data_17827 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17827 _Entry.PDB_ID 2LGX 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 17827 _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 9 9 ALA N N 2 124.336 124.336 123.694 0.642 17827 2 1 1 . 1 1 9 9 ALA HA H 2 4.210 4.210 4.519 -0.309 17827 3 1 1 . 1 1 9 9 ALA C C 2 177.598 177.598 176.367 1.231 17827 4 1 1 . 1 1 9 9 ALA CA C 2 52.440 52.440 51.721 0.719 17827 5 1 1 . 1 1 9 9 ALA CB C 2 19.030 19.030 18.872 0.159 17827 6 1 1 . 1 1 9 9 ALA H H 2 8.018 8.018 8.403 -0.385 17827 7 1 1 . 1 1 10 10 LEU N N 3 121.125 121.125 120.981 0.144 17827 8 1 1 . 1 1 10 10 LEU HA H 3 4.210 4.210 3.748 0.462 17827 9 1 1 . 1 1 10 10 LEU C C 3 177.094 177.094 176.598 0.496 17827 10 1 1 . 1 1 10 10 LEU CA C 3 55.320 55.320 57.129 -1.809 17827 11 1 1 . 1 1 10 10 LEU CB C 3 42.170 42.170 41.738 0.432 17827 12 1 1 . 1 1 10 10 LEU H H 3 8.057 8.057 8.366 -0.309 17827 13 1 1 . 1 1 11 11 ASP N N 4 119.766 119.766 117.105 2.661 17827 14 1 1 . 1 1 11 11 ASP HA H 4 4.475 4.475 4.576 -0.101 17827 15 1 1 . 1 1 11 11 ASP C C 4 176.509 176.509 177.593 -1.084 17827 16 1 1 . 1 1 11 11 ASP CA C 4 54.550 54.550 54.542 0.008 17827 17 1 1 . 1 1 11 11 ASP CB C 4 40.950 40.950 41.018 -0.068 17827 18 1 1 . 1 1 11 11 ASP H H 4 8.145 8.145 8.257 -0.112 17827 19 1 1 . 1 1 12 12 GLY N N 5 108.440 108.440 110.740 -2.300 17827 20 1 1 . 1 1 12 12 GLY C C 5 173.692 173.692 175.983 -2.291 17827 21 1 1 . 1 1 12 12 GLY CA C 5 45.310 45.310 46.567 -1.257 17827 22 1 1 . 1 1 12 12 GLY H H 5 8.110 8.110 8.560 -0.450 17827 23 1 1 . 1 1 13 13 ILE N N 6 119.766 119.766 122.568 -2.802 17827 24 1 1 . 1 1 13 13 ILE HA H 6 4.100 4.100 3.527 0.573 17827 25 1 1 . 1 1 13 13 ILE C C 6 175.525 175.525 177.063 -1.538 17827 26 1 1 . 1 1 13 13 ILE CA C 6 60.710 60.710 63.696 -2.986 17827 27 1 1 . 1 1 13 13 ILE CB C 6 38.430 38.430 37.454 0.976 17827 28 1 1 . 1 1 13 13 ILE H H 6 7.790 7.790 8.043 -0.253 17827 29 1 1 . 1 1 14 14 ARG N N 7 125.657 125.657 119.803 5.854 17827 30 1 1 . 1 1 14 14 ARG HA H 7 4.210 4.210 4.231 -0.021 17827 31 1 1 . 1 1 14 14 ARG C C 7 175.810 175.810 176.268 -0.458 17827 32 1 1 . 1 1 14 14 ARG CA C 7 55.640 55.640 57.435 -1.795 17827 33 1 1 . 1 1 14 14 ARG CB C 7 30.990 30.990 30.729 0.261 17827 34 1 1 . 1 1 14 14 ARG H H 7 8.410 8.410 8.032 0.378 17827 35 1 1 . 1 1 15 15 MET N N 8 123.598 123.598 115.155 8.443 17827 36 1 1 . 1 1 15 15 MET HA H 8 4.210 4.210 4.989 -0.779 17827 37 1 1 . 1 1 15 15 MET C C 8 174.950 174.950 174.556 0.394 17827 38 1 1 . 1 1 15 15 MET CA C 8 55.330 55.330 53.281 2.049 17827 39 1 1 . 1 1 15 15 MET CB C 8 31.730 31.730 31.918 -0.188 17827 40 1 1 . 1 1 15 15 MET H H 8 8.495 8.495 7.774 0.721 17827 41 1 1 . 1 1 16 16 PRO HA H 9 4.290 4.290 4.281 0.009 17827 42 1 1 . 1 1 16 16 PRO C C 9 176.228 176.228 176.508 -0.280 17827 43 1 1 . 1 1 16 16 PRO CA C 9 63.370 63.370 64.881 -1.511 17827 44 1 1 . 1 1 16 16 PRO CB C 9 31.820 31.820 30.976 0.844 17827 45 1 1 . 1 1 17 17 ASP N N 10 117.952 117.952 116.585 1.367 17827 46 1 1 . 1 1 17 17 ASP HA H 10 4.420 4.420 4.605 -0.185 17827 47 1 1 . 1 1 17 17 ASP C C 10 176.714 176.714 176.509 0.205 17827 48 1 1 . 1 1 17 17 ASP CA C 10 54.130 54.130 53.835 0.295 17827 49 1 1 . 1 1 17 17 ASP CB C 10 40.430 40.430 40.693 -0.263 17827 50 1 1 . 1 1 17 17 ASP H H 10 8.076 8.076 7.967 0.109 17827 51 1 1 . 1 1 18 18 GLY N N 11 108.663 108.663 105.707 2.956 17827 52 1 1 . 1 1 18 18 GLY C C 11 173.819 173.819 174.195 -0.376 17827 53 1 1 . 1 1 18 18 GLY CA C 11 45.300 45.300 45.232 0.068 17827 54 1 1 . 1 1 18 18 GLY H H 11 8.255 8.255 7.569 0.686 17827 55 1 1 . 1 1 19 19 CYS N N 12 118.179 118.179 118.915 -0.736 17827 56 1 1 . 1 1 19 19 CYS HA H 12 4.550 4.550 4.297 0.253 17827 57 1 1 . 1 1 19 19 CYS C C 12 174.073 174.073 174.646 -0.573 17827 58 1 1 . 1 1 19 19 CYS CA C 12 58.420 58.420 61.509 -3.089 17827 59 1 1 . 1 1 19 19 CYS CB C 12 28.400 28.400 28.694 -0.294 17827 60 1 1 . 1 1 19 19 CYS H H 12 7.850 7.850 8.128 -0.278 17827 61 1 1 . 1 1 20 20 TYR N N 13 120.897 120.897 120.179 0.718 17827 62 1 1 . 1 1 20 20 TYR HA H 13 4.550 4.550 4.418 0.132 17827 63 1 1 . 1 1 20 20 TYR C C 13 176.748 176.748 175.539 1.209 17827 64 1 1 . 1 1 20 20 TYR CA C 13 58.470 58.470 58.452 0.018 17827 65 1 1 . 1 1 20 20 TYR CB C 13 39.210 39.210 40.000 -0.790 17827 66 1 1 . 1 1 20 20 TYR H H 13 8.550 8.550 8.129 0.421 17827 67 1 1 . 1 1 21 21 ALA N N 14 124.750 124.750 124.330 0.420 17827 68 1 1 . 1 1 21 21 ALA HA H 14 4.190 4.190 4.029 0.161 17827 69 1 1 . 1 1 21 21 ALA C C 14 177.181 177.181 177.596 -0.415 17827 70 1 1 . 1 1 21 21 ALA CA C 14 53.530 53.530 53.478 0.052 17827 71 1 1 . 1 1 21 21 ALA CB C 14 18.630 18.630 19.096 -0.466 17827 72 1 1 . 1 1 21 21 ALA H H 14 8.615 8.615 7.115 1.500 17827 73 1 1 . 1 1 22 22 ASP N N 15 117.500 117.500 119.234 -1.734 17827 74 1 1 . 1 1 22 22 ASP HA H 15 4.480 4.480 4.586 -0.106 17827 75 1 1 . 1 1 22 22 ASP C C 15 176.708 176.708 177.445 -0.737 17827 76 1 1 . 1 1 22 22 ASP CA C 15 53.500 53.500 54.352 -0.852 17827 77 1 1 . 1 1 22 22 ASP CB C 15 40.730 40.730 40.965 -0.235 17827 78 1 1 . 1 1 22 22 ASP H H 15 7.960 7.960 8.400 -0.440 17827 79 1 1 . 1 1 23 23 GLY N N 16 108.891 108.891 106.471 2.420 17827 80 1 1 . 1 1 23 23 GLY C C 16 174.373 174.373 174.550 -0.177 17827 81 1 1 . 1 1 23 23 GLY CA C 16 45.370 45.370 46.810 -1.440 17827 82 1 1 . 1 1 23 23 GLY H H 16 8.344 8.344 8.789 -0.445 17827 83 1 1 . 1 1 24 24 THR N N 17 110.929 110.929 111.288 -0.359 17827 84 1 1 . 1 1 24 24 THR HA H 17 4.640 4.640 4.444 0.196 17827 85 1 1 . 1 1 24 24 THR C C 17 173.620 173.620 172.328 1.292 17827 86 1 1 . 1 1 24 24 THR CA C 17 60.540 60.540 60.267 0.273 17827 87 1 1 . 1 1 24 24 THR CB C 17 72.100 72.100 69.300 2.800 17827 88 1 1 . 1 1 24 24 THR H H 17 7.850 7.850 7.438 0.412 17827 89 1 1 . 1 1 25 25 TRP N N 18 117.728 117.728 118.492 -0.764 17827 90 1 1 . 1 1 25 25 TRP HA H 18 4.945 4.945 5.090 -0.145 17827 91 1 1 . 1 1 25 25 TRP C C 18 174.164 174.164 173.706 0.458 17827 92 1 1 . 1 1 25 25 TRP CA C 18 54.620 54.620 56.597 -1.977 17827 93 1 1 . 1 1 25 25 TRP CB C 18 30.650 30.650 29.961 0.689 17827 94 1 1 . 1 1 25 25 TRP H H 18 8.640 8.640 7.539 1.101 17827 95 1 1 . 1 1 26 26 GLU N N 19 117.728 117.728 118.613 -0.885 17827 96 1 1 . 1 1 26 26 GLU HA H 19 4.851 4.851 4.839 0.012 17827 97 1 1 . 1 1 26 26 GLU C C 19 174.786 174.786 174.559 0.227 17827 98 1 1 . 1 1 26 26 GLU CA C 19 55.710 55.710 54.776 0.934 17827 99 1 1 . 1 1 26 26 GLU CB C 19 31.500 31.500 32.458 -0.958 17827 100 1 1 . 1 1 26 26 GLU H H 19 8.744 8.744 8.499 0.245 17827 101 1 1 . 1 1 27 27 LEU N N 20 126.668 126.668 119.298 7.370 17827 102 1 1 . 1 1 27 27 LEU HA H 20 4.880 4.880 4.732 0.148 17827 103 1 1 . 1 1 27 27 LEU C C 20 175.123 175.123 175.302 -0.179 17827 104 1 1 . 1 1 27 27 LEU CA C 20 53.252 53.252 53.478 -0.226 17827 105 1 1 . 1 1 27 27 LEU CB C 20 45.280 45.280 46.672 -1.392 17827 106 1 1 . 1 1 27 27 LEU H H 20 8.980 8.980 8.780 0.200 17827 107 1 1 . 1 1 28 28 SER N N 21 121.804 121.804 116.840 4.964 17827 108 1 1 . 1 1 28 28 SER HA H 21 4.894 4.894 4.794 0.100 17827 109 1 1 . 1 1 28 28 SER C C 21 173.483 173.483 172.763 0.720 17827 110 1 1 . 1 1 28 28 SER CA C 21 57.880 57.880 57.062 0.818 17827 111 1 1 . 1 1 28 28 SER CB C 21 63.920 63.920 64.733 -0.813 17827 112 1 1 . 1 1 28 28 SER H H 21 8.785 8.785 8.485 0.300 17827 113 1 1 . 1 1 29 29 VAL N N 22 125.881 125.881 122.881 3.000 17827 114 1 1 . 1 1 29 29 VAL HA H 22 4.370 4.370 4.377 -0.007 17827 115 1 1 . 1 1 29 29 VAL C C 22 173.953 173.953 174.798 -0.845 17827 116 1 1 . 1 1 29 29 VAL CA C 22 60.440 60.440 59.988 0.452 17827 117 1 1 . 1 1 29 29 VAL CB C 22 34.350 34.350 35.772 -1.422 17827 118 1 1 . 1 1 29 29 VAL H H 22 8.865 8.865 8.470 0.395 17827 119 1 1 . 1 1 30 30 HIS N N 23 126.560 126.560 123.793 2.767 17827 120 1 1 . 1 1 30 30 HIS HA H 23 5.220 5.220 4.827 0.393 17827 121 1 1 . 1 1 30 30 HIS C C 23 174.596 174.596 173.935 0.661 17827 122 1 1 . 1 1 30 30 HIS CA C 23 55.250 55.250 55.499 -0.249 17827 123 1 1 . 1 1 30 30 HIS CB C 23 30.550 30.550 33.197 -2.647 17827 124 1 1 . 1 1 30 30 HIS H H 23 8.810 8.810 8.481 0.329 17827 125 1 1 . 1 1 31 31 VAL N N 24 130.587 130.587 128.548 2.039 17827 126 1 1 . 1 1 31 31 VAL HA H 24 5.230 5.230 4.468 0.762 17827 127 1 1 . 1 1 31 31 VAL C C 24 177.426 177.426 175.508 1.918 17827 128 1 1 . 1 1 31 31 VAL CA C 24 55.530 55.530 62.465 -6.935 17827 129 1 1 . 1 1 31 31 VAL CB C 24 31.040 31.040 31.148 -0.108 17827 130 1 1 . 1 1 31 31 VAL H H 24 9.043 9.043 8.680 0.363 17827 131 1 1 . 1 1 32 32 THR N N 25 122.484 122.484 119.981 2.503 17827 132 1 1 . 1 1 32 32 THR HA H 25 3.970 3.970 4.323 -0.353 17827 133 1 1 . 1 1 32 32 THR C C 25 177.437 177.437 175.255 2.182 17827 134 1 1 . 1 1 32 32 THR CA C 25 66.470 66.470 62.102 4.368 17827 135 1 1 . 1 1 32 32 THR CB C 25 68.220 68.220 70.181 -1.961 17827 136 1 1 . 1 1 32 32 THR H H 25 8.245 8.245 8.591 -0.346 17827 137 1 1 . 1 1 34 34 VAL N N 27 114.090 114.090 117.826 -3.736 17827 138 1 1 . 1 1 34 34 VAL HA H 27 4.500 4.500 4.090 0.410 17827 139 1 1 . 1 1 34 34 VAL CA C 27 54.220 54.220 62.785 -8.565 17827 140 1 1 . 1 1 34 34 VAL CB C 27 27.060 27.060 33.200 -6.140 17827 141 1 1 . 1 1 34 34 VAL H H 27 6.977 6.977 7.209 -0.232 17827 142 1 1 . 