data_25636 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25636 _Entry.PDB_ID 2N37 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 25636 _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 PRO HA H 2 4.386 4.386 4.494 -0.108 25636 2 1 1 . 1 1 2 2 PRO CA C 2 62.756 62.756 62.428 0.328 25636 3 1 1 . 1 1 2 2 PRO CB C 2 32.034 32.034 32.715 -0.681 25636 4 1 1 . 1 1 3 3 ALA N N 3 124.343 124.343 123.404 0.939 25636 5 1 1 . 1 1 3 3 ALA HA H 3 4.306 4.306 4.513 -0.207 25636 6 1 1 . 1 1 3 3 ALA CA C 3 52.756 52.756 51.636 1.120 25636 7 1 1 . 1 1 3 3 ALA CB C 3 19.935 19.935 19.803 0.132 25636 8 1 1 . 1 1 3 3 ALA H H 3 8.192 8.192 8.330 -0.138 25636 9 1 1 . 1 1 4 4 ARG N N 4 119.928 119.928 124.006 -4.078 25636 10 1 1 . 1 1 4 4 ARG HA H 4 4.323 4.323 4.640 -0.317 25636 11 1 1 . 1 1 4 4 ARG CA C 4 56.231 56.231 55.021 1.210 25636 12 1 1 . 1 1 4 4 ARG CB C 4 33.629 33.629 30.955 2.674 25636 13 1 1 . 1 1 4 4 ARG H H 4 9.195 9.195 8.515 0.679 25636 14 1 1 . 1 1 5 5 PHE N N 5 119.084 119.084 121.520 -2.436 25636 15 1 1 . 1 1 5 5 PHE HA H 5 5.321 5.321 4.753 0.568 25636 16 1 1 . 1 1 5 5 PHE CA C 5 56.914 56.914 57.428 -0.514 25636 17 1 1 . 1 1 5 5 PHE CB C 5 43.554 43.554 43.385 0.169 25636 18 1 1 . 1 1 5 5 PHE H H 5 9.242 9.242 8.387 0.855 25636 19 1 1 . 1 1 6 6 CYS N N 6 116.173 116.173 119.074 -2.901 25636 20 1 1 . 1 1 6 6 CYS HA H 6 5.281 5.281 4.938 0.343 25636 21 1 1 . 1 1 6 6 CYS CA C 6 54.262 54.262 58.060 -3.798 25636 22 1 1 . 1 1 6 6 CYS CB C 6 39.730 39.730 29.516 10.214 25636 23 1 1 . 1 1 6 6 CYS H H 6 9.204 9.204 8.521 0.683 25636 24 1 1 . 1 1 7 7 VAL N N 7 126.228 126.228 121.032 5.196 25636 25 1 1 . 1 1 7 7 VAL HA H 7 4.314 4.314 4.295 0.019 25636 26 1 1 . 1 1 7 7 VAL CA C 7 60.665 60.665 60.705 -0.040 25636 27 1 1 . 1 1 7 7 VAL CB C 7 32.359 32.359 34.776 -2.417 25636 28 1 1 . 1 1 7 7 VAL H H 7 9.474 9.474 8.958 0.516 25636 29 1 1 . 1 1 8 8 TYR N N 8 123.478 123.478 123.845 -0.367 25636 30 1 1 . 1 1 8 8 TYR HA H 8 5.120 5.120 4.765 0.355 25636 31 1 1 . 1 1 8 8 TYR CA C 8 57.174 57.174 56.503 0.671 25636 32 1 1 . 1 1 8 8 TYR CB C 8 40.918 40.918 42.022 -1.104 25636 33 1 1 . 1 1 8 8 TYR H H 8 8.195 8.195 7.783 0.412 25636 34 1 1 . 1 1 9 9 TYR N N 9 119.745 119.745 121.760 -2.015 25636 35 1 1 . 1 1 9 9 TYR HA H 9 5.209 5.209 4.817 0.392 25636 36 1 1 . 1 1 9 9 TYR CA C 9 56.930 56.930 56.844 0.086 25636 37 1 1 . 1 1 9 9 TYR CB C 9 44.026 44.026 42.304 1.722 25636 38 1 1 . 1 1 9 9 TYR H H 9 9.410 9.410 7.827 1.583 25636 39 1 1 . 1 1 10 10 ASP N N 10 118.515 118.515 119.417 -0.902 25636 40 1 1 . 1 1 10 10 ASP HA H 10 5.203 5.203 5.033 0.170 25636 41 1 1 . 1 1 10 10 ASP CA C 10 52.879 52.879 52.947 -0.067 25636 42 1 1 . 1 1 10 10 ASP CB C 10 41.522 41.522 45.401 -3.878 25636 43 1 1 . 1 1 10 10 ASP H H 10 8.948 8.948 8.472 0.476 25636 44 1 1 . 1 1 11 11 GLY N N 11 114.853 114.853 108.958 5.895 25636 45 1 1 . 1 1 11 11 GLY CA C 11 44.213 44.213 46.528 -2.315 25636 46 1 1 . 1 1 11 11 GLY H H 11 9.014 9.014 8.681 0.333 25636 47 1 1 . 1 1 12 12 HIS N N 12 114.423 114.423 121.958 -7.535 25636 48 1 1 . 1 1 12 12 HIS HA H 12 4.415 4.415 4.447 -0.032 25636 49 1 1 . 1 1 12 12 HIS CA C 12 56.572 56.572 55.112 1.460 25636 50 1 1 . 1 1 12 12 HIS CB C 12 32.017 32.017 32.687 -0.670 25636 51 1 1 . 1 1 12 12 HIS H H 12 8.133 8.133 8.079 0.054 25636 52 1 1 . 1 1 13 13 LEU N N 13 123.763 123.763 124.985 -1.222 25636 53 1 1 . 1 1 13 13 LEU HA H 13 4.777 4.777 4.269 0.508 25636 54 1 1 . 1 1 13 13 LEU CA C 13 52.049 52.049 54.123 -2.074 25636 55 1 1 . 1 1 13 13 LEU CB C 13 41.569 41.569 42.546 -0.977 25636 56 1 1 . 1 1 13 13 LEU H H 13 8.385 8.385 8.645 -0.260 25636 57 1 1 . 1 1 14 14 PRO HA H 14 3.707 3.707 4.321 -0.614 25636 58 1 1 . 1 1 14 14 PRO CA C 14 65.579 65.579 64.050 1.529 25636 59 1 1 . 1 1 14 14 PRO CB C 14 31.895 31.895 32.094 -0.200 25636 60 1 1 . 1 1 15 15 ALA N N 15 115.114 115.114 120.532 -5.418 25636 61 1 1 . 1 1 15 15 ALA HA H 15 4.149 4.149 4.261 -0.112 25636 62 1 1 . 1 1 15 15 ALA CA C 15 54.628 54.628 54.039 0.589 25636 63 1 1 . 1 1 15 15 ALA CB C 15 19.577 19.577 19.042 0.535 25636 64 1 1 . 1 1 15 15 ALA H H 15 8.162 8.162 8.026 0.136 25636 65 1 1 . 1 1 16 16 THR N N 16 102.057 102.057 111.939 -9.882 25636 66 1 1 . 1 1 16 16 THR HA H 16 4.553 4.553 4.407 0.146 25636 67 1 1 . 1 1 16 16 THR CA C 16 60.331 60.331 60.662 -0.331 25636 68 1 1 . 1 1 16 16 THR CB C 16 70.574 70.574 69.685 0.889 25636 69 1 1 . 1 1 16 16 THR H H 16 7.153 7.153 7.638 -0.485 25636 70 1 1 . 1 1 17 17 ARG N N 17 122.509 122.509 123.118 -0.609 25636 71 1 1 . 1 1 17 17 ARG HA H 17 4.716 4.716 4.213 0.503 25636 72 1 1 . 1 1 17 17 ARG CA C 17 56.296 56.296 56.974 -0.678 25636 73 1 1 . 1 1 17 17 ARG CB C 17 30.021 30.021 30.625 -0.604 25636 74 1 1 . 1 1 17 17 ARG H H 17 7.901 7.901 7.651 0.250 25636 75 1 1 . 1 1 18 18 VAL N N 18 122.027 122.027 120.624 1.403 25636 76 1 1 . 1 1 18 18 VAL HA H 18 4.293 4.293 4.284 0.009 25636 77 1 1 . 1 1 18 18 VAL CA C 18 61.462 61.462 61.792 -0.330 25636 78 1 1 . 1 1 18 18 VAL CB C 18 35.247 35.247 34.284 0.963 25636 79 1 1 . 1 1 18 18 VAL H H 18 8.568 8.568 8.651 -0.083 25636 80 1 1 . 1 1 19 19 LEU N N 19 130.327 130.327 127.300 3.027 25636 81 1 1 . 1 1 19 19 LEU HA H 19 3.718 3.718 4.237 -0.519 25636 82 1 1 . 1 1 19 19 LEU CA C 19 57.467 57.467 55.433 2.034 25636 83 1 1 . 1 1 19 19 LEU CB C 19 41.862 41.862 42.700 -0.839 25636 84 1 1 . 1 1 19 19 LEU H H 19 8.670 8.670 8.502 0.168 25636 85 1 1 . 1 1 20 20 LEU N N 20 126.389 126.389 128.534 -2.145 25636 86 1 1 . 1 1 20 20 LEU HA H 20 4.588 4.588 4.347 0.241 25636 87 1 1 . 1 1 20 20 LEU CA C 20 55.873 55.873 56.255 -0.382 25636 88 1 1 . 1 1 20 20 LEU CB C 20 42.513 42.513 42.759 -0.246 25636 89 1 1 . 1 1 20 20 LEU H H 20 9.236 9.236 8.111 1.125 25636 90 1 1 . 1 1 21 21 MET N N 21 114.450 114.450 112.173 2.277 25636 91 1 1 . 1 1 21 21 MET HA H 21 4.423 4.423 4.654 -0.231 25636 92 1 1 . 1 1 21 21 MET CA C 21 56.214 56.214 54.941 1.272 25636 93 1 1 . 1 1 21 21 MET CB C 21 36.964 36.964 36.500 0.464 25636 94 1 1 . 1 1 21 21 MET H H 21 7.022 7.022 7.571 -0.549 25636 95 1 1 . 1 1 22 22 TYR N N 22 123.123 123.123 120.173 2.950 25636 96 1 1 . 1 1 22 22 TYR HA H 22 4.777 4.777 4.614 0.163 25636 97 1 1 . 1 1 22 22 TYR CA C 22 57.988 57.988 58.219 -0.232 25636 98 1 1 . 1 1 22 22 TYR CB C 22 39.356 39.356 39.139 0.216 25636 99 1 1 . 1 1 22 22 TYR H H 22 8.515 8.515 8.708 -0.193 25636 100 1 1 . 1 1 23 23 VAL N N 23 123.811 123.811 124.563 -0.752 25636 101 1 1 . 1 1 23 23 VAL HA H 23 4.371 4.371 4.422 -0.051 25636 102 1 1 . 1 1 23 23 VAL CA C 23 61.503 61.503 61.272 0.231 25636 103 1 1 . 1 1 23 23 VAL CB C 23 35.418 35.418 33.088 2.330 25636 104 1 1 . 1 1 23 23 VAL H H 23 9.417 9.417 8.743 0.674 25636 105 1 1 . 1 1 24 24 ARG N N 24 129.194 129.194 128.166 1.028 25636 106 1 1 . 1 1 24 24 ARG HA H 24 3.885 3.885 4.311 -0.426 25636 107 1 1 . 1 1 24 24 ARG CA C 24 56.784 56.784 56.266 0.518 25636 108 1 1 . 1 1 24 24 ARG CB C 24 30.178 30.178 31.235 -1.057 25636 109 1 1 . 1 1 24 24 ARG H H 24 8.892 8.892 8.808 0.084 25636 110 1 1 . 1 1 25 25 ILE N N 25 128.158 128.158 127.387 0.771 25636 111 1 1 . 1 1 25 25 ILE HA H 25 3.655 3.655 3.981 -0.326 25636 112 1 1 . 1 1 25 25 ILE CA C 25 64.879 64.879 61.375 3.504 25636 113 1 1 . 1 1 25 25 ILE CB C 25 37.154 37.154 35.470 1.684 25636 114 1 1 . 1 1 25 25 ILE H H 25 8.312 8.312 8.383 -0.071 25636 115 1 1 . 1 1 26 26 GLY N N 26 115.464 115.464 109.477 5.987 25636 116 1 1 . 1 1 26 26 GLY CA C 26 44.352 44.352 45.254 -0.902 25636 117 1 1 . 1 1 26 26 GLY H H 26 9.389 9.389 8.132 1.257 25636 118 1 1 . 1 1 27 27 THR N N 27 111.341 111.341 114.995 -3.654 25636 119 1 1 . 1 1 27 27 THR HA H 27 4.926 4.926 4.611 0.315 25636 120 1 1 . 1 1 27 27 THR CA C 27 60.299 60.299 60.561 -0.262 25636 121 1 1 . 1 1 27 27 THR CB C 27 72.194 72.194 69.924 2.270 25636 122 1 1 . 1 1 27 27 THR H H 27 7.877 7.877 7.605 0.272 25636 123 1 1 . 1 1 28 28 THR N N 28 108.952 108.952 115.989 -7.037 25636 124 1 1 . 1 1 28 28 THR HA H 28 5.353 5.353 4.545 0.808 25636 125 1 1 . 1 1 28 28 THR CA C 28 59.143 59.143 61.449 -2.306 25636 126 1 1 . 1 1 28 28 THR CB C 28 71.706 71.706 69.313 2.393 25636 127 1 1 . 1 1 28 28 THR H H 28 7.732 7.732 8.241 -0.509 25636 128 1 1 . 1 1 29 29 ALA N N 29 122.383 122.383 129.100 -6.717 25636 129 1 1 . 1 1 29 29 ALA HA H 29 4.621 4.621 4.727 -0.106 25636 130 1 1 . 1 1 29 29 ALA CA C 29 51.796 51.796 51.231 0.565 25636 131 1 1 . 1 1 29 29 ALA CB C 29 24.556 24.556 21.476 3.080 25636 132 1 1 . 1 1 29 29 ALA H H 29 8.634 8.634 8.430 0.204 25636 133 1 1 . 1 1 30 30 THR N N 30 115.881 115.881 114.128 1.753 25636 134 1 1 . 1 1 30 30 THR HA H 30 4.885 4.885 4.769 0.116 25636 135 1 1 . 1 1 30 30 THR CA C 30 62.300 62.300 61.280 1.020 25636 136 1 1 . 1 1 30 30 THR CB C 30 69.265 69.265 70.521 -1.256 25636 137 1 1 . 1 1 30 30 THR H H 30 8.317 8.317 8.107 0.210 25636 138 1 1 . 1 1 31 31 ILE N N 31 126.005 126.005 125.567 0.438 25636 139 1 1 . 1 1 31 31 ILE HA H 31 4.388 4.388 4.439 -0.051 25636 140 1 1 . 1 1 31 31 ILE CA C 31 59.562 59.562 60.278 -0.716 25636 141 1 1 . 1 1 31 31 ILE CB C 31 40.634 40.634 41.134 -0.500 25636 142 1 1 . 1 1 31 31 ILE H H 31 9.166 9.166 9.048 0.118 25636 143 1 1 . 1 1 32 32 THR N N 32 120.162 120.162 122.686 -2.524 25636 144 1 1 . 1 1 32 32 THR HA H 32 5.300 5.300 5.255 0.045 25636 145 1 1 . 1 1 32 32 THR CA C 32 60.885 60.885 60.887 -0.002 25636 146 1 1 . 1 1 32 32 THR CB C 32 69.867 69.867 69.034 0.833 25636 147 1 1 . 1 1 32 32 THR H H 32 8.441 8.441 8.600 -0.159 25636 148 1 1 . 1 1 33 33 ALA N N 33 127.525 127.525 127.378 0.147 25636 149 1 1 . 1 1 33 33 ALA HA H 33 4.644 4.644 4.760 -0.116 25636 150 1 1 . 1 1 33 33 ALA CA C 33 51.975 51.975 52.066 -0.090 25636 151 1 1 . 1 1 33 33 ALA CB C 33 22.897 22.897 21.435 1.462 25636 152 1 1 . 1 1 33 33 ALA H H 33 9.130 9.130 8.740 0.390 25636 153 1 1 . 1 1 34 34 ARG N N 34 118.330 118.330 122.114 -3.784 25636 154 1 1 . 1 1 34 34 ARG HA H 34 3.814 3.814 4.109 -0.295 25636 155 1 1 . 1 1 34 34 ARG CA C 34 57.028 57.028 56.931 0.097 25636 156 1 1 . 1 1 34 34 ARG CB C 34 27.337 27.337 27.801 -0.464 25636 157 1 1 . 1 1 34 34 ARG H H 34 9.232 9.232 9.338 -0.106 25636 158 1 1 . 1 1 35 35 GLY N N 35 104.002 104.002 104.350 -0.348 25636 159 1 1 . 1 1 35 35 GLY CA C 35 45.368 45.368 45.241 0.127 25636 160 1 1 . 1 1 35 35 GLY H H 35 8.642 8.642 8.561 0.081 25636 161 1 1 . 1 1 36 36 HIS N N 36 119.875 119.875 119.483 0.392 25636 162 1 1 . 1 1 36 36 HIS HA H 36 4.703 4.703 4.737 -0.034 25636 163 1 1 . 1 1 36 36 HIS CA C 36 54.376 54.376 55.283 -0.908 25636 164 1 1 . 1 1 36 36 HIS CB C 36 32.880 32.880 33.155 -0.275 25636 165 1 1 . 1 1 36 36 HIS H H 36 8.188 8.188 7.999 0.189 25636 166 1 1 . 1 1 37 37 GLU N N 37 119.578 119.578 121.367 -1.789 25636 167 1 1 . 1 1 37 37 GLU HA H 37 5.018 5.018 5.073 -0.055 25636 168 1 1 . 1 1 37 37 GLU CA C 37 55.092 55.092 54.527 0.565 25636 169 1 1 . 1 1 37 37 GLU CB C 37 31.863 31.863 30.407 1.456 25636 170 1 1 . 1 1 37 37 GLU H H 37 7.991 7.991 8.508 -0.517 25636 171 1 1 . 1 1 38 38 PHE N N 38 121.593 121.593 124.755 -3.162 25636 172 1 1 . 1 1 38 38 PHE HA H 38 4.755 4.755 4.716 0.039 25636 173 1 1 . 1 1 38 38 PHE CA C 38 56.442 56.442 55.961 0.482 25636 174 1 1 . 1 1 38 38 PHE CB C 38 41.569 41.569 40.392 1.177 25636 175 1 1 . 1 1 38 38 PHE H H 38 9.149 9.149 9.085 0.064 25636 176 1 1 . 1 1 39 39 GLU N N 39 125.332 125.332 127.006 -1.674 25636 177 1 1 . 1 1 39 39 GLU HA H 39 5.186 5.186 4.701 0.485 25636 178 1 1 . 1 1 39 39 GLU CA C 39 55.531 55.531 55.138 0.393 25636 179 1 1 . 1 1 39 39 GLU CB C 39 30.309 30.309 30.714 -0.405 25636 180 1 1 . 1 1 39 39 GLU H H 39 8.539 8.539 9.059 -0.520 25636 181 1 1 . 1 1 40 40 VAL N N 40 120.623 120.623 121.947 -1.324 25636 182 1 1 . 1 1 40 40 VAL HA H 40 5.396 5.396 4.932 0.464 25636 183 1 1 . 1 1 40 40 VAL CA C 40 58.517 58.517 58.614 -0.097 25636 184 1 1 . 1 1 40 40 VAL CB C 40 34.287 34.287 34.129 0.158 25636 185 1 1 . 1 1 40 40 VAL H H 40 8.773 8.773 7.674 1.099 25636 186 1 1 . 1 1 41 41 GLU N N 41 118.742 118.742 120.621 -1.879 25636 187 1 1 . 1 1 41 41 GLU HA H 41 4.553 4.553 4.551 0.002 25636 188 1 1 . 1 1 41 41 GLU CA C 41 54.359 54.359 55.194 -0.835 25636 189 1 1 . 1 1 41 41 GLU CB C 41 32.408 32.408 32.175 0.233 25636 190 1 1 . 1 1 41 41 GLU H H 41 7.973 7.973 8.529 -0.556 25636 191 1 1 . 1 1 42 42 ALA N N 42 132.540 132.540 128.254 4.286 25636 192 1 1 . 1 1 42 42 ALA HA H 42 4.662 4.662 4.639 0.023 25636 193 1 1 . 1 1 42 42 ALA CA C 42 50.446 50.446 51.274 -0.828 25636 194 1 1 . 1 1 42 42 ALA CB C 42 18.015 18.015 20.066 -2.051 25636 195 1 1 . 1 1 42 42 ALA H H 42 8.181 8.181 8.421 -0.240 25636 196 1 1 . 1 1 43 43 LYS N N 43 125.936 125.936 122.251 3.685 25636 197 1 1 . 1 1 43 43 LYS HA H 43 3.955 3.955 4.501 -0.546 25636 198 1 1 . 1 1 43 43 LYS CA C 43 59.648 59.648 56.193 3.455 25636 199 1 1 . 1 1 43 43 LYS CB C 43 34.670 34.670 33.838 0.832 25636 200 1 1 . 1 1 43 43 LYS H H 43 9.029 9.029 8.698 0.331 25636 201 1 1 . 1 1 44 44 ASP N N 44 110.443 110.443 115.487 -5.044 25636 202 1 1 . 1 1 44 44 ASP HA H 44 4.338 4.338 4.679 -0.341 25636 203 1 1 . 1 1 44 44 ASP CA C 44 53.074 53.074 54.009 -0.935 25636 204 1 1 . 1 1 44 44 ASP CB C 44 41.337 41.337 42.523 -1.186 25636 205 1 1 . 1 1 44 44 ASP H H 44 7.463 7.463 7.854 -0.391 25636 206 1 1 . 1 1 45 45 GLN N N 45 112.575 112.575 118.315 -5.740 25636 207 1 1 . 1 1 45 45 GLN HA H 45 4.064 4.064 3.946 0.118 25636 208 1 1 . 1 1 45 45 GLN CA C 45 57.663 57.663 58.139 -0.476 25636 209 1 1 . 1 1 45 45 GLN CB C 45 28.047 28.047 29.049 -1.002 25636 210 1 1 . 1 1 45 45 GLN H H 45 8.370 8.370 8.316 0.054 25636 211 1 1 . 1 1 46 46 ASN N N 46 117.659 117.659 117.748 -0.089 25636 212 1 1 . 1 1 46 46 ASN HA H 46 4.536 4.536 4.684 -0.148 25636 213 1 1 . 1 1 46 46 ASN CA C 46 55.271 55.271 53.300 1.971 25636 214 1 1 . 1 1 46 46 ASN CB C 46 38.046 38.046 37.332 0.714 25636 215 1 1 . 1 1 46 46 ASN H H 46 8.704 8.704 8.321 0.383 25636 216 1 1 . 1 1 47 47 CYS N N 47 112.520 112.520 121.027 -8.507 25636 217 1 1 . 1 1 47 47 CYS HA H 47 4.397 4.397 4.605 -0.208 25636 218 1 1 . 1 1 47 47 CYS CA C 47 55.075 55.075 58.530 -3.455 25636 219 1 1 . 1 1 47 47 CYS CB C 47 36.199 36.199 28.860 7.339 25636 220 1 1 . 1 1 47 47 CYS H H 47 8.486 8.486 8.057 0.429 25636 221 1 1 . 1 1 48 48 LYS N N 48 116.117 116.117 124.421 -8.304 25636 222 1 1 . 1 1 48 48 LYS HA H 48 4.130 4.130 4.562 -0.432 25636 223 1 1 . 1 1 48 48 LYS CA C 48 56.865 56.865 55.091 1.774 25636 224 1 1 . 1 1 48 48 LYS CB C 48 32.180 32.180 34.655 -2.475 25636 225 1 1 . 1 1 48 48 LYS H H 48 7.970 7.970 8.367 -0.397 25636 226 1 1 . 1 1 49 49 VAL N N 49 126.872 126.872 120.385 6.487 25636 227 1 1 . 1 1 49 49 VAL HA H 49 3.632 3.632 4.041 -0.409 25636 228 1 1 . 1 1 49 49 VAL CA C 49 64.782 64.782 63.433 1.349 25636 229 1 1 . 1 1 49 49 VAL CB C 49 30.317 30.317 31.622 -1.305 25636 230 1 1 . 1 1 49 49 VAL H H 49 8.951 8.951 8.499 0.452 25636 231 1 1 . 1 1 50 50 ILE N N 50 132.487 132.487 126.479 6.008 25636 232 1 1 . 1 1 50 50 ILE HA H 50 4.135 4.135 4.356 -0.221 25636 233 1 1 . 1 1 50 50 ILE CA C 50 60.535 60.535 60.345 0.190 25636 234 1 1 . 1 1 50 50 ILE CB C 50 41.659 41.659 42.069 -0.409 25636 235 1 1 . 1 1 50 50 ILE H H 50 8.666 8.666 7.587 1.079 25636 236 1 1 . 1 1 51 51 LEU N N 51 125.179 125.179 123.874 1.305 25636 237 1 1 . 1 1 51 51 LEU HA H 51 5.250 5.250 5.383 -0.133 25636 238 1 1 . 1 1 51 51 LEU CA C 51 53.245 53.245 53.348 -0.103 25636 239 1 1 . 1 1 51 51 LEU CB C 51 41.146 41.146 44.618 -3.472 25636 240 1 1 . 1 1 51 51 LEU H H 51 8.789 8.789 8.147 0.642 25636 241 1 1 . 1 1 52 52 THR N N 52 115.511 115.511 112.304 3.207 25636 242 1 1 . 1 1 52 52 THR HA H 52 4.079 4.079 4.317 -0.238 25636 243 1 1 . 1 1 52 52 THR CA C 52 63.822 63.822 63.232 0.590 25636 244 1 1 . 1 1 52 52 THR CB C 52 68.335 68.335 68.903 -0.569 25636 245 1 1 . 1 1 52 52 THR H H 52 8.528 8.528 8.573 -0.045 25636 246 1 1 . 1 1 53 53 ASN N N 53 116.941 116.941 119.348 -2.407 25636 247 1 1 . 1 1 53 53 ASN HA H 53 4.514 4.514 4.820 -0.306 25636 248 1 1 . 1 1 53 53 ASN CA C 53 52.740 52.740 52.639 0.101 25636 249 1 1 . 1 1 53 53 ASN CB C 53 37.314 37.314 38.115 -0.801 25636 250 1 1 . 1 1 53 53 ASN H H 53 8.149 8.149 7.826 0.323 25636 251 1 1 . 1 1 54 54 GLY N N 54 106.580 106.580 106.122 0.458 25636 252 1 1 . 1 1 54 54 GLY CA C 54 45.735 45.735 45.830 -0.095 25636 253 1 1 . 1 1 54 54 GLY H H 54 7.949 7.949 8.476 -0.527 25636 254 1 1 . 1 1 55 55 LYS N N 55 120.679 120.679 118.184 2.495 25636 255 1 1 . 1 1 55 55 LYS HA H 55 4.251 4.251 4.565 -0.314 25636 256 1 1 . 1 1 55 55 LYS CA C 55 55.848 55.848 54.708 1.140 25636 257 1 1 . 1 1 55 55 LYS CB C 55 32.595 32.595 36.010 -3.415 25636 258 1 1 . 1 1 55 55 LYS H H 55 7.806 7.806 7.786 0.020 25636 259 1 1 . 1 1 56 56 GLN N N 56 119.471 119.471 118.308 1.163 25636 260 1 1 . 1 1 56 56 GLN HA H 56 4.114 4.114 4.616 -0.502 25636 261 1 1 . 1 1 56 56 GLN CA C 56 55.865 55.865 53.983 1.882 25636 262 1 1 . 1 1 56 56 GLN CB C 56 29.228 29.228 30.606 -1.378 25636 263 1 1 . 1 1 56 56 GLN H H 56 8.241 8.241 8.324 -0.083 25636 264 1 1 . 1 1 57 57 ALA N N 57 129.241 129.241 125.188 4.053 25636 265 1 1 . 1 1 57 57 ALA HA H 57 4.136 4.136 3.956 0.180 25636 266 1 1 . 1 1 57 57 ALA CA C 57 50.210 50.210 51.088 -0.878 25636 267 1 1 . 1 1 57 57 ALA CB C 57 18.056 18.056 17.340 0.716 25636 268 1 1 . 1 1 57 57 ALA H H 57 8.667 8.667 8.466 0.201 25636 269 1 1 . 1 1 58 58 PRO HA H 58 4.181 4.181 4.277 -0.096 25636 270 1 1 . 1 1 58 58 PRO CA C 58 62.162 62.162 61.818 0.344 25636 271 1 1 . 1 1 58 58 PRO CB C 58 31.226 31.226 31.834 -0.608 25636 272 1 1 . 1 1 59 59 ASP N N 59 120.839 120.839 116.918 3.921 25636 273 1 1 . 1 1 59 59 ASP HA H 59 4.151 4.151 4.484 -0.333 25636 274 1 1 . 1 1 59 59 ASP CA C 59 56.483 56.483 55.351 1.132 25636 275 1 1 . 1 1 59 59 ASP CB C 59 40.568 40.568 40.968 -0.400 25636 276 1 1 . 1 1 59 59 ASP H H 59 8.576 8.576 8.465 0.111 25636 277 1 1 . 1 1 60 60 TRP N N 60 114.095 114.095 116.885 -2.790 25636 278 1 1 . 1 1 60 60 TRP HA H 60 4.460 4.460 4.827 -0.367 25636 279 1 1 . 1 1 60 60 TRP CA C 60 54.579 54.579 55.022 -0.443 25636 280 1 1 . 1 1 60 60 TRP CB C 60 29.366 29.366 28.621 0.745 25636 281 1 1 . 1 1 60 60 TRP H H 60 6.701 6.701 7.177 -0.476 25636 282 1 1 . 1 1 61 61 LEU N N 61 123.142 123.142 121.454 1.688 25636 283 1 1 . 1 1 61 61 LEU HA H 61 4.743 4.743 4.282 0.461 25636 284 1 1 . 1 1 61 61 LEU CA C 61 54.839 54.839 53.099 1.740 25636 285 1 1 . 1 1 61 61 LEU CB C 61 42.083 42.083 43.283 -1.200 25636 286 1 1 . 1 1 61 61 LEU H H 61 6.541 6.541 6.940 -0.399 25636 287 1 1 . 1 1 62 62 ALA N N 62 131.106 131.106 125.958 5.148 25636 288 1 1 . 1 1 62 62 ALA HA H 62 4.644 4.644 4.513 0.131 25636 289 1 1 . 1 1 62 62 ALA CA C 62 50.478 50.478 51.127 -0.649 25636 290 1 1 . 1 1 62 62 ALA CB C 62 23.434 23.434 21.674 1.760 25636 291 1 1 . 1 1 62 62 ALA H H 62 8.993 8.993 7.592 1.401 25636 292 1 1 . 1 1 63 63 ALA N N 63 118.796 118.796 121.709 -2.913 25636 293 1 1 . 1 1 63 63 ALA HA H 63 5.633 5.633 4.892 0.741 25636 294 1 1 . 1 1 63 63 ALA CA C 63 51.143 51.143 51.783 -0.640 25636 295 1 1 . 1 1 63 63 ALA CB C 63 22.490 22.490 20.864 1.626 25636 296 1 1 . 1 1 63 63 ALA H H 63 8.139 8.139 8.297 -0.158 25636 297 1 1 . 1 1 64 64 GLU N N 64 116.715 116.715 124.181 -7.466 25636 298 1 1 . 1 1 64 64 GLU HA H 64 4.902 4.902 4.859 0.043 25636 299 1 1 . 1 1 64 64 GLU CA C 64 53.009 53.009 53.380 -0.371 25636 300 1 1 . 1 1 64 64 GLU CB C 64 32.619 32.619 31.276 1.343 25636 301 1 1 . 1 1 64 64 GLU H H 64 8.563 8.563 8.293 0.270 25636 302 1 1 . 1 1 65 65 PRO HA H 65 5.486 5.486 4.405 1.081 25636 303 1 1 . 1 1 65 65 PRO CA C 65 62.878 62.878 63.417 -0.540 25636 304 1 1 . 1 1 65 65 PRO CB C 65 32.606 32.606 32.417 0.189 25636 305 1 2 . 1 1 2 2 PRO HA H 2 4.386 4.386 4.525 -0.139 25636 306 1 2 . 1 1 2 2 PRO CA C 2 62.756 62.756 62.263 0.493 25636 307 1 2 . 1 1 2 2 PRO CB C 2 32.034 32.034 32.610 -0.576 25636 308 1 2 . 1 1 3 3 ALA N N 3 124.343 124.343 124.229 0.114 25636 309 1 2 . 1 1 3 3 ALA HA H 3 4.306 4.306 4.435 -0.129 25636 310 1 2 . 1 1 3 3 ALA CA C 3 52.756 52.756 51.749 1.007 25636 311 1 2 . 1 1 3 3 ALA CB C 3 19.935 19.935 19.225 0.710 25636 312 1 2 . 1 1 3 3 ALA H H 3 8.192 8.192 8.257 -0.065 25636 313 1 2 . 1 1 4 4 ARG N N 4 119.928 119.928 121.893 -1.965 25636 314 1 2 . 1 1 4 4 ARG HA H 4 4.323 4.323 4.858 -0.535 25636 315 1 2 . 1 1 4 4 ARG CA C 4 56.231 56.231 55.069 1.162 25636 316 1 2 . 1 1 4 4 ARG CB C 4 33.629 33.629 33.448 0.181 25636 317 1 2 . 1 1 4 4 ARG H H 4 9.195 9.195 8.576 0.619 25636 318 1 2 . 1 1 5 5 PHE N N 5 119.084 119.084 118.618 0.466 25636 319 1 2 . 1 1 5 5 PHE HA H 5 5.321 5.321 4.784 0.537 25636 320 1 2 . 1 1 5 5 PHE CA C 5 56.914 56.914 57.706 -0.792 25636 321 1 2 . 1 1 5 5 PHE CB C 5 43.554 43.554 42.997 0.557 25636 322 1 2 . 1 1 5 5 PHE H H 5 9.242 9.242 8.481 0.761 25636 323 1 2 . 1 1 6 6 CYS N N 6 116.173 116.173 119.875 -3.702 25636 324 1 2 . 1 1 6 6 CYS HA H 6 5.281 5.281 4.925 0.356 25636 325 1 2 . 1 1 6 6 CYS CA C 6 54.262 54.262 58.414 -4.152 25636 326 1 2 . 1 1 6 6 CYS CB C 6 39.730 39.730 30.653 9.077 25636 327 1 2 . 1 1 6 6 CYS H H 6 9.204 9.204 8.651 0.553 25636 328 1 2 . 1 1 7 7 VAL N N 7 126.228 126.228 119.287 6.941 25636 329 1 2 . 1 1 7 7 VAL HA H 7 4.314 4.314 4.386 -0.072 25636 330 1 2 . 1 1 7 7 VAL CA C 7 60.665 60.665 60.917 -0.252 25636 331 1 2 . 1 1 7 7 VAL CB C 7 32.359 32.359 35.145 -2.786 25636 332 1 2 . 1 1 7 7 VAL H H 7 9.474 9.474 8.368 1.106 25636 333 1 2 . 1 1 8 8 TYR N N 8 123.478 123.478 124.158 -0.680 25636 334 1 2 . 1 1 8 8 TYR HA H 8 5.120 5.120 4.586 0.534 25636 335 1 2 . 1 1 8 8 TYR CA C 8 57.174 57.174 56.396 0.778 25636 336 1 2 . 1 1 8 8 TYR CB C 8 40.918 40.918 41.553 -0.636 25636 337 1 2 . 1 1 8 8 TYR H H 8 8.195 8.195 7.741 0.454 25636 338 1 2 . 1 1 9 9 TYR N N 9 119.745 119.745 121.964 -2.219 25636 339 1 2 . 1 1 9 9 TYR HA H 9 5.209 5.209 4.772 0.437 25636 340 1 2 . 1 1 9 9 TYR CA C 9 56.930 56.930 56.645 0.284 25636 341 1 2 . 1 1 9 9 TYR CB C 9 44.026 44.026 41.975 2.051 25636 342 1 2 . 1 1 9 9 TYR H H 9 9.410 9.410 7.858 1.552 25636 343 1 2 . 1 1 10 10 ASP N N 10 118.515 118.515 119.362 -0.847 25636 344 1 2 . 1 1 10 10 ASP HA H 10 5.203 5.203 4.972 0.231 25636 345 1 2 . 1 1 10 10 ASP CA C 10 52.879 52.879 52.731 0.148 25636 346 1 2 . 1 1 10 10 ASP CB C 10 41.522 41.522 45.321 -3.799 25636 347 1 2 . 1 1 10 10 ASP H H 10 8.948 8.948 8.383 0.565 25636 348 1 2 . 1 1 11 11 GLY N N 11 114.853 114.853 108.883 5.970 25636 349 1 2 . 1 1 11 11 GLY CA C 11 44.213 44.213 46.546 -2.333 25636 350 1 2 . 1 1 11 11 GLY H H 11 9.014 9.014 8.526 0.488 25636 351 1 2 . 1 1 12 12 HIS N N 12 114.423 114.423 121.605 -7.182 25636 352 1 2 . 1 1 12 12 HIS HA H 12 4.415 4.415 4.466 -0.051 25636 353 1 2 . 1 1 12 12 HIS CA C 12 56.572 56.572 54.753 1.819 25636 354 1 2 . 1 1 12 12 HIS CB C 12 32.017 32.017 33.421 -1.404 25636 355 1 2 . 1 1 12 12 HIS H H 12 8.133 8.133 7.785 0.348 25636 356 1 2 . 1 1 13 13 LEU N N 13 123.763 123.763 124.525 -0.762 25636 357 1 2 . 1 1 13 13 LEU HA H 13 4.777 4.777 4.242 0.535 25636 358 1 2 . 1 1 13 13 LEU CA C 13 52.049 52.049 54.262 -2.213 25636 359 1 2 . 1 1 13 13 LEU CB C 13 41.569 41.569 42.563 -0.994 25636 360 1 2 . 1 1 13 13 LEU H H 13 8.385 8.385 8.640 -0.255 25636 361 1 2 . 1 1 14 14 PRO HA H 14 3.707 3.707 4.325 -0.618 25636 362 1 2 . 1 1 14 14 PRO CA C 14 65.579 65.579 64.170 1.409 25636 363 1 2 . 1 1 14 14 PRO CB C 14 31.895 31.895 31.857 0.038 25636 364 1 2 . 1 1 15 15 ALA N N 15 115.114 115.114 121.820 -6.706 25636 365 1 2 . 1 1 15 15 ALA HA H 15 4.149 4.149 4.246 -0.097 25636 366 1 2 . 1 1 15 15 ALA CA C 15 54.628 54.628 54.044 0.584 25636 367 1 2 . 1 1 15 15 ALA CB C 15 19.577 19.577 19.362 0.215 25636 368 1 2 . 1 1 15 15 ALA H H 15 8.162 8.162 8.133 0.029 25636 369 1 2 . 1 1 16 16 THR N N 16 102.057 102.057 111.182 -9.125 25636 370 1 2 . 1 1 16 16 THR HA H 16 4.553 4.553 4.380 0.173 25636 371 1 2 . 1 1 16 16 THR CA C 16 60.331 60.331 61.367 -1.036 25636 372 1 2 . 1 1 16 16 THR CB C 16 70.574 70.574 70.048 0.526 25636 373 1 2 . 1 1 16 16 THR H H 16 7.153 7.153 7.616 -0.463 25636 374 1 2 . 1 1 17 17 ARG N N 17 122.509 122.509 123.533 -1.024 25636 375 1 2 . 1 1 17 17 ARG HA H 17 4.716 4.716 4.183 0.533 25636 376 1 2 . 1 1 17 17 ARG CA C 17 56.296 56.296 57.752 -1.456 25636 377 1 2 . 1 1 17 17 ARG CB C 17 30.021 30.021 30.852 -0.831 25636 378 1 2 . 1 1 17 17 ARG H H 17 7.901 7.901 7.720 0.181 25636 379 1 2 . 1 1 18 18 VAL N N 18 122.027 122.027 122.438 -0.411 25636 380 1 2 . 1 1 18 18 VAL HA H 18 4.293 4.293 4.220 0.073 25636 381 1 2 . 1 1 18 18 VAL CA C 18 61.462 61.462 61.408 0.054 25636 382 1 2 . 1 1 18 18 VAL CB C 18 35.247 35.247 33.780 1.467 25636 383 1 2 . 1 1 18 18 VAL H H 18 8.568 8.568 8.655 -0.087 25636 384 1 2 . 1 1 19 19 LEU N N 19 130.327 130.327 127.256 3.071 25636 385 1 2 . 1 1 19 19 LEU HA H 19 3.718 3.718 4.359 -0.641 25636 386 1 2 . 1 1 19 19 LEU CA C 19 57.467 57.467 55.409 2.058 25636 387 1 2 . 1 1 19 19 LEU CB C 19 41.862 41.862 42.660 -0.798 25636 388 1 2 . 1 1 19 19 LEU H H 19 8.670 8.670 8.507 0.163 25636 389 1 2 . 1 1 20 20 LEU N N 20 126.389 126.389 128.448 -2.059 25636 390 1 2 . 1 1 20 20 LEU HA H 20 4.588 4.588 4.315 0.273 25636 391 1 2 . 1 1 20 20 LEU CA C 20 55.873 55.873 56.389 -0.516 25636 392 1 2 . 1 1 20 20 LEU CB C 20 42.513 42.513 42.589 -0.076 25636 393 1 2 . 1 1 20 20 LEU H H 20 9.236 9.236 8.285 0.951 25636 394 1 2 . 1 1 21 21 MET N N 21 114.450 114.450 111.848 2.602 25636 395 1 2 . 1 1 21 21 MET HA H 21 4.423 4.423 4.530 -0.107 25636 396 1 2 . 1 1 21 21 MET CA C 21 56.214 56.214 55.208 1.006 25636 397 1 2 . 1 1 21 21 MET CB C 21 36.964 36.964 36.430 0.534 25636 398 1 2 . 1 1 21 21 MET H H 21 7.022 7.022 7.468 -0.446 25636 399 1 2 . 1 1 22 22 TYR N N 22 123.123 123.123 120.182 2.941 25636 400 1 2 . 1 1 22 22 TYR HA H 22 4.777 4.777 4.615 0.162 25636 401 1 2 . 1 1 22 22 TYR CA C 22 57.988 57.988 58.292 -0.304 25636 402 1 2 . 1 1 22 22 TYR CB C 22 39.356 39.356 39.208 0.148 25636 403 1 2 . 1 1 22 22 TYR H H 22 8.515 8.515 8.560 -0.045 25636 404 1 2 . 1 1 23 23 VAL N N 23 123.811 123.811 124.895 -1.084 25636 405 1 2 . 1 1 23 23 VAL HA H 23 4.371 4.371 4.411 -0.040 25636 406 1 2 . 1 1 23 23 VAL CA C 23 61.503 61.503 60.921 0.582 25636 407 1 2 . 1 1 23 23 VAL CB C 23 35.418 35.418 33.698 1.720 25636 408 1 2 . 1 1 23 23 VAL H H 23 9.417 9.417 8.730 0.687 25636 409 1 2 . 1 1 24 24 ARG N N 24 129.194 129.194 127.850 1.344 25636 410 1 2 . 1 1 24 24 ARG HA H 24 3.885 3.885 4.354 -0.469 25636 411 1 2 . 1 1 24 24 ARG CA C 24 56.784 56.784 55.889 0.895 25636 412 1 2 . 1 1 24 24 ARG CB C 24 30.178 30.178 31.427 -1.249 25636 413 1 2 . 1 1 24 24 ARG H H 24 8.892 8.892 8.872 0.020 25636 414 1 2 . 1 1 25 25 ILE N N 25 128.158 128.158 127.231 0.927 25636 415 1 2 . 1 1 25 25 ILE HA H 25 3.655 3.655 4.008 -0.353 25636 416 1 2 . 1 1 25 25 ILE CA C 25 64.879 64.879 61.436 3.443 25636 417 1 2 . 1 1 25 25 ILE CB C 25 37.154 37.154 35.426 1.728 25636 418 1 2 . 1 1 25 25 ILE H H 25 8.312 8.312 8.400 -0.088 25636 419 1 2 . 1 1 26 26 GLY N N 26 115.464 115.464 110.617 4.847 25636 420 1 2 . 1 1 26 26 GLY CA C 26 44.352 44.352 45.424 -1.072 25636 421 1 2 . 1 1 26 26 GLY H H 26 9.389 9.389 8.328 1.061 25636 422 1 2 . 1 1 27 27 THR N N 27 111.341 111.341 115.285 -3.944 25636 423 1 2 . 1 1 27 27 THR HA H 27 4.926 4.926 4.689 0.237 25636 424 1 2 . 1 1 27 27 THR CA C 27 60.299 60.299 60.900 -0.601 25636 425 1 2 . 1 1 27 27 THR CB C 27 72.194 72.194 70.355 1.839 25636 426 1 2 . 1 1 27 27 THR H H 27 7.877 7.877 7.651 0.226 25636 427 1 2 . 1 1 28 28 THR N N 28 108.952 108.952 115.754 -6.802 25636 428 1 2 . 1 1 28 28 THR HA H 28 5.353 5.353 4.512 0.841 25636 429 1 2 . 1 1 28 28 THR CA C 28 59.143 59.143 61.480 -2.337 25636 430 1 2 . 1 1 28 28 THR CB C 28 71.706 71.706 69.268 2.438 25636 431 1 2 . 1 1 28 28 THR H H 28 7.732 7.732 8.211 -0.479 25636 432 1 2 . 1 1 29 29 ALA N N 29 122.383 122.383 129.881 -7.498 25636 433 1 2 . 1 1 29 29 ALA HA H 29 4.621 4.621 4.686 -0.065 25636 434 1 2 . 1 1 29 29 ALA CA C 29 51.796 51.796 51.195 0.601 25636 435 1 2 . 1 1 29 29 ALA CB C 29 24.556 24.556 21.807 2.749 25636 436 1 2 . 1 1 29 29 ALA H H 29 8.634 8.634 8.502 0.132 25636 437 1 2 . 1 1 30 30 THR N N 30 115.881 115.881 114.356 1.525 25636 438 1 2 . 1 1 30 30 THR HA H 30 4.885 4.885 4.793 0.092 25636 439 1 2 . 1 1 30 30 THR CA C 30 62.300 62.300 61.137 1.163 25636 440 1 2 . 1 1 30 30 THR CB C 30 69.265 69.265 70.496 -1.231 25636 441 1 2 . 1 1 30 30 THR H H 30 8.317 8.317 8.093 0.224 25636 442 1 2 . 1 1 31 31 ILE N N 31 126.005 126.005 124.666 1.339 25636 443 1 2 . 1 1 31 31 ILE HA H 31 4.388 4.388 4.475 -0.087 25636 444 1 2 . 1 1 31 31 ILE CA C 31 59.562 59.562 60.031 -0.469 25636 445 1 2 . 1 1 31 31 ILE CB C 31 40.634 40.634 41.172 -0.538 25636 446 1 2 . 1 1 31 31 ILE H H 31 9.166 9.166 9.060 0.106 25636 447 1 2 . 1 1 32 32 THR N N 32 120.162 120.162 121.820 -1.658 25636 448 1 2 . 1 1 32 32 THR HA H 32 5.300 5.300 5.294 0.006 25636 449 1 2 . 1 1 32 32 THR CA C 32 60.885 60.885 60.690 0.195 25636 450 1 2 . 1 1 32 32 THR CB C 32 69.867 69.867 69.454 0.413 25636 451 1 2 . 1 1 32 32 THR H H 32 8.441 8.441 8.518 -0.078 25636 452 1 2 . 1 1 33 33 ALA N N 33 127.525 127.525 127.228 0.297 25636 453 1 2 . 1 1 33 33 ALA HA H 33 4.644 4.644 4.688 -0.044 25636 454 1 2 . 1 1 33 33 ALA CA C 33 51.975 51.975 52.082 -0.107 25636 455 1 2 . 1 1 33 33 ALA CB C 33 22.897 22.897 21.815 1.082 25636 456 1 2 . 1 1 33 33 ALA H H 33 9.130 9.130 8.783 0.347 25636 457 1 2 . 1 1 34 34 ARG N N 34 118.330 118.330 121.072 -2.742 25636 458 1 2 . 1 1 34 34 ARG HA H 34 3.814 3.814 3.957 -0.143 25636 459 1 2 . 1 1 34 34 ARG CA C 34 57.028 57.028 56.753 0.275 25636 460 1 2 . 1 1 34 34 ARG CB C 34 27.337 27.337 28.216 -0.879 25636 461 1 2 . 1 1 34 34 ARG H H 34 9.232 9.232 9.269 -0.037 25636 462 1 2 . 1 1 35 35 GLY N N 35 104.002 104.002 102.112 1.890 25636 463 1 2 . 1 1 35 35 GLY CA C 35 45.368 45.368 45.586 -0.218 25636 464 1 2 . 1 1 35 35 GLY H H 35 8.642 8.642 8.666 -0.024 25636 465 1 2 . 1 1 36 36 HIS N N 36 119.875 119.875 118.544 1.331 25636 466 1 2 . 1 1 36 36 HIS HA H 36 4.703 4.703 4.649 0.054 25636 467 1 2 . 1 1 36 36 HIS CA C 36 54.376 54.376 54.895 -0.520 25636 468 1 2 . 1 1 36 36 HIS CB C 36 32.880 32.880 33.343 -0.463 25636 469 1 2 . 1 1 36 36 HIS H H 36 8.188 8.188 7.920 0.268 25636 470 1 2 . 1 1 37 37 GLU N N 37 119.578 119.578 122.019 -2.441 25636 471 1 2 . 1 1 37 37 GLU HA H 37 5.018 5.018 4.889 0.129 25636 472 1 2 . 1 1 37 37 GLU CA C 37 55.092 55.092 55.796 -0.704 25636 473 1 2 . 1 1 37 37 GLU CB C 37 31.863 31.863 31.102 0.761 25636 474 1 2 . 1 1 37 37 GLU H H 37 7.991 7.991 8.595 -0.605 25636 475 1 2 . 1 1 38 38 PHE N N 38 121.593 121.593 125.156 -3.563 25636 476 1 2 . 1 1 38 38 PHE HA H 38 4.755 4.755 4.791 -0.036 25636 477 1 2 . 1 1 38 38 PHE CA C 38 56.442 56.442 55.823 0.619 25636 478 1 2 . 1 1 38 38 PHE CB C 38 41.569 41.569 41.047 0.522 25636 479 1 2 . 1 1 38 38 PHE H H 38 9.149 9.149 9.139 0.010 25636 480 1 2 . 1 1 39 39 GLU N N 39 125.332 125.332 126.339 -1.007 25636 481 1 2 . 1 1 39 39 GLU HA H 39 5.186 5.186 4.680 0.506 25636 482 1 2 . 1 1 39 39 GLU CA C 39 55.531 55.531 55.336 0.195 25636 483 1 2 . 1 1 39 39 GLU CB C 39 30.309 30.309 30.229 0.080 25636 484 1 2 . 1 1 39 39 GLU H H 39 8.539 8.539 9.035 -0.496 25636 485 1 2 . 1 1 40 40 VAL N N 40 120.623 120.623 121.203 -0.580 25636 486 1 2 . 1 1 40 40 VAL HA H 40 5.396 5.396 4.806 0.590 25636 487 1 2 . 1 1 40 40 VAL CA C 40 58.517 58.517 59.633 -1.116 25636 488 1 2 . 1 1 40 40 VAL CB C 40 34.287 34.287 34.365 -0.079 25636 489 1 2 . 1 1 40 40 VAL H H 40 8.773 8.773 7.568 1.205 25636 490 1 2 . 1 1 41 41 GLU N N 41 118.742 118.742 121.577 -2.835 25636 491 1 2 . 1 1 41 41 GLU HA H 41 4.553 4.553 4.575 -0.022 25636 492 1 2 . 1 1 41 41 GLU CA C 41 54.359 54.359 55.193 -0.834 25636 493 1 2 . 1 1 41 41 GLU CB C 41 32.408 32.408 32.267 0.141 25636 494 1 2 . 1 1 41 41 GLU H H 41 7.973 7.973 8.569 -0.596 25636 495 1 2 . 1 1 42 42 ALA N N 42 132.540 132.540 127.277 5.263 25636 496 1 2 . 1 1 42 42 ALA HA H 42 4.662 4.662 4.605 0.057 25636 497 1 2 . 1 1 42 42 ALA CA C 42 50.446 50.446 51.320 -0.874 25636 498 1 2 . 1 1 42 42 ALA CB C 42 18.015 18.015 19.797 -1.782 25636 499 1 2 . 1 1 42 42 ALA H H 42 8.181 8.181 8.523 -0.342 25636 500 1 2 . 1 1 43 43 LYS N N 43 125.936 125.936 122.134 3.802 25636 501 1 2 . 1 1 43 43 LYS HA H 43 3.955 3.955 4.397 -0.443 25636 502 1 2 . 1 1 43 43 LYS CA C 43 59.648 59.648 56.530 3.118 25636 503 1 2 . 1 1 43 43 LYS CB C 43 34.670 34.670 33.476 1.194 25636 504 1 2 . 1 1 43 43 LYS H H 43 9.029 9.029 8.777 0.252 25636 505 1 2 . 1 1 44 44 ASP N N 44 110.443 110.443 116.549 -6.106 25636 506 1 2 . 1 1 44 44 ASP HA H 44 4.338 4.338 4.632 -0.294 25636 507 1 2 . 1 1 44 44 ASP CA C 44 53.074 53.074 53.847 -0.773 25636 508 1 2 . 1 1 44 44 ASP CB C 44 41.337 41.337 42.505 -1.167 25636 509 1 2 . 1 1 44 44 ASP H H 44 7.463 7.463 7.768 -0.305 25636 510 1 2 . 1 1 45 45 GLN N N 45 112.575 112.575 118.641 -6.066 25636 511 1 2 . 1 1 45 45 GLN HA H 45 4.064 4.064 4.009 0.055 25636 512 1 2 . 1 1 45 45 GLN CA C 45 57.663 57.663 57.998 -0.335 25636 513 1 2 . 1 1 45 45 GLN CB C 45 28.047 28.047 28.873 -0.826 25636 514 1 2 . 1 1 45 45 GLN H H 45 8.370 8.370 8.576 -0.206 25636 515 1 2 . 1 1 46 46 ASN N N 46 117.659 117.659 118.359 -0.700 25636 516 1 2 . 1 1 46 46 ASN HA H 46 4.536 4.536 4.738 -0.202 25636 517 1 2 . 1 1 46 46 ASN CA C 46 55.271 55.271 52.863 2.408 25636 518 1 2 . 1 1 46 46 ASN CB C 46 38.046 38.046 37.867 0.180 25636 519 1 2 . 1 1 46 46 ASN H H 46 8.704 8.704 8.314 0.390 25636 520 1 2 . 1 1 47 47 CYS N N 47 112.520 112.520 120.813 -8.293 25636 521 1 2 . 1 1 47 47 CYS HA H 47 4.397 4.397 4.628 -0.231 25636 522 1 2 . 1 1 47 47 CYS CA C 47 55.075 55.075 58.368 -3.293 25636 523 1 2 . 1 1 47 47 CYS CB C 47 36.199 36.199 28.473 7.726 25636 524 1 2 . 1 1 47 47 CYS H H 47 8.486 8.486 8.056 0.430 25636 525 1 2 . 1 1 48 48 LYS N N 48 116.117 116.117 124.273 -8.156 25636 526 1 2 . 1 1 48 48 LYS HA H 48 4.130 4.130 4.554 -0.424 25636 527 1 2 . 1 1 48 48 LYS CA C 48 56.865 56.865 55.105 1.760 25636 528 1 2 . 1 1 48 48 LYS CB C 48 32.180 32.180 34.695 -2.515 25636 529 1 2 . 1 1 48 48 LYS H H 48 7.970 7.970 8.370 -0.400 25636 530 1 2 . 1 1 49 49 VAL N N 49 126.872 126.872 120.099 6.773 25636 531 1 2 . 1 1 49 49 VAL HA H 49 3.632 3.632 4.068 -0.436 25636 532 1 2 . 1 1 49 49 VAL CA C 49 64.782 64.782 63.432 1.350 25636 533 1 2 . 1 1 49 49 VAL CB C 49 30.317 30.317 31.632 -1.315 25636 534 1 2 . 1 1 49 49 VAL H H 49 8.951 8.951 8.493 0.458 25636 535 1 2 . 1 1 50 50 ILE N N 50 132.487 132.487 126.285 6.202 25636 536 1 2 . 1 1 50 50 ILE HA H 50 4.135 4.135 4.355 -0.220 25636 537 1 2 . 1 1 50 50 ILE CA C 50 60.535 60.535 60.289 0.246 25636 538 1 2 . 1 1 50 50 ILE CB C 50 41.659 41.659 42.063 -0.404 25636 539 1 2 . 1 1 50 50 ILE H H 50 8.666 8.666 7.577 1.089 25636 540 1 2 . 1 1 51 51 LEU N N 51 125.179 125.179 123.713 1.466 25636 541 1 2 . 1 1 51 51 LEU HA H 51 5.250 5.250 5.334 -0.084 25636 542 1 2 . 1 1 51 51 LEU CA C 51 53.245 53.245 53.361 -0.116 25636 543 1 2 . 1 1 51 51 LEU CB C 51 41.146 41.146 44.662 -3.516 25636 544 1 2 . 1 1 51 51 LEU H H 51 8.789 8.789 8.105 0.684 25636 545 1 2 . 1 1 52 52 THR N N 52 115.511 115.511 113.571 1.940 25636 546 1 2 . 1 1 52 52 THR HA H 52 4.079 4.079 4.283 -0.204 25636 547 1 2 . 1 1 52 52 THR CA C 52 63.822 63.822 63.666 0.156 25636 548 1 2 . 1 1 52 52 THR CB C 52 68.335 68.335 68.805 -0.470 25636 549 1 2 . 1 1 52 52 THR H H 52 8.528 8.528 8.688 -0.161 25636 550 1 2 . 1 1 53 53 ASN N N 53 116.941 116.941 120.166 -3.225 25636 551 1 2 . 1 1 53 53 ASN HA H 53 4.514 4.514 4.758 -0.244 25636 552 1 2 . 1 1 53 53 ASN CA C 53 52.740 52.740 51.797 0.943 25636 553 1 2 . 1 1 53 53 ASN CB C 53 37.314 37.314 36.931 0.383 25636 554 1 2 . 1 1 53 53 ASN H H 53 8.149 8.149 7.918 0.231 25636 555 1 2 . 1 1 54 54 GLY N N 54 106.580 106.580 106.579 0.001 25636 556 1 2 . 1 1 54 54 GLY CA C 54 45.735 45.735 45.846 -0.112 25636 557 1 2 . 1 1 54 54 GLY H H 54 7.949 7.949 8.487 -0.538 25636 558 1 2 . 1 1 55 55 LYS N N 55 120.679 120.679 118.367 2.312 25636 559 1 2 . 1 1 55 55 LYS HA H 55 4.251 4.251 4.572 -0.321 25636 560 1 2 . 1 1 55 55 LYS CA C 55 55.848 55.848 54.815 1.034 25636 561 1 2 . 1 1 55 55 LYS CB C 55 32.595 32.595 36.074 -3.479 25636 562 1 2 . 1 1 55 55 LYS H H 55 7.806 7.806 7.753 0.053 25636 563 1 2 . 1 1 56 56 GLN N N 56 119.471 119.471 119.795 -0.324 25636 564 1 2 . 1 1 56 56 GLN HA H 56 4.114 4.114 4.506 -0.392 25636 565 1 2 . 1 1 56 56 GLN CA C 56 55.865 55.865 54.170 1.695 25636 566 1 2 . 1 1 56 56 GLN CB C 56 29.228 29.228 31.342 -2.114 25636 567 1 2 . 1 1 56 56 GLN H H 56 8.241 8.241 8.485 -0.244 25636 568 1 2 . 1 1 57 57 ALA N N 57 129.241 129.241 126.724 2.517 25636 569 1 2 . 1 1 57 57 ALA HA H 57 4.136 4.136 3.974 0.162 25636 570 1 2 . 1 1 57 57 ALA CA C 57 50.210 50.210 51.008 -0.798 25636 571 1 2 . 1 1 57 57 ALA CB C 57 18.056 18.056 17.546 0.510 25636 572 1 2 . 1 1 57 57 ALA H H 57 8.667 8.667 8.359 0.308 25636 573 1 2 . 1 1 58 58 PRO HA H 58 4.181 4.181 4.279 -0.098 25636 574 1 2 . 1 1 58 58 PRO CA C 58 62.162 62.162 61.864 0.298 25636 575 1 2 . 1 1 58 58 PRO CB C 58 31.226 31.226 31.867 -0.641 25636 576 1 2 . 1 1 59 59 ASP N N 59 120.839 120.839 116.924 3.915 25636 577 1 2 . 1 1 59 59 ASP HA H 59 4.151 4.151 4.476 -0.325 25636 578 1 2 . 1 1 59 59 ASP CA C 59 56.483 56.483 55.417 1.066 25636 579 1 2 . 1 1 59 59 ASP CB C 59 40.568 40.568 41.026 -0.458 25636 580 1 2 . 1 1 59 59 ASP H H 59 8.576 8.576 8.452 0.124 25636 581 1 2 . 1 1 60 60 TRP N N 60 114.095 114.095 116.904 -2.809 25636 582 1 2 . 1 1 60 60 TRP HA H 60 4.460 4.460 4.821 -0.361 25636 583 1 2 . 1 1 60 60 TRP CA C 60 54.579 54.579 55.030 -0.451 25636 584 1 2 . 1 1 60 60 TRP CB C 60 29.366 29.366 28.608 0.758 25636 585 1 2 . 1 1 60 60 TRP H H 60 6.701 6.701 7.186 -0.485 25636 586 1 2 . 1 1 61 61 LEU N N 61 123.142 123.142 121.439 1.703 25636 587 1 2 . 1 1 61 61 LEU HA H 61 4.743 4.743 4.270 0.473 25636 588 1 2 . 1 1 61 61 LEU CA C 61 54.839 54.839 53.106 1.733 25636 589 1 2 . 1 1 61 61 LEU CB C 61 42.083 42.083 43.255 -1.172 25636 590 1 2 . 1 1 61 61 LEU H H 61 6.541 6.541 6.934 -0.393 25636 591 1 2 . 1 1 62 62 ALA N N 62 131.106 131.106 125.921 5.185 25636 592 1 2 . 1 1 62 62 ALA HA H 62 4.644 4.644 4.521 0.123 25636 593 1 2 . 1 1 62 62 ALA CA C 62 50.478 50.478 51.146 -0.668 25636 594 1 2 . 1 1 62 62 ALA CB C 62 23.434 23.434 21.795 1.639 25636 595 1 2 . 1 1 62 62 ALA H H 62 8.993 8.993 7.602 1.391 25636 596 1 2 . 1 1 63 63 ALA N N 63 118.796 118.796 121.688 -2.892 25636 597 1 2 . 1 1 63 63 ALA HA H 63 5.633 5.633 4.816 0.817 25636 598 1 2 . 1 1 63 63 ALA CA C 63 51.143 51.143 51.975 -0.832 25636 599 1 2 . 1 1 63 63 ALA CB C 63 22.490 22.490 21.415 1.075 25636 600 1 2 . 1 1 63 63 ALA H H 63 8.139 8.139 8.331 -0.192 25636 601 1 2 . 1 1 64 64 GLU N N 64 116.715 116.715 122.176 -5.461 25636 602 1 2 . 1 1 64 64 GLU HA H 64 4.902 4.902 5.073 -0.171 25636 603 1 2 . 1 1 64 64 GLU CA C 64 53.009 53.009 53.201 -0.192 25636 604 1 2 . 1 1 64 64 GLU CB C 64 32.619 32.619 32.308 0.311 25636 605 1 2 . 1 1 64 64 GLU H H 64 8.563 8.563 8.245 0.318 25636 606 1 2 . 1 1 65 65 PRO HA H 65 5.486 5.486 4.664 0.822 25636 607 1 2 . 1 1 65 65 PRO CA C 65 62.878 62.878 62.851 0.027 25636 608 1 2 . 1 1 65 65 PRO CB C 65 32.606 32.606 32.751 -0.145 25636 609 1 3 . 1 1 2 2 PRO HA H 2 4.386 4.386 4.569 -0.183 25636 610 1 3 . 1 1 2 2 PRO CA C 2 62.756 62.756 62.721 0.035 25636 611 1 3 . 1 1 2 2 PRO CB C 2 32.034 32.034 33.093 -1.059 25636 612 1 3 . 1 1 3 3 ALA N N 3 124.343 124.343 125.173 -0.830 25636 613 1 3 . 1 1 3 3 ALA HA H 3 4.306 4.306 4.663 -0.357 25636 614 1 3 . 1 1 3 3 ALA CA C 3 52.756 52.756 51.512 1.244 25636 615 1 3 . 1 1 3 3 ALA CB C 3 19.935 19.935 20.779 -0.845 25636 616 1 3 . 1 1 3 3 ALA H H 3 8.192 8.192 8.286 -0.094 25636 617 1 3 . 1 1 4 4 ARG N N 4 119.928 119.928 122.447 -2.519 25636 618 1 3 . 1 1 4 4 ARG HA H 4 4.323 4.323 4.688 -0.365 25636 619 1 3 . 1 1 4 4 ARG CA C 4 56.231 56.231 55.823 0.408 25636 620 1 3 . 1 1 4 4 ARG CB C 4 33.629 33.629 32.418 1.211 25636 621 1 3 . 1 1 4 4 ARG H H 4 9.195 9.195 8.512 0.683 25636 622 1 3 . 1 1 5 5 PHE N N 5 119.084 119.084 120.967 -1.883 25636 623 1 3 . 1 1 5 5 PHE HA H 5 5.321 5.321 4.798 0.523 25636 624 1 3 . 1 1 5 5 PHE CA C 5 56.914 56.914 57.382 -0.468 25636 625 1 3 . 1 1 5 5 PHE CB C 5 43.554 43.554 43.587 -0.033 25636 626 1 3 . 1 1 5 5 PHE H H 5 9.242 9.242 8.603 0.639 25636 627 1 3 . 1 1 6 6 CYS N N 6 116.173 116.173 120.024 -3.851 25636 628 1 3 . 1 1 6 6 CYS HA H 6 5.281 5.281 4.933 0.348 25636 629 1 3 . 1 1 6 6 CYS CA C 6 54.262 54.262 58.217 -3.955 25636 630 1 3 . 1 1 6 6 CYS CB C 6 39.730 39.730 29.591 10.139 25636 631 1 3 . 1 1 6 6 CYS H H 6 9.204 9.204 8.573 0.631 25636 632 1 3 . 1 1 7 7 VAL N N 7 126.228 126.228 120.928 5.300 25636 633 1 3 . 1 1 7 7 VAL HA H 7 4.314 4.314 4.384 -0.070 25636 634 1 3 . 1 1 7 7 VAL CA C 7 60.665 60.665 60.764 -0.099 25636 635 1 3 . 1 1 7 7 VAL CB C 7 32.359 32.359 35.075 -2.716 25636 636 1 3 . 1 1 7 7 VAL H H 7 9.474 9.474 8.925 0.549 25636 637 1 3 . 1 1 8 8 TYR N N 8 123.478 123.478 123.767 -0.289 25636 638 1 3 . 1 1 8 8 TYR HA H 8 5.120 5.120 4.756 0.364 25636 639 1 3 . 1 1 8 8 TYR CA C 8 57.174 57.174 56.467 0.707 25636 640 1 3 . 1 1 8 8 TYR CB C 8 40.918 40.918 41.896 -0.978 25636 641 1 3 . 1 1 8 8 TYR H H 8 8.195 8.195 7.791 0.404 25636 642 1 3 . 1 1 9 9 TYR N N 9 119.745 119.745 122.017 -2.272 25636 643 1 3 . 1 1 9 9 TYR HA H 9 5.209 5.209 4.726 0.483 25636 644 1 3 . 1 1 9 9 TYR CA C 9 56.930 56.930 56.837 0.093 25636 645 1 3 . 1 1 9 9 TYR CB C 9 44.026 44.026 42.059 1.967 25636 646 1 3 . 1 1 9 9 TYR H H 9 9.410 9.410 7.707 1.703 25636 647 1 3 . 1 1 10 10 ASP N N 10 118.515 118.515 118.621 -0.106 25636 648 1 3 . 1 1 10 10 ASP HA H 10 5.203 5.203 5.018 0.185 25636 649 1 3 . 1 1 10 10 ASP CA C 10 52.879 52.879 52.894 -0.015 25636 650 1 3 . 1 1 10 10 ASP CB C 10 41.522 41.522 44.971 -3.449 25636 651 1 3 . 1 1 10 10 ASP H H 10 8.948 8.948 8.438 0.510 25636 652 1 3 . 1 1 11 11 GLY N N 11 114.853 114.853 109.108 5.745 25636 653 1 3 . 1 1 11 11 GLY CA C 11 44.213 44.213 46.642 -2.429 25636 654 1 3 . 1 1 11 11 GLY H H 11 9.014 9.014 8.576 0.438 25636 655 1 3 . 1 1 12 12 HIS N N 12 114.423 114.423 121.930 -7.507 25636 656 1 3 . 1 1 12 12 HIS HA H 12 4.415 4.415 4.516 -0.101 25636 657 1 3 . 1 1 12 12 HIS CA C 12 56.572 56.572 55.434 1.138 25636 658 1 3 . 1 1 12 12 HIS CB C 12 32.017 32.017 33.137 -1.120 25636 659 1 3 . 1 1 12 12 HIS H H 12 8.133 8.133 7.918 0.215 25636 660 1 3 . 1 1 13 13 LEU N N 13 123.763 123.763 124.743 -0.980 25636 661 1 3 . 1 1 13 13 LEU HA H 13 4.777 4.777 4.299 0.478 25636 662 1 3 . 1 1 13 13 LEU CA C 13 52.049 52.049 54.261 -2.212 25636 663 1 3 . 1 1 13 13 LEU CB C 13 41.569 41.569 42.437 -0.868 25636 664 1 3 . 1 1 13 13 LEU H H 13 8.385 8.385 8.583 -0.198 25636 665 1 3 . 1 1 14 14 PRO HA H 14 3.707 3.707 4.334 -0.627 25636 666 1 3 . 1 1 14 14 PRO CA C 14 65.579 65.579 64.125 1.454 25636 667 1 3 . 1 1 14 14 PRO CB C 14 31.895 31.895 31.899 -0.004 25636 668 1 3 . 1 1 15 15 ALA N N 15 115.114 115.114 121.701 -6.587 25636 669 1 3 . 1 1 15 15 ALA HA H 15 4.149 4.149 4.244 -0.095 25636 670 1 3 . 1 1 15 15 ALA CA C 15 54.628 54.628 54.248 0.379 25636 671 1 3 . 1 1 15 15 ALA CB C 15 19.577 19.577 19.270 0.307 25636 672 1 3 . 1 1 15 15 ALA H H 15 8.162 8.162 8.116 0.046 25636 673 1 3 . 1 1 16 16 THR N N 16 102.057 102.057 111.976 -9.919 25636 674 1 3 . 1 1 16 16 THR HA H 16 4.553 4.553 4.457 0.096 25636 675 1 3 . 1 1 16 16 THR CA C 16 60.331 60.331 60.941 -0.609 25636 676 1 3 . 1 1 16 16 THR CB C 16 70.574 70.574 69.705 0.869 25636 677 1 3 . 1 1 16 16 THR H H 16 7.153 7.153 7.693 -0.540 25636 678 1 3 . 1 1 17 17 ARG N N 17 122.509 122.509 123.204 -0.695 25636 679 1 3 . 1 1 17 17 ARG HA H 17 4.716 4.716 4.199 0.517 25636 680 1 3 . 1 1 17 17 ARG CA C 17 56.296 56.296 57.062 -0.766 25636 681 1 3 . 1 1 17 17 ARG CB C 17 30.021 30.021 30.639 -0.618 25636 682 1 3 . 1 1 17 17 ARG H H 17 7.901 7.901 7.659 0.242 25636 683 1 3 . 1 1 18 18 VAL N N 18 122.027 122.027 120.785 1.242 25636 684 1 3 . 1 1 18 18 VAL HA H 18 4.293 4.293 4.237 0.056 25636 685 1 3 . 1 1 18 18 VAL CA C 18 61.462 61.462 61.022 0.440 25636 686 1 3 . 1 1 18 18 VAL CB C 18 35.247 35.247 34.130 1.117 25636 687 1 3 . 1 1 18 18 VAL H H 18 8.568 8.568 8.555 0.013 25636 688 1 3 . 1 1 19 19 LEU N N 19 130.327 130.327 127.616 2.711 25636 689 1 3 . 1 1 19 19 LEU HA H 19 3.718 3.718 4.228 -0.510 25636 690 1 3 . 1 1 19 19 LEU CA C 19 57.467 57.467 55.482 1.985 25636 691 1 3 . 1 1 19 19 LEU CB C 19 41.862 41.862 42.697 -0.835 25636 692 1 3 . 1 1 19 19 LEU H H 19 8.670 8.670 8.493 0.177 25636 693 1 3 . 1 1 20 20 LEU N N 20 126.389 126.389 128.294 -1.905 25636 694 1 3 . 1 1 20 20 LEU HA H 20 4.588 4.588 4.316 0.272 25636 695 1 3 . 1 1 20 20 LEU CA C 20 55.873 55.873 56.254 -0.381 25636 696 1 3 . 1 1 20 20 LEU CB C 20 42.513 42.513 42.687 -0.174 25636 697 1 3 . 1 1 20 20 LEU H H 20 9.236 9.236 8.124 1.112 25636 698 1 3 . 1 1 21 21 MET N N 21 114.450 114.450 112.106 2.344 25636 699 1 3 . 1 1 21 21 MET HA H 21 4.423 4.423 4.595 -0.172 25636 700 1 3 . 1 1 21 21 MET CA C 21 56.214 56.214 54.971 1.242 25636 701 1 3 . 1 1 21 21 MET CB C 21 36.964 36.964 36.385 0.580 25636 702 1 3 . 1 1 21 21 MET H H 21 7.022 7.022 7.503 -0.481 25636 703 1 3 . 1 1 22 22 TYR N N 22 123.123 123.123 120.300 2.823 25636 704 1 3 . 1 1 22 22 TYR HA H 22 4.777 4.777 4.589 0.188 25636 705 1 3 . 1 1 22 22 TYR CA C 22 57.988 57.988 58.222 -0.234 25636 706 1 3 . 1 1 22 22 TYR CB C 22 39.356 39.356 39.074 0.282 25636 707 1 3 . 1 1 22 22 TYR H H 22 8.515 8.515 8.677 -0.162 25636 708 1 3 . 1 1 23 23 VAL N N 23 123.811 123.811 124.160 -0.349 25636 709 1 3 . 1 1 23 23 VAL HA H 23 4.371 4.371 4.419 -0.048 25636 710 1 3 . 1 1 23 23 VAL CA C 23 61.503 61.503 61.311 0.192 25636 711 1 3 . 1 1 23 23 VAL CB C 23 35.418 35.418 33.080 2.338 25636 712 1 3 . 1 1 23 23 VAL H H 23 9.417 9.417 8.802 0.615 25636 713 1 3 . 1 1 24 24 ARG N N 24 129.194 129.194 128.256 0.938 25636 714 1 3 . 1 1 24 24 ARG HA H 24 3.885 3.885 4.094 -0.209 25636 715 1 3 . 1 1 24 24 ARG CA C 24 56.784 56.784 56.193 0.591 25636 716 1 3 . 1 1 24 24 ARG CB C 24 30.178 30.178 31.273 -1.095 25636 717 1 3 . 1 1 24 24 ARG H H 24 8.892 8.892 8.742 0.150 25636 718 1 3 . 1 1 25 25 ILE N N 25 128.158 128.158 126.612 1.546 25636 719 1 3 . 1 1 25 25 ILE HA H 25 3.655 3.655 4.001 -0.346 25636 720 1 3 . 1 1 25 25 ILE CA C 25 64.879 64.879 61.377 3.502 25636 721 1 3 . 1 1 25 25 ILE CB C 25 37.154 37.154 35.426 1.728 25636 722 1 3 . 1 1 25 25 ILE H H 25 8.312 8.312 8.249 0.063 25636 723 1 3 . 1 1 26 26 GLY N N 26 115.464 115.464 110.802 4.662 25636 724 1 3 . 1 1 26 26 GLY CA C 26 44.352 44.352 45.417 -1.065 25636 725 1 3 . 1 1 26 26 GLY H H 26 9.389 9.389 8.319 1.070 25636 726 1 3 . 1 1 27 27 THR N N 27 111.341 111.341 115.109 -3.768 25636 727 1 3 . 1 1 27 27 THR HA H 27 4.926 4.926 4.635 0.291 25636 728 1 3 . 1 1 27 27 THR CA C 27 60.299 60.299 60.942 -0.643 25636 729 1 3 . 1 1 27 27 THR CB C 27 72.194 72.194 70.389 1.805 25636 730 1 3 . 1 1 27 27 THR H H 27 7.877 7.877 7.601 0.276 25636 731 1 3 . 1 1 28 28 THR N N 28 108.952 108.952 115.875 -6.923 25636 732 1 3 . 1 1 28 28 THR HA H 28 5.353 5.353 4.522 0.831 25636 733 1 3 . 1 1 28 28 THR CA C 28 59.143 59.143 61.339 -2.196 25636 734 1 3 . 1 1 28 28 THR CB C 28 71.706 71.706 69.119 2.587 25636 735 1 3 . 1 1 28 28 THR H H 28 7.732 7.732 8.212 -0.480 25636 736 1 3 . 1 1 29 29 ALA N N 29 122.383 122.383 129.454 -7.071 25636 737 1 3 . 1 1 29 29 ALA HA H 29 4.621 4.621 4.712 -0.091 25636 738 1 3 . 1 1 29 29 ALA CA C 29 51.796 51.796 51.167 0.629 25636 739 1 3 . 1 1 29 29 ALA CB C 29 24.556 24.556 21.591 2.965 25636 740 1 3 . 1 1 29 29 ALA H H 29 8.634 8.634 8.441 0.193 25636 741 1 3 . 1 1 30 30 THR N N 30 115.881 115.881 114.526 1.355 25636 742 1 3 . 1 1 30 30 THR HA H 30 4.885 4.885 4.872 0.013 25636 743 1 3 . 1 1 30 30 THR CA C 30 62.300 62.300 61.556 0.744 25636 744 1 3 . 1 1 30 30 THR CB C 30 69.265 69.265 70.549 -1.284 25636 745 1 3 . 1 1 30 30 THR H H 30 8.317 8.317 8.070 0.247 25636 746 1 3 . 1 1 31 31 ILE N N 31 126.005 126.005 124.437 1.568 25636 747 1 3 . 1 1 31 31 ILE HA H 31 4.388 4.388 4.471 -0.083 25636 748 1 3 . 1 1 31 31 ILE CA C 31 59.562 59.562 60.505 -0.943 25636 749 1 3 . 1 1 31 31 ILE CB C 31 40.634 40.634 40.679 -0.045 25636 750 1 3 . 1 1 31 31 ILE H H 31 9.166 9.166 9.032 0.134 25636 751 1 3 . 1 1 32 32 THR N N 32 120.162 120.162 119.685 0.477 25636 752 1 3 . 1 1 32 32 THR HA H 32 5.300 5.300 5.126 0.174 25636 753 1 3 . 1 1 32 32 THR CA C 32 60.885 60.885 60.705 0.180 25636 754 1 3 . 1 1 32 32 THR CB C 32 69.867 69.867 69.542 0.325 25636 755 1 3 . 1 1 32 32 THR H H 32 8.441 8.441 8.604 -0.163 25636 756 1 3 . 1 1 33 33 ALA N N 33 127.525 127.525 128.402 -0.877 25636 757 1 3 . 1 1 33 33 ALA HA H 33 4.644 4.644 4.718 -0.074 25636 758 1 3 . 1 1 33 33 ALA CA C 33 51.975 51.975 52.315 -0.340 25636 759 1 3 . 1 1 33 33 ALA CB C 33 22.897 22.897 21.686 1.211 25636 760 1 3 . 1 1 33 33 ALA H H 33 9.130 9.130 9.033 0.097 25636 761 1 3 . 1 1 34 34 ARG N N 34 118.330 118.330 121.797 -3.467 25636 762 1 3 . 1 1 34 34 ARG HA H 34 3.814 3.814 4.029 -0.215 25636 763 1 3 . 1 1 34 34 ARG CA C 34 57.028 57.028 56.200 0.828 25636 764 1 3 . 1 1 34 34 ARG CB C 34 27.337 27.337 28.689 -1.352 25636 765 1 3 . 1 1 34 34 ARG H H 34 9.232 9.232 9.240 -0.008 25636 766 1 3 . 1 1 35 35 GLY N N 35 104.002 104.002 102.531 1.471 25636 767 1 3 . 1 1 35 35 GLY CA C 35 45.368 45.368 45.658 -0.291 25636 768 1 3 . 1 1 35 35 GLY H H 35 8.642 8.642 8.747 -0.105 25636 769 1 3 . 1 1 36 36 HIS N N 36 119.875 119.875 118.598 1.277 25636 770 1 3 . 1 1 36 36 HIS HA H 36 4.703 4.703 4.666 0.037 25636 771 1 3 . 1 1 36 36 HIS CA C 36 54.376 54.376 54.792 -0.416 25636 772 1 3 . 1 1 36 36 HIS CB C 36 32.880 32.880 33.186 -0.306 25636 773 1 3 . 1 1 36 36 HIS H H 36 8.188 8.188 7.511 0.677 25636 774 1 3 . 1 1 37 37 GLU N N 37 119.578 119.578 123.199 -3.621 25636 775 1 3 . 1 1 37 37 GLU HA H 37 5.018 5.018 4.557 0.461 25636 776 1 3 . 1 1 37 37 GLU CA C 37 55.092 55.092 55.149 -0.057 25636 777 1 3 . 1 1 37 37 GLU CB C 37 31.863 31.863 30.628 1.235 25636 778 1 3 . 1 1 37 37 GLU H H 37 7.991 7.991 8.475 -0.484 25636 779 1 3 . 1 1 38 38 PHE N N 38 121.593 121.593 123.989 -2.396 25636 780 1 3 . 1 1 38 38 PHE HA H 38 4.755 4.755 4.799 -0.044 25636 781 1 3 . 1 1 38 38 PHE CA C 38 56.442 56.442 56.346 0.096 25636 782 1 3 . 1 1 38 38 PHE CB C 38 41.569 41.569 41.049 0.520 25636 783 1 3 . 1 1 38 38 PHE H H 38 9.149 9.149 8.983 0.166 25636 784 1 3 . 1 1 39 39 GLU N N 39 125.332 125.332 126.275 -0.943 25636 785 1 3 . 1 1 39 39 GLU HA H 39 5.186 5.186 4.555 0.631 25636 786 1 3 . 1 1 39 39 GLU CA C 39 55.531 55.531 55.617 -0.086 25636 787 1 3 . 1 1 39 39 GLU CB C 39 30.309 30.309 30.038 0.271 25636 788 1 3 . 1 1 39 39 GLU H H 39 8.539 8.539 9.069 -0.530 25636 789 1 3 . 1 1 40 40 VAL N N 40 120.623 120.623 120.856 -0.233 25636 790 1 3 . 1 1 40 40 VAL HA H 40 5.396 5.396 4.738 0.658 25636 791 1 3 . 1 1 40 40 VAL CA C 40 58.517 58.517 58.696 -0.179 25636 792 1 3 . 1 1 40 40 VAL CB C 40 34.287 34.287 33.972 0.314 25636 793 1 3 . 1 1 40 40 VAL H H 40 8.773 8.773 7.736 1.037 25636 794 1 3 . 1 1 41 41 GLU N N 41 118.742 118.742 121.975 -3.233 25636 795 1 3 . 1 1 41 41 GLU HA H 41 4.553 4.553 4.540 0.013 25636 796 1 3 . 1 1 41 41 GLU CA C 41 54.359 54.359 55.022 -0.662 25636 797 1 3 . 1 1 41 41 GLU CB C 41 32.408 32.408 31.889 0.519 25636 798 1 3 . 1 1 41 41 GLU H H 41 7.973 7.973 8.572 -0.599 25636 799 1 3 . 1 1 42 42 ALA N N 42 132.540 132.540 128.326 4.214 25636 800 1 3 . 1 1 42 42 ALA HA H 42 4.662 4.662 4.571 0.091 25636 801 1 3 . 1 1 42 42 ALA CA C 42 50.446 50.446 51.400 -0.954 25636 802 1 3 . 1 1 42 42 ALA CB C 42 18.015 18.015 19.860 -1.845 25636 803 1 3 . 1 1 42 42 ALA H H 42 8.181 8.181 8.469 -0.288 25636 804 1 3 . 1 1 43 43 LYS N N 43 125.936 125.936 121.733 4.203 25636 805 1 3 . 1 1 43 43 LYS HA H 43 3.955 3.955 4.528 -0.573 25636 806 1 3 . 1 1 43 43 LYS CA C 43 59.648 59.648 56.600 3.048 25636 807 1 3 . 1 1 43 43 LYS CB C 43 34.670 34.670 33.570 1.100 25636 808 1 3 . 1 1 43 43 LYS H H 43 9.029 9.029 8.833 0.196 25636 809 1 3 . 1 1 44 44 ASP N N 44 110.443 110.443 116.300 -5.857 25636 810 1 3 . 1 1 44 44 ASP HA H 44 4.338 4.338 4.657 -0.319 25636 811 1 3 . 1 1 44 44 ASP CA C 44 53.074 53.074 53.550 -0.476 25636 812 1 3 . 1 1 44 44 ASP CB C 44 41.337 41.337 41.384 -0.047 25636 813 1 3 . 1 1 44 44 ASP H H 44 7.463 7.463 7.557 -0.094 25636 814 1 3 . 1 1 45 45 GLN N N 45 112.575 112.575 114.471 -1.896 25636 815 1 3 . 1 1 45 45 GLN HA H 45 4.064 4.064 3.978 0.087 25636 816 1 3 . 1 1 45 45 GLN CA C 45 57.663 57.663 58.010 -0.347 25636 817 1 3 . 1 1 45 45 GLN CB C 45 28.047 28.047 28.830 -0.783 25636 818 1 3 . 1 1 45 45 GLN H H 45 8.370 8.370 8.444 -0.074 25636 819 1 3 . 1 1 46 46 ASN N N 46 117.659 117.659 119.487 -1.828 25636 820 1 3 . 1 1 46 46 ASN HA H 46 4.536 4.536 4.780 -0.244 25636 821 1 3 . 1 1 46 46 ASN CA C 46 55.271 55.271 53.362 1.909 25636 822 1 3 . 1 1 46 46 ASN CB C 46 38.046 38.046 38.357 -0.311 25636 823 1 3 . 1 1 46 46 ASN H H 46 8.704 8.704 7.927 0.777 25636 824 1 3 . 1 1 47 47 CYS N N 47 112.520 112.520 121.512 -8.992 25636 825 1 3 . 1 1 47 47 CYS HA H 47 4.397 4.397 4.588 -0.191 25636 826 1 3 . 1 1 47 47 CYS CA C 47 55.075 55.075 58.404 -3.329 25636 827 1 3 . 