92 65.900 65.900 65.645 0.255 17578 3707 1 7 . 1 1 57 57 VAL CB C 92 31.600 31.600 31.797 -0.197 17578 3708 1 7 . 1 1 57 57 VAL H H 92 6.497 6.497 7.658 -1.161 17578 3709 1 7 . 1 1 58 58 LEU N N 93 120.522 120.522 119.397 1.125 17578 3710 1 7 . 1 1 58 58 LEU HA H 93 4.227 4.227 4.120 0.107 17578 3711 1 7 . 1 1 58 58 LEU C C 93 180.251 180.251 178.154 2.097 17578 3712 1 7 . 1 1 58 58 LEU CA C 93 57.838 57.838 58.015 -0.177 17578 3713 1 7 . 1 1 58 58 LEU CB C 93 43.172 43.172 41.247 1.925 17578 3714 1 7 . 1 1 58 58 LEU H H 93 7.460 7.460 7.629 -0.169 17578 3715 1 7 . 1 1 59 59 CYS N N 94 117.195 117.195 118.480 -1.285 17578 3716 1 7 . 1 1 59 59 CYS HA H 94 3.867 3.867 4.359 -0.492 17578 3717 1 7 . 1 1 59 59 CYS C C 94 176.362 176.362 176.819 -0.457 17578 3718 1 7 . 1 1 59 59 CYS CA C 94 65.379 65.379 63.363 2.016 17578 3719 1 7 . 1 1 59 59 CYS CB C 94 26.344 26.344 27.377 -1.033 17578 3720 1 7 . 1 1 59 59 CYS H H 94 8.335 8.335 8.081 0.254 17578 3721 1 7 . 1 1 60 60 GLU N N 95 120.777 120.777 119.457 1.320 17578 3722 1 7 . 1 1 60 60 GLU HA H 95 4.209 4.209 4.102 0.107 17578 3723 1 7 . 1 1 60 60 GLU CA C 95 59.760 59.760 58.713 1.047 17578 3724 1 7 . 1 1 60 60 GLU CB C 95 29.201 29.201 29.586 -0.385 17578 3725 1 7 . 1 1 60 60 GLU H H 95 8.235 8.235 8.294 -0.059 17578 3726 1 7 . 1 1 61 61 ASP N N 96 120.910 120.910 118.208 2.702 17578 3727 1 7 . 1 1 61 61 ASP HA H 96 4.292 4.292 4.613 -0.321 17578 3728 1 7 . 1 1 61 61 ASP C C 96 177.890 177.890 177.373 0.517 17578 3729 1 7 . 1 1 61 61 ASP CA C 96 57.235 57.235 56.187 1.048 17578 3730 1 7 . 1 1 61 61 ASP CB C 96 40.580 40.580 41.456 -0.876 17578 3731 1 7 . 1 1 61 61 ASP H H 96 8.509 8.509 7.766 0.743 17578 3732 1 7 . 1 1 62 62 HIS N N 97 115.923 115.923 116.975 -1.052 17578 3733 1 7 . 1 1 62 62 HIS HA H 97 4.495 4.495 4.779 -0.284 17578 3734 1 7 . 1 1 62 62 HIS C C 97 173.548 173.548 174.383 -0.835 17578 3735 1 7 . 1 1 62 62 HIS CA C 97 57.290 57.290 55.763 1.527 17578 3736 1 7 . 1 1 62 62 HIS CB C 97 29.997 29.997 32.400 -2.403 17578 3737 1 7 . 1 1 62 62 HIS H H 97 7.635 7.635 7.946 -0.311 17578 3738 1 7 . 1 1 63 63 SER N N 98 114.634 114.634 113.049 1.585 17578 3739 1 7 . 1 1 63 63 SER HA H 98 4.489 4.489 4.161 0.328 17578 3740 1 7 . 1 1 63 63 SER C C 98 173.949 173.949 172.549 1.400 17578 3741 1 7 . 1 1 63 63 SER CA C 98 58.842 58.842 58.861 -0.019 17578 3742 1 7 . 1 1 63 63 SER CB C 98 61.396 61.396 62.514 -1.118 17578 3743 1 7 . 1 1 63 63 SER H H 98 7.888 7.888 7.879 0.009 17578 3744 1 7 . 1 1 64 64 VAL N N 99 123.090 123.090 123.292 -0.202 17578 3745 1 7 . 1 1 64 64 VAL HA H 99 4.721 4.721 4.372 0.349 17578 3746 1 7 . 1 1 64 64 VAL CA C 99 58.978 58.978 58.743 0.235 17578 3747 1 7 . 1 1 64 64 VAL CB C 99 35.228 35.228 34.866 0.362 17578 3748 1 7 . 1 1 64 64 VAL H H 99 8.590 8.590 7.816 0.774 17578 3749 1 7 . 1 1 65 65 PRO HA H 100 4.263 4.263 4.080 0.183 17578 3750 1 7 . 1 1 65 65 PRO C C 100 173.191 173.191 175.635 -2.444 17578 3751 1 7 . 1 1 65 65 PRO CA C 100 63.427 63.427 62.568 0.859 17578 3752 1 7 . 1 1 65 65 PRO CB C 100 31.863 31.863 32.012 -0.149 17578 3753 1 7 . 1 1 66 66 TYR N N 101 114.702 114.702 119.777 -5.075 17578 3754 1 7 . 1 1 66 66 TYR HA H 101 5.925 5.925 5.511 0.414 17578 3755 1 7 . 1 1 66 66 TYR CA C 101 53.501 53.501 55.346 -1.845 17578 3756 1 7 . 1 1 66 66 TYR CB C 101 41.793 41.793 41.448 0.345 17578 3757 1 7 . 1 1 66 66 TYR H H 101 6.243 6.243 7.203 -0.960 17578 3758 1 7 . 1 1 67 67 ILE N N 102 111.885 111.885 117.678 -5.793 17578 3759 1 7 . 1 1 67 67 ILE HA H 102 4.502 4.502 4.434 0.068 17578 3760 1 7 . 1 1 67 67 ILE C C 102 172.358 172.358 174.359 -2.001 17578 3761 1 7 . 1 1 67 67 ILE CA C 102 55.442 55.442 60.248 -4.806 17578 3762 1 7 . 1 1 67 67 ILE CB C 102 43.124 43.124 42.429 0.695 17578 3763 1 7 . 1 1 67 67 ILE H H 102 7.986 7.986 8.394 -0.408 17578 3764 1 7 . 1 1 68 68 PHE N N 103 122.274 122.274 129.111 -6.837 17578 3765 1 7 . 1 1 68 68 PHE HA H 103 5.087 5.087 4.763 0.324 17578 3766 1 7 . 1 1 68 68 PHE C C 103 176.173 176.173 174.550 1.623 17578 3767 1 7 . 1 1 68 68 PHE CA C 103 56.103 56.103 56.849 -0.746 17578 3768 1 7 . 1 1 68 68 PHE CB C 103 39.891 39.891 39.094 0.797 17578 3769 1 7 . 1 1 68 68 PHE H H 103 8.108 8.108 8.741 -0.633 17578 3770 1 7 . 1 1 69 69 ILE N N 104 114.613 114.613 121.821 -7.208 17578 3771 1 7 . 1 1 69 69 ILE HA H 104 4.927 4.927 4.583 0.344 17578 3772 1 7 . 1 1 69 69 ILE CA C 104 57.831 57.831 57.735 0.096 17578 3773 1 7 . 1 1 69 69 ILE CB C 104 38.302 38.302 39.548 -1.246 17578 3774 1 7 . 1 1 69 69 ILE H H 104 8.843 8.843 8.284 0.559 17578 3775 1 7 . 1 1 70 70 PRO HA H 105 4.093 4.093 4.547 -0.454 17578 3776 1 7 . 1 1 70 70 PRO CA C 105 66.439 66.439 62.713 3.726 17578 3777 1 7 . 1 1 70 70 PRO CB C 105 32.879 32.879 32.439 0.440 17578 3778 1 7 . 1 1 71 71 SER N N 106 106.896 106.896 111.657 -4.761 17578 3779 1 7 . 1 1 71 71 SER HA H 106 5.227 5.227 4.486 0.741 17578 3780 1 7 . 1 1 71 71 SER CA C 106 55.373 55.373 59.388 -4.014 17578 3781 1 7 . 1 1 71 71 SER CB C 106 64.696 64.696 64.014 0.682 17578 3782 1 7 . 1 1 71 71 SER H H 106 7.548 7.548 8.126 -0.578 17578 3783 1 7 . 1 1 72 72 LYS N N 107 119.881 119.881 122.613 -2.732 17578 3784 1 7 . 1 1 72 72 LYS HA H 107 4.191 4.191 3.785 0.406 17578 3785 1 7 . 1 1 72 72 LYS CA C 107 58.623 58.623 60.735 -2.112 17578 3786 1 7 . 1 1 72 72 LYS CB C 107 30.957 30.957 32.295 -1.338 17578 3787 1 7 . 1 1 72 72 LYS H H 107 8.328 8.328 8.667 -0.339 17578 3788 1 7 . 1 1 73 73 GLN N N 108 123.720 123.720 117.226 6.494 17578 3789 1 7 . 1 1 73 73 GLN HA H 108 4.013 4.013 4.127 -0.114 17578 3790 1 7 . 1 1 73 73 GLN CA C 108 58.621 58.621 58.865 -0.244 17578 3791 1 7 . 1 1 73 73 GLN CB C 108 28.331 28.331 28.045 0.286 17578 3792 1 7 . 1 1 73 73 GLN H H 108 8.543 8.543 8.355 0.188 17578 3793 1 7 . 1 1 74 74 ASP N N 109 121.068 121.068 119.833 1.235 17578 3794 1 7 . 1 1 74 74 ASP HA H 109 4.353 4.353 4.316 0.037 17578 3795 1 7 . 1 1 74 74 ASP CA C 109 56.941 56.941 57.456 -0.515 17578 3796 1 7 . 1 1 74 74 ASP CB C 109 40.403 40.403 40.449 -0.046 17578 3797 1 7 . 1 1 74 74 ASP H H 109 7.998 7.998 8.543 -0.545 17578 3798 1 7 . 1 1 75 75 LEU N N 110 120.670 120.670 120.022 0.648 17578 3799 1 7 . 1 1 75 75 LEU HA H 110 3.967 3.967 3.984 -0.017 17578 3800 1 7 . 1 1 75 75 LEU C C 110 178.753 178.753 179.238 -0.485 17578 3801 1 7 . 1 1 75 75 LEU CA C 110 57.080 57.080 57.382 -0.302 17578 3802 1 7 . 1 1 75 75 LEU CB C 110 41.235 41.235 41.713 -0.478 17578 3803 1 7 . 1 1 75 75 LEU H H 110 7.999 7.999 7.697 0.302 17578 3804 1 7 . 1 1 76 76 GLY N N 111 105.512 105.512 106.747 -1.235 17578 3805 1 7 . 1 1 76 76 GLY C C 111 175.517 175.517 176.088 -0.571 17578 3806 1 7 . 1 1 76 76 GLY CA C 111 46.745 46.745 47.400 -0.655 17578 3807 1 7 . 1 1 76 76 GLY H H 111 8.012 8.012 8.086 -0.074 17578 3808 1 7 . 1 1 77 77 ALA N N 112 122.891 122.891 124.851 -1.960 17578 3809 1 7 . 1 1 77 77 ALA HA H 112 4.180 4.180 4.154 0.026 17578 3810 1 7 . 1 1 77 77 ALA CA C 112 53.652 53.652 54.529 -0.876 17578 3811 1 7 . 1 1 77 77 ALA CB C 112 18.482 18.482 18.490 -0.008 17578 3812 1 7 . 1 1 77 77 ALA H H 112 7.785 7.785 8.198 -0.413 17578 3813 1 7 . 1 1 78 78 ALA N N 113 121.205 121.205 119.373 1.832 17578 3814 1 7 . 1 1 78 78 ALA HA H 113 4.213 4.213 4.020 0.193 17578 3815 1 7 . 1 1 78 78 ALA CA C 113 53.503 53.503 53.420 0.083 17578 3816 1 7 . 1 1 78 78 ALA CB C 113 18.897 18.897 19.574 -0.677 17578 3817 1 7 . 1 1 78 78 ALA H H 113 7.787 7.787 7.754 0.033 17578 3818 1 7 . 1 1 79 79 GLY N N 114 104.082 104.082 101.554 2.528 17578 3819 1 7 . 1 1 79 79 GLY CA C 114 44.764 44.764 44.982 -0.218 17578 3820 1 7 . 1 1 79 79 GLY H H 114 7.756 7.756 7.852 -0.096 17578 3821 1 7 . 1 1 80 80 ALA HA H 115 4.061 4.061 4.656 -0.595 17578 3822 1 7 . 1 1 80 80 ALA CA C 115 53.192 53.192 52.184 1.008 17578 3823 1 7 . 1 1 80 80 ALA CB C 115 19.493 19.493 20.280 -0.787 17578 3824 1 7 . 1 1 81 81 THR N N 116 116.258 116.258 114.503 1.755 17578 3825 1 7 . 1 1 81 81 THR CA C 116 57.223 57.223 62.775 -5.552 17578 3826 1 7 . 1 1 81 81 THR CB C 116 64.784 64.784 68.248 -3.464 17578 3827 1 7 . 1 1 81 81 THR H H 116 8.121 8.121 8.050 0.071 17578 3828 1 7 . 1 1 83 83 ARG N N 118 122.269 122.269 118.838 3.431 17578 3829 1 7 . 1 1 83 83 ARG H H 118 8.128 8.128 7.687 0.441 17578 3830 1 7 . 1 1 85 85 THR N N 120 120.171 120.171 117.574 2.597 17578 3831 1 7 . 1 1 85 85 THR C C 120 172.729 172.729 173.982 -1.253 17578 3832 1 7 . 1 1 85 85 THR H H 120 8.127 8.127 8.098 0.029 17578 3833 1 7 . 1 1 86 86 SER N N 121 115.808 115.808 115.039 0.769 17578 3834 1 7 . 1 1 86 86 SER HA H 121 4.280 4.280 4.503 -0.223 17578 3835 1 7 . 1 1 86 86 SER CA C 121 59.573 59.573 58.520 1.053 17578 3836 1 7 . 1 1 86 86 SER CB C 121 64.384 64.384 64.130 0.254 17578 3837 1 7 . 1 1 86 86 SER H H 121 7.045 7.045 8.202 -1.157 17578 3838 1 7 . 1 1 87 87 VAL N N 122 115.790 115.790 119.648 -3.858 17578 3839 1 7 . 1 1 87 87 VAL HA H 122 5.203 5.203 4.560 0.643 17578 3840 1 7 . 1 1 87 87 VAL CA C 122 59.412 59.412 61.243 -1.831 17578 3841 1 7 . 1 1 87 87 VAL CB C 122 32.729 32.729 31.803 0.926 17578 3842 1 7 . 1 1 87 87 VAL H H 122 7.082 7.082 7.708 -0.626 17578 3843 1 7 . 1 1 88 88 VAL N N 123 119.313 119.313 127.047 -7.734 17578 3844 1 7 . 1 1 88 88 VAL HA H 123 5.097 5.097 5.072 0.025 17578 3845 1 7 . 1 1 88 88 VAL C C 123 172.990 172.990 173.597 -0.607 17578 3846 1 7 . 1 1 88 88 VAL CA C 123 58.925 58.925 59.572 -0.647 17578 3847 1 7 . 1 1 88 88 VAL CB C 123 35.929 35.929 35.380 0.549 17578 3848 1 7 . 1 1 88 88 VAL H H 123 8.948 8.948 8.323 0.625 17578 3849 1 7 . 1 1 89 89 PHE N N 124 122.616 122.616 126.459 -3.843 17578 3850 1 7 . 1 1 89 89 PHE HA H 124 5.641 5.641 5.611 0.030 17578 3851 1 7 . 1 1 89 89 PHE C C 124 174.686 174.686 173.215 1.471 17578 3852 1 7 . 1 1 89 89 PHE CA C 124 52.579 52.579 54.657 -2.078 17578 3853 1 7 . 1 1 89 89 PHE CB C 124 42.392 42.392 42.524 -0.132 17578 3854 1 7 . 1 1 89 89 PHE H H 124 9.065 9.065 9.390 -0.325 17578 3855 1 7 . 1 1 90 90 ILE N N 125 127.599 127.599 123.248 4.351 17578 3856 1 7 . 1 1 90 90 ILE HA H 125 4.268 4.268 4.026 0.242 17578 3857 1 7 . 1 1 90 90 ILE C C 125 173.652 173.652 175.025 -1.373 17578 3858 1 7 . 1 1 90 90 ILE CA C 125 61.605 61.605 60.233 1.371 17578 3859 1 7 . 1 1 90 90 ILE CB C 125 39.533 39.533 38.658 0.875 17578 3860 1 7 . 1 1 90 90 ILE H H 125 9.498 9.498 9.138 0.360 17578 3861 1 7 . 1 1 91 91 VAL N N 126 126.693 126.693 125.119 1.574 17578 3862 1 7 . 1 1 91 91 VAL HA H 126 4.595 4.595 4.670 -0.075 17578 3863 1 7 . 1 1 91 91 VAL CA C 126 58.380 58.380 57.875 0.505 17578 3864 1 7 . 1 1 91 91 VAL CB C 126 32.597 32.597 32.088 0.509 17578 3865 1 7 . 1 1 91 91 VAL H H 126 8.169 8.169 8.588 -0.419 17578 3866 1 7 . 1 1 92 92 PRO HA H 127 4.044 4.044 4.338 -0.294 17578 3867 1 7 . 1 1 92 92 PRO CA C 127 63.380 63.380 62.543 0.837 17578 3868 1 7 . 1 1 92 92 PRO CB C 127 31.735 31.735 29.818 1.917 17578 3869 1 7 . 1 1 93 93 GLY N N 128 108.589 108.589 112.451 -3.862 17578 3870 1 7 . 1 1 93 93 GLY CA C 128 45.443 45.443 45.640 -0.197 17578 3871 1 7 . 1 1 93 93 GLY H H 128 8.022 8.022 8.689 -0.667 17578 3872 1 7 . 1 1 94 94 SER N N 129 113.115 113.115 115.522 -2.407 17578 3873 1 7 . 1 1 94 94 SER H H 129 7.992 7.992 7.831 0.161 17578 3874 1 7 . 1 1 95 95 ASN N N 130 120.738 120.738 119.395 1.343 17578 3875 1 7 . 1 1 95 95 ASN C C 130 178.419 178.419 176.987 1.432 17578 3876 1 7 . 1 1 95 95 ASN CA C 130 57.337 57.337 56.254 1.083 17578 3877 1 7 . 1 1 95 95 ASN CB C 130 41.958 41.958 38.680 3.278 17578 3878 1 7 . 1 1 95 95 ASN H H 130 8.313 8.313 8.931 -0.618 17578 3879 1 7 . 1 1 96 96 LYS N N 131 119.159 119.159 118.587 0.572 17578 3880 1 7 . 1 1 96 96 LYS HA H 131 4.021 4.021 4.265 -0.244 17578 3881 1 7 . 1 1 96 96 LYS CA C 131 58.749 58.749 58.952 -0.203 17578 3882 1 7 . 1 1 96 96 LYS CB C 131 29.565 29.565 32.983 -3.418 17578 3883 1 7 . 1 1 96 96 LYS H H 131 7.881 7.881 7.860 0.021 17578 3884 1 7 . 1 1 97 97 LYS N N 132 117.399 117.399 120.443 -3.044 17578 3885 1 7 . 1 1 97 97 LYS CA C 132 58.413 58.413 58.282 0.130 17578 3886 1 7 . 1 1 97 97 LYS CB C 132 30.694 30.694 32.117 -1.423 17578 3887 1 7 . 1 1 97 97 LYS H H 132 7.765 7.765 7.543 0.222 17578 3888 1 7 . 1 1 98 98 LYS N N 133 119.160 119.160 117.451 1.709 17578 3889 1 7 . 1 1 98 98 LYS CA C 133 58.266 58.266 58.795 -0.529 17578 3890 1 7 . 1 1 98 98 LYS CB C 133 30.981 30.981 31.752 -0.771 17578 3891 1 7 . 1 1 98 98 LYS H H 133 8.070 8.070 7.874 0.196 17578 3892 1 7 . 1 1 99 99 ASP N N 134 120.602 120.602 121.003 -0.401 17578 3893 1 7 . 1 1 99 99 ASP CA C 134 55.586 55.586 53.378 2.208 17578 3894 1 7 . 1 1 99 99 ASP CB C 134 41.898 41.898 40.602 1.296 17578 3895 1 7 . 1 1 99 99 ASP H H 134 8.255 8.255 7.639 0.616 17578 3896 1 7 . 1 1 100 100 GLY N N 135 108.785 108.785 107.605 1.180 17578 3897 1 7 . 1 1 100 100 GLY CA C 135 45.536 45.536 45.270 0.266 17578 3898 1 7 . 1 1 100 100 GLY H H 135 8.451 8.451 7.614 0.837 17578 3899 1 7 . 1 1 101 101 LYS N N 136 120.171 120.171 119.536 0.635 17578 3900 1 7 . 1 1 101 101 LYS H H 136 8.127 8.127 8.264 -0.137 17578 3901 1 7 . 1 1 102 102 ASN N N 137 118.588 118.588 119.628 -1.040 17578 3902 1 7 . 1 1 102 102 ASN H H 137 8.481 8.481 8.269 0.212 17578 3903 1 7 . 1 1 103 103 LYS N N 138 121.739 121.739 115.565 6.174 17578 3904 1 7 . 1 1 103 103 LYS HA H 138 4.241 4.241 4.431 -0.190 17578 3905 1 7 . 1 1 103 103 LYS CA C 138 56.760 56.760 56.145 0.615 17578 3906 1 7 . 1 1 103 103 LYS CB C 138 32.691 32.691 32.285 0.406 17578 3907 1 7 . 1 1 103 103 LYS H H 138 8.318 8.318 8.150 0.168 17578 3908 1 7 . 1 1 104 104 GLU N N 139 120.980 120.980 121.971 -0.991 17578 3909 1 7 . 1 1 104 104 GLU CA C 139 57.235 57.235 60.035 -2.800 17578 3910 1 7 . 1 1 104 104 GLU CB C 139 29.893 29.893 29.306 0.587 17578 3911 1 7 . 1 1 104 104 GLU H H 139 8.478 8.478 8.737 -0.259 17578 3912 1 7 . 1 1 107 107 TYR N N 142 119.214 119.214 122.007 -2.793 17578 3913 1 7 . 1 1 107 107 TYR HA H 142 5.023 5.023 3.846 1.177 17578 3914 1 7 . 1 1 107 107 TYR C C 142 175.419 175.419 176.996 -1.577 17578 3915 1 7 . 1 1 107 107 TYR CA C 142 57.200 57.200 61.807 -4.607 17578 3916 1 7 . 1 1 107 107 TYR CB C 142 39.165 39.165 38.349 0.816 17578 3917 1 7 . 1 1 107 107 TYR H H 142 7.992 7.992 8.727 -0.735 17578 3918 1 7 . 1 1 108 108 LYS N N 143 123.500 123.500 117.962 5.538 17578 3919 1 7 . 1 1 108 108 LYS HA H 143 3.628 3.628 3.651 -0.023 17578 3920 1 7 . 1 1 108 108 LYS CA C 143 59.619 59.619 59.079 0.540 17578 3921 1 7 . 1 1 108 108 LYS CB C 143 31.869 31.869 32.005 -0.136 17578 3922 1 7 . 1 1 108 108 LYS H H 143 7.377 7.377 8.154 -0.777 17578 3923 1 7 . 1 1 109 109 GLU N N 144 118.669 118.669 120.601 -1.932 17578 3924 1 7 . 1 1 109 109 GLU HA H 144 4.735 4.735 4.022 0.713 17578 3925 1 7 . 1 1 109 109 GLU CA C 144 59.865 59.865 59.392 0.473 17578 3926 1 7 . 1 1 109 109 GLU CB C 144 29.004 29.004 29.334 -0.330 17578 3927 1 7 . 1 1 109 109 GLU H H 144 8.583 8.583 8.317 0.266 17578 3928 1 7 . 1 1 110 110 SER N N 145 116.081 116.081 114.925 1.156 17578 3929 1 7 . 1 1 110 110 SER HA H 145 4.448 4.448 4.284 0.164 17578 3930 1 7 . 1 1 110 110 SER CB C 145 64.178 64.178 63.305 0.873 17578 3931 1 7 . 1 1 110 110 SER H H 145 8.117 8.117 8.090 0.027 17578 3932 1 7 . 1 1 111 111 PHE N N 146 122.134 122.134 123.195 -1.061 17578 3933 1 7 . 1 1 111 111 PHE HA H 146 4.022 4.022 4.044 -0.022 17578 3934 1 7 . 1 1 111 111 PHE C C 146 175.751 175.751 177.724 -1.973 17578 3935 1 7 . 1 1 111 111 PHE CA C 146 62.159 62.159 60.370 1.789 17578 3936 1 7 . 1 1 111 111 PHE CB C 146 39.533 39.533 37.976 1.557 17578 3937 1 7 . 1 1 111 111 PHE H H 146 8.553 8.553 8.163 0.390 17578 3938 1 7 . 1 1 112 112 ASN N N 147 117.856 117.856 116.926 0.930 17578 3939 1 7 . 1 1 112 112 ASN HA H 147 4.269 4.269 4.314 -0.045 17578 3940 1 7 . 1 1 112 112 ASN CA C 147 55.881 55.881 56.246 -0.365 17578 3941 1 7 . 1 1 112 112 ASN CB C 147 37.663 37.663 37.860 -0.197 17578 3942 1 7 . 1 1 112 112 ASN H H 147 8.809 8.809 8.551 0.258 17578 3943 1 7 . 1 1 113 113 GLU N N 148 119.708 119.708 120.620 -0.912 17578 3944 1 7 . 1 1 113 113 GLU HA H 148 4.021 4.021 4.021 0.000 17578 3945 1 7 . 1 1 113 113 GLU CA C 148 59.385 59.385 59.572 -0.187 17578 3946 1 7 . 1 1 113 113 GLU CB C 148 29.784 29.784 29.673 0.111 17578 3947 1 7 . 1 1 113 113 GLU H H 148 7.778 7.778 7.789 -0.011 17578 3948 1 7 . 1 1 114 114 VAL N N 149 119.680 119.680 119.885 -0.205 17578 3949 1 7 . 1 1 114 114 VAL HA H 149 3.556 3.556 3.726 -0.170 17578 3950 1 7 . 1 1 114 114 VAL CA C 149 66.625 66.625 65.904 0.721 17578 3951 1 7 . 1 1 114 114 VAL CB C 149 31.368 31.368 31.308 0.060 17578 3952 1 7 . 1 1 114 114 VAL H H 149 8.023 8.023 8.231 -0.208 17578 3953 1 7 . 1 1 115 115 VAL N N 150 119.684 119.684 116.462 3.222 17578 3954 1 7 . 1 1 115 115 VAL HA H 150 3.163 3.163 3.601 -0.438 17578 3955 1 7 . 1 1 115 115 VAL C C 150 177.270 177.270 178.210 -0.940 17578 3956 1 7 . 1 1 115 115 VAL CA C 150 67.984 67.984 66.013 1.971 17578 3957 1 7 . 1 1 115 115 VAL CB C 150 30.848 30.848 31.047 -0.199 17578 3958 1 7 . 1 1 115 115 VAL H H 150 8.480 8.480 8.607 -0.127 17578 3959 1 7 . 1 1 116 116 LYS N N 151 118.648 118.648 120.604 -1.956 17578 3960 1 7 . 1 1 116 116 LYS HA H 151 4.027 4.027 4.015 0.012 17578 3961 1 7 . 1 1 116 116 LYS CA C 151 59.691 59.691 59.016 0.675 17578 3962 1 7 . 1 1 116 116 LYS CB C 151 32.346 32.346 31.666 0.680 17578 3963 1 7 . 1 1 116 116 LYS H H 151 7.584 7.584 7.969 -0.385 17578 3964 1 7 . 1 1 117 117 GLU N N 152 120.177 120.177 119.971 0.206 17578 3965 1 7 . 1 1 117 117 GLU HA H 152 4.046 4.046 4.052 -0.006 17578 3966 1 7 . 1 1 117 117 GLU CA C 152 59.932 59.932 59.342 0.590 17578 3967 1 7 . 1 1 117 117 GLU CB C 152 29.663 29.663 29.278 0.385 17578 3968 1 7 . 1 1 117 117 GLU H H 152 7.528 7.528 7.906 -0.378 17578 3969 1 7 . 1 1 118 118 VAL N N 153 120.413 120.413 119.819 0.594 17578 3970 1 7 . 1 1 118 118 VAL HA H 153 3.421 3.421 3.836 -0.415 17578 3971 1 7 . 1 1 118 118 VAL CA C 153 67.196 67.196 65.465 1.731 17578 3972 1 7 . 1 1 118 118 VAL CB C 153 31.600 31.600 32.097 -0.497 17578 3973 1 7 . 1 1 118 118 VAL H H 153 8.665 8.665 7.804 0.861 17578 3974 1 7 . 1 1 119 119 GLN N N 154 118.232 118.232 118.559 -0.327 17578 3975 1 7 . 1 1 119 119 GLN HA H 154 3.982 3.982 3.962 0.020 17578 3976 1 7 . 1 1 119 119 GLN CA C 154 59.651 59.651 58.167 1.484 17578 3977 1 7 . 1 1 119 119 GLN CB C 154 28.478 28.478 28.903 -0.425 17578 3978 1 7 . 1 1 119 119 GLN H H 154 8.950 8.950 7.892 1.058 17578 3979 1 7 . 1 1 120 120 ALA N N 155 120.568 120.568 121.661 -1.093 17578 3980 1 7 . 1 1 120 120 ALA HA H 155 4.223 4.223 4.241 -0.018 17578 3981 1 7 . 1 1 120 120 ALA CA C 155 55.071 55.071 52.952 2.119 17578 3982 1 7 . 1 1 120 120 ALA CB C 155 17.952 17.952 19.487 -1.535 17578 3983 1 7 . 1 1 120 120 ALA H H 155 7.486 7.486 8.067 -0.581 17578 3984 1 8 . 1 1 2 2 LYS N N 37 124.035 124.035 123.782 0.253 17578 3985 1 8 . 1 1 2 2 LYS HA H 37 4.064 4.064 4.106 -0.042 17578 3986 1 8 . 1 1 2 2 LYS H H 37 7.786 7.786 8.664 -0.878 17578 3987 1 8 . 1 1 3 3 LYS HA H 38 4.026 4.026 4.222 -0.196 17578 3988 1 8 . 1 1 3 3 LYS C C 38 179.176 179.176 177.930 1.246 17578 3989 1 8 . 1 1 3 3 LYS CA C 38 59.781 59.781 57.947 1.834 17578 3990 1 8 . 1 1 3 3 LYS CB C 38 32.626 32.626 31.716 0.910 17578 3991 1 8 . 1 1 4 4 LEU N N 39 122.003 122.003 120.901 1.102 17578 3992 1 8 . 1 1 4 4 LEU HA H 39 4.159 4.159 3.985 0.174 17578 3993 1 8 . 1 1 4 4 LEU C C 39 178.232 178.232 178.495 -0.263 17578 3994 1 8 . 1 1 4 4 LEU CA C 39 57.470 57.470 58.355 -0.885 17578 3995 1 8 . 1 1 4 4 LEU CB C 39 40.343 40.343 41.436 -1.093 17578 3996 1 8 . 1 1 4 4 LEU H H 39 7.877 7.877 7.868 0.009 17578 3997 1 8 . 1 1 5 5 ASN N N 40 118.692 118.692 117.510 1.182 17578 3998 1 8 . 1 1 5 5 ASN HA H 40 3.997 3.997 4.327 -0.330 17578 3999 1 8 . 1 1 5 5 ASN C C 40 176.054 176.054 177.340 -1.286 17578 4000 1 8 . 1 1 5 5 ASN CA C 40 57.622 57.622 56.449 1.173 17578 4001 1 8 . 1 1 5 5 ASN CB C 40 40.113 40.113 38.108 2.005 17578 4002 1 8 . 1 1 5 5 ASN H H 40 9.313 9.313 7.744 1.569 17578 4003 1 8 . 1 1 6 6 LYS N N 41 115.497 115.497 120.080 -4.583 17578 4004 1 8 . 1 1 6 6 LYS HA H 41 3.928 3.928 3.945 -0.017 17578 4005 1 8 . 1 1 6 6 LYS C C 41 179.133 179.133 179.113 0.020 17578 4006 1 8 . 1 1 6 6 LYS CA C 41 59.909 59.909 59.328 0.581 17578 4007 1 8 . 1 1 6 6 LYS CB C 41 32.256 32.256 32.145 0.111 17578 4008 1 8 . 1 1 6 6 LYS H H 41 7.230 7.230 7.876 -0.646 17578 4009 1 8 . 1 1 7 7 LYS N N 42 118.961 118.961 120.328 -1.367 17578 4010 1 8 . 1 1 7 7 LYS HA H 42 4.040 4.040 3.885 0.155 17578 4011 1 8 . 1 1 7 7 LYS C C 42 180.272 180.272 178.830 1.442 17578 4012 1 8 . 1 1 7 7 LYS CA C 42 59.988 59.988 60.143 -0.155 17578 4013 1 8 . 1 1 7 7 LYS CB C 42 33.462 33.462 32.408 1.054 17578 4014 1 8 . 1 1 7 7 LYS H H 42 7.367 7.367 7.990 -0.623 17578 4015 1 8 . 1 1 8 8 VAL N N 43 122.400 122.400 119.069 3.331 17578 4016 1 8 . 1 1 8 8 VAL HA H 43 3.303 3.303 3.823 -0.520 17578 4017 1 8 . 1 1 8 8 VAL CA C 43 67.430 67.430 66.632 0.798 17578 4018 1 8 . 1 1 8 8 VAL CB C 43 31.374 31.374 31.516 -0.142 17578 4019 1 8 . 1 1 8 8 VAL H H 43 9.215 9.215 8.516 0.699 17578 4020 1 8 . 1 1 9 9 LEU N N 44 119.626 119.626 122.039 -2.413 17578 4021 1 8 . 1 1 9 9 LEU HA H 44 3.833 3.833 4.154 -0.321 17578 4022 1 8 . 1 1 9 9 LEU CA C 44 58.453 58.453 58.003 0.450 17578 4023 1 8 . 1 1 9 9 LEU CB C 44 41.171 41.171 41.619 -0.448 17578 4024 1 8 . 1 1 9 9 LEU H H 44 8.471 8.471 8.156 0.315 17578 4025 1 8 . 1 1 10 10 LYS N N 45 119.761 119.761 117.863 1.898 17578 4026 1 8 . 1 1 10 10 LYS HA H 45 4.026 4.026 4.023 0.003 17578 4027 1 8 . 1 1 10 10 LYS CA C 45 59.919 59.919 59.433 0.486 17578 4028 1 8 . 1 1 10 10 LYS CB C 45 32.430 32.430 31.833 0.597 17578 4029 1 8 . 1 1 10 10 LYS H H 45 7.883 7.883 8.336 -0.453 17578 4030 1 8 . 1 1 11 11 THR N N 46 116.469 116.469 117.730 -1.261 17578 4031 1 8 . 1 1 11 11 THR HA H 46 4.339 4.339 3.502 0.837 17578 4032 1 8 . 1 1 11 11 THR C C 46 175.987 175.987 176.495 -0.508 17578 4033 1 8 . 1 1 11 11 THR CB C 46 68.013 68.013 68.178 -0.165 17578 4034 1 8 . 1 1 11 11 THR H H 46 7.805 7.805 7.985 -0.180 17578 4035 1 8 . 1 1 12 12 VAL N N 47 121.907 121.907 121.674 0.233 17578 4036 1 8 . 1 1 12 12 VAL HA H 47 3.232 3.232 4.060 -0.828 17578 4037 1 8 . 1 1 12 12 VAL CA C 47 67.331 67.331 65.854 1.477 17578 4038 1 8 . 1 1 12 12 VAL CB C 47 31.438 31.438 31.852 -0.414 17578 4039 1 8 . 1 1 12 12 VAL H H 47 8.782 8.782 8.271 0.511 17578 4040 1 8 . 1 1 13 13 LYS N N 48 122.393 122.393 119.312 3.081 17578 4041 1 8 . 1 1 13 13 LYS HA H 48 4.258 4.258 4.040 0.218 17578 4042 1 8 . 1 1 13 13 LYS C C 48 179.808 179.808 178.805 1.003 17578 4043 1 8 . 1 1 13 13 LYS CA C 48 59.999 59.999 59.321 0.678 17578 4044 1 8 . 1 1 13 13 LYS CB C 48 32.553 32.553 32.230 0.323 17578 4045 1 8 . 1 1 13 13 LYS H H 48 8.171 8.171 7.982 0.189 17578 4046 1 8 . 1 1 14 14 LYS N N 49 118.852 118.852 118.374 0.478 17578 4047 1 8 . 1 1 14 14 LYS HA H 49 3.973 3.973 4.214 -0.241 17578 4048 1 8 . 1 1 14 14 LYS CA C 49 59.811 59.811 58.463 1.348 17578 4049 1 8 . 1 1 14 14 LYS CB C 49 33.389 33.389 32.548 0.841 17578 4050 1 8 . 1 1 14 14 LYS H H 49 7.941 7.941 7.855 0.086 17578 4051 1 8 . 1 1 15 15 ALA N N 50 122.047 122.047 122.140 -0.093 17578 4052 1 8 . 1 1 15 15 ALA HA H 50 3.496 3.496 4.290 -0.794 17578 4053 1 8 . 1 1 15 15 ALA CA C 50 54.709 54.709 54.677 0.032 17578 4054 1 8 . 1 1 15 15 ALA CB C 50 18.917 18.917 18.108 0.809 17578 4055 1 8 . 1 1 15 15 ALA H H 50 8.544 8.544 8.373 0.171 17578 4056 1 8 . 1 1 16 16 SER N N 51 116.561 116.561 114.131 2.430 17578 4057 1 8 . 1 1 16 16 SER HA H 51 4.730 4.730 4.182 0.548 17578 4058 1 8 . 1 1 16 16 SER C C 51 178.560 178.560 176.935 1.625 17578 4059 1 8 . 1 1 16 16 SER CA C 51 61.680 61.680 61.604 0.076 17578 4060 1 8 . 1 1 16 16 SER CB C 51 62.551 62.551 63.127 -0.576 17578 4061 1 8 . 1 1 16 16 SER H H 51 8.551 8.551 8.191 0.360 17578 4062 1 8 . 1 1 17 17 LYS N N 52 124.890 124.890 121.025 3.865 17578 4063 1 8 . 1 1 17 17 LYS HA H 52 4.072 4.072 4.185 -0.113 17578 4064 1 8 . 1 1 17 17 LYS C C 52 177.377 177.377 177.414 -0.037 17578 4065 1 8 . 1 1 17 17 LYS CA C 52 58.931 58.931 58.349 0.582 17578 4066 1 8 . 1 1 17 17 LYS CB C 52 31.961 31.961 32.474 -0.513 17578 4067 1 8 . 1 1 17 17 LYS H H 52 7.578 7.578 7.668 -0.090 17578 4068 1 8 . 1 1 18 18 ALA N N 53 118.628 118.628 119.352 -0.724 17578 4069 1 8 . 1 1 18 18 ALA HA H 53 4.285 4.285 4.344 -0.059 17578 4070 1 8 . 1 1 18 18 ALA C C 53 175.061 175.061 176.786 -1.725 17578 4071 1 8 . 1 1 18 18 ALA CA C 53 51.822 51.822 51.670 0.152 17578 4072 1 8 . 1 1 18 18 ALA CB C 53 19.390 19.390 19.014 0.376 17578 4073 1 8 . 1 1 18 18 ALA H H 53 7.112 7.112 7.471 -0.359 17578 4074 1 8 . 1 1 19 19 LYS N N 54 111.984 111.984 116.091 -4.107 17578 4075 1 8 . 1 1 19 19 LYS HA H 54 4.026 4.026 3.929 0.097 17578 4076 1 8 . 1 1 19 19 LYS CA C 54 57.222 57.222 57.285 -0.063 17578 4077 1 8 . 1 1 19 19 LYS CB C 54 28.387 28.387 30.060 -1.673 17578 4078 1 8 . 1 1 19 19 LYS H H 54 7.653 7.653 7.549 0.104 17578 4079 1 8 . 1 1 20 20 ASN N N 55 116.088 116.088 114.545 1.543 17578 4080 1 8 . 1 1 20 20 ASN HA H 55 5.102 5.102 4.878 0.224 17578 4081 1 8 . 1 1 20 20 ASN C C 55 172.975 172.975 173.678 -0.703 17578 4082 1 8 . 1 1 20 20 ASN CA C 55 51.215 51.215 52.369 -1.154 17578 4083 1 8 . 1 1 20 20 ASN CB C 55 40.316 40.316 40.346 -0.030 17578 4084 1 8 . 1 1 20 20 ASN H H 55 8.118 8.118 7.824 0.294 17578 4085 1 8 . 1 1 21 21 VAL N N 56 114.959 114.959 118.180 -3.221 17578 4086 1 8 . 1 1 21 21 VAL HA H 56 4.938 4.938 4.119 0.819 17578 4087 1 8 . 1 1 21 21 VAL C C 56 175.409 175.409 173.382 2.027 17578 4088 1 8 . 1 1 21 21 VAL CA C 56 60.901 60.901 60.394 0.507 17578 4089 1 8 . 1 1 21 21 VAL CB C 56 35.368 35.368 34.681 0.688 17578 4090 1 8 . 1 1 21 21 VAL H H 56 7.628 7.628 7.517 0.111 17578 4091 1 8 . 1 1 22 22 LYS N N 57 126.485 126.485 125.355 1.130 17578 4092 1 8 . 1 1 22 22 LYS HA H 57 4.712 4.712 4.676 0.036 17578 4093 1 8 . 1 1 22 22 LYS C C 57 175.394 175.394 174.668 0.726 17578 4094 1 8 . 1 1 22 22 LYS CA C 57 54.485 54.485 53.380 1.105 17578 4095 1 8 . 1 1 22 22 LYS CB C 57 33.669 33.669 35.651 -1.982 17578 4096 1 8 . 1 1 22 22 LYS H H 57 8.987 8.987 8.502 0.485 17578 4097 1 8 . 1 1 23 23 ARG N N 58 122.011 122.011 121.412 0.599 17578 4098 1 8 . 1 1 23 23 ARG HA H 58 4.837 4.837 4.917 -0.080 17578 4099 1 8 . 1 1 23 23 ARG C C 58 175.930 175.930 175.548 0.382 17578 4100 1 8 . 1 1 23 23 ARG CA C 58 55.872 55.872 55.180 0.692 17578 4101 1 8 . 1 1 23 23 ARG CB C 58 33.513 33.513 31.456 2.057 17578 4102 1 8 . 1 1 23 23 ARG H H 58 9.024 9.024 8.601 0.423 17578 4103 1 8 . 1 1 24 24 GLY N N 59 111.007 111.007 111.494 -0.487 17578 4104 1 8 . 1 1 24 24 GLY CA C 59 44.790 44.790 44.945 -0.155 17578 4105 1 8 . 1 1 24 24 GLY H H 59 8.315 8.315 8.688 -0.373 17578 4106 1 8 . 1 1 25 25 VAL N N 60 119.423 119.423 122.012 -2.589 17578 4107 1 8 . 1 1 25 25 VAL HA H 60 3.156 3.156 3.748 -0.592 17578 4108 1 8 . 1 1 25 25 VAL C C 60 176.562 176.562 177.000 -0.438 17578 4109 1 8 . 1 1 25 25 VAL CA C 60 68.037 68.037 65.038 2.999 17578 4110 1 8 . 1 1 25 25 VAL CB C 60 32.050 32.050 32.077 -0.027 17578 4111 1 8 . 1 1 25 25 VAL H H 60 8.152 8.152 8.511 -0.359 17578 4112 1 8 . 1 1 26 26 LYS N N 61 117.316 117.316 118.495 -1.179 17578 4113 1 8 . 1 1 26 26 LYS HA H 61 3.919 3.919 4.015 -0.096 17578 4114 1 8 . 1 1 26 26 LYS C C 61 180.130 180.130 178.519 1.611 17578 4115 1 8 . 1 1 26 26 LYS CA C 61 60.157 60.157 59.917 0.240 17578 4116 1 8 . 1 1 26 26 LYS CB C 61 32.041 32.041 32.010 0.031 17578 4117 1 8 . 1 1 26 26 LYS H H 61 8.156 8.156 8.569 -0.413 17578 4118 1 8 . 1 1 27 27 GLU N N 62 117.535 117.535 118.691 -1.156 17578 4119 1 8 . 1 1 27 27 GLU HA H 62 3.961 3.961 4.181 -0.220 17578 4120 1 8 . 1 1 27 27 GLU CA C 62 58.787 58.787 59.150 -0.363 17578 4121 1 8 . 1 1 27 27 GLU CB C 62 29.843 29.843 29.312 0.531 17578 4122 1 8 . 1 1 27 27 GLU H H 62 8.531 8.531 7.487 1.044 17578 4123 1 8 . 1 1 28 28 VAL N N 63 120.589 120.589 117.527 3.062 17578 4124 1 8 . 1 1 28 28 VAL HA H 63 3.498 3.498 3.042 0.456 17578 4125 1 8 . 1 1 28 28 VAL CA C 63 68.099 68.099 65.995 2.104 17578 4126 1 8 . 1 1 28 28 VAL CB C 63 31.376 31.376 31.282 0.094 17578 4127 1 8 . 1 1 28 28 VAL H H 63 8.255 8.255 7.990 0.265 17578 4128 1 8 . 1 1 29 29 VAL N N 64 118.570 118.570 120.088 -1.518 17578 4129 1 8 . 1 1 29 29 VAL HA H 64 3.359 3.359 3.553 -0.194 17578 4130 1 8 . 1 1 29 29 VAL C C 64 177.549 177.549 177.854 -0.305 17578 4131 1 8 . 1 1 29 29 VAL CA C 64 67.456 67.456 66.233 1.223 17578 4132 1 8 . 1 1 29 29 VAL CB C 64 31.233 31.233 30.622 0.611 17578 4133 1 8 . 1 1 29 29 VAL H H 64 8.535 8.535 8.066 0.469 17578 4134 1 8 . 1 1 30 30 LYS N N 65 117.926 117.926 120.626 -2.700 17578 4135 1 8 . 1 1 30 30 LYS HA H 65 3.875 3.875 3.863 0.012 17578 4136 1 8 . 1 1 30 30 LYS CA C 65 59.811 59.811 59.902 -0.091 17578 4137 1 8 . 1 1 30 30 LYS CB C 65 32.715 32.715 32.314 0.401 17578 4138 1 8 . 1 1 30 30 LYS H H 65 7.538 7.538 7.926 -0.389 17578 4139 1 8 . 1 1 31 31 ALA N N 66 120.475 120.475 120.723 -0.248 17578 4140 1 8 . 1 1 31 31 ALA HA H 66 4.071 4.071 4.104 -0.033 17578 4141 1 8 . 1 1 31 31 ALA C C 66 179.596 179.596 179.459 0.137 17578 4142 1 8 . 1 1 31 31 ALA CA C 66 55.051 55.051 54.603 0.448 17578 4143 1 8 . 1 1 31 31 ALA CB C 66 18.901 18.901 17.908 0.993 17578 4144 1 8 . 1 1 31 31 ALA H H 66 7.496 7.496 7.857 -0.361 17578 4145 1 8 . 1 1 32 32 LEU N N 67 119.357 119.357 120.634 -1.277 17578 4146 1 8 . 1 1 32 32 LEU HA H 67 3.854 3.854 3.796 0.058 17578 4147 1 8 . 1 1 32 32 LEU CA C 67 57.859 57.859 57.544 0.315 17578 4148 1 8 . 1 1 32 32 LEU CB C 67 42.442 42.442 41.901 0.541 17578 4149 1 8 . 1 1 32 32 LEU H H 67 8.376 8.376 7.745 0.631 17578 4150 1 8 . 1 1 33 33 ARG N N 68 116.045 116.045 116.611 -0.566 17578 4151 1 8 . 1 1 33 33 ARG HA H 68 3.802 3.802 3.900 -0.098 17578 4152 1 8 . 1 1 33 33 ARG CA C 68 59.306 59.306 58.270 1.036 17578 4153 1 8 . 1 1 33 33 ARG CB C 68 29.759 29.759 30.383 -0.624 17578 4154 1 8 . 1 1 33 33 ARG H H 68 8.091 8.091 7.851 0.240 17578 4155 1 8 . 1 1 34 34 LYS N N 69 117.845 117.845 117.162 0.683 17578 4156 1 8 . 1 1 34 34 LYS HA H 69 4.255 4.255 4.101 0.154 17578 4157 1 8 . 1 1 34 34 LYS C C 69 176.831 176.831 177.617 -0.786 17578 4158 1 8 . 1 1 34 34 LYS CA C 69 56.548 56.548 57.480 -0.932 17578 4159 1 8 . 1 1 34 34 LYS CB C 69 32.710 32.710 33.058 -0.348 17578 4160 1 8 . 1 1 34 34 LYS H H 69 7.616 7.616 7.910 -0.294 17578 4161 1 8 . 1 1 35 35 GLY N N 70 106.783 106.783 105.263 1.520 17578 4162 1 8 . 1 1 35 35 GLY CA C 70 45.537 45.537 45.385 0.152 17578 4163 1 8 . 1 1 35 35 GLY H H 70 7.739 7.739 8.145 -0.406 17578 4164 1 8 . 1 1 36 36 GLU N N 71 119.424 119.424 118.170 1.254 17578 4165 1 8 . 1 1 36 36 GLU HA H 71 4.226 4.226 4.516 -0.290 17578 4166 1 8 . 1 1 36 36 GLU C C 71 175.400 175.400 176.057 -0.657 17578 4167 1 8 . 1 1 36 36 GLU CA C 71 57.414 57.414 55.273 2.141 17578 4168 1 8 . 1 1 36 36 GLU CB C 71 29.442 29.442 30.181 -0.739 17578 4169 1 8 . 1 1 36 36 GLU H H 71 7.698 7.698 7.973 -0.275 17578 4170 1 8 . 1 1 37 37 LYS N N 72 118.290 118.290 122.167 -3.877 17578 4171 1 8 . 1 1 37 37 LYS HA H 72 4.903 4.903 4.074 0.829 17578 4172 1 8 . 1 1 37 37 LYS C C 72 175.809 175.809 177.027 -1.218 17578 4173 1 8 . 1 1 37 37 LYS CA C 72 53.791 53.791 57.487 -3.696 17578 4174 1 8 . 1 1 37 37 LYS CB C 72 34.781 34.781 32.559 2.222 17578 4175 1 8 . 1 1 37 37 LYS H H 72 8.223 8.223 7.413 0.810 17578 4176 1 8 . 1 1 38 38 GLY N N 73 104.682 104.682 113.559 -8.877 17578 4177 1 8 . 1 1 38 38 GLY C C 73 171.884 171.884 174.003 -2.119 17578 4178 1 8 . 1 1 38 38 GLY CA C 73 46.360 46.360 45.275 1.085 17578 4179 1 8 . 1 1 38 38 GLY H H 73 7.217 7.217 8.433 -1.216 17578 4180 1 8 . 1 1 39 39 LEU N N 74 125.372 125.372 120.996 4.376 17578 4181 1 8 . 1 1 39 39 LEU HA H 74 4.994 4.994 4.853 0.141 17578 4182 1 8 . 1 1 39 39 LEU C C 74 174.380 174.380 175.828 -1.448 17578 4183 1 8 . 1 1 39 39 LEU CA C 74 54.363 54.363 53.188 1.175 17578 4184 1 8 . 1 1 39 39 LEU CB C 74 47.028 47.028 44.966 2.062 17578 4185 1 8 . 1 1 39 39 LEU H H 74 8.945 8.945 8.003 0.942 17578 4186 1 8 . 1 1 40 40 VAL N N 75 130.967 130.967 123.904 7.063 17578 4187 1 8 . 1 1 40 40 VAL HA H 75 4.644 4.644 4.288 0.356 17578 4188 1 8 . 1 1 40 40 VAL C C 75 173.667 173.667 174.687 -1.020 17578 4189 1 8 . 1 1 40 40 VAL CA C 75 62.273 62.273 62.080 0.193 17578 4190 1 8 . 1 1 40 40 VAL CB C 75 32.591 32.591 32.574 0.017 17578 4191 1 8 . 1 1 40 40 VAL H H 75 8.551 8.551 8.654 -0.103 17578 4192 1 8 . 1 1 41 41 VAL N N 76 127.493 127.493 127.918 -0.425 17578 4193 1 8 . 1 1 41 41 VAL HA H 76 4.660 4.660 4.352 0.308 17578 4194 1 8 . 1 1 41 41 VAL C C 76 173.669 173.669 174.769 -1.100 17578 4195 1 8 . 1 1 41 41 VAL CA C 76 60.899 60.899 60.874 0.025 17578 4196 1 8 . 1 1 41 41 VAL CB C 76 33.346 33.346 32.004 1.342 17578 4197 1 8 . 1 1 41 41 VAL H H 76 8.804 8.804 9.129 -0.325 17578 4198 1 8 . 1 1 42 42 ILE N N 77 125.646 125.646 127.029 -1.383 17578 4199 1 8 . 1 1 42 42 ILE HA H 77 4.444 4.444 4.441 0.003 17578 4200 1 8 . 1 1 42 42 ILE C C 77 174.817 174.817 174.504 0.313 17578 4201 1 8 . 1 1 42 42 ILE CA C 77 59.700 59.700 58.421 1.279 17578 4202 1 8 . 1 1 42 42 ILE CB C 77 39.977 39.977 39.481 0.496 17578 4203 1 8 . 1 1 42 42 ILE H H 77 8.613 8.613 8.359 0.254 17578 4204 1 8 . 1 1 43 43 ALA N N 78 128.691 128.691 127.769 0.922 17578 4205 1 8 . 1 1 43 43 ALA HA H 78 4.459 4.459 5.170 -0.711 17578 4206 1 8 . 1 1 43 43 ALA C C 78 177.584 177.584 178.359 -0.775 17578 4207 1 8 . 1 1 43 43 ALA CA C 78 52.372 52.372 50.325 2.047 17578 4208 1 8 . 1 1 43 43 ALA CB C 78 19.504 19.504 20.566 -1.062 17578 4209 1 8 . 1 1 43 43 ALA H H 78 8.565 8.565 8.770 -0.205 17578 4210 1 8 . 1 1 44 44 GLY N N 79 103.957 103.957 108.113 -4.156 17578 4211 1 8 . 1 1 44 44 GLY C C 79 173.252 173.252 174.044 -0.792 17578 4212 1 8 . 1 1 44 44 GLY CA C 79 45.764 45.764 46.182 -0.418 17578 4213 1 8 . 1 1 44 44 GLY H H 79 9.083 9.083 8.831 0.252 17578 4214 1 8 . 1 1 45 45 ASP N N 80 118.632 118.632 120.433 -1.801 17578 4215 1 8 . 1 1 45 45 ASP HA H 80 4.918 4.918 4.923 -0.005 17578 4216 1 8 . 1 1 45 45 ASP CA C 80 52.689 52.689 53.791 -1.102 17578 4217 1 8 . 1 1 45 45 ASP CB C 80 39.118 39.118 41.526 -2.408 17578 4218 1 8 . 1 1 45 45 ASP H H 80 8.695 8.695 8.138 0.557 17578 4219 1 8 . 1 1 46 46 ILE N N 81 117.935 117.935 119.075 -1.140 17578 4220 1 8 . 1 1 46 46 ILE HA H 81 4.179 4.179 4.314 -0.135 17578 4221 1 8 . 1 1 46 46 ILE C C 81 172.890 172.890 174.412 -1.522 17578 4222 1 8 . 1 1 46 46 ILE CA C 81 59.242 59.242 60.517 -1.275 17578 4223 1 8 . 1 1 46 46 ILE CB C 81 39.253 39.253 40.815 -1.562 17578 4224 1 8 . 1 1 46 46 ILE H H 81 6.730 6.730 7.701 -0.971 17578 4225 1 8 . 1 1 47 47 TRP N N 82 123.585 123.585 123.971 -0.386 17578 4226 1 8 . 1 1 47 47 TRP HA H 82 4.587 4.587 5.267 -0.680 17578 4227 1 8 . 1 1 47 47 TRP CA C 82 55.386 55.386 55.136 0.250 17578 4228 1 8 . 1 1 47 47 TRP CB C 82 32.147 32.147 28.896 3.251 17578 4229 1 8 . 1 1 47 47 TRP H H 82 7.804 7.804 7.901 -0.097 17578 4230 1 8 . 1 1 48 48 PRO HA H 83 4.248 4.248 4.814 -0.566 17578 4231 1 8 . 1 1 48 48 PRO CA C 83 62.712 62.712 62.623 0.089 17578 4232 1 8 . 1 1 48 48 PRO CB C 83 34.011 34.011 33.028 0.983 17578 4233 1 8 . 1 1 49 49 ALA N N 84 121.827 121.827 119.690 2.137 17578 4234 1 8 . 1 1 49 49 ALA HA H 84 3.969 3.969 4.302 -0.333 17578 4235 1 8 . 1 1 49 49 ALA CA C 84 54.183 54.183 53.081 1.102 17578 4236 1 8 . 1 1 49 49 ALA CB C 84 19.404 19.404 18.473 0.931 17578 4237 1 8 . 1 1 49 49 ALA H H 84 8.198 8.198 8.462 -0.264 17578 4238 1 8 . 1 1 50 50 ASP N N 85 114.049 114.049 118.738 -4.689 17578 4239 1 8 . 1 1 50 50 ASP HA H 85 4.301 4.301 4.384 -0.083 17578 4240 1 8 . 1 1 50 50 ASP C C 85 177.428 177.428 178.391 -0.963 17578 4241 1 8 . 1 1 50 50 ASP CA C 85 55.777 55.777 56.898 -1.121 17578 4242 1 8 . 1 1 50 50 ASP CB C 85 40.060 40.060 39.513 0.547 17578 4243 1 8 . 1 1 50 50 ASP H H 85 8.008 8.008 8.904 -0.896 17578 4244 1 8 . 1 1 51 51 VAL N N 86 116.790 116.790 115.493 1.297 17578 4245 1 8 . 1 1 51 51 VAL HA H 86 3.841 3.841 3.737 0.104 17578 4246 1 8 . 1 1 51 51 VAL C C 86 176.231 176.231 177.679 -1.448 17578 4247 1 8 . 1 1 51 51 VAL CA C 86 65.332 65.332 65.048 0.284 17578 4248 1 8 . 1 1 51 51 VAL CB C 86 32.123 32.123 31.360 0.763 17578 4249 1 8 . 1 1 51 51 VAL H H 86 7.542 7.542 7.261 0.281 17578 4250 1 8 . 1 1 52 52 ILE N N 87 107.529 107.529 119.675 -12.146 17578 4251 1 8 . 1 1 52 52 ILE HA H 87 4.638 4.638 3.744 0.894 17578 4252 1 8 . 1 1 52 52 ILE C C 87 178.026 178.026 177.912 0.114 17578 4253 1 8 . 1 1 52 52 ILE CA C 87 59.806 59.806 63.771 -3.965 17578 4254 1 8 . 1 1 52 52 ILE CB C 87 40.742 40.742 36.603 4.139 17578 4255 1 8 . 1 1 52 52 ILE H H 87 7.310 7.310 8.502 -1.192 17578 4256 1 8 . 1 1 53 53 SER N N 88 116.004 116.004 115.196 0.808 17578 4257 1 8 . 1 1 53 53 SER HA H 88 4.566 4.566 4.325 0.241 17578 4258 1 8 . 1 1 53 53 SER CA C 88 61.760 61.760 60.820 0.940 17578 4259 1 8 . 1 1 53 53 SER CB C 88 62.391 62.391 63.731 -1.340 17578 4260 1 8 . 1 1 53 53 SER H H 88 7.827 7.827 8.196 -0.369 17578 4261 1 8 . 1 1 54 54 HIS HA H 89 4.572 4.572 4.389 0.183 17578 4262 1 8 . 1 1 54 54 HIS CA C 89 56.789 56.789 59.795 -3.006 17578 4263 1 8 . 1 1 54 54 HIS CB C 89 30.527 30.527 29.671 0.856 17578 4264 1 8 . 1 1 55 55 ILE N N 90 120.579 120.579 121.319 -0.740 17578 4265 1 8 . 1 1 55 55 ILE HA H 90 3.512 3.512 3.721 -0.209 17578 4266 1 8 . 1 1 55 55 ILE CA C 90 65.424 65.424 67.003 -1.579 17578 4267 1 8 . 1 1 55 55 ILE CB C 90 34.176 34.176 35.839 -1.663 17578 4268 1 8 . 1 1 55 55 ILE H H 90 7.764 7.764 8.168 -0.404 17578 4269 1 8 . 1 1 56 56 PRO HA H 91 2.942 2.942 4.380 -1.438 17578 4270 1 8 . 1 1 56 56 PRO C C 91 177.032 177.032 178.771 -1.739 17578 4271 1 8 . 1 1 56 56 PRO CA C 91 66.842 66.842 65.934 0.908 17578 4272 1 8 . 1 1 56 56 PRO CB C 91 31.206 31.206 31.385 -0.179 17578 4273 1 8 . 1 1 57 57 VAL N N 92 114.379 114.379 119.204 -4.825 17578 4274 1 8 . 1 1 57 57 VAL HA H 92 3.574 3.574 3.796 -0.222 17578 4275 1 8 . 1 1 57 57 VAL CA C 92 65.900 65.900 65.746 0.154 17578 4276 1 8 . 1 1 57 57 VAL CB C 92 31.600 31.600 31.866 -0.266 17578 4277 1 8 . 1 1 57 57 VAL H H 92 6.497 6.497 7.684 -1.187 17578 4278 1 8 . 1 1 58 58 LEU N N 93 120.522 120.522 119.379 1.143 17578 4279 1 8 . 1 1 58 58 LEU HA H 93 4.227 4.227 4.244 -0.017 17578 4280 1 8 . 1 1 58 58 LEU C C 93 180.251 180.251 178.185 2.066 17578 4281 1 8 . 1 1 58 58 LEU CA C 93 57.838 57.838 58.182 -0.344 17578 4282 1 8 . 1 1 58 58 LEU CB C 93 43.172 43.172 41.442 1.730 17578 4283 1 8 . 1 1 58 58 LEU H H 93 7.460 7.460 7.765 -0.305 17578 4284 1 8 . 1 1 59 59 CYS N N 94 117.195 117.195 118.845 -1.650 17578 4285 1 8 . 1 1 59 59 CYS HA H 94 3.867 3.867 4.403 -0.536 17578 4286 1 8 . 1 1 59 59 CYS C C 94 176.362 176.362 176.651 -0.289 17578 4287 1 8 . 1 1 59 59 CYS CA C 94 65.379 65.379 62.606 2.773 17578 4288 1 8 . 1 1 59 59 CYS CB C 94 26.344 26.344 27.092 -0.748 17578 4289 1 8 . 1 1 59 59 CYS H H 94 8.335 8.335 8.143 0.192 17578 4290 1 8 . 1 1 60 60 GLU N N 95 120.777 120.777 119.517 1.260 17578 4291 1 8 . 1 1 60 60 GLU HA H 95 4.209 4.209 4.152 0.057 17578 4292 1 8 . 1 1 60 60 GLU CA C 95 59.760 59.760 58.635 1.125 17578 4293 1 8 . 1 1 60 60 GLU CB C 95 29.201 29.201 29.857 -0.656 17578 4294 1 8 . 1 1 60 60 GLU H H 95 8.235 8.235 8.248 -0.013 17578 4295 1 8 . 1 1 61 61 ASP N N 96 120.910 120.910 118.323 2.587 17578 4296 1 8 . 1 1 61 61 ASP HA H 96 4.292 4.292 4.641 -0.349 17578 4297 1 8 . 1 1 61 61 ASP C C 96 177.890 177.890 177.313 0.577 17578 4298 1 8 . 1 1 61 61 ASP CA C 96 57.235 57.235 56.084 1.151 17578 4299 1 8 . 1 1 61 61 ASP CB C 96 40.580 40.580 41.239 -0.659 17578 4300 1 8 . 1 1 61 61 ASP H H 96 8.509 8.509 7.835 0.674 17578 4301 1 8 . 1 1 62 62 HIS N N 97 115.923 115.923 118.672 -2.749 17578 4302 1 8 . 1 1 62 62 HIS HA H 97 4.495 4.495 4.693 -0.198 17578 4303 1 8 . 1 1 62 62 HIS C C 97 173.548 173.548 175.112 -1.564 17578 4304 1 8 . 1 1 62 62 HIS CA C 97 57.290 57.290 55.746 1.544 17578 4305 1 8 . 1 1 62 62 HIS CB C 97 29.997 29.997 32.616 -2.619 17578 4306 1 8 . 1 1 62 62 HIS H H 97 7.635 7.635 8.003 -0.368 17578 4307 1 8 . 1 1 63 63 SER N N 98 114.634 114.634 113.467 1.167 17578 4308 1 8 . 1 1 63 63 SER HA H 98 4.489 4.489 4.098 0.391 17578 4309 1 8 . 1 1 63 63 SER C C 98 173.949 173.949 172.270 1.679 17578 4310 1 8 . 1 1 63 63 SER CA C 98 58.842 58.842 59.070 -0.228 17578 4311 1 8 . 1 1 63 63 SER CB C 98 61.396 61.396 62.265 -0.869 17578 4312 1 8 . 1 1 63 63 SER H H 98 7.888 7.888 8.007 -0.119 17578 4313 1 8 . 1 1 64 64 VAL N N 99 123.090 123.090 123.975 -0.885 17578 4314 1 8 . 1 1 64 64 VAL HA H 99 4.721 4.721 4.216 0.505 17578 4315 1 8 . 1 1 64 64 VAL CA C 99 58.978 58.978 58.723 0.255 17578 4316 1 8 . 1 1 64 64 VAL CB C 99 35.228 35.228 35.094 0.134 17578 4317 1 8 . 1 1 64 64 VAL H H 99 8.590 8.590 7.861 0.729 17578 4318 1 8 . 1 1 65 65 PRO HA H 100 4.263 4.263 4.099 0.164 17578 4319 1 8 . 1 1 65 65 PRO C C 100 173.191 173.191 175.536 -2.345 17578 4320 1 8 . 1 1 65 65 PRO CA C 100 63.427 63.427 62.548 0.879 17578 4321 1 8 . 1 1 65 65 PRO CB C 100 31.863 31.863 32.041 -0.178 17578 4322 1 8 . 1 1 66 66 TYR N N 101 114.702 114.702 119.856 -5.154 17578 4323 1 8 . 1 1 66 66 TYR HA H 101 5.925 5.925 5.606 0.319 17578 4324 1 8 . 1 1 66 66 TYR CA C 101 53.501 53.501 55.337 -1.837 17578 4325 1 8 . 1 1 66 66 TYR CB C 101 41.793 41.793 41.550 0.243 17578 4326 1 8 . 1 1 66 66 TYR H H 101 6.243 6.243 7.386 -1.143 17578 4327 1 8 . 1 1 67 67 ILE N N 102 111.885 111.885 115.461 -3.576 17578 4328 1 8 . 1 1 67 67 ILE HA H 102 4.502 4.502 4.495 0.007 17578 4329 1 8 . 1 1 67 67 ILE C C 102 172.358 172.358 174.132 -1.774 17578 4330 1 8 . 1 1 67 67 ILE CA C 102 55.442 55.442 60.706 -5.264 17578 4331 1 8 . 1 1 67 67 ILE CB C 102 43.124 43.124 42.680 0.444 17578 4332 1 8 . 1 1 67 67 ILE H H 102 7.986 7.986 8.542 -0.556 17578 4333 1 8 . 1 1 68 68 PHE N N 103 122.274 122.274 126.077 -3.803 17578 4334 1 8 . 1 1 68 68 PHE HA H 103 5.087 5.087 4.990 0.097 17578 4335 1 8 . 1 1 68 68 PHE C C 103 176.173 176.173 174.227 1.946 17578 4336 1 8 . 1 1 68 68 PHE CA C 103 56.103 56.103 56.814 -0.711 17578 4337 1 8 . 1 1 68 68 PHE CB C 103 39.891 39.891 40.312 -0.421 17578 4338 1 8 . 1 1 68 68 PHE H H 103 8.108 8.108 8.452 -0.344 17578 4339 1 8 . 1 1 69 69 ILE N N 104 114.613 114.613 122.524 -7.911 17578 4340 1 8 . 1 1 69 69 ILE HA H 104 4.927 4.927 4.567 0.360 17578 4341 1 8 . 1 1 69 69 ILE CA C 104 57.831 57.831 57.165 0.666 17578 4342 1 8 . 1 1 69 69 ILE CB C 104 38.302 38.302 39.124 -0.822 17578 4343 1 8 . 1 1 69 69 ILE H H 104 8.843 8.843 8.358 0.485 17578 4344 1 8 . 1 1 70 70 PRO HA H 105 4.093 4.093 4.489 -0.396 17578 4345 1 8 . 1 1 70 70 PRO CA C 105 66.439 66.439 63.268 3.171 17578 4346 1 8 . 1 1 70 70 PRO CB C 105 32.879 32.879 32.565 0.314 17578 4347 1 8 . 1 1 71 71 SER N N 106 106.896 106.896 113.031 -6.135 17578 4348 1 8 . 1 1 71 71 SER HA H 106 5.227 5.227 4.508 0.719 17578 4349 1 8 . 1 1 71 71 SER CA C 106 55.373 55.373 60.501 -5.128 17578 4350 1 8 . 1 1 71 71 SER CB C 106 64.696 64.696 63.817 0.879 17578 4351 1 8 . 1 1 71 71 SER H H 106 7.548 7.548 8.551 -1.003 17578 4352 1 8 . 1 1 72 72 LYS N N 107 119.881 119.881 121.946 -2.065 17578 4353 1 8 . 1 1 72 72 LYS HA H 107 4.191 4.191 3.868 0.323 17578 4354 1 8 . 1 1 72 72 LYS CA C 107 58.623 58.623 59.717 -1.094 17578 4355 1 8 . 1 1 72 72 LYS CB C 107 30.957 30.957 31.218 -0.261 17578 4356 1 8 . 1 1 72 72 LYS H H 107 8.328 8.328 8.549 -0.221 17578 4357 1 8 . 1 1 73 73 GLN N N 108 123.720 123.720 118.167 5.553 17578 4358 1 8 . 1 1 73 73 GLN HA H 108 4.013 4.013 4.184 -0.171 17578 4359 1 8 . 1 1 73 73 GLN CA C 108 58.621 58.621 58.894 -0.273 17578 4360 1 8 . 1 1 73 73 GLN CB C 108 28.331 28.331 27.931 0.400 17578 4361 1 8 . 1 1 73 73 GLN H H 108 8.543 8.543 8.252 0.291 17578 4362 1 8 . 1 1 74 74 ASP N N 109 121.068 121.068 119.626 1.442 17578 4363 1 8 . 1 1 74 74 ASP HA H 109 4.353 4.353 4.305 0.048 17578 4364 1 8 . 1 1 74 74 ASP CA C 109 56.941 56.941 57.746 -0.805 17578 4365 1 8 . 1 1 74 74 ASP CB C 109 40.403 40.403 40.534 -0.131 17578 4366 1 8 . 1 1 74 74 ASP H H 109 7.998 7.998 8.478 -0.480 17578 4367 1 8 . 1 1 75 75 LEU N N 110 120.670 120.670 119.528 1.142 17578 4368 1 8 . 1 1 75 75 LEU HA H 110 3.967 3.967 4.188 -0.221 17578 4369 1 8 . 1 1 75 75 LEU C C 110 178.753 178.753 179.484 -0.731 17578 4370 1 8 . 1 1 75 75 LEU CA C 110 57.080 57.080 57.113 -0.033 17578 4371 1 8 . 1 1 75 75 LEU CB C 110 41.235 41.235 40.828 0.407 17578 4372 1 8 . 1 1 75 75 LEU H H 110 7.999 7.999 7.895 0.104 17578 4373 1 8 . 1 1 76 76 GLY N N 111 105.512 105.512 107.094 -1.582 17578 4374 1 8 . 1 1 76 76 GLY C C 111 175.517 175.517 176.260 -0.743 17578 4375 1 8 . 1 1 76 76 GLY CA C 111 46.745 46.745 47.373 -0.628 17578 4376 1 8 . 1 1 76 76 GLY H H 111 8.012 8.012 7.967 0.045 17578 4377 1 8 . 1 1 77 77 ALA N N 112 122.891 122.891 125.180 -2.289 17578 4378 1 8 . 1 1 77 77 ALA HA H 112 4.180 4.180 4.120 0.060 17578 4379 1 8 . 1 1 77 77 ALA CA C 112 53.652 53.652 54.669 -1.017 17578 4380 1 8 . 1 1 77 77 ALA CB C 112 18.482 18.482 18.369 0.113 17578 4381 1 8 . 1 1 77 77 ALA H H 112 7.785 7.785 8.143 -0.358 17578 4382 1 8 . 1 1 78 78 ALA N N 113 121.205 121.205 119.513 1.692 17578 4383 1 8 . 1 1 78 78 ALA HA H 113 4.213 4.213 4.042 0.171 17578 4384 1 8 . 1 1 78 78 ALA CA C 113 53.503 53.503 53.369 0.134 17578 4385 1 8 . 1 1 78 78 ALA CB C 113 18.897 18.897 19.511 -0.614 17578 4386 1 8 . 1 1 78 78 ALA H H 113 7.787 7.787 7.723 0.064 17578 4387 1 8 . 1 1 79 79 GLY N N 114 104.082 104.082 102.412 1.670 17578 4388 1 8 . 1 1 79 79 GLY CA C 114 44.764 44.764 44.964 -0.200 17578 4389 1 8 . 1 1 79 79 GLY H H 114 7.756 7.756 7.747 0.009 17578 4390 1 8 . 1 1 80 80 ALA HA H 115 4.061 4.061 4.787 -0.726 17578 4391 1 8 . 1 1 80 80 ALA CA C 115 53.192 53.192 51.907 1.285 17578 4392 1 8 . 1 1 80 80 ALA CB C 115 19.493 19.493 20.744 -1.251 17578 4393 1 8 . 1 1 81 81 THR N N 116 116.258 116.258 114.541 1.717 17578 4394 1 8 . 1 1 81 81 THR CA C 116 57.223 57.223 61.709 -4.486 17578 4395 1 8 . 1 1 81 81 THR CB C 116 64.784 64.784 68.622 -3.838 17578 4396 1 8 . 1 1 81 81 THR H H 116 8.121 8.121 8.000 0.121 17578 4397 1 8 . 1 1 83 83 ARG N N 118 122.269 122.269 118.081 4.188 17578 4398 1 8 . 1 1 83 83 ARG H H 118 8.128 8.128 7.918 0.210 17578 4399 1 8 . 1 1 85 85 THR N N 120 120.171 120.171 113.151 7.020 17578 4400 1 8 . 1 1 85 85 THR C C 120 172.729 172.729 173.437 -0.708 17578 4401 1 8 . 1 1 85 85 THR H H 120 8.127 8.127 8.215 -0.088 17578 4402 1 8 . 1 1 86 86 SER N N 121 115.808 115.808 114.735 1.073 17578 4403 1 8 . 1 1 86 86 SER HA H 121 4.280 4.280 4.543 -0.263 17578 4404 1 8 . 1 1 86 86 SER CA C 121 59.573 59.573 58.538 1.035 17578 4405 1 8 . 1 1 86 86 SER CB C 121 64.384 64.384 64.326 0.058 17578 4406 1 8 . 1 1 86 86 SER H H 121 7.045 7.045 8.426 -1.381 17578 4407 1 8 . 1 1 87 87 VAL N N 122 115.790 115.790 116.706 -0.916 17578 4408 1 8 . 1 1 87 87 VAL HA H 122 5.203 5.203 4.470 0.734 17578 4409 1 8 . 1 1 87 87 VAL CA C 122 59.412 59.412 60.795 -1.383 17578 4410 1 8 . 1 1 87 87 VAL CB C 122 32.729 32.729 33.187 -0.458 17578 4411 1 8 . 1 1 87 87 VAL H H 122 7.082 7.082 7.337 -0.255 17578 4412 1 8 . 1 1 88 88 VAL N N 123 119.313 119.313 126.736 -7.423 17578 4413 1 8 . 1 1 88 88 VAL HA H 123 5.097 5.097 5.135 -0.038 17578 4414 1 8 . 1 1 88 88 VAL C C 123 172.990 172.990 173.411 -0.421 17578 4415 1 8 . 1 1 88 88 VAL CA C 123 58.925 58.925 59.436 -0.511 17578 4416 1 8 . 1 1 88 88 VAL CB C 123 35.929 35.929 34.715 1.214 17578 4417 1 8 . 1 1 88 88 VAL H H 123 8.948 8.948 8.257 0.691 17578 4418 1 8 . 1 1 89 89 PHE N N 124 122.616 122.616 127.929 -5.313 17578 4419 1 8 . 1 1 89 89 PHE HA H 124 5.641 5.641 5.511 0.130 17578 4420 1 8 . 1 1 89 89 PHE C C 124 174.686 174.686 173.134 1.552 17578 4421 1 8 . 1 1 89 89 PHE CA C 124 52.579 52.579 54.764 -2.185 17578 4422 1 8 . 1 1 89 89 PHE CB C 124 42.392 42.392 42.423 -0.032 17578 4423 1 8 . 1 1 89 89 PHE H H 124 9.065 9.065 9.048 0.017 17578 4424 1 8 . 1 1 90 90 ILE N N 125 127.599 127.599 122.508 5.091 17578 4425 1 8 . 1 1 90 90 ILE HA H 125 4.268 4.268 3.807 0.461 17578 4426 1 8 . 1 1 90 90 ILE C C 125 173.652 173.652 175.005 -1.353 17578 4427 1 8 . 1 1 90 90 ILE CA C 125 61.605 61.605 59.863 1.742 17578 4428 1 8 . 1 1 90 90 ILE CB C 125 39.533 39.533 38.477 1.056 17578 4429 1 8 . 1 1 90 90 ILE H H 125 9.498 9.498 8.835 0.663 17578 4430 1 8 . 1 1 91 91 VAL N N 126 126.693 126.693 125.083 1.610 17578 4431 1 8 . 1 1 91 91 VAL HA H 126 4.595 4.595 4.658 -0.063 17578 4432 1 8 . 1 1 91 91 VAL CA C 126 58.380 58.380 59.035 -0.655 17578 4433 1 8 . 1 1 91 91 VAL CB C 126 32.597 32.597 32.751 -0.154 17578 4434 1 8 . 1 1 91 91 VAL H H 126 8.169 8.169 8.665 -0.496 17578 4435 1 8 . 1 1 92 92 PRO HA H 127 4.044 4.044 4.406 -0.362 17578 4436 1 8 . 1 1 92 92 PRO CA C 127 63.380 63.380 62.770 0.610 17578 4437 1 8 . 1 1 92 92 PRO CB C 127 31.735 31.735 29.984 1.751 17578 4438 1 8 . 1 1 93 93 GLY N N 128 108.589 108.589 113.788 -5.199 17578 4439 1 8 . 1 1 93 93 GLY CA C 128 45.443 45.443 45.833 -0.390 17578 4440 1 8 . 1 1 93 93 GLY H H 128 8.022 8.022 8.496 -0.474 17578 4441 1 8 . 1 1 94 94 SER N N 129 113.115 113.115 116.494 -3.379 17578 4442 1 8 . 1 1 94 94 SER H H 129 7.992 7.992 7.767 0.225 17578 4443 1 8 . 1 1 95 95 ASN N N 130 120.738 120.738 120.600 0.138 17578 4444 1 8 . 1 1 95 95 ASN C C 130 178.419 178.419 176.181 2.238 17578 4445 1 8 . 1 1 95 95 ASN CA C 130 57.337 57.337 56.301 1.036 17578 4446 1 8 . 1 1 95 95 ASN CB C 130 41.958 41.958 38.495 3.463 17578 4447 1 8 . 1 1 95 95 ASN H H 130 8.313 8.313 8.798 -0.485 17578 4448 1 8 . 1 1 96 96 LYS N N 131 119.159 119.159 117.230 1.929 17578 4449 1 8 . 1 1 96 96 LYS HA H 131 4.021 4.021 4.321 -0.300 17578 4450 1 8 . 1 1 96 96 LYS CA C 131 58.749 58.749 57.222 1.527 17578 4451 1 8 . 1 1 96 96 LYS CB C 131 29.565 29.565 32.671 -3.106 17578 4452 1 8 . 1 1 96 96 LYS H H 131 7.881 7.881 7.589 0.292 17578 4453 1 8 . 1 1 97 97 LYS N N 132 117.399 117.399 121.029 -3.630 17578 4454 1 8 . 1 1 97 97 LYS CA C 132 58.413 58.413 58.640 -0.227 17578 4455 1 8 . 1 1 97 97 LYS CB C 132 30.694 30.694 32.141 -1.447 17578 4456 1 8 . 1 1 97 97 LYS H H 132 7.765 7.765 8.203 -0.438 17578 4457 1 8 . 1 1 98 98 LYS N N 133 119.160 119.160 117.201 1.959 17578 4458 1 8 . 1 1 98 98 LYS CA C 133 58.266 58.266 58.710 -0.444 17578 4459 1 8 . 1 1 98 98 LYS CB C 133 30.981 30.981 31.897 -0.916 17578 4460 1 8 . 1 1 98 98 LYS H H 133 8.070 8.070 7.674 0.396 17578 4461 1 8 . 1 1 99 99 ASP N N 134 120.602 120.602 119.455 1.147 17578 4462 1 8 . 1 1 99 99 ASP CA C 134 55.586 55.586 53.155 2.431 17578 4463 1 8 . 1 1 99 99 ASP CB C 134 41.898 41.898 40.868 1.030 17578 4464 1 8 . 1 1 99 99 ASP H H 134 8.255 8.255 7.592 0.663 17578 4465 1 8 . 1 1 100 100 GLY N N 135 108.785 108.785 107.930 0.855 17578 4466 1 8 . 1 1 100 100 GLY CA C 135 45.536 45.536 44.682 0.854 17578 4467 1 8 . 1 1 100 100 GLY H H 135 8.451 8.451 7.727 0.724 17578 4468 1 8 . 1 1 101 101 LYS N N 136 120.171 120.171 119.682 0.489 17578 4469 1 8 . 1 1 101 101 LYS H H 136 8.127 8.127 8.317 -0.190 17578 4470 1 8 . 1 1 102 102 ASN N N 137 118.588 118.588 121.330 -2.742 17578 4471 1 8 . 1 1 102 102 ASN H H 137 8.481 8.481 8.631 -0.150 17578 4472 1 8 . 1 1 103 103 LYS N N 138 121.739 121.739 121.517 0.222 17578 4473 1 8 . 1 1 103 103 LYS HA H 138 4.241 4.241 4.040 0.201 17578 4474 1 8 . 1 1 103 103 LYS CA C 138 56.760 56.760 58.450 -1.690 17578 4475 1 8 . 1 1 103 103 LYS CB C 138 32.691 32.691 31.626 1.065 17578 4476 1 8 . 1 1 103 103 LYS H H 138 8.318 8.318 8.514 -0.196 17578 4477 1 8 . 1 1 104 104 GLU N N 139 120.980 120.980 120.097 0.883 17578 4478 1 8 . 1 1 104 104 GLU CA C 139 57.235 57.235 59.504 -2.269 17578 4479 1 8 . 1 1 104 104 GLU CB C 139 29.893 29.893 29.141 0.752 17578 4480 1 8 . 1 1 104 104 GLU H H 139 8.478 8.478 8.550 -0.072 17578 4481 1 8 . 1 1 107 107 TYR N N 142 119.214 119.214 119.187 0.027 17578 4482 1 8 . 1 1 107 107 TYR HA H 142 5.023 5.023 3.802 1.221 17578 4483 1 8 . 1 1 107 107 TYR C C 142 175.419 175.419 177.986 -2.567 17578 4484 1 8 . 1 1 107 107 TYR CA C 142 57.200 57.200 61.464 -4.264 17578 4485 1 8 . 1 1 107 107 TYR CB C 142 39.165 39.165 37.908 1.257 17578 4486 1 8 . 1 1 107 107 TYR H H 142 7.992 7.992 8.629 -0.637 17578 4487 1 8 . 1 1 108 108 LYS N N 143 123.500 123.500 118.955 4.545 17578 4488 1 8 . 1 1 108 108 LYS HA H 143 3.628 3.628 4.147 -0.519 17578 4489 1 8 . 1 1 108 108 LYS CA C 143 59.619 59.619 59.905 -0.286 17578 4490 1 8 . 1 1 108 108 LYS CB C 143 31.869 31.869 32.306 -0.437 17578 4491 1 8 . 1 1 108 108 LYS H H 143 7.377 7.377 8.217 -0.840 17578 4492 1 8 . 1 1 109 109 GLU N N 144 118.669 118.669 119.570 -0.901 17578 4493 1 8 . 1 1 109 109 GLU HA H 144 4.735 4.735 4.001 0.734 17578 4494 1 8 . 1 1 109 109 GLU CA C 144 59.865 59.865 59.425 0.440 17578 4495 1 8 . 1 1 109 109 GLU CB C 144 29.004 29.004 29.108 -0.104 17578 4496 1 8 . 1 1 109 109 GLU H H 144 8.583 8.583 8.198 0.385 17578 4497 1 8 . 1 1 110 110 SER N N 145 116.081 116.081 114.634 1.447 17578 4498 1 8 . 1 1 110 110 SER HA H 145 4.448 4.448 4.198 0.250 17578 4499 1 8 . 1 1 110 110 SER CB C 145 64.178 64.178 62.674 1.504 17578 4500 1 8 . 1 1 110 110 SER H H 145 8.117 8.117 7.794 0.323 17578 4501 1 8 . 1 1 111 111 PHE N N 146 122.134 122.134 122.174 -0.040 17578 4502 1 8 . 1 1 111 111 PHE HA H 146 4.022 4.022 4.150 -0.128 17578 4503 1 8 . 1 1 111 111 PHE C C 146 175.751 175.751 177.868 -2.117 17578 4504 1 8 . 1 1 111 111 PHE CA C 146 62.159 62.159 60.984 1.175 17578 4505 1 8 . 1 1 111 111 PHE CB C 146 39.533 39.533 38.182 1.351 17578 4506 1 8 . 1 1 111 111 PHE H H 146 8.553 8.553 7.939 0.614 17578 4507 1 8 . 1 1 112 112 ASN N N 147 117.856 117.856 116.988 0.868 17578 4508 1 8 . 1 1 112 112 ASN HA H 147 4.269 4.269 4.492 -0.223 17578 4509 1 8 . 1 1 112 112 ASN CA C 147 55.881 55.881 56.280 -0.399 17578 4510 1 8 . 1 1 112 112 ASN CB C 147 37.663 37.663 38.010 -0.347 17578 4511 1 8 . 1 1 112 112 ASN H H 147 8.809 8.809 8.687 0.122 17578 4512 1 8 . 1 1 113 113 GLU N N 148 119.708 119.708 120.328 -0.620 17578 4513 1 8 . 1 1 113 113 GLU HA H 148 4.021 4.021 4.008 0.013 17578 4514 1 8 . 1 1 113 113 GLU CA C 148 59.385 59.385 59.665 -0.280 17578 4515 1 8 . 1 1 113 113 GLU CB C 148 29.784 29.784 29.586 0.198 17578 4516 1 8 . 1 1 113 113 GLU H H 148 7.778 7.778 8.010 -0.232 17578 4517 1 8 . 1 1 114 114 VAL N N 149 119.680 119.680 119.073 0.607 17578 4518 1 8 . 1 1 114 114 VAL HA H 149 3.556 3.556 3.745 -0.189 17578 4519 1 8 . 1 1 114 114 VAL CA C 149 66.625 66.625 66.672 -0.047 17578 4520 1 8 . 1 1 114 114 VAL CB C 149 31.368 31.368 31.644 -0.276 17578 4521 1 8 . 1 1 114 114 VAL H H 149 8.023 8.023 8.145 -0.122 17578 4522 1 8 . 1 1 115 115 VAL N N 150 119.684 119.684 116.611 3.073 17578 4523 1 8 . 1 1 115 115 VAL HA H 150 3.163 3.163 3.725 -0.562 17578 4524 1 8 . 1 1 115 115 VAL C C 150 177.270 177.270 178.187 -0.917 17578 4525 1 8 . 1 1 115 115 VAL CA C 150 67.984 67.984 66.113 1.871 17578 4526 1 8 . 1 1 115 115 VAL CB C 150 30.848 30.848 31.424 -0.576 17578 4527 1 8 . 1 1 115 115 VAL H H 150 8.480 8.480 8.126 0.354 17578 4528 1 8 . 1 1 116 116 LYS N N 151 118.648 118.648 120.142 -1.494 17578 4529 1 8 . 1 1 116 116 LYS HA H 151 4.027 4.027 4.054 -0.027 17578 4530 1 8 . 1 1 116 116 LYS CA C 151 59.691 59.691 59.153 0.538 17578 4531 1 8 . 1 1 116 116 LYS CB C 151 32.346 32.346 31.791 0.555 17578 4532 1 8 . 1 1 116 116 LYS H H 151 7.584 7.584 8.277 -0.693 17578 4533 1 8 . 1 1 117 117 GLU N N 152 120.177 120.177 120.147 0.030 17578 4534 1 8 . 1 1 117 117 GLU HA H 152 4.046 4.046 4.036 0.010 17578 4535 1 8 . 1 1 117 117 GLU CA C 152 59.932 59.932 59.587 0.345 17578 4536 1 8 . 1 1 117 117 GLU CB C 152 29.663 29.663 29.812 -0.149 17578 4537 1 8 . 1 1 117 117 GLU H H 152 7.528 7.528 7.806 -0.278 17578 4538 1 8 . 1 1 118 118 VAL N N 153 120.413 120.413 120.036 0.377 17578 4539 1 8 . 1 1 118 118 VAL HA H 153 3.421 3.421 3.879 -0.458 17578 4540 1 8 . 1 1 118 118 VAL CA C 153 67.196 67.196 65.306 1.890 17578 4541 1 8 . 1 1 118 118 VAL CB C 153 31.600 31.600 32.206 -0.606 17578 4542 1 8 . 1 1 118 118 VAL H H 153 8.665 8.665 7.876 0.789 17578 4543 1 8 . 1 1 119 119 GLN N N 154 118.232 118.232 118.887 -0.655 17578 4544 1 8 . 1 1 119 119 GLN HA H 154 3.982 3.982 4.190 -0.208 17578 4545 1 8 . 1 1 119 119 GLN CA C 154 59.651 59.651 57.468 2.183 17578 4546 1 8 . 1 1 119 119 GLN CB C 154 28.478 28.478 29.291 -0.813 17578 4547 1 8 . 1 1 119 119 GLN H H 154 8.950 8.950 7.901 1.049 17578 4548 1 8 . 1 1 120 120 ALA N N 155 120.568 120.568 121.540 -0.972 17578 4549 1 8 . 1 1 120 120 ALA HA H 155 4.223 4.223 4.294 -0.071 17578 4550 1 8 . 1 1 120 120 ALA CA C 155 55.071 55.071 52.615 2.455 17578 4551 1 8 . 1 1 120 120 ALA CB C 155 17.952 17.952 19.570 -1.618 17578 4552 1 8 . 1 1 120 120 ALA H H 155 7.486 7.486 7.922 -0.436 17578 4553 1 9 . 1 1 2 2 LYS N N 37 124.035 124.035 121.345 2.690 17578 4554 1 9 . 1 1 2 2 LYS HA H 37 4.064 4.064 4.506 -0.442 17578 4555 1 9 . 1 1 2 2 LYS H H 37 7.786 7.786 8.359 -0.573 17578 4556 1 9 . 1 1 3 3 LYS HA H 38 4.026 4.026 4.169 -0.143 17578 4557 1 9 . 1 1 3 3 LYS C C 38 179.176 179.176 177.885 1.291 17578 4558 1 9 . 1 1 3 3 LYS CA C 38 59.781 59.781 58.597 1.184 17578 4559 1 9 . 1 1 3 3 LYS CB C 38 32.626 32.626 31.512 1.114 17578 4560 1 9 . 1 1 4 4 LEU N N 39 122.003 122.003 122.250 -0.247 17578 4561 1 9 . 1 1 4 4 LEU HA H 39 4.159 4.159 3.961 0.198 17578 4562 1 9 . 1 1 4 4 LEU C C 39 178.232 178.232 177.829 0.403 17578 4563 1 9 . 1 1 4 4 LEU CA C 39 57.470 57.470 58.822 -1.352 17578 4564 1 9 . 1 1 4 4 LEU CB C 39 40.343 40.343 41.906 -1.563 17578 4565 1 9 . 1 1 4 4 LEU H H 39 7.877 7.877 8.001 -0.124 17578 4566 1 9 . 1 1 5 5 ASN N N 40 118.692 118.692 116.745 1.947 17578 4567 1 9 . 1 1 5 5 ASN HA H 40 3.997 3.997 4.338 -0.341 17578 4568 1 9 . 1 1 5 5 ASN C C 40 176.054 176.054 177.363 -1.309 17578 4569 1 9 . 1 1 5 5 ASN CA C 40 57.622 57.622 56.209 1.413 17578 4570 1 9 . 1 1 5 5 ASN CB C 40 40.113 40.113 37.416 2.697 17578 4571 1 9 . 1 1 5 5 ASN H H 40 9.313 9.313 7.816 1.497 17578 4572 1 9 . 1 1 6 6 LYS N N 41 115.497 115.497 121.429 -5.932 17578 4573 1 9 . 1 1 6 6 LYS HA H 41 3.928 3.928 3.964 -0.036 17578 4574 1 9 . 1 1 6 6 LYS C C 41 179.133 179.133 179.181 -0.048 17578 4575 1 9 . 1 1 6 6 LYS CA C 41 59.909 59.909 59.325 0.584 17578 4576 1 9 . 1 1 6 6 LYS CB C 41 32.256 32.256 31.951 0.305 17578 4577 1 9 . 1 1 6 6 LYS H H 41 7.230 7.230 7.394 -0.164 17578 4578 1 9 . 1 1 7 7 LYS N N 42 118.961 118.961 119.161 -0.200 17578 4579 1 9 . 1 1 7 7 LYS HA H 42 4.040 4.040 4.029 0.011 17578 4580 1 9 . 1 1 7 7 LYS C C 42 180.272 180.272 179.197 1.075 17578 4581 1 9 . 1 1 7 7 LYS CA C 42 59.988 59.988 59.835 0.153 17578 4582 1 9 . 1 1 7 7 LYS CB C 42 33.462 33.462 32.179 1.283 17578 4583 1 9 . 1 1 7 7 LYS H H 42 7.367 7.367 8.246 -0.879 17578 4584 1 9 . 1 1 8 8 VAL N N 43 122.400 122.400 119.929 2.471 17578 4585 1 9 . 1 1 8 8 VAL HA H 43 3.303 3.303 3.893 -0.590 17578 4586 1 9 . 1 1 8 8 VAL CA C 43 67.430 67.430 67.187 0.243 17578 4587 1 9 . 1 1 8 8 VAL CB C 43 31.374 31.374 31.624 -0.250 17578 4588 1 9 . 1 1 8 8 VAL H H 43 9.215 9.215 8.053 1.162 17578 4589 1 9 . 1 1 9 9 LEU N N 44 119.626 119.626 121.096 -1.470 17578 4590 1 9 . 1 1 9 9 LEU HA H 44 3.833 3.833 3.858 -0.025 17578 4591 1 9 . 1 1 9 9 LEU CA C 44 58.453 58.453 58.621 -0.168 17578 4592 1 9 . 1 1 9 9 LEU CB C 44 41.171 41.171 41.718 -0.547 17578 4593 1 9 . 1 1 9 9 LEU H H 44 8.471 8.471 8.489 -0.018 17578 4594 1 9 . 1 1 10 10 LYS N N 45 119.761 119.761 118.181 1.580 17578 4595 1 9 . 1 1 10 10 LYS HA H 45 4.026 4.026 3.981 0.045 17578 4596 1 9 . 1 1 10 10 LYS CA C 45 59.919 59.919 60.024 -0.105 17578 4597 1 9 . 1 1 10 10 LYS CB C 45 32.430 32.430 32.257 0.173 17578 4598 1 9 . 1 1 10 10 LYS H H 45 7.883 7.883 8.152 -0.269 17578 4599 1 9 . 1 1 11 11 THR N N 46 116.469 116.469 117.048 -0.579 17578 4600 1 9 . 1 1 11 11 THR HA H 46 4.339 4.339 3.910 0.429 17578 4601 1 9 . 1 1 11 11 THR C C 46 175.987 175.987 176.344 -0.357 17578 4602 1 9 . 1 1 11 11 THR CB C 46 68.013 68.013 68.130 -0.117 17578 4603 1 9 . 1 1 11 11 THR H H 46 7.805 7.805 8.142 -0.337 17578 4604 1 9 . 1 1 12 12 VAL N N 47 121.907 121.907 120.742 1.165 17578 4605 1 9 . 1 1 12 12 VAL HA H 47 3.232 3.232 3.895 -0.663 17578 4606 1 9 . 1 1 12 12 VAL CA C 47 67.331 67.331 65.884 1.447 17578 4607 1 9 . 1 1 12 12 VAL CB C 47 31.438 31.438 31.609 -0.171 17578 4608 1 9 . 1 1 12 12 VAL H H 47 8.782 8.782 8.680 0.102 17578 4609 1 9 . 1 1 13 13 LYS N N 48 122.393 122.393 118.857 3.536 17578 4610 1 9 . 1 1 13 13 LYS HA H 48 4.258 4.258 4.068 0.190 17578 4611 1 9 . 1 1 13 13 LYS C C 48 179.808 179.808 179.475 0.333 17578 4612 1 9 . 1 1 13 13 LYS CA C 48 59.999 59.999 59.616 0.383 17578 4613 1 9 . 1 1 13 13 LYS CB C 48 32.553 32.553 32.245 0.309 17578 4614 1 9 . 1 1 13 13 LYS H H 48 8.171 8.171 7.970 0.201 17578 4615 1 9 . 1 1 14 14 LYS N N 49 118.852 118.852 118.952 -0.100 17578 4616 1 9 . 1 1 14 14 LYS HA H 49 3.973 3.973 4.144 -0.171 17578 4617 1 9 . 1 1 14 14 LYS CA C 49 59.811 59.811 58.590 1.221 17578 4618 1 9 . 1 1 14 14 LYS CB C 49 33.389 33.389 32.525 0.864 17578 4619 1 9 . 1 1 14 14 LYS H H 49 7.941 7.941 7.959 -0.018 17578 4620 1 9 . 1 1 15 15 ALA N N 50 122.047 122.047 121.823 0.224 17578 4621 1 9 . 1 1 15 15 ALA HA H 50 3.496 3.496 4.272 -0.776 17578 4622 1 9 . 1 1 15 15 ALA CA C 50 54.709 54.709 54.016 0.693 17578 4623 1 9 . 1 1 15 15 ALA CB C 50 18.917 18.917 18.881 0.036 17578 4624 1 9 . 1 1 15 15 ALA H H 50 8.544 8.544 7.970 0.574 17578 4625 1 9 . 1 1 16 16 SER N N 51 116.561 116.561 114.760 1.801 17578 4626 1 9 . 1 1 16 16 SER HA H 51 4.730 4.730 4.071 0.659 17578 4627 1 9 . 1 1 16 16 SER C C 51 178.560 178.560 176.735 1.825 17578 4628 1 9 . 1 1 16 16 SER CA C 51 61.680 61.680 61.648 0.032 17578 4629 1 9 . 1 1 16 16 SER CB C 51 62.551 62.551 62.784 -0.233 17578 4630 1 9 . 1 1 16 16 SER H H 51 8.551 8.551 8.421 0.130 17578 4631 1 9 . 1 1 17 17 LYS N N 52 124.890 124.890 123.364 1.526 17578 4632 1 9 . 1 1 17 17 LYS HA H 52 4.072 4.072 4.061 0.011 17578 4633 1 9 . 1 1 17 17 LYS C C 52 177.377 177.377 177.031 0.346 17578 4634 1 9 . 1 1 17 17 LYS CA C 52 58.931 58.931 58.040 0.891 17578 4635 1 9 . 1 1 17 17 LYS CB C 52 31.961 31.961 31.878 0.083 17578 4636 1 9 . 1 1 17 17 LYS H H 52 7.578 7.578 7.889 -0.311 17578 4637 1 9 . 1 1 18 18 ALA N N 53 118.628 118.628 118.638 -0.010 17578 4638 1 9 . 1 1 18 18 ALA HA H 53 4.285 4.285 4.352 -0.067 17578 4639 1 9 . 1 1 18 18 ALA C C 53 175.061 175.061 176.705 -1.644 17578 4640 1 9 . 1 1 18 18 ALA CA C 53 51.822 51.822 51.821 0.001 17578 4641 1 9 . 1 1 18 18 ALA CB C 53 19.390 19.390 18.930 0.460 17578 4642 1 9 . 1 1 18 18 ALA H H 53 7.112 7.112 7.531 -0.419 17578 4643 1 9 . 1 1 19 19 LYS N N 54 111.984 111.984 116.481 -4.497 17578 4644 1 9 . 1 1 19 19 LYS HA H 54 4.026 4.026 3.998 0.028 17578 4645 1 9 . 1 1 19 19 LYS CA C 54 57.222 57.222 57.075 0.147 17578 4646 1 9 . 1 1 19 19 LYS CB C 54 28.387 28.387 30.275 -1.888 17578 4647 1 9 . 1 1 19 19 LYS H H 54 7.653 7.653 7.899 -0.246 17578 4648 1 9 . 1 1 20 20 ASN N N 55 116.088 116.088 115.342 0.746 17578 4649 1 9 . 1 1 20 20 ASN HA H 55 5.102 5.102 4.863 0.239 17578 4650 1 9 . 1 1 20 20 ASN C C 55 172.975 172.975 174.288 -1.313 17578 4651 1 9 . 1 1 20 20 ASN CA C 55 51.215 51.215 52.692 -1.477 17578 4652 1 9 . 1 1 20 20 ASN CB C 55 40.316 40.316 39.299 1.017 17578 4653 1 9 . 1 1 20 20 ASN H H 55 8.118 8.118 7.691 0.427 17578 4654 1 9 . 1 1 21 21 VAL N N 56 114.959 114.959 118.275 -3.316 17578 4655 1 9 . 1 1 21 21 VAL HA H 56 4.938 4.938 4.018 0.920 17578 4656 1 9 . 1 1 21 21 VAL C C 56 175.409 175.409 173.860 1.549 17578 4657 1 9 . 1 1 21 21 VAL CA C 56 60.901 60.901 60.390 0.511 17578 4658 1 9 . 1 1 21 21 VAL CB C 56 35.368 35.368 34.249 1.119 17578 4659 1 9 . 1 1 21 21 VAL H H 56 7.628 7.628 7.459 0.169 17578 4660 1 9 . 1 1 22 22 LYS N N 57 126.485 126.485 127.676 -1.191 17578 4661 1 9 . 1 1 22 22 LYS HA H 57 4.712 4.712 4.657 0.055 17578 4662 1 9 . 1 1 22 22 LYS C C 57 175.394 175.394 174.549 0.845 17578 4663 1 9 . 1 1 22 22 LYS CA C 57 54.485 54.485 53.361 1.124 17578 4664 1 9 . 1 1 22 22 LYS CB C 57 33.669 33.669 35.917 -2.248 17578 4665 1 9 . 1 1 22 22 LYS H H 57 8.987 8.987 8.664 0.323 17578 4666 1 9 . 1 1 23 23 ARG N N 58 122.011 122.011 119.804 2.207 17578 4667 1 9 . 1 1 23 23 ARG HA H 58 4.837 4.837 4.886 -0.049 17578 4668 1 9 . 1 1 23 23 ARG C C 58 175.930 175.930 175.770 0.160 17578 4669 1 9 . 1 1 23 23 ARG CA C 58 55.872 55.872 55.032 0.840 17578 4670 1 9 . 1 1 23 23 ARG CB C 58 33.513 33.513 33.421 0.092 17578 4671 1 9 . 1 1 23 23 ARG H H 58 9.024 9.024 8.551 0.473 17578 4672 1 9 . 1 1 24 24 GLY N N 59 111.007 111.007 111.030 -0.023 17578 4673 1 9 . 1 1 24 24 GLY CA C 59 44.790 44.790 44.374 0.416 17578 4674 1 9 . 1 1 24 24 GLY H H 59 8.315 8.315 8.826 -0.511 17578 4675 1 9 . 1 1 25 25 VAL N N 60 119.423 119.423 121.554 -2.131 17578 4676 1 9 . 1 1 25 25 VAL HA H 60 3.156 3.156 3.562 -0.406 17578 4677 1 9 . 1 1 25 25 VAL C C 60 176.562 176.562 176.484 0.078 17578 4678 1 9 . 1 1 25 25 VAL CA C 60 68.037 68.037 64.949 3.088 17578 4679 1 9 . 1 1 25 25 VAL CB C 60 32.050 32.050 32.047 0.003 17578 4680 1 9 . 1 1 25 25 VAL H H 60 8.152 8.152 8.517 -0.365 17578 4681 1 9 . 1 1 26 26 LYS N N 61 117.316 117.316 119.184 -1.868 17578 4682 1 9 . 1 1 26 26 LYS HA H 61 3.919 3.919 4.087 -0.168 17578 4683 1 9 . 1 1 26 26 LYS C C 61 180.130 180.130 178.816 1.314 17578 4684 1 9 . 1 1 26 26 LYS CA C 61 60.157 60.157 59.140 1.017 17578 4685 1 9 . 1 1 26 26 LYS CB C 61 32.041 32.041 31.901 0.140 17578 4686 1 9 . 1 1 26 26 LYS H H 61 8.156 8.156 8.286 -0.130 17578 4687 1 9 . 1 1 27 27 GLU N N 62 117.535 117.535 118.551 -1.016 17578 4688 1 9 . 1 1 27 27 GLU HA H 62 3.961 3.961 4.260 -0.299 17578 4689 1 9 . 1 1 27 27 GLU CA C 62 58.787 58.787 59.153 -0.366 17578 4690 1 9 . 1 1 27 27 GLU CB C 62 29.843 29.843 29.036 0.807 17578 4691 1 9 . 1 1 27 27 GLU H H 62 8.531 8.531 8.048 0.483 17578 4692 1 9 . 1 1 28 28 VAL N N 63 120.589 120.589 117.395 3.194 17578 4693 1 9 . 1 1 28 28 VAL HA H 63 3.498 3.498 2.550 0.948 17578 4694 1 9 . 1 1 28 28 VAL CA C 63 68.099 68.099 65.847 2.252 17578 4695 1 9 . 1 1 28 28 VAL CB C 63 31.376 31.376 31.290 0.086 17578 4696 1 9 . 1 1 28 28 VAL H H 63 8.255 8.255 8.066 0.189 17578 4697 1 9 . 1 1 29 29 VAL N N 64 118.570 118.570 119.977 -1.407 17578 4698 1 9 . 1 1 29 29 VAL HA H 64 3.359 3.359 3.708 -0.349 17578 4699 1 9 . 1 1 29 29 VAL C C 64 177.549 177.549 177.227 0.322 17578 4700 1 9 . 1 1 29 29 VAL CA C 64 67.456 67.456 65.104 2.352 17578 4701 1 9 . 1 1 29 29 VAL CB C 64 31.233 31.233 31.087 0.146 17578 4702 1 9 . 1 1 29 29 VAL H H 64 8.535 8.535 8.049 0.486 17578 4703 1 9 . 1 1 30 30 LYS N N 65 117.926 117.926 120.798 -2.872 17578 4704 1 9 . 1 1 30 30 LYS HA H 65 3.875 3.875 3.954 -0.079 17578 4705 1 9 . 1 1 30 30 LYS CA C 65 59.811 59.811 59.954 -0.143 17578 4706 1 9 . 1 1 30 30 LYS CB C 65 32.715 32.715 32.316 0.399 17578 4707 1 9 . 1 1 30 30 LYS H H 65 7.538 7.538 7.832 -0.294 17578 4708 1 9 . 1 1 31 31 ALA N N 66 120.475 120.475 121.189 -0.714 17578 4709 1 9 . 1 1 31 31 ALA HA H 66 4.071 4.071 4.161 -0.090 17578 4710 1 9 . 1 1 31 31 ALA C C 66 179.596 179.596 179.397 0.199 17578 4711 1 9 . 1 1 31 31 ALA CA C 66 55.051 55.051 54.810 0.241 17578 4712 1 9 . 1 1 31 31 ALA CB C 66 18.901 18.901 18.257 0.644 17578 4713 1 9 . 1 1 31 31 ALA H H 66 7.496 7.496 7.887 -0.391 17578 4714 1 9 . 1 1 32 32 LEU N N 67 119.357 119.357 119.928 -0.571 17578 4715 1 9 . 1 1 32 32 LEU HA H 67 3.854 3.854 3.719 0.135 17578 4716 1 9 . 1 1 32 32 LEU CA C 67 57.859 57.859 57.475 0.384 17578 4717 1 9 . 1 1 32 32 LEU CB C 67 42.442 42.442 41.798 0.644 17578 4718 1 9 . 1 1 32 32 LEU H H 67 8.376 8.376 7.792 0.584 17578 4719 1 9 . 1 1 33 33 ARG N N 68 116.045 116.045 116.807 -0.762 17578 4720 1 9 . 1 1 33 33 ARG HA H 68 3.802 3.802 3.968 -0.166 17578 4721 1 9 . 1 1 33 33 ARG CA C 68 59.306 59.306 58.201 1.105 17578 4722 1 9 . 1 1 33 33 ARG CB C 68 29.759 29.759 30.366 -0.608 17578 4723 1 9 . 1 1 33 33 ARG H H 68 8.091 8.091 7.775 0.316 17578 4724 1 9 . 1 1 34 34 LYS N N 69 117.845 117.845 116.500 1.345 17578 4725 1 9 . 1 1 34 34 LYS HA H 69 4.255 4.255 4.153 0.102 17578 4726 1 9 . 1 1 34 34 LYS C C 69 176.831 176.831 177.604 -0.773 17578 4727 1 9 . 1 1 34 34 LYS CA C 69 56.548 56.548 57.343 -0.795 17578 4728 1 9 . 1 1 34 34 LYS CB C 69 32.710 32.710 33.326 -0.616 17578 4729 1 9 . 1 1 34 34 LYS H H 69 7.616 7.616 7.817 -0.201 17578 4730 1 9 . 1 1 35 35 GLY N N 70 106.783 106.783 105.083 1.700 17578 4731 1 9 . 1 1 35 35 GLY CA C 70 45.537 45.537 44.943 0.594 17578 4732 1 9 . 1 1 35 35 GLY H H 70 7.739 7.739 8.391 -0.652 17578 4733 1 9 . 1 1 36 36 GLU N N 71 119.424 119.424 117.877 1.547 17578 4734 1 9 . 1 1 36 36 GLU HA H 71 4.226 4.226 4.550 -0.324 17578 4735 1 9 . 1 1 36 36 GLU C C 71 175.400 175.400 176.360 -0.960 17578 4736 1 9 . 1 1 36 36 GLU CA C 71 57.414 57.414 55.370 2.044 17578 4737 1 9 . 1 1 36 36 GLU CB C 71 29.442 29.442 30.374 -0.932 17578 4738 1 9 . 1 1 36 36 GLU H H 71 7.698 7.698 7.831 -0.133 17578 4739 1 9 . 1 1 37 37 LYS N N 72 118.290 118.290 122.203 -3.913 17578 4740 1 9 . 1 1 37 37 LYS HA H 72 4.903 4.903 4.349 0.554 17578 4741 1 9 . 1 1 37 37 LYS C C 72 175.809 175.809 176.277 -0.468 17578 4742 1 9 . 1 1 37 37 LYS CA C 72 53.791 53.791 57.124 -3.333 17578 4743 1 9 . 1 1 37 37 LYS CB C 72 34.781 34.781 32.511 2.270 17578 4744 1 9 . 1 1 37 37 LYS H H 72 8.223 8.223 7.521 0.702 17578 4745 1 9 . 1 1 38 38 GLY N N 73 104.682 104.682 109.020 -4.338 17578 4746 1 9 . 1 1 38 38 GLY C C 73 171.884 171.884 173.893 -2.009 17578 4747 1 9 . 1 1 38 38 GLY CA C 73 46.360 46.360 44.999 1.361 17578 4748 1 9 . 1 1 38 38 GLY H H 73 7.217 7.217 8.253 -1.036 17578 4749 1 9 . 1 1 39 39 LEU N N 74 125.372 125.372 122.424 2.948 17578 4750 1 9 . 1 1 39 39 LEU HA H 74 4.994 4.994 4.898 0.096 17578 4751 1 9 . 1 1 39 39 LEU C C 74 174.380 174.380 176.003 -1.623 17578 4752 1 9 . 1 1 39 39 LEU CA C 74 54.363 54.363 53.486 0.877 17578 4753 1 9 . 1 1 39 39 LEU CB C 74 47.028 47.028 42.654 4.375 17578 4754 1 9 . 1 1 39 39 LEU H H 74 8.945 8.945 8.193 0.752 17578 4755 1 9 . 1 1 40 40 VAL N N 75 130.967 130.967 125.501 5.466 17578 4756 1 9 . 1 1 40 40 VAL HA H 75 4.644 4.644 4.293 0.351 17578 4757 1 9 . 1 1 40 40 VAL C C 75 173.667 173.667 174.580 -0.913 17578 4758 1 9 . 1 1 40 40 VAL CA C 75 62.273 62.273 62.227 0.046 17578 4759 1 9 . 1 1 40 40 VAL CB C 75 32.591 32.591 32.928 -0.337 17578 4760 1 9 . 1 1 40 40 VAL H H 75 8.551 8.551 8.568 -0.017 17578 4761 1 9 . 