1 1 35 35 ASN N N 28 116.829 116.829 115.407 1.422 17827 143 1 1 . 1 1 35 35 ASN HA H 28 4.299 4.299 4.406 -0.107 17827 144 1 1 . 1 1 35 35 ASN CA C 28 53.650 53.650 54.167 -0.517 17827 145 1 1 . 1 1 35 35 ASN CB C 28 37.110 37.110 38.026 -0.916 17827 146 1 1 . 1 1 35 35 ASN H H 28 7.897 7.897 8.381 -0.484 17827 147 1 1 . 1 1 36 36 ARG N N 29 114.310 114.310 116.959 -2.649 17827 148 1 1 . 1 1 36 36 ARG HA H 29 4.700 4.700 4.690 0.010 17827 149 1 1 . 1 1 36 36 ARG C C 29 173.347 173.347 173.934 -0.587 17827 150 1 1 . 1 1 36 36 ARG CA C 29 54.900 54.900 54.755 0.145 17827 151 1 1 . 1 1 36 36 ARG CB C 29 34.700 34.700 32.362 2.338 17827 152 1 1 . 1 1 36 36 ARG H H 29 6.787 6.787 7.607 -0.820 17827 153 1 1 . 1 1 37 37 ASP N N 30 124.071 124.071 117.581 6.490 17827 154 1 1 . 1 1 37 37 ASP HA H 30 5.475 5.475 4.772 0.703 17827 155 1 1 . 1 1 37 37 ASP C C 30 175.354 175.354 174.744 0.610 17827 156 1 1 . 1 1 37 37 ASP CA C 30 53.660 53.660 53.354 0.306 17827 157 1 1 . 1 1 37 37 ASP CB C 30 42.260 42.260 42.645 -0.385 17827 158 1 1 . 1 1 37 37 ASP H H 30 8.760 8.760 8.419 0.341 17827 159 1 1 . 1 1 38 38 VAL N N 31 123.300 123.300 118.045 5.255 17827 160 1 1 . 1 1 38 38 VAL HA H 31 4.270 4.270 4.624 -0.354 17827 161 1 1 . 1 1 38 38 VAL C C 31 174.203 174.203 174.211 -0.008 17827 162 1 1 . 1 1 38 38 VAL CA C 31 60.700 60.700 60.294 0.407 17827 163 1 1 . 1 1 38 38 VAL CB C 31 34.620 34.620 36.195 -1.575 17827 164 1 1 . 1 1 38 38 VAL H H 31 9.187 9.187 7.920 1.267 17827 165 1 1 . 1 1 39 39 THR N N 32 119.766 119.766 113.234 6.532 17827 166 1 1 . 1 1 39 39 THR HA H 32 5.095 5.095 4.859 0.236 17827 167 1 1 . 1 1 39 39 THR C C 32 173.547 173.547 173.143 0.404 17827 168 1 1 . 1 1 39 39 THR CA C 32 60.550 60.550 60.478 0.072 17827 169 1 1 . 1 1 39 39 THR CB C 32 70.170 70.170 71.134 -0.964 17827 170 1 1 . 1 1 39 39 THR H H 32 8.360 8.360 8.159 0.201 17827 171 1 1 . 1 1 40 40 LEU N N 33 124.522 124.522 122.638 1.884 17827 172 1 1 . 1 1 40 40 LEU HA H 33 4.590 4.590 4.631 -0.041 17827 173 1 1 . 1 1 40 40 LEU C C 33 174.691 174.691 175.976 -1.285 17827 174 1 1 . 1 1 40 40 LEU CA C 33 52.580 52.580 53.819 -1.239 17827 175 1 1 . 1 1 40 40 LEU CB C 33 45.410 45.410 44.363 1.047 17827 176 1 1 . 1 1 40 40 LEU H H 33 8.750 8.750 8.152 0.598 17827 177 1 1 . 1 1 41 41 ARG N N 34 122.712 122.712 124.720 -2.008 17827 178 1 1 . 1 1 41 41 ARG HA H 34 4.680 4.680 4.677 0.003 17827 179 1 1 . 1 1 41 41 ARG C C 34 175.700 175.700 174.359 1.341 17827 180 1 1 . 1 1 41 41 ARG CA C 34 55.420 55.420 55.145 0.275 17827 181 1 1 . 1 1 41 41 ARG CB C 34 29.500 29.500 29.428 0.072 17827 182 1 1 . 1 1 41 41 ARG H H 34 8.345 8.345 8.713 -0.368 17827 183 1 1 . 1 1 42 42 VAL N N 35 117.728 117.728 117.666 0.062 17827 184 1 1 . 1 1 42 42 VAL HA H 35 4.465 4.465 4.483 -0.018 17827 185 1 1 . 1 1 42 42 VAL C C 35 173.184 173.184 173.747 -0.563 17827 186 1 1 . 1 1 42 42 VAL CA C 35 58.670 58.670 59.295 -0.625 17827 187 1 1 . 1 1 42 42 VAL CB C 35 36.050 36.050 35.390 0.660 17827 188 1 1 . 1 1 42 42 VAL H H 35 8.640 8.640 7.747 0.893 17827 189 1 1 . 1 1 43 43 THR N N 36 104.359 104.359 108.735 -4.376 17827 190 1 1 . 1 1 43 43 THR HA H 36 4.660 4.660 2.441 2.219 17827 191 1 1 . 1 1 43 43 THR C C 36 174.862 174.862 175.285 -0.423 17827 192 1 1 . 1 1 43 43 THR CA C 36 59.010 59.010 59.130 -0.120 17827 193 1 1 . 1 1 43 43 THR CB C 36 71.570 71.570 70.948 0.622 17827 194 1 1 . 1 1 43 43 THR H H 36 6.220 6.220 7.800 -1.580 17827 195 1 1 . 1 1 44 44 GLY N N 37 105.946 105.946 106.370 -0.424 17827 196 1 1 . 1 1 44 44 GLY C C 37 173.394 173.394 174.413 -1.019 17827 197 1 1 . 1 1 44 44 GLY CA C 37 46.830 46.830 46.839 -0.009 17827 198 1 1 . 1 1 44 44 GLY H H 37 9.160 9.160 8.239 0.921 17827 199 1 1 . 1 1 45 45 GLU N N 38 113.875 113.875 117.243 -3.368 17827 200 1 1 . 1 1 45 45 GLU HA H 38 4.290 4.290 4.208 0.082 17827 201 1 1 . 1 1 45 45 GLU C C 38 176.167 176.167 176.491 -0.324 17827 202 1 1 . 1 1 45 45 GLU CA C 38 55.500 55.500 55.851 -0.351 17827 203 1 1 . 1 1 45 45 GLU CB C 38 30.950 30.950 29.890 1.060 17827 204 1 1 . 1 1 45 45 GLU H H 38 7.500 7.500 7.196 0.304 17827 205 1 1 . 1 1 46 46 VAL N N 39 121.577 121.577 122.324 -0.747 17827 206 1 1 . 1 1 46 46 VAL HA H 39 3.820 3.820 3.846 -0.026 17827 207 1 1 . 1 1 46 46 VAL C C 39 174.651 174.651 175.182 -0.531 17827 208 1 1 . 1 1 46 46 VAL CA C 39 63.920 63.920 62.328 1.592 17827 209 1 1 . 1 1 46 46 VAL CB C 39 31.590 31.590 32.782 -1.192 17827 210 1 1 . 1 1 46 46 VAL H H 39 7.260 7.260 7.646 -0.386 17827 211 1 1 . 1 1 47 47 HIS N N 40 123.391 123.391 126.857 -3.466 17827 212 1 1 . 1 1 47 47 HIS HA H 40 5.212 5.212 4.569 0.643 17827 213 1 1 . 1 1 47 47 HIS C C 40 177.440 177.440 176.415 1.025 17827 214 1 1 . 1 1 47 47 HIS CA C 40 54.660 54.660 56.146 -1.486 17827 215 1 1 . 1 1 47 47 HIS CB C 40 30.910 30.910 30.521 0.389 17827 216 1 1 . 1 1 47 47 HIS H H 40 8.285 8.285 8.315 -0.030 17827 217 1 1 . 1 1 48 48 ILE N N 41 124.071 124.071 124.369 -0.298 17827 218 1 1 . 1 1 48 48 ILE HA H 41 3.530 3.530 3.798 -0.268 17827 219 1 1 . 1 1 48 48 ILE C C 41 178.941 178.941 177.707 1.234 17827 220 1 1 . 1 1 48 48 ILE CA C 41 62.330 62.330 65.400 -3.070 17827 221 1 1 . 1 1 48 48 ILE CB C 41 34.230 34.230 37.959 -3.729 17827 222 1 1 . 1 1 48 48 ILE H H 41 8.863 8.863 8.618 0.245 17827 223 1 1 . 1 1 49 49 GLY N N 42 106.853 106.853 104.287 2.566 17827 224 1 1 . 1 1 49 49 GLY C C 42 175.669 175.669 175.113 0.556 17827 225 1 1 . 1 1 49 49 GLY CA C 42 45.320 45.320 46.138 -0.818 17827 226 1 1 . 1 1 49 49 GLY H H 42 9.720 9.720 8.750 0.970 17827 227 1 1 . 1 1 50 50 GLY N N 43 109.571 109.571 108.425 1.146 17827 228 1 1 . 1 1 50 50 GLY C C 43 175.847 175.847 175.640 0.207 17827 229 1 1 . 1 1 50 50 GLY CA C 43 47.000 47.000 45.448 1.552 17827 230 1 1 . 1 1 50 50 GLY H H 43 6.950 6.950 8.213 -1.263 17827 231 1 1 . 1 1 51 51 VAL N N 44 123.163 123.163 124.748 -1.585 17827 232 1 1 . 1 1 51 51 VAL HA H 44 3.115 3.115 3.640 -0.525 17827 233 1 1 . 1 1 51 51 VAL C C 44 176.804 176.804 177.991 -1.187 17827 234 1 1 . 1 1 51 51 VAL CA C 44 66.660 66.660 66.967 -0.307 17827 235 1 1 . 1 1 51 51 VAL CB C 44 30.730 30.730 31.663 -0.933 17827 236 1 1 . 1 1 51 51 VAL H H 44 7.860 7.860 8.655 -0.795 17827 237 1 1 . 1 1 52 52 MET N N 45 115.913 115.913 117.261 -1.348 17827 238 1 1 . 1 1 52 52 MET HA H 45 3.410 3.410 4.122 -0.712 17827 239 1 1 . 1 1 52 52 MET C C 45 176.881 176.881 178.115 -1.234 17827 240 1 1 . 1 1 52 52 MET CA C 45 59.830 59.830 59.419 0.412 17827 241 1 1 . 1 1 52 52 MET CB C 45 32.310 32.310 31.881 0.429 17827 242 1 1 . 1 1 52 52 MET H H 45 7.940 7.940 7.754 0.186 17827 243 1 1 . 1 1 53 53 LEU N N 46 118.291 118.291 122.003 -3.712 17827 244 1 1 . 1 1 53 53 LEU HA H 46 3.940 3.940 4.101 -0.161 17827 245 1 1 . 1 1 53 53 LEU C C 46 179.178 179.178 179.282 -0.104 17827 246 1 1 . 1 1 53 53 LEU CA C 46 58.500 58.500 58.088 0.412 17827 247 1 1 . 1 1 53 53 LEU CB C 46 41.930 41.930 41.164 0.766 17827 248 1 1 . 1 1 53 53 LEU H H 46 7.550 7.550 7.740 -0.190 17827 249 1 1 . 1 1 54 54 LYS N N 47 118.142 118.142 119.097 -0.955 17827 250 1 1 . 1 1 54 54 LYS HA H 47 3.870 3.870 4.106 -0.236 17827 251 1 1 . 1 1 54 54 LYS C C 47 178.616 178.616 179.208 -0.592 17827 252 1 1 . 1 1 54 54 LYS CA C 47 57.980 57.980 59.287 -1.307 17827 253 1 1 . 1 1 54 54 LYS CB C 47 32.320 32.320 32.029 0.291 17827 254 1 1 . 1 1 54 54 LYS H H 47 7.665 7.665 8.687 -1.022 17827 255 1 1 . 1 1 55 55 LEU N N 48 119.385 119.385 120.241 -0.856 17827 256 1 1 . 1 1 55 55 LEU HA H 48 3.570 3.570 4.316 -0.746 17827 257 1 1 . 1 1 55 55 LEU C C 48 177.405 177.405 177.940 -0.535 17827 258 1 1 . 1 1 55 55 LEU CA C 48 57.790 57.790 57.755 0.035 17827 259 1 1 . 1 1 55 55 LEU CB C 48 41.590 41.590 42.117 -0.527 17827 260 1 1 . 1 1 55 55 LEU H H 48 7.975 7.975 7.557 0.418 17827 261 1 1 . 1 1 56 56 VAL N N 49 116.141 116.141 119.814 -3.673 17827 262 1 1 . 1 1 56 56 VAL HA H 49 2.990 2.990 3.727 -0.737 17827 263 1 1 . 1 1 56 56 VAL C C 49 178.564 178.564 178.232 0.332 17827 264 1 1 . 1 1 56 56 VAL CA C 49 66.310 66.310 67.049 -0.739 17827 265 1 1 . 1 1 56 56 VAL CB C 49 31.300 31.300 31.431 -0.131 17827 266 1 1 . 1 1 56 56 VAL H H 49 7.615 7.615 8.984 -1.369 17827 267 1 1 . 1 1 57 57 GLU N N 50 118.631 118.631 117.571 1.060 17827 268 1 1 . 1 1 57 57 GLU HA H 50 3.965 3.965 4.137 -0.172 17827 269 1 1 . 1 1 57 57 GLU C C 50 178.030 178.030 178.329 -0.299 17827 270 1 1 . 1 1 57 57 GLU CA C 50 58.500 58.500 58.863 -0.363 17827 271 1 1 . 1 1 57 57 GLU CB C 50 29.610 29.610 29.697 -0.087 17827 272 1 1 . 1 1 57 57 GLU H H 50 7.575 7.575 8.753 -1.178 17827 273 1 1 . 1 1 58 58 LYS N N 51 117.053 117.053 118.788 -1.735 17827 274 1 1 . 1 1 58 58 LYS HA H 51 4.130 4.130 4.090 0.040 17827 275 1 1 . 1 1 58 58 LYS C C 51 176.956 176.956 178.251 -1.295 17827 276 1 1 . 1 1 58 58 LYS CA C 51 56.660 56.660 58.585 -1.925 17827 277 1 1 . 1 1 58 58 LYS CB C 51 32.660 32.660 32.827 -0.167 17827 278 1 1 . 1 1 58 58 LYS H H 51 7.490 7.490 7.486 0.004 17827 279 1 1 . 1 1 59 59 LEU N N 52 119.460 119.460 119.590 -0.130 17827 280 1 1 . 1 1 59 59 LEU HA H 52 4.122 4.122 4.130 -0.008 17827 281 1 1 . 1 1 59 59 LEU C C 52 176.645 176.645 177.098 -0.453 17827 282 1 1 . 1 1 59 59 LEU CA C 52 56.660 56.660 56.505 0.155 17827 283 1 1 . 1 1 59 59 LEU CB C 52 42.700 42.700 42.495 0.205 17827 284 1 1 . 