1 1 47 47 CYS CB C 47 36.199 36.199 28.616 7.583 25636 828 1 3 . 1 1 47 47 CYS H H 47 8.486 8.486 7.995 0.491 25636 829 1 3 . 1 1 48 48 LYS N N 48 116.117 116.117 124.682 -8.565 25636 830 1 3 . 1 1 48 48 LYS HA H 48 4.130 4.130 4.546 -0.416 25636 831 1 3 . 1 1 48 48 LYS CA C 48 56.865 56.865 54.663 2.202 25636 832 1 3 . 1 1 48 48 LYS CB C 48 32.180 32.180 34.263 -2.083 25636 833 1 3 . 1 1 48 48 LYS H H 48 7.970 7.970 8.456 -0.486 25636 834 1 3 . 1 1 49 49 VAL N N 49 126.872 126.872 120.145 6.727 25636 835 1 3 . 1 1 49 49 VAL HA H 49 3.632 3.632 4.073 -0.441 25636 836 1 3 . 1 1 49 49 VAL CA C 49 64.782 64.782 62.748 2.034 25636 837 1 3 . 1 1 49 49 VAL CB C 49 30.317 30.317 30.697 -0.380 25636 838 1 3 . 1 1 49 49 VAL H H 49 8.951 8.951 8.536 0.415 25636 839 1 3 . 1 1 50 50 ILE N N 50 132.487 132.487 126.669 5.818 25636 840 1 3 . 1 1 50 50 ILE HA H 50 4.135 4.135 4.373 -0.238 25636 841 1 3 . 1 1 50 50 ILE CA C 50 60.535 60.535 60.474 0.061 25636 842 1 3 . 1 1 50 50 ILE CB C 50 41.659 41.659 42.075 -0.416 25636 843 1 3 . 1 1 50 50 ILE H H 50 8.666 8.666 7.636 1.030 25636 844 1 3 . 1 1 51 51 LEU N N 51 125.179 125.179 124.121 1.058 25636 845 1 3 . 1 1 51 51 LEU HA H 51 5.250 5.250 5.285 -0.035 25636 846 1 3 . 1 1 51 51 LEU CA C 51 53.245 53.245 53.395 -0.150 25636 847 1 3 . 1 1 51 51 LEU CB C 51 41.146 41.146 44.372 -3.226 25636 848 1 3 . 1 1 51 51 LEU H H 51 8.789 8.789 8.114 0.675 25636 849 1 3 . 1 1 52 52 THR N N 52 115.511 115.511 115.568 -0.057 25636 850 1 3 . 1 1 52 52 THR HA H 52 4.079 4.079 4.323 -0.244 25636 851 1 3 . 1 1 52 52 THR CA C 52 63.822 63.822 62.699 1.123 25636 852 1 3 . 1 1 52 52 THR CB C 52 68.335 68.335 68.676 -0.341 25636 853 1 3 . 1 1 52 52 THR H H 52 8.528 8.528 8.504 0.024 25636 854 1 3 . 1 1 53 53 ASN N N 53 116.941 116.941 119.445 -2.504 25636 855 1 3 . 1 1 53 53 ASN HA H 53 4.514 4.514 4.781 -0.267 25636 856 1 3 . 1 1 53 53 ASN CA C 53 52.740 52.740 52.240 0.500 25636 857 1 3 . 1 1 53 53 ASN CB C 53 37.314 37.314 37.071 0.243 25636 858 1 3 . 1 1 53 53 ASN H H 53 8.149 8.149 7.921 0.228 25636 859 1 3 . 1 1 54 54 GLY N N 54 106.580 106.580 106.123 0.457 25636 860 1 3 . 1 1 54 54 GLY CA C 54 45.735 45.735 45.697 0.038 25636 861 1 3 . 1 1 54 54 GLY H H 54 7.949 7.949 8.467 -0.518 25636 862 1 3 . 1 1 55 55 LYS N N 55 120.679 120.679 118.560 2.119 25636 863 1 3 . 1 1 55 55 LYS HA H 55 4.251 4.251 4.602 -0.351 25636 864 1 3 . 1 1 55 55 LYS CA C 55 55.848 55.848 54.662 1.186 25636 865 1 3 . 1 1 55 55 LYS CB C 55 32.595 32.595 35.684 -3.089 25636 866 1 3 . 1 1 55 55 LYS H H 55 7.806 7.806 7.802 0.004 25636 867 1 3 . 1 1 56 56 GLN N N 56 119.471 119.471 119.408 0.063 25636 868 1 3 . 1 1 56 56 GLN HA H 56 4.114 4.114 4.597 -0.483 25636 869 1 3 . 1 1 56 56 GLN CA C 56 55.865 55.865 53.977 1.889 25636 870 1 3 . 1 1 56 56 GLN CB C 56 29.228 29.228 31.064 -1.836 25636 871 1 3 . 1 1 56 56 GLN H H 56 8.241 8.241 8.398 -0.157 25636 872 1 3 . 1 1 57 57 ALA N N 57 129.241 129.241 125.117 4.124 25636 873 1 3 . 1 1 57 57 ALA HA H 57 4.136 4.136 4.044 0.092 25636 874 1 3 . 1 1 57 57 ALA CA C 57 50.210 50.210 51.187 -0.977 25636 875 1 3 . 1 1 57 57 ALA CB C 57 18.056 18.056 17.421 0.635 25636 876 1 3 . 1 1 57 57 ALA H H 57 8.667 8.667 8.434 0.233 25636 877 1 3 . 1 1 58 58 PRO HA H 58 4.181 4.181 4.300 -0.119 25636 878 1 3 . 1 1 58 58 PRO CA C 58 62.162 62.162 61.869 0.293 25636 879 1 3 . 1 1 58 58 PRO CB C 58 31.226 31.226 31.848 -0.622 25636 880 1 3 . 1 1 59 59 ASP N N 59 120.839 120.839 116.951 3.888 25636 881 1 3 . 1 1 59 59 ASP HA H 59 4.151 4.151 4.488 -0.337 25636 882 1 3 . 1 1 59 59 ASP CA C 59 56.483 56.483 55.401 1.082 25636 883 1 3 . 1 1 59 59 ASP CB C 59 40.568 40.568 40.983 -0.415 25636 884 1 3 . 1 1 59 59 ASP H H 59 8.576 8.576 8.467 0.109 25636 885 1 3 . 1 1 60 60 TRP N N 60 114.095 114.095 116.992 -2.897 25636 886 1 3 . 1 1 60 60 TRP HA H 60 4.460 4.460 4.829 -0.369 25636 887 1 3 . 1 1 60 60 TRP CA C 60 54.579 54.579 55.071 -0.492 25636 888 1 3 . 1 1 60 60 TRP CB C 60 29.366 29.366 28.613 0.753 25636 889 1 3 . 1 1 60 60 TRP H H 60 6.701 6.701 7.192 -0.491 25636 890 1 3 . 1 1 61 61 LEU N N 61 123.142 123.142 121.124 2.018 25636 891 1 3 . 1 1 61 61 LEU HA H 61 4.743 4.743 4.268 0.475 25636 892 1 3 . 1 1 61 61 LEU CA C 61 54.839 54.839 53.016 1.823 25636 893 1 3 . 1 1 61 61 LEU CB C 61 42.083 42.083 43.616 -1.533 25636 894 1 3 . 1 1 61 61 LEU H H 61 6.541 6.541 6.935 -0.394 25636 895 1 3 . 1 1 62 62 ALA N N 62 131.106 131.106 124.633 6.473 25636 896 1 3 . 1 1 62 62 ALA HA H 62 4.644 4.644 4.443 0.201 25636 897 1 3 . 1 1 62 62 ALA CA C 62 50.478 50.478 51.147 -0.669 25636 898 1 3 . 1 1 62 62 ALA CB C 62 23.434 23.434 22.168 1.266 25636 899 1 3 . 1 1 62 62 ALA H H 62 8.993 8.993 7.664 1.329 25636 900 1 3 . 1 1 63 63 ALA N N 63 118.796 118.796 121.136 -2.340 25636 901 1 3 . 1 1 63 63 ALA HA H 63 5.633 5.633 4.829 0.804 25636 902 1 3 . 1 1 63 63 ALA CA C 63 51.143 51.143 52.315 -1.172 25636 903 1 3 . 1 1 63 63 ALA CB C 63 22.490 22.490 21.056 1.434 25636 904 1 3 . 1 1 63 63 ALA H H 63 8.139 8.139 8.187 -0.048 25636 905 1 3 . 1 1 64 64 GLU N N 64 116.715 116.715 123.546 -6.831 25636 906 1 3 . 1 1 64 64 GLU HA H 64 4.902 4.902 4.974 -0.072 25636 907 1 3 . 1 1 64 64 GLU CA C 64 53.009 53.009 53.037 -0.028 25636 908 1 3 . 1 1 64 64 GLU CB C 64 32.619 32.619 31.256 1.363 25636 909 1 3 . 1 1 64 64 GLU H H 64 8.563 8.563 8.090 0.473 25636 910 1 3 . 1 1 65 65 PRO HA H 65 5.486 5.486 4.605 0.881 25636 911 1 3 . 1 1 65 65 PRO CA C 65 62.878 62.878 62.847 0.031 25636 912 1 3 . 1 1 65 65 PRO CB C 65 32.606 32.606 32.777 -0.171 25636 913 1 4 . 1 1 2 2 PRO HA H 2 4.386 4.386 4.683 -0.297 25636 914 1 4 . 1 1 2 2 PRO CA C 2 62.756 62.756 62.550 0.206 25636 915 1 4 . 1 1 2 2 PRO CB C 2 32.034 32.034 32.769 -0.735 25636 916 1 4 . 1 1 3 3 ALA N N 3 124.343 124.343 121.930 2.413 25636 917 1 4 . 1 1 3 3 ALA HA H 3 4.306 4.306 4.730 -0.424 25636 918 1 4 . 1 1 3 3 ALA CA C 3 52.756 52.756 51.491 1.265 25636 919 1 4 . 1 1 3 3 ALA CB C 3 19.935 19.935 20.846 -0.911 25636 920 1 4 . 1 1 3 3 ALA H H 3 8.192 8.192 8.311 -0.119 25636 921 1 4 . 1 1 4 4 ARG N N 4 119.928 119.928 122.256 -2.328 25636 922 1 4 . 1 1 4 4 ARG HA H 4 4.323 4.323 4.657 -0.334 25636 923 1 4 . 1 1 4 4 ARG CA C 4 56.231 56.231 55.468 0.763 25636 924 1 4 . 1 1 4 4 ARG CB C 4 33.629 33.629 31.484 2.145 25636 925 1 4 . 1 1 4 4 ARG H H 4 9.195 9.195 8.366 0.829 25636 926 1 4 . 1 1 5 5 PHE N N 5 119.084 119.084 122.903 -3.819 25636 927 1 4 . 1 1 5 5 PHE HA H 5 5.321 5.321 4.872 0.449 25636 928 1 4 . 1 1 5 5 PHE CA C 5 56.914 56.914 57.334 -0.420 25636 929 1 4 . 1 1 5 5 PHE CB C 5 43.554 43.554 42.976 0.578 25636 930 1 4 . 1 1 5 5 PHE H H 5 9.242 9.242 8.558 0.684 25636 931 1 4 . 1 1 6 6 CYS N N 6 116.173 116.173 120.647 -4.474 25636 932 1 4 . 1 1 6 6 CYS HA H 6 5.281 5.281 4.850 0.431 25636 933 1 4 . 1 1 6 6 CYS CA C 6 54.262 54.262 58.174 -3.912 25636 934 1 4 . 1 1 6 6 CYS CB C 6 39.730 39.730 30.343 9.387 25636 935 1 4 . 1 1 6 6 CYS H H 6 9.204 9.204 8.554 0.650 25636 936 1 4 . 1 1 7 7 VAL N N 7 126.228 126.228 117.613 8.615 25636 937 1 4 . 1 1 7 7 VAL HA H 7 4.314 4.314 4.329 -0.015 25636 938 1 4 . 1 1 7 7 VAL CA C 7 60.665 60.665 61.242 -0.577 25636 939 1 4 . 1 1 7 7 VAL CB C 7 32.359 32.359 35.421 -3.062 25636 940 1 4 . 1 1 7 7 VAL H H 7 9.474 9.474 8.221 1.253 25636 941 1 4 . 1 1 8 8 TYR N N 8 123.478 123.478 123.260 0.218 25636 942 1 4 . 1 1 8 8 TYR HA H 8 5.120 5.120 4.509 0.611 25636 943 1 4 . 1 1 8 8 TYR CA C 8 57.174 57.174 56.484 0.690 25636 944 1 4 . 1 1 8 8 TYR CB C 8 40.918 40.918 42.040 -1.122 25636 945 1 4 . 1 1 8 8 TYR H H 8 8.195 8.195 7.798 0.398 25636 946 1 4 . 1 1 9 9 TYR N N 9 119.745 119.745 119.229 0.516 25636 947 1 4 . 1 1 9 9 TYR HA H 9 5.209 5.209 4.814 0.395 25636 948 1 4 . 1 1 9 9 TYR CA C 9 56.930 56.930 56.793 0.137 25636 949 1 4 . 1 1 9 9 TYR CB C 9 44.026 44.026 42.562 1.464 25636 950 1 4 . 1 1 9 9 TYR H H 9 9.410 9.410 7.629 1.781 25636 951 1 4 . 1 1 10 10 ASP N N 10 118.515 118.515 119.060 -0.545 25636 952 1 4 . 1 1 10 10 ASP HA H 10 5.203 5.203 5.117 0.086 25636 953 1 4 . 1 1 10 10 ASP CA C 10 52.879 52.879 52.758 0.122 25636 954 1 4 . 1 1 10 10 ASP CB C 10 41.522 41.522 45.219 -3.697 25636 955 1 4 . 1 1 10 10 ASP H H 10 8.948 8.948 8.409 0.539 25636 956 1 4 . 1 1 11 11 GLY N N 11 114.853 114.853 109.133 5.720 25636 957 1 4 . 1 1 11 11 GLY CA C 11 44.213 44.213 46.703 -2.490 25636 958 1 4 . 1 1 11 11 GLY H H 11 9.014 9.014 8.834 0.180 25636 959 1 4 . 1 1 12 12 HIS N N 12 114.423 114.423 121.000 -6.577 25636 960 1 4 . 1 1 12 12 HIS HA H 12 4.415 4.415 4.520 -0.105 25636 961 1 4 . 1 1 12 12 HIS CA C 12 56.572 56.572 55.262 1.310 25636 962 1 4 . 1 1 12 12 HIS CB C 12 32.017 32.017 32.728 -0.711 25636 963 1 4 . 1 1 12 12 HIS H H 12 8.133 8.133 7.908 0.225 25636 964 1 4 . 1 1 13 13 LEU N N 13 123.763 123.763 125.708 -1.945 25636 965 1 4 . 1 1 13 13 LEU HA H 13 4.777 4.777 4.243 0.534 25636 966 1 4 . 1 1 13 13 LEU CA C 13 52.049 52.049 54.486 -2.437 25636 967 1 4 . 1 1 13 13 LEU CB C 13 41.569 41.569 42.106 -0.537 25636 968 1 4 . 1 1 13 13 LEU H H 13 8.385 8.385 8.649 -0.264 25636 969 1 4 . 1 1 14 14 PRO HA H 14 3.707 3.707 4.309 -0.602 25636 970 1 4 . 1 1 14 14 PRO CA C 14 65.579 65.579 64.152 1.427 25636 971 1 4 . 1 1 14 14 PRO CB C 14 31.895 31.895 31.868 0.027 25636 972 1 4 . 1 1 15 15 ALA N N 15 115.114 115.114 121.590 -6.476 25636 973 1 4 . 1 1 15 15 ALA HA H 15 4.149 4.149 4.253 -0.104 25636 974 1 4 . 1 1 15 15 ALA CA C 15 54.628 54.628 53.981 0.646 25636 975 1 4 . 1 1 15 15 ALA CB C 15 19.577 19.577 19.423 0.154 25636 976 1 4 . 1 1 15 15 ALA H H 15 8.162 8.162 8.143 0.019 25636 977 1 4 . 1 1 16 16 THR N N 16 102.057 102.057 111.561 -9.504 25636 978 1 4 . 1 1 16 16 THR HA H 16 4.553 4.553 4.360 0.193 25636 979 1 4 . 1 1 16 16 THR CA C 16 60.331 60.331 61.432 -1.101 25636 980 1 4 . 1 1 16 16 THR CB C 16 70.574 70.574 70.042 0.532 25636 981 1 4 . 1 1 16 16 THR H H 16 7.153 7.153 7.639 -0.486 25636 982 1 4 . 1 1 17 17 ARG N N 17 122.509 122.509 123.496 -0.987 25636 983 1 4 . 1 1 17 17 ARG HA H 17 4.716 4.716 4.144 0.572 25636 984 1 4 . 1 1 17 17 ARG CA C 17 56.296 56.296 57.754 -1.458 25636 985 1 4 . 1 1 17 17 ARG CB C 17 30.021 30.021 30.817 -0.796 25636 986 1 4 . 1 1 17 17 ARG H H 17 7.901 7.901 7.640 0.261 25636 987 1 4 . 1 1 18 18 VAL N N 18 122.027 122.027 122.080 -0.053 25636 988 1 4 . 1 1 18 18 VAL HA H 18 4.293 4.293 4.224 0.069 25636 989 1 4 . 1 1 18 18 VAL CA C 18 61.462 61.462 61.671 -0.209 25636 990 1 4 . 1 1 18 18 VAL CB C 18 35.247 35.247 34.688 0.559 25636 991 1 4 . 1 1 18 18 VAL H H 18 8.568 8.568 8.601 -0.033 25636 992 1 4 . 1 1 19 19 LEU N N 19 130.327 130.327 126.678 3.649 25636 993 1 4 . 1 1 19 19 LEU HA H 19 3.718 3.718 4.606 -0.888 25636 994 1 4 . 1 1 19 19 LEU CA C 19 57.467 57.467 54.901 2.566 25636 995 1 4 . 1 1 19 19 LEU CB C 19 41.862 41.862 42.781 -0.919 25636 996 1 4 . 1 1 19 19 LEU H H 19 8.670 8.670 8.461 0.209 25636 997 1 4 . 1 1 20 20 LEU N N 20 126.389 126.389 128.311 -1.922 25636 998 1 4 . 1 1 20 20 LEU HA H 20 4.588 4.588 4.355 0.233 25636 999 1 4 . 1 1 20 20 LEU CA C 20 55.873 55.873 56.496 -0.623 25636 1000 1 4 . 1 1 20 20 LEU CB C 20 42.513 42.513 42.804 -0.291 25636 1001 1 4 . 1 1 20 20 LEU H H 20 9.236 9.236 8.350 0.886 25636 1002 1 4 . 1 1 21 21 MET N N 21 114.450 114.450 112.110 2.340 25636 1003 1 4 . 1 1 21 21 MET HA H 21 4.423 4.423 4.666 -0.243 25636 1004 1 4 . 1 1 21 21 MET CA C 21 56.214 56.214 54.867 1.347 25636 1005 1 4 . 1 1 21 21 MET CB C 21 36.964 36.964 35.910 1.054 25636 1006 1 4 . 1 1 21 21 MET H H 21 7.022 7.022 7.737 -0.715 25636 1007 1 4 . 1 1 22 22 TYR N N 22 123.123 123.123 119.685 3.438 25636 1008 1 4 . 1 1 22 22 TYR HA H 22 4.777 4.777 4.687 0.090 25636 1009 1 4 . 1 1 22 22 TYR CA C 22 57.988 57.988 57.987 0.001 25636 1010 1 4 . 1 1 22 22 TYR CB C 22 39.356 39.356 39.617 -0.261 25636 1011 1 4 . 1 1 22 22 TYR H H 22 8.515 8.515 8.659 -0.144 25636 1012 1 4 . 1 1 23 23 VAL N N 23 123.811 123.811 122.047 1.764 25636 1013 1 4 . 1 1 23 23 VAL HA H 23 4.371 4.371 4.454 -0.083 25636 1014 1 4 . 1 1 23 23 VAL CA C 23 61.503 61.503 61.428 0.075 25636 1015 1 4 . 1 1 23 23 VAL CB C 23 35.418 35.418 33.343 2.075 25636 1016 1 4 . 1 1 23 23 VAL H H 23 9.417 9.417 8.820 0.597 25636 1017 1 4 . 1 1 24 24 ARG N N 24 129.194 129.194 126.747 2.447 25636 1018 1 4 . 1 1 24 24 ARG HA H 24 3.885 3.885 4.498 -0.613 25636 1019 1 4 . 1 1 24 24 ARG CA C 24 56.784 56.784 56.079 0.705 25636 1020 1 4 . 1 1 24 24 ARG CB C 24 30.178 30.178 31.019 -0.841 25636 1021 1 4 . 1 1 24 24 ARG H H 24 8.892 8.892 8.737 0.155 25636 1022 1 4 . 1 1 25 25 ILE N N 25 128.158 128.158 124.450 3.708 25636 1023 1 4 . 1 1 25 25 ILE HA H 25 3.655 3.655 4.132 -0.477 25636 1024 1 4 . 1 1 25 25 ILE CA C 25 64.879 64.879 60.253 4.626 25636 1025 1 4 . 1 1 25 25 ILE CB C 25 37.154 37.154 34.294 2.861 25636 1026 1 4 . 1 1 25 25 ILE H H 25 8.312 8.312 8.425 -0.113 25636 1027 1 4 . 1 1 26 26 GLY N N 26 115.464 115.464 111.623 3.841 25636 1028 1 4 . 1 1 26 26 GLY CA C 26 44.352 44.352 45.730 -1.378 25636 1029 1 4 . 1 1 26 26 GLY H H 26 9.389 9.389 8.321 1.068 25636 1030 1 4 . 1 1 27 27 THR N N 27 111.341 111.341 114.937 -3.596 25636 1031 1 4 . 1 1 27 27 THR HA H 27 4.926 4.926 4.608 0.318 25636 1032 1 4 . 1 1 27 27 THR CA C 27 60.299 60.299 60.716 -0.417 25636 1033 1 4 . 1 1 27 27 THR CB C 27 72.194 72.194 69.924 2.270 25636 1034 1 4 . 1 1 27 27 THR H H 27 7.877 7.877 7.634 0.243 25636 1035 1 4 . 1 1 28 28 THR N N 28 108.952 108.952 115.755 -6.803 25636 1036 1 4 . 1 1 28 28 THR HA H 28 5.353 5.353 4.598 0.755 25636 1037 1 4 . 1 1 28 28 THR CA C 28 59.143 59.143 61.414 -2.271 25636 1038 1 4 . 1 1 28 28 THR CB C 28 71.706 71.706 69.145 2.561 25636 1039 1 4 . 1 1 28 28 THR H H 28 7.732 7.732 8.223 -0.491 25636 1040 1 4 . 1 1 29 29 ALA N N 29 122.383 122.383 128.684 -6.301 25636 1041 1 4 . 1 1 29 29 ALA HA H 29 4.621 4.621 4.644 -0.023 25636 1042 1 4 . 1 1 29 29 ALA CA C 29 51.796 51.796 51.095 0.701 25636 1043 1 4 . 1 1 29 29 ALA CB C 29 24.556 24.556 21.137 3.419 25636 1044 1 4 . 1 1 29 29 ALA H H 29 8.634 8.634 8.254 0.380 25636 1045 1 4 . 1 1 30 30 THR N N 30 115.881 115.881 114.578 1.303 25636 1046 1 4 . 1 1 30 30 THR HA H 30 4.885 4.885 4.827 0.058 25636 1047 1 4 . 1 1 30 30 THR CA C 30 62.300 62.300 61.345 0.955 25636 1048 1 4 . 1 1 30 30 THR CB C 30 69.265 69.265 70.461 -1.196 25636 1049 1 4 . 1 1 30 30 THR H H 30 8.317 8.317 8.069 0.248 25636 1050 1 4 . 1 1 31 31 ILE N N 31 126.005 126.005 126.342 -0.337 25636 1051 1 4 . 1 1 31 31 ILE HA H 31 4.388 4.388 4.367 0.021 25636 1052 1 4 . 1 1 31 31 ILE CA C 31 59.562 59.562 60.191 -0.629 25636 1053 1 4 . 1 1 31 31 ILE CB C 31 40.634 40.634 40.125 0.509 25636 1054 1 4 . 1 1 31 31 ILE H H 31 9.166 9.166 9.045 0.121 25636 1055 1 4 . 1 1 32 32 THR N N 32 120.162 120.162 123.258 -3.096 25636 1056 1 4 . 1 1 32 32 THR HA H 32 5.300 5.300 4.639 0.661 25636 1057 1 4 . 1 1 32 32 THR CA C 32 60.885 60.885 60.457 0.428 25636 1058 1 4 . 1 1 32 32 THR CB C 32 69.867 69.867 68.598 1.269 25636 1059 1 4 . 1 1 32 32 THR H H 32 8.441 8.441 8.657 -0.216 25636 1060 1 4 . 1 1 33 33 ALA N N 33 127.525 127.525 127.062 0.463 25636 1061 1 4 . 1 1 33 33 ALA HA H 33 4.644 4.644 4.684 -0.040 25636 1062 1 4 . 1 1 33 33 ALA CA C 33 51.975 51.975 52.082 -0.107 25636 1063 1 4 . 1 1 33 33 ALA CB C 33 22.897 22.897 21.705 1.192 25636 1064 1 4 . 1 1 33 33 ALA H H 33 9.130 9.130 8.504 0.626 25636 1065 1 4 . 1 1 34 34 ARG N N 34 118.330 118.330 122.060 -3.730 25636 1066 1 4 . 1 1 34 34 ARG HA H 34 3.814 3.814 4.050 -0.236 25636 1067 1 4 . 1 1 34 34 ARG CA C 34 57.028 57.028 56.772 0.256 25636 1068 1 4 . 1 1 34 34 ARG CB C 34 27.337 27.337 27.797 -0.461 25636 1069 1 4 . 1 1 34 34 ARG H H 34 9.232 9.232 9.299 -0.067 25636 1070 1 4 . 1 1 35 35 GLY N N 35 104.002 104.002 102.990 1.012 25636 1071 1 4 . 1 1 35 35 GLY CA C 35 45.368 45.368 45.377 -0.009 25636 1072 1 4 . 1 1 35 35 GLY H H 35 8.642 8.642 8.509 0.133 25636 1073 1 4 . 1 1 36 36 HIS N N 36 119.875 119.875 119.111 0.764 25636 1074 1 4 . 1 1 36 36 HIS HA H 36 4.703 4.703 4.695 0.008 25636 1075 1 4 . 1 1 36 36 HIS CA C 36 54.376 54.376 54.092 0.284 25636 1076 1 4 . 1 1 36 36 HIS CB C 36 32.880 32.880 32.649 0.231 25636 1077 1 4 . 1 1 36 36 HIS H H 36 8.188 8.188 7.892 0.296 25636 1078 1 4 . 1 1 37 37 GLU N N 37 119.578 119.578 123.522 -3.944 25636 1079 1 4 . 1 1 37 37 GLU HA H 37 5.018 5.018 4.487 0.531 25636 1080 1 4 . 1 1 37 37 GLU CA C 37 55.092 55.092 55.216 -0.124 25636 1081 1 4 . 1 1 37 37 GLU CB C 37 31.863 31.863 30.431 1.432 25636 1082 1 4 . 1 1 37 37 GLU H H 37 7.991 7.991 8.628 -0.637 25636 1083 1 4 . 1 1 38 38 PHE N N 38 121.593 121.593 123.857 -2.264 25636 1084 1 4 . 1 1 38 38 PHE HA H 38 4.755 4.755 4.751 0.004 25636 1085 1 4 . 1 1 38 38 PHE CA C 38 56.442 56.442 55.838 0.604 25636 1086 1 4 . 1 1 38 38 PHE CB C 38 41.569 41.569 40.626 0.943 25636 1087 1 4 . 1 1 38 38 PHE H H 38 9.149 9.149 8.899 0.250 25636 1088 1 4 . 1 1 39 39 GLU N N 39 125.332 125.332 124.975 0.357 25636 1089 1 4 . 1 1 39 39 GLU HA H 39 5.186 5.186 4.645 0.541 25636 1090 1 4 . 1 1 39 39 GLU CA C 39 55.531 55.531 55.543 -0.012 25636 1091 1 4 . 1 1 39 39 GLU CB C 39 30.309 30.309 29.851 0.458 25636 1092 1 4 . 1 1 39 39 GLU H H 39 8.539 8.539 8.886 -0.347 25636 1093 1 4 . 1 1 40 40 VAL N N 40 120.623 120.623 119.134 1.489 25636 1094 1 4 . 1 1 40 40 VAL HA H 40 5.396 5.396 4.969 0.427 25636 1095 1 4 . 1 1 40 40 VAL CA C 40 58.517 58.517 58.744 -0.227 25636 1096 1 4 . 1 1 40 40 VAL CB C 40 34.287 34.287 34.442 -0.155 25636 1097 1 4 . 1 1 40 40 VAL H H 40 8.773 8.773 7.565 1.208 25636 1098 1 4 . 1 1 41 41 GLU N N 41 118.742 118.742 120.271 -1.529 25636 1099 1 4 . 1 1 41 41 GLU HA H 41 4.553 4.553 4.478 0.075 25636 1100 1 4 . 1 1 41 41 GLU CA C 41 54.359 54.359 55.570 -1.211 25636 1101 1 4 . 1 1 41 41 GLU CB C 41 32.408 32.408 32.191 0.217 25636 1102 1 4 . 1 1 41 41 GLU H H 41 7.973 7.973 8.475 -0.502 25636 1103 1 4 . 1 1 42 42 ALA N N 42 132.540 132.540 128.409 4.131 25636 1104 1 4 . 1 1 42 42 ALA HA H 42 4.662 4.662 4.622 0.040 25636 1105 1 4 . 1 1 42 42 ALA CA C 42 50.446 50.446 51.409 -0.963 25636 1106 1 4 . 1 1 42 42 ALA CB C 42 18.015 18.015 19.885 -1.870 25636 1107 1 4 . 1 1 42 42 ALA H H 42 8.181 8.181 8.448 -0.267 25636 1108 1 4 . 1 1 43 43 LYS N N 43 125.936 125.936 121.791 4.145 25636 1109 1 4 . 1 1 43 43 LYS HA H 43 3.955 3.955 4.510 -0.554 25636 1110 1 4 . 1 1 43 43 LYS CA C 43 59.648 59.648 56.499 3.149 25636 1111 1 4 . 1 1 43 43 LYS CB C 43 34.670 34.670 33.600 1.070 25636 1112 1 4 . 1 1 43 43 LYS H H 43 9.029 9.029 8.779 0.250 25636 1113 1 4 . 1 1 44 44 ASP N N 44 110.443 110.443 116.553 -6.110 25636 1114 1 4 . 1 1 44 44 ASP HA H 44 4.338 4.338 4.670 -0.332 25636 1115 1 4 . 1 1 44 44 ASP CA C 44 53.074 53.074 53.760 -0.686 25636 1116 1 4 . 1 1 44 44 ASP CB C 44 41.337 41.337 42.207 -0.870 25636 1117 1 4 . 1 1 44 44 ASP H H 44 7.463 7.463 7.737 -0.274 25636 1118 1 4 . 1 1 45 45 GLN N N 45 112.575 112.575 118.002 -5.427 25636 1119 1 4 . 1 1 45 45 GLN HA H 45 4.064 4.064 3.970 0.094 25636 1120 1 4 . 1 1 45 45 GLN CA C 45 57.663 57.663 58.346 -0.683 25636 1121 1 4 . 1 1 45 45 GLN CB C 45 28.047 28.047 29.154 -1.107 25636 1122 1 4 . 1 1 45 45 GLN H H 45 8.370 8.370 8.339 0.031 25636 1123 1 4 . 1 1 46 46 ASN N N 46 117.659 117.659 117.902 -0.243 25636 1124 1 4 . 1 1 46 46 ASN HA H 46 4.536 4.536 4.688 -0.152 25636 1125 1 4 . 1 1 46 46 ASN CA C 46 55.271 55.271 53.310 1.961 25636 1126 1 4 . 1 1 46 46 ASN CB C 46 38.046 38.046 37.184 0.862 25636 1127 1 4 . 1 1 46 46 ASN H H 46 8.704 8.704 8.243 0.461 25636 1128 1 4 . 1 1 47 47 CYS N N 47 112.520 112.520 121.224 -8.704 25636 1129 1 4 . 1 1 47 47 CYS HA H 47 4.397 4.397 4.626 -0.229 25636 1130 1 4 . 1 1 47 47 CYS CA C 47 55.075 55.075 58.699 -3.623 25636 1131 1 4 . 1 1 47 47 CYS CB C 47 36.199 36.199 28.853 7.346 25636 1132 1 4 . 1 1 47 47 CYS H H 47 8.486 8.486 7.978 0.508 25636 1133 1 4 . 1 1 48 48 LYS N N 48 116.117 116.117 124.043 -7.926 25636 1134 1 4 . 1 1 48 48 LYS HA H 48 4.130 4.130 4.562 -0.432 25636 1135 1 4 . 1 1 48 48 LYS CA C 48 56.865 56.865 54.922 1.943 25636 1136 1 4 . 1 1 48 48 LYS CB C 48 32.180 32.180 34.643 -2.463 25636 1137 1 4 . 1 1 48 48 LYS H H 48 7.970 7.970 8.347 -0.377 25636 1138 1 4 . 1 1 49 49 VAL N N 49 126.872 126.872 120.318 6.554 25636 1139 1 4 . 1 1 49 49 VAL HA H 49 3.632 3.632 4.039 -0.407 25636 1140 1 4 . 1 1 49 49 VAL CA C 49 64.782 64.782 63.429 1.353 25636 1141 1 4 . 1 1 49 49 VAL CB C 49 30.317 30.317 31.566 -1.249 25636 1142 1 4 . 1 1 49 49 VAL H H 49 8.951 8.951 8.489 0.462 25636 1143 1 4 . 1 1 50 50 ILE N N 50 132.487 132.487 126.296 6.191 25636 1144 1 4 . 1 1 50 50 ILE HA H 50 4.135 4.135 4.354 -0.219 25636 1145 1 4 . 1 1 50 50 ILE CA C 50 60.535 60.535 60.091 0.444 25636 1146 1 4 . 1 1 50 50 ILE CB C 50 41.659 41.659 41.991 -0.332 25636 1147 1 4 . 1 1 50 50 ILE H H 50 8.666 8.666 7.600 1.066 25636 1148 1 4 . 1 1 51 51 LEU N N 51 125.179 125.179 123.414 1.765 25636 1149 1 4 . 1 1 51 51 LEU HA H 51 5.250 5.250 5.301 -0.051 25636 1150 1 4 . 1 1 51 51 LEU CA C 51 53.245 53.245 53.384 -0.139 25636 1151 1 4 . 1 1 51 51 LEU CB C 51 41.146 41.146 44.401 -3.255 25636 1152 1 4 . 1 1 51 51 LEU H H 51 8.789 8.789 8.224 0.565 25636 1153 1 4 . 1 1 52 52 THR N N 52 115.511 115.511 114.822 0.689 25636 1154 1 4 . 1 1 52 52 THR HA H 52 4.079 4.079 4.333 -0.254 25636 1155 1 4 . 1 1 52 52 THR CA C 52 63.822 63.822 62.750 1.072 25636 1156 1 4 . 1 1 52 52 THR CB C 52 68.335 68.335 68.826 -0.492 25636 1157 1 4 . 1 1 52 52 THR H H 52 8.528 8.528 8.471 0.057 25636 1158 1 4 . 1 1 53 53 ASN N N 53 116.941 116.941 119.274 -2.333 25636 1159 1 4 . 1 1 53 53 ASN HA H 53 4.514 4.514 4.820 -0.306 25636 1160 1 4 . 1 1 53 53 ASN CA C 53 52.740 52.740 52.672 0.068 25636 1161 1 4 . 1 1 53 53 ASN CB C 53 37.314 37.314 37.421 -0.107 25636 1162 1 4 . 1 1 53 53 ASN H H 53 8.149 8.149 8.042 0.107 25636 1163 1 4 . 1 1 54 54 GLY N N 54 106.580 106.580 107.768 -1.188 25636 1164 1 4 . 1 1 54 54 GLY CA C 54 45.735 45.735 45.980 -0.245 25636 1165 1 4 . 1 1 54 54 GLY H H 54 7.949 7.949 8.466 -0.517 25636 1166 1 4 . 1 1 55 55 LYS N N 55 120.679 120.679 118.676 2.003 25636 1167 1 4 . 1 1 55 55 LYS HA H 55 4.251 4.251 4.570 -0.319 25636 1168 1 4 . 1 1 55 55 LYS CA C 55 55.848 55.848 54.632 1.216 25636 1169 1 4 . 1 1 55 55 LYS CB C 55 32.595 32.595 35.374 -2.779 25636 1170 1 4 . 1 1 55 55 LYS H H 55 7.806 7.806 7.781 0.025 25636 1171 1 4 . 1 1 56 56 GLN N N 56 119.471 119.471 118.573 0.898 25636 1172 1 4 . 1 1 56 56 GLN HA H 56 4.114 4.114 4.602 -0.488 25636 1173 1 4 . 1 1 56 56 GLN CA C 56 55.865 55.865 54.297 1.568 25636 1174 1 4 . 1 1 56 56 GLN CB C 56 29.228 29.228 30.898 -1.670 25636 1175 1 4 . 1 1 56 56 GLN H H 56 8.241 8.241 8.398 -0.157 25636 1176 1 4 . 1 1 57 57 ALA N N 57 129.241 129.241 125.784 3.457 25636 1177 1 4 . 1 1 57 57 ALA HA H 57 4.136 4.136 4.046 0.090 25636 1178 1 4 . 1 1 57 57 ALA CA C 57 50.210 50.210 50.900 -0.690 25636 1179 1 4 . 1 1 57 57 ALA CB C 57 18.056 18.056 17.500 0.556 25636 1180 1 4 . 1 1 57 57 ALA H H 57 8.667 8.667 8.304 0.363 25636 1181 1 4 . 1 1 58 58 PRO HA H 58 4.181 4.181 4.363 -0.182 25636 1182 1 4 . 1 1 58 58 PRO CA C 58 62.162 62.162 61.926 0.236 25636 1183 1 4 . 1 1 58 58 PRO CB C 58 31.226 31.226 32.145 -0.919 25636 1184 1 4 . 1 1 59 59 ASP N N 59 120.839 120.839 117.516 3.323 25636 1185 1 4 . 1 1 59 59 ASP HA H 59 4.151 4.151 4.475 -0.324 25636 1186 1 4 . 1 1 59 59 ASP CA C 59 56.483 56.483 55.641 0.842 25636 1187 1 4 . 1 1 59 59 ASP CB C 59 40.568 40.568 40.977 -0.409 25636 1188 1 4 . 1 1 59 59 ASP H H 59 8.576 8.576 8.582 -0.006 25636 1189 1 4 . 1 1 60 60 TRP N N 60 114.095 114.095 116.979 -2.884 25636 1190 1 4 . 1 1 60 60 TRP HA H 60 4.460 4.460 4.750 -0.290 25636 1191 1 4 . 1 1 60 60 TRP CA C 60 54.579 54.579 55.379 -0.800 25636 1192 1 4 . 1 1 60 60 TRP CB C 60 29.366 29.366 28.710 0.656 25636 1193 1 4 . 1 1 60 60 TRP H H 60 6.701 6.701 7.568 -0.867 25636 1194 1 4 . 1 1 61 61 LEU N N 61 123.142 123.142 121.397 1.745 25636 1195 1 4 . 1 1 61 61 LEU HA H 61 4.743 4.743 4.212 0.531 25636 1196 1 4 . 1 1 61 61 LEU CA C 61 54.839 54.839 53.103 1.736 25636 1197 1 4 . 1 1 61 61 LEU CB C 61 42.083 42.083 42.449 -0.366 25636 1198 1 4 . 1 1 61 61 LEU H H 61 6.541 6.541 6.885 -0.344 25636 1199 1 4 . 1 1 62 62 ALA N N 62 131.106 131.106 126.620 4.486 25636 1200 1 4 . 1 1 62 62 ALA HA H 62 4.644 4.644 4.528 0.116 25636 1201 1 4 . 1 1 62 62 ALA CA C 62 50.478 50.478 50.888 -0.410 25636 1202 1 4 . 1 1 62 62 ALA CB C 62 23.434 23.434 21.926 1.508 25636 1203 1 4 . 1 1 62 62 ALA H H 62 8.993 8.993 7.731 1.262 25636 1204 1 4 . 1 1 63 63 ALA N N 63 118.796 118.796 121.454 -2.658 25636 1205 1 4 . 1 1 63 63 ALA HA H 63 5.633 5.633 4.749 0.884 25636 1206 1 4 . 1 1 63 63 ALA CA C 63 51.143 51.143 51.932 -0.789 25636 1207 1 4 . 1 1 63 63 ALA CB C 63 22.490 22.490 20.993 1.497 25636 1208 1 4 . 1 1 63 63 ALA H H 63 8.139 8.139 8.314 -0.175 25636 1209 1 4 . 1 1 64 64 GLU N N 64 116.715 116.715 122.040 -5.325 25636 1210 1 4 . 1 1 64 64 GLU HA H 64 4.902 4.902 4.957 -0.055 25636 1211 1 4 . 1 1 64 64 GLU CA C 64 53.009 53.009 52.882 0.127 25636 1212 1 4 . 1 1 64 64 GLU CB C 64 32.619 32.619 33.179 -0.560 25636 1213 1 4 . 1 1 64 64 GLU H H 64 8.563 8.563 7.991 0.572 25636 1214 1 4 . 1 1 65 65 PRO HA H 65 5.486 5.486 4.538 0.948 25636 1215 1 4 . 1 1 65 65 PRO CA C 65 62.878 62.878 63.240 -0.362 25636 1216 1 4 . 1 1 65 65 PRO CB C 65 32.606 32.606 32.269 0.337 25636 1217 1 5 . 1 1 2 2 PRO HA H 2 4.386 4.386 4.498 -0.112 25636 1218 1 5 . 1 1 2 2 PRO CA C 2 62.756 62.756 62.212 0.545 25636 1219 1 5 . 1 1 2 2 PRO CB C 2 32.034 32.034 32.585 -0.551 25636 1220 1 5 . 1 1 3 3 ALA N N 3 124.343 124.343 123.792 0.551 25636 1221 1 5 . 1 1 3 3 ALA HA H 3 4.306 4.306 4.479 -0.173 25636 1222 1 5 . 1 1 3 3 ALA CA C 3 52.756 52.756 51.707 1.049 25636 1223 1 5 . 1 1 3 3 ALA CB C 3 19.935 19.935 19.490 0.445 25636 1224 1 5 . 1 1 3 3 ALA H H 3 8.192 8.192 8.231 -0.039 25636 1225 1 5 . 1 1 4 4 ARG N N 4 119.928 119.928 123.293 -3.365 25636 1226 1 5 . 1 1 4 4 ARG HA H 4 4.323 4.323 4.612 -0.289 25636 1227 1 5 . 1 1 4 4 ARG CA C 4 56.231 56.231 55.216 1.015 25636 1228 1 5 . 1 1 4 4 ARG CB C 4 33.629 33.629 31.419 2.210 25636 1229 1 5 . 1 1 4 4 ARG H H 4 9.195 9.195 8.458 0.737 25636 1230 1 5 . 1 1 5 5 PHE N N 5 119.084 119.084 121.211 -2.127 25636 1231 1 5 . 1 1 5 5 PHE HA H 5 5.321 5.321 4.849 0.472 25636 1232 1 5 . 1 1 5 5 PHE CA C 5 56.914 56.914 57.264 -0.349 25636 1233 1 5 . 1 1 5 5 PHE CB C 5 43.554 43.554 43.380 0.174 25636 1234 1 5 . 1 1 5 5 PHE H H 5 9.242 9.242 8.500 0.742 25636 1235 1 5 . 1 1 6 6 CYS N N 6 116.173 116.173 117.496 -1.323 25636 1236 1 5 . 1 1 6 6 CYS HA H 6 5.281 5.281 5.017 0.264 25636 1237 1 5 . 1 1 6 6 CYS CA C 6 54.262 54.262 58.302 -4.040 25636 1238 1 5 . 1 1 6 6 CYS CB C 6 39.730 39.730 31.360 8.370 25636 1239 1 5 . 1 1 6 6 CYS H H 6 9.204 9.204 8.536 0.668 25636 1240 1 5 . 1 1 7 7 VAL N N 7 126.228 126.228 116.969 9.259 25636 1241 1 5 . 1 1 7 7 VAL HA H 7 4.314 4.314 4.741 -0.427 25636 1242 1 5 . 1 1 7 7 VAL CA C 7 60.665 60.665 60.025 0.640 25636 1243 1 5 . 1 1 7 7 VAL CB C 7 32.359 32.359 34.520 -2.162 25636 1244 1 5 . 1 1 7 7 VAL H H 7 9.474 9.474 8.558 0.916 25636 1245 1 5 . 1 1 8 8 TYR N N 8 123.478 123.478 124.412 -0.934 25636 1246 1 5 . 1 1 8 8 TYR HA H 8 5.120 5.120 4.877 0.243 25636 1247 1 5 . 1 1 8 8 TYR CA C 8 57.174 57.174 56.641 0.533 25636 1248 1 5 . 1 1 8 8 TYR CB C 8 40.918 40.918 41.892 -0.974 25636 1249 1 5 . 1 1 8 8 TYR H H 8 8.195 8.195 7.889 0.306 25636 1250 1 5 . 1 1 9 9 TYR N N 9 119.745 119.745 122.496 -2.751 25636 1251 1 5 . 1 1 9 9 TYR HA H 9 5.209 5.209 4.728 0.481 25636 1252 1 5 . 1 1 9 9 TYR CA C 9 56.930 56.930 57.084 -0.154 25636 1253 1 5 . 1 1 9 9 TYR CB C 9 44.026 44.026 42.470 1.556 25636 1254 1 5 . 1 1 9 9 TYR H H 9 9.410 9.410 7.777 1.633 25636 1255 1 5 . 1 1 10 10 ASP N N 10 118.515 118.515 118.912 -0.397 25636 1256 1 5 . 1 1 10 10 ASP HA H 10 5.203 5.203 5.048 0.155 25636 1257 1 5 . 1 1 10 10 ASP CA C 10 52.879 52.879 52.922 -0.043 25636 1258 1 5 . 1 1 10 10 ASP CB C 10 41.522 41.522 45.302 -3.780 25636 1259 1 5 . 1 1 10 10 ASP H H 10 8.948 8.948 8.417 0.531 25636 1260 1 5 . 1 1 11 11 GLY N N 11 114.853 114.853 108.712 6.141 25636 1261 1 5 . 1 1 11 11 GLY CA C 11 44.213 44.213 46.590 -2.377 25636 1262 1 5 . 1 1 11 11 GLY H H 11 9.014 9.014 8.452 0.562 25636 1263 1 5 . 1 1 12 12 HIS N N 12 114.423 114.423 121.053 -6.630 25636 1264 1 5 . 1 1 12 12 HIS HA H 12 4.415 4.415 4.512 -0.097 25636 1265 1 5 . 1 1 12 12 HIS CA C 12 56.572 56.572 54.569 2.003 25636 1266 1 5 . 1 1 12 12 HIS CB C 12 32.017 32.017 33.515 -1.498 25636 1267 1 5 . 1 1 12 12 HIS H H 12 8.133 8.133 7.769 0.364 25636 1268 1 5 . 1 1 13 13 LEU N N 13 123.763 123.763 125.000 -1.237 25636 1269 1 5 . 1 1 13 13 LEU HA H 13 4.777 4.777 4.203 0.574 25636 1270 1 5 . 1 1 13 13 LEU CA C 13 52.049 52.049 54.413 -2.364 25636 1271 1 5 . 1 1 13 13 LEU CB C 13 41.569 41.569 42.336 -0.767 25636 1272 1 5 . 1 1 13 13 LEU H H 13 8.385 8.385 8.641 -0.256 25636 1273 1 5 . 1 1 14 14 PRO HA H 14 3.707 3.707 4.342 -0.635 25636 1274 1 5 . 1 1 14 14 PRO CA C 14 65.579 65.579 64.204 1.375 25636 1275 1 5 . 1 1 14 14 PRO CB C 14 31.895 31.895 31.842 0.053 25636 1276 1 5 . 1 1 15 15 ALA N N 15 115.114 115.114 121.550 -6.436 25636 1277 1 5 . 1 1 15 15 ALA HA H 15 4.149 4.149 4.239 -0.090 25636 1278 1 5 . 1 1 15 15 ALA CA C 15 54.628 54.628 54.242 0.386 25636 1279 1 5 . 1 1 15 15 ALA CB C 15 19.577 19.577 19.269 0.308 25636 1280 1 5 . 1 1 15 15 ALA H H 15 8.162 8.162 8.123 0.039 25636 1281 1 5 . 1 1 16 16 THR N N 16 102.057 102.057 111.114 -9.057 25636 1282 1 5 . 1 1 16 16 THR HA H 16 4.553 4.553 4.461 0.092 25636 1283 1 5 . 1 1 16 16 THR CA C 16 60.331 60.331 60.996 -0.665 25636 1284 1 5 . 1 1 16 16 THR CB C 16 70.574 70.574 69.788 0.786 25636 1285 1 5 . 1 1 16 16 THR H H 16 7.153 7.153 7.597 -0.444 25636 1286 1 5 . 1 1 17 17 ARG N N 17 122.509 122.509 123.571 -1.062 25636 1287 1 5 . 1 1 17 17 ARG HA H 17 4.716 4.716 4.246 0.470 25636 1288 1 5 . 1 1 17 17 ARG CA C 17 56.296 56.296 57.623 -1.327 25636 1289 1 5 . 1 1 17 17 ARG CB C 17 30.021 30.021 30.899 -0.878 25636 1290 1 5 . 1 1 17 17 ARG H H 17 7.901 7.901 7.760 0.141 25636 1291 1 5 . 1 1 18 18 VAL N N 18 122.027 122.027 122.660 -0.633 25636 1292 1 5 . 1 1 18 18 VAL HA H 18 4.293 4.293 4.271 0.022 25636 1293 1 5 . 1 1 18 18 VAL CA C 18 61.462 61.462 61.066 0.396 25636 1294 1 5 . 1 1 18 18 VAL CB C 18 35.247 35.247 33.663 1.584 25636 1295 1 5 . 1 1 18 18 VAL H H 18 8.568 8.568 8.770 -0.202 25636 1296 1 5 . 1 1 19 19 LEU N N 19 130.327 130.327 126.886 3.441 25636 1297 1 5 . 1 1 19 19 LEU HA H 19 3.718 3.718 3.627 0.091 25636 1298 1 5 . 1 1 19 19 LEU CA C 19 57.467 57.467 55.152 2.315 25636 1299 1 5 . 1 1 19 19 LEU CB C 19 41.862 41.862 42.430 -0.568 25636 1300 1 5 . 1 1 19 19 LEU H H 19 8.670 8.670 8.468 0.202 25636 1301 1 5 . 1 1 20 20 LEU N N 20 126.389 126.389 128.362 -1.973 25636 1302 1 5 . 1 1 20 20 LEU HA H 20 4.588 4.588 4.258 0.330 25636 1303 1 5 . 1 1 20 20 LEU CA C 20 55.873 55.873 56.299 -0.426 25636 1304 1 5 . 1 1 20 20 LEU CB C 20 42.513 42.513 42.666 -0.152 25636 1305 1 5 . 1 1 20 20 LEU H H 20 9.236 9.236 7.983 1.253 25636 1306 1 5 . 1 1 21 21 MET N N 21 114.450 114.450 111.858 2.592 25636 1307 1 5 . 1 1 21 21 MET HA H 21 4.423 4.423 4.575 -0.152 25636 1308 1 5 . 1 1 21 21 MET CA C 21 56.214 56.214 54.904 1.310 25636 1309 1 5 . 1 1 21 21 MET CB C 21 36.964 36.964 36.389 0.575 25636 1310 1 5 . 1 1 21 21 MET H H 21 7.022 7.022 7.483 -0.461 25636 1311 1 5 . 1 1 22 22 TYR N N 22 123.123 123.123 119.901 3.222 25636 1312 1 5 . 1 1 22 22 TYR HA H 22 4.777 4.777 4.601 0.176 25636 1313 1 5 . 1 1 22 22 TYR CA C 22 57.988 57.988 58.299 -0.311 25636 1314 1 5 . 1 1 22 22 TYR CB C 22 39.356 39.356 39.360 -0.004 25636 1315 1 5 . 1 1 22 22 TYR H H 22 8.515 8.515 8.600 -0.085 25636 1316 1 5 . 1 1 23 23 VAL N N 23 123.811 123.811 123.170 0.641 25636 1317 1 5 . 1 1 23 23 VAL HA H 23 4.371 4.371 4.473 -0.102 25636 1318 1 5 . 1 1 23 23 VAL CA C 23 61.503 61.503 61.091 0.412 25636 1319 1 5 . 1 1 23 23 VAL CB C 23 35.418 35.418 32.691 2.727 25636 1320 1 5 . 1 1 23 23 VAL H H 23 9.417 9.417 8.890 0.527 25636 1321 1 5 . 1 1 24 24 ARG N N 24 129.194 129.194 126.656 2.538 25636 1322 1 5 . 1 1 24 24 ARG HA H 24 3.885 3.885 4.337 -0.452 25636 1323 1 5 . 1 1 24 24 ARG CA C 24 56.784 56.784 55.964 0.820 25636 1324 1 5 . 1 1 24 24 ARG CB C 24 30.178 30.178 30.805 -0.627 25636 1325 1 5 . 1 1 24 24 ARG H H 24 8.892 8.892 8.863 0.029 25636 1326 1 5 . 1 1 25 25 ILE N N 25 128.158 128.158 123.828 4.330 25636 1327 1 5 . 1 1 25 25 ILE HA H 25 3.655 3.655 4.040 -0.386 25636 1328 1 5 . 1 1 25 25 ILE CA C 25 64.879 64.879 59.793 5.086 25636 1329 1 5 . 1 1 25 25 ILE CB C 25 37.154 37.154 34.153 3.002 25636 1330 1 5 . 1 1 25 25 ILE H H 25 8.312 8.312 8.556 -0.244 25636 1331 1 5 . 1 1 26 26 GLY N N 26 115.464 115.464 111.446 4.018 25636 1332 1 5 . 1 1 26 26 GLY CA C 26 44.352 44.352 45.561 -1.209 25636 1333 1 5 . 1 1 26 26 GLY H H 26 9.389 9.389 8.295 1.094 25636 1334 1 5 . 1 1 27 27 THR N N 27 111.341 111.341 115.158 -3.817 25636 1335 1 5 . 1 1 27 27 THR HA H 27 4.926 4.926 4.630 0.296 25636 1336 1 5 . 1 1 27 27 THR CA C 27 60.299 60.299 61.020 -0.721 25636 1337 1 5 . 1 1 27 27 THR CB C 27 72.194 72.194 70.388 1.806 25636 1338 1 5 . 1 1 27 27 THR H H 27 7.877 7.877 7.620 0.257 25636 1339 1 5 . 1 1 28 28 THR N N 28 108.952 108.952 115.902 -6.950 25636 1340 1 5 . 1 1 28 28 THR HA H 28 5.353 5.353 4.537 0.816 25636 1341 1 5 . 1 1 28 28 THR CA C 28 59.143 59.143 61.346 -2.203 25636 1342 1 5 . 1 1 28 28 THR CB C 28 71.706 71.706 69.076 2.630 25636 1343 1 5 . 1 1 28 28 THR H H 28 7.732 7.732 8.212 -0.480 25636 1344 1 5 . 1 1 29 29 ALA N N 29 122.383 122.383 129.518 -7.135 25636 1345 1 5 . 1 1 29 29 ALA HA H 29 4.621 4.621 4.731 -0.110 25636 1346 1 5 . 1 1 29 29 ALA CA C 29 51.796 51.796 51.136 0.660 25636 1347 1 5 . 1 1 29 29 ALA CB C 29 24.556 24.556 21.586 2.970 25636 1348 1 5 . 1 1 29 29 ALA H H 29 8.634 8.634 8.472 0.162 25636 1349 1 5 . 1 1 30 30 THR N N 30 115.881 115.881 113.263 2.618 25636 1350 1 5 . 1 1 30 30 THR HA H 30 4.885 4.885 4.840 0.045 25636 1351 1 5 . 1 1 30 30 THR CA C 30 62.300 62.300 60.791 1.509 25636 1352 1 5 . 1 1 30 30 THR CB C 30 69.265 69.265 70.624 -1.359 25636 1353 1 5 . 1 1 30 30 THR H H 30 8.317 8.317 8.070 0.247 25636 1354 1 5 . 1 1 31 31 ILE N N 31 126.005 126.005 123.697 2.308 25636 1355 1 5 . 1 1 31 31 ILE HA H 31 4.388 4.388 4.491 -0.103 25636 1356 1 5 . 1 1 31 31 ILE CA C 31 59.562 59.562 60.440 -0.878 25636 1357 1 5 . 1 1 31 31 ILE CB C 31 40.634 40.634 41.667 -1.033 25636 1358 1 5 . 1 1 31 31 ILE H H 31 9.166 9.166 9.002 0.164 25636 1359 1 5 . 1 1 32 32 THR N N 32 120.162 120.162 122.408 -2.246 25636 1360 1 5 . 1 1 32 32 THR HA H 32 5.300 5.300 5.215 0.085 25636 1361 1 5 . 1 1 32 32 THR CA C 32 60.885 60.885 61.050 -0.165 25636 1362 1 5 . 1 1 32 32 THR CB C 32 69.867 69.867 69.681 0.186 25636 1363 1 5 . 1 1 32 32 THR H H 32 8.441 8.441 8.574 -0.133 25636 1364 1 5 . 1 1 33 33 ALA N N 33 127.525 127.525 127.133 0.392 25636 1365 1 5 . 1 1 33 33 ALA HA H 33 4.644 4.644 4.729 -0.085 25636 1366 1 5 . 1 1 33 33 ALA CA C 33 51.975 51.975 52.015 -0.040 25636 1367 1 5 . 1 1 33 33 ALA CB C 33 22.897 22.897 21.596 1.301 25636 1368 1 5 . 1 1 33 33 ALA H H 33 9.130 9.130 8.914 0.216 25636 1369 1 5 . 1 1 34 34 ARG N N 34 118.330 118.330 121.680 -3.350 25636 1370 1 5 . 1 1 34 34 ARG HA H 34 3.814 3.814 4.040 -0.226 25636 1371 1 5 . 1 1 34 34 ARG CA C 34 57.028 57.028 56.851 0.177 25636 1372 1 5 . 1 1 34 34 ARG CB C 34 27.337 27.337 28.433 -1.096 25636 1373 1 5 . 1 1 34 34 ARG H H 34 9.232 9.232 9.218 0.014 25636 1374 1 5 . 1 1 35 35 GLY N N 35 104.002 104.002 104.314 -0.312 25636 1375 1 5 . 1 1 35 35 GLY CA C 35 45.368 45.368 45.374 -0.006 25636 1376 1 5 . 1 1 35 35 GLY H H 35 8.642 8.642 8.441 0.201 25636 1377 1 5 . 1 1 36 36 HIS N N 36 119.875 119.875 118.947 0.928 25636 1378 1 5 . 1 1 36 36 HIS HA H 36 4.703 4.703 4.752 -0.049 25636 1379 1 5 . 1 1 36 36 HIS CA C 36 54.376 54.376 55.171 -0.795 25636 1380 1 5 . 1 1 36 36 HIS CB C 36 32.880 32.880 33.235 -0.355 25636 1381 1 5 . 1 1 36 36 HIS H H 36 8.188 8.188 7.944 0.244 25636 1382 1 5 . 1 1 37 37 GLU N N 37 119.578 119.578 121.094 -1.516 25636 1383 1 5 . 1 1 37 37 GLU HA H 37 5.018 5.018 4.878 0.140 25636 1384 1 5 . 1 1 37 37 GLU CA C 37 55.092 55.092 54.689 0.403 25636 1385 1 5 . 1 1 37 37 GLU CB C 37 31.863 31.863 31.124 0.739 25636 1386 1 5 . 1 1 37 37 GLU H H 37 7.991 7.991 8.465 -0.474 25636 1387 1 5 . 1 1 38 38 PHE N N 38 121.593 121.593 123.209 -1.616 25636 1388 1 5 . 1 1 38 38 PHE HA H 38 4.755 4.755 4.784 -0.029 25636 1389 1 5 . 1 1 38 38 PHE CA C 38 56.442 56.442 56.392 0.050 25636 1390 1 5 . 1 1 38 38 PHE CB C 38 41.569 41.569 41.550 0.019 25636 1391 1 5 . 1 1 38 38 PHE H H 38 9.149 9.149 9.078 0.071 25636 1392 1 5 . 1 1 39 39 GLU N N 39 125.332 125.332 126.049 -0.717 25636 1393 1 5 . 1 1 39 39 GLU HA H 39 5.186 5.186 4.583 0.603 25636 1394 1 5 . 1 1 39 39 GLU CA C 39 55.531 55.531 55.507 0.024 25636 1395 1 5 . 1 1 39 39 GLU CB C 39 30.309 30.309 30.577 -0.268 25636 1396 1 5 . 1 1 39 39 GLU H H 39 8.539 8.539 8.977 -0.438 25636 1397 1 5 . 1 1 40 40 VAL N N 40 120.623 120.623 121.096 -0.473 25636 1398 1 5 . 1 1 40 40 VAL HA H 40 5.396 5.396 4.824 0.572 25636 1399 1 5 . 1 1 40 40 VAL CA C 40 58.517 58.517 59.356 -0.839 25636 1400 1 5 . 1 1 40 40 VAL CB C 40 34.287 34.287 34.296 -0.009 25636 1401 1 5 . 1 1 40 40 VAL H H 40 8.773 8.773 7.492 1.281 25636 1402 1 5 . 1 1 41 41 GLU N N 41 118.742 118.742 121.810 -3.068 25636 1403 1 5 . 1 1 41 41 GLU HA H 41 4.553 4.553 4.550 0.003 25636 1404 1 5 . 1 1 41 41 GLU CA C 41 54.359 54.359 55.032 -0.673 25636 1405 1 5 . 1 1 41 41 GLU CB C 41 32.408 32.408 31.779 0.629 25636 1406 1 5 . 1 1 41 41 GLU H H 41 7.973 7.973 8.552 -0.579 25636 1407 1 5 . 1 1 42 42 ALA N N 42 132.540 132.540 128.694 3.846 25636 1408 1 5 . 1 1 42 42 ALA HA H 42 4.662 4.662 4.600 0.062 25636 1409 1 5 . 1 1 42 42 ALA CA C 42 50.446 50.446 51.352 -0.906 25636 1410 1 5 . 1 1 42 42 ALA CB C 42 18.015 18.015 19.779 -1.764 25636 1411 1 5 . 1 1 42 42 ALA H H 42 8.181 8.181 8.518 -0.337 25636 1412 1 5 . 1 1 43 43 LYS N N 43 125.936 125.936 122.519 3.417 25636 1413 1 5 . 1 1 43 43 LYS HA H 43 3.955 3.955 4.458 -0.503 25636 1414 1 5 . 1 1 43 43 LYS CA C 43 59.648 59.648 56.349 3.299 25636 1415 1 5 . 1 1 43 43 LYS CB C 43 34.670 34.670 33.676 0.994 25636 1416 1 5 . 1 1 43 43 LYS H H 43 9.029 9.029 8.670 0.359 25636 1417 1 5 . 1 1 44 44 ASP N N 44 110.443 110.443 115.451 -5.008 25636 1418 1 5 . 1 1 44 44 ASP HA H 44 4.338 4.338 4.647 -0.309 25636 1419 1 5 . 1 1 44 44 ASP CA C 44 53.074 53.074 53.519 -0.445 25636 1420 1 5 . 1 1 44 44 ASP CB C 44 41.337 41.337 41.336 0.001 25636 1421 1 5 . 1 1 44 44 ASP H H 44 7.463 7.463 7.578 -0.115 25636 1422 1 5 . 1 1 45 45 GLN N N 45 112.575 112.575 116.919 -4.344 25636 1423 1 5 . 1 1 45 45 GLN HA H 45 4.064 4.064 3.989 0.075 25636 1424 1 5 . 1 1 45 45 GLN CA C 45 57.663 57.663 58.342 -0.679 25636 1425 1 5 . 1 1 45 45 GLN CB C 45 28.047 28.047 29.020 -0.973 25636 1426 1 5 . 1 1 45 45 GLN H H 45 8.370 8.370 8.396 -0.026 25636 1427 1 5 . 1 1 46 46 ASN N N 46 117.659 117.659 118.317 -0.658 25636 1428 1 5 . 1 1 46 46 ASN HA H 46 4.536 4.536 4.738 -0.202 25636 1429 1 5 . 1 1 46 46 ASN CA C 46 55.271 55.271 53.169 2.102 25636 1430 1 5 . 1 1 46 46 ASN CB C 46 38.046 38.046 38.127 -0.080 25636 1431 1 5 . 1 1 46 46 ASN H H 46 8.704 8.704 7.882 0.822 25636 1432 1 5 . 1 1 47 47 CYS N N 47 112.520 112.520 122.770 -10.250 25636 1433 1 5 . 1 1 47 47 CYS HA H 47 4.397 4.397 4.640 -0.243 25636 1434 1 5 . 1 1 47 47 CYS CA C 47 55.075 55.075 58.379 -3.304 25636 1435 1 5 . 1 1 47 47 CYS CB C 47 36.199 36.199 28.992 7.207 25636 1436 1 5 . 1 1 47 47 CYS H H 47 8.486 8.486 7.959 0.527 25636 1437 1 5 . 1 1 48 48 LYS N N 48 116.117 116.117 123.707 -7.590 25636 1438 1 5 . 1 1 48 48 LYS HA H 48 4.130 4.130 4.589 -0.459 25636 1439 1 5 . 1 1 48 48 LYS CA C 48 56.865 56.865 54.746 2.119 25636 1440 1 5 . 1 1 48 48 LYS CB C 48 32.180 32.180 34.456 -2.276 25636 1441 1 5 . 1 1 48 48 LYS H H 48 7.970 7.970 8.435 -0.465 25636 1442 1 5 . 1 1 49 49 VAL N N 49 126.872 126.872 120.335 6.537 25636 1443 1 5 . 1 1 49 49 VAL HA H 49 3.632 3.632 4.079 -0.447 25636 1444 1 5 . 1 1 49 49 VAL CA C 49 64.782 64.782 63.031 1.751 25636 1445 1 5 . 1 1 49 49 VAL CB C 49 30.317 30.317 31.144 -0.827 25636 1446 1 5 . 1 1 49 49 VAL H H 49 8.951 8.951 8.544 0.407 25636 1447 1 5 . 1 1 50 50 ILE N N 50 132.487 132.487 126.758 5.729 25636 1448 1 5 . 1 1 50 50 ILE HA H 50 4.135 4.135 4.380 -0.245 25636 1449 1 5 . 1 1 50 50 ILE CA C 50 60.535 60.535 60.307 0.228 25636 1450 1 5 . 1 1 50 50 ILE CB C 50 41.659 41.659 42.104 -0.445 25636 1451 1 5 . 1 1 50 50 ILE H H 50 8.666 8.666 7.782 0.884 25636 1452 1 5 . 1 1 51 51 LEU N N 51 125.179 125.179 123.848 1.331 25636 1453 1 5 . 1 1 51 51 LEU HA H 51 5.250 5.250 5.412 -0.162 25636 1454 1 5 . 1 1 51 51 LEU CA C 51 53.245 53.245 53.402 -0.157 25636 1455 1 5 . 1 1 51 51 LEU CB C 51 41.146 41.146 44.524 -3.378 25636 1456 1 5 . 1 1 51 51 LEU H H 51 8.789 8.789 8.223 0.566 25636 1457 1 5 . 1 1 52 52 THR N N 52 115.511 115.511 113.438 2.073 25636 1458 1 5 . 1 1 52 52 THR HA H 52 4.079 4.079 4.394 -0.315 25636 1459 1 5 . 1 1 52 52 THR CA C 52 63.822 63.822 62.790 1.032 25636 1460 1 5 . 1 1 52 52 THR CB C 52 68.335 68.335 68.698 -0.363 25636 1461 1 5 . 1 1 52 52 THR H H 52 8.528 8.528 8.594 -0.066 25636 1462 1 5 . 1 1 53 53 ASN N N 53 116.941 116.941 120.025 -3.084 25636 1463 1 5 . 1 1 53 53 ASN HA H 53 4.514 4.514 4.734 -0.220 25636 1464 1 5 . 1 1 53 53 ASN CA C 53 52.740 52.740 51.855 0.885 25636 1465 1 5 . 1 1 53 53 ASN CB C 53 37.314 37.314 36.990 0.324 25636 1466 1 5 . 1 1 53 53 ASN H H 53 8.149 8.149 7.918 0.231 25636 1467 1 5 . 1 1 54 54 GLY N N 54 106.580 106.580 106.804 -0.224 25636 1468 1 5 . 1 1 54 54 GLY CA C 54 45.735 45.735 45.865 -0.130 25636 1469 1 5 . 1 1 54 54 GLY H H 54 7.949 7.949 8.446 -0.497 25636 1470 1 5 . 1 1 55 55 LYS N N 55 120.679 120.679 118.319 2.360 25636 1471 1 5 . 1 1 55 55 LYS HA H 55 4.251 4.251 4.580 -0.329 25636 1472 1 5 . 1 1 55 55 LYS CA C 55 55.848 55.848 54.718 1.130 25636 1473 1 5 . 1 1 55 55 LYS CB C 55 32.595 32.595 36.030 -3.435 25636 1474 1 5 . 1 1 55 55 LYS H H 55 7.806 7.806 7.868 -0.062 25636 1475 1 5 . 1 1 56 56 GLN N N 56 119.471 119.471 119.291 0.180 25636 1476 1 5 . 1 1 56 56 GLN HA H 56 4.114 4.114 4.538 -0.424 25636 1477 1 5 . 1 1 56 56 GLN CA C 56 55.865 55.865 53.898 1.967 25636 1478 1 5 . 1 1 56 56 GLN CB C 56 29.228 29.228 31.019 -1.791 25636 1479 1 5 . 1 1 56 56 GLN H H 56 8.241 8.241 8.379 -0.138 25636 1480 1 5 . 1 1 57 57 ALA N N 57 129.241 129.241 125.410 3.831 25636 1481 1 5 . 1 1 57 57 ALA HA H 57 4.136 4.136 3.985 0.151 25636 1482 1 5 . 1 1 57 57 ALA CA C 57 50.210 50.210 51.069 -0.859 25636 1483 1 5 . 1 1 57 57 ALA CB C 57 18.056 18.056 17.432 0.624 25636 1484 1 5 . 1 1 57 57 ALA H H 57 8.667 8.667 8.446 0.221 25636 1485 1 5 . 1 1 58 58 PRO HA H 58 4.181 4.181 4.285 -0.104 25636 1486 1 5 . 1 1 58 58 PRO CA C 58 62.162 62.162 61.934 0.228 25636 1487 1 5 . 1 1 58 58 PRO CB C 58 31.226 31.226 31.890 -0.664 25636 1488 1 5 . 1 1 59 59 ASP N N 59 120.839 120.839 116.980 3.859 25636 1489 1 5 . 1 1 59 59 ASP HA H 59 4.151 4.151 4.474 -0.323 25636 1490 1 5 . 1 1 59 59 ASP CA C 59 56.483 56.483 55.577 0.906 25636 1491 1 5 . 1 1 59 59 ASP CB C 59 40.568 40.568 41.062 -0.494 25636 1492 1 5 . 1 1 59 59 ASP H H 59 8.576 8.576 8.449 0.127 25636 1493 1 5 . 1 1 60 60 TRP N N 60 114.095 114.095 117.044 -2.949 25636 1494 1 5 . 1 1 60 60 TRP HA H 60 4.460 4.460 4.829 -0.369 25636 1495 1 5 . 1 1 60 60 TRP CA C 60 54.579 54.579 55.087 -0.508 25636 1496 1 5 . 1 1 60 60 TRP CB C 60 29.366 29.366 28.624 0.742 25636 1497 1 5 . 1 1 60 60 TRP H H 60 6.701 6.701 7.204 -0.503 25636 1498 1 5 . 1 1 61 61 LEU N N 61 123.142 123.142 121.202 1.940 25636 1499 1 5 . 1 1 61 61 LEU HA H 61 4.743 4.743 4.275 0.468 25636 1500 1 5 . 1 1 61 61 LEU CA C 61 54.839 54.839 53.095 1.744 25636 1501 1 5 . 1 1 61 61 LEU CB C 61 42.083 42.083 43.286 -1.203 25636 1502 1 5 . 1 1 61 61 LEU H H 61 6.541 6.541 6.939 -0.398 25636 1503 1 5 . 1 1 62 62 ALA N N 62 131.106 131.106 125.409 5.697 25636 1504 1 5 . 1 1 62 62 ALA HA H 62 4.644 4.644 4.453 0.191 25636 1505 1 5 . 1 1 62 62 ALA CA C 62 50.478 50.478 51.150 -0.672 25636 1506 1 5 . 1 1 62 62 ALA CB C 62 23.434 23.434 22.083 1.351 25636 1507 1 5 . 1 1 62 62 ALA H H 62 8.993 8.993 7.740 1.253 25636 1508 1 5 . 1 1 63 63 ALA N N 63 118.796 118.796 121.132 -2.336 25636 1509 1 5 . 1 1 63 63 ALA HA H 63 5.633 5.633 4.833 0.800 25636 1510 1 5 . 1 1 63 63 ALA CA C 63 51.143 51.143 52.045 -0.902 25636 1511 1 5 . 1 1 63 63 ALA CB C 63 22.490 22.490 21.256 1.234 25636 1512 1 5 . 1 1 63 63 ALA H H 63 8.139 8.139 8.189 -0.050 25636 1513 1 5 . 1 1 64 64 GLU N N 64 116.715 116.715 124.019 -7.304 25636 1514 1 5 . 1 1 64 64 GLU HA H 64 4.902 4.902 4.817 0.085 25636 1515 1 5 . 1 1 64 64 GLU CA C 64 53.009 53.009 53.398 -0.389 25636 1516 1 5 . 1 1 64 64 GLU CB C 64 32.619 32.619 31.223 1.396 25636 1517 1 5 . 1 1 64 64 GLU H H 64 8.563 8.563 8.230 0.333 25636 1518 1 5 . 1 1 65 65 PRO HA H 65 5.486 5.486 4.498 0.988 25636 1519 1 5 . 1 1 65 65 PRO CA C 65 62.878 62.878 62.882 -0.004 25636 1520 1 5 . 1 1 65 65 PRO CB C 65 32.606 32.606 32.700 -0.094 25636 1521 1 6 . 1 1 2 2 PRO HA H 2 4.386 4.386 4.530 -0.144 25636 1522 1 6 . 1 1 2 2 PRO CA C 2 62.756 62.756 62.956 -0.200 25636 1523 1 6 . 1 1 2 2 PRO CB C 2 32.034 32.034 32.306 -0.272 25636 1524 1 6 . 1 1 3 3 ALA N N 3 124.343 124.343 126.422 -2.079 25636 1525 1 6 . 1 1 3 3 ALA HA H 3 4.306 4.306 4.491 -0.185 25636 1526 1 6 . 1 1 3 3 ALA CA C 3 52.756 52.756 51.861 0.895 25636 1527 1 6 . 1 1 3 3 ALA CB C 3 19.935 19.935 19.989 -0.054 25636 1528 1 6 . 1 1 3 3 ALA H H 3 8.192 8.192 8.351 -0.159 25636 1529 1 6 . 1 1 4 4 ARG N N 4 119.928 119.928 119.581 0.347 25636 1530 1 6 . 1 1 4 4 ARG HA H 4 4.323 4.323 4.834 -0.511 25636 1531 1 6 . 1 1 4 4 ARG CA C 4 56.231 56.231 55.038 1.193 25636 1532 1 6 . 1 1 4 4 ARG CB C 4 33.629 33.629 33.218 0.411 25636 1533 1 6 . 1 1 4 4 ARG H H 4 9.195 9.195 8.347 0.848 25636 1534 1 6 . 1 1 5 5 PHE N N 5 119.084 119.084 117.986 1.098 25636 1535 1 6 . 1 1 5 5 PHE HA H 5 5.321 5.321 4.679 0.642 25636 1536 1 6 . 1 1 5 5 PHE CA C 5 56.914 56.914 56.972 -0.058 25636 1537 1 6 . 1 1 5 5 PHE CB C 5 43.554 43.554 42.864 0.690 25636 1538 1 6 . 1 1 5 5 PHE H H 5 9.242 9.242 8.478 0.764 25636 1539 1 6 . 1 1 6 6 CYS N N 6 116.173 116.173 117.615 -1.442 25636 1540 1 6 . 1 1 6 6 CYS HA H 6 5.281 5.281 4.966 0.315 25636 1541 1 6 . 1 1 6 6 CYS CA C 6 54.262 54.262 58.325 -4.062 25636 1542 1 6 . 1 1 6 6 CYS CB C 6 39.730 39.730 30.757 8.973 25636 1543 1 6 . 1 1 6 6 CYS H H 6 9.204 9.204 8.452 0.752 25636 1544 1 6 . 1 1 7 7 VAL N N 7 126.228 126.228 117.253 8.975 25636 1545 1 6 . 1 1 7 7 VAL HA H 7 4.314 4.314 4.674 -0.360 25636 1546 1 6 . 1 1 7 7 VAL CA C 7 60.665 60.665 59.131 1.534 25636 1547 1 6 . 1 1 7 7 VAL CB C 7 32.359 32.359 34.259 -1.900 25636 1548 1 6 . 1 1 7 7 VAL H H 7 9.474 9.474 8.778 0.696 25636 1549 1 6 . 1 1 8 8 TYR N N 8 123.478 123.478 122.348 1.130 25636 1550 1 6 . 1 1 8 8 TYR HA H 8 5.120 5.120 4.749 0.371 25636 1551 1 6 . 1 1 8 8 TYR CA C 8 57.174 57.174 56.309 0.865 25636 1552 1 6 . 1 1 8 8 TYR CB C 8 40.918 40.918 42.296 -1.378 25636 1553 1 6 . 1 1 8 8 TYR H H 8 8.195 8.195 7.608 0.587 25636 1554 1 6 . 1 1 9 9 TYR N N 9 119.745 119.745 121.803 -2.058 25636 1555 1 6 . 1 1 9 9 TYR HA H 9 5.209 5.209 4.775 0.434 25636 1556 1 6 . 1 1 9 9 TYR CA C 9 56.930 56.930 56.779 0.151 25636 1557 1 6 . 1 1 9 9 TYR CB C 9 44.026 44.026 42.070 1.956 25636 1558 1 6 . 1 1 9 9 TYR H H 9 9.410 9.410 7.683 1.727 25636 1559 1 6 . 1 1 10 10 ASP N N 10 118.515 118.515 118.651 -0.136 25636 1560 1 6 . 1 1 10 10 ASP HA H 10 5.203 5.203 5.038 0.165 25636 1561 1 6 . 1 1 10 10 ASP CA C 10 52.879 52.879 52.865 0.014 25636 1562 1 6 . 1 1 10 10 ASP CB C 10 41.522 41.522 45.043 -3.521 25636 1563 1 6 . 1 1 10 10 ASP H H 10 8.948 8.948 8.406 0.542 25636 1564 1 6 . 1 1 11 11 GLY N N 11 114.853 114.853 108.971 5.882 25636 1565 1 6 . 1 1 11 11 GLY CA C 11 44.213 44.213 46.779 -2.566 25636 1566 1 6 . 1 1 11 11 GLY H H 11 9.014 9.014 8.670 0.344 25636 1567 1 6 . 1 1 12 12 HIS N N 12 114.423 114.423 121.935 -7.512 25636 1568 1 6 . 1 1 12 12 HIS HA H 12 4.415 4.415 4.484 -0.069 25636 1569 1 6 . 1 1 12 12 HIS CA C 12 56.572 56.572 54.582 1.990 25636 1570 1 6 . 1 1 12 12 HIS CB C 12 32.017 32.017 33.087 -1.070 25636 1571 1 6 . 1 1 12 12 HIS H H 12 8.133 8.133 7.842 0.291 25636 1572 1 6 . 1 1 13 13 LEU N N 13 123.763 123.763 124.944 -1.181 25636 1573 1 6 . 1 1 13 13 LEU HA H 13 4.777 4.777 4.232 0.545 25636 1574 1 6 . 1 1 13 13 LEU CA C 13 52.049 52.049 54.569 -2.520 25636 1575 1 6 . 1 1 13 13 LEU CB C 13 41.569 41.569 42.504 -0.935 25636 1576 1 6 . 1 1 13 13 LEU H H 13 8.385 8.385 8.678 -0.293 25636 1577 1 6 . 1 1 14 14 PRO HA H 14 3.707 3.707 4.177 -0.470 25636 1578 1 6 . 1 1 14 14 PRO CA C 14 65.579 65.579 64.264 1.315 25636 1579 1 6 . 1 1 14 14 PRO CB C 14 31.895 31.895 31.709 0.186 25636 1580 1 6 . 1 1 15 15 ALA N N 15 115.114 115.114 121.377 -6.263 25636 1581 1 6 . 1 1 15 15 ALA HA H 15 4.149 4.149 4.237 -0.088 25636 1582 1 6 . 1 1 15 15 ALA CA C 15 54.628 54.628 53.749 0.879 25636 1583 1 6 . 1 1 15 15 ALA CB C 15 19.577 19.577 18.900 0.677 25636 1584 1 6 . 1 1 15 15 ALA H H 15 8.162 8.162 8.091 0.071 25636 1585 1 6 . 1 1 16 16 THR N N 16 102.057 102.057 111.203 -9.146 25636 1586 1 6 . 1 1 16 16 THR HA H 16 4.553 4.553 4.408 0.145 25636 1587 1 6 . 1 1 16 16 THR CA C 16 60.331 60.331 61.111 -0.780 25636 1588 1 6 . 1 1 16 16 THR CB C 16 70.574 70.574 69.600 0.974 25636 1589 1 6 . 1 1 16 16 THR H H 16 7.153 7.153 7.451 -0.298 25636 1590 1 6 . 1 1 17 17 ARG N N 17 122.509 122.509 122.322 0.187 25636 1591 1 6 . 1 1 17 17 ARG HA H 17 4.716 4.716 3.941 0.775 25636 1592 1 6 . 1 1 17 17 ARG CA C 17 56.296 56.296 57.235 -0.939 25636 1593 1 6 . 1 1 17 17 ARG CB C 17 30.021 30.021 30.721 -0.700 25636 1594 1 6 . 1 1 17 17 ARG H H 17 7.901 7.901 7.493 0.408 25636 1595 1 6 . 1 1 18 18 VAL N N 18 122.027 122.027 122.455 -0.428 25636 1596 1 6 . 1 1 18 18 VAL HA H 18 4.293 4.293 4.276 0.017 25636 1597 1 6 . 1 1 18 18 VAL CA C 18 61.462 61.462 61.224 0.238 25636 1598 1 6 . 1 1 18 18 VAL CB C 18 35.247 35.247 33.992 1.255 25636 1599 1 6 . 1 1 18 18 VAL H H 18 8.568 8.568 8.697 -0.129 25636 1600 1 6 . 1 1 19 19 LEU N N 19 130.327 130.327 126.917 3.410 25636 1601 1 6 . 1 1 19 19 LEU HA H 19 3.718 3.718 4.425 -0.707 25636 1602 1 6 . 1 1 19 19 LEU CA C 19 57.467 57.467 55.317 2.150 25636 1603 1 6 . 1 1 19 19 LEU CB C 19 41.862 41.862 42.722 -0.860 25636 1604 1 6 . 1 1 19 19 LEU H H 19 8.670 8.670 8.558 0.112 25636 1605 1 6 . 1 1 20 20 LEU N N 20 126.389 126.389 128.465 -2.076 25636 1606 1 6 . 1 1 20 20 LEU HA H 20 4.588 4.588 4.312 0.276 25636 1607 1 6 . 1 1 20 20 LEU CA C 20 55.873 55.873 56.529 -0.656 25636 1608 1 6 . 1 1 20 20 LEU CB C 20 42.513 42.513 42.625 -0.112 25636 1609 1 6 . 1 1 20 20 LEU H H 20 9.236 9.236 8.251 0.986 25636 1610 1 6 . 1 1 21 21 MET N N 21 114.450 114.450 111.738 2.712 25636 1611 1 6 . 1 1 21 21 MET HA H 21 4.423 4.423 4.554 -0.131 25636 1612 1 6 . 1 1 21 21 MET CA C 21 56.214 56.214 55.095 1.119 25636 1613 1 6 . 1 1 21 21 MET CB C 21 36.964 36.964 36.359 0.605 25636 1614 1 6 . 1 1 21 21 MET H H 21 7.022 7.022 7.514 -0.492 25636 1615 1 6 . 1 1 22 22 TYR N N 22 123.123 123.123 119.586 3.537 25636 1616 1 6 . 1 1 22 22 TYR HA H 22 4.777 4.777 4.578 0.199 25636 1617 1 6 . 1 1 22 22 TYR CA C 22 57.988 57.988 58.602 -0.614 25636 1618 1 6 . 1 1 22 22 TYR CB C 22 39.356 39.356 39.380 -0.024 25636 1619 1 6 . 1 1 22 22 TYR H H 22 8.515 8.515 8.561 -0.046 25636 1620 1 6 . 1 1 23 23 VAL N N 23 123.811 123.811 124.373 -0.562 25636 1621 1 6 . 1 1 23 23 VAL HA H 23 4.371 4.371 4.390 -0.019 25636 1622 1 6 . 1 1 23 23 VAL CA C 23 61.503 61.503 61.358 0.145 25636 1623 1 6 . 1 1 23 23 VAL CB C 23 35.418 35.418 33.154 2.264 25636 1624 1 6 . 1 1 23 23 VAL H H 23 9.417 9.417 9.005 0.412 25636 1625 1 6 . 1 1 24 24 ARG N N 24 129.194 129.194 126.977 2.217 25636 1626 1 6 . 1 1 24 24 ARG HA H 24 3.885 3.885 4.370 -0.485 25636 1627 1 6 . 1 1 24 24 ARG CA C 24 56.784 56.784 56.230 0.554 25636 1628 1 6 . 1 1 24 24 ARG CB C 24 30.178 30.178 30.718 -0.540 25636 1629 1 6 . 1 1 24 24 ARG H H 24 8.892 8.892 8.729 0.163 25636 1630 1 6 . 1 1 25 25 ILE N N 25 128.158 128.158 123.398 4.760 25636 1631 1 6 . 1 1 25 25 ILE HA H 25 3.655 3.655 4.040 -0.385 25636 1632 1 6 . 1 1 25 25 ILE CA C 25 64.879 64.879 59.722 5.157 25636 1633 1 6 . 1 1 25 25 ILE CB C 25 37.154 37.154 34.344 2.810 25636 1634 1 6 . 1 1 25 25 ILE H H 25 8.312 8.312 8.178 0.134 25636 1635 1 6 . 1 1 26 26 GLY N N 26 115.464 115.464 111.321 4.143 25636 1636 1 6 . 1 1 26 26 GLY CA C 26 44.352 44.352 45.519 -1.167 25636 1637 1 6 . 1 1 26 26 GLY H H 26 9.389 9.389 8.251 1.138 25636 1638 1 6 . 1 1 27 27 THR N N 27 111.341 111.341 114.893 -3.552 25636 1639 1 6 . 1 1 27 27 THR HA H 27 4.926 4.926 4.560 0.366 25636 1640 1 6 . 1 1 27 27 THR CA C 27 60.299 60.299 60.835 -0.536 25636 1641 1 6 . 1 1 27 27 THR CB C 27 72.194 72.194 70.380 1.814 25636 1642 1 6 . 1 1 27 27 THR H H 27 7.877 7.877 7.567 0.310 25636 1643 1 6 . 1 1 28 28 THR N N 28 108.952 108.952 115.218 -6.266 25636 1644 1 6 . 1 1 28 28 THR HA H 28 5.353 5.353 4.508 0.845 25636 1645 1 6 . 