1 1 41 41 VAL N N 76 127.493 127.493 127.178 0.315 17578 4762 1 9 . 1 1 41 41 VAL HA H 76 4.660 4.660 4.363 0.297 17578 4763 1 9 . 1 1 41 41 VAL C C 76 173.669 173.669 174.792 -1.123 17578 4764 1 9 . 1 1 41 41 VAL CA C 76 60.899 60.899 61.216 -0.317 17578 4765 1 9 . 1 1 41 41 VAL CB C 76 33.346 33.346 32.938 0.408 17578 4766 1 9 . 1 1 41 41 VAL H H 76 8.804 8.804 9.061 -0.257 17578 4767 1 9 . 1 1 42 42 ILE N N 77 125.646 125.646 127.154 -1.508 17578 4768 1 9 . 1 1 42 42 ILE HA H 77 4.444 4.444 4.582 -0.138 17578 4769 1 9 . 1 1 42 42 ILE C C 77 174.817 174.817 174.488 0.329 17578 4770 1 9 . 1 1 42 42 ILE CA C 77 59.700 59.700 58.280 1.420 17578 4771 1 9 . 1 1 42 42 ILE CB C 77 39.977 39.977 39.579 0.398 17578 4772 1 9 . 1 1 42 42 ILE H H 77 8.613 8.613 8.831 -0.218 17578 4773 1 9 . 1 1 43 43 ALA N N 78 128.691 128.691 128.899 -0.208 17578 4774 1 9 . 1 1 43 43 ALA HA H 78 4.459 4.459 5.088 -0.629 17578 4775 1 9 . 1 1 43 43 ALA C C 78 177.584 177.584 177.909 -0.325 17578 4776 1 9 . 1 1 43 43 ALA CA C 78 52.372 52.372 50.052 2.320 17578 4777 1 9 . 1 1 43 43 ALA CB C 78 19.504 19.504 20.326 -0.822 17578 4778 1 9 . 1 1 43 43 ALA H H 78 8.565 8.565 7.805 0.760 17578 4779 1 9 . 1 1 44 44 GLY N N 79 103.957 103.957 107.883 -3.926 17578 4780 1 9 . 1 1 44 44 GLY C C 79 173.252 173.252 173.721 -0.469 17578 4781 1 9 . 1 1 44 44 GLY CA C 79 45.764 45.764 45.913 -0.149 17578 4782 1 9 . 1 1 44 44 GLY H H 79 9.083 9.083 8.387 0.696 17578 4783 1 9 . 1 1 45 45 ASP N N 80 118.632 118.632 120.659 -2.027 17578 4784 1 9 . 1 1 45 45 ASP HA H 80 4.918 4.918 4.870 0.048 17578 4785 1 9 . 1 1 45 45 ASP CA C 80 52.689 52.689 53.004 -0.315 17578 4786 1 9 . 1 1 45 45 ASP CB C 80 39.118 39.118 40.703 -1.585 17578 4787 1 9 . 1 1 45 45 ASP H H 80 8.695 8.695 7.983 0.712 17578 4788 1 9 . 1 1 46 46 ILE N N 81 117.935 117.935 119.642 -1.707 17578 4789 1 9 . 1 1 46 46 ILE HA H 81 4.179 4.179 4.561 -0.382 17578 4790 1 9 . 1 1 46 46 ILE C C 81 172.890 172.890 173.890 -1.000 17578 4791 1 9 . 1 1 46 46 ILE CA C 81 59.242 59.242 60.135 -0.893 17578 4792 1 9 . 1 1 46 46 ILE CB C 81 39.253 39.253 41.881 -2.628 17578 4793 1 9 . 1 1 46 46 ILE H H 81 6.730 6.730 7.525 -0.795 17578 4794 1 9 . 1 1 47 47 TRP N N 82 123.585 123.585 127.227 -3.642 17578 4795 1 9 . 1 1 47 47 TRP HA H 82 4.587 4.587 5.204 -0.617 17578 4796 1 9 . 1 1 47 47 TRP CA C 82 55.386 55.386 54.398 0.988 17578 4797 1 9 . 1 1 47 47 TRP CB C 82 32.147 32.147 29.180 2.967 17578 4798 1 9 . 1 1 47 47 TRP H H 82 7.804 7.804 8.447 -0.643 17578 4799 1 9 . 1 1 48 48 PRO HA H 83 4.248 4.248 4.687 -0.439 17578 4800 1 9 . 1 1 48 48 PRO CA C 83 62.712 62.712 62.172 0.540 17578 4801 1 9 . 1 1 48 48 PRO CB C 83 34.011 34.011 32.473 1.538 17578 4802 1 9 . 1 1 49 49 ALA N N 84 121.827 121.827 120.587 1.240 17578 4803 1 9 . 1 1 49 49 ALA HA H 84 3.969 3.969 4.321 -0.352 17578 4804 1 9 . 1 1 49 49 ALA CA C 84 54.183 54.183 52.802 1.381 17578 4805 1 9 . 1 1 49 49 ALA CB C 84 19.404 19.404 18.781 0.623 17578 4806 1 9 . 1 1 49 49 ALA H H 84 8.198 8.198 8.575 -0.377 17578 4807 1 9 . 1 1 50 50 ASP N N 85 114.049 114.049 119.840 -5.791 17578 4808 1 9 . 1 1 50 50 ASP HA H 85 4.301 4.301 4.332 -0.031 17578 4809 1 9 . 1 1 50 50 ASP C C 85 177.428 177.428 177.983 -0.555 17578 4810 1 9 . 1 1 50 50 ASP CA C 85 55.777 55.777 57.512 -1.735 17578 4811 1 9 . 1 1 50 50 ASP CB C 85 40.060 40.060 40.262 -0.202 17578 4812 1 9 . 1 1 50 50 ASP H H 85 8.008 8.008 8.713 -0.705 17578 4813 1 9 . 1 1 51 51 VAL N N 86 116.790 116.790 120.126 -3.336 17578 4814 1 9 . 1 1 51 51 VAL HA H 86 3.841 3.841 3.662 0.179 17578 4815 1 9 . 1 1 51 51 VAL C C 86 176.231 176.231 176.976 -0.745 17578 4816 1 9 . 1 1 51 51 VAL CA C 86 65.332 65.332 65.256 0.076 17578 4817 1 9 . 1 1 51 51 VAL CB C 86 32.123 32.123 31.970 0.153 17578 4818 1 9 . 1 1 51 51 VAL H H 86 7.542 7.542 7.531 0.011 17578 4819 1 9 . 1 1 52 52 ILE N N 87 107.529 107.529 119.911 -12.382 17578 4820 1 9 . 1 1 52 52 ILE HA H 87 4.638 4.638 3.601 1.037 17578 4821 1 9 . 1 1 52 52 ILE C C 87 178.026 178.026 177.463 0.563 17578 4822 1 9 . 1 1 52 52 ILE CA C 87 59.806 59.806 64.789 -4.983 17578 4823 1 9 . 1 1 52 52 ILE CB C 87 40.742 40.742 37.742 3.000 17578 4824 1 9 . 1 1 52 52 ILE H H 87 7.310 7.310 8.455 -1.145 17578 4825 1 9 . 1 1 53 53 SER N N 88 116.004 116.004 114.300 1.704 17578 4826 1 9 . 1 1 53 53 SER HA H 88 4.566 4.566 4.349 0.217 17578 4827 1 9 . 1 1 53 53 SER CA C 88 61.760 61.760 60.903 0.857 17578 4828 1 9 . 1 1 53 53 SER CB C 88 62.391 62.391 63.691 -1.300 17578 4829 1 9 . 1 1 53 53 SER H H 88 7.827 7.827 7.900 -0.073 17578 4830 1 9 . 1 1 54 54 HIS HA H 89 4.572 4.572 4.375 0.197 17578 4831 1 9 . 1 1 54 54 HIS CA C 89 56.789 56.789 59.448 -2.659 17578 4832 1 9 . 1 1 54 54 HIS CB C 89 30.527 30.527 29.886 0.641 17578 4833 1 9 . 1 1 55 55 ILE N N 90 120.579 120.579 121.267 -0.688 17578 4834 1 9 . 1 1 55 55 ILE HA H 90 3.512 3.512 3.738 -0.226 17578 4835 1 9 . 1 1 55 55 ILE CA C 90 65.424 65.424 66.977 -1.552 17578 4836 1 9 . 1 1 55 55 ILE CB C 90 34.176 34.176 35.853 -1.677 17578 4837 1 9 . 1 1 55 55 ILE H H 90 7.764 7.764 8.157 -0.393 17578 4838 1 9 . 1 1 56 56 PRO HA H 91 2.942 2.942 4.370 -1.428 17578 4839 1 9 . 1 1 56 56 PRO C C 91 177.032 177.032 178.769 -1.737 17578 4840 1 9 . 1 1 56 56 PRO CA C 91 66.842 66.842 65.893 0.949 17578 4841 1 9 . 1 1 56 56 PRO CB C 91 31.206 31.206 31.380 -0.174 17578 4842 1 9 . 1 1 57 57 VAL N N 92 114.379 114.379 118.860 -4.481 17578 4843 1 9 . 1 1 57 57 VAL HA H 92 3.574 3.574 3.748 -0.174 17578 4844 1 9 . 1 1 57 57 VAL CA C 92 65.900 65.900 66.006 -0.106 17578 4845 1 9 . 1 1 57 57 VAL CB C 92 31.600 31.600 31.759 -0.160 17578 4846 1 9 . 1 1 57 57 VAL H H 92 6.497 6.497 7.632 -1.135 17578 4847 1 9 . 1 1 58 58 LEU N N 93 120.522 120.522 119.640 0.882 17578 4848 1 9 . 1 1 58 58 LEU HA H 93 4.227 4.227 4.138 0.089 17578 4849 1 9 . 1 1 58 58 LEU C C 93 180.251 180.251 178.219 2.032 17578 4850 1 9 . 1 1 58 58 LEU CA C 93 57.838 57.838 58.046 -0.208 17578 4851 1 9 . 1 1 58 58 LEU CB C 93 43.172 43.172 41.221 1.951 17578 4852 1 9 . 1 1 58 58 LEU H H 93 7.460 7.460 7.619 -0.159 17578 4853 1 9 . 1 1 59 59 CYS N N 94 117.195 117.195 118.332 -1.137 17578 4854 1 9 . 1 1 59 59 CYS HA H 94 3.867 3.867 4.347 -0.480 17578 4855 1 9 . 1 1 59 59 CYS C C 94 176.362 176.362 176.605 -0.243 17578 4856 1 9 . 1 1 59 59 CYS CA C 94 65.379 65.379 62.851 2.528 17578 4857 1 9 . 1 1 59 59 CYS CB C 94 26.344 26.344 27.990 -1.646 17578 4858 1 9 . 1 1 59 59 CYS H H 94 8.335 8.335 8.038 0.297 17578 4859 1 9 . 1 1 60 60 GLU N N 95 120.777 120.777 118.928 1.849 17578 4860 1 9 . 1 1 60 60 GLU HA H 95 4.209 4.209 4.090 0.119 17578 4861 1 9 . 1 1 60 60 GLU CA C 95 59.760 59.760 58.649 1.111 17578 4862 1 9 . 1 1 60 60 GLU CB C 95 29.201 29.201 29.699 -0.498 17578 4863 1 9 . 1 1 60 60 GLU H H 95 8.235 8.235 8.208 0.027 17578 4864 1 9 . 1 1 61 61 ASP N N 96 120.910 120.910 118.102 2.808 17578 4865 1 9 . 1 1 61 61 ASP HA H 96 4.292 4.292 4.539 -0.247 17578 4866 1 9 . 1 1 61 61 ASP C C 96 177.890 177.890 177.529 0.361 17578 4867 1 9 . 1 1 61 61 ASP CA C 96 57.235 57.235 55.792 1.443 17578 4868 1 9 . 1 1 61 61 ASP CB C 96 40.580 40.580 41.378 -0.798 17578 4869 1 9 . 1 1 61 61 ASP H H 96 8.509 8.509 7.782 0.727 17578 4870 1 9 . 1 1 62 62 HIS N N 97 115.923 115.923 117.787 -1.864 17578 4871 1 9 . 1 1 62 62 HIS HA H 97 4.495 4.495 4.860 -0.365 17578 4872 1 9 . 1 1 62 62 HIS C C 97 173.548 173.548 174.473 -0.925 17578 4873 1 9 . 1 1 62 62 HIS CA C 97 57.290 57.290 55.605 1.685 17578 4874 1 9 . 1 1 62 62 HIS CB C 97 29.997 29.997 32.046 -2.049 17578 4875 1 9 . 1 1 62 62 HIS H H 97 7.635 7.635 7.889 -0.254 17578 4876 1 9 . 1 1 63 63 SER N N 98 114.634 114.634 113.981 0.653 17578 4877 1 9 . 1 1 63 63 SER HA H 98 4.489 4.489 4.133 0.356 17578 4878 1 9 . 1 1 63 63 SER C C 98 173.949 173.949 171.795 2.154 17578 4879 1 9 . 1 1 63 63 SER CA C 98 58.842 58.842 59.074 -0.232 17578 4880 1 9 . 1 1 63 63 SER CB C 98 61.396 61.396 62.482 -1.086 17578 4881 1 9 . 1 1 63 63 SER H H 98 7.888 7.888 8.008 -0.120 17578 4882 1 9 . 1 1 64 64 VAL N N 99 123.090 123.090 122.469 0.621 17578 4883 1 9 . 1 1 64 64 VAL HA H 99 4.721 4.721 4.425 0.296 17578 4884 1 9 . 1 1 64 64 VAL CA C 99 58.978 58.978 58.773 0.205 17578 4885 1 9 . 1 1 64 64 VAL CB C 99 35.228 35.228 34.850 0.378 17578 4886 1 9 . 1 1 64 64 VAL H H 99 8.590 8.590 7.947 0.643 17578 4887 1 9 . 1 1 65 65 PRO HA H 100 4.263 4.263 4.092 0.171 17578 4888 1 9 . 1 1 65 65 PRO C C 100 173.191 173.191 175.213 -2.022 17578 4889 1 9 . 1 1 65 65 PRO CA C 100 63.427 63.427 62.550 0.877 17578 4890 1 9 . 1 1 65 65 PRO CB C 100 31.863 31.863 32.089 -0.226 17578 4891 1 9 . 1 1 66 66 TYR N N 101 114.702 114.702 118.332 -3.630 17578 4892 1 9 . 1 1 66 66 TYR HA H 101 5.925 5.925 5.667 0.258 17578 4893 1 9 . 1 1 66 66 TYR CA C 101 53.501 53.501 54.850 -1.349 17578 4894 1 9 . 1 1 66 66 TYR CB C 101 41.793 41.793 41.703 0.090 17578 4895 1 9 . 1 1 66 66 TYR H H 101 6.243 6.243 7.724 -1.481 17578 4896 1 9 . 1 1 67 67 ILE N N 102 111.885 111.885 119.124 -7.239 17578 4897 1 9 . 1 1 67 67 ILE HA H 102 4.502 4.502 4.532 -0.030 17578 4898 1 9 . 1 1 67 67 ILE C C 102 172.358 172.358 174.209 -1.851 17578 4899 1 9 . 1 1 67 67 ILE CA C 102 55.442 55.442 60.416 -4.974 17578 4900 1 9 . 1 1 67 67 ILE CB C 102 43.124 43.124 42.575 0.549 17578 4901 1 9 . 1 1 67 67 ILE H H 102 7.986 7.986 8.317 -0.331 17578 4902 1 9 . 1 1 68 68 PHE N N 103 122.274 122.274 129.002 -6.728 17578 4903 1 9 . 1 1 68 68 PHE HA H 103 5.087 5.087 5.316 -0.229 17578 4904 1 9 . 1 1 68 68 PHE C C 103 176.173 176.173 174.841 1.332 17578 4905 1 9 . 1 1 68 68 PHE CA C 103 56.103 56.103 56.497 -0.394 17578 4906 1 9 . 1 1 68 68 PHE CB C 103 39.891 39.891 39.971 -0.080 17578 4907 1 9 . 1 1 68 68 PHE H H 103 8.108 8.108 8.600 -0.492 17578 4908 1 9 . 1 1 69 69 ILE N N 104 114.613 114.613 123.233 -8.620 17578 4909 1 9 . 1 1 69 69 ILE HA H 104 4.927 4.927 4.475 0.452 17578 4910 1 9 . 1 1 69 69 ILE CA C 104 57.831 57.831 57.677 0.154 17578 4911 1 9 . 1 1 69 69 ILE CB C 104 38.302 38.302 41.510 -3.208 17578 4912 1 9 . 1 1 69 69 ILE H H 104 8.843 8.843 8.452 0.391 17578 4913 1 9 . 1 1 70 70 PRO HA H 105 4.093 4.093 4.449 -0.356 17578 4914 1 9 . 1 1 70 70 PRO CA C 105 66.439 66.439 62.876 3.563 17578 4915 1 9 . 1 1 70 70 PRO CB C 105 32.879 32.879 29.379 3.500 17578 4916 1 9 . 1 1 71 71 SER N N 106 106.896 106.896 114.906 -8.010 17578 4917 1 9 . 1 1 71 71 SER HA H 106 5.227 5.227 4.618 0.609 17578 4918 1 9 . 1 1 71 71 SER CA C 106 55.373 55.373 57.108 -1.735 17578 4919 1 9 . 1 1 71 71 SER CB C 106 64.696 64.696 63.859 0.837 17578 4920 1 9 . 1 1 71 71 SER H H 106 7.548 7.548 8.406 -0.858 17578 4921 1 9 . 1 1 72 72 LYS N N 107 119.881 119.881 120.493 -0.612 17578 4922 1 9 . 1 1 72 72 LYS HA H 107 4.191 4.191 3.869 0.322 17578 4923 1 9 . 1 1 72 72 LYS CA C 107 58.623 58.623 59.564 -0.941 17578 4924 1 9 . 1 1 72 72 LYS CB C 107 30.957 30.957 31.584 -0.627 17578 4925 1 9 . 1 1 72 72 LYS H H 107 8.328 8.328 8.297 0.031 17578 4926 1 9 . 1 1 73 73 GLN N N 108 123.720 123.720 118.480 5.240 17578 4927 1 9 . 1 1 73 73 GLN HA H 108 4.013 4.013 4.017 -0.004 17578 4928 1 9 . 1 1 73 73 GLN CA C 108 58.621 58.621 58.983 -0.362 17578 4929 1 9 . 1 1 73 73 GLN CB C 108 28.331 28.331 28.284 0.047 17578 4930 1 9 . 1 1 73 73 GLN H H 108 8.543 8.543 8.556 -0.013 17578 4931 1 9 . 1 1 74 74 ASP N N 109 121.068 121.068 120.485 0.583 17578 4932 1 9 . 1 1 74 74 ASP HA H 109 4.353 4.353 4.337 0.016 17578 4933 1 9 . 1 1 74 74 ASP CA C 109 56.941 56.941 56.734 0.207 17578 4934 1 9 . 1 1 74 74 ASP CB C 109 40.403 40.403 39.861 0.542 17578 4935 1 9 . 1 1 74 74 ASP H H 109 7.998 7.998 8.374 -0.376 17578 4936 1 9 . 1 1 75 75 LEU N N 110 120.670 120.670 120.911 -0.241 17578 4937 1 9 . 1 1 75 75 LEU HA H 110 3.967 3.967 3.939 0.028 17578 4938 1 9 . 1 1 75 75 LEU C C 110 178.753 178.753 179.384 -0.631 17578 4939 1 9 . 1 1 75 75 LEU CA C 110 57.080 57.080 58.207 -1.127 17578 4940 1 9 . 1 1 75 75 LEU CB C 110 41.235 41.235 41.588 -0.353 17578 4941 1 9 . 1 1 75 75 LEU H H 110 7.999 7.999 8.580 -0.581 17578 4942 1 9 . 1 1 76 76 GLY N N 111 105.512 105.512 105.969 -0.457 17578 4943 1 9 . 1 1 76 76 GLY C C 111 175.517 175.517 175.664 -0.147 17578 4944 1 9 . 1 1 76 76 GLY CA C 111 46.745 46.745 47.131 -0.386 17578 4945 1 9 . 1 1 76 76 GLY H H 111 8.012 8.012 8.154 -0.142 17578 4946 1 9 . 1 1 77 77 ALA N N 112 122.891 122.891 124.379 -1.488 17578 4947 1 9 . 1 1 77 77 ALA HA H 112 4.180 4.180 4.198 -0.018 17578 4948 1 9 . 1 1 77 77 ALA CA C 112 53.652 53.652 54.497 -0.845 17578 4949 1 9 . 1 1 77 77 ALA CB C 112 18.482 18.482 18.387 0.095 17578 4950 1 9 . 1 1 77 77 ALA H H 112 7.785 7.785 7.891 -0.106 17578 4951 1 9 . 1 1 78 78 ALA N N 113 121.205 121.205 120.223 0.982 17578 4952 1 9 . 1 1 78 78 ALA HA H 113 4.213 4.213 4.067 0.146 17578 4953 1 9 . 1 1 78 78 ALA CA C 113 53.503 53.503 54.397 -0.894 17578 4954 1 9 . 1 1 78 78 ALA CB C 113 18.897 18.897 18.968 -0.071 17578 4955 1 9 . 1 1 78 78 ALA H H 113 7.787 7.787 8.266 -0.479 17578 4956 1 9 . 1 1 79 79 GLY N N 114 104.082 104.082 104.988 -0.906 17578 4957 1 9 . 1 1 79 79 GLY CA C 114 44.764 44.764 44.867 -0.103 17578 4958 1 9 . 1 1 79 79 GLY H H 114 7.756 7.756 8.010 -0.254 17578 4959 1 9 . 1 1 80 80 ALA HA H 115 4.061 4.061 4.541 -0.480 17578 4960 1 9 . 1 1 80 80 ALA CA C 115 53.192 53.192 51.780 1.412 17578 4961 1 9 . 1 1 80 80 ALA CB C 115 19.493 19.493 20.364 -0.871 17578 4962 1 9 . 1 1 81 81 THR N N 116 116.258 116.258 115.800 0.458 17578 4963 1 9 . 1 1 81 81 THR CA C 116 57.223 57.223 63.358 -6.135 17578 4964 1 9 . 1 1 81 81 THR CB C 116 64.784 64.784 68.838 -4.054 17578 4965 1 9 . 1 1 81 81 THR H H 116 8.121 8.121 8.445 -0.324 17578 4966 1 9 . 1 1 83 83 ARG N N 118 122.269 122.269 120.102 2.167 17578 4967 1 9 . 1 1 83 83 ARG H H 118 8.128 8.128 7.918 0.210 17578 4968 1 9 . 1 1 85 85 THR N N 120 120.171 120.171 117.370 2.801 17578 4969 1 9 . 1 1 85 85 THR C C 120 172.729 172.729 174.766 -2.037 17578 4970 1 9 . 1 1 85 85 THR H H 120 8.127 8.127 8.207 -0.080 17578 4971 1 9 . 1 1 86 86 SER N N 121 115.808 115.808 117.736 -1.928 17578 4972 1 9 . 1 1 86 86 SER HA H 121 4.280 4.280 4.509 -0.229 17578 4973 1 9 . 1 1 86 86 SER CA C 121 59.573 59.573 59.343 0.230 17578 4974 1 9 . 1 1 86 86 SER CB C 121 64.384 64.384 63.803 0.581 17578 4975 1 9 . 1 1 86 86 SER H H 121 7.045 7.045 8.760 -1.715 17578 4976 1 9 . 1 1 87 87 VAL N N 122 115.790 115.790 118.539 -2.749 17578 4977 1 9 . 1 1 87 87 VAL HA H 122 5.203 5.203 4.823 0.380 17578 4978 1 9 . 1 1 87 87 VAL CA C 122 59.412 59.412 58.757 0.655 17578 4979 1 9 . 1 1 87 87 VAL CB C 122 32.729 32.729 31.648 1.081 17578 4980 1 9 . 1 1 87 87 VAL H H 122 7.082 7.082 7.474 -0.392 17578 4981 1 9 . 1 1 88 88 VAL N N 123 119.313 119.313 123.201 -3.888 17578 4982 1 9 . 1 1 88 88 VAL HA H 123 5.097 5.097 5.046 0.051 17578 4983 1 9 . 1 1 88 88 VAL C C 123 172.990 172.990 173.852 -0.862 17578 4984 1 9 . 1 1 88 88 VAL CA C 123 58.925 58.925 60.228 -1.303 17578 4985 1 9 . 1 1 88 88 VAL CB C 123 35.929 35.929 35.123 0.806 17578 4986 1 9 . 1 1 88 88 VAL H H 123 8.948 8.948 8.434 0.514 17578 4987 1 9 . 1 1 89 89 PHE N N 124 122.616 122.616 124.720 -2.104 17578 4988 1 9 . 1 1 89 89 PHE HA H 124 5.641 5.641 5.584 0.057 17578 4989 1 9 . 1 1 89 89 PHE C C 124 174.686 174.686 173.665 1.021 17578 4990 1 9 . 1 1 89 89 PHE CA C 124 52.579 52.579 54.304 -1.725 17578 4991 1 9 . 1 1 89 89 PHE CB C 124 42.392 42.392 42.395 -0.003 17578 4992 1 9 . 1 1 89 89 PHE H H 124 9.065 9.065 9.036 0.029 17578 4993 1 9 . 1 1 90 90 ILE N N 125 127.599 127.599 122.996 4.603 17578 4994 1 9 . 1 1 90 90 ILE HA H 125 4.268 4.268 4.032 0.236 17578 4995 1 9 . 1 1 90 90 ILE C C 125 173.652 173.652 175.185 -1.533 17578 4996 1 9 . 1 1 90 90 ILE CA C 125 61.605 61.605 60.651 0.954 17578 4997 1 9 . 1 1 90 90 ILE CB C 125 39.533 39.533 38.395 1.138 17578 4998 1 9 . 1 1 90 90 ILE H H 125 9.498 9.498 9.198 0.300 17578 4999 1 9 . 1 1 91 91 VAL N N 126 126.693 126.693 125.300 1.393 17578 5000 1 9 . 1 1 91 91 VAL HA H 126 4.595 4.595 4.685 -0.090 17578 5001 1 9 . 1 1 91 91 VAL CA C 126 58.380 58.380 58.855 -0.475 17578 5002 1 9 . 1 1 91 91 VAL CB C 126 32.597 32.597 32.567 0.030 17578 5003 1 9 . 1 1 91 91 VAL H H 126 8.169 8.169 8.558 -0.389 17578 5004 1 9 . 1 1 92 92 PRO HA H 127 4.044 4.044 4.406 -0.362 17578 5005 1 9 . 1 1 92 92 PRO CA C 127 63.380 63.380 63.124 0.256 17578 5006 1 9 . 1 1 92 92 PRO CB C 127 31.735 31.735 30.582 1.153 17578 5007 1 9 . 1 1 93 93 GLY N N 128 108.589 108.589 114.113 -5.524 17578 5008 1 9 . 1 1 93 93 GLY CA C 128 45.443 45.443 45.911 -0.468 17578 5009 1 9 . 1 1 93 93 GLY H H 128 8.022 8.022 8.488 -0.466 17578 5010 1 9 . 1 1 94 94 SER N N 129 113.115 113.115 117.501 -4.386 17578 5011 1 9 . 1 1 94 94 SER H H 129 7.992 7.992 8.099 -0.107 17578 5012 1 9 . 1 1 95 95 ASN N N 130 120.738 120.738 120.168 0.570 17578 5013 1 9 . 1 1 95 95 ASN C C 130 178.419 178.419 176.040 2.379 17578 5014 1 9 . 1 1 95 95 ASN CA C 130 57.337 57.337 55.954 1.383 17578 5015 1 9 . 1 1 95 95 ASN CB C 130 41.958 41.958 38.557 3.401 17578 5016 1 9 . 1 1 95 95 ASN H H 130 8.313 8.313 8.958 -0.645 17578 5017 1 9 . 1 1 96 96 LYS N N 131 119.159 119.159 117.124 2.035 17578 5018 1 9 . 1 1 96 96 LYS HA H 131 4.021 4.021 4.230 -0.209 17578 5019 1 9 . 1 1 96 96 LYS CA C 131 58.749 58.749 57.594 1.155 17578 5020 1 9 . 1 1 96 96 LYS CB C 131 29.565 29.565 32.403 -2.838 17578 5021 1 9 . 1 1 96 96 LYS H H 131 7.881 7.881 8.206 -0.325 17578 5022 1 9 . 1 1 97 97 LYS N N 132 117.399 117.399 119.306 -1.907 17578 5023 1 9 . 1 1 97 97 LYS CA C 132 58.413 58.413 58.332 0.081 17578 5024 1 9 . 1 1 97 97 LYS CB C 132 30.694 30.694 31.681 -0.987 17578 5025 1 9 . 1 1 97 97 LYS H H 132 7.765 7.765 7.772 -0.007 17578 5026 1 9 . 1 1 98 98 LYS N N 133 119.160 119.160 117.030 2.130 17578 5027 1 9 . 1 1 98 98 LYS CA C 133 58.266 58.266 58.518 -0.252 17578 5028 1 9 . 1 1 98 98 LYS CB C 133 30.981 30.981 31.903 -0.922 17578 5029 1 9 . 1 1 98 98 LYS H H 133 8.070 8.070 7.702 0.368 17578 5030 1 9 . 1 1 99 99 ASP N N 134 120.602 120.602 115.673 4.929 17578 5031 1 9 . 1 1 99 99 ASP CA C 134 55.586 55.586 53.100 2.486 17578 5032 1 9 . 1 1 99 99 ASP CB C 134 41.898 41.898 41.863 0.035 17578 5033 1 9 . 1 1 99 99 ASP H H 134 8.255 8.255 7.750 0.505 17578 5034 1 9 . 1 1 100 100 GLY N N 135 108.785 108.785 109.784 -0.999 17578 5035 1 9 . 1 1 100 100 GLY CA C 135 45.536 45.536 45.353 0.183 17578 5036 1 9 . 1 1 100 100 GLY H H 135 8.451 8.451 8.135 0.316 17578 5037 1 9 . 1 1 101 101 LYS N N 136 120.171 120.171 119.879 0.292 17578 5038 1 9 . 1 1 101 101 LYS H H 136 8.127 8.127 7.948 0.179 17578 5039 1 9 . 1 1 102 102 ASN N N 137 118.588 118.588 118.372 0.216 17578 5040 1 9 . 1 1 102 102 ASN H H 137 8.481 8.481 8.319 0.162 17578 5041 1 9 . 1 1 103 103 LYS N N 138 121.739 121.739 114.091 7.648 17578 5042 1 9 . 1 1 103 103 LYS HA H 138 4.241 4.241 3.873 0.368 17578 5043 1 9 . 1 1 103 103 LYS CA C 138 56.760 56.760 57.448 -0.688 17578 5044 1 9 . 1 1 103 103 LYS CB C 138 32.691 32.691 30.779 1.912 17578 5045 1 9 . 1 1 103 103 LYS H H 138 8.318 8.318 8.415 -0.097 17578 5046 1 9 . 1 1 104 104 GLU N N 139 120.980 120.980 118.892 2.088 17578 5047 1 9 . 1 1 104 104 GLU CA C 139 57.235 57.235 59.385 -2.150 17578 5048 1 9 . 1 1 104 104 GLU CB C 139 29.893 29.893 29.372 0.521 17578 5049 1 9 . 1 1 104 104 GLU H H 139 8.478 8.478 8.866 -0.388 17578 5050 1 9 . 1 1 107 107 TYR N N 142 119.214 119.214 122.324 -3.110 17578 5051 1 9 . 1 1 107 107 TYR HA H 142 5.023 5.023 3.808 1.215 17578 5052 1 9 . 1 1 107 107 TYR C C 142 175.419 175.419 177.079 -1.660 17578 5053 1 9 . 1 1 107 107 TYR CA C 142 57.200 57.200 61.626 -4.426 17578 5054 1 9 . 1 1 107 107 TYR CB C 142 39.165 39.165 38.149 1.016 17578 5055 1 9 . 1 1 107 107 TYR H H 142 7.992 7.992 8.502 -0.510 17578 5056 1 9 . 1 1 108 108 LYS N N 143 123.500 123.500 118.834 4.666 17578 5057 1 9 . 1 1 108 108 LYS HA H 143 3.628 3.628 3.635 -0.007 17578 5058 1 9 . 1 1 108 108 LYS CA C 143 59.619 59.619 59.017 0.602 17578 5059 1 9 . 1 1 108 108 LYS CB C 143 31.869 31.869 32.321 -0.452 17578 5060 1 9 . 1 1 108 108 LYS H H 143 7.377 7.377 7.991 -0.614 17578 5061 1 9 . 1 1 109 109 GLU N N 144 118.669 118.669 120.353 -1.684 17578 5062 1 9 . 1 1 109 109 GLU HA H 144 4.735 4.735 4.056 0.679 17578 5063 1 9 . 1 1 109 109 GLU CA C 144 59.865 59.865 59.214 0.651 17578 5064 1 9 . 1 1 109 109 GLU CB C 144 29.004 29.004 29.102 -0.098 17578 5065 1 9 . 1 1 109 109 GLU H H 144 8.583 8.583 8.252 0.331 17578 5066 1 9 . 1 1 110 110 SER N N 145 116.081 116.081 115.802 0.279 17578 5067 1 9 . 1 1 110 110 SER HA H 145 4.448 4.448 4.304 0.144 17578 5068 1 9 . 1 1 110 110 SER CB C 145 64.178 64.178 63.370 0.808 17578 5069 1 9 . 1 1 110 110 SER H H 145 8.117 8.117 8.001 0.116 17578 5070 1 9 . 1 1 111 111 PHE N N 146 122.134 122.134 122.766 -0.632 17578 5071 1 9 . 1 1 111 111 PHE HA H 146 4.022 4.022 4.051 -0.029 17578 5072 1 9 . 1 1 111 111 PHE C C 146 175.751 175.751 177.554 -1.803 17578 5073 1 9 . 1 1 111 111 PHE CA C 146 62.159 62.159 60.628 1.531 17578 5074 1 9 . 1 1 111 111 PHE CB C 146 39.533 39.533 37.950 1.583 17578 5075 1 9 . 1 1 111 111 PHE H H 146 8.553 8.553 8.285 0.268 17578 5076 1 9 . 1 1 112 112 ASN N N 147 117.856 117.856 116.949 0.907 17578 5077 1 9 . 1 1 112 112 ASN HA H 147 4.269 4.269 4.352 -0.083 17578 5078 1 9 . 1 1 112 112 ASN CA C 147 55.881 55.881 56.229 -0.348 17578 5079 1 9 . 1 1 112 112 ASN CB C 147 37.663 37.663 37.947 -0.284 17578 5080 1 9 . 1 1 112 112 ASN H H 147 8.809 8.809 8.581 0.228 17578 5081 1 9 . 1 1 113 113 GLU N N 148 119.708 119.708 120.661 -0.953 17578 5082 1 9 . 1 1 113 113 GLU HA H 148 4.021 4.021 4.019 0.002 17578 5083 1 9 . 1 1 113 113 GLU CA C 148 59.385 59.385 59.570 -0.185 17578 5084 1 9 . 1 1 113 113 GLU CB C 148 29.784 29.784 29.651 0.133 17578 5085 1 9 . 1 1 113 113 GLU H H 148 7.778 7.778 7.819 -0.041 17578 5086 1 9 . 1 1 114 114 VAL N N 149 119.680 119.680 120.049 -0.369 17578 5087 1 9 . 1 1 114 114 VAL HA H 149 3.556 3.556 3.754 -0.198 17578 5088 1 9 . 1 1 114 114 VAL CA C 149 66.625 66.625 66.823 -0.198 17578 5089 1 9 . 1 1 114 114 VAL CB C 149 31.368 31.368 31.635 -0.267 17578 5090 1 9 . 1 1 114 114 VAL H H 149 8.023 8.023 8.259 -0.236 17578 5091 1 9 . 1 1 115 115 VAL N N 150 119.684 119.684 117.258 2.426 17578 5092 1 9 . 1 1 115 115 VAL HA H 150 3.163 3.163 3.686 -0.523 17578 5093 1 9 . 1 1 115 115 VAL C C 150 177.270 177.270 178.054 -0.784 17578 5094 1 9 . 1 1 115 115 VAL CA C 150 67.984 67.984 65.590 2.394 17578 5095 1 9 . 1 1 115 115 VAL CB C 150 30.848 30.848 30.504 0.344 17578 5096 1 9 . 1 1 115 115 VAL H H 150 8.480 8.480 8.509 -0.029 17578 5097 1 9 . 1 1 116 116 LYS N N 151 118.648 118.648 120.313 -1.665 17578 5098 1 9 . 1 1 116 116 LYS HA H 151 4.027 4.027 4.047 -0.020 17578 5099 1 9 . 1 1 116 116 LYS CA C 151 59.691 59.691 58.926 0.765 17578 5100 1 9 . 1 1 116 116 LYS CB C 151 32.346 32.346 31.797 0.549 17578 5101 1 9 . 1 1 116 116 LYS H H 151 7.584 7.584 7.991 -0.407 17578 5102 1 9 . 1 1 117 117 GLU N N 152 120.177 120.177 120.474 -0.297 17578 5103 1 9 . 1 1 117 117 GLU HA H 152 4.046 4.046 4.016 0.030 17578 5104 1 9 . 1 1 117 117 GLU CA C 152 59.932 59.932 59.611 0.321 17578 5105 1 9 . 1 1 117 117 GLU CB C 152 29.663 29.663 29.779 -0.116 17578 5106 1 9 . 1 1 117 117 GLU H H 152 7.528 7.528 7.928 -0.400 17578 5107 1 9 . 1 1 118 118 VAL N N 153 120.413 120.413 119.464 0.949 17578 5108 1 9 . 1 1 118 118 VAL HA H 153 3.421 3.421 3.851 -0.430 17578 5109 1 9 . 1 1 118 118 VAL CA C 153 67.196 67.196 65.943 1.253 17578 5110 1 9 . 1 1 118 118 VAL CB C 153 31.600 31.600 31.829 -0.229 17578 5111 1 9 . 1 1 118 118 VAL H H 153 8.665 8.665 8.027 0.638 17578 5112 1 9 . 1 1 119 119 GLN N N 154 118.232 118.232 119.961 -1.729 17578 5113 1 9 . 1 1 119 119 GLN HA H 154 3.982 3.982 4.126 -0.144 17578 5114 1 9 . 1 1 119 119 GLN CA C 154 59.651 59.651 58.310 1.341 17578 5115 1 9 . 1 1 119 119 GLN CB C 154 28.478 28.478 29.069 -0.591 17578 5116 1 9 . 1 1 119 119 GLN H H 154 8.950 8.950 7.853 1.097 17578 5117 1 9 . 1 1 120 120 ALA N N 155 120.568 120.568 121.522 -0.954 17578 5118 1 9 . 1 1 120 120 ALA HA H 155 4.223 4.223 4.278 -0.055 17578 5119 1 9 . 1 1 120 120 ALA CA C 155 55.071 55.071 52.724 2.347 17578 5120 1 9 . 1 1 120 120 ALA CB C 155 17.952 17.952 19.627 -1.675 17578 5121 1 9 . 1 1 120 120 ALA H H 155 7.486 7.486 7.918 -0.432 17578 5122 1 10 . 1 1 2 2 LYS N N 37 124.035 124.035 122.673 1.362 17578 5123 1 10 . 1 1 2 2 LYS HA H 37 4.064 4.064 4.165 -0.101 17578 5124 1 10 . 1 1 2 2 LYS H H 37 7.786 7.786 8.382 -0.596 17578 5125 1 10 . 1 1 3 3 LYS HA H 38 4.026 4.026 4.099 -0.073 17578 5126 1 10 . 1 1 3 3 LYS C C 38 179.176 179.176 178.713 0.463 17578 5127 1 10 . 1 1 3 3 LYS CA C 38 59.781 59.781 58.881 0.900 17578 5128 1 10 . 1 1 3 3 LYS CB C 38 32.626 32.626 31.419 1.207 17578 5129 1 10 . 1 1 4 4 LEU N N 39 122.003 122.003 120.035 1.968 17578 5130 1 10 . 1 1 4 4 LEU HA H 39 4.159 4.159 3.920 0.239 17578 5131 1 10 . 1 1 4 4 LEU C C 39 178.232 178.232 179.153 -0.921 17578 5132 1 10 . 1 1 4 4 LEU CA C 39 57.470 57.470 57.933 -0.463 17578 5133 1 10 . 1 1 4 4 LEU CB C 39 40.343 40.343 41.301 -0.958 17578 5134 1 10 . 1 1 4 4 LEU H H 39 7.877 7.877 7.864 0.013 17578 5135 1 10 . 1 1 5 5 ASN N N 40 118.692 118.692 116.901 1.791 17578 5136 1 10 . 1 1 5 5 ASN HA H 40 3.997 3.997 4.342 -0.345 17578 5137 1 10 . 1 1 5 5 ASN C C 40 176.054 176.054 177.485 -1.431 17578 5138 1 10 . 1 1 5 5 ASN CA C 40 57.622 57.622 56.345 1.277 17578 5139 1 10 . 1 1 5 5 ASN CB C 40 40.113 40.113 38.166 1.947 17578 5140 1 10 . 1 1 5 5 ASN H H 40 9.313 9.313 8.377 0.936 17578 5141 1 10 . 1 1 6 6 LYS N N 41 115.497 115.497 119.713 -4.216 17578 5142 1 10 . 1 1 6 6 LYS HA H 41 3.928 3.928 3.942 -0.014 17578 5143 1 10 . 1 1 6 6 LYS C C 41 179.133 179.133 179.002 0.131 17578 5144 1 10 . 1 1 6 6 LYS CA C 41 59.909 59.909 59.343 0.566 17578 5145 1 10 . 1 1 6 6 LYS CB C 41 32.256 32.256 31.961 0.295 17578 5146 1 10 . 1 1 6 6 LYS H H 41 7.230 7.230 7.705 -0.475 17578 5147 1 10 . 1 1 7 7 LYS N N 42 118.961 118.961 119.033 -0.072 17578 5148 1 10 . 1 1 7 7 LYS HA H 42 4.040 4.040 4.032 0.008 17578 5149 1 10 . 1 1 7 7 LYS C C 42 180.272 180.272 179.390 0.882 17578 5150 1 10 . 1 1 7 7 LYS CA C 42 59.988 59.988 59.706 0.281 17578 5151 1 10 . 1 1 7 7 LYS CB C 42 33.462 33.462 32.268 1.194 17578 5152 1 10 . 1 1 7 7 LYS H H 42 7.367 7.367 7.980 -0.613 17578 5153 1 10 . 1 1 8 8 VAL N N 43 122.400 122.400 120.183 2.217 17578 5154 1 10 . 1 1 8 8 VAL HA H 43 3.303 3.303 3.828 -0.525 17578 5155 1 10 . 1 1 8 8 VAL CA C 43 67.430 67.430 67.173 0.257 17578 5156 1 10 . 1 1 8 8 VAL CB C 43 31.374 31.374 31.776 -0.402 17578 5157 1 10 . 1 1 8 8 VAL H H 43 9.215 9.215 8.136 1.079 17578 5158 1 10 . 1 1 9 9 LEU N N 44 119.626 119.626 121.470 -1.844 17578 5159 1 10 . 1 1 9 9 LEU HA H 44 3.833 3.833 4.102 -0.269 17578 5160 1 10 . 1 1 9 9 LEU CA C 44 58.453 58.453 58.040 0.413 17578 5161 1 10 . 1 1 9 9 LEU CB C 44 41.171 41.171 41.413 -0.242 17578 5162 1 10 . 1 1 9 9 LEU H H 44 8.471 8.471 8.338 0.133 17578 5163 1 10 . 1 1 10 10 LYS N N 45 119.761 119.761 118.061 1.700 17578 5164 1 10 . 1 1 10 10 LYS HA H 45 4.026 4.026 4.036 -0.010 17578 5165 1 10 . 1 1 10 10 LYS CA C 45 59.919 59.919 59.131 0.788 17578 5166 1 10 . 1 1 10 10 LYS CB C 45 32.430 32.430 31.529 0.901 17578 5167 1 10 . 1 1 10 10 LYS H H 45 7.883 7.883 8.269 -0.386 17578 5168 1 10 . 1 1 11 11 THR N N 46 116.469 116.469 118.060 -1.591 17578 5169 1 10 . 1 1 11 11 THR HA H 46 4.339 4.339 3.892 0.447 17578 5170 1 10 . 1 1 11 11 THR C C 46 175.987 175.987 176.471 -0.484 17578 5171 1 10 . 1 1 11 11 THR CB C 46 68.013 68.013 68.566 -0.553 17578 5172 1 10 . 1 1 11 11 THR H H 46 7.805 7.805 8.040 -0.235 17578 5173 1 10 . 1 1 12 12 VAL N N 47 121.907 121.907 121.604 0.303 17578 5174 1 10 . 1 1 12 12 VAL HA H 47 3.232 3.232 3.957 -0.725 17578 5175 1 10 . 1 1 12 12 VAL CA C 47 67.331 67.331 66.219 1.113 17578 5176 1 10 . 1 1 12 12 VAL CB C 47 31.438 31.438 32.005 -0.567 17578 5177 1 10 . 1 1 12 12 VAL H H 47 8.782 8.782 8.766 0.016 17578 5178 1 10 . 1 1 13 13 LYS N N 48 122.393 122.393 119.261 3.132 17578 5179 1 10 . 1 1 13 13 LYS HA H 48 4.258 4.258 3.952 0.306 17578 5180 1 10 . 1 1 13 13 LYS C C 48 179.808 179.808 179.100 0.708 17578 5181 1 10 . 1 1 13 13 LYS CA C 48 59.999 59.999 60.102 -0.103 17578 5182 1 10 . 1 1 13 13 LYS CB C 48 32.553 32.553 32.208 0.345 17578 5183 1 10 . 1 1 13 13 LYS H H 48 8.171 8.171 8.019 0.152 17578 5184 1 10 . 1 1 14 14 LYS N N 49 118.852 118.852 118.886 -0.034 17578 5185 1 10 . 1 1 14 14 LYS HA H 49 3.973 3.973 4.089 -0.116 17578 5186 1 10 . 1 1 14 14 LYS CA C 49 59.811 59.811 58.771 1.040 17578 5187 1 10 . 1 1 14 14 LYS CB C 49 33.389 33.389 32.372 1.017 17578 5188 1 10 . 1 1 14 14 LYS H H 49 7.941 7.941 7.808 0.133 17578 5189 1 10 . 1 1 15 15 ALA N N 50 122.047 122.047 121.495 0.552 17578 5190 1 10 . 1 1 15 15 ALA HA H 50 3.496 3.496 3.972 -0.476 17578 5191 1 10 . 1 1 15 15 ALA CA C 50 54.709 54.709 54.778 -0.069 17578 5192 1 10 . 1 1 15 15 ALA CB C 50 18.917 18.917 18.028 0.889 17578 5193 1 10 . 1 1 15 15 ALA H H 50 8.544 8.544 8.117 0.427 17578 5194 1 10 . 1 1 16 16 SER N N 51 116.561 116.561 114.847 1.714 17578 5195 1 10 . 1 1 16 16 SER HA H 51 4.730 4.730 4.114 0.616 17578 5196 1 10 . 1 1 16 16 SER C C 51 178.560 178.560 176.762 1.798 17578 5197 1 10 . 1 1 16 16 SER CA C 51 61.680 61.680 61.444 0.236 17578 5198 1 10 . 1 1 16 16 SER CB C 51 62.551 62.551 62.920 -0.369 17578 5199 1 10 . 1 1 16 16 SER H H 51 8.551 8.551 8.256 0.295 17578 5200 1 10 . 1 1 17 17 LYS N N 52 124.890 124.890 121.264 3.626 17578 5201 1 10 . 1 1 17 17 LYS HA H 52 4.072 4.072 4.062 0.010 17578 5202 1 10 . 1 1 17 17 LYS C C 52 177.377 177.377 176.996 0.381 17578 5203 1 10 . 1 1 17 17 LYS CA C 52 58.931 58.931 58.497 0.434 17578 5204 1 10 . 1 1 17 17 LYS CB C 52 31.961 31.961 32.435 -0.474 17578 5205 1 10 . 1 1 17 17 LYS H H 52 7.578 7.578 7.592 -0.014 17578 5206 1 10 . 1 1 18 18 ALA N N 53 118.628 118.628 118.038 0.590 17578 5207 1 10 . 1 1 18 18 ALA HA H 53 4.285 4.285 4.287 -0.003 17578 5208 1 10 . 1 1 18 18 ALA C C 53 175.061 175.061 177.031 -1.970 17578 5209 1 10 . 1 1 18 18 ALA CA C 53 51.822 51.822 52.036 -0.214 17578 5210 1 10 . 1 1 18 18 ALA CB C 53 19.390 19.390 18.862 0.528 17578 5211 1 10 . 1 1 18 18 ALA H H 53 7.112 7.112 7.424 -0.312 17578 5212 1 10 . 1 1 19 19 LYS N N 54 111.984 111.984 116.993 -5.009 17578 5213 1 10 . 1 1 19 19 LYS HA H 54 4.026 4.026 4.025 0.001 17578 5214 1 10 . 1 1 19 19 LYS CA C 54 57.222 57.222 57.299 -0.077 17578 5215 1 10 . 1 1 19 19 LYS CB C 54 28.387 28.387 30.080 -1.693 17578 5216 1 10 . 1 1 19 19 LYS H H 54 7.653 7.653 7.825 -0.172 17578 5217 1 10 . 1 1 20 20 ASN N N 55 116.088 116.088 114.046 2.042 17578 5218 1 10 . 1 1 20 20 ASN HA H 55 5.102 5.102 4.752 0.350 17578 5219 1 10 . 1 1 20 20 ASN C C 55 172.975 172.975 173.561 -0.586 17578 5220 1 10 . 1 1 20 20 ASN CA C 55 51.215 51.215 52.132 -0.917 17578 5221 1 10 . 1 1 20 20 ASN CB C 55 40.316 40.316 39.459 0.857 17578 5222 1 10 . 1 1 20 20 ASN H H 55 8.118 8.118 7.955 0.163 17578 5223 1 10 . 1 1 21 21 VAL N N 56 114.959 114.959 118.381 -3.422 17578 5224 1 10 . 1 1 21 21 VAL HA H 56 4.938 4.938 4.095 0.843 17578 5225 1 10 . 1 1 21 21 VAL C C 56 175.409 175.409 173.958 1.451 17578 5226 1 10 . 1 1 21 21 VAL CA C 56 60.901 60.901 60.084 0.817 17578 5227 1 10 . 1 1 21 21 VAL CB C 56 35.368 35.368 34.091 1.277 17578 5228 1 10 . 1 1 21 21 VAL H H 56 7.628 7.628 7.530 0.097 17578 5229 1 10 . 1 1 22 22 LYS N N 57 126.485 126.485 125.583 0.902 17578 5230 1 10 . 1 1 22 22 LYS HA H 57 4.712 4.712 4.684 0.028 17578 5231 1 10 . 1 1 22 22 LYS C C 57 175.394 175.394 174.452 0.942 17578 5232 1 10 . 1 1 22 22 LYS CA C 57 54.485 54.485 53.841 0.644 17578 5233 1 10 . 1 1 22 22 LYS CB C 57 33.669 33.669 36.090 -2.421 17578 5234 1 10 . 1 1 22 22 LYS H H 57 8.987 8.987 8.470 0.517 17578 5235 1 10 . 1 1 23 23 ARG N N 58 122.011 122.011 120.725 1.286 17578 5236 1 10 . 1 1 23 23 ARG HA H 58 4.837 4.837 4.951 -0.114 17578 5237 1 10 . 1 1 23 23 ARG C C 58 175.930 175.930 175.632 0.298 17578 5238 1 10 . 1 1 23 23 ARG CA C 58 55.872 55.872 55.303 0.569 17578 5239 1 10 . 1 1 23 23 ARG CB C 58 33.513 33.513 31.957 1.556 17578 5240 1 10 . 1 1 23 23 ARG H H 58 9.024 9.024 8.589 0.435 17578 5241 1 10 . 1 1 24 24 GLY N N 59 111.007 111.007 112.342 -1.335 17578 5242 1 10 . 1 1 24 24 GLY CA C 59 44.790 44.790 45.358 -0.568 17578 5243 1 10 . 1 1 24 24 GLY H H 59 8.315 8.315 8.903 -0.588 17578 5244 1 10 . 1 1 25 25 VAL N N 60 119.423 119.423 121.237 -1.814 17578 5245 1 10 . 1 1 25 25 VAL HA H 60 3.156 3.156 3.460 -0.304 17578 5246 1 10 . 1 1 25 25 VAL C C 60 176.562 176.562 176.807 -0.245 17578 5247 1 10 . 1 1 25 25 VAL CA C 60 68.037 68.037 65.648 2.389 17578 5248 1 10 . 1 1 25 25 VAL CB C 60 32.050 32.050 31.907 0.143 17578 5249 1 10 . 1 1 25 25 VAL H H 60 8.152 8.152 8.751 -0.599 17578 5250 1 10 . 1 1 26 26 LYS N N 61 117.316 117.316 118.365 -1.049 17578 5251 1 10 . 1 1 26 26 LYS HA H 61 3.919 3.919 4.038 -0.119 17578 5252 1 10 . 1 1 26 26 LYS C C 61 180.130 180.130 178.667 1.463 17578 5253 1 10 . 1 1 26 26 LYS CA C 61 60.157 60.157 59.805 0.352 17578 5254 1 10 . 1 1 26 26 LYS CB C 61 32.041 32.041 31.992 0.049 17578 5255 1 10 . 1 1 26 26 LYS H H 61 8.156 8.156 8.585 -0.429 17578 5256 1 10 . 1 1 27 27 GLU N N 62 117.535 117.535 119.284 -1.749 17578 5257 1 10 . 1 1 27 27 GLU HA H 62 3.961 3.961 4.223 -0.262 17578 5258 1 10 . 1 1 27 27 GLU CA C 62 58.787 58.787 59.132 -0.345 17578 5259 1 10 . 1 1 27 27 GLU CB C 62 29.843 29.843 29.267 0.576 17578 5260 1 10 . 1 1 27 27 GLU H H 62 8.531 8.531 7.607 0.924 17578 5261 1 10 . 1 1 28 28 VAL N N 63 120.589 120.589 117.863 2.726 17578 5262 1 10 . 1 1 28 28 VAL HA H 63 3.498 3.498 2.879 0.619 17578 5263 1 10 . 1 1 28 28 VAL CA C 63 68.099 68.099 65.362 2.737 17578 5264 1 10 . 1 1 28 28 VAL CB C 63 31.376 31.376 30.470 0.906 17578 5265 1 10 . 1 1 28 28 VAL H H 63 8.255 8.255 8.010 0.245 17578 5266 1 10 . 1 1 29 29 VAL N N 64 118.570 118.570 120.723 -2.153 17578 5267 1 10 . 1 1 29 29 VAL HA H 64 3.359 3.359 3.468 -0.109 17578 5268 1 10 . 1 1 29 29 VAL C C 64 177.549 177.549 177.776 -0.227 17578 5269 1 10 . 1 1 29 29 VAL CA C 64 67.456 67.456 66.981 0.476 17578 5270 1 10 . 1 1 29 29 VAL CB C 64 31.233 31.233 31.126 0.107 17578 5271 1 10 . 1 1 29 29 VAL H H 64 8.535 8.535 8.007 0.528 17578 5272 1 10 . 1 1 30 30 LYS N N 65 117.926 117.926 120.312 -2.386 17578 5273 1 10 . 1 1 30 30 LYS HA H 65 3.875 3.875 3.900 -0.025 17578 5274 1 10 . 1 1 30 30 LYS CA C 65 59.811 59.811 59.869 -0.058 17578 5275 1 10 . 1 1 30 30 LYS CB C 65 32.715 32.715 32.398 0.317 17578 5276 1 10 . 1 1 30 30 LYS H H 65 7.538 7.538 7.882 -0.344 17578 5277 1 10 . 1 1 31 31 ALA N N 66 120.475 120.475 120.949 -0.474 17578 5278 1 10 . 1 1 31 31 ALA HA H 66 4.071 4.071 4.148 -0.077 17578 5279 1 10 . 1 1 31 31 ALA C C 66 179.596 179.596 179.501 0.095 17578 5280 1 10 . 1 1 31 31 ALA CA C 66 55.051 55.051 54.725 0.326 17578 5281 1 10 . 1 1 31 31 ALA CB C 66 18.901 18.901 18.036 0.865 17578 5282 1 10 . 1 1 31 31 ALA H H 66 7.496 7.496 7.856 -0.360 17578 5283 1 10 . 1 1 32 32 LEU N N 67 119.357 119.357 119.680 -0.323 17578 5284 1 10 . 1 1 32 32 LEU HA H 67 3.854 3.854 3.867 -0.013 17578 5285 1 10 . 1 1 32 32 LEU CA C 67 57.859 57.859 57.457 0.402 17578 5286 1 10 . 1 1 32 32 LEU CB C 67 42.442 42.442 42.054 0.388 17578 5287 1 10 . 1 1 32 32 LEU H H 67 8.376 8.376 7.712 0.664 17578 5288 1 10 . 1 1 33 33 ARG N N 68 116.045 116.045 116.458 -0.413 17578 5289 1 10 . 1 1 33 33 ARG HA H 68 3.802 3.802 4.013 -0.211 17578 5290 1 10 . 1 1 33 33 ARG CA C 68 59.306 59.306 57.967 1.339 17578 5291 1 10 . 1 1 33 33 ARG CB C 68 29.759 29.759 30.026 -0.267 17578 5292 1 10 . 1 1 33 33 ARG H H 68 8.091 8.091 7.975 0.116 17578 5293 1 10 . 1 1 34 34 LYS N N 69 117.845 117.845 119.144 -1.299 17578 5294 1 10 . 1 1 34 34 LYS HA H 69 4.255 4.255 4.121 0.134 17578 5295 1 10 . 1 1 34 34 LYS C C 69 176.831 176.831 177.708 -0.877 17578 5296 1 10 . 1 1 34 34 LYS CA C 69 56.548 56.548 57.377 -0.829 17578 5297 1 10 . 1 1 34 34 LYS CB C 69 32.710 32.710 33.136 -0.426 17578 5298 1 10 . 1 1 34 34 LYS H H 69 7.616 7.616 7.947 -0.331 17578 5299 1 10 . 1 1 35 35 GLY N N 70 106.783 106.783 104.683 2.100 17578 5300 1 10 . 1 1 35 35 GLY CA C 70 45.537 45.537 45.080 0.457 17578 5301 1 10 . 1 1 35 35 GLY H H 70 7.739 7.739 8.096 -0.357 17578 5302 1 10 . 1 1 36 36 GLU N N 71 119.424 119.424 117.419 2.005 17578 5303 1 10 . 1 1 36 36 GLU HA H 71 4.226 4.226 4.435 -0.209 17578 5304 1 10 . 1 1 36 36 GLU C C 71 175.400 175.400 176.046 -0.646 17578 5305 1 10 . 1 1 36 36 GLU CA C 71 57.414 57.414 54.878 2.536 17578 5306 1 10 . 1 1 36 36 GLU CB C 71 29.442 29.442 30.180 -0.738 17578 5307 1 10 . 1 1 36 36 GLU H H 71 7.698 7.698 7.981 -0.283 17578 5308 1 10 . 1 1 37 37 LYS N N 72 118.290 118.290 122.090 -3.800 17578 5309 1 10 . 1 1 37 37 LYS HA H 72 4.903 4.903 4.271 0.632 17578 5310 1 10 . 1 1 37 37 LYS C C 72 175.809 175.809 176.533 -0.724 17578 5311 1 10 . 1 1 37 37 LYS CA C 72 53.791 53.791 57.546 -3.755 17578 5312 1 10 . 1 1 37 37 LYS CB C 72 34.781 34.781 32.763 2.018 17578 5313 1 10 . 1 1 37 37 LYS H H 72 8.223 8.223 7.344 0.879 17578 5314 1 10 . 1 1 38 38 GLY N N 73 104.682 104.682 112.419 -7.737 17578 5315 1 10 . 1 1 38 38 GLY C C 73 171.884 171.884 173.880 -1.996 17578 5316 1 10 . 1 1 38 38 GLY CA C 73 46.360 46.360 45.354 1.006 17578 5317 1 10 . 1 1 38 38 GLY H H 73 7.217 7.217 8.389 -1.172 17578 5318 1 10 . 1 1 39 39 LEU N N 74 125.372 125.372 121.789 3.583 17578 5319 1 10 . 1 1 39 39 LEU HA H 74 4.994 4.994 4.722 0.272 17578 5320 1 10 . 1 1 39 39 LEU C C 74 174.380 174.380 175.738 -1.358 17578 5321 1 10 . 1 1 39 39 LEU CA C 74 54.363 54.363 53.287 1.076 17578 5322 1 10 . 1 1 39 39 LEU CB C 74 47.028 47.028 44.515 2.513 17578 5323 1 10 . 1 1 39 39 LEU H H 74 8.945 8.945 8.132 0.813 17578 5324 1 10 . 1 1 40 40 VAL N N 75 130.967 130.967 125.174 5.793 17578 5325 1 10 . 1 1 40 40 VAL HA H 75 4.644 4.644 4.280 0.364 17578 5326 1 10 . 1 1 40 40 VAL C C 75 173.667 173.667 174.757 -1.090 17578 5327 1 10 . 1 1 40 40 VAL CA C 75 62.273 62.273 62.786 -0.513 17578 5328 1 10 . 1 1 40 40 VAL CB C 75 32.591 32.591 32.421 0.170 17578 5329 1 10 . 1 1 40 40 VAL H H 75 8.551 8.551 8.565 -0.014 17578 5330 1 10 . 1 1 41 41 VAL N N 76 127.493 127.493 127.993 -0.500 17578 5331 1 10 . 1 1 41 41 VAL HA H 76 4.660 4.660 4.351 0.309 17578 5332 1 10 . 1 1 41 41 VAL C C 76 173.669 173.669 175.028 -1.359 17578 5333 1 10 . 1 1 41 41 VAL CA C 76 60.899 60.899 61.409 -0.510 17578 5334 1 10 . 1 1 41 41 VAL CB C 76 33.346 33.346 32.619 0.727 17578 5335 1 10 . 1 1 41 41 VAL H H 76 8.804 8.804 9.096 -0.292 17578 5336 1 10 . 1 1 42 42 ILE N N 77 125.646 125.646 127.425 -1.779 17578 5337 1 10 . 1 1 42 42 ILE HA H 77 4.444 4.444 4.509 -0.065 17578 5338 1 10 . 1 1 42 42 ILE C C 77 174.817 174.817 174.626 0.191 17578 5339 1 10 . 1 1 42 42 ILE CA C 77 59.700 59.700 58.263 1.438 17578 5340 1 10 . 1 1 42 42 ILE CB C 77 39.977 39.977 39.410 0.567 17578 5341 1 10 . 1 1 42 42 ILE H H 77 8.613 8.613 8.634 -0.021 17578 5342 1 10 . 1 1 43 43 ALA N N 78 128.691 128.691 129.231 -0.540 17578 5343 1 10 . 1 1 43 43 ALA HA H 78 4.459 4.459 5.179 -0.720 17578 5344 1 10 . 1 1 43 43 ALA C C 78 177.584 177.584 178.374 -0.790 17578 5345 1 10 . 1 1 43 43 ALA CA C 78 52.372 52.372 50.017 2.354 17578 5346 1 10 . 1 1 43 43 ALA CB C 78 19.504 19.504 19.828 -0.324 17578 5347 1 10 . 1 1 43 43 ALA H H 78 8.565 8.565 8.106 0.459 17578 5348 1 10 . 1 1 44 44 GLY N N 79 103.957 103.957 108.865 -4.908 17578 5349 1 10 . 1 1 44 44 GLY C C 79 173.252 173.252 174.004 -0.752 17578 5350 1 10 . 1 1 44 44 GLY CA C 79 45.764 45.764 45.537 0.227 17578 5351 1 10 . 1 1 44 44 GLY H H 79 9.083 9.083 8.019 1.064 17578 5352 1 10 . 1 1 45 45 ASP N N 80 118.632 118.632 120.024 -1.392 17578 5353 1 10 . 1 1 45 45 ASP HA H 80 4.918 4.918 4.662 0.256 17578 5354 1 10 . 1 1 45 45 ASP CA C 80 52.689 52.689 53.665 -0.976 17578 5355 1 10 . 1 1 45 45 ASP CB C 80 39.118 39.118 40.529 -1.411 17578 5356 1 10 . 1 1 45 45 ASP H H 80 8.695 8.695 7.997 0.698 17578 5357 1 10 . 1 1 46 46 ILE N N 81 117.935 117.935 119.929 -1.994 17578 5358 1 10 . 1 1 46 46 ILE HA H 81 4.179 4.179 3.767 0.412 17578 5359 1 10 . 1 1 46 46 ILE C C 81 172.890 172.890 173.501 -0.611 17578 5360 1 10 . 1 1 46 46 ILE CA C 81 59.242 59.242 59.581 -0.339 17578 5361 1 10 . 1 1 46 46 ILE CB C 81 39.253 39.253 41.424 -2.171 17578 5362 1 10 . 1 1 46 46 ILE H H 81 6.730 6.730 7.254 -0.524 17578 5363 1 10 . 1 1 47 47 TRP N N 82 123.585 123.585 124.477 -0.892 17578 5364 1 10 . 1 1 47 47 TRP HA H 82 4.587 4.587 5.176 -0.589 17578 5365 1 10 . 1 1 47 47 TRP CA C 82 55.386 55.386 53.614 1.772 17578 5366 1 10 . 1 1 47 47 TRP CB C 82 32.147 32.147 28.512 3.635 17578 5367 1 10 . 1 1 47 47 TRP H H 82 7.804 7.804 7.796 0.008 17578 5368 1 10 . 1 1 48 48 PRO HA H 83 4.248 4.248 4.624 -0.376 17578 5369 1 10 . 1 1 48 48 PRO CA C 83 62.712 62.712 62.386 0.326 17578 5370 1 10 . 1 1 48 48 PRO CB C 83 34.011 34.011 32.533 1.478 17578 5371 1 10 . 1 1 49 49 ALA N N 84 121.827 121.827 120.417 1.410 17578 5372 1 10 . 1 1 49 49 ALA HA H 84 3.969 3.969 4.358 -0.389 17578 5373 1 10 . 1 1 49 49 ALA CA C 84 54.183 54.183 52.693 1.490 17578 5374 1 10 . 1 1 49 49 ALA CB C 84 19.404 19.404 18.702 0.702 17578 5375 1 10 . 1 1 49 49 ALA H H 84 8.198 8.198 8.500 -0.302 17578 5376 1 10 . 1 1 50 50 ASP N N 85 114.049 114.049 118.883 -4.834 17578 5377 1 10 . 1 1 50 50 ASP HA H 85 4.301 4.301 4.386 -0.085 17578 5378 1 10 . 1 1 50 50 ASP C C 85 177.428 177.428 178.020 -0.592 17578 5379 1 10 . 1 1 50 50 ASP CA C 85 55.777 55.777 56.858 -1.081 17578 5380 1 10 . 1 1 50 50 ASP CB C 85 40.060 40.060 40.007 0.053 17578 5381 1 10 . 1 1 50 50 ASP H H 85 8.008 8.008 8.805 -0.797 17578 5382 1 10 . 1 1 51 51 VAL N N 86 116.790 116.790 115.580 1.210 17578 5383 1 10 . 1 1 51 51 VAL HA H 86 3.841 3.841 3.713 0.128 17578 5384 1 10 . 1 1 51 51 VAL C C 86 176.231 176.231 177.410 -1.179 17578 5385 1 10 . 1 1 51 51 VAL CA C 86 65.332 65.332 64.986 0.346 17578 5386 1 10 . 1 1 51 51 VAL CB C 86 32.123 32.123 31.186 0.937 17578 5387 1 10 . 1 1 51 51 VAL H H 86 7.542 7.542 7.338 0.204 17578 5388 1 10 . 1 1 52 52 ILE N N 87 107.529 107.529 120.270 -12.741 17578 5389 1 10 . 1 1 52 52 ILE HA H 87 4.638 4.638 3.624 1.014 17578 5390 1 10 . 1 1 52 52 ILE C C 87 178.026 178.026 177.877 0.149 17578 5391 1 10 . 1 1 52 52 ILE CA C 87 59.806 59.806 64.590 -4.784 17578 5392 1 10 . 1 1 52 52 ILE CB C 87 40.742 40.742 37.588 3.154 17578 5393 1 10 . 1 1 52 52 ILE H H 87 7.310 7.310 8.675 -1.365 17578 5394 1 10 . 1 1 53 53 SER N N 88 116.004 116.004 113.936 2.068 17578 5395 1 10 . 1 1 53 53 SER HA H 88 4.566 4.566 4.450 0.116 17578 5396 1 10 . 1 1 53 53 SER CA C 88 61.760 61.760 61.028 0.732 17578 5397 1 10 . 1 1 53 53 SER CB C 88 62.391 62.391 63.467 -1.075 17578 5398 1 10 . 1 1 53 53 SER H H 88 7.827 7.827 8.130 -0.303 17578 5399 1 10 . 1 1 54 54 HIS HA H 89 4.572 4.572 4.418 0.154 17578 5400 1 10 . 1 1 54 54 HIS CA C 89 56.789 56.789 59.096 -2.308 17578 5401 1 10 . 1 1 54 54 HIS CB C 89 30.527 30.527 30.161 0.366 17578 5402 1 10 . 1 1 55 55 ILE N N 90 120.579 120.579 121.284 -0.705 17578 5403 1 10 . 1 1 55 55 ILE HA H 90 3.512 3.512 3.850 -0.338 17578 5404 1 10 . 1 1 55 55 ILE CA C 90 65.424 65.424 65.045 0.379 17578 5405 1 10 . 1 1 55 55 ILE CB C 90 34.176 34.176 34.682 -0.506 17578 5406 1 10 . 1 1 55 55 ILE H H 90 7.764 7.764 8.156 -0.392 17578 5407 1 10 . 1 1 56 56 PRO HA H 91 2.942 2.942 4.412 -1.470 17578 5408 1 10 . 1 1 56 56 PRO C C 91 177.032 177.032 179.082 -2.050 17578 5409 1 10 . 1 1 56 56 PRO CA C 91 66.842 66.842 65.735 1.107 17578 5410 1 10 . 1 1 56 56 PRO CB C 91 31.206 31.206 31.530 -0.324 17578 5411 1 10 . 1 1 57 57 VAL N N 92 114.379 114.379 119.459 -5.080 17578 5412 1 10 . 1 1 57 57 VAL HA H 92 3.574 3.574 3.777 -0.203 17578 5413 1 10 . 1 1 57 57 VAL CA C 92 65.900 65.900 66.391 -0.491 17578 5414 1 10 . 1 1 57 57 VAL CB C 92 31.600 31.600 32.011 -0.411 17578 5415 1 10 . 1 1 57 57 VAL H H 92 6.497 6.497 7.646 -1.149 17578 5416 1 10 . 1 1 58 58 LEU N N 93 120.522 120.522 119.323 1.199 17578 5417 1 10 . 1 1 58 58 LEU HA H 93 4.227 4.227 4.080 0.146 17578 5418 1 10 . 1 1 58 58 LEU C C 93 180.251 180.251 178.108 2.143 17578 5419 1 10 . 1 1 58 58 LEU CA C 93 57.838 57.838 58.082 -0.244 17578 5420 1 10 . 1 1 58 58 LEU CB C 93 43.172 43.172 41.175 1.997 17578 5421 1 10 . 1 1 58 58 LEU H H 93 7.460 7.460 7.493 -0.033 17578 5422 1 10 . 1 1 59 59 CYS N N 94 117.195 117.195 118.489 -1.294 17578 5423 1 10 . 1 1 59 59 CYS HA H 94 3.867 3.867 4.334 -0.467 17578 5424 1 10 . 1 1 59 59 CYS C C 94 176.362 176.362 176.678 -0.316 17578 5425 1 10 . 1 1 59 59 CYS CA C 94 65.379 65.379 62.377 3.002 17578 5426 1 10 . 1 1 59 59 CYS CB C 94 26.344 26.344 27.443 -1.099 17578 5427 1 10 . 1 1 59 59 CYS H H 94 8.335 8.335 8.082 0.253 17578 5428 1 10 . 1 1 60 60 GLU N N 95 120.777 120.777 119.554 1.223 17578 5429 1 10 . 1 1 60 60 GLU HA H 95 4.209 4.209 4.095 0.114 17578 5430 1 10 . 1 1 60 60 GLU CA C 95 59.760 59.760 58.793 0.967 17578 5431 1 10 . 1 1 60 60 GLU CB C 95 29.201 29.201 29.701 -0.500 17578 5432 1 10 . 1 1 60 60 GLU H H 95 8.235 8.235 8.324 -0.089 17578 5433 1 10 . 1 1 61 61 ASP N N 96 120.910 120.910 117.920 2.990 17578 5434 1 10 . 1 1 61 61 ASP HA H 96 4.292 4.292 4.534 -0.242 17578 5435 1 10 . 1 1 61 61 ASP C C 96 177.890 177.890 177.590 0.300 17578 5436 1 10 . 1 1 61 61 ASP CA C 96 57.235 57.235 55.817 1.418 17578 5437 1 10 . 1 1 61 61 ASP CB C 96 40.580 40.580 41.419 -0.839 17578 5438 1 10 . 1 1 61 61 ASP H H 96 8.509 8.509 7.772 0.737 17578 5439 1 10 . 1 1 62 62 HIS N N 97 115.923 115.923 118.793 -2.870 17578 5440 1 10 . 1 1 62 62 HIS HA H 97 4.495 4.495 4.665 -0.170 17578 5441 1 10 . 1 1 62 62 HIS C C 97 173.548 173.548 174.991 -1.443 17578 5442 1 10 . 1 1 62 62 HIS CA C 97 57.290 57.290 55.835 1.455 17578 5443 1 10 . 1 1 62 62 HIS CB C 97 29.997 29.997 32.636 -2.639 17578 5444 1 10 . 1 1 62 62 HIS H H 97 7.635 7.635 7.959 -0.324 17578 5445 1 10 . 1 1 63 63 SER N N 98 114.634 114.634 113.395 1.239 17578 5446 1 10 . 1 1 63 63 SER HA H 98 4.489 4.489 4.059 0.430 17578 5447 1 10 . 1 1 63 63 SER C C 98 173.949 173.949 172.316 1.633 17578 5448 1 10 . 1 1 63 63 SER CA C 98 58.842 58.842 58.318 0.524 17578 5449 1 10 . 1 1 63 63 SER CB C 98 61.396 61.396 62.607 -1.211 17578 5450 1 10 . 1 1 63 63 SER H H 98 7.888 7.888 7.874 0.014 17578 5451 1 10 . 1 1 64 64 VAL N N 99 123.090 123.090 122.881 0.209 17578 5452 1 10 . 1 1 64 64 VAL HA H 99 4.721 4.721 4.260 0.461 17578 5453 1 10 . 1 1 64 64 VAL CA C 99 58.978 58.978 58.457 0.521 17578 5454 1 10 . 1 1 64 64 VAL CB C 99 35.228 35.228 34.413 0.815 17578 5455 1 10 . 1 1 64 64 VAL H H 99 8.590 8.590 7.792 0.798 17578 5456 1 10 . 1 1 65 65 PRO HA H 100 4.263 4.263 4.027 0.236 17578 5457 1 10 . 1 1 65 65 PRO C C 100 173.191 173.191 175.282 -2.091 17578 5458 1 10 . 1 1 65 65 PRO CA C 100 63.427 63.427 62.414 1.012 17578 5459 1 10 . 1 1 65 65 PRO CB C 100 31.863 31.863 32.260 -0.397 17578 5460 1 10 . 1 1 66 66 TYR N N 101 114.702 114.702 118.451 -3.749 17578 5461 1 10 . 1 1 66 66 TYR HA H 101 5.925 5.925 5.634 0.291 17578 5462 1 10 . 1 1 66 66 TYR CA C 101 53.501 53.501 55.149 -1.648 17578 5463 1 10 . 1 1 66 66 TYR CB C 101 41.793 41.793 41.934 -0.142 17578 5464 1 10 . 1 1 66 66 TYR H H 101 6.243 6.243 7.645 -1.402 17578 5465 1 10 . 1 1 67 67 ILE N N 102 111.885 111.885 118.167 -6.282 17578 5466 1 10 . 1 1 67 67 ILE HA H 102 4.502 4.502 4.494 0.008 17578 5467 1 10 . 1 1 67 67 ILE C C 102 172.358 172.358 174.217 -1.859 17578 5468 1 10 . 1 1 67 67 ILE CA C 102 55.442 55.442 60.499 -5.057 17578 5469 1 10 . 1 1 67 67 ILE CB C 102 43.124 43.124 42.744 0.380 17578 5470 1 10 . 1 1 67 67 ILE H H 102 7.986 7.986 8.458 -0.472 17578 5471 1 10 . 1 1 68 68 PHE N N 103 122.274 122.274 127.823 -5.549 17578 5472 1 10 . 1 1 68 68 PHE HA H 103 5.087 5.087 5.114 -0.027 17578 5473 1 10 . 1 1 68 68 PHE C C 103 176.173 176.173 174.939 1.234 17578 5474 1 10 . 1 1 68 68 PHE CA C 103 56.103 56.103 56.581 -0.478 17578 5475 1 10 . 1 1 68 68 PHE CB C 103 39.891 39.891 39.815 0.076 17578 5476 1 10 . 1 1 68 68 PHE H H 103 8.108 8.108 8.492 -0.384 17578 5477 1 10 . 1 1 69 69 ILE N N 104 114.613 114.613 122.164 -7.551 17578 5478 1 10 . 1 1 69 69 ILE HA H 104 4.927 4.927 4.618 0.309 17578 5479 1 10 . 1 1 69 69 ILE CA C 104 57.831 57.831 57.500 0.331 17578 5480 1 10 . 1 1 69 69 ILE CB C 104 38.302 38.302 41.044 -2.741 17578 5481 1 10 . 1 1 69 69 ILE H H 104 8.843 8.843 8.506 0.337 17578 5482 1 10 . 1 1 70 70 PRO HA H 105 4.093 4.093 4.766 -0.673 17578 5483 1 10 . 1 1 70 70 PRO CA C 105 66.439 66.439 62.602 3.837 17578 5484 1 10 . 1 1 70 70 PRO CB C 105 32.879 32.879 31.886 0.993 17578 5485 1 10 . 1 1 71 71 SER N N 106 106.896 106.896 121.240 -14.344 17578 5486 1 10 . 1 1 71 71 SER HA H 106 5.227 5.227 4.086 1.141 17578 5487 1 10 . 1 1 71 71 SER CA C 106 55.373 55.373 61.814 -6.441 17578 5488 1 10 . 1 1 71 71 SER CB C 106 64.696 64.696 62.373 2.323 17578 5489 1 10 . 1 1 71 71 SER H H 106 7.548 7.548 8.671 -1.123 17578 5490 1 10 . 1 1 72 72 LYS N N 107 119.881 119.881 122.086 -2.205 17578 5491 1 10 . 1 1 72 72 LYS HA H 107 4.191 4.191 3.771 0.420 17578 5492 1 10 . 1 1 72 72 LYS CA C 107 58.623 58.623 60.151 -1.528 17578 5493 1 10 . 1 1 72 72 LYS CB C 107 30.957 30.957 31.922 -0.965 17578 5494 1 10 . 1 1 72 72 LYS H H 107 8.328 8.328 8.252 0.076 17578 5495 1 10 . 1 1 73 73 GLN N N 108 123.720 123.720 117.335 6.385 17578 5496 1 10 . 1 1 73 73 GLN HA H 108 4.013 4.013 4.154 -0.141 17578 5497 1 10 . 1 1 73 73 GLN CA C 108 58.621 58.621 58.592 0.029 17578 5498 1 10 . 1 1 73 73 GLN CB C 108 28.331 28.331 28.565 -0.234 17578 5499 1 10 . 1 1 73 73 GLN H H 108 8.543 8.543 8.052 0.491 17578 5500 1 10 . 1 1 74 74 ASP N N 109 121.068 121.068 121.277 -0.209 17578 5501 1 10 . 1 1 74 74 ASP HA H 109 4.353 4.353 4.348 0.005 17578 5502 1 10 . 1 1 74 74 ASP CA C 109 56.941 56.941 57.588 -0.647 17578 5503 1 10 . 1 1 74 74 ASP CB C 109 40.403 40.403 40.741 -0.338 17578 5504 1 10 . 1 1 74 74 ASP H H 109 7.998 7.998 8.146 -0.148 17578 5505 1 10 . 1 1 75 75 LEU N N 110 120.670 120.670 120.389 0.281 17578 5506 1 10 . 1 1 75 75 LEU HA H 110 3.967 3.967 4.201 -0.234 17578 5507 1 10 . 1 1 75 75 LEU C C 110 178.753 178.753 179.001 -0.248 17578 5508 1 10 . 1 1 75 75 LEU CA C 110 57.080 57.080 57.116 -0.036 17578 5509 1 10 . 1 1 75 75 LEU CB C 110 41.235 41.235 41.945 -0.710 17578 5510 1 10 . 1 1 75 75 LEU H H 110 7.999 7.999 7.643 0.356 17578 5511 1 10 . 1 1 76 76 GLY N N 111 105.512 105.512 106.280 -0.768 17578 5512 1 10 . 1 1 76 76 GLY C C 111 175.517 175.517 175.160 0.357 17578 5513 1 10 . 1 1 76 76 GLY CA C 111 46.745 46.745 47.299 -0.554 17578 5514 1 10 . 1 1 76 76 GLY H H 111 8.012 8.012 8.392 -0.380 17578 5515 1 10 . 1 1 77 77 ALA N N 112 122.891 122.891 123.497 -0.606 17578 5516 1 10 . 1 1 77 77 ALA HA H 112 4.180 4.180 4.323 -0.143 17578 5517 1 10 . 1 1 77 77 ALA CA C 112 53.652 53.652 53.864 -0.212 17578 5518 1 10 . 1 1 77 77 ALA CB C 112 18.482 18.482 18.730 -0.248 17578 5519 1 10 . 1 1 77 77 ALA H H 112 7.785 7.785 8.015 -0.230 17578 5520 1 10 . 1 1 78 78 ALA N N 113 121.205 121.205 119.652 1.553 17578 5521 1 10 . 1 1 78 78 ALA HA H 113 4.213 4.213 4.075 0.138 17578 5522 1 10 . 1 1 78 78 ALA CA C 113 53.503 53.503 54.146 -0.643 17578 5523 1 10 . 1 1 78 78 ALA CB C 113 18.897 18.897 19.029 -0.132 17578 5524 1 10 . 1 1 78 78 ALA H H 113 7.787 7.787 8.103 -0.316 17578 5525 1 10 . 1 1 79 79 GLY N N 114 104.082 104.082 102.838 1.244 17578 5526 1 10 . 1 1 79 79 GLY CA C 114 44.764 44.764 44.826 -0.062 17578 5527 1 10 . 1 1 79 79 GLY H H 114 7.756 7.756 7.751 0.005 17578 5528 1 10 . 1 1 80 80 ALA HA H 115 4.061 4.061 4.047 0.014 17578 5529 1 10 . 1 1 80 80 ALA CA C 115 53.192 53.192 52.746 0.446 17578 5530 1 10 . 1 1 80 80 ALA CB C 115 19.493 19.493 16.529 2.964 17578 5531 1 10 . 1 1 81 81 THR N N 116 116.258 116.258 113.371 2.887 17578 5532 1 10 . 1 1 81 81 THR CA C 116 57.223 57.223 61.056 -3.833 17578 5533 1 10 . 1 1 81 81 THR CB C 116 64.784 64.784 70.642 -5.858 17578 5534 1 10 . 1 1 81 81 THR H H 116 8.121 8.121 7.920 0.201 17578 5535 1 10 . 1 1 83 83 ARG N N 118 122.269 122.269 119.497 2.772 17578 5536 1 10 . 1 1 83 83 ARG H H 118 8.128 8.128 8.251 -0.123 17578 5537 1 10 . 1 1 85 85 THR N N 120 120.171 120.171 117.056 3.115 17578 5538 1 10 . 1 1 85 85 THR C C 120 172.729 172.729 174.349 -1.620 17578 5539 1 10 . 1 1 85 85 THR H H 120 8.127 8.127 8.047 0.080 17578 5540 1 10 . 1 1 86 86 SER N N 121 115.808 115.808 114.743 1.065 17578 5541 1 10 . 1 1 86 86 SER HA H 121 4.280 4.280 4.542 -0.262 17578 5542 1 10 . 1 1 86 86 SER CA C 121 59.573 59.573 58.300 1.273 17578 5543 1 10 . 1 1 86 86 SER CB C 121 64.384 64.384 64.163 0.221 17578 5544 1 10 . 1 1 86 86 SER H H 121 7.045 7.045 8.199 -1.154 17578 5545 1 10 . 1 1 87 87 VAL N N 122 115.790 115.790 119.063 -3.273 17578 5546 1 10 . 1 1 87 87 VAL HA H 122 5.203 5.203 4.511 0.692 17578 5547 1 10 . 1 1 87 87 VAL CA C 122 59.412 59.412 61.227 -1.815 17578 5548 1 10 . 1 1 87 87 VAL CB C 122 32.729 32.729 32.137 0.592 17578 5549 1 10 . 1 1 87 87 VAL H H 122 7.082 7.082 7.739 -0.657 17578 5550 1 10 . 1 1 88 88 VAL N N 123 119.313 119.313 126.944 -7.631 17578 5551 1 10 . 1 1 88 88 VAL HA H 123 5.097 5.097 5.007 0.090 17578 5552 1 10 . 1 1 88 88 VAL C C 123 172.990 172.990 173.713 -0.723 17578 5553 1 10 . 1 1 88 88 VAL CA C 123 58.925 58.925 59.924 -0.999 17578 5554 1 10 . 1 1 88 88 VAL CB C 123 35.929 35.929 34.873 1.056 17578 5555 1 10 . 1 1 88 88 VAL H H 123 8.948 8.948 8.296 0.652 17578 5556 1 10 . 1 1 89 89 PHE N N 124 122.616 122.616 128.139 -5.523 17578 5557 1 10 . 1 1 89 89 PHE HA H 124 5.641 5.641 5.683 -0.042 17578 5558 1 10 . 1 1 89 89 PHE C C 124 174.686 174.686 173.421 1.265 17578 5559 1 10 . 1 1 89 89 PHE CA C 124 52.579 52.579 54.457 -1.878 17578 5560 1 10 . 1 1 89 89 PHE CB C 124 42.392 42.392 42.484 -0.093 17578 5561 1 10 . 1 1 89 89 PHE H H 124 9.065 9.065 9.040 0.025 17578 5562 1 10 . 1 1 90 90 ILE N N 125 127.599 127.599 123.294 4.305 17578 5563 1 10 . 1 1 90 90 ILE HA H 125 4.268 4.268 3.960 0.308 17578 5564 1 10 . 1 1 90 90 ILE C C 125 173.652 173.652 174.961 -1.309 17578 5565 1 10 . 1 1 90 90 ILE CA C 125 61.605 61.605 60.617 0.988 17578 5566 1 10 . 1 1 90 90 ILE CB C 125 39.533 39.533 38.877 0.656 17578 5567 1 10 . 1 1 90 90 ILE H H 125 9.498 9.498 9.075 0.423 17578 5568 1 10 . 1 1 91 91 VAL N N 126 126.693 126.693 126.541 0.152 17578 5569 1 10 . 1 1 91 91 VAL HA H 126 4.595 4.595 4.696 -0.101 17578 5570 1 10 . 1 1 91 91 VAL CA C 126 58.380 58.380 58.988 -0.608 17578 5571 1 10 . 1 1 91 91 VAL CB C 126 32.597 32.597 31.157 1.440 17578 5572 1 10 . 1 1 91 91 VAL H H 126 8.169 8.169 8.442 -0.273 17578 5573 1 10 . 1 1 92 92 PRO HA H 127 4.044 4.044 4.465 -0.421 17578 5574 1 10 . 1 1 92 92 PRO CA C 127 63.380 63.380 62.663 0.717 17578 5575 1 10 . 1 1 92 92 PRO CB C 127 31.735 31.735 32.531 -0.795 17578 5576 1 10 . 1 1 93 93 GLY N N 128 108.589 108.589 106.459 2.130 17578 5577 1 10 . 1 1 93 93 GLY CA C 128 45.443 45.443 44.820 0.623 17578 5578 1 10 . 1 1 93 93 GLY H H 128 8.022 8.022 8.244 -0.222 17578 5579 1 10 . 1 1 94 94 SER N N 129 113.115 113.115 113.627 -0.512 17578 5580 1 10 . 1 1 94 94 SER H H 129 7.992 7.992 8.294 -0.302 17578 5581 1 10 . 1 1 95 95 ASN N N 130 120.738 120.738 121.837 -1.099 17578 5582 1 10 . 1 1 95 95 ASN C C 130 178.419 178.419 176.031 2.388 17578 5583 1 10 . 1 1 95 95 ASN CA C 130 57.337 57.337 56.308 1.029 17578 5584 1 10 . 1 1 95 95 ASN CB C 130 41.958 41.958 38.743 3.215 17578 5585 1 10 . 1 1 95 95 ASN H H 130 8.313 8.313 8.912 -0.599 17578 5586 1 10 . 1 1 96 96 LYS N N 131 119.159 119.159 117.069 2.090 17578 5587 1 10 . 1 1 96 96 LYS HA H 131 4.021 4.021 4.192 -0.171 17578 5588 1 10 . 1 1 96 96 LYS CA C 131 58.749 58.749 58.458 0.291 17578 5589 1 10 . 1 1 96 96 LYS CB C 131 29.565 29.565 32.754 -3.189 17578 5590 1 10 . 1 1 96 96 LYS H H 131 7.881 7.881 8.132 -0.251 17578 5591 1 10 . 1 1 97 97 LYS N N 132 117.399 117.399 119.807 -2.408 17578 5592 1 10 . 1 1 97 97 LYS CA C 132 58.413 58.413 58.165 0.248 17578 5593 1 10 . 1 1 97 97 LYS CB C 132 30.694 30.694 31.526 -0.832 17578 5594 1 10 . 1 1 97 97 LYS H H 132 7.765 7.765 8.243 -0.478 17578 5595 1 10 . 1 1 98 98 LYS N N 133 119.160 119.160 119.555 -0.395 17578 5596 1 10 . 1 1 98 98 LYS CA C 133 58.266 58.266 58.858 -0.592 17578 5597 1 10 . 1 1 98 98 LYS CB C 133 30.981 30.981 32.466 -1.485 17578 5598 1 10 . 1 1 98 98 LYS H H 133 8.070 8.070 7.929 0.141 17578 5599 1 10 . 1 1 99 99 ASP N N 134 120.602 120.602 116.615 3.987 17578 5600 1 10 . 1 1 99 99 ASP CA C 134 55.586 55.586 53.061 2.525 17578 5601 1 10 . 1 1 99 99 ASP CB C 134 41.898 41.898 39.679 2.219 17578 5602 1 10 . 1 1 99 99 ASP H H 134 8.255 8.255 7.693 0.562 17578 5603 1 10 . 1 1 100 100 GLY N N 135 108.785 108.785 109.174 -0.389 17578 5604 1 10 . 1 1 100 100 GLY CA C 135 45.536 45.536 44.449 1.087 17578 5605 1 10 . 1 1 100 100 GLY H H 135 8.451 8.451 7.818 0.633 17578 5606 1 10 . 1 1 101 101 LYS N N 136 120.171 120.171 119.318 0.853 17578 5607 1 10 . 1 1 101 101 LYS H H 136 8.127 8.127 8.422 -0.295 17578 5608 1 10 . 1 1 102 102 ASN N N 137 118.588 118.588 120.310 -1.722 17578 5609 1 10 . 1 1 102 102 ASN H H 137 8.481 8.481 7.886 0.595 17578 5610 1 10 . 1 1 103 103 LYS N N 138 121.739 121.739 120.133 1.606 17578 5611 1 10 . 1 1 103 103 LYS HA H 138 4.241 4.241 4.000 0.241 17578 5612 1 10 . 1 1 103 103 LYS CA C 138 56.760 56.760 58.644 -1.884 17578 5613 1 10 . 1 1 103 103 LYS CB C 138 32.691 32.691 31.226 1.465 17578 5614 1 10 . 1 1 103 103 LYS H H 138 8.318 8.318 8.544 -0.226 17578 5615 1 10 . 1 1 104 104 GLU N N 139 120.980 120.980 118.881 2.099 17578 5616 1 10 . 1 1 104 104 GLU CA C 139 57.235 57.235 59.859 -2.624 17578 5617 1 10 . 1 1 104 104 GLU CB C 139 29.893 29.893 29.115 0.778 17578 5618 1 10 . 1 1 104 104 GLU H H 139 8.478 8.478 8.669 -0.191 17578 5619 1 10 . 1 1 107 107 TYR N N 142 119.214 119.214 120.822 -1.608 17578 5620 1 10 . 1 1 107 107 TYR HA H 142 5.023 5.023 3.904 1.119 17578 5621 1 10 . 1 1 107 107 TYR C C 142 175.419 175.419 177.150 -1.731 17578 5622 1 10 . 1 1 107 107 TYR CA C 142 57.200 57.200 61.129 -3.929 17578 5623 1 10 . 1 1 107 107 TYR CB C 142 39.165 39.165 38.127 1.038 17578 5624 1 10 . 1 1 107 107 TYR H H 142 7.992 7.992 8.333 -0.341 17578 5625 1 10 . 1 1 108 108 LYS N N 143 123.500 123.500 118.776 4.724 17578 5626 1 10 . 1 1 108 108 LYS HA H 143 3.628 3.628 3.532 0.096 17578 5627 1 10 . 1 1 108 108 LYS CA C 143 59.619 59.619 59.088 0.531 17578 5628 1 10 . 1 1 108 108 LYS CB C 143 31.869 31.869 32.196 -0.327 17578 5629 1 10 . 1 1 108 108 LYS H H 143 7.377 7.377 8.252 -0.875 17578 5630 1 10 . 1 1 109 109 GLU N N 144 118.669 118.669 120.105 -1.436 17578 5631 1 10 . 1 1 109 109 GLU HA H 144 4.735 4.735 3.999 0.736 17578 5632 1 10 . 1 1 109 109 GLU CA C 144 59.865 59.865 59.828 0.037 17578 5633 1 10 . 1 1 109 109 GLU CB C 144 29.004 29.004 29.418 -0.414 17578 5634 1 10 . 1 1 109 109 GLU H H 144 8.583 8.583 8.089 0.494 17578 5635 1 10 . 1 1 110 110 SER N N 145 116.081 116.081 115.889 0.192 17578 5636 1 10 . 1 1 110 110 SER HA H 145 4.448 4.448 4.283 0.165 17578 5637 1 10 . 1 1 110 110 SER CB C 145 64.178 64.178 62.987 1.191 17578 5638 1 10 . 1 1 110 110 SER H H 145 8.117 8.117 8.041 0.076 17578 5639 1 10 . 1 1 111 111 PHE N N 146 122.134 122.134 121.928 0.206 17578 5640 1 10 . 1 1 111 111 PHE HA H 146 4.022 4.022 4.129 -0.107 17578 5641 1 10 . 1 1 111 111 PHE C C 146 175.751 175.751 177.354 -1.603 17578 5642 1 10 . 1 1 111 111 PHE CA C 146 62.159 62.159 59.329 2.830 17578 5643 1 10 . 1 1 111 111 PHE CB C 146 39.533 39.533 37.904 1.629 17578 5644 1 10 . 1 1 111 111 PHE H H 146 8.553 8.553 8.137 0.416 17578 5645 1 10 . 1 1 112 112 ASN N N 147 117.856 117.856 117.510 0.346 17578 5646 1 10 . 1 1 112 112 ASN HA H 147 4.269 4.269 4.293 -0.024 17578 5647 1 10 . 1 1 112 112 ASN CA C 147 55.881 55.881 56.693 -0.812 17578 5648 1 10 . 1 1 112 112 ASN CB C 147 37.663 37.663 38.355 -0.692 17578 5649 1 10 . 1 1 112 112 ASN H H 147 8.809 8.809 8.514 0.295 17578 5650 1 10 . 1 1 113 113 GLU N N 148 119.708 119.708 120.776 -1.068 17578 5651 1 10 . 1 1 113 113 GLU HA H 148 4.021 4.021 4.018 0.003 17578 5652 1 10 . 1 1 113 113 GLU CA C 148 59.385 59.385 59.095 0.290 17578 5653 1 10 . 1 1 113 113 GLU CB C 148 29.784 29.784 29.348 0.436 17578 5654 1 10 . 1 1 113 113 GLU H H 148 7.778 7.778 7.789 -0.011 17578 5655 1 10 . 1 1 114 114 VAL N N 149 119.680 119.680 119.821 -0.141 17578 5656 1 10 . 1 1 114 114 VAL HA H 149 3.556 3.556 3.679 -0.123 17578 5657 1 10 . 1 1 114 114 VAL CA C 149 66.625 66.625 67.362 -0.737 17578 5658 1 10 . 1 1 114 114 VAL CB C 149 31.368 31.368 31.796 -0.428 17578 5659 1 10 . 1 1 114 114 VAL H H 149 8.023 8.023 8.157 -0.134 17578 5660 1 10 . 1 1 115 115 VAL N N 150 119.684 119.684 116.711 2.973 17578 5661 1 10 . 1 1 115 115 VAL HA H 150 3.163 3.163 3.708 -0.545 17578 5662 1 10 . 1 1 115 115 VAL C C 150 177.270 177.270 177.907 -0.637 17578 5663 1 10 . 1 1 115 115 VAL CA C 150 67.984 67.984 65.235 2.749 17578 5664 1 10 . 1 1 115 115 VAL CB C 150 30.848 30.848 30.524 0.324 17578 5665 1 10 . 1 1 115 115 VAL H H 150 8.480 8.480 8.477 0.003 17578 5666 1 10 . 1 1 116 116 LYS N N 151 118.648 118.648 120.649 -2.001 17578 5667 1 10 . 1 1 116 116 LYS HA H 151 4.027 4.027 4.014 0.013 17578 5668 1 10 . 1 1 116 116 LYS CA C 151 59.691 59.691 59.180 0.511 17578 5669 1 10 . 1 1 116 116 LYS CB C 151 32.346 32.346 31.773 0.574 17578 5670 1 10 . 1 1 116 116 LYS H H 151 7.584 7.584 7.856 -0.272 17578 5671 1 10 . 1 1 117 117 GLU N N 152 120.177 120.177 119.975 0.202 17578 5672 1 10 . 1 1 117 117 GLU HA H 152 4.046 4.046 4.061 -0.015 17578 5673 1 10 . 1 1 117 117 GLU CA C 152 59.932 59.932 59.699 0.233 17578 5674 1 10 . 1 1 117 117 GLU CB C 152 29.663 29.663 29.334 0.330 17578 5675 1 10 . 1 1 117 117 GLU H H 152 7.528 7.528 7.970 -0.442 17578 5676 1 10 . 1 1 118 118 VAL N N 153 120.413 120.413 117.348 3.065 17578 5677 1 10 . 1 1 118 118 VAL HA H 153 3.421 3.421 3.793 -0.372 17578 5678 1 10 . 1 1 118 118 VAL CA C 153 67.196 67.196 65.776 1.420 17578 5679 1 10 . 1 1 118 118 VAL CB C 153 31.600 31.600 30.767 0.833 17578 5680 1 10 . 1 1 118 118 VAL H H 153 8.665 8.665 7.937 0.728 17578 5681 1 10 . 1 1 119 119 GLN N N 154 118.232 118.232 120.084 -1.852 17578 5682 1 10 . 1 1 119 119 GLN HA H 154 3.982 3.982 3.940 0.042 17578 5683 1 10 . 1 1 119 119 GLN CA C 154 59.651 59.651 57.998 1.653 17578 5684 1 10 . 1 1 119 119 GLN CB C 154 28.478 28.478 28.930 -0.452 17578 5685 1 10 . 1 1 119 119 GLN H H 154 8.950 8.950 7.934 1.016 17578 5686 1 10 . 1 1 120 120 ALA N N 155 120.568 120.568 122.086 -1.518 17578 5687 1 10 . 1 1 120 120 ALA HA H 155 4.223 4.223 4.177 0.046 17578 5688 1 10 . 1 1 120 120 ALA CA C 155 55.071 55.071 53.754 1.317 17578 5689 1 10 . 1 1 120 120 ALA CB C 155 17.952 17.952 19.538 -1.586 17578 5690 1 10 . 1 1 120 120 ALA H H 155 7.486 7.486 8.015 -0.529 17578 5691 1 11 . 1 1 2 2 LYS N N 37 124.035 124.035 122.413 1.622 17578 5692 1 11 . 1 1 2 2 LYS HA H 37 4.064 4.064 4.072 -0.008 17578 5693 1 11 . 1 1 2 2 LYS H H 37 7.786 7.786 8.586 -0.800 17578 5694 1 11 . 1 1 3 3 LYS HA H 38 4.026 4.026 4.147 -0.121 17578 5695 1 11 . 1 1 3 3 LYS C C 38 179.176 179.176 178.226 0.950 17578 5696 1 11 . 1 1 3 3 LYS CA C 38 59.781 59.781 58.637 1.144 17578 5697 1 11 . 1 1 3 3 LYS CB C 38 32.626 32.626 31.767 0.859 17578 5698 1 11 . 1 1 4 4 LEU N N 39 122.003 122.003 121.749 0.254 17578 5699 1 11 . 1 1 4 4 LEU HA H 39 4.159 4.159 4.011 0.148 17578 5700 1 11 . 1 1 4 4 LEU C C 39 178.232 178.232 178.774 -0.542 17578 5701 1 11 . 1 1 4 4 LEU CA C 39 57.470 57.470 57.814 -0.344 17578 5702 1 11 . 1 1 4 4 LEU CB C 39 40.343 40.343 41.488 -1.145 17578 5703 1 11 . 1 1 4 4 LEU H H 39 7.877 7.877 7.446 0.431 17578 5704 1 11 . 1 1 5 5 ASN N N 40 118.692 118.692 117.811 0.881 17578 5705 1 11 . 1 1 5 5 ASN HA H 40 3.997 3.997 4.278 -0.281 17578 5706 1 11 . 1 1 5 5 ASN C C 40 176.054 176.054 177.393 -1.339 17578 5707 1 11 . 1 1 5 5 ASN CA C 40 57.622 57.622 56.949 0.673 17578 5708 1 11 . 1 1 5 5 ASN CB C 40 40.113 40.113 38.464 1.649 17578 5709 1 11 . 1 1 5 5 ASN H H 40 9.313 9.313 8.394 0.919 17578 5710 1 11 . 1 1 6 6 LYS N N 41 115.497 115.497 120.120 -4.623 17578 5711 1 11 . 1 1 6 6 LYS HA H 41 3.928 3.928 3.992 -0.064 17578 5712 1 11 . 1 1 6 6 LYS C C 41 179.133 179.133 179.039 0.094 17578 5713 1 11 . 1 1 6 6 LYS CA C 41 59.909 59.909 59.393 0.516 17578 5714 1 11 . 1 1 6 6 LYS CB C 41 32.256 32.256 32.261 -0.005 17578 5715 1 11 . 1 1 6 6 LYS H H 41 7.230 7.230 7.553 -0.323 17578 5716 1 11 . 1 1 7 7 LYS N N 42 118.961 118.961 118.989 -0.028 17578 5717 1 11 . 1 1 7 7 LYS HA H 42 4.040 4.040 4.045 -0.005 17578 5718 1 11 . 1 1 7 7 LYS C C 42 180.272 180.272 179.052 1.220 17578 5719 1 11 . 1 1 7 7 LYS CA C 42 59.988 59.988 59.664 0.324 17578 5720 1 11 . 1 1 7 7 LYS CB C 42 33.462 33.462 32.339 1.123 17578 5721 1 11 . 1 1 7 7 LYS H H 42 7.367 7.367 8.121 -0.754 17578 5722 1 11 . 1 1 8 8 VAL N N 43 122.400 122.400 119.185 3.215 17578 5723 1 11 . 1 1 8 8 VAL HA H 43 3.303 3.303 3.955 -0.652 17578 5724 1 11 . 1 1 8 8 VAL CA C 43 67.430 67.430 66.846 0.584 17578 5725 1 11 . 1 1 8 8 VAL CB C 43 31.374 31.374 31.568 -0.194 17578 5726 1 11 . 1 1 8 8 VAL H H 43 9.215 9.215 8.543 0.673 17578 5727 1 11 . 1 1 9 9 LEU N N 44 119.626 119.626 122.164 -2.538 17578 5728 1 11 . 1 1 9 9 LEU HA H 44 3.833 3.833 4.179 -0.346 17578 5729 1 11 . 1 1 9 9 LEU CA C 44 58.453 58.453 58.002 0.451 17578 5730 1 11 . 1 1 9 9 LEU CB C 44 41.171 41.171 41.645 -0.474 17578 5731 1 11 . 1 1 9 9 LEU H H 44 8.471 8.471 8.205 0.266 17578 5732 1 11 . 1 1 10 10 LYS N N 45 119.761 119.761 117.726 2.035 17578 5733 1 11 . 1 1 10 10 LYS HA H 45 4.026 4.026 4.031 -0.005 17578 5734 1 11 . 1 1 10 10 LYS CA C 45 59.919 59.919 59.581 0.338 17578 5735 1 11 . 1 1 10 10 LYS CB C 45 32.430 32.430 31.889 0.541 17578 5736 1 11 . 1 1 10 10 LYS H H 45 7.883 7.883 8.376 -0.493 17578 5737 1 11 . 1 1 11 11 THR N N 46 116.469 116.469 118.010 -1.541 17578 5738 1 11 . 1 1 11 11 THR HA H 46 4.339 4.339 3.869 0.470 17578 5739 1 11 . 1 1 11 11 THR C C 46 175.987 175.987 176.484 -0.497 17578 5740 1 11 . 1 1 11 11 THR CB C 46 68.013 68.013 68.509 -0.496 17578 5741 1 11 . 1 1 11 11 THR H H 46 7.805 7.805 8.053 -0.248 17578 5742 1 11 . 1 1 12 12 VAL N N 47 121.907 121.907 121.350 0.557 17578 5743 1 11 . 1 1 12 12 VAL HA H 47 3.232 3.232 3.912 -0.680 17578 5744 1 11 . 1 1 12 12 VAL CA C 47 67.331 67.331 66.208 1.123 17578 5745 1 11 . 1 1 12 12 VAL CB C 47 31.438 31.438 31.866 -0.428 17578 5746 1 11 . 1 1 12 12 VAL H H 47 8.782 8.782 8.276 0.506 17578 5747 1 11 . 1 1 13 13 LYS N N 48 122.393 122.393 118.810 3.583 17578 5748 1 11 . 1 1 13 13 LYS HA H 48 4.258 4.258 4.049 0.209 17578 5749 1 11 . 1 1 13 13 LYS C C 48 179.808 179.808 178.977 0.831 17578 5750 1 11 . 1 1 13 13 LYS CA C 48 59.999 59.999 59.483 0.516 17578 5751 1 11 . 1 1 13 13 LYS CB C 48 32.553 32.553 32.109 0.444 17578 5752 1 11 . 1 1 13 13 LYS H H 48 8.171 8.171 8.067 0.104 17578 5753 1 11 . 1 1 14 14 LYS N N 49 118.852 118.852 118.365 0.487 17578 5754 1 11 . 1 1 14 14 LYS HA H 49 3.973 3.973 4.155 -0.182 17578 5755 1 11 . 1 1 14 14 LYS CA C 49 59.811 59.811 58.626 1.185 17578 5756 1 11 . 1 1 14 14 LYS CB C 49 33.389 33.389 32.504 0.885 17578 5757 1 11 . 1 1 14 14 LYS H H 49 7.941 7.941 7.857 0.084 17578 5758 1 11 . 1 1 15 15 ALA N N 50 122.047 122.047 122.472 -0.425 17578 5759 1 11 . 1 1 15 15 ALA HA H 50 3.496 3.496 4.059 -0.563 17578 5760 1 11 . 1 1 15 15 ALA CA C 50 54.709 54.709 54.723 -0.014 17578 5761 1 11 . 1 1 15 15 ALA CB C 50 18.917 18.917 17.877 1.040 17578 5762 1 11 . 1 1 15 15 ALA H H 50 8.544 8.544 8.071 0.473 17578 5763 1 11 . 1 1 16 16 SER N N 51 116.561 116.561 114.006 2.555 17578 5764 1 11 . 1 1 16 16 SER HA H 51 4.730 4.730 4.159 0.571 17578 5765 1 11 . 1 1 16 16 SER C C 51 178.560 178.560 176.992 1.568 17578 5766 1 11 . 1 1 16 16 SER CA C 51 61.680 61.680 61.781 -0.101 17578 5767 1 11 . 1 1 16 16 SER CB C 51 62.551 62.551 62.877 -0.326 17578 5768 1 11 . 1 1 16 16 SER H H 51 8.551 8.551 8.364 0.187 17578 5769 1 11 . 1 1 17 17 LYS N N 52 124.890 124.890 121.084 3.806 17578 5770 1 11 . 1 1 17 17 LYS HA H 52 4.072 4.072 4.107 -0.035 17578 5771 1 11 . 1 1 17 17 LYS C C 52 177.377 177.377 177.404 -0.027 17578 5772 1 11 . 1 1 17 17 LYS CA C 52 58.931 58.931 58.440 0.491 17578 5773 1 11 . 1 1 17 17 LYS CB C 52 31.961 31.961 32.353 -0.392 17578 5774 1 11 . 1 1 17 17 LYS H H 52 7.578 7.578 7.660 -0.082 17578 5775 1 11 . 1 1 18 18 ALA N N 53 118.628 118.628 118.736 -0.108 17578 5776 1 11 . 1 1 18 18 ALA HA H 53 4.285 4.285 4.395 -0.110 17578 5777 1 11 . 1 1 18 18 ALA C C 53 175.061 175.061 176.487 -1.426 17578 5778 1 11 . 1 1 18 18 ALA CA C 53 51.822 51.822 51.162 0.660 17578 5779 1 11 . 1 1 18 18 ALA CB C 53 19.390 19.390 19.089 0.301 17578 5780 1 11 . 1 1 18 18 ALA H H 53 7.112 7.112 7.526 -0.414 17578 5781 1 11 . 1 1 19 19 LYS N N 54 111.984 111.984 116.611 -4.627 17578 5782 1 11 . 1 1 19 19 LYS HA H 54 4.026 4.026 3.992 0.034 17578 5783 1 11 . 1 1 19 19 LYS CA C 54 57.222 57.222 57.183 0.039 17578 5784 1 11 . 1 1 19 19 LYS CB C 54 28.387 28.387 30.369 -1.982 17578 5785 1 11 . 1 1 19 19 LYS H H 54 7.653 7.653 8.016 -0.363 17578 5786 1 11 . 1 1 20 20 ASN N N 55 116.088 116.088 115.428 0.660 17578 5787 1 11 . 1 1 20 20 ASN HA H 55 5.102 5.102 4.877 0.225 17578 5788 1 11 . 1 1 20 20 ASN C C 55 172.975 172.975 174.186 -1.211 17578 5789 1 11 . 1 1 20 20 ASN CA C 55 51.215 51.215 52.490 -1.275 17578 5790 1 11 . 1 1 20 20 ASN CB C 55 40.316 40.316 39.094 1.222 17578 5791 1 11 . 1 1 20 20 ASN H H 55 8.118 8.118 7.745 0.373 17578 5792 1 11 . 1 1 21 21 VAL N N 56 114.959 114.959 118.529 -3.570 17578 5793 1 11 . 1 1 21 21 VAL HA H 56 4.938 4.938 4.140 0.798 17578 5794 1 11 . 1 1 21 21 VAL C C 56 175.409 175.409 173.644 1.765 17578 5795 1 11 . 1 1 21 21 VAL CA C 56 60.901 60.901 60.469 0.432 17578 5796 1 11 . 1 1 21 21 VAL CB C 56 35.368 35.368 34.124 1.244 17578 5797 1 11 . 1 1 21 21 VAL H H 56 7.628 7.628 7.524 0.104 17578 5798 1 11 . 1 1 22 22 LYS N N 57 126.485 126.485 126.467 0.018 17578 5799 1 11 . 1 1 22 22 LYS HA H 57 4.712 4.712 4.657 0.056 17578 5800 1 11 . 1 1 22 22 LYS C C 57 175.394 175.394 174.303 1.091 17578 5801 1 11 . 1 1 22 22 LYS CA C 57 54.485 54.485 54.230 0.255 17578 5802 1 11 . 1 1 22 22 LYS CB C 57 33.669 33.669 36.740 -3.071 17578 5803 1 11 . 1 1 22 22 LYS H H 57 8.987 8.987 8.552 0.435 17578 5804 1 11 . 1 1 23 23 ARG N N 58 122.011 122.011 119.673 2.338 17578 5805 1 11 . 1 1 23 23 ARG HA H 58 4.837 4.837 5.254 -0.417 17578 5806 1 11 . 