1 1 59 59 LEU H H 52 7.470 7.470 8.049 -0.579 17827 285 1 1 . 1 1 62 62 LYS C C 55 175.670 175.670 174.988 0.682 17827 286 1 1 . 1 1 63 63 LYS N N 56 122.430 122.430 123.132 -0.702 17827 287 1 1 . 1 1 63 63 LYS HA H 56 4.030 4.030 4.414 -0.384 17827 288 1 1 . 1 1 63 63 LYS C C 56 172.850 172.850 175.763 -2.913 17827 289 1 1 . 1 1 63 63 LYS CA C 56 54.530 54.530 55.084 -0.554 17827 290 1 1 . 1 1 63 63 LYS CB C 56 34.440 34.440 34.035 0.405 17827 291 1 1 . 1 1 63 63 LYS H H 56 7.245 7.245 8.062 -0.817 17827 292 1 1 . 1 1 64 64 ASP N N 57 118.867 118.867 122.764 -3.897 17827 293 1 1 . 1 1 64 64 ASP HA H 57 4.530 4.530 3.789 0.741 17827 294 1 1 . 1 1 64 64 ASP C C 57 176.710 176.710 176.085 0.625 17827 295 1 1 . 1 1 64 64 ASP CA C 57 52.500 52.500 53.851 -1.351 17827 296 1 1 . 1 1 64 64 ASP CB C 57 40.320 40.320 40.764 -0.444 17827 297 1 1 . 1 1 64 64 ASP H H 57 7.867 7.867 8.298 -0.431 17827 298 1 1 . 1 1 65 65 TRP N N 58 128.827 128.827 121.477 7.350 17827 299 1 1 . 1 1 65 65 TRP HA H 58 4.540 4.540 4.700 -0.160 17827 300 1 1 . 1 1 65 65 TRP C C 58 178.390 178.390 177.954 0.436 17827 301 1 1 . 1 1 65 65 TRP CA C 58 52.860 52.860 59.294 -6.434 17827 302 1 1 . 1 1 65 65 TRP CB C 58 29.420 29.420 28.853 0.567 17827 303 1 1 . 1 1 65 65 TRP H H 58 8.790 8.790 7.983 0.807 17827 304 1 1 . 1 1 66 66 SER N N 59 117.724 117.724 114.441 3.283 17827 305 1 1 . 1 1 66 66 SER HA H 59 4.143 4.143 4.503 -0.360 17827 306 1 1 . 1 1 66 66 SER C C 59 174.471 174.471 174.954 -0.483 17827 307 1 1 . 1 1 66 66 SER CA C 59 62.350 62.350 60.279 2.071 17827 308 1 1 . 1 1 66 66 SER CB C 59 63.110 63.110 63.138 -0.028 17827 309 1 1 . 1 1 66 66 SER H H 59 8.637 8.637 8.233 0.404 17827 310 1 1 . 1 1 67 67 ASP N N 60 121.042 121.042 120.294 0.748 17827 311 1 1 . 1 1 67 67 ASP C C 60 176.206 176.206 176.482 -0.276 17827 312 1 1 . 1 1 67 67 ASP CB C 60 42.560 42.560 40.940 1.620 17827 313 1 1 . 1 1 67 67 ASP H H 60 8.895 8.895 8.413 0.482 17827 314 1 1 . 1 1 68 68 HIS N N 61 121.519 121.519 116.635 4.884 17827 315 1 1 . 1 1 68 68 HIS HA H 61 4.490 4.490 4.656 -0.166 17827 316 1 1 . 1 1 68 68 HIS C C 61 174.546 174.546 174.265 0.281 17827 317 1 1 . 1 1 68 68 HIS CA C 61 57.940 57.940 56.502 1.438 17827 318 1 1 . 1 1 68 68 HIS CB C 61 39.410 39.410 31.232 8.178 17827 319 1 1 . 1 1 68 68 HIS H H 61 7.958 7.958 7.465 0.493 17827 320 1 1 . 1 1 69 69 ALA N N 62 122.256 122.256 118.936 3.320 17827 321 1 1 . 1 1 69 69 ALA C C 62 175.294 175.294 175.234 0.060 17827 322 1 1 . 1 1 69 69 ALA CB C 62 22.470 22.470 22.958 -0.488 17827 323 1 1 . 1 1 69 69 ALA H H 62 8.575 8.575 9.374 -0.799 17827 324 1 1 . 1 1 70 70 LEU N N 63 118.904 118.904 120.665 -1.761 17827 325 1 1 . 1 1 70 70 LEU HA H 63 5.654 5.654 5.063 0.591 17827 326 1 1 . 1 1 70 70 LEU C C 63 174.445 174.445 176.645 -2.200 17827 327 1 1 . 1 1 70 70 LEU CA C 63 53.930 53.930 53.291 0.639 17827 328 1 1 . 1 1 70 70 LEU CB C 63 44.300 44.300 41.786 2.514 17827 329 1 1 . 1 1 70 70 LEU H H 63 9.150 9.150 8.919 0.231 17827 330 1 1 . 1 1 71 71 TRP N N 64 125.367 125.367 127.194 -1.827 17827 331 1 1 . 1 1 71 71 TRP C C 64 174.010 174.010 175.593 -1.583 17827 332 1 1 . 1 1 71 71 TRP CB C 64 32.210 32.210 30.692 1.518 17827 333 1 1 . 1 1 71 71 TRP H H 64 9.590 9.590 8.553 1.037 17827 334 1 1 . 1 1 72 72 TRP N N 65 129.982 129.982 128.453 1.529 17827 335 1 1 . 1 1 72 72 TRP HA H 65 4.980 4.980 4.724 0.256 17827 336 1 1 . 1 1 72 72 TRP C C 65 174.335 174.335 176.302 -1.967 17827 337 1 1 . 1 1 72 72 TRP CA C 65 51.440 51.440 53.830 -2.390 17827 338 1 1 . 1 1 72 72 TRP CB C 65 30.490 30.490 30.071 0.419 17827 339 1 1 . 1 1 72 72 TRP H H 65 8.277 8.277 8.456 -0.179 17827 340 1 1 . 1 1 73 73 GLU N N 66 129.112 129.112 128.319 0.793 17827 341 1 1 . 1 1 73 73 GLU HA H 66 3.300 3.300 3.684 -0.384 17827 342 1 1 . 1 1 73 73 GLU C C 66 178.595 178.595 177.953 0.642 17827 343 1 1 . 1 1 73 73 GLU CA C 66 59.920 59.920 59.894 0.026 17827 344 1 1 . 1 1 73 73 GLU CB C 66 29.060 29.060 29.125 -0.065 17827 345 1 1 . 1 1 73 73 GLU H H 66 8.969 8.969 8.535 0.434 17827 346 1 1 . 1 1 74 74 LYS N N 67 117.492 117.492 118.207 -0.715 17827 347 1 1 . 1 1 74 74 LYS HA H 67 3.702 3.702 3.687 0.015 17827 348 1 1 . 1 1 74 74 LYS C C 67 176.361 176.361 177.359 -0.998 17827 349 1 1 . 1 1 74 74 LYS CA C 67 58.660 58.660 58.493 0.167 17827 350 1 1 . 1 1 74 74 LYS CB C 67 32.020 32.020 31.282 0.738 17827 351 1 1 . 1 1 74 74 LYS H H 67 7.860 7.860 7.959 -0.099 17827 352 1 1 . 1 1 75 75 LYS N N 68 121.233 121.233 114.166 7.067 17827 353 1 1 . 1 1 75 75 LYS HA H 68 3.935 3.935 4.134 -0.199 17827 354 1 1 . 1 1 75 75 LYS C C 68 174.183 174.183 175.235 -1.052 17827 355 1 1 . 1 1 75 75 LYS CA C 68 53.400 53.400 55.090 -1.690 17827 356 1 1 . 1 1 75 75 LYS CB C 68 32.200 32.200 32.814 -0.614 17827 357 1 1 . 1 1 75 75 LYS H H 68 7.500 7.500 6.896 0.604 17827 358 1 1 . 1 1 76 76 ARG N N 69 121.125 121.125 115.895 5.230 17827 359 1 1 . 1 1 76 76 ARG HA H 69 2.890 2.890 3.012 -0.122 17827 360 1 1 . 1 1 76 76 ARG C C 69 173.984 173.984 173.925 0.059 17827 361 1 1 . 1 1 76 76 ARG CA C 69 56.316 56.316 56.244 0.072 17827 362 1 1 . 1 1 76 76 ARG CB C 69 27.090 27.090 26.285 0.805 17827 363 1 1 . 1 1 76 76 ARG H H 69 7.500 7.500 8.077 -0.577 17827 364 1 1 . 1 1 77 77 THR N N 70 110.478 110.478 109.715 0.763 17827 365 1 1 . 1 1 77 77 THR HA H 70 4.650 4.650 2.901 1.749 17827 366 1 1 . 1 1 77 77 THR C C 70 171.846 171.846 172.395 -0.549 17827 367 1 1 . 1 1 77 77 THR CA C 70 61.630 61.630 59.388 2.242 17827 368 1 1 . 1 1 77 77 THR CB C 70 72.210 72.210 70.546 1.664 17827 369 1 1 . 1 1 77 77 THR H H 70 6.280 6.280 6.829 -0.549 17827 370 1 1 . 1 1 78 78 TRP N N 71 127.244 127.244 119.824 7.420 17827 371 1 1 . 1 1 78 78 TRP HA H 71 4.750 4.750 5.683 -0.933 17827 372 1 1 . 1 1 78 78 TRP C C 71 177.303 177.303 175.684 1.619 17827 373 1 1 . 1 1 78 78 TRP CA C 71 56.240 56.240 55.641 0.599 17827 374 1 1 . 1 1 78 78 TRP CB C 71 30.500 30.500 33.179 -2.679 17827 375 1 1 . 1 1 78 78 TRP H H 71 8.795 8.795 8.255 0.540 17827 376 1 1 . 1 1 79 79 LEU N N 72 125.202 125.202 122.507 2.695 17827 377 1 1 . 1 1 79 79 LEU HA H 72 4.500 4.500 4.836 -0.336 17827 378 1 1 . 1 1 79 79 LEU C C 72 175.667 175.667 176.433 -0.766 17827 379 1 1 . 1 1 79 79 LEU CA C 72 52.510 52.510 54.283 -1.773 17827 380 1 1 . 1 1 79 79 LEU CB C 72 38.240 38.240 42.009 -3.769 17827 381 1 1 . 1 1 79 79 LEU H H 72 9.175 9.175 8.416 0.759 17827 382 1 1 . 1 1 80 80 LEU N N 73 119.170 119.170 124.082 -4.912 17827 383 1 1 . 1 1 80 80 LEU HA H 73 4.380 4.380 4.610 -0.230 17827 384 1 1 . 1 1 80 80 LEU C C 73 178.139 178.139 176.710 1.429 17827 385 1 1 . 1 1 80 80 LEU CA C 73 54.700 54.700 55.214 -0.514 17827 386 1 1 . 1 1 80 80 LEU CB C 73 42.170 42.170 42.548 -0.378 17827 387 1 1 . 1 1 80 80 LEU H H 73 7.280 7.280 8.715 -1.435 17827 388 1 1 . 1 1 81 81 LYS N N 74 119.766 119.766 118.471 1.295 17827 389 1 1 . 1 1 81 81 LYS HA H 74 4.435 4.435 4.350 0.085 17827 390 1 1 . 1 1 81 81 LYS C C 74 176.601 176.601 177.621 -1.020 17827 391 1 1 . 1 1 81 81 LYS CA C 74 54.660 54.660 56.656 -1.996 17827 392 1 1 . 1 1 81 81 LYS CB C 74 28.540 28.540 33.380 -4.840 17827 393 1 1 . 1 1 81 81 LYS H H 74 7.865 7.865 7.918 -0.053 17827 394 1 1 . 1 1 82 82 THR N N 75 115.636 115.636 114.693 0.943 17827 395 1 1 . 1 1 82 82 THR HA H 75 3.800 3.800 4.373 -0.573 17827 396 1 1 . 1 1 82 82 THR C C 75 174.806 174.806 175.641 -0.835 17827 397 1 1 . 1 1 82 82 THR CA C 75 64.650 64.650 64.248 0.402 17827 398 1 1 . 1 1 82 82 THR CB C 75 68.260 68.260 68.727 -0.467 17827 399 1 1 . 1 1 82 82 THR H H 75 7.910 7.910 8.756 -0.846 17827 400 1 1 . 1 1 83 83 HIS N N 76 116.767 116.767 118.694 -1.927 17827 401 1 1 . 1 1 83 83 HIS C C 76 176.370 176.370 174.585 1.785 17827 402 1 1 . 1 1 83 83 HIS CB C 76 30.210 30.210 29.857 0.353 17827 403 1 1 . 1 1 83 83 HIS H H 76 8.965 8.965 8.494 0.471 17827 404 1 1 . 1 1 84 84 TRP N N 77 123.905 123.905 119.641 4.264 17827 405 1 1 . 1 1 84 84 TRP C C 77 175.584 175.584 175.660 -0.076 17827 406 1 1 . 1 1 84 84 TRP CB C 77 30.390 30.390 29.281 1.109 17827 407 1 1 . 1 1 84 84 TRP H H 77 7.635 7.635 7.559 0.076 17827 408 1 1 . 1 1 85 85 THR N N 78 108.440 108.440 114.348 -5.908 17827 409 1 1 . 1 1 85 85 THR HA H 78 4.900 4.900 4.235 0.665 17827 410 1 1 . 1 1 85 85 THR C C 78 175.691 175.691 175.897 -0.206 17827 411 1 1 . 1 1 85 85 THR CA C 78 59.500 59.500 63.554 -4.054 17827 412 1 1 . 1 1 85 85 THR CB C 78 70.600 70.600 69.587 1.013 17827 413 1 1 . 1 1 85 85 THR H H 78 7.030 7.030 7.719 -0.689 17827 414 1 1 . 1 1 86 86 LEU N N 79 119.766 119.766 121.157 -1.391 17827 415 1 1 . 1 1 86 86 LEU HA H 79 4.040 4.040 3.987 0.053 17827 416 1 1 . 1 1 86 86 LEU C C 79 179.734 179.734 179.194 0.540 17827 417 1 1 . 1 1 86 86 LEU CA C 79 58.750 58.750 59.200 -0.450 17827 418 1 1 . 1 1 86 86 LEU CB C 79 40.450 40.450 40.802 -0.352 17827 419 1 1 . 1 1 86 86 LEU H H 79 8.045 8.045 8.679 -0.634 17827 420 1 1 . 1 1 87 87 ASP N N 80 118.407 118.407 118.943 -0.536 17827 421 1 1 . 1 1 87 87 ASP HA H 80 4.440 4.440 4.391 0.049 17827 422 1 1 . 1 1 87 87 ASP C C 80 179.152 179.152 178.779 0.373 17827 423 1 1 . 1 1 87 87 ASP CA C 80 57.320 57.320 56.998 0.322 17827 424 1 1 . 1 1 87 87 ASP CB C 80 40.320 40.320 40.577 -0.257 17827 425 1 1 . 1 1 87 87 ASP H H 80 8.935 8.935 8.673 0.262 17827 426 1 1 . 