1 1 28 28 THR CA C 28 59.143 59.143 61.472 -2.329 25636 1646 1 6 . 1 1 28 28 THR CB C 28 71.706 71.706 69.626 2.080 25636 1647 1 6 . 1 1 28 28 THR H H 28 7.732 7.732 8.231 -0.499 25636 1648 1 6 . 1 1 29 29 ALA N N 29 122.383 122.383 129.084 -6.701 25636 1649 1 6 . 1 1 29 29 ALA HA H 29 4.621 4.621 4.713 -0.092 25636 1650 1 6 . 1 1 29 29 ALA CA C 29 51.796 51.796 51.083 0.713 25636 1651 1 6 . 1 1 29 29 ALA CB C 29 24.556 24.556 21.814 2.742 25636 1652 1 6 . 1 1 29 29 ALA H H 29 8.634 8.634 8.331 0.303 25636 1653 1 6 . 1 1 30 30 THR N N 30 115.881 115.881 114.220 1.661 25636 1654 1 6 . 1 1 30 30 THR HA H 30 4.885 4.885 4.856 0.029 25636 1655 1 6 . 1 1 30 30 THR CA C 30 62.300 62.300 61.085 1.215 25636 1656 1 6 . 1 1 30 30 THR CB C 30 69.265 69.265 70.567 -1.302 25636 1657 1 6 . 1 1 30 30 THR H H 30 8.317 8.317 8.056 0.261 25636 1658 1 6 . 1 1 31 31 ILE N N 31 126.005 126.005 125.024 0.981 25636 1659 1 6 . 1 1 31 31 ILE HA H 31 4.388 4.388 4.483 -0.095 25636 1660 1 6 . 1 1 31 31 ILE CA C 31 59.562 59.562 60.493 -0.931 25636 1661 1 6 . 1 1 31 31 ILE CB C 31 40.634 40.634 41.359 -0.725 25636 1662 1 6 . 1 1 31 31 ILE H H 31 9.166 9.166 9.110 0.056 25636 1663 1 6 . 1 1 32 32 THR N N 32 120.162 120.162 122.647 -2.485 25636 1664 1 6 . 1 1 32 32 THR HA H 32 5.300 5.300 5.198 0.102 25636 1665 1 6 . 1 1 32 32 THR CA C 32 60.885 60.885 61.215 -0.330 25636 1666 1 6 . 1 1 32 32 THR CB C 32 69.867 69.867 69.330 0.537 25636 1667 1 6 . 1 1 32 32 THR H H 32 8.441 8.441 8.644 -0.203 25636 1668 1 6 . 1 1 33 33 ALA N N 33 127.525 127.525 128.155 -0.630 25636 1669 1 6 . 1 1 33 33 ALA HA H 33 4.644 4.644 4.802 -0.158 25636 1670 1 6 . 1 1 33 33 ALA CA C 33 51.975 51.975 51.684 0.290 25636 1671 1 6 . 1 1 33 33 ALA CB C 33 22.897 22.897 21.648 1.249 25636 1672 1 6 . 1 1 33 33 ALA H H 33 9.130 9.130 8.926 0.204 25636 1673 1 6 . 1 1 34 34 ARG N N 34 118.330 118.330 122.107 -3.777 25636 1674 1 6 . 1 1 34 34 ARG HA H 34 3.814 3.814 3.976 -0.162 25636 1675 1 6 . 1 1 34 34 ARG CA C 34 57.028 57.028 56.490 0.538 25636 1676 1 6 . 1 1 34 34 ARG CB C 34 27.337 27.337 27.864 -0.527 25636 1677 1 6 . 1 1 34 34 ARG H H 34 9.232 9.232 9.159 0.073 25636 1678 1 6 . 1 1 35 35 GLY N N 35 104.002 104.002 104.028 -0.026 25636 1679 1 6 . 1 1 35 35 GLY CA C 35 45.368 45.368 45.113 0.255 25636 1680 1 6 . 1 1 35 35 GLY H H 35 8.642 8.642 8.434 0.208 25636 1681 1 6 . 1 1 36 36 HIS N N 36 119.875 119.875 119.051 0.824 25636 1682 1 6 . 1 1 36 36 HIS HA H 36 4.703 4.703 4.655 0.048 25636 1683 1 6 . 1 1 36 36 HIS CA C 36 54.376 54.376 54.651 -0.276 25636 1684 1 6 . 1 1 36 36 HIS CB C 36 32.880 32.880 32.453 0.427 25636 1685 1 6 . 1 1 36 36 HIS H H 36 8.188 8.188 7.989 0.199 25636 1686 1 6 . 1 1 37 37 GLU N N 37 119.578 119.578 123.630 -4.052 25636 1687 1 6 . 1 1 37 37 GLU HA H 37 5.018 5.018 4.778 0.240 25636 1688 1 6 . 1 1 37 37 GLU CA C 37 55.092 55.092 55.499 -0.407 25636 1689 1 6 . 1 1 37 37 GLU CB C 37 31.863 31.863 30.570 1.293 25636 1690 1 6 . 1 1 37 37 GLU H H 37 7.991 7.991 8.634 -0.643 25636 1691 1 6 . 1 1 38 38 PHE N N 38 121.593 121.593 125.277 -3.684 25636 1692 1 6 . 1 1 38 38 PHE HA H 38 4.755 4.755 4.704 0.051 25636 1693 1 6 . 1 1 38 38 PHE CA C 38 56.442 56.442 56.076 0.366 25636 1694 1 6 . 1 1 38 38 PHE CB C 38 41.569 41.569 40.675 0.894 25636 1695 1 6 . 1 1 38 38 PHE H H 38 9.149 9.149 9.122 0.027 25636 1696 1 6 . 1 1 39 39 GLU N N 39 125.332 125.332 126.634 -1.302 25636 1697 1 6 . 1 1 39 39 GLU HA H 39 5.186 5.186 4.754 0.432 25636 1698 1 6 . 1 1 39 39 GLU CA C 39 55.531 55.531 54.850 0.681 25636 1699 1 6 . 1 1 39 39 GLU CB C 39 30.309 30.309 30.526 -0.216 25636 1700 1 6 . 1 1 39 39 GLU H H 39 8.539 8.539 9.072 -0.533 25636 1701 1 6 . 1 1 40 40 VAL N N 40 120.623 120.623 119.638 0.985 25636 1702 1 6 . 1 1 40 40 VAL HA H 40 5.396 5.396 4.880 0.516 25636 1703 1 6 . 1 1 40 40 VAL CA C 40 58.517 58.517 58.868 -0.351 25636 1704 1 6 . 1 1 40 40 VAL CB C 40 34.287 34.287 33.880 0.406 25636 1705 1 6 . 1 1 40 40 VAL H H 40 8.773 8.773 7.823 0.950 25636 1706 1 6 . 1 1 41 41 GLU N N 41 118.742 118.742 120.504 -1.762 25636 1707 1 6 . 1 1 41 41 GLU HA H 41 4.553 4.553 4.475 0.078 25636 1708 1 6 . 1 1 41 41 GLU CA C 41 54.359 54.359 55.117 -0.758 25636 1709 1 6 . 1 1 41 41 GLU CB C 41 32.408 32.408 32.046 0.362 25636 1710 1 6 . 1 1 41 41 GLU H H 41 7.973 7.973 8.426 -0.453 25636 1711 1 6 . 1 1 42 42 ALA N N 42 132.540 132.540 128.418 4.122 25636 1712 1 6 . 1 1 42 42 ALA HA H 42 4.662 4.662 4.596 0.066 25636 1713 1 6 . 1 1 42 42 ALA CA C 42 50.446 50.446 51.283 -0.837 25636 1714 1 6 . 1 1 42 42 ALA CB C 42 18.015 18.015 19.797 -1.782 25636 1715 1 6 . 1 1 42 42 ALA H H 42 8.181 8.181 8.468 -0.287 25636 1716 1 6 . 1 1 43 43 LYS N N 43 125.936 125.936 122.280 3.656 25636 1717 1 6 . 1 1 43 43 LYS HA H 43 3.955 3.955 4.433 -0.478 25636 1718 1 6 . 1 1 43 43 LYS CA C 43 59.648 59.648 56.363 3.285 25636 1719 1 6 . 1 1 43 43 LYS CB C 43 34.670 34.670 33.614 1.056 25636 1720 1 6 . 1 1 43 43 LYS H H 43 9.029 9.029 8.684 0.345 25636 1721 1 6 . 1 1 44 44 ASP N N 44 110.443 110.443 116.475 -6.032 25636 1722 1 6 . 1 1 44 44 ASP HA H 44 4.338 4.338 4.586 -0.248 25636 1723 1 6 . 1 1 44 44 ASP CA C 44 53.074 53.074 53.578 -0.504 25636 1724 1 6 . 1 1 44 44 ASP CB C 44 41.337 41.337 41.236 0.101 25636 1725 1 6 . 1 1 44 44 ASP H H 44 7.463 7.463 7.608 -0.145 25636 1726 1 6 . 1 1 45 45 GLN N N 45 112.575 112.575 117.114 -4.539 25636 1727 1 6 . 1 1 45 45 GLN HA H 45 4.064 4.064 3.990 0.074 25636 1728 1 6 . 1 1 45 45 GLN CA C 45 57.663 57.663 57.883 -0.220 25636 1729 1 6 . 1 1 45 45 GLN CB C 45 28.047 28.047 28.885 -0.838 25636 1730 1 6 . 1 1 45 45 GLN H H 45 8.370 8.370 8.603 -0.233 25636 1731 1 6 . 1 1 46 46 ASN N N 46 117.659 117.659 119.887 -2.228 25636 1732 1 6 . 1 1 46 46 ASN HA H 46 4.536 4.536 4.756 -0.220 25636 1733 1 6 . 1 1 46 46 ASN CA C 46 55.271 55.271 53.181 2.090 25636 1734 1 6 . 1 1 46 46 ASN CB C 46 38.046 38.046 38.279 -0.233 25636 1735 1 6 . 1 1 46 46 ASN H H 46 8.704 8.704 8.029 0.675 25636 1736 1 6 . 1 1 47 47 CYS N N 47 112.520 112.520 121.930 -9.410 25636 1737 1 6 . 1 1 47 47 CYS HA H 47 4.397 4.397 4.633 -0.236 25636 1738 1 6 . 1 1 47 47 CYS CA C 47 55.075 55.075 58.458 -3.383 25636 1739 1 6 . 1 1 47 47 CYS CB C 47 36.199 36.199 28.945 7.255 25636 1740 1 6 . 1 1 47 47 CYS H H 47 8.486 8.486 7.991 0.495 25636 1741 1 6 . 1 1 48 48 LYS N N 48 116.117 116.117 124.067 -7.950 25636 1742 1 6 . 1 1 48 48 LYS HA H 48 4.130 4.130 4.555 -0.425 25636 1743 1 6 . 1 1 48 48 LYS CA C 48 56.865 56.865 54.941 1.923 25636 1744 1 6 . 1 1 48 48 LYS CB C 48 32.180 32.180 34.690 -2.510 25636 1745 1 6 . 1 1 48 48 LYS H H 48 7.970 7.970 8.372 -0.402 25636 1746 1 6 . 1 1 49 49 VAL N N 49 126.872 126.872 120.422 6.450 25636 1747 1 6 . 1 1 49 49 VAL HA H 49 3.632 3.632 4.037 -0.405 25636 1748 1 6 . 1 1 49 49 VAL CA C 49 64.782 64.782 63.308 1.474 25636 1749 1 6 . 1 1 49 49 VAL CB C 49 30.317 30.317 31.248 -0.931 25636 1750 1 6 . 1 1 49 49 VAL H H 49 8.951 8.951 8.515 0.436 25636 1751 1 6 . 1 1 50 50 ILE N N 50 132.487 132.487 126.321 6.166 25636 1752 1 6 . 1 1 50 50 ILE HA H 50 4.135 4.135 4.379 -0.244 25636 1753 1 6 . 1 1 50 50 ILE CA C 50 60.535 60.535 60.342 0.193 25636 1754 1 6 . 1 1 50 50 ILE CB C 50 41.659 41.659 42.083 -0.424 25636 1755 1 6 . 1 1 50 50 ILE H H 50 8.666 8.666 7.692 0.974 25636 1756 1 6 . 1 1 51 51 LEU N N 51 125.179 125.179 124.236 0.943 25636 1757 1 6 . 1 1 51 51 LEU HA H 51 5.250 5.250 5.295 -0.045 25636 1758 1 6 . 1 1 51 51 LEU CA C 51 53.245 53.245 53.409 -0.164 25636 1759 1 6 . 1 1 51 51 LEU CB C 51 41.146 41.146 44.277 -3.131 25636 1760 1 6 . 1 1 51 51 LEU H H 51 8.789 8.789 8.147 0.642 25636 1761 1 6 . 1 1 52 52 THR N N 52 115.511 115.511 115.395 0.116 25636 1762 1 6 . 1 1 52 52 THR HA H 52 4.079 4.079 4.322 -0.243 25636 1763 1 6 . 1 1 52 52 THR CA C 52 63.822 63.822 62.946 0.876 25636 1764 1 6 . 1 1 52 52 THR CB C 52 68.335 68.335 68.823 -0.488 25636 1765 1 6 . 1 1 52 52 THR H H 52 8.528 8.528 8.479 0.049 25636 1766 1 6 . 1 1 53 53 ASN N N 53 116.941 116.941 120.173 -3.232 25636 1767 1 6 . 1 1 53 53 ASN HA H 53 4.514 4.514 4.831 -0.317 25636 1768 1 6 . 1 1 53 53 ASN CA C 53 52.740 52.740 52.335 0.405 25636 1769 1 6 . 1 1 53 53 ASN CB C 53 37.314 37.314 38.218 -0.904 25636 1770 1 6 . 1 1 53 53 ASN H H 53 8.149 8.149 7.986 0.163 25636 1771 1 6 . 1 1 54 54 GLY N N 54 106.580 106.580 106.141 0.439 25636 1772 1 6 . 1 1 54 54 GLY CA C 54 45.735 45.735 45.988 -0.253 25636 1773 1 6 . 1 1 54 54 GLY H H 54 7.949 7.949 8.438 -0.489 25636 1774 1 6 . 1 1 55 55 LYS N N 55 120.679 120.679 118.213 2.466 25636 1775 1 6 . 1 1 55 55 LYS HA H 55 4.251 4.251 4.588 -0.337 25636 1776 1 6 . 1 1 55 55 LYS CA C 55 55.848 55.848 54.866 0.982 25636 1777 1 6 . 1 1 55 55 LYS CB C 55 32.595 32.595 35.911 -3.316 25636 1778 1 6 . 1 1 55 55 LYS H H 55 7.806 7.806 7.825 -0.019 25636 1779 1 6 . 1 1 56 56 GLN N N 56 119.471 119.471 118.859 0.612 25636 1780 1 6 . 1 1 56 56 GLN HA H 56 4.114 4.114 4.623 -0.509 25636 1781 1 6 . 1 1 56 56 GLN CA C 56 55.865 55.865 54.197 1.669 25636 1782 1 6 . 1 1 56 56 GLN CB C 56 29.228 29.228 31.169 -1.942 25636 1783 1 6 . 1 1 56 56 GLN H H 56 8.241 8.241 8.428 -0.187 25636 1784 1 6 . 1 1 57 57 ALA N N 57 129.241 129.241 125.073 4.168 25636 1785 1 6 . 1 1 57 57 ALA HA H 57 4.136 4.136 4.037 0.099 25636 1786 1 6 . 1 1 57 57 ALA CA C 57 50.210 50.210 50.812 -0.603 25636 1787 1 6 . 1 1 57 57 ALA CB C 57 18.056 18.056 17.454 0.602 25636 1788 1 6 . 1 1 57 57 ALA H H 57 8.667 8.667 8.349 0.318 25636 1789 1 6 . 1 1 58 58 PRO HA H 58 4.181 4.181 4.274 -0.093 25636 1790 1 6 . 1 1 58 58 PRO CA C 58 62.162 62.162 61.768 0.394 25636 1791 1 6 . 1 1 58 58 PRO CB C 58 31.226 31.226 31.885 -0.659 25636 1792 1 6 . 1 1 59 59 ASP N N 59 120.839 120.839 117.453 3.386 25636 1793 1 6 . 1 1 59 59 ASP HA H 59 4.151 4.151 4.501 -0.350 25636 1794 1 6 . 1 1 59 59 ASP CA C 59 56.483 56.483 55.303 1.180 25636 1795 1 6 . 1 1 59 59 ASP CB C 59 40.568 40.568 41.025 -0.457 25636 1796 1 6 . 1 1 59 59 ASP H H 59 8.576 8.576 8.539 0.037 25636 1797 1 6 . 1 1 60 60 TRP N N 60 114.095 114.095 117.656 -3.561 25636 1798 1 6 . 1 1 60 60 TRP HA H 60 4.460 4.460 4.848 -0.388 25636 1799 1 6 . 1 1 60 60 TRP CA C 60 54.579 54.579 55.073 -0.494 25636 1800 1 6 . 1 1 60 60 TRP CB C 60 29.366 29.366 28.631 0.735 25636 1801 1 6 . 1 1 60 60 TRP H H 60 6.701 6.701 7.200 -0.499 25636 1802 1 6 . 1 1 61 61 LEU N N 61 123.142 123.142 121.195 1.947 25636 1803 1 6 . 1 1 61 61 LEU HA H 61 4.743 4.743 4.289 0.454 25636 1804 1 6 . 1 1 61 61 LEU CA C 61 54.839 54.839 53.052 1.787 25636 1805 1 6 . 1 1 61 61 LEU CB C 61 42.083 42.083 43.584 -1.501 25636 1806 1 6 . 1 1 61 61 LEU H H 61 6.541 6.541 6.956 -0.415 25636 1807 1 6 . 1 1 62 62 ALA N N 62 131.106 131.106 125.462 5.644 25636 1808 1 6 . 1 1 62 62 ALA HA H 62 4.644 4.644 4.524 0.120 25636 1809 1 6 . 1 1 62 62 ALA CA C 62 50.478 50.478 51.165 -0.687 25636 1810 1 6 . 1 1 62 62 ALA CB C 62 23.434 23.434 21.678 1.756 25636 1811 1 6 . 1 1 62 62 ALA H H 62 8.993 8.993 7.696 1.297 25636 1812 1 6 . 1 1 63 63 ALA N N 63 118.796 118.796 121.893 -3.097 25636 1813 1 6 . 1 1 63 63 ALA HA H 63 5.633 5.633 4.894 0.739 25636 1814 1 6 . 1 1 63 63 ALA CA C 63 51.143 51.143 51.979 -0.836 25636 1815 1 6 . 1 1 63 63 ALA CB C 63 22.490 22.490 20.866 1.624 25636 1816 1 6 . 1 1 63 63 ALA H H 63 8.139 8.139 8.339 -0.200 25636 1817 1 6 . 1 1 64 64 GLU N N 64 116.715 116.715 123.799 -7.084 25636 1818 1 6 . 1 1 64 64 GLU HA H 64 4.902 4.902 4.975 -0.073 25636 1819 1 6 . 1 1 64 64 GLU CA C 64 53.009 53.009 53.046 -0.037 25636 1820 1 6 . 1 1 64 64 GLU CB C 64 32.619 32.619 31.883 0.736 25636 1821 1 6 . 1 1 64 64 GLU H H 64 8.563 8.563 8.203 0.360 25636 1822 1 6 . 1 1 65 65 PRO HA H 65 5.486 5.486 4.570 0.916 25636 1823 1 6 . 1 1 65 65 PRO CA C 65 62.878 62.878 62.981 -0.103 25636 1824 1 6 . 1 1 65 65 PRO CB C 65 32.606 32.606 32.502 0.104 25636 1825 1 7 . 1 1 2 2 PRO HA H 2 4.386 4.386 4.481 -0.095 25636 1826 1 7 . 1 1 2 2 PRO CA C 2 62.756 62.756 62.644 0.112 25636 1827 1 7 . 1 1 2 2 PRO CB C 2 32.034 32.034 32.194 -0.160 25636 1828 1 7 . 1 1 3 3 ALA N N 3 124.343 124.343 126.284 -1.941 25636 1829 1 7 . 1 1 3 3 ALA HA H 3 4.306 4.306 4.393 -0.087 25636 1830 1 7 . 1 1 3 3 ALA CA C 3 52.756 52.756 52.193 0.563 25636 1831 1 7 . 1 1 3 3 ALA CB C 3 19.935 19.935 19.532 0.403 25636 1832 1 7 . 1 1 3 3 ALA H H 3 8.192 8.192 8.339 -0.147 25636 1833 1 7 . 1 1 4 4 ARG N N 4 119.928 119.928 121.661 -1.733 25636 1834 1 7 . 1 1 4 4 ARG HA H 4 4.323 4.323 4.702 -0.379 25636 1835 1 7 . 1 1 4 4 ARG CA C 4 56.231 56.231 55.589 0.642 25636 1836 1 7 . 1 1 4 4 ARG CB C 4 33.629 33.629 33.538 0.091 25636 1837 1 7 . 1 1 4 4 ARG H H 4 9.195 9.195 8.355 0.840 25636 1838 1 7 . 1 1 5 5 PHE N N 5 119.084 119.084 117.880 1.204 25636 1839 1 7 . 1 1 5 5 PHE HA H 5 5.321 5.321 4.731 0.590 25636 1840 1 7 . 1 1 5 5 PHE CA C 5 56.914 56.914 56.913 0.001 25636 1841 1 7 . 1 1 5 5 PHE CB C 5 43.554 43.554 43.300 0.254 25636 1842 1 7 . 1 1 5 5 PHE H H 5 9.242 9.242 8.309 0.933 25636 1843 1 7 . 1 1 6 6 CYS N N 6 116.173 116.173 118.122 -1.949 25636 1844 1 7 . 1 1 6 6 CYS HA H 6 5.281 5.281 5.024 0.257 25636 1845 1 7 . 1 1 6 6 CYS CA C 6 54.262 54.262 58.412 -4.150 25636 1846 1 7 . 1 1 6 6 CYS CB C 6 39.730 39.730 30.644 9.086 25636 1847 1 7 . 1 1 6 6 CYS H H 6 9.204 9.204 8.647 0.557 25636 1848 1 7 . 1 1 7 7 VAL N N 7 126.228 126.228 118.298 7.930 25636 1849 1 7 . 1 1 7 7 VAL HA H 7 4.314 4.314 4.769 -0.455 25636 1850 1 7 . 1 1 7 7 VAL CA C 7 60.665 60.665 59.293 1.372 25636 1851 1 7 . 1 1 7 7 VAL CB C 7 32.359 32.359 34.359 -2.000 25636 1852 1 7 . 1 1 7 7 VAL H H 7 9.474 9.474 8.990 0.484 25636 1853 1 7 . 1 1 8 8 TYR N N 8 123.478 123.478 123.598 -0.120 25636 1854 1 7 . 1 1 8 8 TYR HA H 8 5.120 5.120 4.724 0.396 25636 1855 1 7 . 1 1 8 8 TYR CA C 8 57.174 57.174 56.635 0.539 25636 1856 1 7 . 1 1 8 8 TYR CB C 8 40.918 40.918 41.817 -0.899 25636 1857 1 7 . 1 1 8 8 TYR H H 8 8.195 8.195 7.773 0.422 25636 1858 1 7 . 1 1 9 9 TYR N N 9 119.745 119.745 121.519 -1.774 25636 1859 1 7 . 1 1 9 9 TYR HA H 9 5.209 5.209 4.786 0.423 25636 1860 1 7 . 1 1 9 9 TYR CA C 9 56.930 56.930 57.035 -0.105 25636 1861 1 7 . 1 1 9 9 TYR CB C 9 44.026 44.026 42.653 1.373 25636 1862 1 7 . 1 1 9 9 TYR H H 9 9.410 9.410 7.727 1.683 25636 1863 1 7 . 1 1 10 10 ASP N N 10 118.515 118.515 119.289 -0.774 25636 1864 1 7 . 1 1 10 10 ASP HA H 10 5.203 5.203 5.019 0.184 25636 1865 1 7 . 1 1 10 10 ASP CA C 10 52.879 52.879 52.315 0.564 25636 1866 1 7 . 1 1 10 10 ASP CB C 10 41.522 41.522 45.049 -3.527 25636 1867 1 7 . 1 1 10 10 ASP H H 10 8.948 8.948 8.470 0.478 25636 1868 1 7 . 1 1 11 11 GLY N N 11 114.853 114.853 108.975 5.878 25636 1869 1 7 . 1 1 11 11 GLY CA C 11 44.213 44.213 46.490 -2.277 25636 1870 1 7 . 1 1 11 11 GLY H H 11 9.014 9.014 8.571 0.443 25636 1871 1 7 . 1 1 12 12 HIS N N 12 114.423 114.423 121.891 -7.468 25636 1872 1 7 . 1 1 12 12 HIS HA H 12 4.415 4.415 4.440 -0.025 25636 1873 1 7 . 1 1 12 12 HIS CA C 12 56.572 56.572 55.054 1.518 25636 1874 1 7 . 1 1 12 12 HIS CB C 12 32.017 32.017 32.678 -0.661 25636 1875 1 7 . 1 1 12 12 HIS H H 12 8.133 8.133 8.085 0.048 25636 1876 1 7 . 1 1 13 13 LEU N N 13 123.763 123.763 124.968 -1.205 25636 1877 1 7 . 1 1 13 13 LEU HA H 13 4.777 4.777 4.257 0.520 25636 1878 1 7 . 1 1 13 13 LEU CA C 13 52.049 52.049 54.158 -2.109 25636 1879 1 7 . 1 1 13 13 LEU CB C 13 41.569 41.569 42.556 -0.987 25636 1880 1 7 . 1 1 13 13 LEU H H 13 8.385 8.385 8.638 -0.253 25636 1881 1 7 . 1 1 14 14 PRO HA H 14 3.707 3.707 4.305 -0.598 25636 1882 1 7 . 1 1 14 14 PRO CA C 14 65.579 65.579 64.247 1.332 25636 1883 1 7 . 1 1 14 14 PRO CB C 14 31.895 31.895 31.907 -0.011 25636 1884 1 7 . 1 1 15 15 ALA N N 15 115.114 115.114 121.925 -6.811 25636 1885 1 7 . 1 1 15 15 ALA HA H 15 4.149 4.149 4.266 -0.117 25636 1886 1 7 . 1 1 15 15 ALA CA C 15 54.628 54.628 54.379 0.249 25636 1887 1 7 . 1 1 15 15 ALA CB C 15 19.577 19.577 19.000 0.577 25636 1888 1 7 . 1 1 15 15 ALA H H 15 8.162 8.162 8.160 0.002 25636 1889 1 7 . 1 1 16 16 THR N N 16 102.057 102.057 111.670 -9.613 25636 1890 1 7 . 1 1 16 16 THR HA H 16 4.553 4.553 4.436 0.117 25636 1891 1 7 . 1 1 16 16 THR CA C 16 60.331 60.331 60.710 -0.379 25636 1892 1 7 . 1 1 16 16 THR CB C 16 70.574 70.574 69.588 0.986 25636 1893 1 7 . 1 1 16 16 THR H H 16 7.153 7.153 7.628 -0.475 25636 1894 1 7 . 1 1 17 17 ARG N N 17 122.509 122.509 123.266 -0.757 25636 1895 1 7 . 1 1 17 17 ARG HA H 17 4.716 4.716 4.200 0.516 25636 1896 1 7 . 1 1 17 17 ARG CA C 17 56.296 56.296 56.993 -0.697 25636 1897 1 7 . 1 1 17 17 ARG CB C 17 30.021 30.021 30.605 -0.584 25636 1898 1 7 . 1 1 17 17 ARG H H 17 7.901 7.901 7.640 0.261 25636 1899 1 7 . 1 1 18 18 VAL N N 18 122.027 122.027 120.465 1.562 25636 1900 1 7 . 1 1 18 18 VAL HA H 18 4.293 4.293 4.282 0.011 25636 1901 1 7 . 1 1 18 18 VAL CA C 18 61.462 61.462 61.370 0.092 25636 1902 1 7 . 1 1 18 18 VAL CB C 18 35.247 35.247 34.632 0.615 25636 1903 1 7 . 1 1 18 18 VAL H H 18 8.568 8.568 8.606 -0.038 25636 1904 1 7 . 1 1 19 19 LEU N N 19 130.327 130.327 127.570 2.757 25636 1905 1 7 . 1 1 19 19 LEU HA H 19 3.718 3.718 4.167 -0.449 25636 1906 1 7 . 1 1 19 19 LEU CA C 19 57.467 57.467 55.167 2.300 25636 1907 1 7 . 1 1 19 19 LEU CB C 19 41.862 41.862 42.575 -0.713 25636 1908 1 7 . 1 1 19 19 LEU H H 19 8.670 8.670 8.512 0.158 25636 1909 1 7 . 1 1 20 20 LEU N N 20 126.389 126.389 128.874 -2.485 25636 1910 1 7 . 1 1 20 20 LEU HA H 20 4.588 4.588 4.283 0.305 25636 1911 1 7 . 1 1 20 20 LEU CA C 20 55.873 55.873 56.577 -0.704 25636 1912 1 7 . 1 1 20 20 LEU CB C 20 42.513 42.513 42.728 -0.215 25636 1913 1 7 . 1 1 20 20 LEU H H 20 9.236 9.236 8.163 1.073 25636 1914 1 7 . 1 1 21 21 MET N N 21 114.450 114.450 112.030 2.420 25636 1915 1 7 . 1 1 21 21 MET HA H 21 4.423 4.423 4.580 -0.157 25636 1916 1 7 . 1 1 21 21 MET CA C 21 56.214 56.214 54.837 1.377 25636 1917 1 7 . 1 1 21 21 MET CB C 21 36.964 36.964 36.189 0.775 25636 1918 1 7 . 1 1 21 21 MET H H 21 7.022 7.022 7.530 -0.508 25636 1919 1 7 . 1 1 22 22 TYR N N 22 123.123 123.123 119.853 3.270 25636 1920 1 7 . 1 1 22 22 TYR HA H 22 4.777 4.777 4.600 0.177 25636 1921 1 7 . 1 1 22 22 TYR CA C 22 57.988 57.988 58.362 -0.374 25636 1922 1 7 . 1 1 22 22 TYR CB C 22 39.356 39.356 39.386 -0.030 25636 1923 1 7 . 1 1 22 22 TYR H H 22 8.515 8.515 8.635 -0.120 25636 1924 1 7 . 1 1 23 23 VAL N N 23 123.811 123.811 122.940 0.871 25636 1925 1 7 . 1 1 23 23 VAL HA H 23 4.371 4.371 4.436 -0.065 25636 1926 1 7 . 1 1 23 23 VAL CA C 23 61.503 61.503 61.316 0.188 25636 1927 1 7 . 1 1 23 23 VAL CB C 23 35.418 35.418 33.265 2.153 25636 1928 1 7 . 1 1 23 23 VAL H H 23 9.417 9.417 8.825 0.592 25636 1929 1 7 . 1 1 24 24 ARG N N 24 129.194 129.194 126.732 2.462 25636 1930 1 7 . 1 1 24 24 ARG HA H 24 3.885 3.885 4.259 -0.374 25636 1931 1 7 . 1 1 24 24 ARG CA C 24 56.784 56.784 56.203 0.581 25636 1932 1 7 . 1 1 24 24 ARG CB C 24 30.178 30.178 30.820 -0.641 25636 1933 1 7 . 1 1 24 24 ARG H H 24 8.892 8.892 8.727 0.165 25636 1934 1 7 . 1 1 25 25 ILE N N 25 128.158 128.158 123.362 4.796 25636 1935 1 7 . 1 1 25 25 ILE HA H 25 3.655 3.655 3.978 -0.323 25636 1936 1 7 . 1 1 25 25 ILE CA C 25 64.879 64.879 61.242 3.637 25636 1937 1 7 . 1 1 25 25 ILE CB C 25 37.154 37.154 35.226 1.928 25636 1938 1 7 . 1 1 25 25 ILE H H 25 8.312 8.312 8.243 0.069 25636 1939 1 7 . 1 1 26 26 GLY N N 26 115.464 115.464 110.694 4.770 25636 1940 1 7 . 1 1 26 26 GLY CA C 26 44.352 44.352 45.356 -1.004 25636 1941 1 7 . 1 1 26 26 GLY H H 26 9.389 9.389 8.242 1.147 25636 1942 1 7 . 1 1 27 27 THR N N 27 111.341 111.341 114.944 -3.603 25636 1943 1 7 . 1 1 27 27 THR HA H 27 4.926 4.926 4.572 0.354 25636 1944 1 7 . 1 1 27 27 THR CA C 27 60.299 60.299 60.837 -0.539 25636 1945 1 7 . 1 1 27 27 THR CB C 27 72.194 72.194 70.445 1.749 25636 1946 1 7 . 1 1 27 27 THR H H 27 7.877 7.877 7.583 0.294 25636 1947 1 7 . 1 1 28 28 THR N N 28 108.952 108.952 115.553 -6.601 25636 1948 1 7 . 1 1 28 28 THR HA H 28 5.353 5.353 4.520 0.833 25636 1949 1 7 . 1 1 28 28 THR CA C 28 59.143 59.143 61.379 -2.236 25636 1950 1 7 . 1 1 28 28 THR CB C 28 71.706 71.706 69.562 2.144 25636 1951 1 7 . 1 1 28 28 THR H H 28 7.732 7.732 8.230 -0.498 25636 1952 1 7 . 1 1 29 29 ALA N N 29 122.383 122.383 129.573 -7.190 25636 1953 1 7 . 1 1 29 29 ALA HA H 29 4.621 4.621 4.706 -0.085 25636 1954 1 7 . 1 1 29 29 ALA CA C 29 51.796 51.796 51.225 0.571 25636 1955 1 7 . 1 1 29 29 ALA CB C 29 24.556 24.556 21.589 2.967 25636 1956 1 7 . 1 1 29 29 ALA H H 29 8.634 8.634 8.478 0.156 25636 1957 1 7 . 1 1 30 30 THR N N 30 115.881 115.881 113.839 2.042 25636 1958 1 7 . 1 1 30 30 THR HA H 30 4.885 4.885 4.988 -0.103 25636 1959 1 7 . 1 1 30 30 THR CA C 30 62.300 62.300 61.458 0.842 25636 1960 1 7 . 1 1 30 30 THR CB C 30 69.265 69.265 70.412 -1.147 25636 1961 1 7 . 1 1 30 30 THR H H 30 8.317 8.317 8.092 0.225 25636 1962 1 7 . 1 1 31 31 ILE N N 31 126.005 126.005 126.821 -0.816 25636 1963 1 7 . 1 1 31 31 ILE HA H 31 4.388 4.388 4.385 0.003 25636 1964 1 7 . 1 1 31 31 ILE CA C 31 59.562 59.562 60.337 -0.775 25636 1965 1 7 . 1 1 31 31 ILE CB C 31 40.634 40.634 41.263 -0.629 25636 1966 1 7 . 1 1 31 31 ILE H H 31 9.166 9.166 8.535 0.631 25636 1967 1 7 . 1 1 32 32 THR N N 32 120.162 120.162 121.679 -1.517 25636 1968 1 7 . 1 1 32 32 THR HA H 32 5.300 5.300 4.788 0.512 25636 1969 1 7 . 1 1 32 32 THR CA C 32 60.885 60.885 60.722 0.163 25636 1970 1 7 . 1 1 32 32 THR CB C 32 69.867 69.867 69.630 0.236 25636 1971 1 7 . 1 1 32 32 THR H H 32 8.441 8.441 8.525 -0.084 25636 1972 1 7 . 1 1 33 33 ALA N N 33 127.525 127.525 130.129 -2.604 25636 1973 1 7 . 1 1 33 33 ALA HA H 33 4.644 4.644 4.803 -0.159 25636 1974 1 7 . 1 1 33 33 ALA CA C 33 51.975 51.975 52.052 -0.077 25636 1975 1 7 . 1 1 33 33 ALA CB C 33 22.897 22.897 21.295 1.602 25636 1976 1 7 . 1 1 33 33 ALA H H 33 9.130 9.130 8.843 0.287 25636 1977 1 7 . 1 1 34 34 ARG N N 34 118.330 118.330 121.738 -3.408 25636 1978 1 7 . 1 1 34 34 ARG HA H 34 3.814 3.814 4.030 -0.216 25636 1979 1 7 . 1 1 34 34 ARG CA C 34 57.028 57.028 56.739 0.289 25636 1980 1 7 . 1 1 34 34 ARG CB C 34 27.337 27.337 28.355 -1.018 25636 1981 1 7 . 1 1 34 34 ARG H H 34 9.232 9.232 9.188 0.044 25636 1982 1 7 . 1 1 35 35 GLY N N 35 104.002 104.002 105.686 -1.684 25636 1983 1 7 . 1 1 35 35 GLY CA C 35 45.368 45.368 45.036 0.332 25636 1984 1 7 . 1 1 35 35 GLY H H 35 8.642 8.642 8.526 0.116 25636 1985 1 7 . 1 1 36 36 HIS N N 36 119.875 119.875 117.368 2.507 25636 1986 1 7 . 1 1 36 36 HIS HA H 36 4.703 4.703 4.665 0.038 25636 1987 1 7 . 1 1 36 36 HIS CA C 36 54.376 54.376 55.289 -0.913 25636 1988 1 7 . 1 1 36 36 HIS CB C 36 32.880 32.880 33.096 -0.216 25636 1989 1 7 . 1 1 36 36 HIS H H 36 8.188 8.188 7.367 0.821 25636 1990 1 7 . 1 1 37 37 GLU N N 37 119.578 119.578 124.357 -4.779 25636 1991 1 7 . 1 1 37 37 GLU HA H 37 5.018 5.018 4.559 0.459 25636 1992 1 7 . 1 1 37 37 GLU CA C 37 55.092 55.092 55.625 -0.533 25636 1993 1 7 . 1 1 37 37 GLU CB C 37 31.863 31.863 30.764 1.099 25636 1994 1 7 . 1 1 37 37 GLU H H 37 7.991 7.991 8.601 -0.610 25636 1995 1 7 . 1 1 38 38 PHE N N 38 121.593 121.593 122.770 -1.177 25636 1996 1 7 . 1 1 38 38 PHE HA H 38 4.755 4.755 4.746 0.009 25636 1997 1 7 . 1 1 38 38 PHE CA C 38 56.442 56.442 56.294 0.148 25636 1998 1 7 . 1 1 38 38 PHE CB C 38 41.569 41.569 41.432 0.137 25636 1999 1 7 . 1 1 38 38 PHE H H 38 9.149 9.149 8.810 0.339 25636 2000 1 7 . 1 1 39 39 GLU N N 39 125.332 125.332 126.709 -1.377 25636 2001 1 7 . 1 1 39 39 GLU HA H 39 5.186 5.186 4.710 0.476 25636 2002 1 7 . 1 1 39 39 GLU CA C 39 55.531 55.531 55.158 0.373 25636 2003 1 7 . 1 1 39 39 GLU CB C 39 30.309 30.309 30.345 -0.036 25636 2004 1 7 . 1 1 39 39 GLU H H 39 8.539 8.539 9.000 -0.461 25636 2005 1 7 . 1 1 40 40 VAL N N 40 120.623 120.623 121.819 -1.196 25636 2006 1 7 . 1 1 40 40 VAL HA H 40 5.396 5.396 4.864 0.532 25636 2007 1 7 . 1 1 40 40 VAL CA C 40 58.517 58.517 58.668 -0.151 25636 2008 1 7 . 1 1 40 40 VAL CB C 40 34.287 34.287 34.098 0.189 25636 2009 1 7 . 1 1 40 40 VAL H H 40 8.773 8.773 7.554 1.219 25636 2010 1 7 . 1 1 41 41 GLU N N 41 118.742 118.742 121.726 -2.984 25636 2011 1 7 . 1 1 41 41 GLU HA H 41 4.553 4.553 4.510 0.043 25636 2012 1 7 . 1 1 41 41 GLU CA C 41 54.359 54.359 55.112 -0.753 25636 2013 1 7 . 1 1 41 41 GLU CB C 41 32.408 32.408 31.727 0.681 25636 2014 1 7 . 1 1 41 41 GLU H H 41 7.973 7.973 8.559 -0.586 25636 2015 1 7 . 1 1 42 42 ALA N N 42 132.540 132.540 128.507 4.033 25636 2016 1 7 . 1 1 42 42 ALA HA H 42 4.662 4.662 4.597 0.065 25636 2017 1 7 . 1 1 42 42 ALA CA C 42 50.446 50.446 51.343 -0.897 25636 2018 1 7 . 1 1 42 42 ALA CB C 42 18.015 18.015 19.901 -1.885 25636 2019 1 7 . 1 1 42 42 ALA H H 42 8.181 8.181 8.481 -0.300 25636 2020 1 7 . 1 1 43 43 LYS N N 43 125.936 125.936 122.344 3.592 25636 2021 1 7 . 1 1 43 43 LYS HA H 43 3.955 3.955 4.464 -0.509 25636 2022 1 7 . 1 1 43 43 LYS CA C 43 59.648 59.648 56.316 3.332 25636 2023 1 7 . 1 1 43 43 LYS CB C 43 34.670 34.670 33.603 1.067 25636 2024 1 7 . 1 1 43 43 LYS H H 43 9.029 9.029 8.669 0.360 25636 2025 1 7 . 1 1 44 44 ASP N N 44 110.443 110.443 116.989 -6.546 25636 2026 1 7 . 1 1 44 44 ASP HA H 44 4.338 4.338 4.600 -0.262 25636 2027 1 7 . 1 1 44 44 ASP CA C 44 53.074 53.074 53.764 -0.690 25636 2028 1 7 . 1 1 44 44 ASP CB C 44 41.337 41.337 42.248 -0.911 25636 2029 1 7 . 1 1 44 44 ASP H H 44 7.463 7.463 7.756 -0.293 25636 2030 1 7 . 1 1 45 45 GLN N N 45 112.575 112.575 118.482 -5.907 25636 2031 1 7 . 1 1 45 45 GLN HA H 45 4.064 4.064 3.966 0.098 25636 2032 1 7 . 1 1 45 45 GLN CA C 45 57.663 57.663 58.052 -0.389 25636 2033 1 7 . 1 1 45 45 GLN CB C 45 28.047 28.047 29.032 -0.985 25636 2034 1 7 . 1 1 45 45 GLN H H 45 8.370 8.370 8.540 -0.170 25636 2035 1 7 . 1 1 46 46 ASN N N 46 117.659 117.659 118.926 -1.267 25636 2036 1 7 . 1 1 46 46 ASN HA H 46 4.536 4.536 4.735 -0.199 25636 2037 1 7 . 1 1 46 46 ASN CA C 46 55.271 55.271 52.676 2.595 25636 2038 1 7 . 1 1 46 46 ASN CB C 46 38.046 38.046 37.830 0.216 25636 2039 1 7 . 1 1 46 46 ASN H H 46 8.704 8.704 8.282 0.422 25636 2040 1 7 . 1 1 47 47 CYS N N 47 112.520 112.520 122.422 -9.902 25636 2041 1 7 . 1 1 47 47 CYS HA H 47 4.397 4.397 4.637 -0.240 25636 2042 1 7 . 1 1 47 47 CYS CA C 47 55.075 55.075 58.578 -3.503 25636 2043 1 7 . 1 1 47 47 CYS CB C 47 36.199 36.199 28.839 7.360 25636 2044 1 7 . 1 1 47 47 CYS H H 47 8.486 8.486 8.088 0.398 25636 2045 1 7 . 1 1 48 48 LYS N N 48 116.117 116.117 124.354 -8.237 25636 2046 1 7 . 1 1 48 48 LYS HA H 48 4.130 4.130 4.536 -0.406 25636 2047 1 7 . 1 1 48 48 LYS CA C 48 56.865 56.865 55.088 1.777 25636 2048 1 7 . 1 1 48 48 LYS CB C 48 32.180 32.180 34.636 -2.456 25636 2049 1 7 . 1 1 48 48 LYS H H 48 7.970 7.970 8.394 -0.424 25636 2050 1 7 . 1 1 49 49 VAL N N 49 126.872 126.872 120.598 6.274 25636 2051 1 7 . 1 1 49 49 VAL HA H 49 3.632 3.632 4.031 -0.399 25636 2052 1 7 . 1 1 49 49 VAL CA C 49 64.782 64.782 63.381 1.401 25636 2053 1 7 . 1 1 49 49 VAL CB C 49 30.317 30.317 31.426 -1.109 25636 2054 1 7 . 1 1 49 49 VAL H H 49 8.951 8.951 8.501 0.450 25636 2055 1 7 . 1 1 50 50 ILE N N 50 132.487 132.487 126.335 6.152 25636 2056 1 7 . 1 1 50 50 ILE HA H 50 4.135 4.135 4.365 -0.230 25636 2057 1 7 . 1 1 50 50 ILE CA C 50 60.535 60.535 60.349 0.186 25636 2058 1 7 . 1 1 50 50 ILE CB C 50 41.659 41.659 42.088 -0.429 25636 2059 1 7 . 1 1 50 50 ILE H H 50 8.666 8.666 7.602 1.064 25636 2060 1 7 . 1 1 51 51 LEU N N 51 125.179 125.179 124.364 0.815 25636 2061 1 7 . 1 1 51 51 LEU HA H 51 5.250 5.250 5.295 -0.045 25636 2062 1 7 . 1 1 51 51 LEU CA C 51 53.245 53.245 53.478 -0.233 25636 2063 1 7 . 1 1 51 51 LEU CB C 51 41.146 41.146 44.316 -3.170 25636 2064 1 7 . 1 1 51 51 LEU H H 51 8.789 8.789 8.152 0.637 25636 2065 1 7 . 1 1 52 52 THR N N 52 115.511 115.511 115.587 -0.076 25636 2066 1 7 . 1 1 52 52 THR HA H 52 4.079 4.079 4.320 -0.241 25636 2067 1 7 . 1 1 52 52 THR CA C 52 63.822 63.822 62.872 0.950 25636 2068 1 7 . 1 1 52 52 THR CB C 52 68.335 68.335 68.830 -0.495 25636 2069 1 7 . 1 1 52 52 THR H H 52 8.528 8.528 8.381 0.147 25636 2070 1 7 . 1 1 53 53 ASN N N 53 116.941 116.941 120.283 -3.342 25636 2071 1 7 . 1 1 53 53 ASN HA H 53 4.514 4.514 4.823 -0.309 25636 2072 1 7 . 1 1 53 53 ASN CA C 53 52.740 52.740 51.960 0.780 25636 2073 1 7 . 1 1 53 53 ASN CB C 53 37.314 37.314 38.097 -0.783 25636 2074 1 7 . 1 1 53 53 ASN H H 53 8.149 8.149 7.963 0.186 25636 2075 1 7 . 1 1 54 54 GLY N N 54 106.580 106.580 106.077 0.503 25636 2076 1 7 . 1 1 54 54 GLY CA C 54 45.735 45.735 46.166 -0.431 25636 2077 1 7 . 1 1 54 54 GLY H H 54 7.949 7.949 8.406 -0.457 25636 2078 1 7 . 1 1 55 55 LYS N N 55 120.679 120.679 118.300 2.379 25636 2079 1 7 . 1 1 55 55 LYS HA H 55 4.251 4.251 4.599 -0.348 25636 2080 1 7 . 1 1 55 55 LYS CA C 55 55.848 55.848 54.826 1.022 25636 2081 1 7 . 1 1 55 55 LYS CB C 55 32.595 32.595 35.864 -3.269 25636 2082 1 7 . 1 1 55 55 LYS H H 55 7.806 7.806 7.826 -0.020 25636 2083 1 7 . 1 1 56 56 GLN N N 56 119.471 119.471 118.609 0.862 25636 2084 1 7 . 1 1 56 56 GLN HA H 56 4.114 4.114 4.640 -0.526 25636 2085 1 7 . 1 1 56 56 GLN CA C 56 55.865 55.865 54.062 1.803 25636 2086 1 7 . 1 1 56 56 GLN CB C 56 29.228 29.228 31.195 -1.967 25636 2087 1 7 . 1 1 56 56 GLN H H 56 8.241 8.241 8.409 -0.168 25636 2088 1 7 . 1 1 57 57 ALA N N 57 129.241 129.241 125.133 4.108 25636 2089 1 7 . 1 1 57 57 ALA HA H 57 4.136 4.136 4.045 0.091 25636 2090 1 7 . 1 1 57 57 ALA CA C 57 50.210 50.210 50.816 -0.606 25636 2091 1 7 . 1 1 57 57 ALA CB C 57 18.056 18.056 17.472 0.584 25636 2092 1 7 . 1 1 57 57 ALA H H 57 8.667 8.667 8.333 0.334 25636 2093 1 7 . 1 1 58 58 PRO HA H 58 4.181 4.181 4.283 -0.102 25636 2094 1 7 . 1 1 58 58 PRO CA C 58 62.162 62.162 61.734 0.428 25636 2095 1 7 . 1 1 58 58 PRO CB C 58 31.226 31.226 31.737 -0.511 25636 2096 1 7 . 1 1 59 59 ASP N N 59 120.839 120.839 117.148 3.691 25636 2097 1 7 . 1 1 59 59 ASP HA H 59 4.151 4.151 4.504 -0.353 25636 2098 1 7 . 1 1 59 59 ASP CA C 59 56.483 56.483 55.381 1.102 25636 2099 1 7 . 1 1 59 59 ASP CB C 59 40.568 40.568 40.874 -0.306 25636 2100 1 7 . 1 1 59 59 ASP H H 59 8.576 8.576 8.531 0.045 25636 2101 1 7 . 1 1 60 60 TRP N N 60 114.095 114.095 117.262 -3.167 25636 2102 1 7 . 1 1 60 60 TRP HA H 60 4.460 4.460 4.822 -0.362 25636 2103 1 7 . 1 1 60 60 TRP CA C 60 54.579 54.579 55.112 -0.533 25636 2104 1 7 . 1 1 60 60 TRP CB C 60 29.366 29.366 28.738 0.628 25636 2105 1 7 . 1 1 60 60 TRP H H 60 6.701 6.701 7.178 -0.477 25636 2106 1 7 . 1 1 61 61 LEU N N 61 123.142 123.142 121.473 1.669 25636 2107 1 7 . 1 1 61 61 LEU HA H 61 4.743 4.743 4.291 0.452 25636 2108 1 7 . 1 1 61 61 LEU CA C 61 54.839 54.839 53.159 1.680 25636 2109 1 7 . 1 1 61 61 LEU CB C 61 42.083 42.083 43.235 -1.152 25636 2110 1 7 . 1 1 61 61 LEU H H 61 6.541 6.541 6.930 -0.389 25636 2111 1 7 . 1 1 62 62 ALA N N 62 131.106 131.106 125.856 5.250 25636 2112 1 7 . 1 1 62 62 ALA HA H 62 4.644 4.644 4.513 0.131 25636 2113 1 7 . 1 1 62 62 ALA CA C 62 50.478 50.478 51.101 -0.623 25636 2114 1 7 . 1 1 62 62 ALA CB C 62 23.434 23.434 21.735 1.699 25636 2115 1 7 . 1 1 62 62 ALA H H 62 8.993 8.993 7.678 1.315 25636 2116 1 7 . 1 1 63 63 ALA N N 63 118.796 118.796 121.493 -2.697 25636 2117 1 7 . 1 1 63 63 ALA HA H 63 5.633 5.633 4.844 0.789 25636 2118 1 7 . 1 1 63 63 ALA CA C 63 51.143 51.143 51.987 -0.844 25636 2119 1 7 . 1 1 63 63 ALA CB C 63 22.490 22.490 21.055 1.435 25636 2120 1 7 . 1 1 63 63 ALA H H 63 8.139 8.139 8.260 -0.121 25636 2121 1 7 . 1 1 64 64 GLU N N 64 116.715 116.715 123.914 -7.199 25636 2122 1 7 . 1 1 64 64 GLU HA H 64 4.902 4.902 4.953 -0.051 25636 2123 1 7 . 1 1 64 64 GLU CA C 64 53.009 53.009 53.340 -0.331 25636 2124 1 7 . 1 1 64 64 GLU CB C 64 32.619 32.619 30.834 1.785 25636 2125 1 7 . 1 1 64 64 GLU H H 64 8.563 8.563 8.150 0.413 25636 2126 1 7 . 1 1 65 65 PRO HA H 65 5.486 5.486 4.425 1.061 25636 2127 1 7 . 1 1 65 65 PRO CA C 65 62.878 62.878 63.196 -0.318 25636 2128 1 7 . 1 1 65 65 PRO CB C 65 32.606 32.606 32.448 0.158 25636 2129 1 8 . 1 1 2 2 PRO HA H 2 4.386 4.386 4.531 -0.145 25636 2130 1 8 . 1 1 2 2 PRO CA C 2 62.756 62.756 62.170 0.586 25636 2131 1 8 . 1 1 2 2 PRO CB C 2 32.034 32.034 32.549 -0.515 25636 2132 1 8 . 1 1 3 3 ALA N N 3 124.343 124.343 123.549 0.794 25636 2133 1 8 . 1 1 3 3 ALA HA H 3 4.306 4.306 4.499 -0.193 25636 2134 1 8 . 1 1 3 3 ALA CA C 3 52.756 52.756 51.904 0.852 25636 2135 1 8 . 1 1 3 3 ALA CB C 3 19.935 19.935 19.483 0.452 25636 2136 1 8 . 1 1 3 3 ALA H H 3 8.192 8.192 8.314 -0.122 25636 2137 1 8 . 1 1 4 4 ARG N N 4 119.928 119.928 123.100 -3.172 25636 2138 1 8 . 1 1 4 4 ARG HA H 4 4.323 4.323 4.867 -0.544 25636 2139 1 8 . 1 1 4 4 ARG CA C 4 56.231 56.231 55.000 1.231 25636 2140 1 8 . 1 1 4 4 ARG CB C 4 33.629 33.629 31.210 2.418 25636 2141 1 8 . 1 1 4 4 ARG H H 4 9.195 9.195 8.354 0.841 25636 2142 1 8 . 1 1 5 5 PHE N N 5 119.084 119.084 122.584 -3.500 25636 2143 1 8 . 1 1 5 5 PHE HA H 5 5.321 5.321 4.831 0.490 25636 2144 1 8 . 1 1 5 5 PHE CA C 5 56.914 56.914 57.236 -0.322 25636 2145 1 8 . 1 1 5 5 PHE CB C 5 43.554 43.554 43.927 -0.373 25636 2146 1 8 . 1 1 5 5 PHE H H 5 9.242 9.242 7.995 1.247 25636 2147 1 8 . 1 1 6 6 CYS N N 6 116.173 116.173 119.536 -3.363 25636 2148 1 8 . 1 1 6 6 CYS HA H 6 5.281 5.281 4.882 0.399 25636 2149 1 8 . 1 1 6 6 CYS CA C 6 54.262 54.262 57.915 -3.653 25636 2150 1 8 . 1 1 6 6 CYS CB C 6 39.730 39.730 28.238 11.492 25636 2151 1 8 . 1 1 6 6 CYS H H 6 9.204 9.204 8.671 0.533 25636 2152 1 8 . 1 1 7 7 VAL N N 7 126.228 126.228 123.226 3.002 25636 2153 1 8 . 1 1 7 7 VAL HA H 7 4.314 4.314 4.126 0.188 25636 2154 1 8 . 1 1 7 7 VAL CA C 7 60.665 60.665 61.010 -0.345 25636 2155 1 8 . 1 1 7 7 VAL CB C 7 32.359 32.359 33.632 -1.273 25636 2156 1 8 . 1 1 7 7 VAL H H 7 9.474 9.474 8.351 1.123 25636 2157 1 8 . 1 1 8 8 TYR N N 8 123.478 123.478 127.480 -4.002 25636 2158 1 8 . 1 1 8 8 TYR HA H 8 5.120 5.120 4.563 0.557 25636 2159 1 8 . 1 1 8 8 TYR CA C 8 57.174 57.174 57.064 0.110 25636 2160 1 8 . 1 1 8 8 TYR CB C 8 40.918 40.918 40.893 0.025 25636 2161 1 8 . 1 1 8 8 TYR H H 8 8.195 8.195 7.789 0.406 25636 2162 1 8 . 1 1 9 9 TYR N N 9 119.745 119.745 122.152 -2.407 25636 2163 1 8 . 1 1 9 9 TYR HA H 9 5.209 5.209 4.768 0.441 25636 2164 1 8 . 1 1 9 9 TYR CA C 9 56.930 56.930 56.944 -0.014 25636 2165 1 8 . 1 1 9 9 TYR CB C 9 44.026 44.026 42.618 1.408 25636 2166 1 8 . 1 1 9 9 TYR H H 9 9.410 9.410 7.856 1.554 25636 2167 1 8 . 1 1 10 10 ASP N N 10 118.515 118.515 118.701 -0.186 25636 2168 1 8 . 1 1 10 10 ASP HA H 10 5.203 5.203 5.012 0.191 25636 2169 1 8 . 1 1 10 10 ASP CA C 10 52.879 52.879 52.736 0.143 25636 2170 1 8 . 1 1 10 10 ASP CB C 10 41.522 41.522 45.170 -3.648 25636 2171 1 8 . 1 1 10 10 ASP H H 10 8.948 8.948 8.340 0.608 25636 2172 1 8 . 1 1 11 11 GLY N N 11 114.853 114.853 109.012 5.841 25636 2173 1 8 . 1 1 11 11 GLY CA C 11 44.213 44.213 46.736 -2.523 25636 2174 1 8 . 1 1 11 11 GLY H H 11 9.014 9.014 9.015 -0.002 25636 2175 1 8 . 1 1 12 12 HIS N N 12 114.423 114.423 121.918 -7.495 25636 2176 1 8 . 1 1 12 12 HIS HA H 12 4.415 4.415 4.440 -0.025 25636 2177 1 8 . 1 1 12 12 HIS CA C 12 56.572 56.572 55.053 1.519 25636 2178 1 8 . 1 1 12 12 HIS CB C 12 32.017 32.017 32.681 -0.664 25636 2179 1 8 . 1 1 12 12 HIS H H 12 8.133 8.133 8.085 0.048 25636 2180 1 8 . 1 1 13 13 LEU N N 13 123.763 123.763 124.926 -1.163 25636 2181 1 8 . 1 1 13 13 LEU HA H 13 4.777 4.777 4.260 0.517 25636 2182 1 8 . 1 1 13 13 LEU CA C 13 52.049 52.049 54.101 -2.052 25636 2183 1 8 . 1 1 13 13 LEU CB C 13 41.569 41.569 42.537 -0.968 25636 2184 1 8 . 1 1 13 13 LEU H H 13 8.385 8.385 8.640 -0.255 25636 2185 1 8 . 1 1 14 14 PRO HA H 14 3.707 3.707 4.320 -0.613 25636 2186 1 8 . 1 1 14 14 PRO CA C 14 65.579 65.579 64.127 1.452 25636 2187 1 8 . 1 1 14 14 PRO CB C 14 31.895 31.895 31.892 0.003 25636 2188 1 8 . 1 1 15 15 ALA N N 15 115.114 115.114 120.954 -5.840 25636 2189 1 8 . 1 1 15 15 ALA HA H 15 4.149 4.149 4.231 -0.082 25636 2190 1 8 . 1 1 15 15 ALA CA C 15 54.628 54.628 53.939 0.689 25636 2191 1 8 . 1 1 15 15 ALA CB C 15 19.577 19.577 19.196 0.381 25636 2192 1 8 . 1 1 15 15 ALA H H 15 8.162 8.162 8.045 0.117 25636 2193 1 8 . 1 1 16 16 THR N N 16 102.057 102.057 111.812 -9.755 25636 2194 1 8 . 1 1 16 16 THR HA H 16 4.553 4.553 4.328 0.225 25636 2195 1 8 . 1 1 16 16 THR CA C 16 60.331 60.331 61.162 -0.831 25636 2196 1 8 . 1 1 16 16 THR CB C 16 70.574 70.574 69.344 1.230 25636 2197 1 8 . 1 1 16 16 THR H H 16 7.153 7.153 7.611 -0.458 25636 2198 1 8 . 1 1 17 17 ARG N N 17 122.509 122.509 121.589 0.920 25636 2199 1 8 . 1 1 17 17 ARG HA H 17 4.716 4.716 4.224 0.492 25636 2200 1 8 . 1 1 17 17 ARG CA C 17 56.296 56.296 57.290 -0.994 25636 2201 1 8 . 1 1 17 17 ARG CB C 17 30.021 30.021 30.581 -0.560 25636 2202 1 8 . 1 1 17 17 ARG H H 17 7.901 7.901 7.587 0.314 25636 2203 1 8 . 1 1 18 18 VAL N N 18 122.027 122.027 120.482 1.545 25636 2204 1 8 . 1 1 18 18 VAL HA H 18 4.293 4.293 4.299 -0.006 25636 2205 1 8 . 1 1 18 18 VAL CA C 18 61.462 61.462 61.719 -0.257 25636 2206 1 8 . 1 1 18 18 VAL CB C 18 35.247 35.247 34.902 0.345 25636 2207 1 8 . 1 1 18 18 VAL H H 18 8.568 8.568 8.623 -0.055 25636 2208 1 8 . 1 1 19 19 LEU N N 19 130.327 130.327 126.511 3.816 25636 2209 1 8 . 1 1 19 19 LEU HA H 19 3.718 3.718 4.348 -0.630 25636 2210 1 8 . 1 1 19 19 LEU CA C 19 57.467 57.467 55.185 2.282 25636 2211 1 8 . 1 1 19 19 LEU CB C 19 41.862 41.862 42.739 -0.877 25636 2212 1 8 . 1 1 19 19 LEU H H 19 8.670 8.670 8.507 0.163 25636 2213 1 8 . 1 1 20 20 LEU N N 20 126.389 126.389 127.976 -1.587 25636 2214 1 8 . 1 1 20 20 LEU HA H 20 4.588 4.588 4.317 0.271 25636 2215 1 8 . 1 1 20 20 LEU CA C 20 55.873 55.873 56.469 -0.596 25636 2216 1 8 . 1 1 20 20 LEU CB C 20 42.513 42.513 42.784 -0.271 25636 2217 1 8 . 1 1 20 20 LEU H H 20 9.236 9.236 8.382 0.854 25636 2218 1 8 . 1 1 21 21 MET N N 21 114.450 114.450 112.215 2.235 25636 2219 1 8 . 1 1 21 21 MET HA H 21 4.423 4.423 4.583 -0.160 25636 2220 1 8 . 1 1 21 21 MET CA C 21 56.214 56.214 54.886 1.328 25636 2221 1 8 . 1 1 21 21 MET CB C 21 36.964 36.964 36.137 0.827 25636 2222 1 8 . 1 1 21 21 MET H H 21 7.022 7.022 7.588 -0.566 25636 2223 1 8 . 1 1 22 22 TYR N N 22 123.123 123.123 120.578 2.545 25636 2224 1 8 . 1 1 22 22 TYR HA H 22 4.777 4.777 4.683 0.094 25636 2225 1 8 . 1 1 22 22 TYR CA C 22 57.988 57.988 57.713 0.275 25636 2226 1 8 . 1 1 22 22 TYR CB C 22 39.356 39.356 38.961 0.395 25636 2227 1 8 . 1 1 22 22 TYR H H 22 8.515 8.515 8.566 -0.051 25636 2228 1 8 . 1 1 23 23 VAL N N 23 123.811 123.811 125.098 -1.287 25636 2229 1 8 . 1 1 23 23 VAL HA H 23 4.371 4.371 4.355 0.016 25636 2230 1 8 . 1 1 23 23 VAL CA C 23 61.503 61.503 61.088 0.415 25636 2231 1 8 . 1 1 23 23 VAL CB C 23 35.418 35.418 31.603 3.815 25636 2232 1 8 . 1 1 23 23 VAL H H 23 9.417 9.417 9.030 0.387 25636 2233 1 8 . 1 1 24 24 ARG N N 24 129.194 129.194 127.894 1.300 25636 2234 1 8 . 1 1 24 24 ARG HA H 24 3.885 3.885 4.772 -0.887 25636 2235 1 8 . 1 1 24 24 ARG CA C 24 56.784 56.784 56.360 0.424 25636 2236 1 8 . 1 1 24 24 ARG CB C 24 30.178 30.178 30.872 -0.694 25636 2237 1 8 . 1 1 24 24 ARG H H 24 8.892 8.892 8.680 0.212 25636 2238 1 8 . 1 1 25 25 ILE N N 25 128.158 128.158 123.585 4.573 25636 2239 1 8 . 1 1 25 25 ILE HA H 25 3.655 3.655 4.050 -0.395 25636 2240 1 8 . 1 1 25 25 ILE CA C 25 64.879 64.879 61.303 3.576 25636 2241 1 8 . 1 1 25 25 ILE CB C 25 37.154 37.154 35.278 1.876 25636 2242 1 8 . 1 1 25 25 ILE H H 25 8.312 8.312 8.543 -0.231 25636 2243 1 8 . 1 1 26 26 GLY N N 26 115.464 115.464 110.731 4.733 25636 2244 1 8 . 1 1 26 26 GLY CA C 26 44.352 44.352 45.457 -1.105 25636 2245 1 8 . 1 1 26 26 GLY H H 26 9.389 9.389 8.342 1.047 25636 2246 1 8 . 1 1 27 27 THR N N 27 111.341 111.341 115.365 -4.024 25636 2247 1 8 . 1 1 27 27 THR HA H 27 4.926 4.926 4.639 0.287 25636 2248 1 8 . 1 1 27 27 THR CA C 27 60.299 60.299 61.115 -0.816 25636 2249 1 8 . 1 1 27 27 THR CB C 27 72.194 72.194 70.442 1.752 25636 2250 1 8 . 1 1 27 27 THR H H 27 7.877 7.877 7.683 0.194 25636 2251 1 8 . 1 1 28 28 THR N N 28 108.952 108.952 115.148 -6.196 25636 2252 1 8 . 1 1 28 28 THR HA H 28 5.353 5.353 4.519 0.834 25636 2253 1 8 . 1 1 28 28 THR CA C 28 59.143 59.143 61.306 -2.163 25636 2254 1 8 . 1 1 28 28 THR CB C 28 71.706 71.706 69.511 2.195 25636 2255 1 8 . 1 1 28 28 THR H H 28 7.732 7.732 8.216 -0.484 25636 2256 1 8 . 1 1 29 29 ALA N N 29 122.383 122.383 129.486 -7.103 25636 2257 1 8 . 1 1 29 29 ALA HA H 29 4.621 4.621 4.686 -0.065 25636 2258 1 8 . 1 1 29 29 ALA CA C 29 51.796 51.796 51.090 0.706 25636 2259 1 8 . 1 1 29 29 ALA CB C 29 24.556 24.556 21.641 2.915 25636 2260 1 8 . 1 1 29 29 ALA H H 29 8.634 8.634 8.457 0.177 25636 2261 1 8 . 1 1 30 30 THR N N 30 115.881 115.881 113.663 2.218 25636 2262 1 8 . 1 1 30 30 THR HA H 30 4.885 4.885 4.717 0.168 25636 2263 1 8 . 1 1 30 30 THR CA C 30 62.300 62.300 61.351 0.949 25636 2264 1 8 . 1 1 30 30 THR CB C 30 69.265 69.265 70.271 -1.006 25636 2265 1 8 . 1 1 30 30 THR H H 30 8.317 8.317 8.104 0.213 25636 2266 1 8 . 1 1 31 31 ILE N N 31 126.005 126.005 125.111 0.894 25636 2267 1 8 . 1 1 31 31 ILE HA H 31 4.388 4.388 4.399 -0.011 25636 2268 1 8 . 1 1 31 31 ILE CA C 31 59.562 59.562 60.279 -0.717 25636 2269 1 8 . 1 1 31 31 ILE CB C 31 40.634 40.634 40.670 -0.036 25636 2270 1 8 . 1 1 31 31 ILE H H 31 9.166 9.166 8.788 0.378 25636 2271 1 8 . 1 1 32 32 THR N N 32 120.162 120.162 124.859 -4.697 25636 2272 1 8 . 1 1 32 32 THR HA H 32 5.300 5.300 4.883 0.417 25636 2273 1 8 . 1 1 32 32 THR CA C 32 60.885 60.885 62.136 -1.252 25636 2274 1 8 . 1 1 32 32 THR CB C 32 69.867 69.867 69.148 0.719 25636 2275 1 8 . 1 1 32 32 THR H H 32 8.441 8.441 8.760 -0.319 25636 2276 1 8 . 1 1 33 33 ALA N N 33 127.525 127.525 128.720 -1.195 25636 2277 1 8 . 1 1 33 33 ALA HA H 33 4.644 4.644 4.761 -0.117 25636 2278 1 8 . 1 1 33 33 ALA CA C 33 51.975 51.975 52.131 -0.156 25636 2279 1 8 . 1 1 33 33 ALA CB C 33 22.897 22.897 21.933 0.964 25636 2280 1 8 . 1 1 33 33 ALA H H 33 9.130 9.130 9.169 -0.039 25636 2281 1 8 . 1 1 34 34 ARG N N 34 118.330 118.330 121.904 -3.574 25636 2282 1 8 . 1 1 34 34 ARG HA H 34 3.814 3.814 4.024 -0.210 25636 2283 1 8 . 1 1 34 34 ARG CA C 34 57.028 57.028 56.280 0.748 25636 2284 1 8 . 1 1 34 34 ARG CB C 34 27.337 27.337 28.850 -1.513 25636 2285 1 8 . 1 1 34 34 ARG H H 34 9.232 9.232 9.285 -0.053 25636 2286 1 8 . 1 1 35 35 GLY N N 35 104.002 104.002 102.467 1.535 25636 2287 1 8 . 1 1 35 35 GLY CA C 35 45.368 45.368 45.855 -0.487 25636 2288 1 8 . 1 1 35 35 GLY H H 35 8.642 8.642 8.814 -0.172 25636 2289 1 8 . 1 1 36 36 HIS N N 36 119.875 119.875 118.919 0.956 25636 2290 1 8 . 1 1 36 36 HIS HA H 36 4.703 4.703 4.663 0.040 25636 2291 1 8 . 1 1 36 36 HIS CA C 36 54.376 54.376 54.889 -0.513 25636 2292 1 8 . 1 1 36 36 HIS CB C 36 32.880 32.880 33.083 -0.203 25636 2293 1 8 . 1 1 36 36 HIS H H 36 8.188 8.188 7.762 0.426 25636 2294 1 8 . 1 1 37 37 GLU N N 37 119.578 119.578 123.372 -3.794 25636 2295 1 8 . 1 1 37 37 GLU HA H 37 5.018 5.018 4.816 0.202 25636 2296 1 8 . 1 1 37 37 GLU CA C 37 55.092 55.092 54.898 0.194 25636 2297 1 8 . 1 1 37 37 GLU CB C 37 31.863 31.863 30.554 1.309 25636 2298 1 8 . 1 1 37 37 GLU H H 37 7.991 7.991 8.394 -0.403 25636 2299 1 8 . 1 1 38 38 PHE N N 38 121.593 121.593 124.212 -2.619 25636 2300 1 8 . 1 1 38 38 PHE HA H 38 4.755 4.755 4.741 0.014 25636 2301 1 8 . 1 1 38 38 PHE CA C 38 56.442 56.442 56.418 0.024 25636 2302 1 8 . 1 1 38 38 PHE CB C 38 41.569 41.569 40.931 0.638 25636 2303 1 8 . 1 1 38 38 PHE H H 38 9.149 9.149 9.088 0.061 25636 2304 1 8 . 1 1 39 39 GLU N N 39 125.332 125.332 126.566 -1.234 25636 2305 1 8 . 1 1 39 39 GLU HA H 39 5.186 5.186 4.746 0.440 25636 2306 1 8 . 1 1 39 39 GLU CA C 39 55.531 55.531 55.027 0.504 25636 2307 1 8 . 1 1 39 39 GLU CB C 39 30.309 30.309 30.429 -0.120 25636 2308 1 8 . 1 1 39 39 GLU H H 39 8.539 8.539 9.024 -0.485 25636 2309 1 8 . 1 1 40 40 VAL N N 40 120.623 120.623 120.265 0.358 25636 2310 1 8 . 1 1 40 40 VAL HA H 40 5.396 5.396 4.785 0.611 25636 2311 1 8 . 1 1 40 40 VAL CA C 40 58.517 58.517 59.385 -0.868 25636 2312 1 8 . 1 1 40 40 VAL CB C 40 34.287 34.287 34.027 0.260 25636 2313 1 8 . 1 1 40 40 VAL H H 40 8.773 8.773 7.724 1.049 25636 2314 1 8 . 1 1 41 41 GLU N N 41 118.742 118.742 120.661 -1.919 25636 2315 1 8 . 1 1 41 41 GLU HA H 41 4.553 4.553 4.562 -0.009 25636 2316 1 8 . 1 1 41 41 GLU CA C 41 54.359 54.359 55.160 -0.801 25636 2317 1 8 . 1 1 41 41 GLU CB C 41 32.408 32.408 32.151 0.257 25636 2318 1 8 . 1 1 41 41 GLU H H 41 7.973 7.973 8.527 -0.554 25636 2319 1 8 . 1 1 42 42 ALA N N 42 132.540 132.540 128.723 3.817 25636 2320 1 8 . 1 1 42 42 ALA HA H 42 4.662 4.662 4.543 0.119 25636 2321 1 8 . 1 1 42 42 ALA CA C 42 50.446 50.446 51.739 -1.294 25636 2322 1 8 . 1 1 42 42 ALA CB C 42 18.015 18.015 19.641 -1.626 25636 2323 1 8 . 1 1 42 42 ALA H H 42 8.181 8.181 8.521 -0.340 25636 2324 1 8 . 1 1 43 43 LYS N N 43 125.936 125.936 122.843 3.093 25636 2325 1 8 . 1 1 43 43 LYS HA H 43 3.955 3.955 4.438 -0.483 25636 2326 1 8 . 1 1 43 43 LYS CA C 43 59.648 59.648 56.407 3.241 25636 2327 1 8 . 1 1 43 43 LYS CB C 43 34.670 34.670 33.592 1.078 25636 2328 1 8 . 1 1 43 43 LYS H H 43 9.029 9.029 8.703 0.326 25636 2329 1 8 . 1 1 44 44 ASP N N 44 110.443 110.443 114.347 -3.904 25636 2330 1 8 . 1 1 44 44 ASP HA H 44 4.338 4.338 4.662 -0.324 25636 2331 1 8 . 1 1 44 44 ASP CA C 44 53.074 53.074 53.910 -0.836 25636 2332 1 8 . 1 1 44 44 ASP CB C 44 41.337 41.337 42.812 -1.475 25636 2333 1 8 . 1 1 44 44 ASP H H 44 7.463 7.463 7.698 -0.235 25636 2334 1 8 . 1 1 45 45 GLN N N 45 112.575 112.575 117.875 -5.300 25636 2335 1 8 . 1 1 45 45 GLN HA H 45 4.064 4.064 3.949 0.115 25636 2336 1 8 . 1 1 45 45 GLN CA C 45 57.663 57.663 57.832 -0.169 25636 2337 1 8 . 1 1 45 45 GLN CB C 45 28.047 28.047 28.993 -0.946 25636 2338 1 8 . 1 1 45 45 GLN H H 45 8.370 8.370 8.302 0.068 25636 2339 1 8 . 1 1 46 46 ASN N N 46 117.659 117.659 118.690 -1.031 25636 2340 1 8 . 1 1 46 46 ASN HA H 46 4.536 4.536 4.702 -0.166 25636 2341 1 8 . 1 1 46 46 ASN CA C 46 55.271 55.271 52.746 2.525 25636 2342 1 8 . 1 1 46 46 ASN CB C 46 38.046 38.046 37.822 0.224 25636 2343 1 8 . 1 1 46 46 ASN H H 46 8.704 8.704 8.269 0.435 25636 2344 1 8 . 1 1 47 47 CYS N N 47 112.520 112.520 122.723 -10.203 25636 2345 1 8 . 1 1 47 47 CYS HA H 47 4.397 4.397 4.676 -0.279 25636 2346 1 8 . 1 1 47 47 CYS CA C 47 55.075 55.075 58.050 -2.975 25636 2347 1 8 . 1 1 47 47 CYS CB C 47 36.199 36.199 28.153 8.046 25636 2348 1 8 . 1 1 47 47 CYS H H 47 8.486 8.486 8.171 0.315 25636 2349 1 8 . 1 1 48 48 LYS N N 48 116.117 116.117 122.711 -6.594 25636 2350 1 8 . 1 1 48 48 LYS HA H 48 4.130 4.130 4.580 -0.450 25636 2351 1 8 . 1 1 48 48 LYS CA C 48 56.865 56.865 54.681 2.184 25636 2352 1 8 . 1 1 48 48 LYS CB C 48 32.180 32.180 34.843 -2.663 25636 2353 1 8 . 1 1 48 48 LYS H H 48 7.970 7.970 8.246 -0.276 25636 2354 1 8 . 1 1 49 49 VAL N N 49 126.872 126.872 119.341 7.531 25636 2355 1 8 . 1 1 49 49 VAL HA H 49 3.632 3.632 4.096 -0.465 25636 2356 1 8 . 1 1 49 49 VAL CA C 49 64.782 64.782 63.564 1.218 25636 2357 1 8 . 1 1 49 49 VAL CB C 49 30.317 30.317 31.505 -1.188 25636 2358 1 8 . 1 1 49 49 VAL H H 49 8.951 8.951 8.453 0.498 25636 2359 1 8 . 1 1 50 50 ILE N N 50 132.487 132.487 126.377 6.110 25636 2360 1 8 . 1 1 50 50 ILE HA H 50 4.135 4.135 4.368 -0.233 25636 2361 1 8 . 1 1 50 50 ILE CA C 50 60.535 60.535 60.129 0.406 25636 2362 1 8 . 1 1 50 50 ILE CB C 50 41.659 41.659 42.111 -0.452 25636 2363 1 8 . 1 1 50 50 ILE H H 50 8.666 8.666 7.606 1.060 25636 2364 1 8 . 1 1 51 51 LEU N N 51 125.179 125.179 123.627 1.552 25636 2365 1 8 . 1 1 51 51 LEU HA H 51 5.250 5.250 5.306 -0.056 25636 2366 1 8 . 1 1 51 51 LEU CA C 51 53.245 53.245 53.457 -0.212 25636 2367 1 8 . 1 1 51 51 LEU CB C 51 41.146 41.146 44.230 -3.084 25636 2368 1 8 . 1 1 51 51 LEU H H 51 8.789 8.789 8.230 0.558 25636 2369 1 8 . 1 1 52 52 THR N N 52 115.511 115.511 115.067 0.444 25636 2370 1 8 . 1 1 52 52 THR HA H 52 4.079 4.079 4.368 -0.289 25636 2371 1 8 . 1 1 52 52 THR CA C 52 63.822 63.822 62.961 0.861 25636 2372 1 8 . 1 1 52 52 THR CB C 52 68.335 68.335 69.018 -0.683 25636 2373 1 8 . 1 1 52 52 THR H H 52 8.528 8.528 8.644 -0.116 25636 2374 1 8 . 1 1 53 53 ASN N N 53 116.941 116.941 118.575 -1.634 25636 2375 1 8 . 1 1 53 53 ASN HA H 53 4.514 4.514 4.788 -0.274 25636 2376 1 8 . 1 1 53 53 ASN CA C 53 52.740 52.740 52.167 0.573 25636 2377 1 8 . 1 1 53 53 ASN CB C 53 37.314 37.314 36.982 0.332 25636 2378 1 8 . 1 1 53 53 ASN H H 53 8.149 8.149 8.000 0.149 25636 2379 1 8 . 1 1 54 54 GLY N N 54 106.580 106.580 106.654 -0.074 25636 2380 1 8 . 1 1 54 54 GLY CA C 54 45.735 45.735 45.716 0.019 25636 2381 1 8 . 1 1 54 54 GLY H H 54 7.949 7.949 8.372 -0.423 25636 2382 1 8 . 1 1 55 55 LYS N N 55 120.679 120.679 118.369 2.310 25636 2383 1 8 . 1 1 55 55 LYS HA H 55 4.251 4.251 4.609 -0.358 25636 2384 1 8 . 1 1 55 55 LYS CA C 55 55.848 55.848 54.714 1.134 25636 2385 1 8 . 1 1 55 55 LYS CB C 55 32.595 32.595 36.134 -3.539 25636 2386 1 8 . 1 1 55 55 LYS H H 55 7.806 7.806 7.862 -0.056 25636 2387 1 8 . 1 1 56 56 GLN N N 56 119.471 119.471 119.063 0.408 25636 2388 1 8 . 1 1 56 56 GLN HA H 56 4.114 4.114 4.658 -0.544 25636 2389 1 8 . 1 1 56 56 GLN CA C 56 55.865 55.865 54.120 1.745 25636 2390 1 8 . 1 1 56 56 GLN CB C 56 29.228 29.228 31.217 -1.989 25636 2391 1 8 . 1 1 56 56 GLN H H 56 8.241 8.241 8.471 -0.230 25636 2392 1 8 . 1 1 57 57 ALA N N 57 129.241 129.241 125.445 3.796 25636 2393 1 8 . 1 1 57 57 ALA HA H 57 4.136 4.136 4.123 0.013 25636 2394 1 8 . 1 1 57 57 ALA CA C 57 50.210 50.210 50.843 -0.633 25636 2395 1 8 . 1 1 57 57 ALA CB C 57 18.056 18.056 17.478 0.578 25636 2396 1 8 . 1 1 57 57 ALA H H 57 8.667 8.667 8.374 0.293 25636 2397 1 8 . 1 1 58 58 PRO HA H 58 4.181 4.181 4.376 -0.195 25636 2398 1 8 . 1 1 58 58 PRO CA C 58 62.162 62.162 61.878 0.284 25636 2399 1 8 . 1 1 58 58 PRO CB C 58 31.226 31.226 32.011 -0.785 25636 2400 1 8 . 1 1 59 59 ASP N N 59 120.839 120.839 117.588 3.251 25636 2401 1 8 . 1 1 59 59 ASP HA H 59 4.151 4.151 4.476 -0.325 25636 2402 1 8 . 1 1 59 59 ASP CA C 59 56.483 56.483 55.612 0.871 25636 2403 1 8 . 1 1 59 59 ASP CB C 59 40.568 40.568 40.815 -0.247 25636 2404 1 8 . 1 1 59 59 ASP H H 59 8.576 8.576 8.610 -0.034 25636 2405 1 8 . 1 1 60 60 TRP N N 60 114.095 114.095 117.488 -3.393 25636 2406 1 8 . 1 1 60 60 TRP HA H 60 4.460 4.460 4.729 -0.269 25636 2407 1 8 . 1 1 60 60 TRP CA C 60 54.579 54.579 55.579 -1.000 25636 2408 1 8 . 1 1 60 60 TRP CB C 60 29.366 29.366 28.921 0.445 25636 2409 1 8 . 1 1 60 60 TRP H H 60 6.701 6.701 7.499 -0.798 25636 2410 1 8 . 1 1 61 61 LEU N N 61 123.142 123.142 122.417 0.725 25636 2411 1 8 . 1 1 61 61 LEU HA H 61 4.743 4.743 4.052 0.691 25636 2412 1 8 . 1 1 61 61 LEU CA C 61 54.839 54.839 53.365 1.474 25636 2413 1 8 . 1 1 61 61 LEU CB C 61 42.083 42.083 42.077 0.006 25636 2414 1 8 . 1 1 61 61 LEU H H 61 6.541 6.541 6.889 -0.348 25636 2415 1 8 . 1 1 62 62 ALA N N 62 131.106 131.106 126.404 4.702 25636 2416 1 8 . 1 1 62 62 ALA HA H 62 4.644 4.644 4.497 0.146 25636 2417 1 8 . 1 1 62 62 ALA CA C 62 50.478 50.478 51.116 -0.638 25636 2418 1 8 . 1 1 62 62 ALA CB C 62 23.434 23.434 21.932 1.502 25636 2419 1 8 . 1 1 62 62 ALA H H 62 8.993 8.993 7.811 1.182 25636 2420 1 8 . 1 1 63 63 ALA N N 63 118.796 118.796 121.924 -3.128 25636 2421 1 8 . 1 1 63 63 ALA HA H 63 5.633 5.633 4.988 0.645 25636 2422 1 8 . 1 1 63 63 ALA CA C 63 51.143 51.143 51.903 -0.760 25636 2423 1 8 . 1 1 63 63 ALA CB C 63 22.490 22.490 21.426 1.064 25636 2424 1 8 . 1 1 63 63 ALA H H 63 8.139 8.139 8.220 -0.081 25636 2425 1 8 . 1 1 64 64 GLU N N 64 116.715 116.715 123.069 -6.354 25636 2426 1 8 . 1 1 64 64 GLU HA H 64 4.902 4.902 4.941 -0.039 25636 2427 1 8 . 1 1 64 64 GLU CA C 64 53.009 53.009 52.902 0.107 25636 2428 1 8 . 1 1 64 64 GLU CB C 64 32.619 32.619 31.923 0.696 25636 2429 1 8 . 1 1 64 64 GLU H H 64 8.563 8.563 8.156 0.407 25636 2430 1 8 . 1 1 65 65 PRO HA H 65 5.486 5.486 4.586 0.900 25636 2431 1 8 . 1 1 65 65 PRO CA C 65 62.878 62.878 63.200 -0.322 25636 2432 1 8 . 1 1 65 65 PRO CB C 65 32.606 32.606 32.960 -0.354 25636 2433 1 9 . 1 1 2 2 PRO HA H 2 4.386 4.386 4.544 -0.158 25636 2434 1 9 . 1 1 2 2 PRO CA C 2 62.756 62.756 62.157 0.599 25636 2435 1 9 . 1 1 2 2 PRO CB C 2 32.034 32.034 32.220 -0.186 25636 2436 1 9 . 1 1 3 3 ALA N N 3 124.343 124.343 121.558 2.785 25636 2437 1 9 . 1 1 3 3 ALA HA H 3 4.306 4.306 4.305 0.001 25636 2438 1 9 . 1 1 3 3 ALA CA C 3 52.756 52.756 52.410 0.346 25636 2439 1 9 . 1 1 3 3 ALA CB C 3 19.935 19.935 19.568 0.367 25636 2440 1 9 . 1 1 3 3 ALA H H 3 8.192 8.192 8.302 -0.110 25636 2441 1 9 . 1 1 4 4 ARG N N 4 119.928 119.928 120.765 -0.837 25636 2442 1 9 . 1 1 4 4 ARG HA H 4 4.323 4.323 4.762 -0.439 25636 2443 1 9 . 1 1 4 4 ARG CA C 4 56.231 56.231 55.424 0.807 25636 2444 1 9 . 1 1 4 4 ARG CB C 4 33.629 33.629 33.974 -0.345 25636 2445 1 9 . 1 1 4 4 ARG H H 4 9.195 9.195 8.591 0.604 25636 2446 1 9 . 1 1 5 5 PHE N N 5 119.084 119.084 118.120 0.964 25636 2447 1 9 . 1 1 5 5 PHE HA H 5 5.321 5.321 4.840 0.481 25636 2448 1 9 . 1 1 5 5 PHE CA C 5 56.914 56.914 56.621 0.293 25636 2449 1 9 . 1 1 5 5 PHE CB C 5 43.554 43.554 42.727 0.827 25636 2450 1 9 . 1 1 5 5 PHE H H 5 9.242 9.242 8.549 0.693 25636 2451 1 9 . 1 1 6 6 CYS N N 6 116.173 116.173 117.279 -1.106 25636 2452 1 9 . 1 1 6 6 CYS HA H 6 5.281 5.281 4.968 0.313 25636 2453 1 9 . 1 1 6 6 CYS CA C 6 54.262 54.262 58.324 -4.061 25636 2454 1 9 . 1 1 6 6 CYS CB C 6 39.730 39.730 30.877 8.853 25636 2455 1 9 . 1 1 6 6 CYS H H 6 9.204 9.204 8.444 0.760 25636 2456 1 9 . 1 1 7 7 VAL N N 7 126.228 126.228 116.866 9.362 25636 2457 1 9 . 1 1 7 7 VAL HA H 7 4.314 4.314 4.580 -0.266 25636 2458 1 9 . 1 1 7 7 VAL CA C 7 60.665 60.665 60.069 0.596 25636 2459 1 9 . 1 1 7 7 VAL CB C 7 32.359 32.359 34.542 -2.183 25636 2460 1 9 . 