1 1 23 23 ARG C C 58 175.930 175.930 175.762 0.168 17578 5807 1 11 . 1 1 23 23 ARG CA C 58 55.872 55.872 54.716 1.156 17578 5808 1 11 . 1 1 23 23 ARG CB C 58 33.513 33.513 33.009 0.504 17578 5809 1 11 . 1 1 23 23 ARG H H 58 9.024 9.024 8.670 0.354 17578 5810 1 11 . 1 1 24 24 GLY N N 59 111.007 111.007 112.057 -1.050 17578 5811 1 11 . 1 1 24 24 GLY CA C 59 44.790 44.790 44.822 -0.032 17578 5812 1 11 . 1 1 24 24 GLY H H 59 8.315 8.315 9.032 -0.717 17578 5813 1 11 . 1 1 25 25 VAL N N 60 119.423 119.423 121.506 -2.083 17578 5814 1 11 . 1 1 25 25 VAL HA H 60 3.156 3.156 3.524 -0.368 17578 5815 1 11 . 1 1 25 25 VAL C C 60 176.562 176.562 176.760 -0.198 17578 5816 1 11 . 1 1 25 25 VAL CA C 60 68.037 68.037 65.596 2.441 17578 5817 1 11 . 1 1 25 25 VAL CB C 60 32.050 32.050 31.899 0.151 17578 5818 1 11 . 1 1 25 25 VAL H H 60 8.152 8.152 8.542 -0.390 17578 5819 1 11 . 1 1 26 26 LYS N N 61 117.316 117.316 118.709 -1.393 17578 5820 1 11 . 1 1 26 26 LYS HA H 61 3.919 3.919 4.045 -0.126 17578 5821 1 11 . 1 1 26 26 LYS C C 61 180.130 180.130 178.562 1.568 17578 5822 1 11 . 1 1 26 26 LYS CA C 61 60.157 60.157 59.382 0.775 17578 5823 1 11 . 1 1 26 26 LYS CB C 61 32.041 32.041 31.826 0.215 17578 5824 1 11 . 1 1 26 26 LYS H H 61 8.156 8.156 8.665 -0.509 17578 5825 1 11 . 1 1 27 27 GLU N N 62 117.535 117.535 119.371 -1.836 17578 5826 1 11 . 1 1 27 27 GLU HA H 62 3.961 3.961 4.182 -0.221 17578 5827 1 11 . 1 1 27 27 GLU CA C 62 58.787 58.787 58.939 -0.152 17578 5828 1 11 . 1 1 27 27 GLU CB C 62 29.843 29.843 29.285 0.558 17578 5829 1 11 . 1 1 27 27 GLU H H 62 8.531 8.531 7.760 0.771 17578 5830 1 11 . 1 1 28 28 VAL N N 63 120.589 120.589 118.019 2.570 17578 5831 1 11 . 1 1 28 28 VAL HA H 63 3.498 3.498 2.717 0.781 17578 5832 1 11 . 1 1 28 28 VAL CA C 63 68.099 68.099 65.347 2.752 17578 5833 1 11 . 1 1 28 28 VAL CB C 63 31.376 31.376 30.350 1.026 17578 5834 1 11 . 1 1 28 28 VAL H H 63 8.255 8.255 8.013 0.242 17578 5835 1 11 . 1 1 29 29 VAL N N 64 118.570 118.570 120.743 -2.173 17578 5836 1 11 . 1 1 29 29 VAL HA H 64 3.359 3.359 3.554 -0.195 17578 5837 1 11 . 1 1 29 29 VAL C C 64 177.549 177.549 177.829 -0.280 17578 5838 1 11 . 1 1 29 29 VAL CA C 64 67.456 67.456 66.399 1.057 17578 5839 1 11 . 1 1 29 29 VAL CB C 64 31.233 31.233 30.414 0.819 17578 5840 1 11 . 1 1 29 29 VAL H H 64 8.535 8.535 7.997 0.538 17578 5841 1 11 . 1 1 30 30 LYS N N 65 117.926 117.926 120.439 -2.513 17578 5842 1 11 . 1 1 30 30 LYS HA H 65 3.875 3.875 3.874 0.001 17578 5843 1 11 . 1 1 30 30 LYS CA C 65 59.811 59.811 59.653 0.158 17578 5844 1 11 . 1 1 30 30 LYS CB C 65 32.715 32.715 32.264 0.452 17578 5845 1 11 . 1 1 30 30 LYS H H 65 7.538 7.538 7.825 -0.287 17578 5846 1 11 . 1 1 31 31 ALA N N 66 120.475 120.475 121.163 -0.688 17578 5847 1 11 . 1 1 31 31 ALA HA H 66 4.071 4.071 4.104 -0.033 17578 5848 1 11 . 1 1 31 31 ALA C C 66 179.596 179.596 179.471 0.125 17578 5849 1 11 . 1 1 31 31 ALA CA C 66 55.051 55.051 54.755 0.296 17578 5850 1 11 . 1 1 31 31 ALA CB C 66 18.901 18.901 17.956 0.945 17578 5851 1 11 . 1 1 31 31 ALA H H 66 7.496 7.496 7.830 -0.334 17578 5852 1 11 . 1 1 32 32 LEU N N 67 119.357 119.357 120.126 -0.769 17578 5853 1 11 . 1 1 32 32 LEU HA H 67 3.854 3.854 3.759 0.095 17578 5854 1 11 . 1 1 32 32 LEU CA C 67 57.859 57.859 57.305 0.554 17578 5855 1 11 . 1 1 32 32 LEU CB C 67 42.442 42.442 41.877 0.565 17578 5856 1 11 . 1 1 32 32 LEU H H 67 8.376 8.376 7.666 0.710 17578 5857 1 11 . 1 1 33 33 ARG N N 68 116.045 116.045 116.706 -0.661 17578 5858 1 11 . 1 1 33 33 ARG HA H 68 3.802 3.802 3.973 -0.171 17578 5859 1 11 . 1 1 33 33 ARG CA C 68 59.306 59.306 57.465 1.841 17578 5860 1 11 . 1 1 33 33 ARG CB C 68 29.759 29.759 30.257 -0.498 17578 5861 1 11 . 1 1 33 33 ARG H H 68 8.091 8.091 7.828 0.263 17578 5862 1 11 . 1 1 34 34 LYS N N 69 117.845 117.845 116.603 1.242 17578 5863 1 11 . 1 1 34 34 LYS HA H 69 4.255 4.255 4.162 0.093 17578 5864 1 11 . 1 1 34 34 LYS C C 69 176.831 176.831 177.564 -0.733 17578 5865 1 11 . 1 1 34 34 LYS CA C 69 56.548 56.548 57.297 -0.749 17578 5866 1 11 . 1 1 34 34 LYS CB C 69 32.710 32.710 33.369 -0.659 17578 5867 1 11 . 1 1 34 34 LYS H H 69 7.616 7.616 7.874 -0.258 17578 5868 1 11 . 1 1 35 35 GLY N N 70 106.783 106.783 105.915 0.868 17578 5869 1 11 . 1 1 35 35 GLY CA C 70 45.537 45.537 45.152 0.385 17578 5870 1 11 . 1 1 35 35 GLY H H 70 7.739 7.739 8.401 -0.662 17578 5871 1 11 . 1 1 36 36 GLU N N 71 119.424 119.424 119.421 0.003 17578 5872 1 11 . 1 1 36 36 GLU HA H 71 4.226 4.226 4.379 -0.153 17578 5873 1 11 . 1 1 36 36 GLU C C 71 175.400 175.400 176.498 -1.098 17578 5874 1 11 . 1 1 36 36 GLU CA C 71 57.414 57.414 56.513 0.901 17578 5875 1 11 . 1 1 36 36 GLU CB C 71 29.442 29.442 29.505 -0.063 17578 5876 1 11 . 1 1 36 36 GLU H H 71 7.698 7.698 8.395 -0.697 17578 5877 1 11 . 1 1 37 37 LYS N N 72 118.290 118.290 121.386 -3.096 17578 5878 1 11 . 1 1 37 37 LYS HA H 72 4.903 4.903 4.223 0.680 17578 5879 1 11 . 1 1 37 37 LYS C C 72 175.809 175.809 176.154 -0.345 17578 5880 1 11 . 1 1 37 37 LYS CA C 72 53.791 53.791 57.553 -3.762 17578 5881 1 11 . 1 1 37 37 LYS CB C 72 34.781 34.781 32.651 2.130 17578 5882 1 11 . 1 1 37 37 LYS H H 72 8.223 8.223 7.241 0.982 17578 5883 1 11 . 1 1 38 38 GLY N N 73 104.682 104.682 110.601 -5.919 17578 5884 1 11 . 1 1 38 38 GLY C C 73 171.884 171.884 173.768 -1.884 17578 5885 1 11 . 1 1 38 38 GLY CA C 73 46.360 46.360 45.026 1.334 17578 5886 1 11 . 1 1 38 38 GLY H H 73 7.217 7.217 8.263 -1.046 17578 5887 1 11 . 1 1 39 39 LEU N N 74 125.372 125.372 122.387 2.985 17578 5888 1 11 . 1 1 39 39 LEU HA H 74 4.994 4.994 4.823 0.171 17578 5889 1 11 . 1 1 39 39 LEU C C 74 174.380 174.380 175.912 -1.532 17578 5890 1 11 . 1 1 39 39 LEU CA C 74 54.363 54.363 53.413 0.949 17578 5891 1 11 . 1 1 39 39 LEU CB C 74 47.028 47.028 42.966 4.062 17578 5892 1 11 . 1 1 39 39 LEU H H 74 8.945 8.945 8.100 0.845 17578 5893 1 11 . 1 1 40 40 VAL N N 75 130.967 130.967 125.387 5.580 17578 5894 1 11 . 1 1 40 40 VAL HA H 75 4.644 4.644 4.234 0.410 17578 5895 1 11 . 1 1 40 40 VAL C C 75 173.667 173.667 174.399 -0.732 17578 5896 1 11 . 1 1 40 40 VAL CA C 75 62.273 62.273 62.625 -0.352 17578 5897 1 11 . 1 1 40 40 VAL CB C 75 32.591 32.591 32.605 -0.014 17578 5898 1 11 . 1 1 40 40 VAL H H 75 8.551 8.551 8.800 -0.249 17578 5899 1 11 . 1 1 41 41 VAL N N 76 127.493 127.493 127.040 0.453 17578 5900 1 11 . 1 1 41 41 VAL HA H 76 4.660 4.660 4.280 0.380 17578 5901 1 11 . 1 1 41 41 VAL C C 76 173.669 173.669 174.674 -1.005 17578 5902 1 11 . 1 1 41 41 VAL CA C 76 60.899 60.899 61.175 -0.276 17578 5903 1 11 . 1 1 41 41 VAL CB C 76 33.346 33.346 32.510 0.836 17578 5904 1 11 . 1 1 41 41 VAL H H 76 8.804 8.804 8.906 -0.102 17578 5905 1 11 . 1 1 42 42 ILE N N 77 125.646 125.646 127.211 -1.565 17578 5906 1 11 . 1 1 42 42 ILE HA H 77 4.444 4.444 4.358 0.086 17578 5907 1 11 . 1 1 42 42 ILE C C 77 174.817 174.817 174.412 0.405 17578 5908 1 11 . 1 1 42 42 ILE CA C 77 59.700 59.700 58.304 1.396 17578 5909 1 11 . 1 1 42 42 ILE CB C 77 39.977 39.977 38.997 0.980 17578 5910 1 11 . 1 1 42 42 ILE H H 77 8.613 8.613 8.491 0.122 17578 5911 1 11 . 1 1 43 43 ALA N N 78 128.691 128.691 129.196 -0.505 17578 5912 1 11 . 1 1 43 43 ALA HA H 78 4.459 4.459 5.230 -0.771 17578 5913 1 11 . 1 1 43 43 ALA C C 78 177.584 177.584 178.494 -0.910 17578 5914 1 11 . 1 1 43 43 ALA CA C 78 52.372 52.372 49.917 2.455 17578 5915 1 11 . 1 1 43 43 ALA CB C 78 19.504 19.504 19.578 -0.073 17578 5916 1 11 . 1 1 43 43 ALA H H 78 8.565 8.565 7.962 0.603 17578 5917 1 11 . 1 1 44 44 GLY N N 79 103.957 103.957 110.190 -6.233 17578 5918 1 11 . 1 1 44 44 GLY C C 79 173.252 173.252 174.861 -1.609 17578 5919 1 11 . 1 1 44 44 GLY CA C 79 45.764 45.764 46.100 -0.336 17578 5920 1 11 . 1 1 44 44 GLY H H 79 9.083 9.083 8.814 0.269 17578 5921 1 11 . 1 1 45 45 ASP N N 80 118.632 118.632 120.503 -1.871 17578 5922 1 11 . 1 1 45 45 ASP HA H 80 4.918 4.918 5.090 -0.172 17578 5923 1 11 . 1 1 45 45 ASP CA C 80 52.689 52.689 53.931 -1.242 17578 5924 1 11 . 1 1 45 45 ASP CB C 80 39.118 39.118 40.249 -1.131 17578 5925 1 11 . 1 1 45 45 ASP H H 80 8.695 8.695 8.461 0.234 17578 5926 1 11 . 1 1 46 46 ILE N N 81 117.935 117.935 120.384 -2.449 17578 5927 1 11 . 1 1 46 46 ILE HA H 81 4.179 4.179 4.527 -0.348 17578 5928 1 11 . 1 1 46 46 ILE C C 81 172.890 172.890 174.572 -1.682 17578 5929 1 11 . 1 1 46 46 ILE CA C 81 59.242 59.242 59.555 -0.313 17578 5930 1 11 . 1 1 46 46 ILE CB C 81 39.253 39.253 41.145 -1.892 17578 5931 1 11 . 1 1 46 46 ILE H H 81 6.730 6.730 7.154 -0.424 17578 5932 1 11 . 1 1 47 47 TRP N N 82 123.585 123.585 123.941 -0.356 17578 5933 1 11 . 1 1 47 47 TRP HA H 82 4.587 4.587 5.038 -0.451 17578 5934 1 11 . 1 1 47 47 TRP CA C 82 55.386 55.386 55.786 -0.400 17578 5935 1 11 . 1 1 47 47 TRP CB C 82 32.147 32.147 31.018 1.129 17578 5936 1 11 . 1 1 47 47 TRP H H 82 7.804 7.804 8.405 -0.601 17578 5937 1 11 . 1 1 48 48 PRO HA H 83 4.248 4.248 4.862 -0.614 17578 5938 1 11 . 1 1 48 48 PRO CA C 83 62.712 62.712 62.698 0.014 17578 5939 1 11 . 1 1 48 48 PRO CB C 83 34.011 34.011 32.685 1.326 17578 5940 1 11 . 1 1 49 49 ALA N N 84 121.827 121.827 120.002 1.825 17578 5941 1 11 . 1 1 49 49 ALA HA H 84 3.969 3.969 3.894 0.075 17578 5942 1 11 . 1 1 49 49 ALA CA C 84 54.183 54.183 52.588 1.595 17578 5943 1 11 . 1 1 49 49 ALA CB C 84 19.404 19.404 18.434 0.970 17578 5944 1 11 . 1 1 49 49 ALA H H 84 8.198 8.198 8.413 -0.215 17578 5945 1 11 . 1 1 50 50 ASP N N 85 114.049 114.049 120.125 -6.076 17578 5946 1 11 . 1 1 50 50 ASP HA H 85 4.301 4.301 4.323 -0.022 17578 5947 1 11 . 1 1 50 50 ASP C C 85 177.428 177.428 178.338 -0.910 17578 5948 1 11 . 1 1 50 50 ASP CA C 85 55.777 55.777 56.993 -1.216 17578 5949 1 11 . 1 1 50 50 ASP CB C 85 40.060 40.060 39.714 0.346 17578 5950 1 11 . 1 1 50 50 ASP H H 85 8.008 8.008 8.786 -0.778 17578 5951 1 11 . 1 1 51 51 VAL N N 86 116.790 116.790 115.490 1.300 17578 5952 1 11 . 1 1 51 51 VAL HA H 86 3.841 3.841 3.553 0.288 17578 5953 1 11 . 1 1 51 51 VAL C C 86 176.231 176.231 177.288 -1.057 17578 5954 1 11 . 1 1 51 51 VAL CA C 86 65.332 65.332 65.344 -0.012 17578 5955 1 11 . 1 1 51 51 VAL CB C 86 32.123 32.123 30.998 1.125 17578 5956 1 11 . 1 1 51 51 VAL H H 86 7.542 7.542 7.158 0.384 17578 5957 1 11 . 1 1 52 52 ILE N N 87 107.529 107.529 119.887 -12.358 17578 5958 1 11 . 1 1 52 52 ILE HA H 87 4.638 4.638 3.697 0.941 17578 5959 1 11 . 1 1 52 52 ILE C C 87 178.026 178.026 177.336 0.690 17578 5960 1 11 . 1 1 52 52 ILE CA C 87 59.806 59.806 64.572 -4.766 17578 5961 1 11 . 1 1 52 52 ILE CB C 87 40.742 40.742 37.537 3.205 17578 5962 1 11 . 1 1 52 52 ILE H H 87 7.310 7.310 8.505 -1.195 17578 5963 1 11 . 1 1 53 53 SER N N 88 116.004 116.004 113.825 2.179 17578 5964 1 11 . 1 1 53 53 SER HA H 88 4.566 4.566 4.481 0.085 17578 5965 1 11 . 1 1 53 53 SER CA C 88 61.760 61.760 61.197 0.563 17578 5966 1 11 . 1 1 53 53 SER CB C 88 62.391 62.391 64.191 -1.800 17578 5967 1 11 . 1 1 53 53 SER H H 88 7.827 7.827 8.099 -0.272 17578 5968 1 11 . 1 1 54 54 HIS HA H 89 4.572 4.572 4.381 0.191 17578 5969 1 11 . 1 1 54 54 HIS CA C 89 56.789 56.789 59.566 -2.776 17578 5970 1 11 . 1 1 54 54 HIS CB C 89 30.527 30.527 29.568 0.959 17578 5971 1 11 . 1 1 55 55 ILE N N 90 120.579 120.579 120.715 -0.136 17578 5972 1 11 . 1 1 55 55 ILE HA H 90 3.512 3.512 3.497 0.015 17578 5973 1 11 . 1 1 55 55 ILE CA C 90 65.424 65.424 67.062 -1.638 17578 5974 1 11 . 1 1 55 55 ILE CB C 90 34.176 34.176 35.809 -1.633 17578 5975 1 11 . 1 1 55 55 ILE H H 90 7.764 7.764 8.230 -0.466 17578 5976 1 11 . 1 1 56 56 PRO HA H 91 2.942 2.942 4.236 -1.294 17578 5977 1 11 . 1 1 56 56 PRO C C 91 177.032 177.032 178.657 -1.625 17578 5978 1 11 . 1 1 56 56 PRO CA C 91 66.842 66.842 66.154 0.688 17578 5979 1 11 . 1 1 56 56 PRO CB C 91 31.206 31.206 31.039 0.167 17578 5980 1 11 . 1 1 57 57 VAL N N 92 114.379 114.379 118.661 -4.282 17578 5981 1 11 . 1 1 57 57 VAL HA H 92 3.574 3.574 3.669 -0.095 17578 5982 1 11 . 1 1 57 57 VAL CA C 92 65.900 65.900 66.096 -0.196 17578 5983 1 11 . 1 1 57 57 VAL CB C 92 31.600 31.600 31.710 -0.110 17578 5984 1 11 . 1 1 57 57 VAL H H 92 6.497 6.497 7.576 -1.079 17578 5985 1 11 . 1 1 58 58 LEU N N 93 120.522 120.522 118.432 2.090 17578 5986 1 11 . 1 1 58 58 LEU HA H 93 4.227 4.227 4.259 -0.032 17578 5987 1 11 . 1 1 58 58 LEU C C 93 180.251 180.251 178.289 1.962 17578 5988 1 11 . 1 1 58 58 LEU CA C 93 57.838 57.838 57.846 -0.008 17578 5989 1 11 . 1 1 58 58 LEU CB C 93 43.172 43.172 41.328 1.844 17578 5990 1 11 . 1 1 58 58 LEU H H 93 7.460 7.460 7.804 -0.344 17578 5991 1 11 . 1 1 59 59 CYS N N 94 117.195 117.195 119.969 -2.774 17578 5992 1 11 . 1 1 59 59 CYS HA H 94 3.867 3.867 4.293 -0.426 17578 5993 1 11 . 1 1 59 59 CYS C C 94 176.362 176.362 176.819 -0.457 17578 5994 1 11 . 1 1 59 59 CYS CA C 94 65.379 65.379 63.379 2.001 17578 5995 1 11 . 1 1 59 59 CYS CB C 94 26.344 26.344 27.901 -1.556 17578 5996 1 11 . 1 1 59 59 CYS H H 94 8.335 8.335 8.015 0.320 17578 5997 1 11 . 1 1 60 60 GLU N N 95 120.777 120.777 118.671 2.106 17578 5998 1 11 . 1 1 60 60 GLU HA H 95 4.209 4.209 4.108 0.101 17578 5999 1 11 . 1 1 60 60 GLU CA C 95 59.760 59.760 58.677 1.083 17578 6000 1 11 . 1 1 60 60 GLU CB C 95 29.201 29.201 29.680 -0.479 17578 6001 1 11 . 1 1 60 60 GLU H H 95 8.235 8.235 8.384 -0.149 17578 6002 1 11 . 1 1 61 61 ASP N N 96 120.910 120.910 118.559 2.351 17578 6003 1 11 . 1 1 61 61 ASP HA H 96 4.292 4.292 4.507 -0.215 17578 6004 1 11 . 1 1 61 61 ASP C C 96 177.890 177.890 177.669 0.221 17578 6005 1 11 . 1 1 61 61 ASP CA C 96 57.235 57.235 56.041 1.194 17578 6006 1 11 . 1 1 61 61 ASP CB C 96 40.580 40.580 41.343 -0.762 17578 6007 1 11 . 1 1 61 61 ASP H H 96 8.509 8.509 7.758 0.751 17578 6008 1 11 . 1 1 62 62 HIS N N 97 115.923 115.923 117.050 -1.127 17578 6009 1 11 . 1 1 62 62 HIS HA H 97 4.495 4.495 4.818 -0.323 17578 6010 1 11 . 1 1 62 62 HIS C C 97 173.548 173.548 174.363 -0.815 17578 6011 1 11 . 1 1 62 62 HIS CA C 97 57.290 57.290 55.848 1.442 17578 6012 1 11 . 1 1 62 62 HIS CB C 97 29.997 29.997 32.360 -2.363 17578 6013 1 11 . 1 1 62 62 HIS H H 97 7.635 7.635 7.981 -0.346 17578 6014 1 11 . 1 1 63 63 SER N N 98 114.634 114.634 114.823 -0.189 17578 6015 1 11 . 1 1 63 63 SER HA H 98 4.489 4.489 4.199 0.290 17578 6016 1 11 . 1 1 63 63 SER C C 98 173.949 173.949 172.296 1.653 17578 6017 1 11 . 1 1 63 63 SER CA C 98 58.842 58.842 58.914 -0.072 17578 6018 1 11 . 1 1 63 63 SER CB C 98 61.396 61.396 62.508 -1.112 17578 6019 1 11 . 1 1 63 63 SER H H 98 7.888 7.888 8.210 -0.322 17578 6020 1 11 . 1 1 64 64 VAL N N 99 123.090 123.090 124.198 -1.108 17578 6021 1 11 . 1 1 64 64 VAL HA H 99 4.721 4.721 4.387 0.334 17578 6022 1 11 . 1 1 64 64 VAL CA C 99 58.978 58.978 58.475 0.503 17578 6023 1 11 . 1 1 64 64 VAL CB C 99 35.228 35.228 35.717 -0.489 17578 6024 1 11 . 1 1 64 64 VAL H H 99 8.590 8.590 7.602 0.988 17578 6025 1 11 . 1 1 65 65 PRO HA H 100 4.263 4.263 4.288 -0.025 17578 6026 1 11 . 1 1 65 65 PRO C C 100 173.191 173.191 175.701 -2.510 17578 6027 1 11 . 1 1 65 65 PRO CA C 100 63.427 63.427 62.501 0.926 17578 6028 1 11 . 1 1 65 65 PRO CB C 100 31.863 31.863 31.111 0.752 17578 6029 1 11 . 1 1 66 66 TYR N N 101 114.702 114.702 122.596 -7.894 17578 6030 1 11 . 1 1 66 66 TYR HA H 101 5.925 5.925 5.300 0.625 17578 6031 1 11 . 1 1 66 66 TYR CA C 101 53.501 53.501 56.252 -2.751 17578 6032 1 11 . 1 1 66 66 TYR CB C 101 41.793 41.793 41.258 0.535 17578 6033 1 11 . 1 1 66 66 TYR H H 101 6.243 6.243 7.521 -1.278 17578 6034 1 11 . 1 1 67 67 ILE N N 102 111.885 111.885 116.672 -4.787 17578 6035 1 11 . 1 1 67 67 ILE HA H 102 4.502 4.502 4.429 0.073 17578 6036 1 11 . 1 1 67 67 ILE C C 102 172.358 172.358 174.165 -1.807 17578 6037 1 11 . 1 1 67 67 ILE CA C 102 55.442 55.442 60.378 -4.936 17578 6038 1 11 . 1 1 67 67 ILE CB C 102 43.124 43.124 42.749 0.374 17578 6039 1 11 . 1 1 67 67 ILE H H 102 7.986 7.986 8.449 -0.463 17578 6040 1 11 . 1 1 68 68 PHE N N 103 122.274 122.274 126.464 -4.190 17578 6041 1 11 . 1 1 68 68 PHE HA H 103 5.087 5.087 4.899 0.188 17578 6042 1 11 . 1 1 68 68 PHE C C 103 176.173 176.173 174.650 1.523 17578 6043 1 11 . 1 1 68 68 PHE CA C 103 56.103 56.103 57.051 -0.948 17578 6044 1 11 . 1 1 68 68 PHE CB C 103 39.891 39.891 40.039 -0.148 17578 6045 1 11 . 1 1 68 68 PHE H H 103 8.108 8.108 8.615 -0.507 17578 6046 1 11 . 1 1 69 69 ILE N N 104 114.613 114.613 121.595 -6.982 17578 6047 1 11 . 1 1 69 69 ILE HA H 104 4.927 4.927 4.963 -0.036 17578 6048 1 11 . 1 1 69 69 ILE CA C 104 57.831 57.831 58.165 -0.334 17578 6049 1 11 . 1 1 69 69 ILE CB C 104 38.302 38.302 39.790 -1.488 17578 6050 1 11 . 1 1 69 69 ILE H H 104 8.843 8.843 8.428 0.415 17578 6051 1 11 . 1 1 70 70 PRO HA H 105 4.093 4.093 4.843 -0.750 17578 6052 1 11 . 1 1 70 70 PRO CA C 105 66.439 66.439 62.898 3.541 17578 6053 1 11 . 1 1 70 70 PRO CB C 105 32.879 32.879 32.959 -0.080 17578 6054 1 11 . 1 1 71 71 SER N N 106 106.896 106.896 113.551 -6.655 17578 6055 1 11 . 1 1 71 71 SER HA H 106 5.227 5.227 4.587 0.640 17578 6056 1 11 . 1 1 71 71 SER CA C 106 55.373 55.373 58.724 -3.351 17578 6057 1 11 . 1 1 71 71 SER CB C 106 64.696 64.696 63.989 0.707 17578 6058 1 11 . 1 1 71 71 SER H H 106 7.548 7.548 8.295 -0.747 17578 6059 1 11 . 1 1 72 72 LYS N N 107 119.881 119.881 122.175 -2.294 17578 6060 1 11 . 1 1 72 72 LYS HA H 107 4.191 4.191 3.844 0.347 17578 6061 1 11 . 1 1 72 72 LYS CA C 107 58.623 58.623 60.390 -1.767 17578 6062 1 11 . 1 1 72 72 LYS CB C 107 30.957 30.957 32.055 -1.098 17578 6063 1 11 . 1 1 72 72 LYS H H 107 8.328 8.328 8.564 -0.236 17578 6064 1 11 . 1 1 73 73 GLN N N 108 123.720 123.720 117.276 6.444 17578 6065 1 11 . 1 1 73 73 GLN HA H 108 4.013 4.013 4.078 -0.065 17578 6066 1 11 . 1 1 73 73 GLN CA C 108 58.621 58.621 58.683 -0.062 17578 6067 1 11 . 1 1 73 73 GLN CB C 108 28.331 28.331 27.777 0.554 17578 6068 1 11 . 1 1 73 73 GLN H H 108 8.543 8.543 8.408 0.135 17578 6069 1 11 . 1 1 74 74 ASP N N 109 121.068 121.068 121.066 0.002 17578 6070 1 11 . 1 1 74 74 ASP HA H 109 4.353 4.353 4.349 0.004 17578 6071 1 11 . 1 1 74 74 ASP CA C 109 56.941 56.941 57.120 -0.179 17578 6072 1 11 . 1 1 74 74 ASP CB C 109 40.403 40.403 40.337 0.066 17578 6073 1 11 . 1 1 74 74 ASP H H 109 7.998 7.998 8.500 -0.502 17578 6074 1 11 . 1 1 75 75 LEU N N 110 120.670 120.670 120.623 0.047 17578 6075 1 11 . 1 1 75 75 LEU HA H 110 3.967 3.967 4.216 -0.249 17578 6076 1 11 . 1 1 75 75 LEU C C 110 178.753 178.753 179.203 -0.450 17578 6077 1 11 . 1 1 75 75 LEU CA C 110 57.080 57.080 57.166 -0.086 17578 6078 1 11 . 1 1 75 75 LEU CB C 110 41.235 41.235 41.823 -0.588 17578 6079 1 11 . 1 1 75 75 LEU H H 110 7.999 7.999 7.408 0.591 17578 6080 1 11 . 1 1 76 76 GLY N N 111 105.512 105.512 107.398 -1.886 17578 6081 1 11 . 1 1 76 76 GLY C C 111 175.517 175.517 175.476 0.041 17578 6082 1 11 . 1 1 76 76 GLY CA C 111 46.745 46.745 47.354 -0.609 17578 6083 1 11 . 1 1 76 76 GLY H H 111 8.012 8.012 8.453 -0.441 17578 6084 1 11 . 1 1 77 77 ALA N N 112 122.891 122.891 123.838 -0.947 17578 6085 1 11 . 1 1 77 77 ALA HA H 112 4.180 4.180 4.360 -0.180 17578 6086 1 11 . 1 1 77 77 ALA CA C 112 53.652 53.652 53.872 -0.220 17578 6087 1 11 . 1 1 77 77 ALA CB C 112 18.482 18.482 18.547 -0.066 17578 6088 1 11 . 1 1 77 77 ALA H H 112 7.785 7.785 7.976 -0.191 17578 6089 1 11 . 1 1 78 78 ALA N N 113 121.205 121.205 120.063 1.142 17578 6090 1 11 . 1 1 78 78 ALA HA H 113 4.213 4.213 4.122 0.091 17578 6091 1 11 . 1 1 78 78 ALA CA C 113 53.503 53.503 54.260 -0.757 17578 6092 1 11 . 1 1 78 78 ALA CB C 113 18.897 18.897 19.061 -0.164 17578 6093 1 11 . 1 1 78 78 ALA H H 113 7.787 7.787 7.937 -0.150 17578 6094 1 11 . 1 1 79 79 GLY N N 114 104.082 104.082 104.428 -0.346 17578 6095 1 11 . 1 1 79 79 GLY CA C 114 44.764 44.764 45.018 -0.254 17578 6096 1 11 . 1 1 79 79 GLY H H 114 7.756 7.756 8.162 -0.406 17578 6097 1 11 . 1 1 80 80 ALA HA H 115 4.061 4.061 4.464 -0.403 17578 6098 1 11 . 1 1 80 80 ALA CA C 115 53.192 53.192 51.851 1.341 17578 6099 1 11 . 1 1 80 80 ALA CB C 115 19.493 19.493 19.840 -0.347 17578 6100 1 11 . 1 1 81 81 THR N N 116 116.258 116.258 115.311 0.947 17578 6101 1 11 . 1 1 81 81 THR CA C 116 57.223 57.223 62.520 -5.297 17578 6102 1 11 . 1 1 81 81 THR CB C 116 64.784 64.784 69.112 -4.329 17578 6103 1 11 . 1 1 81 81 THR H H 116 8.121 8.121 8.270 -0.149 17578 6104 1 11 . 1 1 83 83 ARG N N 118 122.269 122.269 118.748 3.521 17578 6105 1 11 . 1 1 83 83 ARG H H 118 8.128 8.128 8.392 -0.264 17578 6106 1 11 . 1 1 85 85 THR N N 120 120.171 120.171 117.725 2.446 17578 6107 1 11 . 1 1 85 85 THR C C 120 172.729 172.729 173.835 -1.106 17578 6108 1 11 . 1 1 85 85 THR H H 120 8.127 8.127 8.118 0.009 17578 6109 1 11 . 1 1 86 86 SER N N 121 115.808 115.808 115.021 0.787 17578 6110 1 11 . 1 1 86 86 SER HA H 121 4.280 4.280 4.544 -0.264 17578 6111 1 11 . 1 1 86 86 SER CA C 121 59.573 59.573 58.948 0.625 17578 6112 1 11 . 1 1 86 86 SER CB C 121 64.384 64.384 63.197 1.187 17578 6113 1 11 . 1 1 86 86 SER H H 121 7.045 7.045 8.067 -1.022 17578 6114 1 11 . 1 1 87 87 VAL N N 122 115.790 115.790 119.855 -4.065 17578 6115 1 11 . 1 1 87 87 VAL HA H 122 5.203 5.203 4.545 0.658 17578 6116 1 11 . 1 1 87 87 VAL CA C 122 59.412 59.412 60.672 -1.260 17578 6117 1 11 . 1 1 87 87 VAL CB C 122 32.729 32.729 32.339 0.390 17578 6118 1 11 . 1 1 87 87 VAL H H 122 7.082 7.082 7.679 -0.597 17578 6119 1 11 . 1 1 88 88 VAL N N 123 119.313 119.313 127.370 -8.057 17578 6120 1 11 . 1 1 88 88 VAL HA H 123 5.097 5.097 5.123 -0.026 17578 6121 1 11 . 1 1 88 88 VAL C C 123 172.990 172.990 173.726 -0.736 17578 6122 1 11 . 1 1 88 88 VAL CA C 123 58.925 58.925 60.161 -1.236 17578 6123 1 11 . 1 1 88 88 VAL CB C 123 35.929 35.929 34.988 0.941 17578 6124 1 11 . 1 1 88 88 VAL H H 123 8.948 8.948 8.401 0.547 17578 6125 1 11 . 1 1 89 89 PHE N N 124 122.616 122.616 128.225 -5.609 17578 6126 1 11 . 1 1 89 89 PHE HA H 124 5.641 5.641 5.570 0.071 17578 6127 1 11 . 1 1 89 89 PHE C C 124 174.686 174.686 173.562 1.124 17578 6128 1 11 . 1 1 89 89 PHE CA C 124 52.579 52.579 54.370 -1.791 17578 6129 1 11 . 1 1 89 89 PHE CB C 124 42.392 42.392 42.135 0.257 17578 6130 1 11 . 1 1 89 89 PHE H H 124 9.065 9.065 9.113 -0.048 17578 6131 1 11 . 1 1 90 90 ILE N N 125 127.599 127.599 124.143 3.456 17578 6132 1 11 . 1 1 90 90 ILE HA H 125 4.268 4.268 4.035 0.233 17578 6133 1 11 . 1 1 90 90 ILE C C 125 173.652 173.652 175.239 -1.587 17578 6134 1 11 . 1 1 90 90 ILE CA C 125 61.605 61.605 60.694 0.911 17578 6135 1 11 . 1 1 90 90 ILE CB C 125 39.533 39.533 38.284 1.249 17578 6136 1 11 . 1 1 90 90 ILE H H 125 9.498 9.498 9.133 0.365 17578 6137 1 11 . 1 1 91 91 VAL N N 126 126.693 126.693 125.345 1.348 17578 6138 1 11 . 1 1 91 91 VAL HA H 126 4.595 4.595 4.657 -0.062 17578 6139 1 11 . 1 1 91 91 VAL CA C 126 58.380 58.380 58.925 -0.545 17578 6140 1 11 . 1 1 91 91 VAL CB C 126 32.597 32.597 32.750 -0.153 17578 6141 1 11 . 1 1 91 91 VAL H H 126 8.169 8.169 8.601 -0.432 17578 6142 1 11 . 1 1 92 92 PRO HA H 127 4.044 4.044 4.351 -0.307 17578 6143 1 11 . 1 1 92 92 PRO CA C 127 63.380 63.380 62.720 0.660 17578 6144 1 11 . 1 1 92 92 PRO CB C 127 31.735 31.735 29.889 1.846 17578 6145 1 11 . 1 1 93 93 GLY N N 128 108.589 108.589 112.721 -4.132 17578 6146 1 11 . 1 1 93 93 GLY CA C 128 45.443 45.443 45.999 -0.556 17578 6147 1 11 . 1 1 93 93 GLY H H 128 8.022 8.022 8.575 -0.553 17578 6148 1 11 . 1 1 94 94 SER N N 129 113.115 113.115 118.656 -5.541 17578 6149 1 11 . 1 1 94 94 SER H H 129 7.992 7.992 8.004 -0.012 17578 6150 1 11 . 1 1 95 95 ASN N N 130 120.738 120.738 122.016 -1.278 17578 6151 1 11 . 1 1 95 95 ASN C C 130 178.419 178.419 176.996 1.423 17578 6152 1 11 . 1 1 95 95 ASN CA C 130 57.337 57.337 56.259 1.078 17578 6153 1 11 . 1 1 95 95 ASN CB C 130 41.958 41.958 38.199 3.759 17578 6154 1 11 . 1 1 95 95 ASN H H 130 8.313 8.313 9.011 -0.698 17578 6155 1 11 . 1 1 96 96 LYS N N 131 119.159 119.159 119.622 -0.463 17578 6156 1 11 . 1 1 96 96 LYS HA H 131 4.021 4.021 4.217 -0.196 17578 6157 1 11 . 1 1 96 96 LYS CA C 131 58.749 58.749 57.767 0.982 17578 6158 1 11 . 1 1 96 96 LYS CB C 131 29.565 29.565 32.435 -2.870 17578 6159 1 11 . 1 1 96 96 LYS H H 131 7.881 7.881 7.692 0.189 17578 6160 1 11 . 1 1 97 97 LYS N N 132 117.399 117.399 120.242 -2.843 17578 6161 1 11 . 1 1 97 97 LYS CA C 132 58.413 58.413 58.814 -0.401 17578 6162 1 11 . 1 1 97 97 LYS CB C 132 30.694 30.694 32.162 -1.468 17578 6163 1 11 . 1 1 97 97 LYS H H 132 7.765 7.765 7.976 -0.211 17578 6164 1 11 . 1 1 98 98 LYS N N 133 119.160 119.160 116.320 2.840 17578 6165 1 11 . 1 1 98 98 LYS CA C 133 58.266 58.266 58.565 -0.299 17578 6166 1 11 . 1 1 98 98 LYS CB C 133 30.981 30.981 32.089 -1.108 17578 6167 1 11 . 1 1 98 98 LYS H H 133 8.070 8.070 7.644 0.426 17578 6168 1 11 . 1 1 99 99 ASP N N 134 120.602 120.602 117.183 3.419 17578 6169 1 11 . 1 1 99 99 ASP CA C 134 55.586 55.586 53.478 2.108 17578 6170 1 11 . 1 1 99 99 ASP CB C 134 41.898 41.898 40.341 1.557 17578 6171 1 11 . 1 1 99 99 ASP H H 134 8.255 8.255 7.826 0.429 17578 6172 1 11 . 1 1 100 100 GLY N N 135 108.785 108.785 109.512 -0.727 17578 6173 1 11 . 1 1 100 100 GLY CA C 135 45.536 45.536 45.050 0.486 17578 6174 1 11 . 1 1 100 100 GLY H H 135 8.451 8.451 8.071 0.380 17578 6175 1 11 . 1 1 101 101 LYS N N 136 120.171 120.171 121.710 -1.539 17578 6176 1 11 . 1 1 101 101 LYS H H 136 8.127 8.127 8.152 -0.025 17578 6177 1 11 . 1 1 102 102 ASN N N 137 118.588 118.588 122.128 -3.540 17578 6178 1 11 . 1 1 102 102 ASN H H 137 8.481 8.481 8.928 -0.447 17578 6179 1 11 . 1 1 103 103 LYS N N 138 121.739 121.739 120.430 1.309 17578 6180 1 11 . 1 1 103 103 LYS HA H 138 4.241 4.241 4.097 0.144 17578 6181 1 11 . 1 1 103 103 LYS CA C 138 56.760 56.760 57.527 -0.767 17578 6182 1 11 . 1 1 103 103 LYS CB C 138 32.691 32.691 31.489 1.202 17578 6183 1 11 . 1 1 103 103 LYS H H 138 8.318 8.318 8.201 0.117 17578 6184 1 11 . 1 1 104 104 GLU N N 139 120.980 120.980 119.224 1.756 17578 6185 1 11 . 1 1 104 104 GLU CA C 139 57.235 57.235 59.629 -2.394 17578 6186 1 11 . 1 1 104 104 GLU CB C 139 29.893 29.893 29.448 0.445 17578 6187 1 11 . 1 1 104 104 GLU H H 139 8.478 8.478 7.819 0.659 17578 6188 1 11 . 1 1 107 107 TYR N N 142 119.214 119.214 121.623 -2.409 17578 6189 1 11 . 1 1 107 107 TYR HA H 142 5.023 5.023 3.810 1.213 17578 6190 1 11 . 1 1 107 107 TYR C C 142 175.419 175.419 177.125 -1.706 17578 6191 1 11 . 1 1 107 107 TYR CA C 142 57.200 57.200 61.787 -4.587 17578 6192 1 11 . 1 1 107 107 TYR CB C 142 39.165 39.165 38.107 1.058 17578 6193 1 11 . 1 1 107 107 TYR H H 142 7.992 7.992 8.465 -0.473 17578 6194 1 11 . 1 1 108 108 LYS N N 143 123.500 123.500 118.531 4.969 17578 6195 1 11 . 1 1 108 108 LYS HA H 143 3.628 3.628 3.613 0.015 17578 6196 1 11 . 1 1 108 108 LYS CA C 143 59.619 59.619 59.292 0.327 17578 6197 1 11 . 1 1 108 108 LYS CB C 143 31.869 31.869 32.171 -0.302 17578 6198 1 11 . 1 1 108 108 LYS H H 143 7.377 7.377 8.114 -0.737 17578 6199 1 11 . 1 1 109 109 GLU N N 144 118.669 118.669 120.476 -1.807 17578 6200 1 11 . 1 1 109 109 GLU HA H 144 4.735 4.735 4.004 0.731 17578 6201 1 11 . 1 1 109 109 GLU CA C 144 59.865 59.865 59.289 0.576 17578 6202 1 11 . 1 1 109 109 GLU CB C 144 29.004 29.004 29.042 -0.038 17578 6203 1 11 . 1 1 109 109 GLU H H 144 8.583 8.583 8.070 0.513 17578 6204 1 11 . 1 1 110 110 SER N N 145 116.081 116.081 116.084 -0.003 17578 6205 1 11 . 1 1 110 110 SER HA H 145 4.448 4.448 4.294 0.154 17578 6206 1 11 . 1 1 110 110 SER CB C 145 64.178 64.178 62.919 1.258 17578 6207 1 11 . 1 1 110 110 SER H H 145 8.117 8.117 8.030 0.087 17578 6208 1 11 . 1 1 111 111 PHE N N 146 122.134 122.134 122.378 -0.244 17578 6209 1 11 . 1 1 111 111 PHE HA H 146 4.022 4.022 4.139 -0.117 17578 6210 1 11 . 1 1 111 111 PHE C C 146 175.751 175.751 177.379 -1.628 17578 6211 1 11 . 1 1 111 111 PHE CA C 146 62.159 62.159 59.666 2.493 17578 6212 1 11 . 1 1 111 111 PHE CB C 146 39.533 39.533 37.820 1.713 17578 6213 1 11 . 1 1 111 111 PHE H H 146 8.553 8.553 8.284 0.269 17578 6214 1 11 . 1 1 112 112 ASN N N 147 117.856 117.856 117.498 0.358 17578 6215 1 11 . 1 1 112 112 ASN HA H 147 4.269 4.269 4.290 -0.021 17578 6216 1 11 . 1 1 112 112 ASN CA C 147 55.881 55.881 56.782 -0.901 17578 6217 1 11 . 1 1 112 112 ASN CB C 147 37.663 37.663 38.496 -0.833 17578 6218 1 11 . 1 1 112 112 ASN H H 147 8.809 8.809 8.520 0.289 17578 6219 1 11 . 1 1 113 113 GLU N N 148 119.708 119.708 120.577 -0.869 17578 6220 1 11 . 1 1 113 113 GLU HA H 148 4.021 4.021 4.080 -0.059 17578 6221 1 11 . 1 1 113 113 GLU CA C 148 59.385 59.385 59.041 0.344 17578 6222 1 11 . 1 1 113 113 GLU CB C 148 29.784 29.784 29.319 0.465 17578 6223 1 11 . 1 1 113 113 GLU H H 148 7.778 7.778 7.868 -0.090 17578 6224 1 11 . 1 1 114 114 VAL N N 149 119.680 119.680 119.032 0.648 17578 6225 1 11 . 1 1 114 114 VAL HA H 149 3.556 3.556 3.674 -0.118 17578 6226 1 11 . 1 1 114 114 VAL CA C 149 66.625 66.625 67.291 -0.666 17578 6227 1 11 . 1 1 114 114 VAL CB C 149 31.368 31.368 31.694 -0.326 17578 6228 1 11 . 1 1 114 114 VAL H H 149 8.023 8.023 8.151 -0.128 17578 6229 1 11 . 1 1 115 115 VAL N N 150 119.684 119.684 116.372 3.312 17578 6230 1 11 . 1 1 115 115 VAL HA H 150 3.163 3.163 3.800 -0.637 17578 6231 1 11 . 1 1 115 115 VAL C C 150 177.270 177.270 178.257 -0.987 17578 6232 1 11 . 1 1 115 115 VAL CA C 150 67.984 67.984 66.028 1.956 17578 6233 1 11 . 1 1 115 115 VAL CB C 150 30.848 30.848 31.338 -0.490 17578 6234 1 11 . 1 1 115 115 VAL H H 150 8.480 8.480 8.629 -0.149 17578 6235 1 11 . 1 1 116 116 LYS N N 151 118.648 118.648 120.042 -1.394 17578 6236 1 11 . 1 1 116 116 LYS HA H 151 4.027 4.027 4.015 0.012 17578 6237 1 11 . 1 1 116 116 LYS CA C 151 59.691 59.691 59.105 0.586 17578 6238 1 11 . 1 1 116 116 LYS CB C 151 32.346 32.346 31.739 0.607 17578 6239 1 11 . 1 1 116 116 LYS H H 151 7.584 7.584 7.863 -0.279 17578 6240 1 11 . 1 1 117 117 GLU N N 152 120.177 120.177 120.226 -0.049 17578 6241 1 11 . 1 1 117 117 GLU HA H 152 4.046 4.046 4.022 0.024 17578 6242 1 11 . 1 1 117 117 GLU CA C 152 59.932 59.932 59.700 0.232 17578 6243 1 11 . 1 1 117 117 GLU CB C 152 29.663 29.663 29.704 -0.041 17578 6244 1 11 . 1 1 117 117 GLU H H 152 7.528 7.528 7.898 -0.370 17578 6245 1 11 . 1 1 118 118 VAL N N 153 120.413 120.413 119.759 0.654 17578 6246 1 11 . 1 1 118 118 VAL HA H 153 3.421 3.421 3.813 -0.392 17578 6247 1 11 . 1 1 118 118 VAL CA C 153 67.196 67.196 65.286 1.910 17578 6248 1 11 . 1 1 118 118 VAL CB C 153 31.600 31.600 31.831 -0.230 17578 6249 1 11 . 1 1 118 118 VAL H H 153 8.665 8.665 7.854 0.811 17578 6250 1 11 . 1 1 119 119 GLN N N 154 118.232 118.232 119.662 -1.430 17578 6251 1 11 . 1 1 119 119 GLN HA H 154 3.982 3.982 4.109 -0.127 17578 6252 1 11 . 1 1 119 119 GLN CA C 154 59.651 59.651 58.296 1.355 17578 6253 1 11 . 1 1 119 119 GLN CB C 154 28.478 28.478 28.892 -0.414 17578 6254 1 11 . 1 1 119 119 GLN H H 154 8.950 8.950 7.924 1.026 17578 6255 1 11 . 1 1 120 120 ALA N N 155 120.568 120.568 121.450 -0.882 17578 6256 1 11 . 1 1 120 120 ALA HA H 155 4.223 4.223 4.248 -0.025 17578 6257 1 11 . 1 1 120 120 ALA CA C 155 55.071 55.071 53.113 1.958 17578 6258 1 11 . 1 1 120 120 ALA CB C 155 17.952 17.952 19.440 -1.488 17578 6259 1 11 . 1 1 120 120 ALA H H 155 7.486 7.486 7.939 -0.453 17578 6260 1 12 . 1 1 2 2 LYS N N 37 124.035 124.035 122.606 1.429 17578 6261 1 12 . 1 1 2 2 LYS HA H 37 4.064 4.064 4.149 -0.085 17578 6262 1 12 . 1 1 2 2 LYS H H 37 7.786 7.786 8.426 -0.640 17578 6263 1 12 . 1 1 3 3 LYS HA H 38 4.026 4.026 4.145 -0.119 17578 6264 1 12 . 1 1 3 3 LYS C C 38 179.176 179.176 178.450 0.726 17578 6265 1 12 . 1 1 3 3 LYS CA C 38 59.781 59.781 58.338 1.443 17578 6266 1 12 . 1 1 3 3 LYS CB C 38 32.626 32.626 32.326 0.300 17578 6267 1 12 . 1 1 4 4 LEU N N 39 122.003 122.003 120.095 1.908 17578 6268 1 12 . 1 1 4 4 LEU HA H 39 4.159 4.159 3.963 0.196 17578 6269 1 12 . 1 1 4 4 LEU C C 39 178.232 178.232 178.066 0.166 17578 6270 1 12 . 1 1 4 4 LEU CA C 39 57.470 57.470 58.313 -0.843 17578 6271 1 12 . 1 1 4 4 LEU CB C 39 40.343 40.343 41.478 -1.135 17578 6272 1 12 . 1 1 4 4 LEU H H 39 7.877 7.877 8.063 -0.186 17578 6273 1 12 . 1 1 5 5 ASN N N 40 118.692 118.692 116.283 2.409 17578 6274 1 12 . 1 1 5 5 ASN HA H 40 3.997 3.997 4.377 -0.380 17578 6275 1 12 . 1 1 5 5 ASN C C 40 176.054 176.054 177.453 -1.399 17578 6276 1 12 . 1 1 5 5 ASN CA C 40 57.622 57.622 56.071 1.551 17578 6277 1 12 . 1 1 5 5 ASN CB C 40 40.113 40.113 37.922 2.192 17578 6278 1 12 . 1 1 5 5 ASN H H 40 9.313 9.313 8.036 1.277 17578 6279 1 12 . 1 1 6 6 LYS N N 41 115.497 115.497 120.153 -4.656 17578 6280 1 12 . 1 1 6 6 LYS HA H 41 3.928 3.928 4.009 -0.081 17578 6281 1 12 . 1 1 6 6 LYS C C 41 179.133 179.133 178.854 0.279 17578 6282 1 12 . 1 1 6 6 LYS CA C 41 59.909 59.909 59.115 0.794 17578 6283 1 12 . 1 1 6 6 LYS CB C 41 32.256 32.256 31.932 0.324 17578 6284 1 12 . 1 1 6 6 LYS H H 41 7.230 7.230 7.341 -0.111 17578 6285 1 12 . 1 1 7 7 LYS N N 42 118.961 118.961 120.194 -1.233 17578 6286 1 12 . 1 1 7 7 LYS HA H 42 4.040 4.040 4.047 -0.007 17578 6287 1 12 . 1 1 7 7 LYS C C 42 180.272 180.272 179.208 1.064 17578 6288 1 12 . 1 1 7 7 LYS CA C 42 59.988 59.988 58.951 1.037 17578 6289 1 12 . 1 1 7 7 LYS CB C 42 33.462 33.462 31.876 1.586 17578 6290 1 12 . 1 1 7 7 LYS H H 42 7.367 7.367 8.393 -1.026 17578 6291 1 12 . 1 1 8 8 VAL N N 43 122.400 122.400 119.305 3.095 17578 6292 1 12 . 1 1 8 8 VAL HA H 43 3.303 3.303 4.083 -0.780 17578 6293 1 12 . 1 1 8 8 VAL CA C 43 67.430 67.430 66.227 1.203 17578 6294 1 12 . 1 1 8 8 VAL CB C 43 31.374 31.374 31.352 0.023 17578 6295 1 12 . 1 1 8 8 VAL H H 43 9.215 9.215 8.203 1.012 17578 6296 1 12 . 1 1 9 9 LEU N N 44 119.626 119.626 121.360 -1.734 17578 6297 1 12 . 1 1 9 9 LEU HA H 44 3.833 3.833 3.960 -0.127 17578 6298 1 12 . 1 1 9 9 LEU CA C 44 58.453 58.453 58.601 -0.148 17578 6299 1 12 . 1 1 9 9 LEU CB C 44 41.171 41.171 41.524 -0.353 17578 6300 1 12 . 1 1 9 9 LEU H H 44 8.471 8.471 8.103 0.368 17578 6301 1 12 . 1 1 10 10 LYS N N 45 119.761 119.761 118.159 1.602 17578 6302 1 12 . 1 1 10 10 LYS HA H 45 4.026 4.026 4.016 0.010 17578 6303 1 12 . 1 1 10 10 LYS CA C 45 59.919 59.919 58.882 1.037 17578 6304 1 12 . 1 1 10 10 LYS CB C 45 32.430 32.430 31.407 1.023 17578 6305 1 12 . 1 1 10 10 LYS H H 45 7.883 7.883 8.295 -0.412 17578 6306 1 12 . 1 1 11 11 THR N N 46 116.469 116.469 116.896 -0.427 17578 6307 1 12 . 1 1 11 11 THR HA H 46 4.339 4.339 3.573 0.766 17578 6308 1 12 . 1 1 11 11 THR C C 46 175.987 175.987 176.019 -0.032 17578 6309 1 12 . 1 1 11 11 THR CB C 46 68.013 68.013 68.130 -0.117 17578 6310 1 12 . 1 1 11 11 THR H H 46 7.805 7.805 8.052 -0.247 17578 6311 1 12 . 1 1 12 12 VAL N N 47 121.907 121.907 121.693 0.214 17578 6312 1 12 . 1 1 12 12 VAL HA H 47 3.232 3.232 3.895 -0.663 17578 6313 1 12 . 1 1 12 12 VAL CA C 47 67.331 67.331 65.417 1.914 17578 6314 1 12 . 1 1 12 12 VAL CB C 47 31.438 31.438 31.450 -0.012 17578 6315 1 12 . 1 1 12 12 VAL H H 47 8.782 8.782 8.616 0.166 17578 6316 1 12 . 1 1 13 13 LYS N N 48 122.393 122.393 119.278 3.115 17578 6317 1 12 . 1 1 13 13 LYS HA H 48 4.258 4.258 3.924 0.334 17578 6318 1 12 . 1 1 13 13 LYS C C 48 179.808 179.808 178.968 0.840 17578 6319 1 12 . 1 1 13 13 LYS CA C 48 59.999 59.999 59.591 0.408 17578 6320 1 12 . 1 1 13 13 LYS CB C 48 32.553 32.553 32.132 0.421 17578 6321 1 12 . 1 1 13 13 LYS H H 48 8.171 8.171 7.900 0.271 17578 6322 1 12 . 1 1 14 14 LYS N N 49 118.852 118.852 118.171 0.681 17578 6323 1 12 . 1 1 14 14 LYS HA H 49 3.973 3.973 4.084 -0.111 17578 6324 1 12 . 1 1 14 14 LYS CA C 49 59.811 59.811 58.382 1.429 17578 6325 1 12 . 1 1 14 14 LYS CB C 49 33.389 33.389 32.116 1.273 17578 6326 1 12 . 1 1 14 14 LYS H H 49 7.941 7.941 7.540 0.401 17578 6327 1 12 . 1 1 15 15 ALA N N 50 122.047 122.047 122.216 -0.169 17578 6328 1 12 . 1 1 15 15 ALA HA H 50 3.496 3.496 4.206 -0.710 17578 6329 1 12 . 1 1 15 15 ALA CA C 50 54.709 54.709 54.799 -0.090 17578 6330 1 12 . 1 1 15 15 ALA CB C 50 18.917 18.917 17.877 1.040 17578 6331 1 12 . 1 1 15 15 ALA H H 50 8.544 8.544 7.850 0.694 17578 6332 1 12 . 1 1 16 16 SER N N 51 116.561 116.561 115.297 1.264 17578 6333 1 12 . 1 1 16 16 SER HA H 51 4.730 4.730 4.084 0.646 17578 6334 1 12 . 1 1 16 16 SER C C 51 178.560 178.560 176.636 1.924 17578 6335 1 12 . 1 1 16 16 SER CA C 51 61.680 61.680 61.753 -0.073 17578 6336 1 12 . 1 1 16 16 SER CB C 51 62.551 62.551 62.787 -0.236 17578 6337 1 12 . 1 1 16 16 SER H H 51 8.551 8.551 8.241 0.310 17578 6338 1 12 . 1 1 17 17 LYS N N 52 124.890 124.890 121.998 2.892 17578 6339 1 12 . 1 1 17 17 LYS HA H 52 4.072 4.072 4.140 -0.068 17578 6340 1 12 . 1 1 17 17 LYS C C 52 177.377 177.377 177.351 0.026 17578 6341 1 12 . 1 1 17 17 LYS CA C 52 58.931 58.931 58.202 0.729 17578 6342 1 12 . 1 1 17 17 LYS CB C 52 31.961 31.961 32.446 -0.484 17578 6343 1 12 . 1 1 17 17 LYS H H 52 7.578 7.578 7.626 -0.048 17578 6344 1 12 . 1 1 18 18 ALA N N 53 118.628 118.628 119.447 -0.819 17578 6345 1 12 . 1 1 18 18 ALA HA H 53 4.285 4.285 4.434 -0.149 17578 6346 1 12 . 1 1 18 18 ALA C C 53 175.061 175.061 175.947 -0.886 17578 6347 1 12 . 1 1 18 18 ALA CA C 53 51.822 51.822 51.362 0.459 17578 6348 1 12 . 1 1 18 18 ALA CB C 53 19.390 19.390 19.006 0.383 17578 6349 1 12 . 1 1 18 18 ALA H H 53 7.112 7.112 7.621 -0.509 17578 6350 1 12 . 1 1 19 19 LYS N N 54 111.984 111.984 116.032 -4.048 17578 6351 1 12 . 1 1 19 19 LYS HA H 54 4.026 4.026 3.927 0.099 17578 6352 1 12 . 1 1 19 19 LYS CA C 54 57.222 57.222 57.627 -0.405 17578 6353 1 12 . 1 1 19 19 LYS CB C 54 28.387 28.387 29.352 -0.966 17578 6354 1 12 . 1 1 19 19 LYS H H 54 7.653 7.653 8.035 -0.382 17578 6355 1 12 . 1 1 20 20 ASN N N 55 116.088 116.088 114.109 1.979 17578 6356 1 12 . 1 1 20 20 ASN HA H 55 5.102 5.102 4.553 0.549 17578 6357 1 12 . 1 1 20 20 ASN C C 55 172.975 172.975 174.973 -1.998 17578 6358 1 12 . 1 1 20 20 ASN CA C 55 51.215 51.215 53.974 -2.759 17578 6359 1 12 . 1 1 20 20 ASN CB C 55 40.316 40.316 39.436 0.880 17578 6360 1 12 . 1 1 20 20 ASN H H 55 8.118 8.118 7.875 0.243 17578 6361 1 12 . 1 1 21 21 VAL N N 56 114.959 114.959 119.525 -4.566 17578 6362 1 12 . 1 1 21 21 VAL HA H 56 4.938 4.938 3.880 1.058 17578 6363 1 12 . 1 1 21 21 VAL C C 56 175.409 175.409 175.201 0.208 17578 6364 1 12 . 1 1 21 21 VAL CA C 56 60.901 60.901 61.602 -0.701 17578 6365 1 12 . 1 1 21 21 VAL CB C 56 35.368 35.368 33.605 1.763 17578 6366 1 12 . 1 1 21 21 VAL H H 56 7.628 7.628 7.638 -0.010 17578 6367 1 12 . 1 1 22 22 LYS N N 57 126.485 126.485 126.751 -0.266 17578 6368 1 12 . 1 1 22 22 LYS HA H 57 4.712 4.712 4.642 0.070 17578 6369 1 12 . 1 1 22 22 LYS C C 57 175.394 175.394 174.675 0.719 17578 6370 1 12 . 1 1 22 22 LYS CA C 57 54.485 54.485 53.743 0.742 17578 6371 1 12 . 1 1 22 22 LYS CB C 57 33.669 33.669 35.974 -2.305 17578 6372 1 12 . 1 1 22 22 LYS H H 57 8.987 8.987 8.594 0.393 17578 6373 1 12 . 1 1 23 23 ARG N N 58 122.011 122.011 120.467 1.544 17578 6374 1 12 . 1 1 23 23 ARG HA H 58 4.837 4.837 4.922 -0.085 17578 6375 1 12 . 1 1 23 23 ARG C C 58 175.930 175.930 175.317 0.613 17578 6376 1 12 . 1 1 23 23 ARG CA C 58 55.872 55.872 55.081 0.791 17578 6377 1 12 . 1 1 23 23 ARG CB C 58 33.513 33.513 32.639 0.874 17578 6378 1 12 . 1 1 23 23 ARG H H 58 9.024 9.024 9.019 0.005 17578 6379 1 12 . 1 1 24 24 GLY N N 59 111.007 111.007 111.961 -0.954 17578 6380 1 12 . 1 1 24 24 GLY CA C 59 44.790 44.790 44.531 0.259 17578 6381 1 12 . 1 1 24 24 GLY H H 59 8.315 8.315 8.982 -0.667 17578 6382 1 12 . 1 1 25 25 VAL N N 60 119.423 119.423 122.569 -3.146 17578 6383 1 12 . 1 1 25 25 VAL HA H 60 3.156 3.156 3.455 -0.299 17578 6384 1 12 . 1 1 25 25 VAL C C 60 176.562 176.562 176.912 -0.350 17578 6385 1 12 . 1 1 25 25 VAL CA C 60 68.037 68.037 65.785 2.252 17578 6386 1 12 . 1 1 25 25 VAL CB C 60 32.050 32.050 32.126 -0.076 17578 6387 1 12 . 1 1 25 25 VAL H H 60 8.152 8.152 8.547 -0.395 17578 6388 1 12 . 1 1 26 26 LYS N N 61 117.316 117.316 118.154 -0.838 17578 6389 1 12 . 1 1 26 26 LYS HA H 61 3.919 3.919 4.051 -0.132 17578 6390 1 12 . 1 1 26 26 LYS C C 61 180.130 180.130 178.718 1.412 17578 6391 1 12 . 1 1 26 26 LYS CA C 61 60.157 60.157 59.746 0.411 17578 6392 1 12 . 1 1 26 26 LYS CB C 61 32.041 32.041 31.960 0.081 17578 6393 1 12 . 1 1 26 26 LYS H H 61 8.156 8.156 8.584 -0.428 17578 6394 1 12 . 1 1 27 27 GLU N N 62 117.535 117.535 119.601 -2.066 17578 6395 1 12 . 1 1 27 27 GLU HA H 62 3.961 3.961 4.181 -0.220 17578 6396 1 12 . 1 1 27 27 GLU CA C 62 58.787 58.787 59.449 -0.662 17578 6397 1 12 . 1 1 27 27 GLU CB C 62 29.843 29.843 29.789 0.054 17578 6398 1 12 . 1 1 27 27 GLU H H 62 8.531 8.531 7.518 1.013 17578 6399 1 12 . 1 1 28 28 VAL N N 63 120.589 120.589 116.983 3.606 17578 6400 1 12 . 1 1 28 28 VAL HA H 63 3.498 3.498 2.834 0.664 17578 6401 1 12 . 1 1 28 28 VAL CA C 63 68.099 68.099 66.037 2.062 17578 6402 1 12 . 1 1 28 28 VAL CB C 63 31.376 31.376 31.062 0.314 17578 6403 1 12 . 1 1 28 28 VAL H H 63 8.255 8.255 8.023 0.232 17578 6404 1 12 . 1 1 29 29 VAL N N 64 118.570 118.570 120.531 -1.961 17578 6405 1 12 . 1 1 29 29 VAL HA H 64 3.359 3.359 3.531 -0.172 17578 6406 1 12 . 1 1 29 29 VAL C C 64 177.549 177.549 177.817 -0.268 17578 6407 1 12 . 1 1 29 29 VAL CA C 64 67.456 67.456 66.645 0.811 17578 6408 1 12 . 1 1 29 29 VAL CB C 64 31.233 31.233 31.336 -0.103 17578 6409 1 12 . 1 1 29 29 VAL H H 64 8.535 8.535 8.031 0.504 17578 6410 1 12 . 1 1 30 30 LYS N N 65 117.926 117.926 120.091 -2.165 17578 6411 1 12 . 1 1 30 30 LYS HA H 65 3.875 3.875 3.867 0.008 17578 6412 1 12 . 1 1 30 30 LYS CA C 65 59.811 59.811 59.956 -0.145 17578 6413 1 12 . 1 1 30 30 LYS CB C 65 32.715 32.715 32.245 0.470 17578 6414 1 12 . 1 1 30 30 LYS H H 65 7.538 7.538 7.852 -0.314 17578 6415 1 12 . 1 1 31 31 ALA N N 66 120.475 120.475 121.148 -0.673 17578 6416 1 12 . 1 1 31 31 ALA HA H 66 4.071 4.071 4.169 -0.098 17578 6417 1 12 . 1 1 31 31 ALA C C 66 179.596 179.596 179.300 0.296 17578 6418 1 12 . 1 1 31 31 ALA CA C 66 55.051 55.051 54.708 0.343 17578 6419 1 12 . 1 1 31 31 ALA CB C 66 18.901 18.901 18.154 0.747 17578 6420 1 12 . 1 1 31 31 ALA H H 66 7.496 7.496 7.870 -0.374 17578 6421 1 12 . 1 1 32 32 LEU N N 67 119.357 119.357 119.631 -0.274 17578 6422 1 12 . 1 1 32 32 LEU HA H 67 3.854 3.854 3.677 0.177 17578 6423 1 12 . 1 1 32 32 LEU CA C 67 57.859 57.859 57.385 0.474 17578 6424 1 12 . 1 1 32 32 LEU CB C 67 42.442 42.442 41.914 0.528 17578 6425 1 12 . 1 1 32 32 LEU H H 67 8.376 8.376 7.617 0.759 17578 6426 1 12 . 1 1 33 33 ARG N N 68 116.045 116.045 117.309 -1.264 17578 6427 1 12 . 1 1 33 33 ARG HA H 68 3.802 3.802 4.035 -0.233 17578 6428 1 12 . 1 1 33 33 ARG CA C 68 59.306 59.306 57.258 2.048 17578 6429 1 12 . 1 1 33 33 ARG CB C 68 29.759 29.759 30.030 -0.271 17578 6430 1 12 . 1 1 33 33 ARG H H 68 8.091 8.091 7.883 0.208 17578 6431 1 12 . 1 1 34 34 LYS N N 69 117.845 117.845 117.662 0.183 17578 6432 1 12 . 1 1 34 34 LYS HA H 69 4.255 4.255 4.162 0.093 17578 6433 1 12 . 1 1 34 34 LYS C C 69 176.831 176.831 177.940 -1.109 17578 6434 1 12 . 1 1 34 34 LYS CA C 69 56.548 56.548 57.668 -1.120 17578 6435 1 12 . 1 1 34 34 LYS CB C 69 32.710 32.710 33.223 -0.513 17578 6436 1 12 . 1 1 34 34 LYS H H 69 7.616 7.616 7.717 -0.101 17578 6437 1 12 . 1 1 35 35 GLY N N 70 106.783 106.783 105.616 1.167 17578 6438 1 12 . 1 1 35 35 GLY CA C 70 45.537 45.537 45.078 0.459 17578 6439 1 12 . 1 1 35 35 GLY H H 70 7.739 7.739 8.382 -0.643 17578 6440 1 12 . 1 1 36 36 GLU N N 71 119.424 119.424 119.152 0.272 17578 6441 1 12 . 1 1 36 36 GLU HA H 71 4.226 4.226 4.283 -0.057 17578 6442 1 12 . 1 1 36 36 GLU C C 71 175.400 175.400 176.105 -0.705 17578 6443 1 12 . 1 1 36 36 GLU CA C 71 57.414 57.414 56.195 1.219 17578 6444 1 12 . 1 1 36 36 GLU CB C 71 29.442 29.442 29.398 0.044 17578 6445 1 12 . 1 1 36 36 GLU H H 71 7.698 7.698 8.460 -0.762 17578 6446 1 12 . 1 1 37 37 LYS N N 72 118.290 118.290 121.610 -3.320 17578 6447 1 12 . 1 1 37 37 LYS HA H 72 4.903 4.903 4.150 0.753 17578 6448 1 12 . 1 1 37 37 LYS C C 72 175.809 175.809 176.125 -0.316 17578 6449 1 12 . 1 1 37 37 LYS CA C 72 53.791 53.791 57.470 -3.679 17578 6450 1 12 . 1 1 37 37 LYS CB C 72 34.781 34.781 32.628 2.153 17578 6451 1 12 . 1 1 37 37 LYS H H 72 8.223 8.223 7.202 1.021 17578 6452 1 12 . 1 1 38 38 GLY N N 73 104.682 104.682 111.853 -7.171 17578 6453 1 12 . 1 1 38 38 GLY C C 73 171.884 171.884 173.908 -2.024 17578 6454 1 12 . 1 1 38 38 GLY CA C 73 46.360 46.360 45.081 1.279 17578 6455 1 12 . 1 1 38 38 GLY H H 73 7.217 7.217 8.332 -1.115 17578 6456 1 12 . 1 1 39 39 LEU N N 74 125.372 125.372 121.274 4.098 17578 6457 1 12 . 1 1 39 39 LEU HA H 74 4.994 4.994 4.757 0.237 17578 6458 1 12 . 1 1 39 39 LEU C C 74 174.380 174.380 175.643 -1.263 17578 6459 1 12 . 1 1 39 39 LEU CA C 74 54.363 54.363 53.385 0.978 17578 6460 1 12 . 1 1 39 39 LEU CB C 74 47.028 47.028 45.389 1.639 17578 6461 1 12 . 1 1 39 39 LEU H H 74 8.945 8.945 8.135 0.810 17578 6462 1 12 . 1 1 40 40 VAL N N 75 130.967 130.967 122.124 8.843 17578 6463 1 12 . 1 1 40 40 VAL HA H 75 4.644 4.644 4.330 0.314 17578 6464 1 12 . 1 1 40 40 VAL C C 75 173.667 173.667 174.520 -0.853 17578 6465 1 12 . 1 1 40 40 VAL CA C 75 62.273 62.273 61.899 0.374 17578 6466 1 12 . 1 1 40 40 VAL CB C 75 32.591 32.591 33.427 -0.836 17578 6467 1 12 . 1 1 40 40 VAL H H 75 8.551 8.551 8.444 0.107 17578 6468 1 12 . 1 1 41 41 VAL N N 76 127.493 127.493 126.677 0.816 17578 6469 1 12 . 1 1 41 41 VAL HA H 76 4.660 4.660 4.261 0.399 17578 6470 1 12 . 1 1 41 41 VAL C C 76 173.669 173.669 174.645 -0.976 17578 6471 1 12 . 1 1 41 41 VAL CA C 76 60.899 60.899 61.089 -0.190 17578 6472 1 12 . 1 1 41 41 VAL CB C 76 33.346 33.346 33.549 -0.203 17578 6473 1 12 . 1 1 41 41 VAL H H 76 8.804 8.804 8.993 -0.189 17578 6474 1 12 . 1 1 42 42 ILE N N 77 125.646 125.646 125.598 0.048 17578 6475 1 12 . 1 1 42 42 ILE HA H 77 4.444 4.444 4.532 -0.088 17578 6476 1 12 . 1 1 42 42 ILE C C 77 174.817 174.817 174.390 0.427 17578 6477 1 12 . 1 1 42 42 ILE CA C 77 59.700 59.700 57.845 1.855 17578 6478 1 12 . 1 1 42 42 ILE CB C 77 39.977 39.977 39.360 0.617 17578 6479 1 12 . 1 1 42 42 ILE H H 77 8.613 8.613 8.669 -0.056 17578 6480 1 12 . 1 1 43 43 ALA N N 78 128.691 128.691 128.537 0.154 17578 6481 1 12 . 1 1 43 43 ALA HA H 78 4.459 4.459 5.113 -0.654 17578 6482 1 12 . 1 1 43 43 ALA C C 78 177.584 177.584 178.015 -0.431 17578 6483 1 12 . 1 1 43 43 ALA CA C 78 52.372 52.372 50.086 2.286 17578 6484 1 12 . 1 1 43 43 ALA CB C 78 19.504 19.504 20.479 -0.975 17578 6485 1 12 . 1 1 43 43 ALA H H 78 8.565 8.565 7.862 0.703 17578 6486 1 12 . 1 1 44 44 GLY N N 79 103.957 103.957 108.377 -4.420 17578 6487 1 12 . 1 1 44 44 GLY C C 79 173.252 173.252 173.763 -0.511 17578 6488 1 12 . 1 1 44 44 GLY CA C 79 45.764 45.764 46.203 -0.439 17578 6489 1 12 . 1 1 44 44 GLY H H 79 9.083 9.083 8.912 0.171 17578 6490 1 12 . 1 1 45 45 ASP N N 80 118.632 118.632 119.143 -0.511 17578 6491 1 12 . 1 1 45 45 ASP HA H 80 4.918 4.918 4.728 0.190 17578 6492 1 12 . 1 1 45 45 ASP CA C 80 52.689 52.689 53.445 -0.756 17578 6493 1 12 . 1 1 45 45 ASP CB C 80 39.118 39.118 40.638 -1.520 17578 6494 1 12 . 1 1 45 45 ASP H H 80 8.695 8.695 7.993 0.702 17578 6495 1 12 . 1 1 46 46 ILE N N 81 117.935 117.935 118.896 -0.961 17578 6496 1 12 . 1 1 46 46 ILE HA H 81 4.179 4.179 3.846 0.333 17578 6497 1 12 . 1 1 46 46 ILE C C 81 172.890 172.890 173.783 -0.893 17578 6498 1 12 . 1 1 46 46 ILE CA C 81 59.242 59.242 59.494 -0.252 17578 6499 1 12 . 1 1 46 46 ILE CB C 81 39.253 39.253 41.511 -2.259 17578 6500 1 12 . 1 1 46 46 ILE H H 81 6.730 6.730 7.344 -0.614 17578 6501 1 12 . 1 1 47 47 TRP N N 82 123.585 123.585 122.118 1.467 17578 6502 1 12 . 1 1 47 47 TRP HA H 82 4.587 4.587 5.196 -0.609 17578 6503 1 12 . 1 1 47 47 TRP CA C 82 55.386 55.386 53.756 1.630 17578 6504 1 12 . 1 1 47 47 TRP CB C 82 32.147 32.147 28.912 3.235 17578 6505 1 12 . 1 1 47 47 TRP H H 82 7.804 7.804 7.884 -0.080 17578 6506 1 12 . 1 1 48 48 PRO HA H 83 4.248 4.248 4.579 -0.331 17578 6507 1 12 . 1 1 48 48 PRO CA C 83 62.712 62.712 62.452 0.260 17578 6508 1 12 . 1 1 48 48 PRO CB C 83 34.011 34.011 32.689 1.322 17578 6509 1 12 . 1 1 49 49 ALA N N 84 121.827 121.827 120.341 1.486 17578 6510 1 12 . 1 1 49 49 ALA HA H 84 3.969 3.969 4.300 -0.331 17578 6511 1 12 . 1 1 49 49 ALA CA C 84 54.183 54.183 52.855 1.328 17578 6512 1 12 . 1 1 49 49 ALA CB C 84 19.404 19.404 18.600 0.804 17578 6513 1 12 . 1 1 49 49 ALA H H 84 8.198 8.198 8.521 -0.323 17578 6514 1 12 . 1 1 50 50 ASP N N 85 114.049 114.049 120.095 -6.046 17578 6515 1 12 . 1 1 50 50 ASP HA H 85 4.301 4.301 4.410 -0.109 17578 6516 1 12 . 1 1 50 50 ASP C C 85 177.428 177.428 178.133 -0.705 17578 6517 1 12 . 1 1 50 50 ASP CA C 85 55.777 55.777 57.199 -1.422 17578 6518 1 12 . 1 1 50 50 ASP CB C 85 40.060 40.060 40.580 -0.520 17578 6519 1 12 . 1 1 50 50 ASP H H 85 8.008 8.008 8.701 -0.693 17578 6520 1 12 . 1 1 51 51 VAL N N 86 116.790 116.790 118.609 -1.819 17578 6521 1 12 . 1 1 51 51 VAL HA H 86 3.841 3.841 3.676 0.165 17578 6522 1 12 . 1 1 51 51 VAL C C 86 176.231 176.231 178.007 -1.776 17578 6523 1 12 . 1 1 51 51 VAL CA C 86 65.332 65.332 65.794 -0.462 17578 6524 1 12 . 1 1 51 51 VAL CB C 86 32.123 32.123 31.217 0.906 17578 6525 1 12 . 1 1 51 51 VAL H H 86 7.542 7.542 7.587 -0.045 17578 6526 1 12 . 1 1 52 52 ILE N N 87 107.529 107.529 119.992 -12.463 17578 6527 1 12 . 1 1 52 52 ILE HA H 87 4.638 4.638 3.743 0.895 17578 6528 1 12 . 1 1 52 52 ILE C C 87 178.026 178.026 177.819 0.207 17578 6529 1 12 . 1 1 52 52 ILE CA C 87 59.806 59.806 65.128 -5.322 17578 6530 1 12 . 1 1 52 52 ILE CB C 87 40.742 40.742 37.707 3.035 17578 6531 1 12 . 1 1 52 52 ILE H H 87 7.310 7.310 8.445 -1.135 17578 6532 1 12 . 1 1 53 53 SER N N 88 116.004 116.004 114.422 1.582 17578 6533 1 12 . 1 1 53 53 SER HA H 88 4.566 4.566 4.356 0.210 17578 6534 1 12 . 1 1 53 53 SER CA C 88 61.760 61.760 60.685 1.075 17578 6535 1 12 . 1 1 53 53 SER CB C 88 62.391 62.391 63.548 -1.157 17578 6536 1 12 . 1 1 53 53 SER H H 88 7.827 7.827 7.925 -0.098 17578 6537 1 12 . 1 1 54 54 HIS HA H 89 4.572 4.572 4.409 0.163 17578 6538 1 12 . 1 1 54 54 HIS CA C 89 56.789 56.789 59.336 -2.547 17578 6539 1 12 . 1 1 54 54 HIS CB C 89 30.527 30.527 29.862 0.665 17578 6540 1 12 . 1 1 55 55 ILE N N 90 120.579 120.579 121.055 -0.476 17578 6541 1 12 . 1 1 55 55 ILE HA H 90 3.512 3.512 3.829 -0.317 17578 6542 1 12 . 1 1 55 55 ILE CA C 90 65.424 65.424 67.133 -1.709 17578 6543 1 12 . 1 1 55 55 ILE CB C 90 34.176 34.176 36.049 -1.873 17578 6544 1 12 . 1 1 55 55 ILE H H 90 7.764 7.764 8.273 -0.509 17578 6545 1 12 . 1 1 56 56 PRO HA H 91 2.942 2.942 4.390 -1.448 17578 6546 1 12 . 1 1 56 56 PRO C C 91 177.032 177.032 178.784 -1.752 17578 6547 1 12 . 1 1 56 56 PRO CA C 91 66.842 66.842 65.784 1.058 17578 6548 1 12 . 1 1 56 56 PRO CB C 91 31.206 31.206 31.397 -0.191 17578 6549 1 12 . 1 1 57 57 VAL N N 92 114.379 114.379 119.346 -4.967 17578 6550 1 12 . 1 1 57 57 VAL HA H 92 3.574 3.574 3.806 -0.232 17578 6551 1 12 . 1 1 57 57 VAL CA C 92 65.900 65.900 65.417 0.483 17578 6552 1 12 . 1 1 57 57 VAL CB C 92 31.600 31.600 31.378 0.222 17578 6553 1 12 . 1 1 57 57 VAL H H 92 6.497 6.497 7.742 -1.245 17578 6554 1 12 . 1 1 58 58 LEU N N 93 120.522 120.522 119.528 0.994 17578 6555 1 12 . 1 1 58 58 LEU HA H 93 4.227 4.227 4.139 0.088 17578 6556 1 12 . 1 1 58 58 LEU C C 93 180.251 180.251 178.479 1.772 17578 6557 1 12 . 1 1 58 58 LEU CA C 93 57.838 57.838 58.099 -0.261 17578 6558 1 12 . 1 1 58 58 LEU CB C 93 43.172 43.172 41.288 1.885 17578 6559 1 12 . 1 1 58 58 LEU H H 93 7.460 7.460 7.645 -0.185 17578 6560 1 12 . 1 1 59 59 CYS N N 94 117.195 117.195 118.424 -1.229 17578 6561 1 12 . 1 1 59 59 CYS HA H 94 3.867 3.867 4.319 -0.452 17578 6562 1 12 . 1 1 59 59 CYS C C 94 176.362 176.362 176.782 -0.420 17578 6563 1 12 . 1 1 59 59 CYS CA C 94 65.379 65.379 63.164 2.215 17578 6564 1 12 . 1 1 59 59 CYS CB C 94 26.344 26.344 27.616 -1.272 17578 6565 1 12 . 1 1 59 59 CYS H H 94 8.335 8.335 8.079 0.256 17578 6566 1 12 . 1 1 60 60 GLU N N 95 120.777 120.777 119.285 1.492 17578 6567 1 12 . 1 1 60 60 GLU HA H 95 4.209 4.209 4.118 0.091 17578 6568 1 12 . 1 1 60 60 GLU CA C 95 59.760 59.760 58.654 1.106 17578 6569 1 12 . 1 1 60 60 GLU CB C 95 29.201 29.201 29.582 -0.381 17578 6570 1 12 . 1 1 60 60 GLU H H 95 8.235 8.235 8.312 -0.077 17578 6571 1 12 . 1 1 61 61 ASP N N 96 120.910 120.910 118.352 2.558 17578 6572 1 12 . 1 1 61 61 ASP HA H 96 4.292 4.292 4.641 -0.349 17578 6573 1 12 . 1 1 61 61 ASP C C 96 177.890 177.890 177.332 0.558 17578 6574 1 12 . 1 1 61 61 ASP CA C 96 57.235 57.235 56.240 0.995 17578 6575 1 12 . 1 1 61 61 ASP CB C 96 40.580 40.580 41.253 -0.673 17578 6576 1 12 . 1 1 61 61 ASP H H 96 8.509 8.509 7.787 0.722 17578 6577 1 12 . 1 1 62 62 HIS N N 97 115.923 115.923 116.287 -0.364 17578 6578 1 12 . 1 1 62 62 HIS HA H 97 4.495 4.495 4.760 -0.265 17578 6579 1 12 . 1 1 62 62 HIS C C 97 173.548 173.548 174.523 -0.975 17578 6580 1 12 . 1 1 62 62 HIS CA C 97 57.290 57.290 55.927 1.363 17578 6581 1 12 . 1 1 62 62 HIS CB C 97 29.997 29.997 32.566 -2.570 17578 6582 1 12 . 1 1 62 62 HIS H H 97 7.635 7.635 7.941 -0.306 17578 6583 1 12 . 1 1 63 63 SER N N 98 114.634 114.634 113.971 0.663 17578 6584 1 12 . 1 1 63 63 SER HA H 98 4.489 4.489 4.258 0.231 17578 6585 1 12 . 1 1 63 63 SER C C 98 173.949 173.949 172.326 1.623 17578 6586 1 12 . 1 1 63 63 SER CA C 98 58.842 58.842 58.624 0.218 17578 6587 1 12 . 1 1 63 63 SER CB C 98 61.396 61.396 62.831 -1.435 17578 6588 1 12 . 1 1 63 63 SER H H 98 7.888 7.888 7.981 -0.093 17578 6589 1 12 . 1 1 64 64 VAL N N 99 123.090 123.090 123.859 -0.769 17578 6590 1 12 . 1 1 64 64 VAL HA H 99 4.721 4.721 4.395 0.326 17578 6591 1 12 . 1 1 64 64 VAL CA C 99 58.978 58.978 58.909 0.069 17578 6592 1 12 . 1 1 64 64 VAL CB C 99 35.228 35.228 34.723 0.505 17578 6593 1 12 . 1 1 64 64 VAL H H 99 8.590 8.590 8.043 0.547 17578 6594 1 12 . 1 1 65 65 PRO HA H 100 4.263 4.263 4.093 0.170 17578 6595 1 12 . 1 1 65 65 PRO C C 100 173.191 173.191 175.194 -2.003 17578 6596 1 12 . 1 1 65 65 PRO CA C 100 63.427 63.427 62.555 0.872 17578 6597 1 12 . 1 1 65 65 PRO CB C 100 31.863 31.863 32.193 -0.330 17578 6598 1 12 . 1 1 66 66 TYR N N 101 114.702 114.702 118.278 -3.576 17578 6599 1 12 . 1 1 66 66 TYR HA H 101 5.925 5.925 5.680 0.245 17578 6600 1 12 . 1 1 66 66 TYR CA C 101 53.501 53.501 54.834 -1.333 17578 6601 1 12 . 1 1 66 66 TYR CB C 101 41.793 41.793 41.786 0.007 17578 6602 1 12 . 1 1 66 66 TYR H H 101 6.243 6.243 7.694 -1.451 17578 6603 1 12 . 1 1 67 67 ILE N N 102 111.885 111.885 118.264 -6.379 17578 6604 1 12 . 1 1 67 67 ILE HA H 102 4.502 4.502 4.488 0.014 17578 6605 1 12 . 1 1 67 67 ILE C C 102 172.358 172.358 174.100 -1.742 17578 6606 1 12 . 1 1 67 67 ILE CA C 102 55.442 55.442 60.154 -4.712 17578 6607 1 12 . 1 1 67 67 ILE CB C 102 43.124 43.124 42.255 0.869 17578 6608 1 12 . 1 1 67 67 ILE H H 102 7.986 7.986 8.083 -0.097 17578 6609 1 12 . 1 1 68 68 PHE N N 103 122.274 122.274 124.421 -2.147 17578 6610 1 12 . 1 1 68 68 PHE HA H 103 5.087 5.087 5.352 -0.265 17578 6611 1 12 . 1 1 68 68 PHE C C 103 176.173 176.173 175.982 0.191 17578 6612 1 12 . 1 1 68 68 PHE CA C 103 56.103 56.103 56.989 -0.886 17578 6613 1 12 . 1 1 68 68 PHE CB C 103 39.891 39.891 40.297 -0.406 17578 6614 1 12 . 1 1 68 68 PHE H H 103 8.108 8.108 8.544 -0.436 17578 6615 1 12 . 1 1 69 69 ILE N N 104 114.613 114.613 120.408 -5.795 17578 6616 1 12 . 1 1 69 69 ILE HA H 104 4.927 4.927 4.708 0.219 17578 6617 1 12 . 1 1 69 69 ILE CA C 104 57.831 57.831 58.309 -0.478 17578 6618 1 12 . 1 1 69 69 ILE CB C 104 38.302 38.302 40.924 -2.622 17578 6619 1 12 . 1 1 69 69 ILE H H 104 8.843 8.843 8.746 0.097 17578 6620 1 12 . 1 1 70 70 PRO HA H 105 4.093 4.093 4.579 -0.486 17578 6621 1 12 . 1 1 70 70 PRO CA C 105 66.439 66.439 62.839 3.600 17578 6622 1 12 . 1 1 70 70 PRO CB C 105 32.879 32.879 29.683 3.196 17578 6623 1 12 . 1 1 71 71 SER N N 106 106.896 106.896 116.374 -9.478 17578 6624 1 12 . 1 1 71 71 SER HA H 106 5.227 5.227 4.541 0.686 17578 6625 1 12 . 1 1 71 71 SER CA C 106 55.373 55.373 57.812 -2.439 17578 6626 1 12 . 1 1 71 71 SER CB C 106 64.696 64.696 63.375 1.321 17578 6627 1 12 . 1 1 71 71 SER H H 106 7.548 7.548 8.491 -0.943 17578 6628 1 12 . 1 1 72 72 LYS N N 107 119.881 119.881 120.260 -0.379 17578 6629 1 12 . 1 1 72 72 LYS HA H 107 4.191 4.191 3.703 0.488 17578 6630 1 12 . 1 1 72 72 LYS CA C 107 58.623 58.623 59.777 -1.154 17578 6631 1 12 . 1 1 72 72 LYS CB C 107 30.957 30.957 31.533 -0.576 17578 6632 1 12 . 1 1 72 72 LYS H H 107 8.328 8.328 8.321 0.007 17578 6633 1 12 . 1 1 73 73 GLN N N 108 123.720 123.720 119.026 4.694 17578 6634 1 12 . 1 1 73 73 GLN HA H 108 4.013 4.013 4.058 -0.045 17578 6635 1 12 . 1 1 73 73 GLN CA C 108 58.621 58.621 59.230 -0.609 17578 6636 1 12 . 1 1 73 73 GLN CB C 108 28.331 28.331 27.673 0.658 17578 6637 1 12 . 1 1 73 73 GLN H H 108 8.543 8.543 8.588 -0.045 17578 6638 1 12 . 1 1 74 74 ASP N N 109 121.068 121.068 118.581 2.487 17578 6639 1 12 . 1 1 74 74 ASP HA H 109 4.353 4.353 4.307 0.046 17578 6640 1 12 . 1 1 74 74 ASP CA C 109 56.941 56.941 57.160 -0.219 17578 6641 1 12 . 1 1 74 74 ASP CB C 109 40.403 40.403 40.154 0.249 17578 6642 1 12 . 1 1 74 74 ASP H H 109 7.998 7.998 8.420 -0.422 17578 6643 1 12 . 1 1 75 75 LEU N N 110 120.670 120.670 121.340 -0.670 17578 6644 1 12 . 1 1 75 75 LEU HA H 110 3.967 3.967 3.993 -0.026 17578 6645 1 12 . 1 1 75 75 LEU C C 110 178.753 178.753 178.546 0.207 17578 6646 1 12 . 1 1 75 75 LEU CA C 110 57.080 57.080 58.229 -1.149 17578 6647 1 12 . 1 1 75 75 LEU CB C 110 41.235 41.235 41.711 -0.476 17578 6648 1 12 . 1 1 75 75 LEU H H 110 7.999 7.999 8.474 -0.475 17578 6649 1 12 . 1 1 76 76 GLY N N 111 105.512 105.512 105.660 -0.148 17578 6650 1 12 . 1 1 76 76 GLY C C 111 175.517 175.517 175.753 -0.236 17578 6651 1 12 . 1 1 76 76 GLY CA C 111 46.745 46.745 47.095 -0.350 17578 6652 1 12 . 1 1 76 76 GLY H H 111 8.012 8.012 8.194 -0.182 17578 6653 1 12 . 1 1 77 77 ALA N N 112 122.891 122.891 124.232 -1.341 17578 6654 1 12 . 1 1 77 77 ALA HA H 112 4.180 4.180 4.033 0.147 17578 6655 1 12 . 1 1 77 77 ALA CA C 112 53.652 53.652 54.446 -0.794 17578 6656 1 12 . 1 1 77 77 ALA CB C 112 18.482 18.482 18.564 -0.082 17578 6657 1 12 . 1 1 77 77 ALA H H 112 7.785 7.785 7.834 -0.049 17578 6658 1 12 . 1 1 78 78 ALA N N 113 121.205 121.205 120.434 0.771 17578 6659 1 12 . 1 1 78 78 ALA HA H 113 4.213 4.213 3.984 0.229 17578 6660 1 12 . 1 1 78 78 ALA CA C 113 53.503 53.503 54.340 -0.837 17578 6661 1 12 . 1 1 78 78 ALA CB C 113 18.897 18.897 18.946 -0.049 17578 6662 1 12 . 1 1 78 78 ALA H H 113 7.787 7.787 8.277 -0.490 17578 6663 1 12 . 1 1 79 79 GLY N N 114 104.082 104.082 103.874 0.208 17578 6664 1 12 . 1 1 79 79 GLY CA C 114 44.764 44.764 44.621 0.143 17578 6665 1 12 . 1 1 79 79 GLY H H 114 7.756 7.756 7.874 -0.118 17578 6666 1 12 . 1 1 80 80 ALA HA H 115 4.061 4.061 4.034 0.027 17578 6667 1 12 . 1 1 80 80 ALA CA C 115 53.192 53.192 52.891 0.301 17578 6668 1 12 . 1 1 80 80 ALA CB C 115 19.493 19.493 16.436 3.057 17578 6669 1 12 . 1 1 81 81 THR N N 116 116.258 116.258 110.207 6.051 17578 6670 1 12 . 1 1 81 81 THR CA C 116 57.223 57.223 60.809 -3.586 17578 6671 1 12 . 1 1 81 81 THR CB C 116 64.784 64.784 70.824 -6.040 17578 6672 1 12 . 1 1 81 81 THR H H 116 8.121 8.121 7.328 0.793 17578 6673 1 12 . 1 1 83 83 ARG N N 118 122.269 122.269 120.538 1.731 17578 6674 1 12 . 1 1 83 83 ARG H H 118 8.128 8.128 8.064 0.064 17578 6675 1 12 . 1 1 85 85 THR N N 120 120.171 120.171 115.435 4.736 17578 6676 1 12 . 1 1 85 85 THR C C 120 172.729 172.729 174.673 -1.944 17578 6677 1 12 . 1 1 85 85 THR H H 120 8.127 8.127 8.258 -0.131 17578 6678 1 12 . 1 1 86 86 SER N N 121 115.808 115.808 120.246 -4.438 17578 6679 1 12 . 1 1 86 86 SER HA H 121 4.280 4.280 4.247 0.033 17578 6680 1 12 . 1 1 86 86 SER CA C 121 59.573 59.573 60.329 -0.756 17578 6681 1 12 . 1 1 86 86 SER CB C 121 64.384 64.384 63.546 0.838 17578 6682 1 12 . 1 1 86 86 SER H H 121 7.045 7.045 8.238 -1.193 17578 6683 1 12 . 1 1 87 87 VAL N N 122 115.790 115.790 116.086 -0.296 17578 6684 1 12 . 1 1 87 87 VAL HA H 122 5.203 5.203 4.620 0.583 17578 6685 1 12 . 1 1 87 87 VAL CA C 122 59.412 59.412 59.231 0.181 17578 6686 1 12 . 1 1 87 87 VAL CB C 122 32.729 32.729 32.087 0.643 17578 6687 1 12 . 1 1 87 87 VAL H H 122 7.082 7.082 7.356 -0.274 17578 6688 1 12 . 1 1 88 88 VAL N N 123 119.313 119.313 128.277 -8.964 17578 6689 1 12 . 1 1 88 88 VAL HA H 123 5.097 5.097 4.964 0.133 17578 6690 1 12 . 1 1 88 88 VAL C C 123 172.990 172.990 173.409 -0.419 17578 6691 1 12 . 1 1 88 88 VAL CA C 123 58.925 58.925 59.746 -0.821 17578 6692 1 12 . 1 1 88 88 VAL CB C 123 35.929 35.929 34.825 1.105 17578 6693 1 12 . 1 1 88 88 VAL H H 123 8.948 8.948 8.266 0.682 17578 6694 1 12 . 1 1 89 89 PHE N N 124 122.616 122.616 128.915 -6.299 17578 6695 1 12 . 1 1 89 89 PHE HA H 124 5.641 5.641 5.393 0.248 17578 6696 1 12 . 1 1 89 89 PHE C C 124 174.686 174.686 173.325 1.361 17578 6697 1 12 . 1 1 89 89 PHE CA C 124 52.579 52.579 54.584 -2.005 17578 6698 1 12 . 1 1 89 89 PHE CB C 124 42.392 42.392 42.212 0.180 17578 6699 1 12 . 1 1 89 89 PHE H H 124 9.065 9.065 8.930 0.135 17578 6700 1 12 . 1 1 90 90 ILE N N 125 127.599 127.599 123.963 3.636 17578 6701 1 12 . 1 1 90 90 ILE HA H 125 4.268 4.268 4.222 0.046 17578 6702 1 12 . 1 1 90 90 ILE C C 125 173.652 173.652 174.930 -1.278 17578 6703 1 12 . 1 1 90 90 ILE CA C 125 61.605 61.605 60.183 1.422 17578 6704 1 12 . 1 1 90 90 ILE CB C 125 39.533 39.533 38.415 1.118 17578 6705 1 12 . 1 1 90 90 ILE H H 125 9.498 9.498 8.812 0.686 17578 6706 1 12 . 1 1 91 91 VAL N N 126 126.693 126.693 125.099 1.594 17578 6707 1 12 . 1 1 91 91 VAL HA H 126 4.595 4.595 4.586 0.009 17578 6708 1 12 . 1 1 91 91 VAL CA C 126 58.380 58.380 58.303 0.077 17578 6709 1 12 . 1 1 91 91 VAL CB C 126 32.597 32.597 32.735 -0.138 17578 6710 1 12 . 1 1 91 91 VAL H H 126 8.169 8.169 8.098 0.071 17578 6711 1 12 . 1 1 92 92 PRO HA H 127 4.044 4.044 4.605 -0.561 17578 6712 1 12 . 1 1 92 92 PRO CA C 127 63.380 63.380 63.147 0.233 17578 6713 1 12 . 1 1 92 92 PRO CB C 127 31.735 31.735 32.894 -1.159 17578 6714 1 12 . 1 1 93 93 GLY N N 128 108.589 108.589 105.866 2.723 17578 6715 1 12 . 1 1 93 93 GLY CA C 128 45.443 45.443 45.422 0.021 17578 6716 1 12 . 1 1 93 93 GLY H H 128 8.022 8.022 8.705 -0.683 17578 6717 1 12 . 1 1 94 94 SER N N 129 113.115 113.115 113.899 -0.784 17578 6718 1 12 . 1 1 94 94 SER H H 129 7.992 7.992 7.557 0.435 17578 6719 1 12 . 1 1 95 95 ASN N N 130 120.738 120.738 121.639 -0.901 17578 6720 1 12 . 1 1 95 95 ASN C C 130 178.419 178.419 176.950 1.469 17578 6721 1 12 . 1 1 95 95 ASN CA C 130 57.337 57.337 56.203 1.134 17578 6722 1 12 . 1 1 95 95 ASN CB C 130 41.958 41.958 38.528 3.430 17578 6723 1 12 . 1 1 95 95 ASN H H 130 8.313 8.313 8.878 -0.565 17578 6724 1 12 . 1 1 96 96 LYS N N 131 119.159 119.159 119.438 -0.279 17578 6725 1 12 . 1 1 96 96 LYS HA H 131 4.021 4.021 4.342 -0.321 17578 6726 1 12 . 1 1 96 96 LYS CA C 131 58.749 58.749 57.760 0.989 17578 6727 1 12 . 1 1 96 96 LYS CB C 131 29.565 29.565 32.489 -2.924 17578 6728 1 12 . 1 1 96 96 LYS H H 131 7.881 7.881 8.188 -0.307 17578 6729 1 12 . 1 1 97 97 LYS N N 132 117.399 117.399 120.123 -2.724 17578 6730 1 12 . 1 1 97 97 LYS CA C 132 58.413 58.413 58.686 -0.273 17578 6731 1 12 . 1 1 97 97 LYS CB C 132 30.694 30.694 31.762 -1.068 17578 6732 1 12 . 1 1 97 97 LYS H H 132 7.765 7.765 8.310 -0.545 17578 6733 1 12 . 1 1 98 98 LYS N N 133 119.160 119.160 117.989 1.171 17578 6734 1 12 . 1 1 98 98 LYS CA C 133 58.266 58.266 59.341 -1.075 17578 6735 1 12 . 1 1 98 98 LYS CB C 133 30.981 30.981 32.362 -1.381 17578 6736 1 12 . 1 1 98 98 LYS H H 133 8.070 8.070 7.629 0.441 17578 6737 1 12 . 1 1 99 99 ASP N N 134 120.602 120.602 116.553 4.049 17578 6738 1 12 . 1 1 99 99 ASP CA C 134 55.586 55.586 52.994 2.592 17578 6739 1 12 . 1 1 99 99 ASP CB C 134 41.898 41.898 40.713 1.185 17578 6740 1 12 . 1 1 99 99 ASP H H 134 8.255 8.255 7.701 0.554 17578 6741 1 12 . 1 1 100 100 GLY N N 135 108.785 108.785 108.475 0.310 17578 6742 1 12 . 1 1 100 100 GLY CA C 135 45.536 45.536 45.705 -0.169 17578 6743 1 12 . 1 1 100 100 GLY H H 135 8.451 8.451 8.156 0.295 17578 6744 1 12 . 1 1 101 101 LYS N N 136 120.171 120.171 117.590 2.581 17578 6745 1 12 . 1 1 101 101 LYS H H 136 8.127 8.127 8.159 -0.032 17578 6746 1 12 . 1 1 102 102 ASN N N 137 118.588 118.588 118.214 0.374 17578 6747 1 12 . 1 1 102 102 ASN H H 137 8.481 8.481 7.933 0.548 17578 6748 1 12 . 1 1 103 103 LYS N N 138 121.739 121.739 119.988 1.751 17578 6749 1 12 . 1 1 103 103 LYS HA H 138 4.241 4.241 3.613 0.628 17578 6750 1 12 . 1 1 103 103 LYS CA C 138 56.760 56.760 58.941 -2.182 17578 6751 1 12 . 1 1 103 103 LYS CB C 138 32.691 32.691 31.781 0.910 17578 6752 1 12 . 1 1 103 103 LYS H H 138 8.318 8.318 8.536 -0.218 17578 6753 1 12 . 1 1 104 104 GLU N N 139 120.980 120.980 118.974 2.006 17578 6754 1 12 . 1 1 104 104 GLU CA C 139 57.235 57.235 59.658 -2.423 17578 6755 1 12 . 1 1 104 104 GLU CB C 139 29.893 29.893 29.194 0.699 17578 6756 1 12 . 1 1 104 104 GLU H H 139 8.478 8.478 8.593 -0.115 17578 6757 1 12 . 1 1 107 107 TYR N N 142 119.214 119.214 118.635 0.579 17578 6758 1 12 . 1 1 107 107 TYR HA H 142 5.023 5.023 3.975 1.048 17578 6759 1 12 . 1 1 107 107 TYR C C 142 175.419 175.419 178.116 -2.697 17578 6760 1 12 . 1 1 107 107 TYR CA C 142 57.200 57.200 58.238 -1.038 17578 6761 1 12 . 1 1 107 107 TYR CB C 142 39.165 39.165 37.113 2.052 17578 6762 1 12 . 1 1 107 107 TYR H H 142 7.992 7.992 7.812 0.180 17578 6763 1 12 . 1 1 108 108 LYS N N 143 123.500 123.500 119.339 4.161 17578 6764 1 12 . 1 1 108 108 LYS HA H 143 3.628 3.628 3.840 -0.212 17578 6765 1 12 . 1 1 108 108 LYS CA C 143 59.619 59.619 59.863 -0.244 17578 6766 1 12 . 1 1 108 108 LYS CB C 143 31.869 31.869 32.232 -0.363 17578 6767 1 12 . 1 1 108 108 LYS H H 143 7.377 7.377 8.333 -0.956 17578 6768 1 12 . 1 1 109 109 GLU N N 144 118.669 118.669 119.196 -0.527 17578 6769 1 12 . 1 1 109 109 GLU HA H 144 4.735 4.735 4.032 0.703 17578 6770 1 12 . 1 1 109 109 GLU CA C 144 59.865 59.865 59.332 0.533 17578 6771 1 12 . 1 1 109 109 GLU CB C 144 29.004 29.004 29.090 -0.086 17578 6772 1 12 . 1 1 109 109 GLU H H 144 8.583 8.583 8.096 0.487 17578 6773 1 12 . 1 1 110 110 SER N N 145 116.081 116.081 116.162 -0.081 17578 6774 1 12 . 1 1 110 110 SER HA H 145 4.448 4.448 4.256 0.192 17578 6775 1 12 . 1 1 110 110 SER CB C 145 64.178 64.178 62.938 1.240 17578 6776 1 12 . 1 1 110 110 SER H H 145 8.117 8.117 7.991 0.126 17578 6777 1 12 . 1 1 111 111 PHE N N 146 122.134 122.134 121.982 0.152 17578 6778 1 12 . 1 1 111 111 PHE HA H 146 4.022 4.022 4.227 -0.205 17578 6779 1 12 . 1 1 111 111 PHE C C 146 175.751 175.751 177.637 -1.886 17578 6780 1 12 . 1 1 111 111 PHE CA C 146 62.159 62.159 59.291 2.868 17578 6781 1 12 . 1 1 111 111 PHE CB C 146 39.533 39.533 38.093 1.440 17578 6782 1 12 . 1 1 111 111 PHE H H 146 8.553 8.553 8.105 0.448 17578 6783 1 12 . 1 1 112 112 ASN N N 147 117.856 117.856 117.589 0.267 17578 6784 1 12 . 1 1 112 112 ASN HA H 147 4.269 4.269 4.392 -0.123 17578 6785 1 12 . 1 1 112 112 ASN CA C 147 55.881 55.881 56.350 -0.469 17578 6786 1 12 . 1 1 112 112 ASN CB C 147 37.663 37.663 37.925 -0.262 17578 6787 1 12 . 1 1 112 112 ASN H H 147 8.809 8.809 8.807 0.002 17578 6788 1 12 . 1 1 113 113 GLU N N 148 119.708 119.708 120.482 -0.774 17578 6789 1 12 . 1 1 113 113 GLU HA H 148 4.021 4.021 4.105 -0.084 17578 6790 1 12 . 1 1 113 113 GLU CA C 148 59.385 59.385 59.299 0.086 17578 6791 1 12 . 1 1 113 113 GLU CB C 148 29.784 29.784 29.536 0.248 17578 6792 1 12 . 1 1 113 113 GLU H H 148 7.778 7.778 7.953 -0.175 17578 6793 1 12 . 1 1 114 114 VAL N N 149 119.680 119.680 120.095 -0.415 17578 6794 1 12 . 1 1 114 114 VAL HA H 149 3.556 3.556 3.721 -0.165 17578 6795 1 12 . 1 1 114 114 VAL CA C 149 66.625 66.625 67.472 -0.847 17578 6796 1 12 . 1 1 114 114 VAL CB C 149 31.368 31.368 31.896 -0.528 17578 6797 1 12 . 1 1 114 114 VAL H H 149 8.023 8.023 7.999 0.024 17578 6798 1 12 . 1 1 115 115 VAL N N 150 119.684 119.684 115.941 3.743 17578 6799 1 12 . 1 1 115 115 VAL HA H 150 3.163 3.163 3.601 -0.438 17578 6800 1 12 . 1 1 115 115 VAL C C 150 177.270 177.270 177.884 -0.614 17578 6801 1 12 . 1 1 115 115 VAL CA C 150 67.984 67.984 66.162 1.822 17578 6802 1 12 . 1 1 115 115 VAL CB C 150 30.848 30.848 31.096 -0.248 17578 6803 1 12 . 1 1 115 115 VAL H H 150 8.480 8.480 8.556 -0.076 17578 6804 1 12 . 1 1 116 116 LYS N N 151 118.648 118.648 120.497 -1.849 17578 6805 1 12 . 1 1 116 116 LYS HA H 151 4.027 4.027 4.092 -0.065 17578 6806 1 12 . 1 1 116 116 LYS CA C 151 59.691 59.691 59.059 0.632 17578 6807 1 12 . 1 1 116 116 LYS CB C 151 32.346 32.346 31.844 0.502 17578 6808 1 12 . 1 1 116 116 LYS H H 151 7.584 7.584 7.871 -0.287 17578 6809 1 12 . 1 1 117 117 GLU N N 152 120.177 120.177 119.936 0.241 17578 6810 1 12 . 1 1 117 117 GLU HA H 152 4.046 4.046 4.005 0.041 17578 6811 1 12 . 1 1 117 117 GLU CA C 152 59.932 59.932 59.837 0.095 17578 6812 1 12 . 1 1 117 117 GLU CB C 152 29.663 29.663 29.588 0.075 17578 6813 1 12 . 1 1 117 117 GLU H H 152 7.528 7.528 7.844 -0.316 17578 6814 1 12 . 1 1 118 118 VAL N N 153 120.413 120.413 116.048 4.365 17578 6815 1 12 . 1 1 118 118 VAL HA H 153 3.421 3.421 3.836 -0.415 17578 6816 1 12 . 1 1 118 118 VAL CA C 153 67.196 67.196 65.767 1.429 17578 6817 1 12 . 1 1 118 118 VAL CB C 153 31.600 31.600 31.387 0.213 17578 6818 1 12 . 1 1 118 118 VAL H H 153 8.665 8.665 7.957 0.708 17578 6819 1 12 . 1 1 119 119 GLN N N 154 118.232 118.232 120.035 -1.803 17578 6820 1 12 . 1 1 119 119 GLN HA H 154 3.982 3.982 4.031 -0.049 17578 6821 1 12 . 1 1 119 119 GLN CA C 154 59.651 59.651 58.564 1.087 17578 6822 1 12 . 1 1 119 119 GLN CB C 154 28.478 28.478 28.796 -0.318 17578 6823 1 12 . 1 1 119 119 GLN H H 154 8.950 8.950 7.889 1.061 17578 6824 1 12 . 1 1 120 120 ALA N N 155 120.568 120.568 121.348 -0.780 17578 6825 1 12 . 1 1 120 120 ALA HA H 155 4.223 4.223 4.274 -0.051 17578 6826 1 12 . 1 1 120 120 ALA CA C 155 55.071 55.071 53.793 1.278 17578 6827 1 12 . 1 1 120 120 ALA CB C 155 17.952 17.952 19.757 -1.805 17578 6828 1 12 . 1 1 120 120 ALA H H 155 7.486 7.486 8.006 -0.520 17578 6829 1 13 . 1 1 2 2 LYS N N 37 124.035 124.035 122.290 1.745 17578 6830 1 13 . 1 1 2 2 LYS HA H 37 4.064 4.064 4.341 -0.277 17578 6831 1 13 . 1 1 2 2 LYS H H 37 7.786 7.786 8.387 -0.601 17578 6832 1 13 . 1 1 3 3 LYS HA H 38 4.026 4.026 4.109 -0.083 17578 6833 1 13 . 1 1 3 3 LYS C C 38 179.176 179.176 178.363 0.813 17578 6834 1 13 . 1 1 3 3 LYS CA C 38 59.781 59.781 58.703 1.079 17578 6835 1 13 . 1 1 3 3 LYS CB C 38 32.626 32.626 31.944 0.682 17578 6836 1 13 . 1 1 4 4 LEU N N 39 122.003 122.003 120.553 1.450 17578 6837 1 13 . 1 1 4 4 LEU HA H 39 4.159 4.159 3.948 0.211 17578 6838 1 13 . 1 1 4 4 LEU C C 39 178.232 178.232 178.531 -0.299 17578 6839 1 13 . 1 1 4 4 LEU CA C 39 57.470 57.470 58.887 -1.417 17578 6840 1 13 . 1 1 4 4 LEU CB C 39 40.343 40.343 41.216 -0.873 17578 6841 1 13 . 1 1 4 4 LEU H H 39 7.877 7.877 8.184 -0.307 17578 6842 1 13 . 1 1 5 5 ASN N N 40 118.692 118.692 115.711 2.981 17578 6843 1 13 . 1 1 5 5 ASN HA H 40 3.997 3.997 4.337 -0.340 17578 6844 1 13 . 