1 1 88 88 LYS N N 81 123.300 123.300 119.824 3.476 17827 427 1 1 . 1 1 88 88 LYS HA H 81 3.700 3.700 3.905 -0.205 17827 428 1 1 . 1 1 88 88 LYS C C 81 178.721 178.721 178.383 0.338 17827 429 1 1 . 1 1 88 88 LYS CA C 81 59.020 59.020 59.104 -0.084 17827 430 1 1 . 1 1 88 88 LYS CB C 81 31.640 31.640 32.007 -0.367 17827 431 1 1 . 1 1 88 88 LYS H H 81 8.055 8.055 8.051 0.004 17827 432 1 1 . 1 1 89 89 TYR N N 82 115.690 115.690 116.601 -0.911 17827 433 1 1 . 1 1 89 89 TYR HA H 82 4.580 4.580 4.724 -0.144 17827 434 1 1 . 1 1 89 89 TYR C C 82 176.164 176.164 175.855 0.309 17827 435 1 1 . 1 1 89 89 TYR CA C 82 61.750 61.750 60.127 1.623 17827 436 1 1 . 1 1 89 89 TYR CB C 82 40.750 40.750 39.267 1.483 17827 437 1 1 . 1 1 89 89 TYR H H 82 7.730 7.730 7.866 -0.136 17827 438 1 1 . 1 1 90 90 GLY N N 83 108.212 108.212 106.444 1.768 17827 439 1 1 . 1 1 90 90 GLY C C 83 174.555 174.555 174.560 -0.005 17827 440 1 1 . 1 1 90 90 GLY CA C 83 45.510 45.510 44.963 0.547 17827 441 1 1 . 1 1 90 90 GLY H H 83 8.030 8.030 8.016 0.014 17827 442 1 1 . 1 1 91 91 ILE N N 84 122.960 122.960 120.612 2.348 17827 443 1 1 . 1 1 91 91 ILE HA H 84 3.370 3.370 4.164 -0.794 17827 444 1 1 . 1 1 91 91 ILE C C 84 173.611 173.611 175.071 -1.460 17827 445 1 1 . 1 1 91 91 ILE CA C 84 61.700 61.700 61.436 0.264 17827 446 1 1 . 1 1 91 91 ILE CB C 84 37.610 37.610 39.057 -1.447 17827 447 1 1 . 1 1 91 91 ILE H H 84 7.850 7.850 7.904 -0.054 17827 448 1 1 . 1 1 92 92 GLN N N 85 125.429 125.429 123.661 1.768 17827 449 1 1 . 1 1 92 92 GLN HA H 85 3.880 3.880 3.884 -0.004 17827 450 1 1 . 1 1 92 92 GLN C C 85 174.756 174.756 174.930 -0.174 17827 451 1 1 . 1 1 92 92 GLN CA C 85 53.720 53.720 54.998 -1.278 17827 452 1 1 . 1 1 92 92 GLN CB C 85 31.150 31.150 30.965 0.185 17827 453 1 1 . 1 1 92 92 GLN H H 85 7.700 7.700 8.312 -0.612 17827 454 1 1 . 1 1 93 93 ALA N N 86 118.217 118.217 121.285 -3.068 17827 455 1 1 . 1 1 93 93 ALA HA H 86 3.800 3.800 4.119 -0.319 17827 456 1 1 . 1 1 93 93 ALA C C 86 177.201 177.201 177.284 -0.083 17827 457 1 1 . 1 1 93 93 ALA CA C 86 54.080 54.080 53.066 1.014 17827 458 1 1 . 1 1 93 93 ALA CB C 86 18.410 18.410 18.694 -0.284 17827 459 1 1 . 1 1 93 93 ALA H H 86 6.886 6.886 8.145 -1.259 17827 460 1 1 . 1 1 94 94 ASP N N 87 113.647 113.647 116.921 -3.274 17827 461 1 1 . 1 1 94 94 ASP HA H 87 4.420 4.420 4.546 -0.126 17827 462 1 1 . 1 1 94 94 ASP C C 87 176.218 176.218 175.133 1.085 17827 463 1 1 . 1 1 94 94 ASP CA C 87 54.060 54.060 53.610 0.450 17827 464 1 1 . 1 1 94 94 ASP CB C 87 39.600 39.600 40.759 -1.159 17827 465 1 1 . 1 1 94 94 ASP H H 87 8.223 8.223 8.087 0.136 17827 466 1 1 . 1 1 95 95 ALA N N 88 124.145 124.145 122.697 1.448 17827 467 1 1 . 1 1 95 95 ALA HA H 88 4.306 4.306 4.526 -0.220 17827 468 1 1 . 1 1 95 95 ALA C C 88 176.630 176.630 176.560 0.070 17827 469 1 1 . 1 1 95 95 ALA CA C 88 53.320 53.320 51.662 1.658 17827 470 1 1 . 1 1 95 95 ALA CB C 88 20.020 20.020 19.549 0.471 17827 471 1 1 . 1 1 95 95 ALA H H 88 7.941 7.941 7.101 0.840 17827 472 1 1 . 1 1 96 96 LYS N N 89 120.897 120.897 126.160 -5.263 17827 473 1 1 . 1 1 96 96 LYS HA H 89 4.826 4.826 4.666 0.160 17827 474 1 1 . 1 1 96 96 LYS C C 89 176.161 176.161 176.120 0.041 17827 475 1 1 . 1 1 96 96 LYS CA C 89 54.736 54.736 55.206 -0.470 17827 476 1 1 . 1 1 96 96 LYS CB C 89 32.390 32.390 32.530 -0.140 17827 477 1 1 . 1 1 96 96 LYS H H 89 8.500 8.500 8.533 -0.033 17827 478 1 1 . 1 1 97 97 LEU N N 90 122.960 122.960 124.260 -1.300 17827 479 1 1 . 1 1 97 97 LEU HA H 90 5.075 5.075 4.422 0.653 17827 480 1 1 . 1 1 97 97 LEU C C 90 176.394 176.394 177.146 -0.752 17827 481 1 1 . 1 1 97 97 LEU CA C 90 53.060 53.060 54.452 -1.392 17827 482 1 1 . 1 1 97 97 LEU CB C 90 44.850 44.850 43.065 1.785 17827 483 1 1 . 1 1 97 97 LEU H H 90 8.566 8.566 8.844 -0.278 17827 484 1 1 . 1 1 98 98 GLN N N 91 119.538 119.538 115.948 3.590 17827 485 1 1 . 1 1 98 98 GLN HA H 91 5.710 5.710 4.880 0.830 17827 486 1 1 . 1 1 98 98 GLN C C 91 174.144 174.144 174.579 -0.435 17827 487 1 1 . 1 1 98 98 GLN CA C 91 54.360 54.360 54.716 -0.356 17827 488 1 1 . 1 1 98 98 GLN CB C 91 32.290 32.290 32.965 -0.674 17827 489 1 1 . 1 1 98 98 GLN H H 91 9.060 9.060 8.107 0.953 17827 490 1 1 . 1 1 99 99 PHE N N 92 125.674 125.674 120.443 5.231 17827 491 1 1 . 1 1 99 99 PHE HA H 92 5.700 5.700 5.329 0.371 17827 492 1 1 . 1 1 99 99 PHE C C 92 174.537 174.537 174.238 0.299 17827 493 1 1 . 1 1 99 99 PHE CA C 92 54.190 54.190 55.898 -1.708 17827 494 1 1 . 1 1 99 99 PHE CB C 92 41.080 41.080 43.674 -2.594 17827 495 1 1 . 1 1 99 99 PHE H H 92 9.290 9.290 9.728 -0.438 17827 496 1 1 . 1 1 100 100 THR N N 93 124.543 124.543 117.970 6.573 17827 497 1 1 . 1 1 100 100 THR HA H 93 5.100 5.100 4.832 0.268 17827 498 1 1 . 1 1 100 100 THR C C 93 180.164 180.164 171.955 8.209 17827 499 1 1 . 1 1 100 100 THR CA C 93 58.830 58.830 58.899 -0.069 17827 500 1 1 . 1 1 100 100 THR CB C 93 73.610 73.610 70.855 2.755 17827 501 1 1 . 1 1 100 100 THR H H 93 8.945 8.945 9.794 -0.849 17827 502 1 2 . 1 1 9 9 ALA N N 2 124.336 124.336 123.468 0.868 17827 503 1 2 . 1 1 9 9 ALA HA H 2 4.210 4.210 4.537 -0.327 17827 504 1 2 . 1 1 9 9 ALA C C 2 177.598 177.598 176.029 1.569 17827 505 1 2 . 1 1 9 9 ALA CA C 2 52.440 52.440 51.722 0.718 17827 506 1 2 . 1 1 9 9 ALA CB C 2 19.030 19.030 19.314 -0.284 17827 507 1 2 . 1 1 9 9 ALA H H 2 8.018 8.018 8.136 -0.118 17827 508 1 2 . 1 1 10 10 LEU N N 3 121.125 121.125 123.099 -1.974 17827 509 1 2 . 1 1 10 10 LEU HA H 3 4.210 4.210 4.114 0.096 17827 510 1 2 . 1 1 10 10 LEU C C 3 177.094 177.094 177.696 -0.602 17827 511 1 2 . 1 1 10 10 LEU CA C 3 55.320 55.320 56.601 -1.281 17827 512 1 2 . 1 1 10 10 LEU CB C 3 42.170 42.170 42.174 -0.004 17827 513 1 2 . 1 1 10 10 LEU H H 3 8.057 8.057 8.325 -0.268 17827 514 1 2 . 1 1 11 11 ASP N N 4 119.766 119.766 115.385 4.381 17827 515 1 2 . 1 1 11 11 ASP HA H 4 4.475 4.475 4.291 0.184 17827 516 1 2 . 1 1 11 11 ASP C C 4 176.509 176.509 176.449 0.060 17827 517 1 2 . 1 1 11 11 ASP CA C 4 54.550 54.550 55.264 -0.714 17827 518 1 2 . 1 1 11 11 ASP CB C 4 40.950 40.950 40.643 0.307 17827 519 1 2 . 1 1 11 11 ASP H H 4 8.145 8.145 8.405 -0.260 17827 520 1 2 . 1 1 12 12 GLY N N 5 108.440 108.440 104.917 3.523 17827 521 1 2 . 1 1 12 12 GLY C C 5 173.692 173.692 175.538 -1.846 17827 522 1 2 . 1 1 12 12 GLY CA C 5 45.310 45.310 45.086 0.224 17827 523 1 2 . 1 1 12 12 GLY H H 5 8.110 8.110 7.914 0.196 17827 524 1 2 . 1 1 13 13 ILE N N 6 119.766 119.766 122.676 -2.910 17827 525 1 2 . 1 1 13 13 ILE HA H 6 4.100 4.100 3.521 0.579 17827 526 1 2 . 1 1 13 13 ILE C C 6 175.525 175.525 177.107 -1.582 17827 527 1 2 . 1 1 13 13 ILE CA C 6 60.710 60.710 64.032 -3.322 17827 528 1 2 . 1 1 13 13 ILE CB C 6 38.430 38.430 37.304 1.126 17827 529 1 2 . 1 1 13 13 ILE H H 6 7.790 7.790 7.934 -0.144 17827 530 1 2 . 1 1 14 14 ARG N N 7 125.657 125.657 119.672 5.985 17827 531 1 2 . 1 1 14 14 ARG HA H 7 4.210 4.210 4.130 0.080 17827 532 1 2 . 1 1 14 14 ARG C C 7 175.810 175.810 176.799 -0.989 17827 533 1 2 . 1 1 14 14 ARG CA C 7 55.640 55.640 57.979 -2.339 17827 534 1 2 . 1 1 14 14 ARG CB C 7 30.990 30.990 30.221 0.769 17827 535 1 2 . 1 1 14 14 ARG H H 7 8.410 8.410 7.707 0.703 17827 536 1 2 . 1 1 15 15 MET N N 8 123.598 123.598 115.375 8.223 17827 537 1 2 . 1 1 15 15 MET HA H 8 4.210 4.210 5.002 -0.791 17827 538 1 2 . 1 1 15 15 MET C C 8 174.950 174.950 174.384 0.566 17827 539 1 2 . 1 1 15 15 MET CA C 8 55.330 55.330 53.938 1.392 17827 540 1 2 . 1 1 15 15 MET CB C 8 31.730 31.730 32.843 -1.113 17827 541 1 2 . 1 1 15 15 MET H H 8 8.495 8.495 7.826 0.669 17827 542 1 2 . 1 1 16 16 PRO HA H 9 4.290 4.290 4.315 -0.025 17827 543 1 2 . 1 1 16 16 PRO C C 9 176.228 176.228 176.589 -0.361 17827 544 1 2 . 1 1 16 16 PRO CA C 9 63.370 63.370 64.838 -1.468 17827 545 1 2 . 1 1 16 16 PRO CB C 9 31.820 31.820 30.730 1.091 17827 546 1 2 . 1 1 17 17 ASP N N 10 117.952 117.952 116.931 1.021 17827 547 1 2 . 1 1 17 17 ASP HA H 10 4.420 4.420 4.603 -0.183 17827 548 1 2 . 1 1 17 17 ASP C C 10 176.714 176.714 176.591 0.123 17827 549 1 2 . 1 1 17 17 ASP CA C 10 54.130 54.130 54.617 -0.487 17827 550 1 2 . 1 1 17 17 ASP CB C 10 40.430 40.430 39.953 0.477 17827 551 1 2 . 1 1 17 17 ASP H H 10 8.076 8.076 7.871 0.205 17827 552 1 2 . 1 1 18 18 GLY N N 11 108.663 108.663 105.598 3.065 17827 553 1 2 . 1 1 18 18 GLY C C 11 173.819 173.819 174.683 -0.864 17827 554 1 2 . 1 1 18 18 GLY CA C 11 45.300 45.300 45.125 0.175 17827 555 1 2 . 1 1 18 18 GLY H H 11 8.255 8.255 7.490 0.765 17827 556 1 2 . 1 1 19 19 CYS N N 12 118.179 118.179 118.833 -0.654 17827 557 1 2 . 1 1 19 19 CYS HA H 12 4.550 4.550 4.301 0.249 17827 558 1 2 . 1 1 19 19 CYS C C 12 174.073 174.073 174.556 -0.483 17827 559 1 2 . 1 1 19 19 CYS CA C 12 58.420 58.420 61.788 -3.368 17827 560 1 2 . 1 1 19 19 CYS CB C 12 28.400 28.400 28.590 -0.190 17827 561 1 2 . 1 1 19 19 CYS H H 12 7.850 7.850 8.272 -0.422 17827 562 1 2 . 1 1 20 20 TYR N N 13 120.897 120.897 118.714 2.183 17827 563 1 2 . 1 1 20 20 TYR HA H 13 4.550 4.550 4.555 -0.005 17827 564 1 2 . 1 1 20 20 TYR C C 13 176.748 176.748 174.674 2.074 17827 565 1 2 . 1 1 20 20 TYR CA C 13 58.470 58.470 57.290 1.180 17827 566 1 2 . 1 1 20 20 TYR CB C 13 39.210 39.210 37.959 1.252 17827 567 1 2 . 1 1 20 20 TYR H H 13 8.550 8.550 8.067 0.483 17827 568 1 2 . 1 1 21 21 ALA N N 14 124.750 124.750 124.214 0.536 17827 569 1 2 . 