1 1 7 7 VAL H H 7 9.474 9.474 8.834 0.640 25636 2461 1 9 . 1 1 8 8 TYR N N 8 123.478 123.478 123.361 0.117 25636 2462 1 9 . 1 1 8 8 TYR HA H 8 5.120 5.120 4.765 0.355 25636 2463 1 9 . 1 1 8 8 TYR CA C 8 57.174 57.174 56.289 0.885 25636 2464 1 9 . 1 1 8 8 TYR CB C 8 40.918 40.918 41.879 -0.961 25636 2465 1 9 . 1 1 8 8 TYR H H 8 8.195 8.195 7.696 0.499 25636 2466 1 9 . 1 1 9 9 TYR N N 9 119.745 119.745 122.275 -2.530 25636 2467 1 9 . 1 1 9 9 TYR HA H 9 5.209 5.209 4.749 0.460 25636 2468 1 9 . 1 1 9 9 TYR CA C 9 56.930 56.930 56.831 0.099 25636 2469 1 9 . 1 1 9 9 TYR CB C 9 44.026 44.026 42.120 1.906 25636 2470 1 9 . 1 1 9 9 TYR H H 9 9.410 9.410 7.708 1.702 25636 2471 1 9 . 1 1 10 10 ASP N N 10 118.515 118.515 118.681 -0.166 25636 2472 1 9 . 1 1 10 10 ASP HA H 10 5.203 5.203 4.997 0.206 25636 2473 1 9 . 1 1 10 10 ASP CA C 10 52.879 52.879 52.811 0.068 25636 2474 1 9 . 1 1 10 10 ASP CB C 10 41.522 41.522 45.024 -3.502 25636 2475 1 9 . 1 1 10 10 ASP H H 10 8.948 8.948 8.403 0.545 25636 2476 1 9 . 1 1 11 11 GLY N N 11 114.853 114.853 108.738 6.115 25636 2477 1 9 . 1 1 11 11 GLY CA C 11 44.213 44.213 46.661 -2.448 25636 2478 1 9 . 1 1 11 11 GLY H H 11 9.014 9.014 8.670 0.344 25636 2479 1 9 . 1 1 12 12 HIS N N 12 114.423 114.423 121.972 -7.549 25636 2480 1 9 . 1 1 12 12 HIS HA H 12 4.415 4.415 4.437 -0.022 25636 2481 1 9 . 1 1 12 12 HIS CA C 12 56.572 56.572 55.069 1.503 25636 2482 1 9 . 1 1 12 12 HIS CB C 12 32.017 32.017 32.677 -0.660 25636 2483 1 9 . 1 1 12 12 HIS H H 12 8.133 8.133 8.066 0.067 25636 2484 1 9 . 1 1 13 13 LEU N N 13 123.763 123.763 124.941 -1.178 25636 2485 1 9 . 1 1 13 13 LEU HA H 13 4.777 4.777 4.260 0.517 25636 2486 1 9 . 1 1 13 13 LEU CA C 13 52.049 52.049 54.120 -2.071 25636 2487 1 9 . 1 1 13 13 LEU CB C 13 41.569 41.569 42.536 -0.967 25636 2488 1 9 . 1 1 13 13 LEU H H 13 8.385 8.385 8.636 -0.251 25636 2489 1 9 . 1 1 14 14 PRO HA H 14 3.707 3.707 4.313 -0.606 25636 2490 1 9 . 1 1 14 14 PRO CA C 14 65.579 65.579 64.223 1.356 25636 2491 1 9 . 1 1 14 14 PRO CB C 14 31.895 31.895 31.958 -0.063 25636 2492 1 9 . 1 1 15 15 ALA N N 15 115.114 115.114 122.101 -6.987 25636 2493 1 9 . 1 1 15 15 ALA HA H 15 4.149 4.149 4.274 -0.125 25636 2494 1 9 . 1 1 15 15 ALA CA C 15 54.628 54.628 54.274 0.354 25636 2495 1 9 . 1 1 15 15 ALA CB C 15 19.577 19.577 18.974 0.603 25636 2496 1 9 . 1 1 15 15 ALA H H 15 8.162 8.162 8.087 0.075 25636 2497 1 9 . 1 1 16 16 THR N N 16 102.057 102.057 112.154 -10.097 25636 2498 1 9 . 1 1 16 16 THR HA H 16 4.553 4.553 4.432 0.121 25636 2499 1 9 . 1 1 16 16 THR CA C 16 60.331 60.331 60.821 -0.490 25636 2500 1 9 . 1 1 16 16 THR CB C 16 70.574 70.574 69.588 0.986 25636 2501 1 9 . 1 1 16 16 THR H H 16 7.153 7.153 7.639 -0.486 25636 2502 1 9 . 1 1 17 17 ARG N N 17 122.509 122.509 122.944 -0.435 25636 2503 1 9 . 1 1 17 17 ARG HA H 17 4.716 4.716 4.203 0.513 25636 2504 1 9 . 1 1 17 17 ARG CA C 17 56.296 56.296 57.014 -0.718 25636 2505 1 9 . 1 1 17 17 ARG CB C 17 30.021 30.021 30.707 -0.686 25636 2506 1 9 . 1 1 17 17 ARG H H 17 7.901 7.901 7.658 0.243 25636 2507 1 9 . 1 1 18 18 VAL N N 18 122.027 122.027 120.697 1.330 25636 2508 1 9 . 1 1 18 18 VAL HA H 18 4.293 4.293 4.253 0.040 25636 2509 1 9 . 1 1 18 18 VAL CA C 18 61.462 61.462 61.428 0.034 25636 2510 1 9 . 1 1 18 18 VAL CB C 18 35.247 35.247 33.866 1.381 25636 2511 1 9 . 1 1 18 18 VAL H H 18 8.568 8.568 8.610 -0.042 25636 2512 1 9 . 1 1 19 19 LEU N N 19 130.327 130.327 127.098 3.229 25636 2513 1 9 . 1 1 19 19 LEU HA H 19 3.718 3.718 4.384 -0.666 25636 2514 1 9 . 1 1 19 19 LEU CA C 19 57.467 57.467 55.398 2.069 25636 2515 1 9 . 1 1 19 19 LEU CB C 19 41.862 41.862 42.730 -0.868 25636 2516 1 9 . 1 1 19 19 LEU H H 19 8.670 8.670 8.544 0.126 25636 2517 1 9 . 1 1 20 20 LEU N N 20 126.389 126.389 128.244 -1.855 25636 2518 1 9 . 1 1 20 20 LEU HA H 20 4.588 4.588 4.313 0.275 25636 2519 1 9 . 1 1 20 20 LEU CA C 20 55.873 55.873 56.265 -0.392 25636 2520 1 9 . 1 1 20 20 LEU CB C 20 42.513 42.513 42.689 -0.176 25636 2521 1 9 . 1 1 20 20 LEU H H 20 9.236 9.236 8.247 0.989 25636 2522 1 9 . 1 1 21 21 MET N N 21 114.450 114.450 111.944 2.506 25636 2523 1 9 . 1 1 21 21 MET HA H 21 4.423 4.423 4.519 -0.096 25636 2524 1 9 . 1 1 21 21 MET CA C 21 56.214 56.214 54.839 1.375 25636 2525 1 9 . 1 1 21 21 MET CB C 21 36.964 36.964 36.055 0.909 25636 2526 1 9 . 1 1 21 21 MET H H 21 7.022 7.022 7.494 -0.472 25636 2527 1 9 . 1 1 22 22 TYR N N 22 123.123 123.123 119.611 3.512 25636 2528 1 9 . 1 1 22 22 TYR HA H 22 4.777 4.777 4.554 0.223 25636 2529 1 9 . 1 1 22 22 TYR CA C 22 57.988 57.988 58.282 -0.294 25636 2530 1 9 . 1 1 22 22 TYR CB C 22 39.356 39.356 39.489 -0.133 25636 2531 1 9 . 1 1 22 22 TYR H H 22 8.515 8.515 8.488 0.027 25636 2532 1 9 . 1 1 23 23 VAL N N 23 123.811 123.811 122.213 1.598 25636 2533 1 9 . 1 1 23 23 VAL HA H 23 4.371 4.371 4.427 -0.056 25636 2534 1 9 . 1 1 23 23 VAL CA C 23 61.503 61.503 61.299 0.204 25636 2535 1 9 . 1 1 23 23 VAL CB C 23 35.418 35.418 33.761 1.657 25636 2536 1 9 . 1 1 23 23 VAL H H 23 9.417 9.417 8.936 0.481 25636 2537 1 9 . 1 1 24 24 ARG N N 24 129.194 129.194 127.583 1.611 25636 2538 1 9 . 1 1 24 24 ARG HA H 24 3.885 3.885 4.060 -0.175 25636 2539 1 9 . 1 1 24 24 ARG CA C 24 56.784 56.784 56.068 0.716 25636 2540 1 9 . 1 1 24 24 ARG CB C 24 30.178 30.178 31.213 -1.035 25636 2541 1 9 . 1 1 24 24 ARG H H 24 8.892 8.892 8.702 0.190 25636 2542 1 9 . 1 1 25 25 ILE N N 25 128.158 128.158 126.261 1.897 25636 2543 1 9 . 1 1 25 25 ILE HA H 25 3.655 3.655 4.119 -0.464 25636 2544 1 9 . 1 1 25 25 ILE CA C 25 64.879 64.879 60.233 4.646 25636 2545 1 9 . 1 1 25 25 ILE CB C 25 37.154 37.154 34.325 2.829 25636 2546 1 9 . 1 1 25 25 ILE H H 25 8.312 8.312 8.225 0.087 25636 2547 1 9 . 1 1 26 26 GLY N N 26 115.464 115.464 111.489 3.975 25636 2548 1 9 . 1 1 26 26 GLY CA C 26 44.352 44.352 45.744 -1.392 25636 2549 1 9 . 1 1 26 26 GLY H H 26 9.389 9.389 8.288 1.101 25636 2550 1 9 . 1 1 27 27 THR N N 27 111.341 111.341 115.230 -3.889 25636 2551 1 9 . 1 1 27 27 THR HA H 27 4.926 4.926 4.625 0.301 25636 2552 1 9 . 1 1 27 27 THR CA C 27 60.299 60.299 61.287 -0.988 25636 2553 1 9 . 1 1 27 27 THR CB C 27 72.194 72.194 70.637 1.557 25636 2554 1 9 . 1 1 27 27 THR H H 27 7.877 7.877 7.632 0.245 25636 2555 1 9 . 1 1 28 28 THR N N 28 108.952 108.952 115.514 -6.562 25636 2556 1 9 . 1 1 28 28 THR HA H 28 5.353 5.353 4.523 0.830 25636 2557 1 9 . 1 1 28 28 THR CA C 28 59.143 59.143 61.452 -2.309 25636 2558 1 9 . 1 1 28 28 THR CB C 28 71.706 71.706 69.502 2.204 25636 2559 1 9 . 1 1 28 28 THR H H 28 7.732 7.732 8.240 -0.508 25636 2560 1 9 . 1 1 29 29 ALA N N 29 122.383 122.383 128.811 -6.428 25636 2561 1 9 . 1 1 29 29 ALA HA H 29 4.621 4.621 4.670 -0.049 25636 2562 1 9 . 1 1 29 29 ALA CA C 29 51.796 51.796 51.195 0.601 25636 2563 1 9 . 1 1 29 29 ALA CB C 29 24.556 24.556 21.291 3.265 25636 2564 1 9 . 1 1 29 29 ALA H H 29 8.634 8.634 8.438 0.196 25636 2565 1 9 . 1 1 30 30 THR N N 30 115.881 115.881 114.018 1.863 25636 2566 1 9 . 1 1 30 30 THR HA H 30 4.885 4.885 4.852 0.033 25636 2567 1 9 . 1 1 30 30 THR CA C 30 62.300 62.300 61.398 0.902 25636 2568 1 9 . 1 1 30 30 THR CB C 30 69.265 69.265 70.521 -1.256 25636 2569 1 9 . 1 1 30 30 THR H H 30 8.317 8.317 8.127 0.190 25636 2570 1 9 . 1 1 31 31 ILE N N 31 126.005 126.005 123.735 2.270 25636 2571 1 9 . 1 1 31 31 ILE HA H 31 4.388 4.388 4.399 -0.011 25636 2572 1 9 . 1 1 31 31 ILE CA C 31 59.562 59.562 60.247 -0.685 25636 2573 1 9 . 1 1 31 31 ILE CB C 31 40.634 40.634 41.324 -0.690 25636 2574 1 9 . 1 1 31 31 ILE H H 31 9.166 9.166 8.964 0.202 25636 2575 1 9 . 1 1 32 32 THR N N 32 120.162 120.162 122.937 -2.775 25636 2576 1 9 . 1 1 32 32 THR HA H 32 5.300 5.300 5.263 0.037 25636 2577 1 9 . 1 1 32 32 THR CA C 32 60.885 60.885 61.016 -0.131 25636 2578 1 9 . 1 1 32 32 THR CB C 32 69.867 69.867 68.822 1.045 25636 2579 1 9 . 1 1 32 32 THR H H 32 8.441 8.441 8.627 -0.186 25636 2580 1 9 . 1 1 33 33 ALA N N 33 127.525 127.525 127.122 0.403 25636 2581 1 9 . 1 1 33 33 ALA HA H 33 4.644 4.644 4.825 -0.181 25636 2582 1 9 . 1 1 33 33 ALA CA C 33 51.975 51.975 51.374 0.601 25636 2583 1 9 . 1 1 33 33 ALA CB C 33 22.897 22.897 22.064 0.833 25636 2584 1 9 . 1 1 33 33 ALA H H 33 9.130 9.130 9.108 0.022 25636 2585 1 9 . 1 1 34 34 ARG N N 34 118.330 118.330 121.539 -3.209 25636 2586 1 9 . 1 1 34 34 ARG HA H 34 3.814 3.814 4.057 -0.243 25636 2587 1 9 . 1 1 34 34 ARG CA C 34 57.028 57.028 56.999 0.029 25636 2588 1 9 . 1 1 34 34 ARG CB C 34 27.337 27.337 28.383 -1.046 25636 2589 1 9 . 1 1 34 34 ARG H H 34 9.232 9.232 9.239 -0.007 25636 2590 1 9 . 1 1 35 35 GLY N N 35 104.002 104.002 104.053 -0.051 25636 2591 1 9 . 1 1 35 35 GLY CA C 35 45.368 45.368 45.487 -0.119 25636 2592 1 9 . 1 1 35 35 GLY H H 35 8.642 8.642 8.653 -0.011 25636 2593 1 9 . 1 1 36 36 HIS N N 36 119.875 119.875 118.294 1.581 25636 2594 1 9 . 1 1 36 36 HIS HA H 36 4.703 4.703 4.665 0.038 25636 2595 1 9 . 1 1 36 36 HIS CA C 36 54.376 54.376 54.919 -0.543 25636 2596 1 9 . 1 1 36 36 HIS CB C 36 32.880 32.880 33.077 -0.197 25636 2597 1 9 . 1 1 36 36 HIS H H 36 8.188 8.188 8.192 -0.004 25636 2598 1 9 . 1 1 37 37 GLU N N 37 119.578 119.578 121.509 -1.931 25636 2599 1 9 . 1 1 37 37 GLU HA H 37 5.018 5.018 4.955 0.063 25636 2600 1 9 . 1 1 37 37 GLU CA C 37 55.092 55.092 55.083 0.009 25636 2601 1 9 . 1 1 37 37 GLU CB C 37 31.863 31.863 31.439 0.424 25636 2602 1 9 . 1 1 37 37 GLU H H 37 7.991 7.991 8.032 -0.041 25636 2603 1 9 . 1 1 38 38 PHE N N 38 121.593 121.593 123.562 -1.969 25636 2604 1 9 . 1 1 38 38 PHE HA H 38 4.755 4.755 4.814 -0.059 25636 2605 1 9 . 1 1 38 38 PHE CA C 38 56.442 56.442 56.618 -0.176 25636 2606 1 9 . 1 1 38 38 PHE CB C 38 41.569 41.569 41.511 0.058 25636 2607 1 9 . 1 1 38 38 PHE H H 38 9.149 9.149 9.230 -0.081 25636 2608 1 9 . 1 1 39 39 GLU N N 39 125.332 125.332 126.361 -1.029 25636 2609 1 9 . 1 1 39 39 GLU HA H 39 5.186 5.186 4.799 0.387 25636 2610 1 9 . 1 1 39 39 GLU CA C 39 55.531 55.531 55.305 0.226 25636 2611 1 9 . 1 1 39 39 GLU CB C 39 30.309 30.309 30.618 -0.309 25636 2612 1 9 . 1 1 39 39 GLU H H 39 8.539 8.539 8.993 -0.454 25636 2613 1 9 . 1 1 40 40 VAL N N 40 120.623 120.623 121.093 -0.470 25636 2614 1 9 . 1 1 40 40 VAL HA H 40 5.396 5.396 4.809 0.587 25636 2615 1 9 . 1 1 40 40 VAL CA C 40 58.517 58.517 59.287 -0.770 25636 2616 1 9 . 1 1 40 40 VAL CB C 40 34.287 34.287 33.895 0.392 25636 2617 1 9 . 1 1 40 40 VAL H H 40 8.773 8.773 7.481 1.292 25636 2618 1 9 . 1 1 41 41 GLU N N 41 118.742 118.742 122.215 -3.473 25636 2619 1 9 . 1 1 41 41 GLU HA H 41 4.553 4.553 4.454 0.099 25636 2620 1 9 . 1 1 41 41 GLU CA C 41 54.359 54.359 55.059 -0.700 25636 2621 1 9 . 1 1 41 41 GLU CB C 41 32.408 32.408 31.399 1.009 25636 2622 1 9 . 1 1 41 41 GLU H H 41 7.973 7.973 8.535 -0.562 25636 2623 1 9 . 1 1 42 42 ALA N N 42 132.540 132.540 128.893 3.647 25636 2624 1 9 . 1 1 42 42 ALA HA H 42 4.662 4.662 4.494 0.168 25636 2625 1 9 . 1 1 42 42 ALA CA C 42 50.446 50.446 51.852 -1.405 25636 2626 1 9 . 1 1 42 42 ALA CB C 42 18.015 18.015 19.594 -1.579 25636 2627 1 9 . 1 1 42 42 ALA H H 42 8.181 8.181 8.600 -0.419 25636 2628 1 9 . 1 1 43 43 LYS N N 43 125.936 125.936 121.911 4.025 25636 2629 1 9 . 1 1 43 43 LYS HA H 43 3.955 3.955 4.456 -0.501 25636 2630 1 9 . 1 1 43 43 LYS CA C 43 59.648 59.648 56.443 3.205 25636 2631 1 9 . 1 1 43 43 LYS CB C 43 34.670 34.670 33.666 1.004 25636 2632 1 9 . 1 1 43 43 LYS H H 43 9.029 9.029 8.714 0.315 25636 2633 1 9 . 1 1 44 44 ASP N N 44 110.443 110.443 116.943 -6.500 25636 2634 1 9 . 1 1 44 44 ASP HA H 44 4.338 4.338 4.680 -0.342 25636 2635 1 9 . 1 1 44 44 ASP CA C 44 53.074 53.074 53.716 -0.642 25636 2636 1 9 . 1 1 44 44 ASP CB C 44 41.337 41.337 42.598 -1.261 25636 2637 1 9 . 1 1 44 44 ASP H H 44 7.463 7.463 7.859 -0.396 25636 2638 1 9 . 1 1 45 45 GLN N N 45 112.575 112.575 117.904 -5.329 25636 2639 1 9 . 1 1 45 45 GLN HA H 45 4.064 4.064 4.049 0.015 25636 2640 1 9 . 1 1 45 45 GLN CA C 45 57.663 57.663 57.887 -0.224 25636 2641 1 9 . 1 1 45 45 GLN CB C 45 28.047 28.047 28.982 -0.935 25636 2642 1 9 . 1 1 45 45 GLN H H 45 8.370 8.370 8.530 -0.160 25636 2643 1 9 . 1 1 46 46 ASN N N 46 117.659 117.659 118.255 -0.596 25636 2644 1 9 . 1 1 46 46 ASN HA H 46 4.536 4.536 4.781 -0.245 25636 2645 1 9 . 1 1 46 46 ASN CA C 46 55.271 55.271 53.027 2.244 25636 2646 1 9 . 1 1 46 46 ASN CB C 46 38.046 38.046 37.457 0.589 25636 2647 1 9 . 1 1 46 46 ASN H H 46 8.704 8.704 8.386 0.318 25636 2648 1 9 . 1 1 47 47 CYS N N 47 112.520 112.520 121.167 -8.647 25636 2649 1 9 . 1 1 47 47 CYS HA H 47 4.397 4.397 4.618 -0.221 25636 2650 1 9 . 1 1 47 47 CYS CA C 47 55.075 55.075 58.439 -3.364 25636 2651 1 9 . 1 1 47 47 CYS CB C 47 36.199 36.199 28.985 7.214 25636 2652 1 9 . 1 1 47 47 CYS H H 47 8.486 8.486 8.019 0.467 25636 2653 1 9 . 1 1 48 48 LYS N N 48 116.117 116.117 124.500 -8.383 25636 2654 1 9 . 1 1 48 48 LYS HA H 48 4.130 4.130 4.554 -0.424 25636 2655 1 9 . 1 1 48 48 LYS CA C 48 56.865 56.865 54.845 2.020 25636 2656 1 9 . 1 1 48 48 LYS CB C 48 32.180 32.180 34.473 -2.293 25636 2657 1 9 . 1 1 48 48 LYS H H 48 7.970 7.970 8.447 -0.477 25636 2658 1 9 . 1 1 49 49 VAL N N 49 126.872 126.872 120.960 5.912 25636 2659 1 9 . 1 1 49 49 VAL HA H 49 3.632 3.632 4.038 -0.406 25636 2660 1 9 . 1 1 49 49 VAL CA C 49 64.782 64.782 62.975 1.807 25636 2661 1 9 . 1 1 49 49 VAL CB C 49 30.317 30.317 30.628 -0.311 25636 2662 1 9 . 1 1 49 49 VAL H H 49 8.951 8.951 8.572 0.379 25636 2663 1 9 . 1 1 50 50 ILE N N 50 132.487 132.487 126.644 5.843 25636 2664 1 9 . 1 1 50 50 ILE HA H 50 4.135 4.135 4.371 -0.236 25636 2665 1 9 . 1 1 50 50 ILE CA C 50 60.535 60.535 60.353 0.181 25636 2666 1 9 . 1 1 50 50 ILE CB C 50 41.659 41.659 42.129 -0.470 25636 2667 1 9 . 1 1 50 50 ILE H H 50 8.666 8.666 7.668 0.998 25636 2668 1 9 . 1 1 51 51 LEU N N 51 125.179 125.179 124.030 1.149 25636 2669 1 9 . 1 1 51 51 LEU HA H 51 5.250 5.250 5.293 -0.043 25636 2670 1 9 . 1 1 51 51 LEU CA C 51 53.245 53.245 53.443 -0.198 25636 2671 1 9 . 1 1 51 51 LEU CB C 51 41.146 41.146 44.282 -3.136 25636 2672 1 9 . 1 1 51 51 LEU H H 51 8.789 8.789 8.151 0.638 25636 2673 1 9 . 1 1 52 52 THR N N 52 115.511 115.511 115.974 -0.463 25636 2674 1 9 . 1 1 52 52 THR HA H 52 4.079 4.079 4.266 -0.187 25636 2675 1 9 . 1 1 52 52 THR CA C 52 63.822 63.822 63.349 0.472 25636 2676 1 9 . 1 1 52 52 THR CB C 52 68.335 68.335 68.721 -0.385 25636 2677 1 9 . 1 1 52 52 THR H H 52 8.528 8.528 8.421 0.107 25636 2678 1 9 . 1 1 53 53 ASN N N 53 116.941 116.941 120.312 -3.371 25636 2679 1 9 . 1 1 53 53 ASN HA H 53 4.514 4.514 4.842 -0.328 25636 2680 1 9 . 1 1 53 53 ASN CA C 53 52.740 52.740 51.726 1.014 25636 2681 1 9 . 1 1 53 53 ASN CB C 53 37.314 37.314 38.037 -0.723 25636 2682 1 9 . 1 1 53 53 ASN H H 53 8.149 8.149 8.059 0.090 25636 2683 1 9 . 1 1 54 54 GLY N N 54 106.580 106.580 105.838 0.742 25636 2684 1 9 . 1 1 54 54 GLY CA C 54 45.735 45.735 46.097 -0.362 25636 2685 1 9 . 1 1 54 54 GLY H H 54 7.949 7.949 8.449 -0.500 25636 2686 1 9 . 1 1 55 55 LYS N N 55 120.679 120.679 118.261 2.418 25636 2687 1 9 . 1 1 55 55 LYS HA H 55 4.251 4.251 4.584 -0.333 25636 2688 1 9 . 1 1 55 55 LYS CA C 55 55.848 55.848 54.642 1.206 25636 2689 1 9 . 1 1 55 55 LYS CB C 55 32.595 32.595 35.881 -3.286 25636 2690 1 9 . 1 1 55 55 LYS H H 55 7.806 7.806 7.806 0.000 25636 2691 1 9 . 1 1 56 56 GLN N N 56 119.471 119.471 118.367 1.104 25636 2692 1 9 . 1 1 56 56 GLN HA H 56 4.114 4.114 4.620 -0.506 25636 2693 1 9 . 1 1 56 56 GLN CA C 56 55.865 55.865 54.377 1.488 25636 2694 1 9 . 1 1 56 56 GLN CB C 56 29.228 29.228 30.783 -1.555 25636 2695 1 9 . 1 1 56 56 GLN H H 56 8.241 8.241 8.408 -0.167 25636 2696 1 9 . 1 1 57 57 ALA N N 57 129.241 129.241 125.070 4.171 25636 2697 1 9 . 1 1 57 57 ALA HA H 57 4.136 4.136 4.071 0.065 25636 2698 1 9 . 1 1 57 57 ALA CA C 57 50.210 50.210 50.863 -0.653 25636 2699 1 9 . 1 1 57 57 ALA CB C 57 18.056 18.056 17.463 0.593 25636 2700 1 9 . 1 1 57 57 ALA H H 57 8.667 8.667 8.349 0.318 25636 2701 1 9 . 1 1 58 58 PRO HA H 58 4.181 4.181 4.283 -0.102 25636 2702 1 9 . 1 1 58 58 PRO CA C 58 62.162 62.162 61.814 0.348 25636 2703 1 9 . 1 1 58 58 PRO CB C 58 31.226 31.226 31.758 -0.532 25636 2704 1 9 . 1 1 59 59 ASP N N 59 120.839 120.839 117.183 3.656 25636 2705 1 9 . 1 1 59 59 ASP HA H 59 4.151 4.151 4.503 -0.352 25636 2706 1 9 . 1 1 59 59 ASP CA C 59 56.483 56.483 55.697 0.786 25636 2707 1 9 . 1 1 59 59 ASP CB C 59 40.568 40.568 40.949 -0.381 25636 2708 1 9 . 1 1 59 59 ASP H H 59 8.576 8.576 8.530 0.046 25636 2709 1 9 . 1 1 60 60 TRP N N 60 114.095 114.095 117.550 -3.455 25636 2710 1 9 . 1 1 60 60 TRP HA H 60 4.460 4.460 4.827 -0.367 25636 2711 1 9 . 1 1 60 60 TRP CA C 60 54.579 54.579 55.109 -0.531 25636 2712 1 9 . 1 1 60 60 TRP CB C 60 29.366 29.366 28.748 0.618 25636 2713 1 9 . 1 1 60 60 TRP H H 60 6.701 6.701 7.194 -0.493 25636 2714 1 9 . 1 1 61 61 LEU N N 61 123.142 123.142 121.291 1.851 25636 2715 1 9 . 1 1 61 61 LEU HA H 61 4.743 4.743 4.259 0.484 25636 2716 1 9 . 1 1 61 61 LEU CA C 61 54.839 54.839 53.058 1.781 25636 2717 1 9 . 1 1 61 61 LEU CB C 61 42.083 42.083 43.398 -1.315 25636 2718 1 9 . 1 1 61 61 LEU H H 61 6.541 6.541 6.932 -0.391 25636 2719 1 9 . 1 1 62 62 ALA N N 62 131.106 131.106 125.696 5.410 25636 2720 1 9 . 1 1 62 62 ALA HA H 62 4.644 4.644 4.522 0.122 25636 2721 1 9 . 1 1 62 62 ALA CA C 62 50.478 50.478 51.132 -0.654 25636 2722 1 9 . 1 1 62 62 ALA CB C 62 23.434 23.434 21.715 1.719 25636 2723 1 9 . 1 1 62 62 ALA H H 62 8.993 8.993 7.637 1.356 25636 2724 1 9 . 1 1 63 63 ALA N N 63 118.796 118.796 121.640 -2.844 25636 2725 1 9 . 1 1 63 63 ALA HA H 63 5.633 5.633 4.891 0.742 25636 2726 1 9 . 1 1 63 63 ALA CA C 63 51.143 51.143 51.944 -0.801 25636 2727 1 9 . 1 1 63 63 ALA CB C 63 22.490 22.490 21.287 1.203 25636 2728 1 9 . 1 1 63 63 ALA H H 63 8.139 8.139 8.344 -0.205 25636 2729 1 9 . 1 1 64 64 GLU N N 64 116.715 116.715 123.131 -6.416 25636 2730 1 9 . 1 1 64 64 GLU HA H 64 4.902 4.902 5.030 -0.128 25636 2731 1 9 . 1 1 64 64 GLU CA C 64 53.009 53.009 53.275 -0.266 25636 2732 1 9 . 1 1 64 64 GLU CB C 64 32.619 32.619 32.340 0.279 25636 2733 1 9 . 1 1 64 64 GLU H H 64 8.563 8.563 8.116 0.447 25636 2734 1 9 . 1 1 65 65 PRO HA H 65 5.486 5.486 4.669 0.817 25636 2735 1 9 . 1 1 65 65 PRO CA C 65 62.878 62.878 63.106 -0.228 25636 2736 1 9 . 1 1 65 65 PRO CB C 65 32.606 32.606 32.817 -0.211 25636 2737 1 10 . 1 1 2 2 PRO HA H 2 4.386 4.386 4.489 -0.103 25636 2738 1 10 . 1 1 2 2 PRO CA C 2 62.756 62.756 62.837 -0.081 25636 2739 1 10 . 1 1 2 2 PRO CB C 2 32.034 32.034 32.523 -0.489 25636 2740 1 10 . 1 1 3 3 ALA N N 3 124.343 124.343 126.616 -2.273 25636 2741 1 10 . 1 1 3 3 ALA HA H 3 4.306 4.306 4.595 -0.289 25636 2742 1 10 . 1 1 3 3 ALA CA C 3 52.756 52.756 51.837 0.920 25636 2743 1 10 . 1 1 3 3 ALA CB C 3 19.935 19.935 19.748 0.187 25636 2744 1 10 . 1 1 3 3 ALA H H 3 8.192 8.192 8.416 -0.224 25636 2745 1 10 . 1 1 4 4 ARG N N 4 119.928 119.928 123.862 -3.934 25636 2746 1 10 . 1 1 4 4 ARG HA H 4 4.323 4.323 4.814 -0.491 25636 2747 1 10 . 1 1 4 4 ARG CA C 4 56.231 56.231 55.824 0.407 25636 2748 1 10 . 1 1 4 4 ARG CB C 4 33.629 33.629 33.806 -0.177 25636 2749 1 10 . 1 1 4 4 ARG H H 4 9.195 9.195 8.528 0.667 25636 2750 1 10 . 1 1 5 5 PHE N N 5 119.084 119.084 120.100 -1.016 25636 2751 1 10 . 1 1 5 5 PHE HA H 5 5.321 5.321 4.797 0.524 25636 2752 1 10 . 1 1 5 5 PHE CA C 5 56.914 56.914 57.011 -0.097 25636 2753 1 10 . 1 1 5 5 PHE CB C 5 43.554 43.554 43.086 0.468 25636 2754 1 10 . 1 1 5 5 PHE H H 5 9.242 9.242 8.520 0.722 25636 2755 1 10 . 1 1 6 6 CYS N N 6 116.173 116.173 119.000 -2.827 25636 2756 1 10 . 1 1 6 6 CYS HA H 6 5.281 5.281 4.872 0.409 25636 2757 1 10 . 1 1 6 6 CYS CA C 6 54.262 54.262 58.238 -3.976 25636 2758 1 10 . 1 1 6 6 CYS CB C 6 39.730 39.730 30.207 9.523 25636 2759 1 10 . 1 1 6 6 CYS H H 6 9.204 9.204 8.524 0.680 25636 2760 1 10 . 1 1 7 7 VAL N N 7 126.228 126.228 120.138 6.090 25636 2761 1 10 . 1 1 7 7 VAL HA H 7 4.314 4.314 4.349 -0.035 25636 2762 1 10 . 1 1 7 7 VAL CA C 7 60.665 60.665 60.815 -0.150 25636 2763 1 10 . 1 1 7 7 VAL CB C 7 32.359 32.359 35.142 -2.783 25636 2764 1 10 . 1 1 7 7 VAL H H 7 9.474 9.474 8.737 0.737 25636 2765 1 10 . 1 1 8 8 TYR N N 8 123.478 123.478 125.127 -1.649 25636 2766 1 10 . 1 1 8 8 TYR HA H 8 5.120 5.120 4.600 0.520 25636 2767 1 10 . 1 1 8 8 TYR CA C 8 57.174 57.174 56.427 0.747 25636 2768 1 10 . 1 1 8 8 TYR CB C 8 40.918 40.918 41.522 -0.604 25636 2769 1 10 . 1 1 8 8 TYR H H 8 8.195 8.195 7.795 0.400 25636 2770 1 10 . 1 1 9 9 TYR N N 9 119.745 119.745 122.134 -2.389 25636 2771 1 10 . 1 1 9 9 TYR HA H 9 5.209 5.209 4.791 0.418 25636 2772 1 10 . 1 1 9 9 TYR CA C 9 56.930 56.930 56.807 0.123 25636 2773 1 10 . 1 1 9 9 TYR CB C 9 44.026 44.026 42.273 1.753 25636 2774 1 10 . 1 1 9 9 TYR H H 9 9.410 9.410 7.728 1.682 25636 2775 1 10 . 1 1 10 10 ASP N N 10 118.515 118.515 118.684 -0.169 25636 2776 1 10 . 1 1 10 10 ASP HA H 10 5.203 5.203 5.018 0.185 25636 2777 1 10 . 1 1 10 10 ASP CA C 10 52.879 52.879 52.809 0.070 25636 2778 1 10 . 1 1 10 10 ASP CB C 10 41.522 41.522 45.103 -3.581 25636 2779 1 10 . 1 1 10 10 ASP H H 10 8.948 8.948 8.384 0.564 25636 2780 1 10 . 1 1 11 11 GLY N N 11 114.853 114.853 109.070 5.783 25636 2781 1 10 . 1 1 11 11 GLY CA C 11 44.213 44.213 46.610 -2.397 25636 2782 1 10 . 1 1 11 11 GLY H H 11 9.014 9.014 8.504 0.510 25636 2783 1 10 . 1 1 12 12 HIS N N 12 114.423 114.423 121.695 -7.272 25636 2784 1 10 . 1 1 12 12 HIS HA H 12 4.415 4.415 4.487 -0.072 25636 2785 1 10 . 1 1 12 12 HIS CA C 12 56.572 56.572 54.741 1.831 25636 2786 1 10 . 1 1 12 12 HIS CB C 12 32.017 32.017 33.330 -1.313 25636 2787 1 10 . 1 1 12 12 HIS H H 12 8.133 8.133 7.853 0.280 25636 2788 1 10 . 1 1 13 13 LEU N N 13 123.763 123.763 124.966 -1.203 25636 2789 1 10 . 1 1 13 13 LEU HA H 13 4.777 4.777 4.262 0.515 25636 2790 1 10 . 1 1 13 13 LEU CA C 13 52.049 52.049 54.099 -2.050 25636 2791 1 10 . 1 1 13 13 LEU CB C 13 41.569 41.569 42.532 -0.963 25636 2792 1 10 . 1 1 13 13 LEU H H 13 8.385 8.385 8.637 -0.252 25636 2793 1 10 . 1 1 14 14 PRO HA H 14 3.707 3.707 4.292 -0.585 25636 2794 1 10 . 1 1 14 14 PRO CA C 14 65.579 65.579 64.330 1.249 25636 2795 1 10 . 1 1 14 14 PRO CB C 14 31.895 31.895 31.916 -0.021 25636 2796 1 10 . 1 1 15 15 ALA N N 15 115.114 115.114 121.971 -6.857 25636 2797 1 10 . 1 1 15 15 ALA HA H 15 4.149 4.149 4.273 -0.124 25636 2798 1 10 . 1 1 15 15 ALA CA C 15 54.628 54.628 54.290 0.338 25636 2799 1 10 . 1 1 15 15 ALA CB C 15 19.577 19.577 18.930 0.646 25636 2800 1 10 . 1 1 15 15 ALA H H 15 8.162 8.162 8.209 -0.047 25636 2801 1 10 . 1 1 16 16 THR N N 16 102.057 102.057 112.156 -10.099 25636 2802 1 10 . 1 1 16 16 THR HA H 16 4.553 4.553 4.400 0.153 25636 2803 1 10 . 1 1 16 16 THR CA C 16 60.331 60.331 61.227 -0.896 25636 2804 1 10 . 1 1 16 16 THR CB C 16 70.574 70.574 69.820 0.754 25636 2805 1 10 . 1 1 16 16 THR H H 16 7.153 7.153 7.669 -0.516 25636 2806 1 10 . 1 1 17 17 ARG N N 17 122.509 122.509 123.037 -0.528 25636 2807 1 10 . 1 1 17 17 ARG HA H 17 4.716 4.716 4.192 0.524 25636 2808 1 10 . 1 1 17 17 ARG CA C 17 56.296 56.296 57.233 -0.937 25636 2809 1 10 . 1 1 17 17 ARG CB C 17 30.021 30.021 30.705 -0.684 25636 2810 1 10 . 1 1 17 17 ARG H H 17 7.901 7.901 7.608 0.293 25636 2811 1 10 . 1 1 18 18 VAL N N 18 122.027 122.027 120.512 1.515 25636 2812 1 10 . 1 1 18 18 VAL HA H 18 4.293 4.293 4.273 0.020 25636 2813 1 10 . 1 1 18 18 VAL CA C 18 61.462 61.462 61.025 0.437 25636 2814 1 10 . 1 1 18 18 VAL CB C 18 35.247 35.247 34.602 0.645 25636 2815 1 10 . 1 1 18 18 VAL H H 18 8.568 8.568 8.573 -0.005 25636 2816 1 10 . 1 1 19 19 LEU N N 19 130.327 130.327 127.276 3.051 25636 2817 1 10 . 1 1 19 19 LEU HA H 19 3.718 3.718 4.463 -0.745 25636 2818 1 10 . 1 1 19 19 LEU CA C 19 57.467 57.467 55.316 2.151 25636 2819 1 10 . 1 1 19 19 LEU CB C 19 41.862 41.862 42.813 -0.951 25636 2820 1 10 . 1 1 19 19 LEU H H 19 8.670 8.670 8.531 0.139 25636 2821 1 10 . 1 1 20 20 LEU N N 20 126.389 126.389 128.446 -2.057 25636 2822 1 10 . 1 1 20 20 LEU HA H 20 4.588 4.588 4.355 0.233 25636 2823 1 10 . 1 1 20 20 LEU CA C 20 55.873 55.873 56.452 -0.579 25636 2824 1 10 . 1 1 20 20 LEU CB C 20 42.513 42.513 42.650 -0.137 25636 2825 1 10 . 1 1 20 20 LEU H H 20 9.236 9.236 8.348 0.888 25636 2826 1 10 . 1 1 21 21 MET N N 21 114.450 114.450 111.879 2.571 25636 2827 1 10 . 1 1 21 21 MET HA H 21 4.423 4.423 4.592 -0.169 25636 2828 1 10 . 1 1 21 21 MET CA C 21 56.214 56.214 55.251 0.963 25636 2829 1 10 . 1 1 21 21 MET CB C 21 36.964 36.964 36.399 0.565 25636 2830 1 10 . 1 1 21 21 MET H H 21 7.022 7.022 7.547 -0.525 25636 2831 1 10 . 1 1 22 22 TYR N N 22 123.123 123.123 120.213 2.910 25636 2832 1 10 . 1 1 22 22 TYR HA H 22 4.777 4.777 4.610 0.167 25636 2833 1 10 . 1 1 22 22 TYR CA C 22 57.988 57.988 58.308 -0.320 25636 2834 1 10 . 1 1 22 22 TYR CB C 22 39.356 39.356 39.147 0.209 25636 2835 1 10 . 1 1 22 22 TYR H H 22 8.515 8.515 8.604 -0.089 25636 2836 1 10 . 1 1 23 23 VAL N N 23 123.811 123.811 125.412 -1.601 25636 2837 1 10 . 1 1 23 23 VAL HA H 23 4.371 4.371 4.391 -0.020 25636 2838 1 10 . 1 1 23 23 VAL CA C 23 61.503 61.503 61.192 0.311 25636 2839 1 10 . 1 1 23 23 VAL CB C 23 35.418 35.418 32.960 2.458 25636 2840 1 10 . 1 1 23 23 VAL H H 23 9.417 9.417 8.839 0.578 25636 2841 1 10 . 1 1 24 24 ARG N N 24 129.194 129.194 127.130 2.064 25636 2842 1 10 . 1 1 24 24 ARG HA H 24 3.885 3.885 4.441 -0.556 25636 2843 1 10 . 1 1 24 24 ARG CA C 24 56.784 56.784 56.285 0.499 25636 2844 1 10 . 1 1 24 24 ARG CB C 24 30.178 30.178 30.818 -0.640 25636 2845 1 10 . 1 1 24 24 ARG H H 24 8.892 8.892 8.816 0.076 25636 2846 1 10 . 1 1 25 25 ILE N N 25 128.158 128.158 123.896 4.262 25636 2847 1 10 . 1 1 25 25 ILE HA H 25 3.655 3.655 3.995 -0.340 25636 2848 1 10 . 1 1 25 25 ILE CA C 25 64.879 64.879 61.292 3.587 25636 2849 1 10 . 1 1 25 25 ILE CB C 25 37.154 37.154 35.242 1.911 25636 2850 1 10 . 1 1 25 25 ILE H H 25 8.312 8.312 8.359 -0.047 25636 2851 1 10 . 1 1 26 26 GLY N N 26 115.464 115.464 110.328 5.136 25636 2852 1 10 . 1 1 26 26 GLY CA C 26 44.352 44.352 45.270 -0.918 25636 2853 1 10 . 1 1 26 26 GLY H H 26 9.389 9.389 8.248 1.141 25636 2854 1 10 . 1 1 27 27 THR N N 27 111.341 111.341 114.974 -3.633 25636 2855 1 10 . 1 1 27 27 THR HA H 27 4.926 4.926 4.610 0.316 25636 2856 1 10 . 1 1 27 27 THR CA C 27 60.299 60.299 60.559 -0.261 25636 2857 1 10 . 1 1 27 27 THR CB C 27 72.194 72.194 69.805 2.389 25636 2858 1 10 . 1 1 27 27 THR H H 27 7.877 7.877 7.614 0.263 25636 2859 1 10 . 1 1 28 28 THR N N 28 108.952 108.952 116.085 -7.133 25636 2860 1 10 . 1 1 28 28 THR HA H 28 5.353 5.353 4.528 0.825 25636 2861 1 10 . 1 1 28 28 THR CA C 28 59.143 59.143 61.503 -2.360 25636 2862 1 10 . 1 1 28 28 THR CB C 28 71.706 71.706 69.155 2.551 25636 2863 1 10 . 1 1 28 28 THR H H 28 7.732 7.732 8.200 -0.468 25636 2864 1 10 . 1 1 29 29 ALA N N 29 122.383 122.383 129.598 -7.215 25636 2865 1 10 . 1 1 29 29 ALA HA H 29 4.621 4.621 4.738 -0.117 25636 2866 1 10 . 1 1 29 29 ALA CA C 29 51.796 51.796 51.159 0.637 25636 2867 1 10 . 1 1 29 29 ALA CB C 29 24.556 24.556 21.356 3.200 25636 2868 1 10 . 1 1 29 29 ALA H H 29 8.634 8.634 8.428 0.206 25636 2869 1 10 . 1 1 30 30 THR N N 30 115.881 115.881 114.582 1.299 25636 2870 1 10 . 1 1 30 30 THR HA H 30 4.885 4.885 4.840 0.045 25636 2871 1 10 . 1 1 30 30 THR CA C 30 62.300 62.300 61.207 1.093 25636 2872 1 10 . 1 1 30 30 THR CB C 30 69.265 69.265 70.446 -1.181 25636 2873 1 10 . 1 1 30 30 THR H H 30 8.317 8.317 8.101 0.216 25636 2874 1 10 . 1 1 31 31 ILE N N 31 126.005 126.005 124.558 1.447 25636 2875 1 10 . 1 1 31 31 ILE HA H 31 4.388 4.388 4.465 -0.077 25636 2876 1 10 . 1 1 31 31 ILE CA C 31 59.562 59.562 60.455 -0.893 25636 2877 1 10 . 1 1 31 31 ILE CB C 31 40.634 40.634 41.596 -0.962 25636 2878 1 10 . 1 1 31 31 ILE H H 31 9.166 9.166 9.014 0.152 25636 2879 1 10 . 1 1 32 32 THR N N 32 120.162 120.162 124.502 -4.340 25636 2880 1 10 . 1 1 32 32 THR HA H 32 5.300 5.300 4.978 0.322 25636 2881 1 10 . 1 1 32 32 THR CA C 32 60.885 60.885 62.231 -1.347 25636 2882 1 10 . 1 1 32 32 THR CB C 32 69.867 69.867 69.105 0.762 25636 2883 1 10 . 1 1 32 32 THR H H 32 8.441 8.441 8.714 -0.273 25636 2884 1 10 . 1 1 33 33 ALA N N 33 127.525 127.525 127.790 -0.265 25636 2885 1 10 . 1 1 33 33 ALA HA H 33 4.644 4.644 4.744 -0.100 25636 2886 1 10 . 1 1 33 33 ALA CA C 33 51.975 51.975 52.013 -0.038 25636 2887 1 10 . 1 1 33 33 ALA CB C 33 22.897 22.897 21.421 1.476 25636 2888 1 10 . 1 1 33 33 ALA H H 33 9.130 9.130 8.858 0.272 25636 2889 1 10 . 1 1 34 34 ARG N N 34 118.330 118.330 122.094 -3.764 25636 2890 1 10 . 1 1 34 34 ARG HA H 34 3.814 3.814 4.110 -0.296 25636 2891 1 10 . 1 1 34 34 ARG CA C 34 57.028 57.028 56.920 0.107 25636 2892 1 10 . 1 1 34 34 ARG CB C 34 27.337 27.337 28.095 -0.758 25636 2893 1 10 . 1 1 34 34 ARG H H 34 9.232 9.232 9.327 -0.095 25636 2894 1 10 . 1 1 35 35 GLY N N 35 104.002 104.002 104.434 -0.432 25636 2895 1 10 . 1 1 35 35 GLY CA C 35 45.368 45.368 45.251 0.117 25636 2896 1 10 . 1 1 35 35 GLY H H 35 8.642 8.642 8.505 0.137 25636 2897 1 10 . 1 1 36 36 HIS N N 36 119.875 119.875 118.948 0.927 25636 2898 1 10 . 1 1 36 36 HIS HA H 36 4.703 4.703 4.693 0.010 25636 2899 1 10 . 1 1 36 36 HIS CA C 36 54.376 54.376 55.134 -0.758 25636 2900 1 10 . 1 1 36 36 HIS CB C 36 32.880 32.880 33.112 -0.232 25636 2901 1 10 . 1 1 36 36 HIS H H 36 8.188 8.188 7.970 0.218 25636 2902 1 10 . 1 1 37 37 GLU N N 37 119.578 119.578 123.186 -3.608 25636 2903 1 10 . 1 1 37 37 GLU HA H 37 5.018 5.018 4.796 0.222 25636 2904 1 10 . 1 1 37 37 GLU CA C 37 55.092 55.092 54.673 0.419 25636 2905 1 10 . 1 1 37 37 GLU CB C 37 31.863 31.863 30.184 1.679 25636 2906 1 10 . 1 1 37 37 GLU H H 37 7.991 7.991 8.321 -0.330 25636 2907 1 10 . 1 1 38 38 PHE N N 38 121.593 121.593 124.783 -3.190 25636 2908 1 10 . 1 1 38 38 PHE HA H 38 4.755 4.755 4.761 -0.006 25636 2909 1 10 . 1 1 38 38 PHE CA C 38 56.442 56.442 56.234 0.208 25636 2910 1 10 . 1 1 38 38 PHE CB C 38 41.569 41.569 40.660 0.909 25636 2911 1 10 . 1 1 38 38 PHE H H 38 9.149 9.149 9.086 0.063 25636 2912 1 10 . 1 1 39 39 GLU N N 39 125.332 125.332 126.218 -0.886 25636 2913 1 10 . 1 1 39 39 GLU HA H 39 5.186 5.186 4.747 0.439 25636 2914 1 10 . 1 1 39 39 GLU CA C 39 55.531 55.531 55.554 -0.023 25636 2915 1 10 . 1 1 39 39 GLU CB C 39 30.309 30.309 30.378 -0.069 25636 2916 1 10 . 1 1 39 39 GLU H H 39 8.539 8.539 9.036 -0.497 25636 2917 1 10 . 1 1 40 40 VAL N N 40 120.623 120.623 121.155 -0.532 25636 2918 1 10 . 1 1 40 40 VAL HA H 40 5.396 5.396 4.958 0.438 25636 2919 1 10 . 1 1 40 40 VAL CA C 40 58.517 58.517 59.004 -0.487 25636 2920 1 10 . 1 1 40 40 VAL CB C 40 34.287 34.287 34.211 0.076 25636 2921 1 10 . 1 1 40 40 VAL H H 40 8.773 8.773 7.594 1.179 25636 2922 1 10 . 1 1 41 41 GLU N N 41 118.742 118.742 121.951 -3.209 25636 2923 1 10 . 1 1 41 41 GLU HA H 41 4.553 4.553 4.553 -0.000 25636 2924 1 10 . 1 1 41 41 GLU CA C 41 54.359 54.359 54.953 -0.594 25636 2925 1 10 . 1 1 41 41 GLU CB C 41 32.408 32.408 32.139 0.269 25636 2926 1 10 . 1 1 41 41 GLU H H 41 7.973 7.973 8.524 -0.551 25636 2927 1 10 . 1 1 42 42 ALA N N 42 132.540 132.540 128.390 4.150 25636 2928 1 10 . 1 1 42 42 ALA HA H 42 4.662 4.662 4.590 0.073 25636 2929 1 10 . 1 1 42 42 ALA CA C 42 50.446 50.446 51.350 -0.904 25636 2930 1 10 . 1 1 42 42 ALA CB C 42 18.015 18.015 20.006 -1.991 25636 2931 1 10 . 1 1 42 42 ALA H H 42 8.181 8.181 8.460 -0.279 25636 2932 1 10 . 1 1 43 43 LYS N N 43 125.936 125.936 122.462 3.474 25636 2933 1 10 . 1 1 43 43 LYS HA H 43 3.955 3.955 4.497 -0.542 25636 2934 1 10 . 1 1 43 43 LYS CA C 43 59.648 59.648 56.254 3.394 25636 2935 1 10 . 1 1 43 43 LYS CB C 43 34.670 34.670 33.570 1.100 25636 2936 1 10 . 1 1 43 43 LYS H H 43 9.029 9.029 8.658 0.371 25636 2937 1 10 . 1 1 44 44 ASP N N 44 110.443 110.443 116.607 -6.164 25636 2938 1 10 . 1 1 44 44 ASP HA H 44 4.338 4.338 4.662 -0.324 25636 2939 1 10 . 1 1 44 44 ASP CA C 44 53.074 53.074 53.752 -0.677 25636 2940 1 10 . 1 1 44 44 ASP CB C 44 41.337 41.337 42.287 -0.950 25636 2941 1 10 . 1 1 44 44 ASP H H 44 7.463 7.463 7.708 -0.245 25636 2942 1 10 . 1 1 45 45 GLN N N 45 112.575 112.575 117.518 -4.943 25636 2943 1 10 . 1 1 45 45 GLN HA H 45 4.064 4.064 3.968 0.096 25636 2944 1 10 . 1 1 45 45 GLN CA C 45 57.663 57.663 58.235 -0.572 25636 2945 1 10 . 1 1 45 45 GLN CB C 45 28.047 28.047 28.878 -0.831 25636 2946 1 10 . 1 1 45 45 GLN H H 45 8.370 8.370 8.362 0.008 25636 2947 1 10 . 1 1 46 46 ASN N N 46 117.659 117.659 119.325 -1.666 25636 2948 1 10 . 1 1 46 46 ASN HA H 46 4.536 4.536 4.769 -0.233 25636 2949 1 10 . 1 1 46 46 ASN CA C 46 55.271 55.271 52.880 2.391 25636 2950 1 10 . 1 1 46 46 ASN CB C 46 38.046 38.046 37.314 0.732 25636 2951 1 10 . 1 1 46 46 ASN H H 46 8.704 8.704 8.246 0.458 25636 2952 1 10 . 1 1 47 47 CYS N N 47 112.520 112.520 122.797 -10.277 25636 2953 1 10 . 1 1 47 47 CYS HA H 47 4.397 4.397 4.662 -0.265 25636 2954 1 10 . 1 1 47 47 CYS CA C 47 55.075 55.075 58.490 -3.415 25636 2955 1 10 . 1 1 47 47 CYS CB C 47 36.199 36.199 29.004 7.195 25636 2956 1 10 . 1 1 47 47 CYS H H 47 8.486 8.486 7.973 0.513 25636 2957 1 10 . 1 1 48 48 LYS N N 48 116.117 116.117 123.724 -7.607 25636 2958 1 10 . 1 1 48 48 LYS HA H 48 4.130 4.130 4.636 -0.506 25636 2959 1 10 . 1 1 48 48 LYS CA C 48 56.865 56.865 55.357 1.508 25636 2960 1 10 . 1 1 48 48 LYS CB C 48 32.180 32.180 34.027 -1.847 25636 2961 1 10 . 1 1 48 48 LYS H H 48 7.970 7.970 8.384 -0.414 25636 2962 1 10 . 1 1 49 49 VAL N N 49 126.872 126.872 117.255 9.617 25636 2963 1 10 . 1 1 49 49 VAL HA H 49 3.632 3.632 4.555 -0.923 25636 2964 1 10 . 1 1 49 49 VAL CA C 49 64.782 64.782 61.827 2.955 25636 2965 1 10 . 1 1 49 49 VAL CB C 49 30.317 30.317 31.960 -1.643 25636 2966 1 10 . 1 1 49 49 VAL H H 49 8.951 8.951 8.225 0.726 25636 2967 1 10 . 1 1 50 50 ILE N N 50 132.487 132.487 126.502 5.985 25636 2968 1 10 . 1 1 50 50 ILE HA H 50 4.135 4.135 4.657 -0.522 25636 2969 1 10 . 1 1 50 50 ILE CA C 50 60.535 60.535 60.589 -0.054 25636 2970 1 10 . 1 1 50 50 ILE CB C 50 41.659 41.659 41.906 -0.247 25636 2971 1 10 . 1 1 50 50 ILE H H 50 8.666 8.666 7.988 0.678 25636 2972 1 10 . 1 1 51 51 LEU N N 51 125.179 125.179 123.696 1.483 25636 2973 1 10 . 1 1 51 51 LEU HA H 51 5.250 5.250 5.319 -0.069 25636 2974 1 10 . 1 1 51 51 LEU CA C 51 53.245 53.245 53.492 -0.247 25636 2975 1 10 . 1 1 51 51 LEU CB C 51 41.146 41.146 43.803 -2.657 25636 2976 1 10 . 1 1 51 51 LEU H H 51 8.789 8.789 8.245 0.544 25636 2977 1 10 . 1 1 52 52 THR N N 52 115.511 115.511 115.029 0.482 25636 2978 1 10 . 1 1 52 52 THR HA H 52 4.079 4.079 4.347 -0.268 25636 2979 1 10 . 1 1 52 52 THR CA C 52 63.822 63.822 62.895 0.927 25636 2980 1 10 . 1 1 52 52 THR CB C 52 68.335 68.335 68.971 -0.636 25636 2981 1 10 . 1 1 52 52 THR H H 52 8.528 8.528 8.499 0.029 25636 2982 1 10 . 1 1 53 53 ASN N N 53 116.941 116.941 120.248 -3.307 25636 2983 1 10 . 1 1 53 53 ASN HA H 53 4.514 4.514 4.856 -0.342 25636 2984 1 10 . 1 1 53 53 ASN CA C 53 52.740 52.740 52.056 0.684 25636 2985 1 10 . 1 1 53 53 ASN CB C 53 37.314 37.314 38.083 -0.769 25636 2986 1 10 . 1 1 53 53 ASN H H 53 8.149 8.149 8.041 0.108 25636 2987 1 10 . 1 1 54 54 GLY N N 54 106.580 106.580 106.403 0.177 25636 2988 1 10 . 1 1 54 54 GLY CA C 54 45.735 45.735 45.979 -0.244 25636 2989 1 10 . 1 1 54 54 GLY H H 54 7.949 7.949 8.532 -0.583 25636 2990 1 10 . 1 1 55 55 LYS N N 55 120.679 120.679 118.409 2.270 25636 2991 1 10 . 1 1 55 55 LYS HA H 55 4.251 4.251 4.610 -0.359 25636 2992 1 10 . 1 1 55 55 LYS CA C 55 55.848 55.848 54.739 1.109 25636 2993 1 10 . 1 1 55 55 LYS CB C 55 32.595 32.595 35.627 -3.032 25636 2994 1 10 . 1 1 55 55 LYS H H 55 7.806 7.806 7.842 -0.036 25636 2995 1 10 . 1 1 56 56 GLN N N 56 119.471 119.471 119.320 0.151 25636 2996 1 10 . 1 1 56 56 GLN HA H 56 4.114 4.114 4.720 -0.606 25636 2997 1 10 . 1 1 56 56 GLN CA C 56 55.865 55.865 53.920 1.945 25636 2998 1 10 . 1 1 56 56 GLN CB C 56 29.228 29.228 31.359 -2.131 25636 2999 1 10 . 1 1 56 56 GLN H H 56 8.241 8.241 8.416 -0.175 25636 3000 1 10 . 1 1 57 57 ALA N N 57 129.241 129.241 125.416 3.825 25636 3001 1 10 . 1 1 57 57 ALA HA H 57 4.136 4.136 4.032 0.104 25636 3002 1 10 . 1 1 57 57 ALA CA C 57 50.210 50.210 51.110 -0.900 25636 3003 1 10 . 1 1 57 57 ALA CB C 57 18.056 18.056 17.365 0.691 25636 3004 1 10 . 1 1 57 57 ALA H H 57 8.667 8.667 8.378 0.289 25636 3005 1 10 . 1 1 58 58 PRO HA H 58 4.181 4.181 4.294 -0.113 25636 3006 1 10 . 1 1 58 58 PRO CA C 58 62.162 62.162 61.808 0.354 25636 3007 1 10 . 1 1 58 58 PRO CB C 58 31.226 31.226 31.805 -0.579 25636 3008 1 10 . 1 1 59 59 ASP N N 59 120.839 120.839 116.975 3.864 25636 3009 1 10 . 1 1 59 59 ASP HA H 59 4.151 4.151 4.497 -0.346 25636 3010 1 10 . 1 1 59 59 ASP CA C 59 56.483 56.483 55.273 1.210 25636 3011 1 10 . 1 1 59 59 ASP CB C 59 40.568 40.568 40.944 -0.376 25636 3012 1 10 . 1 1 59 59 ASP H H 59 8.576 8.576 8.477 0.099 25636 3013 1 10 . 1 1 60 60 TRP N N 60 114.095 114.095 117.066 -2.971 25636 3014 1 10 . 1 1 60 60 TRP HA H 60 4.460 4.460 4.821 -0.361 25636 3015 1 10 . 1 1 60 60 TRP CA C 60 54.579 54.579 55.025 -0.446 25636 3016 1 10 . 1 1 60 60 TRP CB C 60 29.366 29.366 28.614 0.751 25636 3017 1 10 . 1 1 60 60 TRP H H 60 6.701 6.701 7.166 -0.465 25636 3018 1 10 . 1 1 61 61 LEU N N 61 123.142 123.142 121.379 1.763 25636 3019 1 10 . 1 1 61 61 LEU HA H 61 4.743 4.743 4.271 0.472 25636 3020 1 10 . 1 1 61 61 LEU CA C 61 54.839 54.839 53.119 1.720 25636 3021 1 10 . 1 1 61 61 LEU CB C 61 42.083 42.083 43.229 -1.146 25636 3022 1 10 . 1 1 61 61 LEU H H 61 6.541 6.541 6.955 -0.414 25636 3023 1 10 . 1 1 62 62 ALA N N 62 131.106 131.106 126.040 5.066 25636 3024 1 10 . 1 1 62 62 ALA HA H 62 4.644 4.644 4.520 0.124 25636 3025 1 10 . 1 1 62 62 ALA CA C 62 50.478 50.478 51.121 -0.643 25636 3026 1 10 . 1 1 62 62 ALA CB C 62 23.434 23.434 21.734 1.700 25636 3027 1 10 . 1 1 62 62 ALA H H 62 8.993 8.993 7.677 1.316 25636 3028 1 10 . 1 1 63 63 ALA N N 63 118.796 118.796 121.477 -2.681 25636 3029 1 10 . 1 1 63 63 ALA HA H 63 5.633 5.633 4.875 0.758 25636 3030 1 10 . 1 1 63 63 ALA CA C 63 51.143 51.143 51.974 -0.831 25636 3031 1 10 . 1 1 63 63 ALA CB C 63 22.490 22.490 21.233 1.257 25636 3032 1 10 . 1 1 63 63 ALA H H 63 8.139 8.139 8.349 -0.210 25636 3033 1 10 . 1 1 64 64 GLU N N 64 116.715 116.715 122.913 -6.198 25636 3034 1 10 . 1 1 64 64 GLU HA H 64 4.902 4.902 5.034 -0.132 25636 3035 1 10 . 1 1 64 64 GLU CA C 64 53.009 53.009 53.220 -0.211 25636 3036 1 10 . 1 1 64 64 GLU CB C 64 32.619 32.619 32.595 0.024 25636 3037 1 10 . 1 1 64 64 GLU H H 64 8.563 8.563 8.106 0.457 25636 3038 1 10 . 1 1 65 65 PRO HA H 65 5.486 5.486 4.709 0.777 25636 3039 1 10 . 1 1 65 65 PRO CA C 65 62.878 62.878 63.002 -0.124 25636 3040 1 10 . 1 1 65 65 PRO CB C 65 32.606 32.606 32.779 -0.173 25636 3041 1 11 . 1 1 2 2 PRO HA H 2 4.386 4.386 4.527 -0.141 25636 3042 1 11 . 1 1 2 2 PRO CA C 2 62.756 62.756 62.184 0.572 25636 3043 1 11 . 1 1 2 2 PRO CB C 2 32.034 32.034 32.573 -0.539 25636 3044 1 11 . 1 1 3 3 ALA N N 3 124.343 124.343 123.646 0.697 25636 3045 1 11 . 1 1 3 3 ALA HA H 3 4.306 4.306 4.380 -0.074 25636 3046 1 11 . 1 1 3 3 ALA CA C 3 52.756 52.756 51.858 0.899 25636 3047 1 11 . 1 1 3 3 ALA CB C 3 19.935 19.935 18.980 0.955 25636 3048 1 11 . 1 1 3 3 ALA H H 3 8.192 8.192 8.258 -0.066 25636 3049 1 11 . 1 1 4 4 ARG N N 4 119.928 119.928 122.603 -2.675 25636 3050 1 11 . 1 1 4 4 ARG HA H 4 4.323 4.323 4.615 -0.292 25636 3051 1 11 . 1 1 4 4 ARG CA C 4 56.231 56.231 54.853 1.378 25636 3052 1 11 . 1 1 4 4 ARG CB C 4 33.629 33.629 33.611 0.018 25636 3053 1 11 . 1 1 4 4 ARG H H 4 9.195 9.195 8.501 0.694 25636 3054 1 11 . 1 1 5 5 PHE N N 5 119.084 119.084 119.366 -0.282 25636 3055 1 11 . 1 1 5 5 PHE HA H 5 5.321 5.321 4.649 0.672 25636 3056 1 11 . 1 1 5 5 PHE CA C 5 56.914 56.914 57.127 -0.213 25636 3057 1 11 . 1 1 5 5 PHE CB C 5 43.554 43.554 43.227 0.327 25636 3058 1 11 . 1 1 5 5 PHE H H 5 9.242 9.242 8.290 0.952 25636 3059 1 11 . 1 1 6 6 CYS N N 6 116.173 116.173 118.566 -2.393 25636 3060 1 11 . 1 1 6 6 CYS HA H 6 5.281 5.281 5.027 0.254 25636 3061 1 11 . 1 1 6 6 CYS CA C 6 54.262 54.262 58.555 -4.293 25636 3062 1 11 . 1 1 6 6 CYS CB C 6 39.730 39.730 30.364 9.366 25636 3063 1 11 . 1 1 6 6 CYS H H 6 9.204 9.204 8.732 0.472 25636 3064 1 11 . 1 1 7 7 VAL N N 7 126.228 126.228 117.669 8.559 25636 3065 1 11 . 1 1 7 7 VAL HA H 7 4.314 4.314 4.779 -0.465 25636 3066 1 11 . 1 1 7 7 VAL CA C 7 60.665 60.665 59.536 1.129 25636 3067 1 11 . 1 1 7 7 VAL CB C 7 32.359 32.359 34.340 -1.981 25636 3068 1 11 . 1 1 7 7 VAL H H 7 9.474 9.474 9.113 0.361 25636 3069 1 11 . 1 1 8 8 TYR N N 8 123.478 123.478 123.299 0.179 25636 3070 1 11 . 1 1 8 8 TYR HA H 8 5.120 5.120 4.738 0.382 25636 3071 1 11 . 1 1 8 8 TYR CA C 8 57.174 57.174 56.486 0.688 25636 3072 1 11 . 1 1 8 8 TYR CB C 8 40.918 40.918 41.588 -0.670 25636 3073 1 11 . 1 1 8 8 TYR H H 8 8.195 8.195 7.724 0.471 25636 3074 1 11 . 1 1 9 9 TYR N N 9 119.745 119.745 122.694 -2.949 25636 3075 1 11 . 1 1 9 9 TYR HA H 9 5.209 5.209 4.714 0.495 25636 3076 1 11 . 1 1 9 9 TYR CA C 9 56.930 56.930 57.006 -0.076 25636 3077 1 11 . 1 1 9 9 TYR CB C 9 44.026 44.026 42.154 1.872 25636 3078 1 11 . 1 1 9 9 TYR H H 9 9.410 9.410 7.849 1.561 25636 3079 1 11 . 1 1 10 10 ASP N N 10 118.515 118.515 118.562 -0.047 25636 3080 1 11 . 1 1 10 10 ASP HA H 10 5.203 5.203 4.992 0.211 25636 3081 1 11 . 1 1 10 10 ASP CA C 10 52.879 52.879 52.786 0.093 25636 3082 1 11 . 1 1 10 10 ASP CB C 10 41.522 41.522 45.140 -3.618 25636 3083 1 11 . 1 1 10 10 ASP H H 10 8.948 8.948 8.577 0.371 25636 3084 1 11 . 1 1 11 11 GLY N N 11 114.853 114.853 108.673 6.180 25636 3085 1 11 . 1 1 11 11 GLY CA C 11 44.213 44.213 46.680 -2.467 25636 3086 1 11 . 1 1 11 11 GLY H H 11 9.014 9.014 8.675 0.339 25636 3087 1 11 . 1 1 12 12 HIS N N 12 114.423 114.423 121.835 -7.412 25636 3088 1 11 . 1 1 12 12 HIS HA H 12 4.415 4.415 4.503 -0.088 25636 3089 1 11 . 1 1 12 12 HIS CA C 12 56.572 56.572 55.285 1.287 25636 3090 1 11 . 1 1 12 12 HIS CB C 12 32.017 32.017 33.327 -1.310 25636 3091 1 11 . 1 1 12 12 HIS H H 12 8.133 8.133 7.827 0.306 25636 3092 1 11 . 1 1 13 13 LEU N N 13 123.763 123.763 124.391 -0.628 25636 3093 1 11 . 1 1 13 13 LEU HA H 13 4.777 4.777 4.231 0.546 25636 3094 1 11 . 1 1 13 13 LEU CA C 13 52.049 52.049 54.513 -2.464 25636 3095 1 11 . 1 1 13 13 LEU CB C 13 41.569 41.569 41.818 -0.249 25636 3096 1 11 . 1 1 13 13 LEU H H 13 8.385 8.385 8.847 -0.462 25636 3097 1 11 . 1 1 14 14 PRO HA H 14 3.707 3.707 4.341 -0.634 25636 3098 1 11 . 1 1 14 14 PRO CA C 14 65.579 65.579 64.382 1.197 25636 3099 1 11 . 1 1 14 14 PRO CB C 14 31.895 31.895 31.804 0.091 25636 3100 1 11 . 1 1 15 15 ALA N N 15 115.114 115.114 121.722 -6.608 25636 3101 1 11 . 1 1 15 15 ALA HA H 15 4.149 4.149 4.254 -0.105 25636 3102 1 11 . 1 1 15 15 ALA CA C 15 54.628 54.628 53.917 0.710 25636 3103 1 11 . 1 1 15 15 ALA CB C 15 19.577 19.577 19.178 0.399 25636 3104 1 11 . 1 1 15 15 ALA H H 15 8.162 8.162 8.108 0.054 25636 3105 1 11 . 1 1 16 16 THR N N 16 102.057 102.057 108.750 -6.693 25636 3106 1 11 . 1 1 16 16 THR HA H 16 4.553 4.553 4.406 0.147 25636 3107 1 11 . 1 1 16 16 THR CA C 16 60.331 60.331 60.829 -0.498 25636 3108 1 11 . 1 1 16 16 THR CB C 16 70.574 70.574 69.823 0.751 25636 3109 1 11 . 1 1 16 16 THR H H 16 7.153 7.153 7.534 -0.381 25636 3110 1 11 . 1 1 17 17 ARG N N 17 122.509 122.509 123.081 -0.572 25636 3111 1 11 . 1 1 17 17 ARG HA H 17 4.716 4.716 4.224 0.492 25636 3112 1 11 . 1 1 17 17 ARG CA C 17 56.296 56.296 57.611 -1.315 25636 3113 1 11 . 1 1 17 17 ARG CB C 17 30.021 30.021 30.934 -0.913 25636 3114 1 11 . 1 1 17 17 ARG H H 17 7.901 7.901 7.579 0.322 25636 3115 1 11 . 1 1 18 18 VAL N N 18 122.027 122.027 123.140 -1.113 25636 3116 1 11 . 1 1 18 18 VAL HA H 18 4.293 4.293 4.238 0.055 25636 3117 1 11 . 1 1 18 18 VAL CA C 18 61.462 61.462 61.166 0.296 25636 3118 1 11 . 1 1 18 18 VAL CB C 18 35.247 35.247 33.962 1.285 25636 3119 1 11 . 1 1 18 18 VAL H H 18 8.568 8.568 8.703 -0.135 25636 3120 1 11 . 1 1 19 19 LEU N N 19 130.327 130.327 127.826 2.501 25636 3121 1 11 . 1 1 19 19 LEU HA H 19 3.718 3.718 4.204 -0.486 25636 3122 1 11 . 1 1 19 19 LEU CA C 19 57.467 57.467 55.710 1.757 25636 3123 1 11 . 1 1 19 19 LEU CB C 19 41.862 41.862 42.619 -0.757 25636 3124 1 11 . 1 1 19 19 LEU H H 19 8.670 8.670 8.498 0.172 25636 3125 1 11 . 1 1 20 20 LEU N N 20 126.389 126.389 128.482 -2.093 25636 3126 1 11 . 1 1 20 20 LEU HA H 20 4.588 4.588 4.332 0.256 25636 3127 1 11 . 1 1 20 20 LEU CA C 20 55.873 55.873 56.208 -0.335 25636 3128 1 11 . 1 1 20 20 LEU CB C 20 42.513 42.513 42.751 -0.237 25636 3129 1 11 . 1 1 20 20 LEU H H 20 9.236 9.236 8.223 1.013 25636 3130 1 11 . 1 1 21 21 MET N N 21 114.450 114.450 112.217 2.233 25636 3131 1 11 . 1 1 21 21 MET HA H 21 4.423 4.423 4.573 -0.150 25636 3132 1 11 . 1 1 21 21 MET CA C 21 56.214 56.214 54.852 1.362 25636 3133 1 11 . 1 1 21 21 MET CB C 21 36.964 36.964 36.223 0.741 25636 3134 1 11 . 1 1 21 21 MET H H 21 7.022 7.022 7.552 -0.530 25636 3135 1 11 . 1 1 22 22 TYR N N 22 123.123 123.123 119.996 3.127 25636 3136 1 11 . 1 1 22 22 TYR HA H 22 4.777 4.777 4.589 0.188 25636 3137 1 11 . 1 1 22 22 TYR CA C 22 57.988 57.988 58.275 -0.287 25636 3138 1 11 . 1 1 22 22 TYR CB C 22 39.356 39.356 39.223 0.133 25636 3139 1 11 . 1 1 22 22 TYR H H 22 8.515 8.515 8.596 -0.081 25636 3140 1 11 . 1 1 23 23 VAL N N 23 123.811 123.811 124.073 -0.262 25636 3141 1 11 . 1 1 23 23 VAL HA H 23 4.371 4.371 4.430 -0.059 25636 3142 1 11 . 1 1 23 23 VAL CA C 23 61.503 61.503 61.215 0.288 25636 3143 1 11 . 1 1 23 23 VAL CB C 23 35.418 35.418 33.171 2.247 25636 3144 1 11 . 1 1 23 23 VAL H H 23 9.417 9.417 8.732 0.685 25636 3145 1 11 . 1 1 24 24 ARG N N 24 129.194 129.194 128.019 1.175 25636 3146 1 11 . 1 1 24 24 ARG HA H 24 3.885 3.885 4.313 -0.428 25636 3147 1 11 . 1 1 24 24 ARG CA C 24 56.784 56.784 56.317 0.467 25636 3148 1 11 . 1 1 24 24 ARG CB C 24 30.178 30.178 31.297 -1.119 25636 3149 1 11 . 1 1 24 24 ARG H H 24 8.892 8.892 8.763 0.129 25636 3150 1 11 . 1 1 25 25 ILE N N 25 128.158 128.158 126.595 1.563 25636 3151 1 11 . 1 1 25 25 ILE HA H 25 3.655 3.655 4.009 -0.354 25636 3152 1 11 . 1 1 25 25 ILE CA C 25 64.879 64.879 61.387 3.492 25636 3153 1 11 . 1 1 25 25 ILE CB C 25 37.154 37.154 35.408 1.746 25636 3154 1 11 . 1 1 25 25 ILE H H 25 8.312 8.312 8.352 -0.040 25636 3155 1 11 . 1 1 26 26 GLY N N 26 115.464 115.464 110.290 5.174 25636 3156 1 11 . 1 1 26 26 GLY CA C 26 44.352 44.352 45.247 -0.895 25636 3157 1 11 . 1 1 26 26 GLY H H 26 9.389 9.389 8.239 1.150 25636 3158 1 11 . 1 1 27 27 THR N N 27 111.341 111.341 114.955 -3.614 25636 3159 1 11 . 1 1 27 27 THR HA H 27 4.926 4.926 4.612 0.314 25636 3160 1 11 . 1 1 27 27 THR CA C 27 60.299 60.299 60.459 -0.160 25636 3161 1 11 . 1 1 27 27 THR CB C 27 72.194 72.194 69.809 2.385 25636 3162 1 11 . 1 1 27 27 THR H H 27 7.877 7.877 7.599 0.278 25636 3163 1 11 . 1 1 28 28 THR N N 28 108.952 108.952 116.109 -7.157 25636 3164 1 11 . 1 1 28 28 THR HA H 28 5.353 5.353 4.550 0.803 25636 3165 1 11 . 1 1 28 28 THR CA C 28 59.143 59.143 61.400 -2.257 25636 3166 1 11 . 1 1 28 28 THR CB C 28 71.706 71.706 69.043 2.663 25636 3167 1 11 . 1 1 28 28 THR H H 28 7.732 7.732 8.201 -0.469 25636 3168 1 11 . 1 1 29 29 ALA N N 29 122.383 122.383 129.176 -6.793 25636 3169 1 11 . 1 1 29 29 ALA HA H 29 4.621 4.621 4.677 -0.056 25636 3170 1 11 . 1 1 29 29 ALA CA C 29 51.796 51.796 51.120 0.676 25636 3171 1 11 . 1 1 29 29 ALA CB C 29 24.556 24.556 22.021 2.535 25636 3172 1 11 . 1 1 29 29 ALA H H 29 8.634 8.634 8.385 0.249 25636 3173 1 11 . 1 1 30 30 THR N N 30 115.881 115.881 114.062 1.819 25636 3174 1 11 . 1 1 30 30 THR HA H 30 4.885 4.885 4.884 0.001 25636 3175 1 11 . 1 1 30 30 THR CA C 30 62.300 62.300 61.420 0.879 25636 3176 1 11 . 1 1 30 30 THR CB C 30 69.265 69.265 70.670 -1.405 25636 3177 1 11 . 1 1 30 30 THR H H 30 8.317 8.317 8.123 0.194 25636 3178 1 11 . 1 1 31 31 ILE N N 31 126.005 126.005 124.813 1.192 25636 3179 1 11 . 1 1 31 31 ILE HA H 31 4.388 4.388 4.470 -0.082 25636 3180 1 11 . 1 1 31 31 ILE CA C 31 59.562 59.562 60.238 -0.676 25636 3181 1 11 . 1 1 31 31 ILE CB C 31 40.634 40.634 41.159 -0.525 25636 3182 1 11 . 1 1 31 31 ILE H H 31 9.166 9.166 9.096 0.070 25636 3183 1 11 . 1 1 32 32 THR N N 32 120.162 120.162 122.875 -2.713 25636 3184 1 11 . 1 1 32 32 THR HA H 32 5.300 5.300 5.155 0.145 25636 3185 1 11 . 1 1 32 32 THR CA C 32 60.885 60.885 61.573 -0.688 25636 3186 1 11 . 1 1 32 32 THR CB C 32 69.867 69.867 69.417 0.450 25636 3187 1 11 . 1 1 32 32 THR H H 32 8.441 8.441 8.582 -0.141 25636 3188 1 11 . 1 1 33 33 ALA N N 33 127.525 127.525 127.381 0.144 25636 3189 1 11 . 1 1 33 33 ALA HA H 33 4.644 4.644 4.743 -0.099 25636 3190 1 11 . 1 1 33 33 ALA CA C 33 51.975 51.975 51.919 0.056 25636 3191 1 11 . 1 1 33 33 ALA CB C 33 22.897 22.897 21.480 1.417 25636 3192 1 11 . 1 1 33 33 ALA H H 33 9.130 9.130 8.596 0.534 25636 3193 1 11 . 1 1 34 34 ARG N N 34 118.330 118.330 121.471 -3.141 25636 3194 1 11 . 1 1 34 34 ARG HA H 34 3.814 3.814 4.028 -0.214 25636 3195 1 11 . 1 1 34 34 ARG CA C 34 57.028 57.028 56.893 0.135 25636 3196 1 11 . 1 1 34 34 ARG CB C 34 27.337 27.337 28.201 -0.864 25636 3197 1 11 . 1 1 34 34 ARG H H 34 9.232 9.232 9.221 0.011 25636 3198 1 11 . 1 1 35 35 GLY N N 35 104.002 104.002 103.196 0.806 25636 3199 1 11 . 1 1 35 35 GLY CA C 35 45.368 45.368 45.299 0.069 25636 3200 1 11 . 1 1 35 35 GLY H H 35 8.642 8.642 8.514 0.128 25636 3201 1 11 . 1 1 36 36 HIS N N 36 119.875 119.875 119.190 0.685 25636 3202 1 11 . 1 1 36 36 HIS HA H 36 4.703 4.703 4.840 -0.137 25636 3203 1 11 . 1 1 36 36 HIS CA C 36 54.376 54.376 54.747 -0.371 25636 3204 1 11 . 1 1 36 36 HIS CB C 36 32.880 32.880 33.717 -0.837 25636 3205 1 11 . 1 1 36 36 HIS H H 36 8.188 8.188 8.005 0.183 25636 3206 1 11 . 1 1 37 37 GLU N N 37 119.578 119.578 120.512 -0.934 25636 3207 1 11 . 1 1 37 37 GLU HA H 37 5.018 5.018 4.779 0.239 25636 3208 1 11 . 1 1 37 37 GLU CA C 37 55.092 55.092 54.470 0.622 25636 3209 1 11 . 1 1 37 37 GLU CB C 37 31.863 31.863 30.971 0.892 25636 3210 1 11 . 1 1 37 37 GLU H H 37 7.991 7.991 8.030 -0.039 25636 3211 1 11 . 1 1 38 38 PHE N N 38 121.593 121.593 123.882 -2.289 25636 3212 1 11 . 1 1 38 38 PHE HA H 38 4.755 4.755 4.883 -0.128 25636 3213 1 11 . 1 1 38 38 PHE CA C 38 56.442 56.442 55.528 0.914 25636 3214 1 11 . 1 1 38 38 PHE CB C 38 41.569 41.569 40.931 0.638 25636 3215 1 11 . 1 1 38 38 PHE H H 38 9.149 9.149 9.008 0.141 25636 3216 1 11 . 1 1 39 39 GLU N N 39 125.332 125.332 126.236 -0.904 25636 3217 1 11 . 1 1 39 39 GLU HA H 39 5.186 5.186 4.593 0.593 25636 3218 1 11 . 1 1 39 39 GLU CA C 39 55.531 55.531 55.565 -0.034 25636 3219 1 11 . 1 1 39 39 GLU CB C 39 30.309 30.309 30.875 -0.566 25636 3220 1 11 . 1 1 39 39 GLU H H 39 8.539 8.539 9.065 -0.526 25636 3221 1 11 . 1 1 40 40 VAL N N 40 120.623 120.623 122.324 -1.701 25636 3222 1 11 . 1 1 40 40 VAL HA H 40 5.396 5.396 4.967 0.429 25636 3223 1 11 . 1 1 40 40 VAL CA C 40 58.517 58.517 58.685 -0.168 25636 3224 1 11 . 1 1 40 40 VAL CB C 40 34.287 34.287 34.313 -0.026 25636 3225 1 11 . 1 1 40 40 VAL H H 40 8.773 8.773 7.537 1.236 25636 3226 1 11 . 1 1 41 41 GLU N N 41 118.742 118.742 119.939 -1.197 25636 3227 1 11 . 1 1 41 41 GLU HA H 41 4.553 4.553 4.552 0.001 25636 3228 1 11 . 1 1 41 41 GLU CA C 41 54.359 54.359 55.220 -0.861 25636 3229 1 11 . 1 1 41 41 GLU CB C 41 32.408 32.408 32.457 -0.049 25636 3230 1 11 . 1 1 41 41 GLU H H 41 7.973 7.973 8.525 -0.552 25636 3231 1 11 . 1 1 42 42 ALA N N 42 132.540 132.540 127.942 4.598 25636 3232 1 11 . 1 1 42 42 ALA HA H 42 4.662 4.662 4.627 0.035 25636 3233 1 11 . 1 1 42 42 ALA CA C 42 50.446 50.446 51.288 -0.842 25636 3234 1 11 . 1 1 42 42 ALA CB C 42 18.015 18.015 19.887 -1.872 25636 3235 1 11 . 1 1 42 42 ALA H H 42 8.181 8.181 8.440 -0.259 25636 3236 1 11 . 1 1 43 43 LYS N N 43 125.936 125.936 122.788 3.148 25636 3237 1 11 . 1 1 43 43 LYS HA H 43 3.955 3.955 4.427 -0.472 25636 3238 1 11 . 1 1 43 43 LYS CA C 43 59.648 59.648 56.383 3.265 25636 3239 1 11 . 1 1 43 43 LYS CB C 43 34.670 34.670 33.461 1.209 25636 3240 1 11 . 1 1 43 43 LYS H H 43 9.029 9.029 8.673 0.356 25636 3241 1 11 . 1 1 44 44 ASP N N 44 110.443 110.443 115.953 -5.510 25636 3242 1 11 . 1 1 44 44 ASP HA H 44 4.338 4.338 4.627 -0.289 25636 3243 1 11 . 1 1 44 44 ASP CA C 44 53.074 53.074 53.493 -0.419 25636 3244 1 11 . 1 1 44 44 ASP CB C 44 41.337 41.337 41.352 -0.015 25636 3245 1 11 . 1 1 44 44 ASP H H 44 7.463 7.463 7.567 -0.104 25636 3246 1 11 . 1 1 45 45 GLN N N 45 112.575 112.575 115.121 -2.546 25636 3247 1 11 . 1 1 45 45 GLN HA H 45 4.064 4.064 3.870 0.194 25636 3248 1 11 . 1 1 45 45 GLN CA C 45 57.663 57.663 57.959 -0.296 25636 3249 1 11 . 1 1 45 45 GLN CB C 45 28.047 28.047 28.771 -0.724 25636 3250 1 11 . 1 1 45 45 GLN H H 45 8.370 8.370 8.397 -0.027 25636 3251 1 11 . 1 1 46 46 ASN N N 46 117.659 117.659 119.800 -2.141 25636 3252 1 11 . 1 1 46 46 ASN HA H 46 4.536 4.536 4.724 -0.188 25636 3253 1 11 . 1 1 46 46 ASN CA C 46 55.271 55.271 53.030 2.241 25636 3254 1 11 . 1 1 46 46 ASN CB C 46 38.046 38.046 38.060 -0.014 25636 3255 1 11 . 1 1 46 46 ASN H H 46 8.704 8.704 7.861 0.843 25636 3256 1 11 . 1 1 47 47 CYS N N 47 112.520 112.520 122.931 -10.411 25636 3257 1 11 . 1 1 47 47 CYS HA H 47 4.397 4.397 4.631 -0.234 25636 3258 1 11 . 1 1 47 47 CYS CA C 47 55.075 55.075 58.471 -3.396 25636 3259 1 11 . 1 1 47 47 CYS CB C 47 36.199 36.199 28.950 7.249 25636 3260 1 11 . 1 1 47 47 CYS H H 47 8.486 8.486 7.945 0.541 25636 3261 1 11 . 1 1 48 48 LYS N N 48 116.117 116.117 124.443 -8.326 25636 3262 1 11 . 1 1 48 48 LYS HA H 48 4.130 4.130 4.556 -0.426 25636 3263 1 11 . 1 1 48 48 LYS CA C 48 56.865 56.865 54.779 2.086 25636 3264 1 11 . 1 1 48 48 LYS CB C 48 32.180 32.180 34.682 -2.502 25636 3265 1 11 . 1 1 48 48 LYS H H 48 7.970 7.970 8.418 -0.448 25636 3266 1 11 . 