1 1 5 5 ASN C C 40 176.054 176.054 177.336 -1.282 17578 6845 1 13 . 1 1 5 5 ASN CA C 40 57.622 57.622 56.034 1.588 17578 6846 1 13 . 1 1 5 5 ASN CB C 40 40.113 40.113 38.021 2.092 17578 6847 1 13 . 1 1 5 5 ASN H H 40 9.313 9.313 7.971 1.342 17578 6848 1 13 . 1 1 6 6 LYS N N 41 115.497 115.497 120.116 -4.619 17578 6849 1 13 . 1 1 6 6 LYS HA H 41 3.928 3.928 3.991 -0.063 17578 6850 1 13 . 1 1 6 6 LYS C C 41 179.133 179.133 178.927 0.206 17578 6851 1 13 . 1 1 6 6 LYS CA C 41 59.909 59.909 58.990 0.919 17578 6852 1 13 . 1 1 6 6 LYS CB C 41 32.256 32.256 31.750 0.506 17578 6853 1 13 . 1 1 6 6 LYS H H 41 7.230 7.230 7.391 -0.161 17578 6854 1 13 . 1 1 7 7 LYS N N 42 118.961 118.961 118.802 0.159 17578 6855 1 13 . 1 1 7 7 LYS HA H 42 4.040 4.040 4.095 -0.055 17578 6856 1 13 . 1 1 7 7 LYS C C 42 180.272 180.272 179.141 1.131 17578 6857 1 13 . 1 1 7 7 LYS CA C 42 59.988 59.988 59.228 0.759 17578 6858 1 13 . 1 1 7 7 LYS CB C 42 33.462 33.462 32.123 1.339 17578 6859 1 13 . 1 1 7 7 LYS H H 42 7.367 7.367 8.086 -0.719 17578 6860 1 13 . 1 1 8 8 VAL N N 43 122.400 122.400 119.217 3.183 17578 6861 1 13 . 1 1 8 8 VAL HA H 43 3.303 3.303 4.055 -0.752 17578 6862 1 13 . 1 1 8 8 VAL CA C 43 67.430 67.430 66.049 1.381 17578 6863 1 13 . 1 1 8 8 VAL CB C 43 31.374 31.374 31.074 0.300 17578 6864 1 13 . 1 1 8 8 VAL H H 43 9.215 9.215 8.274 0.941 17578 6865 1 13 . 1 1 9 9 LEU N N 44 119.626 119.626 122.283 -2.657 17578 6866 1 13 . 1 1 9 9 LEU HA H 44 3.833 3.833 4.441 -0.608 17578 6867 1 13 . 1 1 9 9 LEU CA C 44 58.453 58.453 58.012 0.441 17578 6868 1 13 . 1 1 9 9 LEU CB C 44 41.171 41.171 41.896 -0.725 17578 6869 1 13 . 1 1 9 9 LEU H H 44 8.471 8.471 8.225 0.246 17578 6870 1 13 . 1 1 10 10 LYS N N 45 119.761 119.761 117.681 2.080 17578 6871 1 13 . 1 1 10 10 LYS HA H 45 4.026 4.026 4.036 -0.010 17578 6872 1 13 . 1 1 10 10 LYS CA C 45 59.919 59.919 59.508 0.411 17578 6873 1 13 . 1 1 10 10 LYS CB C 45 32.430 32.430 31.933 0.497 17578 6874 1 13 . 1 1 10 10 LYS H H 45 7.883 7.883 8.261 -0.378 17578 6875 1 13 . 1 1 11 11 THR N N 46 116.469 116.469 117.176 -0.707 17578 6876 1 13 . 1 1 11 11 THR HA H 46 4.339 4.339 4.024 0.315 17578 6877 1 13 . 1 1 11 11 THR C C 46 175.987 175.987 176.396 -0.409 17578 6878 1 13 . 1 1 11 11 THR CB C 46 68.013 68.013 68.240 -0.227 17578 6879 1 13 . 1 1 11 11 THR H H 46 7.805 7.805 8.096 -0.291 17578 6880 1 13 . 1 1 12 12 VAL N N 47 121.907 121.907 121.321 0.586 17578 6881 1 13 . 1 1 12 12 VAL HA H 47 3.232 3.232 3.921 -0.689 17578 6882 1 13 . 1 1 12 12 VAL CA C 47 67.331 67.331 65.687 1.644 17578 6883 1 13 . 1 1 12 12 VAL CB C 47 31.438 31.438 31.644 -0.206 17578 6884 1 13 . 1 1 12 12 VAL H H 47 8.782 8.782 8.340 0.442 17578 6885 1 13 . 1 1 13 13 LYS N N 48 122.393 122.393 119.374 3.019 17578 6886 1 13 . 1 1 13 13 LYS HA H 48 4.258 4.258 4.051 0.207 17578 6887 1 13 . 1 1 13 13 LYS C C 48 179.808 179.808 178.914 0.894 17578 6888 1 13 . 1 1 13 13 LYS CA C 48 59.999 59.999 59.672 0.327 17578 6889 1 13 . 1 1 13 13 LYS CB C 48 32.553 32.553 32.158 0.395 17578 6890 1 13 . 1 1 13 13 LYS H H 48 8.171 8.171 8.050 0.121 17578 6891 1 13 . 1 1 14 14 LYS N N 49 118.852 118.852 118.388 0.464 17578 6892 1 13 . 1 1 14 14 LYS HA H 49 3.973 3.973 4.094 -0.121 17578 6893 1 13 . 1 1 14 14 LYS CA C 49 59.811 59.811 58.895 0.916 17578 6894 1 13 . 1 1 14 14 LYS CB C 49 33.389 33.389 32.572 0.817 17578 6895 1 13 . 1 1 14 14 LYS H H 49 7.941 7.941 7.803 0.139 17578 6896 1 13 . 1 1 15 15 ALA N N 50 122.047 122.047 120.489 1.558 17578 6897 1 13 . 1 1 15 15 ALA HA H 50 3.496 3.496 4.134 -0.638 17578 6898 1 13 . 1 1 15 15 ALA CA C 50 54.709 54.709 54.085 0.624 17578 6899 1 13 . 1 1 15 15 ALA CB C 50 18.917 18.917 18.381 0.535 17578 6900 1 13 . 1 1 15 15 ALA H H 50 8.544 8.544 8.088 0.456 17578 6901 1 13 . 1 1 16 16 SER N N 51 116.561 116.561 115.501 1.060 17578 6902 1 13 . 1 1 16 16 SER HA H 51 4.730 4.730 4.147 0.583 17578 6903 1 13 . 1 1 16 16 SER C C 51 178.560 178.560 176.767 1.793 17578 6904 1 13 . 1 1 16 16 SER CA C 51 61.680 61.680 61.620 0.060 17578 6905 1 13 . 1 1 16 16 SER CB C 51 62.551 62.551 63.009 -0.458 17578 6906 1 13 . 1 1 16 16 SER H H 51 8.551 8.551 8.196 0.355 17578 6907 1 13 . 1 1 17 17 LYS N N 52 124.890 124.890 120.369 4.521 17578 6908 1 13 . 1 1 17 17 LYS HA H 52 4.072 4.072 4.077 -0.005 17578 6909 1 13 . 1 1 17 17 LYS C C 52 177.377 177.377 177.314 0.063 17578 6910 1 13 . 1 1 17 17 LYS CA C 52 58.931 58.931 58.550 0.381 17578 6911 1 13 . 1 1 17 17 LYS CB C 52 31.961 31.961 32.178 -0.217 17578 6912 1 13 . 1 1 17 17 LYS H H 52 7.578 7.578 7.661 -0.083 17578 6913 1 13 . 1 1 18 18 ALA N N 53 118.628 118.628 118.774 -0.146 17578 6914 1 13 . 1 1 18 18 ALA HA H 53 4.285 4.285 4.458 -0.173 17578 6915 1 13 . 1 1 18 18 ALA C C 53 175.061 175.061 176.742 -1.681 17578 6916 1 13 . 1 1 18 18 ALA CA C 53 51.822 51.822 51.356 0.466 17578 6917 1 13 . 1 1 18 18 ALA CB C 53 19.390 19.390 19.362 0.028 17578 6918 1 13 . 1 1 18 18 ALA H H 53 7.112 7.112 7.621 -0.509 17578 6919 1 13 . 1 1 19 19 LYS N N 54 111.984 111.984 116.812 -4.828 17578 6920 1 13 . 1 1 19 19 LYS HA H 54 4.026 4.026 3.998 0.028 17578 6921 1 13 . 1 1 19 19 LYS CA C 54 57.222 57.222 57.114 0.108 17578 6922 1 13 . 1 1 19 19 LYS CB C 54 28.387 28.387 30.319 -1.932 17578 6923 1 13 . 1 1 19 19 LYS H H 54 7.653 7.653 7.986 -0.333 17578 6924 1 13 . 1 1 20 20 ASN N N 55 116.088 116.088 115.427 0.661 17578 6925 1 13 . 1 1 20 20 ASN HA H 55 5.102 5.102 4.870 0.232 17578 6926 1 13 . 1 1 20 20 ASN C C 55 172.975 172.975 174.241 -1.266 17578 6927 1 13 . 1 1 20 20 ASN CA C 55 51.215 51.215 52.688 -1.473 17578 6928 1 13 . 1 1 20 20 ASN CB C 55 40.316 40.316 39.151 1.165 17578 6929 1 13 . 1 1 20 20 ASN H H 55 8.118 8.118 7.722 0.396 17578 6930 1 13 . 1 1 21 21 VAL N N 56 114.959 114.959 118.533 -3.574 17578 6931 1 13 . 1 1 21 21 VAL HA H 56 4.938 4.938 4.129 0.809 17578 6932 1 13 . 1 1 21 21 VAL C C 56 175.409 175.409 173.427 1.982 17578 6933 1 13 . 1 1 21 21 VAL CA C 56 60.901 60.901 60.405 0.496 17578 6934 1 13 . 1 1 21 21 VAL CB C 56 35.368 35.368 33.884 1.484 17578 6935 1 13 . 1 1 21 21 VAL H H 56 7.628 7.628 7.464 0.164 17578 6936 1 13 . 1 1 22 22 LYS N N 57 126.485 126.485 126.414 0.071 17578 6937 1 13 . 1 1 22 22 LYS HA H 57 4.712 4.712 4.592 0.120 17578 6938 1 13 . 1 1 22 22 LYS C C 57 175.394 175.394 174.504 0.890 17578 6939 1 13 . 1 1 22 22 LYS CA C 57 54.485 54.485 54.484 0.001 17578 6940 1 13 . 1 1 22 22 LYS CB C 57 33.669 33.669 36.203 -2.534 17578 6941 1 13 . 1 1 22 22 LYS H H 57 8.987 8.987 8.437 0.550 17578 6942 1 13 . 1 1 23 23 ARG N N 58 122.011 122.011 120.024 1.987 17578 6943 1 13 . 1 1 23 23 ARG HA H 58 4.837 4.837 5.228 -0.391 17578 6944 1 13 . 1 1 23 23 ARG C C 58 175.930 175.930 175.796 0.134 17578 6945 1 13 . 1 1 23 23 ARG CA C 58 55.872 55.872 54.737 1.135 17578 6946 1 13 . 1 1 23 23 ARG CB C 58 33.513 33.513 33.839 -0.326 17578 6947 1 13 . 1 1 23 23 ARG H H 58 9.024 9.024 8.592 0.432 17578 6948 1 13 . 1 1 24 24 GLY N N 59 111.007 111.007 111.120 -0.113 17578 6949 1 13 . 1 1 24 24 GLY CA C 59 44.790 44.790 44.543 0.247 17578 6950 1 13 . 1 1 24 24 GLY H H 59 8.315 8.315 9.021 -0.706 17578 6951 1 13 . 1 1 25 25 VAL N N 60 119.423 119.423 121.966 -2.543 17578 6952 1 13 . 1 1 25 25 VAL HA H 60 3.156 3.156 3.521 -0.365 17578 6953 1 13 . 1 1 25 25 VAL C C 60 176.562 176.562 176.898 -0.336 17578 6954 1 13 . 1 1 25 25 VAL CA C 60 68.037 68.037 65.811 2.226 17578 6955 1 13 . 1 1 25 25 VAL CB C 60 32.050 32.050 31.985 0.064 17578 6956 1 13 . 1 1 25 25 VAL H H 60 8.152 8.152 8.715 -0.563 17578 6957 1 13 . 1 1 26 26 LYS N N 61 117.316 117.316 119.023 -1.707 17578 6958 1 13 . 1 1 26 26 LYS HA H 61 3.919 3.919 3.999 -0.080 17578 6959 1 13 . 1 1 26 26 LYS C C 61 180.130 180.130 178.329 1.801 17578 6960 1 13 . 1 1 26 26 LYS CA C 61 60.157 60.157 59.846 0.311 17578 6961 1 13 . 1 1 26 26 LYS CB C 61 32.041 32.041 32.113 -0.072 17578 6962 1 13 . 1 1 26 26 LYS H H 61 8.156 8.156 8.389 -0.233 17578 6963 1 13 . 1 1 27 27 GLU N N 62 117.535 117.535 118.783 -1.248 17578 6964 1 13 . 1 1 27 27 GLU HA H 62 3.961 3.961 4.168 -0.207 17578 6965 1 13 . 1 1 27 27 GLU CA C 62 58.787 58.787 59.232 -0.445 17578 6966 1 13 . 1 1 27 27 GLU CB C 62 29.843 29.843 29.086 0.757 17578 6967 1 13 . 1 1 27 27 GLU H H 62 8.531 8.531 8.107 0.424 17578 6968 1 13 . 1 1 28 28 VAL N N 63 120.589 120.589 117.182 3.407 17578 6969 1 13 . 1 1 28 28 VAL HA H 63 3.498 3.498 2.470 1.028 17578 6970 1 13 . 1 1 28 28 VAL CA C 63 68.099 68.099 65.803 2.296 17578 6971 1 13 . 1 1 28 28 VAL CB C 63 31.376 31.376 30.453 0.923 17578 6972 1 13 . 1 1 28 28 VAL H H 63 8.255 8.255 8.151 0.104 17578 6973 1 13 . 1 1 29 29 VAL N N 64 118.570 118.570 120.495 -1.925 17578 6974 1 13 . 1 1 29 29 VAL HA H 64 3.359 3.359 3.428 -0.069 17578 6975 1 13 . 1 1 29 29 VAL C C 64 177.549 177.549 177.847 -0.298 17578 6976 1 13 . 1 1 29 29 VAL CA C 64 67.456 67.456 66.443 1.013 17578 6977 1 13 . 1 1 29 29 VAL CB C 64 31.233 31.233 31.083 0.150 17578 6978 1 13 . 1 1 29 29 VAL H H 64 8.535 8.535 7.908 0.627 17578 6979 1 13 . 1 1 30 30 LYS N N 65 117.926 117.926 120.460 -2.534 17578 6980 1 13 . 1 1 30 30 LYS HA H 65 3.875 3.875 3.892 -0.017 17578 6981 1 13 . 1 1 30 30 LYS CA C 65 59.811 59.811 59.863 -0.052 17578 6982 1 13 . 1 1 30 30 LYS CB C 65 32.715 32.715 32.323 0.392 17578 6983 1 13 . 1 1 30 30 LYS H H 65 7.538 7.538 7.881 -0.343 17578 6984 1 13 . 1 1 31 31 ALA N N 66 120.475 120.475 120.895 -0.420 17578 6985 1 13 . 1 1 31 31 ALA HA H 66 4.071 4.071 4.194 -0.123 17578 6986 1 13 . 1 1 31 31 ALA C C 66 179.596 179.596 179.510 0.086 17578 6987 1 13 . 1 1 31 31 ALA CA C 66 55.051 55.051 54.775 0.276 17578 6988 1 13 . 1 1 31 31 ALA CB C 66 18.901 18.901 18.306 0.595 17578 6989 1 13 . 1 1 31 31 ALA H H 66 7.496 7.496 7.869 -0.373 17578 6990 1 13 . 1 1 32 32 LEU N N 67 119.357 119.357 119.147 0.210 17578 6991 1 13 . 1 1 32 32 LEU HA H 67 3.854 3.854 3.924 -0.070 17578 6992 1 13 . 1 1 32 32 LEU CA C 67 57.859 57.859 57.218 0.641 17578 6993 1 13 . 1 1 32 32 LEU CB C 67 42.442 42.442 42.045 0.397 17578 6994 1 13 . 1 1 32 32 LEU H H 67 8.376 8.376 7.705 0.671 17578 6995 1 13 . 1 1 33 33 ARG N N 68 116.045 116.045 117.644 -1.599 17578 6996 1 13 . 1 1 33 33 ARG HA H 68 3.802 3.802 4.093 -0.291 17578 6997 1 13 . 1 1 33 33 ARG CA C 68 59.306 59.306 57.285 2.021 17578 6998 1 13 . 1 1 33 33 ARG CB C 68 29.759 29.759 30.254 -0.495 17578 6999 1 13 . 1 1 33 33 ARG H H 68 8.091 8.091 7.920 0.171 17578 7000 1 13 . 1 1 34 34 LYS N N 69 117.845 117.845 117.381 0.464 17578 7001 1 13 . 1 1 34 34 LYS HA H 69 4.255 4.255 4.130 0.125 17578 7002 1 13 . 1 1 34 34 LYS C C 69 176.831 176.831 177.627 -0.796 17578 7003 1 13 . 1 1 34 34 LYS CA C 69 56.548 56.548 57.194 -0.645 17578 7004 1 13 . 1 1 34 34 LYS CB C 69 32.710 32.710 33.143 -0.433 17578 7005 1 13 . 1 1 34 34 LYS H H 69 7.616 7.616 8.011 -0.395 17578 7006 1 13 . 1 1 35 35 GLY N N 70 106.783 106.783 104.454 2.329 17578 7007 1 13 . 1 1 35 35 GLY CA C 70 45.537 45.537 44.937 0.600 17578 7008 1 13 . 1 1 35 35 GLY H H 70 7.739 7.739 8.219 -0.480 17578 7009 1 13 . 1 1 36 36 GLU N N 71 119.424 119.424 117.222 2.202 17578 7010 1 13 . 1 1 36 36 GLU HA H 71 4.226 4.226 4.570 -0.344 17578 7011 1 13 . 1 1 36 36 GLU C C 71 175.400 175.400 176.486 -1.086 17578 7012 1 13 . 1 1 36 36 GLU CA C 71 57.414 57.414 55.666 1.748 17578 7013 1 13 . 1 1 36 36 GLU CB C 71 29.442 29.442 30.418 -0.976 17578 7014 1 13 . 1 1 36 36 GLU H H 71 7.698 7.698 7.884 -0.186 17578 7015 1 13 . 1 1 37 37 LYS N N 72 118.290 118.290 121.504 -3.214 17578 7016 1 13 . 1 1 37 37 LYS HA H 72 4.903 4.903 4.379 0.524 17578 7017 1 13 . 1 1 37 37 LYS C C 72 175.809 175.809 176.374 -0.565 17578 7018 1 13 . 1 1 37 37 LYS CA C 72 53.791 53.791 57.416 -3.625 17578 7019 1 13 . 1 1 37 37 LYS CB C 72 34.781 34.781 32.574 2.207 17578 7020 1 13 . 1 1 37 37 LYS H H 72 8.223 8.223 7.569 0.654 17578 7021 1 13 . 1 1 38 38 GLY N N 73 104.682 104.682 108.816 -4.134 17578 7022 1 13 . 1 1 38 38 GLY C C 73 171.884 171.884 173.860 -1.976 17578 7023 1 13 . 1 1 38 38 GLY CA C 73 46.360 46.360 44.988 1.372 17578 7024 1 13 . 1 1 38 38 GLY H H 73 7.217 7.217 8.225 -1.008 17578 7025 1 13 . 1 1 39 39 LEU N N 74 125.372 125.372 122.747 2.625 17578 7026 1 13 . 1 1 39 39 LEU HA H 74 4.994 4.994 4.925 0.069 17578 7027 1 13 . 1 1 39 39 LEU C C 74 174.380 174.380 176.027 -1.647 17578 7028 1 13 . 1 1 39 39 LEU CA C 74 54.363 54.363 53.318 1.045 17578 7029 1 13 . 1 1 39 39 LEU CB C 74 47.028 47.028 42.094 4.934 17578 7030 1 13 . 1 1 39 39 LEU H H 74 8.945 8.945 8.161 0.784 17578 7031 1 13 . 1 1 40 40 VAL N N 75 130.967 130.967 126.554 4.413 17578 7032 1 13 . 1 1 40 40 VAL HA H 75 4.644 4.644 4.219 0.425 17578 7033 1 13 . 1 1 40 40 VAL C C 75 173.667 173.667 174.690 -1.023 17578 7034 1 13 . 1 1 40 40 VAL CA C 75 62.273 62.273 62.490 -0.217 17578 7035 1 13 . 1 1 40 40 VAL CB C 75 32.591 32.591 33.103 -0.512 17578 7036 1 13 . 1 1 40 40 VAL H H 75 8.551 8.551 8.592 -0.041 17578 7037 1 13 . 1 1 41 41 VAL N N 76 127.493 127.493 126.184 1.309 17578 7038 1 13 . 1 1 41 41 VAL HA H 76 4.660 4.660 4.401 0.259 17578 7039 1 13 . 1 1 41 41 VAL C C 76 173.669 173.669 174.760 -1.091 17578 7040 1 13 . 1 1 41 41 VAL CA C 76 60.899 60.899 60.707 0.192 17578 7041 1 13 . 1 1 41 41 VAL CB C 76 33.346 33.346 33.528 -0.182 17578 7042 1 13 . 1 1 41 41 VAL H H 76 8.804 8.804 8.843 -0.039 17578 7043 1 13 . 1 1 42 42 ILE N N 77 125.646 125.646 126.556 -0.910 17578 7044 1 13 . 1 1 42 42 ILE HA H 77 4.444 4.444 4.725 -0.281 17578 7045 1 13 . 1 1 42 42 ILE C C 77 174.817 174.817 174.572 0.245 17578 7046 1 13 . 1 1 42 42 ILE CA C 77 59.700 59.700 58.512 1.188 17578 7047 1 13 . 1 1 42 42 ILE CB C 77 39.977 39.977 40.015 -0.038 17578 7048 1 13 . 1 1 42 42 ILE H H 77 8.613 8.613 8.716 -0.103 17578 7049 1 13 . 1 1 43 43 ALA N N 78 128.691 128.691 128.746 -0.055 17578 7050 1 13 . 1 1 43 43 ALA HA H 78 4.459 4.459 5.086 -0.627 17578 7051 1 13 . 1 1 43 43 ALA C C 78 177.584 177.584 177.813 -0.229 17578 7052 1 13 . 1 1 43 43 ALA CA C 78 52.372 52.372 50.117 2.255 17578 7053 1 13 . 1 1 43 43 ALA CB C 78 19.504 19.504 21.079 -1.575 17578 7054 1 13 . 1 1 43 43 ALA H H 78 8.565 8.565 7.896 0.669 17578 7055 1 13 . 1 1 44 44 GLY N N 79 103.957 103.957 107.223 -3.266 17578 7056 1 13 . 1 1 44 44 GLY C C 79 173.252 173.252 173.593 -0.341 17578 7057 1 13 . 1 1 44 44 GLY CA C 79 45.764 45.764 46.248 -0.484 17578 7058 1 13 . 1 1 44 44 GLY H H 79 9.083 9.083 8.700 0.383 17578 7059 1 13 . 1 1 45 45 ASP N N 80 118.632 118.632 118.185 0.447 17578 7060 1 13 . 1 1 45 45 ASP HA H 80 4.918 4.918 4.991 -0.073 17578 7061 1 13 . 1 1 45 45 ASP CA C 80 52.689 52.689 53.399 -0.710 17578 7062 1 13 . 1 1 45 45 ASP CB C 80 39.118 39.118 40.776 -1.658 17578 7063 1 13 . 1 1 45 45 ASP H H 80 8.695 8.695 7.711 0.984 17578 7064 1 13 . 1 1 46 46 ILE N N 81 117.935 117.935 118.383 -0.448 17578 7065 1 13 . 1 1 46 46 ILE HA H 81 4.179 4.179 4.596 -0.417 17578 7066 1 13 . 1 1 46 46 ILE C C 81 172.890 172.890 174.496 -1.606 17578 7067 1 13 . 1 1 46 46 ILE CA C 81 59.242 59.242 59.547 -0.305 17578 7068 1 13 . 1 1 46 46 ILE CB C 81 39.253 39.253 41.340 -2.087 17578 7069 1 13 . 1 1 46 46 ILE H H 81 6.730 6.730 7.379 -0.649 17578 7070 1 13 . 1 1 47 47 TRP N N 82 123.585 123.585 124.385 -0.800 17578 7071 1 13 . 1 1 47 47 TRP HA H 82 4.587 4.587 5.169 -0.582 17578 7072 1 13 . 1 1 47 47 TRP CA C 82 55.386 55.386 54.982 0.404 17578 7073 1 13 . 1 1 47 47 TRP CB C 82 32.147 32.147 31.065 1.082 17578 7074 1 13 . 1 1 47 47 TRP H H 82 7.804 7.804 8.755 -0.951 17578 7075 1 13 . 1 1 48 48 PRO HA H 83 4.248 4.248 4.782 -0.534 17578 7076 1 13 . 1 1 48 48 PRO CA C 83 62.712 62.712 62.712 0.000 17578 7077 1 13 . 1 1 48 48 PRO CB C 83 34.011 34.011 32.511 1.500 17578 7078 1 13 . 1 1 49 49 ALA N N 84 121.827 121.827 119.729 2.098 17578 7079 1 13 . 1 1 49 49 ALA HA H 84 3.969 3.969 3.753 0.216 17578 7080 1 13 . 1 1 49 49 ALA CA C 84 54.183 54.183 53.009 1.174 17578 7081 1 13 . 1 1 49 49 ALA CB C 84 19.404 19.404 18.339 1.065 17578 7082 1 13 . 1 1 49 49 ALA H H 84 8.198 8.198 8.326 -0.128 17578 7083 1 13 . 1 1 50 50 ASP N N 85 114.049 114.049 118.918 -4.869 17578 7084 1 13 . 1 1 50 50 ASP HA H 85 4.301 4.301 4.121 0.180 17578 7085 1 13 . 1 1 50 50 ASP C C 85 177.428 177.428 177.433 -0.005 17578 7086 1 13 . 1 1 50 50 ASP CA C 85 55.777 55.777 56.662 -0.885 17578 7087 1 13 . 1 1 50 50 ASP CB C 85 40.060 40.060 40.293 -0.233 17578 7088 1 13 . 1 1 50 50 ASP H H 85 8.008 8.008 8.460 -0.452 17578 7089 1 13 . 1 1 51 51 VAL N N 86 116.790 116.790 115.685 1.105 17578 7090 1 13 . 1 1 51 51 VAL HA H 86 3.841 3.841 3.459 0.382 17578 7091 1 13 . 1 1 51 51 VAL C C 86 176.231 176.231 177.504 -1.273 17578 7092 1 13 . 1 1 51 51 VAL CA C 86 65.332 65.332 65.060 0.272 17578 7093 1 13 . 1 1 51 51 VAL CB C 86 32.123 32.123 31.228 0.895 17578 7094 1 13 . 1 1 51 51 VAL H H 86 7.542 7.542 6.922 0.620 17578 7095 1 13 . 1 1 52 52 ILE N N 87 107.529 107.529 119.047 -11.518 17578 7096 1 13 . 1 1 52 52 ILE HA H 87 4.638 4.638 3.484 1.154 17578 7097 1 13 . 1 1 52 52 ILE C C 87 178.026 178.026 177.709 0.317 17578 7098 1 13 . 1 1 52 52 ILE CA C 87 59.806 59.806 64.582 -4.776 17578 7099 1 13 . 1 1 52 52 ILE CB C 87 40.742 40.742 37.274 3.468 17578 7100 1 13 . 1 1 52 52 ILE H H 87 7.310 7.310 7.967 -0.657 17578 7101 1 13 . 1 1 53 53 SER N N 88 116.004 116.004 113.220 2.784 17578 7102 1 13 . 1 1 53 53 SER HA H 88 4.566 4.566 4.392 0.174 17578 7103 1 13 . 1 1 53 53 SER CA C 88 61.760 61.760 60.541 1.219 17578 7104 1 13 . 1 1 53 53 SER CB C 88 62.391 62.391 63.475 -1.084 17578 7105 1 13 . 1 1 53 53 SER H H 88 7.827 7.827 7.627 0.200 17578 7106 1 13 . 1 1 54 54 HIS HA H 89 4.572 4.572 4.323 0.249 17578 7107 1 13 . 1 1 54 54 HIS CA C 89 56.789 56.789 58.337 -1.548 17578 7108 1 13 . 1 1 54 54 HIS CB C 89 30.527 30.527 29.668 0.859 17578 7109 1 13 . 1 1 55 55 ILE N N 90 120.579 120.579 120.432 0.147 17578 7110 1 13 . 1 1 55 55 ILE HA H 90 3.512 3.512 3.708 -0.196 17578 7111 1 13 . 1 1 55 55 ILE CA C 90 65.424 65.424 66.360 -0.936 17578 7112 1 13 . 1 1 55 55 ILE CB C 90 34.176 34.176 35.037 -0.861 17578 7113 1 13 . 1 1 55 55 ILE H H 90 7.764 7.764 7.927 -0.163 17578 7114 1 13 . 1 1 56 56 PRO HA H 91 2.942 2.942 4.408 -1.466 17578 7115 1 13 . 1 1 56 56 PRO C C 91 177.032 177.032 178.947 -1.915 17578 7116 1 13 . 1 1 56 56 PRO CA C 91 66.842 66.842 65.722 1.120 17578 7117 1 13 . 1 1 56 56 PRO CB C 91 31.206 31.206 31.417 -0.211 17578 7118 1 13 . 1 1 57 57 VAL N N 92 114.379 114.379 119.427 -5.048 17578 7119 1 13 . 1 1 57 57 VAL HA H 92 3.574 3.574 3.827 -0.253 17578 7120 1 13 . 1 1 57 57 VAL CA C 92 65.900 65.900 65.682 0.218 17578 7121 1 13 . 1 1 57 57 VAL CB C 92 31.600 31.600 31.514 0.086 17578 7122 1 13 . 1 1 57 57 VAL H H 92 6.497 6.497 7.844 -1.347 17578 7123 1 13 . 1 1 58 58 LEU N N 93 120.522 120.522 119.594 0.928 17578 7124 1 13 . 1 1 58 58 LEU HA H 93 4.227 4.227 4.216 0.011 17578 7125 1 13 . 1 1 58 58 LEU C C 93 180.251 180.251 178.468 1.783 17578 7126 1 13 . 1 1 58 58 LEU CA C 93 57.838 57.838 58.279 -0.441 17578 7127 1 13 . 1 1 58 58 LEU CB C 93 43.172 43.172 41.059 2.113 17578 7128 1 13 . 1 1 58 58 LEU H H 93 7.460 7.460 7.678 -0.218 17578 7129 1 13 . 1 1 59 59 CYS N N 94 117.195 117.195 118.418 -1.223 17578 7130 1 13 . 1 1 59 59 CYS HA H 94 3.867 3.867 4.315 -0.448 17578 7131 1 13 . 1 1 59 59 CYS C C 94 176.362 176.362 176.521 -0.159 17578 7132 1 13 . 1 1 59 59 CYS CA C 94 65.379 65.379 63.138 2.241 17578 7133 1 13 . 1 1 59 59 CYS CB C 94 26.344 26.344 28.204 -1.860 17578 7134 1 13 . 1 1 59 59 CYS H H 94 8.335 8.335 8.083 0.252 17578 7135 1 13 . 1 1 60 60 GLU N N 95 120.777 120.777 118.653 2.124 17578 7136 1 13 . 1 1 60 60 GLU HA H 95 4.209 4.209 4.083 0.126 17578 7137 1 13 . 1 1 60 60 GLU CA C 95 59.760 59.760 58.651 1.109 17578 7138 1 13 . 1 1 60 60 GLU CB C 95 29.201 29.201 29.629 -0.428 17578 7139 1 13 . 1 1 60 60 GLU H H 95 8.235 8.235 8.198 0.037 17578 7140 1 13 . 1 1 61 61 ASP N N 96 120.910 120.910 118.157 2.753 17578 7141 1 13 . 1 1 61 61 ASP HA H 96 4.292 4.292 4.544 -0.252 17578 7142 1 13 . 1 1 61 61 ASP C C 96 177.890 177.890 177.570 0.320 17578 7143 1 13 . 1 1 61 61 ASP CA C 96 57.235 57.235 55.833 1.402 17578 7144 1 13 . 1 1 61 61 ASP CB C 96 40.580 40.580 41.421 -0.841 17578 7145 1 13 . 1 1 61 61 ASP H H 96 8.509 8.509 7.799 0.710 17578 7146 1 13 . 1 1 62 62 HIS N N 97 115.923 115.923 117.449 -1.526 17578 7147 1 13 . 1 1 62 62 HIS HA H 97 4.495 4.495 4.847 -0.352 17578 7148 1 13 . 1 1 62 62 HIS C C 97 173.548 173.548 174.387 -0.839 17578 7149 1 13 . 1 1 62 62 HIS CA C 97 57.290 57.290 55.312 1.978 17578 7150 1 13 . 1 1 62 62 HIS CB C 97 29.997 29.997 31.970 -1.973 17578 7151 1 13 . 1 1 62 62 HIS H H 97 7.635 7.635 7.981 -0.346 17578 7152 1 13 . 1 1 63 63 SER N N 98 114.634 114.634 113.818 0.816 17578 7153 1 13 . 1 1 63 63 SER HA H 98 4.489 4.489 4.036 0.453 17578 7154 1 13 . 1 1 63 63 SER C C 98 173.949 173.949 172.053 1.896 17578 7155 1 13 . 1 1 63 63 SER CA C 98 58.842 58.842 59.131 -0.289 17578 7156 1 13 . 1 1 63 63 SER CB C 98 61.396 61.396 62.660 -1.264 17578 7157 1 13 . 1 1 63 63 SER H H 98 7.888 7.888 7.865 0.023 17578 7158 1 13 . 1 1 64 64 VAL N N 99 123.090 123.090 123.354 -0.264 17578 7159 1 13 . 1 1 64 64 VAL HA H 99 4.721 4.721 4.439 0.282 17578 7160 1 13 . 1 1 64 64 VAL CA C 99 58.978 58.978 58.764 0.214 17578 7161 1 13 . 1 1 64 64 VAL CB C 99 35.228 35.228 34.734 0.494 17578 7162 1 13 . 1 1 64 64 VAL H H 99 8.590 8.590 8.098 0.492 17578 7163 1 13 . 1 1 65 65 PRO HA H 100 4.263 4.263 4.145 0.118 17578 7164 1 13 . 1 1 65 65 PRO C C 100 173.191 173.191 175.211 -2.020 17578 7165 1 13 . 1 1 65 65 PRO CA C 100 63.427 63.427 62.522 0.905 17578 7166 1 13 . 1 1 65 65 PRO CB C 100 31.863 31.863 32.117 -0.254 17578 7167 1 13 . 1 1 66 66 TYR N N 101 114.702 114.702 118.097 -3.395 17578 7168 1 13 . 1 1 66 66 TYR HA H 101 5.925 5.925 5.573 0.352 17578 7169 1 13 . 1 1 66 66 TYR CA C 101 53.501 53.501 54.822 -1.321 17578 7170 1 13 . 1 1 66 66 TYR CB C 101 41.793 41.793 41.614 0.179 17578 7171 1 13 . 1 1 66 66 TYR H H 101 6.243 6.243 7.624 -1.381 17578 7172 1 13 . 1 1 67 67 ILE N N 102 111.885 111.885 119.609 -7.724 17578 7173 1 13 . 1 1 67 67 ILE HA H 102 4.502 4.502 4.504 -0.002 17578 7174 1 13 . 1 1 67 67 ILE C C 102 172.358 172.358 174.272 -1.914 17578 7175 1 13 . 1 1 67 67 ILE CA C 102 55.442 55.442 60.366 -4.924 17578 7176 1 13 . 1 1 67 67 ILE CB C 102 43.124 43.124 42.041 1.083 17578 7177 1 13 . 1 1 67 67 ILE H H 102 7.986 7.986 8.321 -0.335 17578 7178 1 13 . 1 1 68 68 PHE N N 103 122.274 122.274 129.600 -7.326 17578 7179 1 13 . 1 1 68 68 PHE HA H 103 5.087 5.087 5.139 -0.052 17578 7180 1 13 . 1 1 68 68 PHE C C 103 176.173 176.173 174.182 1.991 17578 7181 1 13 . 1 1 68 68 PHE CA C 103 56.103 56.103 56.213 -0.110 17578 7182 1 13 . 1 1 68 68 PHE CB C 103 39.891 39.891 39.886 0.005 17578 7183 1 13 . 1 1 68 68 PHE H H 103 8.108 8.108 8.790 -0.682 17578 7184 1 13 . 1 1 69 69 ILE N N 104 114.613 114.613 127.107 -12.494 17578 7185 1 13 . 1 1 69 69 ILE HA H 104 4.927 4.927 4.028 0.899 17578 7186 1 13 . 1 1 69 69 ILE CA C 104 57.831 57.831 59.592 -1.761 17578 7187 1 13 . 1 1 69 69 ILE CB C 104 38.302 38.302 42.121 -3.819 17578 7188 1 13 . 1 1 69 69 ILE H H 104 8.843 8.843 8.565 0.278 17578 7189 1 13 . 1 1 70 70 PRO HA H 105 4.093 4.093 4.692 -0.599 17578 7190 1 13 . 1 1 70 70 PRO CA C 105 66.439 66.439 62.759 3.680 17578 7191 1 13 . 1 1 70 70 PRO CB C 105 32.879 32.879 30.649 2.230 17578 7192 1 13 . 1 1 71 71 SER N N 106 106.896 106.896 118.856 -11.960 17578 7193 1 13 . 1 1 71 71 SER HA H 106 5.227 5.227 4.481 0.746 17578 7194 1 13 . 1 1 71 71 SER CA C 106 55.373 55.373 57.540 -2.167 17578 7195 1 13 . 1 1 71 71 SER CB C 106 64.696 64.696 63.094 1.602 17578 7196 1 13 . 1 1 71 71 SER H H 106 7.548 7.548 8.101 -0.553 17578 7197 1 13 . 1 1 72 72 LYS N N 107 119.881 119.881 123.119 -3.238 17578 7198 1 13 . 1 1 72 72 LYS HA H 107 4.191 4.191 3.822 0.369 17578 7199 1 13 . 1 1 72 72 LYS CA C 107 58.623 58.623 60.816 -2.193 17578 7200 1 13 . 1 1 72 72 LYS CB C 107 30.957 30.957 32.254 -1.297 17578 7201 1 13 . 1 1 72 72 LYS H H 107 8.328 8.328 8.318 0.010 17578 7202 1 13 . 1 1 73 73 GLN N N 108 123.720 123.720 116.939 6.781 17578 7203 1 13 . 1 1 73 73 GLN HA H 108 4.013 4.013 3.997 0.016 17578 7204 1 13 . 1 1 73 73 GLN CA C 108 58.621 58.621 59.483 -0.862 17578 7205 1 13 . 1 1 73 73 GLN CB C 108 28.331 28.331 27.822 0.509 17578 7206 1 13 . 1 1 73 73 GLN H H 108 8.543 8.543 8.631 -0.088 17578 7207 1 13 . 1 1 74 74 ASP N N 109 121.068 121.068 119.619 1.449 17578 7208 1 13 . 1 1 74 74 ASP HA H 109 4.353 4.353 4.349 0.004 17578 7209 1 13 . 1 1 74 74 ASP CA C 109 56.941 56.941 56.898 0.043 17578 7210 1 13 . 1 1 74 74 ASP CB C 109 40.403 40.403 40.220 0.183 17578 7211 1 13 . 1 1 74 74 ASP H H 109 7.998 7.998 8.350 -0.352 17578 7212 1 13 . 1 1 75 75 LEU N N 110 120.670 120.670 120.001 0.669 17578 7213 1 13 . 1 1 75 75 LEU HA H 110 3.967 3.967 3.900 0.067 17578 7214 1 13 . 1 1 75 75 LEU C C 110 178.753 178.753 179.372 -0.619 17578 7215 1 13 . 1 1 75 75 LEU CA C 110 57.080 57.080 57.796 -0.716 17578 7216 1 13 . 1 1 75 75 LEU CB C 110 41.235 41.235 41.544 -0.309 17578 7217 1 13 . 1 1 75 75 LEU H H 110 7.999 7.999 8.541 -0.542 17578 7218 1 13 . 1 1 76 76 GLY N N 111 105.512 105.512 106.132 -0.620 17578 7219 1 13 . 1 1 76 76 GLY C C 111 175.517 175.517 175.851 -0.334 17578 7220 1 13 . 1 1 76 76 GLY CA C 111 46.745 46.745 47.155 -0.410 17578 7221 1 13 . 1 1 76 76 GLY H H 111 8.012 8.012 8.178 -0.166 17578 7222 1 13 . 1 1 77 77 ALA N N 112 122.891 122.891 124.654 -1.763 17578 7223 1 13 . 1 1 77 77 ALA HA H 112 4.180 4.180 4.079 0.101 17578 7224 1 13 . 1 1 77 77 ALA CA C 112 53.652 53.652 54.724 -1.073 17578 7225 1 13 . 1 1 77 77 ALA CB C 112 18.482 18.482 18.394 0.088 17578 7226 1 13 . 1 1 77 77 ALA H H 112 7.785 7.785 7.993 -0.208 17578 7227 1 13 . 1 1 78 78 ALA N N 113 121.205 121.205 119.563 1.642 17578 7228 1 13 . 1 1 78 78 ALA HA H 113 4.213 4.213 4.009 0.204 17578 7229 1 13 . 1 1 78 78 ALA CA C 113 53.503 53.503 53.775 -0.272 17578 7230 1 13 . 1 1 78 78 ALA CB C 113 18.897 18.897 19.748 -0.851 17578 7231 1 13 . 1 1 78 78 ALA H H 113 7.787 7.787 8.266 -0.479 17578 7232 1 13 . 1 1 79 79 GLY N N 114 104.082 104.082 102.353 1.729 17578 7233 1 13 . 1 1 79 79 GLY CA C 114 44.764 44.764 45.334 -0.570 17578 7234 1 13 . 1 1 79 79 GLY H H 114 7.756 7.756 7.605 0.151 17578 7235 1 13 . 1 1 80 80 ALA HA H 115 4.061 4.061 4.428 -0.367 17578 7236 1 13 . 1 1 80 80 ALA CA C 115 53.192 53.192 52.337 0.855 17578 7237 1 13 . 1 1 80 80 ALA CB C 115 19.493 19.493 20.054 -0.561 17578 7238 1 13 . 1 1 81 81 THR N N 116 116.258 116.258 114.830 1.428 17578 7239 1 13 . 1 1 81 81 THR CA C 116 57.223 57.223 62.020 -4.797 17578 7240 1 13 . 1 1 81 81 THR CB C 116 64.784 64.784 69.206 -4.422 17578 7241 1 13 . 1 1 81 81 THR H H 116 8.121 8.121 7.805 0.316 17578 7242 1 13 . 1 1 83 83 ARG N N 118 122.269 122.269 118.182 4.087 17578 7243 1 13 . 1 1 83 83 ARG H H 118 8.128 8.128 7.749 0.379 17578 7244 1 13 . 1 1 85 85 THR N N 120 120.171 120.171 117.980 2.191 17578 7245 1 13 . 1 1 85 85 THR C C 120 172.729 172.729 175.287 -2.558 17578 7246 1 13 . 1 1 85 85 THR H H 120 8.127 8.127 8.033 0.094 17578 7247 1 13 . 1 1 86 86 SER N N 121 115.808 115.808 118.230 -2.422 17578 7248 1 13 . 1 1 86 86 SER HA H 121 4.280 4.280 4.522 -0.242 17578 7249 1 13 . 1 1 86 86 SER CA C 121 59.573 59.573 59.040 0.533 17578 7250 1 13 . 1 1 86 86 SER CB C 121 64.384 64.384 64.155 0.229 17578 7251 1 13 . 1 1 86 86 SER H H 121 7.045 7.045 8.246 -1.201 17578 7252 1 13 . 1 1 87 87 VAL N N 122 115.790 115.790 117.731 -1.941 17578 7253 1 13 . 1 1 87 87 VAL HA H 122 5.203 5.203 4.794 0.409 17578 7254 1 13 . 1 1 87 87 VAL CA C 122 59.412 59.412 60.580 -1.168 17578 7255 1 13 . 1 1 87 87 VAL CB C 122 32.729 32.729 33.019 -0.290 17578 7256 1 13 . 1 1 87 87 VAL H H 122 7.082 7.082 7.610 -0.528 17578 7257 1 13 . 1 1 88 88 VAL N N 123 119.313 119.313 128.750 -9.437 17578 7258 1 13 . 1 1 88 88 VAL HA H 123 5.097 5.097 5.097 0.000 17578 7259 1 13 . 1 1 88 88 VAL C C 123 172.990 172.990 173.678 -0.688 17578 7260 1 13 . 1 1 88 88 VAL CA C 123 58.925 58.925 59.664 -0.739 17578 7261 1 13 . 1 1 88 88 VAL CB C 123 35.929 35.929 35.010 0.919 17578 7262 1 13 . 1 1 88 88 VAL H H 123 8.948 8.948 8.417 0.531 17578 7263 1 13 . 1 1 89 89 PHE N N 124 122.616 122.616 128.387 -5.771 17578 7264 1 13 . 1 1 89 89 PHE HA H 124 5.641 5.641 5.518 0.123 17578 7265 1 13 . 1 1 89 89 PHE C C 124 174.686 174.686 173.741 0.945 17578 7266 1 13 . 1 1 89 89 PHE CA C 124 52.579 52.579 54.193 -1.614 17578 7267 1 13 . 1 1 89 89 PHE CB C 124 42.392 42.392 41.889 0.503 17578 7268 1 13 . 1 1 89 89 PHE H H 124 9.065 9.065 9.013 0.052 17578 7269 1 13 . 1 1 90 90 ILE N N 125 127.599 127.599 124.552 3.047 17578 7270 1 13 . 1 1 90 90 ILE HA H 125 4.268 4.268 3.992 0.276 17578 7271 1 13 . 1 1 90 90 ILE C C 125 173.652 173.652 175.149 -1.497 17578 7272 1 13 . 1 1 90 90 ILE CA C 125 61.605 61.605 60.991 0.614 17578 7273 1 13 . 1 1 90 90 ILE CB C 125 39.533 39.533 38.345 1.188 17578 7274 1 13 . 1 1 90 90 ILE H H 125 9.498 9.498 9.264 0.234 17578 7275 1 13 . 1 1 91 91 VAL N N 126 126.693 126.693 125.245 1.448 17578 7276 1 13 . 1 1 91 91 VAL HA H 126 4.595 4.595 4.662 -0.067 17578 7277 1 13 . 1 1 91 91 VAL CA C 126 58.380 58.380 58.147 0.233 17578 7278 1 13 . 1 1 91 91 VAL CB C 126 32.597 32.597 32.277 0.320 17578 7279 1 13 . 1 1 91 91 VAL H H 126 8.169 8.169 8.670 -0.501 17578 7280 1 13 . 1 1 92 92 PRO HA H 127 4.044 4.044 4.389 -0.345 17578 7281 1 13 . 1 1 92 92 PRO CA C 127 63.380 63.380 62.605 0.775 17578 7282 1 13 . 1 1 92 92 PRO CB C 127 31.735 31.735 30.007 1.728 17578 7283 1 13 . 1 1 93 93 GLY N N 128 108.589 108.589 112.924 -4.335 17578 7284 1 13 . 1 1 93 93 GLY CA C 128 45.443 45.443 45.981 -0.538 17578 7285 1 13 . 1 1 93 93 GLY H H 128 8.022 8.022 8.584 -0.562 17578 7286 1 13 . 1 1 94 94 SER N N 129 113.115 113.115 118.902 -5.787 17578 7287 1 13 . 1 1 94 94 SER H H 129 7.992 7.992 7.969 0.023 17578 7288 1 13 . 1 1 95 95 ASN N N 130 120.738 120.738 121.842 -1.104 17578 7289 1 13 . 1 1 95 95 ASN C C 130 178.419 178.419 177.145 1.274 17578 7290 1 13 . 1 1 95 95 ASN CA C 130 57.337 57.337 56.105 1.232 17578 7291 1 13 . 1 1 95 95 ASN CB C 130 41.958 41.958 37.939 4.019 17578 7292 1 13 . 1 1 95 95 ASN H H 130 8.313 8.313 9.056 -0.743 17578 7293 1 13 . 1 1 96 96 LYS N N 131 119.159 119.159 120.264 -1.105 17578 7294 1 13 . 1 1 96 96 LYS HA H 131 4.021 4.021 4.203 -0.182 17578 7295 1 13 . 1 1 96 96 LYS CA C 131 58.749 58.749 58.397 0.353 17578 7296 1 13 . 1 1 96 96 LYS CB C 131 29.565 29.565 32.130 -2.565 17578 7297 1 13 . 1 1 96 96 LYS H H 131 7.881 7.881 7.762 0.119 17578 7298 1 13 . 1 1 97 97 LYS N N 132 117.399 117.399 120.183 -2.784 17578 7299 1 13 . 1 1 97 97 LYS CA C 132 58.413 58.413 58.195 0.218 17578 7300 1 13 . 1 1 97 97 LYS CB C 132 30.694 30.694 32.267 -1.573 17578 7301 1 13 . 1 1 97 97 LYS H H 132 7.765 7.765 7.854 -0.089 17578 7302 1 13 . 1 1 98 98 LYS N N 133 119.160 119.160 117.411 1.749 17578 7303 1 13 . 1 1 98 98 LYS CA C 133 58.266 58.266 58.464 -0.198 17578 7304 1 13 . 1 1 98 98 LYS CB C 133 30.981 30.981 32.108 -1.127 17578 7305 1 13 . 1 1 98 98 LYS H H 133 8.070 8.070 7.470 0.600 17578 7306 1 13 . 1 1 99 99 ASP N N 134 120.602 120.602 118.664 1.938 17578 7307 1 13 . 1 1 99 99 ASP CA C 134 55.586 55.586 52.941 2.645 17578 7308 1 13 . 1 1 99 99 ASP CB C 134 41.898 41.898 40.865 1.033 17578 7309 1 13 . 1 1 99 99 ASP H H 134 8.255 8.255 7.724 0.531 17578 7310 1 13 . 1 1 100 100 GLY N N 135 108.785 108.785 108.000 0.785 17578 7311 1 13 . 1 1 100 100 GLY CA C 135 45.536 45.536 44.854 0.682 17578 7312 1 13 . 1 1 100 100 GLY H H 135 8.451 8.451 7.682 0.769 17578 7313 1 13 . 1 1 101 101 LYS N N 136 120.171 120.171 117.281 2.890 17578 7314 1 13 . 1 1 101 101 LYS H H 136 8.127 8.127 8.160 -0.033 17578 7315 1 13 . 1 1 102 102 ASN N N 137 118.588 118.588 119.265 -0.677 17578 7316 1 13 . 1 1 102 102 ASN H H 137 8.481 8.481 8.114 0.367 17578 7317 1 13 . 1 1 103 103 LYS N N 138 121.739 121.739 119.165 2.574 17578 7318 1 13 . 1 1 103 103 LYS HA H 138 4.241 4.241 4.352 -0.111 17578 7319 1 13 . 1 1 103 103 LYS CA C 138 56.760 56.760 56.365 0.394 17578 7320 1 13 . 1 1 103 103 LYS CB C 138 32.691 32.691 32.084 0.607 17578 7321 1 13 . 1 1 103 103 LYS H H 138 8.318 8.318 8.505 -0.187 17578 7322 1 13 . 1 1 104 104 GLU N N 139 120.980 120.980 121.404 -0.424 17578 7323 1 13 . 1 1 104 104 GLU CA C 139 57.235 57.235 59.811 -2.576 17578 7324 1 13 . 1 1 104 104 GLU CB C 139 29.893 29.893 29.283 0.610 17578 7325 1 13 . 1 1 104 104 GLU H H 139 8.478 8.478 8.491 -0.013 17578 7326 1 13 . 1 1 107 107 TYR N N 142 119.214 119.214 121.290 -2.076 17578 7327 1 13 . 1 1 107 107 TYR HA H 142 5.023 5.023 3.819 1.204 17578 7328 1 13 . 1 1 107 107 TYR C C 142 175.419 175.419 177.217 -1.798 17578 7329 1 13 . 1 1 107 107 TYR CA C 142 57.200 57.200 61.545 -4.345 17578 7330 1 13 . 1 1 107 107 TYR CB C 142 39.165 39.165 38.239 0.926 17578 7331 1 13 . 1 1 107 107 TYR H H 142 7.992 7.992 8.362 -0.370 17578 7332 1 13 . 1 1 108 108 LYS N N 143 123.500 123.500 118.361 5.139 17578 7333 1 13 . 1 1 108 108 LYS HA H 143 3.628 3.628 3.703 -0.075 17578 7334 1 13 . 1 1 108 108 LYS CA C 143 59.619 59.619 58.859 0.760 17578 7335 1 13 . 1 1 108 108 LYS CB C 143 31.869 31.869 32.134 -0.265 17578 7336 1 13 . 1 1 108 108 LYS H H 143 7.377 7.377 8.237 -0.860 17578 7337 1 13 . 1 1 109 109 GLU N N 144 118.669 118.669 120.225 -1.556 17578 7338 1 13 . 1 1 109 109 GLU HA H 144 4.735 4.735 4.053 0.682 17578 7339 1 13 . 1 1 109 109 GLU CA C 144 59.865 59.865 59.291 0.574 17578 7340 1 13 . 1 1 109 109 GLU CB C 144 29.004 29.004 28.900 0.104 17578 7341 1 13 . 1 1 109 109 GLU H H 144 8.583 8.583 8.092 0.491 17578 7342 1 13 . 1 1 110 110 SER N N 145 116.081 116.081 116.229 -0.148 17578 7343 1 13 . 1 1 110 110 SER HA H 145 4.448 4.448 4.295 0.153 17578 7344 1 13 . 1 1 110 110 SER CB C 145 64.178 64.178 63.213 0.965 17578 7345 1 13 . 1 1 110 110 SER H H 145 8.117 8.117 8.023 0.094 17578 7346 1 13 . 1 1 111 111 PHE N N 146 122.134 122.134 121.840 0.294 17578 7347 1 13 . 1 1 111 111 PHE HA H 146 4.022 4.022 4.078 -0.056 17578 7348 1 13 . 1 1 111 111 PHE C C 146 175.751 175.751 177.240 -1.489 17578 7349 1 13 . 1 1 111 111 PHE CA C 146 62.159 62.159 59.606 2.553 17578 7350 1 13 . 1 1 111 111 PHE CB C 146 39.533 39.533 38.056 1.476 17578 7351 1 13 . 1 1 111 111 PHE H H 146 8.553 8.553 8.097 0.457 17578 7352 1 13 . 1 1 112 112 ASN N N 147 117.856 117.856 117.212 0.644 17578 7353 1 13 . 1 1 112 112 ASN HA H 147 4.269 4.269 4.315 -0.046 17578 7354 1 13 . 1 1 112 112 ASN CA C 147 55.881 55.881 56.788 -0.907 17578 7355 1 13 . 1 1 112 112 ASN CB C 147 37.663 37.663 38.473 -0.810 17578 7356 1 13 . 1 1 112 112 ASN H H 147 8.809 8.809 8.576 0.233 17578 7357 1 13 . 1 1 113 113 GLU N N 148 119.708 119.708 120.035 -0.327 17578 7358 1 13 . 1 1 113 113 GLU HA H 148 4.021 4.021 3.987 0.034 17578 7359 1 13 . 1 1 113 113 GLU CA C 148 59.385 59.385 59.580 -0.195 17578 7360 1 13 . 1 1 113 113 GLU CB C 148 29.784 29.784 29.768 0.016 17578 7361 1 13 . 1 1 113 113 GLU H H 148 7.778 7.778 7.837 -0.059 17578 7362 1 13 . 1 1 114 114 VAL N N 149 119.680 119.680 119.614 0.066 17578 7363 1 13 . 1 1 114 114 VAL HA H 149 3.556 3.556 4.034 -0.478 17578 7364 1 13 . 1 1 114 114 VAL CA C 149 66.625 66.625 66.342 0.283 17578 7365 1 13 . 1 1 114 114 VAL CB C 149 31.368 31.368 31.672 -0.304 17578 7366 1 13 . 1 1 114 114 VAL H H 149 8.023 8.023 8.326 -0.303 17578 7367 1 13 . 1 1 115 115 VAL N N 150 119.684 119.684 115.841 3.843 17578 7368 1 13 . 1 1 115 115 VAL HA H 150 3.163 3.163 3.597 -0.434 17578 7369 1 13 . 1 1 115 115 VAL C C 150 177.270 177.270 178.310 -1.040 17578 7370 1 13 . 1 1 115 115 VAL CA C 150 67.984 67.984 66.145 1.839 17578 7371 1 13 . 1 1 115 115 VAL CB C 150 30.848 30.848 30.889 -0.041 17578 7372 1 13 . 1 1 115 115 VAL H H 150 8.480 8.480 8.577 -0.097 17578 7373 1 13 . 1 1 116 116 LYS N N 151 118.648 118.648 120.740 -2.092 17578 7374 1 13 . 1 1 116 116 LYS HA H 151 4.027 4.027 4.034 -0.007 17578 7375 1 13 . 1 1 116 116 LYS CA C 151 59.691 59.691 59.217 0.474 17578 7376 1 13 . 1 1 116 116 LYS CB C 151 32.346 32.346 31.926 0.420 17578 7377 1 13 . 1 1 116 116 LYS H H 151 7.584 7.584 8.023 -0.439 17578 7378 1 13 . 1 1 117 117 GLU N N 152 120.177 120.177 120.710 -0.533 17578 7379 1 13 . 1 1 117 117 GLU HA H 152 4.046 4.046 3.964 0.082 17578 7380 1 13 . 1 1 117 117 GLU CA C 152 59.932 59.932 59.762 0.170 17578 7381 1 13 . 1 1 117 117 GLU CB C 152 29.663 29.663 29.666 -0.003 17578 7382 1 13 . 1 1 117 117 GLU H H 152 7.528 7.528 7.977 -0.449 17578 7383 1 13 . 1 1 118 118 VAL N N 153 120.413 120.413 119.499 0.914 17578 7384 1 13 . 1 1 118 118 VAL HA H 153 3.421 3.421 3.788 -0.367 17578 7385 1 13 . 1 1 118 118 VAL CA C 153 67.196 67.196 66.272 0.924 17578 7386 1 13 . 1 1 118 118 VAL CB C 153 31.600 31.600 31.869 -0.269 17578 7387 1 13 . 1 1 118 118 VAL H H 153 8.665 8.665 8.116 0.549 17578 7388 1 13 . 1 1 119 119 GLN N N 154 118.232 118.232 119.636 -1.404 17578 7389 1 13 . 1 1 119 119 GLN HA H 154 3.982 3.982 4.069 -0.087 17578 7390 1 13 . 1 1 119 119 GLN CA C 154 59.651 59.651 58.224 1.427 17578 7391 1 13 . 1 1 119 119 GLN CB C 154 28.478 28.478 28.993 -0.515 17578 7392 1 13 . 1 1 119 119 GLN H H 154 8.950 8.950 7.878 1.072 17578 7393 1 13 . 1 1 120 120 ALA N N 155 120.568 120.568 122.496 -1.928 17578 7394 1 13 . 1 1 120 120 ALA HA H 155 4.223 4.223 4.235 -0.012 17578 7395 1 13 . 1 1 120 120 ALA CA C 155 55.071 55.071 53.610 1.461 17578 7396 1 13 . 1 1 120 120 ALA CB C 155 17.952 17.952 19.577 -1.625 17578 7397 1 13 . 1 1 120 120 ALA H H 155 7.486 7.486 7.914 -0.428 17578 7398 1 14 . 1 1 2 2 LYS N N 37 124.035 124.035 122.531 1.504 17578 7399 1 14 . 1 1 2 2 LYS HA H 37 4.064 4.064 4.367 -0.303 17578 7400 1 14 . 1 1 2 2 LYS H H 37 7.786 7.786 8.329 -0.543 17578 7401 1 14 . 1 1 3 3 LYS HA H 38 4.026 4.026 4.144 -0.118 17578 7402 1 14 . 1 1 3 3 LYS C C 38 179.176 179.176 178.301 0.875 17578 7403 1 14 . 1 1 3 3 LYS CA C 38 59.781 59.781 58.597 1.184 17578 7404 1 14 . 1 1 3 3 LYS CB C 38 32.626 32.626 31.876 0.750 17578 7405 1 14 . 1 1 4 4 LEU N N 39 122.003 122.003 119.071 2.932 17578 7406 1 14 . 1 1 4 4 LEU HA H 39 4.159 4.159 3.945 0.214 17578 7407 1 14 . 1 1 4 4 LEU C C 39 178.232 178.232 178.648 -0.416 17578 7408 1 14 . 1 1 4 4 LEU CA C 39 57.470 57.470 58.242 -0.772 17578 7409 1 14 . 1 1 4 4 LEU CB C 39 40.343 40.343 41.665 -1.322 17578 7410 1 14 . 1 1 4 4 LEU H H 39 7.877 7.877 8.002 -0.125 17578 7411 1 14 . 1 1 5 5 ASN N N 40 118.692 118.692 116.869 1.823 17578 7412 1 14 . 1 1 5 5 ASN HA H 40 3.997 3.997 4.329 -0.332 17578 7413 1 14 . 1 1 5 5 ASN C C 40 176.054 176.054 177.629 -1.575 17578 7414 1 14 . 1 1 5 5 ASN CA C 40 57.622 57.622 56.170 1.452 17578 7415 1 14 . 1 1 5 5 ASN CB C 40 40.113 40.113 37.669 2.444 17578 7416 1 14 . 1 1 5 5 ASN H H 40 9.313 9.313 7.800 1.513 17578 7417 1 14 . 1 1 6 6 LYS N N 41 115.497 115.497 121.742 -6.245 17578 7418 1 14 . 1 1 6 6 LYS HA H 41 3.928 3.928 3.955 -0.027 17578 7419 1 14 . 1 1 6 6 LYS C C 41 179.133 179.133 179.116 0.017 17578 7420 1 14 . 1 1 6 6 LYS CA C 41 59.909 59.909 59.703 0.206 17578 7421 1 14 . 1 1 6 6 LYS CB C 41 32.256 32.256 32.308 -0.052 17578 7422 1 14 . 1 1 6 6 LYS H H 41 7.230 7.230 7.462 -0.232 17578 7423 1 14 . 1 1 7 7 LYS N N 42 118.961 118.961 118.949 0.012 17578 7424 1 14 . 1 1 7 7 LYS HA H 42 4.040 4.040 4.002 0.038 17578 7425 1 14 . 1 1 7 7 LYS C C 42 180.272 180.272 179.378 0.894 17578 7426 1 14 . 1 1 7 7 LYS CA C 42 59.988 59.988 59.277 0.711 17578 7427 1 14 . 1 1 7 7 LYS CB C 42 33.462 33.462 32.272 1.190 17578 7428 1 14 . 1 1 7 7 LYS H H 42 7.367 7.367 7.986 -0.619 17578 7429 1 14 . 1 1 8 8 VAL N N 43 122.400 122.400 120.001 2.399 17578 7430 1 14 . 1 1 8 8 VAL HA H 43 3.303 3.303 4.046 -0.743 17578 7431 1 14 . 1 1 8 8 VAL CA C 43 67.430 67.430 66.635 0.795 17578 7432 1 14 . 1 1 8 8 VAL CB C 43 31.374 31.374 31.809 -0.435 17578 7433 1 14 . 1 1 8 8 VAL H H 43 9.215 9.215 8.180 1.035 17578 7434 1 14 . 1 1 9 9 LEU N N 44 119.626 119.626 121.542 -1.916 17578 7435 1 14 . 1 1 9 9 LEU HA H 44 3.833 3.833 4.126 -0.293 17578 7436 1 14 . 1 1 9 9 LEU CA C 44 58.453 58.453 58.079 0.374 17578 7437 1 14 . 1 1 9 9 LEU CB C 44 41.171 41.171 41.669 -0.498 17578 7438 1 14 . 1 1 9 9 LEU H H 44 8.471 8.471 8.401 0.070 17578 7439 1 14 . 1 1 10 10 LYS N N 45 119.761 119.761 117.815 1.946 17578 7440 1 14 . 1 1 10 10 LYS HA H 45 4.026 4.026 4.010 0.016 17578 7441 1 14 . 1 1 10 10 LYS CA C 45 59.919 59.919 59.380 0.539 17578 7442 1 14 . 1 1 10 10 LYS CB C 45 32.430 32.430 31.721 0.709 17578 7443 1 14 . 1 1 10 10 LYS H H 45 7.883 7.883 8.320 -0.437 17578 7444 1 14 . 1 1 11 11 THR N N 46 116.469 116.469 117.598 -1.129 17578 7445 1 14 . 1 1 11 11 THR HA H 46 4.339 4.339 3.371 0.968 17578 7446 1 14 . 1 1 11 11 THR C C 46 175.987 175.987 176.320 -0.333 17578 7447 1 14 . 1 1 11 11 THR CB C 46 68.013 68.013 68.163 -0.150 17578 7448 1 14 . 1 1 11 11 THR H H 46 7.805 7.805 7.891 -0.086 17578 7449 1 14 . 1 1 12 12 VAL N N 47 121.907 121.907 121.512 0.395 17578 7450 1 14 . 1 1 12 12 VAL HA H 47 3.232 3.232 3.803 -0.571 17578 7451 1 14 . 1 1 12 12 VAL CA C 47 67.331 67.331 66.092 1.239 17578 7452 1 14 . 1 1 12 12 VAL CB C 47 31.438 31.438 31.776 -0.338 17578 7453 1 14 . 1 1 12 12 VAL H H 47 8.782 8.782 8.241 0.541 17578 7454 1 14 . 1 1 13 13 LYS N N 48 122.393 122.393 119.073 3.320 17578 7455 1 14 . 1 1 13 13 LYS HA H 48 4.258 4.258 4.004 0.254 17578 7456 1 14 . 1 1 13 13 LYS C C 48 179.808 179.808 178.685 1.123 17578 7457 1 14 . 1 1 13 13 LYS CA C 48 59.999 59.999 59.379 0.620 17578 7458 1 14 . 1 1 13 13 LYS CB C 48 32.553 32.553 32.148 0.405 17578 7459 1 14 . 1 1 13 13 LYS H H 48 8.171 8.171 8.055 0.116 17578 7460 1 14 . 1 1 14 14 LYS N N 49 118.852 118.852 118.270 0.582 17578 7461 1 14 . 1 1 14 14 LYS HA H 49 3.973 3.973 4.251 -0.278 17578 7462 1 14 . 1 1 14 14 LYS CA C 49 59.811 59.811 57.930 1.881 17578 7463 1 14 . 1 1 14 14 LYS CB C 49 33.389 33.389 32.508 0.881 17578 7464 1 14 . 1 1 14 14 LYS H H 49 7.941 7.941 7.822 0.119 17578 7465 1 14 . 1 1 15 15 ALA N N 50 122.047 122.047 123.284 -1.237 17578 7466 1 14 . 1 1 15 15 ALA HA H 50 3.496 3.496 4.087 -0.591 17578 7467 1 14 . 1 1 15 15 ALA CA C 50 54.709 54.709 54.971 -0.262 17578 7468 1 14 . 1 1 15 15 ALA CB C 50 18.917 18.917 17.821 1.096 17578 7469 1 14 . 1 1 15 15 ALA H H 50 8.544 8.544 8.298 0.246 17578 7470 1 14 . 1 1 16 16 SER N N 51 116.561 116.561 114.317 2.244 17578 7471 1 14 . 1 1 16 16 SER HA H 51 4.730 4.730 4.146 0.584 17578 7472 1 14 . 1 1 16 16 SER C C 51 178.560 178.560 176.987 1.573 17578 7473 1 14 . 1 1 16 16 SER CA C 51 61.680 61.680 61.777 -0.097 17578 7474 1 14 . 1 1 16 16 SER CB C 51 62.551 62.551 62.942 -0.391 17578 7475 1 14 . 1 1 16 16 SER H H 51 8.551 8.551 8.209 0.342 17578 7476 1 14 . 1 1 17 17 LYS N N 52 124.890 124.890 120.292 4.598 17578 7477 1 14 . 1 1 17 17 LYS HA H 52 4.072 4.072 4.104 -0.032 17578 7478 1 14 . 1 1 17 17 LYS C C 52 177.377 177.377 177.905 -0.528 17578 7479 1 14 . 1 1 17 17 LYS CA C 52 58.931 58.931 59.027 -0.096 17578 7480 1 14 . 1 1 17 17 LYS CB C 52 31.961 31.961 32.006 -0.045 17578 7481 1 14 . 1 1 17 17 LYS H H 52 7.578 7.578 8.007 -0.429 17578 7482 1 14 . 1 1 18 18 ALA N N 53 118.628 118.628 119.752 -1.124 17578 7483 1 14 . 1 1 18 18 ALA HA H 53 4.285 4.285 4.292 -0.007 17578 7484 1 14 . 1 1 18 18 ALA C C 53 175.061 175.061 176.771 -1.710 17578 7485 1 14 . 1 1 18 18 ALA CA C 53 51.822 51.822 52.094 -0.273 17578 7486 1 14 . 1 1 18 18 ALA CB C 53 19.390 19.390 18.701 0.689 17578 7487 1 14 . 1 1 18 18 ALA H H 53 7.112 7.112 7.679 -0.567 17578 7488 1 14 . 1 1 19 19 LYS N N 54 111.984 111.984 114.361 -2.377 17578 7489 1 14 . 1 1 19 19 LYS HA H 54 4.026 4.026 3.978 0.048 17578 7490 1 14 . 1 1 19 19 LYS CA C 54 57.222 57.222 57.242 -0.020 17578 7491 1 14 . 1 1 19 19 LYS CB C 54 28.387 28.387 28.982 -0.595 17578 7492 1 14 . 1 1 19 19 LYS H H 54 7.653 7.653 7.830 -0.177 17578 7493 1 14 . 1 1 20 20 ASN N N 55 116.088 116.088 116.083 0.005 17578 7494 1 14 . 1 1 20 20 ASN HA H 55 5.102 5.102 4.798 0.304 17578 7495 1 14 . 1 1 20 20 ASN C C 55 172.975 172.975 173.878 -0.903 17578 7496 1 14 . 1 1 20 20 ASN CA C 55 51.215 51.215 53.128 -1.913 17578 7497 1 14 . 1 1 20 20 ASN CB C 55 40.316 40.316 39.502 0.815 17578 7498 1 14 . 1 1 20 20 ASN H H 55 8.118 8.118 7.671 0.447 17578 7499 1 14 . 1 1 21 21 VAL N N 56 114.959 114.959 117.782 -2.823 17578 7500 1 14 . 1 1 21 21 VAL HA H 56 4.938 4.938 4.115 0.823 17578 7501 1 14 . 1 1 21 21 VAL C C 56 175.409 175.409 173.920 1.489 17578 7502 1 14 . 1 1 21 21 VAL CA C 56 60.901 60.901 60.495 0.406 17578 7503 1 14 . 1 1 21 21 VAL CB C 56 35.368 35.368 34.306 1.062 17578 7504 1 14 . 1 1 21 21 VAL H H 56 7.628 7.628 7.409 0.219 17578 7505 1 14 . 1 1 22 22 LYS N N 57 126.485 126.485 126.706 -0.221 17578 7506 1 14 . 1 1 22 22 LYS HA H 57 4.712 4.712 4.605 0.107 17578 7507 1 14 . 1 1 22 22 LYS C C 57 175.394 175.394 174.673 0.721 17578 7508 1 14 . 1 1 22 22 LYS CA C 57 54.485 54.485 53.427 1.058 17578 7509 1 14 . 1 1 22 22 LYS CB C 57 33.669 33.669 35.850 -2.181 17578 7510 1 14 . 1 1 22 22 LYS H H 57 8.987 8.987 8.503 0.484 17578 7511 1 14 . 1 1 23 23 ARG N N 58 122.011 122.011 120.750 1.261 17578 7512 1 14 . 1 1 23 23 ARG HA H 58 4.837 4.837 4.746 0.091 17578 7513 1 14 . 1 1 23 23 ARG C C 58 175.930 175.930 175.512 0.418 17578 7514 1 14 . 1 1 23 23 ARG CA C 58 55.872 55.872 55.309 0.563 17578 7515 1 14 . 1 1 23 23 ARG CB C 58 33.513 33.513 32.104 1.409 17578 7516 1 14 . 1 1 23 23 ARG H H 58 9.024 9.024 8.674 0.350 17578 7517 1 14 . 1 1 24 24 GLY N N 59 111.007 111.007 112.113 -1.106 17578 7518 1 14 . 1 1 24 24 GLY CA C 59 44.790 44.790 45.163 -0.372 17578 7519 1 14 . 1 1 24 24 GLY H H 59 8.315 8.315 8.654 -0.339 17578 7520 1 14 . 1 1 25 25 VAL N N 60 119.423 119.423 122.281 -2.858 17578 7521 1 14 . 1 1 25 25 VAL HA H 60 3.156 3.156 3.761 -0.605 17578 7522 1 14 . 1 1 25 25 VAL C C 60 176.562 176.562 176.852 -0.290 17578 7523 1 14 . 1 1 25 25 VAL CA C 60 68.037 68.037 65.496 2.541 17578 7524 1 14 . 1 1 25 25 VAL CB C 60 32.050 32.050 32.356 -0.306 17578 7525 1 14 . 1 1 25 25 VAL H H 60 8.152 8.152 8.617 -0.465 17578 7526 1 14 . 1 1 26 26 LYS N N 61 117.316 117.316 119.241 -1.925 17578 7527 1 14 . 1 1 26 26 LYS HA H 61 3.919 3.919 4.053 -0.134 17578 7528 1 14 . 1 1 26 26 LYS C C 61 180.130 180.130 178.461 1.669 17578 7529 1 14 . 1 1 26 26 LYS CA C 61 60.157 60.157 59.597 0.560 17578 7530 1 14 . 1 1 26 26 LYS CB C 61 32.041 32.041 31.942 0.099 17578 7531 1 14 . 1 1 26 26 LYS H H 61 8.156 8.156 8.603 -0.447 17578 7532 1 14 . 1 1 27 27 GLU N N 62 117.535 117.535 118.492 -0.957 17578 7533 1 14 . 1 1 27 27 GLU HA H 62 3.961 3.961 4.190 -0.229 17578 7534 1 14 . 1 1 27 27 GLU CA C 62 58.787 58.787 59.191 -0.404 17578 7535 1 14 . 1 1 27 27 GLU CB C 62 29.843 29.843 29.117 0.726 17578 7536 1 14 . 1 1 27 27 GLU H H 62 8.531 8.531 7.581 0.950 17578 7537 1 14 . 1 1 28 28 VAL N N 63 120.589 120.589 118.088 2.501 17578 7538 1 14 . 1 1 28 28 VAL HA H 63 3.498 3.498 2.754 0.744 17578 7539 1 14 . 1 1 28 28 VAL CA C 63 68.099 68.099 65.398 2.701 17578 7540 1 14 . 1 1 28 28 VAL CB C 63 31.376 31.376 30.870 0.506 17578 7541 1 14 . 1 1 28 28 VAL H H 63 8.255 8.255 7.978 0.277 17578 7542 1 14 . 1 1 29 29 VAL N N 64 118.570 118.570 121.122 -2.552 17578 7543 1 14 . 1 1 29 29 VAL HA H 64 3.359 3.359 3.494 -0.135 17578 7544 1 14 . 1 1 29 29 VAL C C 64 177.549 177.549 177.527 0.022 17578 7545 1 14 . 1 1 29 29 VAL CA C 64 67.456 67.456 66.690 0.766 17578 7546 1 14 . 1 1 29 29 VAL CB C 64 31.233 31.233 30.903 0.330 17578 7547 1 14 . 1 1 29 29 VAL H H 64 8.535 8.535 7.947 0.588 17578 7548 1 14 . 1 1 30 30 LYS N N 65 117.926 117.926 120.132 -2.206 17578 7549 1 14 . 1 1 30 30 LYS HA H 65 3.875 3.875 3.864 0.011 17578 7550 1 14 . 1 1 30 30 LYS CA C 65 59.811 59.811 59.832 -0.021 17578 7551 1 14 . 1 1 30 30 LYS CB C 65 32.715 32.715 32.414 0.301 17578 7552 1 14 . 1 1 30 30 LYS H H 65 7.538 7.538 7.819 -0.281 17578 7553 1 14 . 1 1 31 31 ALA N N 66 120.475 120.475 120.882 -0.407 17578 7554 1 14 . 1 1 31 31 ALA HA H 66 4.071 4.071 4.158 -0.087 17578 7555 1 14 . 1 1 31 31 ALA C C 66 179.596 179.596 179.619 -0.023 17578 7556 1 14 . 1 1 31 31 ALA CA C 66 55.051 55.051 54.752 0.299 17578 7557 1 14 . 1 1 31 31 ALA CB C 66 18.901 18.901 18.121 0.780 17578 7558 1 14 . 1 1 31 31 ALA H H 66 7.496 7.496 7.893 -0.397 17578 7559 1 14 . 1 1 32 32 LEU N N 67 119.357 119.357 119.869 -0.512 17578 7560 1 14 . 1 1 32 32 LEU HA H 67 3.854 3.854 3.994 -0.140 17578 7561 1 14 . 1 1 32 32 LEU CA C 67 57.859 57.859 57.350 0.509 17578 7562 1 14 . 1 1 32 32 LEU CB C 67 42.442 42.442 42.101 0.341 17578 7563 1 14 . 1 1 32 32 LEU H H 67 8.376 8.376 7.732 0.644 17578 7564 1 14 . 1 1 33 33 ARG N N 68 116.045 116.045 117.033 -0.988 17578 7565 1 14 . 1 1 33 33 ARG HA H 68 3.802 3.802 4.118 -0.316 17578 7566 1 14 . 1 1 33 33 ARG CA C 68 59.306 59.306 56.987 2.319 17578 7567 1 14 . 1 1 33 33 ARG CB C 68 29.759 29.759 30.122 -0.363 17578 7568 1 14 . 1 1 33 33 ARG H H 68 8.091 8.091 7.873 0.218 17578 7569 1 14 . 1 1 34 34 LYS N N 69 117.845 117.845 117.670 0.175 17578 7570 1 14 . 1 1 34 34 LYS HA H 69 4.255 4.255 4.212 0.043 17578 7571 1 14 . 1 1 34 34 LYS C C 69 176.831 176.831 177.617 -0.786 17578 7572 1 14 . 1 1 34 34 LYS CA C 69 56.548 56.548 57.135 -0.587 17578 7573 1 14 . 1 1 34 34 LYS CB C 69 32.710 32.710 33.381 -0.671 17578 7574 1 14 . 1 1 34 34 LYS H H 69 7.616 7.616 7.824 -0.208 17578 7575 1 14 . 1 1 35 35 GLY N N 70 106.783 106.783 105.342 1.441 17578 7576 1 14 . 1 1 35 35 GLY CA C 70 45.537 45.537 45.039 0.498 17578 7577 1 14 . 1 1 35 35 GLY H H 70 7.739 7.739 8.187 -0.448 17578 7578 1 14 . 1 1 36 36 GLU N N 71 119.424 119.424 117.771 1.653 17578 7579 1 14 . 1 1 36 36 GLU HA H 71 4.226 4.226 4.425 -0.199 17578 7580 1 14 . 1 1 36 36 GLU C C 71 175.400 175.400 176.590 -1.190 17578 7581 1 14 . 1 1 36 36 GLU CA C 71 57.414 57.414 55.429 1.985 17578 7582 1 14 . 1 1 36 36 GLU CB C 71 29.442 29.442 30.601 -1.159 17578 7583 1 14 . 1 1 36 36 GLU H H 71 7.698 7.698 8.032 -0.334 17578 7584 1 14 . 1 1 37 37 LYS N N 72 118.290 118.290 122.482 -4.192 17578 7585 1 14 . 1 1 37 37 LYS HA H 72 4.903 4.903 4.275 0.628 17578 7586 1 14 . 1 1 37 37 LYS C C 72 175.809 175.809 176.579 -0.770 17578 7587 1 14 . 1 1 37 37 LYS CA C 72 53.791 53.791 57.676 -3.885 17578 7588 1 14 . 1 1 37 37 LYS CB C 72 34.781 34.781 32.702 2.079 17578 7589 1 14 . 1 1 37 37 LYS H H 72 8.223 8.223 7.395 0.828 17578 7590 1 14 . 1 1 38 38 GLY N N 73 104.682 104.682 112.729 -8.047 17578 7591 1 14 . 1 1 38 38 GLY C C 73 171.884 171.884 174.029 -2.145 17578 7592 1 14 . 1 1 38 38 GLY CA C 73 46.360 46.360 45.106 1.254 17578 7593 1 14 . 1 1 38 38 GLY H H 73 7.217 7.217 8.364 -1.147 17578 7594 1 14 . 1 1 39 39 LEU N N 74 125.372 125.372 121.865 3.507 17578 7595 1 14 . 1 1 39 39 LEU HA H 74 4.994 4.994 4.818 0.176 17578 7596 1 14 . 1 1 39 39 LEU C C 74 174.380 174.380 175.856 -1.476 17578 7597 1 14 . 1 1 39 39 LEU CA C 74 54.363 54.363 53.285 1.078 17578 7598 1 14 . 1 1 39 39 LEU CB C 74 47.028 47.028 43.739 3.289 17578 7599 1 14 . 1 1 39 39 LEU H H 74 8.945 8.945 8.385 0.560 17578 7600 1 14 . 1 1 40 40 VAL N N 75 130.967 130.967 125.003 5.964 17578 7601 1 14 . 1 1 40 40 VAL HA H 75 4.644 4.644 4.262 0.382 17578 7602 1 14 . 1 1 40 40 VAL C C 75 173.667 173.667 174.922 -1.255 17578 7603 1 14 . 1 1 40 40 VAL CA C 75 62.273 62.273 62.511 -0.238 17578 7604 1 14 . 1 1 40 40 VAL CB C 75 32.591 32.591 32.329 0.262 17578 7605 1 14 . 1 1 40 40 VAL H H 75 8.551 8.551 8.569 -0.018 17578 7606 1 14 . 1 1 41 41 VAL N N 76 127.493 127.493 128.485 -0.992 17578 7607 1 14 . 1 1 41 41 VAL HA H 76 4.660 4.660 4.317 0.343 17578 7608 1 14 . 1 1 41 41 VAL C C 76 173.669 173.669 174.594 -0.925 17578 7609 1 14 . 1 1 41 41 VAL CA C 76 60.899 60.899 61.483 -0.585 17578 7610 1 14 . 1 1 41 41 VAL CB C 76 33.346 33.346 33.322 0.024 17578 7611 1 14 . 1 1 41 41 VAL H H 76 8.804 8.804 9.191 -0.387 17578 7612 1 14 . 1 1 42 42 ILE N N 77 125.646 125.646 126.916 -1.270 17578 7613 1 14 . 1 1 42 42 ILE HA H 77 4.444 4.444 4.384 0.060 17578 7614 1 14 . 1 1 42 42 ILE C C 77 174.817 174.817 174.154 0.663 17578 7615 1 14 . 1 1 42 42 ILE CA C 77 59.700 59.700 58.261 1.439 17578 7616 1 14 . 1 1 42 42 ILE CB C 77 39.977 39.977 39.240 0.737 17578 7617 1 14 . 1 1 42 42 ILE H H 77 8.613 8.613 8.402 0.211 17578 7618 1 14 . 1 1 43 43 ALA N N 78 128.691 128.691 129.134 -0.443 17578 7619 1 14 . 1 1 43 43 ALA HA H 78 4.459 4.459 5.220 -0.761 17578 7620 1 14 . 1 1 43 43 ALA C C 78 177.584 177.584 178.323 -0.739 17578 7621 1 14 . 1 1 43 43 ALA CA C 78 52.372 52.372 50.239 2.133 17578 7622 1 14 . 1 1 43 43 ALA CB C 78 19.504 19.504 19.648 -0.144 17578 7623 1 14 . 1 1 43 43 ALA H H 78 8.565 8.565 7.980 0.585 17578 7624 1 14 . 1 1 44 44 GLY N N 79 103.957 103.957 109.287 -5.330 17578 7625 1 14 . 1 1 44 44 GLY C C 79 173.252 173.252 174.188 -0.936 17578 7626 1 14 . 1 1 44 44 GLY CA C 79 45.764 45.764 45.757 0.007 17578 7627 1 14 . 1 1 44 44 GLY H H 79 9.083 9.083 8.880 0.203 17578 7628 1 14 . 1 1 45 45 ASP N N 80 118.632 118.632 120.768 -2.136 17578 7629 1 14 . 1 1 45 45 ASP HA H 80 4.918 4.918 4.978 -0.060 17578 7630 1 14 . 1 1 45 45 ASP CA C 80 52.689 52.689 54.027 -1.338 17578 7631 1 14 . 1 1 45 45 ASP CB C 80 39.118 39.118 40.998 -1.881 17578 7632 1 14 . 1 1 45 45 ASP H H 80 8.695 8.695 8.295 0.400 17578 7633 1 14 . 1 1 46 46 ILE N N 81 117.935 117.935 119.140 -1.205 17578 7634 1 14 . 1 1 46 46 ILE HA H 81 4.179 4.179 4.485 -0.306 17578 7635 1 14 . 1 1 46 46 ILE C C 81 172.890 172.890 174.011 -1.121 17578 7636 1 14 . 1 1 46 46 ILE CA C 81 59.242 59.242 60.079 -0.837 17578 7637 1 14 . 1 1 46 46 ILE CB C 81 39.253 39.253 41.681 -2.428 17578 7638 1 14 . 1 1 46 46 ILE H H 81 6.730 6.730 7.561 -0.831 17578 7639 1 14 . 1 1 47 47 TRP N N 82 123.585 123.585 126.404 -2.819 17578 7640 1 14 . 1 1 47 47 TRP HA H 82 4.587 4.587 5.210 -0.623 17578 7641 1 14 . 1 1 47 47 TRP CA C 82 55.386 55.386 54.346 1.040 17578 7642 1 14 . 1 1 47 47 TRP CB C 82 32.147 32.147 28.983 3.164 17578 7643 1 14 . 1 1 47 47 TRP H H 82 7.804 7.804 8.338 -0.534 17578 7644 1 14 . 1 1 48 48 PRO HA H 83 4.248 4.248 4.643 -0.395 17578 7645 1 14 . 1 1 48 48 PRO CA C 83 62.712 62.712 62.158 0.554 17578 7646 1 14 . 1 1 48 48 PRO CB C 83 34.011 34.011 32.466 1.545 17578 7647 1 14 . 1 1 49 49 ALA N N 84 121.827 121.827 119.986 1.841 17578 7648 1 14 . 1 1 49 49 ALA HA H 84 3.969 3.969 4.230 -0.261 17578 7649 1 14 . 1 1 49 49 ALA CA C 84 54.183 54.183 52.636 1.547 17578 7650 1 14 . 1 1 49 49 ALA CB C 84 19.404 19.404 18.515 0.889 17578 7651 1 14 . 1 1 49 49 ALA H H 84 8.198 8.198 8.493 -0.295 17578 7652 1 14 . 1 1 50 50 ASP N N 85 114.049 114.049 119.945 -5.896 17578 7653 1 14 . 1 1 50 50 ASP HA H 85 4.301 4.301 4.228 0.073 17578 7654 1 14 . 1 1 50 50 ASP C C 85 177.428 177.428 177.762 -0.334 17578 7655 1 14 . 1 1 50 50 ASP CA C 85 55.777 55.777 56.800 -1.023 17578 7656 1 14 . 1 1 50 50 ASP CB C 85 40.060 40.060 40.107 -0.047 17578 7657 1 14 . 1 1 50 50 ASP H H 85 8.008 8.008 8.516 -0.508 17578 7658 1 14 . 1 1 51 51 VAL N N 86 116.790 116.790 116.541 0.249 17578 7659 1 14 . 1 1 51 51 VAL HA H 86 3.841 3.841 3.587 0.254 17578 7660 1 14 . 1 1 51 51 VAL C C 86 176.231 176.231 177.239 -1.008 17578 7661 1 14 . 1 1 51 51 VAL CA C 86 65.332 65.332 64.851 0.481 17578 7662 1 14 . 1 1 51 51 VAL CB C 86 32.123 32.123 30.640 1.483 17578 7663 1 14 . 1 1 51 51 VAL H H 86 7.542 7.542 7.296 0.246 17578 7664 1 14 . 1 1 52 52 ILE N N 87 107.529 107.529 120.009 -12.480 17578 7665 1 14 . 1 1 52 52 ILE HA H 87 4.638 4.638 3.766 0.872 17578 7666 1 14 . 1 1 52 52 ILE C C 87 178.026 178.026 177.956 0.070 17578 7667 1 14 . 1 1 52 52 ILE CA C 87 59.806 59.806 63.679 -3.873 17578 7668 1 14 . 1 1 52 52 ILE CB C 87 40.742 40.742 36.319 4.423 17578 7669 1 14 . 1 1 52 52 ILE H H 87 7.310 7.310 8.431 -1.121 17578 7670 1 14 . 1 1 53 53 SER N N 88 116.004 116.004 115.168 0.836 17578 7671 1 14 . 1 1 53 53 SER HA H 88 4.566 4.566 4.398 0.168 17578 7672 1 14 . 1 1 53 53 SER CA C 88 61.760 61.760 60.617 1.143 17578 7673 1 14 . 1 1 53 53 SER CB C 88 62.391 62.391 63.991 -1.600 17578 7674 1 14 . 1 1 53 53 SER H H 88 7.827 7.827 8.092 -0.265 17578 7675 1 14 . 1 1 54 54 HIS HA H 89 4.572 4.572 4.354 0.218 17578 7676 1 14 . 1 1 54 54 HIS CA C 89 56.789 56.789 58.151 -1.362 17578 7677 1 14 . 1 1 54 54 HIS CB C 89 30.527 30.527 29.881 0.646 17578 7678 1 14 . 1 1 55 55 ILE N N 90 120.579 120.579 121.252 -0.673 17578 7679 1 14 . 1 1 55 55 ILE HA H 90 3.512 3.512 3.795 -0.283 17578 7680 1 14 . 1 1 55 55 ILE CA C 90 65.424 65.424 67.105 -1.681 17578 7681 1 14 . 1 1 55 55 ILE CB C 90 34.176 34.176 36.024 -1.848 17578 7682 1 14 . 1 1 55 55 ILE H H 90 7.764 7.764 8.111 -0.347 17578 7683 1 14 . 1 1 56 56 PRO HA H 91 2.942 2.942 4.396 -1.454 17578 7684 1 14 . 1 1 56 56 PRO C C 91 177.032 177.032 178.900 -1.868 17578 7685 1 14 . 1 1 56 56 PRO CA C 91 66.842 66.842 65.833 1.009 17578 7686 1 14 . 1 1 56 56 PRO CB C 91 31.206 31.206 31.465 -0.259 17578 7687 1 14 . 1 1 57 57 VAL N N 92 114.379 114.379 119.361 -4.982 17578 7688 1 14 . 1 1 57 57 VAL HA H 92 3.574 3.574 3.781 -0.207 17578 7689 1 14 . 1 1 57 57 VAL CA C 92 65.900 65.900 66.527 -0.627 17578 7690 1 14 . 1 1 57 57 VAL CB C 92 31.600 31.600 31.986 -0.386 17578 7691 1 14 . 1 1 57 57 VAL H H 92 6.497 6.497 7.730 -1.233 17578 7692 1 14 . 1 1 58 58 LEU N N 93 120.522 120.522 119.822 0.700 17578 7693 1 14 . 1 1 58 58 LEU HA H 93 4.227 4.227 4.199 0.028 17578 7694 1 14 . 1 1 58 58 LEU C C 93 180.251 180.251 178.260 1.991 17578 7695 1 14 . 1 1 58 58 LEU CA C 93 57.838 57.838 58.140 -0.302 17578 7696 1 14 . 1 1 58 58 LEU CB C 93 43.172 43.172 41.423 1.749 17578 7697 1 14 . 1 1 58 58 LEU H H 93 7.460 7.460 7.732 -0.272 17578 7698 1 14 . 1 1 59 59 CYS N N 94 117.195 117.195 118.528 -1.333 17578 7699 1 14 . 1 1 59 59 CYS HA H 94 3.867 3.867 4.254 -0.387 17578 7700 1 14 . 1 1 59 59 CYS C C 94 176.362 176.362 176.678 -0.316 17578 7701 1 14 . 1 1 59 59 CYS CA C 94 65.379 65.379 63.391 1.988 17578 7702 1 14 . 1 1 59 59 CYS CB C 94 26.344 26.344 27.907 -1.563 17578 7703 1 14 . 1 1 59 59 CYS H H 94 8.335 8.335 8.098 0.237 17578 7704 1 14 . 1 1 60 60 GLU N N 95 120.777 120.777 119.571 1.206 17578 7705 1 14 . 1 1 60 60 GLU HA H 95 4.209 4.209 4.134 0.075 17578 7706 1 14 . 1 1 60 60 GLU CA C 95 59.760 59.760 58.637 1.123 17578 7707 1 14 . 1 1 60 60 GLU CB C 95 29.201 29.201 29.301 -0.100 17578 7708 1 14 . 1 1 60 60 GLU H H 95 8.235 8.235 8.202 0.033 17578 7709 1 14 . 1 1 61 61 ASP N N 96 120.910 120.910 117.554 3.356 17578 7710 1 14 . 1 1 61 61 ASP HA H 96 4.292 4.292 4.514 -0.222 17578 7711 1 14 . 1 1 61 61 ASP C C 96 177.890 177.890 177.315 0.575 17578 7712 1 14 . 1 1 61 61 ASP CA C 96 57.235 57.235 55.734 1.501 17578 7713 1 14 . 1 1 61 61 ASP CB C 96 40.580 40.580 41.648 -1.068 17578 7714 1 14 . 1 1 61 61 ASP H H 96 8.509 8.509 7.802 0.707 17578 7715 1 14 . 1 1 62 62 HIS N N 97 115.923 115.923 118.967 -3.044 17578 7716 1 14 . 1 1 62 62 HIS HA H 97 4.495 4.495 4.632 -0.137 17578 7717 1 14 . 1 1 62 62 HIS C C 97 173.548 173.548 174.753 -1.205 17578 7718 1 14 . 1 1 62 62 HIS CA C 97 57.290 57.290 55.965 1.325 17578 7719 1 14 . 1 1 62 62 HIS CB C 97 29.997 29.997 32.746 -2.749 17578 7720 1 14 . 1 1 62 62 HIS H H 97 7.635 7.635 8.013 -0.378 17578 7721 1 14 . 1 1 63 63 SER N N 98 114.634 114.634 113.282 1.352 17578 7722 1 14 . 1 1 63 63 SER HA H 98 4.489 4.489 4.091 0.398 17578 7723 1 14 . 1 1 63 63 SER C C 98 173.949 173.949 172.374 1.575 17578 7724 1 14 . 1 1 63 63 SER CA C 98 58.842 58.842 58.797 0.045 17578 7725 1 14 . 1 1 63 63 SER CB C 98 61.396 61.396 62.599 -1.203 17578 7726 1 14 . 1 1 63 63 SER H H 98 7.888 7.888 7.818 0.070 17578 7727 1 14 . 1 1 64 64 VAL N N 99 123.090 123.090 123.259 -0.169 17578 7728 1 14 . 1 1 64 64 VAL HA H 99 4.721 4.721 4.228 0.493 17578 7729 1 14 . 1 1 64 64 VAL CA C 99 58.978 58.978 58.587 0.391 17578 7730 1 14 . 1 1 64 64 VAL CB C 99 35.228 35.228 34.627 0.601 17578 7731 1 14 . 1 1 64 64 VAL H H 99 8.590 8.590 7.730 0.860 17578 7732 1 14 . 1 1 65 65 PRO HA H 100 4.263 4.263 4.047 0.216 17578 7733 1 14 . 1 1 65 65 PRO C C 100 173.191 173.191 175.411 -2.220 17578 7734 1 14 . 1 1 65 65 PRO CA C 100 63.427 63.427 62.499 0.928 17578 7735 1 14 . 1 1 65 65 PRO CB C 100 31.863 31.863 32.108 -0.245 17578 7736 1 14 . 1 1 66 66 TYR N N 101 114.702 114.702 119.403 -4.701 17578 7737 1 14 . 1 1 66 66 TYR HA H 101 5.925 5.925 5.626 0.299 17578 7738 1 14 . 1 1 66 66 TYR CA C 101 53.501 53.501 55.165 -1.664 17578 7739 1 14 . 1 1 66 66 TYR CB C 101 41.793 41.793 41.736 0.056 17578 7740 1 14 . 1 1 66 66 TYR H H 101 6.243 6.243 7.548 -1.305 17578 7741 1 14 . 1 1 67 67 ILE N N 102 111.885 111.885 115.922 -4.037 17578 7742 1 14 . 1 1 67 67 ILE HA H 102 4.502 4.502 4.454 0.048 17578 7743 1 14 . 1 1 67 67 ILE C C 102 172.358 172.358 174.052 -1.694 17578 7744 1 14 . 1 1 67 67 ILE CA C 102 55.442 55.442 60.655 -5.213 17578 7745 1 14 . 1 1 67 67 ILE CB C 102 43.124 43.124 42.660 0.464 17578 7746 1 14 . 1 1 67 67 ILE H H 102 7.986 7.986 8.367 -0.381 17578 7747 1 14 . 1 1 68 68 PHE N N 103 122.274 122.274 126.679 -4.405 17578 7748 1 14 . 1 1 68 68 PHE HA H 103 5.087 5.087 4.888 0.199 17578 7749 1 14 . 1 1 68 68 PHE C C 103 176.173 176.173 174.796 1.377 17578 7750 1 14 . 1 1 68 68 PHE CA C 103 56.103 56.103 57.599 -1.496 17578 7751 1 14 . 1 1 68 68 PHE CB C 103 39.891 39.891 40.069 -0.178 17578 7752 1 14 . 1 1 68 68 PHE H H 103 8.108 8.108 8.503 -0.395 17578 7753 1 14 . 1 1 69 69 ILE N N 104 114.613 114.613 122.276 -7.663 17578 7754 1 14 . 1 1 69 69 ILE HA H 104 4.927 4.927 4.887 0.040 17578 7755 1 14 . 1 1 69 69 ILE CA C 104 57.831 57.831 57.694 0.137 17578 7756 1 14 . 1 1 69 69 ILE CB C 104 38.302 38.302 40.119 -1.817 17578 7757 1 14 . 1 1 69 69 ILE H H 104 8.843 8.843 8.569 0.274 17578 7758 1 14 . 1 1 70 70 PRO HA H 105 4.093 4.093 4.768 -0.675 17578 7759 1 14 . 1 1 70 70 PRO CA C 105 66.439 66.439 62.950 3.489 17578 7760 1 14 . 1 1 70 70 PRO CB C 105 32.879 32.879 32.767 0.112 17578 7761 1 14 . 1 1 71 71 SER N N 106 106.896 106.896 110.606 -3.710 17578 7762 1 14 . 1 1 71 71 SER HA H 106 5.227 5.227 4.555 0.672 17578 7763 1 14 . 1 1 71 71 SER CA C 106 55.373 55.373 59.656 -4.282 17578 7764 1 14 . 1 1 71 71 SER CB C 106 64.696 64.696 64.220 0.476 17578 7765 1 14 . 1 1 71 71 SER H H 106 7.548 7.548 8.264 -0.716 17578 7766 1 14 . 1 1 72 72 LYS N N 107 119.881 119.881 121.981 -2.100 17578 7767 1 14 . 1 1 72 72 LYS HA H 107 4.191 4.191 3.960 0.231 17578 7768 1 14 . 1 1 72 72 LYS CA C 107 58.623 58.623 60.123 -1.500 17578 7769 1 14 . 1 1 72 72 LYS CB C 107 30.957 30.957 32.035 -1.078 17578 7770 1 14 . 1 1 72 72 LYS H H 107 8.328 8.328 8.640 -0.312 17578 7771 1 14 . 1 1 73 73 GLN N N 108 123.720 123.720 117.040 6.680 17578 7772 1 14 . 1 1 73 73 GLN HA H 108 4.013 4.013 4.210 -0.197 17578 7773 1 14 . 1 1 73 73 GLN CA C 108 58.621 58.621 58.606 0.015 17578 7774 1 14 . 1 1 73 73 GLN CB C 108 28.331 28.331 27.947 0.384 17578 7775 1 14 . 1 1 73 73 GLN H H 108 8.543 8.543 8.446 0.097 17578 7776 1 14 . 1 1 74 74 ASP N N 109 121.068 121.068 120.220 0.848 17578 7777 1 14 . 1 1 74 74 ASP HA H 109 4.353 4.353 4.326 0.027 17578 7778 1 14 . 1 1 74 74 ASP CA C 109 56.941 56.941 57.819 -0.878 17578 7779 1 14 . 1 1 74 74 ASP CB C 109 40.403 40.403 40.547 -0.144 17578 7780 1 14 . 1 1 74 74 ASP H H 109 7.998 7.998 8.726 -0.728 17578 7781 1 14 . 1 1 75 75 LEU N N 110 120.670 120.670 119.986 0.684 17578 7782 1 14 . 1 1 75 75 LEU HA H 110 3.967 3.967 4.181 -0.214 17578 7783 1 14 . 1 1 75 75 LEU C C 110 178.753 178.753 179.241 -0.488 17578 7784 1 14 . 1 1 75 75 LEU CA C 110 57.080 57.080 56.933 0.147 17578 7785 1 14 . 1 1 75 75 LEU CB C 110 41.235 41.235 42.011 -0.776 17578 7786 1 14 . 1 1 75 75 LEU H H 110 7.999 7.999 7.666 0.333 17578 7787 1 14 . 1 1 76 76 GLY N N 111 105.512 105.512 106.992 -1.480 17578 7788 1 14 . 1 1 76 76 GLY C C 111 175.517 175.517 174.593 0.924 17578 7789 1 14 . 1 1 76 76 GLY CA C 111 46.745 46.745 47.519 -0.774 17578 7790 1 14 . 1 1 76 76 GLY H H 111 8.012 8.012 8.332 -0.320 17578 7791 1 14 . 1 1 77 77 ALA N N 112 122.891 122.891 123.050 -0.159 17578 7792 1 14 . 1 1 77 77 ALA HA H 112 4.180 4.180 4.318 -0.138 17578 7793 1 14 . 1 1 77 77 ALA CA C 112 53.652 53.652 53.612 0.040 17578 7794 1 14 . 1 1 77 77 ALA CB C 112 18.482 18.482 18.630 -0.148 17578 7795 1 14 . 1 1 77 77 ALA H H 112 7.785 7.785 7.902 -0.117 17578 7796 1 14 . 1 1 78 78 ALA N N 113 121.205 121.205 120.079 1.126 17578 7797 1 14 . 1 1 78 78 ALA HA H 113 4.213 4.213 4.007 0.206 17578 7798 1 14 . 1 1 78 78 ALA CA C 113 53.503 53.503 54.331 -0.829 17578 7799 1 14 . 1 1 78 78 ALA CB C 113 18.897 18.897 19.099 -0.202 17578 7800 1 14 . 1 1 78 78 ALA H H 113 7.787 7.787 7.923 -0.136 17578 7801 1 14 . 1 1 79 79 GLY N N 114 104.082 104.082 103.852 0.230 17578 7802 1 14 . 1 1 79 79 GLY CA C 114 44.764 44.764 44.820 -0.056 17578 7803 1 14 . 1 1 79 79 GLY H H 114 7.756 7.756 8.181 -0.425 17578 7804 1 14 . 1 1 80 80 ALA HA H 115 4.061 4.061 4.392 -0.331 17578 7805 1 14 . 1 1 80 80 ALA CA C 115 53.192 53.192 51.492 1.700 17578 7806 1 14 . 1 1 80 80 ALA CB C 115 19.493 19.493 19.364 0.129 17578 7807 1 14 . 1 1 81 81 THR N N 116 116.258 116.258 112.953 3.305 17578 7808 1 14 . 1 1 81 81 THR CA C 116 57.223 57.223 62.028 -4.804 17578 7809 1 14 . 1 1 81 81 THR CB C 116 64.784 64.784 69.351 -4.567 17578 7810 1 14 . 1 1 81 81 THR H H 116 8.121 8.121 8.358 -0.237 17578 7811 1 14 . 1 1 83 83 ARG N N 118 122.269 122.269 119.690 2.579 17578 7812 1 14 . 1 1 83 83 ARG H H 118 8.128 8.128 8.283 -0.155 17578 7813 1 14 . 1 1 85 85 THR N N 120 120.171 120.171 116.430 3.741 17578 7814 1 14 . 1 1 85 85 THR C C 120 172.729 172.729 173.792 -1.063 17578 7815 1 14 . 1 1 85 85 THR H H 120 8.127 8.127 8.174 -0.047 17578 7816 1 14 . 1 1 86 86 SER N N 121 115.808 115.808 115.652 0.156 17578 7817 1 14 . 1 1 86 86 SER HA H 121 4.280 4.280 4.678 -0.398 17578 7818 1 14 . 1 1 86 86 SER CA C 121 59.573 59.573 59.069 0.504 17578 7819 1 14 . 1 1 86 86 SER CB C 121 64.384 64.384 64.446 -0.062 17578 7820 1 14 . 1 1 86 86 SER H H 121 7.045 7.045 8.399 -1.354 17578 7821 1 14 . 1 1 87 87 VAL N N 122 115.790 115.790 117.985 -2.195 17578 7822 1 14 . 1 1 87 87 VAL HA H 122 5.203 5.203 4.515 0.688 17578 7823 1 14 . 1 1 87 87 VAL CA C 122 59.412 59.412 60.958 -1.546 17578 7824 1 14 . 1 1 87 87 VAL CB C 122 32.729 32.729 31.946 0.783 17578 7825 1 14 . 1 1 87 87 VAL H H 122 7.082 7.082 7.761 -0.679 17578 7826 1 14 . 1 1 88 88 VAL N N 123 119.313 119.313 119.927 -0.614 17578 7827 1 14 . 1 1 88 88 VAL HA H 123 5.097 5.097 4.867 0.230 17578 7828 1 14 . 1 1 88 88 VAL C C 123 172.990 172.990 173.709 -0.719 17578 7829 1 14 . 1 1 88 88 VAL CA C 123 58.925 58.925 59.926 -1.001 17578 7830 1 14 . 1 1 88 88 VAL CB C 123 35.929 35.929 35.437 0.492 17578 7831 1 14 . 1 1 88 88 VAL H H 123 8.948 8.948 8.475 0.473 17578 7832 1 14 . 1 1 89 89 PHE N N 124 122.616 122.616 122.894 -0.278 17578 7833 1 14 . 1 1 89 89 PHE HA H 124 5.641 5.641 5.505 0.136 17578 7834 1 14 . 1 1 89 89 PHE C C 124 174.686 174.686 173.444 1.242 17578 7835 1 14 . 1 1 89 89 PHE CA C 124 52.579 52.579 55.021 -2.442 17578 7836 1 14 . 1 1 89 89 PHE CB C 124 42.392 42.392 42.523 -0.131 17578 7837 1 14 . 1 1 89 89 PHE H H 124 9.065 9.065 8.890 0.175 17578 7838 1 14 . 1 1 90 90 ILE N N 125 127.599 127.599 123.524 4.075 17578 7839 1 14 . 1 1 90 90 ILE HA H 125 4.268 4.268 3.997 0.271 17578 7840 1 14 . 1 1 90 90 ILE C C 125 173.652 173.652 175.079 -1.427 17578 7841 1 14 . 1 1 90 90 ILE CA C 125 61.605 61.605 60.554 1.051 17578 7842 1 14 . 1 1 90 90 ILE CB C 125 39.533 39.533 38.022 1.511 17578 7843 1 14 . 1 1 90 90 ILE H H 125 9.498 9.498 9.068 0.430 17578 7844 1 14 . 1 1 91 91 VAL N N 126 126.693 126.693 127.069 -0.376 17578 7845 1 14 . 1 1 91 91 VAL HA H 126 4.595 4.595 4.667 -0.072 17578 7846 1 14 . 1 1 91 91 VAL CA C 126 58.380 58.380 58.088 0.292 17578 7847 1 14 . 1 1 91 91 VAL CB C 126 32.597 32.597 30.889 1.708 17578 7848 1 14 . 1 1 91 91 VAL H H 126 8.169 8.169 8.037 0.132 17578 7849 1 14 . 1 1 92 92 PRO HA H 127 4.044 4.044 4.422 -0.378 17578 7850 1 14 . 1 1 92 92 PRO CA C 127 63.380 63.380 63.298 0.082 17578 7851 1 14 . 1 1 92 92 PRO CB C 127 31.735 31.735 31.798 -0.063 17578 7852 1 14 . 1 1 93 93 GLY N N 128 108.589 108.589 107.835 0.754 17578 7853 1 14 . 1 1 93 93 GLY CA C 128 45.443 45.443 45.105 0.339 17578 7854 1 14 . 1 1 93 93 GLY H H 128 8.022 8.022 8.119 -0.097 17578 7855 1 14 . 1 1 94 94 SER N N 129 113.115 113.115 118.697 -5.582 17578 7856 1 14 . 1 1 94 94 SER H H 129 7.992 7.992 8.436 -0.444 17578 7857 1 14 . 1 1 95 95 ASN N N 130 120.738 120.738 120.403 0.335 17578 7858 1 14 . 1 1 95 95 ASN C C 130 178.419 178.419 178.014 0.405 17578 7859 1 14 . 1 1 95 95 ASN CA C 130 57.337 57.337 55.956 1.381 17578 7860 1 14 . 1 1 95 95 ASN CB C 130 41.958 41.958 37.767 4.191 17578 7861 1 14 . 1 1 95 95 ASN H H 130 8.313 8.313 8.620 -0.307 17578 7862 1 14 . 1 1 96 96 LYS N N 131 119.159 119.159 119.091 0.068 17578 7863 1 14 . 1 1 96 96 LYS HA H 131 4.021 4.021 4.336 -0.315 17578 7864 1 14 . 1 1 96 96 LYS CA C 131 58.749 58.749 57.201 1.548 17578 7865 1 14 . 1 1 96 96 LYS CB C 131 29.565 29.565 32.779 -3.214 17578 7866 1 14 . 1 1 96 96 LYS H H 131 7.881 7.881 7.855 0.026 17578 7867 1 14 . 1 1 97 97 LYS N N 132 117.399 117.399 121.216 -3.817 17578 7868 1 14 . 1 1 97 97 LYS CA C 132 58.413 58.413 59.649 -1.236 17578 7869 1 14 . 1 1 97 97 LYS CB C 132 30.694 30.694 32.470 -1.776 17578 7870 1 14 . 1 1 97 97 LYS H H 132 7.765 7.765 8.380 -0.615 17578 7871 1 14 . 1 1 98 98 LYS N N 133 119.160 119.160 117.717 1.443 17578 7872 1 14 . 1 1 98 98 LYS CA C 133 58.266 58.266 59.119 -0.853 17578 7873 1 14 . 1 1 98 98 LYS CB C 133 30.981 30.981 32.482 -1.501 17578 7874 1 14 . 1 1 98 98 LYS H H 133 8.070 8.070 7.615 0.455 17578 7875 1 14 . 1 1 99 99 ASP N N 134 120.602 120.602 117.094 3.508 17578 7876 1 14 . 1 1 99 99 ASP CA C 134 55.586 55.586 53.257 2.329 17578 7877 1 14 . 1 1 99 99 ASP CB C 134 41.898 41.898 40.232 1.666 17578 7878 1 14 . 1 1 99 99 ASP H H 134 8.255 8.255 7.504 0.751 17578 7879 1 14 . 1 1 100 100 GLY N N 135 108.785 108.785 108.503 0.282 17578 7880 1 14 . 1 1 100 100 GLY CA C 135 45.536 45.536 45.050 0.486 17578 7881 1 14 . 1 1 100 100 GLY H H 135 8.451 8.451 7.787 0.664 17578 7882 1 14 . 1 1 101 101 LYS N N 136 120.171 120.171 119.860 0.311 17578 7883 1 14 . 1 1 101 101 LYS H H 136 8.127 8.127 8.080 0.047 17578 7884 1 14 . 1 1 102 102 ASN N N 137 118.588 118.588 117.681 0.907 17578 7885 1 14 . 1 1 102 102 ASN H H 137 8.481 8.481 8.625 -0.144 17578 7886 1 14 . 