1 1 21 21 ALA HA H 14 4.190 4.190 3.819 0.371 17827 570 1 2 . 1 1 21 21 ALA C C 14 177.181 177.181 177.002 0.179 17827 571 1 2 . 1 1 21 21 ALA CA C 14 53.530 53.530 53.425 0.105 17827 572 1 2 . 1 1 21 21 ALA CB C 14 18.630 18.630 18.130 0.500 17827 573 1 2 . 1 1 21 21 ALA H H 14 8.615 8.615 8.122 0.493 17827 574 1 2 . 1 1 22 22 ASP N N 15 117.500 117.500 119.898 -2.398 17827 575 1 2 . 1 1 22 22 ASP HA H 15 4.480 4.480 4.271 0.209 17827 576 1 2 . 1 1 22 22 ASP C C 15 176.708 176.708 177.052 -0.344 17827 577 1 2 . 1 1 22 22 ASP CA C 15 53.500 53.500 55.300 -1.800 17827 578 1 2 . 1 1 22 22 ASP CB C 15 40.730 40.730 41.068 -0.338 17827 579 1 2 . 1 1 22 22 ASP H H 15 7.960 7.960 8.191 -0.231 17827 580 1 2 . 1 1 23 23 GLY N N 16 108.891 108.891 107.974 0.917 17827 581 1 2 . 1 1 23 23 GLY C C 16 174.373 174.373 173.469 0.904 17827 582 1 2 . 1 1 23 23 GLY CA C 16 45.370 45.370 46.034 -0.664 17827 583 1 2 . 1 1 23 23 GLY H H 16 8.344 8.344 8.814 -0.470 17827 584 1 2 . 1 1 24 24 THR N N 17 110.929 110.929 109.257 1.672 17827 585 1 2 . 1 1 24 24 THR HA H 17 4.640 4.640 4.574 0.066 17827 586 1 2 . 1 1 24 24 THR C C 17 173.620 173.620 172.812 0.808 17827 587 1 2 . 1 1 24 24 THR CA C 17 60.540 60.540 60.093 0.448 17827 588 1 2 . 1 1 24 24 THR CB C 17 72.100 72.100 71.243 0.857 17827 589 1 2 . 1 1 24 24 THR H H 17 7.850 7.850 7.436 0.414 17827 590 1 2 . 1 1 25 25 TRP N N 18 117.728 117.728 117.913 -0.185 17827 591 1 2 . 1 1 25 25 TRP HA H 18 4.945 4.945 4.966 -0.021 17827 592 1 2 . 1 1 25 25 TRP C C 18 174.164 174.164 174.086 0.078 17827 593 1 2 . 1 1 25 25 TRP CA C 18 54.620 54.620 56.818 -2.198 17827 594 1 2 . 1 1 25 25 TRP CB C 18 30.650 30.650 30.172 0.478 17827 595 1 2 . 1 1 25 25 TRP H H 18 8.640 8.640 7.538 1.102 17827 596 1 2 . 1 1 26 26 GLU N N 19 117.728 117.728 118.813 -1.085 17827 597 1 2 . 1 1 26 26 GLU HA H 19 4.851 4.851 4.861 -0.010 17827 598 1 2 . 1 1 26 26 GLU C C 19 174.786 174.786 174.515 0.271 17827 599 1 2 . 1 1 26 26 GLU CA C 19 55.710 55.710 54.829 0.881 17827 600 1 2 . 1 1 26 26 GLU CB C 19 31.500 31.500 32.465 -0.965 17827 601 1 2 . 1 1 26 26 GLU H H 19 8.744 8.744 8.495 0.249 17827 602 1 2 . 1 1 27 27 LEU N N 20 126.668 126.668 119.267 7.401 17827 603 1 2 . 1 1 27 27 LEU HA H 20 4.880 4.880 4.694 0.186 17827 604 1 2 . 1 1 27 27 LEU C C 20 175.123 175.123 175.256 -0.133 17827 605 1 2 . 1 1 27 27 LEU CA C 20 53.252 53.252 53.415 -0.163 17827 606 1 2 . 1 1 27 27 LEU CB C 20 45.280 45.280 46.596 -1.316 17827 607 1 2 . 1 1 27 27 LEU H H 20 8.980 8.980 8.807 0.173 17827 608 1 2 . 1 1 28 28 SER N N 21 121.804 121.804 116.797 5.007 17827 609 1 2 . 1 1 28 28 SER HA H 21 4.894 4.894 4.791 0.103 17827 610 1 2 . 1 1 28 28 SER C C 21 173.483 173.483 172.712 0.771 17827 611 1 2 . 1 1 28 28 SER CA C 21 57.880 57.880 57.224 0.656 17827 612 1 2 . 1 1 28 28 SER CB C 21 63.920 63.920 64.663 -0.743 17827 613 1 2 . 1 1 28 28 SER H H 21 8.785 8.785 8.423 0.362 17827 614 1 2 . 1 1 29 29 VAL N N 22 125.881 125.881 122.785 3.096 17827 615 1 2 . 1 1 29 29 VAL HA H 22 4.370 4.370 4.385 -0.015 17827 616 1 2 . 1 1 29 29 VAL C C 22 173.953 173.953 174.474 -0.521 17827 617 1 2 . 1 1 29 29 VAL CA C 22 60.440 60.440 60.413 0.027 17827 618 1 2 . 1 1 29 29 VAL CB C 22 34.350 34.350 35.296 -0.946 17827 619 1 2 . 1 1 29 29 VAL H H 22 8.865 8.865 8.304 0.561 17827 620 1 2 . 1 1 30 30 HIS N N 23 126.560 126.560 122.946 3.614 17827 621 1 2 . 1 1 30 30 HIS HA H 23 5.220 5.220 4.773 0.447 17827 622 1 2 . 1 1 30 30 HIS C C 23 174.596 174.596 174.450 0.146 17827 623 1 2 . 1 1 30 30 HIS CA C 23 55.250 55.250 55.472 -0.222 17827 624 1 2 . 1 1 30 30 HIS CB C 23 30.550 30.550 32.698 -2.148 17827 625 1 2 . 1 1 30 30 HIS H H 23 8.810 8.810 8.508 0.302 17827 626 1 2 . 1 1 31 31 VAL N N 24 130.587 130.587 128.455 2.132 17827 627 1 2 . 1 1 31 31 VAL HA H 24 5.230 5.230 4.622 0.608 17827 628 1 2 . 1 1 31 31 VAL C C 24 177.426 177.426 175.238 2.188 17827 629 1 2 . 1 1 31 31 VAL CA C 24 55.530 55.530 62.142 -6.612 17827 630 1 2 . 1 1 31 31 VAL CB C 24 31.040 31.040 31.761 -0.721 17827 631 1 2 . 1 1 31 31 VAL H H 24 9.043 9.043 8.790 0.253 17827 632 1 2 . 1 1 32 32 THR N N 25 122.484 122.484 121.864 0.620 17827 633 1 2 . 1 1 32 32 THR HA H 25 3.970 3.970 4.355 -0.385 17827 634 1 2 . 1 1 32 32 THR C C 25 177.437 177.437 175.149 2.288 17827 635 1 2 . 1 1 32 32 THR CA C 25 66.470 66.470 63.644 2.826 17827 636 1 2 . 1 1 32 32 THR CB C 25 68.220 68.220 70.280 -2.060 17827 637 1 2 . 1 1 32 32 THR H H 25 8.245 8.245 8.387 -0.142 17827 638 1 2 . 1 1 34 34 VAL N N 27 114.090 114.090 116.900 -2.810 17827 639 1 2 . 1 1 34 34 VAL HA H 27 4.500 4.500 4.267 0.233 17827 640 1 2 . 1 1 34 34 VAL CA C 27 54.220 54.220 62.519 -8.299 17827 641 1 2 . 1 1 34 34 VAL CB C 27 27.060 27.060 33.757 -6.697 17827 642 1 2 . 1 1 34 34 VAL H H 27 6.977 6.977 7.416 -0.439 17827 643 1 2 . 1 1 35 35 ASN N N 28 116.829 116.829 116.681 0.148 17827 644 1 2 . 1 1 35 35 ASN HA H 28 4.299 4.299 4.467 -0.168 17827 645 1 2 . 1 1 35 35 ASN CA C 28 53.650 53.650 54.179 -0.529 17827 646 1 2 . 1 1 35 35 ASN CB C 28 37.110 37.110 38.156 -1.046 17827 647 1 2 . 1 1 35 35 ASN H H 28 7.897 7.897 8.420 -0.523 17827 648 1 2 . 1 1 36 36 ARG N N 29 114.310 114.310 117.431 -3.121 17827 649 1 2 . 1 1 36 36 ARG HA H 29 4.700 4.700 4.600 0.100 17827 650 1 2 . 1 1 36 36 ARG C C 29 173.347 173.347 174.200 -0.853 17827 651 1 2 . 1 1 36 36 ARG CA C 29 54.900 54.900 54.917 -0.017 17827 652 1 2 . 1 1 36 36 ARG CB C 29 34.700 34.700 31.863 2.837 17827 653 1 2 . 1 1 36 36 ARG H H 29 6.787 6.787 7.647 -0.860 17827 654 1 2 . 1 1 37 37 ASP N N 30 124.071 124.071 117.828 6.243 17827 655 1 2 . 1 1 37 37 ASP HA H 30 5.475 5.475 4.666 0.809 17827 656 1 2 . 1 1 37 37 ASP C C 30 175.354 175.354 174.632 0.722 17827 657 1 2 . 1 1 37 37 ASP CA C 30 53.660 53.660 53.427 0.233 17827 658 1 2 . 1 1 37 37 ASP CB C 30 42.260 42.260 42.119 0.141 17827 659 1 2 . 1 1 37 37 ASP H H 30 8.760 8.760 8.385 0.375 17827 660 1 2 . 1 1 38 38 VAL N N 31 123.300 123.300 118.862 4.438 17827 661 1 2 . 1 1 38 38 VAL HA H 31 4.270 4.270 4.548 -0.278 17827 662 1 2 . 1 1 38 38 VAL C C 31 174.203 174.203 174.326 -0.123 17827 663 1 2 . 1 1 38 38 VAL CA C 31 60.700 60.700 60.135 0.565 17827 664 1 2 . 1 1 38 38 VAL CB C 31 34.620 34.620 36.051 -1.431 17827 665 1 2 . 1 1 38 38 VAL H H 31 9.187 9.187 7.809 1.378 17827 666 1 2 . 1 1 39 39 THR N N 32 119.766 119.766 113.239 6.527 17827 667 1 2 . 1 1 39 39 THR HA H 32 5.095 5.095 4.831 0.264 17827 668 1 2 . 1 1 39 39 THR C C 32 173.547 173.547 173.133 0.414 17827 669 1 2 . 1 1 39 39 THR CA C 32 60.550 60.550 59.995 0.555 17827 670 1 2 . 1 1 39 39 THR CB C 32 70.170 70.170 71.059 -0.889 17827 671 1 2 . 1 1 39 39 THR H H 32 8.360 8.360 8.093 0.267 17827 672 1 2 . 1 1 40 40 LEU N N 33 124.522 124.522 122.715 1.807 17827 673 1 2 . 1 1 40 40 LEU HA H 33 4.590 4.590 4.660 -0.070 17827 674 1 2 . 1 1 40 40 LEU C C 33 174.691 174.691 175.815 -1.124 17827 675 1 2 . 1 1 40 40 LEU CA C 33 52.580 52.580 53.768 -1.188 17827 676 1 2 . 1 1 40 40 LEU CB C 33 45.410 45.410 44.456 0.954 17827 677 1 2 . 1 1 40 40 LEU H H 33 8.750 8.750 8.161 0.589 17827 678 1 2 . 1 1 41 41 ARG N N 34 122.712 122.712 124.563 -1.851 17827 679 1 2 . 1 1 41 41 ARG HA H 34 4.680 4.680 4.689 -0.009 17827 680 1 2 . 1 1 41 41 ARG C C 34 175.700 175.700 174.480 1.220 17827 681 1 2 . 1 1 41 41 ARG CA C 34 55.420 55.420 55.388 0.032 17827 682 1 2 . 1 1 41 41 ARG CB C 34 29.500 29.500 29.635 -0.135 17827 683 1 2 . 1 1 41 41 ARG H H 34 8.345 8.345 8.754 -0.409 17827 684 1 2 . 1 1 42 42 VAL N N 35 117.728 117.728 118.034 -0.306 17827 685 1 2 . 1 1 42 42 VAL HA H 35 4.465 4.465 4.532 -0.067 17827 686 1 2 . 1 1 42 42 VAL C C 35 173.184 173.184 173.673 -0.489 17827 687 1 2 . 1 1 42 42 VAL CA C 35 58.670 58.670 59.285 -0.615 17827 688 1 2 . 1 1 42 42 VAL CB C 35 36.050 36.050 35.515 0.535 17827 689 1 2 . 1 1 42 42 VAL H H 35 8.640 8.640 7.798 0.842 17827 690 1 2 . 1 1 43 43 THR N N 36 104.359 104.359 109.910 -5.551 17827 691 1 2 . 1 1 43 43 THR HA H 36 4.660 4.660 2.400 2.260 17827 692 1 2 . 1 1 43 43 THR C C 36 174.862 174.862 175.501 -0.639 17827 693 1 2 . 1 1 43 43 THR CA C 36 59.010 59.010 59.260 -0.250 17827 694 1 2 . 1 1 43 43 THR CB C 36 71.570 71.570 71.061 0.509 17827 695 1 2 . 1 1 43 43 THR H H 36 6.220 6.220 7.939 -1.719 17827 696 1 2 . 1 1 44 44 GLY N N 37 105.946 105.946 107.171 -1.225 17827 697 1 2 . 1 1 44 44 GLY C C 37 173.394 173.394 174.551 -1.157 17827 698 1 2 . 1 1 44 44 GLY CA C 37 46.830 46.830 46.719 0.111 17827 699 1 2 . 1 1 44 44 GLY H H 37 9.160 9.160 8.639 0.521 17827 700 1 2 . 1 1 45 45 GLU N N 38 113.875 113.875 117.583 -3.708 17827 701 1 2 . 1 1 45 45 GLU HA H 38 4.290 4.290 4.242 0.048 17827 702 1 2 . 1 1 45 45 GLU C C 38 176.167 176.167 176.445 -0.278 17827 703 1 2 . 1 1 45 45 GLU CA C 38 55.500 55.500 55.994 -0.494 17827 704 1 2 . 1 1 45 45 GLU CB C 38 30.950 30.950 29.687 1.263 17827 705 1 2 . 1 1 45 45 GLU H H 38 7.500 7.500 7.314 0.186 17827 706 1 2 . 1 1 46 46 VAL N N 39 121.577 121.577 122.272 -0.695 17827 707 1 2 . 1 1 46 46 VAL HA H 39 3.820 3.820 3.899 -0.079 17827 708 1 2 . 1 1 46 46 VAL C C 39 174.651 174.651 175.092 -0.441 17827 709 1 2 . 1 1 46 46 VAL CA C 39 63.920 63.920 62.254 1.666 17827 710 1 2 . 1 1 46 46 VAL CB C 39 31.590 31.590 32.633 -1.043 17827 711 1 2 . 