1 1 49 49 VAL N N 49 126.872 126.872 120.303 6.569 25636 3267 1 11 . 1 1 49 49 VAL HA H 49 3.632 3.632 4.063 -0.431 25636 3268 1 11 . 1 1 49 49 VAL CA C 49 64.782 64.782 62.874 1.908 25636 3269 1 11 . 1 1 49 49 VAL CB C 49 30.317 30.317 30.699 -0.382 25636 3270 1 11 . 1 1 49 49 VAL H H 49 8.951 8.951 8.529 0.422 25636 3271 1 11 . 1 1 50 50 ILE N N 50 132.487 132.487 126.235 6.252 25636 3272 1 11 . 1 1 50 50 ILE HA H 50 4.135 4.135 4.468 -0.333 25636 3273 1 11 . 1 1 50 50 ILE CA C 50 60.535 60.535 60.899 -0.364 25636 3274 1 11 . 1 1 50 50 ILE CB C 50 41.659 41.659 41.703 -0.044 25636 3275 1 11 . 1 1 50 50 ILE H H 50 8.666 8.666 7.603 1.063 25636 3276 1 11 . 1 1 51 51 LEU N N 51 125.179 125.179 125.112 0.067 25636 3277 1 11 . 1 1 51 51 LEU HA H 51 5.250 5.250 5.420 -0.170 25636 3278 1 11 . 1 1 51 51 LEU CA C 51 53.245 53.245 53.364 -0.119 25636 3279 1 11 . 1 1 51 51 LEU CB C 51 41.146 41.146 44.858 -3.712 25636 3280 1 11 . 1 1 51 51 LEU H H 51 8.789 8.789 8.296 0.493 25636 3281 1 11 . 1 1 52 52 THR N N 52 115.511 115.511 115.234 0.277 25636 3282 1 11 . 1 1 52 52 THR HA H 52 4.079 4.079 4.366 -0.287 25636 3283 1 11 . 1 1 52 52 THR CA C 52 63.822 63.822 62.036 1.786 25636 3284 1 11 . 1 1 52 52 THR CB C 52 68.335 68.335 68.758 -0.423 25636 3285 1 11 . 1 1 52 52 THR H H 52 8.528 8.528 8.361 0.167 25636 3286 1 11 . 1 1 53 53 ASN N N 53 116.941 116.941 119.578 -2.637 25636 3287 1 11 . 1 1 53 53 ASN HA H 53 4.514 4.514 4.781 -0.267 25636 3288 1 11 . 1 1 53 53 ASN CA C 53 52.740 52.740 52.181 0.559 25636 3289 1 11 . 1 1 53 53 ASN CB C 53 37.314 37.314 37.248 0.066 25636 3290 1 11 . 1 1 53 53 ASN H H 53 8.149 8.149 7.919 0.230 25636 3291 1 11 . 1 1 54 54 GLY N N 54 106.580 106.580 108.141 -1.561 25636 3292 1 11 . 1 1 54 54 GLY CA C 54 45.735 45.735 45.863 -0.128 25636 3293 1 11 . 1 1 54 54 GLY H H 54 7.949 7.949 8.544 -0.595 25636 3294 1 11 . 1 1 55 55 LYS N N 55 120.679 120.679 120.412 0.267 25636 3295 1 11 . 1 1 55 55 LYS HA H 55 4.251 4.251 4.558 -0.307 25636 3296 1 11 . 1 1 55 55 LYS CA C 55 55.848 55.848 55.176 0.672 25636 3297 1 11 . 1 1 55 55 LYS CB C 55 32.595 32.595 34.290 -1.695 25636 3298 1 11 . 1 1 55 55 LYS H H 55 7.806 7.806 7.842 -0.036 25636 3299 1 11 . 1 1 56 56 GLN N N 56 119.471 119.471 122.694 -3.223 25636 3300 1 11 . 1 1 56 56 GLN HA H 56 4.114 4.114 4.108 0.006 25636 3301 1 11 . 1 1 56 56 GLN CA C 56 55.865 55.865 56.248 -0.383 25636 3302 1 11 . 1 1 56 56 GLN CB C 56 29.228 29.228 29.416 -0.188 25636 3303 1 11 . 1 1 56 56 GLN H H 56 8.241 8.241 8.396 -0.155 25636 3304 1 11 . 1 1 57 57 ALA N N 57 129.241 129.241 125.183 4.058 25636 3305 1 11 . 1 1 57 57 ALA HA H 57 4.136 4.136 3.928 0.208 25636 3306 1 11 . 1 1 57 57 ALA CA C 57 50.210 50.210 51.208 -0.998 25636 3307 1 11 . 1 1 57 57 ALA CB C 57 18.056 18.056 17.719 0.337 25636 3308 1 11 . 1 1 57 57 ALA H H 57 8.667 8.667 8.330 0.337 25636 3309 1 11 . 1 1 58 58 PRO HA H 58 4.181 4.181 4.277 -0.096 25636 3310 1 11 . 1 1 58 58 PRO CA C 58 62.162 62.162 61.842 0.320 25636 3311 1 11 . 1 1 58 58 PRO CB C 58 31.226 31.226 31.830 -0.604 25636 3312 1 11 . 1 1 59 59 ASP N N 59 120.839 120.839 116.993 3.846 25636 3313 1 11 . 1 1 59 59 ASP HA H 59 4.151 4.151 4.485 -0.334 25636 3314 1 11 . 1 1 59 59 ASP CA C 59 56.483 56.483 55.386 1.097 25636 3315 1 11 . 1 1 59 59 ASP CB C 59 40.568 40.568 40.995 -0.427 25636 3316 1 11 . 1 1 59 59 ASP H H 59 8.576 8.576 8.462 0.114 25636 3317 1 11 . 1 1 60 60 TRP N N 60 114.095 114.095 117.027 -2.932 25636 3318 1 11 . 1 1 60 60 TRP HA H 60 4.460 4.460 4.829 -0.369 25636 3319 1 11 . 1 1 60 60 TRP CA C 60 54.579 54.579 55.062 -0.483 25636 3320 1 11 . 1 1 60 60 TRP CB C 60 29.366 29.366 28.619 0.747 25636 3321 1 11 . 1 1 60 60 TRP H H 60 6.701 6.701 7.189 -0.488 25636 3322 1 11 . 1 1 61 61 LEU N N 61 123.142 123.142 121.194 1.948 25636 3323 1 11 . 1 1 61 61 LEU HA H 61 4.743 4.743 4.269 0.474 25636 3324 1 11 . 1 1 61 61 LEU CA C 61 54.839 54.839 53.042 1.797 25636 3325 1 11 . 1 1 61 61 LEU CB C 61 42.083 42.083 43.470 -1.387 25636 3326 1 11 . 1 1 61 61 LEU H H 61 6.541 6.541 6.935 -0.394 25636 3327 1 11 . 1 1 62 62 ALA N N 62 131.106 131.106 125.457 5.649 25636 3328 1 11 . 1 1 62 62 ALA HA H 62 4.644 4.644 4.522 0.122 25636 3329 1 11 . 1 1 62 62 ALA CA C 62 50.478 50.478 51.114 -0.636 25636 3330 1 11 . 1 1 62 62 ALA CB C 62 23.434 23.434 21.721 1.712 25636 3331 1 11 . 1 1 62 62 ALA H H 62 8.993 8.993 7.579 1.414 25636 3332 1 11 . 1 1 63 63 ALA N N 63 118.796 118.796 121.775 -2.979 25636 3333 1 11 . 1 1 63 63 ALA HA H 63 5.633 5.633 4.908 0.725 25636 3334 1 11 . 1 1 63 63 ALA CA C 63 51.143 51.143 51.973 -0.830 25636 3335 1 11 . 1 1 63 63 ALA CB C 63 22.490 22.490 20.816 1.674 25636 3336 1 11 . 1 1 63 63 ALA H H 63 8.139 8.139 8.340 -0.201 25636 3337 1 11 . 1 1 64 64 GLU N N 64 116.715 116.715 123.892 -7.177 25636 3338 1 11 . 1 1 64 64 GLU HA H 64 4.902 4.902 4.907 -0.005 25636 3339 1 11 . 1 1 64 64 GLU CA C 64 53.009 53.009 53.136 -0.128 25636 3340 1 11 . 1 1 64 64 GLU CB C 64 32.619 32.619 31.375 1.244 25636 3341 1 11 . 1 1 64 64 GLU H H 64 8.563 8.563 8.186 0.377 25636 3342 1 11 . 1 1 65 65 PRO HA H 65 5.486 5.486 4.404 1.082 25636 3343 1 11 . 1 1 65 65 PRO CA C 65 62.878 62.878 63.171 -0.293 25636 3344 1 11 . 1 1 65 65 PRO CB C 65 32.606 32.606 32.456 0.150 25636 3345 1 12 . 1 1 2 2 PRO HA H 2 4.386 4.386 4.545 -0.159 25636 3346 1 12 . 1 1 2 2 PRO CA C 2 62.756 62.756 62.230 0.526 25636 3347 1 12 . 1 1 2 2 PRO CB C 2 32.034 32.034 32.399 -0.365 25636 3348 1 12 . 1 1 3 3 ALA N N 3 124.343 124.343 122.721 1.622 25636 3349 1 12 . 1 1 3 3 ALA HA H 3 4.306 4.306 4.265 0.041 25636 3350 1 12 . 1 1 3 3 ALA CA C 3 52.756 52.756 52.504 0.252 25636 3351 1 12 . 1 1 3 3 ALA CB C 3 19.935 19.935 19.503 0.432 25636 3352 1 12 . 1 1 3 3 ALA H H 3 8.192 8.192 8.280 -0.088 25636 3353 1 12 . 1 1 4 4 ARG N N 4 119.928 119.928 119.668 0.260 25636 3354 1 12 . 1 1 4 4 ARG HA H 4 4.323 4.323 4.664 -0.341 25636 3355 1 12 . 1 1 4 4 ARG CA C 4 56.231 56.231 55.171 1.060 25636 3356 1 12 . 1 1 4 4 ARG CB C 4 33.629 33.629 33.587 0.042 25636 3357 1 12 . 1 1 4 4 ARG H H 4 9.195 9.195 8.380 0.815 25636 3358 1 12 . 1 1 5 5 PHE N N 5 119.084 119.084 117.961 1.123 25636 3359 1 12 . 1 1 5 5 PHE HA H 5 5.321 5.321 4.751 0.570 25636 3360 1 12 . 1 1 5 5 PHE CA C 5 56.914 56.914 56.998 -0.084 25636 3361 1 12 . 1 1 5 5 PHE CB C 5 43.554 43.554 43.372 0.182 25636 3362 1 12 . 1 1 5 5 PHE H H 5 9.242 9.242 8.298 0.944 25636 3363 1 12 . 1 1 6 6 CYS N N 6 116.173 116.173 118.517 -2.344 25636 3364 1 12 . 1 1 6 6 CYS HA H 6 5.281 5.281 5.097 0.184 25636 3365 1 12 . 1 1 6 6 CYS CA C 6 54.262 54.262 58.151 -3.889 25636 3366 1 12 . 1 1 6 6 CYS CB C 6 39.730 39.730 29.714 10.016 25636 3367 1 12 . 1 1 6 6 CYS H H 6 9.204 9.204 8.560 0.644 25636 3368 1 12 . 1 1 7 7 VAL N N 7 126.228 126.228 118.330 7.898 25636 3369 1 12 . 1 1 7 7 VAL HA H 7 4.314 4.314 4.777 -0.463 25636 3370 1 12 . 1 1 7 7 VAL CA C 7 60.665 60.665 59.007 1.658 25636 3371 1 12 . 1 1 7 7 VAL CB C 7 32.359 32.359 34.361 -2.002 25636 3372 1 12 . 1 1 7 7 VAL H H 7 9.474 9.474 8.698 0.776 25636 3373 1 12 . 1 1 8 8 TYR N N 8 123.478 123.478 123.280 0.198 25636 3374 1 12 . 1 1 8 8 TYR HA H 8 5.120 5.120 4.817 0.303 25636 3375 1 12 . 1 1 8 8 TYR CA C 8 57.174 57.174 56.512 0.662 25636 3376 1 12 . 1 1 8 8 TYR CB C 8 40.918 40.918 42.023 -1.105 25636 3377 1 12 . 1 1 8 8 TYR H H 8 8.195 8.195 7.744 0.451 25636 3378 1 12 . 1 1 9 9 TYR N N 9 119.745 119.745 122.648 -2.903 25636 3379 1 12 . 1 1 9 9 TYR HA H 9 5.209 5.209 4.776 0.433 25636 3380 1 12 . 1 1 9 9 TYR CA C 9 56.930 56.930 56.926 0.004 25636 3381 1 12 . 1 1 9 9 TYR CB C 9 44.026 44.026 42.319 1.707 25636 3382 1 12 . 1 1 9 9 TYR H H 9 9.410 9.410 7.781 1.629 25636 3383 1 12 . 1 1 10 10 ASP N N 10 118.515 118.515 119.191 -0.676 25636 3384 1 12 . 1 1 10 10 ASP HA H 10 5.203 5.203 4.988 0.215 25636 3385 1 12 . 1 1 10 10 ASP CA C 10 52.879 52.879 52.901 -0.022 25636 3386 1 12 . 1 1 10 10 ASP CB C 10 41.522 41.522 45.321 -3.799 25636 3387 1 12 . 1 1 10 10 ASP H H 10 8.948 8.948 8.466 0.482 25636 3388 1 12 . 1 1 11 11 GLY N N 11 114.853 114.853 108.782 6.071 25636 3389 1 12 . 1 1 11 11 GLY CA C 11 44.213 44.213 46.596 -2.383 25636 3390 1 12 . 1 1 11 11 GLY H H 11 9.014 9.014 8.632 0.382 25636 3391 1 12 . 1 1 12 12 HIS N N 12 114.423 114.423 121.781 -7.358 25636 3392 1 12 . 1 1 12 12 HIS HA H 12 4.415 4.415 4.516 -0.101 25636 3393 1 12 . 1 1 12 12 HIS CA C 12 56.572 56.572 54.759 1.813 25636 3394 1 12 . 1 1 12 12 HIS CB C 12 32.017 32.017 33.525 -1.508 25636 3395 1 12 . 1 1 12 12 HIS H H 12 8.133 8.133 7.865 0.268 25636 3396 1 12 . 1 1 13 13 LEU N N 13 123.763 123.763 124.093 -0.330 25636 3397 1 12 . 1 1 13 13 LEU HA H 13 4.777 4.777 4.249 0.528 25636 3398 1 12 . 1 1 13 13 LEU CA C 13 52.049 52.049 54.481 -2.432 25636 3399 1 12 . 1 1 13 13 LEU CB C 13 41.569 41.569 42.250 -0.681 25636 3400 1 12 . 1 1 13 13 LEU H H 13 8.385 8.385 8.390 -0.005 25636 3401 1 12 . 1 1 14 14 PRO HA H 14 3.707 3.707 4.353 -0.646 25636 3402 1 12 . 1 1 14 14 PRO CA C 14 65.579 65.579 64.359 1.220 25636 3403 1 12 . 1 1 14 14 PRO CB C 14 31.895 31.895 31.756 0.139 25636 3404 1 12 . 1 1 15 15 ALA N N 15 115.114 115.114 121.287 -6.173 25636 3405 1 12 . 1 1 15 15 ALA HA H 15 4.149 4.149 4.242 -0.093 25636 3406 1 12 . 1 1 15 15 ALA CA C 15 54.628 54.628 54.026 0.602 25636 3407 1 12 . 1 1 15 15 ALA CB C 15 19.577 19.577 19.376 0.201 25636 3408 1 12 . 1 1 15 15 ALA H H 15 8.162 8.162 8.197 -0.035 25636 3409 1 12 . 1 1 16 16 THR N N 16 102.057 102.057 112.369 -10.312 25636 3410 1 12 . 1 1 16 16 THR HA H 16 4.553 4.553 4.503 0.050 25636 3411 1 12 . 1 1 16 16 THR CA C 16 60.331 60.331 61.187 -0.856 25636 3412 1 12 . 1 1 16 16 THR CB C 16 70.574 70.574 69.725 0.849 25636 3413 1 12 . 1 1 16 16 THR H H 16 7.153 7.153 7.663 -0.510 25636 3414 1 12 . 1 1 17 17 ARG N N 17 122.509 122.509 123.548 -1.039 25636 3415 1 12 . 1 1 17 17 ARG HA H 17 4.716 4.716 4.329 0.387 25636 3416 1 12 . 1 1 17 17 ARG CA C 17 56.296 56.296 57.920 -1.624 25636 3417 1 12 . 1 1 17 17 ARG CB C 17 30.021 30.021 31.044 -1.023 25636 3418 1 12 . 1 1 17 17 ARG H H 17 7.901 7.901 7.563 0.338 25636 3419 1 12 . 1 1 18 18 VAL N N 18 122.027 122.027 122.771 -0.744 25636 3420 1 12 . 1 1 18 18 VAL HA H 18 4.293 4.293 4.288 0.005 25636 3421 1 12 . 1 1 18 18 VAL CA C 18 61.462 61.462 61.569 -0.107 25636 3422 1 12 . 1 1 18 18 VAL CB C 18 35.247 35.247 34.388 0.859 25636 3423 1 12 . 1 1 18 18 VAL H H 18 8.568 8.568 8.710 -0.142 25636 3424 1 12 . 1 1 19 19 LEU N N 19 130.327 130.327 127.399 2.928 25636 3425 1 12 . 1 1 19 19 LEU HA H 19 3.718 3.718 3.678 0.040 25636 3426 1 12 . 1 1 19 19 LEU CA C 19 57.467 57.467 55.266 2.201 25636 3427 1 12 . 1 1 19 19 LEU CB C 19 41.862 41.862 42.461 -0.599 25636 3428 1 12 . 1 1 19 19 LEU H H 19 8.670 8.670 8.448 0.222 25636 3429 1 12 . 1 1 20 20 LEU N N 20 126.389 126.389 128.271 -1.882 25636 3430 1 12 . 1 1 20 20 LEU HA H 20 4.588 4.588 4.249 0.339 25636 3431 1 12 . 1 1 20 20 LEU CA C 20 55.873 55.873 56.313 -0.440 25636 3432 1 12 . 1 1 20 20 LEU CB C 20 42.513 42.513 42.624 -0.112 25636 3433 1 12 . 1 1 20 20 LEU H H 20 9.236 9.236 8.041 1.195 25636 3434 1 12 . 1 1 21 21 MET N N 21 114.450 114.450 112.012 2.438 25636 3435 1 12 . 1 1 21 21 MET HA H 21 4.423 4.423 4.526 -0.103 25636 3436 1 12 . 1 1 21 21 MET CA C 21 56.214 56.214 54.928 1.286 25636 3437 1 12 . 1 1 21 21 MET CB C 21 36.964 36.964 36.367 0.597 25636 3438 1 12 . 1 1 21 21 MET H H 21 7.022 7.022 7.474 -0.452 25636 3439 1 12 . 1 1 22 22 TYR N N 22 123.123 123.123 120.162 2.961 25636 3440 1 12 . 1 1 22 22 TYR HA H 22 4.777 4.777 4.608 0.169 25636 3441 1 12 . 1 1 22 22 TYR CA C 22 57.988 57.988 58.344 -0.356 25636 3442 1 12 . 1 1 22 22 TYR CB C 22 39.356 39.356 39.139 0.216 25636 3443 1 12 . 1 1 22 22 TYR H H 22 8.515 8.515 8.612 -0.097 25636 3444 1 12 . 1 1 23 23 VAL N N 23 123.811 123.811 126.006 -2.195 25636 3445 1 12 . 1 1 23 23 VAL HA H 23 4.371 4.371 4.373 -0.002 25636 3446 1 12 . 1 1 23 23 VAL CA C 23 61.503 61.503 61.058 0.445 25636 3447 1 12 . 1 1 23 23 VAL CB C 23 35.418 35.418 32.947 2.471 25636 3448 1 12 . 1 1 23 23 VAL H H 23 9.417 9.417 8.789 0.628 25636 3449 1 12 . 1 1 24 24 ARG N N 24 129.194 129.194 128.144 1.050 25636 3450 1 12 . 1 1 24 24 ARG HA H 24 3.885 3.885 4.301 -0.416 25636 3451 1 12 . 1 1 24 24 ARG CA C 24 56.784 56.784 56.241 0.543 25636 3452 1 12 . 1 1 24 24 ARG CB C 24 30.178 30.178 31.279 -1.101 25636 3453 1 12 . 1 1 24 24 ARG H H 24 8.892 8.892 8.775 0.117 25636 3454 1 12 . 1 1 25 25 ILE N N 25 128.158 128.158 126.434 1.724 25636 3455 1 12 . 1 1 25 25 ILE HA H 25 3.655 3.655 4.021 -0.366 25636 3456 1 12 . 1 1 25 25 ILE CA C 25 64.879 64.879 61.343 3.536 25636 3457 1 12 . 1 1 25 25 ILE CB C 25 37.154 37.154 35.439 1.715 25636 3458 1 12 . 1 1 25 25 ILE H H 25 8.312 8.312 8.349 -0.037 25636 3459 1 12 . 1 1 26 26 GLY N N 26 115.464 115.464 110.680 4.784 25636 3460 1 12 . 1 1 26 26 GLY CA C 26 44.352 44.352 45.359 -1.007 25636 3461 1 12 . 1 1 26 26 GLY H H 26 9.389 9.389 8.268 1.121 25636 3462 1 12 . 1 1 27 27 THR N N 27 111.341 111.341 114.647 -3.306 25636 3463 1 12 . 1 1 27 27 THR HA H 27 4.926 4.926 4.570 0.356 25636 3464 1 12 . 1 1 27 27 THR CA C 27 60.299 60.299 60.948 -0.649 25636 3465 1 12 . 1 1 27 27 THR CB C 27 72.194 72.194 70.314 1.881 25636 3466 1 12 . 1 1 27 27 THR H H 27 7.877 7.877 7.542 0.335 25636 3467 1 12 . 1 1 28 28 THR N N 28 108.952 108.952 116.109 -7.157 25636 3468 1 12 . 1 1 28 28 THR HA H 28 5.353 5.353 4.553 0.800 25636 3469 1 12 . 1 1 28 28 THR CA C 28 59.143 59.143 61.207 -2.064 25636 3470 1 12 . 1 1 28 28 THR CB C 28 71.706 71.706 69.051 2.655 25636 3471 1 12 . 1 1 28 28 THR H H 28 7.732 7.732 8.236 -0.504 25636 3472 1 12 . 1 1 29 29 ALA N N 29 122.383 122.383 128.651 -6.268 25636 3473 1 12 . 1 1 29 29 ALA HA H 29 4.621 4.621 4.605 0.016 25636 3474 1 12 . 1 1 29 29 ALA CA C 29 51.796 51.796 51.039 0.757 25636 3475 1 12 . 1 1 29 29 ALA CB C 29 24.556 24.556 21.447 3.109 25636 3476 1 12 . 1 1 29 29 ALA H H 29 8.634 8.634 8.238 0.396 25636 3477 1 12 . 1 1 30 30 THR N N 30 115.881 115.881 113.812 2.069 25636 3478 1 12 . 1 1 30 30 THR HA H 30 4.885 4.885 5.128 -0.243 25636 3479 1 12 . 1 1 30 30 THR CA C 30 62.300 62.300 61.011 1.289 25636 3480 1 12 . 1 1 30 30 THR CB C 30 69.265 69.265 70.921 -1.656 25636 3481 1 12 . 1 1 30 30 THR H H 30 8.317 8.317 8.053 0.264 25636 3482 1 12 . 1 1 31 31 ILE N N 31 126.005 126.005 123.953 2.052 25636 3483 1 12 . 1 1 31 31 ILE HA H 31 4.388 4.388 4.392 -0.004 25636 3484 1 12 . 1 1 31 31 ILE CA C 31 59.562 59.562 60.523 -0.961 25636 3485 1 12 . 1 1 31 31 ILE CB C 31 40.634 40.634 41.176 -0.542 25636 3486 1 12 . 1 1 31 31 ILE H H 31 9.166 9.166 9.026 0.140 25636 3487 1 12 . 1 1 32 32 THR N N 32 120.162 120.162 121.837 -1.675 25636 3488 1 12 . 1 1 32 32 THR HA H 32 5.300 5.300 5.282 0.018 25636 3489 1 12 . 1 1 32 32 THR CA C 32 60.885 60.885 60.492 0.393 25636 3490 1 12 . 1 1 32 32 THR CB C 32 69.867 69.867 69.076 0.790 25636 3491 1 12 . 1 1 32 32 THR H H 32 8.441 8.441 8.542 -0.101 25636 3492 1 12 . 1 1 33 33 ALA N N 33 127.525 127.525 127.702 -0.177 25636 3493 1 12 . 1 1 33 33 ALA HA H 33 4.644 4.644 4.754 -0.110 25636 3494 1 12 . 1 1 33 33 ALA CA C 33 51.975 51.975 51.889 0.086 25636 3495 1 12 . 1 1 33 33 ALA CB C 33 22.897 22.897 21.758 1.139 25636 3496 1 12 . 1 1 33 33 ALA H H 33 9.130 9.130 8.980 0.149 25636 3497 1 12 . 1 1 34 34 ARG N N 34 118.330 118.330 121.745 -3.415 25636 3498 1 12 . 1 1 34 34 ARG HA H 34 3.814 3.814 3.935 -0.121 25636 3499 1 12 . 1 1 34 34 ARG CA C 34 57.028 57.028 56.409 0.619 25636 3500 1 12 . 1 1 34 34 ARG CB C 34 27.337 27.337 28.408 -1.071 25636 3501 1 12 . 1 1 34 34 ARG H H 34 9.232 9.232 9.197 0.035 25636 3502 1 12 . 1 1 35 35 GLY N N 35 104.002 104.002 102.077 1.925 25636 3503 1 12 . 1 1 35 35 GLY CA C 35 45.368 45.368 45.387 -0.019 25636 3504 1 12 . 1 1 35 35 GLY H H 35 8.642 8.642 8.540 0.102 25636 3505 1 12 . 1 1 36 36 HIS N N 36 119.875 119.875 118.826 1.049 25636 3506 1 12 . 1 1 36 36 HIS HA H 36 4.703 4.703 4.628 0.075 25636 3507 1 12 . 1 1 36 36 HIS CA C 36 54.376 54.376 54.542 -0.166 25636 3508 1 12 . 1 1 36 36 HIS CB C 36 32.880 32.880 32.687 0.193 25636 3509 1 12 . 1 1 36 36 HIS H H 36 8.188 8.188 7.992 0.196 25636 3510 1 12 . 1 1 37 37 GLU N N 37 119.578 119.578 123.130 -3.552 25636 3511 1 12 . 1 1 37 37 GLU HA H 37 5.018 5.018 4.866 0.152 25636 3512 1 12 . 1 1 37 37 GLU CA C 37 55.092 55.092 55.532 -0.440 25636 3513 1 12 . 1 1 37 37 GLU CB C 37 31.863 31.863 30.777 1.086 25636 3514 1 12 . 1 1 37 37 GLU H H 37 7.991 7.991 8.646 -0.655 25636 3515 1 12 . 1 1 38 38 PHE N N 38 121.593 121.593 124.521 -2.928 25636 3516 1 12 . 1 1 38 38 PHE HA H 38 4.755 4.755 4.763 -0.008 25636 3517 1 12 . 1 1 38 38 PHE CA C 38 56.442 56.442 56.341 0.101 25636 3518 1 12 . 1 1 38 38 PHE CB C 38 41.569 41.569 41.060 0.509 25636 3519 1 12 . 1 1 38 38 PHE H H 38 9.149 9.149 9.085 0.064 25636 3520 1 12 . 1 1 39 39 GLU N N 39 125.332 125.332 125.897 -0.565 25636 3521 1 12 . 1 1 39 39 GLU HA H 39 5.186 5.186 4.720 0.466 25636 3522 1 12 . 1 1 39 39 GLU CA C 39 55.531 55.531 55.023 0.508 25636 3523 1 12 . 1 1 39 39 GLU CB C 39 30.309 30.309 30.934 -0.625 25636 3524 1 12 . 1 1 39 39 GLU H H 39 8.539 8.539 9.042 -0.503 25636 3525 1 12 . 1 1 40 40 VAL N N 40 120.623 120.623 120.696 -0.073 25636 3526 1 12 . 1 1 40 40 VAL HA H 40 5.396 5.396 4.913 0.483 25636 3527 1 12 . 1 1 40 40 VAL CA C 40 58.517 58.517 58.918 -0.401 25636 3528 1 12 . 1 1 40 40 VAL CB C 40 34.287 34.287 33.698 0.589 25636 3529 1 12 . 1 1 40 40 VAL H H 40 8.773 8.773 7.608 1.165 25636 3530 1 12 . 1 1 41 41 GLU N N 41 118.742 118.742 120.478 -1.736 25636 3531 1 12 . 1 1 41 41 GLU HA H 41 4.553 4.553 4.509 0.044 25636 3532 1 12 . 1 1 41 41 GLU CA C 41 54.359 54.359 55.364 -1.005 25636 3533 1 12 . 1 1 41 41 GLU CB C 41 32.408 32.408 32.158 0.250 25636 3534 1 12 . 1 1 41 41 GLU H H 41 7.973 7.973 8.502 -0.529 25636 3535 1 12 . 1 1 42 42 ALA N N 42 132.540 132.540 128.629 3.911 25636 3536 1 12 . 1 1 42 42 ALA HA H 42 4.662 4.662 4.557 0.105 25636 3537 1 12 . 1 1 42 42 ALA CA C 42 50.446 50.446 51.561 -1.115 25636 3538 1 12 . 1 1 42 42 ALA CB C 42 18.015 18.015 19.707 -1.692 25636 3539 1 12 . 1 1 42 42 ALA H H 42 8.181 8.181 8.471 -0.290 25636 3540 1 12 . 1 1 43 43 LYS N N 43 125.936 125.936 121.871 4.065 25636 3541 1 12 . 1 1 43 43 LYS HA H 43 3.955 3.955 4.512 -0.557 25636 3542 1 12 . 1 1 43 43 LYS CA C 43 59.648 59.648 56.586 3.062 25636 3543 1 12 . 1 1 43 43 LYS CB C 43 34.670 34.670 33.472 1.198 25636 3544 1 12 . 1 1 43 43 LYS H H 43 9.029 9.029 8.831 0.198 25636 3545 1 12 . 1 1 44 44 ASP N N 44 110.443 110.443 116.013 -5.570 25636 3546 1 12 . 1 1 44 44 ASP HA H 44 4.338 4.338 4.613 -0.275 25636 3547 1 12 . 1 1 44 44 ASP CA C 44 53.074 53.074 53.421 -0.347 25636 3548 1 12 . 1 1 44 44 ASP CB C 44 41.337 41.337 41.264 0.073 25636 3549 1 12 . 1 1 44 44 ASP H H 44 7.463 7.463 7.567 -0.104 25636 3550 1 12 . 1 1 45 45 GLN N N 45 112.575 112.575 114.821 -2.246 25636 3551 1 12 . 1 1 45 45 GLN HA H 45 4.064 4.064 3.876 0.188 25636 3552 1 12 . 1 1 45 45 GLN CA C 45 57.663 57.663 58.080 -0.417 25636 3553 1 12 . 1 1 45 45 GLN CB C 45 28.047 28.047 28.637 -0.590 25636 3554 1 12 . 1 1 45 45 GLN H H 45 8.370 8.370 8.395 -0.025 25636 3555 1 12 . 1 1 46 46 ASN N N 46 117.659 117.659 119.625 -1.966 25636 3556 1 12 . 1 1 46 46 ASN HA H 46 4.536 4.536 4.753 -0.217 25636 3557 1 12 . 1 1 46 46 ASN CA C 46 55.271 55.271 52.965 2.306 25636 3558 1 12 . 1 1 46 46 ASN CB C 46 38.046 38.046 37.224 0.822 25636 3559 1 12 . 1 1 46 46 ASN H H 46 8.704 8.704 7.935 0.769 25636 3560 1 12 . 1 1 47 47 CYS N N 47 112.520 112.520 121.196 -8.676 25636 3561 1 12 . 1 1 47 47 CYS HA H 47 4.397 4.397 4.588 -0.191 25636 3562 1 12 . 1 1 47 47 CYS CA C 47 55.075 55.075 58.660 -3.585 25636 3563 1 12 . 1 1 47 47 CYS CB C 47 36.199 36.199 28.883 7.316 25636 3564 1 12 . 1 1 47 47 CYS H H 47 8.486 8.486 7.990 0.496 25636 3565 1 12 . 1 1 48 48 LYS N N 48 116.117 116.117 124.473 -8.356 25636 3566 1 12 . 1 1 48 48 LYS HA H 48 4.130 4.130 4.572 -0.442 25636 3567 1 12 . 1 1 48 48 LYS CA C 48 56.865 56.865 54.815 2.050 25636 3568 1 12 . 1 1 48 48 LYS CB C 48 32.180 32.180 34.701 -2.521 25636 3569 1 12 . 1 1 48 48 LYS H H 48 7.970 7.970 8.413 -0.443 25636 3570 1 12 . 1 1 49 49 VAL N N 49 126.872 126.872 120.253 6.619 25636 3571 1 12 . 1 1 49 49 VAL HA H 49 3.632 3.632 4.038 -0.406 25636 3572 1 12 . 1 1 49 49 VAL CA C 49 64.782 64.782 62.883 1.899 25636 3573 1 12 . 1 1 49 49 VAL CB C 49 30.317 30.317 30.609 -0.292 25636 3574 1 12 . 1 1 49 49 VAL H H 49 8.951 8.951 8.545 0.406 25636 3575 1 12 . 1 1 50 50 ILE N N 50 132.487 132.487 126.202 6.285 25636 3576 1 12 . 1 1 50 50 ILE HA H 50 4.135 4.135 4.456 -0.321 25636 3577 1 12 . 1 1 50 50 ILE CA C 50 60.535 60.535 60.830 -0.295 25636 3578 1 12 . 1 1 50 50 ILE CB C 50 41.659 41.659 41.723 -0.064 25636 3579 1 12 . 1 1 50 50 ILE H H 50 8.666 8.666 7.612 1.054 25636 3580 1 12 . 1 1 51 51 LEU N N 51 125.179 125.179 124.851 0.328 25636 3581 1 12 . 1 1 51 51 LEU HA H 51 5.250 5.250 5.436 -0.186 25636 3582 1 12 . 1 1 51 51 LEU CA C 51 53.245 53.245 53.285 -0.040 25636 3583 1 12 . 1 1 51 51 LEU CB C 51 41.146 41.146 44.722 -3.576 25636 3584 1 12 . 1 1 51 51 LEU H H 51 8.789 8.789 8.298 0.491 25636 3585 1 12 . 1 1 52 52 THR N N 52 115.511 115.511 116.246 -0.735 25636 3586 1 12 . 1 1 52 52 THR HA H 52 4.079 4.079 4.304 -0.225 25636 3587 1 12 . 1 1 52 52 THR CA C 52 63.822 63.822 62.992 0.830 25636 3588 1 12 . 1 1 52 52 THR CB C 52 68.335 68.335 68.764 -0.429 25636 3589 1 12 . 1 1 52 52 THR H H 52 8.528 8.528 8.351 0.177 25636 3590 1 12 . 1 1 53 53 ASN N N 53 116.941 116.941 119.537 -2.596 25636 3591 1 12 . 1 1 53 53 ASN HA H 53 4.514 4.514 4.768 -0.254 25636 3592 1 12 . 1 1 53 53 ASN CA C 53 52.740 52.740 52.079 0.661 25636 3593 1 12 . 1 1 53 53 ASN CB C 53 37.314 37.314 37.142 0.172 25636 3594 1 12 . 1 1 53 53 ASN H H 53 8.149 8.149 7.899 0.250 25636 3595 1 12 . 1 1 54 54 GLY N N 54 106.580 106.580 108.604 -2.024 25636 3596 1 12 . 1 1 54 54 GLY CA C 54 45.735 45.735 45.773 -0.038 25636 3597 1 12 . 1 1 54 54 GLY H H 54 7.949 7.949 8.484 -0.535 25636 3598 1 12 . 1 1 55 55 LYS N N 55 120.679 120.679 120.812 -0.133 25636 3599 1 12 . 1 1 55 55 LYS HA H 55 4.251 4.251 4.504 -0.253 25636 3600 1 12 . 1 1 55 55 LYS CA C 55 55.848 55.848 55.140 0.708 25636 3601 1 12 . 1 1 55 55 LYS CB C 55 32.595 32.595 34.012 -1.417 25636 3602 1 12 . 1 1 55 55 LYS H H 55 7.806 7.806 7.960 -0.154 25636 3603 1 12 . 1 1 56 56 GLN N N 56 119.471 119.471 122.976 -3.505 25636 3604 1 12 . 1 1 56 56 GLN HA H 56 4.114 4.114 4.125 -0.011 25636 3605 1 12 . 1 1 56 56 GLN CA C 56 55.865 55.865 56.143 -0.278 25636 3606 1 12 . 1 1 56 56 GLN CB C 56 29.228 29.228 29.571 -0.343 25636 3607 1 12 . 1 1 56 56 GLN H H 56 8.241 8.241 8.366 -0.125 25636 3608 1 12 . 1 1 57 57 ALA N N 57 129.241 129.241 125.423 3.818 25636 3609 1 12 . 1 1 57 57 ALA HA H 57 4.136 4.136 4.013 0.123 25636 3610 1 12 . 1 1 57 57 ALA CA C 57 50.210 50.210 51.348 -1.138 25636 3611 1 12 . 1 1 57 57 ALA CB C 57 18.056 18.056 17.730 0.326 25636 3612 1 12 . 1 1 57 57 ALA H H 57 8.667 8.667 8.347 0.320 25636 3613 1 12 . 1 1 58 58 PRO HA H 58 4.181 4.181 4.311 -0.130 25636 3614 1 12 . 1 1 58 58 PRO CA C 58 62.162 62.162 61.861 0.301 25636 3615 1 12 . 1 1 58 58 PRO CB C 58 31.226 31.226 31.871 -0.645 25636 3616 1 12 . 1 1 59 59 ASP N N 59 120.839 120.839 116.991 3.848 25636 3617 1 12 . 1 1 59 59 ASP HA H 59 4.151 4.151 4.505 -0.354 25636 3618 1 12 . 1 1 59 59 ASP CA C 59 56.483 56.483 55.344 1.139 25636 3619 1 12 . 1 1 59 59 ASP CB C 59 40.568 40.568 40.986 -0.418 25636 3620 1 12 . 1 1 59 59 ASP H H 59 8.576 8.576 8.498 0.078 25636 3621 1 12 . 1 1 60 60 TRP N N 60 114.095 114.095 116.966 -2.871 25636 3622 1 12 . 1 1 60 60 TRP HA H 60 4.460 4.460 4.862 -0.402 25636 3623 1 12 . 1 1 60 60 TRP CA C 60 54.579 54.579 55.085 -0.506 25636 3624 1 12 . 1 1 60 60 TRP CB C 60 29.366 29.366 28.690 0.676 25636 3625 1 12 . 1 1 60 60 TRP H H 60 6.701 6.701 7.214 -0.513 25636 3626 1 12 . 1 1 61 61 LEU N N 61 123.142 123.142 121.238 1.904 25636 3627 1 12 . 1 1 61 61 LEU HA H 61 4.743 4.743 4.273 0.470 25636 3628 1 12 . 1 1 61 61 LEU CA C 61 54.839 54.839 53.078 1.761 25636 3629 1 12 . 1 1 61 61 LEU CB C 61 42.083 42.083 43.328 -1.245 25636 3630 1 12 . 1 1 61 61 LEU H H 61 6.541 6.541 6.955 -0.414 25636 3631 1 12 . 1 1 62 62 ALA N N 62 131.106 131.106 125.258 5.848 25636 3632 1 12 . 1 1 62 62 ALA HA H 62 4.644 4.644 4.455 0.189 25636 3633 1 12 . 1 1 62 62 ALA CA C 62 50.478 50.478 51.146 -0.668 25636 3634 1 12 . 1 1 62 62 ALA CB C 62 23.434 23.434 22.116 1.318 25636 3635 1 12 . 1 1 62 62 ALA H H 62 8.993 8.993 7.680 1.313 25636 3636 1 12 . 1 1 63 63 ALA N N 63 118.796 118.796 120.981 -2.185 25636 3637 1 12 . 1 1 63 63 ALA HA H 63 5.633 5.633 4.799 0.834 25636 3638 1 12 . 1 1 63 63 ALA CA C 63 51.143 51.143 52.115 -0.972 25636 3639 1 12 . 1 1 63 63 ALA CB C 63 22.490 22.490 21.217 1.273 25636 3640 1 12 . 1 1 63 63 ALA H H 63 8.139 8.139 8.201 -0.062 25636 3641 1 12 . 1 1 64 64 GLU N N 64 116.715 116.715 123.830 -7.115 25636 3642 1 12 . 1 1 64 64 GLU HA H 64 4.902 4.902 4.857 0.045 25636 3643 1 12 . 1 1 64 64 GLU CA C 64 53.009 53.009 53.332 -0.323 25636 3644 1 12 . 1 1 64 64 GLU CB C 64 32.619 32.619 31.306 1.312 25636 3645 1 12 . 1 1 64 64 GLU H H 64 8.563 8.563 8.323 0.240 25636 3646 1 12 . 1 1 65 65 PRO HA H 65 5.486 5.486 4.409 1.077 25636 3647 1 12 . 1 1 65 65 PRO CA C 65 62.878 62.878 63.208 -0.330 25636 3648 1 12 . 1 1 65 65 PRO CB C 65 32.606 32.606 32.483 0.123 25636 3649 1 13 . 1 1 2 2 PRO HA H 2 4.386 4.386 4.433 -0.047 25636 3650 1 13 . 1 1 2 2 PRO CA C 2 62.756 62.756 62.722 0.034 25636 3651 1 13 . 1 1 2 2 PRO CB C 2 32.034 32.034 31.965 0.069 25636 3652 1 13 . 1 1 3 3 ALA N N 3 124.343 124.343 127.785 -3.442 25636 3653 1 13 . 1 1 3 3 ALA HA H 3 4.306 4.306 4.208 0.098 25636 3654 1 13 . 1 1 3 3 ALA CA C 3 52.756 52.756 52.431 0.325 25636 3655 1 13 . 1 1 3 3 ALA CB C 3 19.935 19.935 19.151 0.784 25636 3656 1 13 . 1 1 3 3 ALA H H 3 8.192 8.192 8.321 -0.129 25636 3657 1 13 . 1 1 4 4 ARG N N 4 119.928 119.928 122.384 -2.456 25636 3658 1 13 . 1 1 4 4 ARG HA H 4 4.323 4.323 4.611 -0.288 25636 3659 1 13 . 1 1 4 4 ARG CA C 4 56.231 56.231 54.339 1.892 25636 3660 1 13 . 1 1 4 4 ARG CB C 4 33.629 33.629 33.393 0.236 25636 3661 1 13 . 1 1 4 4 ARG H H 4 9.195 9.195 8.206 0.989 25636 3662 1 13 . 1 1 5 5 PHE N N 5 119.084 119.084 117.762 1.322 25636 3663 1 13 . 1 1 5 5 PHE HA H 5 5.321 5.321 4.744 0.577 25636 3664 1 13 . 1 1 5 5 PHE CA C 5 56.914 56.914 57.601 -0.687 25636 3665 1 13 . 1 1 5 5 PHE CB C 5 43.554 43.554 43.467 0.087 25636 3666 1 13 . 1 1 5 5 PHE H H 5 9.242 9.242 8.529 0.713 25636 3667 1 13 . 1 1 6 6 CYS N N 6 116.173 116.173 117.433 -1.260 25636 3668 1 13 . 1 1 6 6 CYS HA H 6 5.281 5.281 5.023 0.258 25636 3669 1 13 . 1 1 6 6 CYS CA C 6 54.262 54.262 57.897 -3.635 25636 3670 1 13 . 1 1 6 6 CYS CB C 6 39.730 39.730 31.438 8.292 25636 3671 1 13 . 1 1 6 6 CYS H H 6 9.204 9.204 8.582 0.622 25636 3672 1 13 . 1 1 7 7 VAL N N 7 126.228 126.228 115.014 11.214 25636 3673 1 13 . 1 1 7 7 VAL HA H 7 4.314 4.314 4.644 -0.330 25636 3674 1 13 . 1 1 7 7 VAL CA C 7 60.665 60.665 59.556 1.109 25636 3675 1 13 . 1 1 7 7 VAL CB C 7 32.359 32.359 34.303 -1.944 25636 3676 1 13 . 1 1 7 7 VAL H H 7 9.474 9.474 8.605 0.869 25636 3677 1 13 . 1 1 8 8 TYR N N 8 123.478 123.478 121.253 2.225 25636 3678 1 13 . 1 1 8 8 TYR HA H 8 5.120 5.120 4.733 0.387 25636 3679 1 13 . 1 1 8 8 TYR CA C 8 57.174 57.174 56.380 0.794 25636 3680 1 13 . 1 1 8 8 TYR CB C 8 40.918 40.918 42.642 -1.724 25636 3681 1 13 . 1 1 8 8 TYR H H 8 8.195 8.195 7.653 0.542 25636 3682 1 13 . 1 1 9 9 TYR N N 9 119.745 119.745 119.597 0.148 25636 3683 1 13 . 1 1 9 9 TYR HA H 9 5.209 5.209 4.818 0.391 25636 3684 1 13 . 1 1 9 9 TYR CA C 9 56.930 56.930 57.041 -0.111 25636 3685 1 13 . 1 1 9 9 TYR CB C 9 44.026 44.026 42.792 1.234 25636 3686 1 13 . 1 1 9 9 TYR H H 9 9.410 9.410 7.713 1.697 25636 3687 1 13 . 1 1 10 10 ASP N N 10 118.515 118.515 119.000 -0.485 25636 3688 1 13 . 1 1 10 10 ASP HA H 10 5.203 5.203 5.121 0.082 25636 3689 1 13 . 1 1 10 10 ASP CA C 10 52.879 52.879 52.877 0.002 25636 3690 1 13 . 1 1 10 10 ASP CB C 10 41.522 41.522 45.132 -3.610 25636 3691 1 13 . 1 1 10 10 ASP H H 10 8.948 8.948 8.440 0.508 25636 3692 1 13 . 1 1 11 11 GLY N N 11 114.853 114.853 108.842 6.011 25636 3693 1 13 . 1 1 11 11 GLY CA C 11 44.213 44.213 46.809 -2.596 25636 3694 1 13 . 1 1 11 11 GLY H H 11 9.014 9.014 8.889 0.125 25636 3695 1 13 . 1 1 12 12 HIS N N 12 114.423 114.423 123.373 -8.950 25636 3696 1 13 . 1 1 12 12 HIS HA H 12 4.415 4.415 4.454 -0.039 25636 3697 1 13 . 1 1 12 12 HIS CA C 12 56.572 56.572 54.881 1.691 25636 3698 1 13 . 1 1 12 12 HIS CB C 12 32.017 32.017 32.455 -0.438 25636 3699 1 13 . 1 1 12 12 HIS H H 12 8.133 8.133 8.107 0.026 25636 3700 1 13 . 1 1 13 13 LEU N N 13 123.763 123.763 125.287 -1.524 25636 3701 1 13 . 1 1 13 13 LEU HA H 13 4.777 4.777 4.246 0.531 25636 3702 1 13 . 1 1 13 13 LEU CA C 13 52.049 52.049 54.360 -2.311 25636 3703 1 13 . 1 1 13 13 LEU CB C 13 41.569 41.569 42.494 -0.925 25636 3704 1 13 . 1 1 13 13 LEU H H 13 8.385 8.385 8.772 -0.387 25636 3705 1 13 . 1 1 14 14 PRO HA H 14 3.707 3.707 4.147 -0.440 25636 3706 1 13 . 1 1 14 14 PRO CA C 14 65.579 65.579 64.388 1.191 25636 3707 1 13 . 1 1 14 14 PRO CB C 14 31.895 31.895 31.562 0.333 25636 3708 1 13 . 1 1 15 15 ALA N N 15 115.114 115.114 121.695 -6.581 25636 3709 1 13 . 1 1 15 15 ALA HA H 15 4.149 4.149 4.179 -0.030 25636 3710 1 13 . 1 1 15 15 ALA CA C 15 54.628 54.628 53.850 0.778 25636 3711 1 13 . 1 1 15 15 ALA CB C 15 19.577 19.577 19.102 0.475 25636 3712 1 13 . 1 1 15 15 ALA H H 15 8.162 8.162 8.158 0.004 25636 3713 1 13 . 1 1 16 16 THR N N 16 102.057 102.057 110.198 -8.141 25636 3714 1 13 . 1 1 16 16 THR HA H 16 4.553 4.553 4.389 0.164 25636 3715 1 13 . 1 1 16 16 THR CA C 16 60.331 60.331 60.904 -0.573 25636 3716 1 13 . 1 1 16 16 THR CB C 16 70.574 70.574 69.528 1.046 25636 3717 1 13 . 1 1 16 16 THR H H 16 7.153 7.153 7.457 -0.304 25636 3718 1 13 . 1 1 17 17 ARG N N 17 122.509 122.509 122.040 0.469 25636 3719 1 13 . 1 1 17 17 ARG HA H 17 4.716 4.716 3.973 0.743 25636 3720 1 13 . 1 1 17 17 ARG CA C 17 56.296 56.296 57.241 -0.945 25636 3721 1 13 . 1 1 17 17 ARG CB C 17 30.021 30.021 30.749 -0.728 25636 3722 1 13 . 1 1 17 17 ARG H H 17 7.901 7.901 7.517 0.384 25636 3723 1 13 . 1 1 18 18 VAL N N 18 122.027 122.027 121.822 0.205 25636 3724 1 13 . 1 1 18 18 VAL HA H 18 4.293 4.293 4.288 0.005 25636 3725 1 13 . 1 1 18 18 VAL CA C 18 61.462 61.462 61.463 -0.001 25636 3726 1 13 . 1 1 18 18 VAL CB C 18 35.247 35.247 34.524 0.723 25636 3727 1 13 . 1 1 18 18 VAL H H 18 8.568 8.568 8.667 -0.099 25636 3728 1 13 . 1 1 19 19 LEU N N 19 130.327 130.327 126.334 3.993 25636 3729 1 13 . 1 1 19 19 LEU HA H 19 3.718 3.718 4.396 -0.678 25636 3730 1 13 . 1 1 19 19 LEU CA C 19 57.467 57.467 55.022 2.445 25636 3731 1 13 . 1 1 19 19 LEU CB C 19 41.862 41.862 42.798 -0.936 25636 3732 1 13 . 1 1 19 19 LEU H H 19 8.670 8.670 8.557 0.113 25636 3733 1 13 . 1 1 20 20 LEU N N 20 126.389 126.389 128.172 -1.783 25636 3734 1 13 . 1 1 20 20 LEU HA H 20 4.588 4.588 4.331 0.257 25636 3735 1 13 . 1 1 20 20 LEU CA C 20 55.873 55.873 56.477 -0.604 25636 3736 1 13 . 1 1 20 20 LEU CB C 20 42.513 42.513 42.707 -0.194 25636 3737 1 13 . 1 1 20 20 LEU H H 20 9.236 9.236 8.243 0.993 25636 3738 1 13 . 1 1 21 21 MET N N 21 114.450 114.450 111.797 2.653 25636 3739 1 13 . 1 1 21 21 MET HA H 21 4.423 4.423 4.557 -0.134 25636 3740 1 13 . 1 1 21 21 MET CA C 21 56.214 56.214 55.095 1.119 25636 3741 1 13 . 1 1 21 21 MET CB C 21 36.964 36.964 36.208 0.756 25636 3742 1 13 . 1 1 21 21 MET H H 21 7.022 7.022 7.596 -0.574 25636 3743 1 13 . 1 1 22 22 TYR N N 22 123.123 123.123 119.885 3.238 25636 3744 1 13 . 1 1 22 22 TYR HA H 22 4.777 4.777 4.601 0.176 25636 3745 1 13 . 1 1 22 22 TYR CA C 22 57.988 57.988 58.336 -0.347 25636 3746 1 13 . 1 1 22 22 TYR CB C 22 39.356 39.356 39.246 0.110 25636 3747 1 13 . 1 1 22 22 TYR H H 22 8.515 8.515 8.598 -0.083 25636 3748 1 13 . 1 1 23 23 VAL N N 23 123.811 123.811 125.616 -1.805 25636 3749 1 13 . 1 1 23 23 VAL HA H 23 4.371 4.371 4.363 0.008 25636 3750 1 13 . 1 1 23 23 VAL CA C 23 61.503 61.503 61.471 0.032 25636 3751 1 13 . 1 1 23 23 VAL CB C 23 35.418 35.418 33.049 2.369 25636 3752 1 13 . 1 1 23 23 VAL H H 23 9.417 9.417 8.626 0.791 25636 3753 1 13 . 1 1 24 24 ARG N N 24 129.194 129.194 126.930 2.264 25636 3754 1 13 . 1 1 24 24 ARG HA H 24 3.885 3.885 4.536 -0.651 25636 3755 1 13 . 1 1 24 24 ARG CA C 24 56.784 56.784 56.514 0.270 25636 3756 1 13 . 1 1 24 24 ARG CB C 24 30.178 30.178 30.447 -0.269 25636 3757 1 13 . 1 1 24 24 ARG H H 24 8.892 8.892 8.898 -0.006 25636 3758 1 13 . 1 1 25 25 ILE N N 25 128.158 128.158 124.511 3.647 25636 3759 1 13 . 1 1 25 25 ILE HA H 25 3.655 3.655 3.993 -0.338 25636 3760 1 13 . 1 1 25 25 ILE CA C 25 64.879 64.879 61.177 3.702 25636 3761 1 13 . 1 1 25 25 ILE CB C 25 37.154 37.154 35.088 2.066 25636 3762 1 13 . 1 1 25 25 ILE H H 25 8.312 8.312 8.608 -0.296 25636 3763 1 13 . 1 1 26 26 GLY N N 26 115.464 115.464 109.716 5.748 25636 3764 1 13 . 1 1 26 26 GLY CA C 26 44.352 44.352 45.236 -0.884 25636 3765 1 13 . 1 1 26 26 GLY H H 26 9.389 9.389 8.070 1.319 25636 3766 1 13 . 1 1 27 27 THR N N 27 111.341 111.341 115.353 -4.012 25636 3767 1 13 . 1 1 27 27 THR HA H 27 4.926 4.926 4.659 0.267 25636 3768 1 13 . 1 1 27 27 THR CA C 27 60.299 60.299 60.621 -0.322 25636 3769 1 13 . 1 1 27 27 THR CB C 27 72.194 72.194 70.000 2.194 25636 3770 1 13 . 1 1 27 27 THR H H 27 7.877 7.877 7.690 0.187 25636 3771 1 13 . 1 1 28 28 THR N N 28 108.952 108.952 115.632 -6.680 25636 3772 1 13 . 1 1 28 28 THR HA H 28 5.353 5.353 4.539 0.814 25636 3773 1 13 . 1 1 28 28 THR CA C 28 59.143 59.143 61.508 -2.365 25636 3774 1 13 . 1 1 28 28 THR CB C 28 71.706 71.706 69.424 2.281 25636 3775 1 13 . 1 1 28 28 THR H H 28 7.732 7.732 8.249 -0.517 25636 3776 1 13 . 1 1 29 29 ALA N N 29 122.383 122.383 128.985 -6.602 25636 3777 1 13 . 1 1 29 29 ALA HA H 29 4.621 4.621 4.681 -0.060 25636 3778 1 13 . 1 1 29 29 ALA CA C 29 51.796 51.796 51.330 0.466 25636 3779 1 13 . 1 1 29 29 ALA CB C 29 24.556 24.556 21.348 3.208 25636 3780 1 13 . 1 1 29 29 ALA H H 29 8.634 8.634 8.409 0.225 25636 3781 1 13 . 1 1 30 30 THR N N 30 115.881 115.881 113.995 1.886 25636 3782 1 13 . 1 1 30 30 THR HA H 30 4.885 4.885 4.722 0.163 25636 3783 1 13 . 1 1 30 30 THR CA C 30 62.300 62.300 61.474 0.826 25636 3784 1 13 . 1 1 30 30 THR CB C 30 69.265 69.265 70.174 -0.909 25636 3785 1 13 . 1 1 30 30 THR H H 30 8.317 8.317 8.153 0.164 25636 3786 1 13 . 1 1 31 31 ILE N N 31 126.005 126.005 124.563 1.442 25636 3787 1 13 . 1 1 31 31 ILE HA H 31 4.388 4.388 4.374 0.014 25636 3788 1 13 . 1 1 31 31 ILE CA C 31 59.562 59.562 60.412 -0.850 25636 3789 1 13 . 1 1 31 31 ILE CB C 31 40.634 40.634 40.572 0.062 25636 3790 1 13 . 1 1 31 31 ILE H H 31 9.166 9.166 8.902 0.264 25636 3791 1 13 . 1 1 32 32 THR N N 32 120.162 120.162 122.824 -2.662 25636 3792 1 13 . 1 1 32 32 THR HA H 32 5.300 5.300 5.041 0.259 25636 3793 1 13 . 1 1 32 32 THR CA C 32 60.885 60.885 61.176 -0.291 25636 3794 1 13 . 1 1 32 32 THR CB C 32 69.867 69.867 68.726 1.141 25636 3795 1 13 . 1 1 32 32 THR H H 32 8.441 8.441 8.589 -0.148 25636 3796 1 13 . 1 1 33 33 ALA N N 33 127.525 127.525 127.312 0.213 25636 3797 1 13 . 1 1 33 33 ALA HA H 33 4.644 4.644 4.664 -0.020 25636 3798 1 13 . 1 1 33 33 ALA CA C 33 51.975 51.975 51.823 0.152 25636 3799 1 13 . 1 1 33 33 ALA CB C 33 22.897 22.897 21.484 1.413 25636 3800 1 13 . 1 1 33 33 ALA H H 33 9.130 9.130 8.625 0.505 25636 3801 1 13 . 1 1 34 34 ARG N N 34 118.330 118.330 121.018 -2.688 25636 3802 1 13 . 1 1 34 34 ARG HA H 34 3.814 3.814 4.054 -0.240 25636 3803 1 13 . 1 1 34 34 ARG CA C 34 57.028 57.028 56.992 0.035 25636 3804 1 13 . 1 1 34 34 ARG CB C 34 27.337 27.337 28.668 -1.331 25636 3805 1 13 . 1 1 34 34 ARG H H 34 9.232 9.232 9.073 0.159 25636 3806 1 13 . 1 1 35 35 GLY N N 35 104.002 104.002 102.927 1.075 25636 3807 1 13 . 1 1 35 35 GLY CA C 35 45.368 45.368 45.353 0.015 25636 3808 1 13 . 1 1 35 35 GLY H H 35 8.642 8.642 8.559 0.083 25636 3809 1 13 . 1 1 36 36 HIS N N 36 119.875 119.875 116.990 2.885 25636 3810 1 13 . 1 1 36 36 HIS HA H 36 4.703 4.703 4.693 0.010 25636 3811 1 13 . 1 1 36 36 HIS CA C 36 54.376 54.376 54.403 -0.027 25636 3812 1 13 . 1 1 36 36 HIS CB C 36 32.880 32.880 33.548 -0.668 25636 3813 1 13 . 1 1 36 36 HIS H H 36 8.188 8.188 7.603 0.585 25636 3814 1 13 . 1 1 37 37 GLU N N 37 119.578 119.578 120.960 -1.382 25636 3815 1 13 . 1 1 37 37 GLU HA H 37 5.018 5.018 4.952 0.066 25636 3816 1 13 . 1 1 37 37 GLU CA C 37 55.092 55.092 54.620 0.472 25636 3817 1 13 . 1 1 37 37 GLU CB C 37 31.863 31.863 30.406 1.457 25636 3818 1 13 . 1 1 37 37 GLU H H 37 7.991 7.991 8.447 -0.456 25636 3819 1 13 . 1 1 38 38 PHE N N 38 121.593 121.593 124.688 -3.095 25636 3820 1 13 . 1 1 38 38 PHE HA H 38 4.755 4.755 4.754 0.001 25636 3821 1 13 . 1 1 38 38 PHE CA C 38 56.442 56.442 55.630 0.812 25636 3822 1 13 . 1 1 38 38 PHE CB C 38 41.569 41.569 40.115 1.454 25636 3823 1 13 . 1 1 38 38 PHE H H 38 9.149 9.149 8.915 0.234 25636 3824 1 13 . 1 1 39 39 GLU N N 39 125.332 125.332 124.356 0.976 25636 3825 1 13 . 1 1 39 39 GLU HA H 39 5.186 5.186 4.503 0.683 25636 3826 1 13 . 1 1 39 39 GLU CA C 39 55.531 55.531 55.941 -0.410 25636 3827 1 13 . 1 1 39 39 GLU CB C 39 30.309 30.309 30.205 0.104 25636 3828 1 13 . 1 1 39 39 GLU H H 39 8.539 8.539 8.958 -0.419 25636 3829 1 13 . 1 1 40 40 VAL N N 40 120.623 120.623 117.787 2.836 25636 3830 1 13 . 1 1 40 40 VAL HA H 40 5.396 5.396 4.958 0.438 25636 3831 1 13 . 1 1 40 40 VAL CA C 40 58.517 58.517 59.271 -0.754 25636 3832 1 13 . 1 1 40 40 VAL CB C 40 34.287 34.287 36.001 -1.714 25636 3833 1 13 . 1 1 40 40 VAL H H 40 8.773 8.773 7.699 1.074 25636 3834 1 13 . 1 1 41 41 GLU N N 41 118.742 118.742 120.156 -1.414 25636 3835 1 13 . 1 1 41 41 GLU HA H 41 4.553 4.553 4.610 -0.057 25636 3836 1 13 . 1 1 41 41 GLU CA C 41 54.359 54.359 55.448 -1.089 25636 3837 1 13 . 1 1 41 41 GLU CB C 41 32.408 32.408 32.509 -0.101 25636 3838 1 13 . 1 1 41 41 GLU H H 41 7.973 7.973 8.559 -0.586 25636 3839 1 13 . 1 1 42 42 ALA N N 42 132.540 132.540 127.240 5.300 25636 3840 1 13 . 1 1 42 42 ALA HA H 42 4.662 4.662 4.589 0.073 25636 3841 1 13 . 1 1 42 42 ALA CA C 42 50.446 50.446 51.333 -0.887 25636 3842 1 13 . 1 1 42 42 ALA CB C 42 18.015 18.015 19.787 -1.772 25636 3843 1 13 . 1 1 42 42 ALA H H 42 8.181 8.181 8.499 -0.318 25636 3844 1 13 . 1 1 43 43 LYS N N 43 125.936 125.936 122.570 3.366 25636 3845 1 13 . 1 1 43 43 LYS HA H 43 3.955 3.955 4.430 -0.475 25636 3846 1 13 . 1 1 43 43 LYS CA C 43 59.648 59.648 56.264 3.384 25636 3847 1 13 . 1 1 43 43 LYS CB C 43 34.670 34.670 33.270 1.400 25636 3848 1 13 . 1 1 43 43 LYS H H 43 9.029 9.029 8.673 0.356 25636 3849 1 13 . 1 1 44 44 ASP N N 44 110.443 110.443 116.561 -6.118 25636 3850 1 13 . 1 1 44 44 ASP HA H 44 4.338 4.338 4.572 -0.234 25636 3851 1 13 . 1 1 44 44 ASP CA C 44 53.074 53.074 53.314 -0.240 25636 3852 1 13 . 1 1 44 44 ASP CB C 44 41.337 41.337 41.350 -0.013 25636 3853 1 13 . 1 1 44 44 ASP H H 44 7.463 7.463 7.582 -0.119 25636 3854 1 13 . 1 1 45 45 GLN N N 45 112.575 112.575 118.737 -6.162 25636 3855 1 13 . 1 1 45 45 GLN HA H 45 4.064 4.064 4.082 -0.018 25636 3856 1 13 . 1 1 45 45 GLN CA C 45 57.663 57.663 58.550 -0.887 25636 3857 1 13 . 1 1 45 45 GLN CB C 45 28.047 28.047 29.201 -1.154 25636 3858 1 13 . 1 1 45 45 GLN H H 45 8.370 8.370 8.668 -0.298 25636 3859 1 13 . 1 1 46 46 ASN N N 46 117.659 117.659 118.920 -1.261 25636 3860 1 13 . 1 1 46 46 ASN HA H 46 4.536 4.536 4.734 -0.198 25636 3861 1 13 . 1 1 46 46 ASN CA C 46 55.271 55.271 52.958 2.313 25636 3862 1 13 . 1 1 46 46 ASN CB C 46 38.046 38.046 37.237 0.809 25636 3863 1 13 . 1 1 46 46 ASN H H 46 8.704 8.704 8.104 0.600 25636 3864 1 13 . 1 1 47 47 CYS N N 47 112.520 112.520 121.103 -8.583 25636 3865 1 13 . 1 1 47 47 CYS HA H 47 4.397 4.397 4.614 -0.217 25636 3866 1 13 . 1 1 47 47 CYS CA C 47 55.075 55.075 58.764 -3.689 25636 3867 1 13 . 1 1 47 47 CYS CB C 47 36.199 36.199 29.119 7.080 25636 3868 1 13 . 1 1 47 47 CYS H H 47 8.486 8.486 8.016 0.470 25636 3869 1 13 . 1 1 48 48 LYS N N 48 116.117 116.117 124.130 -8.013 25636 3870 1 13 . 1 1 48 48 LYS HA H 48 4.130 4.130 4.569 -0.439 25636 3871 1 13 . 1 1 48 48 LYS CA C 48 56.865 56.865 54.886 1.979 25636 3872 1 13 . 1 1 48 48 LYS CB C 48 32.180 32.180 34.921 -2.741 25636 3873 1 13 . 1 1 48 48 LYS H H 48 7.970 7.970 8.311 -0.341 25636 3874 1 13 . 1 1 49 49 VAL N N 49 126.872 126.872 120.272 6.600 25636 3875 1 13 . 1 1 49 49 VAL HA H 49 3.632 3.632 4.047 -0.415 25636 3876 1 13 . 1 1 49 49 VAL CA C 49 64.782 64.782 63.406 1.376 25636 3877 1 13 . 1 1 49 49 VAL CB C 49 30.317 30.317 31.446 -1.129 25636 3878 1 13 . 1 1 49 49 VAL H H 49 8.951 8.951 8.492 0.459 25636 3879 1 13 . 1 1 50 50 ILE N N 50 132.487 132.487 126.305 6.182 25636 3880 1 13 . 1 1 50 50 ILE HA H 50 4.135 4.135 4.369 -0.234 25636 3881 1 13 . 1 1 50 50 ILE CA C 50 60.535 60.535 60.147 0.388 25636 3882 1 13 . 1 1 50 50 ILE CB C 50 41.659 41.659 41.959 -0.300 25636 3883 1 13 . 1 1 50 50 ILE H H 50 8.666 8.666 7.629 1.037 25636 3884 1 13 . 1 1 51 51 LEU N N 51 125.179 125.179 123.000 2.179 25636 3885 1 13 . 1 1 51 51 LEU HA H 51 5.250 5.250 5.384 -0.134 25636 3886 1 13 . 1 1 51 51 LEU CA C 51 53.245 53.245 53.080 0.165 25636 3887 1 13 . 1 1 51 51 LEU CB C 51 41.146 41.146 44.803 -3.657 25636 3888 1 13 . 1 1 51 51 LEU H H 51 8.789 8.789 8.142 0.647 25636 3889 1 13 . 1 1 52 52 THR N N 52 115.511 115.511 112.497 3.014 25636 3890 1 13 . 1 1 52 52 THR HA H 52 4.079 4.079 4.359 -0.280 25636 3891 1 13 . 1 1 52 52 THR CA C 52 63.822 63.822 63.391 0.431 25636 3892 1 13 . 1 1 52 52 THR CB C 52 68.335 68.335 68.900 -0.565 25636 3893 1 13 . 1 1 52 52 THR H H 52 8.528 8.528 8.708 -0.180 25636 3894 1 13 . 1 1 53 53 ASN N N 53 116.941 116.941 119.575 -2.634 25636 3895 1 13 . 1 1 53 53 ASN HA H 53 4.514 4.514 4.726 -0.212 25636 3896 1 13 . 1 1 53 53 ASN CA C 53 52.740 52.740 51.585 1.155 25636 3897 1 13 . 1 1 53 53 ASN CB C 53 37.314 37.314 36.688 0.626 25636 3898 1 13 . 1 1 53 53 ASN H H 53 8.149 8.149 7.839 0.310 25636 3899 1 13 . 1 1 54 54 GLY N N 54 106.580 106.580 106.675 -0.095 25636 3900 1 13 . 1 1 54 54 GLY CA C 54 45.735 45.735 45.906 -0.171 25636 3901 1 13 . 1 1 54 54 GLY H H 54 7.949 7.949 8.429 -0.480 25636 3902 1 13 . 1 1 55 55 LYS N N 55 120.679 120.679 118.502 2.177 25636 3903 1 13 . 1 1 55 55 LYS HA H 55 4.251 4.251 4.592 -0.341 25636 3904 1 13 . 1 1 55 55 LYS CA C 55 55.848 55.848 54.710 1.138 25636 3905 1 13 . 1 1 55 55 LYS CB C 55 32.595 32.595 35.914 -3.319 25636 3906 1 13 . 1 1 55 55 LYS H H 55 7.806 7.806 7.817 -0.011 25636 3907 1 13 . 1 1 56 56 GLN N N 56 119.471 119.471 119.829 -0.358 25636 3908 1 13 . 1 1 56 56 GLN HA H 56 4.114 4.114 4.562 -0.448 25636 3909 1 13 . 1 1 56 56 GLN CA C 56 55.865 55.865 54.065 1.800 25636 3910 1 13 . 1 1 56 56 GLN CB C 56 29.228 29.228 31.942 -2.714 25636 3911 1 13 . 1 1 56 56 GLN H H 56 8.241 8.241 8.400 -0.159 25636 3912 1 13 . 1 1 57 57 ALA N N 57 129.241 129.241 125.621 3.620 25636 3913 1 13 . 1 1 57 57 ALA HA H 57 4.136 4.136 4.039 0.097 25636 3914 1 13 . 1 1 57 57 ALA CA C 57 50.210 50.210 50.892 -0.682 25636 3915 1 13 . 1 1 57 57 ALA CB C 57 18.056 18.056 17.461 0.595 25636 3916 1 13 . 1 1 57 57 ALA H H 57 8.667 8.667 8.353 0.314 25636 3917 1 13 . 1 1 58 58 PRO HA H 58 4.181 4.181 4.361 -0.180 25636 3918 1 13 . 1 1 58 58 PRO CA C 58 62.162 62.162 61.946 0.216 25636 3919 1 13 . 1 1 58 58 PRO CB C 58 31.226 31.226 32.106 -0.880 25636 3920 1 13 . 1 1 59 59 ASP N N 59 120.839 120.839 117.464 3.375 25636 3921 1 13 . 1 1 59 59 ASP HA H 59 4.151 4.151 4.479 -0.328 25636 3922 1 13 . 1 1 59 59 ASP CA C 59 56.483 56.483 55.764 0.719 25636 3923 1 13 . 1 1 59 59 ASP CB C 59 40.568 40.568 40.941 -0.373 25636 3924 1 13 . 1 1 59 59 ASP H H 59 8.576 8.576 8.584 -0.008 25636 3925 1 13 . 1 1 60 60 TRP N N 60 114.095 114.095 116.901 -2.806 25636 3926 1 13 . 1 1 60 60 TRP HA H 60 4.460 4.460 4.779 -0.319 25636 3927 1 13 . 1 1 60 60 TRP CA C 60 54.579 54.579 55.413 -0.834 25636 3928 1 13 . 1 1 60 60 TRP CB C 60 29.366 29.366 28.769 0.597 25636 3929 1 13 . 1 1 60 60 TRP H H 60 6.701 6.701 7.583 -0.882 25636 3930 1 13 . 1 1 61 61 LEU N N 61 123.142 123.142 121.253 1.889 25636 3931 1 13 . 1 1 61 61 LEU HA H 61 4.743 4.743 4.222 0.521 25636 3932 1 13 . 1 1 61 61 LEU CA C 61 54.839 54.839 53.079 1.760 25636 3933 1 13 . 1 1 61 61 LEU CB C 61 42.083 42.083 42.845 -0.762 25636 3934 1 13 . 1 1 61 61 LEU H H 61 6.541 6.541 6.887 -0.346 25636 3935 1 13 . 1 1 62 62 ALA N N 62 131.106 131.106 126.078 5.028 25636 3936 1 13 . 1 1 62 62 ALA HA H 62 4.644 4.644 4.520 0.124 25636 3937 1 13 . 1 1 62 62 ALA CA C 62 50.478 50.478 50.939 -0.461 25636 3938 1 13 . 1 1 62 62 ALA CB C 62 23.434 23.434 21.900 1.534 25636 3939 1 13 . 1 1 62 62 ALA H H 62 8.993 8.993 7.680 1.313 25636 3940 1 13 . 1 1 63 63 ALA N N 63 118.796 118.796 121.303 -2.507 25636 3941 1 13 . 1 1 63 63 ALA HA H 63 5.633 5.633 4.762 0.871 25636 3942 1 13 . 1 1 63 63 ALA CA C 63 51.143 51.143 51.976 -0.833 25636 3943 1 13 . 1 1 63 63 ALA CB C 63 22.490 22.490 21.304 1.186 25636 3944 1 13 . 1 1 63 63 ALA H H 63 8.139 8.139 8.241 -0.102 25636 3945 1 13 . 1 1 64 64 GLU N N 64 116.715 116.715 123.325 -6.610 25636 3946 1 13 . 1 1 64 64 GLU HA H 64 4.902 4.902 4.967 -0.065 25636 3947 1 13 . 1 1 64 64 GLU CA C 64 53.009 53.009 53.171 -0.162 25636 3948 1 13 . 1 1 64 64 GLU CB C 64 32.619 32.619 31.475 1.144 25636 3949 1 13 . 1 1 64 64 GLU H H 64 8.563 8.563 8.092 0.471 25636 3950 1 13 . 1 1 65 65 PRO HA H 65 5.486 5.486 4.503 0.983 25636 3951 1 13 . 1 1 65 65 PRO CA C 65 62.878 62.878 62.902 -0.024 25636 3952 1 13 . 1 1 65 65 PRO CB C 65 32.606 32.606 32.363 0.243 25636 3953 1 14 . 1 1 2 2 PRO HA H 2 4.386 4.386 4.512 -0.126 25636 3954 1 14 . 1 1 2 2 PRO CA C 2 62.756 62.756 62.649 0.107 25636 3955 1 14 . 1 1 2 2 PRO CB C 2 32.034 32.034 32.375 -0.341 25636 3956 1 14 . 1 1 3 3 ALA N N 3 124.343 124.343 125.094 -0.751 25636 3957 1 14 . 1 1 3 3 ALA HA H 3 4.306 4.306 4.405 -0.099 25636 3958 1 14 . 1 1 3 3 ALA CA C 3 52.756 52.756 52.327 0.429 25636 3959 1 14 . 1 1 3 3 ALA CB C 3 19.935 19.935 19.637 0.298 25636 3960 1 14 . 1 1 3 3 ALA H H 3 8.192 8.192 8.315 -0.123 25636 3961 1 14 . 1 1 4 4 ARG N N 4 119.928 119.928 121.523 -1.595 25636 3962 1 14 . 1 1 4 4 ARG HA H 4 4.323 4.323 4.637 -0.314 25636 3963 1 14 . 1 1 4 4 ARG CA C 4 56.231 56.231 55.523 0.708 25636 3964 1 14 . 1 1 4 4 ARG CB C 4 33.629 33.629 32.131 1.498 25636 3965 1 14 . 1 1 4 4 ARG H H 4 9.195 9.195 8.273 0.922 25636 3966 1 14 . 1 1 5 5 PHE N N 5 119.084 119.084 121.485 -2.401 25636 3967 1 14 . 1 1 5 5 PHE HA H 5 5.321 5.321 4.818 0.503 25636 3968 1 14 . 1 1 5 5 PHE CA C 5 56.914 56.914 57.169 -0.255 25636 3969 1 14 . 1 1 5 5 PHE CB C 5 43.554 43.554 43.160 0.394 25636 3970 1 14 . 1 1 5 5 PHE H H 5 9.242 9.242 8.518 0.724 25636 3971 1 14 . 1 1 6 6 CYS N N 6 116.173 116.173 119.509 -3.336 25636 3972 1 14 . 1 1 6 6 CYS HA H 6 5.281 5.281 4.966 0.315 25636 3973 1 14 . 1 1 6 6 CYS CA C 6 54.262 54.262 58.205 -3.942 25636 3974 1 14 . 1 1 6 6 CYS CB C 6 39.730 39.730 30.928 8.802 25636 3975 1 14 . 1 1 6 6 CYS H H 6 9.204 9.204 8.550 0.654 25636 3976 1 14 . 1 1 7 7 VAL N N 7 126.228 126.228 119.521 6.707 25636 3977 1 14 . 1 1 7 7 VAL HA H 7 4.314 4.314 4.384 -0.070 25636 3978 1 14 . 1 1 7 7 VAL CA C 7 60.665 60.665 60.863 -0.198 25636 3979 1 14 . 1 1 7 7 VAL CB C 7 32.359 32.359 35.319 -2.960 25636 3980 1 14 . 1 1 7 7 VAL H H 7 9.474 9.474 9.054 0.420 25636 3981 1 14 . 1 1 8 8 TYR N N 8 123.478 123.478 124.121 -0.643 25636 3982 1 14 . 1 1 8 8 TYR HA H 8 5.120 5.120 4.768 0.352 25636 3983 1 14 . 1 1 8 8 TYR CA C 8 57.174 57.174 56.585 0.589 25636 3984 1 14 . 1 1 8 8 TYR CB C 8 40.918 40.918 41.888 -0.970 25636 3985 1 14 . 1 1 8 8 TYR H H 8 8.195 8.195 7.855 0.340 25636 3986 1 14 . 1 1 9 9 TYR N N 9 119.745 119.745 121.671 -1.926 25636 3987 1 14 . 1 1 9 9 TYR HA H 9 5.209 5.209 4.769 0.440 25636 3988 1 14 . 1 1 9 9 TYR CA C 9 56.930 56.930 56.874 0.056 25636 3989 1 14 . 1 1 9 9 TYR CB C 9 44.026 44.026 42.870 1.156 25636 3990 1 14 . 1 1 9 9 TYR H H 9 9.410 9.410 7.781 1.629 25636 3991 1 14 . 1 1 10 10 ASP N N 10 118.515 118.515 118.735 -0.220 25636 3992 1 14 . 1 1 10 10 ASP HA H 10 5.203 5.203 5.074 0.129 25636 3993 1 14 . 1 1 10 10 ASP CA C 10 52.879 52.879 52.829 0.050 25636 3994 1 14 . 1 1 10 10 ASP CB C 10 41.522 41.522 45.081 -3.559 25636 3995 1 14 . 1 1 10 10 ASP H H 10 8.948 8.948 8.468 0.480 25636 3996 1 14 . 1 1 11 11 GLY N N 11 114.853 114.853 109.336 5.517 25636 3997 1 14 . 1 1 11 11 GLY CA C 11 44.213 44.213 46.756 -2.543 25636 3998 1 14 . 1 1 11 11 GLY H H 11 9.014 9.014 8.625 0.389 25636 3999 1 14 . 1 1 12 12 HIS N N 12 114.423 114.423 121.848 -7.425 25636 4000 1 14 . 1 1 12 12 HIS HA H 12 4.415 4.415 4.506 -0.091 25636 4001 1 14 . 1 1 12 12 HIS CA C 12 56.572 56.572 54.722 1.850 25636 4002 1 14 . 1 1 12 12 HIS CB C 12 32.017 32.017 33.432 -1.415 25636 4003 1 14 . 1 1 12 12 HIS H H 12 8.133 8.133 7.959 0.174 25636 4004 1 14 . 1 1 13 13 LEU N N 13 123.763 123.763 125.076 -1.313 25636 4005 1 14 . 1 1 13 13 LEU HA H 13 4.777 4.777 4.227 0.550 25636 4006 1 14 . 1 1 13 13 LEU CA C 13 52.049 52.049 54.243 -2.194 25636 4007 1 14 . 1 1 13 13 LEU CB C 13 41.569 41.569 42.318 -0.749 25636 4008 1 14 . 1 1 13 13 LEU H H 13 8.385 8.385 8.422 -0.037 25636 4009 1 14 . 1 1 14 14 PRO HA H 14 3.707 3.707 4.332 -0.625 25636 4010 1 14 . 1 1 14 14 PRO CA C 14 65.579 65.579 64.023 1.556 25636 4011 1 14 . 1 1 14 14 PRO CB C 14 31.895 31.895 31.947 -0.052 25636 4012 1 14 . 1 1 15 15 ALA N N 15 115.114 115.114 121.313 -6.199 25636 4013 1 14 . 1 1 15 15 ALA HA H 15 4.149 4.149 4.223 -0.074 25636 4014 1 14 . 1 1 15 15 ALA CA C 15 54.628 54.628 54.218 0.410 25636 4015 1 14 . 1 1 15 15 ALA CB C 15 19.577 19.577 19.253 0.324 25636 4016 1 14 . 1 1 15 15 ALA H H 15 8.162 8.162 8.108 0.054 25636 4017 1 14 . 1 1 16 16 THR N N 16 102.057 102.057 111.924 -9.867 25636 4018 1 14 . 1 1 16 16 THR HA H 16 4.553 4.553 4.575 -0.022 25636 4019 1 14 . 1 1 16 16 THR CA C 16 60.331 60.331 61.011 -0.680 25636 4020 1 14 . 1 1 16 16 THR CB C 16 70.574 70.574 69.491 1.083 25636 4021 1 14 . 1 1 16 16 THR H H 16 7.153 7.153 7.558 -0.405 25636 4022 1 14 . 1 1 17 17 ARG N N 17 122.509 122.509 122.993 -0.484 25636 4023 1 14 . 1 1 17 17 ARG HA H 17 4.716 4.716 4.343 0.373 25636 4024 1 14 . 1 1 17 17 ARG CA C 17 56.296 56.296 56.995 -0.699 25636 4025 1 14 . 1 1 17 17 ARG CB C 17 30.021 30.021 30.749 -0.728 25636 4026 1 14 . 1 1 17 17 ARG H H 17 7.901 7.901 7.586 0.315 25636 4027 1 14 . 1 1 18 18 VAL N N 18 122.027 122.027 120.867 1.160 25636 4028 1 14 . 1 1 18 18 VAL HA H 18 4.293 4.293 4.290 0.003 25636 4029 1 14 . 1 1 18 18 VAL CA C 18 61.462 61.462 61.486 -0.023 25636 4030 1 14 . 1 1 18 18 VAL CB C 18 35.247 35.247 33.894 1.353 25636 4031 1 14 . 1 1 18 18 VAL H H 18 8.568 8.568 8.660 -0.092 25636 4032 1 14 . 1 1 19 19 LEU N N 19 130.327 130.327 127.418 2.909 25636 4033 1 14 . 1 1 19 19 LEU HA H 19 3.718 3.718 4.032 -0.314 25636 4034 1 14 . 1 1 19 19 LEU CA C 19 57.467 57.467 55.225 2.242 25636 4035 1 14 . 1 1 19 19 LEU CB C 19 41.862 41.862 42.554 -0.692 25636 4036 1 14 . 1 1 19 19 LEU H H 19 8.670 8.670 8.541 0.129 25636 4037 1 14 . 1 1 20 20 LEU N N 20 126.389 126.389 128.882 -2.493 25636 4038 1 14 . 1 1 20 20 LEU HA H 20 4.588 4.588 4.273 0.315 25636 4039 1 14 . 1 1 20 20 LEU CA C 20 55.873 55.873 56.430 -0.557 25636 4040 1 14 . 1 1 20 20 LEU CB C 20 42.513 42.513 42.670 -0.157 25636 4041 1 14 . 1 1 20 20 LEU H H 20 9.236 9.236 8.086 1.150 25636 4042 1 14 . 1 1 21 21 MET N N 21 114.450 114.450 112.076 2.374 25636 4043 1 14 . 1 1 21 21 MET HA H 21 4.423 4.423 4.636 -0.213 25636 4044 1 14 . 1 1 21 21 MET CA C 21 56.214 56.214 54.753 1.461 25636 4045 1 14 . 1 1 21 21 MET CB C 21 36.964 36.964 36.409 0.555 25636 4046 1 14 . 1 1 21 21 MET H H 21 7.022 7.022 7.544 -0.522 25636 4047 1 14 . 1 1 22 22 TYR N N 22 123.123 123.123 120.165 2.958 25636 4048 1 14 . 1 1 22 22 TYR HA H 22 4.777 4.777 4.657 0.120 25636 4049 1 14 . 1 1 22 22 TYR CA C 22 57.988 57.988 58.267 -0.279 25636 4050 1 14 . 1 1 22 22 TYR CB C 22 39.356 39.356 39.474 -0.118 25636 4051 1 14 . 1 1 22 22 TYR H H 22 8.515 8.515 8.668 -0.153 25636 4052 1 14 . 1 1 23 23 VAL N N 23 123.811 123.811 122.951 0.860 25636 4053 1 14 . 1 1 23 23 VAL HA H 23 4.371 4.371 4.470 -0.099 25636 4054 1 14 . 1 1 23 23 VAL CA C 23 61.503 61.503 61.305 0.198 25636 4055 1 14 . 1 1 23 23 VAL CB C 23 35.418 35.418 33.281 2.137 25636 4056 1 14 . 1 1 23 23 VAL H H 23 9.417 9.417 8.949 0.468 25636 4057 1 14 . 1 1 24 24 ARG N N 24 129.194 129.194 126.409 2.785 25636 4058 1 14 . 1 1 24 24 ARG HA H 24 3.885 3.885 4.349 -0.464 25636 4059 1 14 . 1 1 24 24 ARG CA C 24 56.784 56.784 55.985 0.799 25636 4060 1 14 . 1 1 24 24 ARG CB C 24 30.178 30.178 30.868 -0.690 25636 4061 1 14 . 1 1 24 24 ARG H H 24 8.892 8.892 8.888 0.004 25636 4062 1 14 . 1 1 25 25 ILE N N 25 128.158 128.158 124.345 3.813 25636 4063 1 14 . 1 1 25 25 ILE HA H 25 3.655 3.655 4.130 -0.475 25636 4064 1 14 . 1 1 25 25 ILE CA C 25 64.879 64.879 60.007 4.872 25636 4065 1 14 . 1 1 25 25 ILE CB C 25 37.154 37.154 34.153 3.001 25636 4066 1 14 . 1 1 25 25 ILE H H 25 8.312 8.312 8.594 -0.282 25636 4067 1 14 . 1 1 26 26 GLY N N 26 115.464 115.464 111.709 3.755 25636 4068 1 14 . 1 1 26 26 GLY CA C 26 44.352 44.352 45.703 -1.351 25636 4069 1 14 . 