1 1 103 103 LYS N N 138 121.739 121.739 119.774 1.965 17578 7887 1 14 . 1 1 103 103 LYS HA H 138 4.241 4.241 3.974 0.267 17578 7888 1 14 . 1 1 103 103 LYS CA C 138 56.760 56.760 58.321 -1.561 17578 7889 1 14 . 1 1 103 103 LYS CB C 138 32.691 32.691 32.016 0.675 17578 7890 1 14 . 1 1 103 103 LYS H H 138 8.318 8.318 8.119 0.199 17578 7891 1 14 . 1 1 104 104 GLU N N 139 120.980 120.980 119.035 1.945 17578 7892 1 14 . 1 1 104 104 GLU CA C 139 57.235 57.235 59.889 -2.654 17578 7893 1 14 . 1 1 104 104 GLU CB C 139 29.893 29.893 29.259 0.634 17578 7894 1 14 . 1 1 104 104 GLU H H 139 8.478 8.478 8.411 0.067 17578 7895 1 14 . 1 1 107 107 TYR N N 142 119.214 119.214 119.520 -0.306 17578 7896 1 14 . 1 1 107 107 TYR HA H 142 5.023 5.023 4.044 0.979 17578 7897 1 14 . 1 1 107 107 TYR C C 142 175.419 175.419 178.304 -2.885 17578 7898 1 14 . 1 1 107 107 TYR CA C 142 57.200 57.200 60.349 -3.149 17578 7899 1 14 . 1 1 107 107 TYR CB C 142 39.165 39.165 37.830 1.335 17578 7900 1 14 . 1 1 107 107 TYR H H 142 7.992 7.992 8.673 -0.681 17578 7901 1 14 . 1 1 108 108 LYS N N 143 123.500 123.500 118.880 4.620 17578 7902 1 14 . 1 1 108 108 LYS HA H 143 3.628 3.628 3.883 -0.255 17578 7903 1 14 . 1 1 108 108 LYS CA C 143 59.619 59.619 59.718 -0.099 17578 7904 1 14 . 1 1 108 108 LYS CB C 143 31.869 31.869 32.141 -0.272 17578 7905 1 14 . 1 1 108 108 LYS H H 143 7.377 7.377 8.437 -1.060 17578 7906 1 14 . 1 1 109 109 GLU N N 144 118.669 118.669 119.075 -0.406 17578 7907 1 14 . 1 1 109 109 GLU HA H 144 4.735 4.735 4.029 0.706 17578 7908 1 14 . 1 1 109 109 GLU CA C 144 59.865 59.865 59.718 0.147 17578 7909 1 14 . 1 1 109 109 GLU CB C 144 29.004 29.004 29.325 -0.321 17578 7910 1 14 . 1 1 109 109 GLU H H 144 8.583 8.583 8.202 0.381 17578 7911 1 14 . 1 1 110 110 SER N N 145 116.081 116.081 115.167 0.914 17578 7912 1 14 . 1 1 110 110 SER HA H 145 4.448 4.448 4.261 0.187 17578 7913 1 14 . 1 1 110 110 SER CB C 145 64.178 64.178 63.175 1.003 17578 7914 1 14 . 1 1 110 110 SER H H 145 8.117 8.117 8.284 -0.167 17578 7915 1 14 . 1 1 111 111 PHE N N 146 122.134 122.134 123.343 -1.209 17578 7916 1 14 . 1 1 111 111 PHE HA H 146 4.022 4.022 4.204 -0.182 17578 7917 1 14 . 1 1 111 111 PHE C C 146 175.751 175.751 177.779 -2.028 17578 7918 1 14 . 1 1 111 111 PHE CA C 146 62.159 62.159 59.970 2.189 17578 7919 1 14 . 1 1 111 111 PHE CB C 146 39.533 39.533 38.346 1.187 17578 7920 1 14 . 1 1 111 111 PHE H H 146 8.553 8.553 8.231 0.322 17578 7921 1 14 . 1 1 112 112 ASN N N 147 117.856 117.856 117.606 0.250 17578 7922 1 14 . 1 1 112 112 ASN HA H 147 4.269 4.269 4.331 -0.062 17578 7923 1 14 . 1 1 112 112 ASN CA C 147 55.881 55.881 56.899 -1.018 17578 7924 1 14 . 1 1 112 112 ASN CB C 147 37.663 37.663 38.471 -0.808 17578 7925 1 14 . 1 1 112 112 ASN H H 147 8.809 8.809 8.742 0.067 17578 7926 1 14 . 1 1 113 113 GLU N N 148 119.708 119.708 120.528 -0.820 17578 7927 1 14 . 1 1 113 113 GLU HA H 148 4.021 4.021 4.103 -0.082 17578 7928 1 14 . 1 1 113 113 GLU CA C 148 59.385 59.385 59.081 0.304 17578 7929 1 14 . 1 1 113 113 GLU CB C 148 29.784 29.784 29.272 0.512 17578 7930 1 14 . 1 1 113 113 GLU H H 148 7.778 7.778 7.952 -0.174 17578 7931 1 14 . 1 1 114 114 VAL N N 149 119.680 119.680 119.386 0.294 17578 7932 1 14 . 1 1 114 114 VAL HA H 149 3.556 3.556 3.751 -0.195 17578 7933 1 14 . 1 1 114 114 VAL CA C 149 66.625 66.625 66.980 -0.355 17578 7934 1 14 . 1 1 114 114 VAL CB C 149 31.368 31.368 31.473 -0.105 17578 7935 1 14 . 1 1 114 114 VAL H H 149 8.023 8.023 8.206 -0.183 17578 7936 1 14 . 1 1 115 115 VAL N N 150 119.684 119.684 116.628 3.056 17578 7937 1 14 . 1 1 115 115 VAL HA H 150 3.163 3.163 3.731 -0.568 17578 7938 1 14 . 1 1 115 115 VAL C C 150 177.270 177.270 178.254 -0.984 17578 7939 1 14 . 1 1 115 115 VAL CA C 150 67.984 67.984 65.208 2.776 17578 7940 1 14 . 1 1 115 115 VAL CB C 150 30.848 30.848 30.323 0.525 17578 7941 1 14 . 1 1 115 115 VAL H H 150 8.480 8.480 8.620 -0.140 17578 7942 1 14 . 1 1 116 116 LYS N N 151 118.648 118.648 120.564 -1.916 17578 7943 1 14 . 1 1 116 116 LYS HA H 151 4.027 4.027 4.027 0.000 17578 7944 1 14 . 1 1 116 116 LYS CA C 151 59.691 59.691 59.203 0.488 17578 7945 1 14 . 1 1 116 116 LYS CB C 151 32.346 32.346 31.856 0.490 17578 7946 1 14 . 1 1 116 116 LYS H H 151 7.584 7.584 7.935 -0.351 17578 7947 1 14 . 1 1 117 117 GLU N N 152 120.177 120.177 120.314 -0.137 17578 7948 1 14 . 1 1 117 117 GLU HA H 152 4.046 4.046 4.025 0.021 17578 7949 1 14 . 1 1 117 117 GLU CA C 152 59.932 59.932 59.776 0.155 17578 7950 1 14 . 1 1 117 117 GLU CB C 152 29.663 29.663 29.709 -0.046 17578 7951 1 14 . 1 1 117 117 GLU H H 152 7.528 7.528 7.891 -0.363 17578 7952 1 14 . 1 1 118 118 VAL N N 153 120.413 120.413 120.104 0.309 17578 7953 1 14 . 1 1 118 118 VAL HA H 153 3.421 3.421 3.848 -0.427 17578 7954 1 14 . 1 1 118 118 VAL CA C 153 67.196 67.196 65.390 1.806 17578 7955 1 14 . 1 1 118 118 VAL CB C 153 31.600 31.600 31.772 -0.172 17578 7956 1 14 . 1 1 118 118 VAL H H 153 8.665 8.665 7.822 0.843 17578 7957 1 14 . 1 1 119 119 GLN N N 154 118.232 118.232 120.268 -2.036 17578 7958 1 14 . 1 1 119 119 GLN HA H 154 3.982 3.982 4.073 -0.091 17578 7959 1 14 . 1 1 119 119 GLN CA C 154 59.651 59.651 58.410 1.242 17578 7960 1 14 . 1 1 119 119 GLN CB C 154 28.478 28.478 28.822 -0.344 17578 7961 1 14 . 1 1 119 119 GLN H H 154 8.950 8.950 7.872 1.078 17578 7962 1 14 . 1 1 120 120 ALA N N 155 120.568 120.568 122.041 -1.473 17578 7963 1 14 . 1 1 120 120 ALA HA H 155 4.223 4.223 4.197 0.026 17578 7964 1 14 . 1 1 120 120 ALA CA C 155 55.071 55.071 53.437 1.634 17578 7965 1 14 . 1 1 120 120 ALA CB C 155 17.952 17.952 19.581 -1.629 17578 7966 1 14 . 1 1 120 120 ALA H H 155 7.486 7.486 8.015 -0.529 17578 7967 1 15 . 1 1 2 2 LYS N N 37 124.035 124.035 121.434 2.601 17578 7968 1 15 . 1 1 2 2 LYS HA H 37 4.064 4.064 4.331 -0.267 17578 7969 1 15 . 1 1 2 2 LYS H H 37 7.786 7.786 8.441 -0.655 17578 7970 1 15 . 1 1 3 3 LYS HA H 38 4.026 4.026 4.183 -0.157 17578 7971 1 15 . 1 1 3 3 LYS C C 38 179.176 179.176 178.258 0.918 17578 7972 1 15 . 1 1 3 3 LYS CA C 38 59.781 59.781 58.581 1.200 17578 7973 1 15 . 1 1 3 3 LYS CB C 38 32.626 32.626 31.648 0.978 17578 7974 1 15 . 1 1 4 4 LEU N N 39 122.003 122.003 119.963 2.040 17578 7975 1 15 . 1 1 4 4 LEU HA H 39 4.159 4.159 3.909 0.250 17578 7976 1 15 . 1 1 4 4 LEU C C 39 178.232 178.232 178.427 -0.195 17578 7977 1 15 . 1 1 4 4 LEU CA C 39 57.470 57.470 58.697 -1.227 17578 7978 1 15 . 1 1 4 4 LEU CB C 39 40.343 40.343 41.176 -0.833 17578 7979 1 15 . 1 1 4 4 LEU H H 39 7.877 7.877 8.280 -0.403 17578 7980 1 15 . 1 1 5 5 ASN N N 40 118.692 118.692 115.533 3.159 17578 7981 1 15 . 1 1 5 5 ASN HA H 40 3.997 3.997 4.407 -0.410 17578 7982 1 15 . 1 1 5 5 ASN C C 40 176.054 176.054 177.493 -1.439 17578 7983 1 15 . 1 1 5 5 ASN CA C 40 57.622 57.622 56.013 1.609 17578 7984 1 15 . 1 1 5 5 ASN CB C 40 40.113 40.113 37.290 2.823 17578 7985 1 15 . 1 1 5 5 ASN H H 40 9.313 9.313 8.538 0.775 17578 7986 1 15 . 1 1 6 6 LYS N N 41 115.497 115.497 120.491 -4.994 17578 7987 1 15 . 1 1 6 6 LYS HA H 41 3.928 3.928 4.072 -0.144 17578 7988 1 15 . 1 1 6 6 LYS C C 41 179.133 179.133 179.126 0.007 17578 7989 1 15 . 1 1 6 6 LYS CA C 41 59.909 59.909 58.870 1.039 17578 7990 1 15 . 1 1 6 6 LYS CB C 41 32.256 32.256 31.795 0.461 17578 7991 1 15 . 1 1 6 6 LYS H H 41 7.230 7.230 7.515 -0.285 17578 7992 1 15 . 1 1 7 7 LYS N N 42 118.961 118.961 119.386 -0.425 17578 7993 1 15 . 1 1 7 7 LYS HA H 42 4.040 4.040 4.151 -0.111 17578 7994 1 15 . 1 1 7 7 LYS C C 42 180.272 180.272 179.264 1.008 17578 7995 1 15 . 1 1 7 7 LYS CA C 42 59.988 59.988 59.106 0.882 17578 7996 1 15 . 1 1 7 7 LYS CB C 42 33.462 33.462 32.270 1.192 17578 7997 1 15 . 1 1 7 7 LYS H H 42 7.367 7.367 8.195 -0.828 17578 7998 1 15 . 1 1 8 8 VAL N N 43 122.400 122.400 120.144 2.256 17578 7999 1 15 . 1 1 8 8 VAL HA H 43 3.303 3.303 4.037 -0.734 17578 8000 1 15 . 1 1 8 8 VAL CA C 43 67.430 67.430 66.658 0.772 17578 8001 1 15 . 1 1 8 8 VAL CB C 43 31.374 31.374 31.790 -0.416 17578 8002 1 15 . 1 1 8 8 VAL H H 43 9.215 9.215 8.248 0.967 17578 8003 1 15 . 1 1 9 9 LEU N N 44 119.626 119.626 121.575 -1.949 17578 8004 1 15 . 1 1 9 9 LEU HA H 44 3.833 3.833 4.120 -0.287 17578 8005 1 15 . 1 1 9 9 LEU CA C 44 58.453 58.453 58.075 0.378 17578 8006 1 15 . 1 1 9 9 LEU CB C 44 41.171 41.171 42.031 -0.860 17578 8007 1 15 . 1 1 9 9 LEU H H 44 8.471 8.471 8.451 0.020 17578 8008 1 15 . 1 1 10 10 LYS N N 45 119.761 119.761 118.372 1.389 17578 8009 1 15 . 1 1 10 10 LYS HA H 45 4.026 4.026 4.096 -0.070 17578 8010 1 15 . 1 1 10 10 LYS CA C 45 59.919 59.919 59.274 0.645 17578 8011 1 15 . 1 1 10 10 LYS CB C 45 32.430 32.430 31.655 0.775 17578 8012 1 15 . 1 1 10 10 LYS H H 45 7.883 7.883 8.354 -0.471 17578 8013 1 15 . 1 1 11 11 THR N N 46 116.469 116.469 118.227 -1.758 17578 8014 1 15 . 1 1 11 11 THR HA H 46 4.339 4.339 3.937 0.402 17578 8015 1 15 . 1 1 11 11 THR C C 46 175.987 175.987 176.015 -0.028 17578 8016 1 15 . 1 1 11 11 THR CB C 46 68.013 68.013 68.629 -0.616 17578 8017 1 15 . 1 1 11 11 THR H H 46 7.805 7.805 7.883 -0.078 17578 8018 1 15 . 1 1 12 12 VAL N N 47 121.907 121.907 121.187 0.720 17578 8019 1 15 . 1 1 12 12 VAL HA H 47 3.232 3.232 3.756 -0.524 17578 8020 1 15 . 1 1 12 12 VAL CA C 47 67.331 67.331 65.870 1.461 17578 8021 1 15 . 1 1 12 12 VAL CB C 47 31.438 31.438 31.833 -0.395 17578 8022 1 15 . 1 1 12 12 VAL H H 47 8.782 8.782 8.216 0.566 17578 8023 1 15 . 1 1 13 13 LYS N N 48 122.393 122.393 119.407 2.986 17578 8024 1 15 . 1 1 13 13 LYS HA H 48 4.258 4.258 3.938 0.320 17578 8025 1 15 . 1 1 13 13 LYS C C 48 179.808 179.808 178.785 1.023 17578 8026 1 15 . 1 1 13 13 LYS CA C 48 59.999 59.999 59.655 0.344 17578 8027 1 15 . 1 1 13 13 LYS CB C 48 32.553 32.553 32.266 0.287 17578 8028 1 15 . 1 1 13 13 LYS H H 48 8.171 8.171 8.029 0.142 17578 8029 1 15 . 1 1 14 14 LYS N N 49 118.852 118.852 119.259 -0.407 17578 8030 1 15 . 1 1 14 14 LYS HA H 49 3.973 3.973 4.075 -0.102 17578 8031 1 15 . 1 1 14 14 LYS CA C 49 59.811 59.811 59.084 0.727 17578 8032 1 15 . 1 1 14 14 LYS CB C 49 33.389 33.389 32.584 0.805 17578 8033 1 15 . 1 1 14 14 LYS H H 49 7.941 7.941 7.761 0.180 17578 8034 1 15 . 1 1 15 15 ALA N N 50 122.047 122.047 121.065 0.982 17578 8035 1 15 . 1 1 15 15 ALA HA H 50 3.496 3.496 3.745 -0.249 17578 8036 1 15 . 1 1 15 15 ALA CA C 50 54.709 54.709 54.068 0.641 17578 8037 1 15 . 1 1 15 15 ALA CB C 50 18.917 18.917 17.297 1.619 17578 8038 1 15 . 1 1 15 15 ALA H H 50 8.544 8.544 7.537 1.007 17578 8039 1 15 . 1 1 16 16 SER N N 51 116.561 116.561 113.889 2.672 17578 8040 1 15 . 1 1 16 16 SER HA H 51 4.730 4.730 4.076 0.654 17578 8041 1 15 . 1 1 16 16 SER C C 51 178.560 178.560 176.903 1.657 17578 8042 1 15 . 1 1 16 16 SER CA C 51 61.680 61.680 61.381 0.299 17578 8043 1 15 . 1 1 16 16 SER CB C 51 62.551 62.551 63.002 -0.451 17578 8044 1 15 . 1 1 16 16 SER H H 51 8.551 8.551 7.944 0.607 17578 8045 1 15 . 1 1 17 17 LYS N N 52 124.890 124.890 120.900 3.990 17578 8046 1 15 . 1 1 17 17 LYS HA H 52 4.072 4.072 4.055 0.017 17578 8047 1 15 . 1 1 17 17 LYS C C 52 177.377 177.377 178.125 -0.748 17578 8048 1 15 . 1 1 17 17 LYS CA C 52 58.931 58.931 58.817 0.114 17578 8049 1 15 . 1 1 17 17 LYS CB C 52 31.961 31.961 32.312 -0.351 17578 8050 1 15 . 1 1 17 17 LYS H H 52 7.578 7.578 7.678 -0.100 17578 8051 1 15 . 1 1 18 18 ALA N N 53 118.628 118.628 118.201 0.427 17578 8052 1 15 . 1 1 18 18 ALA HA H 53 4.285 4.285 4.347 -0.062 17578 8053 1 15 . 1 1 18 18 ALA C C 53 175.061 175.061 176.668 -1.607 17578 8054 1 15 . 1 1 18 18 ALA CA C 53 51.822 51.822 51.730 0.091 17578 8055 1 15 . 1 1 18 18 ALA CB C 53 19.390 19.390 18.623 0.767 17578 8056 1 15 . 1 1 18 18 ALA H H 53 7.112 7.112 7.550 -0.438 17578 8057 1 15 . 1 1 19 19 LYS N N 54 111.984 111.984 114.646 -2.662 17578 8058 1 15 . 1 1 19 19 LYS HA H 54 4.026 4.026 3.969 0.057 17578 8059 1 15 . 1 1 19 19 LYS CA C 54 57.222 57.222 57.258 -0.036 17578 8060 1 15 . 1 1 19 19 LYS CB C 54 28.387 28.387 29.118 -0.731 17578 8061 1 15 . 1 1 19 19 LYS H H 54 7.653 7.653 7.643 0.010 17578 8062 1 15 . 1 1 20 20 ASN N N 55 116.088 116.088 115.206 0.882 17578 8063 1 15 . 1 1 20 20 ASN HA H 55 5.102 5.102 4.702 0.400 17578 8064 1 15 . 1 1 20 20 ASN C C 55 172.975 172.975 173.512 -0.537 17578 8065 1 15 . 1 1 20 20 ASN CA C 55 51.215 51.215 52.626 -1.411 17578 8066 1 15 . 1 1 20 20 ASN CB C 55 40.316 40.316 39.004 1.312 17578 8067 1 15 . 1 1 20 20 ASN H H 55 8.118 8.118 7.771 0.347 17578 8068 1 15 . 1 1 21 21 VAL N N 56 114.959 114.959 118.659 -3.700 17578 8069 1 15 . 1 1 21 21 VAL HA H 56 4.938 4.938 4.039 0.899 17578 8070 1 15 . 1 1 21 21 VAL C C 56 175.409 175.409 173.723 1.686 17578 8071 1 15 . 1 1 21 21 VAL CA C 56 60.901 60.901 60.364 0.537 17578 8072 1 15 . 1 1 21 21 VAL CB C 56 35.368 35.368 34.745 0.623 17578 8073 1 15 . 1 1 21 21 VAL H H 56 7.628 7.628 7.331 0.297 17578 8074 1 15 . 1 1 22 22 LYS N N 57 126.485 126.485 125.591 0.894 17578 8075 1 15 . 1 1 22 22 LYS HA H 57 4.712 4.712 4.698 0.014 17578 8076 1 15 . 1 1 22 22 LYS C C 57 175.394 175.394 174.269 1.125 17578 8077 1 15 . 1 1 22 22 LYS CA C 57 54.485 54.485 53.810 0.675 17578 8078 1 15 . 1 1 22 22 LYS CB C 57 33.669 33.669 37.039 -3.370 17578 8079 1 15 . 1 1 22 22 LYS H H 57 8.987 8.987 8.697 0.290 17578 8080 1 15 . 1 1 23 23 ARG N N 58 122.011 122.011 119.238 2.773 17578 8081 1 15 . 1 1 23 23 ARG HA H 58 4.837 4.837 4.811 0.026 17578 8082 1 15 . 1 1 23 23 ARG C C 58 175.930 175.930 175.578 0.352 17578 8083 1 15 . 1 1 23 23 ARG CA C 58 55.872 55.872 54.969 0.902 17578 8084 1 15 . 1 1 23 23 ARG CB C 58 33.513 33.513 33.155 0.358 17578 8085 1 15 . 1 1 23 23 ARG H H 58 9.024 9.024 8.648 0.376 17578 8086 1 15 . 1 1 24 24 GLY N N 59 111.007 111.007 111.778 -0.771 17578 8087 1 15 . 1 1 24 24 GLY CA C 59 44.790 44.790 44.756 0.034 17578 8088 1 15 . 1 1 24 24 GLY H H 59 8.315 8.315 8.934 -0.619 17578 8089 1 15 . 1 1 25 25 VAL N N 60 119.423 119.423 122.675 -3.252 17578 8090 1 15 . 1 1 25 25 VAL HA H 60 3.156 3.156 3.551 -0.395 17578 8091 1 15 . 1 1 25 25 VAL C C 60 176.562 176.562 176.907 -0.345 17578 8092 1 15 . 1 1 25 25 VAL CA C 60 68.037 68.037 65.941 2.096 17578 8093 1 15 . 1 1 25 25 VAL CB C 60 32.050 32.050 32.237 -0.188 17578 8094 1 15 . 1 1 25 25 VAL H H 60 8.152 8.152 8.561 -0.409 17578 8095 1 15 . 1 1 26 26 LYS N N 61 117.316 117.316 118.123 -0.807 17578 8096 1 15 . 1 1 26 26 LYS HA H 61 3.919 3.919 3.987 -0.068 17578 8097 1 15 . 1 1 26 26 LYS C C 61 180.130 180.130 178.318 1.812 17578 8098 1 15 . 1 1 26 26 LYS CA C 61 60.157 60.157 59.480 0.678 17578 8099 1 15 . 1 1 26 26 LYS CB C 61 32.041 32.041 31.883 0.158 17578 8100 1 15 . 1 1 26 26 LYS H H 61 8.156 8.156 8.547 -0.391 17578 8101 1 15 . 1 1 27 27 GLU N N 62 117.535 117.535 119.303 -1.768 17578 8102 1 15 . 1 1 27 27 GLU HA H 62 3.961 3.961 4.141 -0.180 17578 8103 1 15 . 1 1 27 27 GLU CA C 62 58.787 58.787 58.940 -0.153 17578 8104 1 15 . 1 1 27 27 GLU CB C 62 29.843 29.843 29.337 0.506 17578 8105 1 15 . 1 1 27 27 GLU H H 62 8.531 8.531 7.754 0.777 17578 8106 1 15 . 1 1 28 28 VAL N N 63 120.589 120.589 117.253 3.336 17578 8107 1 15 . 1 1 28 28 VAL HA H 63 3.498 3.498 2.523 0.975 17578 8108 1 15 . 1 1 28 28 VAL CA C 63 68.099 68.099 65.763 2.336 17578 8109 1 15 . 1 1 28 28 VAL CB C 63 31.376 31.376 30.526 0.850 17578 8110 1 15 . 1 1 28 28 VAL H H 63 8.255 8.255 7.842 0.413 17578 8111 1 15 . 1 1 29 29 VAL N N 64 118.570 118.570 120.900 -2.330 17578 8112 1 15 . 1 1 29 29 VAL HA H 64 3.359 3.359 3.231 0.128 17578 8113 1 15 . 1 1 29 29 VAL C C 64 177.549 177.549 177.720 -0.171 17578 8114 1 15 . 1 1 29 29 VAL CA C 64 67.456 67.456 66.605 0.851 17578 8115 1 15 . 1 1 29 29 VAL CB C 64 31.233 31.233 31.101 0.132 17578 8116 1 15 . 1 1 29 29 VAL H H 64 8.535 8.535 7.846 0.689 17578 8117 1 15 . 1 1 30 30 LYS N N 65 117.926 117.926 119.649 -1.723 17578 8118 1 15 . 1 1 30 30 LYS HA H 65 3.875 3.875 3.827 0.048 17578 8119 1 15 . 1 1 30 30 LYS CA C 65 59.811 59.811 59.656 0.155 17578 8120 1 15 . 1 1 30 30 LYS CB C 65 32.715 32.715 32.362 0.353 17578 8121 1 15 . 1 1 30 30 LYS H H 65 7.538 7.538 7.798 -0.260 17578 8122 1 15 . 1 1 31 31 ALA N N 66 120.475 120.475 121.926 -1.451 17578 8123 1 15 . 1 1 31 31 ALA HA H 66 4.071 4.071 4.086 -0.015 17578 8124 1 15 . 1 1 31 31 ALA C C 66 179.596 179.596 179.564 0.032 17578 8125 1 15 . 1 1 31 31 ALA CA C 66 55.051 55.051 55.047 0.004 17578 8126 1 15 . 1 1 31 31 ALA CB C 66 18.901 18.901 17.968 0.933 17578 8127 1 15 . 1 1 31 31 ALA H H 66 7.496 7.496 7.985 -0.489 17578 8128 1 15 . 1 1 32 32 LEU N N 67 119.357 119.357 120.106 -0.749 17578 8129 1 15 . 1 1 32 32 LEU HA H 67 3.854 3.854 3.895 -0.041 17578 8130 1 15 . 1 1 32 32 LEU CA C 67 57.859 57.859 57.975 -0.116 17578 8131 1 15 . 1 1 32 32 LEU CB C 67 42.442 42.442 40.662 1.780 17578 8132 1 15 . 1 1 32 32 LEU H H 67 8.376 8.376 7.689 0.687 17578 8133 1 15 . 1 1 33 33 ARG N N 68 116.045 116.045 119.620 -3.575 17578 8134 1 15 . 1 1 33 33 ARG HA H 68 3.802 3.802 4.001 -0.199 17578 8135 1 15 . 1 1 33 33 ARG CA C 68 59.306 59.306 58.943 0.363 17578 8136 1 15 . 1 1 33 33 ARG CB C 68 29.759 29.759 30.273 -0.514 17578 8137 1 15 . 1 1 33 33 ARG H H 68 8.091 8.091 7.899 0.192 17578 8138 1 15 . 1 1 34 34 LYS N N 69 117.845 117.845 115.436 2.409 17578 8139 1 15 . 1 1 34 34 LYS HA H 69 4.255 4.255 4.328 -0.073 17578 8140 1 15 . 1 1 34 34 LYS C C 69 176.831 176.831 176.911 -0.080 17578 8141 1 15 . 1 1 34 34 LYS CA C 69 56.548 56.548 55.961 0.588 17578 8142 1 15 . 1 1 34 34 LYS CB C 69 32.710 32.710 32.957 -0.247 17578 8143 1 15 . 1 1 34 34 LYS H H 69 7.616 7.616 7.759 -0.143 17578 8144 1 15 . 1 1 35 35 GLY N N 70 106.783 106.783 107.773 -0.990 17578 8145 1 15 . 1 1 35 35 GLY CA C 70 45.537 45.537 45.911 -0.374 17578 8146 1 15 . 1 1 35 35 GLY H H 70 7.739 7.739 7.855 -0.116 17578 8147 1 15 . 1 1 36 36 GLU N N 71 119.424 119.424 115.836 3.588 17578 8148 1 15 . 1 1 36 36 GLU HA H 71 4.226 4.226 4.454 -0.228 17578 8149 1 15 . 1 1 36 36 GLU C C 71 175.400 175.400 175.916 -0.516 17578 8150 1 15 . 1 1 36 36 GLU CA C 71 57.414 57.414 55.601 1.813 17578 8151 1 15 . 1 1 36 36 GLU CB C 71 29.442 29.442 30.535 -1.093 17578 8152 1 15 . 1 1 36 36 GLU H H 71 7.698 7.698 8.376 -0.678 17578 8153 1 15 . 1 1 37 37 LYS N N 72 118.290 118.290 120.588 -2.298 17578 8154 1 15 . 1 1 37 37 LYS HA H 72 4.903 4.903 4.208 0.695 17578 8155 1 15 . 1 1 37 37 LYS C C 72 175.809 175.809 176.671 -0.862 17578 8156 1 15 . 1 1 37 37 LYS CA C 72 53.791 53.791 57.196 -3.405 17578 8157 1 15 . 1 1 37 37 LYS CB C 72 34.781 34.781 32.117 2.664 17578 8158 1 15 . 1 1 37 37 LYS H H 72 8.223 8.223 7.465 0.758 17578 8159 1 15 . 1 1 38 38 GLY N N 73 104.682 104.682 110.337 -5.655 17578 8160 1 15 . 1 1 38 38 GLY C C 73 171.884 171.884 173.572 -1.688 17578 8161 1 15 . 1 1 38 38 GLY CA C 73 46.360 46.360 45.154 1.206 17578 8162 1 15 . 1 1 38 38 GLY H H 73 7.217 7.217 8.402 -1.185 17578 8163 1 15 . 1 1 39 39 LEU N N 74 125.372 125.372 121.351 4.021 17578 8164 1 15 . 1 1 39 39 LEU HA H 74 4.994 4.994 4.759 0.235 17578 8165 1 15 . 1 1 39 39 LEU C C 74 174.380 174.380 175.881 -1.501 17578 8166 1 15 . 1 1 39 39 LEU CA C 74 54.363 54.363 53.425 0.938 17578 8167 1 15 . 1 1 39 39 LEU CB C 74 47.028 47.028 44.893 2.135 17578 8168 1 15 . 1 1 39 39 LEU H H 74 8.945 8.945 8.022 0.923 17578 8169 1 15 . 1 1 40 40 VAL N N 75 130.967 130.967 123.547 7.420 17578 8170 1 15 . 1 1 40 40 VAL HA H 75 4.644 4.644 4.288 0.356 17578 8171 1 15 . 1 1 40 40 VAL C C 75 173.667 173.667 175.259 -1.592 17578 8172 1 15 . 1 1 40 40 VAL CA C 75 62.273 62.273 61.791 0.482 17578 8173 1 15 . 1 1 40 40 VAL CB C 75 32.591 32.591 32.488 0.103 17578 8174 1 15 . 1 1 40 40 VAL H H 75 8.551 8.551 8.654 -0.103 17578 8175 1 15 . 1 1 41 41 VAL N N 76 127.493 127.493 127.815 -0.322 17578 8176 1 15 . 1 1 41 41 VAL HA H 76 4.660 4.660 4.383 0.277 17578 8177 1 15 . 1 1 41 41 VAL C C 76 173.669 173.669 174.655 -0.986 17578 8178 1 15 . 1 1 41 41 VAL CA C 76 60.899 60.899 60.544 0.355 17578 8179 1 15 . 1 1 41 41 VAL CB C 76 33.346 33.346 33.220 0.126 17578 8180 1 15 . 1 1 41 41 VAL H H 76 8.804 8.804 9.274 -0.470 17578 8181 1 15 . 1 1 42 42 ILE N N 77 125.646 125.646 126.749 -1.103 17578 8182 1 15 . 1 1 42 42 ILE HA H 77 4.444 4.444 4.351 0.093 17578 8183 1 15 . 1 1 42 42 ILE C C 77 174.817 174.817 174.268 0.549 17578 8184 1 15 . 1 1 42 42 ILE CA C 77 59.700 59.700 58.520 1.180 17578 8185 1 15 . 1 1 42 42 ILE CB C 77 39.977 39.977 39.358 0.619 17578 8186 1 15 . 1 1 42 42 ILE H H 77 8.613 8.613 8.450 0.163 17578 8187 1 15 . 1 1 43 43 ALA N N 78 128.691 128.691 129.631 -0.940 17578 8188 1 15 . 1 1 43 43 ALA HA H 78 4.459 4.459 5.221 -0.762 17578 8189 1 15 . 1 1 43 43 ALA C C 78 177.584 177.584 178.420 -0.836 17578 8190 1 15 . 1 1 43 43 ALA CA C 78 52.372 52.372 50.384 1.988 17578 8191 1 15 . 1 1 43 43 ALA CB C 78 19.504 19.504 19.522 -0.018 17578 8192 1 15 . 1 1 43 43 ALA H H 78 8.565 8.565 8.281 0.284 17578 8193 1 15 . 1 1 44 44 GLY N N 79 103.957 103.957 109.572 -5.615 17578 8194 1 15 . 1 1 44 44 GLY C C 79 173.252 173.252 174.146 -0.894 17578 8195 1 15 . 1 1 44 44 GLY CA C 79 45.764 45.764 46.125 -0.361 17578 8196 1 15 . 1 1 44 44 GLY H H 79 9.083 9.083 8.825 0.258 17578 8197 1 15 . 1 1 45 45 ASP N N 80 118.632 118.632 120.148 -1.516 17578 8198 1 15 . 1 1 45 45 ASP HA H 80 4.918 4.918 4.866 0.052 17578 8199 1 15 . 1 1 45 45 ASP CA C 80 52.689 52.689 53.461 -0.772 17578 8200 1 15 . 1 1 45 45 ASP CB C 80 39.118 39.118 41.191 -2.073 17578 8201 1 15 . 1 1 45 45 ASP H H 80 8.695 8.695 8.114 0.581 17578 8202 1 15 . 1 1 46 46 ILE N N 81 117.935 117.935 119.277 -1.342 17578 8203 1 15 . 1 1 46 46 ILE HA H 81 4.179 4.179 4.512 -0.333 17578 8204 1 15 . 1 1 46 46 ILE C C 81 172.890 172.890 174.239 -1.349 17578 8205 1 15 . 1 1 46 46 ILE CA C 81 59.242 59.242 59.680 -0.438 17578 8206 1 15 . 1 1 46 46 ILE CB C 81 39.253 39.253 41.117 -1.864 17578 8207 1 15 . 1 1 46 46 ILE H H 81 6.730 6.730 7.603 -0.873 17578 8208 1 15 . 1 1 47 47 TRP N N 82 123.585 123.585 127.527 -3.942 17578 8209 1 15 . 1 1 47 47 TRP HA H 82 4.587 4.587 5.228 -0.641 17578 8210 1 15 . 1 1 47 47 TRP CA C 82 55.386 55.386 54.424 0.962 17578 8211 1 15 . 1 1 47 47 TRP CB C 82 32.147 32.147 28.773 3.374 17578 8212 1 15 . 1 1 47 47 TRP H H 82 7.804 7.804 8.328 -0.524 17578 8213 1 15 . 1 1 48 48 PRO HA H 83 4.248 4.248 4.669 -0.421 17578 8214 1 15 . 1 1 48 48 PRO CA C 83 62.712 62.712 62.163 0.549 17578 8215 1 15 . 1 1 48 48 PRO CB C 83 34.011 34.011 32.439 1.572 17578 8216 1 15 . 1 1 49 49 ALA N N 84 121.827 121.827 120.308 1.519 17578 8217 1 15 . 1 1 49 49 ALA HA H 84 3.969 3.969 4.294 -0.325 17578 8218 1 15 . 1 1 49 49 ALA CA C 84 54.183 54.183 52.677 1.506 17578 8219 1 15 . 1 1 49 49 ALA CB C 84 19.404 19.404 18.642 0.761 17578 8220 1 15 . 1 1 49 49 ALA H H 84 8.198 8.198 8.537 -0.339 17578 8221 1 15 . 1 1 50 50 ASP N N 85 114.049 114.049 120.038 -5.989 17578 8222 1 15 . 1 1 50 50 ASP HA H 85 4.301 4.301 4.147 0.154 17578 8223 1 15 . 1 1 50 50 ASP C C 85 177.428 177.428 177.727 -0.299 17578 8224 1 15 . 1 1 50 50 ASP CA C 85 55.777 55.777 57.641 -1.864 17578 8225 1 15 . 1 1 50 50 ASP CB C 85 40.060 40.060 39.935 0.124 17578 8226 1 15 . 1 1 50 50 ASP H H 85 8.008 8.008 8.674 -0.666 17578 8227 1 15 . 1 1 51 51 VAL N N 86 116.790 116.790 117.234 -0.444 17578 8228 1 15 . 1 1 51 51 VAL HA H 86 3.841 3.841 3.782 0.059 17578 8229 1 15 . 1 1 51 51 VAL C C 86 176.231 176.231 177.252 -1.021 17578 8230 1 15 . 1 1 51 51 VAL CA C 86 65.332 65.332 64.616 0.716 17578 8231 1 15 . 1 1 51 51 VAL CB C 86 32.123 32.123 30.815 1.308 17578 8232 1 15 . 1 1 51 51 VAL H H 86 7.542 7.542 7.354 0.188 17578 8233 1 15 . 1 1 52 52 ILE N N 87 107.529 107.529 120.069 -12.540 17578 8234 1 15 . 1 1 52 52 ILE HA H 87 4.638 4.638 3.622 1.016 17578 8235 1 15 . 1 1 52 52 ILE C C 87 178.026 178.026 177.993 0.033 17578 8236 1 15 . 1 1 52 52 ILE CA C 87 59.806 59.806 64.815 -5.009 17578 8237 1 15 . 1 1 52 52 ILE CB C 87 40.742 40.742 37.439 3.303 17578 8238 1 15 . 1 1 52 52 ILE H H 87 7.310 7.310 8.457 -1.147 17578 8239 1 15 . 1 1 53 53 SER N N 88 116.004 116.004 114.652 1.352 17578 8240 1 15 . 1 1 53 53 SER HA H 88 4.566 4.566 4.340 0.226 17578 8241 1 15 . 1 1 53 53 SER CA C 88 61.760 61.760 60.640 1.120 17578 8242 1 15 . 1 1 53 53 SER CB C 88 62.391 62.391 63.624 -1.233 17578 8243 1 15 . 1 1 53 53 SER H H 88 7.827 7.827 7.800 0.027 17578 8244 1 15 . 1 1 54 54 HIS HA H 89 4.572 4.572 4.316 0.256 17578 8245 1 15 . 1 1 54 54 HIS CA C 89 56.789 56.789 58.360 -1.571 17578 8246 1 15 . 1 1 54 54 HIS CB C 89 30.527 30.527 29.730 0.797 17578 8247 1 15 . 1 1 55 55 ILE N N 90 120.579 120.579 121.247 -0.668 17578 8248 1 15 . 1 1 55 55 ILE HA H 90 3.512 3.512 3.698 -0.186 17578 8249 1 15 . 1 1 55 55 ILE CA C 90 65.424 65.424 64.744 0.680 17578 8250 1 15 . 1 1 55 55 ILE CB C 90 34.176 34.176 34.808 -0.632 17578 8251 1 15 . 1 1 55 55 ILE H H 90 7.764 7.764 8.018 -0.254 17578 8252 1 15 . 1 1 56 56 PRO HA H 91 2.942 2.942 4.385 -1.443 17578 8253 1 15 . 1 1 56 56 PRO C C 91 177.032 177.032 179.005 -1.973 17578 8254 1 15 . 1 1 56 56 PRO CA C 91 66.842 66.842 65.647 1.196 17578 8255 1 15 . 1 1 56 56 PRO CB C 91 31.206 31.206 31.468 -0.262 17578 8256 1 15 . 1 1 57 57 VAL N N 92 114.379 114.379 119.563 -5.184 17578 8257 1 15 . 1 1 57 57 VAL HA H 92 3.574 3.574 3.815 -0.241 17578 8258 1 15 . 1 1 57 57 VAL CA C 92 65.900 65.900 65.623 0.277 17578 8259 1 15 . 1 1 57 57 VAL CB C 92 31.600 31.600 31.570 0.030 17578 8260 1 15 . 1 1 57 57 VAL H H 92 6.497 6.497 7.753 -1.256 17578 8261 1 15 . 1 1 58 58 LEU N N 93 120.522 120.522 119.673 0.849 17578 8262 1 15 . 1 1 58 58 LEU HA H 93 4.227 4.227 3.704 0.523 17578 8263 1 15 . 1 1 58 58 LEU C C 93 180.251 180.251 178.656 1.595 17578 8264 1 15 . 1 1 58 58 LEU CA C 93 57.838 57.838 57.501 0.337 17578 8265 1 15 . 1 1 58 58 LEU CB C 93 43.172 43.172 41.338 1.834 17578 8266 1 15 . 1 1 58 58 LEU H H 93 7.460 7.460 7.651 -0.191 17578 8267 1 15 . 1 1 59 59 CYS N N 94 117.195 117.195 118.657 -1.462 17578 8268 1 15 . 1 1 59 59 CYS HA H 94 3.867 3.867 4.402 -0.535 17578 8269 1 15 . 1 1 59 59 CYS C C 94 176.362 176.362 176.582 -0.220 17578 8270 1 15 . 1 1 59 59 CYS CA C 94 65.379 65.379 62.803 2.576 17578 8271 1 15 . 1 1 59 59 CYS CB C 94 26.344 26.344 28.100 -1.756 17578 8272 1 15 . 1 1 59 59 CYS H H 94 8.335 8.335 8.026 0.309 17578 8273 1 15 . 1 1 60 60 GLU N N 95 120.777 120.777 119.380 1.397 17578 8274 1 15 . 1 1 60 60 GLU HA H 95 4.209 4.209 4.115 0.094 17578 8275 1 15 . 1 1 60 60 GLU CA C 95 59.760 59.760 58.836 0.924 17578 8276 1 15 . 1 1 60 60 GLU CB C 95 29.201 29.201 29.656 -0.455 17578 8277 1 15 . 1 1 60 60 GLU H H 95 8.235 8.235 8.106 0.129 17578 8278 1 15 . 1 1 61 61 ASP N N 96 120.910 120.910 117.361 3.549 17578 8279 1 15 . 1 1 61 61 ASP HA H 96 4.292 4.292 4.502 -0.210 17578 8280 1 15 . 1 1 61 61 ASP C C 96 177.890 177.890 177.689 0.201 17578 8281 1 15 . 1 1 61 61 ASP CA C 96 57.235 57.235 55.717 1.518 17578 8282 1 15 . 1 1 61 61 ASP CB C 96 40.580 40.580 41.275 -0.695 17578 8283 1 15 . 1 1 61 61 ASP H H 96 8.509 8.509 7.792 0.717 17578 8284 1 15 . 1 1 62 62 HIS N N 97 115.923 115.923 116.416 -0.493 17578 8285 1 15 . 1 1 62 62 HIS HA H 97 4.495 4.495 4.813 -0.318 17578 8286 1 15 . 1 1 62 62 HIS C C 97 173.548 173.548 175.268 -1.720 17578 8287 1 15 . 1 1 62 62 HIS CA C 97 57.290 57.290 55.807 1.483 17578 8288 1 15 . 1 1 62 62 HIS CB C 97 29.997 29.997 31.413 -1.416 17578 8289 1 15 . 1 1 62 62 HIS H H 97 7.635 7.635 7.466 0.169 17578 8290 1 15 . 1 1 63 63 SER N N 98 114.634 114.634 115.082 -0.448 17578 8291 1 15 . 1 1 63 63 SER HA H 98 4.489 4.489 4.102 0.387 17578 8292 1 15 . 1 1 63 63 SER C C 98 173.949 173.949 172.161 1.788 17578 8293 1 15 . 1 1 63 63 SER CA C 98 58.842 58.842 59.047 -0.205 17578 8294 1 15 . 1 1 63 63 SER CB C 98 61.396 61.396 63.007 -1.611 17578 8295 1 15 . 1 1 63 63 SER H H 98 7.888 7.888 8.157 -0.269 17578 8296 1 15 . 1 1 64 64 VAL N N 99 123.090 123.090 122.349 0.741 17578 8297 1 15 . 1 1 64 64 VAL HA H 99 4.721 4.721 4.450 0.271 17578 8298 1 15 . 1 1 64 64 VAL CA C 99 58.978 58.978 59.300 -0.322 17578 8299 1 15 . 1 1 64 64 VAL CB C 99 35.228 35.228 35.394 -0.166 17578 8300 1 15 . 1 1 64 64 VAL H H 99 8.590 8.590 8.200 0.390 17578 8301 1 15 . 1 1 65 65 PRO HA H 100 4.263 4.263 4.103 0.160 17578 8302 1 15 . 1 1 65 65 PRO C C 100 173.191 173.191 175.455 -2.264 17578 8303 1 15 . 1 1 65 65 PRO CA C 100 63.427 63.427 62.591 0.836 17578 8304 1 15 . 1 1 65 65 PRO CB C 100 31.863 31.863 31.870 -0.007 17578 8305 1 15 . 1 1 66 66 TYR N N 101 114.702 114.702 120.301 -5.599 17578 8306 1 15 . 1 1 66 66 TYR HA H 101 5.925 5.925 5.587 0.338 17578 8307 1 15 . 1 1 66 66 TYR CA C 101 53.501 53.501 55.350 -1.849 17578 8308 1 15 . 1 1 66 66 TYR CB C 101 41.793 41.793 41.364 0.429 17578 8309 1 15 . 1 1 66 66 TYR H H 101 6.243 6.243 7.149 -0.906 17578 8310 1 15 . 1 1 67 67 ILE N N 102 111.885 111.885 117.656 -5.771 17578 8311 1 15 . 1 1 67 67 ILE HA H 102 4.502 4.502 4.495 0.007 17578 8312 1 15 . 1 1 67 67 ILE C C 102 172.358 172.358 174.389 -2.031 17578 8313 1 15 . 1 1 67 67 ILE CA C 102 55.442 55.442 60.198 -4.756 17578 8314 1 15 . 1 1 67 67 ILE CB C 102 43.124 43.124 42.658 0.466 17578 8315 1 15 . 1 1 67 67 ILE H H 102 7.986 7.986 8.328 -0.342 17578 8316 1 15 . 1 1 68 68 PHE N N 103 122.274 122.274 127.688 -5.414 17578 8317 1 15 . 1 1 68 68 PHE HA H 103 5.087 5.087 4.736 0.351 17578 8318 1 15 . 1 1 68 68 PHE C C 103 176.173 176.173 174.863 1.310 17578 8319 1 15 . 1 1 68 68 PHE CA C 103 56.103 56.103 58.183 -2.080 17578 8320 1 15 . 1 1 68 68 PHE CB C 103 39.891 39.891 39.607 0.284 17578 8321 1 15 . 1 1 68 68 PHE H H 103 8.108 8.108 8.713 -0.605 17578 8322 1 15 . 1 1 69 69 ILE N N 104 114.613 114.613 121.778 -7.165 17578 8323 1 15 . 1 1 69 69 ILE HA H 104 4.927 4.927 4.917 0.010 17578 8324 1 15 . 1 1 69 69 ILE CA C 104 57.831 57.831 57.408 0.423 17578 8325 1 15 . 1 1 69 69 ILE CB C 104 38.302 38.302 39.386 -1.083 17578 8326 1 15 . 1 1 69 69 ILE H H 104 8.843 8.843 8.407 0.436 17578 8327 1 15 . 1 1 70 70 PRO HA H 105 4.093 4.093 4.632 -0.539 17578 8328 1 15 . 1 1 70 70 PRO CA C 105 66.439 66.439 63.093 3.346 17578 8329 1 15 . 1 1 70 70 PRO CB C 105 32.879 32.879 32.310 0.569 17578 8330 1 15 . 1 1 71 71 SER N N 106 106.896 106.896 111.040 -4.144 17578 8331 1 15 . 1 1 71 71 SER HA H 106 5.227 5.227 4.565 0.662 17578 8332 1 15 . 1 1 71 71 SER CA C 106 55.373 55.373 60.093 -4.720 17578 8333 1 15 . 1 1 71 71 SER CB C 106 64.696 64.696 64.206 0.490 17578 8334 1 15 . 1 1 71 71 SER H H 106 7.548 7.548 8.223 -0.675 17578 8335 1 15 . 1 1 72 72 LYS N N 107 119.881 119.881 122.666 -2.785 17578 8336 1 15 . 1 1 72 72 LYS HA H 107 4.191 4.191 3.919 0.272 17578 8337 1 15 . 1 1 72 72 LYS CA C 107 58.623 58.623 60.617 -1.994 17578 8338 1 15 . 1 1 72 72 LYS CB C 107 30.957 30.957 31.850 -0.893 17578 8339 1 15 . 1 1 72 72 LYS H H 107 8.328 8.328 8.688 -0.360 17578 8340 1 15 . 1 1 73 73 GLN N N 108 123.720 123.720 116.619 7.101 17578 8341 1 15 . 1 1 73 73 GLN HA H 108 4.013 4.013 4.253 -0.240 17578 8342 1 15 . 1 1 73 73 GLN CA C 108 58.621 58.621 58.226 0.395 17578 8343 1 15 . 1 1 73 73 GLN CB C 108 28.331 28.331 28.054 0.277 17578 8344 1 15 . 1 1 73 73 GLN H H 108 8.543 8.543 8.450 0.093 17578 8345 1 15 . 1 1 74 74 ASP N N 109 121.068 121.068 120.641 0.427 17578 8346 1 15 . 1 1 74 74 ASP HA H 109 4.353 4.353 4.345 0.008 17578 8347 1 15 . 1 1 74 74 ASP CA C 109 56.941 56.941 57.675 -0.734 17578 8348 1 15 . 1 1 74 74 ASP CB C 109 40.403 40.403 40.469 -0.066 17578 8349 1 15 . 1 1 74 74 ASP H H 109 7.998 7.998 8.706 -0.708 17578 8350 1 15 . 1 1 75 75 LEU N N 110 120.670 120.670 120.425 0.245 17578 8351 1 15 . 1 1 75 75 LEU HA H 110 3.967 3.967 4.200 -0.233 17578 8352 1 15 . 1 1 75 75 LEU C C 110 178.753 178.753 179.154 -0.401 17578 8353 1 15 . 1 1 75 75 LEU CA C 110 57.080 57.080 57.262 -0.182 17578 8354 1 15 . 1 1 75 75 LEU CB C 110 41.235 41.235 41.931 -0.696 17578 8355 1 15 . 1 1 75 75 LEU H H 110 7.999 7.999 7.331 0.668 17578 8356 1 15 . 1 1 76 76 GLY N N 111 105.512 105.512 107.126 -1.614 17578 8357 1 15 . 1 1 76 76 GLY C C 111 175.517 175.517 174.379 1.138 17578 8358 1 15 . 1 1 76 76 GLY CA C 111 46.745 46.745 47.178 -0.433 17578 8359 1 15 . 1 1 76 76 GLY H H 111 8.012 8.012 8.352 -0.340 17578 8360 1 15 . 1 1 77 77 ALA N N 112 122.891 122.891 123.041 -0.150 17578 8361 1 15 . 1 1 77 77 ALA HA H 112 4.180 4.180 4.323 -0.143 17578 8362 1 15 . 1 1 77 77 ALA CA C 112 53.652 53.652 53.562 0.090 17578 8363 1 15 . 1 1 77 77 ALA CB C 112 18.482 18.482 18.808 -0.326 17578 8364 1 15 . 1 1 77 77 ALA H H 112 7.785 7.785 7.832 -0.047 17578 8365 1 15 . 1 1 78 78 ALA N N 113 121.205 121.205 119.713 1.492 17578 8366 1 15 . 1 1 78 78 ALA HA H 113 4.213 4.213 4.069 0.144 17578 8367 1 15 . 1 1 78 78 ALA CA C 113 53.503 53.503 54.082 -0.579 17578 8368 1 15 . 1 1 78 78 ALA CB C 113 18.897 18.897 18.947 -0.050 17578 8369 1 15 . 1 1 78 78 ALA H H 113 7.787 7.787 7.941 -0.154 17578 8370 1 15 . 1 1 79 79 GLY N N 114 104.082 104.082 104.898 -0.816 17578 8371 1 15 . 1 1 79 79 GLY CA C 114 44.764 44.764 44.635 0.129 17578 8372 1 15 . 1 1 79 79 GLY H H 114 7.756 7.756 7.996 -0.240 17578 8373 1 15 . 1 1 80 80 ALA HA H 115 4.061 4.061 4.417 -0.356 17578 8374 1 15 . 1 1 80 80 ALA CA C 115 53.192 53.192 51.697 1.495 17578 8375 1 15 . 1 1 80 80 ALA CB C 115 19.493 19.493 20.351 -0.858 17578 8376 1 15 . 1 1 81 81 THR N N 116 116.258 116.258 113.212 3.046 17578 8377 1 15 . 1 1 81 81 THR CA C 116 57.223 57.223 61.978 -4.755 17578 8378 1 15 . 1 1 81 81 THR CB C 116 64.784 64.784 66.884 -2.100 17578 8379 1 15 . 1 1 81 81 THR H H 116 8.121 8.121 8.372 -0.251 17578 8380 1 15 . 1 1 83 83 ARG N N 118 122.269 122.269 122.230 0.039 17578 8381 1 15 . 1 1 83 83 ARG H H 118 8.128 8.128 8.687 -0.559 17578 8382 1 15 . 1 1 85 85 THR N N 120 120.171 120.171 111.447 8.724 17578 8383 1 15 . 1 1 85 85 THR C C 120 172.729 172.729 173.687 -0.958 17578 8384 1 15 . 1 1 85 85 THR H H 120 8.127 8.127 7.997 0.130 17578 8385 1 15 . 1 1 86 86 SER N N 121 115.808 115.808 115.052 0.756 17578 8386 1 15 . 1 1 86 86 SER HA H 121 4.280 4.280 4.619 -0.339 17578 8387 1 15 . 1 1 86 86 SER CA C 121 59.573 59.573 58.283 1.290 17578 8388 1 15 . 1 1 86 86 SER CB C 121 64.384 64.384 64.035 0.349 17578 8389 1 15 . 1 1 86 86 SER H H 121 7.045 7.045 8.179 -1.134 17578 8390 1 15 . 1 1 87 87 VAL N N 122 115.790 115.790 119.208 -3.418 17578 8391 1 15 . 1 1 87 87 VAL HA H 122 5.203 5.203 4.352 0.851 17578 8392 1 15 . 1 1 87 87 VAL CA C 122 59.412 59.412 62.149 -2.737 17578 8393 1 15 . 1 1 87 87 VAL CB C 122 32.729 32.729 32.498 0.231 17578 8394 1 15 . 1 1 87 87 VAL H H 122 7.082 7.082 7.749 -0.667 17578 8395 1 15 . 1 1 88 88 VAL N N 123 119.313 119.313 125.821 -6.508 17578 8396 1 15 . 1 1 88 88 VAL HA H 123 5.097 5.097 4.891 0.206 17578 8397 1 15 . 1 1 88 88 VAL C C 123 172.990 172.990 173.412 -0.422 17578 8398 1 15 . 1 1 88 88 VAL CA C 123 58.925 58.925 59.766 -0.841 17578 8399 1 15 . 1 1 88 88 VAL CB C 123 35.929 35.929 35.515 0.414 17578 8400 1 15 . 1 1 88 88 VAL H H 123 8.948 8.948 8.353 0.595 17578 8401 1 15 . 1 1 89 89 PHE N N 124 122.616 122.616 125.930 -3.314 17578 8402 1 15 . 1 1 89 89 PHE HA H 124 5.641 5.641 5.464 0.177 17578 8403 1 15 . 1 1 89 89 PHE C C 124 174.686 174.686 172.700 1.986 17578 8404 1 15 . 1 1 89 89 PHE CA C 124 52.579 52.579 55.157 -2.578 17578 8405 1 15 . 1 1 89 89 PHE CB C 124 42.392 42.392 42.688 -0.296 17578 8406 1 15 . 1 1 89 89 PHE H H 124 9.065 9.065 9.294 -0.229 17578 8407 1 15 . 1 1 90 90 ILE N N 125 127.599 127.599 120.871 6.728 17578 8408 1 15 . 1 1 90 90 ILE HA H 125 4.268 4.268 3.955 0.313 17578 8409 1 15 . 1 1 90 90 ILE C C 125 173.652 173.652 174.776 -1.124 17578 8410 1 15 . 1 1 90 90 ILE CA C 125 61.605 61.605 59.494 2.111 17578 8411 1 15 . 1 1 90 90 ILE CB C 125 39.533 39.533 39.444 0.089 17578 8412 1 15 . 1 1 90 90 ILE H H 125 9.498 9.498 9.016 0.482 17578 8413 1 15 . 1 1 91 91 VAL N N 126 126.693 126.693 124.369 2.324 17578 8414 1 15 . 1 1 91 91 VAL HA H 126 4.595 4.595 4.687 -0.092 17578 8415 1 15 . 1 1 91 91 VAL CA C 126 58.380 58.380 57.822 0.559 17578 8416 1 15 . 1 1 91 91 VAL CB C 126 32.597 32.597 32.295 0.302 17578 8417 1 15 . 1 1 91 91 VAL H H 126 8.169 8.169 8.687 -0.518 17578 8418 1 15 . 1 1 92 92 PRO HA H 127 4.044 4.044 4.450 -0.406 17578 8419 1 15 . 1 1 92 92 PRO CA C 127 63.380 63.380 62.763 0.617 17578 8420 1 15 . 1 1 92 92 PRO CB C 127 31.735 31.735 30.461 1.274 17578 8421 1 15 . 1 1 93 93 GLY N N 128 108.589 108.589 114.464 -5.875 17578 8422 1 15 . 1 1 93 93 GLY CA C 128 45.443 45.443 46.048 -0.605 17578 8423 1 15 . 1 1 93 93 GLY H H 128 8.022 8.022 8.327 -0.305 17578 8424 1 15 . 1 1 94 94 SER N N 129 113.115 113.115 115.522 -2.407 17578 8425 1 15 . 1 1 94 94 SER H H 129 7.992 7.992 7.948 0.044 17578 8426 1 15 . 1 1 95 95 ASN N N 130 120.738 120.738 120.676 0.062 17578 8427 1 15 . 1 1 95 95 ASN C C 130 178.419 178.419 176.511 1.908 17578 8428 1 15 . 1 1 95 95 ASN CA C 130 57.337 57.337 56.062 1.275 17578 8429 1 15 . 1 1 95 95 ASN CB C 130 41.958 41.958 38.493 3.465 17578 8430 1 15 . 1 1 95 95 ASN H H 130 8.313 8.313 9.020 -0.707 17578 8431 1 15 . 1 1 96 96 LYS N N 131 119.159 119.159 117.408 1.751 17578 8432 1 15 . 1 1 96 96 LYS HA H 131 4.021 4.021 4.237 -0.216 17578 8433 1 15 . 1 1 96 96 LYS CA C 131 58.749 58.749 58.121 0.628 17578 8434 1 15 . 1 1 96 96 LYS CB C 131 29.565 29.565 32.623 -3.058 17578 8435 1 15 . 1 1 96 96 LYS H H 131 7.881 7.881 8.032 -0.151 17578 8436 1 15 . 1 1 97 97 LYS N N 132 117.399 117.399 120.606 -3.207 17578 8437 1 15 . 1 1 97 97 LYS CA C 132 58.413 58.413 58.552 -0.139 17578 8438 1 15 . 1 1 97 97 LYS CB C 132 30.694 30.694 31.785 -1.091 17578 8439 1 15 . 1 1 97 97 LYS H H 132 7.765 7.765 8.228 -0.463 17578 8440 1 15 . 1 1 98 98 LYS N N 133 119.160 119.160 119.505 -0.345 17578 8441 1 15 . 1 1 98 98 LYS CA C 133 58.266 58.266 58.811 -0.545 17578 8442 1 15 . 1 1 98 98 LYS CB C 133 30.981 30.981 32.347 -1.366 17578 8443 1 15 . 1 1 98 98 LYS H H 133 8.070 8.070 7.871 0.199 17578 8444 1 15 . 1 1 99 99 ASP N N 134 120.602 120.602 115.714 4.888 17578 8445 1 15 . 1 1 99 99 ASP CA C 134 55.586 55.586 52.929 2.656 17578 8446 1 15 . 1 1 99 99 ASP CB C 134 41.898 41.898 39.639 2.259 17578 8447 1 15 . 1 1 99 99 ASP H H 134 8.255 8.255 7.742 0.513 17578 8448 1 15 . 1 1 100 100 GLY N N 135 108.785 108.785 108.214 0.571 17578 8449 1 15 . 1 1 100 100 GLY CA C 135 45.536 45.536 44.267 1.268 17578 8450 1 15 . 1 1 100 100 GLY H H 135 8.451 8.451 7.737 0.714 17578 8451 1 15 . 1 1 101 101 LYS N N 136 120.171 120.171 121.286 -1.115 17578 8452 1 15 . 1 1 101 101 LYS H H 136 8.127 8.127 8.406 -0.279 17578 8453 1 15 . 1 1 102 102 ASN N N 137 118.588 118.588 121.005 -2.417 17578 8454 1 15 . 1 1 102 102 ASN H H 137 8.481 8.481 8.314 0.167 17578 8455 1 15 . 1 1 103 103 LYS N N 138 121.739 121.739 121.733 0.006 17578 8456 1 15 . 1 1 103 103 LYS HA H 138 4.241 4.241 3.725 0.516 17578 8457 1 15 . 1 1 103 103 LYS CA C 138 56.760 56.760 58.621 -1.861 17578 8458 1 15 . 1 1 103 103 LYS CB C 138 32.691 32.691 31.867 0.824 17578 8459 1 15 . 1 1 103 103 LYS H H 138 8.318 8.318 8.486 -0.168 17578 8460 1 15 . 1 1 104 104 GLU N N 139 120.980 120.980 117.921 3.059 17578 8461 1 15 . 1 1 104 104 GLU CA C 139 57.235 57.235 59.824 -2.589 17578 8462 1 15 . 1 1 104 104 GLU CB C 139 29.893 29.893 29.229 0.664 17578 8463 1 15 . 1 1 104 104 GLU H H 139 8.478 8.478 8.704 -0.226 17578 8464 1 15 . 1 1 107 107 TYR N N 142 119.214 119.214 118.943 0.271 17578 8465 1 15 . 1 1 107 107 TYR HA H 142 5.023 5.023 3.901 1.122 17578 8466 1 15 . 1 1 107 107 TYR C C 142 175.419 175.419 178.398 -2.979 17578 8467 1 15 . 1 1 107 107 TYR CA C 142 57.200 57.200 59.984 -2.784 17578 8468 1 15 . 1 1 107 107 TYR CB C 142 39.165 39.165 37.464 1.701 17578 8469 1 15 . 1 1 107 107 TYR H H 142 7.992 7.992 7.959 0.033 17578 8470 1 15 . 1 1 108 108 LYS N N 143 123.500 123.500 118.748 4.752 17578 8471 1 15 . 1 1 108 108 LYS HA H 143 3.628 3.628 3.933 -0.305 17578 8472 1 15 . 1 1 108 108 LYS CA C 143 59.619 59.619 59.614 0.005 17578 8473 1 15 . 1 1 108 108 LYS CB C 143 31.869 31.869 31.892 -0.023 17578 8474 1 15 . 1 1 108 108 LYS H H 143 7.377 7.377 8.441 -1.064 17578 8475 1 15 . 1 1 109 109 GLU N N 144 118.669 118.669 120.592 -1.923 17578 8476 1 15 . 1 1 109 109 GLU HA H 144 4.735 4.735 4.006 0.729 17578 8477 1 15 . 1 1 109 109 GLU CA C 144 59.865 59.865 59.505 0.360 17578 8478 1 15 . 1 1 109 109 GLU CB C 144 29.004 29.004 29.323 -0.319 17578 8479 1 15 . 1 1 109 109 GLU H H 144 8.583 8.583 8.262 0.321 17578 8480 1 15 . 1 1 110 110 SER N N 145 116.081 116.081 115.670 0.411 17578 8481 1 15 . 1 1 110 110 SER HA H 145 4.448 4.448 4.287 0.161 17578 8482 1 15 . 1 1 110 110 SER CB C 145 64.178 64.178 62.563 1.615 17578 8483 1 15 . 1 1 110 110 SER H H 145 8.117 8.117 7.938 0.179 17578 8484 1 15 . 1 1 111 111 PHE N N 146 122.134 122.134 122.859 -0.725 17578 8485 1 15 . 1 1 111 111 PHE HA H 146 4.022 4.022 4.182 -0.160 17578 8486 1 15 . 1 1 111 111 PHE C C 146 175.751 175.751 177.809 -2.058 17578 8487 1 15 . 1 1 111 111 PHE CA C 146 62.159 62.159 59.378 2.781 17578 8488 1 15 . 1 1 111 111 PHE CB C 146 39.533 39.533 37.968 1.565 17578 8489 1 15 . 1 1 111 111 PHE H H 146 8.553 8.553 8.069 0.484 17578 8490 1 15 . 1 1 112 112 ASN N N 147 117.856 117.856 118.153 -0.297 17578 8491 1 15 . 1 1 112 112 ASN HA H 147 4.269 4.269 4.328 -0.059 17578 8492 1 15 . 1 1 112 112 ASN CA C 147 55.881 55.881 56.803 -0.922 17578 8493 1 15 . 1 1 112 112 ASN CB C 147 37.663 37.663 38.348 -0.685 17578 8494 1 15 . 1 1 112 112 ASN H H 147 8.809 8.809 8.742 0.067 17578 8495 1 15 . 1 1 113 113 GLU N N 148 119.708 119.708 120.374 -0.666 17578 8496 1 15 . 1 1 113 113 GLU HA H 148 4.021 4.021 4.016 0.005 17578 8497 1 15 . 1 1 113 113 GLU CA C 148 59.385 59.385 59.582 -0.197 17578 8498 1 15 . 1 1 113 113 GLU CB C 148 29.784 29.784 29.764 0.020 17578 8499 1 15 . 1 1 113 113 GLU H H 148 7.778 7.778 7.874 -0.096 17578 8500 1 15 . 1 1 114 114 VAL N N 149 119.680 119.680 119.610 0.070 17578 8501 1 15 . 1 1 114 114 VAL HA H 149 3.556 3.556 3.706 -0.150 17578 8502 1 15 . 1 1 114 114 VAL CA C 149 66.625 66.625 66.925 -0.300 17578 8503 1 15 . 1 1 114 114 VAL CB C 149 31.368 31.368 32.134 -0.766 17578 8504 1 15 . 1 1 114 114 VAL H H 149 8.023 8.023 7.946 0.077 17578 8505 1 15 . 1 1 115 115 VAL N N 150 119.684 119.684 116.854 2.830 17578 8506 1 15 . 1 1 115 115 VAL HA H 150 3.163 3.163 3.663 -0.500 17578 8507 1 15 . 1 1 115 115 VAL C C 150 177.270 177.270 177.881 -0.611 17578 8508 1 15 . 1 1 115 115 VAL CA C 150 67.984 67.984 66.103 1.881 17578 8509 1 15 . 1 1 115 115 VAL CB C 150 30.848 30.848 31.445 -0.597 17578 8510 1 15 . 1 1 115 115 VAL H H 150 8.480 8.480 8.609 -0.129 17578 8511 1 15 . 1 1 116 116 LYS N N 151 118.648 118.648 120.024 -1.376 17578 8512 1 15 . 1 1 116 116 LYS HA H 151 4.027 4.027 4.086 -0.059 17578 8513 1 15 . 1 1 116 116 LYS CA C 151 59.691 59.691 58.849 0.842 17578 8514 1 15 . 1 1 116 116 LYS CB C 151 32.346 32.346 31.690 0.656 17578 8515 1 15 . 1 1 116 116 LYS H H 151 7.584 7.584 7.847 -0.263 17578 8516 1 15 . 1 1 117 117 GLU N N 152 120.177 120.177 120.250 -0.073 17578 8517 1 15 . 1 1 117 117 GLU HA H 152 4.046 4.046 4.005 0.041 17578 8518 1 15 . 1 1 117 117 GLU CA C 152 59.932 59.932 59.568 0.364 17578 8519 1 15 . 1 1 117 117 GLU CB C 152 29.663 29.663 29.530 0.133 17578 8520 1 15 . 1 1 117 117 GLU H H 152 7.528 7.528 7.928 -0.400 17578 8521 1 15 . 1 1 118 118 VAL N N 153 120.413 120.413 119.899 0.514 17578 8522 1 15 . 1 1 118 118 VAL HA H 153 3.421 3.421 3.813 -0.392 17578 8523 1 15 . 1 1 118 118 VAL CA C 153 67.196 67.196 66.059 1.137 17578 8524 1 15 . 1 1 118 118 VAL CB C 153 31.600 31.600 31.982 -0.382 17578 8525 1 15 . 1 1 118 118 VAL H H 153 8.665 8.665 8.019 0.646 17578 8526 1 15 . 1 1 119 119 GLN N N 154 118.232 118.232 119.622 -1.390 17578 8527 1 15 . 1 1 119 119 GLN HA H 154 3.982 3.982 4.079 -0.097 17578 8528 1 15 . 1 1 119 119 GLN CA C 154 59.651 59.651 58.298 1.353 17578 8529 1 15 . 1 1 119 119 GLN CB C 154 28.478 28.478 29.018 -0.540 17578 8530 1 15 . 1 1 119 119 GLN H H 154 8.950 8.950 7.866 1.084 17578 8531 1 15 . 1 1 120 120 ALA N N 155 120.568 120.568 122.608 -2.040 17578 8532 1 15 . 1 1 120 120 ALA HA H 155 4.223 4.223 4.216 0.007 17578 8533 1 15 . 1 1 120 120 ALA CA C 155 55.071 55.071 53.099 1.972 17578 8534 1 15 . 1 1 120 120 ALA CB C 155 17.952 17.952 19.362 -1.410 17578 8535 1 15 . 1 1 120 120 ALA H H 155 7.486 7.486 7.998 -0.512 17578 8536 1 16 . 1 1 2 2 LYS N N 37 124.035 124.035 122.490 1.545 17578 8537 1 16 . 1 1 2 2 LYS HA H 37 4.064 4.064 4.310 -0.246 17578 8538 1 16 . 1 1 2 2 LYS H H 37 7.786 7.786 8.316 -0.530 17578 8539 1 16 . 1 1 3 3 LYS HA H 38 4.026 4.026 4.269 -0.243 17578 8540 1 16 . 1 1 3 3 LYS C C 38 179.176 179.176 178.316 0.860 17578 8541 1 16 . 1 1 3 3 LYS CA C 38 59.781 59.781 58.153 1.628 17578 8542 1 16 . 1 1 3 3 LYS CB C 38 32.626 32.626 32.367 0.259 17578 8543 1 16 . 1 1 4 4 LEU N N 39 122.003 122.003 120.026 1.977 17578 8544 1 16 . 1 1 4 4 LEU HA H 39 4.159 4.159 3.925 0.234 17578 8545 1 16 . 1 1 4 4 LEU C C 39 178.232 178.232 177.514 0.718 17578 8546 1 16 . 1 1 4 4 LEU CA C 39 57.470 57.470 58.537 -1.067 17578 8547 1 16 . 1 1 4 4 LEU CB C 39 40.343 40.343 41.804 -1.462 17578 8548 1 16 . 1 1 4 4 LEU H H 39 7.877 7.877 8.262 -0.385 17578 8549 1 16 . 1 1 5 5 ASN N N 40 118.692 118.692 116.963 1.729 17578 8550 1 16 . 1 1 5 5 ASN HA H 40 3.997 3.997 4.359 -0.362 17578 8551 1 16 . 1 1 5 5 ASN C C 40 176.054 176.054 177.483 -1.429 17578 8552 1 16 . 1 1 5 5 ASN CA C 40 57.622 57.622 56.093 1.529 17578 8553 1 16 . 1 1 5 5 ASN CB C 40 40.113 40.113 37.570 2.543 17578 8554 1 16 . 1 1 5 5 ASN H H 40 9.313 9.313 7.923 1.390 17578 8555 1 16 . 1 1 6 6 LYS N N 41 115.497 115.497 121.531 -6.034 17578 8556 1 16 . 1 1 6 6 LYS HA H 41 3.928 3.928 3.979 -0.051 17578 8557 1 16 . 1 1 6 6 LYS C C 41 179.133 179.133 179.138 -0.005 17578 8558 1 16 . 1 1 6 6 LYS CA C 41 59.909 59.909 59.098 0.811 17578 8559 1 16 . 1 1 6 6 LYS CB C 41 32.256 32.256 31.941 0.315 17578 8560 1 16 . 1 1 6 6 LYS H H 41 7.230 7.230 7.470 -0.240 17578 8561 1 16 . 1 1 7 7 LYS N N 42 118.961 118.961 119.928 -0.967 17578 8562 1 16 . 1 1 7 7 LYS HA H 42 4.040 4.040 4.050 -0.010 17578 8563 1 16 . 1 1 7 7 LYS C C 42 180.272 180.272 179.119 1.153 17578 8564 1 16 . 1 1 7 7 LYS CA C 42 59.988 59.988 59.282 0.706 17578 8565 1 16 . 1 1 7 7 LYS CB C 42 33.462 33.462 32.087 1.375 17578 8566 1 16 . 1 1 7 7 LYS H H 42 7.367 7.367 8.323 -0.956 17578 8567 1 16 . 1 1 8 8 VAL N N 43 122.400 122.400 119.206 3.194 17578 8568 1 16 . 1 1 8 8 VAL HA H 43 3.303 3.303 3.902 -0.599 17578 8569 1 16 . 1 1 8 8 VAL CA C 43 67.430 67.430 66.796 0.634 17578 8570 1 16 . 1 1 8 8 VAL CB C 43 31.374 31.374 31.286 0.088 17578 8571 1 16 . 1 1 8 8 VAL H H 43 9.215 9.215 8.343 0.872 17578 8572 1 16 . 1 1 9 9 LEU N N 44 119.626 119.626 121.653 -2.027 17578 8573 1 16 . 1 1 9 9 LEU HA H 44 3.833 3.833 4.137 -0.304 17578 8574 1 16 . 1 1 9 9 LEU CA C 44 58.453 58.453 57.849 0.604 17578 8575 1 16 . 1 1 9 9 LEU CB C 44 41.171 41.171 41.587 -0.416 17578 8576 1 16 . 1 1 9 9 LEU H H 44 8.471 8.471 8.392 0.079 17578 8577 1 16 . 1 1 10 10 LYS N N 45 119.761 119.761 118.810 0.951 17578 8578 1 16 . 1 1 10 10 LYS HA H 45 4.026 4.026 4.010 0.016 17578 8579 1 16 . 1 1 10 10 LYS CA C 45 59.919 59.919 60.117 -0.199 17578 8580 1 16 . 1 1 10 10 LYS CB C 45 32.430 32.430 32.179 0.251 17578 8581 1 16 . 1 1 10 10 LYS H H 45 7.883 7.883 8.177 -0.294 17578 8582 1 16 . 1 1 11 11 THR N N 46 116.469 116.469 117.732 -1.263 17578 8583 1 16 . 1 1 11 11 THR HA H 46 4.339 4.339 3.874 0.465 17578 8584 1 16 . 1 1 11 11 THR C C 46 175.987 175.987 176.536 -0.549 17578 8585 1 16 . 1 1 11 11 THR CB C 46 68.013 68.013 68.489 -0.476 17578 8586 1 16 . 1 1 11 11 THR H H 46 7.805 7.805 8.142 -0.337 17578 8587 1 16 . 1 1 12 12 VAL N N 47 121.907 121.907 121.147 0.760 17578 8588 1 16 . 1 1 12 12 VAL HA H 47 3.232 3.232 3.997 -0.765 17578 8589 1 16 . 1 1 12 12 VAL CA C 47 67.331 67.331 66.207 1.124 17578 8590 1 16 . 1 1 12 12 VAL CB C 47 31.438 31.438 31.921 -0.483 17578 8591 1 16 . 1 1 12 12 VAL H H 47 8.782 8.782 8.345 0.437 17578 8592 1 16 . 1 1 13 13 LYS N N 48 122.393 122.393 119.100 3.293 17578 8593 1 16 . 1 1 13 13 LYS HA H 48 4.258 4.258 4.016 0.242 17578 8594 1 16 . 1 1 13 13 LYS C C 48 179.808 179.808 178.919 0.889 17578 8595 1 16 . 1 1 13 13 LYS CA C 48 59.999 59.999 59.390 0.609 17578 8596 1 16 . 1 1 13 13 LYS CB C 48 32.553 32.553 32.172 0.381 17578 8597 1 16 . 1 1 13 13 LYS H H 48 8.171 8.171 7.907 0.264 17578 8598 1 16 . 1 1 14 14 LYS N N 49 118.852 118.852 118.054 0.798 17578 8599 1 16 . 1 1 14 14 LYS HA H 49 3.973 3.973 4.151 -0.178 17578 8600 1 16 . 1 1 14 14 LYS CA C 49 59.811 59.811 58.614 1.197 17578 8601 1 16 . 1 1 14 14 LYS CB C 49 33.389 33.389 32.512 0.877 17578 8602 1 16 . 1 1 14 14 LYS H H 49 7.941 7.941 7.877 0.064 17578 8603 1 16 . 1 1 15 15 ALA N N 50 122.047 122.047 122.866 -0.819 17578 8604 1 16 . 1 1 15 15 ALA HA H 50 3.496 3.496 3.934 -0.438 17578 8605 1 16 . 1 1 15 15 ALA CA C 50 54.709 54.709 54.499 0.210 17578 8606 1 16 . 1 1 15 15 ALA CB C 50 18.917 18.917 17.885 1.032 17578 8607 1 16 . 1 1 15 15 ALA H H 50 8.544 8.544 8.215 0.329 17578 8608 1 16 . 1 1 16 16 SER N N 51 116.561 116.561 113.801 2.760 17578 8609 1 16 . 1 1 16 16 SER HA H 51 4.730 4.730 4.084 0.646 17578 8610 1 16 . 1 1 16 16 SER C C 51 178.560 178.560 177.073 1.487 17578 8611 1 16 . 1 1 16 16 SER CA C 51 61.680 61.680 61.476 0.204 17578 8612 1 16 . 1 1 16 16 SER CB C 51 62.551 62.551 62.981 -0.430 17578 8613 1 16 . 1 1 16 16 SER H H 51 8.551 8.551 8.131 0.420 17578 8614 1 16 . 1 1 17 17 LYS N N 52 124.890 124.890 120.768 4.122 17578 8615 1 16 . 1 1 17 17 LYS HA H 52 4.072 4.072 4.111 -0.039 17578 8616 1 16 . 1 1 17 17 LYS C C 52 177.377 177.377 177.447 -0.070 17578 8617 1 16 . 1 1 17 17 LYS CA C 52 58.931 58.931 58.375 0.556 17578 8618 1 16 . 1 1 17 17 LYS CB C 52 31.961 31.961 32.217 -0.256 17578 8619 1 16 . 1 1 17 17 LYS H H 52 7.578 7.578 7.730 -0.152 17578 8620 1 16 . 1 1 18 18 ALA N N 53 118.628 118.628 118.904 -0.276 17578 8621 1 16 . 1 1 18 18 ALA HA H 53 4.285 4.285 4.311 -0.026 17578 8622 1 16 . 1 1 18 18 ALA C C 53 175.061 175.061 176.698 -1.637 17578 8623 1 16 . 1 1 18 18 ALA CA C 53 51.822 51.822 51.491 0.331 17578 8624 1 16 . 1 1 18 18 ALA CB C 53 19.390 19.390 19.145 0.245 17578 8625 1 16 . 1 1 18 18 ALA H H 53 7.112 7.112 7.488 -0.376 17578 8626 1 16 . 1 1 19 19 LYS N N 54 111.984 111.984 115.425 -3.441 17578 8627 1 16 . 1 1 19 19 LYS HA H 54 4.026 4.026 4.016 0.010 17578 8628 1 16 . 1 1 19 19 LYS CA C 54 57.222 57.222 57.107 0.115 17578 8629 1 16 . 1 1 19 19 LYS CB C 54 28.387 28.387 30.300 -1.913 17578 8630 1 16 . 1 1 19 19 LYS H H 54 7.653 7.653 7.693 -0.040 17578 8631 1 16 . 1 1 20 20 ASN N N 55 116.088 116.088 115.334 0.754 17578 8632 1 16 . 1 1 20 20 ASN HA H 55 5.102 5.102 4.880 0.222 17578 8633 1 16 . 1 1 20 20 ASN C C 55 172.975 172.975 174.213 -1.238 17578 8634 1 16 . 1 1 20 20 ASN CA C 55 51.215 51.215 52.609 -1.394 17578 8635 1 16 . 1 1 20 20 ASN CB C 55 40.316 40.316 39.151 1.165 17578 8636 1 16 . 1 1 20 20 ASN H H 55 8.118 8.118 7.736 0.382 17578 8637 1 16 . 1 1 21 21 VAL N N 56 114.959 114.959 118.496 -3.537 17578 8638 1 16 . 1 1 21 21 VAL HA H 56 4.938 4.938 4.280 0.658 17578 8639 1 16 . 1 1 21 21 VAL C C 56 175.409 175.409 173.661 1.748 17578 8640 1 16 . 1 1 21 21 VAL CA C 56 60.901 60.901 60.572 0.329 17578 8641 1 16 . 1 1 21 21 VAL CB C 56 35.368 35.368 35.011 0.357 17578 8642 1 16 . 1 1 21 21 VAL H H 56 7.628 7.628 7.429 0.199 17578 8643 1 16 . 1 1 22 22 LYS N N 57 126.485 126.485 125.034 1.451 17578 8644 1 16 . 1 1 22 22 LYS HA H 57 4.712 4.712 4.682 0.030 17578 8645 1 16 . 1 1 22 22 LYS C C 57 175.394 175.394 174.081 1.313 17578 8646 1 16 . 1 1 22 22 LYS CA C 57 54.485 54.485 54.394 0.091 17578 8647 1 16 . 1 1 22 22 LYS CB C 57 33.669 33.669 37.090 -3.421 17578 8648 1 16 . 1 1 22 22 LYS H H 57 8.987 8.987 8.593 0.394 17578 8649 1 16 . 1 1 23 23 ARG N N 58 122.011 122.011 120.487 1.524 17578 8650 1 16 . 1 1 23 23 ARG HA H 58 4.837 4.837 5.006 -0.169 17578 8651 1 16 . 1 1 23 23 ARG C C 58 175.930 175.930 176.311 -0.381 17578 8652 1 16 . 1 1 23 23 ARG CA C 58 55.872 55.872 54.590 1.282 17578 8653 1 16 . 1 1 23 23 ARG CB C 58 33.513 33.513 31.914 1.599 17578 8654 1 16 . 1 1 23 23 ARG H H 58 9.024 9.024 8.535 0.489 17578 8655 1 16 . 1 1 24 24 GLY N N 59 111.007 111.007 110.655 0.352 17578 8656 1 16 . 1 1 24 24 GLY CA C 59 44.790 44.790 44.575 0.215 17578 8657 1 16 . 1 1 24 24 GLY H H 59 8.315 8.315 8.861 -0.546 17578 8658 1 16 . 1 1 25 25 VAL N N 60 119.423 119.423 120.847 -1.424 17578 8659 1 16 . 1 1 25 25 VAL HA H 60 3.156 3.156 3.627 -0.471 17578 8660 1 16 . 1 1 25 25 VAL C C 60 176.562 176.562 176.821 -0.259 17578 8661 1 16 . 1 1 25 25 VAL CA C 60 68.037 68.037 64.985 3.052 17578 8662 1 16 . 1 1 25 25 VAL CB C 60 32.050 32.050 31.927 0.123 17578 8663 1 16 . 1 1 25 25 VAL H H 60 8.152 8.152 8.518 -0.366 17578 8664 1 16 . 1 1 26 26 LYS N N 61 117.316 117.316 119.579 -2.263 17578 8665 1 16 . 1 1 26 26 LYS HA H 61 3.919 3.919 4.058 -0.139 17578 8666 1 16 . 1 1 26 26 LYS C C 61 180.130 180.130 178.105 2.025 17578 8667 1 16 . 1 1 26 26 LYS CA C 61 60.157 60.157 59.902 0.255 17578 8668 1 16 . 1 1 26 26 LYS CB C 61 32.041 32.041 32.196 -0.155 17578 8669 1 16 . 1 1 26 26 LYS H H 61 8.156 8.156 8.384 -0.228 17578 8670 1 16 . 1 1 27 27 GLU N N 62 117.535 117.535 118.772 -1.237 17578 8671 1 16 . 1 1 27 27 GLU HA H 62 3.961 3.961 4.129 -0.168 17578 8672 1 16 . 1 1 27 27 GLU CA C 62 58.787 58.787 59.265 -0.478 17578 8673 1 16 . 1 1 27 27 GLU CB C 62 29.843 29.843 28.749 1.094 17578 8674 1 16 . 1 1 27 27 GLU H H 62 8.531 8.531 8.295 0.236 17578 8675 1 16 . 1 1 28 28 VAL N N 63 120.589 120.589 117.713 2.876 17578 8676 1 16 . 1 1 28 28 VAL HA H 63 3.498 3.498 3.157 0.341 17578 8677 1 16 . 1 1 28 28 VAL CA C 63 68.099 68.099 65.291 2.808 17578 8678 1 16 . 1 1 28 28 VAL CB C 63 31.376 31.376 30.674 0.702 17578 8679 1 16 . 1 1 28 28 VAL H H 63 8.255 8.255 7.650 0.605 17578 8680 1 16 . 1 1 29 29 VAL N N 64 118.570 118.570 120.649 -2.079 17578 8681 1 16 . 1 1 29 29 VAL HA H 64 3.359 3.359 3.651 -0.292 17578 8682 1 16 . 1 1 29 29 VAL C C 64 177.549 177.549 178.035 -0.486 17578 8683 1 16 . 1 1 29 29 VAL CA C 64 67.456 67.456 66.618 0.838 17578 8684 1 16 . 1 1 29 29 VAL CB C 64 31.233 31.233 30.678 0.555 17578 8685 1 16 . 1 1 29 29 VAL H H 64 8.535 8.535 7.842 0.693 17578 8686 1 16 . 1 1 30 30 LYS N N 65 117.926 117.926 120.543 -2.617 17578 8687 1 16 . 1 1 30 30 LYS HA H 65 3.875 3.875 3.935 -0.060 17578 8688 1 16 . 1 1 30 30 LYS CA C 65 59.811 59.811 59.853 -0.042 17578 8689 1 16 . 1 1 30 30 LYS CB C 65 32.715 32.715 32.383 0.332 17578 8690 1 16 . 1 1 30 30 LYS H H 65 7.538 7.538 8.008 -0.470 17578 8691 1 16 . 1 1 31 31 ALA N N 66 120.475 120.475 121.480 -1.005 17578 8692 1 16 . 1 1 31 31 ALA HA H 66 4.071 4.071 4.131 -0.060 17578 8693 1 16 . 1 1 31 31 ALA C C 66 179.596 179.596 179.502 0.094 17578 8694 1 16 . 1 1 31 31 ALA CA C 66 55.051 55.051 54.869 0.182 17578 8695 1 16 . 1 1 31 31 ALA CB C 66 18.901 18.901 17.889 1.012 17578 8696 1 16 . 1 1 31 31 ALA H H 66 7.496 7.496 7.888 -0.392 17578 8697 1 16 . 1 1 32 32 LEU N N 67 119.357 119.357 119.690 -0.333 17578 8698 1 16 . 1 1 32 32 LEU HA H 67 3.854 3.854 4.173 -0.319 17578 8699 1 16 . 1 1 32 32 LEU CA C 67 57.859 57.859 57.757 0.102 17578 8700 1 16 . 1 1 32 32 LEU CB C 67 42.442 42.442 42.002 0.440 17578 8701 1 16 . 1 1 32 32 LEU H H 67 8.376 8.376 7.819 0.557 17578 8702 1 16 . 1 1 33 33 ARG N N 68 116.045 116.045 117.605 -1.560 17578 8703 1 16 . 1 1 33 33 ARG HA H 68 3.802 3.802 4.119 -0.317 17578 8704 1 16 . 1 1 33 33 ARG CA C 68 59.306 59.306 58.132 1.174 17578 8705 1 16 . 1 1 33 33 ARG CB C 68 29.759 29.759 30.530 -0.771 17578 8706 1 16 . 1 1 33 33 ARG H H 68 8.091 8.091 7.984 0.107 17578 8707 1 16 . 1 1 34 34 LYS N N 69 117.845 117.845 117.068 0.777 17578 8708 1 16 . 1 1 34 34 LYS HA H 69 4.255 4.255 4.205 0.050 17578 8709 1 16 . 1 1 34 34 LYS C C 69 176.831 176.831 177.880 -1.049 17578 8710 1 16 . 1 1 34 34 LYS CA C 69 56.548 56.548 57.622 -1.074 17578 8711 1 16 . 1 1 34 34 LYS CB C 69 32.710 32.710 33.306 -0.596 17578 8712 1 16 . 1 1 34 34 LYS H H 69 7.616 7.616 7.906 -0.290 17578 8713 1 16 . 1 1 35 35 GLY N N 70 106.783 106.783 106.007 0.776 17578 8714 1 16 . 1 1 35 35 GLY CA C 70 45.537 45.537 45.340 0.196 17578 8715 1 16 . 1 1 35 35 GLY H H 70 7.739 7.739 8.550 -0.811 17578 8716 1 16 . 1 1 36 36 GLU N N 71 119.424 119.424 120.634 -1.210 17578 8717 1 16 . 1 1 36 36 GLU HA H 71 4.226 4.226 4.277 -0.051 17578 8718 1 16 . 1 1 36 36 GLU C C 71 175.400 175.400 176.999 -1.599 17578 8719 1 16 . 1 1 36 36 GLU CA C 71 57.414 57.414 56.437 0.977 17578 8720 1 16 . 1 1 36 36 GLU CB C 71 29.442 29.442 29.198 0.243 17578 8721 1 16 . 1 1 36 36 GLU H H 71 7.698 7.698 8.808 -1.110 17578 8722 1 16 . 1 1 37 37 LYS N N 72 118.290 118.290 120.319 -2.029 17578 8723 1 16 . 1 1 37 37 LYS HA H 72 4.903 4.903 4.239 0.664 17578 8724 1 16 . 1 1 37 37 LYS C C 72 175.809 175.809 176.635 -0.826 17578 8725 1 16 . 1 1 37 37 LYS CA C 72 53.791 53.791 56.949 -3.158 17578 8726 1 16 . 1 1 37 37 LYS CB C 72 34.781 34.781 32.010 2.771 17578 8727 1 16 . 1 1 37 37 LYS H H 72 8.223 8.223 7.341 0.882 17578 8728 1 16 . 1 1 38 38 GLY N N 73 104.682 104.682 109.526 -4.844 17578 8729 1 16 . 1 1 38 38 GLY C C 73 171.884 171.884 173.668 -1.784 17578 8730 1 16 . 1 1 38 38 GLY CA C 73 46.360 46.360 45.092 1.268 17578 8731 1 16 . 1 1 38 38 GLY H H 73 7.217 7.217 8.363 -1.146 17578 8732 1 16 . 1 1 39 39 LEU N N 74 125.372 125.372 121.376 3.996 17578 8733 1 16 . 1 1 39 39 LEU HA H 74 4.994 4.994 4.735 0.259 17578 8734 1 16 . 1 1 39 39 LEU C C 74 174.380 174.380 175.906 -1.526 17578 8735 1 16 . 1 1 39 39 LEU CA C 74 54.363 54.363 53.403 0.960 17578 8736 1 16 . 1 1 39 39 LEU CB C 74 47.028 47.028 44.766 2.262 17578 8737 1 16 . 1 1 39 39 LEU H H 74 8.945 8.945 8.049 0.896 17578 8738 1 16 . 1 1 40 40 VAL N N 75 130.967 130.967 123.249 7.718 17578 8739 1 16 . 1 1 40 40 VAL HA H 75 4.644 4.644 4.325 0.319 17578 8740 1 16 . 1 1 40 40 VAL C C 75 173.667 173.667 175.054 -1.387 17578 8741 1 16 . 1 1 40 40 VAL CA C 75 62.273 62.273 61.946 0.327 17578 8742 1 16 . 1 1 40 40 VAL CB C 75 32.591 32.591 32.579 0.012 17578 8743 1 16 . 1 1 40 40 VAL H H 75 8.551 8.551 8.562 -0.011 17578 8744 1 16 . 1 1 41 41 VAL N N 76 127.493 127.493 127.355 0.138 17578 8745 1 16 . 1 1 41 41 VAL HA H 76 4.660 4.660 4.359 0.301 17578 8746 1 16 . 1 1 41 41 VAL C C 76 173.669 173.669 174.641 -0.972 17578 8747 1 16 . 1 1 41 41 VAL CA C 76 60.899 60.899 61.146 -0.247 17578 8748 1 16 . 1 1 41 41 VAL CB C 76 33.346 33.346 33.139 0.207 17578 8749 1 16 . 1 1 41 41 VAL H H 76 8.804 8.804 9.157 -0.353 17578 8750 1 16 . 1 1 42 42 ILE N N 77 125.646 125.646 126.586 -0.940 17578 8751 1 16 . 1 1 42 42 ILE HA H 77 4.444 4.444 4.412 0.032 17578 8752 1 16 . 1 1 42 42 ILE C C 77 174.817 174.817 174.263 0.554 17578 8753 1 16 . 1 1 42 42 ILE CA C 77 59.700 59.700 58.204 1.496 17578 8754 1 16 . 1 1 42 42 ILE CB C 77 39.977 39.977 39.595 0.382 17578 8755 1 16 . 1 1 42 42 ILE H H 77 8.613 8.613 8.486 0.127 17578 8756 1 16 . 1 1 43 43 ALA N N 78 128.691 128.691 128.834 -0.143 17578 8757 1 16 . 1 1 43 43 ALA HA H 78 4.459 4.459 5.170 -0.711 17578 8758 1 16 . 1 1 43 43 ALA C C 78 177.584 177.584 178.342 -0.758 17578 8759 1 16 . 1 1 43 43 ALA CA C 78 52.372 52.372 49.912 2.460 17578 8760 1 16 . 1 1 43 43 ALA CB C 78 19.504 19.504 19.646 -0.142 17578 8761 1 16 . 1 1 43 43 ALA H H 78 8.565 8.565 8.040 0.525 17578 8762 1 16 . 1 1 44 44 GLY N N 79 103.957 103.957 109.882 -5.925 17578 8763 1 16 . 1 1 44 44 GLY C C 79 173.252 173.252 174.240 -0.988 17578 8764 1 16 . 1 1 44 44 GLY CA C 79 45.764 45.764 46.413 -0.649 17578 8765 1 16 . 1 1 44 44 GLY H H 79 9.083 9.083 8.913 0.170 17578 8766 1 16 . 1 1 45 45 ASP N N 80 118.632 118.632 119.559 -0.927 17578 8767 1 16 . 1 1 45 45 ASP HA H 80 4.918 4.918 4.705 0.213 17578 8768 1 16 . 1 1 45 45 ASP CA C 80 52.689 52.689 53.225 -0.536 17578 8769 1 16 . 1 1 45 45 ASP CB C 80 39.118 39.118 40.736 -1.618 17578 8770 1 16 . 1 1 45 45 ASP H H 80 8.695 8.695 7.912 0.783 17578 8771 1 16 . 1 1 46 46 ILE N N 81 117.935 117.935 117.693 0.242 17578 8772 1 16 . 1 1 46 46 ILE HA H 81 4.179 4.179 3.878 0.301 17578 8773 1 16 . 1 1 46 46 ILE C C 81 172.890 172.890 173.709 -0.819 17578 8774 1 16 . 1 1 46 46 ILE CA C 81 59.242 59.242 59.156 0.086 17578 8775 1 16 . 1 1 46 46 ILE CB C 81 39.253 39.253 41.359 -2.106 17578 8776 1 16 . 1 1 46 46 ILE H H 81 6.730 6.730 7.061 -0.331 17578 8777 1 16 . 1 1 47 47 TRP N N 82 123.585 123.585 125.078 -1.493 17578 8778 1 16 . 1 1 47 47 TRP HA H 82 4.587 4.587 5.246 -0.659 17578 8779 1 16 . 1 1 47 47 TRP CA C 82 55.386 55.386 53.944 1.442 17578 8780 1 16 . 1 1 47 47 TRP CB C 82 32.147 32.147 29.075 3.072 17578 8781 1 16 . 1 1 47 47 TRP H H 82 7.804 7.804 7.762 0.042 17578 8782 1 16 . 1 1 48 48 PRO HA H 83 4.248 4.248 4.597 -0.349 17578 8783 1 16 . 1 1 48 48 PRO CA C 83 62.712 62.712 62.379 0.333 17578 8784 1 16 . 1 1 48 48 PRO CB C 83 34.011 34.011 32.573 1.438 17578 8785 1 16 . 1 1 49 49 ALA N N 84 121.827 121.827 120.340 1.487 17578 8786 1 16 . 1 1 49 49 ALA HA H 84 3.969 3.969 4.280 -0.311 17578 8787 1 16 . 1 1 49 49 ALA CA C 84 54.183 54.183 52.597 1.585 17578 8788 1 16 . 1 1 49 49 ALA CB C 84 19.404 19.404 18.601 0.803 17578 8789 1 16 . 1 1 49 49 ALA H H 84 8.198 8.198 8.526 -0.328 17578 8790 1 16 . 1 1 50 50 ASP N N 85 114.049 114.049 119.717 -5.668 17578 8791 1 16 . 1 1 50 50 ASP HA H 85 4.301 4.301 4.372 -0.071 17578 8792 1 16 . 1 1 50 50 ASP C C 85 177.428 177.428 177.972 -0.544 17578 8793 1 16 . 1 1 50 50 ASP CA C 85 55.777 55.777 56.724 -0.947 17578 8794 1 16 . 1 1 50 50 ASP CB C 85 40.060 40.060 40.631 -0.571 17578 8795 1 16 . 1 1 50 50 ASP H H 85 8.008 8.008 8.753 -0.745 17578 8796 1 16 . 1 1 51 51 VAL N N 86 116.790 116.790 116.707 0.083 17578 8797 1 16 . 1 1 51 51 VAL HA H 86 3.841 3.841 3.676 0.165 17578 8798 1 16 . 1 1 51 51 VAL C C 86 176.231 176.231 177.244 -1.013 17578 8799 1 16 . 1 1 51 51 VAL CA C 86 65.332 65.332 65.007 0.325 17578 8800 1 16 . 1 1 51 51 VAL CB C 86 32.123 32.123 30.663 1.460 17578 8801 1 16 . 1 1 51 51 VAL H H 86 7.542 7.542 7.459 0.083 17578 8802 1 16 . 1 1 52 52 ILE N N 87 107.529 107.529 120.661 -13.132 17578 8803 1 16 . 1 1 52 52 ILE HA H 87 4.638 4.638 3.654 0.984 17578 8804 1 16 . 1 1 52 52 ILE C C 87 178.026 178.026 177.762 0.264 17578 8805 1 16 . 1 1 52 52 ILE CA C 87 59.806 59.806 64.378 -4.572 17578 8806 1 16 . 1 1 52 52 ILE CB C 87 40.742 40.742 37.502 3.240 17578 8807 1 16 . 1 1 52 52 ILE H H 87 7.310 7.310 8.526 -1.216 17578 8808 1 16 . 1 1 53 53 SER N N 88 116.004 116.004 114.360 1.644 17578 8809 1 16 . 1 1 53 53 SER HA H 88 4.566 4.566 4.366 0.200 17578 8810 1 16 . 1 1 53 53 SER CA C 88 61.760 61.760 60.828 0.932 17578 8811 1 16 . 1 1 53 53 SER CB C 88 62.391 62.391 63.855 -1.464 17578 8812 1 16 . 1 1 53 53 SER H H 88 7.827 7.827 8.142 -0.315 17578 8813 1 16 . 1 1 54 54 HIS HA H 89 4.572 4.572 4.399 0.173 17578 8814 1 16 . 1 1 54 54 HIS CA C 89 56.789 56.789 59.333 -2.544 17578 8815 1 16 . 1 1 54 54 HIS CB C 89 30.527 30.527 30.209 0.318 17578 8816 1 16 . 1 1 55 55 ILE N N 90 120.579 120.579 121.075 -0.496 17578 8817 1 16 . 1 1 55 55 ILE HA H 90 3.512 3.512 3.870 -0.358 17578 8818 1 16 . 1 1 55 55 ILE CA C 90 65.424 65.424 65.253 0.171 17578 8819 1 16 . 1 1 55 55 ILE CB C 90 34.176 34.176 34.887 -0.711 17578 8820 1 16 . 1 1 55 55 ILE H H 90 7.764 7.764 8.172 -0.408 17578 8821 1 16 . 1 1 56 56 PRO HA H 91 2.942 2.942 4.419 -1.477 17578 8822 1 16 . 1 1 56 56 PRO C C 91 177.032 177.032 179.091 -2.059 17578 8823 1 16 . 1 1 56 56 PRO CA C 91 66.842 66.842 65.735 1.107 17578 8824 1 16 . 1 1 56 56 PRO CB C 91 31.206 31.206 31.536 -0.330 17578 8825 1 16 . 1 1 57 57 VAL N N 92 114.379 114.379 119.479 -5.100 17578 8826 1 16 . 1 1 57 57 VAL HA H 92 3.574 3.574 3.786 -0.212 17578 8827 1 16 . 1 1 57 57 VAL CA C 92 65.900 65.900 66.304 -0.404 17578 8828 1 16 . 1 1 57 57 VAL CB C 92 31.600 31.600 32.018 -0.418 17578 8829 1 16 . 1 1 57 57 VAL H H 92 6.497 6.497 7.637 -1.140 17578 8830 1 16 . 1 1 58 58 LEU N N 93 120.522 120.522 119.461 1.061 17578 8831 1 16 . 1 1 58 58 LEU HA H 93 4.227 4.227 4.112 0.115 17578 8832 1 16 . 1 1 58 58 LEU C C 93 180.251 180.251 178.167 2.084 17578 8833 1 16 . 1 1 58 58 LEU CA C 93 57.838 57.838 58.070 -0.232 17578 8834 1 16 . 1 1 58 58 LEU CB C 93 43.172 43.172 41.369 1.803 17578 8835 1 16 . 1 1 58 58 LEU H H 93 7.460 7.460 7.588 -0.128 17578 8836 1 16 . 1 1 59 59 CYS N N 94 117.195 117.195 118.155 -0.960 17578 8837 1 16 . 1 1 59 59 CYS HA H 94 3.867 3.867 4.352 -0.485 17578 8838 1 16 . 1 1 59 59 CYS C C 94 176.362 176.362 176.638 -0.276 17578 8839 1 16 . 1 1 59 59 CYS CA C 94 65.379 65.379 62.447 2.932 17578 8840 1 16 . 1 1 59 59 CYS CB C 94 26.344 26.344 27.532 -1.188 17578 8841 1 16 . 1 1 59 59 CYS H H 94 8.335 8.335 8.052 0.283 17578 8842 1 16 . 1 1 60 60 GLU N N 95 120.777 120.777 119.295 1.482 17578 8843 1 16 . 1 1 60 60 GLU HA H 95 4.209 4.209 4.147 0.062 17578 8844 1 16 . 1 1 60 60 GLU CA C 95 59.760 59.760 58.713 1.047 17578 8845 1 16 . 1 1 60 60 GLU CB C 95 29.201 29.201 29.802 -0.601 17578 8846 1 16 . 1 1 60 60 GLU H H 95 8.235 8.235 8.214 0.021 17578 8847 1 16 . 1 1 61 61 ASP N N 96 120.910 120.910 118.249 2.661 17578 8848 1 16 . 1 1 61 61 ASP HA H 96 4.292 4.292 4.604 -0.312 17578 8849 1 16 . 1 1 61 61 ASP C C 96 177.890 177.890 177.268 0.622 17578 8850 1 16 . 1 1 61 61 ASP CA C 96 57.235 57.235 56.176 1.059 17578 8851 1 16 . 1 1 61 61 ASP CB C 96 40.580 40.580 41.218 -0.638 17578 8852 1 16 . 1 1 61 61 ASP H H 96 8.509 8.509 7.784 0.725 17578 8853 1 16 . 1 1 62 62 HIS N N 97 115.923 115.923 117.345 -1.422 17578 8854 1 16 . 1 1 62 62 HIS HA H 97 4.495 4.495 4.872 -0.377 17578 8855 1 16 . 1 1 62 62 HIS C C 97 173.548 173.548 174.444 -0.896 17578 8856 1 16 . 1 1 62 62 HIS CA C 97 57.290 57.290 55.270 2.020 17578 8857 1 16 . 1 1 62 62 HIS CB C 97 29.997 29.997 32.074 -2.077 17578 8858 1 16 . 1 1 62 62 HIS H H 97 7.635 7.635 7.860 -0.225 17578 8859 1 16 . 1 1 63 63 SER N N 98 114.634 114.634 113.216 1.418 17578 8860 1 16 . 1 1 63 63 SER HA H 98 4.489 4.489 4.104 0.385 17578 8861 1 16 . 1 1 63 63 SER C C 98 173.949 173.949 172.388 1.561 17578 8862 1 16 . 1 1 63 63 SER CA C 98 58.842 58.842 58.643 0.199 17578 8863 1 16 . 1 1 63 63 SER CB C 98 61.396 61.396 62.466 -1.070 17578 8864 1 16 . 1 1 63 63 SER H H 98 7.888 7.888 7.926 -0.038 17578 8865 1 16 . 1 1 64 64 VAL N N 99 123.090 123.090 123.533 -0.443 17578 8866 1 16 . 1 1 64 64 VAL HA H 99 4.721 4.721 4.214 0.507 17578 8867 1 16 . 1 1 64 64 VAL CA C 99 58.978 58.978 58.525 0.453 17578 8868 1 16 . 1 1 64 64 VAL CB C 99 35.228 35.228 35.114 0.114 17578 8869 1 16 . 1 1 64 64 VAL H H 99 8.590 8.590 7.802 0.788 17578 8870 1 16 . 1 1 65 65 PRO HA H 100 4.263 4.263 4.026 0.237 17578 8871 1 16 . 1 1 65 65 PRO C C 100 173.191 173.191 175.382 -2.191 17578 8872 1 16 . 1 1 65 65 PRO CA C 100 63.427 63.427 62.509 0.918 17578 8873 1 16 . 1 1 65 65 PRO CB C 100 31.863 31.863 31.928 -0.065 17578 8874 1 16 . 1 1 66 66 TYR N N 101 114.702 114.702 119.742 -5.040 17578 8875 1 16 . 1 1 66 66 TYR HA H 101 5.925 5.925 5.598 0.327 17578 8876 1 16 . 1 1 66 66 TYR CA C 101 53.501 53.501 55.184 -1.683 17578 8877 1 16 . 1 1 66 66 TYR CB C 101 41.793 41.793 41.623 0.170 17578 8878 1 16 . 1 1 66 66 TYR H H 101 6.243 6.243 7.555 -1.312 17578 8879 1 16 . 1 1 67 67 ILE N N 102 111.885 111.885 117.983 -6.098 17578 8880 1 16 . 1 1 67 67 ILE HA H 102 4.502 4.502 4.448 0.054 17578 8881 1 16 . 1 1 67 67 ILE C C 102 172.358 172.358 174.242 -1.884 17578 8882 1 16 . 1 1 67 67 ILE CA C 102 55.442 55.442 60.314 -4.872 17578 8883 1 16 . 1 1 67 67 ILE CB C 102 43.124 43.124 42.483 0.641 17578 8884 1 16 . 1 1 67 67 ILE H H 102 7.986 7.986 8.406 -0.420 17578 8885 1 16 . 1 1 68 68 PHE N N 103 122.274 122.274 128.511 -6.237 17578 8886 1 16 . 1 1 68 68 PHE HA H 103 5.087 5.087 4.788 0.299 17578 8887 1 16 . 1 1 68 68 PHE C C 103 176.173 176.173 174.944 1.229 17578 8888 1 16 . 1 1 68 68 PHE CA C 103 56.103 56.103 57.591 -1.488 17578 8889 1 16 . 1 1 68 68 PHE CB C 103 39.891 39.891 39.567 0.324 17578 8890 1 16 . 1 1 68 68 PHE H H 103 8.108 8.108 8.717 -0.609 17578 8891 1 16 . 1 1 69 69 ILE N N 104 114.613 114.613 121.358 -6.745 17578 8892 1 16 . 1 1 69 69 ILE HA H 104 4.927 4.927 4.894 0.033 17578 8893 1 16 . 1 1 69 69 ILE CA C 104 57.831 57.831 57.777 0.054 17578 8894 1 16 . 1 1 69 69 ILE CB C 104 38.302 38.302 39.941 -1.639 17578 8895 1 16 . 1 1 69 69 ILE H H 104 8.843 8.843 8.328 0.515 17578 8896 1 16 . 1 1 70 70 PRO HA H 105 4.093 4.093 4.530 -0.437 17578 8897 1 16 . 1 1 70 70 PRO CA C 105 66.439 66.439 63.293 3.146 17578 8898 1 16 . 1 1 70 70 PRO CB C 105 32.879 32.879 32.436 0.443 17578 8899 1 16 . 1 1 71 71 SER N N 106 106.896 106.896 112.037 -5.141 17578 8900 1 16 . 1 1 71 71 SER HA H 106 5.227 5.227 4.447 0.780 17578 8901 1 16 . 1 1 71 71 SER CA C 106 55.373 55.373 59.990 -4.617 17578 8902 1 16 . 1 1 71 71 SER CB C 106 64.696 64.696 64.021 0.675 17578 8903 1 16 . 1 1 71 71 SER H H 106 7.548 7.548 8.494 -0.946 17578 8904 1 16 . 1 1 72 72 LYS N N 107 119.881 119.881 123.650 -3.769 17578 8905 1 16 . 1 1 72 72 LYS HA H 107 4.191 4.191 3.835 0.356 17578 8906 1 16 . 1 1 72 72 LYS CA C 107 58.623 58.623 60.623 -2.000 17578 8907 1 16 . 1 1 72 72 LYS CB C 107 30.957 30.957 32.027 -1.070 17578 8908 1 16 . 1 1 72 72 LYS H H 107 8.328 8.328 8.647 -0.319 17578 8909 1 16 . 1 1 73 73 GLN N N 108 123.720 123.720 116.589 7.131 17578 8910 1 16 . 1 1 73 73 GLN HA H 108 4.013 4.013 4.199 -0.186 17578 8911 1 16 . 1 1 73 73 GLN CA C 108 58.621 58.621 58.461 0.160 17578 8912 1 16 . 1 1 73 73 GLN CB C 108 28.331 28.331 28.504 -0.173 17578 8913 1 16 . 1 1 73 73 GLN H H 108 8.543 8.543 8.440 0.103 17578 8914 1 16 . 1 1 74 74 ASP N N 109 121.068 121.068 120.443 0.625 17578 8915 1 16 . 1 1 74 74 ASP HA H 109 4.353 4.353 4.363 -0.010 17578 8916 1 16 . 1 1 74 74 ASP CA C 109 56.941 56.941 57.581 -0.640 17578 8917 1 16 . 1 1 74 74 ASP CB C 109 40.403 40.403 40.519 -0.116 17578 8918 1 16 . 1 1 74 74 ASP H H 109 7.998 7.998 8.616 -0.618 17578 8919 1 16 . 1 1 75 75 LEU N N 110 120.670 120.670 120.493 0.177 17578 8920 1 16 . 1 1 75 75 LEU HA H 110 3.967 3.967 4.195 -0.228 17578 8921 1 16 . 1 1 75 75 LEU C C 110 178.753 178.753 179.456 -0.703 17578 8922 1 16 . 1 1 75 75 LEU CA C 110 57.080 57.080 57.033 0.047 17578 8923 1 16 . 1 1 75 75 LEU CB C 110 41.235 41.235 41.754 -0.519 17578 8924 1 16 . 1 1 75 75 LEU H H 110 7.999 7.999 7.679 0.320 17578 8925 1 16 . 1 1 76 76 GLY N N 111 105.512 105.512 107.113 -1.601 17578 8926 1 16 . 1 1 76 76 GLY C C 111 175.517 175.517 174.599 0.918 17578 8927 1 16 . 