1 1 46 46 VAL H H 39 7.260 7.260 7.534 -0.274 17827 712 1 2 . 1 1 47 47 HIS N N 40 123.391 123.391 125.508 -2.117 17827 713 1 2 . 1 1 47 47 HIS HA H 40 5.212 5.212 4.682 0.530 17827 714 1 2 . 1 1 47 47 HIS C C 40 177.440 177.440 176.202 1.238 17827 715 1 2 . 1 1 47 47 HIS CA C 40 54.660 54.660 56.626 -1.966 17827 716 1 2 . 1 1 47 47 HIS CB C 40 30.910 30.910 31.234 -0.324 17827 717 1 2 . 1 1 47 47 HIS H H 40 8.285 8.285 8.404 -0.119 17827 718 1 2 . 1 1 48 48 ILE N N 41 124.071 124.071 124.278 -0.207 17827 719 1 2 . 1 1 48 48 ILE HA H 41 3.530 3.530 3.862 -0.332 17827 720 1 2 . 1 1 48 48 ILE C C 41 178.941 178.941 177.596 1.345 17827 721 1 2 . 1 1 48 48 ILE CA C 41 62.330 62.330 65.561 -3.231 17827 722 1 2 . 1 1 48 48 ILE CB C 41 34.230 34.230 37.899 -3.669 17827 723 1 2 . 1 1 48 48 ILE H H 41 8.863 8.863 8.479 0.384 17827 724 1 2 . 1 1 49 49 GLY N N 42 106.853 106.853 104.344 2.509 17827 725 1 2 . 1 1 49 49 GLY C C 42 175.669 175.669 175.245 0.424 17827 726 1 2 . 1 1 49 49 GLY CA C 42 45.320 45.320 46.229 -0.909 17827 727 1 2 . 1 1 49 49 GLY H H 42 9.720 9.720 8.800 0.920 17827 728 1 2 . 1 1 50 50 GLY N N 43 109.571 109.571 109.101 0.470 17827 729 1 2 . 1 1 50 50 GLY C C 43 175.847 175.847 175.334 0.513 17827 730 1 2 . 1 1 50 50 GLY CA C 43 47.000 47.000 45.454 1.546 17827 731 1 2 . 1 1 50 50 GLY H H 43 6.950 6.950 8.248 -1.298 17827 732 1 2 . 1 1 51 51 VAL N N 44 123.163 123.163 124.819 -1.656 17827 733 1 2 . 1 1 51 51 VAL HA H 44 3.115 3.115 3.572 -0.457 17827 734 1 2 . 1 1 51 51 VAL C C 44 176.804 176.804 177.865 -1.061 17827 735 1 2 . 1 1 51 51 VAL CA C 44 66.660 66.660 67.340 -0.679 17827 736 1 2 . 1 1 51 51 VAL CB C 44 30.730 30.730 32.111 -1.381 17827 737 1 2 . 1 1 51 51 VAL H H 44 7.860 7.860 8.682 -0.822 17827 738 1 2 . 1 1 52 52 MET N N 45 115.913 115.913 117.716 -1.803 17827 739 1 2 . 1 1 52 52 MET HA H 45 3.410 3.410 4.125 -0.715 17827 740 1 2 . 1 1 52 52 MET C C 45 176.881 176.881 178.198 -1.317 17827 741 1 2 . 1 1 52 52 MET CA C 45 59.830 59.830 59.593 0.237 17827 742 1 2 . 1 1 52 52 MET CB C 45 32.310 32.310 31.828 0.482 17827 743 1 2 . 1 1 52 52 MET H H 45 7.940 7.940 7.921 0.019 17827 744 1 2 . 1 1 53 53 LEU N N 46 118.291 118.291 121.495 -3.204 17827 745 1 2 . 1 1 53 53 LEU HA H 46 3.940 3.940 4.167 -0.227 17827 746 1 2 . 1 1 53 53 LEU C C 46 179.178 179.178 179.329 -0.151 17827 747 1 2 . 1 1 53 53 LEU CA C 46 58.500 58.500 58.131 0.369 17827 748 1 2 . 1 1 53 53 LEU CB C 46 41.930 41.930 41.193 0.737 17827 749 1 2 . 1 1 53 53 LEU H H 46 7.550 7.550 7.715 -0.165 17827 750 1 2 . 1 1 54 54 LYS N N 47 118.142 118.142 119.500 -1.358 17827 751 1 2 . 1 1 54 54 LYS HA H 47 3.870 3.870 4.165 -0.295 17827 752 1 2 . 1 1 54 54 LYS C C 47 178.616 178.616 179.283 -0.667 17827 753 1 2 . 1 1 54 54 LYS CA C 47 57.980 57.980 59.172 -1.192 17827 754 1 2 . 1 1 54 54 LYS CB C 47 32.320 32.320 32.096 0.224 17827 755 1 2 . 1 1 54 54 LYS H H 47 7.665 7.665 8.666 -1.001 17827 756 1 2 . 1 1 55 55 LEU N N 48 119.385 119.385 120.439 -1.054 17827 757 1 2 . 1 1 55 55 LEU HA H 48 3.570 3.570 4.279 -0.709 17827 758 1 2 . 1 1 55 55 LEU C C 48 177.405 177.405 177.850 -0.445 17827 759 1 2 . 1 1 55 55 LEU CA C 48 57.790 57.790 57.759 0.031 17827 760 1 2 . 1 1 55 55 LEU CB C 48 41.590 41.590 42.154 -0.564 17827 761 1 2 . 1 1 55 55 LEU H H 48 7.975 7.975 7.887 0.088 17827 762 1 2 . 1 1 56 56 VAL N N 49 116.141 116.141 119.810 -3.669 17827 763 1 2 . 1 1 56 56 VAL HA H 49 2.990 2.990 3.638 -0.648 17827 764 1 2 . 1 1 56 56 VAL C C 49 178.564 178.564 178.135 0.429 17827 765 1 2 . 1 1 56 56 VAL CA C 49 66.310 66.310 66.870 -0.560 17827 766 1 2 . 1 1 56 56 VAL CB C 49 31.300 31.300 31.331 -0.031 17827 767 1 2 . 1 1 56 56 VAL H H 49 7.615 7.615 8.976 -1.361 17827 768 1 2 . 1 1 57 57 GLU N N 50 118.631 118.631 117.391 1.240 17827 769 1 2 . 1 1 57 57 GLU HA H 50 3.965 3.965 4.103 -0.138 17827 770 1 2 . 1 1 57 57 GLU C C 50 178.030 178.030 178.242 -0.212 17827 771 1 2 . 1 1 57 57 GLU CA C 50 58.500 58.500 58.780 -0.280 17827 772 1 2 . 1 1 57 57 GLU CB C 50 29.610 29.610 29.699 -0.089 17827 773 1 2 . 1 1 57 57 GLU H H 50 7.575 7.575 8.723 -1.148 17827 774 1 2 . 1 1 58 58 LYS N N 51 117.053 117.053 118.348 -1.295 17827 775 1 2 . 1 1 58 58 LYS HA H 51 4.130 4.130 4.100 0.030 17827 776 1 2 . 1 1 58 58 LYS C C 51 176.956 176.956 177.851 -0.895 17827 777 1 2 . 1 1 58 58 LYS CA C 51 56.660 56.660 57.946 -1.286 17827 778 1 2 . 1 1 58 58 LYS CB C 51 32.660 32.660 32.883 -0.223 17827 779 1 2 . 1 1 58 58 LYS H H 51 7.490 7.490 7.516 -0.026 17827 780 1 2 . 1 1 59 59 LEU N N 52 119.460 119.460 119.921 -0.461 17827 781 1 2 . 1 1 59 59 LEU HA H 52 4.122 4.122 4.056 0.066 17827 782 1 2 . 1 1 59 59 LEU C C 52 176.645 176.645 176.664 -0.019 17827 783 1 2 . 1 1 59 59 LEU CA C 52 56.660 56.660 55.941 0.719 17827 784 1 2 . 1 1 59 59 LEU CB C 52 42.700 42.700 42.524 0.176 17827 785 1 2 . 1 1 59 59 LEU H H 52 7.470 7.470 7.903 -0.433 17827 786 1 2 . 1 1 62 62 LYS C C 55 175.670 175.670 175.116 0.554 17827 787 1 2 . 1 1 63 63 LYS N N 56 122.430 122.430 122.592 -0.162 17827 788 1 2 . 1 1 63 63 LYS HA H 56 4.030 4.030 4.184 -0.154 17827 789 1 2 . 1 1 63 63 LYS C C 56 172.850 172.850 175.192 -2.342 17827 790 1 2 . 1 1 63 63 LYS CA C 56 54.530 54.530 56.087 -1.557 17827 791 1 2 . 1 1 63 63 LYS CB C 56 34.440 34.440 33.062 1.378 17827 792 1 2 . 1 1 63 63 LYS H H 56 7.245 7.245 8.196 -0.951 17827 793 1 2 . 1 1 64 64 ASP N N 57 118.867 118.867 123.915 -5.048 17827 794 1 2 . 1 1 64 64 ASP HA H 57 4.530 4.530 4.210 0.320 17827 795 1 2 . 1 1 64 64 ASP C C 57 176.710 176.710 173.997 2.713 17827 796 1 2 . 1 1 64 64 ASP CA C 57 52.500 52.500 52.842 -0.342 17827 797 1 2 . 1 1 64 64 ASP CB C 57 40.320 40.320 43.702 -3.382 17827 798 1 2 . 1 1 64 64 ASP H H 57 7.867 7.867 8.111 -0.244 17827 799 1 2 . 1 1 65 65 TRP N N 58 128.827 128.827 120.937 7.890 17827 800 1 2 . 1 1 65 65 TRP HA H 58 4.540 4.540 4.738 -0.198 17827 801 1 2 . 1 1 65 65 TRP C C 58 178.390 178.390 175.735 2.655 17827 802 1 2 . 1 1 65 65 TRP CA C 58 52.860 52.860 57.624 -4.764 17827 803 1 2 . 1 1 65 65 TRP CB C 58 29.420 29.420 30.020 -0.600 17827 804 1 2 . 1 1 65 65 TRP H H 58 8.790 8.790 7.757 1.033 17827 805 1 2 . 1 1 66 66 SER N N 59 117.724 117.724 114.951 2.773 17827 806 1 2 . 1 1 66 66 SER HA H 59 4.143 4.143 4.382 -0.239 17827 807 1 2 . 1 1 66 66 SER C C 59 174.471 174.471 174.619 -0.148 17827 808 1 2 . 1 1 66 66 SER CA C 59 62.350 62.350 59.911 2.439 17827 809 1 2 . 1 1 66 66 SER CB C 59 63.110 63.110 63.429 -0.320 17827 810 1 2 . 1 1 66 66 SER H H 59 8.637 8.637 8.090 0.547 17827 811 1 2 . 1 1 67 67 ASP N N 60 121.042 121.042 120.359 0.683 17827 812 1 2 . 1 1 67 67 ASP C C 60 176.206 176.206 176.013 0.193 17827 813 1 2 . 1 1 67 67 ASP CB C 60 42.560 42.560 41.015 1.545 17827 814 1 2 . 1 1 67 67 ASP H H 60 8.895 8.895 7.983 0.912 17827 815 1 2 . 1 1 68 68 HIS N N 61 121.519 121.519 117.038 4.481 17827 816 1 2 . 1 1 68 68 HIS HA H 61 4.490 4.490 4.430 0.060 17827 817 1 2 . 1 1 68 68 HIS C C 61 174.546 174.546 173.710 0.836 17827 818 1 2 . 1 1 68 68 HIS CA C 61 57.940 57.940 55.064 2.876 17827 819 1 2 . 1 1 68 68 HIS CB C 61 39.410 39.410 30.939 8.471 17827 820 1 2 . 1 1 68 68 HIS H H 61 7.958 7.958 7.241 0.717 17827 821 1 2 . 1 1 69 69 ALA N N 62 122.256 122.256 118.375 3.881 17827 822 1 2 . 1 1 69 69 ALA C C 62 175.294 175.294 174.603 0.691 17827 823 1 2 . 1 1 69 69 ALA CB C 62 22.470 22.470 22.232 0.238 17827 824 1 2 . 1 1 69 69 ALA H H 62 8.575 8.575 8.491 0.084 17827 825 1 2 . 1 1 70 70 LEU N N 63 118.904 118.904 119.886 -0.982 17827 826 1 2 . 1 1 70 70 LEU HA H 63 5.654 5.654 4.896 0.758 17827 827 1 2 . 1 1 70 70 LEU C C 63 174.445 174.445 176.315 -1.870 17827 828 1 2 . 1 1 70 70 LEU CA C 63 53.930 53.930 53.046 0.884 17827 829 1 2 . 1 1 70 70 LEU CB C 63 44.300 44.300 42.756 1.544 17827 830 1 2 . 1 1 70 70 LEU H H 63 9.150 9.150 8.667 0.483 17827 831 1 2 . 1 1 71 71 TRP N N 64 125.367 125.367 127.015 -1.648 17827 832 1 2 . 1 1 71 71 TRP C C 64 174.010 174.010 174.899 -0.889 17827 833 1 2 . 1 1 71 71 TRP CB C 64 32.210 32.210 30.133 2.077 17827 834 1 2 . 1 1 71 71 TRP H H 64 9.590 9.590 8.581 1.009 17827 835 1 2 . 1 1 72 72 TRP N N 65 129.982 129.982 130.115 -0.133 17827 836 1 2 . 1 1 72 72 TRP HA H 65 4.980 4.980 4.895 0.085 17827 837 1 2 . 1 1 72 72 TRP C C 65 174.335 174.335 176.162 -1.827 17827 838 1 2 . 1 1 72 72 TRP CA C 65 51.440 51.440 55.067 -3.627 17827 839 1 2 . 1 1 72 72 TRP CB C 65 30.490 30.490 30.680 -0.190 17827 840 1 2 . 1 1 72 72 TRP H H 65 8.277 8.277 9.183 -0.906 17827 841 1 2 . 1 1 73 73 GLU N N 66 129.112 129.112 126.207 2.905 17827 842 1 2 . 1 1 73 73 GLU HA H 66 3.300 3.300 3.685 -0.385 17827 843 1 2 . 1 1 73 73 GLU C C 66 178.595 178.595 177.276 1.319 17827 844 1 2 . 1 1 73 73 GLU CA C 66 59.920 59.920 58.903 1.017 17827 845 1 2 . 1 1 73 73 GLU CB C 66 29.060 29.060 28.834 0.226 17827 846 1 2 . 1 1 73 73 GLU H H 66 8.969 8.969 9.042 -0.073 17827 847 1 2 . 1 1 74 74 LYS N N 67 117.492 117.492 119.902 -2.410 17827 848 1 2 . 1 1 74 74 LYS HA H 67 3.702 3.702 3.414 0.288 17827 849 1 2 . 1 1 74 74 LYS C C 67 176.361 176.361 177.131 -0.770 17827 850 1 2 . 1 1 74 74 LYS CA C 67 58.660 58.660 58.166 0.494 17827 851 1 2 . 1 1 74 74 LYS CB C 67 32.020 32.020 31.118 0.902 17827 852 1 2 . 