1 1 26 26 GLY H H 26 9.389 9.389 8.316 1.073 25636 4070 1 14 . 1 1 27 27 THR N N 27 111.341 111.341 115.464 -4.123 25636 4071 1 14 . 1 1 27 27 THR HA H 27 4.926 4.926 4.638 0.288 25636 4072 1 14 . 1 1 27 27 THR CA C 27 60.299 60.299 60.791 -0.492 25636 4073 1 14 . 1 1 27 27 THR CB C 27 72.194 72.194 70.011 2.183 25636 4074 1 14 . 1 1 27 27 THR H H 27 7.877 7.877 7.665 0.212 25636 4075 1 14 . 1 1 28 28 THR N N 28 108.952 108.952 115.735 -6.783 25636 4076 1 14 . 1 1 28 28 THR HA H 28 5.353 5.353 4.522 0.831 25636 4077 1 14 . 1 1 28 28 THR CA C 28 59.143 59.143 61.448 -2.305 25636 4078 1 14 . 1 1 28 28 THR CB C 28 71.706 71.706 69.518 2.188 25636 4079 1 14 . 1 1 28 28 THR H H 28 7.732 7.732 8.252 -0.520 25636 4080 1 14 . 1 1 29 29 ALA N N 29 122.383 122.383 129.392 -7.009 25636 4081 1 14 . 1 1 29 29 ALA HA H 29 4.621 4.621 4.690 -0.069 25636 4082 1 14 . 1 1 29 29 ALA CA C 29 51.796 51.796 51.005 0.791 25636 4083 1 14 . 1 1 29 29 ALA CB C 29 24.556 24.556 21.747 2.809 25636 4084 1 14 . 1 1 29 29 ALA H H 29 8.634 8.634 8.543 0.091 25636 4085 1 14 . 1 1 30 30 THR N N 30 115.881 115.881 114.425 1.456 25636 4086 1 14 . 1 1 30 30 THR HA H 30 4.885 4.885 4.712 0.173 25636 4087 1 14 . 1 1 30 30 THR CA C 30 62.300 62.300 61.623 0.677 25636 4088 1 14 . 1 1 30 30 THR CB C 30 69.265 69.265 70.498 -1.233 25636 4089 1 14 . 1 1 30 30 THR H H 30 8.317 8.317 8.083 0.234 25636 4090 1 14 . 1 1 31 31 ILE N N 31 126.005 126.005 125.369 0.636 25636 4091 1 14 . 1 1 31 31 ILE HA H 31 4.388 4.388 4.402 -0.014 25636 4092 1 14 . 1 1 31 31 ILE CA C 31 59.562 59.562 60.197 -0.635 25636 4093 1 14 . 1 1 31 31 ILE CB C 31 40.634 40.634 40.155 0.479 25636 4094 1 14 . 1 1 31 31 ILE H H 31 9.166 9.166 8.770 0.396 25636 4095 1 14 . 1 1 32 32 THR N N 32 120.162 120.162 121.703 -1.541 25636 4096 1 14 . 1 1 32 32 THR HA H 32 5.300 5.300 4.735 0.565 25636 4097 1 14 . 1 1 32 32 THR CA C 32 60.885 60.885 60.480 0.405 25636 4098 1 14 . 1 1 32 32 THR CB C 32 69.867 69.867 68.675 1.192 25636 4099 1 14 . 1 1 32 32 THR H H 32 8.441 8.441 8.621 -0.180 25636 4100 1 14 . 1 1 33 33 ALA N N 33 127.525 127.525 127.525 0.000 25636 4101 1 14 . 1 1 33 33 ALA HA H 33 4.644 4.644 4.622 0.022 25636 4102 1 14 . 1 1 33 33 ALA CA C 33 51.975 51.975 52.016 -0.041 25636 4103 1 14 . 1 1 33 33 ALA CB C 33 22.897 22.897 21.879 1.018 25636 4104 1 14 . 1 1 33 33 ALA H H 33 9.130 9.130 8.727 0.403 25636 4105 1 14 . 1 1 34 34 ARG N N 34 118.330 118.330 121.611 -3.281 25636 4106 1 14 . 1 1 34 34 ARG HA H 34 3.814 3.814 3.993 -0.179 25636 4107 1 14 . 1 1 34 34 ARG CA C 34 57.028 57.028 56.830 0.198 25636 4108 1 14 . 1 1 34 34 ARG CB C 34 27.337 27.337 27.818 -0.481 25636 4109 1 14 . 1 1 34 34 ARG H H 34 9.232 9.232 9.240 -0.008 25636 4110 1 14 . 1 1 35 35 GLY N N 35 104.002 104.002 103.076 0.926 25636 4111 1 14 . 1 1 35 35 GLY CA C 35 45.368 45.368 45.409 -0.041 25636 4112 1 14 . 1 1 35 35 GLY H H 35 8.642 8.642 8.477 0.165 25636 4113 1 14 . 1 1 36 36 HIS N N 36 119.875 119.875 118.897 0.978 25636 4114 1 14 . 1 1 36 36 HIS HA H 36 4.703 4.703 4.675 0.028 25636 4115 1 14 . 1 1 36 36 HIS CA C 36 54.376 54.376 53.970 0.406 25636 4116 1 14 . 1 1 36 36 HIS CB C 36 32.880 32.880 32.481 0.399 25636 4117 1 14 . 1 1 36 36 HIS H H 36 8.188 8.188 7.900 0.288 25636 4118 1 14 . 1 1 37 37 GLU N N 37 119.578 119.578 123.191 -3.613 25636 4119 1 14 . 1 1 37 37 GLU HA H 37 5.018 5.018 4.749 0.269 25636 4120 1 14 . 1 1 37 37 GLU CA C 37 55.092 55.092 54.907 0.185 25636 4121 1 14 . 1 1 37 37 GLU CB C 37 31.863 31.863 30.628 1.235 25636 4122 1 14 . 1 1 37 37 GLU H H 37 7.991 7.991 8.557 -0.566 25636 4123 1 14 . 1 1 38 38 PHE N N 38 121.593 121.593 123.397 -1.804 25636 4124 1 14 . 1 1 38 38 PHE HA H 38 4.755 4.755 4.749 0.006 25636 4125 1 14 . 1 1 38 38 PHE CA C 38 56.442 56.442 56.170 0.272 25636 4126 1 14 . 1 1 38 38 PHE CB C 38 41.569 41.569 41.064 0.505 25636 4127 1 14 . 1 1 38 38 PHE H H 38 9.149 9.149 9.015 0.134 25636 4128 1 14 . 1 1 39 39 GLU N N 39 125.332 125.332 126.438 -1.106 25636 4129 1 14 . 1 1 39 39 GLU HA H 39 5.186 5.186 4.528 0.658 25636 4130 1 14 . 1 1 39 39 GLU CA C 39 55.531 55.531 55.190 0.341 25636 4131 1 14 . 1 1 39 39 GLU CB C 39 30.309 30.309 30.482 -0.173 25636 4132 1 14 . 1 1 39 39 GLU H H 39 8.539 8.539 9.017 -0.478 25636 4133 1 14 . 1 1 40 40 VAL N N 40 120.623 120.623 121.419 -0.796 25636 4134 1 14 . 1 1 40 40 VAL HA H 40 5.396 5.396 4.835 0.561 25636 4135 1 14 . 1 1 40 40 VAL CA C 40 58.517 58.517 59.614 -1.097 25636 4136 1 14 . 1 1 40 40 VAL CB C 40 34.287 34.287 33.984 0.303 25636 4137 1 14 . 1 1 40 40 VAL H H 40 8.773 8.773 7.738 1.035 25636 4138 1 14 . 1 1 41 41 GLU N N 41 118.742 118.742 123.064 -4.322 25636 4139 1 14 . 1 1 41 41 GLU HA H 41 4.553 4.553 4.535 0.018 25636 4140 1 14 . 1 1 41 41 GLU CA C 41 54.359 54.359 55.092 -0.733 25636 4141 1 14 . 1 1 41 41 GLU CB C 41 32.408 32.408 31.438 0.970 25636 4142 1 14 . 1 1 41 41 GLU H H 41 7.973 7.973 8.571 -0.598 25636 4143 1 14 . 1 1 42 42 ALA N N 42 132.540 132.540 127.893 4.647 25636 4144 1 14 . 1 1 42 42 ALA HA H 42 4.662 4.662 4.576 0.086 25636 4145 1 14 . 1 1 42 42 ALA CA C 42 50.446 50.446 51.261 -0.815 25636 4146 1 14 . 1 1 42 42 ALA CB C 42 18.015 18.015 19.687 -1.672 25636 4147 1 14 . 1 1 42 42 ALA H H 42 8.181 8.181 8.619 -0.438 25636 4148 1 14 . 1 1 43 43 LYS N N 43 125.936 125.936 122.721 3.215 25636 4149 1 14 . 1 1 43 43 LYS HA H 43 3.955 3.955 4.431 -0.476 25636 4150 1 14 . 1 1 43 43 LYS CA C 43 59.648 59.648 56.110 3.538 25636 4151 1 14 . 1 1 43 43 LYS CB C 43 34.670 34.670 33.544 1.126 25636 4152 1 14 . 1 1 43 43 LYS H H 43 9.029 9.029 8.690 0.339 25636 4153 1 14 . 1 1 44 44 ASP N N 44 110.443 110.443 116.458 -6.015 25636 4154 1 14 . 1 1 44 44 ASP HA H 44 4.338 4.338 4.602 -0.264 25636 4155 1 14 . 1 1 44 44 ASP CA C 44 53.074 53.074 53.586 -0.512 25636 4156 1 14 . 1 1 44 44 ASP CB C 44 41.337 41.337 40.879 0.459 25636 4157 1 14 . 1 1 44 44 ASP H H 44 7.463 7.463 7.546 -0.083 25636 4158 1 14 . 1 1 45 45 GLN N N 45 112.575 112.575 114.450 -1.875 25636 4159 1 14 . 1 1 45 45 GLN HA H 45 4.064 4.064 3.947 0.117 25636 4160 1 14 . 1 1 45 45 GLN CA C 45 57.663 57.663 58.071 -0.408 25636 4161 1 14 . 1 1 45 45 GLN CB C 45 28.047 28.047 28.805 -0.758 25636 4162 1 14 . 1 1 45 45 GLN H H 45 8.370 8.370 8.454 -0.084 25636 4163 1 14 . 1 1 46 46 ASN N N 46 117.659 117.659 119.749 -2.090 25636 4164 1 14 . 1 1 46 46 ASN HA H 46 4.536 4.536 4.784 -0.248 25636 4165 1 14 . 1 1 46 46 ASN CA C 46 55.271 55.271 53.426 1.845 25636 4166 1 14 . 1 1 46 46 ASN CB C 46 38.046 38.046 37.983 0.063 25636 4167 1 14 . 1 1 46 46 ASN H H 46 8.704 8.704 7.922 0.782 25636 4168 1 14 . 1 1 47 47 CYS N N 47 112.520 112.520 120.966 -8.446 25636 4169 1 14 . 1 1 47 47 CYS HA H 47 4.397 4.397 4.616 -0.219 25636 4170 1 14 . 1 1 47 47 CYS CA C 47 55.075 55.075 58.479 -3.404 25636 4171 1 14 . 1 1 47 47 CYS CB C 47 36.199 36.199 28.791 7.408 25636 4172 1 14 . 1 1 47 47 CYS H H 47 8.486 8.486 7.981 0.505 25636 4173 1 14 . 1 1 48 48 LYS N N 48 116.117 116.117 124.133 -8.016 25636 4174 1 14 . 1 1 48 48 LYS HA H 48 4.130 4.130 4.567 -0.437 25636 4175 1 14 . 1 1 48 48 LYS CA C 48 56.865 56.865 54.854 2.011 25636 4176 1 14 . 1 1 48 48 LYS CB C 48 32.180 32.180 34.498 -2.318 25636 4177 1 14 . 1 1 48 48 LYS H H 48 7.970 7.970 8.431 -0.461 25636 4178 1 14 . 1 1 49 49 VAL N N 49 126.872 126.872 120.804 6.068 25636 4179 1 14 . 1 1 49 49 VAL HA H 49 3.632 3.632 4.051 -0.419 25636 4180 1 14 . 1 1 49 49 VAL CA C 49 64.782 64.782 62.460 2.322 25636 4181 1 14 . 1 1 49 49 VAL CB C 49 30.317 30.317 30.448 -0.131 25636 4182 1 14 . 1 1 49 49 VAL H H 49 8.951 8.951 8.558 0.393 25636 4183 1 14 . 1 1 50 50 ILE N N 50 132.487 132.487 127.009 5.478 25636 4184 1 14 . 1 1 50 50 ILE HA H 50 4.135 4.135 4.362 -0.227 25636 4185 1 14 . 1 1 50 50 ILE CA C 50 60.535 60.535 60.508 0.028 25636 4186 1 14 . 1 1 50 50 ILE CB C 50 41.659 41.659 42.127 -0.468 25636 4187 1 14 . 1 1 50 50 ILE H H 50 8.666 8.666 7.729 0.937 25636 4188 1 14 . 1 1 51 51 LEU N N 51 125.179 125.179 124.657 0.522 25636 4189 1 14 . 1 1 51 51 LEU HA H 51 5.250 5.250 5.354 -0.104 25636 4190 1 14 . 1 1 51 51 LEU CA C 51 53.245 53.245 53.367 -0.122 25636 4191 1 14 . 1 1 51 51 LEU CB C 51 41.146 41.146 44.509 -3.363 25636 4192 1 14 . 1 1 51 51 LEU H H 51 8.789 8.789 8.612 0.177 25636 4193 1 14 . 1 1 52 52 THR N N 52 115.511 115.511 114.419 1.092 25636 4194 1 14 . 1 1 52 52 THR HA H 52 4.079 4.079 4.225 -0.146 25636 4195 1 14 . 1 1 52 52 THR CA C 52 63.822 63.822 64.126 -0.304 25636 4196 1 14 . 1 1 52 52 THR CB C 52 68.335 68.335 68.840 -0.505 25636 4197 1 14 . 1 1 52 52 THR H H 52 8.528 8.528 8.661 -0.133 25636 4198 1 14 . 1 1 53 53 ASN N N 53 116.941 116.941 119.086 -2.145 25636 4199 1 14 . 1 1 53 53 ASN HA H 53 4.514 4.514 4.828 -0.314 25636 4200 1 14 . 1 1 53 53 ASN CA C 53 52.740 52.740 52.613 0.127 25636 4201 1 14 . 1 1 53 53 ASN CB C 53 37.314 37.314 37.050 0.264 25636 4202 1 14 . 1 1 53 53 ASN H H 53 8.149 8.149 7.876 0.273 25636 4203 1 14 . 1 1 54 54 GLY N N 54 106.580 106.580 108.646 -2.066 25636 4204 1 14 . 1 1 54 54 GLY CA C 54 45.735 45.735 46.078 -0.343 25636 4205 1 14 . 1 1 54 54 GLY H H 54 7.949 7.949 7.856 0.093 25636 4206 1 14 . 1 1 55 55 LYS N N 55 120.679 120.679 119.808 0.871 25636 4207 1 14 . 1 1 55 55 LYS HA H 55 4.251 4.251 4.576 -0.325 25636 4208 1 14 . 1 1 55 55 LYS CA C 55 55.848 55.848 55.044 0.804 25636 4209 1 14 . 1 1 55 55 LYS CB C 55 32.595 32.595 34.798 -2.203 25636 4210 1 14 . 1 1 55 55 LYS H H 55 7.806 7.806 7.647 0.159 25636 4211 1 14 . 1 1 56 56 GLN N N 56 119.471 119.471 119.080 0.391 25636 4212 1 14 . 1 1 56 56 GLN HA H 56 4.114 4.114 4.491 -0.377 25636 4213 1 14 . 1 1 56 56 GLN CA C 56 55.865 55.865 54.378 1.487 25636 4214 1 14 . 1 1 56 56 GLN CB C 56 29.228 29.228 30.768 -1.540 25636 4215 1 14 . 1 1 56 56 GLN H H 56 8.241 8.241 8.463 -0.222 25636 4216 1 14 . 1 1 57 57 ALA N N 57 129.241 129.241 127.493 1.748 25636 4217 1 14 . 1 1 57 57 ALA HA H 57 4.136 4.136 4.000 0.136 25636 4218 1 14 . 1 1 57 57 ALA CA C 57 50.210 50.210 50.887 -0.677 25636 4219 1 14 . 1 1 57 57 ALA CB C 57 18.056 18.056 17.472 0.584 25636 4220 1 14 . 1 1 57 57 ALA H H 57 8.667 8.667 8.353 0.314 25636 4221 1 14 . 1 1 58 58 PRO HA H 58 4.181 4.181 4.284 -0.103 25636 4222 1 14 . 1 1 58 58 PRO CA C 58 62.162 62.162 61.714 0.448 25636 4223 1 14 . 1 1 58 58 PRO CB C 58 31.226 31.226 31.797 -0.571 25636 4224 1 14 . 1 1 59 59 ASP N N 59 120.839 120.839 117.199 3.640 25636 4225 1 14 . 1 1 59 59 ASP HA H 59 4.151 4.151 4.521 -0.370 25636 4226 1 14 . 1 1 59 59 ASP CA C 59 56.483 56.483 55.369 1.114 25636 4227 1 14 . 1 1 59 59 ASP CB C 59 40.568 40.568 40.931 -0.363 25636 4228 1 14 . 1 1 59 59 ASP H H 59 8.576 8.576 8.543 0.034 25636 4229 1 14 . 1 1 60 60 TRP N N 60 114.095 114.095 117.120 -3.025 25636 4230 1 14 . 1 1 60 60 TRP HA H 60 4.460 4.460 4.860 -0.400 25636 4231 1 14 . 1 1 60 60 TRP CA C 60 54.579 54.579 55.086 -0.507 25636 4232 1 14 . 1 1 60 60 TRP CB C 60 29.366 29.366 28.764 0.602 25636 4233 1 14 . 1 1 60 60 TRP H H 60 6.701 6.701 7.219 -0.518 25636 4234 1 14 . 1 1 61 61 LEU N N 61 123.142 123.142 121.491 1.651 25636 4235 1 14 . 1 1 61 61 LEU HA H 61 4.743 4.743 4.315 0.428 25636 4236 1 14 . 1 1 61 61 LEU CA C 61 54.839 54.839 53.127 1.712 25636 4237 1 14 . 1 1 61 61 LEU CB C 61 42.083 42.083 43.227 -1.144 25636 4238 1 14 . 1 1 61 61 LEU H H 61 6.541 6.541 6.951 -0.410 25636 4239 1 14 . 1 1 62 62 ALA N N 62 131.106 131.106 126.655 4.451 25636 4240 1 14 . 1 1 62 62 ALA HA H 62 4.644 4.644 4.494 0.150 25636 4241 1 14 . 1 1 62 62 ALA CA C 62 50.478 50.478 51.177 -0.699 25636 4242 1 14 . 1 1 62 62 ALA CB C 62 23.434 23.434 21.698 1.736 25636 4243 1 14 . 1 1 62 62 ALA H H 62 8.993 8.993 7.620 1.373 25636 4244 1 14 . 1 1 63 63 ALA N N 63 118.796 118.796 121.499 -2.703 25636 4245 1 14 . 1 1 63 63 ALA HA H 63 5.633 5.633 4.893 0.740 25636 4246 1 14 . 1 1 63 63 ALA CA C 63 51.143 51.143 51.944 -0.801 25636 4247 1 14 . 1 1 63 63 ALA CB C 63 22.490 22.490 20.917 1.573 25636 4248 1 14 . 1 1 63 63 ALA H H 63 8.139 8.139 8.285 -0.146 25636 4249 1 14 . 1 1 64 64 GLU N N 64 116.715 116.715 123.829 -7.114 25636 4250 1 14 . 1 1 64 64 GLU HA H 64 4.902 4.902 4.927 -0.025 25636 4251 1 14 . 1 1 64 64 GLU CA C 64 53.009 53.009 53.310 -0.301 25636 4252 1 14 . 1 1 64 64 GLU CB C 64 32.619 32.619 31.025 1.594 25636 4253 1 14 . 1 1 64 64 GLU H H 64 8.563 8.563 8.138 0.425 25636 4254 1 14 . 1 1 65 65 PRO HA H 65 5.486 5.486 4.510 0.976 25636 4255 1 14 . 1 1 65 65 PRO CA C 65 62.878 62.878 62.980 -0.102 25636 4256 1 14 . 1 1 65 65 PRO CB C 65 32.606 32.606 32.571 0.035 25636 4257 1 15 . 1 1 2 2 PRO HA H 2 4.386 4.386 4.507 -0.121 25636 4258 1 15 . 1 1 2 2 PRO CA C 2 62.756 62.756 62.774 -0.018 25636 4259 1 15 . 1 1 2 2 PRO CB C 2 32.034 32.034 32.671 -0.637 25636 4260 1 15 . 1 1 3 3 ALA N N 3 124.343 124.343 125.082 -0.739 25636 4261 1 15 . 1 1 3 3 ALA HA H 3 4.306 4.306 4.373 -0.067 25636 4262 1 15 . 1 1 3 3 ALA CA C 3 52.756 52.756 52.090 0.666 25636 4263 1 15 . 1 1 3 3 ALA CB C 3 19.935 19.935 19.530 0.405 25636 4264 1 15 . 1 1 3 3 ALA H H 3 8.192 8.192 8.279 -0.087 25636 4265 1 15 . 1 1 4 4 ARG N N 4 119.928 119.928 122.468 -2.540 25636 4266 1 15 . 1 1 4 4 ARG HA H 4 4.323 4.323 4.694 -0.371 25636 4267 1 15 . 1 1 4 4 ARG CA C 4 56.231 56.231 55.475 0.756 25636 4268 1 15 . 1 1 4 4 ARG CB C 4 33.629 33.629 33.602 0.027 25636 4269 1 15 . 1 1 4 4 ARG H H 4 9.195 9.195 8.402 0.793 25636 4270 1 15 . 1 1 5 5 PHE N N 5 119.084 119.084 118.267 0.817 25636 4271 1 15 . 1 1 5 5 PHE HA H 5 5.321 5.321 4.717 0.604 25636 4272 1 15 . 1 1 5 5 PHE CA C 5 56.914 56.914 56.621 0.293 25636 4273 1 15 . 1 1 5 5 PHE CB C 5 43.554 43.554 42.605 0.949 25636 4274 1 15 . 1 1 5 5 PHE H H 5 9.242 9.242 8.324 0.918 25636 4275 1 15 . 1 1 6 6 CYS N N 6 116.173 116.173 116.160 0.013 25636 4276 1 15 . 1 1 6 6 CYS HA H 6 5.281 5.281 4.944 0.337 25636 4277 1 15 . 1 1 6 6 CYS CA C 6 54.262 54.262 58.098 -3.836 25636 4278 1 15 . 1 1 6 6 CYS CB C 6 39.730 39.730 31.338 8.392 25636 4279 1 15 . 1 1 6 6 CYS H H 6 9.204 9.204 8.313 0.891 25636 4280 1 15 . 1 1 7 7 VAL N N 7 126.228 126.228 117.437 8.791 25636 4281 1 15 . 1 1 7 7 VAL HA H 7 4.314 4.314 4.276 0.038 25636 4282 1 15 . 1 1 7 7 VAL CA C 7 60.665 60.665 61.404 -0.739 25636 4283 1 15 . 1 1 7 7 VAL CB C 7 32.359 32.359 35.945 -3.586 25636 4284 1 15 . 1 1 7 7 VAL H H 7 9.474 9.474 8.628 0.846 25636 4285 1 15 . 1 1 8 8 TYR N N 8 123.478 123.478 122.957 0.521 25636 4286 1 15 . 1 1 8 8 TYR HA H 8 5.120 5.120 4.793 0.327 25636 4287 1 15 . 1 1 8 8 TYR CA C 8 57.174 57.174 56.517 0.657 25636 4288 1 15 . 1 1 8 8 TYR CB C 8 40.918 40.918 42.331 -1.413 25636 4289 1 15 . 1 1 8 8 TYR H H 8 8.195 8.195 7.860 0.335 25636 4290 1 15 . 1 1 9 9 TYR N N 9 119.745 119.745 121.177 -1.432 25636 4291 1 15 . 1 1 9 9 TYR HA H 9 5.209 5.209 4.806 0.403 25636 4292 1 15 . 1 1 9 9 TYR CA C 9 56.930 56.930 57.035 -0.104 25636 4293 1 15 . 1 1 9 9 TYR CB C 9 44.026 44.026 42.515 1.511 25636 4294 1 15 . 1 1 9 9 TYR H H 9 9.410 9.410 7.713 1.697 25636 4295 1 15 . 1 1 10 10 ASP N N 10 118.515 118.515 119.347 -0.832 25636 4296 1 15 . 1 1 10 10 ASP HA H 10 5.203 5.203 5.048 0.155 25636 4297 1 15 . 1 1 10 10 ASP CA C 10 52.879 52.879 52.437 0.442 25636 4298 1 15 . 1 1 10 10 ASP CB C 10 41.522 41.522 45.111 -3.589 25636 4299 1 15 . 1 1 10 10 ASP H H 10 8.948 8.948 8.470 0.478 25636 4300 1 15 . 1 1 11 11 GLY N N 11 114.853 114.853 108.820 6.033 25636 4301 1 15 . 1 1 11 11 GLY CA C 11 44.213 44.213 46.547 -2.334 25636 4302 1 15 . 1 1 11 11 GLY H H 11 9.014 9.014 8.477 0.537 25636 4303 1 15 . 1 1 12 12 HIS N N 12 114.423 114.423 121.171 -6.748 25636 4304 1 15 . 1 1 12 12 HIS HA H 12 4.415 4.415 4.469 -0.054 25636 4305 1 15 . 1 1 12 12 HIS CA C 12 56.572 56.572 54.807 1.765 25636 4306 1 15 . 1 1 12 12 HIS CB C 12 32.017 32.017 33.451 -1.434 25636 4307 1 15 . 1 1 12 12 HIS H H 12 8.133 8.133 7.832 0.301 25636 4308 1 15 . 1 1 13 13 LEU N N 13 123.763 123.763 124.987 -1.224 25636 4309 1 15 . 1 1 13 13 LEU HA H 13 4.777 4.777 4.263 0.514 25636 4310 1 15 . 1 1 13 13 LEU CA C 13 52.049 52.049 54.178 -2.129 25636 4311 1 15 . 1 1 13 13 LEU CB C 13 41.569 41.569 42.566 -0.997 25636 4312 1 15 . 1 1 13 13 LEU H H 13 8.385 8.385 8.643 -0.258 25636 4313 1 15 . 1 1 14 14 PRO HA H 14 3.707 3.707 4.295 -0.588 25636 4314 1 15 . 1 1 14 14 PRO CA C 14 65.579 65.579 64.165 1.414 25636 4315 1 15 . 1 1 14 14 PRO CB C 14 31.895 31.895 32.081 -0.186 25636 4316 1 15 . 1 1 15 15 ALA N N 15 115.114 115.114 119.911 -4.797 25636 4317 1 15 . 1 1 15 15 ALA HA H 15 4.149 4.149 4.263 -0.114 25636 4318 1 15 . 1 1 15 15 ALA CA C 15 54.628 54.628 53.932 0.696 25636 4319 1 15 . 1 1 15 15 ALA CB C 15 19.577 19.577 19.049 0.528 25636 4320 1 15 . 1 1 15 15 ALA H H 15 8.162 8.162 7.877 0.285 25636 4321 1 15 . 1 1 16 16 THR N N 16 102.057 102.057 112.357 -10.300 25636 4322 1 15 . 1 1 16 16 THR HA H 16 4.553 4.553 4.443 0.110 25636 4323 1 15 . 1 1 16 16 THR CA C 16 60.331 60.331 61.045 -0.714 25636 4324 1 15 . 1 1 16 16 THR CB C 16 70.574 70.574 69.795 0.779 25636 4325 1 15 . 1 1 16 16 THR H H 16 7.153 7.153 7.539 -0.386 25636 4326 1 15 . 1 1 17 17 ARG N N 17 122.509 122.509 122.680 -0.171 25636 4327 1 15 . 1 1 17 17 ARG HA H 17 4.716 4.716 4.225 0.491 25636 4328 1 15 . 1 1 17 17 ARG CA C 17 56.296 56.296 57.144 -0.848 25636 4329 1 15 . 1 1 17 17 ARG CB C 17 30.021 30.021 30.748 -0.727 25636 4330 1 15 . 1 1 17 17 ARG H H 17 7.901 7.901 7.659 0.242 25636 4331 1 15 . 1 1 18 18 VAL N N 18 122.027 122.027 120.736 1.291 25636 4332 1 15 . 1 1 18 18 VAL HA H 18 4.293 4.293 4.298 -0.005 25636 4333 1 15 . 1 1 18 18 VAL CA C 18 61.462 61.462 61.463 -0.001 25636 4334 1 15 . 1 1 18 18 VAL CB C 18 35.247 35.247 33.885 1.362 25636 4335 1 15 . 1 1 18 18 VAL H H 18 8.568 8.568 8.682 -0.114 25636 4336 1 15 . 1 1 19 19 LEU N N 19 130.327 130.327 127.184 3.143 25636 4337 1 15 . 1 1 19 19 LEU HA H 19 3.718 3.718 4.249 -0.531 25636 4338 1 15 . 1 1 19 19 LEU CA C 19 57.467 57.467 55.288 2.179 25636 4339 1 15 . 1 1 19 19 LEU CB C 19 41.862 41.862 42.683 -0.821 25636 4340 1 15 . 1 1 19 19 LEU H H 19 8.670 8.670 8.578 0.092 25636 4341 1 15 . 1 1 20 20 LEU N N 20 126.389 126.389 128.572 -2.183 25636 4342 1 15 . 1 1 20 20 LEU HA H 20 4.588 4.588 4.340 0.248 25636 4343 1 15 . 1 1 20 20 LEU CA C 20 55.873 55.873 56.353 -0.480 25636 4344 1 15 . 1 1 20 20 LEU CB C 20 42.513 42.513 42.726 -0.213 25636 4345 1 15 . 1 1 20 20 LEU H H 20 9.236 9.236 8.143 1.093 25636 4346 1 15 . 1 1 21 21 MET N N 21 114.450 114.450 112.151 2.299 25636 4347 1 15 . 1 1 21 21 MET HA H 21 4.423 4.423 4.626 -0.203 25636 4348 1 15 . 1 1 21 21 MET CA C 21 56.214 56.214 54.985 1.229 25636 4349 1 15 . 1 1 21 21 MET CB C 21 36.964 36.964 36.189 0.775 25636 4350 1 15 . 1 1 21 21 MET H H 21 7.022 7.022 7.583 -0.561 25636 4351 1 15 . 1 1 22 22 TYR N N 22 123.123 123.123 119.892 3.231 25636 4352 1 15 . 1 1 22 22 TYR HA H 22 4.777 4.777 4.611 0.166 25636 4353 1 15 . 1 1 22 22 TYR CA C 22 57.988 57.988 58.202 -0.214 25636 4354 1 15 . 1 1 22 22 TYR CB C 22 39.356 39.356 39.453 -0.097 25636 4355 1 15 . 1 1 22 22 TYR H H 22 8.515 8.515 8.644 -0.129 25636 4356 1 15 . 1 1 23 23 VAL N N 23 123.811 123.811 123.081 0.730 25636 4357 1 15 . 1 1 23 23 VAL HA H 23 4.371 4.371 4.415 -0.044 25636 4358 1 15 . 1 1 23 23 VAL CA C 23 61.503 61.503 61.356 0.147 25636 4359 1 15 . 1 1 23 23 VAL CB C 23 35.418 35.418 33.146 2.272 25636 4360 1 15 . 1 1 23 23 VAL H H 23 9.417 9.417 8.345 1.072 25636 4361 1 15 . 1 1 24 24 ARG N N 24 129.194 129.194 126.549 2.645 25636 4362 1 15 . 1 1 24 24 ARG HA H 24 3.885 3.885 4.308 -0.423 25636 4363 1 15 . 1 1 24 24 ARG CA C 24 56.784 56.784 55.985 0.799 25636 4364 1 15 . 1 1 24 24 ARG CB C 24 30.178 30.178 30.833 -0.655 25636 4365 1 15 . 1 1 24 24 ARG H H 24 8.892 8.892 8.753 0.139 25636 4366 1 15 . 1 1 25 25 ILE N N 25 128.158 128.158 123.432 4.726 25636 4367 1 15 . 1 1 25 25 ILE HA H 25 3.655 3.655 4.026 -0.371 25636 4368 1 15 . 1 1 25 25 ILE CA C 25 64.879 64.879 59.660 5.220 25636 4369 1 15 . 1 1 25 25 ILE CB C 25 37.154 37.154 34.327 2.827 25636 4370 1 15 . 1 1 25 25 ILE H H 25 8.312 8.312 8.134 0.178 25636 4371 1 15 . 1 1 26 26 GLY N N 26 115.464 115.464 110.987 4.477 25636 4372 1 15 . 1 1 26 26 GLY CA C 26 44.352 44.352 45.428 -1.076 25636 4373 1 15 . 1 1 26 26 GLY H H 26 9.389 9.389 8.167 1.222 25636 4374 1 15 . 1 1 27 27 THR N N 27 111.341 111.341 115.188 -3.847 25636 4375 1 15 . 1 1 27 27 THR HA H 27 4.926 4.926 4.607 0.319 25636 4376 1 15 . 1 1 27 27 THR CA C 27 60.299 60.299 60.622 -0.323 25636 4377 1 15 . 1 1 27 27 THR CB C 27 72.194 72.194 69.911 2.283 25636 4378 1 15 . 1 1 27 27 THR H H 27 7.877 7.877 7.638 0.239 25636 4379 1 15 . 1 1 28 28 THR N N 28 108.952 108.952 114.956 -6.004 25636 4380 1 15 . 1 1 28 28 THR HA H 28 5.353 5.353 4.546 0.807 25636 4381 1 15 . 1 1 28 28 THR CA C 28 59.143 59.143 61.447 -2.304 25636 4382 1 15 . 1 1 28 28 THR CB C 28 71.706 71.706 69.389 2.317 25636 4383 1 15 . 1 1 28 28 THR H H 28 7.732 7.732 8.204 -0.472 25636 4384 1 15 . 1 1 29 29 ALA N N 29 122.383 122.383 128.649 -6.266 25636 4385 1 15 . 1 1 29 29 ALA HA H 29 4.621 4.621 4.600 0.021 25636 4386 1 15 . 1 1 29 29 ALA CA C 29 51.796 51.796 51.099 0.697 25636 4387 1 15 . 1 1 29 29 ALA CB C 29 24.556 24.556 21.485 3.071 25636 4388 1 15 . 1 1 29 29 ALA H H 29 8.634 8.634 8.322 0.312 25636 4389 1 15 . 1 1 30 30 THR N N 30 115.881 115.881 114.600 1.281 25636 4390 1 15 . 1 1 30 30 THR HA H 30 4.885 4.885 4.749 0.136 25636 4391 1 15 . 1 1 30 30 THR CA C 30 62.300 62.300 61.741 0.559 25636 4392 1 15 . 1 1 30 30 THR CB C 30 69.265 69.265 70.440 -1.175 25636 4393 1 15 . 1 1 30 30 THR H H 30 8.317 8.317 8.154 0.163 25636 4394 1 15 . 1 1 31 31 ILE N N 31 126.005 126.005 123.776 2.229 25636 4395 1 15 . 1 1 31 31 ILE HA H 31 4.388 4.388 4.457 -0.069 25636 4396 1 15 . 1 1 31 31 ILE CA C 31 59.562 59.562 60.258 -0.696 25636 4397 1 15 . 1 1 31 31 ILE CB C 31 40.634 40.634 40.938 -0.304 25636 4398 1 15 . 1 1 31 31 ILE H H 31 9.166 9.166 9.009 0.157 25636 4399 1 15 . 1 1 32 32 THR N N 32 120.162 120.162 120.596 -0.434 25636 4400 1 15 . 1 1 32 32 THR HA H 32 5.300 5.300 5.269 0.032 25636 4401 1 15 . 1 1 32 32 THR CA C 32 60.885 60.885 60.629 0.256 25636 4402 1 15 . 1 1 32 32 THR CB C 32 69.867 69.867 69.766 0.101 25636 4403 1 15 . 1 1 32 32 THR H H 32 8.441 8.441 8.486 -0.045 25636 4404 1 15 . 1 1 33 33 ALA N N 33 127.525 127.525 126.945 0.580 25636 4405 1 15 . 1 1 33 33 ALA HA H 33 4.644 4.644 4.707 -0.063 25636 4406 1 15 . 1 1 33 33 ALA CA C 33 51.975 51.975 51.917 0.058 25636 4407 1 15 . 1 1 33 33 ALA CB C 33 22.897 22.897 21.658 1.239 25636 4408 1 15 . 1 1 33 33 ALA H H 33 9.130 9.130 8.650 0.480 25636 4409 1 15 . 1 1 34 34 ARG N N 34 118.330 118.330 121.612 -3.282 25636 4410 1 15 . 1 1 34 34 ARG HA H 34 3.814 3.814 4.110 -0.296 25636 4411 1 15 . 1 1 34 34 ARG CA C 34 57.028 57.028 57.051 -0.023 25636 4412 1 15 . 1 1 34 34 ARG CB C 34 27.337 27.337 28.078 -0.741 25636 4413 1 15 . 1 1 34 34 ARG H H 34 9.232 9.232 9.317 -0.085 25636 4414 1 15 . 1 1 35 35 GLY N N 35 104.002 104.002 104.009 -0.007 25636 4415 1 15 . 1 1 35 35 GLY CA C 35 45.368 45.368 45.174 0.194 25636 4416 1 15 . 1 1 35 35 GLY H H 35 8.642 8.642 8.472 0.170 25636 4417 1 15 . 1 1 36 36 HIS N N 36 119.875 119.875 119.210 0.665 25636 4418 1 15 . 1 1 36 36 HIS HA H 36 4.703 4.703 4.774 -0.071 25636 4419 1 15 . 1 1 36 36 HIS CA C 36 54.376 54.376 55.257 -0.881 25636 4420 1 15 . 1 1 36 36 HIS CB C 36 32.880 32.880 33.227 -0.347 25636 4421 1 15 . 1 1 36 36 HIS H H 36 8.188 8.188 8.077 0.111 25636 4422 1 15 . 1 1 37 37 GLU N N 37 119.578 119.578 120.344 -0.766 25636 4423 1 15 . 1 1 37 37 GLU HA H 37 5.018 5.018 4.864 0.154 25636 4424 1 15 . 1 1 37 37 GLU CA C 37 55.092 55.092 54.700 0.392 25636 4425 1 15 . 1 1 37 37 GLU CB C 37 31.863 31.863 30.933 0.930 25636 4426 1 15 . 1 1 37 37 GLU H H 37 7.991 7.991 8.502 -0.511 25636 4427 1 15 . 1 1 38 38 PHE N N 38 121.593 121.593 124.100 -2.507 25636 4428 1 15 . 1 1 38 38 PHE HA H 38 4.755 4.755 4.797 -0.042 25636 4429 1 15 . 1 1 38 38 PHE CA C 38 56.442 56.442 55.827 0.615 25636 4430 1 15 . 1 1 38 38 PHE CB C 38 41.569 41.569 40.941 0.628 25636 4431 1 15 . 1 1 38 38 PHE H H 38 9.149 9.149 9.097 0.052 25636 4432 1 15 . 1 1 39 39 GLU N N 39 125.332 125.332 126.268 -0.936 25636 4433 1 15 . 1 1 39 39 GLU HA H 39 5.186 5.186 4.571 0.615 25636 4434 1 15 . 1 1 39 39 GLU CA C 39 55.531 55.531 55.578 -0.047 25636 4435 1 15 . 1 1 39 39 GLU CB C 39 30.309 30.309 30.875 -0.566 25636 4436 1 15 . 1 1 39 39 GLU H H 39 8.539 8.539 9.042 -0.503 25636 4437 1 15 . 1 1 40 40 VAL N N 40 120.623 120.623 121.377 -0.754 25636 4438 1 15 . 1 1 40 40 VAL HA H 40 5.396 5.396 4.880 0.516 25636 4439 1 15 . 1 1 40 40 VAL CA C 40 58.517 58.517 58.739 -0.222 25636 4440 1 15 . 1 1 40 40 VAL CB C 40 34.287 34.287 34.037 0.250 25636 4441 1 15 . 1 1 40 40 VAL H H 40 8.773 8.773 7.600 1.173 25636 4442 1 15 . 1 1 41 41 GLU N N 41 118.742 118.742 119.972 -1.230 25636 4443 1 15 . 1 1 41 41 GLU HA H 41 4.553 4.553 4.500 0.053 25636 4444 1 15 . 1 1 41 41 GLU CA C 41 54.359 54.359 55.392 -1.034 25636 4445 1 15 . 1 1 41 41 GLU CB C 41 32.408 32.408 31.979 0.429 25636 4446 1 15 . 1 1 41 41 GLU H H 41 7.973 7.973 8.441 -0.468 25636 4447 1 15 . 1 1 42 42 ALA N N 42 132.540 132.540 128.106 4.434 25636 4448 1 15 . 1 1 42 42 ALA HA H 42 4.662 4.662 4.633 0.029 25636 4449 1 15 . 1 1 42 42 ALA CA C 42 50.446 50.446 51.305 -0.859 25636 4450 1 15 . 1 1 42 42 ALA CB C 42 18.015 18.015 19.866 -1.851 25636 4451 1 15 . 1 1 42 42 ALA H H 42 8.181 8.181 8.451 -0.270 25636 4452 1 15 . 1 1 43 43 LYS N N 43 125.936 125.936 122.643 3.293 25636 4453 1 15 . 1 1 43 43 LYS HA H 43 3.955 3.955 4.418 -0.463 25636 4454 1 15 . 1 1 43 43 LYS CA C 43 59.648 59.648 56.542 3.106 25636 4455 1 15 . 1 1 43 43 LYS CB C 43 34.670 34.670 33.404 1.266 25636 4456 1 15 . 1 1 43 43 LYS H H 43 9.029 9.029 8.699 0.330 25636 4457 1 15 . 1 1 44 44 ASP N N 44 110.443 110.443 116.232 -5.789 25636 4458 1 15 . 1 1 44 44 ASP HA H 44 4.338 4.338 4.588 -0.250 25636 4459 1 15 . 1 1 44 44 ASP CA C 44 53.074 53.074 53.853 -0.779 25636 4460 1 15 . 1 1 44 44 ASP CB C 44 41.337 41.337 42.381 -1.044 25636 4461 1 15 . 1 1 44 44 ASP H H 44 7.463 7.463 7.679 -0.216 25636 4462 1 15 . 1 1 45 45 GLN N N 45 112.575 112.575 118.162 -5.587 25636 4463 1 15 . 1 1 45 45 GLN HA H 45 4.064 4.064 3.934 0.130 25636 4464 1 15 . 1 1 45 45 GLN CA C 45 57.663 57.663 57.822 -0.159 25636 4465 1 15 . 1 1 45 45 GLN CB C 45 28.047 28.047 28.948 -0.901 25636 4466 1 15 . 1 1 45 45 GLN H H 45 8.370 8.370 8.532 -0.162 25636 4467 1 15 . 1 1 46 46 ASN N N 46 117.659 117.659 118.932 -1.273 25636 4468 1 15 . 1 1 46 46 ASN HA H 46 4.536 4.536 4.729 -0.193 25636 4469 1 15 . 1 1 46 46 ASN CA C 46 55.271 55.271 52.767 2.504 25636 4470 1 15 . 1 1 46 46 ASN CB C 46 38.046 38.046 37.357 0.689 25636 4471 1 15 . 1 1 46 46 ASN H H 46 8.704 8.704 8.270 0.434 25636 4472 1 15 . 1 1 47 47 CYS N N 47 112.520 112.520 123.334 -10.814 25636 4473 1 15 . 1 1 47 47 CYS HA H 47 4.397 4.397 4.603 -0.206 25636 4474 1 15 . 1 1 47 47 CYS CA C 47 55.075 55.075 58.407 -3.332 25636 4475 1 15 . 1 1 47 47 CYS CB C 47 36.199 36.199 28.844 7.355 25636 4476 1 15 . 1 1 47 47 CYS H H 47 8.486 8.486 8.038 0.448 25636 4477 1 15 . 1 1 48 48 LYS N N 48 116.117 116.117 123.777 -7.660 25636 4478 1 15 . 1 1 48 48 LYS HA H 48 4.130 4.130 4.566 -0.436 25636 4479 1 15 . 1 1 48 48 LYS CA C 48 56.865 56.865 54.791 2.075 25636 4480 1 15 . 1 1 48 48 LYS CB C 48 32.180 32.180 34.355 -2.175 25636 4481 1 15 . 1 1 48 48 LYS H H 48 7.970 7.970 8.447 -0.477 25636 4482 1 15 . 1 1 49 49 VAL N N 49 126.872 126.872 119.949 6.923 25636 4483 1 15 . 1 1 49 49 VAL HA H 49 3.632 3.632 4.082 -0.450 25636 4484 1 15 . 1 1 49 49 VAL CA C 49 64.782 64.782 63.048 1.734 25636 4485 1 15 . 1 1 49 49 VAL CB C 49 30.317 30.317 31.408 -1.091 25636 4486 1 15 . 1 1 49 49 VAL H H 49 8.951 8.951 8.514 0.437 25636 4487 1 15 . 1 1 50 50 ILE N N 50 132.487 132.487 126.577 5.910 25636 4488 1 15 . 1 1 50 50 ILE HA H 50 4.135 4.135 4.365 -0.230 25636 4489 1 15 . 1 1 50 50 ILE CA C 50 60.535 60.535 60.302 0.233 25636 4490 1 15 . 1 1 50 50 ILE CB C 50 41.659 41.659 42.074 -0.415 25636 4491 1 15 . 1 1 50 50 ILE H H 50 8.666 8.666 7.691 0.975 25636 4492 1 15 . 1 1 51 51 LEU N N 51 125.179 125.179 124.223 0.956 25636 4493 1 15 . 1 1 51 51 LEU HA H 51 5.250 5.250 5.290 -0.040 25636 4494 1 15 . 1 1 51 51 LEU CA C 51 53.245 53.245 53.649 -0.404 25636 4495 1 15 . 1 1 51 51 LEU CB C 51 41.146 41.146 44.580 -3.434 25636 4496 1 15 . 1 1 51 51 LEU H H 51 8.789 8.789 8.054 0.735 25636 4497 1 15 . 1 1 52 52 THR N N 52 115.511 115.511 114.834 0.677 25636 4498 1 15 . 1 1 52 52 THR HA H 52 4.079 4.079 4.354 -0.275 25636 4499 1 15 . 1 1 52 52 THR CA C 52 63.822 63.822 61.991 1.831 25636 4500 1 15 . 1 1 52 52 THR CB C 52 68.335 68.335 68.656 -0.321 25636 4501 1 15 . 1 1 52 52 THR H H 52 8.528 8.528 8.320 0.208 25636 4502 1 15 . 1 1 53 53 ASN N N 53 116.941 116.941 119.695 -2.754 25636 4503 1 15 . 1 1 53 53 ASN HA H 53 4.514 4.514 4.829 -0.315 25636 4504 1 15 . 1 1 53 53 ASN CA C 53 52.740 52.740 52.656 0.084 25636 4505 1 15 . 1 1 53 53 ASN CB C 53 37.314 37.314 37.877 -0.563 25636 4506 1 15 . 1 1 53 53 ASN H H 53 8.149 8.149 8.224 -0.075 25636 4507 1 15 . 1 1 54 54 GLY N N 54 106.580 106.580 106.678 -0.098 25636 4508 1 15 . 1 1 54 54 GLY CA C 54 45.735 45.735 46.035 -0.300 25636 4509 1 15 . 1 1 54 54 GLY H H 54 7.949 7.949 8.602 -0.653 25636 4510 1 15 . 1 1 55 55 LYS N N 55 120.679 120.679 116.339 4.340 25636 4511 1 15 . 1 1 55 55 LYS HA H 55 4.251 4.251 4.570 -0.319 25636 4512 1 15 . 1 1 55 55 LYS CA C 55 55.848 55.848 54.181 1.667 25636 4513 1 15 . 1 1 55 55 LYS CB C 55 32.595 32.595 34.927 -2.332 25636 4514 1 15 . 1 1 55 55 LYS H H 55 7.806 7.806 7.704 0.102 25636 4515 1 15 . 1 1 56 56 GLN N N 56 119.471 119.471 118.814 0.657 25636 4516 1 15 . 1 1 56 56 GLN HA H 56 4.114 4.114 4.461 -0.347 25636 4517 1 15 . 1 1 56 56 GLN CA C 56 55.865 55.865 54.163 1.702 25636 4518 1 15 . 1 1 56 56 GLN CB C 56 29.228 29.228 30.763 -1.535 25636 4519 1 15 . 1 1 56 56 GLN H H 56 8.241 8.241 8.430 -0.189 25636 4520 1 15 . 1 1 57 57 ALA N N 57 129.241 129.241 125.840 3.401 25636 4521 1 15 . 1 1 57 57 ALA HA H 57 4.136 4.136 3.961 0.175 25636 4522 1 15 . 1 1 57 57 ALA CA C 57 50.210 50.210 50.923 -0.713 25636 4523 1 15 . 1 1 57 57 ALA CB C 57 18.056 18.056 17.553 0.503 25636 4524 1 15 . 1 1 57 57 ALA H H 57 8.667 8.667 8.341 0.326 25636 4525 1 15 . 1 1 58 58 PRO HA H 58 4.181 4.181 4.263 -0.082 25636 4526 1 15 . 1 1 58 58 PRO CA C 58 62.162 62.162 61.836 0.326 25636 4527 1 15 . 1 1 58 58 PRO CB C 58 31.226 31.226 31.780 -0.554 25636 4528 1 15 . 1 1 59 59 ASP N N 59 120.839 120.839 117.301 3.538 25636 4529 1 15 . 1 1 59 59 ASP HA H 59 4.151 4.151 4.503 -0.352 25636 4530 1 15 . 1 1 59 59 ASP CA C 59 56.483 56.483 55.721 0.762 25636 4531 1 15 . 1 1 59 59 ASP CB C 59 40.568 40.568 41.035 -0.467 25636 4532 1 15 . 1 1 59 59 ASP H H 59 8.576 8.576 8.522 0.054 25636 4533 1 15 . 1 1 60 60 TRP N N 60 114.095 114.095 117.549 -3.454 25636 4534 1 15 . 1 1 60 60 TRP HA H 60 4.460 4.460 4.829 -0.369 25636 4535 1 15 . 1 1 60 60 TRP CA C 60 54.579 54.579 55.163 -0.584 25636 4536 1 15 . 1 1 60 60 TRP CB C 60 29.366 29.366 28.761 0.605 25636 4537 1 15 . 1 1 60 60 TRP H H 60 6.701 6.701 7.184 -0.483 25636 4538 1 15 . 1 1 61 61 LEU N N 61 123.142 123.142 121.370 1.772 25636 4539 1 15 . 1 1 61 61 LEU HA H 61 4.743 4.743 4.319 0.424 25636 4540 1 15 . 1 1 61 61 LEU CA C 61 54.839 54.839 53.172 1.667 25636 4541 1 15 . 1 1 61 61 LEU CB C 61 42.083 42.083 43.293 -1.210 25636 4542 1 15 . 1 1 61 61 LEU H H 61 6.541 6.541 6.943 -0.402 25636 4543 1 15 . 1 1 62 62 ALA N N 62 131.106 131.106 125.353 5.753 25636 4544 1 15 . 1 1 62 62 ALA HA H 62 4.644 4.644 4.470 0.174 25636 4545 1 15 . 1 1 62 62 ALA CA C 62 50.478 50.478 51.159 -0.681 25636 4546 1 15 . 1 1 62 62 ALA CB C 62 23.434 23.434 22.119 1.315 25636 4547 1 15 . 1 1 62 62 ALA H H 62 8.993 8.993 7.816 1.177 25636 4548 1 15 . 1 1 63 63 ALA N N 63 118.796 118.796 120.859 -2.063 25636 4549 1 15 . 1 1 63 63 ALA HA H 63 5.633 5.633 4.754 0.879 25636 4550 1 15 . 1 1 63 63 ALA CA C 63 51.143 51.143 52.064 -0.921 25636 4551 1 15 . 1 1 63 63 ALA CB C 63 22.490 22.490 21.413 1.077 25636 4552 1 15 . 1 1 63 63 ALA H H 63 8.139 8.139 8.222 -0.083 25636 4553 1 15 . 1 1 64 64 GLU N N 64 116.715 116.715 123.444 -6.729 25636 4554 1 15 . 1 1 64 64 GLU HA H 64 4.902 4.902 4.928 -0.026 25636 4555 1 15 . 1 1 64 64 GLU CA C 64 53.009 53.009 53.637 -0.628 25636 4556 1 15 . 1 1 64 64 GLU CB C 64 32.619 32.619 31.750 0.869 25636 4557 1 15 . 1 1 64 64 GLU H H 64 8.563 8.563 8.277 0.286 25636 4558 1 15 . 1 1 65 65 PRO HA H 65 5.486 5.486 4.413 1.073 25636 4559 1 15 . 1 1 65 65 PRO CA C 65 62.878 62.878 63.141 -0.263 25636 4560 1 15 . 1 1 65 65 PRO CB C 65 32.606 32.606 32.558 0.048 25636 4561 1 16 . 1 1 2 2 PRO HA H 2 4.386 4.386 4.592 -0.206 25636 4562 1 16 . 1 1 2 2 PRO CA C 2 62.756 62.756 62.720 0.036 25636 4563 1 16 . 1 1 2 2 PRO CB C 2 32.034 32.034 33.041 -1.007 25636 4564 1 16 . 1 1 3 3 ALA N N 3 124.343 124.343 123.288 1.055 25636 4565 1 16 . 1 1 3 3 ALA HA H 3 4.306 4.306 4.582 -0.276 25636 4566 1 16 . 1 1 3 3 ALA CA C 3 52.756 52.756 51.558 1.198 25636 4567 1 16 . 1 1 3 3 ALA CB C 3 19.935 19.935 20.592 -0.657 25636 4568 1 16 . 1 1 3 3 ALA H H 3 8.192 8.192 8.434 -0.242 25636 4569 1 16 . 1 1 4 4 ARG N N 4 119.928 119.928 120.236 -0.308 25636 4570 1 16 . 1 1 4 4 ARG HA H 4 4.323 4.323 4.542 -0.219 25636 4571 1 16 . 1 1 4 4 ARG CA C 4 56.231 56.231 55.773 0.458 25636 4572 1 16 . 1 1 4 4 ARG CB C 4 33.629 33.629 32.711 0.918 25636 4573 1 16 . 1 1 4 4 ARG H H 4 9.195 9.195 8.360 0.835 25636 4574 1 16 . 1 1 5 5 PHE N N 5 119.084 119.084 119.811 -0.727 25636 4575 1 16 . 1 1 5 5 PHE HA H 5 5.321 5.321 4.670 0.651 25636 4576 1 16 . 1 1 5 5 PHE CA C 5 56.914 56.914 57.170 -0.256 25636 4577 1 16 . 1 1 5 5 PHE CB C 5 43.554 43.554 43.462 0.093 25636 4578 1 16 . 1 1 5 5 PHE H H 5 9.242 9.242 8.246 0.996 25636 4579 1 16 . 1 1 6 6 CYS N N 6 116.173 116.173 118.770 -2.597 25636 4580 1 16 . 1 1 6 6 CYS HA H 6 5.281 5.281 5.031 0.250 25636 4581 1 16 . 1 1 6 6 CYS CA C 6 54.262 54.262 58.592 -4.330 25636 4582 1 16 . 1 1 6 6 CYS CB C 6 39.730 39.730 29.940 9.790 25636 4583 1 16 . 1 1 6 6 CYS H H 6 9.204 9.204 8.786 0.418 25636 4584 1 16 . 1 1 7 7 VAL N N 7 126.228 126.228 119.373 6.855 25636 4585 1 16 . 1 1 7 7 VAL HA H 7 4.314 4.314 4.726 -0.412 25636 4586 1 16 . 1 1 7 7 VAL CA C 7 60.665 60.665 58.939 1.726 25636 4587 1 16 . 1 1 7 7 VAL CB C 7 32.359 32.359 34.038 -1.679 25636 4588 1 16 . 1 1 7 7 VAL H H 7 9.474 9.474 9.020 0.454 25636 4589 1 16 . 1 1 8 8 TYR N N 8 123.478 123.478 123.279 0.199 25636 4590 1 16 . 1 1 8 8 TYR HA H 8 5.120 5.120 4.847 0.273 25636 4591 1 16 . 1 1 8 8 TYR CA C 8 57.174 57.174 56.512 0.662 25636 4592 1 16 . 1 1 8 8 TYR CB C 8 40.918 40.918 42.042 -1.124 25636 4593 1 16 . 1 1 8 8 TYR H H 8 8.195 8.195 7.708 0.487 25636 4594 1 16 . 1 1 9 9 TYR N N 9 119.745 119.745 122.659 -2.914 25636 4595 1 16 . 1 1 9 9 TYR HA H 9 5.209 5.209 4.736 0.473 25636 4596 1 16 . 1 1 9 9 TYR CA C 9 56.930 56.930 56.998 -0.068 25636 4597 1 16 . 1 1 9 9 TYR CB C 9 44.026 44.026 42.182 1.843 25636 4598 1 16 . 1 1 9 9 TYR H H 9 9.410 9.410 7.792 1.618 25636 4599 1 16 . 1 1 10 10 ASP N N 10 118.515 118.515 118.558 -0.043 25636 4600 1 16 . 1 1 10 10 ASP HA H 10 5.203 5.203 5.058 0.145 25636 4601 1 16 . 1 1 10 10 ASP CA C 10 52.879 52.879 52.928 -0.049 25636 4602 1 16 . 1 1 10 10 ASP CB C 10 41.522 41.522 45.020 -3.498 25636 4603 1 16 . 1 1 10 10 ASP H H 10 8.948 8.948 8.467 0.481 25636 4604 1 16 . 1 1 11 11 GLY N N 11 114.853 114.853 109.077 5.776 25636 4605 1 16 . 1 1 11 11 GLY CA C 11 44.213 44.213 46.701 -2.488 25636 4606 1 16 . 1 1 11 11 GLY H H 11 9.014 9.014 8.747 0.267 25636 4607 1 16 . 1 1 12 12 HIS N N 12 114.423 114.423 122.749 -8.326 25636 4608 1 16 . 1 1 12 12 HIS HA H 12 4.415 4.415 4.504 -0.089 25636 4609 1 16 . 1 1 12 12 HIS CA C 12 56.572 56.572 55.770 0.802 25636 4610 1 16 . 1 1 12 12 HIS CB C 12 32.017 32.017 32.598 -0.581 25636 4611 1 16 . 1 1 12 12 HIS H H 12 8.133 8.133 8.165 -0.032 25636 4612 1 16 . 1 1 13 13 LEU N N 13 123.763 123.763 124.767 -1.004 25636 4613 1 16 . 1 1 13 13 LEU HA H 13 4.777 4.777 4.311 0.466 25636 4614 1 16 . 1 1 13 13 LEU CA C 13 52.049 52.049 54.236 -2.187 25636 4615 1 16 . 1 1 13 13 LEU CB C 13 41.569 41.569 42.423 -0.855 25636 4616 1 16 . 1 1 13 13 LEU H H 13 8.385 8.385 8.592 -0.207 25636 4617 1 16 . 1 1 14 14 PRO HA H 14 3.707 3.707 4.327 -0.620 25636 4618 1 16 . 1 1 14 14 PRO CA C 14 65.579 65.579 64.207 1.372 25636 4619 1 16 . 1 1 14 14 PRO CB C 14 31.895 31.895 32.031 -0.136 25636 4620 1 16 . 1 1 15 15 ALA N N 15 115.114 115.114 121.072 -5.958 25636 4621 1 16 . 1 1 15 15 ALA HA H 15 4.149 4.149 4.298 -0.149 25636 4622 1 16 . 1 1 15 15 ALA CA C 15 54.628 54.628 54.129 0.499 25636 4623 1 16 . 1 1 15 15 ALA CB C 15 19.577 19.577 18.971 0.605 25636 4624 1 16 . 1 1 15 15 ALA H H 15 8.162 8.162 8.152 0.010 25636 4625 1 16 . 1 1 16 16 THR N N 16 102.057 102.057 111.791 -9.734 25636 4626 1 16 . 1 1 16 16 THR HA H 16 4.553 4.553 4.430 0.123 25636 4627 1 16 . 1 1 16 16 THR CA C 16 60.331 60.331 61.206 -0.875 25636 4628 1 16 . 1 1 16 16 THR CB C 16 70.574 70.574 69.953 0.621 25636 4629 1 16 . 1 1 16 16 THR H H 16 7.153 7.153 7.714 -0.561 25636 4630 1 16 . 1 1 17 17 ARG N N 17 122.509 122.509 123.611 -1.102 25636 4631 1 16 . 1 1 17 17 ARG HA H 17 4.716 4.716 4.218 0.498 25636 4632 1 16 . 1 1 17 17 ARG CA C 17 56.296 56.296 57.242 -0.946 25636 4633 1 16 . 1 1 17 17 ARG CB C 17 30.021 30.021 30.722 -0.701 25636 4634 1 16 . 1 1 17 17 ARG H H 17 7.901 7.901 7.628 0.273 25636 4635 1 16 . 1 1 18 18 VAL N N 18 122.027 122.027 120.681 1.346 25636 4636 1 16 . 1 1 18 18 VAL HA H 18 4.293 4.293 4.245 0.048 25636 4637 1 16 . 1 1 18 18 VAL CA C 18 61.462 61.462 61.842 -0.380 25636 4638 1 16 . 1 1 18 18 VAL CB C 18 35.247 35.247 34.362 0.885 25636 4639 1 16 . 1 1 18 18 VAL H H 18 8.568 8.568 8.628 -0.060 25636 4640 1 16 . 1 1 19 19 LEU N N 19 130.327 130.327 127.236 3.091 25636 4641 1 16 . 1 1 19 19 LEU HA H 19 3.718 3.718 3.913 -0.195 25636 4642 1 16 . 1 1 19 19 LEU CA C 19 57.467 57.467 55.306 2.161 25636 4643 1 16 . 1 1 19 19 LEU CB C 19 41.862 41.862 42.542 -0.680 25636 4644 1 16 . 1 1 19 19 LEU H H 19 8.670 8.670 8.449 0.221 25636 4645 1 16 . 1 1 20 20 LEU N N 20 126.389 126.389 128.312 -1.923 25636 4646 1 16 . 1 1 20 20 LEU HA H 20 4.588 4.588 4.276 0.312 25636 4647 1 16 . 1 1 20 20 LEU CA C 20 55.873 55.873 56.241 -0.368 25636 4648 1 16 . 1 1 20 20 LEU CB C 20 42.513 42.513 42.662 -0.149 25636 4649 1 16 . 1 1 20 20 LEU H H 20 9.236 9.236 7.997 1.239 25636 4650 1 16 . 1 1 21 21 MET N N 21 114.450 114.450 112.042 2.408 25636 4651 1 16 . 1 1 21 21 MET HA H 21 4.423 4.423 4.550 -0.127 25636 4652 1 16 . 1 1 21 21 MET CA C 21 56.214 56.214 54.885 1.329 25636 4653 1 16 . 1 1 21 21 MET CB C 21 36.964 36.964 36.569 0.395 25636 4654 1 16 . 1 1 21 21 MET H H 21 7.022 7.022 7.481 -0.459 25636 4655 1 16 . 1 1 22 22 TYR N N 22 123.123 123.123 120.390 2.733 25636 4656 1 16 . 1 1 22 22 TYR HA H 22 4.777 4.777 4.527 0.250 25636 4657 1 16 . 1 1 22 22 TYR CA C 22 57.988 57.988 58.455 -0.467 25636 4658 1 16 . 1 1 22 22 TYR CB C 22 39.356 39.356 38.810 0.545 25636 4659 1 16 . 1 1 22 22 TYR H H 22 8.515 8.515 8.711 -0.196 25636 4660 1 16 . 1 1 23 23 VAL N N 23 123.811 123.811 124.594 -0.783 25636 4661 1 16 . 1 1 23 23 VAL HA H 23 4.371 4.371 4.357 0.014 25636 4662 1 16 . 1 1 23 23 VAL CA C 23 61.503 61.503 61.486 0.017 25636 4663 1 16 . 1 1 23 23 VAL CB C 23 35.418 35.418 32.373 3.045 25636 4664 1 16 . 1 1 23 23 VAL H H 23 9.417 9.417 8.408 1.009 25636 4665 1 16 . 1 1 24 24 ARG N N 24 129.194 129.194 127.225 1.969 25636 4666 1 16 . 1 1 24 24 ARG HA H 24 3.885 3.885 4.514 -0.629 25636 4667 1 16 . 1 1 24 24 ARG CA C 24 56.784 56.784 56.057 0.727 25636 4668 1 16 . 1 1 24 24 ARG CB C 24 30.178 30.178 30.778 -0.600 25636 4669 1 16 . 1 1 24 24 ARG H H 24 8.892 8.892 8.750 0.142 25636 4670 1 16 . 1 1 25 25 ILE N N 25 128.158 128.158 123.634 4.524 25636 4671 1 16 . 1 1 25 25 ILE HA H 25 3.655 3.655 4.013 -0.358 25636 4672 1 16 . 1 1 25 25 ILE CA C 25 64.879 64.879 61.093 3.785 25636 4673 1 16 . 1 1 25 25 ILE CB C 25 37.154 37.154 35.312 1.842 25636 4674 1 16 . 1 1 25 25 ILE H H 25 8.312 8.312 8.322 -0.010 25636 4675 1 16 . 1 1 26 26 GLY N N 26 115.464 115.464 110.212 5.252 25636 4676 1 16 . 1 1 26 26 GLY CA C 26 44.352 44.352 45.341 -0.989 25636 4677 1 16 . 1 1 26 26 GLY H H 26 9.389 9.389 8.113 1.276 25636 4678 1 16 . 1 1 27 27 THR N N 27 111.341 111.341 115.180 -3.839 25636 4679 1 16 . 1 1 27 27 THR HA H 27 4.926 4.926 4.615 0.311 25636 4680 1 16 . 1 1 27 27 THR CA C 27 60.299 60.299 61.028 -0.729 25636 4681 1 16 . 1 1 27 27 THR CB C 27 72.194 72.194 70.594 1.600 25636 4682 1 16 . 1 1 27 27 THR H H 27 7.877 7.877 7.650 0.227 25636 4683 1 16 . 1 1 28 28 THR N N 28 108.952 108.952 115.417 -6.465 25636 4684 1 16 . 1 1 28 28 THR HA H 28 5.353 5.353 4.537 0.816 25636 4685 1 16 . 1 1 28 28 THR CA C 28 59.143 59.143 61.359 -2.216 25636 4686 1 16 . 1 1 28 28 THR CB C 28 71.706 71.706 69.477 2.229 25636 4687 1 16 . 1 1 28 28 THR H H 28 7.732 7.732 8.286 -0.554 25636 4688 1 16 . 1 1 29 29 ALA N N 29 122.383 122.383 129.285 -6.902 25636 4689 1 16 . 1 1 29 29 ALA HA H 29 4.621 4.621 4.675 -0.054 25636 4690 1 16 . 1 1 29 29 ALA CA C 29 51.796 51.796 51.258 0.538 25636 4691 1 16 . 1 1 29 29 ALA CB C 29 24.556 24.556 21.565 2.991 25636 4692 1 16 . 1 1 29 29 ALA H H 29 8.634 8.634 8.496 0.138 25636 4693 1 16 . 1 1 30 30 THR N N 30 115.881 115.881 114.183 1.698 25636 4694 1 16 . 1 1 30 30 THR HA H 30 4.885 4.885 4.829 0.056 25636 4695 1 16 . 1 1 30 30 THR CA C 30 62.300 62.300 61.288 1.012 25636 4696 1 16 . 1 1 30 30 THR CB C 30 69.265 69.265 70.691 -1.426 25636 4697 1 16 . 1 1 30 30 THR H H 30 8.317 8.317 8.128 0.189 25636 4698 1 16 . 1 1 31 31 ILE N N 31 126.005 126.005 123.762 2.243 25636 4699 1 16 . 1 1 31 31 ILE HA H 31 4.388 4.388 4.380 0.008 25636 4700 1 16 . 1 1 31 31 ILE CA C 31 59.562 59.562 60.291 -0.729 25636 4701 1 16 . 1 1 31 31 ILE CB C 31 40.634 40.634 40.439 0.195 25636 4702 1 16 . 1 1 31 31 ILE H H 31 9.166 9.166 9.034 0.132 25636 4703 1 16 . 1 1 32 32 THR N N 32 120.162 120.162 121.698 -1.536 25636 4704 1 16 . 1 1 32 32 THR HA H 32 5.300 5.300 5.151 0.149 25636 4705 1 16 . 1 1 32 32 THR CA C 32 60.885 60.885 60.640 0.245 25636 4706 1 16 . 1 1 32 32 THR CB C 32 69.867 69.867 69.091 0.776 25636 4707 1 16 . 1 1 32 32 THR H H 32 8.441 8.441 8.529 -0.088 25636 4708 1 16 . 1 1 33 33 ALA N N 33 127.525 127.525 127.146 0.379 25636 4709 1 16 . 1 1 33 33 ALA HA H 33 4.644 4.644 4.699 -0.055 25636 4710 1 16 . 1 1 33 33 ALA CA C 33 51.975 51.975 52.096 -0.121 25636 4711 1 16 . 1 1 33 33 ALA CB C 33 22.897 22.897 21.928 0.969 25636 4712 1 16 . 1 1 33 33 ALA H H 33 9.130 9.130 8.811 0.319 25636 4713 1 16 . 1 1 34 34 ARG N N 34 118.330 118.330 121.824 -3.494 25636 4714 1 16 . 1 1 34 34 ARG HA H 34 3.814 3.814 4.118 -0.304 25636 4715 1 16 . 1 1 34 34 ARG CA C 34 57.028 57.028 56.846 0.182 25636 4716 1 16 . 1 1 34 34 ARG CB C 34 27.337 27.337 28.034 -0.697 25636 4717 1 16 . 1 1 34 34 ARG H H 34 9.232 9.232 9.309 -0.077 25636 4718 1 16 . 1 1 35 35 GLY N N 35 104.002 104.002 104.487 -0.485 25636 4719 1 16 . 1 1 35 35 GLY CA C 35 45.368 45.368 45.337 0.031 25636 4720 1 16 . 1 1 35 35 GLY H H 35 8.642 8.642 8.531 0.111 25636 4721 1 16 . 1 1 36 36 HIS N N 36 119.875 119.875 119.022 0.853 25636 4722 1 16 . 1 1 36 36 HIS HA H 36 4.703 4.703 4.744 -0.041 25636 4723 1 16 . 1 1 36 36 HIS CA C 36 54.376 54.376 55.151 -0.775 25636 4724 1 16 . 1 1 36 36 HIS CB C 36 32.880 32.880 33.268 -0.388 25636 4725 1 16 . 1 1 36 36 HIS H H 36 8.188 8.188 7.889 0.299 25636 4726 1 16 . 1 1 37 37 GLU N N 37 119.578 119.578 122.040 -2.462 25636 4727 1 16 . 1 1 37 37 GLU HA H 37 5.018 5.018 4.897 0.121 25636 4728 1 16 . 1 1 37 37 GLU CA C 37 55.092 55.092 54.732 0.360 25636 4729 1 16 . 1 1 37 37 GLU CB C 37 31.863 31.863 30.775 1.088 25636 4730 1 16 . 1 1 37 37 GLU H H 37 7.991 7.991 8.535 -0.544 25636 4731 1 16 . 1 1 38 38 PHE N N 38 121.593 121.593 124.402 -2.809 25636 4732 1 16 . 1 1 38 38 PHE HA H 38 4.755 4.755 4.770 -0.015 25636 4733 1 16 . 1 1 38 38 PHE CA C 38 56.442 56.442 56.047 0.395 25636 4734 1 16 . 1 1 38 38 PHE CB C 38 41.569 41.569 40.942 0.627 25636 4735 1 16 . 1 1 38 38 PHE H H 38 9.149 9.149 9.133 0.016 25636 4736 1 16 . 1 1 39 39 GLU N N 39 125.332 125.332 125.937 -0.605 25636 4737 1 16 . 1 1 39 39 GLU HA H 39 5.186 5.186 4.623 0.563 25636 4738 1 16 . 1 1 39 39 GLU CA C 39 55.531 55.531 55.164 0.366 25636 4739 1 16 . 1 1 39 39 GLU CB C 39 30.309 30.309 30.455 -0.146 25636 4740 1 16 . 1 1 39 39 GLU H H 39 8.539 8.539 9.039 -0.500 25636 4741 1 16 . 1 1 40 40 VAL N N 40 120.623 120.623 120.394 0.229 25636 4742 1 16 . 1 1 40 40 VAL HA H 40 5.396 5.396 4.807 0.589 25636 4743 1 16 . 1 1 40 40 VAL CA C 40 58.517 58.517 59.399 -0.882 25636 4744 1 16 . 1 1 40 40 VAL CB C 40 34.287 34.287 34.495 -0.208 25636 4745 1 16 . 1 1 40 40 VAL H H 40 8.773 8.773 7.746 1.027 25636 4746 1 16 . 1 1 41 41 GLU N N 41 118.742 118.742 120.792 -2.050 25636 4747 1 16 . 1 1 41 41 GLU HA H 41 4.553 4.553 4.594 -0.041 25636 4748 1 16 . 1 1 41 41 GLU CA C 41 54.359 54.359 55.219 -0.860 25636 4749 1 16 . 1 1 41 41 GLU CB C 41 32.408 32.408 32.312 0.096 25636 4750 1 16 . 1 1 41 41 GLU H H 41 7.973 7.973 8.535 -0.562 25636 4751 1 16 . 1 1 42 42 ALA N N 42 132.540 132.540 127.402 5.138 25636 4752 1 16 . 1 1 42 42 ALA HA H 42 4.662 4.662 4.588 0.074 25636 4753 1 16 . 1 1 42 42 ALA CA C 42 50.446 50.446 51.325 -0.879 25636 4754 1 16 . 1 1 42 42 ALA CB C 42 18.015 18.015 19.683 -1.668 25636 4755 1 16 . 1 1 42 42 ALA H H 42 8.181 8.181 8.519 -0.338 25636 4756 1 16 . 1 1 43 43 LYS N N 43 125.936 125.936 122.248 3.688 25636 4757 1 16 . 1 1 43 43 LYS HA H 43 3.955 3.955 4.411 -0.456 25636 4758 1 16 . 1 1 43 43 LYS CA C 43 59.648 59.648 56.499 3.149 25636 4759 1 16 . 1 1 43 43 LYS CB C 43 34.670 34.670 33.332 1.338 25636 4760 1 16 . 1 1 43 43 LYS H H 43 9.029 9.029 8.907 0.122 25636 4761 1 16 . 1 1 44 44 ASP N N 44 110.443 110.443 116.390 -5.947 25636 4762 1 16 . 1 1 44 44 ASP HA H 44 4.338 4.338 4.635 -0.297 25636 4763 1 16 . 1 1 44 44 ASP CA C 44 53.074 53.074 53.568 -0.494 25636 4764 1 16 . 1 1 44 44 ASP CB C 44 41.337 41.337 41.784 -0.447 25636 4765 1 16 . 1 1 44 44 ASP H H 44 7.463 7.463 7.636 -0.173 25636 4766 1 16 . 1 1 45 45 GLN N N 45 112.575 112.575 115.106 -2.531 25636 4767 1 16 . 1 1 45 45 GLN HA H 45 4.064 4.064 3.908 0.156 25636 4768 1 16 . 1 1 45 45 GLN CA C 45 57.663 57.663 57.627 0.036 25636 4769 1 16 . 1 1 45 45 GLN CB C 45 28.047 28.047 28.847 -0.800 25636 4770 1 16 . 1 1 45 45 GLN H H 45 8.370 8.370 8.353 0.017 25636 4771 1 16 . 1 1 46 46 ASN N N 46 117.659 117.659 119.843 -2.184 25636 4772 1 16 . 1 1 46 46 ASN HA H 46 4.536 4.536 4.767 -0.231 25636 4773 1 16 . 1 1 46 46 ASN CA C 46 55.271 55.271 53.189 2.082 25636 4774 1 16 . 1 1 46 46 ASN CB C 46 38.046 38.046 37.845 0.201 25636 4775 1 16 . 1 1 46 46 ASN H H 46 8.704 8.704 7.982 0.722 25636 4776 1 16 . 1 1 47 47 CYS N N 47 112.520 112.520 122.388 -9.868 25636 4777 1 16 . 1 1 47 47 CYS HA H 47 4.397 4.397 4.612 -0.215 25636 4778 1 16 . 1 1 47 47 CYS CA C 47 55.075 55.075 58.451 -3.376 25636 4779 1 16 . 1 1 47 47 CYS CB C 47 36.199 36.199 28.967 7.232 25636 4780 1 16 . 1 1 47 47 CYS H H 47 8.486 8.486 7.996 0.490 25636 4781 1 16 . 1 1 48 48 LYS N N 48 116.117 116.117 124.463 -8.346 25636 4782 1 16 . 1 1 48 48 LYS HA H 48 4.130 4.130 4.558 -0.428 25636 4783 1 16 . 1 1 48 48 LYS CA C 48 56.865 56.865 54.856 2.009 25636 4784 1 16 . 1 1 48 48 LYS CB C 48 32.180 32.180 34.538 -2.358 25636 4785 1 16 . 1 1 48 48 LYS H H 48 7.970 7.970 8.442 -0.472 25636 4786 1 16 . 1 1 49 49 VAL N N 49 126.872 126.872 120.304 6.568 25636 4787 1 16 . 1 1 49 49 VAL HA H 49 3.632 3.632 4.072 -0.440 25636 4788 1 16 . 1 1 49 49 VAL CA C 49 64.782 64.782 62.879 1.903 25636 4789 1 16 . 1 1 49 49 VAL CB C 49 30.317 30.317 30.633 -0.316 25636 4790 1 16 . 1 1 49 49 VAL H H 49 8.951 8.951 8.555 0.396 25636 4791 1 16 . 1 1 50 50 ILE N N 50 132.487 132.487 126.622 5.865 25636 4792 1 16 . 1 1 50 50 ILE HA H 50 4.135 4.135 4.354 -0.219 25636 4793 1 16 . 1 1 50 50 ILE CA C 50 60.535 60.535 60.385 0.150 25636 4794 1 16 . 1 1 50 50 ILE CB C 50 41.659 41.659 42.100 -0.441 25636 4795 1 16 . 1 1 50 50 ILE H H 50 8.666 8.666 7.640 1.026 25636 4796 1 16 . 1 1 51 51 LEU N N 51 125.179 125.179 123.152 2.027 25636 4797 1 16 . 1 1 51 51 LEU HA H 51 5.250 5.250 5.339 -0.089 25636 4798 1 16 . 1 1 51 51 LEU CA C 51 53.245 53.245 53.353 -0.108 25636 4799 1 16 . 1 1 51 51 LEU CB C 51 41.146 41.146 44.647 -3.501 25636 4800 1 16 . 1 1 51 51 LEU H H 51 8.789 8.789 8.089 0.700 25636 4801 1 16 . 1 1 52 52 THR N N 52 115.511 115.511 112.754 2.757 25636 4802 1 16 . 1 1 52 52 THR HA H 52 4.079 4.079 4.377 -0.298 25636 4803 1 16 . 1 1 52 52 THR CA C 52 63.822 63.822 63.262 0.560 25636 4804 1 16 . 1 1 52 52 THR CB C 52 68.335 68.335 68.848 -0.513 25636 4805 1 16 . 1 1 52 52 THR H H 52 8.528 8.528 8.679 -0.151 25636 4806 1 16 . 1 1 53 53 ASN N N 53 116.941 116.941 119.536 -2.595 25636 4807 1 16 . 1 1 53 53 ASN HA H 53 4.514 4.514 4.748 -0.234 25636 4808 1 16 . 1 1 53 53 ASN CA C 53 52.740 52.740 51.824 0.916 25636 4809 1 16 . 1 1 53 53 ASN CB C 53 37.314 37.314 36.932 0.382 25636 4810 1 16 . 1 1 53 53 ASN H H 53 8.149 8.149 7.843 0.306 25636 4811 1 16 . 1 1 54 54 GLY N N 54 106.580 106.580 106.742 -0.162 25636 4812 1 16 . 1 1 54 54 GLY CA C 54 45.735 45.735 45.840 -0.105 25636 4813 1 16 . 1 1 54 54 GLY H H 54 7.949 7.949 8.468 -0.519 25636 4814 1 16 . 1 1 55 55 LYS N N 55 120.679 120.679 118.403 2.276 25636 4815 1 16 . 1 1 55 55 LYS HA H 55 4.251 4.251 4.596 -0.345 25636 4816 1 16 . 1 1 55 55 LYS CA C 55 55.848 55.848 54.822 1.026 25636 4817 1 16 . 1 1 55 55 LYS CB C 55 32.595 32.595 35.988 -3.393 25636 4818 1 16 . 1 1 55 55 LYS H H 55 7.806 7.806 7.759 0.047 25636 4819 1 16 . 1 1 56 56 GLN N N 56 119.471 119.471 119.806 -0.335 25636 4820 1 16 . 1 1 56 56 GLN HA H 56 4.114 4.114 4.540 -0.426 25636 4821 1 16 . 1 1 56 56 GLN CA C 56 55.865 55.865 54.200 1.665 25636 4822 1 16 . 1 1 56 56 GLN CB C 56 29.228 29.228 31.069 -1.841 25636 4823 1 16 . 1 1 56 56 GLN H H 56 8.241 8.241 8.494 -0.253 25636 4824 1 16 . 1 1 57 57 ALA N N 57 129.241 129.241 125.579 3.662 25636 4825 1 16 . 1 1 57 57 ALA HA H 57 4.136 4.136 3.949 0.187 25636 4826 1 16 . 1 1 57 57 ALA CA C 57 50.210 50.210 50.642 -0.432 25636 4827 1 16 . 1 1 57 57 ALA CB C 57 18.056 18.056 17.590 0.466 25636 4828 1 16 . 1 1 57 57 ALA H H 57 8.667 8.667 8.204 0.463 25636 4829 1 16 . 1 1 58 58 PRO HA H 58 4.181 4.181 4.275 -0.094 25636 4830 1 16 . 1 1 58 58 PRO CA C 58 62.162 62.162 61.732 0.430 25636 4831 1 16 . 1 1 58 58 PRO CB C 58 31.226 31.226 31.759 -0.533 25636 4832 1 16 . 1 1 59 59 ASP N N 59 120.839 120.839 117.000 3.839 25636 4833 1 16 . 1 1 59 59 ASP HA H 59 4.151 4.151 4.501 -0.350 25636 4834 1 16 . 1 1 59 59 ASP CA C 59 56.483 56.483 55.176 1.307 25636 4835 1 16 . 1 1 59 59 ASP CB C 59 40.568 40.568 40.895 -0.327 25636 4836 1 16 . 1 1 59 59 ASP H H 59 8.576 8.576 8.489 0.087 25636 4837 1 16 . 1 1 60 60 TRP N N 60 114.095 114.095 117.044 -2.949 25636 4838 1 16 . 1 1 60 60 TRP HA H 60 4.460 4.460 4.829 -0.369 25636 4839 1 16 . 1 1 60 60 TRP CA C 60 54.579 54.579 55.043 -0.464 25636 4840 1 16 . 1 1 60 60 TRP CB C 60 29.366 29.366 28.646 0.720 25636 4841 1 16 . 1 1 60 60 TRP H H 60 6.701 6.701 7.180 -0.479 25636 4842 1 16 . 1 1 61 61 LEU N N 61 123.142 123.142 121.191 1.951 25636 4843 1 16 . 1 1 61 61 LEU HA H 61 4.743 4.743 4.300 0.443 25636 4844 1 16 . 1 1 61 61 LEU CA C 61 54.839 54.839 53.066 1.773 25636 4845 1 16 . 1 1 61 61 LEU CB C 61 42.083 42.083 43.506 -1.423 25636 4846 1 16 . 1 1 61 61 LEU H H 61 6.541 6.541 6.950 -0.409 25636 4847 1 16 . 1 1 62 62 ALA N N 62 131.106 131.106 125.004 6.102 25636 4848 1 16 . 1 1 62 62 ALA HA H 62 4.644 4.644 4.463 0.181 25636 4849 1 16 . 1 1 62 62 ALA CA C 62 50.478 50.478 51.175 -0.697 25636 4850 1 16 . 1 1 62 62 ALA CB C 62 23.434 23.434 22.148 1.286 25636 4851 1 16 . 1 1 62 62 ALA H H 62 8.993 8.993 7.720 1.273 25636 4852 1 16 . 1 1 63 63 ALA N N 63 118.796 118.796 121.203 -2.407 25636 4853 1 16 . 1 1 63 63 ALA HA H 63 5.633 5.633 4.845 0.788 25636 4854 1 16 . 1 1 63 63 ALA CA C 63 51.143 51.143 52.138 -0.995 25636 4855 1 16 . 1 1 63 63 ALA CB C 63 22.490 22.490 21.259 1.231 25636 4856 1 16 . 1 1 63 63 ALA H H 63 8.139 8.139 8.255 -0.116 25636 4857 1 16 . 1 1 64 64 GLU N N 64 116.715 116.715 123.736 -7.021 25636 4858 1 16 . 1 1 64 64 GLU HA H 64 4.902 4.902 4.923 -0.021 25636 4859 1 16 . 1 1 64 64 GLU CA C 64 53.009 53.009 53.675 -0.666 25636 4860 1 16 . 1 1 64 64 GLU CB C 64 32.619 32.619 31.345 1.274 25636 4861 1 16 . 1 1 64 64 GLU H H 64 8.563 8.563 8.229 0.334 25636 4862 1 16 . 1 1 65 65 PRO HA H 65 5.486 5.486 4.515 0.971 25636 4863 1 16 . 1 1 65 65 PRO CA C 65 62.878 62.878 63.270 -0.392 25636 4864 1 16 . 1 1 65 65 PRO CB C 65 32.606 32.606 32.797 -0.191 25636 4865 1 17 . 1 1 2 2 PRO HA H 2 4.386 4.386 4.534 -0.148 25636 4866 1 17 . 1 1 2 2 PRO CA C 2 62.756 62.756 62.280 0.476 25636 4867 1 17 . 1 1 2 2 PRO CB C 2 32.034 32.034 32.404 -0.369 25636 4868 1 17 . 1 1 3 3 ALA N N 3 124.343 124.343 122.802 1.541 25636 4869 1 17 . 1 1 3 3 ALA HA H 3 4.306 4.306 4.485 -0.179 25636 4870 1 17 . 