1 1 76 76 GLY CA C 111 46.745 46.745 47.192 -0.447 17578 8928 1 16 . 1 1 76 76 GLY H H 111 8.012 8.012 8.259 -0.247 17578 8929 1 16 . 1 1 77 77 ALA N N 112 122.891 122.891 123.018 -0.127 17578 8930 1 16 . 1 1 77 77 ALA HA H 112 4.180 4.180 4.341 -0.161 17578 8931 1 16 . 1 1 77 77 ALA CA C 112 53.652 53.652 53.917 -0.265 17578 8932 1 16 . 1 1 77 77 ALA CB C 112 18.482 18.482 18.644 -0.162 17578 8933 1 16 . 1 1 77 77 ALA H H 112 7.785 7.785 7.879 -0.094 17578 8934 1 16 . 1 1 78 78 ALA N N 113 121.205 121.205 119.546 1.659 17578 8935 1 16 . 1 1 78 78 ALA HA H 113 4.213 4.213 4.092 0.121 17578 8936 1 16 . 1 1 78 78 ALA CA C 113 53.503 53.503 54.198 -0.695 17578 8937 1 16 . 1 1 78 78 ALA CB C 113 18.897 18.897 18.857 0.040 17578 8938 1 16 . 1 1 78 78 ALA H H 113 7.787 7.787 7.967 -0.180 17578 8939 1 16 . 1 1 79 79 GLY N N 114 104.082 104.082 104.791 -0.709 17578 8940 1 16 . 1 1 79 79 GLY CA C 114 44.764 44.764 44.824 -0.060 17578 8941 1 16 . 1 1 79 79 GLY H H 114 7.756 7.756 7.863 -0.107 17578 8942 1 16 . 1 1 80 80 ALA HA H 115 4.061 4.061 4.473 -0.412 17578 8943 1 16 . 1 1 80 80 ALA CA C 115 53.192 53.192 52.071 1.121 17578 8944 1 16 . 1 1 80 80 ALA CB C 115 19.493 19.493 19.383 0.110 17578 8945 1 16 . 1 1 81 81 THR N N 116 116.258 116.258 113.391 2.867 17578 8946 1 16 . 1 1 81 81 THR CA C 116 57.223 57.223 62.359 -5.136 17578 8947 1 16 . 1 1 81 81 THR CB C 116 64.784 64.784 67.362 -2.578 17578 8948 1 16 . 1 1 81 81 THR H H 116 8.121 8.121 8.360 -0.239 17578 8949 1 16 . 1 1 83 83 ARG N N 118 122.269 122.269 121.711 0.558 17578 8950 1 16 . 1 1 83 83 ARG H H 118 8.128 8.128 8.321 -0.193 17578 8951 1 16 . 1 1 85 85 THR N N 120 120.171 120.171 116.671 3.500 17578 8952 1 16 . 1 1 85 85 THR C C 120 172.729 172.729 174.036 -1.307 17578 8953 1 16 . 1 1 85 85 THR H H 120 8.127 8.127 7.977 0.150 17578 8954 1 16 . 1 1 86 86 SER N N 121 115.808 115.808 114.506 1.302 17578 8955 1 16 . 1 1 86 86 SER HA H 121 4.280 4.280 4.472 -0.192 17578 8956 1 16 . 1 1 86 86 SER CA C 121 59.573 59.573 58.939 0.634 17578 8957 1 16 . 1 1 86 86 SER CB C 121 64.384 64.384 63.984 0.400 17578 8958 1 16 . 1 1 86 86 SER H H 121 7.045 7.045 8.086 -1.041 17578 8959 1 16 . 1 1 87 87 VAL N N 122 115.790 115.790 119.898 -4.108 17578 8960 1 16 . 1 1 87 87 VAL HA H 122 5.203 5.203 4.578 0.625 17578 8961 1 16 . 1 1 87 87 VAL CA C 122 59.412 59.412 60.256 -0.844 17578 8962 1 16 . 1 1 87 87 VAL CB C 122 32.729 32.729 31.469 1.260 17578 8963 1 16 . 1 1 87 87 VAL H H 122 7.082 7.082 7.796 -0.714 17578 8964 1 16 . 1 1 88 88 VAL N N 123 119.313 119.313 128.299 -8.986 17578 8965 1 16 . 1 1 88 88 VAL HA H 123 5.097 5.097 5.393 -0.296 17578 8966 1 16 . 1 1 88 88 VAL C C 123 172.990 172.990 173.535 -0.545 17578 8967 1 16 . 1 1 88 88 VAL CA C 123 58.925 58.925 59.075 -0.150 17578 8968 1 16 . 1 1 88 88 VAL CB C 123 35.929 35.929 35.787 0.142 17578 8969 1 16 . 1 1 88 88 VAL H H 123 8.948 8.948 8.254 0.694 17578 8970 1 16 . 1 1 89 89 PHE N N 124 122.616 122.616 127.118 -4.502 17578 8971 1 16 . 1 1 89 89 PHE HA H 124 5.641 5.641 5.478 0.163 17578 8972 1 16 . 1 1 89 89 PHE C C 124 174.686 174.686 172.864 1.822 17578 8973 1 16 . 1 1 89 89 PHE CA C 124 52.579 52.579 54.689 -2.110 17578 8974 1 16 . 1 1 89 89 PHE CB C 124 42.392 42.392 42.867 -0.475 17578 8975 1 16 . 1 1 89 89 PHE H H 124 9.065 9.065 9.154 -0.089 17578 8976 1 16 . 1 1 90 90 ILE N N 125 127.599 127.599 121.203 6.396 17578 8977 1 16 . 1 1 90 90 ILE HA H 125 4.268 4.268 4.112 0.156 17578 8978 1 16 . 1 1 90 90 ILE C C 125 173.652 173.652 174.905 -1.253 17578 8979 1 16 . 1 1 90 90 ILE CA C 125 61.605 61.605 59.492 2.113 17578 8980 1 16 . 1 1 90 90 ILE CB C 125 39.533 39.533 39.575 -0.042 17578 8981 1 16 . 1 1 90 90 ILE H H 125 9.498 9.498 9.017 0.481 17578 8982 1 16 . 1 1 91 91 VAL N N 126 126.693 126.693 123.881 2.812 17578 8983 1 16 . 1 1 91 91 VAL HA H 126 4.595 4.595 4.708 -0.113 17578 8984 1 16 . 1 1 91 91 VAL CA C 126 58.380 58.380 58.176 0.204 17578 8985 1 16 . 1 1 91 91 VAL CB C 126 32.597 32.597 32.421 0.176 17578 8986 1 16 . 1 1 91 91 VAL H H 126 8.169 8.169 8.817 -0.648 17578 8987 1 16 . 1 1 92 92 PRO HA H 127 4.044 4.044 4.470 -0.426 17578 8988 1 16 . 1 1 92 92 PRO CA C 127 63.380 63.380 62.930 0.450 17578 8989 1 16 . 1 1 92 92 PRO CB C 127 31.735 31.735 29.860 1.875 17578 8990 1 16 . 1 1 93 93 GLY N N 128 108.589 108.589 110.968 -2.379 17578 8991 1 16 . 1 1 93 93 GLY CA C 128 45.443 45.443 45.850 -0.407 17578 8992 1 16 . 1 1 93 93 GLY H H 128 8.022 8.022 8.945 -0.923 17578 8993 1 16 . 1 1 94 94 SER N N 129 113.115 113.115 112.828 0.287 17578 8994 1 16 . 1 1 94 94 SER H H 129 7.992 7.992 8.081 -0.089 17578 8995 1 16 . 1 1 95 95 ASN N N 130 120.738 120.738 119.911 0.827 17578 8996 1 16 . 1 1 95 95 ASN C C 130 178.419 178.419 176.720 1.699 17578 8997 1 16 . 1 1 95 95 ASN CA C 130 57.337 57.337 56.304 1.033 17578 8998 1 16 . 1 1 95 95 ASN CB C 130 41.958 41.958 38.501 3.458 17578 8999 1 16 . 1 1 95 95 ASN H H 130 8.313 8.313 8.724 -0.411 17578 9000 1 16 . 1 1 96 96 LYS N N 131 119.159 119.159 119.025 0.134 17578 9001 1 16 . 1 1 96 96 LYS HA H 131 4.021 4.021 4.322 -0.301 17578 9002 1 16 . 1 1 96 96 LYS CA C 131 58.749 58.749 58.157 0.592 17578 9003 1 16 . 1 1 96 96 LYS CB C 131 29.565 29.565 32.250 -2.685 17578 9004 1 16 . 1 1 96 96 LYS H H 131 7.881 7.881 8.179 -0.298 17578 9005 1 16 . 1 1 97 97 LYS N N 132 117.399 117.399 120.650 -3.251 17578 9006 1 16 . 1 1 97 97 LYS CA C 132 58.413 58.413 58.107 0.306 17578 9007 1 16 . 1 1 97 97 LYS CB C 132 30.694 30.694 31.563 -0.869 17578 9008 1 16 . 1 1 97 97 LYS H H 132 7.765 7.765 8.537 -0.772 17578 9009 1 16 . 1 1 98 98 LYS N N 133 119.160 119.160 116.923 2.237 17578 9010 1 16 . 1 1 98 98 LYS CA C 133 58.266 58.266 58.820 -0.554 17578 9011 1 16 . 1 1 98 98 LYS CB C 133 30.981 30.981 31.857 -0.876 17578 9012 1 16 . 1 1 98 98 LYS H H 133 8.070 8.070 7.587 0.483 17578 9013 1 16 . 1 1 99 99 ASP N N 134 120.602 120.602 121.170 -0.568 17578 9014 1 16 . 1 1 99 99 ASP CA C 134 55.586 55.586 52.634 2.952 17578 9015 1 16 . 1 1 99 99 ASP CB C 134 41.898 41.898 40.871 1.027 17578 9016 1 16 . 1 1 99 99 ASP H H 134 8.255 8.255 7.705 0.550 17578 9017 1 16 . 1 1 100 100 GLY N N 135 108.785 108.785 107.308 1.477 17578 9018 1 16 . 1 1 100 100 GLY CA C 135 45.536 45.536 44.646 0.890 17578 9019 1 16 . 1 1 100 100 GLY H H 135 8.451 8.451 7.826 0.625 17578 9020 1 16 . 1 1 101 101 LYS N N 136 120.171 120.171 120.307 -0.136 17578 9021 1 16 . 1 1 101 101 LYS H H 136 8.127 8.127 8.306 -0.179 17578 9022 1 16 . 1 1 102 102 ASN N N 137 118.588 118.588 121.124 -2.536 17578 9023 1 16 . 1 1 102 102 ASN H H 137 8.481 8.481 8.325 0.156 17578 9024 1 16 . 1 1 103 103 LYS N N 138 121.739 121.739 120.299 1.440 17578 9025 1 16 . 1 1 103 103 LYS HA H 138 4.241 4.241 4.467 -0.226 17578 9026 1 16 . 1 1 103 103 LYS CA C 138 56.760 56.760 56.888 -0.128 17578 9027 1 16 . 1 1 103 103 LYS CB C 138 32.691 32.691 32.114 0.577 17578 9028 1 16 . 1 1 103 103 LYS H H 138 8.318 8.318 8.575 -0.257 17578 9029 1 16 . 1 1 104 104 GLU N N 139 120.980 120.980 120.242 0.738 17578 9030 1 16 . 1 1 104 104 GLU CA C 139 57.235 57.235 59.824 -2.589 17578 9031 1 16 . 1 1 104 104 GLU CB C 139 29.893 29.893 29.247 0.646 17578 9032 1 16 . 1 1 104 104 GLU H H 139 8.478 8.478 8.568 -0.090 17578 9033 1 16 . 1 1 107 107 TYR N N 142 119.214 119.214 121.170 -1.956 17578 9034 1 16 . 1 1 107 107 TYR HA H 142 5.023 5.023 3.785 1.238 17578 9035 1 16 . 1 1 107 107 TYR C C 142 175.419 175.419 177.040 -1.621 17578 9036 1 16 . 1 1 107 107 TYR CA C 142 57.200 57.200 61.521 -4.321 17578 9037 1 16 . 1 1 107 107 TYR CB C 142 39.165 39.165 38.199 0.966 17578 9038 1 16 . 1 1 107 107 TYR H H 142 7.992 7.992 8.339 -0.347 17578 9039 1 16 . 1 1 108 108 LYS N N 143 123.500 123.500 119.186 4.314 17578 9040 1 16 . 1 1 108 108 LYS HA H 143 3.628 3.628 3.592 0.036 17578 9041 1 16 . 1 1 108 108 LYS CA C 143 59.619 59.619 59.317 0.302 17578 9042 1 16 . 1 1 108 108 LYS CB C 143 31.869 31.869 32.154 -0.285 17578 9043 1 16 . 1 1 108 108 LYS H H 143 7.377 7.377 8.157 -0.780 17578 9044 1 16 . 1 1 109 109 GLU N N 144 118.669 118.669 119.908 -1.239 17578 9045 1 16 . 1 1 109 109 GLU HA H 144 4.735 4.735 3.968 0.767 17578 9046 1 16 . 1 1 109 109 GLU CA C 144 59.865 59.865 59.898 -0.033 17578 9047 1 16 . 1 1 109 109 GLU CB C 144 29.004 29.004 29.508 -0.504 17578 9048 1 16 . 1 1 109 109 GLU H H 144 8.583 8.583 8.135 0.448 17578 9049 1 16 . 1 1 110 110 SER N N 145 116.081 116.081 116.167 -0.086 17578 9050 1 16 . 1 1 110 110 SER HA H 145 4.448 4.448 4.228 0.220 17578 9051 1 16 . 1 1 110 110 SER CB C 145 64.178 64.178 63.164 1.014 17578 9052 1 16 . 1 1 110 110 SER H H 145 8.117 8.117 7.952 0.165 17578 9053 1 16 . 1 1 111 111 PHE N N 146 122.134 122.134 121.934 0.200 17578 9054 1 16 . 1 1 111 111 PHE HA H 146 4.022 4.022 4.102 -0.080 17578 9055 1 16 . 1 1 111 111 PHE C C 146 175.751 175.751 177.463 -1.712 17578 9056 1 16 . 1 1 111 111 PHE CA C 146 62.159 62.159 59.570 2.589 17578 9057 1 16 . 1 1 111 111 PHE CB C 146 39.533 39.533 37.882 1.651 17578 9058 1 16 . 1 1 111 111 PHE H H 146 8.553 8.553 8.055 0.498 17578 9059 1 16 . 1 1 112 112 ASN N N 147 117.856 117.856 117.034 0.822 17578 9060 1 16 . 1 1 112 112 ASN HA H 147 4.269 4.269 4.383 -0.114 17578 9061 1 16 . 1 1 112 112 ASN CA C 147 55.881 55.881 56.339 -0.458 17578 9062 1 16 . 1 1 112 112 ASN CB C 147 37.663 37.663 37.870 -0.207 17578 9063 1 16 . 1 1 112 112 ASN H H 147 8.809 8.809 8.652 0.157 17578 9064 1 16 . 1 1 113 113 GLU N N 148 119.708 119.708 120.024 -0.316 17578 9065 1 16 . 1 1 113 113 GLU HA H 148 4.021 4.021 4.046 -0.025 17578 9066 1 16 . 1 1 113 113 GLU CA C 148 59.385 59.385 59.366 0.019 17578 9067 1 16 . 1 1 113 113 GLU CB C 148 29.784 29.784 29.582 0.202 17578 9068 1 16 . 1 1 113 113 GLU H H 148 7.778 7.778 7.868 -0.090 17578 9069 1 16 . 1 1 114 114 VAL N N 149 119.680 119.680 119.896 -0.216 17578 9070 1 16 . 1 1 114 114 VAL HA H 149 3.556 3.556 3.639 -0.083 17578 9071 1 16 . 1 1 114 114 VAL CA C 149 66.625 66.625 67.421 -0.796 17578 9072 1 16 . 1 1 114 114 VAL CB C 149 31.368 31.368 31.888 -0.520 17578 9073 1 16 . 1 1 114 114 VAL H H 149 8.023 8.023 8.196 -0.173 17578 9074 1 16 . 1 1 115 115 VAL N N 150 119.684 119.684 116.655 3.029 17578 9075 1 16 . 1 1 115 115 VAL HA H 150 3.163 3.163 3.721 -0.558 17578 9076 1 16 . 1 1 115 115 VAL C C 150 177.270 177.270 177.922 -0.652 17578 9077 1 16 . 1 1 115 115 VAL CA C 150 67.984 67.984 65.949 2.035 17578 9078 1 16 . 1 1 115 115 VAL CB C 150 30.848 30.848 31.083 -0.235 17578 9079 1 16 . 1 1 115 115 VAL H H 150 8.480 8.480 8.575 -0.095 17578 9080 1 16 . 1 1 116 116 LYS N N 151 118.648 118.648 120.291 -1.643 17578 9081 1 16 . 1 1 116 116 LYS HA H 151 4.027 4.027 4.003 0.024 17578 9082 1 16 . 1 1 116 116 LYS CA C 151 59.691 59.691 58.997 0.694 17578 9083 1 16 . 1 1 116 116 LYS CB C 151 32.346 32.346 31.644 0.702 17578 9084 1 16 . 1 1 116 116 LYS H H 151 7.584 7.584 8.035 -0.451 17578 9085 1 16 . 1 1 117 117 GLU N N 152 120.177 120.177 119.709 0.468 17578 9086 1 16 . 1 1 117 117 GLU HA H 152 4.046 4.046 4.037 0.009 17578 9087 1 16 . 1 1 117 117 GLU CA C 152 59.932 59.932 59.593 0.339 17578 9088 1 16 . 1 1 117 117 GLU CB C 152 29.663 29.663 29.626 0.037 17578 9089 1 16 . 1 1 117 117 GLU H H 152 7.528 7.528 7.789 -0.261 17578 9090 1 16 . 1 1 118 118 VAL N N 153 120.413 120.413 120.347 0.066 17578 9091 1 16 . 1 1 118 118 VAL HA H 153 3.421 3.421 3.765 -0.344 17578 9092 1 16 . 1 1 118 118 VAL CA C 153 67.196 67.196 66.091 1.105 17578 9093 1 16 . 1 1 118 118 VAL CB C 153 31.600 31.600 31.855 -0.255 17578 9094 1 16 . 1 1 118 118 VAL H H 153 8.665 8.665 7.873 0.792 17578 9095 1 16 . 1 1 119 119 GLN N N 154 118.232 118.232 118.279 -0.047 17578 9096 1 16 . 1 1 119 119 GLN HA H 154 3.982 3.982 3.912 0.070 17578 9097 1 16 . 1 1 119 119 GLN CA C 154 59.651 59.651 58.567 1.084 17578 9098 1 16 . 1 1 119 119 GLN CB C 154 28.478 28.478 28.821 -0.343 17578 9099 1 16 . 1 1 119 119 GLN H H 154 8.950 8.950 7.908 1.042 17578 9100 1 16 . 1 1 120 120 ALA N N 155 120.568 120.568 120.738 -0.170 17578 9101 1 16 . 1 1 120 120 ALA HA H 155 4.223 4.223 4.270 -0.047 17578 9102 1 16 . 1 1 120 120 ALA CA C 155 55.071 55.071 53.280 1.791 17578 9103 1 16 . 1 1 120 120 ALA CB C 155 17.952 17.952 19.604 -1.651 17578 9104 1 16 . 1 1 120 120 ALA H H 155 7.486 7.486 7.788 -0.302 17578 9105 1 17 . 1 1 2 2 LYS N N 37 124.035 124.035 122.268 1.767 17578 9106 1 17 . 1 1 2 2 LYS HA H 37 4.064 4.064 4.320 -0.256 17578 9107 1 17 . 1 1 2 2 LYS H H 37 7.786 7.786 8.463 -0.677 17578 9108 1 17 . 1 1 3 3 LYS HA H 38 4.026 4.026 4.268 -0.242 17578 9109 1 17 . 1 1 3 3 LYS C C 38 179.176 179.176 178.375 0.801 17578 9110 1 17 . 1 1 3 3 LYS CA C 38 59.781 59.781 58.620 1.161 17578 9111 1 17 . 1 1 3 3 LYS CB C 38 32.626 32.626 31.590 1.036 17578 9112 1 17 . 1 1 4 4 LEU N N 39 122.003 122.003 121.290 0.713 17578 9113 1 17 . 1 1 4 4 LEU HA H 39 4.159 4.159 3.906 0.253 17578 9114 1 17 . 1 1 4 4 LEU C C 39 178.232 178.232 178.307 -0.075 17578 9115 1 17 . 1 1 4 4 LEU CA C 39 57.470 57.470 58.844 -1.374 17578 9116 1 17 . 1 1 4 4 LEU CB C 39 40.343 40.343 41.369 -1.026 17578 9117 1 17 . 1 1 4 4 LEU H H 39 7.877 7.877 8.229 -0.352 17578 9118 1 17 . 1 1 5 5 ASN N N 40 118.692 118.692 116.610 2.082 17578 9119 1 17 . 1 1 5 5 ASN HA H 40 3.997 3.997 4.301 -0.304 17578 9120 1 17 . 1 1 5 5 ASN C C 40 176.054 176.054 177.427 -1.373 17578 9121 1 17 . 1 1 5 5 ASN CA C 40 57.622 57.622 56.217 1.405 17578 9122 1 17 . 1 1 5 5 ASN CB C 40 40.113 40.113 37.773 2.340 17578 9123 1 17 . 1 1 5 5 ASN H H 40 9.313 9.313 8.021 1.292 17578 9124 1 17 . 1 1 6 6 LYS N N 41 115.497 115.497 121.760 -6.263 17578 9125 1 17 . 1 1 6 6 LYS HA H 41 3.928 3.928 3.965 -0.037 17578 9126 1 17 . 1 1 6 6 LYS C C 41 179.133 179.133 179.107 0.026 17578 9127 1 17 . 1 1 6 6 LYS CA C 41 59.909 59.909 59.592 0.317 17578 9128 1 17 . 1 1 6 6 LYS CB C 41 32.256 32.256 32.208 0.048 17578 9129 1 17 . 1 1 6 6 LYS H H 41 7.230 7.230 7.491 -0.261 17578 9130 1 17 . 1 1 7 7 LYS N N 42 118.961 118.961 119.190 -0.229 17578 9131 1 17 . 1 1 7 7 LYS HA H 42 4.040 4.040 3.981 0.059 17578 9132 1 17 . 1 1 7 7 LYS C C 42 180.272 180.272 179.128 1.144 17578 9133 1 17 . 1 1 7 7 LYS CA C 42 59.988 59.988 59.318 0.670 17578 9134 1 17 . 1 1 7 7 LYS CB C 42 33.462 33.462 32.208 1.254 17578 9135 1 17 . 1 1 7 7 LYS H H 42 7.367 7.367 8.358 -0.991 17578 9136 1 17 . 1 1 8 8 VAL N N 43 122.400 122.400 119.624 2.776 17578 9137 1 17 . 1 1 8 8 VAL HA H 43 3.303 3.303 3.879 -0.576 17578 9138 1 17 . 1 1 8 8 VAL CA C 43 67.430 67.430 66.408 1.022 17578 9139 1 17 . 1 1 8 8 VAL CB C 43 31.374 31.374 31.035 0.339 17578 9140 1 17 . 1 1 8 8 VAL H H 43 9.215 9.215 8.178 1.037 17578 9141 1 17 . 1 1 9 9 LEU N N 44 119.626 119.626 121.371 -1.745 17578 9142 1 17 . 1 1 9 9 LEU HA H 44 3.833 3.833 3.935 -0.102 17578 9143 1 17 . 1 1 9 9 LEU CA C 44 58.453 58.453 58.247 0.206 17578 9144 1 17 . 1 1 9 9 LEU CB C 44 41.171 41.171 41.810 -0.639 17578 9145 1 17 . 1 1 9 9 LEU H H 44 8.471 8.471 8.305 0.166 17578 9146 1 17 . 1 1 10 10 LYS N N 45 119.761 119.761 118.408 1.353 17578 9147 1 17 . 1 1 10 10 LYS HA H 45 4.026 4.026 4.014 0.012 17578 9148 1 17 . 1 1 10 10 LYS CA C 45 59.919 59.919 58.973 0.946 17578 9149 1 17 . 1 1 10 10 LYS CB C 45 32.430 32.430 31.577 0.853 17578 9150 1 17 . 1 1 10 10 LYS H H 45 7.883 7.883 8.226 -0.343 17578 9151 1 17 . 1 1 11 11 THR N N 46 116.469 116.469 117.176 -0.707 17578 9152 1 17 . 1 1 11 11 THR HA H 46 4.339 4.339 3.905 0.434 17578 9153 1 17 . 1 1 11 11 THR C C 46 175.987 175.987 176.758 -0.771 17578 9154 1 17 . 1 1 11 11 THR CB C 46 68.013 68.013 68.280 -0.267 17578 9155 1 17 . 1 1 11 11 THR H H 46 7.805 7.805 8.082 -0.277 17578 9156 1 17 . 1 1 12 12 VAL N N 47 121.907 121.907 122.034 -0.127 17578 9157 1 17 . 1 1 12 12 VAL HA H 47 3.232 3.232 3.898 -0.666 17578 9158 1 17 . 1 1 12 12 VAL CA C 47 67.331 67.331 65.967 1.364 17578 9159 1 17 . 1 1 12 12 VAL CB C 47 31.438 31.438 31.742 -0.304 17578 9160 1 17 . 1 1 12 12 VAL H H 47 8.782 8.782 8.332 0.450 17578 9161 1 17 . 1 1 13 13 LYS N N 48 122.393 122.393 119.031 3.362 17578 9162 1 17 . 1 1 13 13 LYS HA H 48 4.258 4.258 4.032 0.226 17578 9163 1 17 . 1 1 13 13 LYS C C 48 179.808 179.808 178.580 1.228 17578 9164 1 17 . 1 1 13 13 LYS CA C 48 59.999 59.999 59.460 0.539 17578 9165 1 17 . 1 1 13 13 LYS CB C 48 32.553 32.553 32.258 0.296 17578 9166 1 17 . 1 1 13 13 LYS H H 48 8.171 8.171 8.114 0.057 17578 9167 1 17 . 1 1 14 14 LYS N N 49 118.852 118.852 117.871 0.981 17578 9168 1 17 . 1 1 14 14 LYS HA H 49 3.973 3.973 4.134 -0.161 17578 9169 1 17 . 1 1 14 14 LYS CA C 49 59.811 59.811 58.923 0.888 17578 9170 1 17 . 1 1 14 14 LYS CB C 49 33.389 33.389 32.628 0.761 17578 9171 1 17 . 1 1 14 14 LYS H H 49 7.941 7.941 7.828 0.113 17578 9172 1 17 . 1 1 15 15 ALA N N 50 122.047 122.047 122.279 -0.232 17578 9173 1 17 . 1 1 15 15 ALA HA H 50 3.496 3.496 4.114 -0.618 17578 9174 1 17 . 1 1 15 15 ALA CA C 50 54.709 54.709 54.021 0.688 17578 9175 1 17 . 1 1 15 15 ALA CB C 50 18.917 18.917 18.170 0.747 17578 9176 1 17 . 1 1 15 15 ALA H H 50 8.544 8.544 8.162 0.382 17578 9177 1 17 . 1 1 16 16 SER N N 51 116.561 116.561 113.863 2.698 17578 9178 1 17 . 1 1 16 16 SER HA H 51 4.730 4.730 4.095 0.635 17578 9179 1 17 . 1 1 16 16 SER C C 51 178.560 178.560 176.079 2.481 17578 9180 1 17 . 1 1 16 16 SER CA C 51 61.680 61.680 61.216 0.464 17578 9181 1 17 . 1 1 16 16 SER CB C 51 62.551 62.551 62.931 -0.380 17578 9182 1 17 . 1 1 16 16 SER H H 51 8.551 8.551 8.181 0.370 17578 9183 1 17 . 1 1 17 17 LYS N N 52 124.890 124.890 120.058 4.832 17578 9184 1 17 . 1 1 17 17 LYS HA H 52 4.072 4.072 4.165 -0.093 17578 9185 1 17 . 1 1 17 17 LYS C C 52 177.377 177.377 177.321 0.056 17578 9186 1 17 . 1 1 17 17 LYS CA C 52 58.931 58.931 58.022 0.909 17578 9187 1 17 . 1 1 17 17 LYS CB C 52 31.961 31.961 32.798 -0.838 17578 9188 1 17 . 1 1 17 17 LYS H H 52 7.578 7.578 7.508 0.070 17578 9189 1 17 . 1 1 18 18 ALA N N 53 118.628 118.628 119.649 -1.021 17578 9190 1 17 . 1 1 18 18 ALA HA H 53 4.285 4.285 4.304 -0.019 17578 9191 1 17 . 1 1 18 18 ALA C C 53 175.061 175.061 176.914 -1.853 17578 9192 1 17 . 1 1 18 18 ALA CA C 53 51.822 51.822 51.879 -0.057 17578 9193 1 17 . 1 1 18 18 ALA CB C 53 19.390 19.390 19.596 -0.206 17578 9194 1 17 . 1 1 18 18 ALA H H 53 7.112 7.112 7.672 -0.560 17578 9195 1 17 . 1 1 19 19 LYS N N 54 111.984 111.984 115.897 -3.913 17578 9196 1 17 . 1 1 19 19 LYS HA H 54 4.026 4.026 3.954 0.072 17578 9197 1 17 . 1 1 19 19 LYS CA C 54 57.222 57.222 56.954 0.268 17578 9198 1 17 . 1 1 19 19 LYS CB C 54 28.387 28.387 30.308 -1.921 17578 9199 1 17 . 1 1 19 19 LYS H H 54 7.653 7.653 7.702 -0.049 17578 9200 1 17 . 1 1 20 20 ASN N N 55 116.088 116.088 114.204 1.884 17578 9201 1 17 . 1 1 20 20 ASN HA H 55 5.102 5.102 4.804 0.298 17578 9202 1 17 . 1 1 20 20 ASN C C 55 172.975 172.975 174.853 -1.878 17578 9203 1 17 . 1 1 20 20 ASN CA C 55 51.215 51.215 53.764 -2.549 17578 9204 1 17 . 1 1 20 20 ASN CB C 55 40.316 40.316 39.940 0.376 17578 9205 1 17 . 1 1 20 20 ASN H H 55 8.118 8.118 7.751 0.367 17578 9206 1 17 . 1 1 21 21 VAL N N 56 114.959 114.959 119.296 -4.337 17578 9207 1 17 . 1 1 21 21 VAL HA H 56 4.938 4.938 4.025 0.913 17578 9208 1 17 . 1 1 21 21 VAL C C 56 175.409 175.409 175.097 0.312 17578 9209 1 17 . 1 1 21 21 VAL CA C 56 60.901 60.901 60.657 0.244 17578 9210 1 17 . 1 1 21 21 VAL CB C 56 35.368 35.368 33.124 2.244 17578 9211 1 17 . 1 1 21 21 VAL H H 56 7.628 7.628 7.580 0.048 17578 9212 1 17 . 1 1 22 22 LYS N N 57 126.485 126.485 127.519 -1.034 17578 9213 1 17 . 1 1 22 22 LYS HA H 57 4.712 4.712 4.638 0.074 17578 9214 1 17 . 1 1 22 22 LYS C C 57 175.394 175.394 174.512 0.882 17578 9215 1 17 . 1 1 22 22 LYS CA C 57 54.485 54.485 54.455 0.030 17578 9216 1 17 . 1 1 22 22 LYS CB C 57 33.669 33.669 36.375 -2.706 17578 9217 1 17 . 1 1 22 22 LYS H H 57 8.987 8.987 8.465 0.522 17578 9218 1 17 . 1 1 23 23 ARG N N 58 122.011 122.011 120.764 1.247 17578 9219 1 17 . 1 1 23 23 ARG HA H 58 4.837 4.837 4.989 -0.152 17578 9220 1 17 . 1 1 23 23 ARG C C 58 175.930 175.930 176.012 -0.082 17578 9221 1 17 . 1 1 23 23 ARG CA C 58 55.872 55.872 54.782 1.090 17578 9222 1 17 . 1 1 23 23 ARG CB C 58 33.513 33.513 33.262 0.251 17578 9223 1 17 . 1 1 23 23 ARG H H 58 9.024 9.024 8.626 0.398 17578 9224 1 17 . 1 1 24 24 GLY N N 59 111.007 111.007 111.212 -0.205 17578 9225 1 17 . 1 1 24 24 GLY CA C 59 44.790 44.790 44.458 0.332 17578 9226 1 17 . 1 1 24 24 GLY H H 59 8.315 8.315 8.929 -0.614 17578 9227 1 17 . 1 1 25 25 VAL N N 60 119.423 119.423 120.534 -1.111 17578 9228 1 17 . 1 1 25 25 VAL HA H 60 3.156 3.156 3.530 -0.374 17578 9229 1 17 . 1 1 25 25 VAL C C 60 176.562 176.562 177.052 -0.490 17578 9230 1 17 . 1 1 25 25 VAL CA C 60 68.037 68.037 65.450 2.587 17578 9231 1 17 . 1 1 25 25 VAL CB C 60 32.050 32.050 31.775 0.275 17578 9232 1 17 . 1 1 25 25 VAL H H 60 8.152 8.152 8.471 -0.319 17578 9233 1 17 . 1 1 26 26 LYS N N 61 117.316 117.316 119.087 -1.771 17578 9234 1 17 . 1 1 26 26 LYS HA H 61 3.919 3.919 3.998 -0.079 17578 9235 1 17 . 1 1 26 26 LYS C C 61 180.130 180.130 178.593 1.537 17578 9236 1 17 . 1 1 26 26 LYS CA C 61 60.157 60.157 59.749 0.408 17578 9237 1 17 . 1 1 26 26 LYS CB C 61 32.041 32.041 32.004 0.037 17578 9238 1 17 . 1 1 26 26 LYS H H 61 8.156 8.156 8.467 -0.311 17578 9239 1 17 . 1 1 27 27 GLU N N 62 117.535 117.535 119.453 -1.918 17578 9240 1 17 . 1 1 27 27 GLU HA H 62 3.961 3.961 4.170 -0.209 17578 9241 1 17 . 1 1 27 27 GLU CA C 62 58.787 58.787 59.023 -0.236 17578 9242 1 17 . 1 1 27 27 GLU CB C 62 29.843 29.843 29.346 0.497 17578 9243 1 17 . 1 1 27 27 GLU H H 62 8.531 8.531 7.655 0.876 17578 9244 1 17 . 1 1 28 28 VAL N N 63 120.589 120.589 117.124 3.465 17578 9245 1 17 . 1 1 28 28 VAL HA H 63 3.498 3.498 2.414 1.084 17578 9246 1 17 . 1 1 28 28 VAL CA C 63 68.099 68.099 65.853 2.246 17578 9247 1 17 . 1 1 28 28 VAL CB C 63 31.376 31.376 30.548 0.828 17578 9248 1 17 . 1 1 28 28 VAL H H 63 8.255 8.255 8.029 0.226 17578 9249 1 17 . 1 1 29 29 VAL N N 64 118.570 118.570 120.850 -2.280 17578 9250 1 17 . 1 1 29 29 VAL HA H 64 3.359 3.359 3.429 -0.070 17578 9251 1 17 . 1 1 29 29 VAL C C 64 177.549 177.549 177.991 -0.442 17578 9252 1 17 . 1 1 29 29 VAL CA C 64 67.456 67.456 66.393 1.063 17578 9253 1 17 . 1 1 29 29 VAL CB C 64 31.233 31.233 31.205 0.028 17578 9254 1 17 . 1 1 29 29 VAL H H 64 8.535 8.535 7.796 0.739 17578 9255 1 17 . 1 1 30 30 LYS N N 65 117.926 117.926 119.831 -1.905 17578 9256 1 17 . 1 1 30 30 LYS HA H 65 3.875 3.875 3.893 -0.018 17578 9257 1 17 . 1 1 30 30 LYS CA C 65 59.811 59.811 59.641 0.170 17578 9258 1 17 . 1 1 30 30 LYS CB C 65 32.715 32.715 32.151 0.564 17578 9259 1 17 . 1 1 30 30 LYS H H 65 7.538 7.538 7.831 -0.293 17578 9260 1 17 . 1 1 31 31 ALA N N 66 120.475 120.475 121.289 -0.814 17578 9261 1 17 . 1 1 31 31 ALA HA H 66 4.071 4.071 4.073 -0.002 17578 9262 1 17 . 1 1 31 31 ALA C C 66 179.596 179.596 179.123 0.473 17578 9263 1 17 . 1 1 31 31 ALA CA C 66 55.051 55.051 54.873 0.178 17578 9264 1 17 . 1 1 31 31 ALA CB C 66 18.901 18.901 18.547 0.354 17578 9265 1 17 . 1 1 31 31 ALA H H 66 7.496 7.496 8.002 -0.506 17578 9266 1 17 . 1 1 32 32 LEU N N 67 119.357 119.357 120.245 -0.888 17578 9267 1 17 . 1 1 32 32 LEU HA H 67 3.854 3.854 3.715 0.139 17578 9268 1 17 . 1 1 32 32 LEU CA C 67 57.859 57.859 57.396 0.463 17578 9269 1 17 . 1 1 32 32 LEU CB C 67 42.442 42.442 41.848 0.594 17578 9270 1 17 . 1 1 32 32 LEU H H 67 8.376 8.376 7.690 0.686 17578 9271 1 17 . 1 1 33 33 ARG N N 68 116.045 116.045 117.791 -1.746 17578 9272 1 17 . 1 1 33 33 ARG HA H 68 3.802 3.802 3.979 -0.177 17578 9273 1 17 . 1 1 33 33 ARG CA C 68 59.306 59.306 57.729 1.577 17578 9274 1 17 . 1 1 33 33 ARG CB C 68 29.759 29.759 30.256 -0.497 17578 9275 1 17 . 1 1 33 33 ARG H H 68 8.091 8.091 7.851 0.240 17578 9276 1 17 . 1 1 34 34 LYS N N 69 117.845 117.845 117.063 0.782 17578 9277 1 17 . 1 1 34 34 LYS HA H 69 4.255 4.255 4.182 0.073 17578 9278 1 17 . 1 1 34 34 LYS C C 69 176.831 176.831 177.762 -0.931 17578 9279 1 17 . 1 1 34 34 LYS CA C 69 56.548 56.548 57.362 -0.814 17578 9280 1 17 . 1 1 34 34 LYS CB C 69 32.710 32.710 33.169 -0.459 17578 9281 1 17 . 1 1 34 34 LYS H H 69 7.616 7.616 7.800 -0.184 17578 9282 1 17 . 1 1 35 35 GLY N N 70 106.783 106.783 106.455 0.328 17578 9283 1 17 . 1 1 35 35 GLY CA C 70 45.537 45.537 45.417 0.120 17578 9284 1 17 . 1 1 35 35 GLY H H 70 7.739 7.739 8.403 -0.664 17578 9285 1 17 . 1 1 36 36 GLU N N 71 119.424 119.424 119.803 -0.379 17578 9286 1 17 . 1 1 36 36 GLU HA H 71 4.226 4.226 4.131 0.095 17578 9287 1 17 . 1 1 36 36 GLU C C 71 175.400 175.400 176.252 -0.852 17578 9288 1 17 . 1 1 36 36 GLU CA C 71 57.414 57.414 56.730 0.684 17578 9289 1 17 . 1 1 36 36 GLU CB C 71 29.442 29.442 28.896 0.546 17578 9290 1 17 . 1 1 36 36 GLU H H 71 7.698 7.698 8.472 -0.774 17578 9291 1 17 . 1 1 37 37 LYS N N 72 118.290 118.290 120.514 -2.224 17578 9292 1 17 . 1 1 37 37 LYS HA H 72 4.903 4.903 4.279 0.624 17578 9293 1 17 . 1 1 37 37 LYS C C 72 175.809 175.809 176.532 -0.723 17578 9294 1 17 . 1 1 37 37 LYS CA C 72 53.791 53.791 57.116 -3.325 17578 9295 1 17 . 1 1 37 37 LYS CB C 72 34.781 34.781 32.157 2.624 17578 9296 1 17 . 1 1 37 37 LYS H H 72 8.223 8.223 7.450 0.773 17578 9297 1 17 . 1 1 38 38 GLY N N 73 104.682 104.682 110.413 -5.731 17578 9298 1 17 . 1 1 38 38 GLY C C 73 171.884 171.884 173.616 -1.732 17578 9299 1 17 . 1 1 38 38 GLY CA C 73 46.360 46.360 44.848 1.512 17578 9300 1 17 . 1 1 38 38 GLY H H 73 7.217 7.217 8.174 -0.957 17578 9301 1 17 . 1 1 39 39 LEU N N 74 125.372 125.372 121.980 3.392 17578 9302 1 17 . 1 1 39 39 LEU HA H 74 4.994 4.994 4.745 0.249 17578 9303 1 17 . 1 1 39 39 LEU C C 74 174.380 174.380 176.041 -1.661 17578 9304 1 17 . 1 1 39 39 LEU CA C 74 54.363 54.363 53.160 1.203 17578 9305 1 17 . 1 1 39 39 LEU CB C 74 47.028 47.028 42.946 4.082 17578 9306 1 17 . 1 1 39 39 LEU H H 74 8.945 8.945 7.939 1.006 17578 9307 1 17 . 1 1 40 40 VAL N N 75 130.967 130.967 125.711 5.256 17578 9308 1 17 . 1 1 40 40 VAL HA H 75 4.644 4.644 4.185 0.459 17578 9309 1 17 . 1 1 40 40 VAL C C 75 173.667 173.667 174.780 -1.113 17578 9310 1 17 . 1 1 40 40 VAL CA C 75 62.273 62.273 62.646 -0.373 17578 9311 1 17 . 1 1 40 40 VAL CB C 75 32.591 32.591 32.383 0.208 17578 9312 1 17 . 1 1 40 40 VAL H H 75 8.551 8.551 8.582 -0.031 17578 9313 1 17 . 1 1 41 41 VAL N N 76 127.493 127.493 127.599 -0.106 17578 9314 1 17 . 1 1 41 41 VAL HA H 76 4.660 4.660 4.409 0.251 17578 9315 1 17 . 1 1 41 41 VAL C C 76 173.669 173.669 174.814 -1.145 17578 9316 1 17 . 1 1 41 41 VAL CA C 76 60.899 60.899 60.568 0.331 17578 9317 1 17 . 1 1 41 41 VAL CB C 76 33.346 33.346 32.532 0.813 17578 9318 1 17 . 1 1 41 41 VAL H H 76 8.804 8.804 9.183 -0.379 17578 9319 1 17 . 1 1 42 42 ILE N N 77 125.646 125.646 127.073 -1.427 17578 9320 1 17 . 1 1 42 42 ILE HA H 77 4.444 4.444 4.458 -0.014 17578 9321 1 17 . 1 1 42 42 ILE C C 77 174.817 174.817 174.519 0.298 17578 9322 1 17 . 1 1 42 42 ILE CA C 77 59.700 59.700 58.741 0.959 17578 9323 1 17 . 1 1 42 42 ILE CB C 77 39.977 39.977 39.345 0.632 17578 9324 1 17 . 1 1 42 42 ILE H H 77 8.613 8.613 8.532 0.081 17578 9325 1 17 . 1 1 43 43 ALA N N 78 128.691 128.691 129.556 -0.865 17578 9326 1 17 . 1 1 43 43 ALA HA H 78 4.459 4.459 5.270 -0.811 17578 9327 1 17 . 1 1 43 43 ALA C C 78 177.584 177.584 178.456 -0.872 17578 9328 1 17 . 1 1 43 43 ALA CA C 78 52.372 52.372 50.332 2.040 17578 9329 1 17 . 1 1 43 43 ALA CB C 78 19.504 19.504 19.623 -0.119 17578 9330 1 17 . 1 1 43 43 ALA H H 78 8.565 8.565 8.143 0.422 17578 9331 1 17 . 1 1 44 44 GLY N N 79 103.957 103.957 109.376 -5.419 17578 9332 1 17 . 1 1 44 44 GLY C C 79 173.252 173.252 174.124 -0.872 17578 9333 1 17 . 1 1 44 44 GLY CA C 79 45.764 45.764 46.105 -0.341 17578 9334 1 17 . 1 1 44 44 GLY H H 79 9.083 9.083 8.746 0.337 17578 9335 1 17 . 1 1 45 45 ASP N N 80 118.632 118.632 120.677 -2.045 17578 9336 1 17 . 1 1 45 45 ASP HA H 80 4.918 4.918 4.898 0.020 17578 9337 1 17 . 1 1 45 45 ASP CA C 80 52.689 52.689 53.208 -0.519 17578 9338 1 17 . 1 1 45 45 ASP CB C 80 39.118 39.118 40.937 -1.819 17578 9339 1 17 . 1 1 45 45 ASP H H 80 8.695 8.695 8.105 0.590 17578 9340 1 17 . 1 1 46 46 ILE N N 81 117.935 117.935 118.522 -0.587 17578 9341 1 17 . 1 1 46 46 ILE HA H 81 4.179 4.179 4.211 -0.032 17578 9342 1 17 . 1 1 46 46 ILE C C 81 172.890 172.890 174.076 -1.186 17578 9343 1 17 . 1 1 46 46 ILE CA C 81 59.242 59.242 59.921 -0.679 17578 9344 1 17 . 1 1 46 46 ILE CB C 81 39.253 39.253 41.766 -2.513 17578 9345 1 17 . 1 1 46 46 ILE H H 81 6.730 6.730 7.491 -0.761 17578 9346 1 17 . 1 1 47 47 TRP N N 82 123.585 123.585 124.468 -0.883 17578 9347 1 17 . 1 1 47 47 TRP HA H 82 4.587 4.587 5.253 -0.666 17578 9348 1 17 . 1 1 47 47 TRP CA C 82 55.386 55.386 54.477 0.909 17578 9349 1 17 . 1 1 47 47 TRP CB C 82 32.147 32.147 28.952 3.195 17578 9350 1 17 . 1 1 47 47 TRP H H 82 7.804 7.804 7.351 0.453 17578 9351 1 17 . 1 1 48 48 PRO HA H 83 4.248 4.248 4.717 -0.469 17578 9352 1 17 . 1 1 48 48 PRO CA C 83 62.712 62.712 62.400 0.312 17578 9353 1 17 . 1 1 48 48 PRO CB C 83 34.011 34.011 32.692 1.319 17578 9354 1 17 . 1 1 49 49 ALA N N 84 121.827 121.827 120.088 1.739 17578 9355 1 17 . 1 1 49 49 ALA HA H 84 3.969 3.969 4.264 -0.295 17578 9356 1 17 . 1 1 49 49 ALA CA C 84 54.183 54.183 53.066 1.117 17578 9357 1 17 . 1 1 49 49 ALA CB C 84 19.404 19.404 18.671 0.733 17578 9358 1 17 . 1 1 49 49 ALA H H 84 8.198 8.198 8.523 -0.325 17578 9359 1 17 . 1 1 50 50 ASP N N 85 114.049 114.049 119.444 -5.395 17578 9360 1 17 . 1 1 50 50 ASP HA H 85 4.301 4.301 4.166 0.135 17578 9361 1 17 . 1 1 50 50 ASP C C 85 177.428 177.428 177.934 -0.506 17578 9362 1 17 . 1 1 50 50 ASP CA C 85 55.777 55.777 57.076 -1.299 17578 9363 1 17 . 1 1 50 50 ASP CB C 85 40.060 40.060 39.866 0.194 17578 9364 1 17 . 1 1 50 50 ASP H H 85 8.008 8.008 8.745 -0.737 17578 9365 1 17 . 1 1 51 51 VAL N N 86 116.790 116.790 116.573 0.217 17578 9366 1 17 . 1 1 51 51 VAL HA H 86 3.841 3.841 3.787 0.054 17578 9367 1 17 . 1 1 51 51 VAL C C 86 176.231 176.231 177.691 -1.460 17578 9368 1 17 . 1 1 51 51 VAL CA C 86 65.332 65.332 65.216 0.116 17578 9369 1 17 . 1 1 51 51 VAL CB C 86 32.123 32.123 31.593 0.530 17578 9370 1 17 . 1 1 51 51 VAL H H 86 7.542 7.542 7.220 0.322 17578 9371 1 17 . 1 1 52 52 ILE N N 87 107.529 107.529 117.951 -10.422 17578 9372 1 17 . 1 1 52 52 ILE HA H 87 4.638 4.638 3.709 0.929 17578 9373 1 17 . 1 1 52 52 ILE C C 87 178.026 178.026 177.261 0.765 17578 9374 1 17 . 1 1 52 52 ILE CA C 87 59.806 59.806 63.307 -3.501 17578 9375 1 17 . 1 1 52 52 ILE CB C 87 40.742 40.742 36.235 4.507 17578 9376 1 17 . 1 1 52 52 ILE H H 87 7.310 7.310 8.044 -0.734 17578 9377 1 17 . 1 1 53 53 SER N N 88 116.004 116.004 112.779 3.225 17578 9378 1 17 . 1 1 53 53 SER HA H 88 4.566 4.566 4.336 0.230 17578 9379 1 17 . 1 1 53 53 SER CA C 88 61.760 61.760 59.134 2.626 17578 9380 1 17 . 1 1 53 53 SER CB C 88 62.391 62.391 63.593 -1.202 17578 9381 1 17 . 1 1 53 53 SER H H 88 7.827 7.827 7.784 0.043 17578 9382 1 17 . 1 1 54 54 HIS HA H 89 4.572 4.572 4.358 0.214 17578 9383 1 17 . 1 1 54 54 HIS CA C 89 56.789 56.789 58.534 -1.745 17578 9384 1 17 . 1 1 54 54 HIS CB C 89 30.527 30.527 29.796 0.732 17578 9385 1 17 . 1 1 55 55 ILE N N 90 120.579 120.579 120.487 0.092 17578 9386 1 17 . 1 1 55 55 ILE HA H 90 3.512 3.512 3.740 -0.228 17578 9387 1 17 . 1 1 55 55 ILE CA C 90 65.424 65.424 66.348 -0.924 17578 9388 1 17 . 1 1 55 55 ILE CB C 90 34.176 34.176 35.039 -0.863 17578 9389 1 17 . 1 1 55 55 ILE H H 90 7.764 7.764 7.979 -0.215 17578 9390 1 17 . 1 1 56 56 PRO HA H 91 2.942 2.942 4.435 -1.493 17578 9391 1 17 . 1 1 56 56 PRO C C 91 177.032 177.032 179.019 -1.987 17578 9392 1 17 . 1 1 56 56 PRO CA C 91 66.842 66.842 65.796 1.046 17578 9393 1 17 . 1 1 56 56 PRO CB C 91 31.206 31.206 31.486 -0.280 17578 9394 1 17 . 1 1 57 57 VAL N N 92 114.379 114.379 119.279 -4.900 17578 9395 1 17 . 1 1 57 57 VAL HA H 92 3.574 3.574 3.808 -0.234 17578 9396 1 17 . 1 1 57 57 VAL CA C 92 65.900 65.900 66.474 -0.574 17578 9397 1 17 . 1 1 57 57 VAL CB C 92 31.600 31.600 32.082 -0.482 17578 9398 1 17 . 1 1 57 57 VAL H H 92 6.497 6.497 7.733 -1.236 17578 9399 1 17 . 1 1 58 58 LEU N N 93 120.522 120.522 119.896 0.626 17578 9400 1 17 . 1 1 58 58 LEU HA H 93 4.227 4.227 4.195 0.032 17578 9401 1 17 . 1 1 58 58 LEU C C 93 180.251 180.251 178.337 1.914 17578 9402 1 17 . 1 1 58 58 LEU CA C 93 57.838 57.838 58.154 -0.316 17578 9403 1 17 . 1 1 58 58 LEU CB C 93 43.172 43.172 41.376 1.796 17578 9404 1 17 . 1 1 58 58 LEU H H 93 7.460 7.460 7.718 -0.258 17578 9405 1 17 . 1 1 59 59 CYS N N 94 117.195 117.195 118.575 -1.380 17578 9406 1 17 . 1 1 59 59 CYS HA H 94 3.867 3.867 4.378 -0.511 17578 9407 1 17 . 1 1 59 59 CYS C C 94 176.362 176.362 176.551 -0.189 17578 9408 1 17 . 1 1 59 59 CYS CA C 94 65.379 65.379 63.080 2.299 17578 9409 1 17 . 1 1 59 59 CYS CB C 94 26.344 26.344 27.956 -1.612 17578 9410 1 17 . 1 1 59 59 CYS H H 94 8.335 8.335 8.067 0.268 17578 9411 1 17 . 1 1 60 60 GLU N N 95 120.777 120.777 119.492 1.285 17578 9412 1 17 . 1 1 60 60 GLU HA H 95 4.209 4.209 4.186 0.023 17578 9413 1 17 . 1 1 60 60 GLU CA C 95 59.760 59.760 58.584 1.176 17578 9414 1 17 . 1 1 60 60 GLU CB C 95 29.201 29.201 29.373 -0.172 17578 9415 1 17 . 1 1 60 60 GLU H H 95 8.235 8.235 8.261 -0.026 17578 9416 1 17 . 1 1 61 61 ASP N N 96 120.910 120.910 118.025 2.885 17578 9417 1 17 . 1 1 61 61 ASP HA H 96 4.292 4.292 4.652 -0.360 17578 9418 1 17 . 1 1 61 61 ASP C C 96 177.890 177.890 177.322 0.568 17578 9419 1 17 . 1 1 61 61 ASP CA C 96 57.235 57.235 56.039 1.196 17578 9420 1 17 . 1 1 61 61 ASP CB C 96 40.580 40.580 41.421 -0.841 17578 9421 1 17 . 1 1 61 61 ASP H H 96 8.509 8.509 7.788 0.721 17578 9422 1 17 . 1 1 62 62 HIS N N 97 115.923 115.923 116.448 -0.525 17578 9423 1 17 . 1 1 62 62 HIS HA H 97 4.495 4.495 4.813 -0.318 17578 9424 1 17 . 1 1 62 62 HIS C C 97 173.548 173.548 174.500 -0.952 17578 9425 1 17 . 1 1 62 62 HIS CA C 97 57.290 57.290 56.000 1.290 17578 9426 1 17 . 1 1 62 62 HIS CB C 97 29.997 29.997 32.230 -2.233 17578 9427 1 17 . 1 1 62 62 HIS H H 97 7.635 7.635 7.962 -0.327 17578 9428 1 17 . 1 1 63 63 SER N N 98 114.634 114.634 113.389 1.245 17578 9429 1 17 . 1 1 63 63 SER HA H 98 4.489 4.489 4.185 0.304 17578 9430 1 17 . 1 1 63 63 SER C C 98 173.949 173.949 172.199 1.750 17578 9431 1 17 . 1 1 63 63 SER CA C 98 58.842 58.842 59.406 -0.564 17578 9432 1 17 . 1 1 63 63 SER CB C 98 61.396 61.396 62.290 -0.894 17578 9433 1 17 . 1 1 63 63 SER H H 98 7.888 7.888 7.882 0.006 17578 9434 1 17 . 1 1 64 64 VAL N N 99 123.090 123.090 122.977 0.113 17578 9435 1 17 . 1 1 64 64 VAL HA H 99 4.721 4.721 4.436 0.285 17578 9436 1 17 . 1 1 64 64 VAL CA C 99 58.978 58.978 58.667 0.311 17578 9437 1 17 . 1 1 64 64 VAL CB C 99 35.228 35.228 35.319 -0.091 17578 9438 1 17 . 1 1 64 64 VAL H H 99 8.590 8.590 7.921 0.669 17578 9439 1 17 . 1 1 65 65 PRO HA H 100 4.263 4.263 4.083 0.180 17578 9440 1 17 . 1 1 65 65 PRO C C 100 173.191 173.191 175.449 -2.258 17578 9441 1 17 . 1 1 65 65 PRO CA C 100 63.427 63.427 62.559 0.868 17578 9442 1 17 . 1 1 65 65 PRO CB C 100 31.863 31.863 32.069 -0.205 17578 9443 1 17 . 1 1 66 66 TYR N N 101 114.702 114.702 119.237 -4.535 17578 9444 1 17 . 1 1 66 66 TYR HA H 101 5.925 5.925 5.623 0.302 17578 9445 1 17 . 1 1 66 66 TYR CA C 101 53.501 53.501 55.221 -1.720 17578 9446 1 17 . 1 1 66 66 TYR CB C 101 41.793 41.793 41.663 0.130 17578 9447 1 17 . 1 1 66 66 TYR H H 101 6.243 6.243 7.272 -1.029 17578 9448 1 17 . 1 1 67 67 ILE N N 102 111.885 111.885 115.460 -3.575 17578 9449 1 17 . 1 1 67 67 ILE HA H 102 4.502 4.502 4.470 0.032 17578 9450 1 17 . 1 1 67 67 ILE C C 102 172.358 172.358 174.068 -1.710 17578 9451 1 17 . 1 1 67 67 ILE CA C 102 55.442 55.442 60.748 -5.306 17578 9452 1 17 . 1 1 67 67 ILE CB C 102 43.124 43.124 42.791 0.333 17578 9453 1 17 . 1 1 67 67 ILE H H 102 7.986 7.986 8.432 -0.446 17578 9454 1 17 . 1 1 68 68 PHE N N 103 122.274 122.274 126.502 -4.228 17578 9455 1 17 . 1 1 68 68 PHE HA H 103 5.087 5.087 4.918 0.169 17578 9456 1 17 . 1 1 68 68 PHE C C 103 176.173 176.173 174.476 1.697 17578 9457 1 17 . 1 1 68 68 PHE CA C 103 56.103 56.103 56.722 -0.619 17578 9458 1 17 . 1 1 68 68 PHE CB C 103 39.891 39.891 39.924 -0.033 17578 9459 1 17 . 1 1 68 68 PHE H H 103 8.108 8.108 8.473 -0.365 17578 9460 1 17 . 1 1 69 69 ILE N N 104 114.613 114.613 122.091 -7.478 17578 9461 1 17 . 1 1 69 69 ILE HA H 104 4.927 4.927 4.652 0.275 17578 9462 1 17 . 1 1 69 69 ILE CA C 104 57.831 57.831 57.349 0.482 17578 9463 1 17 . 1 1 69 69 ILE CB C 104 38.302 38.302 39.556 -1.254 17578 9464 1 17 . 1 1 69 69 ILE H H 104 8.843 8.843 8.399 0.444 17578 9465 1 17 . 1 1 70 70 PRO HA H 105 4.093 4.093 4.497 -0.404 17578 9466 1 17 . 1 1 70 70 PRO CA C 105 66.439 66.439 62.835 3.604 17578 9467 1 17 . 1 1 70 70 PRO CB C 105 32.879 32.879 32.579 0.300 17578 9468 1 17 . 1 1 71 71 SER N N 106 106.896 106.896 112.416 -5.520 17578 9469 1 17 . 1 1 71 71 SER HA H 106 5.227 5.227 4.470 0.757 17578 9470 1 17 . 1 1 71 71 SER CA C 106 55.373 55.373 59.974 -4.601 17578 9471 1 17 . 1 1 71 71 SER CB C 106 64.696 64.696 63.946 0.750 17578 9472 1 17 . 1 1 71 71 SER H H 106 7.548 7.548 8.138 -0.590 17578 9473 1 17 . 1 1 72 72 LYS N N 107 119.881 119.881 123.146 -3.265 17578 9474 1 17 . 1 1 72 72 LYS HA H 107 4.191 4.191 3.842 0.349 17578 9475 1 17 . 1 1 72 72 LYS CA C 107 58.623 58.623 60.336 -1.712 17578 9476 1 17 . 1 1 72 72 LYS CB C 107 30.957 30.957 32.133 -1.176 17578 9477 1 17 . 1 1 72 72 LYS H H 107 8.328 8.328 8.365 -0.037 17578 9478 1 17 . 1 1 73 73 GLN N N 108 123.720 123.720 117.061 6.659 17578 9479 1 17 . 1 1 73 73 GLN HA H 108 4.013 4.013 4.209 -0.196 17578 9480 1 17 . 1 1 73 73 GLN CA C 108 58.621 58.621 58.941 -0.320 17578 9481 1 17 . 1 1 73 73 GLN CB C 108 28.331 28.331 27.922 0.409 17578 9482 1 17 . 1 1 73 73 GLN H H 108 8.543 8.543 8.334 0.209 17578 9483 1 17 . 1 1 74 74 ASP N N 109 121.068 121.068 119.483 1.585 17578 9484 1 17 . 1 1 74 74 ASP HA H 109 4.353 4.353 4.332 0.021 17578 9485 1 17 . 1 1 74 74 ASP CA C 109 56.941 56.941 57.730 -0.788 17578 9486 1 17 . 1 1 74 74 ASP CB C 109 40.403 40.403 40.395 0.008 17578 9487 1 17 . 1 1 74 74 ASP H H 109 7.998 7.998 8.641 -0.643 17578 9488 1 17 . 1 1 75 75 LEU N N 110 120.670 120.670 120.449 0.221 17578 9489 1 17 . 1 1 75 75 LEU HA H 110 3.967 3.967 4.187 -0.220 17578 9490 1 17 . 1 1 75 75 LEU C C 110 178.753 178.753 179.144 -0.391 17578 9491 1 17 . 1 1 75 75 LEU CA C 110 57.080 57.080 57.066 0.014 17578 9492 1 17 . 1 1 75 75 LEU CB C 110 41.235 41.235 41.739 -0.504 17578 9493 1 17 . 1 1 75 75 LEU H H 110 7.999 7.999 7.403 0.596 17578 9494 1 17 . 1 1 76 76 GLY N N 111 105.512 105.512 107.511 -1.999 17578 9495 1 17 . 1 1 76 76 GLY C C 111 175.517 175.517 175.287 0.230 17578 9496 1 17 . 1 1 76 76 GLY CA C 111 46.745 46.745 47.142 -0.397 17578 9497 1 17 . 1 1 76 76 GLY H H 111 8.012 8.012 8.257 -0.245 17578 9498 1 17 . 1 1 77 77 ALA N N 112 122.891 122.891 123.716 -0.825 17578 9499 1 17 . 1 1 77 77 ALA HA H 112 4.180 4.180 4.289 -0.109 17578 9500 1 17 . 1 1 77 77 ALA CA C 112 53.652 53.652 54.163 -0.512 17578 9501 1 17 . 1 1 77 77 ALA CB C 112 18.482 18.482 18.679 -0.197 17578 9502 1 17 . 1 1 77 77 ALA H H 112 7.785 7.785 8.150 -0.365 17578 9503 1 17 . 1 1 78 78 ALA N N 113 121.205 121.205 119.276 1.929 17578 9504 1 17 . 1 1 78 78 ALA HA H 113 4.213 4.213 4.080 0.133 17578 9505 1 17 . 1 1 78 78 ALA CA C 113 53.503 53.503 54.195 -0.692 17578 9506 1 17 . 1 1 78 78 ALA CB C 113 18.897 18.897 18.703 0.194 17578 9507 1 17 . 1 1 78 78 ALA H H 113 7.787 7.787 7.925 -0.138 17578 9508 1 17 . 1 1 79 79 GLY N N 114 104.082 104.082 104.926 -0.844 17578 9509 1 17 . 1 1 79 79 GLY CA C 114 44.764 44.764 44.985 -0.221 17578 9510 1 17 . 1 1 79 79 GLY H H 114 7.756 7.756 7.953 -0.197 17578 9511 1 17 . 1 1 80 80 ALA HA H 115 4.061 4.061 4.453 -0.392 17578 9512 1 17 . 1 1 80 80 ALA CA C 115 53.192 53.192 51.947 1.245 17578 9513 1 17 . 1 1 80 80 ALA CB C 115 19.493 19.493 20.210 -0.717 17578 9514 1 17 . 1 1 81 81 THR N N 116 116.258 116.258 115.863 0.395 17578 9515 1 17 . 1 1 81 81 THR CA C 116 57.223 57.223 62.732 -5.509 17578 9516 1 17 . 1 1 81 81 THR CB C 116 64.784 64.784 69.044 -4.260 17578 9517 1 17 . 1 1 81 81 THR H H 116 8.121 8.121 8.412 -0.291 17578 9518 1 17 . 1 1 83 83 ARG N N 118 122.269 122.269 118.185 4.084 17578 9519 1 17 . 1 1 83 83 ARG H H 118 8.128 8.128 8.127 0.001 17578 9520 1 17 . 1 1 85 85 THR N N 120 120.171 120.171 118.164 2.007 17578 9521 1 17 . 1 1 85 85 THR C C 120 172.729 172.729 173.656 -0.927 17578 9522 1 17 . 1 1 85 85 THR H H 120 8.127 8.127 8.066 0.061 17578 9523 1 17 . 1 1 86 86 SER N N 121 115.808 115.808 115.020 0.788 17578 9524 1 17 . 1 1 86 86 SER HA H 121 4.280 4.280 4.494 -0.214 17578 9525 1 17 . 1 1 86 86 SER CA C 121 59.573 59.573 58.820 0.753 17578 9526 1 17 . 1 1 86 86 SER CB C 121 64.384 64.384 63.378 1.006 17578 9527 1 17 . 1 1 86 86 SER H H 121 7.045 7.045 8.049 -1.004 17578 9528 1 17 . 1 1 87 87 VAL N N 122 115.790 115.790 119.988 -4.198 17578 9529 1 17 . 1 1 87 87 VAL HA H 122 5.203 5.203 4.598 0.605 17578 9530 1 17 . 1 1 87 87 VAL CA C 122 59.412 59.412 60.731 -1.319 17578 9531 1 17 . 1 1 87 87 VAL CB C 122 32.729 32.729 31.421 1.308 17578 9532 1 17 . 1 1 87 87 VAL H H 122 7.082 7.082 7.773 -0.691 17578 9533 1 17 . 1 1 88 88 VAL N N 123 119.313 119.313 128.113 -8.800 17578 9534 1 17 . 1 1 88 88 VAL HA H 123 5.097 5.097 5.107 -0.010 17578 9535 1 17 . 1 1 88 88 VAL C C 123 172.990 172.990 173.556 -0.566 17578 9536 1 17 . 1 1 88 88 VAL CA C 123 58.925 58.925 59.425 -0.500 17578 9537 1 17 . 1 1 88 88 VAL CB C 123 35.929 35.929 35.758 0.171 17578 9538 1 17 . 1 1 88 88 VAL H H 123 8.948 8.948 8.289 0.659 17578 9539 1 17 . 1 1 89 89 PHE N N 124 122.616 122.616 126.697 -4.081 17578 9540 1 17 . 1 1 89 89 PHE HA H 124 5.641 5.641 5.504 0.137 17578 9541 1 17 . 1 1 89 89 PHE C C 124 174.686 174.686 172.970 1.716 17578 9542 1 17 . 1 1 89 89 PHE CA C 124 52.579 52.579 54.611 -2.032 17578 9543 1 17 . 1 1 89 89 PHE CB C 124 42.392 42.392 42.605 -0.213 17578 9544 1 17 . 1 1 89 89 PHE H H 124 9.065 9.065 9.269 -0.204 17578 9545 1 17 . 1 1 90 90 ILE N N 125 127.599 127.599 121.739 5.860 17578 9546 1 17 . 1 1 90 90 ILE HA H 125 4.268 4.268 3.951 0.317 17578 9547 1 17 . 1 1 90 90 ILE C C 125 173.652 173.652 174.536 -0.884 17578 9548 1 17 . 1 1 90 90 ILE CA C 125 61.605 61.605 60.256 1.349 17578 9549 1 17 . 1 1 90 90 ILE CB C 125 39.533 39.533 38.103 1.430 17578 9550 1 17 . 1 1 90 90 ILE H H 125 9.498 9.498 8.967 0.531 17578 9551 1 17 . 1 1 91 91 VAL N N 126 126.693 126.693 126.400 0.293 17578 9552 1 17 . 1 1 91 91 VAL HA H 126 4.595 4.595 4.616 -0.021 17578 9553 1 17 . 1 1 91 91 VAL CA C 126 58.380 58.380 58.061 0.319 17578 9554 1 17 . 1 1 91 91 VAL CB C 126 32.597 32.597 32.120 0.477 17578 9555 1 17 . 1 1 91 91 VAL H H 126 8.169 8.169 8.392 -0.223 17578 9556 1 17 . 1 1 92 92 PRO HA H 127 4.044 4.044 4.547 -0.503 17578 9557 1 17 . 1 1 92 92 PRO CA C 127 63.380 63.380 62.959 0.421 17578 9558 1 17 . 1 1 92 92 PRO CB C 127 31.735 31.735 30.163 1.573 17578 9559 1 17 . 1 1 93 93 GLY N N 128 108.589 108.589 112.314 -3.725 17578 9560 1 17 . 1 1 93 93 GLY CA C 128 45.443 45.443 46.026 -0.583 17578 9561 1 17 . 1 1 93 93 GLY H H 128 8.022 8.022 8.818 -0.796 17578 9562 1 17 . 1 1 94 94 SER N N 129 113.115 113.115 114.008 -0.893 17578 9563 1 17 . 1 1 94 94 SER H H 129 7.992 7.992 8.018 -0.026 17578 9564 1 17 . 1 1 95 95 ASN N N 130 120.738 120.738 119.721 1.017 17578 9565 1 17 . 1 1 95 95 ASN C C 130 178.419 178.419 177.023 1.396 17578 9566 1 17 . 1 1 95 95 ASN CA C 130 57.337 57.337 56.333 1.004 17578 9567 1 17 . 1 1 95 95 ASN CB C 130 41.958 41.958 38.357 3.601 17578 9568 1 17 . 1 1 95 95 ASN H H 130 8.313 8.313 8.715 -0.402 17578 9569 1 17 . 1 1 96 96 LYS N N 131 119.159 119.159 119.683 -0.524 17578 9570 1 17 . 1 1 96 96 LYS HA H 131 4.021 4.021 4.244 -0.223 17578 9571 1 17 . 1 1 96 96 LYS CA C 131 58.749 58.749 58.287 0.462 17578 9572 1 17 . 1 1 96 96 LYS CB C 131 29.565 29.565 32.450 -2.885 17578 9573 1 17 . 1 1 96 96 LYS H H 131 7.881 7.881 8.371 -0.490 17578 9574 1 17 . 1 1 97 97 LYS N N 132 117.399 117.399 120.336 -2.937 17578 9575 1 17 . 1 1 97 97 LYS CA C 132 58.413 58.413 58.129 0.284 17578 9576 1 17 . 1 1 97 97 LYS CB C 132 30.694 30.694 31.885 -1.191 17578 9577 1 17 . 1 1 97 97 LYS H H 132 7.765 7.765 8.311 -0.546 17578 9578 1 17 . 1 1 98 98 LYS N N 133 119.160 119.160 118.657 0.503 17578 9579 1 17 . 1 1 98 98 LYS CA C 133 58.266 58.266 58.526 -0.260 17578 9580 1 17 . 1 1 98 98 LYS CB C 133 30.981 30.981 32.323 -1.342 17578 9581 1 17 . 1 1 98 98 LYS H H 133 8.070 8.070 7.608 0.462 17578 9582 1 17 . 1 1 99 99 ASP N N 134 120.602 120.602 118.185 2.417 17578 9583 1 17 . 1 1 99 99 ASP CA C 134 55.586 55.586 53.886 1.700 17578 9584 1 17 . 1 1 99 99 ASP CB C 134 41.898 41.898 40.771 1.127 17578 9585 1 17 . 1 1 99 99 ASP H H 134 8.255 8.255 7.724 0.531 17578 9586 1 17 . 1 1 100 100 GLY N N 135 108.785 108.785 107.738 1.047 17578 9587 1 17 . 1 1 100 100 GLY CA C 135 45.536 45.536 44.930 0.606 17578 9588 1 17 . 1 1 100 100 GLY H H 135 8.451 8.451 7.772 0.679 17578 9589 1 17 . 1 1 101 101 LYS N N 136 120.171 120.171 118.178 1.993 17578 9590 1 17 . 1 1 101 101 LYS H H 136 8.127 8.127 8.196 -0.069 17578 9591 1 17 . 1 1 102 102 ASN N N 137 118.588 118.588 119.313 -0.725 17578 9592 1 17 . 1 1 102 102 ASN H H 137 8.481 8.481 8.049 0.432 17578 9593 1 17 . 1 1 103 103 LYS N N 138 121.739 121.739 120.249 1.490 17578 9594 1 17 . 1 1 103 103 LYS HA H 138 4.241 4.241 3.879 0.362 17578 9595 1 17 . 1 1 103 103 LYS CA C 138 56.760 56.760 57.802 -1.042 17578 9596 1 17 . 1 1 103 103 LYS CB C 138 32.691 32.691 30.582 2.109 17578 9597 1 17 . 1 1 103 103 LYS H H 138 8.318 8.318 8.348 -0.030 17578 9598 1 17 . 1 1 104 104 GLU N N 139 120.980 120.980 117.263 3.717 17578 9599 1 17 . 1 1 104 104 GLU CA C 139 57.235 57.235 59.274 -2.039 17578 9600 1 17 . 1 1 104 104 GLU CB C 139 29.893 29.893 29.213 0.680 17578 9601 1 17 . 1 1 104 104 GLU H H 139 8.478 8.478 8.733 -0.255 17578 9602 1 17 . 1 1 107 107 TYR N N 142 119.214 119.214 121.398 -2.184 17578 9603 1 17 . 1 1 107 107 TYR HA H 142 5.023 5.023 3.757 1.266 17578 9604 1 17 . 1 1 107 107 TYR C C 142 175.419 175.419 177.246 -1.827 17578 9605 1 17 . 1 1 107 107 TYR CA C 142 57.200 57.200 61.169 -3.969 17578 9606 1 17 . 1 1 107 107 TYR CB C 142 39.165 39.165 38.319 0.846 17578 9607 1 17 . 1 1 107 107 TYR H H 142 7.992 7.992 8.433 -0.441 17578 9608 1 17 . 1 1 108 108 LYS N N 143 123.500 123.500 118.450 5.050 17578 9609 1 17 . 1 1 108 108 LYS HA H 143 3.628 3.628 3.830 -0.202 17578 9610 1 17 . 1 1 108 108 LYS CA C 143 59.619 59.619 59.564 0.055 17578 9611 1 17 . 1 1 108 108 LYS CB C 143 31.869 31.869 32.336 -0.467 17578 9612 1 17 . 1 1 108 108 LYS H H 143 7.377 7.377 7.917 -0.540 17578 9613 1 17 . 1 1 109 109 GLU N N 144 118.669 118.669 119.122 -0.453 17578 9614 1 17 . 1 1 109 109 GLU HA H 144 4.735 4.735 3.939 0.796 17578 9615 1 17 . 1 1 109 109 GLU CA C 144 59.865 59.865 59.615 0.250 17578 9616 1 17 . 1 1 109 109 GLU CB C 144 29.004 29.004 29.295 -0.291 17578 9617 1 17 . 1 1 109 109 GLU H H 144 8.583 8.583 8.179 0.404 17578 9618 1 17 . 1 1 110 110 SER N N 145 116.081 116.081 114.975 1.106 17578 9619 1 17 . 1 1 110 110 SER HA H 145 4.448 4.448 4.199 0.249 17578 9620 1 17 . 1 1 110 110 SER CB C 145 64.178 64.178 63.073 1.105 17578 9621 1 17 . 1 1 110 110 SER H H 145 8.117 8.117 8.101 0.016 17578 9622 1 17 . 1 1 111 111 PHE N N 146 122.134 122.134 123.119 -0.985 17578 9623 1 17 . 1 1 111 111 PHE HA H 146 4.022 4.022 4.077 -0.055 17578 9624 1 17 . 1 1 111 111 PHE C C 146 175.751 175.751 177.903 -2.152 17578 9625 1 17 . 1 1 111 111 PHE CA C 146 62.159 62.159 59.841 2.318 17578 9626 1 17 . 1 1 111 111 PHE CB C 146 39.533 39.533 37.746 1.787 17578 9627 1 17 . 1 1 111 111 PHE H H 146 8.553 8.553 7.663 0.890 17578 9628 1 17 . 1 1 112 112 ASN N N 147 117.856 117.856 117.102 0.754 17578 9629 1 17 . 1 1 112 112 ASN HA H 147 4.269 4.269 4.385 -0.116 17578 9630 1 17 . 1 1 112 112 ASN CA C 147 55.881 55.881 56.228 -0.347 17578 9631 1 17 . 1 1 112 112 ASN CB C 147 37.663 37.663 38.014 -0.351 17578 9632 1 17 . 1 1 112 112 ASN H H 147 8.809 8.809 8.617 0.192 17578 9633 1 17 . 1 1 113 113 GLU N N 148 119.708 119.708 120.228 -0.520 17578 9634 1 17 . 1 1 113 113 GLU HA H 148 4.021 4.021 4.057 -0.036 17578 9635 1 17 . 1 1 113 113 GLU CA C 148 59.385 59.385 59.255 0.130 17578 9636 1 17 . 1 1 113 113 GLU CB C 148 29.784 29.784 29.319 0.465 17578 9637 1 17 . 1 1 113 113 GLU H H 148 7.778 7.778 7.957 -0.179 17578 9638 1 17 . 1 1 114 114 VAL N N 149 119.680 119.680 119.637 0.043 17578 9639 1 17 . 1 1 114 114 VAL HA H 149 3.556 3.556 3.750 -0.194 17578 9640 1 17 . 1 1 114 114 VAL CA C 149 66.625 66.625 66.002 0.623 17578 9641 1 17 . 1 1 114 114 VAL CB C 149 31.368 31.368 31.112 0.256 17578 9642 1 17 . 1 1 114 114 VAL H H 149 8.023 8.023 8.331 -0.308 17578 9643 1 17 . 1 1 115 115 VAL N N 150 119.684 119.684 115.760 3.924 17578 9644 1 17 . 1 1 115 115 VAL HA H 150 3.163 3.163 3.679 -0.516 17578 9645 1 17 . 1 1 115 115 VAL C C 150 177.270 177.270 178.277 -1.007 17578 9646 1 17 . 1 1 115 115 VAL CA C 150 67.984 67.984 65.999 1.985 17578 9647 1 17 . 1 1 115 115 VAL CB C 150 30.848 30.848 30.966 -0.118 17578 9648 1 17 . 1 1 115 115 VAL H H 150 8.480 8.480 8.391 0.089 17578 9649 1 17 . 1 1 116 116 LYS N N 151 118.648 118.648 120.765 -2.117 17578 9650 1 17 . 1 1 116 116 LYS HA H 151 4.027 4.027 4.062 -0.035 17578 9651 1 17 . 1 1 116 116 LYS CA C 151 59.691 59.691 59.035 0.656 17578 9652 1 17 . 1 1 116 116 LYS CB C 151 32.346 32.346 31.741 0.605 17578 9653 1 17 . 1 1 116 116 LYS H H 151 7.584 7.584 8.205 -0.621 17578 9654 1 17 . 1 1 117 117 GLU N N 152 120.177 120.177 120.071 0.106 17578 9655 1 17 . 1 1 117 117 GLU HA H 152 4.046 4.046 4.099 -0.053 17578 9656 1 17 . 1 1 117 117 GLU CA C 152 59.932 59.932 59.282 0.650 17578 9657 1 17 . 1 1 117 117 GLU CB C 152 29.663 29.663 29.316 0.347 17578 9658 1 17 . 1 1 117 117 GLU H H 152 7.528 7.528 7.908 -0.380 17578 9659 1 17 . 1 1 118 118 VAL N N 153 120.413 120.413 120.623 -0.210 17578 9660 1 17 . 1 1 118 118 VAL HA H 153 3.421 3.421 4.092 -0.671 17578 9661 1 17 . 1 1 118 118 VAL CA C 153 67.196 67.196 65.406 1.790 17578 9662 1 17 . 1 1 118 118 VAL CB C 153 31.600 31.600 31.722 -0.122 17578 9663 1 17 . 1 1 118 118 VAL H H 153 8.665 8.665 7.955 0.710 17578 9664 1 17 . 1 1 119 119 GLN N N 154 118.232 118.232 118.993 -0.761 17578 9665 1 17 . 1 1 119 119 GLN HA H 154 3.982 3.982 4.139 -0.157 17578 9666 1 17 . 1 1 119 119 GLN CA C 154 59.651 59.651 57.657 1.994 17578 9667 1 17 . 1 1 119 119 GLN CB C 154 28.478 28.478 29.253 -0.775 17578 9668 1 17 . 1 1 119 119 GLN H H 154 8.950 8.950 7.900 1.050 17578 9669 1 17 . 1 1 120 120 ALA N N 155 120.568 120.568 122.130 -1.562 17578 9670 1 17 . 1 1 120 120 ALA HA H 155 4.223 4.223 4.214 0.009 17578 9671 1 17 . 1 1 120 120 ALA CA C 155 55.071 55.071 53.847 1.224 17578 9672 1 17 . 1 1 120 120 ALA CB C 155 17.952 17.952 19.813 -1.861 17578 9673 1 17 . 1 1 120 120 ALA H H 155 7.486 7.486 7.982 -0.496 17578 9674 1 18 . 1 1 2 2 LYS N N 37 124.035 124.035 122.786 1.249 17578 9675 1 18 . 1 1 2 2 LYS HA H 37 4.064 4.064 4.284 -0.220 17578 9676 1 18 . 1 1 2 2 LYS H H 37 7.786 7.786 8.614 -0.828 17578 9677 1 18 . 1 1 3 3 LYS HA H 38 4.026 4.026 4.135 -0.109 17578 9678 1 18 . 1 1 3 3 LYS C C 38 179.176 179.176 178.542 0.634 17578 9679 1 18 . 1 1 3 3 LYS CA C 38 59.781 59.781 58.654 1.127 17578 9680 1 18 . 1 1 3 3 LYS CB C 38 32.626 32.626 31.489 1.137 17578 9681 1 18 . 1 1 4 4 LEU N N 39 122.003 122.003 120.937 1.066 17578 9682 1 18 . 1 1 4 4 LEU HA H 39 4.159 4.159 3.939 0.220 17578 9683 1 18 . 1 1 4 4 LEU C C 39 178.232 178.232 178.423 -0.191 17578 9684 1 18 . 1 1 4 4 LEU CA C 39 57.470 57.470 58.688 -1.218 17578 9685 1 18 . 1 1 4 4 LEU CB C 39 40.343 40.343 41.348 -1.005 17578 9686 1 18 . 1 1 4 4 LEU H H 39 7.877 7.877 8.159 -0.282 17578 9687 1 18 . 1 1 5 5 ASN N N 40 118.692 118.692 116.795 1.897 17578 9688 1 18 . 1 1 5 5 ASN HA H 40 3.997 3.997 4.333 -0.336 17578 9689 1 18 . 1 1 5 5 ASN C C 40 176.054 176.054 177.629 -1.575 17578 9690 1 18 . 1 1 5 5 ASN CA C 40 57.622 57.622 56.060 1.562 17578 9691 1 18 . 1 1 5 5 ASN CB C 40 40.113 40.113 37.649 2.464 17578 9692 1 18 . 1 1 5 5 ASN H H 40 9.313 9.313 7.860 1.453 17578 9693 1 18 . 1 1 6 6 LYS N N 41 115.497 115.497 120.607 -5.110 17578 9694 1 18 . 1 1 6 6 LYS HA H 41 3.928 3.928 4.015 -0.087 17578 9695 1 18 . 1 1 6 6 LYS C C 41 179.133 179.133 179.012 0.121 17578 9696 1 18 . 1 1 6 6 LYS CA C 41 59.909 59.909 58.879 1.030 17578 9697 1 18 . 1 1 6 6 LYS CB C 41 32.256 32.256 31.762 0.494 17578 9698 1 18 . 1 1 6 6 LYS H H 41 7.230 7.230 7.531 -0.301 17578 9699 1 18 . 1 1 7 7 LYS N N 42 118.961 118.961 119.499 -0.538 17578 9700 1 18 . 1 1 7 7 LYS HA H 42 4.040 4.040 4.029 0.011 17578 9701 1 18 . 1 1 7 7 LYS C C 42 180.272 180.272 179.231 1.041 17578 9702 1 18 . 1 1 7 7 LYS CA C 42 59.988 59.988 59.298 0.690 17578 9703 1 18 . 1 1 7 7 LYS CB C 42 33.462 33.462 32.230 1.232 17578 9704 1 18 . 1 1 7 7 LYS H H 42 7.367 7.367 8.074 -0.707 17578 9705 1 18 . 1 1 8 8 VAL N N 43 122.400 122.400 119.553 2.847 17578 9706 1 18 . 1 1 8 8 VAL HA H 43 3.303 3.303 3.893 -0.590 17578 9707 1 18 . 1 1 8 8 VAL CA C 43 67.430 67.430 67.021 0.409 17578 9708 1 18 . 1 1 8 8 VAL CB C 43 31.374 31.374 31.466 -0.092 17578 9709 1 18 . 1 1 8 8 VAL H H 43 9.215 9.215 8.160 1.055 17578 9710 1 18 . 1 1 9 9 LEU N N 44 119.626 119.626 121.740 -2.114 17578 9711 1 18 . 1 1 9 9 LEU HA H 44 3.833 3.833 4.107 -0.274 17578 9712 1 18 . 1 1 9 9 LEU CA C 44 58.453 58.453 58.081 0.372 17578 9713 1 18 . 1 1 9 9 LEU CB C 44 41.171 41.171 41.554 -0.383 17578 9714 1 18 . 1 1 9 9 LEU H H 44 8.471 8.471 8.377 0.094 17578 9715 1 18 . 1 1 10 10 LYS N N 45 119.761 119.761 118.466 1.295 17578 9716 1 18 . 1 1 10 10 LYS HA H 45 4.026 4.026 4.034 -0.008 17578 9717 1 18 . 1 1 10 10 LYS CA C 45 59.919 59.919 59.108 0.810 17578 9718 1 18 . 1 1 10 10 LYS CB C 45 32.430 32.430 31.505 0.925 17578 9719 1 18 . 1 1 10 10 LYS H H 45 7.883 7.883 8.278 -0.395 17578 9720 1 18 . 1 1 11 11 THR N N 46 116.469 116.469 117.760 -1.291 17578 9721 1 18 . 1 1 11 11 THR HA H 46 4.339 4.339 3.892 0.447 17578 9722 1 18 . 1 1 11 11 THR C C 46 175.987 175.987 176.637 -0.650 17578 9723 1 18 . 1 1 11 11 THR CB C 46 68.013 68.013 68.556 -0.543 17578 9724 1 18 . 1 1 11 11 THR H H 46 7.805 7.805 8.122 -0.317 17578 9725 1 18 . 1 1 12 12 VAL N N 47 121.907 121.907 121.230 0.677 17578 9726 1 18 . 1 1 12 12 VAL HA H 47 3.232 3.232 4.043 -0.811 17578 9727 1 18 . 1 1 12 12 VAL CA C 47 67.331 67.331 65.767 1.564 17578 9728 1 18 . 1 1 12 12 VAL CB C 47 31.438 31.438 31.701 -0.264 17578 9729 1 18 . 1 1 12 12 VAL H H 47 8.782 8.782 8.351 0.431 17578 9730 1 18 . 1 1 13 13 LYS N N 48 122.393 122.393 119.447 2.946 17578 9731 1 18 . 1 1 13 13 LYS HA H 48 4.258 4.258 4.066 0.192 17578 9732 1 18 . 1 1 13 13 LYS C C 48 179.808 179.808 178.990 0.818 17578 9733 1 18 . 1 1 13 13 LYS CA C 48 59.999 59.999 59.138 0.861 17578 9734 1 18 . 1 1 13 13 LYS CB C 48 32.553 32.553 32.188 0.365 17578 9735 1 18 . 1 1 13 13 LYS H H 48 8.171 8.171 8.078 0.093 17578 9736 1 18 . 1 1 14 14 LYS N N 49 118.852 118.852 118.345 0.507 17578 9737 1 18 . 1 1 14 14 LYS HA H 49 3.973 3.973 4.152 -0.179 17578 9738 1 18 . 1 1 14 14 LYS CA C 49 59.811 59.811 58.662 1.149 17578 9739 1 18 . 1 1 14 14 LYS CB C 49 33.389 33.389 32.542 0.847 17578 9740 1 18 . 1 1 14 14 LYS H H 49 7.941 7.941 7.860 0.081 17578 9741 1 18 . 1 1 15 15 ALA N N 50 122.047 122.047 122.200 -0.153 17578 9742 1 18 . 1 1 15 15 ALA HA H 50 3.496 3.496 4.037 -0.541 17578 9743 1 18 . 1 1 15 15 ALA CA C 50 54.709 54.709 54.686 0.023 17578 9744 1 18 . 1 1 15 15 ALA CB C 50 18.917 18.917 17.941 0.976 17578 9745 1 18 . 1 1 15 15 ALA H H 50 8.544 8.544 8.153 0.391 17578 9746 1 18 . 1 1 16 16 SER N N 51 116.561 116.561 113.986 2.575 17578 9747 1 18 . 1 1 16 16 SER HA H 51 4.730 4.730 4.102 0.628 17578 9748 1 18 . 1 1 16 16 SER C C 51 178.560 178.560 175.962 2.598 17578 9749 1 18 . 1 1 16 16 SER CA C 51 61.680 61.680 61.313 0.367 17578 9750 1 18 . 1 1 16 16 SER CB C 51 62.551 62.551 62.991 -0.440 17578 9751 1 18 . 1 1 16 16 SER H H 51 8.551 8.551 8.199 0.352 17578 9752 1 18 . 1 1 17 17 LYS N N 52 124.890 124.890 119.561 5.329 17578 9753 1 18 . 1 1 17 17 LYS HA H 52 4.072 4.072 4.117 -0.045 17578 9754 1 18 . 1 1 17 17 LYS C C 52 177.377 177.377 176.998 0.379 17578 9755 1 18 . 1 1 17 17 LYS CA C 52 58.931 58.931 58.014 0.917 17578 9756 1 18 . 1 1 17 17 LYS CB C 52 31.961 31.961 32.523 -0.561 17578 9757 1 18 . 1 1 17 17 LYS H H 52 7.578 7.578 7.554 0.024 17578 9758 1 18 . 1 1 18 18 ALA N N 53 118.628 118.628 119.403 -0.775 17578 9759 1 18 . 1 1 18 18 ALA HA H 53 4.285 4.285 4.311 -0.026 17578 9760 1 18 . 1 1 18 18 ALA C C 53 175.061 175.061 177.012 -1.951 17578 9761 1 18 . 1 1 18 18 ALA CA C 53 51.822 51.822 52.071 -0.249 17578 9762 1 18 . 1 1 18 18 ALA CB C 53 19.390 19.390 19.045 0.345 17578 9763 1 18 . 1 1 18 18 ALA H H 53 7.112 7.112 7.511 -0.399 17578 9764 1 18 . 1 1 19 19 LYS N N 54 111.984 111.984 116.547 -4.563 17578 9765 1 18 . 1 1 19 19 LYS HA H 54 4.026 4.026 3.889 0.137 17578 9766 1 18 . 1 1 19 19 LYS CA C 54 57.222 57.222 57.058 0.164 17578 9767 1 18 . 1 1 19 19 LYS CB C 54 28.387 28.387 29.924 -1.537 17578 9768 1 18 . 1 1 19 19 LYS H H 54 7.653 7.653 7.542 0.111 17578 9769 1 18 . 1 1 20 20 ASN N N 55 116.088 116.088 115.410 0.678 17578 9770 1 18 . 1 1 20 20 ASN HA H 55 5.102 5.102 4.690 0.412 17578 9771 1 18 . 1 1 20 20 ASN C C 55 172.975 172.975 173.640 -0.665 17578 9772 1 18 . 1 1 20 20 ASN CA C 55 51.215 51.215 52.146 -0.931 17578 9773 1 18 . 1 1 20 20 ASN CB C 55 40.316 40.316 39.425 0.892 17578 9774 1 18 . 1 1 20 20 ASN H H 55 8.118 8.118 7.766 0.352 17578 9775 1 18 . 1 1 21 21 VAL N N 56 114.959 114.959 119.708 -4.749 17578 9776 1 18 . 1 1 21 21 VAL HA H 56 4.938 4.938 4.090 0.848 17578 9777 1 18 . 1 1 21 21 VAL C C 56 175.409 175.409 173.847 1.562 17578 9778 1 18 . 1 1 21 21 VAL CA C 56 60.901 60.901 60.910 -0.009 17578 9779 1 18 . 1 1 21 21 VAL CB C 56 35.368 35.368 34.839 0.529 17578 9780 1 18 . 1 1 21 21 VAL H H 56 7.628 7.628 7.523 0.105 17578 9781 1 18 . 1 1 22 22 LYS N N 57 126.485 126.485 126.604 -0.119 17578 9782 1 18 . 1 1 22 22 LYS HA H 57 4.712 4.712 4.729 -0.017 17578 9783 1 18 . 1 1 22 22 LYS C C 57 175.394 175.394 174.164 1.230 17578 9784 1 18 . 1 1 22 22 LYS CA C 57 54.485 54.485 54.099 0.386 17578 9785 1 18 . 1 1 22 22 LYS CB C 57 33.669 33.669 36.569 -2.900 17578 9786 1 18 . 1 1 22 22 LYS H H 57 8.987 8.987 8.580 0.407 17578 9787 1 18 . 1 1 23 23 ARG N N 58 122.011 122.011 119.317 2.694 17578 9788 1 18 . 1 1 23 23 ARG HA H 58 4.837 4.837 5.085 -0.248 17578 9789 1 18 . 1 1 23 23 ARG C C 58 175.930 175.930 175.744 0.186 17578 9790 1 18 . 1 1 23 23 ARG CA C 58 55.872 55.872 54.859 1.013 17578 9791 1 18 . 1 1 23 23 ARG CB C 58 33.513 33.513 32.649 0.864 17578 9792 1 18 . 1 1 23 23 ARG H H 58 9.024 9.024 8.652 0.372 17578 9793 1 18 . 1 1 24 24 GLY N N 59 111.007 111.007 111.803 -0.796 17578 9794 1 18 . 1 1 24 24 GLY CA C 59 44.790 44.790 44.873 -0.083 17578 9795 1 18 . 1 1 24 24 GLY H H 59 8.315 8.315 8.971 -0.656 17578 9796 1 18 . 1 1 25 25 VAL N N 60 119.423 119.423 121.897 -2.474 17578 9797 1 18 . 1 1 25 25 VAL HA H 60 3.156 3.156 3.584 -0.428 17578 9798 1 18 . 1 1 25 25 VAL C C 60 176.562 176.562 176.890 -0.328 17578 9799 1 18 . 1 1 25 25 VAL CA C 60 68.037 68.037 65.514 2.523 17578 9800 1 18 . 1 1 25 25 VAL CB C 60 32.050 32.050 31.990 0.060 17578 9801 1 18 . 1 1 25 25 VAL H H 60 8.152 8.152 8.500 -0.348 17578 9802 1 18 . 1 1 26 26 LYS N N 61 117.316 117.316 118.709 -1.393 17578 9803 1 18 . 1 1 26 26 LYS HA H 61 3.919 3.919 4.072 -0.153 17578 9804 1 18 . 1 1 26 26 LYS C C 61 180.130 180.130 178.377 1.753 17578 9805 1 18 . 1 1 26 26 LYS CA C 61 60.157 60.157 59.033 1.123 17578 9806 1 18 . 1 1 26 26 LYS CB C 61 32.041 32.041 31.592 0.449 17578 9807 1 18 . 1 1 26 26 LYS H H 61 8.156 8.156 8.604 -0.448 17578 9808 1 18 . 1 1 27 27 GLU N N 62 117.535 117.535 119.264 -1.729 17578 9809 1 18 . 1 1 27 27 GLU HA H 62 3.961 3.961 4.151 -0.190 17578 9810 1 18 . 1 1 27 27 GLU CA C 62 58.787 58.787 59.049 -0.262 17578 9811 1 18 . 1 1 27 27 GLU CB C 62 29.843 29.843 29.355 0.488 17578 9812 1 18 . 1 1 27 27 GLU H H 62 8.531 8.531 7.804 0.727 17578 9813 1 18 . 1 1 28 28 VAL N N 63 120.589 120.589 117.072 3.517 17578 9814 1 18 . 1 1 28 28 VAL HA H 63 3.498 3.498 2.677 0.821 17578 9815 1 18 . 1 1 28 28 VAL CA C 63 68.099 68.099 65.762 2.337 17578 9816 1 18 . 1 1 28 28 VAL CB C 63 31.376 31.376 30.855 0.521 17578 9817 1 18 . 1 1 28 28 VAL H H 63 8.255 8.255 7.868 0.387 17578 9818 1 18 . 1 1 29 29 VAL N N 64 118.570 118.570 121.081 -2.511 17578 9819 1 18 . 1 1 29 29 VAL HA H 64 3.359 3.359 3.467 -0.108 17578 9820 1 18 . 1 1 29 29 VAL C C 64 177.549 177.549 178.064 -0.515 17578 9821 1 18 . 1 1 29 29 VAL CA C 64 67.456 67.456 66.541 0.915 17578 9822 1 18 . 1 1 29 29 VAL CB C 64 31.233 31.233 30.741 0.492 17578 9823 1 18 . 1 1 29 29 VAL H H 64 8.535 8.535 7.968 0.567 17578 9824 1 18 . 1 1 30 30 LYS N N 65 117.926 117.926 119.308 -1.382 17578 9825 1 18 . 1 1 30 30 LYS HA H 65 3.875 3.875 3.876 -0.001 17578 9826 1 18 . 1 1 30 30 LYS CA C 65 59.811 59.811 59.001 0.810 17578 9827 1 18 . 1 1 30 30 LYS CB C 65 32.715 32.715 31.883 0.832 17578 9828 1 18 . 1 1 30 30 LYS H H 65 7.538 7.538 7.831 -0.293 17578 9829 1 18 . 1 1 31 31 ALA N N 66 120.475 120.475 122.429 -1.954 17578 9830 1 18 . 1 1 31 31 ALA HA H 66 4.071 4.071 4.054 0.017 17578 9831 1 18 . 1 1 31 31 ALA C C 66 179.596 179.596 179.578 0.018 17578 9832 1 18 . 1 1 31 31 ALA CA C 66 55.051 55.051 55.093 -0.042 17578 9833 1 18 . 1 1 31 31 ALA CB C 66 18.901 18.901 17.736 1.165 17578 9834 1 18 . 1 1 31 31 ALA H H 66 7.496 7.496 7.933 -0.437 17578 9835 1 18 . 1 1 32 32 LEU N N 67 119.357 119.357 120.204 -0.847 17578 9836 1 18 . 1 1 32 32 LEU HA H 67 3.854 3.854 3.858 -0.004 17578 9837 1 18 . 1 1 32 32 LEU CA C 67 57.859 57.859 57.782 0.077 17578 9838 1 18 . 1 1 32 32 LEU CB C 67 42.442 42.442 40.896 1.546 17578 9839 1 18 . 1 1 32 32 LEU H H 67 8.376 8.376 7.678 0.698 17578 9840 1 18 . 1 1 33 33 ARG N N 68 116.045 116.045 117.993 -1.948 17578 9841 1 18 . 1 1 33 33 ARG HA H 68 3.802 3.802 3.963 -0.161 17578 9842 1 18 . 1 1 33 33 ARG CA C 68 59.306 59.306 58.724 0.582 17578 9843 1 18 . 1 1 33 33 ARG CB C 68 29.759 29.759 30.164 -0.405 17578 9844 1 18 . 1 1 33 33 ARG H H 68 8.091 8.091 7.792 0.299 17578 9845 1 18 . 1 1 34 34 LYS N N 69 117.845 117.845 117.086 0.759 17578 9846 1 18 . 1 1 34 34 LYS HA H 69 4.255 4.255 4.254 0.001 17578 9847 1 18 . 1 1 34 34 LYS C C 69 176.831 176.831 177.757 -0.926 17578 9848 1 18 . 1 1 34 34 LYS CA C 69 56.548 56.548 56.908 -0.360 17578 9849 1 18 . 1 1 34 34 LYS CB C 69 32.710 32.710 33.386 -0.676 17578 9850 1 18 . 1 1 34 34 LYS H H 69 7.616 7.616 7.862 -0.246 17578 9851 1 18 . 1 1 35 35 GLY N N 70 106.783 106.783 105.827 0.956 17578 9852 1 18 . 1 1 35 35 GLY CA C 70 45.537 45.537 45.302 0.235 17578 9853 1 18 . 1 1 35 35 GLY H H 70 7.739 7.739 8.323 -0.584 17578 9854 1 18 . 1 1 36 36 GLU N N 71 119.424 119.424 116.837 2.587 17578 9855 1 18 . 1 1 36 36 GLU HA H 71 4.226 4.226 4.677 -0.451 17578 9856 1 18 . 1 1 36 36 GLU C C 71 175.400 175.400 175.995 -0.595 17578 9857 1 18 . 1 1 36 36 GLU CA C 71 57.414 57.414 55.511 1.903 17578 9858 1 18 . 1 1 36 36 GLU CB C 71 29.442 29.442 30.700 -1.258 17578 9859 1 18 . 1 1 36 36 GLU H H 71 7.698 7.698 7.919 -0.221 17578 9860 1 18 . 1 1 37 37 LYS N N 72 118.290 118.290 121.117 -2.827 17578 9861 1 18 . 1 1 37 37 LYS HA H 72 4.903 4.903 4.237 0.665 17578 9862 1 18 . 1 1 37 37 LYS C C 72 175.809 175.809 176.432 -0.623 17578 9863 1 18 . 1 1 37 37 LYS CA C 72 53.791 53.791 57.007 -3.216 17578 9864 1 18 . 1 1 37 37 LYS CB C 72 34.781 34.781 32.033 2.748 17578 9865 1 18 . 1 1 37 37 LYS H H 72 8.223 8.223 7.430 0.793 17578 9866 1 18 . 1 1 38 38 GLY N N 73 104.682 104.682 110.016 -5.334 17578 9867 1 18 . 1 1 38 38 GLY C C 73 171.884 171.884 173.719 -1.835 17578 9868 1 18 . 1 1 38 38 GLY CA C 73 46.360 46.360 44.857 1.503 17578 9869 1 18 . 1 1 38 38 GLY H H 73 7.217 7.217 8.294 -1.077 17578 9870 1 18 . 1 1 39 39 LEU N N 74 125.372 125.372 121.693 3.679 17578 9871 1 18 . 1 1 39 39 LEU HA H 74 4.994 4.994 4.761 0.233 17578 9872 1 18 . 1 1 39 39 LEU C C 74 174.380 174.380 176.132 -1.752 17578 9873 1 18 . 1 1 39 39 LEU CA C 74 54.363 54.363 53.362 1.001 17578 9874 1 18 . 1 1 39 39 LEU CB C 74 47.028 47.028 43.992 3.036 17578 9875 1 18 . 1 1 39 39 LEU H H 74 8.945 8.945 8.178 0.767 17578 9876 1 18 . 1 1 40 40 VAL N N 75 130.967 130.967 123.346 7.621 17578 9877 1 18 . 1 1 40 40 VAL HA H 75 4.644 4.644 4.325 0.319 17578 9878 1 18 . 1 1 40 40 VAL C C 75 173.667 173.667 174.422 -0.755 17578 9879 1 18 . 1 1 40 40 VAL CA C 75 62.273 62.273 61.924 0.349 17578 9880 1 18 . 1 1 40 40 VAL CB C 75 32.591 32.591 32.759 -0.168 17578 9881 1 18 . 1 1 40 40 VAL H H 75 8.551 8.551 8.741 -0.190 17578 9882 1 18 . 1 1 41 41 VAL N N 76 127.493 127.493 128.369 -0.876 17578 9883 1 18 . 1 1 41 41 VAL HA H 76 4.660 4.660 4.152 0.508 17578 9884 1 18 . 1 1 41 41 VAL C C 76 173.669 173.669 174.913 -1.244 17578 9885 1 18 . 1 1 41 41 VAL CA C 76 60.899 60.899 62.394 -1.495 17578 9886 1 18 . 1 1 41 41 VAL CB C 76 33.346 33.346 32.166 1.180 17578 9887 1 18 . 1 1 41 41 VAL H H 76 8.804 8.804 9.010 -0.206 17578 9888 1 18 . 1 1 42 42 ILE N N 77 125.646 125.646 127.146 -1.500 17578 9889 1 18 . 1 1 42 42 ILE HA H 77 4.444 4.444 4.529 -0.085 17578 9890 1 18 . 1 1 42 42 ILE C C 77 174.817 174.817 174.607 0.210 17578 9891 1 18 . 1 1 42 42 ILE CA C 77 59.700 59.700 58.339 1.361 17578 9892 1 18 . 1 1 42 42 ILE CB C 77 39.977 39.977 40.038 -0.061 17578 9893 1 18 . 1 1 42 42 ILE H H 77 8.613 8.613 8.526 0.087 17578 9894 1 18 . 1 1 43 43 ALA N N 78 128.691 128.691 128.839 -0.148 17578 9895 1 18 . 1 1 43 43 ALA HA H 78 4.459 4.459 5.207 -0.748 17578 9896 1 18 . 1 1 43 43 ALA C C 78 177.584 177.584 178.515 -0.931 17578 9897 1 18 . 1 1 43 43 ALA CA C 78 52.372 52.372 50.094 2.278 17578 9898 1 18 . 1 1 43 43 ALA CB C 78 19.504 19.504 19.735 -0.231 17578 9899 1 18 . 1 1 43 43 ALA H H 78 8.565 8.565 7.960 0.605 17578 9900 1 18 . 1 1 44 44 GLY N N 79 103.957 103.957 110.456 -6.499 17578 9901 1 18 . 1 1 44 44 GLY C C 79 173.252 173.252 174.870 -1.618 17578 9902 1 18 . 1 1 44 44 GLY CA C 79 45.764 45.764 46.228 -0.464 17578 9903 1 18 . 1 1 44 44 GLY H H 79 9.083 9.083 8.697 0.386 17578 9904 1 18 . 1 1 45 45 ASP N N 80 118.632 118.632 120.666 -2.034 17578 9905 1 18 . 1 1 45 45 ASP HA H 80 4.918 4.918 4.919 -0.001 17578 9906 1 18 . 1 1 45 45 ASP CA C 80 52.689 52.689 53.214 -0.525 17578 9907 1 18 . 1 1 45 45 ASP CB C 80 39.118 39.118 40.797 -1.679 17578 9908 1 18 . 1 1 45 45 ASP H H 80 8.695 8.695 8.263 0.432 17578 9909 1 18 . 1 1 46 46 ILE N N 81 117.935 117.935 119.691 -1.756 17578 9910 1 18 . 1 1 46 46 ILE HA H 81 4.179 4.179 4.238 -0.059 17578 9911 1 18 . 1 1 46 46 ILE C C 81 172.890 172.890 174.572 -1.682 17578 9912 1 18 . 1 1 46 46 ILE CA C 81 59.242 59.242 59.635 -0.393 17578 9913 1 18 . 1 1 46 46 ILE CB C 81 39.253 39.253 40.987 -1.734 17578 9914 1 18 . 1 1 46 46 ILE H H 81 6.730 6.730 7.478 -0.748 17578 9915 1 18 . 1 1 47 47 TRP N N 82 123.585 123.585 124.126 -0.541 17578 9916 1 18 . 1 1 47 47 TRP HA H 82 4.587 4.587 5.246 -0.659 17578 9917 1 18 . 1 1 47 47 TRP CA C 82 55.386 55.386 54.738 0.648 17578 9918 1 18 . 1 1 47 47 TRP CB C 82 32.147 32.147 28.613 3.534 17578 9919 1 18 . 1 1 47 47 TRP H H 82 7.804 7.804 7.526 0.278 17578 9920 1 18 . 1 1 48 48 PRO HA H 83 4.248 4.248 4.735 -0.487 17578 9921 1 18 . 1 1 48 48 PRO CA C 83 62.712 62.712 62.453 0.259 17578 9922 1 18 . 1 1 48 48 PRO CB C 83 34.011 34.011 32.690 1.321 17578 9923 1 18 . 1 1 49 49 ALA N N 84 121.827 121.827 120.536 1.291 17578 9924 1 18 . 1 1 49 49 ALA HA H 84 3.969 3.969 4.306 -0.337 17578 9925 1 18 . 1 1 49 49 ALA CA C 84 54.183 54.183 52.818 1.365 17578 9926 1 18 . 1 1 49 49 ALA CB C 84 19.404 19.404 18.660 0.744 17578 9927 1 18 . 1 1 49 49 ALA H H 84 8.198 8.198 8.517 -0.319 17578 9928 1 18 . 1 1 50 50 ASP N N 85 114.049 114.049 120.164 -6.115 17578 9929 1 18 . 1 1 50 50 ASP HA H 85 4.301 4.301 4.383 -0.082 17578 9930 1 18 . 1 1 50 50 ASP C C 85 177.428 177.428 178.088 -0.660 17578 9931 1 18 . 1 1 50 50 ASP CA C 85 55.777 55.777 56.949 -1.172 17578 9932 1 18 . 1 1 50 50 ASP CB C 85 40.060 40.060 40.515 -0.455 17578 9933 1 18 . 1 1 50 50 ASP H H 85 8.008 8.008 8.707 -0.699 17578 9934 1 18 . 1 1 51 51 VAL N N 86 116.790 116.790 119.215 -2.425 17578 9935 1 18 . 1 1 51 51 VAL HA H 86 3.841 3.841 3.735 0.106 17578 9936 1 18 . 1 1 51 51 VAL C C 86 176.231 176.231 178.119 -1.888 17578 9937 1 18 . 1 1 51 51 VAL CA C 86 65.332 65.332 65.760 -0.428 17578 9938 1 18 . 1 1 51 51 VAL CB C 86 32.123 32.123 31.165 0.958 17578 9939 1 18 . 1 1 51 51 VAL H H 86 7.542 7.542 7.582 -0.040 17578 9940 1 18 . 1 1 52 52 ILE N N 87 107.529 107.529 119.240 -11.711 17578 9941 1 18 . 1 1 52 52 ILE HA H 87 4.638 4.638 3.772 0.866 17578 9942 1 18 . 1 1 52 52 ILE C C 87 178.026 178.026 177.592 0.434 17578 9943 1 18 . 1 1 52 52 ILE CA C 87 59.806 59.806 64.104 -4.298 17578 9944 1 18 . 1 1 52 52 ILE CB C 87 40.742 40.742 36.648 4.094 17578 9945 1 18 . 1 1 52 52 ILE H H 87 7.310 7.310 8.536 -1.226 17578 9946 1 18 . 1 1 53 53 SER N N 88 116.004 116.004 113.643 2.361 17578 9947 1 18 . 1 1 53 53 SER HA H 88 4.566 4.566 4.337 0.229 17578 9948 1 18 . 1 1 53 53 SER CA C 88 61.760 61.760 60.074 1.686 17578 9949 1 18 . 1 1 53 53 SER CB C 88 62.391 62.391 63.894 -1.503 17578 9950 1 18 . 1 1 53 53 SER H H 88 7.827 7.827 7.927 -0.100 17578 9951 1 18 . 1 1 54 54 HIS HA H 89 4.572 4.572 4.357 0.215 17578 9952 1 18 . 1 1 54 54 HIS CA C 89 56.789 56.789 58.923 -2.134 17578 9953 1 18 . 1 1 54 54 HIS CB C 89 30.527 30.527 29.948 0.579 17578 9954 1 18 . 1 1 55 55 ILE N N 90 120.579 120.579 121.006 -0.427 17578 9955 1 18 . 1 1 55 55 ILE HA H 90 3.512 3.512 3.577 -0.065 17578 9956 1 18 . 1 1 55 55 ILE CA C 90 65.424 65.424 65.523 -0.099 17578 9957 1 18 . 1 1 55 55 ILE CB C 90 34.176 34.176 34.628 -0.452 17578 9958 1 18 . 1 1 55 55 ILE H H 90 7.764 7.764 8.312 -0.548 17578 9959 1 18 . 1 1 56 56 PRO HA H 91 2.942 2.942 4.289 -1.347 17578 9960 1 18 . 1 1 56 56 PRO C C 91 177.032 177.032 179.115 -2.083 17578 9961 1 18 . 1 1 56 56 PRO CA C 91 66.842 66.842 66.286 0.556 17578 9962 1 18 . 1 1 56 56 PRO CB C 91 31.206 31.206 31.141 0.065 17578 9963 1 18 . 1 1 57 57 VAL N N 92 114.379 114.379 118.517 -4.138 17578 9964 1 18 . 1 1 57 57 VAL HA H 92 3.574 3.574 3.697 -0.123 17578 9965 1 18 . 1 1 57 57 VAL CA C 92 65.900 65.900 66.085 -0.185 17578 9966 1 18 . 1 1 57 57 VAL CB C 92 31.600 31.600 31.738 -0.137 17578 9967 1 18 . 