1 1 74 74 LYS H H 67 7.860 7.860 7.548 0.312 17827 853 1 2 . 1 1 75 75 LYS N N 68 121.233 121.233 113.658 7.575 17827 854 1 2 . 1 1 75 75 LYS HA H 68 3.935 3.935 4.364 -0.428 17827 855 1 2 . 1 1 75 75 LYS C C 68 174.183 174.183 175.363 -1.180 17827 856 1 2 . 1 1 75 75 LYS CA C 68 53.400 53.400 55.434 -2.034 17827 857 1 2 . 1 1 75 75 LYS CB C 68 32.200 32.200 34.072 -1.871 17827 858 1 2 . 1 1 75 75 LYS H H 68 7.500 7.500 7.171 0.329 17827 859 1 2 . 1 1 76 76 ARG N N 69 121.125 121.125 118.084 3.041 17827 860 1 2 . 1 1 76 76 ARG HA H 69 2.890 2.890 4.105 -1.215 17827 861 1 2 . 1 1 76 76 ARG C C 69 173.984 173.984 175.109 -1.125 17827 862 1 2 . 1 1 76 76 ARG CA C 69 56.316 56.316 56.814 -0.498 17827 863 1 2 . 1 1 76 76 ARG CB C 69 27.090 27.090 26.998 0.092 17827 864 1 2 . 1 1 76 76 ARG H H 69 7.500 7.500 7.765 -0.265 17827 865 1 2 . 1 1 77 77 THR N N 70 110.478 110.478 113.732 -3.254 17827 866 1 2 . 1 1 77 77 THR HA H 70 4.650 4.650 4.486 0.164 17827 867 1 2 . 1 1 77 77 THR C C 70 171.846 171.846 172.272 -0.426 17827 868 1 2 . 1 1 77 77 THR CA C 70 61.630 61.630 60.931 0.699 17827 869 1 2 . 1 1 77 77 THR CB C 70 72.210 72.210 71.359 0.851 17827 870 1 2 . 1 1 77 77 THR H H 70 6.280 6.280 7.659 -1.379 17827 871 1 2 . 1 1 78 78 TRP N N 71 127.244 127.244 122.951 4.293 17827 872 1 2 . 1 1 78 78 TRP HA H 71 4.750 4.750 5.492 -0.742 17827 873 1 2 . 1 1 78 78 TRP C C 71 177.303 177.303 176.351 0.952 17827 874 1 2 . 1 1 78 78 TRP CA C 71 56.240 56.240 55.077 1.163 17827 875 1 2 . 1 1 78 78 TRP CB C 71 30.500 30.500 30.561 -0.060 17827 876 1 2 . 1 1 78 78 TRP H H 71 8.795 8.795 8.511 0.284 17827 877 1 2 . 1 1 79 79 LEU N N 72 125.202 125.202 122.165 3.037 17827 878 1 2 . 1 1 79 79 LEU HA H 72 4.500 4.500 4.857 -0.357 17827 879 1 2 . 1 1 79 79 LEU C C 72 175.667 175.667 175.972 -0.305 17827 880 1 2 . 1 1 79 79 LEU CA C 72 52.510 52.510 54.245 -1.735 17827 881 1 2 . 1 1 79 79 LEU CB C 72 38.240 38.240 41.944 -3.704 17827 882 1 2 . 1 1 79 79 LEU H H 72 9.175 9.175 8.227 0.948 17827 883 1 2 . 1 1 80 80 LEU N N 73 119.170 119.170 123.748 -4.578 17827 884 1 2 . 1 1 80 80 LEU HA H 73 4.380 4.380 4.572 -0.192 17827 885 1 2 . 1 1 80 80 LEU C C 73 178.139 178.139 176.711 1.428 17827 886 1 2 . 1 1 80 80 LEU CA C 73 54.700 54.700 54.967 -0.267 17827 887 1 2 . 1 1 80 80 LEU CB C 73 42.170 42.170 42.507 -0.337 17827 888 1 2 . 1 1 80 80 LEU H H 73 7.280 7.280 8.641 -1.361 17827 889 1 2 . 1 1 81 81 LYS N N 74 119.766 119.766 118.566 1.200 17827 890 1 2 . 1 1 81 81 LYS HA H 74 4.435 4.435 4.289 0.146 17827 891 1 2 . 1 1 81 81 LYS C C 74 176.601 176.601 177.137 -0.536 17827 892 1 2 . 1 1 81 81 LYS CA C 74 54.660 54.660 56.731 -2.071 17827 893 1 2 . 1 1 81 81 LYS CB C 74 28.540 28.540 32.837 -4.298 17827 894 1 2 . 1 1 81 81 LYS H H 74 7.865 7.865 7.827 0.038 17827 895 1 2 . 1 1 82 82 THR N N 75 115.636 115.636 114.190 1.446 17827 896 1 2 . 1 1 82 82 THR HA H 75 3.800 3.800 4.403 -0.603 17827 897 1 2 . 1 1 82 82 THR C C 75 174.806 174.806 176.140 -1.334 17827 898 1 2 . 1 1 82 82 THR CA C 75 64.650 64.650 64.249 0.401 17827 899 1 2 . 1 1 82 82 THR CB C 75 68.260 68.260 68.942 -0.682 17827 900 1 2 . 1 1 82 82 THR H H 75 7.910 7.910 8.603 -0.693 17827 901 1 2 . 1 1 83 83 HIS N N 76 116.767 116.767 120.708 -3.941 17827 902 1 2 . 1 1 83 83 HIS C C 76 176.370 176.370 174.641 1.729 17827 903 1 2 . 1 1 83 83 HIS CB C 76 30.210 30.210 29.503 0.707 17827 904 1 2 . 1 1 83 83 HIS H H 76 8.965 8.965 8.629 0.336 17827 905 1 2 . 1 1 84 84 TRP N N 77 123.905 123.905 119.031 4.874 17827 906 1 2 . 1 1 84 84 TRP C C 77 175.584 175.584 175.245 0.339 17827 907 1 2 . 1 1 84 84 TRP CB C 77 30.390 30.390 27.797 2.592 17827 908 1 2 . 1 1 84 84 TRP H H 77 7.635 7.635 7.577 0.058 17827 909 1 2 . 1 1 85 85 THR N N 78 108.440 108.440 115.021 -6.581 17827 910 1 2 . 1 1 85 85 THR HA H 78 4.900 4.900 4.246 0.654 17827 911 1 2 . 1 1 85 85 THR C C 78 175.691 175.691 176.286 -0.595 17827 912 1 2 . 1 1 85 85 THR CA C 78 59.500 59.500 63.778 -4.278 17827 913 1 2 . 1 1 85 85 THR CB C 78 70.600 70.600 69.640 0.960 17827 914 1 2 . 1 1 85 85 THR H H 78 7.030 7.030 7.882 -0.852 17827 915 1 2 . 1 1 86 86 LEU N N 79 119.766 119.766 120.807 -1.041 17827 916 1 2 . 1 1 86 86 LEU HA H 79 4.040 4.040 4.298 -0.258 17827 917 1 2 . 1 1 86 86 LEU C C 79 179.734 179.734 179.295 0.439 17827 918 1 2 . 1 1 86 86 LEU CA C 79 58.750 58.750 58.044 0.706 17827 919 1 2 . 1 1 86 86 LEU CB C 79 40.450 40.450 40.263 0.187 17827 920 1 2 . 1 1 86 86 LEU H H 79 8.045 8.045 8.910 -0.865 17827 921 1 2 . 1 1 87 87 ASP N N 80 118.407 118.407 118.919 -0.512 17827 922 1 2 . 1 1 87 87 ASP HA H 80 4.440 4.440 4.388 0.052 17827 923 1 2 . 1 1 87 87 ASP C C 80 179.152 179.152 178.179 0.973 17827 924 1 2 . 1 1 87 87 ASP CA C 80 57.320 57.320 57.075 0.245 17827 925 1 2 . 1 1 87 87 ASP CB C 80 40.320 40.320 40.692 -0.372 17827 926 1 2 . 1 1 87 87 ASP H H 80 8.935 8.935 8.851 0.084 17827 927 1 2 . 1 1 88 88 LYS N N 81 123.300 123.300 118.829 4.471 17827 928 1 2 . 1 1 88 88 LYS HA H 81 3.700 3.700 3.929 -0.229 17827 929 1 2 . 1 1 88 88 LYS C C 81 178.721 178.721 177.945 0.776 17827 930 1 2 . 1 1 88 88 LYS CA C 81 59.020 59.020 59.001 0.019 17827 931 1 2 . 1 1 88 88 LYS CB C 81 31.640 31.640 32.043 -0.403 17827 932 1 2 . 1 1 88 88 LYS H H 81 8.055 8.055 8.178 -0.123 17827 933 1 2 . 1 1 89 89 TYR N N 82 115.690 115.690 117.161 -1.471 17827 934 1 2 . 1 1 89 89 TYR HA H 82 4.580 4.580 4.212 0.368 17827 935 1 2 . 1 1 89 89 TYR C C 82 176.164 176.164 175.553 0.611 17827 936 1 2 . 1 1 89 89 TYR CA C 82 61.750 61.750 58.977 2.773 17827 937 1 2 . 1 1 89 89 TYR CB C 82 40.750 40.750 39.051 1.698 17827 938 1 2 . 1 1 89 89 TYR H H 82 7.730 7.730 7.477 0.253 17827 939 1 2 . 1 1 90 90 GLY N N 83 108.212 108.212 106.295 1.917 17827 940 1 2 . 1 1 90 90 GLY C C 83 174.555 174.555 174.505 0.050 17827 941 1 2 . 1 1 90 90 GLY CA C 83 45.510 45.510 44.940 0.570 17827 942 1 2 . 1 1 90 90 GLY H H 83 8.030 8.030 7.629 0.401 17827 943 1 2 . 1 1 91 91 ILE N N 84 122.960 122.960 120.261 2.699 17827 944 1 2 . 1 1 91 91 ILE HA H 84 3.370 3.370 4.260 -0.889 17827 945 1 2 . 1 1 91 91 ILE C C 84 173.611 173.611 175.118 -1.507 17827 946 1 2 . 1 1 91 91 ILE CA C 84 61.700 61.700 60.918 0.782 17827 947 1 2 . 1 1 91 91 ILE CB C 84 37.610 37.610 39.586 -1.976 17827 948 1 2 . 1 1 91 91 ILE H H 84 7.850 7.850 7.979 -0.129 17827 949 1 2 . 1 1 92 92 GLN N N 85 125.429 125.429 123.936 1.493 17827 950 1 2 . 1 1 92 92 GLN HA H 85 3.880 3.880 4.027 -0.147 17827 951 1 2 . 1 1 92 92 GLN C C 85 174.756 174.756 175.054 -0.298 17827 952 1 2 . 1 1 92 92 GLN CA C 85 53.720 53.720 54.847 -1.127 17827 953 1 2 . 1 1 92 92 GLN CB C 85 31.150 31.150 30.731 0.419 17827 954 1 2 . 1 1 92 92 GLN H H 85 7.700 7.700 8.210 -0.510 17827 955 1 2 . 1 1 93 93 ALA N N 86 118.217 118.217 120.904 -2.687 17827 956 1 2 . 1 1 93 93 ALA HA H 86 3.800 3.800 4.114 -0.314 17827 957 1 2 . 1 1 93 93 ALA C C 86 177.201 177.201 177.184 0.017 17827 958 1 2 . 1 1 93 93 ALA CA C 86 54.080 54.080 53.222 0.858 17827 959 1 2 . 1 1 93 93 ALA CB C 86 18.410 18.410 18.532 -0.122 17827 960 1 2 . 1 1 93 93 ALA H H 86 6.886 6.886 8.054 -1.168 17827 961 1 2 . 1 1 94 94 ASP N N 87 113.647 113.647 116.992 -3.345 17827 962 1 2 . 1 1 94 94 ASP HA H 87 4.420 4.420 4.544 -0.124 17827 963 1 2 . 1 1 94 94 ASP C C 87 176.218 176.218 175.165 1.053 17827 964 1 2 . 1 1 94 94 ASP CA C 87 54.060 54.060 53.567 0.493 17827 965 1 2 . 1 1 94 94 ASP CB C 87 39.600 39.600 40.781 -1.181 17827 966 1 2 . 1 1 94 94 ASP H H 87 8.223 8.223 8.065 0.158 17827 967 1 2 . 1 1 95 95 ALA N N 88 124.145 124.145 122.791 1.354 17827 968 1 2 . 1 1 95 95 ALA HA H 88 4.306 4.306 4.664 -0.358 17827 969 1 2 . 1 1 95 95 ALA C C 88 176.630 176.630 176.302 0.328 17827 970 1 2 . 1 1 95 95 ALA CA C 88 53.320 53.320 51.600 1.720 17827 971 1 2 . 1 1 95 95 ALA CB C 88 20.020 20.020 19.514 0.506 17827 972 1 2 . 1 1 95 95 ALA H H 88 7.941 7.941 7.079 0.862 17827 973 1 2 . 1 1 96 96 LYS N N 89 120.897 120.897 125.908 -5.011 17827 974 1 2 . 1 1 96 96 LYS HA H 89 4.826 4.826 4.510 0.316 17827 975 1 2 . 1 1 96 96 LYS C C 89 176.161 176.161 175.923 0.238 17827 976 1 2 . 1 1 96 96 LYS CA C 89 54.736 54.736 54.951 -0.215 17827 977 1 2 . 1 1 96 96 LYS CB C 89 32.390 32.390 32.325 0.065 17827 978 1 2 . 1 1 96 96 LYS H H 89 8.500 8.500 8.531 -0.031 17827 979 1 2 . 1 1 97 97 LEU N N 90 122.960 122.960 124.936 -1.976 17827 980 1 2 . 1 1 97 97 LEU HA H 90 5.075 5.075 3.934 1.141 17827 981 1 2 . 1 1 97 97 LEU C C 90 176.394 176.394 176.062 0.332 17827 982 1 2 . 1 1 97 97 LEU CA C 90 53.060 53.060 54.361 -1.301 17827 983 1 2 . 1 1 97 97 LEU CB C 90 44.850 44.850 42.969 1.881 17827 984 1 2 . 1 1 97 97 LEU H H 90 8.566 8.566 8.482 0.084 17827 985 1 2 . 1 1 98 98 GLN N N 91 119.538 119.538 114.518 5.020 17827 986 1 2 . 1 1 98 98 GLN HA H 91 5.710 5.710 4.839 0.871 17827 987 1 2 . 1 1 98 98 GLN C C 91 174.144 174.144 174.549 -0.405 17827 988 1 2 . 1 1 98 98 GLN CA C 91 54.360 54.360 54.478 -0.118 17827 989 1 2 . 1 1 98 98 GLN CB C 91 32.290 32.290 32.717 -0.427 17827 990 1 2 . 1 1 98 98 GLN H H 91 9.060 9.060 7.793 1.267 17827 991 1 2 . 1 1 99 99 PHE N N 92 125.674 125.674 120.213 5.461 17827 992 1 2 . 1 1 99 99 PHE HA H 92 5.700 5.700 5.375 0.325 17827 993 1 2 . 1 1 99 99 PHE C C 92 174.537 174.537 174.057 0.480 17827 994 1 2 . 