1 1 3 3 ALA CA C 3 52.756 52.756 51.798 0.958 25636 4871 1 17 . 1 1 3 3 ALA CB C 3 19.935 19.935 19.425 0.510 25636 4872 1 17 . 1 1 3 3 ALA H H 3 8.192 8.192 8.225 -0.033 25636 4873 1 17 . 1 1 4 4 ARG N N 4 119.928 119.928 122.869 -2.941 25636 4874 1 17 . 1 1 4 4 ARG HA H 4 4.323 4.323 4.544 -0.221 25636 4875 1 17 . 1 1 4 4 ARG CA C 4 56.231 56.231 55.250 0.981 25636 4876 1 17 . 1 1 4 4 ARG CB C 4 33.629 33.629 31.534 2.095 25636 4877 1 17 . 1 1 4 4 ARG H H 4 9.195 9.195 8.382 0.813 25636 4878 1 17 . 1 1 5 5 PHE N N 5 119.084 119.084 120.096 -1.012 25636 4879 1 17 . 1 1 5 5 PHE HA H 5 5.321 5.321 4.743 0.578 25636 4880 1 17 . 1 1 5 5 PHE CA C 5 56.914 56.914 57.253 -0.339 25636 4881 1 17 . 1 1 5 5 PHE CB C 5 43.554 43.554 43.354 0.200 25636 4882 1 17 . 1 1 5 5 PHE H H 5 9.242 9.242 8.259 0.983 25636 4883 1 17 . 1 1 6 6 CYS N N 6 116.173 116.173 118.862 -2.689 25636 4884 1 17 . 1 1 6 6 CYS HA H 6 5.281 5.281 5.023 0.258 25636 4885 1 17 . 1 1 6 6 CYS CA C 6 54.262 54.262 58.343 -4.081 25636 4886 1 17 . 1 1 6 6 CYS CB C 6 39.730 39.730 29.872 9.858 25636 4887 1 17 . 1 1 6 6 CYS H H 6 9.204 9.204 8.657 0.547 25636 4888 1 17 . 1 1 7 7 VAL N N 7 126.228 126.228 117.739 8.489 25636 4889 1 17 . 1 1 7 7 VAL HA H 7 4.314 4.314 4.657 -0.343 25636 4890 1 17 . 1 1 7 7 VAL CA C 7 60.665 60.665 59.791 0.874 25636 4891 1 17 . 1 1 7 7 VAL CB C 7 32.359 32.359 34.382 -2.023 25636 4892 1 17 . 1 1 7 7 VAL H H 7 9.474 9.474 8.997 0.477 25636 4893 1 17 . 1 1 8 8 TYR N N 8 123.478 123.478 123.719 -0.241 25636 4894 1 17 . 1 1 8 8 TYR HA H 8 5.120 5.120 4.766 0.354 25636 4895 1 17 . 1 1 8 8 TYR CA C 8 57.174 57.174 56.521 0.653 25636 4896 1 17 . 1 1 8 8 TYR CB C 8 40.918 40.918 41.442 -0.524 25636 4897 1 17 . 1 1 8 8 TYR H H 8 8.195 8.195 7.720 0.475 25636 4898 1 17 . 1 1 9 9 TYR N N 9 119.745 119.745 122.724 -2.979 25636 4899 1 17 . 1 1 9 9 TYR HA H 9 5.209 5.209 4.785 0.424 25636 4900 1 17 . 1 1 9 9 TYR CA C 9 56.930 56.930 56.863 0.067 25636 4901 1 17 . 1 1 9 9 TYR CB C 9 44.026 44.026 42.102 1.924 25636 4902 1 17 . 1 1 9 9 TYR H H 9 9.410 9.410 7.680 1.730 25636 4903 1 17 . 1 1 10 10 ASP N N 10 118.515 118.515 118.564 -0.049 25636 4904 1 17 . 1 1 10 10 ASP HA H 10 5.203 5.203 5.020 0.183 25636 4905 1 17 . 1 1 10 10 ASP CA C 10 52.879 52.879 52.843 0.036 25636 4906 1 17 . 1 1 10 10 ASP CB C 10 41.522 41.522 44.983 -3.461 25636 4907 1 17 . 1 1 10 10 ASP H H 10 8.948 8.948 8.393 0.555 25636 4908 1 17 . 1 1 11 11 GLY N N 11 114.853 114.853 108.876 5.977 25636 4909 1 17 . 1 1 11 11 GLY CA C 11 44.213 44.213 46.686 -2.473 25636 4910 1 17 . 1 1 11 11 GLY H H 11 9.014 9.014 8.723 0.291 25636 4911 1 17 . 1 1 12 12 HIS N N 12 114.423 114.423 122.540 -8.117 25636 4912 1 17 . 1 1 12 12 HIS HA H 12 4.415 4.415 4.460 -0.045 25636 4913 1 17 . 1 1 12 12 HIS CA C 12 56.572 56.572 55.022 1.550 25636 4914 1 17 . 1 1 12 12 HIS CB C 12 32.017 32.017 32.694 -0.677 25636 4915 1 17 . 1 1 12 12 HIS H H 12 8.133 8.133 8.204 -0.071 25636 4916 1 17 . 1 1 13 13 LEU N N 13 123.763 123.763 125.019 -1.256 25636 4917 1 17 . 1 1 13 13 LEU HA H 13 4.777 4.777 4.221 0.556 25636 4918 1 17 . 1 1 13 13 LEU CA C 13 52.049 52.049 54.215 -2.166 25636 4919 1 17 . 1 1 13 13 LEU CB C 13 41.569 41.569 42.324 -0.755 25636 4920 1 17 . 1 1 13 13 LEU H H 13 8.385 8.385 8.415 -0.030 25636 4921 1 17 . 1 1 14 14 PRO HA H 14 3.707 3.707 4.306 -0.599 25636 4922 1 17 . 1 1 14 14 PRO CA C 14 65.579 65.579 63.936 1.643 25636 4923 1 17 . 1 1 14 14 PRO CB C 14 31.895 31.895 32.099 -0.204 25636 4924 1 17 . 1 1 15 15 ALA N N 15 115.114 115.114 120.599 -5.485 25636 4925 1 17 . 1 1 15 15 ALA HA H 15 4.149 4.149 4.250 -0.101 25636 4926 1 17 . 1 1 15 15 ALA CA C 15 54.628 54.628 53.782 0.846 25636 4927 1 17 . 1 1 15 15 ALA CB C 15 19.577 19.577 19.080 0.497 25636 4928 1 17 . 1 1 15 15 ALA H H 15 8.162 8.162 8.003 0.159 25636 4929 1 17 . 1 1 16 16 THR N N 16 102.057 102.057 111.568 -9.511 25636 4930 1 17 . 1 1 16 16 THR HA H 16 4.553 4.553 4.537 0.016 25636 4931 1 17 . 1 1 16 16 THR CA C 16 60.331 60.331 61.092 -0.761 25636 4932 1 17 . 1 1 16 16 THR CB C 16 70.574 70.574 69.752 0.822 25636 4933 1 17 . 1 1 16 16 THR H H 16 7.153 7.153 7.596 -0.443 25636 4934 1 17 . 1 1 17 17 ARG N N 17 122.509 122.509 123.836 -1.327 25636 4935 1 17 . 1 1 17 17 ARG HA H 17 4.716 4.716 4.289 0.427 25636 4936 1 17 . 1 1 17 17 ARG CA C 17 56.296 56.296 57.322 -1.026 25636 4937 1 17 . 1 1 17 17 ARG CB C 17 30.021 30.021 30.751 -0.730 25636 4938 1 17 . 1 1 17 17 ARG H H 17 7.901 7.901 7.561 0.340 25636 4939 1 17 . 1 1 18 18 VAL N N 18 122.027 122.027 120.239 1.788 25636 4940 1 17 . 1 1 18 18 VAL HA H 18 4.293 4.293 4.300 -0.007 25636 4941 1 17 . 1 1 18 18 VAL CA C 18 61.462 61.462 61.803 -0.341 25636 4942 1 17 . 1 1 18 18 VAL CB C 18 35.247 35.247 34.876 0.371 25636 4943 1 17 . 1 1 18 18 VAL H H 18 8.568 8.568 8.590 -0.022 25636 4944 1 17 . 1 1 19 19 LEU N N 19 130.327 130.327 126.815 3.512 25636 4945 1 17 . 1 1 19 19 LEU HA H 19 3.718 3.718 4.410 -0.692 25636 4946 1 17 . 1 1 19 19 LEU CA C 19 57.467 57.467 55.136 2.331 25636 4947 1 17 . 1 1 19 19 LEU CB C 19 41.862 41.862 42.712 -0.850 25636 4948 1 17 . 1 1 19 19 LEU H H 19 8.670 8.670 8.485 0.185 25636 4949 1 17 . 1 1 20 20 LEU N N 20 126.389 126.389 128.820 -2.431 25636 4950 1 17 . 1 1 20 20 LEU HA H 20 4.588 4.588 4.345 0.243 25636 4951 1 17 . 1 1 20 20 LEU CA C 20 55.873 55.873 56.281 -0.408 25636 4952 1 17 . 1 1 20 20 LEU CB C 20 42.513 42.513 42.950 -0.437 25636 4953 1 17 . 1 1 20 20 LEU H H 20 9.236 9.236 8.162 1.074 25636 4954 1 17 . 1 1 21 21 MET N N 21 114.450 114.450 111.857 2.593 25636 4955 1 17 . 1 1 21 21 MET HA H 21 4.423 4.423 4.591 -0.168 25636 4956 1 17 . 1 1 21 21 MET CA C 21 56.214 56.214 54.882 1.332 25636 4957 1 17 . 1 1 21 21 MET CB C 21 36.964 36.964 36.696 0.269 25636 4958 1 17 . 1 1 21 21 MET H H 21 7.022 7.022 7.358 -0.336 25636 4959 1 17 . 1 1 22 22 TYR N N 22 123.123 123.123 119.974 3.149 25636 4960 1 17 . 1 1 22 22 TYR HA H 22 4.777 4.777 4.524 0.253 25636 4961 1 17 . 1 1 22 22 TYR CA C 22 57.988 57.988 58.569 -0.581 25636 4962 1 17 . 1 1 22 22 TYR CB C 22 39.356 39.356 39.189 0.167 25636 4963 1 17 . 1 1 22 22 TYR H H 22 8.515 8.515 8.621 -0.106 25636 4964 1 17 . 1 1 23 23 VAL N N 23 123.811 123.811 123.285 0.526 25636 4965 1 17 . 1 1 23 23 VAL HA H 23 4.371 4.371 4.431 -0.060 25636 4966 1 17 . 1 1 23 23 VAL CA C 23 61.503 61.503 61.347 0.156 25636 4967 1 17 . 1 1 23 23 VAL CB C 23 35.418 35.418 33.781 1.637 25636 4968 1 17 . 1 1 23 23 VAL H H 23 9.417 9.417 8.872 0.545 25636 4969 1 17 . 1 1 24 24 ARG N N 24 129.194 129.194 128.096 1.098 25636 4970 1 17 . 1 1 24 24 ARG HA H 24 3.885 3.885 4.416 -0.531 25636 4971 1 17 . 1 1 24 24 ARG CA C 24 56.784 56.784 56.326 0.458 25636 4972 1 17 . 1 1 24 24 ARG CB C 24 30.178 30.178 31.455 -1.277 25636 4973 1 17 . 1 1 24 24 ARG H H 24 8.892 8.892 8.813 0.079 25636 4974 1 17 . 1 1 25 25 ILE N N 25 128.158 128.158 126.696 1.462 25636 4975 1 17 . 1 1 25 25 ILE HA H 25 3.655 3.655 4.029 -0.374 25636 4976 1 17 . 1 1 25 25 ILE CA C 25 64.879 64.879 61.373 3.506 25636 4977 1 17 . 1 1 25 25 ILE CB C 25 37.154 37.154 35.413 1.741 25636 4978 1 17 . 1 1 25 25 ILE H H 25 8.312 8.312 8.353 -0.041 25636 4979 1 17 . 1 1 26 26 GLY N N 26 115.464 115.464 110.589 4.875 25636 4980 1 17 . 1 1 26 26 GLY CA C 26 44.352 44.352 45.364 -1.012 25636 4981 1 17 . 1 1 26 26 GLY H H 26 9.389 9.389 8.262 1.127 25636 4982 1 17 . 1 1 27 27 THR N N 27 111.341 111.341 114.882 -3.541 25636 4983 1 17 . 1 1 27 27 THR HA H 27 4.926 4.926 4.574 0.352 25636 4984 1 17 . 1 1 27 27 THR CA C 27 60.299 60.299 60.898 -0.599 25636 4985 1 17 . 1 1 27 27 THR CB C 27 72.194 72.194 70.448 1.746 25636 4986 1 17 . 1 1 27 27 THR H H 27 7.877 7.877 7.591 0.286 25636 4987 1 17 . 1 1 28 28 THR N N 28 108.952 108.952 115.370 -6.418 25636 4988 1 17 . 1 1 28 28 THR HA H 28 5.353 5.353 4.532 0.821 25636 4989 1 17 . 1 1 28 28 THR CA C 28 59.143 59.143 61.331 -2.188 25636 4990 1 17 . 1 1 28 28 THR CB C 28 71.706 71.706 69.433 2.272 25636 4991 1 17 . 1 1 28 28 THR H H 28 7.732 7.732 8.210 -0.478 25636 4992 1 17 . 1 1 29 29 ALA N N 29 122.383 122.383 129.526 -7.143 25636 4993 1 17 . 1 1 29 29 ALA HA H 29 4.621 4.621 4.641 -0.020 25636 4994 1 17 . 1 1 29 29 ALA CA C 29 51.796 51.796 51.170 0.626 25636 4995 1 17 . 1 1 29 29 ALA CB C 29 24.556 24.556 21.506 3.050 25636 4996 1 17 . 1 1 29 29 ALA H H 29 8.634 8.634 8.281 0.353 25636 4997 1 17 . 1 1 30 30 THR N N 30 115.881 115.881 114.985 0.896 25636 4998 1 17 . 1 1 30 30 THR HA H 30 4.885 4.885 4.761 0.124 25636 4999 1 17 . 1 1 30 30 THR CA C 30 62.300 62.300 61.766 0.534 25636 5000 1 17 . 1 1 30 30 THR CB C 30 69.265 69.265 69.569 -0.304 25636 5001 1 17 . 1 1 30 30 THR H H 30 8.317 8.317 8.196 0.121 25636 5002 1 17 . 1 1 31 31 ILE N N 31 126.005 126.005 127.684 -1.679 25636 5003 1 17 . 1 1 31 31 ILE HA H 31 4.388 4.388 4.357 0.031 25636 5004 1 17 . 1 1 31 31 ILE CA C 31 59.562 59.562 60.671 -1.109 25636 5005 1 17 . 1 1 31 31 ILE CB C 31 40.634 40.634 39.891 0.743 25636 5006 1 17 . 1 1 31 31 ILE H H 31 9.166 9.166 9.039 0.127 25636 5007 1 17 . 1 1 32 32 THR N N 32 120.162 120.162 120.516 -0.354 25636 5008 1 17 . 1 1 32 32 THR HA H 32 5.300 5.300 5.241 0.059 25636 5009 1 17 . 1 1 32 32 THR CA C 32 60.885 60.885 60.439 0.446 25636 5010 1 17 . 1 1 32 32 THR CB C 32 69.867 69.867 68.758 1.109 25636 5011 1 17 . 1 1 32 32 THR H H 32 8.441 8.441 8.425 0.016 25636 5012 1 17 . 1 1 33 33 ALA N N 33 127.525 127.525 127.713 -0.188 25636 5013 1 17 . 1 1 33 33 ALA HA H 33 4.644 4.644 4.761 -0.117 25636 5014 1 17 . 1 1 33 33 ALA CA C 33 51.975 51.975 51.378 0.597 25636 5015 1 17 . 1 1 33 33 ALA CB C 33 22.897 22.897 21.740 1.157 25636 5016 1 17 . 1 1 33 33 ALA H H 33 9.130 9.130 8.359 0.771 25636 5017 1 17 . 1 1 34 34 ARG N N 34 118.330 118.330 121.547 -3.217 25636 5018 1 17 . 1 1 34 34 ARG HA H 34 3.814 3.814 4.076 -0.262 25636 5019 1 17 . 1 1 34 34 ARG CA C 34 57.028 57.028 56.709 0.320 25636 5020 1 17 . 1 1 34 34 ARG CB C 34 27.337 27.337 28.680 -1.343 25636 5021 1 17 . 1 1 34 34 ARG H H 34 9.232 9.232 9.182 0.050 25636 5022 1 17 . 1 1 35 35 GLY N N 35 104.002 104.002 103.865 0.137 25636 5023 1 17 . 1 1 35 35 GLY CA C 35 45.368 45.368 45.502 -0.134 25636 5024 1 17 . 1 1 35 35 GLY H H 35 8.642 8.642 8.658 -0.016 25636 5025 1 17 . 1 1 36 36 HIS N N 36 119.875 119.875 118.417 1.458 25636 5026 1 17 . 1 1 36 36 HIS HA H 36 4.703 4.703 4.662 0.041 25636 5027 1 17 . 1 1 36 36 HIS CA C 36 54.376 54.376 54.796 -0.420 25636 5028 1 17 . 1 1 36 36 HIS CB C 36 32.880 32.880 33.242 -0.362 25636 5029 1 17 . 1 1 36 36 HIS H H 36 8.188 8.188 7.997 0.191 25636 5030 1 17 . 1 1 37 37 GLU N N 37 119.578 119.578 120.111 -0.533 25636 5031 1 17 . 1 1 37 37 GLU HA H 37 5.018 5.018 4.874 0.144 25636 5032 1 17 . 1 1 37 37 GLU CA C 37 55.092 55.092 54.873 0.219 25636 5033 1 17 . 1 1 37 37 GLU CB C 37 31.863 31.863 31.091 0.772 25636 5034 1 17 . 1 1 37 37 GLU H H 37 7.991 7.991 8.336 -0.345 25636 5035 1 17 . 1 1 38 38 PHE N N 38 121.593 121.593 123.691 -2.098 25636 5036 1 17 . 1 1 38 38 PHE HA H 38 4.755 4.755 4.847 -0.092 25636 5037 1 17 . 1 1 38 38 PHE CA C 38 56.442 56.442 55.803 0.639 25636 5038 1 17 . 1 1 38 38 PHE CB C 38 41.569 41.569 41.260 0.309 25636 5039 1 17 . 1 1 38 38 PHE H H 38 9.149 9.149 9.024 0.125 25636 5040 1 17 . 1 1 39 39 GLU N N 39 125.332 125.332 126.201 -0.869 25636 5041 1 17 . 1 1 39 39 GLU HA H 39 5.186 5.186 4.805 0.381 25636 5042 1 17 . 1 1 39 39 GLU CA C 39 55.531 55.531 54.861 0.670 25636 5043 1 17 . 1 1 39 39 GLU CB C 39 30.309 30.309 30.316 -0.007 25636 5044 1 17 . 1 1 39 39 GLU H H 39 8.539 8.539 9.042 -0.503 25636 5045 1 17 . 1 1 40 40 VAL N N 40 120.623 120.623 120.338 0.285 25636 5046 1 17 . 1 1 40 40 VAL HA H 40 5.396 5.396 4.976 0.420 25636 5047 1 17 . 1 1 40 40 VAL CA C 40 58.517 58.517 59.002 -0.485 25636 5048 1 17 . 1 1 40 40 VAL CB C 40 34.287 34.287 33.970 0.317 25636 5049 1 17 . 1 1 40 40 VAL H H 40 8.773 8.773 7.641 1.132 25636 5050 1 17 . 1 1 41 41 GLU N N 41 118.742 118.742 120.757 -2.015 25636 5051 1 17 . 1 1 41 41 GLU HA H 41 4.553 4.553 4.461 0.092 25636 5052 1 17 . 1 1 41 41 GLU CA C 41 54.359 54.359 55.411 -1.052 25636 5053 1 17 . 1 1 41 41 GLU CB C 41 32.408 32.408 32.300 0.108 25636 5054 1 17 . 1 1 41 41 GLU H H 41 7.973 7.973 8.475 -0.502 25636 5055 1 17 . 1 1 42 42 ALA N N 42 132.540 132.540 128.136 4.404 25636 5056 1 17 . 1 1 42 42 ALA HA H 42 4.662 4.662 4.589 0.073 25636 5057 1 17 . 1 1 42 42 ALA CA C 42 50.446 50.446 51.423 -0.977 25636 5058 1 17 . 1 1 42 42 ALA CB C 42 18.015 18.015 20.129 -2.114 25636 5059 1 17 . 1 1 42 42 ALA H H 42 8.181 8.181 8.502 -0.321 25636 5060 1 17 . 1 1 43 43 LYS N N 43 125.936 125.936 122.112 3.824 25636 5061 1 17 . 1 1 43 43 LYS HA H 43 3.955 3.955 4.544 -0.589 25636 5062 1 17 . 1 1 43 43 LYS CA C 43 59.648 59.648 56.501 3.147 25636 5063 1 17 . 1 1 43 43 LYS CB C 43 34.670 34.670 34.059 0.611 25636 5064 1 17 . 1 1 43 43 LYS H H 43 9.029 9.029 8.877 0.152 25636 5065 1 17 . 1 1 44 44 ASP N N 44 110.443 110.443 116.210 -5.767 25636 5066 1 17 . 1 1 44 44 ASP HA H 44 4.338 4.338 4.720 -0.382 25636 5067 1 17 . 1 1 44 44 ASP CA C 44 53.074 53.074 53.694 -0.620 25636 5068 1 17 . 1 1 44 44 ASP CB C 44 41.337 41.337 42.657 -1.320 25636 5069 1 17 . 1 1 44 44 ASP H H 44 7.463 7.463 7.834 -0.371 25636 5070 1 17 . 1 1 45 45 GLN N N 45 112.575 112.575 117.352 -4.777 25636 5071 1 17 . 1 1 45 45 GLN HA H 45 4.064 4.064 3.979 0.085 25636 5072 1 17 . 1 1 45 45 GLN CA C 45 57.663 57.663 58.114 -0.451 25636 5073 1 17 . 1 1 45 45 GLN CB C 45 28.047 28.047 28.850 -0.803 25636 5074 1 17 . 1 1 45 45 GLN H H 45 8.370 8.370 8.376 -0.006 25636 5075 1 17 . 1 1 46 46 ASN N N 46 117.659 117.659 118.971 -1.312 25636 5076 1 17 . 1 1 46 46 ASN HA H 46 4.536 4.536 4.719 -0.183 25636 5077 1 17 . 1 1 46 46 ASN CA C 46 55.271 55.271 53.260 2.011 25636 5078 1 17 . 1 1 46 46 ASN CB C 46 38.046 38.046 38.181 -0.135 25636 5079 1 17 . 1 1 46 46 ASN H H 46 8.704 8.704 8.224 0.480 25636 5080 1 17 . 1 1 47 47 CYS N N 47 112.520 112.520 121.871 -9.351 25636 5081 1 17 . 1 1 47 47 CYS HA H 47 4.397 4.397 4.632 -0.235 25636 5082 1 17 . 1 1 47 47 CYS CA C 47 55.075 55.075 58.478 -3.403 25636 5083 1 17 . 1 1 47 47 CYS CB C 47 36.199 36.199 28.082 8.117 25636 5084 1 17 . 1 1 47 47 CYS H H 47 8.486 8.486 8.105 0.381 25636 5085 1 17 . 1 1 48 48 LYS N N 48 116.117 116.117 124.042 -7.925 25636 5086 1 17 . 1 1 48 48 LYS HA H 48 4.130 4.130 4.600 -0.470 25636 5087 1 17 . 1 1 48 48 LYS CA C 48 56.865 56.865 55.261 1.604 25636 5088 1 17 . 1 1 48 48 LYS CB C 48 32.180 32.180 33.835 -1.655 25636 5089 1 17 . 1 1 48 48 LYS H H 48 7.970 7.970 8.472 -0.502 25636 5090 1 17 . 1 1 49 49 VAL N N 49 126.872 126.872 117.529 9.343 25636 5091 1 17 . 1 1 49 49 VAL HA H 49 3.632 3.632 4.550 -0.918 25636 5092 1 17 . 1 1 49 49 VAL CA C 49 64.782 64.782 60.511 4.271 25636 5093 1 17 . 1 1 49 49 VAL CB C 49 30.317 30.317 30.847 -0.530 25636 5094 1 17 . 1 1 49 49 VAL H H 49 8.951 8.951 8.273 0.678 25636 5095 1 17 . 1 1 50 50 ILE N N 50 132.487 132.487 126.285 6.202 25636 5096 1 17 . 1 1 50 50 ILE HA H 50 4.135 4.135 4.497 -0.362 25636 5097 1 17 . 1 1 50 50 ILE CA C 50 60.535 60.535 60.703 -0.168 25636 5098 1 17 . 1 1 50 50 ILE CB C 50 41.659 41.659 41.565 0.094 25636 5099 1 17 . 1 1 50 50 ILE H H 50 8.666 8.666 8.025 0.641 25636 5100 1 17 . 1 1 51 51 LEU N N 51 125.179 125.179 124.251 0.928 25636 5101 1 17 . 1 1 51 51 LEU HA H 51 5.250 5.250 5.295 -0.045 25636 5102 1 17 . 1 1 51 51 LEU CA C 51 53.245 53.245 53.304 -0.059 25636 5103 1 17 . 1 1 51 51 LEU CB C 51 41.146 41.146 44.367 -3.221 25636 5104 1 17 . 1 1 51 51 LEU H H 51 8.789 8.789 8.287 0.502 25636 5105 1 17 . 1 1 52 52 THR N N 52 115.511 115.511 116.292 -0.781 25636 5106 1 17 . 1 1 52 52 THR HA H 52 4.079 4.079 4.262 -0.183 25636 5107 1 17 . 1 1 52 52 THR CA C 52 63.822 63.822 63.200 0.622 25636 5108 1 17 . 1 1 52 52 THR CB C 52 68.335 68.335 68.540 -0.205 25636 5109 1 17 . 1 1 52 52 THR H H 52 8.528 8.528 8.362 0.166 25636 5110 1 17 . 1 1 53 53 ASN N N 53 116.941 116.941 119.025 -2.084 25636 5111 1 17 . 1 1 53 53 ASN HA H 53 4.514 4.514 4.767 -0.253 25636 5112 1 17 . 1 1 53 53 ASN CA C 53 52.740 52.740 52.507 0.234 25636 5113 1 17 . 1 1 53 53 ASN CB C 53 37.314 37.314 37.204 0.110 25636 5114 1 17 . 1 1 53 53 ASN H H 53 8.149 8.149 7.916 0.233 25636 5115 1 17 . 1 1 54 54 GLY N N 54 106.580 106.580 108.639 -2.059 25636 5116 1 17 . 1 1 54 54 GLY CA C 54 45.735 45.735 45.792 -0.057 25636 5117 1 17 . 1 1 54 54 GLY H H 54 7.949 7.949 8.444 -0.495 25636 5118 1 17 . 1 1 55 55 LYS N N 55 120.679 120.679 120.878 -0.199 25636 5119 1 17 . 1 1 55 55 LYS HA H 55 4.251 4.251 4.572 -0.321 25636 5120 1 17 . 1 1 55 55 LYS CA C 55 55.848 55.848 55.013 0.835 25636 5121 1 17 . 1 1 55 55 LYS CB C 55 32.595 32.595 34.600 -2.006 25636 5122 1 17 . 1 1 55 55 LYS H H 55 7.806 7.806 7.775 0.031 25636 5123 1 17 . 1 1 56 56 GLN N N 56 119.471 119.471 122.888 -3.417 25636 5124 1 17 . 1 1 56 56 GLN HA H 56 4.114 4.114 4.221 -0.107 25636 5125 1 17 . 1 1 56 56 GLN CA C 56 55.865 55.865 55.345 0.520 25636 5126 1 17 . 1 1 56 56 GLN CB C 56 29.228 29.228 29.295 -0.067 25636 5127 1 17 . 1 1 56 56 GLN H H 56 8.241 8.241 8.383 -0.142 25636 5128 1 17 . 1 1 57 57 ALA N N 57 129.241 129.241 125.962 3.279 25636 5129 1 17 . 1 1 57 57 ALA HA H 57 4.136 4.136 3.966 0.170 25636 5130 1 17 . 1 1 57 57 ALA CA C 57 50.210 50.210 51.313 -1.103 25636 5131 1 17 . 1 1 57 57 ALA CB C 57 18.056 18.056 17.567 0.489 25636 5132 1 17 . 1 1 57 57 ALA H H 57 8.667 8.667 8.217 0.450 25636 5133 1 17 . 1 1 58 58 PRO HA H 58 4.181 4.181 4.291 -0.110 25636 5134 1 17 . 1 1 58 58 PRO CA C 58 62.162 62.162 61.923 0.239 25636 5135 1 17 . 1 1 58 58 PRO CB C 58 31.226 31.226 31.883 -0.657 25636 5136 1 17 . 1 1 59 59 ASP N N 59 120.839 120.839 116.967 3.872 25636 5137 1 17 . 1 1 59 59 ASP HA H 59 4.151 4.151 4.495 -0.344 25636 5138 1 17 . 1 1 59 59 ASP CA C 59 56.483 56.483 55.486 0.997 25636 5139 1 17 . 1 1 59 59 ASP CB C 59 40.568 40.568 41.059 -0.491 25636 5140 1 17 . 1 1 59 59 ASP H H 59 8.576 8.576 8.466 0.110 25636 5141 1 17 . 1 1 60 60 TRP N N 60 114.095 114.095 117.126 -3.031 25636 5142 1 17 . 1 1 60 60 TRP HA H 60 4.460 4.460 4.868 -0.408 25636 5143 1 17 . 1 1 60 60 TRP CA C 60 54.579 54.579 55.112 -0.533 25636 5144 1 17 . 1 1 60 60 TRP CB C 60 29.366 29.366 28.629 0.737 25636 5145 1 17 . 1 1 60 60 TRP H H 60 6.701 6.701 7.211 -0.510 25636 5146 1 17 . 1 1 61 61 LEU N N 61 123.142 123.142 121.156 1.986 25636 5147 1 17 . 1 1 61 61 LEU HA H 61 4.743 4.743 4.297 0.446 25636 5148 1 17 . 1 1 61 61 LEU CA C 61 54.839 54.839 53.087 1.752 25636 5149 1 17 . 1 1 61 61 LEU CB C 61 42.083 42.083 43.535 -1.452 25636 5150 1 17 . 1 1 61 61 LEU H H 61 6.541 6.541 6.968 -0.427 25636 5151 1 17 . 1 1 62 62 ALA N N 62 131.106 131.106 125.627 5.479 25636 5152 1 17 . 1 1 62 62 ALA HA H 62 4.644 4.644 4.534 0.110 25636 5153 1 17 . 1 1 62 62 ALA CA C 62 50.478 50.478 51.102 -0.624 25636 5154 1 17 . 1 1 62 62 ALA CB C 62 23.434 23.434 21.558 1.876 25636 5155 1 17 . 1 1 62 62 ALA H H 62 8.993 8.993 7.690 1.303 25636 5156 1 17 . 1 1 63 63 ALA N N 63 118.796 118.796 121.511 -2.715 25636 5157 1 17 . 1 1 63 63 ALA HA H 63 5.633 5.633 4.944 0.689 25636 5158 1 17 . 1 1 63 63 ALA CA C 63 51.143 51.143 52.004 -0.861 25636 5159 1 17 . 1 1 63 63 ALA CB C 63 22.490 22.490 20.770 1.720 25636 5160 1 17 . 1 1 63 63 ALA H H 63 8.139 8.139 8.340 -0.201 25636 5161 1 17 . 1 1 64 64 GLU N N 64 116.715 116.715 123.853 -7.138 25636 5162 1 17 . 1 1 64 64 GLU HA H 64 4.902 4.902 4.957 -0.055 25636 5163 1 17 . 1 1 64 64 GLU CA C 64 53.009 53.009 52.976 0.033 25636 5164 1 17 . 1 1 64 64 GLU CB C 64 32.619 32.619 31.803 0.816 25636 5165 1 17 . 1 1 64 64 GLU H H 64 8.563 8.563 8.109 0.454 25636 5166 1 17 . 1 1 65 65 PRO HA H 65 5.486 5.486 4.571 0.915 25636 5167 1 17 . 1 1 65 65 PRO CA C 65 62.878 62.878 63.134 -0.256 25636 5168 1 17 . 1 1 65 65 PRO CB C 65 32.606 32.606 32.468 0.138 25636 5169 1 18 . 1 1 2 2 PRO HA H 2 4.386 4.386 4.646 -0.260 25636 5170 1 18 . 1 1 2 2 PRO CA C 2 62.756 62.756 62.704 0.052 25636 5171 1 18 . 1 1 2 2 PRO CB C 2 32.034 32.034 32.991 -0.957 25636 5172 1 18 . 1 1 3 3 ALA N N 3 124.343 124.343 124.531 -0.188 25636 5173 1 18 . 1 1 3 3 ALA HA H 3 4.306 4.306 4.728 -0.422 25636 5174 1 18 . 1 1 3 3 ALA CA C 3 52.756 52.756 51.602 1.155 25636 5175 1 18 . 1 1 3 3 ALA CB C 3 19.935 19.935 20.725 -0.790 25636 5176 1 18 . 1 1 3 3 ALA H H 3 8.192 8.192 8.394 -0.202 25636 5177 1 18 . 1 1 4 4 ARG N N 4 119.928 119.928 121.883 -1.955 25636 5178 1 18 . 1 1 4 4 ARG HA H 4 4.323 4.323 4.824 -0.501 25636 5179 1 18 . 1 1 4 4 ARG CA C 4 56.231 56.231 55.422 0.809 25636 5180 1 18 . 1 1 4 4 ARG CB C 4 33.629 33.629 31.496 2.133 25636 5181 1 18 . 1 1 4 4 ARG H H 4 9.195 9.195 8.456 0.739 25636 5182 1 18 . 1 1 5 5 PHE N N 5 119.084 119.084 120.083 -0.999 25636 5183 1 18 . 1 1 5 5 PHE HA H 5 5.321 5.321 4.824 0.497 25636 5184 1 18 . 1 1 5 5 PHE CA C 5 56.914 56.914 56.888 0.027 25636 5185 1 18 . 1 1 5 5 PHE CB C 5 43.554 43.554 42.910 0.644 25636 5186 1 18 . 1 1 5 5 PHE H H 5 9.242 9.242 8.517 0.725 25636 5187 1 18 . 1 1 6 6 CYS N N 6 116.173 116.173 119.364 -3.191 25636 5188 1 18 . 1 1 6 6 CYS HA H 6 5.281 5.281 4.917 0.364 25636 5189 1 18 . 1 1 6 6 CYS CA C 6 54.262 54.262 58.665 -4.403 25636 5190 1 18 . 1 1 6 6 CYS CB C 6 39.730 39.730 30.473 9.257 25636 5191 1 18 . 1 1 6 6 CYS H H 6 9.204 9.204 8.542 0.662 25636 5192 1 18 . 1 1 7 7 VAL N N 7 126.228 126.228 120.798 5.430 25636 5193 1 18 . 1 1 7 7 VAL HA H 7 4.314 4.314 4.395 -0.081 25636 5194 1 18 . 1 1 7 7 VAL CA C 7 60.665 60.665 60.710 -0.045 25636 5195 1 18 . 1 1 7 7 VAL CB C 7 32.359 32.359 34.808 -2.449 25636 5196 1 18 . 1 1 7 7 VAL H H 7 9.474 9.474 8.936 0.538 25636 5197 1 18 . 1 1 8 8 TYR N N 8 123.478 123.478 123.872 -0.394 25636 5198 1 18 . 1 1 8 8 TYR HA H 8 5.120 5.120 4.678 0.442 25636 5199 1 18 . 1 1 8 8 TYR CA C 8 57.174 57.174 56.381 0.793 25636 5200 1 18 . 1 1 8 8 TYR CB C 8 40.918 40.918 41.978 -1.060 25636 5201 1 18 . 1 1 8 8 TYR H H 8 8.195 8.195 7.757 0.438 25636 5202 1 18 . 1 1 9 9 TYR N N 9 119.745 119.745 121.694 -1.949 25636 5203 1 18 . 1 1 9 9 TYR HA H 9 5.209 5.209 4.798 0.411 25636 5204 1 18 . 1 1 9 9 TYR CA C 9 56.930 56.930 56.759 0.171 25636 5205 1 18 . 1 1 9 9 TYR CB C 9 44.026 44.026 42.518 1.508 25636 5206 1 18 . 1 1 9 9 TYR H H 9 9.410 9.410 7.711 1.699 25636 5207 1 18 . 1 1 10 10 ASP N N 10 118.515 118.515 118.747 -0.232 25636 5208 1 18 . 1 1 10 10 ASP HA H 10 5.203 5.203 5.069 0.134 25636 5209 1 18 . 1 1 10 10 ASP CA C 10 52.879 52.879 52.841 0.038 25636 5210 1 18 . 1 1 10 10 ASP CB C 10 41.522 41.522 45.193 -3.671 25636 5211 1 18 . 1 1 10 10 ASP H H 10 8.948 8.948 8.429 0.519 25636 5212 1 18 . 1 1 11 11 GLY N N 11 114.853 114.853 109.526 5.327 25636 5213 1 18 . 1 1 11 11 GLY CA C 11 44.213 44.213 46.747 -2.534 25636 5214 1 18 . 1 1 11 11 GLY H H 11 9.014 9.014 8.785 0.229 25636 5215 1 18 . 1 1 12 12 HIS N N 12 114.423 114.423 122.710 -8.287 25636 5216 1 18 . 1 1 12 12 HIS HA H 12 4.415 4.415 4.494 -0.079 25636 5217 1 18 . 1 1 12 12 HIS CA C 12 56.572 56.572 55.745 0.827 25636 5218 1 18 . 1 1 12 12 HIS CB C 12 32.017 32.017 32.605 -0.588 25636 5219 1 18 . 1 1 12 12 HIS H H 12 8.133 8.133 8.152 -0.019 25636 5220 1 18 . 1 1 13 13 LEU N N 13 123.763 123.763 124.757 -0.994 25636 5221 1 18 . 1 1 13 13 LEU HA H 13 4.777 4.777 4.302 0.475 25636 5222 1 18 . 1 1 13 13 LEU CA C 13 52.049 52.049 54.224 -2.175 25636 5223 1 18 . 1 1 13 13 LEU CB C 13 41.569 41.569 42.413 -0.844 25636 5224 1 18 . 1 1 13 13 LEU H H 13 8.385 8.385 8.581 -0.196 25636 5225 1 18 . 1 1 14 14 PRO HA H 14 3.707 3.707 4.316 -0.609 25636 5226 1 18 . 1 1 14 14 PRO CA C 14 65.579 65.579 64.168 1.411 25636 5227 1 18 . 1 1 14 14 PRO CB C 14 31.895 31.895 32.014 -0.119 25636 5228 1 18 . 1 1 15 15 ALA N N 15 115.114 115.114 120.939 -5.825 25636 5229 1 18 . 1 1 15 15 ALA HA H 15 4.149 4.149 4.288 -0.139 25636 5230 1 18 . 1 1 15 15 ALA CA C 15 54.628 54.628 54.203 0.424 25636 5231 1 18 . 1 1 15 15 ALA CB C 15 19.577 19.577 18.989 0.588 25636 5232 1 18 . 1 1 15 15 ALA H H 15 8.162 8.162 8.115 0.047 25636 5233 1 18 . 1 1 16 16 THR N N 16 102.057 102.057 112.019 -9.962 25636 5234 1 18 . 1 1 16 16 THR HA H 16 4.553 4.553 4.443 0.110 25636 5235 1 18 . 1 1 16 16 THR CA C 16 60.331 60.331 61.080 -0.749 25636 5236 1 18 . 1 1 16 16 THR CB C 16 70.574 70.574 69.830 0.744 25636 5237 1 18 . 1 1 16 16 THR H H 16 7.153 7.153 7.696 -0.543 25636 5238 1 18 . 1 1 17 17 ARG N N 17 122.509 122.509 123.517 -1.008 25636 5239 1 18 . 1 1 17 17 ARG HA H 17 4.716 4.716 4.191 0.525 25636 5240 1 18 . 1 1 17 17 ARG CA C 17 56.296 56.296 57.089 -0.793 25636 5241 1 18 . 1 1 17 17 ARG CB C 17 30.021 30.021 30.640 -0.619 25636 5242 1 18 . 1 1 17 17 ARG H H 17 7.901 7.901 7.643 0.258 25636 5243 1 18 . 1 1 18 18 VAL N N 18 122.027 122.027 120.524 1.503 25636 5244 1 18 . 1 1 18 18 VAL HA H 18 4.293 4.293 4.248 0.045 25636 5245 1 18 . 1 1 18 18 VAL CA C 18 61.462 61.462 61.737 -0.275 25636 5246 1 18 . 1 1 18 18 VAL CB C 18 35.247 35.247 34.428 0.819 25636 5247 1 18 . 1 1 18 18 VAL H H 18 8.568 8.568 8.583 -0.015 25636 5248 1 18 . 1 1 19 19 LEU N N 19 130.327 130.327 127.236 3.091 25636 5249 1 18 . 1 1 19 19 LEU HA H 19 3.718 3.718 4.424 -0.706 25636 5250 1 18 . 1 1 19 19 LEU CA C 19 57.467 57.467 55.400 2.067 25636 5251 1 18 . 1 1 19 19 LEU CB C 19 41.862 41.862 42.718 -0.856 25636 5252 1 18 . 1 1 19 19 LEU H H 19 8.670 8.670 8.496 0.174 25636 5253 1 18 . 1 1 20 20 LEU N N 20 126.389 126.389 128.386 -1.997 25636 5254 1 18 . 1 1 20 20 LEU HA H 20 4.588 4.588 4.314 0.274 25636 5255 1 18 . 1 1 20 20 LEU CA C 20 55.873 55.873 56.460 -0.587 25636 5256 1 18 . 1 1 20 20 LEU CB C 20 42.513 42.513 42.776 -0.263 25636 5257 1 18 . 1 1 20 20 LEU H H 20 9.236 9.236 8.280 0.956 25636 5258 1 18 . 1 1 21 21 MET N N 21 114.450 114.450 111.923 2.527 25636 5259 1 18 . 1 1 21 21 MET HA H 21 4.423 4.423 4.571 -0.148 25636 5260 1 18 . 1 1 21 21 MET CA C 21 56.214 56.214 54.857 1.357 25636 5261 1 18 . 1 1 21 21 MET CB C 21 36.964 36.964 36.391 0.573 25636 5262 1 18 . 1 1 21 21 MET H H 21 7.022 7.022 7.543 -0.521 25636 5263 1 18 . 1 1 22 22 TYR N N 22 123.123 123.123 119.837 3.286 25636 5264 1 18 . 1 1 22 22 TYR HA H 22 4.777 4.777 4.573 0.204 25636 5265 1 18 . 1 1 22 22 TYR CA C 22 57.988 57.988 58.452 -0.464 25636 5266 1 18 . 1 1 22 22 TYR CB C 22 39.356 39.356 39.310 0.046 25636 5267 1 18 . 1 1 22 22 TYR H H 22 8.515 8.515 8.564 -0.049 25636 5268 1 18 . 1 1 23 23 VAL N N 23 123.811 123.811 123.122 0.689 25636 5269 1 18 . 1 1 23 23 VAL HA H 23 4.371 4.371 4.420 -0.049 25636 5270 1 18 . 1 1 23 23 VAL CA C 23 61.503 61.503 61.341 0.162 25636 5271 1 18 . 1 1 23 23 VAL CB C 23 35.418 35.418 33.645 1.773 25636 5272 1 18 . 1 1 23 23 VAL H H 23 9.417 9.417 8.991 0.426 25636 5273 1 18 . 1 1 24 24 ARG N N 24 129.194 129.194 125.653 3.541 25636 5274 1 18 . 1 1 24 24 ARG HA H 24 3.885 3.885 4.361 -0.476 25636 5275 1 18 . 1 1 24 24 ARG CA C 24 56.784 56.784 54.871 1.913 25636 5276 1 18 . 1 1 24 24 ARG CB C 24 30.178 30.178 31.291 -1.113 25636 5277 1 18 . 1 1 24 24 ARG H H 24 8.892 8.892 8.752 0.140 25636 5278 1 18 . 1 1 25 25 ILE N N 25 128.158 128.158 123.458 4.700 25636 5279 1 18 . 1 1 25 25 ILE HA H 25 3.655 3.655 4.063 -0.408 25636 5280 1 18 . 1 1 25 25 ILE CA C 25 64.879 64.879 59.503 5.376 25636 5281 1 18 . 1 1 25 25 ILE CB C 25 37.154 37.154 34.691 2.463 25636 5282 1 18 . 1 1 25 25 ILE H H 25 8.312 8.312 8.275 0.037 25636 5283 1 18 . 1 1 26 26 GLY N N 26 115.464 115.464 110.060 5.404 25636 5284 1 18 . 1 1 26 26 GLY CA C 26 44.352 44.352 45.501 -1.149 25636 5285 1 18 . 1 1 26 26 GLY H H 26 9.389 9.389 7.996 1.393 25636 5286 1 18 . 1 1 27 27 THR N N 27 111.341 111.341 115.057 -3.716 25636 5287 1 18 . 1 1 27 27 THR HA H 27 4.926 4.926 4.652 0.274 25636 5288 1 18 . 1 1 27 27 THR CA C 27 60.299 60.299 61.207 -0.908 25636 5289 1 18 . 1 1 27 27 THR CB C 27 72.194 72.194 70.541 1.653 25636 5290 1 18 . 1 1 27 27 THR H H 27 7.877 7.877 7.604 0.273 25636 5291 1 18 . 1 1 28 28 THR N N 28 108.952 108.952 115.915 -6.963 25636 5292 1 18 . 1 1 28 28 THR HA H 28 5.353 5.353 4.535 0.818 25636 5293 1 18 . 1 1 28 28 THR CA C 28 59.143 59.143 61.495 -2.352 25636 5294 1 18 . 1 1 28 28 THR CB C 28 71.706 71.706 69.709 1.997 25636 5295 1 18 . 1 1 28 28 THR H H 28 7.732 7.732 8.210 -0.478 25636 5296 1 18 . 1 1 29 29 ALA N N 29 122.383 122.383 128.334 -5.951 25636 5297 1 18 . 1 1 29 29 ALA HA H 29 4.621 4.621 4.546 0.075 25636 5298 1 18 . 1 1 29 29 ALA CA C 29 51.796 51.796 51.203 0.593 25636 5299 1 18 . 1 1 29 29 ALA CB C 29 24.556 24.556 21.425 3.131 25636 5300 1 18 . 1 1 29 29 ALA H H 29 8.634 8.634 8.329 0.305 25636 5301 1 18 . 1 1 30 30 THR N N 30 115.881 115.881 114.838 1.043 25636 5302 1 18 . 1 1 30 30 THR HA H 30 4.885 4.885 4.848 0.037 25636 5303 1 18 . 1 1 30 30 THR CA C 30 62.300 62.300 61.625 0.675 25636 5304 1 18 . 1 1 30 30 THR CB C 30 69.265 69.265 70.382 -1.117 25636 5305 1 18 . 1 1 30 30 THR H H 30 8.317 8.317 8.105 0.212 25636 5306 1 18 . 1 1 31 31 ILE N N 31 126.005 126.005 126.752 -0.747 25636 5307 1 18 . 1 1 31 31 ILE HA H 31 4.388 4.388 4.434 -0.046 25636 5308 1 18 . 1 1 31 31 ILE CA C 31 59.562 59.562 60.669 -1.107 25636 5309 1 18 . 1 1 31 31 ILE CB C 31 40.634 40.634 40.156 0.478 25636 5310 1 18 . 1 1 31 31 ILE H H 31 9.166 9.166 8.985 0.181 25636 5311 1 18 . 1 1 32 32 THR N N 32 120.162 120.162 122.189 -2.027 25636 5312 1 18 . 1 1 32 32 THR HA H 32 5.300 5.300 5.260 0.040 25636 5313 1 18 . 1 1 32 32 THR CA C 32 60.885 60.885 60.829 0.056 25636 5314 1 18 . 1 1 32 32 THR CB C 32 69.867 69.867 69.537 0.329 25636 5315 1 18 . 1 1 32 32 THR H H 32 8.441 8.441 8.460 -0.019 25636 5316 1 18 . 1 1 33 33 ALA N N 33 127.525 127.525 127.656 -0.131 25636 5317 1 18 . 1 1 33 33 ALA HA H 33 4.644 4.644 4.736 -0.092 25636 5318 1 18 . 1 1 33 33 ALA CA C 33 51.975 51.975 51.720 0.255 25636 5319 1 18 . 1 1 33 33 ALA CB C 33 22.897 22.897 21.788 1.109 25636 5320 1 18 . 1 1 33 33 ALA H H 33 9.130 9.130 9.000 0.130 25636 5321 1 18 . 1 1 34 34 ARG N N 34 118.330 118.330 121.175 -2.845 25636 5322 1 18 . 1 1 34 34 ARG HA H 34 3.814 3.814 4.119 -0.305 25636 5323 1 18 . 1 1 34 34 ARG CA C 34 57.028 57.028 56.925 0.103 25636 5324 1 18 . 1 1 34 34 ARG CB C 34 27.337 27.337 28.160 -0.823 25636 5325 1 18 . 1 1 34 34 ARG H H 34 9.232 9.232 9.293 -0.061 25636 5326 1 18 . 1 1 35 35 GLY N N 35 104.002 104.002 104.518 -0.516 25636 5327 1 18 . 1 1 35 35 GLY CA C 35 45.368 45.368 45.242 0.126 25636 5328 1 18 . 1 1 35 35 GLY H H 35 8.642 8.642 8.485 0.157 25636 5329 1 18 . 1 1 36 36 HIS N N 36 119.875 119.875 118.590 1.285 25636 5330 1 18 . 1 1 36 36 HIS HA H 36 4.703 4.703 4.755 -0.052 25636 5331 1 18 . 1 1 36 36 HIS CA C 36 54.376 54.376 55.120 -0.744 25636 5332 1 18 . 1 1 36 36 HIS CB C 36 32.880 32.880 33.376 -0.496 25636 5333 1 18 . 1 1 36 36 HIS H H 36 8.188 8.188 7.938 0.250 25636 5334 1 18 . 1 1 37 37 GLU N N 37 119.578 119.578 120.638 -1.060 25636 5335 1 18 . 1 1 37 37 GLU HA H 37 5.018 5.018 4.859 0.159 25636 5336 1 18 . 1 1 37 37 GLU CA C 37 55.092 55.092 54.603 0.489 25636 5337 1 18 . 1 1 37 37 GLU CB C 37 31.863 31.863 31.281 0.582 25636 5338 1 18 . 1 1 37 37 GLU H H 37 7.991 7.991 8.441 -0.450 25636 5339 1 18 . 1 1 38 38 PHE N N 38 121.593 121.593 122.860 -1.267 25636 5340 1 18 . 1 1 38 38 PHE HA H 38 4.755 4.755 4.751 0.004 25636 5341 1 18 . 1 1 38 38 PHE CA C 38 56.442 56.442 56.563 -0.121 25636 5342 1 18 . 1 1 38 38 PHE CB C 38 41.569 41.569 41.249 0.320 25636 5343 1 18 . 1 1 38 38 PHE H H 38 9.149 9.149 9.098 0.051 25636 5344 1 18 . 1 1 39 39 GLU N N 39 125.332 125.332 126.585 -1.253 25636 5345 1 18 . 1 1 39 39 GLU HA H 39 5.186 5.186 4.707 0.479 25636 5346 1 18 . 1 1 39 39 GLU CA C 39 55.531 55.531 54.899 0.632 25636 5347 1 18 . 1 1 39 39 GLU CB C 39 30.309 30.309 30.783 -0.474 25636 5348 1 18 . 1 1 39 39 GLU H H 39 8.539 8.539 8.972 -0.433 25636 5349 1 18 . 1 1 40 40 VAL N N 40 120.623 120.623 121.811 -1.188 25636 5350 1 18 . 1 1 40 40 VAL HA H 40 5.396 5.396 4.901 0.495 25636 5351 1 18 . 1 1 40 40 VAL CA C 40 58.517 58.517 58.756 -0.239 25636 5352 1 18 . 1 1 40 40 VAL CB C 40 34.287 34.287 33.762 0.525 25636 5353 1 18 . 1 1 40 40 VAL H H 40 8.773 8.773 7.781 0.992 25636 5354 1 18 . 1 1 41 41 GLU N N 41 118.742 118.742 120.987 -2.245 25636 5355 1 18 . 1 1 41 41 GLU HA H 41 4.553 4.553 4.456 0.097 25636 5356 1 18 . 1 1 41 41 GLU CA C 41 54.359 54.359 55.247 -0.888 25636 5357 1 18 . 1 1 41 41 GLU CB C 41 32.408 32.408 31.226 1.183 25636 5358 1 18 . 1 1 41 41 GLU H H 41 7.973 7.973 8.513 -0.540 25636 5359 1 18 . 1 1 42 42 ALA N N 42 132.540 132.540 127.941 4.599 25636 5360 1 18 . 1 1 42 42 ALA HA H 42 4.662 4.662 4.523 0.139 25636 5361 1 18 . 1 1 42 42 ALA CA C 42 50.446 50.446 51.450 -1.004 25636 5362 1 18 . 1 1 42 42 ALA CB C 42 18.015 18.015 19.689 -1.673 25636 5363 1 18 . 1 1 42 42 ALA H H 42 8.181 8.181 8.579 -0.398 25636 5364 1 18 . 1 1 43 43 LYS N N 43 125.936 125.936 122.127 3.809 25636 5365 1 18 . 1 1 43 43 LYS HA H 43 3.955 3.955 4.561 -0.606 25636 5366 1 18 . 1 1 43 43 LYS CA C 43 59.648 59.648 55.845 3.803 25636 5367 1 18 . 1 1 43 43 LYS CB C 43 34.670 34.670 33.970 0.700 25636 5368 1 18 . 1 1 43 43 LYS H H 43 9.029 9.029 8.804 0.225 25636 5369 1 18 . 1 1 44 44 ASP N N 44 110.443 110.443 115.706 -5.263 25636 5370 1 18 . 1 1 44 44 ASP HA H 44 4.338 4.338 4.738 -0.400 25636 5371 1 18 . 1 1 44 44 ASP CA C 44 53.074 53.074 53.956 -0.882 25636 5372 1 18 . 1 1 44 44 ASP CB C 44 41.337 41.337 42.737 -1.400 25636 5373 1 18 . 1 1 44 44 ASP H H 44 7.463 7.463 7.858 -0.395 25636 5374 1 18 . 1 1 45 45 GLN N N 45 112.575 112.575 117.831 -5.256 25636 5375 1 18 . 1 1 45 45 GLN HA H 45 4.064 4.064 3.954 0.110 25636 5376 1 18 . 1 1 45 45 GLN CA C 45 57.663 57.663 57.545 0.118 25636 5377 1 18 . 1 1 45 45 GLN CB C 45 28.047 28.047 29.005 -0.958 25636 5378 1 18 . 1 1 45 45 GLN H H 45 8.370 8.370 8.282 0.088 25636 5379 1 18 . 1 1 46 46 ASN N N 46 117.659 117.659 118.327 -0.668 25636 5380 1 18 . 1 1 46 46 ASN HA H 46 4.536 4.536 4.740 -0.204 25636 5381 1 18 . 1 1 46 46 ASN CA C 46 55.271 55.271 52.969 2.302 25636 5382 1 18 . 1 1 46 46 ASN CB C 46 38.046 38.046 37.630 0.416 25636 5383 1 18 . 1 1 46 46 ASN H H 46 8.704 8.704 8.322 0.382 25636 5384 1 18 . 1 1 47 47 CYS N N 47 112.520 112.520 122.311 -9.791 25636 5385 1 18 . 1 1 47 47 CYS HA H 47 4.397 4.397 4.633 -0.236 25636 5386 1 18 . 1 1 47 47 CYS CA C 47 55.075 55.075 58.475 -3.400 25636 5387 1 18 . 1 1 47 47 CYS CB C 47 36.199 36.199 28.931 7.268 25636 5388 1 18 . 1 1 47 47 CYS H H 47 8.486 8.486 8.031 0.455 25636 5389 1 18 . 1 1 48 48 LYS N N 48 116.117 116.117 124.115 -7.998 25636 5390 1 18 . 1 1 48 48 LYS HA H 48 4.130 4.130 4.564 -0.434 25636 5391 1 18 . 1 1 48 48 LYS CA C 48 56.865 56.865 55.014 1.851 25636 5392 1 18 . 1 1 48 48 LYS CB C 48 32.180 32.180 34.437 -2.257 25636 5393 1 18 . 1 1 48 48 LYS H H 48 7.970 7.970 8.388 -0.418 25636 5394 1 18 . 1 1 49 49 VAL N N 49 126.872 126.872 120.744 6.128 25636 5395 1 18 . 1 1 49 49 VAL HA H 49 3.632 3.632 4.036 -0.404 25636 5396 1 18 . 1 1 49 49 VAL CA C 49 64.782 64.782 63.294 1.488 25636 5397 1 18 . 1 1 49 49 VAL CB C 49 30.317 30.317 31.491 -1.174 25636 5398 1 18 . 1 1 49 49 VAL H H 49 8.951 8.951 8.539 0.412 25636 5399 1 18 . 1 1 50 50 ILE N N 50 132.487 132.487 126.287 6.200 25636 5400 1 18 . 1 1 50 50 ILE HA H 50 4.135 4.135 4.377 -0.242 25636 5401 1 18 . 1 1 50 50 ILE CA C 50 60.535 60.535 60.277 0.258 25636 5402 1 18 . 1 1 50 50 ILE CB C 50 41.659 41.659 41.954 -0.295 25636 5403 1 18 . 1 1 50 50 ILE H H 50 8.666 8.666 7.603 1.063 25636 5404 1 18 . 1 1 51 51 LEU N N 51 125.179 125.179 123.754 1.425 25636 5405 1 18 . 1 1 51 51 LEU HA H 51 5.250 5.250 5.361 -0.111 25636 5406 1 18 . 1 1 51 51 LEU CA C 51 53.245 53.245 53.460 -0.215 25636 5407 1 18 . 1 1 51 51 LEU CB C 51 41.146 41.146 44.239 -3.093 25636 5408 1 18 . 1 1 51 51 LEU H H 51 8.789 8.789 8.173 0.616 25636 5409 1 18 . 1 1 52 52 THR N N 52 115.511 115.511 116.186 -0.675 25636 5410 1 18 . 1 1 52 52 THR HA H 52 4.079 4.079 4.269 -0.190 25636 5411 1 18 . 1 1 52 52 THR CA C 52 63.822 63.822 63.288 0.534 25636 5412 1 18 . 1 1 52 52 THR CB C 52 68.335 68.335 68.937 -0.602 25636 5413 1 18 . 1 1 52 52 THR H H 52 8.528 8.528 8.407 0.121 25636 5414 1 18 . 1 1 53 53 ASN N N 53 116.941 116.941 120.106 -3.165 25636 5415 1 18 . 1 1 53 53 ASN HA H 53 4.514 4.514 4.751 -0.237 25636 5416 1 18 . 1 1 53 53 ASN CA C 53 52.740 52.740 52.002 0.738 25636 5417 1 18 . 1 1 53 53 ASN CB C 53 37.314 37.314 37.960 -0.646 25636 5418 1 18 . 1 1 53 53 ASN H H 53 8.149 8.149 8.100 0.049 25636 5419 1 18 . 1 1 54 54 GLY N N 54 106.580 106.580 106.508 0.072 25636 5420 1 18 . 1 1 54 54 GLY CA C 54 45.735 45.735 45.958 -0.223 25636 5421 1 18 . 1 1 54 54 GLY H H 54 7.949 7.949 8.423 -0.474 25636 5422 1 18 . 1 1 55 55 LYS N N 55 120.679 120.679 118.294 2.385 25636 5423 1 18 . 1 1 55 55 LYS HA H 55 4.251 4.251 4.594 -0.343 25636 5424 1 18 . 1 1 55 55 LYS CA C 55 55.848 55.848 54.824 1.024 25636 5425 1 18 . 1 1 55 55 LYS CB C 55 32.595 32.595 35.693 -3.098 25636 5426 1 18 . 1 1 55 55 LYS H H 55 7.806 7.806 7.848 -0.042 25636 5427 1 18 . 1 1 56 56 GLN N N 56 119.471 119.471 119.092 0.379 25636 5428 1 18 . 1 1 56 56 GLN HA H 56 4.114 4.114 4.646 -0.532 25636 5429 1 18 . 1 1 56 56 GLN CA C 56 55.865 55.865 53.859 2.006 25636 5430 1 18 . 1 1 56 56 GLN CB C 56 29.228 29.228 31.134 -1.906 25636 5431 1 18 . 1 1 56 56 GLN H H 56 8.241 8.241 8.373 -0.132 25636 5432 1 18 . 1 1 57 57 ALA N N 57 129.241 129.241 125.235 4.006 25636 5433 1 18 . 1 1 57 57 ALA HA H 57 4.136 4.136 4.023 0.113 25636 5434 1 18 . 1 1 57 57 ALA CA C 57 50.210 50.210 51.136 -0.926 25636 5435 1 18 . 1 1 57 57 ALA CB C 57 18.056 18.056 17.383 0.673 25636 5436 1 18 . 1 1 57 57 ALA H H 57 8.667 8.667 8.483 0.184 25636 5437 1 18 . 1 1 58 58 PRO HA H 58 4.181 4.181 4.281 -0.100 25636 5438 1 18 . 1 1 58 58 PRO CA C 58 62.162 62.162 61.715 0.447 25636 5439 1 18 . 1 1 58 58 PRO CB C 58 31.226 31.226 31.811 -0.585 25636 5440 1 18 . 1 1 59 59 ASP N N 59 120.839 120.839 117.248 3.591 25636 5441 1 18 . 1 1 59 59 ASP HA H 59 4.151 4.151 4.513 -0.362 25636 5442 1 18 . 1 1 59 59 ASP CA C 59 56.483 56.483 55.252 1.231 25636 5443 1 18 . 1 1 59 59 ASP CB C 59 40.568 40.568 40.946 -0.378 25636 5444 1 18 . 1 1 59 59 ASP H H 59 8.576 8.576 8.530 0.046 25636 5445 1 18 . 1 1 60 60 TRP N N 60 114.095 114.095 117.272 -3.177 25636 5446 1 18 . 1 1 60 60 TRP HA H 60 4.460 4.460 4.824 -0.364 25636 5447 1 18 . 1 1 60 60 TRP CA C 60 54.579 54.579 55.046 -0.467 25636 5448 1 18 . 1 1 60 60 TRP CB C 60 29.366 29.366 28.657 0.709 25636 5449 1 18 . 1 1 60 60 TRP H H 60 6.701 6.701 7.184 -0.483 25636 5450 1 18 . 1 1 61 61 LEU N N 61 123.142 123.142 121.394 1.748 25636 5451 1 18 . 1 1 61 61 LEU HA H 61 4.743 4.743 4.294 0.449 25636 5452 1 18 . 1 1 61 61 LEU CA C 61 54.839 54.839 53.112 1.727 25636 5453 1 18 . 1 1 61 61 LEU CB C 61 42.083 42.083 43.316 -1.233 25636 5454 1 18 . 1 1 61 61 LEU H H 61 6.541 6.541 6.952 -0.411 25636 5455 1 18 . 1 1 62 62 ALA N N 62 131.106 131.106 125.959 5.147 25636 5456 1 18 . 1 1 62 62 ALA HA H 62 4.644 4.644 4.528 0.116 25636 5457 1 18 . 1 1 62 62 ALA CA C 62 50.478 50.478 51.107 -0.629 25636 5458 1 18 . 1 1 62 62 ALA CB C 62 23.434 23.434 21.635 1.799 25636 5459 1 18 . 1 1 62 62 ALA H H 62 8.993 8.993 7.606 1.387 25636 5460 1 18 . 1 1 63 63 ALA N N 63 118.796 118.796 121.662 -2.866 25636 5461 1 18 . 1 1 63 63 ALA HA H 63 5.633 5.633 4.910 0.723 25636 5462 1 18 . 1 1 63 63 ALA CA C 63 51.143 51.143 51.998 -0.855 25636 5463 1 18 . 1 1 63 63 ALA CB C 63 22.490 22.490 20.697 1.793 25636 5464 1 18 . 1 1 63 63 ALA H H 63 8.139 8.139 8.344 -0.205 25636 5465 1 18 . 1 1 64 64 GLU N N 64 116.715 116.715 123.529 -6.814 25636 5466 1 18 . 1 1 64 64 GLU HA H 64 4.902 4.902 4.947 -0.045 25636 5467 1 18 . 1 1 64 64 GLU CA C 64 53.009 53.009 52.936 0.073 25636 5468 1 18 . 1 1 64 64 GLU CB C 64 32.619 32.619 32.153 0.466 25636 5469 1 18 . 1 1 64 64 GLU H H 64 8.563 8.563 8.205 0.358 25636 5470 1 18 . 1 1 65 65 PRO HA H 65 5.486 5.486 4.605 0.881 25636 5471 1 18 . 1 1 65 65 PRO CA C 65 62.878 62.878 62.716 0.162 25636 5472 1 18 . 1 1 65 65 PRO CB C 65 32.606 32.606 32.774 -0.168 25636 5473 1 19 . 1 1 2 2 PRO HA H 2 4.386 4.386 4.509 -0.123 25636 5474 1 19 . 1 1 2 2 PRO CA C 2 62.756 62.756 62.735 0.021 25636 5475 1 19 . 1 1 2 2 PRO CB C 2 32.034 32.034 31.897 0.137 25636 5476 1 19 . 1 1 3 3 ALA N N 3 124.343 124.343 126.065 -1.722 25636 5477 1 19 . 1 1 3 3 ALA HA H 3 4.306 4.306 4.659 -0.353 25636 5478 1 19 . 1 1 3 3 ALA CA C 3 52.756 52.756 51.478 1.278 25636 5479 1 19 . 1 1 3 3 ALA CB C 3 19.935 19.935 21.056 -1.121 25636 5480 1 19 . 1 1 3 3 ALA H H 3 8.192 8.192 8.225 -0.033 25636 5481 1 19 . 1 1 4 4 ARG N N 4 119.928 119.928 120.306 -0.378 25636 5482 1 19 . 1 1 4 4 ARG HA H 4 4.323 4.323 4.634 -0.311 25636 5483 1 19 . 1 1 4 4 ARG CA C 4 56.231 56.231 55.568 0.663 25636 5484 1 19 . 1 1 4 4 ARG CB C 4 33.629 33.629 32.557 1.072 25636 5485 1 19 . 1 1 4 4 ARG H H 4 9.195 9.195 8.380 0.815 25636 5486 1 19 . 1 1 5 5 PHE N N 5 119.084 119.084 120.208 -1.124 25636 5487 1 19 . 1 1 5 5 PHE HA H 5 5.321 5.321 4.745 0.576 25636 5488 1 19 . 1 1 5 5 PHE CA C 5 56.914 56.914 57.220 -0.306 25636 5489 1 19 . 1 1 5 5 PHE CB C 5 43.554 43.554 43.514 0.041 25636 5490 1 19 . 1 1 5 5 PHE H H 5 9.242 9.242 8.508 0.734 25636 5491 1 19 . 1 1 6 6 CYS N N 6 116.173 116.173 119.285 -3.112 25636 5492 1 19 . 1 1 6 6 CYS HA H 6 5.281 5.281 4.779 0.502 25636 5493 1 19 . 1 1 6 6 CYS CA C 6 54.262 54.262 58.300 -4.038 25636 5494 1 19 . 1 1 6 6 CYS CB C 6 39.730 39.730 29.388 10.342 25636 5495 1 19 . 1 1 6 6 CYS H H 6 9.204 9.204 8.495 0.709 25636 5496 1 19 . 1 1 7 7 VAL N N 7 126.228 126.228 120.673 5.555 25636 5497 1 19 . 1 1 7 7 VAL HA H 7 4.314 4.314 4.228 0.086 25636 5498 1 19 . 1 1 7 7 VAL CA C 7 60.665 60.665 60.679 -0.014 25636 5499 1 19 . 1 1 7 7 VAL CB C 7 32.359 32.359 34.689 -2.330 25636 5500 1 19 . 1 1 7 7 VAL H H 7 9.474 9.474 8.867 0.607 25636 5501 1 19 . 1 1 8 8 TYR N N 8 123.478 123.478 124.029 -0.551 25636 5502 1 19 . 1 1 8 8 TYR HA H 8 5.120 5.120 4.770 0.350 25636 5503 1 19 . 1 1 8 8 TYR CA C 8 57.174 57.174 56.462 0.712 25636 5504 1 19 . 1 1 8 8 TYR CB C 8 40.918 40.918 42.426 -1.508 25636 5505 1 19 . 1 1 8 8 TYR H H 8 8.195 8.195 7.913 0.282 25636 5506 1 19 . 1 1 9 9 TYR N N 9 119.745 119.745 121.562 -1.817 25636 5507 1 19 . 1 1 9 9 TYR HA H 9 5.209 5.209 4.800 0.409 25636 5508 1 19 . 1 1 9 9 TYR CA C 9 56.930 56.930 56.953 -0.022 25636 5509 1 19 . 1 1 9 9 TYR CB C 9 44.026 44.026 42.435 1.591 25636 5510 1 19 . 1 1 9 9 TYR H H 9 9.410 9.410 7.756 1.654 25636 5511 1 19 . 1 1 10 10 ASP N N 10 118.515 118.515 118.836 -0.321 25636 5512 1 19 . 1 1 10 10 ASP HA H 10 5.203 5.203 5.081 0.122 25636 5513 1 19 . 1 1 10 10 ASP CA C 10 52.879 52.879 52.868 0.011 25636 5514 1 19 . 1 1 10 10 ASP CB C 10 41.522 41.522 44.964 -3.442 25636 5515 1 19 . 1 1 10 10 ASP H H 10 8.948 8.948 8.519 0.429 25636 5516 1 19 . 1 1 11 11 GLY N N 11 114.853 114.853 108.691 6.162 25636 5517 1 19 . 1 1 11 11 GLY CA C 11 44.213 44.213 46.659 -2.446 25636 5518 1 19 . 1 1 11 11 GLY H H 11 9.014 9.014 8.693 0.321 25636 5519 1 19 . 1 1 12 12 HIS N N 12 114.423 114.423 121.808 -7.385 25636 5520 1 19 . 1 1 12 12 HIS HA H 12 4.415 4.415 4.446 -0.031 25636 5521 1 19 . 1 1 12 12 HIS CA C 12 56.572 56.572 55.037 1.535 25636 5522 1 19 . 1 1 12 12 HIS CB C 12 32.017 32.017 32.630 -0.613 25636 5523 1 19 . 1 1 12 12 HIS H H 12 8.133 8.133 8.044 0.089 25636 5524 1 19 . 1 1 13 13 LEU N N 13 123.763 123.763 124.988 -1.225 25636 5525 1 19 . 1 1 13 13 LEU HA H 13 4.777 4.777 4.255 0.522 25636 5526 1 19 . 1 1 13 13 LEU CA C 13 52.049 52.049 54.070 -2.021 25636 5527 1 19 . 1 1 13 13 LEU CB C 13 41.569 41.569 42.520 -0.951 25636 5528 1 19 . 1 1 13 13 LEU H H 13 8.385 8.385 8.618 -0.233 25636 5529 1 19 . 1 1 14 14 PRO HA H 14 3.707 3.707 4.316 -0.609 25636 5530 1 19 . 1 1 14 14 PRO CA C 14 65.579 65.579 64.221 1.358 25636 5531 1 19 . 1 1 14 14 PRO CB C 14 31.895 31.895 32.019 -0.124 25636 5532 1 19 . 1 1 15 15 ALA N N 15 115.114 115.114 121.495 -6.381 25636 5533 1 19 . 1 1 15 15 ALA HA H 15 4.149 4.149 4.264 -0.115 25636 5534 1 19 . 1 1 15 15 ALA CA C 15 54.628 54.628 54.130 0.498 25636 5535 1 19 . 1 1 15 15 ALA CB C 15 19.577 19.577 18.966 0.611 25636 5536 1 19 . 1 1 15 15 ALA H H 15 8.162 8.162 8.128 0.034 25636 5537 1 19 . 1 1 16 16 THR N N 16 102.057 102.057 111.682 -9.625 25636 5538 1 19 . 1 1 16 16 THR HA H 16 4.553 4.553 4.379 0.174 25636 5539 1 19 . 1 1 16 16 THR CA C 16 60.331 60.331 60.680 -0.349 25636 5540 1 19 . 1 1 16 16 THR CB C 16 70.574 70.574 69.763 0.811 25636 5541 1 19 . 1 1 16 16 THR H H 16 7.153 7.153 7.629 -0.476 25636 5542 1 19 . 1 1 17 17 ARG N N 17 122.509 122.509 123.062 -0.553 25636 5543 1 19 . 1 1 17 17 ARG HA H 17 4.716 4.716 4.220 0.496 25636 5544 1 19 . 1 1 17 17 ARG CA C 17 56.296 56.296 57.054 -0.758 25636 5545 1 19 . 1 1 17 17 ARG CB C 17 30.021 30.021 30.696 -0.675 25636 5546 1 19 . 1 1 17 17 ARG H H 17 7.901 7.901 7.630 0.271 25636 5547 1 19 . 1 1 18 18 VAL N N 18 122.027 122.027 121.050 0.977 25636 5548 1 19 . 1 1 18 18 VAL HA H 18 4.293 4.293 4.282 0.011 25636 5549 1 19 . 1 1 18 18 VAL CA C 18 61.462 61.462 61.427 0.035 25636 5550 1 19 . 1 1 18 18 VAL CB C 18 35.247 35.247 34.340 0.907 25636 5551 1 19 . 1 1 18 18 VAL H H 18 8.568 8.568 8.640 -0.072 25636 5552 1 19 . 1 1 19 19 LEU N N 19 130.327 130.327 127.853 2.474 25636 5553 1 19 . 1 1 19 19 LEU HA H 19 3.718 3.718 4.259 -0.541 25636 5554 1 19 . 1 1 19 19 LEU CA C 19 57.467 57.467 55.643 1.824 25636 5555 1 19 . 1 1 19 19 LEU CB C 19 41.862 41.862 42.803 -0.941 25636 5556 1 19 . 1 1 19 19 LEU H H 19 8.670 8.670 8.559 0.111 25636 5557 1 19 . 1 1 20 20 LEU N N 20 126.389 126.389 127.805 -1.416 25636 5558 1 19 . 1 1 20 20 LEU HA H 20 4.588 4.588 4.380 0.208 25636 5559 1 19 . 1 1 20 20 LEU CA C 20 55.873 55.873 56.546 -0.673 25636 5560 1 19 . 1 1 20 20 LEU CB C 20 42.513 42.513 42.810 -0.297 25636 5561 1 19 . 1 1 20 20 LEU H H 20 9.236 9.236 8.460 0.776 25636 5562 1 19 . 1 1 21 21 MET N N 21 114.450 114.450 112.684 1.766 25636 5563 1 19 . 1 1 21 21 MET HA H 21 4.423 4.423 4.611 -0.188 25636 5564 1 19 . 1 1 21 21 MET CA C 21 56.214 56.214 54.869 1.345 25636 5565 1 19 . 1 1 21 21 MET CB C 21 36.964 36.964 36.592 0.372 25636 5566 1 19 . 1 1 21 21 MET H H 21 7.022 7.022 7.653 -0.631 25636 5567 1 19 . 1 1 22 22 TYR N N 22 123.123 123.123 120.808 2.315 25636 5568 1 19 . 1 1 22 22 TYR HA H 22 4.777 4.777 4.600 0.177 25636 5569 1 19 . 1 1 22 22 TYR CA C 22 57.988 57.988 57.212 0.776 25636 5570 1 19 . 1 1 22 22 TYR CB C 22 39.356 39.356 39.382 -0.026 25636 5571 1 19 . 1 1 22 22 TYR H H 22 8.515 8.515 8.585 -0.070 25636 5572 1 19 . 1 1 23 23 VAL N N 23 123.811 123.811 124.506 -0.695 25636 5573 1 19 . 1 1 23 23 VAL HA H 23 4.371 4.371 4.392 -0.021 25636 5574 1 19 . 1 1 23 23 VAL CA C 23 61.503 61.503 60.748 0.755 25636 5575 1 19 . 1 1 23 23 VAL CB C 23 35.418 35.418 32.369 3.049 25636 5576 1 19 . 1 1 23 23 VAL H H 23 9.417 9.417 8.737 0.680 25636 5577 1 19 . 1 1 24 24 ARG N N 24 129.194 129.194 127.497 1.697 25636 5578 1 19 . 1 1 24 24 ARG HA H 24 3.885 3.885 4.523 -0.638 25636 5579 1 19 . 1 1 24 24 ARG CA C 24 56.784 56.784 56.335 0.449 25636 5580 1 19 . 1 1 24 24 ARG CB C 24 30.178 30.178 30.549 -0.371 25636 5581 1 19 . 1 1 24 24 ARG H H 24 8.892 8.892 8.815 0.077 25636 5582 1 19 . 1 1 25 25 ILE N N 25 128.158 128.158 124.006 4.152 25636 5583 1 19 . 1 1 25 25 ILE HA H 25 3.655 3.655 4.009 -0.354 25636 5584 1 19 . 1 1 25 25 ILE CA C 25 64.879 64.879 61.108 3.771 25636 5585 1 19 . 1 1 25 25 ILE CB C 25 37.154 37.154 35.301 1.853 25636 5586 1 19 . 1 1 25 25 ILE H H 25 8.312 8.312 8.269 0.043 25636 5587 1 19 . 1 1 26 26 GLY N N 26 115.464 115.464 110.131 5.333 25636 5588 1 19 . 1 1 26 26 GLY CA C 26 44.352 44.352 45.401 -1.049 25636 5589 1 19 . 1 1 26 26 GLY H H 26 9.389 9.389 8.143 1.246 25636 5590 1 19 . 1 1 27 27 THR N N 27 111.341 111.341 115.157 -3.816 25636 5591 1 19 . 1 1 27 27 THR HA H 27 4.926 4.926 4.637 0.289 25636 5592 1 19 . 1 1 27 27 THR CA C 27 60.299 60.299 61.054 -0.755 25636 5593 1 19 . 1 1 27 27 THR CB C 27 72.194 72.194 70.396 1.798 25636 5594 1 19 . 1 1 27 27 THR H H 27 7.877 7.877 7.647 0.230 25636 5595 1 19 . 1 1 28 28 THR N N 28 108.952 108.952 115.932 -6.980 25636 5596 1 19 . 1 1 28 28 THR HA H 28 5.353 5.353 4.533 0.820 25636 5597 1 19 . 1 1 28 28 THR CA C 28 59.143 59.143 61.311 -2.168 25636 5598 1 19 . 1 1 28 28 THR CB C 28 71.706 71.706 69.172 2.534 25636 5599 1 19 . 1 1 28 28 THR H H 28 7.732 7.732 8.226 -0.494 25636 5600 1 19 . 1 1 29 29 ALA N N 29 122.383 122.383 129.355 -6.972 25636 5601 1 19 . 1 1 29 29 ALA HA H 29 4.621 4.621 4.704 -0.083 25636 5602 1 19 . 1 1 29 29 ALA CA C 29 51.796 51.796 51.346 0.451 25636 5603 1 19 . 1 1 29 29 ALA CB C 29 24.556 24.556 21.164 3.392 25636 5604 1 19 . 1 1 29 29 ALA H H 29 8.634 8.634 8.405 0.229 25636 5605 1 19 . 1 1 30 30 THR N N 30 115.881 115.881 113.976 1.905 25636 5606 1 19 . 1 1 30 30 THR HA H 30 4.885 4.885 4.778 0.107 25636 5607 1 19 . 1 1 30 30 THR CA C 30 62.300 62.300 61.094 1.206 25636 5608 1 19 . 1 1 30 30 THR CB C 30 69.265 69.265 70.425 -1.160 25636 5609 1 19 . 1 1 30 30 THR H H 30 8.317 8.317 8.140 0.177 25636 5610 1 19 . 1 1 31 31 ILE N N 31 126.005 126.005 123.133 2.872 25636 5611 1 19 . 1 1 31 31 ILE HA H 31 4.388 4.388 4.409 -0.021 25636 5612 1 19 . 1 1 31 31 ILE CA C 31 59.562 59.562 60.288 -0.726 25636 5613 1 19 . 1 1 31 31 ILE CB C 31 40.634 40.634 40.787 -0.153 25636 5614 1 19 . 1 1 31 31 ILE H H 31 9.166 9.166 8.912 0.254 25636 5615 1 19 . 1 1 32 32 THR N N 32 120.162 120.162 122.100 -1.938 25636 5616 1 19 . 1 1 32 32 THR HA H 32 5.300 5.300 5.079 0.221 25636 5617 1 19 . 1 1 32 32 THR CA C 32 60.885 60.885 60.977 -0.092 25636 5618 1 19 . 1 1 32 32 THR CB C 32 69.867 69.867 69.062 0.805 25636 5619 1 19 . 1 1 32 32 THR H H 32 8.441 8.441 8.576 -0.135 25636 5620 1 19 . 1 1 33 33 ALA N N 33 127.525 127.525 127.463 0.062 25636 5621 1 19 . 1 1 33 33 ALA HA H 33 4.644 4.644 4.691 -0.047 25636 5622 1 19 . 1 1 33 33 ALA CA C 33 51.975 51.975 52.005 -0.030 25636 5623 1 19 . 1 1 33 33 ALA CB C 33 22.897 22.897 21.932 0.965 25636 5624 1 19 . 1 1 33 33 ALA H H 33 9.130 9.130 8.893 0.237 25636 5625 1 19 . 1 1 34 34 ARG N N 34 118.330 118.330 121.865 -3.535 25636 5626 1 19 . 1 1 34 34 ARG HA H 34 3.814 3.814 4.109 -0.295 25636 5627 1 19 . 1 1 34 34 ARG CA C 34 57.028 57.028 56.868 0.160 25636 5628 1 19 . 1 1 34 34 ARG CB C 34 27.337 27.337 28.106 -0.769 25636 5629 1 19 . 1 1 34 34 ARG H H 34 9.232 9.232 9.325 -0.093 25636 5630 1 19 . 1 1 35 35 GLY N N 35 104.002 104.002 104.667 -0.665 25636 5631 1 19 . 1 1 35 35 GLY CA C 35 45.368 45.368 45.300 0.068 25636 5632 1 19 . 1 1 35 35 GLY H H 35 8.642 8.642 8.492 0.149 25636 5633 1 19 . 1 1 36 36 HIS N N 36 119.875 119.875 119.549 0.326 25636 5634 1 19 . 1 1 36 36 HIS HA H 36 4.703 4.703 4.775 -0.072 25636 5635 1 19 . 1 1 36 36 HIS CA C 36 54.376 54.376 55.077 -0.701 25636 5636 1 19 . 1 1 36 36 HIS CB C 36 32.880 32.880 33.078 -0.198 25636 5637 1 19 . 1 1 36 36 HIS H H 36 8.188 8.188 7.977 0.211 25636 5638 1 19 . 1 1 37 37 GLU N N 37 119.578 119.578 122.936 -3.358 25636 5639 1 19 . 1 1 37 37 GLU HA H 37 5.018 5.018 5.031 -0.013 25636 5640 1 19 . 1 1 37 37 GLU CA C 37 55.092 55.092 54.617 0.475 25636 5641 1 19 . 1 1 37 37 GLU CB C 37 31.863 31.863 30.813 1.050 25636 5642 1 19 . 1 1 37 37 GLU H H 37 7.991 7.991 8.481 -0.490 25636 5643 1 19 . 1 1 38 38 PHE N N 38 121.593 121.593 123.769 -2.176 25636 5644 1 19 . 1 1 38 38 PHE HA H 38 4.755 4.755 4.774 -0.019 25636 5645 1 19 . 1 1 38 38 PHE CA C 38 56.442 56.442 56.000 0.442 25636 5646 1 19 . 1 1 38 38 PHE CB C 38 41.569 41.569 40.983 0.586 25636 5647 1 19 . 1 1 38 38 PHE H H 38 9.149 9.149 9.116 0.033 25636 5648 1 19 . 1 1 39 39 GLU N N 39 125.332 125.332 126.501 -1.169 25636 5649 1 19 . 1 1 39 39 GLU HA H 39 5.186 5.186 4.774 0.412 25636 5650 1 19 . 1 1 39 39 GLU CA C 39 55.531 55.531 54.945 0.586 25636 5651 1 19 . 1 1 39 39 GLU CB C 39 30.309 30.309 30.503 -0.194 25636 5652 1 19 . 1 1 39 39 GLU H H 39 8.539 8.539 9.077 -0.538 25636 5653 1 19 . 1 1 40 40 VAL N N 40 120.623 120.623 120.942 -0.319 25636 5654 1 19 . 1 1 40 40 VAL HA H 40 5.396 5.396 4.995 0.401 25636 5655 1 19 . 1 1 40 40 VAL CA C 40 58.517 58.517 59.515 -0.998 25636 5656 1 19 . 1 1 40 40 VAL CB C 40 34.287 34.287 33.952 0.335 25636 5657 1 19 . 1 1 40 40 VAL H H 40 8.773 8.773 7.705 1.068 25636 5658 1 19 . 1 1 41 41 GLU N N 41 118.742 118.742 121.637 -2.895 25636 5659 1 19 . 1 1 41 41 GLU HA H 41 4.553 4.553 4.590 -0.037 25636 5660 1 19 . 1 1 41 41 GLU CA C 41 54.359 54.359 55.145 -0.786 25636 5661 1 19 . 1 1 41 41 GLU CB C 41 32.408 32.408 31.986 0.422 25636 5662 1 19 . 1 1 41 41 GLU H H 41 7.973 7.973 8.533 -0.560 25636 5663 1 19 . 1 1 42 42 ALA N N 42 132.540 132.540 128.252 4.288 25636 5664 1 19 . 1 1 42 42 ALA HA H 42 4.662 4.662 4.598 0.064 25636 5665 1 19 . 1 1 42 42 ALA CA C 42 50.446 50.446 51.362 -0.916 25636 5666 1 19 . 1 1 42 42 ALA CB C 42 18.015 18.015 20.091 -2.076 25636 5667 1 19 . 1 1 42 42 ALA H H 42 8.181 8.181 8.541 -0.360 25636 5668 1 19 . 1 1 43 43 LYS N N 43 125.936 125.936 122.729 3.207 25636 5669 1 19 . 1 1 43 43 LYS HA H 43 3.955 3.955 4.488 -0.533 25636 5670 1 19 . 1 1 43 43 LYS CA C 43 59.648 59.648 56.480 3.168 25636 5671 1 19 . 1 1 43 43 LYS CB C 43 34.670 34.670 33.683 0.987 25636 5672 1 19 . 1 1 43 43 LYS H H 43 9.029 9.029 8.804 0.225 25636 5673 1 19 . 