1 1 57 57 VAL H H 92 6.497 6.497 7.632 -1.135 17578 9968 1 18 . 1 1 58 58 LEU N N 93 120.522 120.522 118.320 2.202 17578 9969 1 18 . 1 1 58 58 LEU HA H 93 4.227 4.227 3.799 0.428 17578 9970 1 18 . 1 1 58 58 LEU C C 93 180.251 180.251 178.055 2.196 17578 9971 1 18 . 1 1 58 58 LEU CA C 93 57.838 57.838 57.448 0.390 17578 9972 1 18 . 1 1 58 58 LEU CB C 93 43.172 43.172 41.419 1.753 17578 9973 1 18 . 1 1 58 58 LEU H H 93 7.460 7.460 7.794 -0.334 17578 9974 1 18 . 1 1 59 59 CYS N N 94 117.195 117.195 120.288 -3.093 17578 9975 1 18 . 1 1 59 59 CYS HA H 94 3.867 3.867 4.393 -0.526 17578 9976 1 18 . 1 1 59 59 CYS C C 94 176.362 176.362 176.942 -0.580 17578 9977 1 18 . 1 1 59 59 CYS CA C 94 65.379 65.379 62.465 2.914 17578 9978 1 18 . 1 1 59 59 CYS CB C 94 26.344 26.344 28.121 -1.777 17578 9979 1 18 . 1 1 59 59 CYS H H 94 8.335 8.335 8.005 0.330 17578 9980 1 18 . 1 1 60 60 GLU N N 95 120.777 120.777 119.582 1.195 17578 9981 1 18 . 1 1 60 60 GLU HA H 95 4.209 4.209 4.109 0.100 17578 9982 1 18 . 1 1 60 60 GLU CA C 95 59.760 59.760 58.750 1.010 17578 9983 1 18 . 1 1 60 60 GLU CB C 95 29.201 29.201 29.673 -0.472 17578 9984 1 18 . 1 1 60 60 GLU H H 95 8.235 8.235 8.448 -0.213 17578 9985 1 18 . 1 1 61 61 ASP N N 96 120.910 120.910 117.868 3.042 17578 9986 1 18 . 1 1 61 61 ASP HA H 96 4.292 4.292 4.570 -0.278 17578 9987 1 18 . 1 1 61 61 ASP C C 96 177.890 177.890 177.564 0.326 17578 9988 1 18 . 1 1 61 61 ASP CA C 96 57.235 57.235 56.163 1.071 17578 9989 1 18 . 1 1 61 61 ASP CB C 96 40.580 40.580 40.884 -0.304 17578 9990 1 18 . 1 1 61 61 ASP H H 96 8.509 8.509 7.815 0.694 17578 9991 1 18 . 1 1 62 62 HIS N N 97 115.923 115.923 116.109 -0.186 17578 9992 1 18 . 1 1 62 62 HIS HA H 97 4.495 4.495 4.808 -0.313 17578 9993 1 18 . 1 1 62 62 HIS C C 97 173.548 173.548 175.225 -1.677 17578 9994 1 18 . 1 1 62 62 HIS CA C 97 57.290 57.290 55.387 1.903 17578 9995 1 18 . 1 1 62 62 HIS CB C 97 29.997 29.997 31.463 -1.466 17578 9996 1 18 . 1 1 62 62 HIS H H 97 7.635 7.635 7.687 -0.052 17578 9997 1 18 . 1 1 63 63 SER N N 98 114.634 114.634 116.096 -1.462 17578 9998 1 18 . 1 1 63 63 SER HA H 98 4.489 4.489 4.137 0.352 17578 9999 1 18 . 1 1 63 63 SER C C 98 173.949 173.949 172.313 1.636 17578 10000 1 18 . 1 1 63 63 SER CA C 98 58.842 58.842 58.929 -0.087 17578 10001 1 18 . 1 1 63 63 SER CB C 98 61.396 61.396 62.082 -0.686 17578 10002 1 18 . 1 1 63 63 SER H H 98 7.888 7.888 8.353 -0.465 17578 10003 1 18 . 1 1 64 64 VAL N N 99 123.090 123.090 122.385 0.705 17578 10004 1 18 . 1 1 64 64 VAL HA H 99 4.721 4.721 4.404 0.317 17578 10005 1 18 . 1 1 64 64 VAL CA C 99 58.978 58.978 58.345 0.633 17578 10006 1 18 . 1 1 64 64 VAL CB C 99 35.228 35.228 34.715 0.513 17578 10007 1 18 . 1 1 64 64 VAL H H 99 8.590 8.590 7.324 1.266 17578 10008 1 18 . 1 1 65 65 PRO HA H 100 4.263 4.263 4.372 -0.109 17578 10009 1 18 . 1 1 65 65 PRO C C 100 173.191 173.191 175.513 -2.322 17578 10010 1 18 . 1 1 65 65 PRO CA C 100 63.427 63.427 62.565 0.862 17578 10011 1 18 . 1 1 65 65 PRO CB C 100 31.863 31.863 31.318 0.545 17578 10012 1 18 . 1 1 66 66 TYR N N 101 114.702 114.702 121.955 -7.253 17578 10013 1 18 . 1 1 66 66 TYR HA H 101 5.925 5.925 5.448 0.477 17578 10014 1 18 . 1 1 66 66 TYR CA C 101 53.501 53.501 56.058 -2.557 17578 10015 1 18 . 1 1 66 66 TYR CB C 101 41.793 41.793 41.462 0.331 17578 10016 1 18 . 1 1 66 66 TYR H H 101 6.243 6.243 7.627 -1.384 17578 10017 1 18 . 1 1 67 67 ILE N N 102 111.885 111.885 117.309 -5.424 17578 10018 1 18 . 1 1 67 67 ILE HA H 102 4.502 4.502 4.474 0.028 17578 10019 1 18 . 1 1 67 67 ILE C C 102 172.358 172.358 174.306 -1.948 17578 10020 1 18 . 1 1 67 67 ILE CA C 102 55.442 55.442 60.397 -4.955 17578 10021 1 18 . 1 1 67 67 ILE CB C 102 43.124 43.124 42.547 0.577 17578 10022 1 18 . 1 1 67 67 ILE H H 102 7.986 7.986 8.697 -0.711 17578 10023 1 18 . 1 1 68 68 PHE N N 103 122.274 122.274 128.448 -6.174 17578 10024 1 18 . 1 1 68 68 PHE HA H 103 5.087 5.087 4.841 0.246 17578 10025 1 18 . 1 1 68 68 PHE C C 103 176.173 176.173 174.473 1.700 17578 10026 1 18 . 1 1 68 68 PHE CA C 103 56.103 56.103 57.402 -1.299 17578 10027 1 18 . 1 1 68 68 PHE CB C 103 39.891 39.891 39.880 0.011 17578 10028 1 18 . 1 1 68 68 PHE H H 103 8.108 8.108 8.676 -0.568 17578 10029 1 18 . 1 1 69 69 ILE N N 104 114.613 114.613 122.541 -7.928 17578 10030 1 18 . 1 1 69 69 ILE HA H 104 4.927 4.927 4.694 0.233 17578 10031 1 18 . 1 1 69 69 ILE CA C 104 57.831 57.831 57.331 0.499 17578 10032 1 18 . 1 1 69 69 ILE CB C 104 38.302 38.302 38.957 -0.655 17578 10033 1 18 . 1 1 69 69 ILE H H 104 8.843 8.843 8.327 0.516 17578 10034 1 18 . 1 1 70 70 PRO HA H 105 4.093 4.093 4.517 -0.424 17578 10035 1 18 . 1 1 70 70 PRO CA C 105 66.439 66.439 62.635 3.804 17578 10036 1 18 . 1 1 70 70 PRO CB C 105 32.879 32.879 32.935 -0.056 17578 10037 1 18 . 1 1 71 71 SER N N 106 106.896 106.896 112.151 -5.255 17578 10038 1 18 . 1 1 71 71 SER HA H 106 5.227 5.227 4.444 0.783 17578 10039 1 18 . 1 1 71 71 SER CA C 106 55.373 55.373 58.648 -3.275 17578 10040 1 18 . 1 1 71 71 SER CB C 106 64.696 64.696 63.723 0.973 17578 10041 1 18 . 1 1 71 71 SER H H 106 7.548 7.548 8.189 -0.641 17578 10042 1 18 . 1 1 72 72 LYS N N 107 119.881 119.881 122.839 -2.958 17578 10043 1 18 . 1 1 72 72 LYS HA H 107 4.191 4.191 3.925 0.266 17578 10044 1 18 . 1 1 72 72 LYS CA C 107 58.623 58.623 60.573 -1.950 17578 10045 1 18 . 1 1 72 72 LYS CB C 107 30.957 30.957 31.859 -0.902 17578 10046 1 18 . 1 1 72 72 LYS H H 107 8.328 8.328 8.633 -0.305 17578 10047 1 18 . 1 1 73 73 GLN N N 108 123.720 123.720 116.913 6.807 17578 10048 1 18 . 1 1 73 73 GLN HA H 108 4.013 4.013 4.206 -0.193 17578 10049 1 18 . 1 1 73 73 GLN CA C 108 58.621 58.621 58.395 0.226 17578 10050 1 18 . 1 1 73 73 GLN CB C 108 28.331 28.331 28.076 0.255 17578 10051 1 18 . 1 1 73 73 GLN H H 108 8.543 8.543 8.387 0.156 17578 10052 1 18 . 1 1 74 74 ASP N N 109 121.068 121.068 120.227 0.841 17578 10053 1 18 . 1 1 74 74 ASP HA H 109 4.353 4.353 4.308 0.045 17578 10054 1 18 . 1 1 74 74 ASP CA C 109 56.941 56.941 57.746 -0.805 17578 10055 1 18 . 1 1 74 74 ASP CB C 109 40.403 40.403 40.454 -0.051 17578 10056 1 18 . 1 1 74 74 ASP H H 109 7.998 7.998 8.668 -0.670 17578 10057 1 18 . 1 1 75 75 LEU N N 110 120.670 120.670 119.675 0.995 17578 10058 1 18 . 1 1 75 75 LEU HA H 110 3.967 3.967 4.176 -0.209 17578 10059 1 18 . 1 1 75 75 LEU C C 110 178.753 178.753 179.374 -0.621 17578 10060 1 18 . 1 1 75 75 LEU CA C 110 57.080 57.080 56.944 0.136 17578 10061 1 18 . 1 1 75 75 LEU CB C 110 41.235 41.235 41.863 -0.628 17578 10062 1 18 . 1 1 75 75 LEU H H 110 7.999 7.999 7.699 0.300 17578 10063 1 18 . 1 1 76 76 GLY N N 111 105.512 105.512 107.160 -1.648 17578 10064 1 18 . 1 1 76 76 GLY C C 111 175.517 175.517 175.015 0.502 17578 10065 1 18 . 1 1 76 76 GLY CA C 111 46.745 46.745 47.495 -0.750 17578 10066 1 18 . 1 1 76 76 GLY H H 111 8.012 8.012 8.035 -0.023 17578 10067 1 18 . 1 1 77 77 ALA N N 112 122.891 122.891 123.740 -0.849 17578 10068 1 18 . 1 1 77 77 ALA HA H 112 4.180 4.180 4.446 -0.266 17578 10069 1 18 . 1 1 77 77 ALA CA C 112 53.652 53.652 53.577 0.076 17578 10070 1 18 . 1 1 77 77 ALA CB C 112 18.482 18.482 18.401 0.081 17578 10071 1 18 . 1 1 77 77 ALA H H 112 7.785 7.785 8.065 -0.280 17578 10072 1 18 . 1 1 78 78 ALA N N 113 121.205 121.205 120.663 0.542 17578 10073 1 18 . 1 1 78 78 ALA HA H 113 4.213 4.213 4.082 0.131 17578 10074 1 18 . 1 1 78 78 ALA CA C 113 53.503 53.503 54.339 -0.836 17578 10075 1 18 . 1 1 78 78 ALA CB C 113 18.897 18.897 19.097 -0.200 17578 10076 1 18 . 1 1 78 78 ALA H H 113 7.787 7.787 7.922 -0.135 17578 10077 1 18 . 1 1 79 79 GLY N N 114 104.082 104.082 103.800 0.282 17578 10078 1 18 . 1 1 79 79 GLY CA C 114 44.764 44.764 44.619 0.145 17578 10079 1 18 . 1 1 79 79 GLY H H 114 7.756 7.756 7.957 -0.201 17578 10080 1 18 . 1 1 80 80 ALA HA H 115 4.061 4.061 4.098 -0.037 17578 10081 1 18 . 1 1 80 80 ALA CA C 115 53.192 53.192 52.988 0.204 17578 10082 1 18 . 1 1 80 80 ALA CB C 115 19.493 19.493 17.000 2.493 17578 10083 1 18 . 1 1 81 81 THR N N 116 116.258 116.258 111.487 4.771 17578 10084 1 18 . 1 1 81 81 THR CA C 116 57.223 57.223 60.066 -2.842 17578 10085 1 18 . 1 1 81 81 THR CB C 116 64.784 64.784 70.044 -5.260 17578 10086 1 18 . 1 1 81 81 THR H H 116 8.121 8.121 7.658 0.463 17578 10087 1 18 . 1 1 83 83 ARG N N 118 122.269 122.269 120.945 1.324 17578 10088 1 18 . 1 1 83 83 ARG H H 118 8.128 8.128 7.546 0.582 17578 10089 1 18 . 1 1 85 85 THR N N 120 120.171 120.171 118.296 1.875 17578 10090 1 18 . 1 1 85 85 THR C C 120 172.729 172.729 173.895 -1.166 17578 10091 1 18 . 1 1 85 85 THR H H 120 8.127 8.127 7.968 0.159 17578 10092 1 18 . 1 1 86 86 SER N N 121 115.808 115.808 114.951 0.857 17578 10093 1 18 . 1 1 86 86 SER HA H 121 4.280 4.280 4.423 -0.143 17578 10094 1 18 . 1 1 86 86 SER CA C 121 59.573 59.573 58.583 0.990 17578 10095 1 18 . 1 1 86 86 SER CB C 121 64.384 64.384 63.839 0.545 17578 10096 1 18 . 1 1 86 86 SER H H 121 7.045 7.045 8.106 -1.061 17578 10097 1 18 . 1 1 87 87 VAL N N 122 115.790 115.790 118.348 -2.558 17578 10098 1 18 . 1 1 87 87 VAL HA H 122 5.203 5.203 4.658 0.545 17578 10099 1 18 . 1 1 87 87 VAL CA C 122 59.412 59.412 60.823 -1.411 17578 10100 1 18 . 1 1 87 87 VAL CB C 122 32.729 32.729 33.248 -0.519 17578 10101 1 18 . 1 1 87 87 VAL H H 122 7.082 7.082 7.623 -0.541 17578 10102 1 18 . 1 1 88 88 VAL N N 123 119.313 119.313 127.615 -8.302 17578 10103 1 18 . 1 1 88 88 VAL HA H 123 5.097 5.097 4.974 0.123 17578 10104 1 18 . 1 1 88 88 VAL C C 123 172.990 172.990 173.472 -0.482 17578 10105 1 18 . 1 1 88 88 VAL CA C 123 58.925 58.925 59.991 -1.066 17578 10106 1 18 . 1 1 88 88 VAL CB C 123 35.929 35.929 35.235 0.694 17578 10107 1 18 . 1 1 88 88 VAL H H 123 8.948 8.948 8.404 0.544 17578 10108 1 18 . 1 1 89 89 PHE N N 124 122.616 122.616 128.773 -6.157 17578 10109 1 18 . 1 1 89 89 PHE HA H 124 5.641 5.641 5.423 0.218 17578 10110 1 18 . 1 1 89 89 PHE C C 124 174.686 174.686 173.121 1.565 17578 10111 1 18 . 1 1 89 89 PHE CA C 124 52.579 52.579 54.478 -1.899 17578 10112 1 18 . 1 1 89 89 PHE CB C 124 42.392 42.392 42.369 0.023 17578 10113 1 18 . 1 1 89 89 PHE H H 124 9.065 9.065 9.136 -0.071 17578 10114 1 18 . 1 1 90 90 ILE N N 125 127.599 127.599 122.677 4.922 17578 10115 1 18 . 1 1 90 90 ILE HA H 125 4.268 4.268 3.985 0.283 17578 10116 1 18 . 1 1 90 90 ILE C C 125 173.652 173.652 174.897 -1.245 17578 10117 1 18 . 1 1 90 90 ILE CA C 125 61.605 61.605 59.820 1.785 17578 10118 1 18 . 1 1 90 90 ILE CB C 125 39.533 39.533 38.861 0.672 17578 10119 1 18 . 1 1 90 90 ILE H H 125 9.498 9.498 8.820 0.678 17578 10120 1 18 . 1 1 91 91 VAL N N 126 126.693 126.693 124.755 1.938 17578 10121 1 18 . 1 1 91 91 VAL HA H 126 4.595 4.595 4.732 -0.137 17578 10122 1 18 . 1 1 91 91 VAL CA C 126 58.380 58.380 58.493 -0.113 17578 10123 1 18 . 1 1 91 91 VAL CB C 126 32.597 32.597 33.321 -0.724 17578 10124 1 18 . 1 1 91 91 VAL H H 126 8.169 8.169 8.601 -0.432 17578 10125 1 18 . 1 1 92 92 PRO HA H 127 4.044 4.044 4.502 -0.458 17578 10126 1 18 . 1 1 92 92 PRO CA C 127 63.380 63.380 63.183 0.197 17578 10127 1 18 . 1 1 92 92 PRO CB C 127 31.735 31.735 32.455 -0.720 17578 10128 1 18 . 1 1 93 93 GLY N N 128 108.589 108.589 106.443 2.146 17578 10129 1 18 . 1 1 93 93 GLY CA C 128 45.443 45.443 45.153 0.290 17578 10130 1 18 . 1 1 93 93 GLY H H 128 8.022 8.022 8.671 -0.649 17578 10131 1 18 . 1 1 94 94 SER N N 129 113.115 113.115 114.207 -1.092 17578 10132 1 18 . 1 1 94 94 SER H H 129 7.992 7.992 7.638 0.354 17578 10133 1 18 . 1 1 95 95 ASN N N 130 120.738 120.738 122.622 -1.884 17578 10134 1 18 . 1 1 95 95 ASN C C 130 178.419 178.419 176.498 1.921 17578 10135 1 18 . 1 1 95 95 ASN CA C 130 57.337 57.337 55.766 1.571 17578 10136 1 18 . 1 1 95 95 ASN CB C 130 41.958 41.958 38.206 3.752 17578 10137 1 18 . 1 1 95 95 ASN H H 130 8.313 8.313 8.941 -0.628 17578 10138 1 18 . 1 1 96 96 LYS N N 131 119.159 119.159 119.243 -0.084 17578 10139 1 18 . 1 1 96 96 LYS HA H 131 4.021 4.021 4.308 -0.287 17578 10140 1 18 . 1 1 96 96 LYS CA C 131 58.749 58.749 58.385 0.364 17578 10141 1 18 . 1 1 96 96 LYS CB C 131 29.565 29.565 32.829 -3.264 17578 10142 1 18 . 1 1 96 96 LYS H H 131 7.881 7.881 7.888 -0.007 17578 10143 1 18 . 1 1 97 97 LYS N N 132 117.399 117.399 120.242 -2.843 17578 10144 1 18 . 1 1 97 97 LYS CA C 132 58.413 58.413 58.628 -0.215 17578 10145 1 18 . 1 1 97 97 LYS CB C 132 30.694 30.694 31.695 -1.001 17578 10146 1 18 . 1 1 97 97 LYS H H 132 7.765 7.765 7.488 0.277 17578 10147 1 18 . 1 1 98 98 LYS N N 133 119.160 119.160 117.907 1.253 17578 10148 1 18 . 1 1 98 98 LYS CA C 133 58.266 58.266 58.896 -0.630 17578 10149 1 18 . 1 1 98 98 LYS CB C 133 30.981 30.981 32.503 -1.522 17578 10150 1 18 . 1 1 98 98 LYS H H 133 8.070 8.070 7.574 0.496 17578 10151 1 18 . 1 1 99 99 ASP N N 134 120.602 120.602 116.879 3.723 17578 10152 1 18 . 1 1 99 99 ASP CA C 134 55.586 55.586 53.373 2.213 17578 10153 1 18 . 1 1 99 99 ASP CB C 134 41.898 41.898 41.791 0.107 17578 10154 1 18 . 1 1 99 99 ASP H H 134 8.255 8.255 7.768 0.487 17578 10155 1 18 . 1 1 100 100 GLY N N 135 108.785 108.785 108.101 0.684 17578 10156 1 18 . 1 1 100 100 GLY CA C 135 45.536 45.536 44.559 0.977 17578 10157 1 18 . 1 1 100 100 GLY H H 135 8.451 8.451 7.795 0.656 17578 10158 1 18 . 1 1 101 101 LYS N N 136 120.171 120.171 121.082 -0.911 17578 10159 1 18 . 1 1 101 101 LYS H H 136 8.127 8.127 8.418 -0.291 17578 10160 1 18 . 1 1 102 102 ASN N N 137 118.588 118.588 120.197 -1.609 17578 10161 1 18 . 1 1 102 102 ASN H H 137 8.481 8.481 8.329 0.152 17578 10162 1 18 . 1 1 103 103 LYS N N 138 121.739 121.739 120.122 1.617 17578 10163 1 18 . 1 1 103 103 LYS HA H 138 4.241 4.241 4.344 -0.103 17578 10164 1 18 . 1 1 103 103 LYS CA C 138 56.760 56.760 57.297 -0.537 17578 10165 1 18 . 1 1 103 103 LYS CB C 138 32.691 32.691 32.017 0.674 17578 10166 1 18 . 1 1 103 103 LYS H H 138 8.318 8.318 8.601 -0.283 17578 10167 1 18 . 1 1 104 104 GLU N N 139 120.980 120.980 120.888 0.092 17578 10168 1 18 . 1 1 104 104 GLU CA C 139 57.235 57.235 59.592 -2.357 17578 10169 1 18 . 1 1 104 104 GLU CB C 139 29.893 29.893 29.274 0.619 17578 10170 1 18 . 1 1 104 104 GLU H H 139 8.478 8.478 8.382 0.096 17578 10171 1 18 . 1 1 107 107 TYR N N 142 119.214 119.214 121.279 -2.065 17578 10172 1 18 . 1 1 107 107 TYR HA H 142 5.023 5.023 3.783 1.240 17578 10173 1 18 . 1 1 107 107 TYR C C 142 175.419 175.419 177.223 -1.804 17578 10174 1 18 . 1 1 107 107 TYR CA C 142 57.200 57.200 61.517 -4.317 17578 10175 1 18 . 1 1 107 107 TYR CB C 142 39.165 39.165 38.266 0.899 17578 10176 1 18 . 1 1 107 107 TYR H H 142 7.992 7.992 8.347 -0.355 17578 10177 1 18 . 1 1 108 108 LYS N N 143 123.500 123.500 118.464 5.036 17578 10178 1 18 . 1 1 108 108 LYS HA H 143 3.628 3.628 3.545 0.083 17578 10179 1 18 . 1 1 108 108 LYS CA C 143 59.619 59.619 59.155 0.464 17578 10180 1 18 . 1 1 108 108 LYS CB C 143 31.869 31.869 32.152 -0.283 17578 10181 1 18 . 1 1 108 108 LYS H H 143 7.377 7.377 8.205 -0.828 17578 10182 1 18 . 1 1 109 109 GLU N N 144 118.669 118.669 120.973 -2.304 17578 10183 1 18 . 1 1 109 109 GLU HA H 144 4.735 4.735 4.255 0.480 17578 10184 1 18 . 1 1 109 109 GLU CA C 144 59.865 59.865 59.089 0.776 17578 10185 1 18 . 1 1 109 109 GLU CB C 144 29.004 29.004 29.059 -0.056 17578 10186 1 18 . 1 1 109 109 GLU H H 144 8.583 8.583 8.043 0.540 17578 10187 1 18 . 1 1 110 110 SER N N 145 116.081 116.081 116.456 -0.375 17578 10188 1 18 . 1 1 110 110 SER HA H 145 4.448 4.448 4.300 0.148 17578 10189 1 18 . 1 1 110 110 SER CB C 145 64.178 64.178 63.412 0.766 17578 10190 1 18 . 1 1 110 110 SER H H 145 8.117 8.117 8.018 0.099 17578 10191 1 18 . 1 1 111 111 PHE N N 146 122.134 122.134 121.857 0.277 17578 10192 1 18 . 1 1 111 111 PHE HA H 146 4.022 4.022 4.119 -0.097 17578 10193 1 18 . 1 1 111 111 PHE C C 146 175.751 175.751 177.051 -1.300 17578 10194 1 18 . 1 1 111 111 PHE CA C 146 62.159 62.159 59.184 2.975 17578 10195 1 18 . 1 1 111 111 PHE CB C 146 39.533 39.533 37.938 1.595 17578 10196 1 18 . 1 1 111 111 PHE H H 146 8.553 8.553 8.189 0.364 17578 10197 1 18 . 1 1 112 112 ASN N N 147 117.856 117.856 117.436 0.420 17578 10198 1 18 . 1 1 112 112 ASN HA H 147 4.269 4.269 4.272 -0.003 17578 10199 1 18 . 1 1 112 112 ASN CA C 147 55.881 55.881 56.678 -0.797 17578 10200 1 18 . 1 1 112 112 ASN CB C 147 37.663 37.663 37.974 -0.311 17578 10201 1 18 . 1 1 112 112 ASN H H 147 8.809 8.809 8.663 0.146 17578 10202 1 18 . 1 1 113 113 GLU N N 148 119.708 119.708 121.084 -1.376 17578 10203 1 18 . 1 1 113 113 GLU HA H 148 4.021 4.021 4.038 -0.017 17578 10204 1 18 . 1 1 113 113 GLU CA C 148 59.385 59.385 59.335 0.050 17578 10205 1 18 . 1 1 113 113 GLU CB C 148 29.784 29.784 29.759 0.024 17578 10206 1 18 . 1 1 113 113 GLU H H 148 7.778 7.778 7.806 -0.028 17578 10207 1 18 . 1 1 114 114 VAL N N 149 119.680 119.680 120.052 -0.372 17578 10208 1 18 . 1 1 114 114 VAL HA H 149 3.556 3.556 3.656 -0.100 17578 10209 1 18 . 1 1 114 114 VAL CA C 149 66.625 66.625 67.035 -0.410 17578 10210 1 18 . 1 1 114 114 VAL CB C 149 31.368 31.368 31.961 -0.593 17578 10211 1 18 . 1 1 114 114 VAL H H 149 8.023 8.023 8.054 -0.031 17578 10212 1 18 . 1 1 115 115 VAL N N 150 119.684 119.684 116.484 3.200 17578 10213 1 18 . 1 1 115 115 VAL HA H 150 3.163 3.163 3.733 -0.570 17578 10214 1 18 . 1 1 115 115 VAL C C 150 177.270 177.270 177.913 -0.643 17578 10215 1 18 . 1 1 115 115 VAL CA C 150 67.984 67.984 66.007 1.977 17578 10216 1 18 . 1 1 115 115 VAL CB C 150 30.848 30.848 31.114 -0.267 17578 10217 1 18 . 1 1 115 115 VAL H H 150 8.480 8.480 8.532 -0.052 17578 10218 1 18 . 1 1 116 116 LYS N N 151 118.648 118.648 120.542 -1.894 17578 10219 1 18 . 1 1 116 116 LYS HA H 151 4.027 4.027 4.016 0.011 17578 10220 1 18 . 1 1 116 116 LYS CA C 151 59.691 59.691 59.147 0.544 17578 10221 1 18 . 1 1 116 116 LYS CB C 151 32.346 32.346 31.713 0.633 17578 10222 1 18 . 1 1 116 116 LYS H H 151 7.584 7.584 7.995 -0.411 17578 10223 1 18 . 1 1 117 117 GLU N N 152 120.177 120.177 119.910 0.267 17578 10224 1 18 . 1 1 117 117 GLU HA H 152 4.046 4.046 4.026 0.020 17578 10225 1 18 . 1 1 117 117 GLU CA C 152 59.932 59.932 59.489 0.443 17578 10226 1 18 . 1 1 117 117 GLU CB C 152 29.663 29.663 29.678 -0.015 17578 10227 1 18 . 1 1 117 117 GLU H H 152 7.528 7.528 7.819 -0.291 17578 10228 1 18 . 1 1 118 118 VAL N N 153 120.413 120.413 119.557 0.856 17578 10229 1 18 . 1 1 118 118 VAL HA H 153 3.421 3.421 3.801 -0.380 17578 10230 1 18 . 1 1 118 118 VAL CA C 153 67.196 67.196 66.058 1.138 17578 10231 1 18 . 1 1 118 118 VAL CB C 153 31.600 31.600 31.166 0.434 17578 10232 1 18 . 1 1 118 118 VAL H H 153 8.665 8.665 7.827 0.838 17578 10233 1 18 . 1 1 119 119 GLN N N 154 118.232 118.232 118.755 -0.523 17578 10234 1 18 . 1 1 119 119 GLN HA H 154 3.982 3.982 4.032 -0.050 17578 10235 1 18 . 1 1 119 119 GLN CA C 154 59.651 59.651 58.349 1.302 17578 10236 1 18 . 1 1 119 119 GLN CB C 154 28.478 28.478 29.073 -0.595 17578 10237 1 18 . 1 1 119 119 GLN H H 154 8.950 8.950 8.063 0.887 17578 10238 1 18 . 1 1 120 120 ALA N N 155 120.568 120.568 122.312 -1.744 17578 10239 1 18 . 1 1 120 120 ALA HA H 155 4.223 4.223 4.217 0.006 17578 10240 1 18 . 1 1 120 120 ALA CA C 155 55.071 55.071 53.467 1.604 17578 10241 1 18 . 1 1 120 120 ALA CB C 155 17.952 17.952 19.337 -1.385 17578 10242 1 18 . 1 1 120 120 ALA H H 155 7.486 7.486 7.886 -0.400 17578 10243 1 19 . 1 1 2 2 LYS N N 37 124.035 124.035 123.101 0.934 17578 10244 1 19 . 1 1 2 2 LYS HA H 37 4.064 4.064 4.143 -0.079 17578 10245 1 19 . 1 1 2 2 LYS H H 37 7.786 7.786 8.653 -0.867 17578 10246 1 19 . 1 1 3 3 LYS HA H 38 4.026 4.026 4.246 -0.220 17578 10247 1 19 . 1 1 3 3 LYS C C 38 179.176 179.176 178.109 1.067 17578 10248 1 19 . 1 1 3 3 LYS CA C 38 59.781 59.781 57.915 1.866 17578 10249 1 19 . 1 1 3 3 LYS CB C 38 32.626 32.626 31.515 1.111 17578 10250 1 19 . 1 1 4 4 LEU N N 39 122.003 122.003 121.904 0.099 17578 10251 1 19 . 1 1 4 4 LEU HA H 39 4.159 4.159 3.973 0.186 17578 10252 1 19 . 1 1 4 4 LEU C C 39 178.232 178.232 178.542 -0.310 17578 10253 1 19 . 1 1 4 4 LEU CA C 39 57.470 57.470 58.642 -1.172 17578 10254 1 19 . 1 1 4 4 LEU CB C 39 40.343 40.343 41.560 -1.217 17578 10255 1 19 . 1 1 4 4 LEU H H 39 7.877 7.877 7.890 -0.013 17578 10256 1 19 . 1 1 5 5 ASN N N 40 118.692 118.692 115.995 2.697 17578 10257 1 19 . 1 1 5 5 ASN HA H 40 3.997 3.997 4.317 -0.320 17578 10258 1 19 . 1 1 5 5 ASN C C 40 176.054 176.054 177.141 -1.087 17578 10259 1 19 . 1 1 5 5 ASN CA C 40 57.622 57.622 56.391 1.232 17578 10260 1 19 . 1 1 5 5 ASN CB C 40 40.113 40.113 38.168 1.945 17578 10261 1 19 . 1 1 5 5 ASN H H 40 9.313 9.313 7.785 1.528 17578 10262 1 19 . 1 1 6 6 LYS N N 41 115.497 115.497 119.732 -4.235 17578 10263 1 19 . 1 1 6 6 LYS HA H 41 3.928 3.928 3.962 -0.034 17578 10264 1 19 . 1 1 6 6 LYS C C 41 179.133 179.133 179.041 0.092 17578 10265 1 19 . 1 1 6 6 LYS CA C 41 59.909 59.909 58.937 0.972 17578 10266 1 19 . 1 1 6 6 LYS CB C 41 32.256 32.256 31.796 0.460 17578 10267 1 19 . 1 1 6 6 LYS H H 41 7.230 7.230 7.626 -0.396 17578 10268 1 19 . 1 1 7 7 LYS N N 42 118.961 118.961 119.845 -0.884 17578 10269 1 19 . 1 1 7 7 LYS HA H 42 4.040 4.040 3.969 0.071 17578 10270 1 19 . 1 1 7 7 LYS C C 42 180.272 180.272 179.169 1.103 17578 10271 1 19 . 1 1 7 7 LYS CA C 42 59.988 59.988 59.423 0.565 17578 10272 1 19 . 1 1 7 7 LYS CB C 42 33.462 33.462 32.149 1.313 17578 10273 1 19 . 1 1 7 7 LYS H H 42 7.367 7.367 7.908 -0.541 17578 10274 1 19 . 1 1 8 8 VAL N N 43 122.400 122.400 120.191 2.209 17578 10275 1 19 . 1 1 8 8 VAL HA H 43 3.303 3.303 3.759 -0.456 17578 10276 1 19 . 1 1 8 8 VAL CA C 43 67.430 67.430 67.152 0.278 17578 10277 1 19 . 1 1 8 8 VAL CB C 43 31.374 31.374 31.724 -0.350 17578 10278 1 19 . 1 1 8 8 VAL H H 43 9.215 9.215 7.964 1.251 17578 10279 1 19 . 1 1 9 9 LEU N N 44 119.626 119.626 120.660 -1.034 17578 10280 1 19 . 1 1 9 9 LEU HA H 44 3.833 3.833 3.902 -0.069 17578 10281 1 19 . 1 1 9 9 LEU CA C 44 58.453 58.453 58.053 0.400 17578 10282 1 19 . 1 1 9 9 LEU CB C 44 41.171 41.171 41.507 -0.336 17578 10283 1 19 . 1 1 9 9 LEU H H 44 8.471 8.471 8.172 0.299 17578 10284 1 19 . 1 1 10 10 LYS N N 45 119.761 119.761 118.779 0.982 17578 10285 1 19 . 1 1 10 10 LYS HA H 45 4.026 4.026 3.950 0.076 17578 10286 1 19 . 1 1 10 10 LYS CA C 45 59.919 59.919 59.939 -0.020 17578 10287 1 19 . 1 1 10 10 LYS CB C 45 32.430 32.430 32.245 0.186 17578 10288 1 19 . 1 1 10 10 LYS H H 45 7.883 7.883 8.243 -0.360 17578 10289 1 19 . 1 1 11 11 THR N N 46 116.469 116.469 116.694 -0.225 17578 10290 1 19 . 1 1 11 11 THR HA H 46 4.339 4.339 3.586 0.753 17578 10291 1 19 . 1 1 11 11 THR C C 46 175.987 175.987 176.358 -0.371 17578 10292 1 19 . 1 1 11 11 THR CB C 46 68.013 68.013 67.881 0.132 17578 10293 1 19 . 1 1 11 11 THR H H 46 7.805 7.805 7.944 -0.139 17578 10294 1 19 . 1 1 12 12 VAL N N 47 121.907 121.907 121.851 0.056 17578 10295 1 19 . 1 1 12 12 VAL HA H 47 3.232 3.232 3.985 -0.753 17578 10296 1 19 . 1 1 12 12 VAL CA C 47 67.331 67.331 66.105 1.226 17578 10297 1 19 . 1 1 12 12 VAL CB C 47 31.438 31.438 31.776 -0.338 17578 10298 1 19 . 1 1 12 12 VAL H H 47 8.782 8.782 8.616 0.166 17578 10299 1 19 . 1 1 13 13 LYS N N 48 122.393 122.393 119.740 2.653 17578 10300 1 19 . 1 1 13 13 LYS HA H 48 4.258 4.258 4.060 0.198 17578 10301 1 19 . 1 1 13 13 LYS C C 48 179.808 179.808 178.943 0.865 17578 10302 1 19 . 1 1 13 13 LYS CA C 48 59.999 59.999 59.223 0.776 17578 10303 1 19 . 1 1 13 13 LYS CB C 48 32.553 32.553 32.020 0.534 17578 10304 1 19 . 1 1 13 13 LYS H H 48 8.171 8.171 8.048 0.123 17578 10305 1 19 . 1 1 14 14 LYS N N 49 118.852 118.852 118.682 0.170 17578 10306 1 19 . 1 1 14 14 LYS HA H 49 3.973 3.973 4.208 -0.235 17578 10307 1 19 . 1 1 14 14 LYS CA C 49 59.811 59.811 58.915 0.896 17578 10308 1 19 . 1 1 14 14 LYS CB C 49 33.389 33.389 32.593 0.796 17578 10309 1 19 . 1 1 14 14 LYS H H 49 7.941 7.941 7.988 -0.047 17578 10310 1 19 . 1 1 15 15 ALA N N 50 122.047 122.047 122.858 -0.811 17578 10311 1 19 . 1 1 15 15 ALA HA H 50 3.496 3.496 4.356 -0.860 17578 10312 1 19 . 1 1 15 15 ALA CA C 50 54.709 54.709 55.134 -0.425 17578 10313 1 19 . 1 1 15 15 ALA CB C 50 18.917 18.917 18.151 0.766 17578 10314 1 19 . 1 1 15 15 ALA H H 50 8.544 8.544 8.308 0.236 17578 10315 1 19 . 1 1 16 16 SER N N 51 116.561 116.561 114.274 2.287 17578 10316 1 19 . 1 1 16 16 SER HA H 51 4.730 4.730 4.200 0.530 17578 10317 1 19 . 1 1 16 16 SER C C 51 178.560 178.560 177.024 1.536 17578 10318 1 19 . 1 1 16 16 SER CA C 51 61.680 61.680 61.481 0.199 17578 10319 1 19 . 1 1 16 16 SER CB C 51 62.551 62.551 62.918 -0.367 17578 10320 1 19 . 1 1 16 16 SER H H 51 8.551 8.551 8.345 0.205 17578 10321 1 19 . 1 1 17 17 LYS N N 52 124.890 124.890 122.878 2.012 17578 10322 1 19 . 1 1 17 17 LYS HA H 52 4.072 4.072 4.133 -0.061 17578 10323 1 19 . 1 1 17 17 LYS C C 52 177.377 177.377 177.785 -0.408 17578 10324 1 19 . 1 1 17 17 LYS CA C 52 58.931 58.931 58.280 0.651 17578 10325 1 19 . 1 1 17 17 LYS CB C 52 31.961 31.961 31.995 -0.034 17578 10326 1 19 . 1 1 17 17 LYS H H 52 7.578 7.578 7.744 -0.166 17578 10327 1 19 . 1 1 18 18 ALA N N 53 118.628 118.628 118.399 0.229 17578 10328 1 19 . 1 1 18 18 ALA HA H 53 4.285 4.285 4.348 -0.063 17578 10329 1 19 . 1 1 18 18 ALA C C 53 175.061 175.061 176.612 -1.551 17578 10330 1 19 . 1 1 18 18 ALA CA C 53 51.822 51.822 51.689 0.133 17578 10331 1 19 . 1 1 18 18 ALA CB C 53 19.390 19.390 19.124 0.266 17578 10332 1 19 . 1 1 18 18 ALA H H 53 7.112 7.112 7.478 -0.366 17578 10333 1 19 . 1 1 19 19 LYS N N 54 111.984 111.984 116.386 -4.402 17578 10334 1 19 . 1 1 19 19 LYS HA H 54 4.026 4.026 4.007 0.019 17578 10335 1 19 . 1 1 19 19 LYS CA C 54 57.222 57.222 57.151 0.071 17578 10336 1 19 . 1 1 19 19 LYS CB C 54 28.387 28.387 30.447 -2.060 17578 10337 1 19 . 1 1 19 19 LYS H H 54 7.653 7.653 7.864 -0.211 17578 10338 1 19 . 1 1 20 20 ASN N N 55 116.088 116.088 113.748 2.340 17578 10339 1 19 . 1 1 20 20 ASN HA H 55 5.102 5.102 4.652 0.450 17578 10340 1 19 . 1 1 20 20 ASN C C 55 172.975 172.975 174.792 -1.817 17578 10341 1 19 . 1 1 20 20 ASN CA C 55 51.215 51.215 53.868 -2.653 17578 10342 1 19 . 1 1 20 20 ASN CB C 55 40.316 40.316 39.620 0.696 17578 10343 1 19 . 1 1 20 20 ASN H H 55 8.118 8.118 7.869 0.249 17578 10344 1 19 . 1 1 21 21 VAL N N 56 114.959 114.959 120.542 -5.583 17578 10345 1 19 . 1 1 21 21 VAL HA H 56 4.938 4.938 3.909 1.029 17578 10346 1 19 . 1 1 21 21 VAL C C 56 175.409 175.409 174.462 0.947 17578 10347 1 19 . 1 1 21 21 VAL CA C 56 60.901 60.901 61.364 -0.463 17578 10348 1 19 . 1 1 21 21 VAL CB C 56 35.368 35.368 33.462 1.906 17578 10349 1 19 . 1 1 21 21 VAL H H 56 7.628 7.628 7.630 -0.002 17578 10350 1 19 . 1 1 22 22 LYS N N 57 126.485 126.485 125.850 0.635 17578 10351 1 19 . 1 1 22 22 LYS HA H 57 4.712 4.712 4.552 0.160 17578 10352 1 19 . 1 1 22 22 LYS C C 57 175.394 175.394 174.465 0.929 17578 10353 1 19 . 1 1 22 22 LYS CA C 57 54.485 54.485 54.166 0.319 17578 10354 1 19 . 1 1 22 22 LYS CB C 57 33.669 33.669 36.306 -2.636 17578 10355 1 19 . 1 1 22 22 LYS H H 57 8.987 8.987 8.494 0.493 17578 10356 1 19 . 1 1 23 23 ARG N N 58 122.011 122.011 119.294 2.717 17578 10357 1 19 . 1 1 23 23 ARG HA H 58 4.837 4.837 5.119 -0.282 17578 10358 1 19 . 1 1 23 23 ARG C C 58 175.930 175.930 175.591 0.339 17578 10359 1 19 . 1 1 23 23 ARG CA C 58 55.872 55.872 55.212 0.660 17578 10360 1 19 . 1 1 23 23 ARG CB C 58 33.513 33.513 32.928 0.585 17578 10361 1 19 . 1 1 23 23 ARG H H 58 9.024 9.024 8.505 0.519 17578 10362 1 19 . 1 1 24 24 GLY N N 59 111.007 111.007 112.686 -1.679 17578 10363 1 19 . 1 1 24 24 GLY CA C 59 44.790 44.790 44.976 -0.186 17578 10364 1 19 . 1 1 24 24 GLY H H 59 8.315 8.315 9.013 -0.698 17578 10365 1 19 . 1 1 25 25 VAL N N 60 119.423 119.423 122.325 -2.902 17578 10366 1 19 . 1 1 25 25 VAL HA H 60 3.156 3.156 3.612 -0.456 17578 10367 1 19 . 1 1 25 25 VAL C C 60 176.562 176.562 176.928 -0.366 17578 10368 1 19 . 1 1 25 25 VAL CA C 60 68.037 68.037 65.499 2.538 17578 10369 1 19 . 1 1 25 25 VAL CB C 60 32.050 32.050 31.960 0.090 17578 10370 1 19 . 1 1 25 25 VAL H H 60 8.152 8.152 8.447 -0.295 17578 10371 1 19 . 1 1 26 26 LYS N N 61 117.316 117.316 117.716 -0.400 17578 10372 1 19 . 1 1 26 26 LYS HA H 61 3.919 3.919 4.006 -0.087 17578 10373 1 19 . 1 1 26 26 LYS C C 61 180.130 180.130 178.668 1.462 17578 10374 1 19 . 1 1 26 26 LYS CA C 61 60.157 60.157 59.684 0.473 17578 10375 1 19 . 1 1 26 26 LYS CB C 61 32.041 32.041 31.912 0.129 17578 10376 1 19 . 1 1 26 26 LYS H H 61 8.156 8.156 8.603 -0.447 17578 10377 1 19 . 1 1 27 27 GLU N N 62 117.535 117.535 119.514 -1.979 17578 10378 1 19 . 1 1 27 27 GLU HA H 62 3.961 3.961 4.162 -0.201 17578 10379 1 19 . 1 1 27 27 GLU CA C 62 58.787 58.787 59.062 -0.275 17578 10380 1 19 . 1 1 27 27 GLU CB C 62 29.843 29.843 29.360 0.482 17578 10381 1 19 . 1 1 27 27 GLU H H 62 8.531 8.531 7.785 0.746 17578 10382 1 19 . 1 1 28 28 VAL N N 63 120.589 120.589 117.615 2.974 17578 10383 1 19 . 1 1 28 28 VAL HA H 63 3.498 3.498 2.621 0.877 17578 10384 1 19 . 1 1 28 28 VAL CA C 63 68.099 68.099 65.501 2.598 17578 10385 1 19 . 1 1 28 28 VAL CB C 63 31.376 31.376 30.314 1.062 17578 10386 1 19 . 1 1 28 28 VAL H H 63 8.255 8.255 7.941 0.314 17578 10387 1 19 . 1 1 29 29 VAL N N 64 118.570 118.570 121.479 -2.909 17578 10388 1 19 . 1 1 29 29 VAL HA H 64 3.359 3.359 3.533 -0.174 17578 10389 1 19 . 1 1 29 29 VAL C C 64 177.549 177.549 178.136 -0.587 17578 10390 1 19 . 1 1 29 29 VAL CA C 64 67.456 67.456 66.897 0.560 17578 10391 1 19 . 1 1 29 29 VAL CB C 64 31.233 31.233 30.729 0.504 17578 10392 1 19 . 1 1 29 29 VAL H H 64 8.535 8.535 8.004 0.531 17578 10393 1 19 . 1 1 30 30 LYS N N 65 117.926 117.926 119.508 -1.582 17578 10394 1 19 . 1 1 30 30 LYS HA H 65 3.875 3.875 3.870 0.005 17578 10395 1 19 . 1 1 30 30 LYS CA C 65 59.811 59.811 59.574 0.237 17578 10396 1 19 . 1 1 30 30 LYS CB C 65 32.715 32.715 32.064 0.651 17578 10397 1 19 . 1 1 30 30 LYS H H 65 7.538 7.538 7.835 -0.297 17578 10398 1 19 . 1 1 31 31 ALA N N 66 120.475 120.475 122.522 -2.047 17578 10399 1 19 . 1 1 31 31 ALA HA H 66 4.071 4.071 4.067 0.004 17578 10400 1 19 . 1 1 31 31 ALA C C 66 179.596 179.596 179.478 0.118 17578 10401 1 19 . 1 1 31 31 ALA CA C 66 55.051 55.051 55.143 -0.092 17578 10402 1 19 . 1 1 31 31 ALA CB C 66 18.901 18.901 18.024 0.877 17578 10403 1 19 . 1 1 31 31 ALA H H 66 7.496 7.496 8.238 -0.742 17578 10404 1 19 . 1 1 32 32 LEU N N 67 119.357 119.357 120.056 -0.699 17578 10405 1 19 . 1 1 32 32 LEU HA H 67 3.854 3.854 3.881 -0.027 17578 10406 1 19 . 1 1 32 32 LEU CA C 67 57.859 57.859 57.737 0.122 17578 10407 1 19 . 1 1 32 32 LEU CB C 67 42.442 42.442 40.920 1.522 17578 10408 1 19 . 1 1 32 32 LEU H H 67 8.376 8.376 7.790 0.586 17578 10409 1 19 . 1 1 33 33 ARG N N 68 116.045 116.045 117.656 -1.611 17578 10410 1 19 . 1 1 33 33 ARG HA H 68 3.802 3.802 3.921 -0.119 17578 10411 1 19 . 1 1 33 33 ARG CA C 68 59.306 59.306 58.604 0.702 17578 10412 1 19 . 1 1 33 33 ARG CB C 68 29.759 29.759 30.101 -0.342 17578 10413 1 19 . 1 1 33 33 ARG H H 68 8.091 8.091 7.844 0.247 17578 10414 1 19 . 1 1 34 34 LYS N N 69 117.845 117.845 116.586 1.259 17578 10415 1 19 . 1 1 34 34 LYS HA H 69 4.255 4.255 4.317 -0.062 17578 10416 1 19 . 1 1 34 34 LYS C C 69 176.831 176.831 177.575 -0.744 17578 10417 1 19 . 1 1 34 34 LYS CA C 69 56.548 56.548 56.489 0.059 17578 10418 1 19 . 1 1 34 34 LYS CB C 69 32.710 32.710 33.425 -0.715 17578 10419 1 19 . 1 1 34 34 LYS H H 69 7.616 7.616 7.829 -0.213 17578 10420 1 19 . 1 1 35 35 GLY N N 70 106.783 106.783 106.514 0.269 17578 10421 1 19 . 1 1 35 35 GLY CA C 70 45.537 45.537 45.435 0.102 17578 10422 1 19 . 1 1 35 35 GLY H H 70 7.739 7.739 8.396 -0.657 17578 10423 1 19 . 1 1 36 36 GLU N N 71 119.424 119.424 118.824 0.600 17578 10424 1 19 . 1 1 36 36 GLU HA H 71 4.226 4.226 4.395 -0.169 17578 10425 1 19 . 1 1 36 36 GLU C C 71 175.400 175.400 176.416 -1.016 17578 10426 1 19 . 1 1 36 36 GLU CA C 71 57.414 57.414 55.612 1.802 17578 10427 1 19 . 1 1 36 36 GLU CB C 71 29.442 29.442 29.659 -0.217 17578 10428 1 19 . 1 1 36 36 GLU H H 71 7.698 7.698 7.910 -0.212 17578 10429 1 19 . 1 1 37 37 LYS N N 72 118.290 118.290 121.369 -3.079 17578 10430 1 19 . 1 1 37 37 LYS HA H 72 4.903 4.903 4.176 0.727 17578 10431 1 19 . 1 1 37 37 LYS C C 72 175.809 175.809 176.390 -0.581 17578 10432 1 19 . 1 1 37 37 LYS CA C 72 53.791 53.791 57.730 -3.939 17578 10433 1 19 . 1 1 37 37 LYS CB C 72 34.781 34.781 32.609 2.172 17578 10434 1 19 . 1 1 37 37 LYS H H 72 8.223 8.223 7.685 0.538 17578 10435 1 19 . 1 1 38 38 GLY N N 73 104.682 104.682 111.445 -6.763 17578 10436 1 19 . 1 1 38 38 GLY C C 73 171.884 171.884 173.575 -1.691 17578 10437 1 19 . 1 1 38 38 GLY CA C 73 46.360 46.360 45.048 1.312 17578 10438 1 19 . 1 1 38 38 GLY H H 73 7.217 7.217 8.269 -1.052 17578 10439 1 19 . 1 1 39 39 LEU N N 74 125.372 125.372 122.278 3.094 17578 10440 1 19 . 1 1 39 39 LEU HA H 74 4.994 4.994 4.843 0.151 17578 10441 1 19 . 1 1 39 39 LEU C C 74 174.380 174.380 176.032 -1.652 17578 10442 1 19 . 1 1 39 39 LEU CA C 74 54.363 54.363 53.400 0.963 17578 10443 1 19 . 1 1 39 39 LEU CB C 74 47.028 47.028 43.077 3.951 17578 10444 1 19 . 1 1 39 39 LEU H H 74 8.945 8.945 8.104 0.841 17578 10445 1 19 . 1 1 40 40 VAL N N 75 130.967 130.967 125.326 5.641 17578 10446 1 19 . 1 1 40 40 VAL HA H 75 4.644 4.644 4.172 0.472 17578 10447 1 19 . 1 1 40 40 VAL C C 75 173.667 173.667 174.343 -0.676 17578 10448 1 19 . 1 1 40 40 VAL CA C 75 62.273 62.273 62.516 -0.243 17578 10449 1 19 . 1 1 40 40 VAL CB C 75 32.591 32.591 32.609 -0.018 17578 10450 1 19 . 1 1 40 40 VAL H H 75 8.551 8.551 9.003 -0.452 17578 10451 1 19 . 1 1 41 41 VAL N N 76 127.493 127.493 127.599 -0.106 17578 10452 1 19 . 1 1 41 41 VAL HA H 76 4.660 4.660 4.295 0.365 17578 10453 1 19 . 1 1 41 41 VAL C C 76 173.669 173.669 174.816 -1.147 17578 10454 1 19 . 1 1 41 41 VAL CA C 76 60.899 60.899 61.103 -0.204 17578 10455 1 19 . 1 1 41 41 VAL CB C 76 33.346 33.346 32.471 0.875 17578 10456 1 19 . 1 1 41 41 VAL H H 76 8.804 8.804 9.001 -0.197 17578 10457 1 19 . 1 1 42 42 ILE N N 77 125.646 125.646 127.060 -1.414 17578 10458 1 19 . 1 1 42 42 ILE HA H 77 4.444 4.444 4.454 -0.010 17578 10459 1 19 . 1 1 42 42 ILE C C 77 174.817 174.817 174.606 0.211 17578 10460 1 19 . 1 1 42 42 ILE CA C 77 59.700 59.700 58.360 1.340 17578 10461 1 19 . 1 1 42 42 ILE CB C 77 39.977 39.977 39.475 0.502 17578 10462 1 19 . 1 1 42 42 ILE H H 77 8.613 8.613 8.556 0.057 17578 10463 1 19 . 1 1 43 43 ALA N N 78 128.691 128.691 128.946 -0.255 17578 10464 1 19 . 1 1 43 43 ALA HA H 78 4.459 4.459 5.446 -0.987 17578 10465 1 19 . 1 1 43 43 ALA C C 78 177.584 177.584 178.671 -1.087 17578 10466 1 19 . 1 1 43 43 ALA CA C 78 52.372 52.372 49.943 2.429 17578 10467 1 19 . 1 1 43 43 ALA CB C 78 19.504 19.504 19.718 -0.214 17578 10468 1 19 . 1 1 43 43 ALA H H 78 8.565 8.565 8.000 0.565 17578 10469 1 19 . 1 1 44 44 GLY N N 79 103.957 103.957 110.801 -6.844 17578 10470 1 19 . 1 1 44 44 GLY C C 79 173.252 173.252 175.235 -1.983 17578 10471 1 19 . 1 1 44 44 GLY CA C 79 45.764 45.764 46.618 -0.854 17578 10472 1 19 . 1 1 44 44 GLY H H 79 9.083 9.083 9.187 -0.104 17578 10473 1 19 . 1 1 45 45 ASP N N 80 118.632 118.632 120.867 -2.235 17578 10474 1 19 . 1 1 45 45 ASP HA H 80 4.918 4.918 4.879 0.039 17578 10475 1 19 . 1 1 45 45 ASP CA C 80 52.689 52.689 53.731 -1.042 17578 10476 1 19 . 1 1 45 45 ASP CB C 80 39.118 39.118 40.142 -1.024 17578 10477 1 19 . 1 1 45 45 ASP H H 80 8.695 8.695 8.507 0.188 17578 10478 1 19 . 1 1 46 46 ILE N N 81 117.935 117.935 120.056 -2.121 17578 10479 1 19 . 1 1 46 46 ILE HA H 81 4.179 4.179 4.195 -0.016 17578 10480 1 19 . 1 1 46 46 ILE C C 81 172.890 172.890 174.636 -1.746 17578 10481 1 19 . 1 1 46 46 ILE CA C 81 59.242 59.242 59.008 0.234 17578 10482 1 19 . 1 1 46 46 ILE CB C 81 39.253 39.253 40.885 -1.632 17578 10483 1 19 . 1 1 46 46 ILE H H 81 6.730 6.730 7.300 -0.570 17578 10484 1 19 . 1 1 47 47 TRP N N 82 123.585 123.585 124.502 -0.917 17578 10485 1 19 . 1 1 47 47 TRP HA H 82 4.587 4.587 5.287 -0.700 17578 10486 1 19 . 1 1 47 47 TRP CA C 82 55.386 55.386 53.813 1.573 17578 10487 1 19 . 1 1 47 47 TRP CB C 82 32.147 32.147 28.286 3.861 17578 10488 1 19 . 1 1 47 47 TRP H H 82 7.804 7.804 7.376 0.428 17578 10489 1 19 . 1 1 48 48 PRO HA H 83 4.248 4.248 4.687 -0.439 17578 10490 1 19 . 1 1 48 48 PRO CA C 83 62.712 62.712 62.556 0.157 17578 10491 1 19 . 1 1 48 48 PRO CB C 83 34.011 34.011 32.406 1.605 17578 10492 1 19 . 1 1 49 49 ALA N N 84 121.827 121.827 120.716 1.111 17578 10493 1 19 . 1 1 49 49 ALA HA H 84 3.969 3.969 4.334 -0.365 17578 10494 1 19 . 1 1 49 49 ALA CA C 84 54.183 54.183 52.808 1.375 17578 10495 1 19 . 1 1 49 49 ALA CB C 84 19.404 19.404 18.753 0.651 17578 10496 1 19 . 1 1 49 49 ALA H H 84 8.198 8.198 8.567 -0.369 17578 10497 1 19 . 1 1 50 50 ASP N N 85 114.049 114.049 120.463 -6.414 17578 10498 1 19 . 1 1 50 50 ASP HA H 85 4.301 4.301 4.368 -0.067 17578 10499 1 19 . 1 1 50 50 ASP C C 85 177.428 177.428 178.092 -0.664 17578 10500 1 19 . 1 1 50 50 ASP CA C 85 55.777 55.777 57.261 -1.484 17578 10501 1 19 . 1 1 50 50 ASP CB C 85 40.060 40.060 39.946 0.114 17578 10502 1 19 . 1 1 50 50 ASP H H 85 8.008 8.008 8.776 -0.768 17578 10503 1 19 . 1 1 51 51 VAL N N 86 116.790 116.790 116.540 0.250 17578 10504 1 19 . 1 1 51 51 VAL HA H 86 3.841 3.841 3.822 0.019 17578 10505 1 19 . 1 1 51 51 VAL C C 86 176.231 176.231 177.346 -1.115 17578 10506 1 19 . 1 1 51 51 VAL CA C 86 65.332 65.332 64.911 0.421 17578 10507 1 19 . 1 1 51 51 VAL CB C 86 32.123 32.123 30.688 1.435 17578 10508 1 19 . 1 1 51 51 VAL H H 86 7.542 7.542 7.404 0.138 17578 10509 1 19 . 1 1 52 52 ILE N N 87 107.529 107.529 120.040 -12.511 17578 10510 1 19 . 1 1 52 52 ILE HA H 87 4.638 4.638 3.777 0.861 17578 10511 1 19 . 1 1 52 52 ILE C C 87 178.026 178.026 177.489 0.537 17578 10512 1 19 . 1 1 52 52 ILE CA C 87 59.806 59.806 65.092 -5.286 17578 10513 1 19 . 1 1 52 52 ILE CB C 87 40.742 40.742 37.512 3.230 17578 10514 1 19 . 1 1 52 52 ILE H H 87 7.310 7.310 8.551 -1.241 17578 10515 1 19 . 1 1 53 53 SER N N 88 116.004 116.004 112.646 3.358 17578 10516 1 19 . 1 1 53 53 SER HA H 88 4.566 4.566 4.393 0.173 17578 10517 1 19 . 1 1 53 53 SER CA C 88 61.760 61.760 60.044 1.716 17578 10518 1 19 . 1 1 53 53 SER CB C 88 62.391 62.391 63.960 -1.569 17578 10519 1 19 . 1 1 53 53 SER H H 88 7.827 7.827 7.901 -0.074 17578 10520 1 19 . 1 1 54 54 HIS HA H 89 4.572 4.572 4.441 0.131 17578 10521 1 19 . 1 1 54 54 HIS CA C 89 56.789 56.789 59.050 -2.261 17578 10522 1 19 . 1 1 54 54 HIS CB C 89 30.527 30.527 30.213 0.314 17578 10523 1 19 . 1 1 55 55 ILE N N 90 120.579 120.579 120.856 -0.277 17578 10524 1 19 . 1 1 55 55 ILE HA H 90 3.512 3.512 3.346 0.166 17578 10525 1 19 . 1 1 55 55 ILE CA C 90 65.424 65.424 66.870 -1.446 17578 10526 1 19 . 1 1 55 55 ILE CB C 90 34.176 34.176 35.770 -1.595 17578 10527 1 19 . 1 1 55 55 ILE H H 90 7.764 7.764 8.168 -0.404 17578 10528 1 19 . 1 1 56 56 PRO HA H 91 2.942 2.942 4.197 -1.255 17578 10529 1 19 . 1 1 56 56 PRO C C 91 177.032 177.032 178.595 -1.563 17578 10530 1 19 . 1 1 56 56 PRO CA C 91 66.842 66.842 66.109 0.733 17578 10531 1 19 . 1 1 56 56 PRO CB C 91 31.206 31.206 31.035 0.171 17578 10532 1 19 . 1 1 57 57 VAL N N 92 114.379 114.379 118.624 -4.245 17578 10533 1 19 . 1 1 57 57 VAL HA H 92 3.574 3.574 3.648 -0.074 17578 10534 1 19 . 1 1 57 57 VAL CA C 92 65.900 65.900 66.047 -0.147 17578 10535 1 19 . 1 1 57 57 VAL CB C 92 31.600 31.600 31.757 -0.157 17578 10536 1 19 . 1 1 57 57 VAL H H 92 6.497 6.497 7.592 -1.095 17578 10537 1 19 . 1 1 58 58 LEU N N 93 120.522 120.522 117.963 2.559 17578 10538 1 19 . 1 1 58 58 LEU HA H 93 4.227 4.227 3.930 0.297 17578 10539 1 19 . 1 1 58 58 LEU C C 93 180.251 180.251 178.380 1.871 17578 10540 1 19 . 1 1 58 58 LEU CA C 93 57.838 57.838 57.310 0.528 17578 10541 1 19 . 1 1 58 58 LEU CB C 93 43.172 43.172 40.928 2.244 17578 10542 1 19 . 1 1 58 58 LEU H H 93 7.460 7.460 7.649 -0.189 17578 10543 1 19 . 1 1 59 59 CYS N N 94 117.195 117.195 120.276 -3.081 17578 10544 1 19 . 1 1 59 59 CYS HA H 94 3.867 3.867 4.327 -0.460 17578 10545 1 19 . 1 1 59 59 CYS C C 94 176.362 176.362 176.795 -0.433 17578 10546 1 19 . 1 1 59 59 CYS CA C 94 65.379 65.379 62.513 2.866 17578 10547 1 19 . 1 1 59 59 CYS CB C 94 26.344 26.344 27.633 -1.289 17578 10548 1 19 . 1 1 59 59 CYS H H 94 8.335 8.335 7.894 0.441 17578 10549 1 19 . 1 1 60 60 GLU N N 95 120.777 120.777 118.482 2.295 17578 10550 1 19 . 1 1 60 60 GLU HA H 95 4.209 4.209 4.088 0.121 17578 10551 1 19 . 1 1 60 60 GLU CA C 95 59.760 59.760 58.521 1.239 17578 10552 1 19 . 1 1 60 60 GLU CB C 95 29.201 29.201 29.708 -0.507 17578 10553 1 19 . 1 1 60 60 GLU H H 95 8.235 8.235 8.284 -0.049 17578 10554 1 19 . 1 1 61 61 ASP N N 96 120.910 120.910 118.289 2.621 17578 10555 1 19 . 1 1 61 61 ASP HA H 96 4.292 4.292 4.402 -0.110 17578 10556 1 19 . 1 1 61 61 ASP C C 96 177.890 177.890 177.548 0.342 17578 10557 1 19 . 1 1 61 61 ASP CA C 96 57.235 57.235 56.042 1.193 17578 10558 1 19 . 1 1 61 61 ASP CB C 96 40.580 40.580 40.979 -0.399 17578 10559 1 19 . 1 1 61 61 ASP H H 96 8.509 8.509 7.580 0.929 17578 10560 1 19 . 1 1 62 62 HIS N N 97 115.923 115.923 114.553 1.370 17578 10561 1 19 . 1 1 62 62 HIS HA H 97 4.495 4.495 4.834 -0.339 17578 10562 1 19 . 1 1 62 62 HIS C C 97 173.548 173.548 175.103 -1.555 17578 10563 1 19 . 1 1 62 62 HIS CA C 97 57.290 57.290 55.906 1.384 17578 10564 1 19 . 1 1 62 62 HIS CB C 97 29.997 29.997 31.964 -1.967 17578 10565 1 19 . 1 1 62 62 HIS H H 97 7.635 7.635 7.619 0.016 17578 10566 1 19 . 1 1 63 63 SER N N 98 114.634 114.634 115.766 -1.132 17578 10567 1 19 . 1 1 63 63 SER HA H 98 4.489 4.489 4.086 0.403 17578 10568 1 19 . 1 1 63 63 SER C C 98 173.949 173.949 172.203 1.746 17578 10569 1 19 . 1 1 63 63 SER CA C 98 58.842 58.842 59.256 -0.414 17578 10570 1 19 . 1 1 63 63 SER CB C 98 61.396 61.396 62.474 -1.078 17578 10571 1 19 . 1 1 63 63 SER H H 98 7.888 7.888 8.300 -0.412 17578 10572 1 19 . 1 1 64 64 VAL N N 99 123.090 123.090 123.779 -0.689 17578 10573 1 19 . 1 1 64 64 VAL HA H 99 4.721 4.721 4.296 0.425 17578 10574 1 19 . 1 1 64 64 VAL CA C 99 58.978 58.978 58.908 0.070 17578 10575 1 19 . 1 1 64 64 VAL CB C 99 35.228 35.228 35.639 -0.411 17578 10576 1 19 . 1 1 64 64 VAL H H 99 8.590 8.590 7.537 1.053 17578 10577 1 19 . 1 1 65 65 PRO HA H 100 4.263 4.263 4.278 -0.015 17578 10578 1 19 . 1 1 65 65 PRO C C 100 173.191 173.191 175.304 -2.113 17578 10579 1 19 . 1 1 65 65 PRO CA C 100 63.427 63.427 62.693 0.734 17578 10580 1 19 . 1 1 65 65 PRO CB C 100 31.863 31.863 31.244 0.620 17578 10581 1 19 . 1 1 66 66 TYR N N 101 114.702 114.702 122.574 -7.872 17578 10582 1 19 . 1 1 66 66 TYR HA H 101 5.925 5.925 5.273 0.652 17578 10583 1 19 . 1 1 66 66 TYR CA C 101 53.501 53.501 56.296 -2.795 17578 10584 1 19 . 1 1 66 66 TYR CB C 101 41.793 41.793 41.374 0.419 17578 10585 1 19 . 1 1 66 66 TYR H H 101 6.243 6.243 7.550 -1.307 17578 10586 1 19 . 1 1 67 67 ILE N N 102 111.885 111.885 118.480 -6.595 17578 10587 1 19 . 1 1 67 67 ILE HA H 102 4.502 4.502 4.386 0.116 17578 10588 1 19 . 1 1 67 67 ILE C C 102 172.358 172.358 174.420 -2.062 17578 10589 1 19 . 1 1 67 67 ILE CA C 102 55.442 55.442 60.413 -4.971 17578 10590 1 19 . 1 1 67 67 ILE CB C 102 43.124 43.124 42.366 0.758 17578 10591 1 19 . 1 1 67 67 ILE H H 102 7.986 7.986 8.396 -0.410 17578 10592 1 19 . 1 1 68 68 PHE N N 103 122.274 122.274 126.295 -4.021 17578 10593 1 19 . 1 1 68 68 PHE HA H 103 5.087 5.087 4.950 0.137 17578 10594 1 19 . 1 1 68 68 PHE C C 103 176.173 176.173 175.637 0.536 17578 10595 1 19 . 1 1 68 68 PHE CA C 103 56.103 56.103 57.571 -1.468 17578 10596 1 19 . 1 1 68 68 PHE CB C 103 39.891 39.891 39.890 0.001 17578 10597 1 19 . 1 1 68 68 PHE H H 103 8.108 8.108 8.676 -0.568 17578 10598 1 19 . 1 1 69 69 ILE N N 104 114.613 114.613 119.360 -4.747 17578 10599 1 19 . 1 1 69 69 ILE HA H 104 4.927 4.927 4.904 0.023 17578 10600 1 19 . 1 1 69 69 ILE CA C 104 57.831 57.831 58.050 -0.219 17578 10601 1 19 . 1 1 69 69 ILE CB C 104 38.302 38.302 39.712 -1.410 17578 10602 1 19 . 1 1 69 69 ILE H H 104 8.843 8.843 8.630 0.213 17578 10603 1 19 . 1 1 70 70 PRO HA H 105 4.093 4.093 4.701 -0.608 17578 10604 1 19 . 1 1 70 70 PRO CA C 105 66.439 66.439 63.029 3.410 17578 10605 1 19 . 1 1 70 70 PRO CB C 105 32.879 32.879 32.364 0.515 17578 10606 1 19 . 1 1 71 71 SER N N 106 106.896 106.896 111.338 -4.442 17578 10607 1 19 . 1 1 71 71 SER HA H 106 5.227 5.227 4.585 0.642 17578 10608 1 19 . 1 1 71 71 SER CA C 106 55.373 55.373 59.800 -4.427 17578 10609 1 19 . 1 1 71 71 SER CB C 106 64.696 64.696 63.928 0.767 17578 10610 1 19 . 1 1 71 71 SER H H 106 7.548 7.548 8.215 -0.667 17578 10611 1 19 . 1 1 72 72 LYS N N 107 119.881 119.881 121.254 -1.373 17578 10612 1 19 . 1 1 72 72 LYS HA H 107 4.191 4.191 3.876 0.315 17578 10613 1 19 . 1 1 72 72 LYS CA C 107 58.623 58.623 59.718 -1.095 17578 10614 1 19 . 1 1 72 72 LYS CB C 107 30.957 30.957 31.685 -0.728 17578 10615 1 19 . 1 1 72 72 LYS H H 107 8.328 8.328 8.518 -0.190 17578 10616 1 19 . 1 1 73 73 GLN N N 108 123.720 123.720 118.865 4.855 17578 10617 1 19 . 1 1 73 73 GLN HA H 108 4.013 4.013 4.194 -0.181 17578 10618 1 19 . 1 1 73 73 GLN CA C 108 58.621 58.621 58.844 -0.223 17578 10619 1 19 . 1 1 73 73 GLN CB C 108 28.331 28.331 27.903 0.428 17578 10620 1 19 . 1 1 73 73 GLN H H 108 8.543 8.543 8.257 0.286 17578 10621 1 19 . 1 1 74 74 ASP N N 109 121.068 121.068 119.278 1.790 17578 10622 1 19 . 1 1 74 74 ASP HA H 109 4.353 4.353 4.360 -0.007 17578 10623 1 19 . 1 1 74 74 ASP CA C 109 56.941 56.941 57.672 -0.730 17578 10624 1 19 . 1 1 74 74 ASP CB C 109 40.403 40.403 40.448 -0.045 17578 10625 1 19 . 1 1 74 74 ASP H H 109 7.998 7.998 8.710 -0.712 17578 10626 1 19 . 1 1 75 75 LEU N N 110 120.670 120.670 119.862 0.808 17578 10627 1 19 . 1 1 75 75 LEU HA H 110 3.967 3.967 4.139 -0.172 17578 10628 1 19 . 1 1 75 75 LEU C C 110 178.753 178.753 179.239 -0.486 17578 10629 1 19 . 1 1 75 75 LEU CA C 110 57.080 57.080 56.868 0.212 17578 10630 1 19 . 1 1 75 75 LEU CB C 110 41.235 41.235 41.879 -0.644 17578 10631 1 19 . 1 1 75 75 LEU H H 110 7.999 7.999 7.768 0.231 17578 10632 1 19 . 1 1 76 76 GLY N N 111 105.512 105.512 107.606 -2.094 17578 10633 1 19 . 1 1 76 76 GLY C C 111 175.517 175.517 175.187 0.330 17578 10634 1 19 . 1 1 76 76 GLY CA C 111 46.745 46.745 47.378 -0.633 17578 10635 1 19 . 1 1 76 76 GLY H H 111 8.012 8.012 7.980 0.032 17578 10636 1 19 . 1 1 77 77 ALA N N 112 122.891 122.891 123.182 -0.291 17578 10637 1 19 . 1 1 77 77 ALA HA H 112 4.180 4.180 4.308 -0.128 17578 10638 1 19 . 1 1 77 77 ALA CA C 112 53.652 53.652 53.763 -0.111 17578 10639 1 19 . 1 1 77 77 ALA CB C 112 18.482 18.482 18.936 -0.454 17578 10640 1 19 . 1 1 77 77 ALA H H 112 7.785 7.785 8.101 -0.316 17578 10641 1 19 . 1 1 78 78 ALA N N 113 121.205 121.205 120.085 1.120 17578 10642 1 19 . 1 1 78 78 ALA HA H 113 4.213 4.213 4.117 0.096 17578 10643 1 19 . 1 1 78 78 ALA CA C 113 53.503 53.503 54.293 -0.790 17578 10644 1 19 . 1 1 78 78 ALA CB C 113 18.897 18.897 18.913 -0.016 17578 10645 1 19 . 1 1 78 78 ALA H H 113 7.787 7.787 7.969 -0.182 17578 10646 1 19 . 1 1 79 79 GLY N N 114 104.082 104.082 104.137 -0.055 17578 10647 1 19 . 1 1 79 79 GLY CA C 114 44.764 44.764 44.685 0.079 17578 10648 1 19 . 1 1 79 79 GLY H H 114 7.756 7.756 8.143 -0.387 17578 10649 1 19 . 1 1 80 80 ALA HA H 115 4.061 4.061 4.417 -0.356 17578 10650 1 19 . 1 1 80 80 ALA CA C 115 53.192 53.192 51.553 1.639 17578 10651 1 19 . 1 1 80 80 ALA CB C 115 19.493 19.493 19.707 -0.214 17578 10652 1 19 . 1 1 81 81 THR N N 116 116.258 116.258 113.517 2.741 17578 10653 1 19 . 1 1 81 81 THR CA C 116 57.223 57.223 62.132 -4.909 17578 10654 1 19 . 1 1 81 81 THR CB C 116 64.784 64.784 69.256 -4.472 17578 10655 1 19 . 1 1 81 81 THR H H 116 8.121 8.121 8.289 -0.168 17578 10656 1 19 . 1 1 83 83 ARG N N 118 122.269 122.269 119.180 3.089 17578 10657 1 19 . 1 1 83 83 ARG H H 118 8.128 8.128 8.306 -0.178 17578 10658 1 19 . 1 1 85 85 THR N N 120 120.171 120.171 117.632 2.539 17578 10659 1 19 . 1 1 85 85 THR C C 120 172.729 172.729 173.765 -1.036 17578 10660 1 19 . 1 1 85 85 THR H H 120 8.127 8.127 8.049 0.078 17578 10661 1 19 . 1 1 86 86 SER N N 121 115.808 115.808 115.318 0.490 17578 10662 1 19 . 1 1 86 86 SER HA H 121 4.280 4.280 4.466 -0.186 17578 10663 1 19 . 1 1 86 86 SER CA C 121 59.573 59.573 58.597 0.976 17578 10664 1 19 . 1 1 86 86 SER CB C 121 64.384 64.384 63.726 0.658 17578 10665 1 19 . 1 1 86 86 SER H H 121 7.045 7.045 8.226 -1.181 17578 10666 1 19 . 1 1 87 87 VAL N N 122 115.790 115.790 119.154 -3.364 17578 10667 1 19 . 1 1 87 87 VAL HA H 122 5.203 5.203 4.685 0.518 17578 10668 1 19 . 1 1 87 87 VAL CA C 122 59.412 59.412 60.602 -1.190 17578 10669 1 19 . 1 1 87 87 VAL CB C 122 32.729 32.729 32.360 0.369 17578 10670 1 19 . 1 1 87 87 VAL H H 122 7.082 7.082 7.729 -0.647 17578 10671 1 19 . 1 1 88 88 VAL N N 123 119.313 119.313 122.158 -2.845 17578 10672 1 19 . 1 1 88 88 VAL HA H 123 5.097 5.097 5.142 -0.045 17578 10673 1 19 . 1 1 88 88 VAL C C 123 172.990 172.990 173.803 -0.813 17578 10674 1 19 . 1 1 88 88 VAL CA C 123 58.925 58.925 60.083 -1.157 17578 10675 1 19 . 1 1 88 88 VAL CB C 123 35.929 35.929 35.545 0.384 17578 10676 1 19 . 1 1 88 88 VAL H H 123 8.948 8.948 8.498 0.450 17578 10677 1 19 . 1 1 89 89 PHE N N 124 122.616 122.616 123.595 -0.979 17578 10678 1 19 . 1 1 89 89 PHE HA H 124 5.641 5.641 5.491 0.150 17578 10679 1 19 . 1 1 89 89 PHE C C 124 174.686 174.686 173.260 1.426 17578 10680 1 19 . 1 1 89 89 PHE CA C 124 52.579 52.579 54.631 -2.052 17578 10681 1 19 . 1 1 89 89 PHE CB C 124 42.392 42.392 42.636 -0.244 17578 10682 1 19 . 1 1 89 89 PHE H H 124 9.065 9.065 8.961 0.104 17578 10683 1 19 . 1 1 90 90 ILE N N 125 127.599 127.599 121.648 5.951 17578 10684 1 19 . 1 1 90 90 ILE HA H 125 4.268 4.268 3.783 0.485 17578 10685 1 19 . 1 1 90 90 ILE C C 125 173.652 173.652 174.636 -0.984 17578 10686 1 19 . 1 1 90 90 ILE CA C 125 61.605 61.605 60.461 1.144 17578 10687 1 19 . 1 1 90 90 ILE CB C 125 39.533 39.533 38.298 1.235 17578 10688 1 19 . 1 1 90 90 ILE H H 125 9.498 9.498 8.806 0.692 17578 10689 1 19 . 1 1 91 91 VAL N N 126 126.693 126.693 125.856 0.837 17578 10690 1 19 . 1 1 91 91 VAL HA H 126 4.595 4.595 4.548 0.047 17578 10691 1 19 . 1 1 91 91 VAL CA C 126 58.380 58.380 58.235 0.145 17578 10692 1 19 . 1 1 91 91 VAL CB C 126 32.597 32.597 32.742 -0.145 17578 10693 1 19 . 1 1 91 91 VAL H H 126 8.169 8.169 7.999 0.170 17578 10694 1 19 . 1 1 92 92 PRO HA H 127 4.044 4.044 4.499 -0.455 17578 10695 1 19 . 1 1 92 92 PRO CA C 127 63.380 63.380 63.250 0.130 17578 10696 1 19 . 1 1 92 92 PRO CB C 127 31.735 31.735 32.815 -1.080 17578 10697 1 19 . 1 1 93 93 GLY N N 128 108.589 108.589 107.208 1.381 17578 10698 1 19 . 1 1 93 93 GLY CA C 128 45.443 45.443 45.087 0.356 17578 10699 1 19 . 1 1 93 93 GLY H H 128 8.022 8.022 8.695 -0.673 17578 10700 1 19 . 1 1 94 94 SER N N 129 113.115 113.115 115.116 -2.001 17578 10701 1 19 . 1 1 94 94 SER H H 129 7.992 7.992 7.555 0.437 17578 10702 1 19 . 1 1 95 95 ASN N N 130 120.738 120.738 124.962 -4.224 17578 10703 1 19 . 1 1 95 95 ASN C C 130 178.419 178.419 176.575 1.844 17578 10704 1 19 . 1 1 95 95 ASN CA C 130 57.337 57.337 56.073 1.264 17578 10705 1 19 . 1 1 95 95 ASN CB C 130 41.958 41.958 38.391 3.567 17578 10706 1 19 . 1 1 95 95 ASN H H 130 8.313 8.313 9.013 -0.700 17578 10707 1 19 . 1 1 96 96 LYS N N 131 119.159 119.159 119.844 -0.685 17578 10708 1 19 . 1 1 96 96 LYS HA H 131 4.021 4.021 4.274 -0.253 17578 10709 1 19 . 1 1 96 96 LYS CA C 131 58.749 58.749 57.550 1.199 17578 10710 1 19 . 1 1 96 96 LYS CB C 131 29.565 29.565 32.436 -2.871 17578 10711 1 19 . 1 1 96 96 LYS H H 131 7.881 7.881 8.293 -0.412 17578 10712 1 19 . 1 1 97 97 LYS N N 132 117.399 117.399 120.511 -3.112 17578 10713 1 19 . 1 1 97 97 LYS CA C 132 58.413 58.413 58.334 0.079 17578 10714 1 19 . 1 1 97 97 LYS CB C 132 30.694 30.694 31.789 -1.095 17578 10715 1 19 . 1 1 97 97 LYS H H 132 7.765 7.765 7.269 0.496 17578 10716 1 19 . 1 1 98 98 LYS N N 133 119.160 119.160 118.442 0.718 17578 10717 1 19 . 1 1 98 98 LYS CA C 133 58.266 58.266 58.924 -0.658 17578 10718 1 19 . 1 1 98 98 LYS CB C 133 30.981 30.981 32.352 -1.371 17578 10719 1 19 . 1 1 98 98 LYS H H 133 8.070 8.070 7.604 0.466 17578 10720 1 19 . 1 1 99 99 ASP N N 134 120.602 120.602 118.030 2.572 17578 10721 1 19 . 1 1 99 99 ASP CA C 134 55.586 55.586 53.872 1.714 17578 10722 1 19 . 1 1 99 99 ASP CB C 134 41.898 41.898 41.422 0.476 17578 10723 1 19 . 1 1 99 99 ASP H H 134 8.255 8.255 7.697 0.558 17578 10724 1 19 . 1 1 100 100 GLY N N 135 108.785 108.785 108.295 0.490 17578 10725 1 19 . 1 1 100 100 GLY CA C 135 45.536 45.536 44.813 0.723 17578 10726 1 19 . 1 1 100 100 GLY H H 135 8.451 8.451 7.698 0.753 17578 10727 1 19 . 1 1 101 101 LYS N N 136 120.171 120.171 122.075 -1.904 17578 10728 1 19 . 1 1 101 101 LYS H H 136 8.127 8.127 8.431 -0.304 17578 10729 1 19 . 1 1 102 102 ASN N N 137 118.588 118.588 120.054 -1.466 17578 10730 1 19 . 1 1 102 102 ASN H H 137 8.481 8.481 8.133 0.348 17578 10731 1 19 . 1 1 103 103 LYS N N 138 121.739 121.739 120.646 1.093 17578 10732 1 19 . 1 1 103 103 LYS HA H 138 4.241 4.241 3.899 0.342 17578 10733 1 19 . 1 1 103 103 LYS CA C 138 56.760 56.760 58.550 -1.790 17578 10734 1 19 . 1 1 103 103 LYS CB C 138 32.691 32.691 31.599 1.092 17578 10735 1 19 . 1 1 103 103 LYS H H 138 8.318 8.318 8.464 -0.146 17578 10736 1 19 . 1 1 104 104 GLU N N 139 120.980 120.980 118.580 2.400 17578 10737 1 19 . 1 1 104 104 GLU CA C 139 57.235 57.235 59.181 -1.946 17578 10738 1 19 . 1 1 104 104 GLU CB C 139 29.893 29.893 29.032 0.861 17578 10739 1 19 . 1 1 104 104 GLU H H 139 8.478 8.478 8.573 -0.095 17578 10740 1 19 . 1 1 107 107 TYR N N 142 119.214 119.214 119.070 0.144 17578 10741 1 19 . 1 1 107 107 TYR HA H 142 5.023 5.023 3.904 1.119 17578 10742 1 19 . 1 1 107 107 TYR C C 142 175.419 175.419 178.178 -2.759 17578 10743 1 19 . 1 1 107 107 TYR CA C 142 57.200 57.200 60.493 -3.293 17578 10744 1 19 . 1 1 107 107 TYR CB C 142 39.165 39.165 37.769 1.396 17578 10745 1 19 . 1 1 107 107 TYR H H 142 7.992 7.992 8.622 -0.630 17578 10746 1 19 . 1 1 108 108 LYS N N 143 123.500 123.500 118.800 4.700 17578 10747 1 19 . 1 1 108 108 LYS HA H 143 3.628 3.628 4.149 -0.521 17578 10748 1 19 . 1 1 108 108 LYS CA C 143 59.619 59.619 59.062 0.557 17578 10749 1 19 . 1 1 108 108 LYS CB C 143 31.869 31.869 32.068 -0.199 17578 10750 1 19 . 1 1 108 108 LYS H H 143 7.377 7.377 8.037 -0.660 17578 10751 1 19 . 1 1 109 109 GLU N N 144 118.669 118.669 119.399 -0.730 17578 10752 1 19 . 1 1 109 109 GLU HA H 144 4.735 4.735 3.967 0.768 17578 10753 1 19 . 1 1 109 109 GLU CA C 144 59.865 59.865 59.523 0.342 17578 10754 1 19 . 1 1 109 109 GLU CB C 144 29.004 29.004 29.242 -0.238 17578 10755 1 19 . 1 1 109 109 GLU H H 144 8.583 8.583 8.178 0.405 17578 10756 1 19 . 1 1 110 110 SER N N 145 116.081 116.081 115.299 0.782 17578 10757 1 19 . 1 1 110 110 SER HA H 145 4.448 4.448 4.121 0.327 17578 10758 1 19 . 1 1 110 110 SER CB C 145 64.178 64.178 62.911 1.267 17578 10759 1 19 . 1 1 110 110 SER H H 145 8.117 8.117 7.909 0.208 17578 10760 1 19 . 1 1 111 111 PHE N N 146 122.134 122.134 123.105 -0.971 17578 10761 1 19 . 1 1 111 111 PHE HA H 146 4.022 4.022 4.170 -0.148 17578 10762 1 19 . 1 1 111 111 PHE C C 146 175.751 175.751 177.711 -1.960 17578 10763 1 19 . 1 1 111 111 PHE CA C 146 62.159 62.159 60.349 1.810 17578 10764 1 19 . 1 1 111 111 PHE CB C 146 39.533 39.533 37.965 1.568 17578 10765 1 19 . 1 1 111 111 PHE H H 146 8.553 8.553 7.697 0.856 17578 10766 1 19 . 1 1 112 112 ASN N N 147 117.856 117.856 117.537 0.319 17578 10767 1 19 . 1 1 112 112 ASN HA H 147 4.269 4.269 4.389 -0.120 17578 10768 1 19 . 1 1 112 112 ASN CA C 147 55.881 55.881 56.740 -0.859 17578 10769 1 19 . 1 1 112 112 ASN CB C 147 37.663 37.663 38.407 -0.744 17578 10770 1 19 . 1 1 112 112 ASN H H 147 8.809 8.809 8.626 0.183 17578 10771 1 19 . 1 1 113 113 GLU N N 148 119.708 119.708 120.680 -0.972 17578 10772 1 19 . 1 1 113 113 GLU HA H 148 4.021 4.021 4.024 -0.003 17578 10773 1 19 . 1 1 113 113 GLU CA C 148 59.385 59.385 59.419 -0.034 17578 10774 1 19 . 1 1 113 113 GLU CB C 148 29.784 29.784 29.532 0.252 17578 10775 1 19 . 1 1 113 113 GLU H H 148 7.778 7.778 7.963 -0.185 17578 10776 1 19 . 1 1 114 114 VAL N N 149 119.680 119.680 119.374 0.306 17578 10777 1 19 . 1 1 114 114 VAL HA H 149 3.556 3.556 3.673 -0.117 17578 10778 1 19 . 1 1 114 114 VAL CA C 149 66.625 66.625 67.660 -1.035 17578 10779 1 19 . 1 1 114 114 VAL CB C 149 31.368 31.368 31.808 -0.441 17578 10780 1 19 . 1 1 114 114 VAL H H 149 8.023 8.023 8.208 -0.185 17578 10781 1 19 . 1 1 115 115 VAL N N 150 119.684 119.684 116.725 2.959 17578 10782 1 19 . 1 1 115 115 VAL HA H 150 3.163 3.163 3.764 -0.601 17578 10783 1 19 . 1 1 115 115 VAL C C 150 177.270 177.270 178.053 -0.783 17578 10784 1 19 . 1 1 115 115 VAL CA C 150 67.984 67.984 65.273 2.711 17578 10785 1 19 . 1 1 115 115 VAL CB C 150 30.848 30.848 30.545 0.303 17578 10786 1 19 . 1 1 115 115 VAL H H 150 8.480 8.480 8.056 0.424 17578 10787 1 19 . 1 1 116 116 LYS N N 151 118.648 118.648 120.752 -2.104 17578 10788 1 19 . 1 1 116 116 LYS HA H 151 4.027 4.027 4.078 -0.051 17578 10789 1 19 . 1 1 116 116 LYS CA C 151 59.691 59.691 59.229 0.462 17578 10790 1 19 . 1 1 116 116 LYS CB C 151 32.346 32.346 31.993 0.353 17578 10791 1 19 . 1 1 116 116 LYS H H 151 7.584 7.584 8.108 -0.524 17578 10792 1 19 . 1 1 117 117 GLU N N 152 120.177 120.177 120.555 -0.378 17578 10793 1 19 . 1 1 117 117 GLU HA H 152 4.046 4.046 4.029 0.017 17578 10794 1 19 . 1 1 117 117 GLU CA C 152 59.932 59.932 59.620 0.312 17578 10795 1 19 . 1 1 117 117 GLU CB C 152 29.663 29.663 29.864 -0.201 17578 10796 1 19 . 1 1 117 117 GLU H H 152 7.528 7.528 7.862 -0.334 17578 10797 1 19 . 1 1 118 118 VAL N N 153 120.413 120.413 120.110 0.303 17578 10798 1 19 . 1 1 118 118 VAL HA H 153 3.421 3.421 3.764 -0.343 17578 10799 1 19 . 1 1 118 118 VAL CA C 153 67.196 67.196 66.050 1.146 17578 10800 1 19 . 1 1 118 118 VAL CB C 153 31.600 31.600 32.150 -0.550 17578 10801 1 19 . 1 1 118 118 VAL H H 153 8.665 8.665 8.056 0.609 17578 10802 1 19 . 1 1 119 119 GLN N N 154 118.232 118.232 119.299 -1.067 17578 10803 1 19 . 1 1 119 119 GLN HA H 154 3.982 3.982 4.271 -0.289 17578 10804 1 19 . 1 1 119 119 GLN CA C 154 59.651 59.651 57.252 2.400 17578 10805 1 19 . 1 1 119 119 GLN CB C 154 28.478 28.478 28.779 -0.301 17578 10806 1 19 . 1 1 119 119 GLN H H 154 8.950 8.950 8.030 0.920 17578 10807 1 19 . 1 1 120 120 ALA N N 155 120.568 120.568 121.138 -0.570 17578 10808 1 19 . 1 1 120 120 ALA HA H 155 4.223 4.223 4.271 -0.048 17578 10809 1 19 . 1 1 120 120 ALA CA C 155 55.071 55.071 52.511 2.559 17578 10810 1 19 . 1 1 120 120 ALA CB C 155 17.952 17.952 19.817 -1.865 17578 10811 1 19 . 1 1 120 120 ALA H H 155 7.486 7.486 7.781 -0.295 17578 10812 1 20 . 1 1 2 2 LYS N N 37 124.035 124.035 122.685 1.350 17578 10813 1 20 . 1 1 2 2 LYS HA H 37 4.064 4.064 4.028 0.036 17578 10814 1 20 . 1 1 2 2 LYS H H 37 7.786 7.786 8.737 -0.951 17578 10815 1 20 . 1 1 3 3 LYS HA H 38 4.026 4.026 4.078 -0.052 17578 10816 1 20 . 1 1 3 3 LYS C C 38 179.176 179.176 178.714 0.462 17578 10817 1 20 . 1 1 3 3 LYS CA C 38 59.781 59.781 58.844 0.937 17578 10818 1 20 . 1 1 3 3 LYS CB C 38 32.626 32.626 31.811 0.816 17578 10819 1 20 . 1 1 4 4 LEU N N 39 122.003 122.003 120.087 1.916 17578 10820 1 20 . 1 1 4 4 LEU HA H 39 4.159 4.159 3.984 0.175 17578 10821 1 20 . 1 1 4 4 LEU C C 39 178.232 178.232 178.743 -0.511 17578 10822 1 20 . 1 1 4 4 LEU CA C 39 57.470 57.470 58.673 -1.203 17578 10823 1 20 . 1 1 4 4 LEU CB C 39 40.343 40.343 41.541 -1.198 17578 10824 1 20 . 1 1 4 4 LEU H H 39 7.877 7.877 8.003 -0.126 17578 10825 1 20 . 1 1 5 5 ASN N N 40 118.692 118.692 117.202 1.490 17578 10826 1 20 . 1 1 5 5 ASN HA H 40 3.997 3.997 4.396 -0.399 17578 10827 1 20 . 1 1 5 5 ASN C C 40 176.054 176.054 177.727 -1.673 17578 10828 1 20 . 1 1 5 5 ASN CA C 40 57.622 57.622 56.348 1.274 17578 10829 1 20 . 1 1 5 5 ASN CB C 40 40.113 40.113 38.298 1.815 17578 10830 1 20 . 1 1 5 5 ASN H H 40 9.313 9.313 8.378 0.935 17578 10831 1 20 . 1 1 6 6 LYS N N 41 115.497 115.497 119.653 -4.156 17578 10832 1 20 . 1 1 6 6 LYS HA H 41 3.928 3.928 3.964 -0.036 17578 10833 1 20 . 1 1 6 6 LYS C C 41 179.133 179.133 179.058 0.075 17578 10834 1 20 . 1 1 6 6 LYS CA C 41 59.909 59.909 59.264 0.645 17578 10835 1 20 . 1 1 6 6 LYS CB C 41 32.256 32.256 32.098 0.158 17578 10836 1 20 . 1 1 6 6 LYS H H 41 7.230 7.230 7.721 -0.491 17578 10837 1 20 . 1 1 7 7 LYS N N 42 118.961 118.961 120.640 -1.679 17578 10838 1 20 . 1 1 7 7 LYS HA H 42 4.040 4.040 3.964 0.076 17578 10839 1 20 . 1 1 7 7 LYS C C 42 180.272 180.272 179.213 1.059 17578 10840 1 20 . 1 1 7 7 LYS CA C 42 59.988 59.988 59.781 0.207 17578 10841 1 20 . 1 1 7 7 LYS CB C 42 33.462 33.462 32.199 1.263 17578 10842 1 20 . 1 1 7 7 LYS H H 42 7.367 7.367 8.246 -0.879 17578 10843 1 20 . 1 1 8 8 VAL N N 43 122.400 122.400 119.027 3.373 17578 10844 1 20 . 1 1 8 8 VAL HA H 43 3.303 3.303 3.843 -0.540 17578 10845 1 20 . 1 1 8 8 VAL CA C 43 67.430 67.430 66.219 1.212 17578 10846 1 20 . 1 1 8 8 VAL CB C 43 31.374 31.374 31.886 -0.512 17578 10847 1 20 . 1 1 8 8 VAL H H 43 9.215 9.215 8.107 1.108 17578 10848 1 20 . 1 1 9 9 LEU N N 44 119.626 119.626 122.392 -2.766 17578 10849 1 20 . 1 1 9 9 LEU HA H 44 3.833 3.833 4.291 -0.458 17578 10850 1 20 . 1 1 9 9 LEU CA C 44 58.453 58.453 58.095 0.358 17578 10851 1 20 . 1 1 9 9 LEU CB C 44 41.171 41.171 42.187 -1.016 17578 10852 1 20 . 1 1 9 9 LEU H H 44 8.471 8.471 8.219 0.252 17578 10853 1 20 . 1 1 10 10 LYS N N 45 119.761 119.761 118.461 1.300 17578 10854 1 20 . 1 1 10 10 LYS HA H 45 4.026 4.026 4.067 -0.041 17578 10855 1 20 . 1 1 10 10 LYS CA C 45 59.919 59.919 59.223 0.696 17578 10856 1 20 . 1 1 10 10 LYS CB C 45 32.430 32.430 31.532 0.898 17578 10857 1 20 . 1 1 10 10 LYS H H 45 7.883 7.883 8.523 -0.640 17578 10858 1 20 . 1 1 11 11 THR N N 46 116.469 116.469 117.324 -0.855 17578 10859 1 20 . 1 1 11 11 THR HA H 46 4.339 4.339 3.449 0.890 17578 10860 1 20 . 1 1 11 11 THR C C 46 175.987 175.987 176.547 -0.560 17578 10861 1 20 . 1 1 11 11 THR CB C 46 68.013 68.013 67.913 0.100 17578 10862 1 20 . 1 1 11 11 THR H H 46 7.805 7.805 7.819 -0.014 17578 10863 1 20 . 1 1 12 12 VAL N N 47 121.907 121.907 121.631 0.276 17578 10864 1 20 . 1 1 12 12 VAL HA H 47 3.232 3.232 4.127 -0.895 17578 10865 1 20 . 1 1 12 12 VAL CA C 47 67.331 67.331 65.347 1.984 17578 10866 1 20 . 1 1 12 12 VAL CB C 47 31.438 31.438 31.591 -0.153 17578 10867 1 20 . 1 1 12 12 VAL H H 47 8.782 8.782 8.006 0.776 17578 10868 1 20 . 1 1 13 13 LYS N N 48 122.393 122.393 119.697 2.696 17578 10869 1 20 . 1 1 13 13 LYS HA H 48 4.258 4.258 4.027 0.231 17578 10870 1 20 . 1 1 13 13 LYS C C 48 179.808 179.808 178.585 1.223 17578 10871 1 20 . 1 1 13 13 LYS CA C 48 59.999 59.999 59.429 0.570 17578 10872 1 20 . 1 1 13 13 LYS CB C 48 32.553 32.553 32.239 0.314 17578 10873 1 20 . 1 1 13 13 LYS H H 48 8.171 8.171 7.896 0.275 17578 10874 1 20 . 1 1 14 14 LYS N N 49 118.852 118.852 116.872 1.980 17578 10875 1 20 . 1 1 14 14 LYS HA H 49 3.973 3.973 4.303 -0.330 17578 10876 1 20 . 1 1 14 14 LYS CA C 49 59.811 59.811 58.562 1.249 17578 10877 1 20 . 1 1 14 14 LYS CB C 49 33.389 33.389 32.981 0.408 17578 10878 1 20 . 1 1 14 14 LYS H H 49 7.941 7.941 7.781 0.160 17578 10879 1 20 . 1 1 15 15 ALA N N 50 122.047 122.047 122.664 -0.617 17578 10880 1 20 . 1 1 15 15 ALA HA H 50 3.496 3.496 4.328 -0.832 17578 10881 1 20 . 1 1 15 15 ALA CA C 50 54.709 54.709 54.795 -0.086 17578 10882 1 20 . 1 1 15 15 ALA CB C 50 18.917 18.917 18.083 0.834 17578 10883 1 20 . 1 1 15 15 ALA H H 50 8.544 8.544 8.354 0.190 17578 10884 1 20 . 1 1 16 16 SER N N 51 116.561 116.561 113.995 2.566 17578 10885 1 20 . 1 1 16 16 SER HA H 51 4.730 4.730 4.159 0.571 17578 10886 1 20 . 1 1 16 16 SER C C 51 178.560 178.560 175.890 2.670 17578 10887 1 20 . 1 1 16 16 SER CA C 51 61.680 61.680 61.558 0.122 17578 10888 1 20 . 1 1 16 16 SER CB C 51 62.551 62.551 62.805 -0.254 17578 10889 1 20 . 1 1 16 16 SER H H 51 8.551 8.551 8.124 0.427 17578 10890 1 20 . 1 1 17 17 LYS N N 52 124.890 124.890 119.424 5.466 17578 10891 1 20 . 1 1 17 17 LYS HA H 52 4.072 4.072 4.132 -0.060 17578 10892 1 20 . 1 1 17 17 LYS C C 52 177.377 177.377 177.424 -0.047 17578 10893 1 20 . 1 1 17 17 LYS CA C 52 58.931 58.931 57.555 1.376 17578 10894 1 20 . 1 1 17 17 LYS CB C 52 31.961 31.961 32.522 -0.561 17578 10895 1 20 . 1 1 17 17 LYS H H 52 7.578 7.578 7.622 -0.044 17578 10896 1 20 . 1 1 18 18 ALA N N 53 118.628 118.628 120.311 -1.683 17578 10897 1 20 . 1 1 18 18 ALA HA H 53 4.285 4.285 4.361 -0.076 17578 10898 1 20 . 1 1 18 18 ALA C C 53 175.061 175.061 176.864 -1.803 17578 10899 1 20 . 1 1 18 18 ALA CA C 53 51.822 51.822 52.302 -0.480 17578 10900 1 20 . 1 1 18 18 ALA CB C 53 19.390 19.390 19.113 0.277 17578 10901 1 20 . 1 1 18 18 ALA H H 53 7.112 7.112 7.661 -0.549 17578 10902 1 20 . 1 1 19 19 LYS N N 54 111.984 111.984 115.767 -3.783 17578 10903 1 20 . 1 1 19 19 LYS HA H 54 4.026 4.026 3.957 0.069 17578 10904 1 20 . 1 1 19 19 LYS CA C 54 57.222 57.222 57.068 0.154 17578 10905 1 20 . 1 1 19 19 LYS CB C 54 28.387 28.387 30.649 -2.262 17578 10906 1 20 . 1 1 19 19 LYS H H 54 7.653 7.653 7.521 0.132 17578 10907 1 20 . 1 1 20 20 ASN N N 55 116.088 116.088 115.899 0.189 17578 10908 1 20 . 1 1 20 20 ASN HA H 55 5.102 5.102 4.749 0.353 17578 10909 1 20 . 1 1 20 20 ASN C C 55 172.975 172.975 173.836 -0.861 17578 10910 1 20 . 1 1 20 20 ASN CA C 55 51.215 51.215 52.684 -1.469 17578 10911 1 20 . 1 1 20 20 ASN CB C 55 40.316 40.316 39.398 0.918 17578 10912 1 20 . 1 1 20 20 ASN H H 55 8.118 8.118 7.741 0.377 17578 10913 1 20 . 1 1 21 21 VAL N N 56 114.959 114.959 118.773 -3.814 17578 10914 1 20 . 1 1 21 21 VAL HA H 56 4.938 4.938 4.076 0.862 17578 10915 1 20 . 1 1 21 21 VAL C C 56 175.409 175.409 173.245 2.164 17578 10916 1 20 . 1 1 21 21 VAL CA C 56 60.901 60.901 61.003 -0.102 17578 10917 1 20 . 1 1 21 21 VAL CB C 56 35.368 35.368 35.014 0.354 17578 10918 1 20 . 1 1 21 21 VAL H H 56 7.628 7.628 7.289 0.339 17578 10919 1 20 . 1 1 22 22 LYS N N 57 126.485 126.485 126.989 -0.504 17578 10920 1 20 . 1 1 22 22 LYS HA H 57 4.712 4.712 4.819 -0.107 17578 10921 1 20 . 1 1 22 22 LYS C C 57 175.394 175.394 174.580 0.814 17578 10922 1 20 . 1 1 22 22 LYS CA C 57 54.485 54.485 53.579 0.906 17578 10923 1 20 . 1 1 22 22 LYS CB C 57 33.669 33.669 35.841 -2.172 17578 10924 1 20 . 1 1 22 22 LYS H H 57 8.987 8.987 8.404 0.583 17578 10925 1 20 . 1 1 23 23 ARG N N 58 122.011 122.011 120.898 1.113 17578 10926 1 20 . 1 1 23 23 ARG HA H 58 4.837 4.837 5.027 -0.190 17578 10927 1 20 . 1 1 23 23 ARG C C 58 175.930 175.930 175.572 0.358 17578 10928 1 20 . 1 1 23 23 ARG CA C 58 55.872 55.872 55.300 0.572 17578 10929 1 20 . 1 1 23 23 ARG CB C 58 33.513 33.513 31.213 2.300 17578 10930 1 20 . 1 1 23 23 ARG H H 58 9.024 9.024 8.580 0.444 17578 10931 1 20 . 1 1 24 24 GLY N N 59 111.007 111.007 111.787 -0.780 17578 10932 1 20 . 1 1 24 24 GLY CA C 59 44.790 44.790 45.046 -0.256 17578 10933 1 20 . 1 1 24 24 GLY H H 59 8.315 8.315 8.519 -0.204 17578 10934 1 20 . 1 1 25 25 VAL N N 60 119.423 119.423 122.127 -2.704 17578 10935 1 20 . 1 1 25 25 VAL HA H 60 3.156 3.156 3.438 -0.282 17578 10936 1 20 . 1 1 25 25 VAL C C 60 176.562 176.562 176.880 -0.318 17578 10937 1 20 . 1 1 25 25 VAL CA C 60 68.037 68.037 65.412 2.626 17578 10938 1 20 . 1 1 25 25 VAL CB C 60 32.050 32.050 31.989 0.061 17578 10939 1 20 . 1 1 25 25 VAL H H 60 8.152 8.152 8.479 -0.327 17578 10940 1 20 . 1 1 26 26 LYS N N 61 117.316 117.316 118.147 -0.831 17578 10941 1 20 . 1 1 26 26 LYS HA H 61 3.919 3.919 4.036 -0.117 17578 10942 1 20 . 1 1 26 26 LYS C C 61 180.130 180.130 178.413 1.717 17578 10943 1 20 . 1 1 26 26 LYS CA C 61 60.157 60.157 59.511 0.646 17578 10944 1 20 . 1 1 26 26 LYS CB C 61 32.041 32.041 31.939 0.102 17578 10945 1 20 . 1 1 26 26 LYS H H 61 8.156 8.156 8.566 -0.410 17578 10946 1 20 . 1 1 27 27 GLU N N 62 117.535 117.535 119.264 -1.729 17578 10947 1 20 . 1 1 27 27 GLU HA H 62 3.961 3.961 4.148 -0.187 17578 10948 1 20 . 1 1 27 27 GLU CA C 62 58.787 58.787 59.038 -0.251 17578 10949 1 20 . 1 1 27 27 GLU CB C 62 29.843 29.843 29.392 0.451 17578 10950 1 20 . 1 1 27 27 GLU H H 62 8.531 8.531 7.646 0.885 17578 10951 1 20 . 1 1 28 28 VAL N N 63 120.589 120.589 116.652 3.937 17578 10952 1 20 . 1 1 28 28 VAL HA H 63 3.498 3.498 2.616 0.882 17578 10953 1 20 . 1 1 28 28 VAL CA C 63 68.099 68.099 65.911 2.188 17578 10954 1 20 . 1 1 28 28 VAL CB C 63 31.376 31.376 30.978 0.398 17578 10955 1 20 . 1 1 28 28 VAL H H 63 8.255 8.255 8.031 0.224 17578 10956 1 20 . 1 1 29 29 VAL N N 64 118.570 118.570 120.134 -1.564 17578 10957 1 20 . 1 1 29 29 VAL HA H 64 3.359 3.359 3.706 -0.347 17578 10958 1 20 . 1 1 29 29 VAL C C 64 177.549 177.549 178.050 -0.501 17578 10959 1 20 . 1 1 29 29 VAL CA C 64 67.456 67.456 65.949 1.507 17578 10960 1 20 . 1 1 29 29 VAL CB C 64 31.233 31.233 30.548 0.685 17578 10961 1 20 . 1 1 29 29 VAL H H 64 8.535 8.535 8.054 0.481 17578 10962 1 20 . 1 1 30 30 LYS N N 65 117.926 117.926 121.318 -3.392 17578 10963 1 20 . 1 1 30 30 LYS HA H 65 3.875 3.875 3.982 -0.107 17578 10964 1 20 . 1 1 30 30 LYS CA C 65 59.811 59.811 59.680 0.131 17578 10965 1 20 . 1 1 30 30 LYS CB C 65 32.715 32.715 32.305 0.410 17578 10966 1 20 . 1 1 30 30 LYS H H 65 7.538 7.538 7.856 -0.318 17578 10967 1 20 . 1 1 31 31 ALA N N 66 120.475 120.475 121.062 -0.587 17578 10968 1 20 . 1 1 31 31 ALA HA H 66 4.071 4.071 4.184 -0.113 17578 10969 1 20 . 1 1 31 31 ALA C C 66 179.596 179.596 179.768 -0.172 17578 10970 1 20 . 1 1 31 31 ALA CA C 66 55.051 55.051 54.730 0.321 17578 10971 1 20 . 1 1 31 31 ALA CB C 66 18.901 18.901 18.179 0.722 17578 10972 1 20 . 1 1 31 31 ALA H H 66 7.496 7.496 8.023 -0.527 17578 10973 1 20 . 1 1 32 32 LEU N N 67 119.357 119.357 119.980 -0.623 17578 10974 1 20 . 1 1 32 32 LEU HA H 67 3.854 3.854 4.088 -0.234 17578 10975 1 20 . 1 1 32 32 LEU CA C 67 57.859 57.859 57.674 0.185 17578 10976 1 20 . 1 1 32 32 LEU CB C 67 42.442 42.442 42.048 0.394 17578 10977 1 20 . 1 1 32 32 LEU H H 67 8.376 8.376 7.751 0.625 17578 10978 1 20 . 1 1 33 33 ARG N N 68 116.045 116.045 117.986 -1.941 17578 10979 1 20 . 1 1 33 33 ARG HA H 68 3.802 3.802 4.088 -0.286 17578 10980 1 20 . 1 1 33 33 ARG CA C 68 59.306 59.306 57.656 1.650 17578 10981 1 20 . 1 1 33 33 ARG CB C 68 29.759 29.759 30.212 -0.453 17578 10982 1 20 . 1 1 33 33 ARG H H 68 8.091 8.091 7.989 0.102 17578 10983 1 20 . 1 1 34 34 LYS N N 69 117.845 117.845 117.235 0.610 17578 10984 1 20 . 1 1 34 34 LYS HA H 69 4.255 4.255 4.228 0.027 17578 10985 1 20 . 1 1 34 34 LYS C C 69 176.831 176.831 177.735 -0.904 17578 10986 1 20 . 1 1 34 34 LYS CA C 69 56.548 56.548 57.137 -0.589 17578 10987 1 20 . 1 1 34 34 LYS CB C 69 32.710 32.710 33.288 -0.578 17578 10988 1 20 . 1 1 34 34 LYS H H 69 7.616 7.616 7.876 -0.260 17578 10989 1 20 . 1 1 35 35 GLY N N 70 106.783 106.783 105.412 1.371 17578 10990 1 20 . 1 1 35 35 GLY CA C 70 45.537 45.537 45.118 0.419 17578 10991 1 20 . 1 1 35 35 GLY H H 70 7.739 7.739 8.429 -0.690 17578 10992 1 20 . 