1 1 44 44 ASP N N 44 110.443 110.443 116.276 -5.833 25636 5674 1 19 . 1 1 44 44 ASP HA H 44 4.338 4.338 4.678 -0.340 25636 5675 1 19 . 1 1 44 44 ASP CA C 44 53.074 53.074 54.022 -0.948 25636 5676 1 19 . 1 1 44 44 ASP CB C 44 41.337 41.337 42.629 -1.292 25636 5677 1 19 . 1 1 44 44 ASP H H 44 7.463 7.463 7.653 -0.190 25636 5678 1 19 . 1 1 45 45 GLN N N 45 112.575 112.575 117.503 -4.928 25636 5679 1 19 . 1 1 45 45 GLN HA H 45 4.064 4.064 4.003 0.061 25636 5680 1 19 . 1 1 45 45 GLN CA C 45 57.663 57.663 57.649 0.014 25636 5681 1 19 . 1 1 45 45 GLN CB C 45 28.047 28.047 28.942 -0.895 25636 5682 1 19 . 1 1 45 45 GLN H H 45 8.370 8.370 8.311 0.059 25636 5683 1 19 . 1 1 46 46 ASN N N 46 117.659 117.659 117.938 -0.279 25636 5684 1 19 . 1 1 46 46 ASN HA H 46 4.536 4.536 4.789 -0.253 25636 5685 1 19 . 1 1 46 46 ASN CA C 46 55.271 55.271 52.589 2.682 25636 5686 1 19 . 1 1 46 46 ASN CB C 46 38.046 38.046 38.085 -0.039 25636 5687 1 19 . 1 1 46 46 ASN H H 46 8.704 8.704 8.207 0.497 25636 5688 1 19 . 1 1 47 47 CYS N N 47 112.520 112.520 123.445 -10.925 25636 5689 1 19 . 1 1 47 47 CYS HA H 47 4.397 4.397 4.656 -0.259 25636 5690 1 19 . 1 1 47 47 CYS CA C 47 55.075 55.075 58.483 -3.408 25636 5691 1 19 . 1 1 47 47 CYS CB C 47 36.199 36.199 28.569 7.630 25636 5692 1 19 . 1 1 47 47 CYS H H 47 8.486 8.486 8.027 0.459 25636 5693 1 19 . 1 1 48 48 LYS N N 48 116.117 116.117 123.870 -7.753 25636 5694 1 19 . 1 1 48 48 LYS HA H 48 4.130 4.130 4.594 -0.464 25636 5695 1 19 . 1 1 48 48 LYS CA C 48 56.865 56.865 55.049 1.816 25636 5696 1 19 . 1 1 48 48 LYS CB C 48 32.180 32.180 33.930 -1.750 25636 5697 1 19 . 1 1 48 48 LYS H H 48 7.970 7.970 8.415 -0.445 25636 5698 1 19 . 1 1 49 49 VAL N N 49 126.872 126.872 117.632 9.240 25636 5699 1 19 . 1 1 49 49 VAL HA H 49 3.632 3.632 4.542 -0.910 25636 5700 1 19 . 1 1 49 49 VAL CA C 49 64.782 64.782 61.340 3.442 25636 5701 1 19 . 1 1 49 49 VAL CB C 49 30.317 30.317 31.435 -1.118 25636 5702 1 19 . 1 1 49 49 VAL H H 49 8.951 8.951 8.237 0.714 25636 5703 1 19 . 1 1 50 50 ILE N N 50 132.487 132.487 126.620 5.867 25636 5704 1 19 . 1 1 50 50 ILE HA H 50 4.135 4.135 4.629 -0.494 25636 5705 1 19 . 1 1 50 50 ILE CA C 50 60.535 60.535 60.642 -0.107 25636 5706 1 19 . 1 1 50 50 ILE CB C 50 41.659 41.659 41.855 -0.195 25636 5707 1 19 . 1 1 50 50 ILE H H 50 8.666 8.666 8.023 0.643 25636 5708 1 19 . 1 1 51 51 LEU N N 51 125.179 125.179 123.875 1.304 25636 5709 1 19 . 1 1 51 51 LEU HA H 51 5.250 5.250 5.287 -0.037 25636 5710 1 19 . 1 1 51 51 LEU CA C 51 53.245 53.245 53.608 -0.363 25636 5711 1 19 . 1 1 51 51 LEU CB C 51 41.146 41.146 43.773 -2.627 25636 5712 1 19 . 1 1 51 51 LEU H H 51 8.789 8.789 8.239 0.550 25636 5713 1 19 . 1 1 52 52 THR N N 52 115.511 115.511 115.259 0.252 25636 5714 1 19 . 1 1 52 52 THR HA H 52 4.079 4.079 4.346 -0.267 25636 5715 1 19 . 1 1 52 52 THR CA C 52 63.822 63.822 63.039 0.783 25636 5716 1 19 . 1 1 52 52 THR CB C 52 68.335 68.335 68.936 -0.601 25636 5717 1 19 . 1 1 52 52 THR H H 52 8.528 8.528 8.507 0.021 25636 5718 1 19 . 1 1 53 53 ASN N N 53 116.941 116.941 118.985 -2.044 25636 5719 1 19 . 1 1 53 53 ASN HA H 53 4.514 4.514 4.788 -0.274 25636 5720 1 19 . 1 1 53 53 ASN CA C 53 52.740 52.740 52.913 -0.173 25636 5721 1 19 . 1 1 53 53 ASN CB C 53 37.314 37.314 38.197 -0.883 25636 5722 1 19 . 1 1 53 53 ASN H H 53 8.149 8.149 8.065 0.084 25636 5723 1 19 . 1 1 54 54 GLY N N 54 106.580 106.580 106.120 0.460 25636 5724 1 19 . 1 1 54 54 GLY CA C 54 45.735 45.735 45.791 -0.056 25636 5725 1 19 . 1 1 54 54 GLY H H 54 7.949 7.949 8.533 -0.584 25636 5726 1 19 . 1 1 55 55 LYS N N 55 120.679 120.679 118.316 2.363 25636 5727 1 19 . 1 1 55 55 LYS HA H 55 4.251 4.251 4.568 -0.317 25636 5728 1 19 . 1 1 55 55 LYS CA C 55 55.848 55.848 54.756 1.092 25636 5729 1 19 . 1 1 55 55 LYS CB C 55 32.595 32.595 36.102 -3.507 25636 5730 1 19 . 1 1 55 55 LYS H H 55 7.806 7.806 7.763 0.043 25636 5731 1 19 . 1 1 56 56 GLN N N 56 119.471 119.471 118.373 1.098 25636 5732 1 19 . 1 1 56 56 GLN HA H 56 4.114 4.114 4.708 -0.594 25636 5733 1 19 . 1 1 56 56 GLN CA C 56 55.865 55.865 53.995 1.870 25636 5734 1 19 . 1 1 56 56 GLN CB C 56 29.228 29.228 30.906 -1.678 25636 5735 1 19 . 1 1 56 56 GLN H H 56 8.241 8.241 8.364 -0.123 25636 5736 1 19 . 1 1 57 57 ALA N N 57 129.241 129.241 125.684 3.557 25636 5737 1 19 . 1 1 57 57 ALA HA H 57 4.136 4.136 3.922 0.214 25636 5738 1 19 . 1 1 57 57 ALA CA C 57 50.210 50.210 51.024 -0.814 25636 5739 1 19 . 1 1 57 57 ALA CB C 57 18.056 18.056 17.338 0.718 25636 5740 1 19 . 1 1 57 57 ALA H H 57 8.667 8.667 8.378 0.289 25636 5741 1 19 . 1 1 58 58 PRO HA H 58 4.181 4.181 4.264 -0.083 25636 5742 1 19 . 1 1 58 58 PRO CA C 58 62.162 62.162 61.770 0.392 25636 5743 1 19 . 1 1 58 58 PRO CB C 58 31.226 31.226 31.782 -0.556 25636 5744 1 19 . 1 1 59 59 ASP N N 59 120.839 120.839 116.936 3.903 25636 5745 1 19 . 1 1 59 59 ASP HA H 59 4.151 4.151 4.490 -0.339 25636 5746 1 19 . 1 1 59 59 ASP CA C 59 56.483 56.483 55.249 1.234 25636 5747 1 19 . 1 1 59 59 ASP CB C 59 40.568 40.568 40.936 -0.368 25636 5748 1 19 . 1 1 59 59 ASP H H 59 8.576 8.576 8.468 0.108 25636 5749 1 19 . 1 1 60 60 TRP N N 60 114.095 114.095 116.992 -2.897 25636 5750 1 19 . 1 1 60 60 TRP HA H 60 4.460 4.460 4.827 -0.367 25636 5751 1 19 . 1 1 60 60 TRP CA C 60 54.579 54.579 55.023 -0.444 25636 5752 1 19 . 1 1 60 60 TRP CB C 60 29.366 29.366 28.620 0.746 25636 5753 1 19 . 1 1 60 60 TRP H H 60 6.701 6.701 7.166 -0.465 25636 5754 1 19 . 1 1 61 61 LEU N N 61 123.142 123.142 121.403 1.739 25636 5755 1 19 . 1 1 61 61 LEU HA H 61 4.743 4.743 4.307 0.436 25636 5756 1 19 . 1 1 61 61 LEU CA C 61 54.839 54.839 53.118 1.720 25636 5757 1 19 . 1 1 61 61 LEU CB C 61 42.083 42.083 43.275 -1.192 25636 5758 1 19 . 1 1 61 61 LEU H H 61 6.541 6.541 6.950 -0.409 25636 5759 1 19 . 1 1 62 62 ALA N N 62 131.106 131.106 125.467 5.639 25636 5760 1 19 . 1 1 62 62 ALA HA H 62 4.644 4.644 4.462 0.182 25636 5761 1 19 . 1 1 62 62 ALA CA C 62 50.478 50.478 51.132 -0.654 25636 5762 1 19 . 1 1 62 62 ALA CB C 62 23.434 23.434 22.167 1.267 25636 5763 1 19 . 1 1 62 62 ALA H H 62 8.993 8.993 7.687 1.306 25636 5764 1 19 . 1 1 63 63 ALA N N 63 118.796 118.796 121.048 -2.252 25636 5765 1 19 . 1 1 63 63 ALA HA H 63 5.633 5.633 4.830 0.803 25636 5766 1 19 . 1 1 63 63 ALA CA C 63 51.143 51.143 52.206 -1.063 25636 5767 1 19 . 1 1 63 63 ALA CB C 63 22.490 22.490 21.202 1.288 25636 5768 1 19 . 1 1 63 63 ALA H H 63 8.139 8.139 8.232 -0.093 25636 5769 1 19 . 1 1 64 64 GLU N N 64 116.715 116.715 123.305 -6.590 25636 5770 1 19 . 1 1 64 64 GLU HA H 64 4.902 4.902 4.903 -0.001 25636 5771 1 19 . 1 1 64 64 GLU CA C 64 53.009 53.009 52.996 0.013 25636 5772 1 19 . 1 1 64 64 GLU CB C 64 32.619 32.619 32.012 0.607 25636 5773 1 19 . 1 1 64 64 GLU H H 64 8.563 8.563 8.177 0.386 25636 5774 1 19 . 1 1 65 65 PRO HA H 65 5.486 5.486 4.508 0.978 25636 5775 1 19 . 1 1 65 65 PRO CA C 65 62.878 62.878 62.759 0.119 25636 5776 1 19 . 1 1 65 65 PRO CB C 65 32.606 32.606 32.440 0.166 25636 5777 1 20 . 1 1 2 2 PRO HA H 2 4.386 4.386 4.575 -0.189 25636 5778 1 20 . 1 1 2 2 PRO CA C 2 62.756 62.756 62.421 0.335 25636 5779 1 20 . 1 1 2 2 PRO CB C 2 32.034 32.034 32.858 -0.824 25636 5780 1 20 . 1 1 3 3 ALA N N 3 124.343 124.343 123.614 0.729 25636 5781 1 20 . 1 1 3 3 ALA HA H 3 4.306 4.306 4.649 -0.343 25636 5782 1 20 . 1 1 3 3 ALA CA C 3 52.756 52.756 51.492 1.264 25636 5783 1 20 . 1 1 3 3 ALA CB C 3 19.935 19.935 19.759 0.176 25636 5784 1 20 . 1 1 3 3 ALA H H 3 8.192 8.192 8.338 -0.146 25636 5785 1 20 . 1 1 4 4 ARG N N 4 119.928 119.928 123.836 -3.908 25636 5786 1 20 . 1 1 4 4 ARG HA H 4 4.323 4.323 4.764 -0.441 25636 5787 1 20 . 1 1 4 4 ARG CA C 4 56.231 56.231 55.250 0.981 25636 5788 1 20 . 1 1 4 4 ARG CB C 4 33.629 33.629 31.483 2.146 25636 5789 1 20 . 1 1 4 4 ARG H H 4 9.195 9.195 8.408 0.787 25636 5790 1 20 . 1 1 5 5 PHE N N 5 119.084 119.084 121.339 -2.255 25636 5791 1 20 . 1 1 5 5 PHE HA H 5 5.321 5.321 4.856 0.465 25636 5792 1 20 . 1 1 5 5 PHE CA C 5 56.914 56.914 57.180 -0.266 25636 5793 1 20 . 1 1 5 5 PHE CB C 5 43.554 43.554 43.259 0.295 25636 5794 1 20 . 1 1 5 5 PHE H H 5 9.242 9.242 8.433 0.809 25636 5795 1 20 . 1 1 6 6 CYS N N 6 116.173 116.173 118.703 -2.530 25636 5796 1 20 . 1 1 6 6 CYS HA H 6 5.281 5.281 4.957 0.324 25636 5797 1 20 . 1 1 6 6 CYS CA C 6 54.262 54.262 58.173 -3.911 25636 5798 1 20 . 1 1 6 6 CYS CB C 6 39.730 39.730 30.869 8.861 25636 5799 1 20 . 1 1 6 6 CYS H H 6 9.204 9.204 8.532 0.672 25636 5800 1 20 . 1 1 7 7 VAL N N 7 126.228 126.228 118.834 7.394 25636 5801 1 20 . 1 1 7 7 VAL HA H 7 4.314 4.314 4.346 -0.032 25636 5802 1 20 . 1 1 7 7 VAL CA C 7 60.665 60.665 60.764 -0.099 25636 5803 1 20 . 1 1 7 7 VAL CB C 7 32.359 32.359 35.342 -2.983 25636 5804 1 20 . 1 1 7 7 VAL H H 7 9.474 9.474 9.026 0.448 25636 5805 1 20 . 1 1 8 8 TYR N N 8 123.478 123.478 123.569 -0.091 25636 5806 1 20 . 1 1 8 8 TYR HA H 8 5.120 5.120 4.716 0.404 25636 5807 1 20 . 1 1 8 8 TYR CA C 8 57.174 57.174 56.439 0.735 25636 5808 1 20 . 1 1 8 8 TYR CB C 8 40.918 40.918 42.005 -1.087 25636 5809 1 20 . 1 1 8 8 TYR H H 8 8.195 8.195 7.800 0.395 25636 5810 1 20 . 1 1 9 9 TYR N N 9 119.745 119.745 121.658 -1.913 25636 5811 1 20 . 1 1 9 9 TYR HA H 9 5.209 5.209 4.772 0.437 25636 5812 1 20 . 1 1 9 9 TYR CA C 9 56.930 56.930 56.824 0.106 25636 5813 1 20 . 1 1 9 9 TYR CB C 9 44.026 44.026 42.319 1.706 25636 5814 1 20 . 1 1 9 9 TYR H H 9 9.410 9.410 7.658 1.752 25636 5815 1 20 . 1 1 10 10 ASP N N 10 118.515 118.515 119.507 -0.992 25636 5816 1 20 . 1 1 10 10 ASP HA H 10 5.203 5.203 4.975 0.228 25636 5817 1 20 . 1 1 10 10 ASP CA C 10 52.879 52.879 52.966 -0.087 25636 5818 1 20 . 1 1 10 10 ASP CB C 10 41.522 41.522 45.421 -3.899 25636 5819 1 20 . 1 1 10 10 ASP H H 10 8.948 8.948 8.391 0.557 25636 5820 1 20 . 1 1 11 11 GLY N N 11 114.853 114.853 108.988 5.865 25636 5821 1 20 . 1 1 11 11 GLY CA C 11 44.213 44.213 46.545 -2.332 25636 5822 1 20 . 1 1 11 11 GLY H H 11 9.014 9.014 8.501 0.513 25636 5823 1 20 . 1 1 12 12 HIS N N 12 114.423 114.423 122.447 -8.024 25636 5824 1 20 . 1 1 12 12 HIS HA H 12 4.415 4.415 4.427 -0.012 25636 5825 1 20 . 1 1 12 12 HIS CA C 12 56.572 56.572 55.021 1.551 25636 5826 1 20 . 1 1 12 12 HIS CB C 12 32.017 32.017 32.885 -0.868 25636 5827 1 20 . 1 1 12 12 HIS H H 12 8.133 8.133 8.019 0.114 25636 5828 1 20 . 1 1 13 13 LEU N N 13 123.763 123.763 125.176 -1.413 25636 5829 1 20 . 1 1 13 13 LEU HA H 13 4.777 4.777 4.286 0.491 25636 5830 1 20 . 1 1 13 13 LEU CA C 13 52.049 52.049 54.211 -2.162 25636 5831 1 20 . 1 1 13 13 LEU CB C 13 41.569 41.569 42.586 -1.017 25636 5832 1 20 . 1 1 13 13 LEU H H 13 8.385 8.385 8.701 -0.316 25636 5833 1 20 . 1 1 14 14 PRO HA H 14 3.707 3.707 4.316 -0.609 25636 5834 1 20 . 1 1 14 14 PRO CA C 14 65.579 65.579 64.188 1.391 25636 5835 1 20 . 1 1 14 14 PRO CB C 14 31.895 31.895 31.825 0.070 25636 5836 1 20 . 1 1 15 15 ALA N N 15 115.114 115.114 121.677 -6.563 25636 5837 1 20 . 1 1 15 15 ALA HA H 15 4.149 4.149 4.236 -0.087 25636 5838 1 20 . 1 1 15 15 ALA CA C 15 54.628 54.628 53.998 0.630 25636 5839 1 20 . 1 1 15 15 ALA CB C 15 19.577 19.577 19.395 0.182 25636 5840 1 20 . 1 1 15 15 ALA H H 15 8.162 8.162 8.139 0.023 25636 5841 1 20 . 1 1 16 16 THR N N 16 102.057 102.057 111.524 -9.467 25636 5842 1 20 . 1 1 16 16 THR HA H 16 4.553 4.553 4.358 0.195 25636 5843 1 20 . 1 1 16 16 THR CA C 16 60.331 60.331 61.389 -1.058 25636 5844 1 20 . 1 1 16 16 THR CB C 16 70.574 70.574 69.986 0.588 25636 5845 1 20 . 1 1 16 16 THR H H 16 7.153 7.153 7.625 -0.472 25636 5846 1 20 . 1 1 17 17 ARG N N 17 122.509 122.509 123.567 -1.058 25636 5847 1 20 . 1 1 17 17 ARG HA H 17 4.716 4.716 4.194 0.522 25636 5848 1 20 . 1 1 17 17 ARG CA C 17 56.296 56.296 57.814 -1.518 25636 5849 1 20 . 1 1 17 17 ARG CB C 17 30.021 30.021 30.915 -0.894 25636 5850 1 20 . 1 1 17 17 ARG H H 17 7.901 7.901 7.668 0.233 25636 5851 1 20 . 1 1 18 18 VAL N N 18 122.027 122.027 122.341 -0.314 25636 5852 1 20 . 1 1 18 18 VAL HA H 18 4.293 4.293 4.264 0.029 25636 5853 1 20 . 1 1 18 18 VAL CA C 18 61.462 61.462 61.063 0.399 25636 5854 1 20 . 1 1 18 18 VAL CB C 18 35.247 35.247 34.295 0.952 25636 5855 1 20 . 1 1 18 18 VAL H H 18 8.568 8.568 8.663 -0.095 25636 5856 1 20 . 1 1 19 19 LEU N N 19 130.327 130.327 127.565 2.762 25636 5857 1 20 . 1 1 19 19 LEU HA H 19 3.718 3.718 4.195 -0.477 25636 5858 1 20 . 1 1 19 19 LEU CA C 19 57.467 57.467 55.439 2.028 25636 5859 1 20 . 1 1 19 19 LEU CB C 19 41.862 41.862 42.688 -0.826 25636 5860 1 20 . 1 1 19 19 LEU H H 19 8.670 8.670 8.501 0.169 25636 5861 1 20 . 1 1 20 20 LEU N N 20 126.389 126.389 128.322 -1.933 25636 5862 1 20 . 1 1 20 20 LEU HA H 20 4.588 4.588 4.301 0.287 25636 5863 1 20 . 1 1 20 20 LEU CA C 20 55.873 55.873 56.432 -0.559 25636 5864 1 20 . 1 1 20 20 LEU CB C 20 42.513 42.513 42.618 -0.105 25636 5865 1 20 . 1 1 20 20 LEU H H 20 9.236 9.236 8.198 1.038 25636 5866 1 20 . 1 1 21 21 MET N N 21 114.450 114.450 111.781 2.669 25636 5867 1 20 . 1 1 21 21 MET HA H 21 4.423 4.423 4.578 -0.155 25636 5868 1 20 . 1 1 21 21 MET CA C 21 56.214 56.214 55.175 1.040 25636 5869 1 20 . 1 1 21 21 MET CB C 21 36.964 36.964 36.484 0.480 25636 5870 1 20 . 1 1 21 21 MET H H 21 7.022 7.022 7.489 -0.467 25636 5871 1 20 . 1 1 22 22 TYR N N 22 123.123 123.123 120.075 3.048 25636 5872 1 20 . 1 1 22 22 TYR HA H 22 4.777 4.777 4.641 0.136 25636 5873 1 20 . 1 1 22 22 TYR CA C 22 57.988 57.988 58.313 -0.325 25636 5874 1 20 . 1 1 22 22 TYR CB C 22 39.356 39.356 39.371 -0.015 25636 5875 1 20 . 1 1 22 22 TYR H H 22 8.515 8.515 8.586 -0.071 25636 5876 1 20 . 1 1 23 23 VAL N N 23 123.811 123.811 124.685 -0.874 25636 5877 1 20 . 1 1 23 23 VAL HA H 23 4.371 4.371 4.425 -0.054 25636 5878 1 20 . 1 1 23 23 VAL CA C 23 61.503 61.503 61.270 0.233 25636 5879 1 20 . 1 1 23 23 VAL CB C 23 35.418 35.418 33.621 1.797 25636 5880 1 20 . 1 1 23 23 VAL H H 23 9.417 9.417 8.933 0.484 25636 5881 1 20 . 1 1 24 24 ARG N N 24 129.194 129.194 125.305 3.889 25636 5882 1 20 . 1 1 24 24 ARG HA H 24 3.885 3.885 4.569 -0.684 25636 5883 1 20 . 1 1 24 24 ARG CA C 24 56.784 56.784 55.249 1.535 25636 5884 1 20 . 1 1 24 24 ARG CB C 24 30.178 30.178 31.186 -1.008 25636 5885 1 20 . 1 1 24 24 ARG H H 24 8.892 8.892 8.856 0.036 25636 5886 1 20 . 1 1 25 25 ILE N N 25 128.158 128.158 124.523 3.635 25636 5887 1 20 . 1 1 25 25 ILE HA H 25 3.655 3.655 4.155 -0.500 25636 5888 1 20 . 1 1 25 25 ILE CA C 25 64.879 64.879 59.793 5.086 25636 5889 1 20 . 1 1 25 25 ILE CB C 25 37.154 37.154 34.371 2.783 25636 5890 1 20 . 1 1 25 25 ILE H H 25 8.312 8.312 8.652 -0.340 25636 5891 1 20 . 1 1 26 26 GLY N N 26 115.464 115.464 111.173 4.291 25636 5892 1 20 . 1 1 26 26 GLY CA C 26 44.352 44.352 45.701 -1.349 25636 5893 1 20 . 1 1 26 26 GLY H H 26 9.389 9.389 8.124 1.265 25636 5894 1 20 . 1 1 27 27 THR N N 27 111.341 111.341 115.115 -3.774 25636 5895 1 20 . 1 1 27 27 THR HA H 27 4.926 4.926 4.607 0.319 25636 5896 1 20 . 1 1 27 27 THR CA C 27 60.299 60.299 60.538 -0.240 25636 5897 1 20 . 1 1 27 27 THR CB C 27 72.194 72.194 69.897 2.297 25636 5898 1 20 . 1 1 27 27 THR H H 27 7.877 7.877 7.678 0.199 25636 5899 1 20 . 1 1 28 28 THR N N 28 108.952 108.952 115.425 -6.473 25636 5900 1 20 . 1 1 28 28 THR HA H 28 5.353 5.353 4.555 0.798 25636 5901 1 20 . 1 1 28 28 THR CA C 28 59.143 59.143 61.368 -2.225 25636 5902 1 20 . 1 1 28 28 THR CB C 28 71.706 71.706 69.319 2.387 25636 5903 1 20 . 1 1 28 28 THR H H 28 7.732 7.732 8.224 -0.492 25636 5904 1 20 . 1 1 29 29 ALA N N 29 122.383 122.383 129.209 -6.826 25636 5905 1 20 . 1 1 29 29 ALA HA H 29 4.621 4.621 4.622 -0.001 25636 5906 1 20 . 1 1 29 29 ALA CA C 29 51.796 51.796 50.994 0.802 25636 5907 1 20 . 1 1 29 29 ALA CB C 29 24.556 24.556 21.490 3.066 25636 5908 1 20 . 1 1 29 29 ALA H H 29 8.634 8.634 8.336 0.298 25636 5909 1 20 . 1 1 30 30 THR N N 30 115.881 115.881 113.127 2.754 25636 5910 1 20 . 1 1 30 30 THR HA H 30 4.885 4.885 5.001 -0.116 25636 5911 1 20 . 1 1 30 30 THR CA C 30 62.300 62.300 60.852 1.448 25636 5912 1 20 . 1 1 30 30 THR CB C 30 69.265 69.265 71.032 -1.767 25636 5913 1 20 . 1 1 30 30 THR H H 30 8.317 8.317 8.048 0.269 25636 5914 1 20 . 1 1 31 31 ILE N N 31 126.005 126.005 123.886 2.119 25636 5915 1 20 . 1 1 31 31 ILE HA H 31 4.388 4.388 4.424 -0.036 25636 5916 1 20 . 1 1 31 31 ILE CA C 31 59.562 59.562 60.736 -1.174 25636 5917 1 20 . 1 1 31 31 ILE CB C 31 40.634 40.634 40.923 -0.289 25636 5918 1 20 . 1 1 31 31 ILE H H 31 9.166 9.166 8.792 0.374 25636 5919 1 20 . 1 1 32 32 THR N N 32 120.162 120.162 122.355 -2.193 25636 5920 1 20 . 1 1 32 32 THR HA H 32 5.300 5.300 5.460 -0.160 25636 5921 1 20 . 1 1 32 32 THR CA C 32 60.885 60.885 60.651 0.234 25636 5922 1 20 . 1 1 32 32 THR CB C 32 69.867 69.867 69.103 0.764 25636 5923 1 20 . 1 1 32 32 THR H H 32 8.441 8.441 8.610 -0.169 25636 5924 1 20 . 1 1 33 33 ALA N N 33 127.525 127.525 128.077 -0.552 25636 5925 1 20 . 1 1 33 33 ALA HA H 33 4.644 4.644 4.841 -0.197 25636 5926 1 20 . 1 1 33 33 ALA CA C 33 51.975 51.975 51.768 0.207 25636 5927 1 20 . 1 1 33 33 ALA CB C 33 22.897 22.897 21.738 1.159 25636 5928 1 20 . 1 1 33 33 ALA H H 33 9.130 9.130 9.277 -0.147 25636 5929 1 20 . 1 1 34 34 ARG N N 34 118.330 118.330 121.664 -3.334 25636 5930 1 20 . 1 1 34 34 ARG HA H 34 3.814 3.814 4.000 -0.186 25636 5931 1 20 . 1 1 34 34 ARG CA C 34 57.028 57.028 56.354 0.674 25636 5932 1 20 . 1 1 34 34 ARG CB C 34 27.337 27.337 28.567 -1.230 25636 5933 1 20 . 1 1 34 34 ARG H H 34 9.232 9.232 9.301 -0.069 25636 5934 1 20 . 1 1 35 35 GLY N N 35 104.002 104.002 102.411 1.591 25636 5935 1 20 . 1 1 35 35 GLY CA C 35 45.368 45.368 45.818 -0.450 25636 5936 1 20 . 1 1 35 35 GLY H H 35 8.642 8.642 8.812 -0.170 25636 5937 1 20 . 1 1 36 36 HIS N N 36 119.875 119.875 119.108 0.767 25636 5938 1 20 . 1 1 36 36 HIS HA H 36 4.703 4.703 4.748 -0.045 25636 5939 1 20 . 1 1 36 36 HIS CA C 36 54.376 54.376 54.856 -0.480 25636 5940 1 20 . 1 1 36 36 HIS CB C 36 32.880 32.880 33.193 -0.313 25636 5941 1 20 . 1 1 36 36 HIS H H 36 8.188 8.188 8.008 0.180 25636 5942 1 20 . 1 1 37 37 GLU N N 37 119.578 119.578 121.424 -1.846 25636 5943 1 20 . 1 1 37 37 GLU HA H 37 5.018 5.018 5.109 -0.091 25636 5944 1 20 . 1 1 37 37 GLU CA C 37 55.092 55.092 54.816 0.277 25636 5945 1 20 . 1 1 37 37 GLU CB C 37 31.863 31.863 30.991 0.872 25636 5946 1 20 . 1 1 37 37 GLU H H 37 7.991 7.991 8.324 -0.333 25636 5947 1 20 . 1 1 38 38 PHE N N 38 121.593 121.593 124.057 -2.464 25636 5948 1 20 . 1 1 38 38 PHE HA H 38 4.755 4.755 4.807 -0.052 25636 5949 1 20 . 1 1 38 38 PHE CA C 38 56.442 56.442 56.816 -0.374 25636 5950 1 20 . 1 1 38 38 PHE CB C 38 41.569 41.569 41.113 0.456 25636 5951 1 20 . 1 1 38 38 PHE H H 38 9.149 9.149 9.189 -0.040 25636 5952 1 20 . 1 1 39 39 GLU N N 39 125.332 125.332 126.670 -1.338 25636 5953 1 20 . 1 1 39 39 GLU HA H 39 5.186 5.186 4.607 0.579 25636 5954 1 20 . 1 1 39 39 GLU CA C 39 55.531 55.531 55.531 0.000 25636 5955 1 20 . 1 1 39 39 GLU CB C 39 30.309 30.309 30.564 -0.255 25636 5956 1 20 . 1 1 39 39 GLU H H 39 8.539 8.539 8.974 -0.435 25636 5957 1 20 . 1 1 40 40 VAL N N 40 120.623 120.623 121.633 -1.010 25636 5958 1 20 . 1 1 40 40 VAL HA H 40 5.396 5.396 4.833 0.563 25636 5959 1 20 . 1 1 40 40 VAL CA C 40 58.517 58.517 59.136 -0.619 25636 5960 1 20 . 1 1 40 40 VAL CB C 40 34.287 34.287 34.251 0.036 25636 5961 1 20 . 1 1 40 40 VAL H H 40 8.773 8.773 7.511 1.262 25636 5962 1 20 . 1 1 41 41 GLU N N 41 118.742 118.742 121.762 -3.020 25636 5963 1 20 . 1 1 41 41 GLU HA H 41 4.553 4.553 4.483 0.070 25636 5964 1 20 . 1 1 41 41 GLU CA C 41 54.359 54.359 55.209 -0.850 25636 5965 1 20 . 1 1 41 41 GLU CB C 41 32.408 32.408 31.858 0.550 25636 5966 1 20 . 1 1 41 41 GLU H H 41 7.973 7.973 8.533 -0.560 25636 5967 1 20 . 1 1 42 42 ALA N N 42 132.540 132.540 128.675 3.865 25636 5968 1 20 . 1 1 42 42 ALA HA H 42 4.662 4.662 4.577 0.085 25636 5969 1 20 . 1 1 42 42 ALA CA C 42 50.446 50.446 51.541 -1.095 25636 5970 1 20 . 1 1 42 42 ALA CB C 42 18.015 18.015 19.641 -1.626 25636 5971 1 20 . 1 1 42 42 ALA H H 42 8.181 8.181 8.542 -0.361 25636 5972 1 20 . 1 1 43 43 LYS N N 43 125.936 125.936 122.973 2.963 25636 5973 1 20 . 1 1 43 43 LYS HA H 43 3.955 3.955 4.430 -0.475 25636 5974 1 20 . 1 1 43 43 LYS CA C 43 59.648 59.648 56.333 3.315 25636 5975 1 20 . 1 1 43 43 LYS CB C 43 34.670 34.670 33.823 0.847 25636 5976 1 20 . 1 1 43 43 LYS H H 43 9.029 9.029 8.724 0.305 25636 5977 1 20 . 1 1 44 44 ASP N N 44 110.443 110.443 114.539 -4.096 25636 5978 1 20 . 1 1 44 44 ASP HA H 44 4.338 4.338 4.620 -0.282 25636 5979 1 20 . 1 1 44 44 ASP CA C 44 53.074 53.074 53.616 -0.542 25636 5980 1 20 . 1 1 44 44 ASP CB C 44 41.337 41.337 40.967 0.370 25636 5981 1 20 . 1 1 44 44 ASP H H 44 7.463 7.463 7.760 -0.297 25636 5982 1 20 . 1 1 45 45 GLN N N 45 112.575 112.575 116.823 -4.248 25636 5983 1 20 . 1 1 45 45 GLN HA H 45 4.064 4.064 3.946 0.118 25636 5984 1 20 . 1 1 45 45 GLN CA C 45 57.663 57.663 58.272 -0.609 25636 5985 1 20 . 1 1 45 45 GLN CB C 45 28.047 28.047 29.034 -0.987 25636 5986 1 20 . 1 1 45 45 GLN H H 45 8.370 8.370 8.377 -0.007 25636 5987 1 20 . 1 1 46 46 ASN N N 46 117.659 117.659 118.645 -0.986 25636 5988 1 20 . 1 1 46 46 ASN HA H 46 4.536 4.536 4.725 -0.189 25636 5989 1 20 . 1 1 46 46 ASN CA C 46 55.271 55.271 53.155 2.116 25636 5990 1 20 . 1 1 46 46 ASN CB C 46 38.046 38.046 37.529 0.517 25636 5991 1 20 . 1 1 46 46 ASN H H 46 8.704 8.704 7.961 0.743 25636 5992 1 20 . 1 1 47 47 CYS N N 47 112.520 112.520 122.331 -9.811 25636 5993 1 20 . 1 1 47 47 CYS HA H 47 4.397 4.397 4.607 -0.210 25636 5994 1 20 . 1 1 47 47 CYS CA C 47 55.075 55.075 58.395 -3.320 25636 5995 1 20 . 1 1 47 47 CYS CB C 47 36.199 36.199 29.133 7.066 25636 5996 1 20 . 1 1 47 47 CYS H H 47 8.486 8.486 8.000 0.486 25636 5997 1 20 . 1 1 48 48 LYS N N 48 116.117 116.117 123.457 -7.340 25636 5998 1 20 . 1 1 48 48 LYS HA H 48 4.130 4.130 4.559 -0.429 25636 5999 1 20 . 1 1 48 48 LYS CA C 48 56.865 56.865 54.932 1.933 25636 6000 1 20 . 1 1 48 48 LYS CB C 48 32.180 32.180 34.593 -2.413 25636 6001 1 20 . 1 1 48 48 LYS H H 48 7.970 7.970 8.374 -0.404 25636 6002 1 20 . 1 1 49 49 VAL N N 49 126.872 126.872 120.174 6.698 25636 6003 1 20 . 1 1 49 49 VAL HA H 49 3.632 3.632 4.060 -0.428 25636 6004 1 20 . 1 1 49 49 VAL CA C 49 64.782 64.782 63.357 1.425 25636 6005 1 20 . 1 1 49 49 VAL CB C 49 30.317 30.317 31.387 -1.070 25636 6006 1 20 . 1 1 49 49 VAL H H 49 8.951 8.951 8.504 0.447 25636 6007 1 20 . 1 1 50 50 ILE N N 50 132.487 132.487 126.740 5.747 25636 6008 1 20 . 1 1 50 50 ILE HA H 50 4.135 4.135 4.516 -0.381 25636 6009 1 20 . 1 1 50 50 ILE CA C 50 60.535 60.535 60.666 -0.131 25636 6010 1 20 . 1 1 50 50 ILE CB C 50 41.659 41.659 41.559 0.099 25636 6011 1 20 . 1 1 50 50 ILE H H 50 8.666 8.666 7.721 0.945 25636 6012 1 20 . 1 1 51 51 LEU N N 51 125.179 125.179 124.255 0.924 25636 6013 1 20 . 1 1 51 51 LEU HA H 51 5.250 5.250 5.409 -0.159 25636 6014 1 20 . 1 1 51 51 LEU CA C 51 53.245 53.245 53.395 -0.151 25636 6015 1 20 . 1 1 51 51 LEU CB C 51 41.146 41.146 44.782 -3.636 25636 6016 1 20 . 1 1 51 51 LEU H H 51 8.789 8.789 8.330 0.459 25636 6017 1 20 . 1 1 52 52 THR N N 52 115.511 115.511 115.867 -0.356 25636 6018 1 20 . 1 1 52 52 THR HA H 52 4.079 4.079 4.310 -0.231 25636 6019 1 20 . 1 1 52 52 THR CA C 52 63.822 63.822 63.157 0.665 25636 6020 1 20 . 1 1 52 52 THR CB C 52 68.335 68.335 68.934 -0.599 25636 6021 1 20 . 1 1 52 52 THR H H 52 8.528 8.528 8.419 0.109 25636 6022 1 20 . 1 1 53 53 ASN N N 53 116.941 116.941 119.055 -2.114 25636 6023 1 20 . 1 1 53 53 ASN HA H 53 4.514 4.514 4.754 -0.240 25636 6024 1 20 . 1 1 53 53 ASN CA C 53 52.740 52.740 51.964 0.776 25636 6025 1 20 . 1 1 53 53 ASN CB C 53 37.314 37.314 37.058 0.256 25636 6026 1 20 . 1 1 53 53 ASN H H 53 8.149 8.149 7.942 0.207 25636 6027 1 20 . 1 1 54 54 GLY N N 54 106.580 106.580 108.603 -2.023 25636 6028 1 20 . 1 1 54 54 GLY CA C 54 45.735 45.735 45.793 -0.058 25636 6029 1 20 . 1 1 54 54 GLY H H 54 7.949 7.949 8.489 -0.540 25636 6030 1 20 . 1 1 55 55 LYS N N 55 120.679 120.679 121.232 -0.553 25636 6031 1 20 . 1 1 55 55 LYS HA H 55 4.251 4.251 4.591 -0.340 25636 6032 1 20 . 1 1 55 55 LYS CA C 55 55.848 55.848 55.043 0.805 25636 6033 1 20 . 1 1 55 55 LYS CB C 55 32.595 32.595 34.342 -1.747 25636 6034 1 20 . 1 1 55 55 LYS H H 55 7.806 7.806 7.937 -0.131 25636 6035 1 20 . 1 1 56 56 GLN N N 56 119.471 119.471 122.543 -3.072 25636 6036 1 20 . 1 1 56 56 GLN HA H 56 4.114 4.114 4.159 -0.045 25636 6037 1 20 . 1 1 56 56 GLN CA C 56 55.865 55.865 55.927 -0.062 25636 6038 1 20 . 1 1 56 56 GLN CB C 56 29.228 29.228 29.242 -0.014 25636 6039 1 20 . 1 1 56 56 GLN H H 56 8.241 8.241 8.320 -0.079 25636 6040 1 20 . 1 1 57 57 ALA N N 57 129.241 129.241 124.477 4.764 25636 6041 1 20 . 1 1 57 57 ALA HA H 57 4.136 4.136 4.183 -0.047 25636 6042 1 20 . 1 1 57 57 ALA CA C 57 50.210 50.210 51.417 -1.207 25636 6043 1 20 . 1 1 57 57 ALA CB C 57 18.056 18.056 17.789 0.267 25636 6044 1 20 . 1 1 57 57 ALA H H 57 8.667 8.667 8.450 0.217 25636 6045 1 20 . 1 1 58 58 PRO HA H 58 4.181 4.181 4.354 -0.173 25636 6046 1 20 . 1 1 58 58 PRO CA C 58 62.162 62.162 61.967 0.195 25636 6047 1 20 . 1 1 58 58 PRO CB C 58 31.226 31.226 31.913 -0.687 25636 6048 1 20 . 1 1 59 59 ASP N N 59 120.839 120.839 116.999 3.840 25636 6049 1 20 . 1 1 59 59 ASP HA H 59 4.151 4.151 4.503 -0.352 25636 6050 1 20 . 1 1 59 59 ASP CA C 59 56.483 56.483 55.474 1.009 25636 6051 1 20 . 1 1 59 59 ASP CB C 59 40.568 40.568 40.989 -0.421 25636 6052 1 20 . 1 1 59 59 ASP H H 59 8.576 8.576 8.495 0.081 25636 6053 1 20 . 1 1 60 60 TRP N N 60 114.095 114.095 117.080 -2.985 25636 6054 1 20 . 1 1 60 60 TRP HA H 60 4.460 4.460 4.832 -0.372 25636 6055 1 20 . 1 1 60 60 TRP CA C 60 54.579 54.579 55.078 -0.499 25636 6056 1 20 . 1 1 60 60 TRP CB C 60 29.366 29.366 28.606 0.760 25636 6057 1 20 . 1 1 60 60 TRP H H 60 6.701 6.701 7.203 -0.502 25636 6058 1 20 . 1 1 61 61 LEU N N 61 123.142 123.142 121.261 1.881 25636 6059 1 20 . 1 1 61 61 LEU HA H 61 4.743 4.743 4.260 0.483 25636 6060 1 20 . 1 1 61 61 LEU CA C 61 54.839 54.839 53.062 1.777 25636 6061 1 20 . 1 1 61 61 LEU CB C 61 42.083 42.083 43.596 -1.513 25636 6062 1 20 . 1 1 61 61 LEU H H 61 6.541 6.541 6.957 -0.416 25636 6063 1 20 . 1 1 62 62 ALA N N 62 131.106 131.106 124.777 6.329 25636 6064 1 20 . 1 1 62 62 ALA HA H 62 4.644 4.644 4.451 0.193 25636 6065 1 20 . 1 1 62 62 ALA CA C 62 50.478 50.478 51.140 -0.662 25636 6066 1 20 . 1 1 62 62 ALA CB C 62 23.434 23.434 22.164 1.270 25636 6067 1 20 . 1 1 62 62 ALA H H 62 8.993 8.993 7.633 1.360 25636 6068 1 20 . 1 1 63 63 ALA N N 63 118.796 118.796 121.326 -2.530 25636 6069 1 20 . 1 1 63 63 ALA HA H 63 5.633 5.633 4.819 0.814 25636 6070 1 20 . 1 1 63 63 ALA CA C 63 51.143 51.143 52.248 -1.105 25636 6071 1 20 . 1 1 63 63 ALA CB C 63 22.490 22.490 21.043 1.447 25636 6072 1 20 . 1 1 63 63 ALA H H 63 8.139 8.139 8.179 -0.040 25636 6073 1 20 . 1 1 64 64 GLU N N 64 116.715 116.715 123.852 -7.137 25636 6074 1 20 . 1 1 64 64 GLU HA H 64 4.902 4.902 4.906 -0.004 25636 6075 1 20 . 1 1 64 64 GLU CA C 64 53.009 53.009 53.462 -0.453 25636 6076 1 20 . 1 1 64 64 GLU CB C 64 32.619 32.619 31.484 1.135 25636 6077 1 20 . 1 1 64 64 GLU H H 64 8.563 8.563 8.123 0.440 25636 6078 1 20 . 1 1 65 65 PRO HA H 65 5.486 5.486 4.476 1.010 25636 6079 1 20 . 1 1 65 65 PRO CA C 65 62.878 62.878 62.930 -0.052 25636 6080 1 20 . 1 1 65 65 PRO CB C 65 32.606 32.606 32.921 -0.315 25636 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 60 4.029 0.688 4.003 25636 2 1 1 "Average Difference" HA 68 0.363 -0.030 0.365 25636 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25636 4 1 1 "Average Difference" CA 64 1.302 -0.112 1.307 25636 5 1 1 "Average Difference" CB 60 2.188 -0.241 2.193 25636 6 1 1 "Average Difference" HN 60 0.536 -0.179 0.509 25636 7 1 2 "Average Difference" N 60 4.015 0.636 3.998 25636 8 1 2 "Average Difference" HA 68 0.364 -0.036 0.365 25636 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25636 10 1 2 "Average Difference" CA 64 1.341 -0.080 1.350 25636 11 1 2 "Average Difference" CB 60 2.072 -0.107 2.086 25636 12 1 2 "Average Difference" HN 60 0.540 -0.179 0.514 25636 13 1 3 "Average Difference" N 60 4.014 0.656 3.993 25636 14 1 3 "Average Difference" HA 68 0.371 -0.040 0.371 25636 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25636 16 1 3 "Average Difference" CA 64 1.312 -0.101 1.318 25636 17 1 3 "Average Difference" CB 60 2.129 -0.213 2.136 25636 18 1 3 "Average Difference" HN 60 0.536 -0.195 0.503 25636 19 1 4 "Average Difference" N 60 4.048 0.493 4.052 25636 20 1 4 "Average Difference" HA 68 0.402 -0.041 0.403 25636 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25636 22 1 4 "Average Difference" CA 64 1.402 -0.091 1.410 25636 23 1 4 "Average Difference" CB 60 2.110 -0.250 2.113 25636 24 1 4 "Average Difference" HN 60 0.566 -0.197 0.535 25636 25 1 5 "Average Difference" N 60 4.117 0.485 4.123 25636 26 1 5 "Average Difference" HA 68 0.360 -0.032 0.361 25636 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25636 28 1 5 "Average Difference" CA 64 1.449 -0.149 1.452 25636 29 1 5 "Average Difference" CB 60 2.026 -0.201 2.033 25636 30 1 5 "Average Difference" HN 60 0.543 -0.197 0.511 25636 31 1 6 "Average Difference" N 60 4.136 0.521 4.138 25636 32 1 6 "Average Difference" HA 68 0.372 -0.030 0.373 25636 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25636 34 1 6 "Average Difference" CA 64 1.443 -0.171 1.444 25636 35 1 6 "Average Difference" CB 60 2.025 -0.222 2.030 25636 36 1 6 "Average Difference" HN 60 0.535 -0.196 0.502 25636 37 1 7 "Average Difference" N 60 4.232 0.702 4.209 25636 38 1 7 "Average Difference" HA 68 0.378 -0.044 0.378 25636 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25636 40 1 7 "Average Difference" CA 64 1.342 -0.120 1.347 25636 41 1 7 "Average Difference" CB 60 2.013 -0.185 2.021 25636 42 1 7 "Average Difference" HN 60 0.555 -0.211 0.518 25636 43 1 8 "Average Difference" N 60 4.024 0.779 3.981 25636 44 1 8 "Average Difference" HA 68 0.390 -0.034 0.392 25636 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25636 46 1 8 "Average Difference" CA 64 1.324 -0.084 1.332 25636 47 1 8 "Average Difference" CB 60 2.290 -0.298 2.290 25636 48 1 8 "Average Difference" HN 60 0.536 -0.168 0.513 25636 49 1 9 "Average Difference" N 60 4.123 0.425 4.135 25636 50 1 9 "Average Difference" HA 68 0.356 -0.024 0.357 25636 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25636 52 1 9 "Average Difference" CA 64 1.379 -0.113 1.386 25636 53 1 9 "Average Difference" CB 60 1.995 -0.178 2.004 25636 54 1 9 "Average Difference" HN 60 0.526 -0.173 0.501 25636 55 1 10 "Average Difference" N 60 4.283 0.809 4.242 25636 56 1 10 "Average Difference" HA 68 0.389 -0.000 0.392 25636 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25636 58 1 10 "Average Difference" CA 64 1.371 -0.093 1.379 25636 59 1 10 "Average Difference" CB 60 2.071 -0.189 2.080 25636 60 1 10 "Average Difference" HN 60 0.525 -0.182 0.497 25636 61 1 11 "Average Difference" N 60 4.017 0.682 3.992 25636 62 1 11 "Average Difference" HA 68 0.369 -0.035 0.370 25636 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25636 64 1 11 "Average Difference" CA 64 1.348 -0.114 1.354 25636 65 1 11 "Average Difference" CB 60 2.016 -0.261 2.016 25636 66 1 11 "Average Difference" HN 60 0.538 -0.205 0.502 25636 67 1 12 "Average Difference" N 60 4.052 0.633 4.036 25636 68 1 12 "Average Difference" HA 68 0.357 -0.043 0.357 25636 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25636 70 1 12 "Average Difference" CA 64 1.353 -0.083 1.361 25636 71 1 12 "Average Difference" CB 60 2.067 -0.280 2.066 25636 72 1 12 "Average Difference" HN 60 0.549 -0.205 0.514 25636 73 1 13 "Average Difference" N 60 4.284 0.215 4.315 25636 74 1 13 "Average Difference" HA 68 0.372 -0.038 0.373 25636 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25636 76 1 13 "Average Difference" CA 64 1.368 -0.114 1.374 25636 77 1 13 "Average Difference" CB 60 2.023 -0.204 2.029 25636 78 1 13 "Average Difference" HN 60 0.568 -0.198 0.537 25636 79 1 14 "Average Difference" N 60 3.920 0.765 3.877 25636 80 1 14 "Average Difference" HA 68 0.359 -0.046 0.359 25636 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25636 82 1 14 "Average Difference" CA 64 1.401 -0.109 1.408 25636 83 1 14 "Average Difference" CB 60 2.018 -0.333 2.008 25636 84 1 14 "Average Difference" HN 60 0.527 -0.187 0.496 25636 85 1 15 "Average Difference" N 60 4.095 0.302 4.118 25636 86 1 15 "Average Difference" HA 68 0.367 -0.041 0.367 25636 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25636 88 1 15 "Average Difference" CA 64 1.424 -0.142 1.428 25636 89 1 15 "Average Difference" CB 60 2.011 -0.157 2.021 25636 90 1 15 "Average Difference" HN 60 0.564 -0.214 0.526 25636 91 1 16 "Average Difference" N 60 4.111 0.432 4.123 25636 92 1 16 "Average Difference" HA 68 0.365 -0.034 0.366 25636 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25636 94 1 16 "Average Difference" CA 64 1.363 -0.103 1.370 25636 95 1 16 "Average Difference" CB 60 2.068 -0.217 2.073 25636 96 1 16 "Average Difference" HN 60 0.554 -0.186 0.527 25636 97 1 17 "Average Difference" N 60 4.161 0.659 4.143 25636 98 1 17 "Average Difference" HA 68 0.370 -0.012 0.372 25636 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25636 100 1 17 "Average Difference" CA 64 1.403 -0.123 1.409 25636 101 1 17 "Average Difference" CB 60 2.073 -0.307 2.068 25636 102 1 17 "Average Difference" HN 60 0.532 -0.204 0.496 25636 103 1 18 "Average Difference" N 60 4.023 0.587 4.014 25636 104 1 18 "Average Difference" HA 68 0.369 -0.015 0.371 25636 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25636 106 1 18 "Average Difference" CA 64 1.480 -0.143 1.485 25636 107 1 18 "Average Difference" CB 60 2.046 -0.166 2.057 25636 108 1 18 "Average Difference" HN 60 0.526 -0.174 0.501 25636 109 1 19 "Average Difference" N 60 4.140 0.585 4.133 25636 110 1 19 "Average Difference" HA 68 0.387 -0.014 0.390 25636 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25636 112 1 19 "Average Difference" CA 64 1.398 -0.154 1.401 25636 113 1 19 "Average Difference" CB 60 2.143 -0.207 2.151 25636 114 1 19 "Average Difference" HN 60 0.516 -0.173 0.490 25636 115 1 20 "Average Difference" N 60 4.095 0.715 4.066 25636 116 1 20 "Average Difference" HA 68 0.373 -0.022 0.375 25636 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25636 118 1 20 "Average Difference" CA 64 1.413 -0.077 1.422 25636 119 1 20 "Average Difference" CB 60 2.018 -0.221 2.023 25636 120 1 20 "Average Difference" HN 60 0.545 -0.176 0.520 25636 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 25636 _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 PRO HA H 2 4.386 4.386 4.536 -0.150 25636 2 1 . 1 1 2 2 PRO CA C 2 62.756 62.756 62.518 0.238 25636 3 1 . 1 1 2 2 PRO CB C 2 32.034 32.034 32.537 -0.503 25636 4 1 . 1 1 3 3 ALA N N 3 124.343 124.343 124.379 -0.036 25636 5 1 . 1 1 3 3 ALA HA H 3 4.306 4.306 4.492 -0.186 25636 6 1 . 1 1 3 3 ALA CA C 3 52.756 52.756 51.872 0.884 25636 7 1 . 1 1 3 3 ALA CB C 3 19.935 19.935 19.841 0.094 25636 8 1 . 1 1 3 3 ALA H H 3 8.192 8.192 8.310 -0.118 25636 9 1 . 1 1 4 4 ARG N N 4 119.928 119.928 122.032 -2.104 25636 10 1 . 1 1 4 4 ARG HA H 4 4.323 4.323 4.698 -0.375 25636 11 1 . 1 1 4 4 ARG CA C 4 56.231 56.231 55.305 0.926 25636 12 1 . 1 1 4 4 ARG CB C 4 33.629 33.629 32.579 1.050 25636 13 1 . 1 1 4 4 ARG H H 4 9.195 9.195 8.417 0.777 25636 14 1 . 1 1 5 5 PHE N N 5 119.084 119.084 119.913 -0.829 25636 15 1 . 1 1 5 5 PHE HA H 5 5.321 5.321 4.773 0.548 25636 16 1 . 1 1 5 5 PHE CA C 5 56.914 56.914 57.155 -0.241 25636 17 1 . 1 1 5 5 PHE CB C 5 43.554 43.554 43.228 0.326 25636 18 1 . 1 1 5 5 PHE H H 5 9.242 9.242 8.415 0.827 25636 19 1 . 1 1 6 6 CYS N N 6 116.173 116.173 118.692 -2.519 25636 20 1 . 1 1 6 6 CYS HA H 6 5.281 5.281 4.957 0.324 25636 21 1 . 1 1 6 6 CYS CA C 6 54.262 54.262 58.268 -4.006 25636 22 1 . 1 1 6 6 CYS CB C 6 39.730 39.730 30.325 9.405 25636 23 1 . 1 1 6 6 CYS H H 6 9.204 9.204 8.566 0.638 25636 24 1 . 1 1 7 7 VAL N N 7 126.228 126.228 118.850 7.378 25636 25 1 . 1 1 7 7 VAL HA H 7 4.314 4.314 4.492 -0.178 25636 26 1 . 1 1 7 7 VAL CA C 7 60.665 60.665 60.261 0.404 25636 27 1 . 1 1 7 7 VAL CB C 7 32.359 32.359 34.720 -2.361 25636 28 1 . 1 1 7 7 VAL H H 7 9.474 9.474 8.783 0.691 25636 29 1 . 1 1 8 8 TYR N N 8 123.478 123.478 123.737 -0.259 25636 30 1 . 1 1 8 8 TYR HA H 8 5.120 5.120 4.726 0.394 25636 31 1 . 1 1 8 8 TYR CA C 8 57.174 57.174 56.501 0.673 25636 32 1 . 1 1 8 8 TYR CB C 8 40.918 40.918 41.909 -0.991 25636 33 1 . 1 1 8 8 TYR H H 8 8.195 8.195 7.770 0.425 25636 34 1 . 1 1 9 9 TYR N N 9 119.745 119.745 121.772 -2.027 25636 35 1 . 1 1 9 9 TYR HA H 9 5.209 5.209 4.775 0.434 25636 36 1 . 1 1 9 9 TYR CA C 9 56.930 56.930 56.894 0.036 25636 37 1 . 1 1 9 9 TYR CB C 9 44.026 44.026 42.365 1.660 25636 38 1 . 1 1 9 9 TYR H H 9 9.410 9.410 7.747 1.663 25636 39 1 . 1 1 10 10 ASP N N 10 118.515 118.515 118.921 -0.406 25636 40 1 . 1 1 10 10 ASP HA H 10 5.203 5.203 5.035 0.168 25636 41 1 . 1 1 10 10 ASP CA C 10 52.879 52.879 52.803 0.076 25636 42 1 . 1 1 10 10 ASP CB C 10 41.522 41.522 45.148 -3.626 25636 43 1 . 1 1 10 10 ASP H H 10 8.948 8.948 8.437 0.511 25636 44 1 . 1 1 11 11 GLY N N 11 114.853 114.853 108.959 5.894 25636 45 1 . 1 1 11 11 GLY CA C 11 44.213 44.213 46.651 -2.438 25636 46 1 . 1 1 11 11 GLY H H 11 9.014 9.014 8.662 0.352 25636 47 1 . 1 1 12 12 HIS N N 12 114.423 114.423 121.961 -7.538 25636 48 1 . 1 1 12 12 HIS HA H 12 4.415 4.415 4.476 -0.061 25636 49 1 . 1 1 12 12 HIS CA C 12 56.572 56.572 55.034 1.538 25636 50 1 . 1 1 12 12 HIS CB C 12 32.017 32.017 32.977 -0.960 25636 51 1 . 1 1 12 12 HIS H H 12 8.133 8.133 7.978 0.155 25636 52 1 . 1 1 13 13 LEU N N 13 123.763 123.763 124.912 -1.149 25636 53 1 . 1 1 13 13 LEU HA H 13 4.777 4.777 4.256 0.521 25636 54 1 . 1 1 13 13 LEU CA C 13 52.049 52.049 54.266 -2.217 25636 55 1 . 1 1 13 13 LEU CB C 13 41.569 41.569 42.418 -0.849 25636 56 1 . 1 1 13 13 LEU H H 13 8.385 8.385 8.618 -0.233 25636 57 1 . 1 1 14 14 PRO HA H 14 3.707 3.707 4.304 -0.597 25636 58 1 . 1 1 14 14 PRO CA C 14 65.579 65.579 64.196 1.383 25636 59 1 . 1 1 14 14 PRO CB C 14 31.895 31.895 31.904 -0.009 25636 60 1 . 1 1 15 15 ALA N N 15 115.114 115.114 121.362 -6.248 25636 61 1 . 1 1 15 15 ALA HA H 15 4.149 4.149 4.251 -0.102 25636 62 1 . 1 1 15 15 ALA CA C 15 54.628 54.628 54.069 0.559 25636 63 1 . 1 1 15 15 ALA CB C 15 19.577 19.577 19.136 0.441 25636 64 1 . 1 1 15 15 ALA H H 15 8.162 8.162 8.106 0.056 25636 65 1 . 1 1 16 16 THR N N 16 102.057 102.057 111.547 -9.490 25636 66 1 . 1 1 16 16 THR HA H 16 4.553 4.553 4.427 0.126 25636 67 1 . 1 1 16 16 THR CA C 16 60.331 60.331 61.043 -0.712 25636 68 1 . 1 1 16 16 THR CB C 16 70.574 70.574 69.743 0.831 25636 69 1 . 1 1 16 16 THR H H 16 7.153 7.153 7.610 -0.457 25636 70 1 . 1 1 17 17 ARG N N 17 122.509 122.509 123.101 -0.592 25636 71 1 . 1 1 17 17 ARG HA H 17 4.716 4.716 4.198 0.518 25636 72 1 . 1 1 17 17 ARG CA C 17 56.296 56.296 57.318 -1.022 25636 73 1 . 1 1 17 17 ARG CB C 17 30.021 30.021 30.755 -0.734 25636 74 1 . 1 1 17 17 ARG H H 17 7.901 7.901 7.623 0.278 25636 75 1 . 1 1 18 18 VAL N N 18 122.027 122.027 121.368 0.659 25636 76 1 . 1 1 18 18 VAL HA H 18 4.293 4.293 4.268 0.025 25636 77 1 . 1 1 18 18 VAL CA C 18 61.462 61.462 61.437 0.025 25636 78 1 . 1 1 18 18 VAL CB C 18 35.247 35.247 34.275 0.972 25636 79 1 . 1 1 18 18 VAL H H 18 8.568 8.568 8.643 -0.075 25636 80 1 . 1 1 19 19 LEU N N 19 130.327 130.327 127.199 3.128 25636 81 1 . 1 1 19 19 LEU HA H 19 3.718 3.718 4.230 -0.512 25636 82 1 . 1 1 19 19 LEU CA C 19 57.467 57.467 55.310 2.157 25636 83 1 . 1 1 19 19 LEU CB C 19 41.862 41.862 42.671 -0.809 25636 84 1 . 1 1 19 19 LEU H H 19 8.670 8.670 8.510 0.160 25636 85 1 . 1 1 20 20 LEU N N 20 126.389 126.389 128.399 -2.010 25636 86 1 . 1 1 20 20 LEU HA H 20 4.588 4.588 4.316 0.272 25636 87 1 . 1 1 20 20 LEU CA C 20 55.873 55.873 56.386 -0.513 25636 88 1 . 1 1 20 20 LEU CB C 20 42.513 42.513 42.714 -0.201 25636 89 1 . 1 1 20 20 LEU H H 20 9.236 9.236 8.204 1.032 25636 90 1 . 1 1 21 21 MET N N 21 114.450 114.450 112.022 2.428 25636 91 1 . 1 1 21 21 MET HA H 21 4.423 4.423 4.583 -0.160 25636 92 1 . 1 1 21 21 MET CA C 21 56.214 56.214 54.954 1.260 25636 93 1 . 1 1 21 21 MET CB C 21 36.964 36.964 36.344 0.620 25636 94 1 . 1 1 21 21 MET H H 21 7.022 7.022 7.535 -0.513 25636 95 1 . 1 1 22 22 TYR N N 22 123.123 123.123 120.063 3.060 25636 96 1 . 1 1 22 22 TYR HA H 22 4.777 4.777 4.603 0.174 25636 97 1 . 1 1 22 22 TYR CA C 22 57.988 57.988 58.236 -0.248 25636 98 1 . 1 1 22 22 TYR CB C 22 39.356 39.356 39.268 0.088 25636 99 1 . 1 1 22 22 TYR H H 22 8.515 8.515 8.612 -0.097 25636 100 1 . 1 1 23 23 VAL N N 23 123.811 123.811 124.039 -0.228 25636 101 1 . 1 1 23 23 VAL HA H 23 4.371 4.371 4.413 -0.042 25636 102 1 . 1 1 23 23 VAL CA C 23 61.503 61.503 61.244 0.259 25636 103 1 . 1 1 23 23 VAL CB C 23 35.418 35.418 33.101 2.317 25636 104 1 . 1 1 23 23 VAL H H 23 9.417 9.417 8.800 0.617 25636 105 1 . 1 1 24 24 ARG N N 24 129.194 129.194 127.191 2.003 25636 106 1 . 1 1 24 24 ARG HA H 24 3.885 3.885 4.384 -0.499 25636 107 1 . 1 1 24 24 ARG CA C 24 56.784 56.784 56.071 0.713 25636 108 1 . 1 1 24 24 ARG CB C 24 30.178 30.178 31.009 -0.831 25636 109 1 . 1 1 24 24 ARG H H 24 8.892 8.892 8.787 0.105 25636 110 1 . 1 1 25 25 ILE N N 25 128.158 128.158 124.882 3.276 25636 111 1 . 1 1 25 25 ILE HA H 25 3.655 3.655 4.040 -0.385 25636 112 1 . 1 1 25 25 ILE CA C 25 64.879 64.879 60.723 4.155 25636 113 1 . 1 1 25 25 ILE CB C 25 37.154 37.154 34.934 2.220 25636 114 1 . 1 1 25 25 ILE H H 25 8.312 8.312 8.373 -0.061 25636 115 1 . 1 1 26 26 GLY N N 26 115.464 115.464 110.704 4.760 25636 116 1 . 1 1 26 26 GLY CA C 26 44.352 44.352 45.451 -1.099 25636 117 1 . 1 1 26 26 GLY H H 26 9.389 9.389 8.223 1.166 25636 118 1 . 1 1 27 27 THR N N 27 111.341 111.341 115.094 -3.753 25636 119 1 . 1 1 27 27 THR HA H 27 4.926 4.926 4.617 0.308 25636 120 1 . 1 1 27 27 THR CA C 27 60.299 60.299 60.847 -0.548 25636 121 1 . 1 1 27 27 THR CB C 27 72.194 72.194 70.230 1.964 25636 122 1 . 1 1 27 27 THR H H 27 7.877 7.877 7.625 0.252 25636 123 1 . 1 1 28 28 THR N N 28 108.952 108.952 115.670 -6.718 25636 124 1 . 1 1 28 28 THR HA H 28 5.353 5.353 4.536 0.817 25636 125 1 . 1 1 28 28 THR CA C 28 59.143 59.143 61.401 -2.258 25636 126 1 . 1 1 28 28 THR CB C 28 71.706 71.706 69.341 2.365 25636 127 1 . 1 1 28 28 THR H H 28 7.732 7.732 8.226 -0.494 25636 128 1 . 1 1 29 29 ALA N N 29 122.383 122.383 129.188 -6.805 25636 129 1 . 1 1 29 29 ALA HA H 29 4.621 4.621 4.673 -0.052 25636 130 1 . 1 1 29 29 ALA CA C 29 51.796 51.796 51.157 0.639 25636 131 1 . 1 1 29 29 ALA CB C 29 24.556 24.556 21.524 3.032 25636 132 1 . 1 1 29 29 ALA H H 29 8.634 8.634 8.399 0.235 25636 133 1 . 1 1 30 30 THR N N 30 115.881 115.881 114.159 1.722 25636 134 1 . 1 1 30 30 THR HA H 30 4.885 4.885 4.838 0.047 25636 135 1 . 1 1 30 30 THR CA C 30 62.300 62.300 61.325 0.975 25636 136 1 . 1 1 30 30 THR CB C 30 69.265 69.265 70.483 -1.218 25636 137 1 . 1 1 30 30 THR H H 30 8.317 8.317 8.104 0.213 25636 138 1 . 1 1 31 31 ILE N N 31 126.005 126.005 124.882 1.123 25636 139 1 . 1 1 31 31 ILE HA H 31 4.388 4.388 4.424 -0.036 25636 140 1 . 1 1 31 31 ILE CA C 31 59.562 59.562 60.377 -0.815 25636 141 1 . 1 1 31 31 ILE CB C 31 40.634 40.634 40.859 -0.225 25636 142 1 . 1 1 31 31 ILE H H 31 9.166 9.166 8.958 0.208 25636 143 1 . 1 1 32 32 THR N N 32 120.162 120.162 122.259 -2.097 25636 144 1 . 1 1 32 32 THR HA H 32 5.300 5.300 5.116 0.184 25636 145 1 . 1 1 32 32 THR CA C 32 60.885 60.885 60.950 -0.065 25636 146 1 . 1 1 32 32 THR CB C 32 69.867 69.867 69.178 0.689 25636 147 1 . 1 1 32 32 THR H H 32 8.441 8.441 8.582 -0.141 25636 148 1 . 1 1 33 33 ALA N N 33 127.525 127.525 127.702 -0.177 25636 149 1 . 1 1 33 33 ALA HA H 33 4.644 4.644 4.737 -0.093 25636 150 1 . 1 1 33 33 ALA CA C 33 51.975 51.975 51.917 0.058 25636 151 1 . 1 1 33 33 ALA CB C 33 22.897 22.897 21.699 1.198 25636 152 1 . 1 1 33 33 ALA H H 33 9.130 9.130 8.840 0.290 25636 153 1 . 1 1 34 34 ARG N N 34 118.330 118.330 121.682 -3.352 25636 154 1 . 1 1 34 34 ARG HA H 34 3.814 3.814 4.046 -0.232 25636 155 1 . 1 1 34 34 ARG CA C 34 57.028 57.028 56.741 0.287 25636 156 1 . 1 1 34 34 ARG CB C 34 27.337 27.337 28.260 -0.923 25636 157 1 . 1 1 34 34 ARG H H 34 9.232 9.232 9.251 -0.019 25636 158 1 . 1 1 35 35 GLY N N 35 104.002 104.002 103.610 0.392 25636 159 1 . 1 1 35 35 GLY CA C 35 45.368 45.368 45.390 -0.022 25636 160 1 . 1 1 35 35 GLY H H 35 8.642 8.642 8.570 0.072 25636 161 1 . 1 1 36 36 HIS N N 36 119.875 119.875 118.753 1.122 25636 162 1 . 1 1 36 36 HIS HA H 36 4.703 4.703 4.707 -0.004 25636 163 1 . 1 1 36 36 HIS CA C 36 54.376 54.376 54.852 -0.476 25636 164 1 . 1 1 36 36 HIS CB C 36 32.880 32.880 33.110 -0.230 25636 165 1 . 1 1 36 36 HIS H H 36 8.188 8.188 7.897 0.291 25636 166 1 . 1 1 37 37 GLU N N 37 119.578 119.578 122.127 -2.549 25636 167 1 . 1 1 37 37 GLU HA H 37 5.018 5.018 4.838 0.180 25636 168 1 . 1 1 37 37 GLU CA C 37 55.092 55.092 54.951 0.141 25636 169 1 . 1 1 37 37 GLU CB C 37 31.863 31.863 30.793 1.070 25636 170 1 . 1 1 37 37 GLU H H 37 7.991 7.991 8.448 -0.457 25636 171 1 . 1 1 38 38 PHE N N 38 121.593 121.593 124.047 -2.454 25636 172 1 . 1 1 38 38 PHE HA H 38 4.755 4.755 4.775 -0.020 25636 173 1 . 1 1 38 38 PHE CA C 38 56.442 56.442 56.136 0.306 25636 174 1 . 1 1 38 38 PHE CB C 38 41.569 41.569 40.977 0.592 25636 175 1 . 1 1 38 38 PHE H H 38 9.149 9.149 9.060 0.089 25636 176 1 . 1 1 39 39 GLU N N 39 125.332 125.332 126.211 -0.879 25636 177 1 . 1 1 39 39 GLU HA H 39 5.186 5.186 4.668 0.518 25636 178 1 . 1 1 39 39 GLU CA C 39 55.531 55.531 55.287 0.244 25636 179 1 . 1 1 39 39 GLU CB C 39 30.309 30.309 30.485 -0.176 25636 180 1 . 1 1 39 39 GLU H H 39 8.539 8.539 9.019 -0.480 25636 181 1 . 1 1 40 40 VAL N N 40 120.623 120.623 120.846 -0.223 25636 182 1 . 1 1 40 40 VAL HA H 40 5.396 5.396 4.881 0.514 25636 183 1 . 1 1 40 40 VAL CA C 40 58.517 58.517 59.065 -0.547 25636 184 1 . 1 1 40 40 VAL CB C 40 34.287 34.287 34.189 0.098 25636 185 1 . 1 1 40 40 VAL H H 40 8.773 8.773 7.639 1.134 25636 186 1 . 1 1 41 41 GLU N N 41 118.742 118.742 121.143 -2.401 25636 187 1 . 1 1 41 41 GLU HA H 41 4.553 4.553 4.527 0.026 25636 188 1 . 1 1 41 41 GLU CA C 41 54.359 54.359 55.208 -0.849 25636 189 1 . 1 1 41 41 GLU CB C 41 32.408 32.408 31.999 0.409 25636 190 1 . 1 1 41 41 GLU H H 41 7.973 7.973 8.523 -0.550 25636 191 1 . 1 1 42 42 ALA N N 42 132.540 132.540 128.205 4.335 25636 192 1 . 1 1 42 42 ALA HA H 42 4.662 4.662 4.586 0.076 25636 193 1 . 1 1 42 42 ALA CA C 42 50.446 50.446 51.409 -0.963 25636 194 1 . 1 1 42 42 ALA CB C 42 18.015 18.015 19.825 -1.810 25636 195 1 . 1 1 42 42 ALA H H 42 8.181 8.181 8.504 -0.323 25636 196 1 . 1 1 43 43 LYS N N 43 125.936 125.936 122.352 3.583 25636 197 1 . 1 1 43 43 LYS HA H 43 3.955 3.955 4.467 -0.512 25636 198 1 . 1 1 43 43 LYS CA C 43 59.648 59.648 56.375 3.273 25636 199 1 . 1 1 43 43 LYS CB C 43 34.670 34.670 33.611 1.059 25636 200 1 . 1 1 43 43 LYS H H 43 9.029 9.029 8.743 0.286 25636 201 1 . 1 1 44 44 ASP N N 44 110.443 110.443 116.102 -5.659 25636 202 1 . 1 1 44 44 ASP HA H 44 4.338 4.338 4.643 -0.305 25636 203 1 . 1 1 44 44 ASP CA C 44 53.074 53.074 53.696 -0.622 25636 204 1 . 1 1 44 44 ASP CB C 44 41.337 41.337 41.957 -0.620 25636 205 1 . 1 1 44 44 ASP H H 44 7.463 7.463 7.690 -0.227 25636 206 1 . 1 1 45 45 GLN N N 45 112.575 112.575 117.057 -4.482 25636 207 1 . 1 1 45 45 GLN HA H 45 4.064 4.064 3.966 0.098 25636 208 1 . 1 1 45 45 GLN CA C 45 57.663 57.663 58.021 -0.358 25636 209 1 . 1 1 45 45 GLN CB C 45 28.047 28.047 28.937 -0.890 25636 210 1 . 1 1 45 45 GLN H H 45 8.370 8.370 8.428 -0.058 25636 211 1 . 1 1 46 46 ASN N N 46 117.659 117.659 118.882 -1.223 25636 212 1 . 1 1 46 46 ASN HA H 46 4.536 4.536 4.742 -0.206 25636 213 1 . 1 1 46 46 ASN CA C 46 55.271 55.271 53.041 2.230 25636 214 1 . 1 1 46 46 ASN CB C 46 38.046 38.046 37.735 0.311 25636 215 1 . 1 1 46 46 ASN H H 46 8.704 8.704 8.134 0.570 25636 216 1 . 1 1 47 47 CYS N N 47 112.520 112.520 122.013 -9.493 25636 217 1 . 1 1 47 47 CYS HA H 47 4.397 4.397 4.625 -0.228 25636 218 1 . 1 1 47 47 CYS CA C 47 55.075 55.075 58.473 -3.398 25636 219 1 . 1 1 47 47 CYS CB C 47 36.199 36.199 28.799 7.400 25636 220 1 . 1 1 47 47 CYS H H 47 8.486 8.486 8.021 0.465 25636 221 1 . 1 1 48 48 LYS N N 48 116.117 116.117 124.069 -7.952 25636 222 1 . 1 1 48 48 LYS HA H 48 4.130 4.130 4.569 -0.439 25636 223 1 . 1 1 48 48 LYS CA C 48 56.865 56.865 54.934 1.931 25636 224 1 . 1 1 48 48 LYS CB C 48 32.180 32.180 34.494 -2.314 25636 225 1 . 1 1 48 48 LYS H H 48 7.970 7.970 8.396 -0.426 25636 226 1 . 1 1 49 49 VAL N N 49 126.872 126.872 119.891 6.981 25636 227 1 . 1 1 49 49 VAL HA H 49 3.632 3.632 4.130 -0.498 25636 228 1 . 1 1 49 49 VAL CA C 49 64.782 64.782 62.859 1.923 25636 229 1 . 1 1 49 49 VAL CB C 49 30.317 30.317 31.192 -0.875 25636 230 1 . 1 1 49 49 VAL H H 49 8.951 8.951 8.479 0.472 25636 231 1 . 1 1 50 50 ILE N N 50 132.487 132.487 126.477 6.010 25636 232 1 . 1 1 50 50 ILE HA H 50 4.135 4.135 4.418 -0.283 25636 233 1 . 1 1 50 50 ILE CA C 50 60.535 60.535 60.431 0.104 25636 234 1 . 1 1 50 50 ILE CB C 50 41.659 41.659 41.962 -0.303 25636 235 1 . 1 1 50 50 ILE H H 50 8.666 8.666 7.701 0.965 25636 236 1 . 1 1 51 51 LEU N N 51 125.179 125.179 124.003 1.176 25636 237 1 . 1 1 51 51 LEU HA H 51 5.250 5.250 5.340 -0.090 25636 238 1 . 1 1 51 51 LEU CA C 51 53.245 53.245 53.402 -0.157 25636 239 1 . 1 1 51 51 LEU CB C 51 41.146 41.146 44.438 -3.292 25636 240 1 . 1 1 51 51 LEU H H 51 8.789 8.789 8.213 0.576 25636 241 1 . 1 1 52 52 THR N N 52 115.511 115.511 114.817 0.694 25636 242 1 . 1 1 52 52 THR HA H 52 4.079 4.079 4.322 -0.243 25636 243 1 . 1 1 52 52 THR CA C 52 63.822 63.822 63.032 0.790 25636 244 1 . 1 1 52 52 THR CB C 52 68.335 68.335 68.819 -0.484 25636 245 1 . 1 1 52 52 THR H H 52 8.528 8.528 8.501 0.027 25636 246 1 . 1 1 53 53 ASN N N 53 116.941 116.941 119.601 -2.660 25636 247 1 . 1 1 53 53 ASN HA H 53 4.514 4.514 4.790 -0.276 25636 248 1 . 1 1 53 53 ASN CA C 53 52.740 52.740 52.189 0.552 25636 249 1 . 1 1 53 53 ASN CB C 53 37.314 37.314 37.465 -0.151 25636 250 1 . 1 1 53 53 ASN H H 53 8.149 8.149 7.965 0.184 25636 251 1 . 1 1 54 54 GLY N N 54 106.580 106.580 106.993 -0.413 25636 252 1 . 1 1 54 54 GLY CA C 54 45.735 45.735 45.900 -0.165 25636 253 1 . 1 1 54 54 GLY H H 54 7.949 7.949 8.441 -0.492 25636 254 1 . 1 1 55 55 LYS N N 55 120.679 120.679 118.833 1.846 25636 255 1 . 1 1 55 55 LYS HA H 55 4.251 4.251 4.580 -0.329 25636 256 1 . 1 1 55 55 LYS CA C 55 55.848 55.848 54.802 1.047 25636 257 1 . 1 1 55 55 LYS CB C 55 32.595 32.595 35.463 -2.868 25636 258 1 . 1 1 55 55 LYS H H 55 7.806 7.806 7.810 -0.004 25636 259 1 . 1 1 56 56 GLN N N 56 119.471 119.471 119.784 -0.313 25636 260 1 . 1 1 56 56 GLN HA H 56 4.114 4.114 4.507 -0.393 25636 261 1 . 1 1 56 56 GLN CA C 56 55.865 55.865 54.466 1.399 25636 262 1 . 1 1 56 56 GLN CB C 56 29.228 29.228 30.738 -1.510 25636 263 1 . 1 1 56 56 GLN H H 56 8.241 8.241 8.405 -0.164 25636 264 1 . 1 1 57 57 ALA N N 57 129.241 129.241 125.543 3.698 25636 265 1 . 1 1 57 57 ALA HA H 57 4.136 4.136 4.015 0.121 25636 266 1 . 1 1 57 57 ALA CA C 57 50.210 50.210 51.024 -0.814 25636 267 1 . 1 1 57 57 ALA CB C 57 18.056 18.056 17.504 0.552 25636 268 1 . 1 1 57 57 ALA H H 57 8.667 8.667 8.362 0.305 25636 269 1 . 1 1 58 58 PRO HA H 58 4.181 4.181 4.299 -0.118 25636 270 1 . 1 1 58 58 PRO CA C 58 62.162 62.162 61.836 0.326 25636 271 1 . 1 1 58 58 PRO CB C 58 31.226 31.226 31.866 -0.640 25636 272 1 . 1 1 59 59 ASP N N 59 120.839 120.839 117.137 3.702 25636 273 1 . 1 1 59 59 ASP HA H 59 4.151 4.151 4.494 -0.343 25636 274 1 . 1 1 59 59 ASP CA C 59 56.483 56.483 55.444 1.039 25636 275 1 . 1 1 59 59 ASP CB C 59 40.568 40.568 40.967 -0.399 25636 276 1 . 1 1 59 59 ASP H H 59 8.576 8.576 8.508 0.068 25636 277 1 . 1 1 60 60 TRP N N 60 114.095 114.095 117.145 -3.050 25636 278 1 . 1 1 60 60 TRP HA H 60 4.460 4.460 4.822 -0.362 25636 279 1 . 1 1 60 60 TRP CA C 60 54.579 54.579 55.130 -0.551 25636 280 1 . 1 1 60 60 TRP CB C 60 29.366 29.366 28.679 0.687 25636 281 1 . 1 1 60 60 TRP H H 60 6.701 6.701 7.245 -0.544 25636 282 1 . 1 1 61 61 LEU N N 61 123.142 123.142 121.366 1.776 25636 283 1 . 1 1 61 61 LEU HA H 61 4.743 4.743 4.266 0.477 25636 284 1 . 1 1 61 61 LEU CA C 61 54.839 54.839 53.106 1.733 25636 285 1 . 1 1 61 61 LEU CB C 61 42.083 42.083 43.240 -1.157 25636 286 1 . 1 1 61 61 LEU H H 61 6.541 6.541 6.937 -0.396 25636 287 1 . 1 1 62 62 ALA N N 62 131.106 131.106 125.682 5.424 25636 288 1 . 1 1 62 62 ALA HA H 62 4.644 4.644 4.497 0.147 25636 289 1 . 1 1 62 62 ALA CA C 62 50.478 50.478 51.114 -0.636 25636 290 1 . 1 1 62 62 ALA CB C 62 23.434 23.434 21.883 1.551 25636 291 1 . 1 1 62 62 ALA H H 62 8.993 8.993 7.677 1.316 25636 292 1 . 1 1 63 63 ALA N N 63 118.796 118.796 121.436 -2.640 25636 293 1 . 1 1 63 63 ALA HA H 63 5.633 5.633 4.854 0.779 25636 294 1 . 1 1 63 63 ALA CA C 63 51.143 51.143 52.025 -0.882 25636 295 1 . 1 1 63 63 ALA CB C 63 22.490 22.490 21.104 1.386 25636 296 1 . 1 1 63 63 ALA H H 63 8.139 8.139 8.273 -0.134 25636 297 1 . 1 1 64 64 GLU N N 64 116.715 116.715 123.469 -6.754 25636 298 1 . 1 1 64 64 GLU HA H 64 4.902 4.902 4.942 -0.040 25636 299 1 . 1 1 64 64 GLU CA C 64 53.009 53.009 53.216 -0.207 25636 300 1 . 1 1 64 64 GLU CB C 64 32.619 32.619 31.727 0.892 25636 301 1 . 1 1 64 64 GLU H H 64 8.563 8.563 8.172 0.391 25636 302 1 . 1 1 65 65 PRO HA H 65 5.486 5.486 4.529 0.957 25636 303 1 . 1 1 65 65 PRO CA C 65 62.878 62.878 63.047 -0.169 25636 304 1 . 1 1 65 65 PRO CB C 65 32.606 32.606 32.613 -0.007 25636 stop_ save_