1 1 36 36 GLU N N 71 119.424 119.424 119.376 0.048 17578 10993 1 20 . 1 1 36 36 GLU HA H 71 4.226 4.226 4.296 -0.070 17578 10994 1 20 . 1 1 36 36 GLU C C 71 175.400 175.400 175.893 -0.493 17578 10995 1 20 . 1 1 36 36 GLU CA C 71 57.414 57.414 56.257 1.157 17578 10996 1 20 . 1 1 36 36 GLU CB C 71 29.442 29.442 29.428 0.014 17578 10997 1 20 . 1 1 36 36 GLU H H 71 7.698 7.698 8.378 -0.680 17578 10998 1 20 . 1 1 37 37 LYS N N 72 118.290 118.290 122.077 -3.787 17578 10999 1 20 . 1 1 37 37 LYS HA H 72 4.903 4.903 4.265 0.638 17578 11000 1 20 . 1 1 37 37 LYS C C 72 175.809 175.809 176.155 -0.346 17578 11001 1 20 . 1 1 37 37 LYS CA C 72 53.791 53.791 57.600 -3.809 17578 11002 1 20 . 1 1 37 37 LYS CB C 72 34.781 34.781 32.756 2.025 17578 11003 1 20 . 1 1 37 37 LYS H H 72 8.223 8.223 7.636 0.587 17578 11004 1 20 . 1 1 38 38 GLY N N 73 104.682 104.682 112.149 -7.467 17578 11005 1 20 . 1 1 38 38 GLY C C 73 171.884 171.884 173.783 -1.899 17578 11006 1 20 . 1 1 38 38 GLY CA C 73 46.360 46.360 45.016 1.344 17578 11007 1 20 . 1 1 38 38 GLY H H 73 7.217 7.217 8.329 -1.112 17578 11008 1 20 . 1 1 39 39 LEU N N 74 125.372 125.372 121.647 3.725 17578 11009 1 20 . 1 1 39 39 LEU HA H 74 4.994 4.994 4.753 0.241 17578 11010 1 20 . 1 1 39 39 LEU C C 74 174.380 174.380 175.713 -1.333 17578 11011 1 20 . 1 1 39 39 LEU CA C 74 54.363 54.363 53.345 1.018 17578 11012 1 20 . 1 1 39 39 LEU CB C 74 47.028 47.028 45.094 1.934 17578 11013 1 20 . 1 1 39 39 LEU H H 74 8.945 8.945 8.129 0.816 17578 11014 1 20 . 1 1 40 40 VAL N N 75 130.967 130.967 123.243 7.724 17578 11015 1 20 . 1 1 40 40 VAL HA H 75 4.644 4.644 4.283 0.361 17578 11016 1 20 . 1 1 40 40 VAL C C 75 173.667 173.667 174.697 -1.030 17578 11017 1 20 . 1 1 40 40 VAL CA C 75 62.273 62.273 62.176 0.097 17578 11018 1 20 . 1 1 40 40 VAL CB C 75 32.591 32.591 33.299 -0.708 17578 11019 1 20 . 1 1 40 40 VAL H H 75 8.551 8.551 8.523 0.028 17578 11020 1 20 . 1 1 41 41 VAL N N 76 127.493 127.493 127.377 0.116 17578 11021 1 20 . 1 1 41 41 VAL HA H 76 4.660 4.660 4.470 0.190 17578 11022 1 20 . 1 1 41 41 VAL C C 76 173.669 173.669 174.681 -1.012 17578 11023 1 20 . 1 1 41 41 VAL CA C 76 60.899 60.899 59.949 0.950 17578 11024 1 20 . 1 1 41 41 VAL CB C 76 33.346 33.346 33.076 0.270 17578 11025 1 20 . 1 1 41 41 VAL H H 76 8.804 8.804 9.053 -0.249 17578 11026 1 20 . 1 1 42 42 ILE N N 77 125.646 125.646 127.396 -1.750 17578 11027 1 20 . 1 1 42 42 ILE HA H 77 4.444 4.444 4.311 0.133 17578 11028 1 20 . 1 1 42 42 ILE C C 77 174.817 174.817 174.201 0.616 17578 11029 1 20 . 1 1 42 42 ILE CA C 77 59.700 59.700 58.585 1.115 17578 11030 1 20 . 1 1 42 42 ILE CB C 77 39.977 39.977 40.789 -0.812 17578 11031 1 20 . 1 1 42 42 ILE H H 77 8.613 8.613 8.532 0.081 17578 11032 1 20 . 1 1 43 43 ALA N N 78 128.691 128.691 130.449 -1.758 17578 11033 1 20 . 1 1 43 43 ALA HA H 78 4.459 4.459 5.119 -0.660 17578 11034 1 20 . 1 1 43 43 ALA C C 78 177.584 177.584 178.505 -0.921 17578 11035 1 20 . 1 1 43 43 ALA CA C 78 52.372 52.372 50.253 2.119 17578 11036 1 20 . 1 1 43 43 ALA CB C 78 19.504 19.504 19.078 0.426 17578 11037 1 20 . 1 1 43 43 ALA H H 78 8.565 8.565 8.122 0.443 17578 11038 1 20 . 1 1 44 44 GLY N N 79 103.957 103.957 110.347 -6.390 17578 11039 1 20 . 1 1 44 44 GLY C C 79 173.252 173.252 174.591 -1.339 17578 11040 1 20 . 1 1 44 44 GLY CA C 79 45.764 45.764 45.692 0.072 17578 11041 1 20 . 1 1 44 44 GLY H H 79 9.083 9.083 8.166 0.917 17578 11042 1 20 . 1 1 45 45 ASP N N 80 118.632 118.632 119.846 -1.214 17578 11043 1 20 . 1 1 45 45 ASP HA H 80 4.918 4.918 4.992 -0.074 17578 11044 1 20 . 1 1 45 45 ASP CA C 80 52.689 52.689 53.387 -0.698 17578 11045 1 20 . 1 1 45 45 ASP CB C 80 39.118 39.118 40.914 -1.796 17578 11046 1 20 . 1 1 45 45 ASP H H 80 8.695 8.695 8.159 0.536 17578 11047 1 20 . 1 1 46 46 ILE N N 81 117.935 117.935 118.959 -1.024 17578 11048 1 20 . 1 1 46 46 ILE HA H 81 4.179 4.179 4.388 -0.209 17578 11049 1 20 . 1 1 46 46 ILE C C 81 172.890 172.890 173.666 -0.776 17578 11050 1 20 . 1 1 46 46 ILE CA C 81 59.242 59.242 59.961 -0.719 17578 11051 1 20 . 1 1 46 46 ILE CB C 81 39.253 39.253 41.914 -2.661 17578 11052 1 20 . 1 1 46 46 ILE H H 81 6.730 6.730 7.545 -0.815 17578 11053 1 20 . 1 1 47 47 TRP N N 82 123.585 123.585 125.335 -1.750 17578 11054 1 20 . 1 1 47 47 TRP HA H 82 4.587 4.587 5.039 -0.452 17578 11055 1 20 . 1 1 47 47 TRP CA C 82 55.386 55.386 54.982 0.404 17578 11056 1 20 . 1 1 47 47 TRP CB C 82 32.147 32.147 30.281 1.866 17578 11057 1 20 . 1 1 47 47 TRP H H 82 7.804 7.804 8.321 -0.517 17578 11058 1 20 . 1 1 48 48 PRO HA H 83 4.248 4.248 4.318 -0.070 17578 11059 1 20 . 1 1 48 48 PRO CA C 83 62.712 62.712 62.144 0.568 17578 11060 1 20 . 1 1 48 48 PRO CB C 83 34.011 34.011 32.552 1.459 17578 11061 1 20 . 1 1 49 49 ALA N N 84 121.827 121.827 119.285 2.542 17578 11062 1 20 . 1 1 49 49 ALA HA H 84 3.969 3.969 3.938 0.031 17578 11063 1 20 . 1 1 49 49 ALA CA C 84 54.183 54.183 52.279 1.904 17578 11064 1 20 . 1 1 49 49 ALA CB C 84 19.404 19.404 18.143 1.261 17578 11065 1 20 . 1 1 49 49 ALA H H 84 8.198 8.198 7.501 0.697 17578 11066 1 20 . 1 1 50 50 ASP N N 85 114.049 114.049 119.427 -5.378 17578 11067 1 20 . 1 1 50 50 ASP HA H 85 4.301 4.301 4.272 0.029 17578 11068 1 20 . 1 1 50 50 ASP C C 85 177.428 177.428 177.945 -0.517 17578 11069 1 20 . 1 1 50 50 ASP CA C 85 55.777 55.777 56.926 -1.149 17578 11070 1 20 . 1 1 50 50 ASP CB C 85 40.060 40.060 40.242 -0.182 17578 11071 1 20 . 1 1 50 50 ASP H H 85 8.008 8.008 8.478 -0.470 17578 11072 1 20 . 1 1 51 51 VAL N N 86 116.790 116.790 116.288 0.502 17578 11073 1 20 . 1 1 51 51 VAL HA H 86 3.841 3.841 3.609 0.232 17578 11074 1 20 . 1 1 51 51 VAL C C 86 176.231 176.231 177.261 -1.030 17578 11075 1 20 . 1 1 51 51 VAL CA C 86 65.332 65.332 65.338 -0.006 17578 11076 1 20 . 1 1 51 51 VAL CB C 86 32.123 32.123 31.320 0.803 17578 11077 1 20 . 1 1 51 51 VAL H H 86 7.542 7.542 7.302 0.240 17578 11078 1 20 . 1 1 52 52 ILE N N 87 107.529 107.529 119.785 -12.256 17578 11079 1 20 . 1 1 52 52 ILE HA H 87 4.638 4.638 3.653 0.985 17578 11080 1 20 . 1 1 52 52 ILE C C 87 178.026 178.026 177.801 0.225 17578 11081 1 20 . 1 1 52 52 ILE CA C 87 59.806 59.806 64.626 -4.820 17578 11082 1 20 . 1 1 52 52 ILE CB C 87 40.742 40.742 37.555 3.187 17578 11083 1 20 . 1 1 52 52 ILE H H 87 7.310 7.310 8.431 -1.121 17578 11084 1 20 . 1 1 53 53 SER N N 88 116.004 116.004 114.792 1.212 17578 11085 1 20 . 1 1 53 53 SER HA H 88 4.566 4.566 4.284 0.282 17578 11086 1 20 . 1 1 53 53 SER CA C 88 61.760 61.760 60.908 0.852 17578 11087 1 20 . 1 1 53 53 SER CB C 88 62.391 62.391 63.775 -1.384 17578 11088 1 20 . 1 1 53 53 SER H H 88 7.827 7.827 8.088 -0.261 17578 11089 1 20 . 1 1 54 54 HIS HA H 89 4.572 4.572 4.447 0.125 17578 11090 1 20 . 1 1 54 54 HIS CA C 89 56.789 56.789 59.205 -2.416 17578 11091 1 20 . 1 1 54 54 HIS CB C 89 30.527 30.527 30.073 0.454 17578 11092 1 20 . 1 1 55 55 ILE N N 90 120.579 120.579 120.947 -0.368 17578 11093 1 20 . 1 1 55 55 ILE HA H 90 3.512 3.512 3.849 -0.337 17578 11094 1 20 . 1 1 55 55 ILE CA C 90 65.424 65.424 67.203 -1.779 17578 11095 1 20 . 1 1 55 55 ILE CB C 90 34.176 34.176 35.851 -1.675 17578 11096 1 20 . 1 1 55 55 ILE H H 90 7.764 7.764 8.167 -0.403 17578 11097 1 20 . 1 1 56 56 PRO HA H 91 2.942 2.942 4.379 -1.437 17578 11098 1 20 . 1 1 56 56 PRO C C 91 177.032 177.032 179.009 -1.977 17578 11099 1 20 . 1 1 56 56 PRO CA C 91 66.842 66.842 65.764 1.078 17578 11100 1 20 . 1 1 56 56 PRO CB C 91 31.206 31.206 31.350 -0.144 17578 11101 1 20 . 1 1 57 57 VAL N N 92 114.379 114.379 119.009 -4.630 17578 11102 1 20 . 1 1 57 57 VAL HA H 92 3.574 3.574 3.711 -0.137 17578 11103 1 20 . 1 1 57 57 VAL CA C 92 65.900 65.900 66.423 -0.523 17578 11104 1 20 . 1 1 57 57 VAL CB C 92 31.600 31.600 31.886 -0.285 17578 11105 1 20 . 1 1 57 57 VAL H H 92 6.497 6.497 7.592 -1.095 17578 11106 1 20 . 1 1 58 58 LEU N N 93 120.522 120.522 119.975 0.547 17578 11107 1 20 . 1 1 58 58 LEU HA H 93 4.227 4.227 4.108 0.119 17578 11108 1 20 . 1 1 58 58 LEU C C 93 180.251 180.251 178.101 2.150 17578 11109 1 20 . 1 1 58 58 LEU CA C 93 57.838 57.838 58.119 -0.281 17578 11110 1 20 . 1 1 58 58 LEU CB C 93 43.172 43.172 41.443 1.729 17578 11111 1 20 . 1 1 58 58 LEU H H 93 7.460 7.460 7.583 -0.123 17578 11112 1 20 . 1 1 59 59 CYS N N 94 117.195 117.195 117.472 -0.277 17578 11113 1 20 . 1 1 59 59 CYS HA H 94 3.867 3.867 4.380 -0.513 17578 11114 1 20 . 1 1 59 59 CYS C C 94 176.362 176.362 177.210 -0.848 17578 11115 1 20 . 1 1 59 59 CYS CA C 94 65.379 65.379 62.242 3.137 17578 11116 1 20 . 1 1 59 59 CYS CB C 94 26.344 26.344 28.253 -1.909 17578 11117 1 20 . 1 1 59 59 CYS H H 94 8.335 8.335 8.120 0.215 17578 11118 1 20 . 1 1 60 60 GLU N N 95 120.777 120.777 120.271 0.506 17578 11119 1 20 . 1 1 60 60 GLU HA H 95 4.209 4.209 4.159 0.050 17578 11120 1 20 . 1 1 60 60 GLU CA C 95 59.760 59.760 58.546 1.214 17578 11121 1 20 . 1 1 60 60 GLU CB C 95 29.201 29.201 29.395 -0.195 17578 11122 1 20 . 1 1 60 60 GLU H H 95 8.235 8.235 8.442 -0.207 17578 11123 1 20 . 1 1 61 61 ASP N N 96 120.910 120.910 118.795 2.115 17578 11124 1 20 . 1 1 61 61 ASP HA H 96 4.292 4.292 4.596 -0.304 17578 11125 1 20 . 1 1 61 61 ASP C C 96 177.890 177.890 177.328 0.562 17578 11126 1 20 . 1 1 61 61 ASP CA C 96 57.235 57.235 56.292 0.943 17578 11127 1 20 . 1 1 61 61 ASP CB C 96 40.580 40.580 41.355 -0.775 17578 11128 1 20 . 1 1 61 61 ASP H H 96 8.509 8.509 7.769 0.740 17578 11129 1 20 . 1 1 62 62 HIS N N 97 115.923 115.923 116.277 -0.354 17578 11130 1 20 . 1 1 62 62 HIS HA H 97 4.495 4.495 4.854 -0.359 17578 11131 1 20 . 1 1 62 62 HIS C C 97 173.548 173.548 174.466 -0.918 17578 11132 1 20 . 1 1 62 62 HIS CA C 97 57.290 57.290 55.315 1.975 17578 11133 1 20 . 1 1 62 62 HIS CB C 97 29.997 29.997 32.380 -2.384 17578 11134 1 20 . 1 1 62 62 HIS H H 97 7.635 7.635 7.820 -0.185 17578 11135 1 20 . 1 1 63 63 SER N N 98 114.634 114.634 114.683 -0.049 17578 11136 1 20 . 1 1 63 63 SER HA H 98 4.489 4.489 4.167 0.322 17578 11137 1 20 . 1 1 63 63 SER C C 98 173.949 173.949 172.006 1.943 17578 11138 1 20 . 1 1 63 63 SER CA C 98 58.842 58.842 58.407 0.435 17578 11139 1 20 . 1 1 63 63 SER CB C 98 61.396 61.396 62.637 -1.241 17578 11140 1 20 . 1 1 63 63 SER H H 98 7.888 7.888 7.747 0.141 17578 11141 1 20 . 1 1 64 64 VAL N N 99 123.090 123.090 123.283 -0.193 17578 11142 1 20 . 1 1 64 64 VAL HA H 99 4.721 4.721 4.311 0.410 17578 11143 1 20 . 1 1 64 64 VAL CA C 99 58.978 58.978 58.675 0.303 17578 11144 1 20 . 1 1 64 64 VAL CB C 99 35.228 35.228 34.755 0.473 17578 11145 1 20 . 1 1 64 64 VAL H H 99 8.590 8.590 7.905 0.685 17578 11146 1 20 . 1 1 65 65 PRO HA H 100 4.263 4.263 4.088 0.175 17578 11147 1 20 . 1 1 65 65 PRO C C 100 173.191 173.191 175.325 -2.134 17578 11148 1 20 . 1 1 65 65 PRO CA C 100 63.427 63.427 62.507 0.920 17578 11149 1 20 . 1 1 65 65 PRO CB C 100 31.863 31.863 32.059 -0.197 17578 11150 1 20 . 1 1 66 66 TYR N N 101 114.702 114.702 119.347 -4.645 17578 11151 1 20 . 1 1 66 66 TYR HA H 101 5.925 5.925 5.716 0.209 17578 11152 1 20 . 1 1 66 66 TYR CA C 101 53.501 53.501 55.074 -1.573 17578 11153 1 20 . 1 1 66 66 TYR CB C 101 41.793 41.793 41.708 0.085 17578 11154 1 20 . 1 1 66 66 TYR H H 101 6.243 6.243 7.346 -1.103 17578 11155 1 20 . 1 1 67 67 ILE N N 102 111.885 111.885 116.219 -4.334 17578 11156 1 20 . 1 1 67 67 ILE HA H 102 4.502 4.502 4.522 -0.020 17578 11157 1 20 . 1 1 67 67 ILE C C 102 172.358 172.358 174.092 -1.734 17578 11158 1 20 . 1 1 67 67 ILE CA C 102 55.442 55.442 60.805 -5.363 17578 11159 1 20 . 1 1 67 67 ILE CB C 102 43.124 43.124 42.666 0.458 17578 11160 1 20 . 1 1 67 67 ILE H H 102 7.986 7.986 8.386 -0.400 17578 11161 1 20 . 1 1 68 68 PHE N N 103 122.274 122.274 125.640 -3.366 17578 11162 1 20 . 1 1 68 68 PHE HA H 103 5.087 5.087 4.875 0.212 17578 11163 1 20 . 1 1 68 68 PHE C C 103 176.173 176.173 174.641 1.532 17578 11164 1 20 . 1 1 68 68 PHE CA C 103 56.103 56.103 57.330 -1.227 17578 11165 1 20 . 1 1 68 68 PHE CB C 103 39.891 39.891 40.124 -0.233 17578 11166 1 20 . 1 1 68 68 PHE H H 103 8.108 8.108 8.481 -0.373 17578 11167 1 20 . 1 1 69 69 ILE N N 104 114.613 114.613 122.342 -7.729 17578 11168 1 20 . 1 1 69 69 ILE HA H 104 4.927 4.927 4.881 0.046 17578 11169 1 20 . 1 1 69 69 ILE CA C 104 57.831 57.831 57.858 -0.027 17578 11170 1 20 . 1 1 69 69 ILE CB C 104 38.302 38.302 40.797 -2.495 17578 11171 1 20 . 1 1 69 69 ILE H H 104 8.843 8.843 8.408 0.435 17578 11172 1 20 . 1 1 70 70 PRO HA H 105 4.093 4.093 4.697 -0.604 17578 11173 1 20 . 1 1 70 70 PRO CA C 105 66.439 66.439 62.940 3.499 17578 11174 1 20 . 1 1 70 70 PRO CB C 105 32.879 32.879 32.408 0.471 17578 11175 1 20 . 1 1 71 71 SER N N 106 106.896 106.896 111.661 -4.765 17578 11176 1 20 . 1 1 71 71 SER HA H 106 5.227 5.227 4.537 0.690 17578 11177 1 20 . 1 1 71 71 SER CA C 106 55.373 55.373 59.897 -4.524 17578 11178 1 20 . 1 1 71 71 SER CB C 106 64.696 64.696 64.355 0.341 17578 11179 1 20 . 1 1 71 71 SER H H 106 7.548 7.548 8.280 -0.732 17578 11180 1 20 . 1 1 72 72 LYS N N 107 119.881 119.881 122.696 -2.815 17578 11181 1 20 . 1 1 72 72 LYS HA H 107 4.191 4.191 4.013 0.178 17578 11182 1 20 . 1 1 72 72 LYS CA C 107 58.623 58.623 59.660 -1.037 17578 11183 1 20 . 1 1 72 72 LYS CB C 107 30.957 30.957 31.532 -0.575 17578 11184 1 20 . 1 1 72 72 LYS H H 107 8.328 8.328 8.600 -0.272 17578 11185 1 20 . 1 1 73 73 GLN N N 108 123.720 123.720 116.698 7.022 17578 11186 1 20 . 1 1 73 73 GLN HA H 108 4.013 4.013 4.235 -0.222 17578 11187 1 20 . 1 1 73 73 GLN CA C 108 58.621 58.621 58.804 -0.184 17578 11188 1 20 . 1 1 73 73 GLN CB C 108 28.331 28.331 27.954 0.377 17578 11189 1 20 . 1 1 73 73 GLN H H 108 8.543 8.543 8.530 0.013 17578 11190 1 20 . 1 1 74 74 ASP N N 109 121.068 121.068 120.281 0.787 17578 11191 1 20 . 1 1 74 74 ASP HA H 109 4.353 4.353 4.365 -0.012 17578 11192 1 20 . 1 1 74 74 ASP CA C 109 56.941 56.941 58.116 -1.175 17578 11193 1 20 . 1 1 74 74 ASP CB C 109 40.403 40.403 40.562 -0.159 17578 11194 1 20 . 1 1 74 74 ASP H H 109 7.998 7.998 8.727 -0.729 17578 11195 1 20 . 1 1 75 75 LEU N N 110 120.670 120.670 120.475 0.195 17578 11196 1 20 . 1 1 75 75 LEU HA H 110 3.967 3.967 4.168 -0.201 17578 11197 1 20 . 1 1 75 75 LEU C C 110 178.753 178.753 179.160 -0.407 17578 11198 1 20 . 1 1 75 75 LEU CA C 110 57.080 57.080 57.040 0.040 17578 11199 1 20 . 1 1 75 75 LEU CB C 110 41.235 41.235 41.878 -0.643 17578 11200 1 20 . 1 1 75 75 LEU H H 110 7.999 7.999 7.303 0.696 17578 11201 1 20 . 1 1 76 76 GLY N N 111 105.512 105.512 107.417 -1.905 17578 11202 1 20 . 1 1 76 76 GLY C C 111 175.517 175.517 175.532 -0.015 17578 11203 1 20 . 1 1 76 76 GLY CA C 111 46.745 46.745 47.318 -0.573 17578 11204 1 20 . 1 1 76 76 GLY H H 111 8.012 8.012 8.508 -0.496 17578 11205 1 20 . 1 1 77 77 ALA N N 112 122.891 122.891 123.857 -0.966 17578 11206 1 20 . 1 1 77 77 ALA HA H 112 4.180 4.180 4.307 -0.127 17578 11207 1 20 . 1 1 77 77 ALA CA C 112 53.652 53.652 53.950 -0.298 17578 11208 1 20 . 1 1 77 77 ALA CB C 112 18.482 18.482 18.529 -0.046 17578 11209 1 20 . 1 1 77 77 ALA H H 112 7.785 7.785 7.797 -0.012 17578 11210 1 20 . 1 1 78 78 ALA N N 113 121.205 121.205 119.871 1.334 17578 11211 1 20 . 1 1 78 78 ALA HA H 113 4.213 4.213 4.088 0.125 17578 11212 1 20 . 1 1 78 78 ALA CA C 113 53.503 53.503 54.283 -0.781 17578 11213 1 20 . 1 1 78 78 ALA CB C 113 18.897 18.897 19.078 -0.181 17578 11214 1 20 . 1 1 78 78 ALA H H 113 7.787 7.787 7.943 -0.156 17578 11215 1 20 . 1 1 79 79 GLY N N 114 104.082 104.082 103.971 0.111 17578 11216 1 20 . 1 1 79 79 GLY CA C 114 44.764 44.764 44.724 0.041 17578 11217 1 20 . 1 1 79 79 GLY H H 114 7.756 7.756 8.169 -0.413 17578 11218 1 20 . 1 1 80 80 ALA HA H 115 4.061 4.061 4.482 -0.421 17578 11219 1 20 . 1 1 80 80 ALA CA C 115 53.192 53.192 51.677 1.515 17578 11220 1 20 . 1 1 80 80 ALA CB C 115 19.493 19.493 19.719 -0.226 17578 11221 1 20 . 1 1 81 81 THR N N 116 116.258 116.258 114.755 1.503 17578 11222 1 20 . 1 1 81 81 THR CA C 116 57.223 57.223 62.316 -5.093 17578 11223 1 20 . 1 1 81 81 THR CB C 116 64.784 64.784 69.110 -4.326 17578 11224 1 20 . 1 1 81 81 THR H H 116 8.121 8.121 8.345 -0.224 17578 11225 1 20 . 1 1 83 83 ARG N N 118 122.269 122.269 119.419 2.850 17578 11226 1 20 . 1 1 83 83 ARG H H 118 8.128 8.128 8.322 -0.194 17578 11227 1 20 . 1 1 85 85 THR N N 120 120.171 120.171 116.507 3.664 17578 11228 1 20 . 1 1 85 85 THR C C 120 172.729 172.729 173.797 -1.068 17578 11229 1 20 . 1 1 85 85 THR H H 120 8.127 8.127 7.859 0.268 17578 11230 1 20 . 1 1 86 86 SER N N 121 115.808 115.808 115.101 0.707 17578 11231 1 20 . 1 1 86 86 SER HA H 121 4.280 4.280 4.541 -0.261 17578 11232 1 20 . 1 1 86 86 SER CA C 121 59.573 59.573 58.282 1.291 17578 11233 1 20 . 1 1 86 86 SER CB C 121 64.384 64.384 64.105 0.279 17578 11234 1 20 . 1 1 86 86 SER H H 121 7.045 7.045 8.233 -1.188 17578 11235 1 20 . 1 1 87 87 VAL N N 122 115.790 115.790 119.978 -4.188 17578 11236 1 20 . 1 1 87 87 VAL HA H 122 5.203 5.203 4.248 0.955 17578 11237 1 20 . 1 1 87 87 VAL CA C 122 59.412 59.412 61.768 -2.356 17578 11238 1 20 . 1 1 87 87 VAL CB C 122 32.729 32.729 31.830 0.899 17578 11239 1 20 . 1 1 87 87 VAL H H 122 7.082 7.082 7.614 -0.532 17578 11240 1 20 . 1 1 88 88 VAL N N 123 119.313 119.313 127.319 -8.006 17578 11241 1 20 . 1 1 88 88 VAL HA H 123 5.097 5.097 5.140 -0.043 17578 11242 1 20 . 1 1 88 88 VAL C C 123 172.990 172.990 173.903 -0.913 17578 11243 1 20 . 1 1 88 88 VAL CA C 123 58.925 58.925 59.770 -0.845 17578 11244 1 20 . 1 1 88 88 VAL CB C 123 35.929 35.929 34.879 1.050 17578 11245 1 20 . 1 1 88 88 VAL H H 123 8.948 8.948 8.315 0.633 17578 11246 1 20 . 1 1 89 89 PHE N N 124 122.616 122.616 128.013 -5.397 17578 11247 1 20 . 1 1 89 89 PHE HA H 124 5.641 5.641 5.482 0.159 17578 11248 1 20 . 1 1 89 89 PHE C C 124 174.686 174.686 173.091 1.595 17578 11249 1 20 . 1 1 89 89 PHE CA C 124 52.579 52.579 54.321 -1.742 17578 11250 1 20 . 1 1 89 89 PHE CB C 124 42.392 42.392 42.489 -0.097 17578 11251 1 20 . 1 1 89 89 PHE H H 124 9.065 9.065 9.155 -0.090 17578 11252 1 20 . 1 1 90 90 ILE N N 125 127.599 127.599 122.870 4.729 17578 11253 1 20 . 1 1 90 90 ILE HA H 125 4.268 4.268 4.001 0.267 17578 11254 1 20 . 1 1 90 90 ILE C C 125 173.652 173.652 174.332 -0.680 17578 11255 1 20 . 1 1 90 90 ILE CA C 125 61.605 61.605 59.802 1.803 17578 11256 1 20 . 1 1 90 90 ILE CB C 125 39.533 39.533 37.744 1.789 17578 11257 1 20 . 1 1 90 90 ILE H H 125 9.498 9.498 8.891 0.607 17578 11258 1 20 . 1 1 91 91 VAL N N 126 126.693 126.693 128.390 -1.697 17578 11259 1 20 . 1 1 91 91 VAL HA H 126 4.595 4.595 4.636 -0.041 17578 11260 1 20 . 1 1 91 91 VAL CA C 126 58.380 58.380 57.551 0.829 17578 11261 1 20 . 1 1 91 91 VAL CB C 126 32.597 32.597 35.691 -3.094 17578 11262 1 20 . 1 1 91 91 VAL H H 126 8.169 8.169 8.423 -0.254 17578 11263 1 20 . 1 1 92 92 PRO HA H 127 4.044 4.044 4.467 -0.423 17578 11264 1 20 . 1 1 92 92 PRO CA C 127 63.380 63.380 62.792 0.588 17578 11265 1 20 . 1 1 92 92 PRO CB C 127 31.735 31.735 29.776 1.959 17578 11266 1 20 . 1 1 93 93 GLY N N 128 108.589 108.589 111.530 -2.941 17578 11267 1 20 . 1 1 93 93 GLY CA C 128 45.443 45.443 46.151 -0.708 17578 11268 1 20 . 1 1 93 93 GLY H H 128 8.022 8.022 8.580 -0.558 17578 11269 1 20 . 1 1 94 94 SER N N 129 113.115 113.115 117.452 -4.337 17578 11270 1 20 . 1 1 94 94 SER H H 129 7.992 7.992 8.050 -0.058 17578 11271 1 20 . 1 1 95 95 ASN N N 130 120.738 120.738 123.975 -3.237 17578 11272 1 20 . 1 1 95 95 ASN C C 130 178.419 178.419 176.440 1.979 17578 11273 1 20 . 1 1 95 95 ASN CA C 130 57.337 57.337 56.310 1.027 17578 11274 1 20 . 1 1 95 95 ASN CB C 130 41.958 41.958 38.412 3.546 17578 11275 1 20 . 1 1 95 95 ASN H H 130 8.313 8.313 8.962 -0.649 17578 11276 1 20 . 1 1 96 96 LYS N N 131 119.159 119.159 120.565 -1.406 17578 11277 1 20 . 1 1 96 96 LYS HA H 131 4.021 4.021 4.195 -0.174 17578 11278 1 20 . 1 1 96 96 LYS CA C 131 58.749 58.749 58.588 0.161 17578 11279 1 20 . 1 1 96 96 LYS CB C 131 29.565 29.565 32.374 -2.809 17578 11280 1 20 . 1 1 96 96 LYS H H 131 7.881 7.881 8.081 -0.200 17578 11281 1 20 . 1 1 97 97 LYS N N 132 117.399 117.399 120.074 -2.675 17578 11282 1 20 . 1 1 97 97 LYS CA C 132 58.413 58.413 58.850 -0.438 17578 11283 1 20 . 1 1 97 97 LYS CB C 132 30.694 30.694 31.713 -1.019 17578 11284 1 20 . 1 1 97 97 LYS H H 132 7.765 7.765 8.207 -0.442 17578 11285 1 20 . 1 1 98 98 LYS N N 133 119.160 119.160 116.476 2.684 17578 11286 1 20 . 1 1 98 98 LYS CA C 133 58.266 58.266 58.606 -0.341 17578 11287 1 20 . 1 1 98 98 LYS CB C 133 30.981 30.981 31.868 -0.887 17578 11288 1 20 . 1 1 98 98 LYS H H 133 8.070 8.070 7.539 0.531 17578 11289 1 20 . 1 1 99 99 ASP N N 134 120.602 120.602 119.932 0.670 17578 11290 1 20 . 1 1 99 99 ASP CA C 134 55.586 55.586 53.530 2.056 17578 11291 1 20 . 1 1 99 99 ASP CB C 134 41.898 41.898 40.731 1.167 17578 11292 1 20 . 1 1 99 99 ASP H H 134 8.255 8.255 7.635 0.620 17578 11293 1 20 . 1 1 100 100 GLY N N 135 108.785 108.785 108.115 0.670 17578 11294 1 20 . 1 1 100 100 GLY CA C 135 45.536 45.536 44.661 0.875 17578 11295 1 20 . 1 1 100 100 GLY H H 135 8.451 8.451 7.641 0.810 17578 11296 1 20 . 1 1 101 101 LYS N N 136 120.171 120.171 118.771 1.400 17578 11297 1 20 . 1 1 101 101 LYS H H 136 8.127 8.127 8.293 -0.166 17578 11298 1 20 . 1 1 102 102 ASN N N 137 118.588 118.588 118.688 -0.100 17578 11299 1 20 . 1 1 102 102 ASN H H 137 8.481 8.481 7.792 0.689 17578 11300 1 20 . 1 1 103 103 LYS N N 138 121.739 121.739 120.186 1.553 17578 11301 1 20 . 1 1 103 103 LYS HA H 138 4.241 4.241 3.938 0.303 17578 11302 1 20 . 1 1 103 103 LYS CA C 138 56.760 56.760 58.895 -2.135 17578 11303 1 20 . 1 1 103 103 LYS CB C 138 32.691 32.691 31.446 1.245 17578 11304 1 20 . 1 1 103 103 LYS H H 138 8.318 8.318 8.532 -0.214 17578 11305 1 20 . 1 1 104 104 GLU N N 139 120.980 120.980 118.861 2.119 17578 11306 1 20 . 1 1 104 104 GLU CA C 139 57.235 57.235 59.476 -2.241 17578 11307 1 20 . 1 1 104 104 GLU CB C 139 29.893 29.893 29.142 0.751 17578 11308 1 20 . 1 1 104 104 GLU H H 139 8.478 8.478 8.547 -0.069 17578 11309 1 20 . 1 1 107 107 TYR N N 142 119.214 119.214 118.972 0.242 17578 11310 1 20 . 1 1 107 107 TYR HA H 142 5.023 5.023 3.926 1.097 17578 11311 1 20 . 1 1 107 107 TYR C C 142 175.419 175.419 177.889 -2.470 17578 11312 1 20 . 1 1 107 107 TYR CA C 142 57.200 57.200 60.410 -3.210 17578 11313 1 20 . 1 1 107 107 TYR CB C 142 39.165 39.165 37.777 1.388 17578 11314 1 20 . 1 1 107 107 TYR H H 142 7.992 7.992 8.582 -0.590 17578 11315 1 20 . 1 1 108 108 LYS N N 143 123.500 123.500 119.086 4.414 17578 11316 1 20 . 1 1 108 108 LYS HA H 143 3.628 3.628 4.162 -0.534 17578 11317 1 20 . 1 1 108 108 LYS CA C 143 59.619 59.619 59.796 -0.177 17578 11318 1 20 . 1 1 108 108 LYS CB C 143 31.869 31.869 32.324 -0.455 17578 11319 1 20 . 1 1 108 108 LYS H H 143 7.377 7.377 8.162 -0.785 17578 11320 1 20 . 1 1 109 109 GLU N N 144 118.669 118.669 119.366 -0.697 17578 11321 1 20 . 1 1 109 109 GLU HA H 144 4.735 4.735 4.025 0.710 17578 11322 1 20 . 1 1 109 109 GLU CA C 144 59.865 59.865 59.586 0.279 17578 11323 1 20 . 1 1 109 109 GLU CB C 144 29.004 29.004 29.321 -0.317 17578 11324 1 20 . 1 1 109 109 GLU H H 144 8.583 8.583 8.153 0.430 17578 11325 1 20 . 1 1 110 110 SER N N 145 116.081 116.081 115.402 0.679 17578 11326 1 20 . 1 1 110 110 SER HA H 145 4.448 4.448 4.203 0.245 17578 11327 1 20 . 1 1 110 110 SER CB C 145 64.178 64.178 62.857 1.321 17578 11328 1 20 . 1 1 110 110 SER H H 145 8.117 8.117 7.861 0.256 17578 11329 1 20 . 1 1 111 111 PHE N N 146 122.134 122.134 122.331 -0.197 17578 11330 1 20 . 1 1 111 111 PHE HA H 146 4.022 4.022 4.123 -0.101 17578 11331 1 20 . 1 1 111 111 PHE C C 146 175.751 175.751 177.513 -1.762 17578 11332 1 20 . 1 1 111 111 PHE CA C 146 62.159 62.159 60.859 1.300 17578 11333 1 20 . 1 1 111 111 PHE CB C 146 39.533 39.533 38.130 1.403 17578 11334 1 20 . 1 1 111 111 PHE H H 146 8.553 8.553 8.048 0.505 17578 11335 1 20 . 1 1 112 112 ASN N N 147 117.856 117.856 117.447 0.409 17578 11336 1 20 . 1 1 112 112 ASN HA H 147 4.269 4.269 4.386 -0.117 17578 11337 1 20 . 1 1 112 112 ASN CA C 147 55.881 55.881 56.532 -0.651 17578 11338 1 20 . 1 1 112 112 ASN CB C 147 37.663 37.663 38.533 -0.871 17578 11339 1 20 . 1 1 112 112 ASN H H 147 8.809 8.809 8.499 0.310 17578 11340 1 20 . 1 1 113 113 GLU N N 148 119.708 119.708 120.437 -0.729 17578 11341 1 20 . 1 1 113 113 GLU HA H 148 4.021 4.021 4.057 -0.036 17578 11342 1 20 . 1 1 113 113 GLU CA C 148 59.385 59.385 59.255 0.130 17578 11343 1 20 . 1 1 113 113 GLU CB C 148 29.784 29.784 29.244 0.540 17578 11344 1 20 . 1 1 113 113 GLU H H 148 7.778 7.778 8.003 -0.225 17578 11345 1 20 . 1 1 114 114 VAL N N 149 119.680 119.680 119.565 0.115 17578 11346 1 20 . 1 1 114 114 VAL HA H 149 3.556 3.556 3.845 -0.289 17578 11347 1 20 . 1 1 114 114 VAL CA C 149 66.625 66.625 66.059 0.565 17578 11348 1 20 . 1 1 114 114 VAL CB C 149 31.368 31.368 31.265 0.103 17578 11349 1 20 . 1 1 114 114 VAL H H 149 8.023 8.023 8.173 -0.150 17578 11350 1 20 . 1 1 115 115 VAL N N 150 119.684 119.684 117.267 2.417 17578 11351 1 20 . 1 1 115 115 VAL HA H 150 3.163 3.163 3.813 -0.650 17578 11352 1 20 . 1 1 115 115 VAL C C 150 177.270 177.270 178.173 -0.903 17578 11353 1 20 . 1 1 115 115 VAL CA C 150 67.984 67.984 65.566 2.418 17578 11354 1 20 . 1 1 115 115 VAL CB C 150 30.848 30.848 30.576 0.272 17578 11355 1 20 . 1 1 115 115 VAL H H 150 8.480 8.480 8.139 0.341 17578 11356 1 20 . 1 1 116 116 LYS N N 151 118.648 118.648 120.763 -2.115 17578 11357 1 20 . 1 1 116 116 LYS HA H 151 4.027 4.027 4.129 -0.102 17578 11358 1 20 . 1 1 116 116 LYS CA C 151 59.691 59.691 59.062 0.629 17578 11359 1 20 . 1 1 116 116 LYS CB C 151 32.346 32.346 31.975 0.371 17578 11360 1 20 . 1 1 116 116 LYS H H 151 7.584 7.584 8.170 -0.586 17578 11361 1 20 . 1 1 117 117 GLU N N 152 120.177 120.177 120.409 -0.232 17578 11362 1 20 . 1 1 117 117 GLU HA H 152 4.046 4.046 3.971 0.075 17578 11363 1 20 . 1 1 117 117 GLU CA C 152 59.932 59.932 59.770 0.162 17578 11364 1 20 . 1 1 117 117 GLU CB C 152 29.663 29.663 29.746 -0.083 17578 11365 1 20 . 1 1 117 117 GLU H H 152 7.528 7.528 7.838 -0.310 17578 11366 1 20 . 1 1 118 118 VAL N N 153 120.413 120.413 119.533 0.880 17578 11367 1 20 . 1 1 118 118 VAL HA H 153 3.421 3.421 3.891 -0.470 17578 11368 1 20 . 1 1 118 118 VAL CA C 153 67.196 67.196 65.879 1.317 17578 11369 1 20 . 1 1 118 118 VAL CB C 153 31.600 31.600 31.943 -0.343 17578 11370 1 20 . 1 1 118 118 VAL H H 153 8.665 8.665 8.022 0.643 17578 11371 1 20 . 1 1 119 119 GLN N N 154 118.232 118.232 119.831 -1.599 17578 11372 1 20 . 1 1 119 119 GLN HA H 154 3.982 3.982 4.141 -0.159 17578 11373 1 20 . 1 1 119 119 GLN CA C 154 59.651 59.651 58.013 1.639 17578 11374 1 20 . 1 1 119 119 GLN CB C 154 28.478 28.478 29.202 -0.724 17578 11375 1 20 . 1 1 119 119 GLN H H 154 8.950 8.950 7.858 1.092 17578 11376 1 20 . 1 1 120 120 ALA N N 155 120.568 120.568 121.401 -0.833 17578 11377 1 20 . 1 1 120 120 ALA HA H 155 4.223 4.223 4.317 -0.094 17578 11378 1 20 . 1 1 120 120 ALA CA C 155 55.071 55.071 52.617 2.454 17578 11379 1 20 . 1 1 120 120 ALA CB C 155 17.952 17.952 19.570 -1.618 17578 11380 1 20 . 1 1 120 120 ALA H H 155 7.486 7.486 8.044 -0.558 17578 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 107 3.189 0.437 3.173 17578 2 1 1 "Average Difference" HA 112 0.412 -0.062 0.410 17578 3 1 1 "Average Difference" C 51 1.263 0.272 1.246 17578 4 1 1 "Average Difference" CA 107 1.449 -0.132 1.449 17578 5 1 1 "Average Difference" CB 101 1.474 -0.183 1.470 17578 6 1 1 "Average Difference" HN 107 0.567 0.018 0.569 17578 7 1 2 "Average Difference" N 107 3.100 0.515 3.071 17578 8 1 2 "Average Difference" HA 112 0.412 -0.038 0.412 17578 9 1 2 "Average Difference" C 51 1.245 0.310 1.218 17578 10 1 2 "Average Difference" CA 107 1.509 -0.079 1.514 17578 11 1 2 "Average Difference" CB 101 1.163 -0.109 1.164 17578 12 1 2 "Average Difference" HN 107 0.552 0.068 0.550 17578 13 1 3 "Average Difference" N 107 3.261 0.372 3.255 17578 14 1 3 "Average Difference" HA 112 0.423 -0.032 0.423 17578 15 1 3 "Average Difference" C 51 1.208 0.275 1.188 17578 16 1 3 "Average Difference" CA 107 1.496 -0.103 1.499 17578 17 1 3 "Average Difference" CB 101 1.352 -0.151 1.350 17578 18 1 3 "Average Difference" HN 107 0.542 0.032 0.544 17578 19 1 4 "Average Difference" N 107 3.316 0.337 3.314 17578 20 1 4 "Average Difference" HA 112 0.415 -0.033 0.415 17578 21 1 4 "Average Difference" C 51 1.250 0.318 1.221 17578 22 1 4 "Average Difference" CA 107 1.628 -0.035 1.635 17578 23 1 4 "Average Difference" CB 101 1.360 -0.086 1.364 17578 24 1 4 "Average Difference" HN 107 0.525 0.049 0.526 17578 25 1 5 "Average Difference" N 107 3.270 0.346 3.267 17578 26 1 5 "Average Difference" HA 112 0.420 -0.022 0.421 17578 27 1 5 "Average Difference" C 51 1.274 0.344 1.239 17578 28 1 5 "Average Difference" CA 107 1.534 -0.081 1.539 17578 29 1 5 "Average Difference" CB 101 1.244 -0.081 1.248 17578 30 1 5 "Average Difference" HN 107 0.519 0.065 0.517 17578 31 1 6 "Average Difference" N 107 3.113 0.562 3.076 17578 32 1 6 "Average Difference" HA 112 0.425 -0.014 0.427 17578 33 1 6 "Average Difference" C 51 1.219 0.298 1.194 17578 34 1 6 "Average Difference" CA 107 1.611 -0.037 1.618 17578 35 1 6 "Average Difference" CB 101 1.316 -0.074 1.320 17578 36 1 6 "Average Difference" HN 107 0.521 0.040 0.522 17578 37 1 7 "Average Difference" N 107 3.080 0.447 3.062 17578 38 1 7 "Average Difference" HA 112 0.414 -0.041 0.414 17578 39 1 7 "Average Difference" C 51 1.225 0.368 1.180 17578 40 1 7 "Average Difference" CA 107 1.590 -0.100 1.595 17578 41 1 7 "Average Difference" CB 101 1.245 -0.137 1.244 17578 42 1 7 "Average Difference" HN 107 0.526 0.035 0.527 17578 43 1 8 "Average Difference" N 107 3.137 0.410 3.124 17578 44 1 8 "Average Difference" HA 112 0.424 -0.015 0.426 17578 45 1 8 "Average Difference" C 51 1.305 0.307 1.280 17578 46 1 8 "Average Difference" CA 107 1.588 -0.077 1.593 17578 47 1 8 "Average Difference" CB 101 1.243 -0.091 1.246 17578 48 1 8 "Average Difference" HN 107 0.546 0.041 0.547 17578 49 1 9 "Average Difference" N 107 3.138 0.553 3.104 17578 50 1 9 "Average Difference" HA 112 0.422 -0.025 0.423 17578 51 1 9 "Average Difference" C 51 1.205 0.234 1.194 17578 52 1 9 "Average Difference" CA 107 1.578 -0.136 1.580 17578 53 1 9 "Average Difference" CB 101 1.342 -0.097 1.345 17578 54 1 9 "Average Difference" HN 107 0.531 0.074 0.528 17578 55 1 10 "Average Difference" N 107 3.333 0.513 3.308 17578 56 1 10 "Average Difference" HA 112 0.417 -0.047 0.416 17578 57 1 10 "Average Difference" C 51 1.196 0.298 1.170 17578 58 1 10 "Average Difference" CA 107 1.630 -0.101 1.635 17578 59 1 10 "Average Difference" CB 101 1.390 -0.154 1.389 17578 60 1 10 "Average Difference" HN 107 0.532 0.040 0.533 17578 61 1 11 "Average Difference" N 107 3.173 0.716 3.106 17578 62 1 11 "Average Difference" HA 112 0.413 -0.014 0.414 17578 63 1 11 "Average Difference" C 51 1.195 0.314 1.164 17578 64 1 11 "Average Difference" CA 107 1.560 -0.034 1.567 17578 65 1 11 "Average Difference" CB 101 1.281 -0.132 1.280 17578 66 1 11 "Average Difference" HN 107 0.522 0.063 0.520 17578 67 1 12 "Average Difference" N 107 3.223 0.287 3.225 17578 68 1 12 "Average Difference" HA 112 0.421 -0.045 0.420 17578 69 1 12 "Average Difference" C 51 1.161 0.321 1.127 17578 70 1 12 "Average Difference" CA 107 1.482 -0.084 1.487 17578 71 1 12 "Average Difference" CB 101 1.392 -0.131 1.392 17578 72 1 12 "Average Difference" HN 107 0.546 0.041 0.547 17578 73 1 13 "Average Difference" N 107 3.435 0.554 3.406 17578 74 1 13 "Average Difference" HA 112 0.436 -0.024 0.437 17578 75 1 13 "Average Difference" C 51 1.235 0.304 1.209 17578 76 1 13 "Average Difference" CA 107 1.505 -0.126 1.507 17578 77 1 13 "Average Difference" CB 101 1.368 -0.075 1.373 17578 78 1 13 "Average Difference" HN 107 0.521 0.034 0.522 17578 79 1 14 "Average Difference" N 107 2.954 0.400 2.941 17578 80 1 14 "Average Difference" HA 112 0.421 -0.019 0.422 17578 81 1 14 "Average Difference" C 51 1.216 0.348 1.176 17578 82 1 14 "Average Difference" CA 107 1.571 -0.079 1.576 17578 83 1 14 "Average Difference" CB 101 1.362 -0.103 1.365 17578 84 1 14 "Average Difference" HN 107 0.535 0.057 0.534 17578 85 1 15 "Average Difference" N 107 3.299 0.428 3.287 17578 86 1 15 "Average Difference" HA 112 0.428 -0.033 0.429 17578 87 1 15 "Average Difference" C 51 1.266 0.261 1.251 17578 88 1 15 "Average Difference" CA 107 1.581 -0.127 1.583 17578 89 1 15 "Average Difference" CB 101 1.234 -0.145 1.231 17578 90 1 15 "Average Difference" HN 107 0.526 0.056 0.525 17578 91 1 16 "Average Difference" N 107 3.152 0.454 3.133 17578 92 1 16 "Average Difference" HA 112 0.413 -0.004 0.415 17578 93 1 16 "Average Difference" C 51 1.232 0.262 1.215 17578 94 1 16 "Average Difference" CA 107 1.583 -0.137 1.585 17578 95 1 16 "Average Difference" CB 101 1.200 -0.107 1.201 17578 96 1 16 "Average Difference" HN 107 0.545 0.067 0.544 17578 97 1 17 "Average Difference" N 107 3.001 0.431 2.983 17578 98 1 17 "Average Difference" HA 112 0.426 -0.032 0.427 17578 99 1 17 "Average Difference" C 51 1.239 0.306 1.212 17578 100 1 17 "Average Difference" CA 107 1.541 -0.108 1.544 17578 101 1 17 "Average Difference" CB 101 1.357 -0.162 1.354 17578 102 1 17 "Average Difference" HN 107 0.529 0.033 0.531 17578 103 1 18 "Average Difference" N 107 3.240 0.567 3.205 17578 104 1 18 "Average Difference" HA 112 0.407 -0.027 0.408 17578 105 1 18 "Average Difference" C 51 1.305 0.302 1.282 17578 106 1 18 "Average Difference" CA 107 1.499 -0.157 1.498 17578 107 1 18 "Average Difference" CB 101 1.332 -0.135 1.332 17578 108 1 18 "Average Difference" HN 107 0.543 0.025 0.545 17578 109 1 19 "Average Difference" N 107 2.977 0.506 2.948 17578 110 1 19 "Average Difference" HA 112 0.424 -0.024 0.426 17578 111 1 19 "Average Difference" C 51 1.237 0.389 1.186 17578 112 1 19 "Average Difference" CA 107 1.620 -0.057 1.627 17578 113 1 19 "Average Difference" CB 101 1.302 -0.145 1.300 17578 114 1 19 "Average Difference" HN 107 0.544 0.038 0.545 17578 115 1 20 "Average Difference" N 107 3.128 0.596 3.086 17578 116 1 20 "Average Difference" HA 112 0.433 -0.004 0.434 17578 117 1 20 "Average Difference" C 51 1.275 0.250 1.263 17578 118 1 20 "Average Difference" CA 107 1.611 -0.101 1.615 17578 119 1 20 "Average Difference" CB 101 1.288 -0.027 1.295 17578 120 1 20 "Average Difference" HN 107 0.550 0.029 0.552 17578 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 17578 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 LYS N N 37 124.035 124.035 122.563 1.472 17578 2 1 . 1 1 2 2 LYS HA H 37 4.064 4.064 4.235 -0.171 17578 3 1 . 1 1 2 2 LYS H H 37 7.786 7.786 8.469 -0.683 17578 4 1 . 1 1 3 3 LYS HA H 38 4.026 4.026 4.178 -0.152 17578 5 1 . 1 1 3 3 LYS C C 38 179.176 179.176 178.328 0.848 17578 6 1 . 1 1 3 3 LYS CA C 38 59.781 59.781 58.542 1.239 17578 7 1 . 1 1 3 3 LYS CB C 38 32.626 32.626 31.824 0.802 17578 8 1 . 1 1 4 4 LEU N N 39 122.003 122.003 120.635 1.368 17578 9 1 . 1 1 4 4 LEU HA H 39 4.159 4.159 3.947 0.212 17578 10 1 . 1 1 4 4 LEU C C 39 178.232 178.232 178.444 -0.212 17578 11 1 . 1 1 4 4 LEU CA C 39 57.470 57.470 58.479 -1.008 17578 12 1 . 1 1 4 4 LEU CB C 39 40.343 40.343 41.458 -1.115 17578 13 1 . 1 1 4 4 LEU H H 39 7.877 7.877 8.062 -0.185 17578 14 1 . 1 1 5 5 ASN N N 40 118.692 118.692 116.654 2.038 17578 15 1 . 1 1 5 5 ASN HA H 40 3.997 3.997 4.328 -0.331 17578 16 1 . 1 1 5 5 ASN C C 40 176.054 176.054 177.450 -1.396 17578 17 1 . 1 1 5 5 ASN CA C 40 57.622 57.622 56.347 1.275 17578 18 1 . 1 1 5 5 ASN CB C 40 40.113 40.113 38.012 2.101 17578 19 1 . 1 1 5 5 ASN H H 40 9.313 9.313 8.030 1.283 17578 20 1 . 1 1 6 6 LYS N N 41 115.497 115.497 120.560 -5.063 17578 21 1 . 1 1 6 6 LYS HA H 41 3.928 3.928 3.949 -0.021 17578 22 1 . 1 1 6 6 LYS C C 41 179.133 179.133 179.012 0.122 17578 23 1 . 1 1 6 6 LYS CA C 41 59.909 59.909 59.378 0.531 17578 24 1 . 1 1 6 6 LYS CB C 41 32.256 32.256 32.060 0.196 17578 25 1 . 1 1 6 6 LYS H H 41 7.230 7.230 7.595 -0.365 17578 26 1 . 1 1 7 7 LYS N N 42 118.961 118.961 119.438 -0.477 17578 27 1 . 1 1 7 7 LYS HA H 42 4.040 4.040 4.015 0.025 17578 28 1 . 1 1 7 7 LYS C C 42 180.272 180.272 179.190 1.082 17578 29 1 . 1 1 7 7 LYS CA C 42 59.988 59.988 59.439 0.549 17578 30 1 . 1 1 7 7 LYS CB C 42 33.462 33.462 32.207 1.255 17578 31 1 . 1 1 7 7 LYS H H 42 7.367 7.367 8.144 -0.777 17578 32 1 . 1 1 8 8 VAL N N 43 122.400 122.400 119.647 2.753 17578 33 1 . 1 1 8 8 VAL HA H 43 3.303 3.303 3.926 -0.623 17578 34 1 . 1 1 8 8 VAL CA C 43 67.430 67.430 66.726 0.704 17578 35 1 . 1 1 8 8 VAL CB C 43 31.374 31.374 31.542 -0.168 17578 36 1 . 1 1 8 8 VAL H H 43 9.215 9.215 8.191 1.024 17578 37 1 . 1 1 9 9 LEU N N 44 119.626 119.626 121.511 -1.885 17578 38 1 . 1 1 9 9 LEU HA H 44 3.833 3.833 4.071 -0.238 17578 39 1 . 1 1 9 9 LEU CA C 44 58.453 58.453 58.174 0.279 17578 40 1 . 1 1 9 9 LEU CB C 44 41.171 41.171 41.631 -0.460 17578 41 1 . 1 1 9 9 LEU H H 44 8.471 8.471 8.306 0.165 17578 42 1 . 1 1 10 10 LYS N N 45 119.761 119.761 118.285 1.476 17578 43 1 . 1 1 10 10 LYS HA H 45 4.026 4.026 4.030 -0.004 17578 44 1 . 1 1 10 10 LYS CA C 45 59.919 59.919 59.325 0.593 17578 45 1 . 1 1 10 10 LYS CB C 45 32.430 32.430 31.740 0.690 17578 46 1 . 1 1 10 10 LYS H H 45 7.883 7.883 8.290 -0.407 17578 47 1 . 1 1 11 11 THR N N 46 116.469 116.469 117.545 -1.076 17578 48 1 . 1 1 11 11 THR HA H 46 4.339 4.339 3.750 0.589 17578 49 1 . 1 1 11 11 THR C C 46 175.987 175.987 176.369 -0.382 17578 50 1 . 1 1 11 11 THR CB C 46 68.013 68.013 68.292 -0.279 17578 51 1 . 1 1 11 11 THR H H 46 7.805 7.805 8.037 -0.232 17578 52 1 . 1 1 12 12 VAL N N 47 121.907 121.907 121.452 0.455 17578 53 1 . 1 1 12 12 VAL HA H 47 3.232 3.232 3.925 -0.693 17578 54 1 . 1 1 12 12 VAL CA C 47 67.331 67.331 65.889 1.442 17578 55 1 . 1 1 12 12 VAL CB C 47 31.438 31.438 31.733 -0.295 17578 56 1 . 1 1 12 12 VAL H H 47 8.782 8.782 8.384 0.398 17578 57 1 . 1 1 13 13 LYS N N 48 122.393 122.393 119.279 3.114 17578 58 1 . 1 1 13 13 LYS HA H 48 4.258 4.258 4.021 0.237 17578 59 1 . 1 1 13 13 LYS C C 48 179.808 179.808 178.912 0.896 17578 60 1 . 1 1 13 13 LYS CA C 48 59.999 59.999 59.479 0.520 17578 61 1 . 1 1 13 13 LYS CB C 48 32.553 32.553 32.179 0.374 17578 62 1 . 1 1 13 13 LYS H H 48 8.171 8.171 7.990 0.181 17578 63 1 . 1 1 14 14 LYS N N 49 118.852 118.852 118.419 0.433 17578 64 1 . 1 1 14 14 LYS HA H 49 3.973 3.973 4.149 -0.176 17578 65 1 . 1 1 14 14 LYS CA C 49 59.811 59.811 58.630 1.181 17578 66 1 . 1 1 14 14 LYS CB C 49 33.389 33.389 32.518 0.871 17578 67 1 . 1 1 14 14 LYS H H 49 7.941 7.941 7.815 0.126 17578 68 1 . 1 1 15 15 ALA N N 50 122.047 122.047 122.084 -0.037 17578 69 1 . 1 1 15 15 ALA HA H 50 3.496 3.496 4.064 -0.568 17578 70 1 . 1 1 15 15 ALA CA C 50 54.709 54.709 54.573 0.136 17578 71 1 . 1 1 15 15 ALA CB C 50 18.917 18.917 17.963 0.954 17578 72 1 . 1 1 15 15 ALA H H 50 8.544 8.544 8.065 0.479 17578 73 1 . 1 1 16 16 SER N N 51 116.561 116.561 114.341 2.220 17578 74 1 . 1 1 16 16 SER HA H 51 4.730 4.730 4.119 0.611 17578 75 1 . 1 1 16 16 SER C C 51 178.560 178.560 176.733 1.827 17578 76 1 . 1 1 16 16 SER CA C 51 61.680 61.680 61.601 0.079 17578 77 1 . 1 1 16 16 SER CB C 51 62.551 62.551 62.942 -0.391 17578 78 1 . 1 1 16 16 SER H H 51 8.551 8.551 8.209 0.342 17578 79 1 . 1 1 17 17 LYS N N 52 124.890 124.890 121.171 3.719 17578 80 1 . 1 1 17 17 LYS HA H 52 4.072 4.072 4.113 -0.041 17578 81 1 . 1 1 17 17 LYS C C 52 177.377 177.377 177.426 -0.049 17578 82 1 . 1 1 17 17 LYS CA C 52 58.931 58.931 58.309 0.622 17578 83 1 . 1 1 17 17 LYS CB C 52 31.961 31.961 32.321 -0.359 17578 84 1 . 1 1 17 17 LYS H H 52 7.578 7.578 7.699 -0.121 17578 85 1 . 1 1 18 18 ALA N N 53 118.628 118.628 119.000 -0.372 17578 86 1 . 1 1 18 18 ALA HA H 53 4.285 4.285 4.357 -0.072 17578 87 1 . 1 1 18 18 ALA C C 53 175.061 175.061 176.627 -1.566 17578 88 1 . 1 1 18 18 ALA CA C 53 51.822 51.822 51.633 0.189 17578 89 1 . 1 1 18 18 ALA CB C 53 19.390 19.390 19.074 0.316 17578 90 1 . 1 1 18 18 ALA H H 53 7.112 7.112 7.555 -0.443 17578 91 1 . 1 1 19 19 LYS N N 54 111.984 111.984 116.190 -4.206 17578 92 1 . 1 1 19 19 LYS HA H 54 4.026 4.026 3.967 0.059 17578 93 1 . 1 1 19 19 LYS CA C 54 57.222 57.222 57.211 0.011 17578 94 1 . 1 1 19 19 LYS CB C 54 28.387 28.387 30.075 -1.688 17578 95 1 . 1 1 19 19 LYS H H 54 7.653 7.653 7.813 -0.160 17578 96 1 . 1 1 20 20 ASN N N 55 116.088 116.088 114.956 1.132 17578 97 1 . 1 1 20 20 ASN HA H 55 5.102 5.102 4.764 0.338 17578 98 1 . 1 1 20 20 ASN C C 55 172.975 172.975 174.168 -1.193 17578 99 1 . 1 1 20 20 ASN CA C 55 51.215 51.215 52.974 -1.759 17578 100 1 . 1 1 20 20 ASN CB C 55 40.316 40.316 39.436 0.880 17578 101 1 . 1 1 20 20 ASN H H 55 8.118 8.118 7.764 0.354 17578 102 1 . 1 1 21 21 VAL N N 56 114.959 114.959 118.475 -3.516 17578 103 1 . 1 1 21 21 VAL HA H 56 4.938 4.938 4.086 0.852 17578 104 1 . 1 1 21 21 VAL C C 56 175.409 175.409 174.007 1.403 17578 105 1 . 1 1 21 21 VAL CA C 56 60.901 60.901 60.557 0.344 17578 106 1 . 1 1 21 21 VAL CB C 56 35.368 35.368 34.237 1.131 17578 107 1 . 1 1 21 21 VAL H H 56 7.628 7.628 7.480 0.148 17578 108 1 . 1 1 22 22 LYS N N 57 126.485 126.485 126.277 0.208 17578 109 1 . 1 1 22 22 LYS HA H 57 4.712 4.712 4.669 0.043 17578 110 1 . 1 1 22 22 LYS C C 57 175.394 175.394 174.469 0.925 17578 111 1 . 1 1 22 22 LYS CA C 57 54.485 54.485 53.934 0.551 17578 112 1 . 1 1 22 22 LYS CB C 57 33.669 33.669 36.318 -2.649 17578 113 1 . 1 1 22 22 LYS H H 57 8.987 8.987 8.539 0.448 17578 114 1 . 1 1 23 23 ARG N N 58 122.011 122.011 120.265 1.746 17578 115 1 . 1 1 23 23 ARG HA H 58 4.837 4.837 4.979 -0.142 17578 116 1 . 1 1 23 23 ARG C C 58 175.930 175.930 175.749 0.181 17578 117 1 . 1 1 23 23 ARG CA C 58 55.872 55.872 55.026 0.846 17578 118 1 . 1 1 23 23 ARG CB C 58 33.513 33.513 32.472 1.041 17578 119 1 . 1 1 23 23 ARG H H 58 9.024 9.024 8.614 0.410 17578 120 1 . 1 1 24 24 GLY N N 59 111.007 111.007 111.583 -0.576 17578 121 1 . 1 1 24 24 GLY CA C 59 44.790 44.790 44.795 -0.005 17578 122 1 . 1 1 24 24 GLY H H 59 8.315 8.315 8.885 -0.570 17578 123 1 . 1 1 25 25 VAL N N 60 119.423 119.423 121.897 -2.474 17578 124 1 . 1 1 25 25 VAL HA H 60 3.156 3.156 3.556 -0.400 17578 125 1 . 1 1 25 25 VAL C C 60 176.562 176.562 176.874 -0.312 17578 126 1 . 1 1 25 25 VAL CA C 60 68.037 68.037 65.457 2.580 17578 127 1 . 1 1 25 25 VAL CB C 60 32.050 32.050 31.973 0.077 17578 128 1 . 1 1 25 25 VAL H H 60 8.152 8.152 8.569 -0.417 17578 129 1 . 1 1 26 26 LYS N N 61 117.316 117.316 118.675 -1.359 17578 130 1 . 1 1 26 26 LYS HA H 61 3.919 3.919 4.041 -0.122 17578 131 1 . 1 1 26 26 LYS C C 61 180.130 180.130 178.532 1.598 17578 132 1 . 1 1 26 26 LYS CA C 61 60.157 60.157 59.539 0.618 17578 133 1 . 1 1 26 26 LYS CB C 61 32.041 32.041 31.944 0.098 17578 134 1 . 1 1 26 26 LYS H H 61 8.156 8.156 8.534 -0.378 17578 135 1 . 1 1 27 27 GLU N N 62 117.535 117.535 119.174 -1.639 17578 136 1 . 1 1 27 27 GLU HA H 62 3.961 3.961 4.181 -0.221 17578 137 1 . 1 1 27 27 GLU CA C 62 58.787 58.787 59.155 -0.368 17578 138 1 . 1 1 27 27 GLU CB C 62 29.843 29.843 29.311 0.532 17578 139 1 . 1 1 27 27 GLU H H 62 8.531 8.531 7.745 0.786 17578 140 1 . 1 1 28 28 VAL N N 63 120.589 120.589 117.535 3.054 17578 141 1 . 1 1 28 28 VAL HA H 63 3.498 3.498 2.743 0.755 17578 142 1 . 1 1 28 28 VAL CA C 63 68.099 68.099 65.714 2.385 17578 143 1 . 1 1 28 28 VAL CB C 63 31.376 31.376 30.724 0.652 17578 144 1 . 1 1 28 28 VAL H H 63 8.255 8.255 7.994 0.261 17578 145 1 . 1 1 29 29 VAL N N 64 118.570 118.570 120.632 -2.062 17578 146 1 . 1 1 29 29 VAL HA H 64 3.359 3.359 3.529 -0.170 17578 147 1 . 1 1 29 29 VAL C C 64 177.549 177.549 177.803 -0.254 17578 148 1 . 1 1 29 29 VAL CA C 64 67.456 67.456 66.424 1.032 17578 149 1 . 1 1 29 29 VAL CB C 64 31.233 31.233 30.944 0.289 17578 150 1 . 1 1 29 29 VAL H H 64 8.535 8.535 7.980 0.555 17578 151 1 . 1 1 30 30 LYS N N 65 117.926 117.926 120.244 -2.318 17578 152 1 . 1 1 30 30 LYS HA H 65 3.875 3.875 3.889 -0.014 17578 153 1 . 1 1 30 30 LYS CA C 65 59.811 59.811 59.792 0.019 17578 154 1 . 1 1 30 30 LYS CB C 65 32.715 32.715 32.277 0.438 17578 155 1 . 1 1 30 30 LYS H H 65 7.538 7.538 7.846 -0.308 17578 156 1 . 1 1 31 31 ALA N N 66 120.475 120.475 121.298 -0.823 17578 157 1 . 1 1 31 31 ALA HA H 66 4.071 4.071 4.154 -0.083 17578 158 1 . 1 1 31 31 ALA C C 66 179.596 179.596 179.488 0.108 17578 159 1 . 1 1 31 31 ALA CA C 66 55.051 55.051 54.795 0.256 17578 160 1 . 1 1 31 31 ALA CB C 66 18.901 18.901 18.107 0.794 17578 161 1 . 1 1 31 31 ALA H H 66 7.496 7.496 7.914 -0.418 17578 162 1 . 1 1 32 32 LEU N N 67 119.357 119.357 119.945 -0.588 17578 163 1 . 1 1 32 32 LEU HA H 67 3.854 3.854 3.879 -0.025 17578 164 1 . 1 1 32 32 LEU CA C 67 57.859 57.859 57.567 0.292 17578 165 1 . 1 1 32 32 LEU CB C 67 42.442 42.442 41.779 0.663 17578 166 1 . 1 1 32 32 LEU H H 67 8.376 8.376 7.734 0.642 17578 167 1 . 1 1 33 33 ARG N N 68 116.045 116.045 117.286 -1.241 17578 168 1 . 1 1 33 33 ARG HA H 68 3.802 3.802 4.020 -0.218 17578 169 1 . 1 1 33 33 ARG CA C 68 59.306 59.306 57.903 1.403 17578 170 1 . 1 1 33 33 ARG CB C 68 29.759 29.759 30.260 -0.501 17578 171 1 . 1 1 33 33 ARG H H 68 8.091 8.091 7.886 0.205 17578 172 1 . 1 1 34 34 LYS N N 69 117.845 117.845 117.302 0.543 17578 173 1 . 1 1 34 34 LYS HA H 69 4.255 4.255 4.187 0.068 17578 174 1 . 1 1 34 34 LYS C C 69 176.831 176.831 177.691 -0.860 17578 175 1 . 1 1 34 34 LYS CA C 69 56.548 56.548 57.253 -0.705 17578 176 1 . 1 1 34 34 LYS CB C 69 32.710 32.710 33.171 -0.461 17578 177 1 . 1 1 34 34 LYS H H 69 7.616 7.616 7.865 -0.249 17578 178 1 . 1 1 35 35 GLY N N 70 106.783 106.783 105.687 1.096 17578 179 1 . 1 1 35 35 GLY CA C 70 45.537 45.537 45.284 0.253 17578 180 1 . 1 1 35 35 GLY H H 70 7.739 7.739 8.302 -0.563 17578 181 1 . 1 1 36 36 GLU N N 71 119.424 119.424 118.475 0.949 17578 182 1 . 1 1 36 36 GLU HA H 71 4.226 4.226 4.382 -0.156 17578 183 1 . 1 1 36 36 GLU C C 71 175.400 175.400 176.336 -0.936 17578 184 1 . 1 1 36 36 GLU CA C 71 57.414 57.414 55.873 1.541 17578 185 1 . 1 1 36 36 GLU CB C 71 29.442 29.442 29.694 -0.252 17578 186 1 . 1 1 36 36 GLU H H 71 7.698 7.698 8.274 -0.576 17578 187 1 . 1 1 37 37 LYS N N 72 118.290 118.290 121.430 -3.139 17578 188 1 . 1 1 37 37 LYS HA H 72 4.903 4.903 4.233 0.670 17578 189 1 . 1 1 37 37 LYS C C 72 175.809 175.809 176.468 -0.659 17578 190 1 . 1 1 37 37 LYS CA C 72 53.791 53.791 57.343 -3.552 17578 191 1 . 1 1 37 37 LYS CB C 72 34.781 34.781 32.419 2.362 17578 192 1 . 1 1 37 37 LYS H H 72 8.223 8.223 7.431 0.792 17578 193 1 . 1 1 38 38 GLY N N 73 104.682 104.682 111.021 -6.339 17578 194 1 . 1 1 38 38 GLY C C 73 171.884 171.884 173.789 -1.905 17578 195 1 . 1 1 38 38 GLY CA C 73 46.360 46.360 45.058 1.302 17578 196 1 . 1 1 38 38 GLY H H 73 7.217 7.217 8.322 -1.105 17578 197 1 . 1 1 39 39 LEU N N 74 125.372 125.372 121.798 3.573 17578 198 1 . 1 1 39 39 LEU HA H 74 4.994 4.994 4.800 0.194 17578 199 1 . 1 1 39 39 LEU C C 74 174.380 174.380 175.946 -1.566 17578 200 1 . 1 1 39 39 LEU CA C 74 54.363 54.363 53.334 1.029 17578 201 1 . 1 1 39 39 LEU CB C 74 47.028 47.028 43.959 3.069 17578 202 1 . 1 1 39 39 LEU H H 74 8.945 8.945 8.106 0.839 17578 203 1 . 1 1 40 40 VAL N N 75 130.967 130.967 124.444 6.523 17578 204 1 . 1 1 40 40 VAL HA H 75 4.644 4.644 4.284 0.360 17578 205 1 . 1 1 40 40 VAL C C 75 173.667 173.667 174.770 -1.103 17578 206 1 . 1 1 40 40 VAL CA C 75 62.273 62.273 62.214 0.059 17578 207 1 . 1 1 40 40 VAL CB C 75 32.591 32.591 32.645 -0.054 17578 208 1 . 1 1 40 40 VAL H H 75 8.551 8.551 8.640 -0.089 17578 209 1 . 1 1 41 41 VAL N N 76 127.493 127.493 127.597 -0.104 17578 210 1 . 1 1 41 41 VAL HA H 76 4.660 4.660 4.324 0.336 17578 211 1 . 1 1 41 41 VAL C C 76 173.669 173.669 174.758 -1.089 17578 212 1 . 1 1 41 41 VAL CA C 76 60.899 60.899 61.193 -0.294 17578 213 1 . 1 1 41 41 VAL CB C 76 33.346 33.346 32.886 0.460 17578 214 1 . 1 1 41 41 VAL H H 76 8.804 8.804 9.079 -0.275 17578 215 1 . 1 1 42 42 ILE N N 77 125.646 125.646 126.946 -1.300 17578 216 1 . 1 1 42 42 ILE HA H 77 4.444 4.444 4.473 -0.029 17578 217 1 . 1 1 42 42 ILE C C 77 174.817 174.817 174.431 0.386 17578 218 1 . 1 1 42 42 ILE CA C 77 59.700 59.700 58.337 1.363 17578 219 1 . 1 1 42 42 ILE CB C 77 39.977 39.977 39.594 0.383 17578 220 1 . 1 1 42 42 ILE H H 77 8.613 8.613 8.542 0.071 17578 221 1 . 1 1 43 43 ALA N N 78 128.691 128.691 129.110 -0.419 17578 222 1 . 1 1 43 43 ALA HA H 78 4.459 4.459 5.193 -0.734 17578 223 1 . 1 1 43 43 ALA C C 78 177.584 177.584 178.292 -0.708 17578 224 1 . 1 1 43 43 ALA CA C 78 52.372 52.372 50.109 2.263 17578 225 1 . 1 1 43 43 ALA CB C 78 19.504 19.504 19.887 -0.382 17578 226 1 . 1 1 43 43 ALA H H 78 8.565 8.565 8.059 0.506 17578 227 1 . 1 1 44 44 GLY N N 79 103.957 103.957 109.448 -5.491 17578 228 1 . 1 1 44 44 GLY C C 79 173.252 173.252 174.211 -0.959 17578 229 1 . 1 1 44 44 GLY CA C 79 45.764 45.764 46.069 -0.305 17578 230 1 . 1 1 44 44 GLY H H 79 9.083 9.083 8.718 0.365 17578 231 1 . 1 1 45 45 ASP N N 80 118.632 118.632 120.174 -1.542 17578 232 1 . 1 1 45 45 ASP HA H 80 4.918 4.918 4.873 0.045 17578 233 1 . 1 1 45 45 ASP CA C 80 52.689 52.689 53.427 -0.738 17578 234 1 . 1 1 45 45 ASP CB C 80 39.118 39.118 40.781 -1.663 17578 235 1 . 1 1 45 45 ASP H H 80 8.695 8.695 8.092 0.603 17578 236 1 . 1 1 46 46 ILE N N 81 117.935 117.935 119.093 -1.158 17578 237 1 . 1 1 46 46 ILE HA H 81 4.179 4.179 4.239 -0.060 17578 238 1 . 1 1 46 46 ILE C C 81 172.890 172.890 174.095 -1.205 17578 239 1 . 1 1 46 46 ILE CA C 81 59.242 59.242 59.822 -0.580 17578 240 1 . 1 1 46 46 ILE CB C 81 39.253 39.253 41.409 -2.157 17578 241 1 . 1 1 46 46 ILE H H 81 6.730 6.730 7.372 -0.642 17578 242 1 . 1 1 47 47 TRP N N 82 123.585 123.585 124.931 -1.346 17578 243 1 . 1 1 47 47 TRP HA H 82 4.587 4.587 5.195 -0.608 17578 244 1 . 1 1 47 47 TRP CA C 82 55.386 55.386 54.447 0.939 17578 245 1 . 1 1 47 47 TRP CB C 82 32.147 32.147 29.330 2.817 17578 246 1 . 1 1 47 47 TRP H H 82 7.804 7.804 7.978 -0.174 17578 247 1 . 1 1 48 48 PRO HA H 83 4.248 4.248 4.679 -0.431 17578 248 1 . 1 1 48 48 PRO CA C 83 62.712 62.712 62.414 0.299 17578 249 1 . 1 1 48 48 PRO CB C 83 34.011 34.011 32.563 1.448 17578 250 1 . 1 1 49 49 ALA N N 84 121.827 121.827 120.122 1.705 17578 251 1 . 1 1 49 49 ALA HA H 84 3.969 3.969 4.187 -0.218 17578 252 1 . 1 1 49 49 ALA CA C 84 54.183 54.183 52.765 1.418 17578 253 1 . 1 1 49 49 ALA CB C 84 19.404 19.404 18.548 0.856 17578 254 1 . 1 1 49 49 ALA H H 84 8.198 8.198 8.438 -0.240 17578 255 1 . 1 1 50 50 ASP N N 85 114.049 114.049 119.756 -5.707 17578 256 1 . 1 1 50 50 ASP HA H 85 4.301 4.301 4.314 -0.013 17578 257 1 . 1 1 50 50 ASP C C 85 177.428 177.428 178.002 -0.574 17578 258 1 . 1 1 50 50 ASP CA C 85 55.777 55.777 57.116 -1.339 17578 259 1 . 1 1 50 50 ASP CB C 85 40.060 40.060 40.241 -0.181 17578 260 1 . 1 1 50 50 ASP H H 85 8.008 8.008 8.680 -0.672 17578 261 1 . 1 1 51 51 VAL N N 86 116.790 116.790 117.153 -0.363 17578 262 1 . 1 1 51 51 VAL HA H 86 3.841 3.841 3.663 0.178 17578 263 1 . 1 1 51 51 VAL C C 86 176.231 176.231 177.409 -1.178 17578 264 1 . 1 1 51 51 VAL CA C 86 65.332 65.332 65.193 0.138 17578 265 1 . 1 1 51 51 VAL CB C 86 32.123 32.123 31.157 0.966 17578 266 1 . 1 1 51 51 VAL H H 86 7.542 7.542 7.359 0.183 17578 267 1 . 1 1 52 52 ILE N N 87 107.529 107.529 119.642 -12.113 17578 268 1 . 1 1 52 52 ILE HA H 87 4.638 4.638 3.686 0.952 17578 269 1 . 1 1 52 52 ILE C C 87 178.026 178.026 177.658 0.368 17578 270 1 . 1 1 52 52 ILE CA C 87 59.806 59.806 64.376 -4.570 17578 271 1 . 1 1 52 52 ILE CB C 87 40.742 40.742 37.218 3.524 17578 272 1 . 1 1 52 52 ILE H H 87 7.310 7.310 8.387 -1.077 17578 273 1 . 1 1 53 53 SER N N 88 116.004 116.004 114.179 1.825 17578 274 1 . 1 1 53 53 SER HA H 88 4.566 4.566 4.356 0.210 17578 275 1 . 1 1 53 53 SER CA C 88 61.760 61.760 60.611 1.149 17578 276 1 . 1 1 53 53 SER CB C 88 62.391 62.391 63.778 -1.387 17578 277 1 . 1 1 53 53 SER H H 88 7.827 7.827 7.994 -0.167 17578 278 1 . 1 1 54 54 HIS HA H 89 4.572 4.572 4.398 0.174 17578 279 1 . 1 1 54 54 HIS CA C 89 56.789 56.789 59.037 -2.248 17578 280 1 . 1 1 54 54 HIS CB C 89 30.527 30.527 29.925 0.602 17578 281 1 . 1 1 55 55 ILE N N 90 120.579 120.579 120.952 -0.373 17578 282 1 . 1 1 55 55 ILE HA H 90 3.512 3.512 3.724 -0.212 17578 283 1 . 1 1 55 55 ILE CA C 90 65.424 65.424 66.553 -1.129 17578 284 1 . 1 1 55 55 ILE CB C 90 34.176 34.176 35.470 -1.294 17578 285 1 . 1 1 55 55 ILE H H 90 7.764 7.764 8.124 -0.360 17578 286 1 . 1 1 56 56 PRO HA H 91 2.942 2.942 4.354 -1.412 17578 287 1 . 1 1 56 56 PRO C C 91 177.032 177.032 178.878 -1.846 17578 288 1 . 1 1 56 56 PRO CA C 91 66.842 66.842 65.868 0.974 17578 289 1 . 1 1 56 56 PRO CB C 91 31.206 31.206 31.348 -0.142 17578 290 1 . 1 1 57 57 VAL N N 92 114.379 114.379 119.080 -4.701 17578 291 1 . 1 1 57 57 VAL HA H 92 3.574 3.574 3.751 -0.177 17578 292 1 . 1 1 57 57 VAL CA C 92 65.900 65.900 66.025 -0.124 17578 293 1 . 1 1 57 57 VAL CB C 92 31.600 31.600 31.765 -0.165 17578 294 1 . 1 1 57 57 VAL H H 92 6.497 6.497 7.669 -1.172 17578 295 1 . 1 1 58 58 LEU N N 93 120.522 120.522 119.280 1.242 17578 296 1 . 1 1 58 58 LEU HA H 93 4.227 4.227 4.104 0.123 17578 297 1 . 1 1 58 58 LEU C C 93 180.251 180.251 178.285 1.966 17578 298 1 . 1 1 58 58 LEU CA C 93 57.838 57.838 57.977 -0.139 17578 299 1 . 1 1 58 58 LEU CB C 93 43.172 43.172 41.243 1.929 17578 300 1 . 1 1 58 58 LEU H H 93 7.460 7.460 7.658 -0.198 17578 301 1 . 1 1 59 59 CYS N N 94 117.195 117.195 118.809 -1.614 17578 302 1 . 1 1 59 59 CYS HA H 94 3.867 3.867 4.337 -0.470 17578 303 1 . 1 1 59 59 CYS C C 94 176.362 176.362 176.736 -0.374 17578 304 1 . 1 1 59 59 CYS CA C 94 65.379 65.379 62.724 2.655 17578 305 1 . 1 1 59 59 CYS CB C 94 26.344 26.344 27.673 -1.329 17578 306 1 . 1 1 59 59 CYS H H 94 8.335 8.335 8.059 0.276 17578 307 1 . 1 1 60 60 GLU N N 95 120.777 120.777 119.402 1.375 17578 308 1 . 1 1 60 60 GLU HA H 95 4.209 4.209 4.129 0.080 17578 309 1 . 1 1 60 60 GLU CA C 95 59.760 59.760 58.660 1.100 17578 310 1 . 1 1 60 60 GLU CB C 95 29.201 29.201 29.614 -0.413 17578 311 1 . 1 1 60 60 GLU H H 95 8.235 8.235 8.278 -0.043 17578 312 1 . 1 1 61 61 ASP N N 96 120.910 120.910 118.132 2.778 17578 313 1 . 1 1 61 61 ASP HA H 96 4.292 4.292 4.552 -0.260 17578 314 1 . 1 1 61 61 ASP C C 96 177.890 177.890 177.456 0.434 17578 315 1 . 1 1 61 61 ASP CA C 96 57.235 57.235 56.009 1.226 17578 316 1 . 1 1 61 61 ASP CB C 96 40.580 40.580 41.345 -0.765 17578 317 1 . 1 1 61 61 ASP H H 96 8.509 8.509 7.764 0.745 17578 318 1 . 1 1 62 62 HIS N N 97 115.923 115.923 117.181 -1.258 17578 319 1 . 1 1 62 62 HIS HA H 97 4.495 4.495 4.783 -0.288 17578 320 1 . 1 1 62 62 HIS C C 97 173.548 173.548 174.624 -1.076 17578 321 1 . 1 1 62 62 HIS CA C 97 57.290 57.290 55.731 1.559 17578 322 1 . 1 1 62 62 HIS CB C 97 29.997 29.997 32.236 -2.239 17578 323 1 . 1 1 62 62 HIS H H 97 7.635 7.635 7.895 -0.260 17578 324 1 . 1 1 63 63 SER N N 98 114.634 114.634 114.150 0.484 17578 325 1 . 1 1 63 63 SER HA H 98 4.489 4.489 4.136 0.353 17578 326 1 . 1 1 63 63 SER C C 98 173.949 173.949 172.252 1.697 17578 327 1 . 1 1 63 63 SER CA C 98 58.842 58.842 58.888 -0.046 17578 328 1 . 1 1 63 63 SER CB C 98 61.396 61.396 62.552 -1.156 17578 329 1 . 1 1 63 63 SER H H 98 7.888 7.888 8.000 -0.112 17578 330 1 . 1 1 64 64 VAL N N 99 123.090 123.090 123.410 -0.320 17578 331 1 . 1 1 64 64 VAL HA H 99 4.721 4.721 4.340 0.381 17578 332 1 . 1 1 64 64 VAL CA C 99 58.978 58.978 58.721 0.257 17578 333 1 . 1 1 64 64 VAL CB C 99 35.228 35.228 35.003 0.225 17578 334 1 . 1 1 64 64 VAL H H 99 8.590 8.590 7.849 0.741 17578 335 1 . 1 1 65 65 PRO HA H 100 4.263 4.263 4.125 0.138 17578 336 1 . 1 1 65 65 PRO C C 100 173.191 173.191 175.418 -2.227 17578 337 1 . 1 1 65 65 PRO CA C 100 63.427 63.427 62.540 0.887 17578 338 1 . 1 1 65 65 PRO CB C 100 31.863 31.863 31.903 -0.040 17578 339 1 . 1 1 66 66 TYR N N 101 114.702 114.702 119.857 -5.155 17578 340 1 . 1 1 66 66 TYR HA H 101 5.925 5.925 5.555 0.370 17578 341 1 . 1 1 66 66 TYR CA C 101 53.501 53.501 55.363 -1.862 17578 342 1 . 1 1 66 66 TYR CB C 101 41.793 41.793 41.577 0.216 17578 343 1 . 1 1 66 66 TYR H H 101 6.243 6.243 7.466 -1.223 17578 344 1 . 1 1 67 67 ILE N N 102 111.885 111.885 117.410 -5.525 17578 345 1 . 1 1 67 67 ILE HA H 102 4.502 4.502 4.476 0.026 17578 346 1 . 1 1 67 67 ILE C C 102 172.358 172.358 174.221 -1.863 17578 347 1 . 1 1 67 67 ILE CA C 102 55.442 55.442 60.443 -5.001 17578 348 1 . 1 1 67 67 ILE CB C 102 43.124 43.124 42.565 0.559 17578 349 1 . 1 1 67 67 ILE H H 102 7.986 7.986 8.423 -0.437 17578 350 1 . 1 1 68 68 PHE N N 103 122.274 122.274 127.467 -5.193 17578 351 1 . 1 1 68 68 PHE HA H 103 5.087 5.087 4.958 0.129 17578 352 1 . 1 1 68 68 PHE C C 103 176.173 176.173 174.749 1.424 17578 353 1 . 1 1 68 68 PHE CA C 103 56.103 56.103 57.132 -1.029 17578 354 1 . 1 1 68 68 PHE CB C 103 39.891 39.891 39.884 0.007 17578 355 1 . 1 1 68 68 PHE H H 103 8.108 8.108 8.611 -0.504 17578 356 1 . 1 1 69 69 ILE N N 104 114.613 114.613 122.079 -7.466 17578 357 1 . 1 1 69 69 ILE HA H 104 4.927 4.927 4.736 0.191 17578 358 1 . 1 1 69 69 ILE CA C 104 57.831 57.831 57.721 0.110 17578 359 1 . 1 1 69 69 ILE CB C 104 38.302 38.302 39.992 -1.690 17578 360 1 . 1 1 69 69 ILE H H 104 8.843 8.843 8.443 0.400 17578 361 1 . 1 1 70 70 PRO HA H 105 4.093 4.093 4.599 -0.506 17578 362 1 . 1 1 70 70 PRO CA C 105 66.439 66.439 62.928 3.511 17578 363 1 . 1 1 70 70 PRO CB C 105 32.879 32.879 32.005 0.874 17578 364 1 . 1 1 71 71 SER N N 106 106.896 106.896 113.175 -6.279 17578 365 1 . 1 1 71 71 SER HA H 106 5.227 5.227 4.505 0.722 17578 366 1 . 1 1 71 71 SER CA C 106 55.373 55.373 59.171 -3.798 17578 367 1 . 1 1 71 71 SER CB C 106 64.696 64.696 63.887 0.809 17578 368 1 . 1 1 71 71 SER H H 106 7.548 7.548 8.298 -0.750 17578 369 1 . 1 1 72 72 LYS N N 107 119.881 119.881 122.170 -2.289 17578 370 1 . 1 1 72 72 LYS HA H 107 4.191 4.191 3.853 0.338 17578 371 1 . 1 1 72 72 LYS CA C 107 58.623 58.623 60.200 -1.577 17578 372 1 . 1 1 72 72 LYS CB C 107 30.957 30.957 31.928 -0.971 17578 373 1 . 1 1 72 72 LYS H H 107 8.328 8.328 8.458 -0.130 17578 374 1 . 1 1 73 73 GLN N N 108 123.720 123.720 117.473 6.247 17578 375 1 . 1 1 73 73 GLN HA H 108 4.013 4.013 4.142 -0.129 17578 376 1 . 1 1 73 73 GLN CA C 108 58.621 58.621 58.864 -0.243 17578 377 1 . 1 1 73 73 GLN CB C 108 28.331 28.331 28.008 0.323 17578 378 1 . 1 1 73 73 GLN H H 108 8.543 8.543 8.415 0.128 17578 379 1 . 1 1 74 74 ASP N N 109 121.068 121.068 120.017 1.051 17578 380 1 . 1 1 74 74 ASP HA H 109 4.353 4.353 4.334 0.019 17578 381 1 . 1 1 74 74 ASP CA C 109 56.941 56.941 57.480 -0.539 17578 382 1 . 1 1 74 74 ASP CB C 109 40.403 40.403 40.401 0.002 17578 383 1 . 1 1 74 74 ASP H H 109 7.998 7.998 8.534 -0.535 17578 384 1 . 1 1 75 75 LEU N N 110 120.670 120.670 120.098 0.572 17578 385 1 . 1 1 75 75 LEU HA H 110 3.967 3.967 4.118 -0.151 17578 386 1 . 1 1 75 75 LEU C C 110 178.753 178.753 179.262 -0.509 17578 387 1 . 1 1 75 75 LEU CA C 110 57.080 57.080 57.251 -0.171 17578 388 1 . 1 1 75 75 LEU CB C 110 41.235 41.235 41.696 -0.461 17578 389 1 . 1 1 75 75 LEU H H 110 7.999 7.999 7.812 0.187 17578 390 1 . 1 1 76 76 GLY N N 111 105.512 105.512 106.874 -1.362 17578 391 1 . 1 1 76 76 GLY C C 111 175.517 175.517 175.357 0.160 17578 392 1 . 1 1 76 76 GLY CA C 111 46.745 46.745 47.296 -0.551 17578 393 1 . 1 1 76 76 GLY H H 111 8.012 8.012 8.182 -0.170 17578 394 1 . 1 1 77 77 ALA N N 112 122.891 122.891 123.945 -1.054 17578 395 1 . 1 1 77 77 ALA HA H 112 4.180 4.180 4.245 -0.065 17578 396 1 . 1 1 77 77 ALA CA C 112 53.652 53.652 54.122 -0.470 17578 397 1 . 1 1 77 77 ALA CB C 112 18.482 18.482 18.571 -0.089 17578 398 1 . 1 1 77 77 ALA H H 112 7.785 7.785 7.997 -0.212 17578 399 1 . 1 1 78 78 ALA N N 113 121.205 121.205 119.825 1.380 17578 400 1 . 1 1 78 78 ALA HA H 113 4.213 4.213 4.054 0.159 17578 401 1 . 1 1 78 78 ALA CA C 113 53.503 53.503 54.056 -0.553 17578 402 1 . 1 1 78 78 ALA CB C 113 18.897 18.897 19.122 -0.225 17578 403 1 . 1 1 78 78 ALA H H 113 7.787 7.787 7.984 -0.197 17578 404 1 . 1 1 79 79 GLY N N 114 104.082 104.082 103.476 0.606 17578 405 1 . 1 1 79 79 GLY CA C 114 44.764 44.764 44.831 -0.067 17578 406 1 . 1 1 79 79 GLY H H 114 7.756 7.756 7.908 -0.152 17578 407 1 . 1 1 80 80 ALA HA H 115 4.061 4.061 4.380 -0.319 17578 408 1 . 1 1 80 80 ALA CA C 115 53.192 53.192 52.167 1.025 17578 409 1 . 1 1 80 80 ALA CB C 115 19.493 19.493 19.035 0.459 17578 410 1 . 1 1 81 81 THR N N 116 116.258 116.258 113.735 2.523 17578 411 1 . 1 1 81 81 THR CA C 116 57.223 57.223 61.766 -4.543 17578 412 1 . 1 1 81 81 THR CB C 116 64.784 64.784 69.105 -4.321 17578 413 1 . 1 1 81 81 THR H H 116 8.121 8.121 8.050 0.071 17578 414 1 . 1 1 83 83 ARG N N 118 122.269 122.269 119.579 2.690 17578 415 1 . 1 1 83 83 ARG H H 118 8.128 8.128 8.095 0.033 17578 416 1 . 1 1 85 85 THR N N 120 120.171 120.171 115.636 4.535 17578 417 1 . 1 1 85 85 THR C C 120 172.729 172.729 174.084 -1.355 17578 418 1 . 1 1 85 85 THR H H 120 8.127 8.127 8.070 0.057 17578 419 1 . 1 1 86 86 SER N N 121 115.808 115.808 115.585 0.223 17578 420 1 . 1 1 86 86 SER HA H 121 4.280 4.280 4.514 -0.234 17578 421 1 . 1 1 86 86 SER CA C 121 59.573 59.573 58.845 0.728 17578 422 1 . 1 1 86 86 SER CB C 121 64.384 64.384 63.976 0.408 17578 423 1 . 1 1 86 86 SER H H 121 7.045 7.045 8.237 -1.192 17578 424 1 . 1 1 87 87 VAL N N 122 115.790 115.790 118.848 -3.058 17578 425 1 . 1 1 87 87 VAL HA H 122 5.203 5.203 4.541 0.662 17578 426 1 . 1 1 87 87 VAL CA C 122 59.412 59.412 60.881 -1.469 17578 427 1 . 1 1 87 87 VAL CB C 122 32.729 32.729 32.169 0.560 17578 428 1 . 1 1 87 87 VAL H H 122 7.082 7.082 7.662 -0.580 17578 429 1 . 1 1 88 88 VAL N N 123 119.313 119.313 126.275 -6.962 17578 430 1 . 1 1 88 88 VAL HA H 123 5.097 5.097 5.049 0.048 17578 431 1 . 1 1 88 88 VAL C C 123 172.990 172.990 173.681 -0.691 17578 432 1 . 1 1 88 88 VAL CA C 123 58.925 58.925 59.717 -0.792 17578 433 1 . 1 1 88 88 VAL CB C 123 35.929 35.929 35.226 0.703 17578 434 1 . 1 1 88 88 VAL H H 123 8.948 8.948 8.344 0.604 17578 435 1 . 1 1 89 89 PHE N N 124 122.616 122.616 126.708 -4.092 17578 436 1 . 1 1 89 89 PHE HA H 124 5.641 5.641 5.505 0.136 17578 437 1 . 1 1 89 89 PHE C C 124 174.686 174.686 173.204 1.482 17578 438 1 . 1 1 89 89 PHE CA C 124 52.579 52.579 54.702 -2.123 17578 439 1 . 1 1 89 89 PHE CB C 124 42.392 42.392 42.487 -0.095 17578 440 1 . 1 1 89 89 PHE H H 124 9.065 9.065 9.126 -0.061 17578 441 1 . 1 1 90 90 ILE N N 125 127.599 127.599 122.612 4.987 17578 442 1 . 1 1 90 90 ILE HA H 125 4.268 4.268 4.026 0.242 17578 443 1 . 1 1 90 90 ILE C C 125 173.652 173.652 174.908 -1.256 17578 444 1 . 1 1 90 90 ILE CA C 125 61.605 61.605 60.091 1.514 17578 445 1 . 1 1 90 90 ILE CB C 125 39.533 39.533 38.629 0.904 17578 446 1 . 1 1 90 90 ILE H H 125 9.498 9.498 8.992 0.506 17578 447 1 . 1 1 91 91 VAL N N 126 126.693 126.693 125.519 1.174 17578 448 1 . 1 1 91 91 VAL HA H 126 4.595 4.595 4.669 -0.074 17578 449 1 . 1 1 91 91 VAL CA C 126 58.380 58.380 58.439 -0.059 17578 450 1 . 1 1 91 91 VAL CB C 126 32.597 32.597 32.688 -0.091 17578 451 1 . 1 1 91 91 VAL H H 126 8.169 8.169 8.484 -0.315 17578 452 1 . 1 1 92 92 PRO HA H 127 4.044 4.044 4.465 -0.421 17578 453 1 . 1 1 92 92 PRO CA C 127 63.380 63.380 62.915 0.465 17578 454 1 . 1 1 92 92 PRO CB C 127 31.735 31.735 30.682 1.053 17578 455 1 . 1 1 93 93 GLY N N 128 108.589 108.589 111.468 -2.879 17578 456 1 . 1 1 93 93 GLY CA C 128 45.443 45.443 45.726 -0.283 17578 457 1 . 1 1 93 93 GLY H H 128 8.022 8.022 8.580 -0.558 17578 458 1 . 1 1 94 94 SER N N 129 113.115 113.115 115.985 -2.870 17578 459 1 . 1 1 94 94 SER H H 129 7.992 7.992 7.956 0.036 17578 460 1 . 1 1 95 95 ASN N N 130 120.738 120.738 121.137 -0.399 17578 461 1 . 1 1 95 95 ASN C C 130 178.419 178.419 176.651 1.768 17578 462 1 . 1 1 95 95 ASN CA C 130 57.337 57.337 56.243 1.094 17578 463 1 . 1 1 95 95 ASN CB C 130 41.958 41.958 38.438 3.520 17578 464 1 . 1 1 95 95 ASN H H 130 8.313 8.313 8.873 -0.560 17578 465 1 . 1 1 96 96 LYS N N 131 119.159 119.159 118.515 0.644 17578 466 1 . 1 1 96 96 LYS HA H 131 4.021 4.021 4.262 -0.241 17578 467 1 . 1 1 96 96 LYS CA C 131 58.749 58.749 58.136 0.613 17578 468 1 . 1 1 96 96 LYS CB C 131 29.565 29.565 32.517 -2.951 17578 469 1 . 1 1 96 96 LYS H H 131 7.881 7.881 8.064 -0.183 17578 470 1 . 1 1 97 97 LYS N N 132 117.399 117.399 120.300 -2.901 17578 471 1 . 1 1 97 97 LYS CA C 132 58.413 58.413 58.487 -0.074 17578 472 1 . 1 1 97 97 LYS CB C 132 30.694 30.694 31.860 -1.166 17578 473 1 . 1 1 97 97 LYS H H 132 7.765 7.765 8.087 -0.322 17578 474 1 . 1 1 98 98 LYS N N 133 119.160 119.160 117.905 1.255 17578 475 1 . 1 1 98 98 LYS CA C 133 58.266 58.266 58.750 -0.484 17578 476 1 . 1 1 98 98 LYS CB C 133 30.981 30.981 32.187 -1.206 17578 477 1 . 1 1 98 98 LYS H H 133 8.070 8.070 7.696 0.374 17578 478 1 . 1 1 99 99 ASP N N 134 120.602 120.602 117.916 2.686 17578 479 1 . 1 1 99 99 ASP CA C 134 55.586 55.586 53.494 2.092 17578 480 1 . 1 1 99 99 ASP CB C 134 41.898 41.898 40.785 1.113 17578 481 1 . 1 1 99 99 ASP H H 134 8.255 8.255 7.688 0.567 17578 482 1 . 1 1 100 100 GLY N N 135 108.785 108.785 108.317 0.468 17578 483 1 . 1 1 100 100 GLY CA C 135 45.536 45.536 44.924 0.612 17578 484 1 . 1 1 100 100 GLY H H 135 8.451 8.451 7.820 0.631 17578 485 1 . 1 1 101 101 LYS N N 136 120.171 120.171 119.719 0.452 17578 486 1 . 1 1 101 101 LYS H H 136 8.127 8.127 8.234 -0.107 17578 487 1 . 1 1 102 102 ASN N N 137 118.588 118.588 119.812 -1.224 17578 488 1 . 1 1 102 102 ASN H H 137 8.481 8.481 8.316 0.165 17578 489 1 . 1 1 103 103 LYS N N 138 121.739 121.739 119.435 2.304 17578 490 1 . 1 1 103 103 LYS HA H 138 4.241 4.241 4.026 0.215 17578 491 1 . 1 1 103 103 LYS CA C 138 56.760 56.760 57.965 -1.205 17578 492 1 . 1 1 103 103 LYS CB C 138 32.691 32.691 31.659 1.032 17578 493 1 . 1 1 103 103 LYS H H 138 8.318 8.318 8.415 -0.097 17578 494 1 . 1 1 104 104 GLU N N 139 120.980 120.980 119.465 1.515 17578 495 1 . 1 1 104 104 GLU CA C 139 57.235 57.235 59.593 -2.358 17578 496 1 . 1 1 104 104 GLU CB C 139 29.893 29.893 29.160 0.733 17578 497 1 . 1 1 104 104 GLU H H 139 8.478 8.478 8.529 -0.051 17578 498 1 . 1 1 107 107 TYR N N 142 119.214 119.214 120.301 -1.087 17578 499 1 . 1 1 107 107 TYR HA H 142 5.023 5.023 3.863 1.160 17578 500 1 . 1 1 107 107 TYR C C 142 175.419 175.419 177.618 -2.199 17578 501 1 . 1 1 107 107 TYR CA C 142 57.200 57.200 60.765 -3.565 17578 502 1 . 1 1 107 107 TYR CB C 142 39.165 39.165 37.896 1.269 17578 503 1 . 1 1 107 107 TYR H H 142 7.992 7.992 8.358 -0.366 17578 504 1 . 1 1 108 108 LYS N N 143 123.500 123.500 118.792 4.708 17578 505 1 . 1 1 108 108 LYS HA H 143 3.628 3.628 3.806 -0.178 17578 506 1 . 1 1 108 108 LYS CA C 143 59.619 59.619 59.419 0.200 17578 507 1 . 1 1 108 108 LYS CB C 143 31.869 31.869 32.169 -0.300 17578 508 1 . 1 1 108 108 LYS H H 143 7.377 7.377 8.183 -0.806 17578 509 1 . 1 1 109 109 GLU N N 144 118.669 118.669 119.755 -1.086 17578 510 1 . 1 1 109 109 GLU HA H 144 4.735 4.735 4.016 0.719 17578 511 1 . 1 1 109 109 GLU CA C 144 59.865 59.865 59.517 0.348 17578 512 1 . 1 1 109 109 GLU CB C 144 29.004 29.004 29.239 -0.235 17578 513 1 . 1 1 109 109 GLU H H 144 8.583 8.583 8.154 0.429 17578 514 1 . 1 1 110 110 SER N N 145 116.081 116.081 115.580 0.501 17578 515 1 . 1 1 110 110 SER HA H 145 4.448 4.448 4.249 0.199 17578 516 1 . 1 1 110 110 SER CB C 145 64.178 64.178 63.028 1.150 17578 517 1 . 1 1 110 110 SER H H 145 8.117 8.117 7.988 0.129 17578 518 1 . 1 1 111 111 PHE N N 146 122.134 122.134 122.452 -0.318 17578 519 1 . 1 1 111 111 PHE HA H 146 4.022 4.022 4.141 -0.119 17578 520 1 . 1 1 111 111 PHE C C 146 175.751 175.751 177.596 -1.845 17578 521 1 . 1 1 111 111 PHE CA C 146 62.159 62.159 59.867 2.292 17578 522 1 . 1 1 111 111 PHE CB C 146 39.533 39.533 37.988 1.545 17578 523 1 . 1 1 111 111 PHE H H 146 8.553 8.553 8.084 0.469 17578 524 1 . 1 1 112 112 ASN N N 147 117.856 117.856 117.413 0.443 17578 525 1 . 1 1 112 112 ASN HA H 147 4.269 4.269 4.348 -0.079 17578 526 1 . 1 1 112 112 ASN CA C 147 55.881 55.881 56.620 -0.739 17578 527 1 . 1 1 112 112 ASN CB C 147 37.663 37.663 38.254 -0.591 17578 528 1 . 1 1 112 112 ASN H H 147 8.809 8.809 8.650 0.159 17578 529 1 . 1 1 113 113 GLU N N 148 119.708 119.708 120.363 -0.655 17578 530 1 . 1 1 113 113 GLU HA H 148 4.021 4.021 4.040 -0.019 17578 531 1 . 1 1 113 113 GLU CA C 148 59.385 59.385 59.410 -0.025 17578 532 1 . 1 1 113 113 GLU CB C 148 29.784 29.784 29.552 0.231 17578 533 1 . 1 1 113 113 GLU H H 148 7.778 7.778 7.897 -0.120 17578 534 1 . 1 1 114 114 VAL N N 149 119.680 119.680 119.614 0.066 17578 535 1 . 1 1 114 114 VAL HA H 149 3.556 3.556 3.753 -0.197 17578 536 1 . 1 1 114 114 VAL CA C 149 66.625 66.625 66.715 -0.090 17578 537 1 . 1 1 114 114 VAL CB C 149 31.368 31.368 31.632 -0.264 17578 538 1 . 1 1 114 114 VAL H H 149 8.023 8.023 8.168 -0.145 17578 539 1 . 1 1 115 115 VAL N N 150 119.684 119.684 116.517 3.167 17578 540 1 . 1 1 115 115 VAL HA H 150 3.163 3.163 3.689 -0.526 17578 541 1 . 1 1 115 115 VAL C C 150 177.270 177.270 178.105 -0.835 17578 542 1 . 1 1 115 115 VAL CA C 150 67.984 67.984 65.867 2.117 17578 543 1 . 1 1 115 115 VAL CB C 150 30.848 30.848 30.974 -0.126 17578 544 1 . 1 1 115 115 VAL H H 150 8.480 8.480 8.487 -0.007 17578 545 1 . 1 1 116 116 LYS N N 151 118.648 118.648 120.453 -1.805 17578 546 1 . 1 1 116 116 LYS HA H 151 4.027 4.027 4.049 -0.022 17578 547 1 . 1 1 116 116 LYS CA C 151 59.691 59.691 59.060 0.631 17578 548 1 . 1 1 116 116 LYS CB C 151 32.346 32.346 31.789 0.558 17578 549 1 . 1 1 116 116 LYS H H 151 7.584 7.584 7.986 -0.403 17578 550 1 . 1 1 117 117 GLU N N 152 120.177 120.177 120.207 -0.030 17578 551 1 . 1 1 117 117 GLU HA H 152 4.046 4.046 4.024 0.022 17578 552 1 . 1 1 117 117 GLU CA C 152 59.932 59.932 59.606 0.326 17578 553 1 . 1 1 117 117 GLU CB C 152 29.663 29.663 29.598 0.065 17578 554 1 . 1 1 117 117 GLU H H 152 7.528 7.528 7.894 -0.366 17578 555 1 . 1 1 118 118 VAL N N 153 120.413 120.413 119.463 0.950 17578 556 1 . 1 1 118 118 VAL HA H 153 3.421 3.421 3.847 -0.426 17578 557 1 . 1 1 118 118 VAL CA C 153 67.196 67.196 65.684 1.512 17578 558 1 . 1 1 118 118 VAL CB C 153 31.600 31.600 31.841 -0.241 17578 559 1 . 1 1 118 118 VAL H H 153 8.665 8.665 7.971 0.694 17578 560 1 . 1 1 119 119 GLN N N 154 118.232 118.232 119.314 -1.082 17578 561 1 . 1 1 119 119 GLN HA H 154 3.982 3.982 4.066 -0.084 17578 562 1 . 1 1 119 119 GLN CA C 154 59.651 59.651 58.136 1.515 17578 563 1 . 1 1 119 119 GLN CB C 154 28.478 28.478 28.971 -0.493 17578 564 1 . 1 1 119 119 GLN H H 154 8.950 8.950 7.912 1.038 17578 565 1 . 1 1 120 120 ALA N N 155 120.568 120.568 121.672 -1.104 17578 566 1 . 1 1 120 120 ALA HA H 155 4.223 4.223 4.253 -0.030 17578 567 1 . 1 1 120 120 ALA CA C 155 55.071 55.071 53.144 1.927 17578 568 1 . 1 1 120 120 ALA CB C 155 17.952 17.952 19.601 -1.648 17578 569 1 . 1 1 120 120 ALA H H 155 7.486 7.486 7.949 -0.463 17578 stop_ save_