1 1 99 99 PHE CA C 92 54.190 54.190 56.535 -2.345 17827 995 1 2 . 1 1 99 99 PHE CB C 92 41.080 41.080 43.709 -2.629 17827 996 1 2 . 1 1 99 99 PHE H H 92 9.290 9.290 9.741 -0.451 17827 997 1 2 . 1 1 100 100 THR N N 93 124.543 124.543 117.468 7.075 17827 998 1 2 . 1 1 100 100 THR HA H 93 5.100 5.100 5.029 0.071 17827 999 1 2 . 1 1 100 100 THR C C 93 180.164 180.164 172.035 8.129 17827 1000 1 2 . 1 1 100 100 THR CA C 93 58.830 58.830 59.361 -0.531 17827 1001 1 2 . 1 1 100 100 THR CB C 93 73.610 73.610 71.445 2.165 17827 1002 1 2 . 1 1 100 100 THR H H 93 8.945 8.945 8.589 0.356 17827 1003 1 3 . 1 1 9 9 ALA N N 2 124.336 124.336 122.874 1.462 17827 1004 1 3 . 1 1 9 9 ALA HA H 2 4.210 4.210 4.663 -0.453 17827 1005 1 3 . 1 1 9 9 ALA C C 2 177.598 177.598 175.938 1.660 17827 1006 1 3 . 1 1 9 9 ALA CA C 2 52.440 52.440 51.439 1.001 17827 1007 1 3 . 1 1 9 9 ALA CB C 2 19.030 19.030 19.704 -0.674 17827 1008 1 3 . 1 1 9 9 ALA H H 2 8.018 8.018 8.312 -0.294 17827 1009 1 3 . 1 1 10 10 LEU N N 3 121.125 121.125 119.267 1.858 17827 1010 1 3 . 1 1 10 10 LEU HA H 3 4.210 4.210 4.517 -0.307 17827 1011 1 3 . 1 1 10 10 LEU C C 3 177.094 177.094 177.592 -0.498 17827 1012 1 3 . 1 1 10 10 LEU CA C 3 55.320 55.320 54.844 0.476 17827 1013 1 3 . 1 1 10 10 LEU CB C 3 42.170 42.170 42.374 -0.204 17827 1014 1 3 . 1 1 10 10 LEU H H 3 8.057 8.057 8.236 -0.179 17827 1015 1 3 . 1 1 11 11 ASP N N 4 119.766 119.766 118.810 0.956 17827 1016 1 3 . 1 1 11 11 ASP HA H 4 4.475 4.475 4.266 0.209 17827 1017 1 3 . 1 1 11 11 ASP C C 4 176.509 176.509 175.783 0.726 17827 1018 1 3 . 1 1 11 11 ASP CA C 4 54.550 54.550 55.170 -0.620 17827 1019 1 3 . 1 1 11 11 ASP CB C 4 40.950 40.950 40.585 0.365 17827 1020 1 3 . 1 1 11 11 ASP H H 4 8.145 8.145 8.808 -0.663 17827 1021 1 3 . 1 1 12 12 GLY N N 5 108.440 108.440 103.584 4.856 17827 1022 1 3 . 1 1 12 12 GLY C C 5 173.692 173.692 174.989 -1.297 17827 1023 1 3 . 1 1 12 12 GLY CA C 5 45.310 45.310 44.282 1.028 17827 1024 1 3 . 1 1 12 12 GLY H H 5 8.110 8.110 7.889 0.221 17827 1025 1 3 . 1 1 13 13 ILE N N 6 119.766 119.766 121.929 -2.163 17827 1026 1 3 . 1 1 13 13 ILE HA H 6 4.100 4.100 3.699 0.401 17827 1027 1 3 . 1 1 13 13 ILE C C 6 175.525 175.525 176.069 -0.544 17827 1028 1 3 . 1 1 13 13 ILE CA C 6 60.710 60.710 63.604 -2.894 17827 1029 1 3 . 1 1 13 13 ILE CB C 6 38.430 38.430 38.126 0.304 17827 1030 1 3 . 1 1 13 13 ILE H H 6 7.790 7.790 8.135 -0.345 17827 1031 1 3 . 1 1 14 14 ARG N N 7 125.657 125.657 116.586 9.071 17827 1032 1 3 . 1 1 14 14 ARG HA H 7 4.210 4.210 4.360 -0.150 17827 1033 1 3 . 1 1 14 14 ARG C C 7 175.810 175.810 175.335 0.475 17827 1034 1 3 . 1 1 14 14 ARG CA C 7 55.640 55.640 56.854 -1.214 17827 1035 1 3 . 1 1 14 14 ARG CB C 7 30.990 30.990 31.781 -0.791 17827 1036 1 3 . 1 1 14 14 ARG H H 7 8.410 8.410 8.083 0.327 17827 1037 1 3 . 1 1 15 15 MET N N 8 123.598 123.598 117.146 6.452 17827 1038 1 3 . 1 1 15 15 MET HA H 8 4.210 4.210 4.767 -0.557 17827 1039 1 3 . 1 1 15 15 MET C C 8 174.950 174.950 175.278 -0.328 17827 1040 1 3 . 1 1 15 15 MET CA C 8 55.330 55.330 56.879 -1.549 17827 1041 1 3 . 1 1 15 15 MET CB C 8 31.730 31.730 31.500 0.230 17827 1042 1 3 . 1 1 15 15 MET H H 8 8.495 8.495 7.664 0.831 17827 1043 1 3 . 1 1 16 16 PRO HA H 9 4.290 4.290 4.269 0.021 17827 1044 1 3 . 1 1 16 16 PRO C C 9 176.228 176.228 176.388 -0.160 17827 1045 1 3 . 1 1 16 16 PRO CA C 9 63.370 63.370 64.850 -1.480 17827 1046 1 3 . 1 1 16 16 PRO CB C 9 31.820 31.820 31.230 0.590 17827 1047 1 3 . 1 1 17 17 ASP N N 10 117.952 117.952 114.210 3.742 17827 1048 1 3 . 1 1 17 17 ASP HA H 10 4.420 4.420 4.701 -0.281 17827 1049 1 3 . 1 1 17 17 ASP C C 10 176.714 176.714 175.750 0.964 17827 1050 1 3 . 1 1 17 17 ASP CA C 10 54.130 54.130 54.070 0.060 17827 1051 1 3 . 1 1 17 17 ASP CB C 10 40.430 40.430 40.412 0.018 17827 1052 1 3 . 1 1 17 17 ASP H H 10 8.076 8.076 8.006 0.070 17827 1053 1 3 . 1 1 18 18 GLY N N 11 108.663 108.663 106.079 2.584 17827 1054 1 3 . 1 1 18 18 GLY C C 11 173.819 173.819 174.800 -0.981 17827 1055 1 3 . 1 1 18 18 GLY CA C 11 45.300 45.300 45.514 -0.214 17827 1056 1 3 . 1 1 18 18 GLY H H 11 8.255 8.255 8.094 0.161 17827 1057 1 3 . 1 1 19 19 CYS N N 12 118.179 118.179 120.267 -2.088 17827 1058 1 3 . 1 1 19 19 CYS HA H 12 4.550 4.550 4.267 0.283 17827 1059 1 3 . 1 1 19 19 CYS C C 12 174.073 174.073 174.305 -0.232 17827 1060 1 3 . 1 1 19 19 CYS CA C 12 58.420 58.420 62.657 -4.237 17827 1061 1 3 . 1 1 19 19 CYS CB C 12 28.400 28.400 27.990 0.410 17827 1062 1 3 . 1 1 19 19 CYS H H 12 7.850 7.850 8.736 -0.886 17827 1063 1 3 . 1 1 20 20 TYR N N 13 120.897 120.897 117.222 3.675 17827 1064 1 3 . 1 1 20 20 TYR HA H 13 4.550 4.550 4.584 -0.034 17827 1065 1 3 . 1 1 20 20 TYR C C 13 176.748 176.748 175.353 1.395 17827 1066 1 3 . 1 1 20 20 TYR CA C 13 58.470 58.470 57.662 0.808 17827 1067 1 3 . 1 1 20 20 TYR CB C 13 39.210 39.210 39.773 -0.563 17827 1068 1 3 . 1 1 20 20 TYR H H 13 8.550 8.550 7.753 0.797 17827 1069 1 3 . 1 1 21 21 ALA N N 14 124.750 124.750 122.774 1.976 17827 1070 1 3 . 1 1 21 21 ALA HA H 14 4.190 4.190 4.087 0.103 17827 1071 1 3 . 1 1 21 21 ALA C C 14 177.181 177.181 177.138 0.043 17827 1072 1 3 . 1 1 21 21 ALA CA C 14 53.530 53.530 54.272 -0.742 17827 1073 1 3 . 1 1 21 21 ALA CB C 14 18.630 18.630 19.048 -0.418 17827 1074 1 3 . 1 1 21 21 ALA H H 14 8.615 8.615 8.138 0.477 17827 1075 1 3 . 1 1 22 22 ASP N N 15 117.500 117.500 115.753 1.747 17827 1076 1 3 . 1 1 22 22 ASP HA H 15 4.480 4.480 4.635 -0.155 17827 1077 1 3 . 1 1 22 22 ASP C C 15 176.708 176.708 176.719 -0.011 17827 1078 1 3 . 1 1 22 22 ASP CA C 15 53.500 53.500 54.267 -0.766 17827 1079 1 3 . 1 1 22 22 ASP CB C 15 40.730 40.730 42.289 -1.560 17827 1080 1 3 . 1 1 22 22 ASP H H 15 7.960 7.960 8.176 -0.216 17827 1081 1 3 . 1 1 23 23 GLY N N 16 108.891 108.891 108.278 0.613 17827 1082 1 3 . 1 1 23 23 GLY C C 16 174.373 174.373 173.627 0.746 17827 1083 1 3 . 1 1 23 23 GLY CA C 16 45.370 45.370 45.655 -0.285 17827 1084 1 3 . 1 1 23 23 GLY H H 16 8.344 8.344 8.227 0.117 17827 1085 1 3 . 1 1 24 24 THR N N 17 110.929 110.929 110.591 0.338 17827 1086 1 3 . 1 1 24 24 THR HA H 17 4.640 4.640 4.497 0.143 17827 1087 1 3 . 1 1 24 24 THR C C 17 173.620 173.620 172.530 1.090 17827 1088 1 3 . 1 1 24 24 THR CA C 17 60.540 60.540 60.487 0.053 17827 1089 1 3 . 1 1 24 24 THR CB C 17 72.100 72.100 69.324 2.776 17827 1090 1 3 . 1 1 24 24 THR H H 17 7.850 7.850 7.765 0.085 17827 1091 1 3 . 1 1 25 25 TRP N N 18 117.728 117.728 118.774 -1.046 17827 1092 1 3 . 1 1 25 25 TRP HA H 18 4.945 4.945 5.081 -0.136 17827 1093 1 3 . 1 1 25 25 TRP C C 18 174.164 174.164 174.043 0.121 17827 1094 1 3 . 1 1 25 25 TRP CA C 18 54.620 54.620 56.265 -1.645 17827 1095 1 3 . 1 1 25 25 TRP CB C 18 30.650 30.650 31.082 -0.432 17827 1096 1 3 . 1 1 25 25 TRP H H 18 8.640 8.640 7.974 0.666 17827 1097 1 3 . 1 1 26 26 GLU N N 19 117.728 117.728 118.162 -0.434 17827 1098 1 3 . 1 1 26 26 GLU HA H 19 4.851 4.851 4.799 0.052 17827 1099 1 3 . 1 1 26 26 GLU C C 19 174.786 174.786 174.590 0.196 17827 1100 1 3 . 1 1 26 26 GLU CA C 19 55.710 55.710 54.754 0.956 17827 1101 1 3 . 1 1 26 26 GLU CB C 19 31.500 31.500 32.403 -0.903 17827 1102 1 3 . 1 1 26 26 GLU H H 19 8.744 8.744 8.485 0.259 17827 1103 1 3 . 1 1 27 27 LEU N N 20 126.668 126.668 119.392 7.276 17827 1104 1 3 . 1 1 27 27 LEU HA H 20 4.880 4.880 4.759 0.121 17827 1105 1 3 . 1 1 27 27 LEU C C 20 175.123 175.123 175.335 -0.212 17827 1106 1 3 . 1 1 27 27 LEU CA C 20 53.252 53.252 53.550 -0.298 17827 1107 1 3 . 1 1 27 27 LEU CB C 20 45.280 45.280 46.844 -1.564 17827 1108 1 3 . 1 1 27 27 LEU H H 20 8.980 8.980 8.745 0.235 17827 1109 1 3 . 1 1 28 28 SER N N 21 121.804 121.804 117.475 4.329 17827 1110 1 3 . 1 1 28 28 SER HA H 21 4.894 4.894 5.119 -0.225 17827 1111 1 3 . 1 1 28 28 SER C C 21 173.483 173.483 172.851 0.632 17827 1112 1 3 . 1 1 28 28 SER CA C 21 57.880 57.880 56.694 1.186 17827 1113 1 3 . 1 1 28 28 SER CB C 21 63.920 63.920 64.507 -0.587 17827 1114 1 3 . 1 1 28 28 SER H H 21 8.785 8.785 8.496 0.289 17827 1115 1 3 . 1 1 29 29 VAL N N 22 125.881 125.881 122.074 3.807 17827 1116 1 3 . 1 1 29 29 VAL HA H 22 4.370 4.370 4.456 -0.086 17827 1117 1 3 . 1 1 29 29 VAL C C 22 173.953 173.953 174.597 -0.644 17827 1118 1 3 . 1 1 29 29 VAL CA C 22 60.440 60.440 60.202 0.238 17827 1119 1 3 . 1 1 29 29 VAL CB C 22 34.350 34.350 35.253 -0.903 17827 1120 1 3 . 1 1 29 29 VAL H H 22 8.865 8.865 8.421 0.444 17827 1121 1 3 . 1 1 30 30 HIS N N 23 126.560 126.560 123.358 3.202 17827 1122 1 3 . 1 1 30 30 HIS HA H 23 5.220 5.220 4.805 0.415 17827 1123 1 3 . 1 1 30 30 HIS C C 23 174.596 174.596 173.951 0.645 17827 1124 1 3 . 1 1 30 30 HIS CA C 23 55.250 55.250 55.379 -0.129 17827 1125 1 3 . 1 1 30 30 HIS CB C 23 30.550 30.550 33.102 -2.552 17827 1126 1 3 . 1 1 30 30 HIS H H 23 8.810 8.810 8.544 0.266 17827 1127 1 3 . 1 1 31 31 VAL N N 24 130.587 130.587 127.015 3.572 17827 1128 1 3 . 1 1 31 31 VAL HA H 24 5.230 5.230 4.663 0.567 17827 1129 1 3 . 1 1 31 31 VAL C C 24 177.426 177.426 177.017 0.409 17827 1130 1 3 . 1 1 31 31 VAL CA C 24 55.530 55.530 61.398 -5.867 17827 1131 1 3 . 1 1 31 31 VAL CB C 24 31.040 31.040 30.597 0.443 17827 1132 1 3 . 1 1 31 31 VAL H H 24 9.043 9.043 8.578 0.465 17827 1133 1 3 . 1 1 32 32 THR N N 25 122.484 122.484 121.106 1.378 17827 1134 1 3 . 1 1 32 32 THR HA H 25 3.970 3.970 4.276 -0.306 17827 1135 1 3 . 1 1 32 32 THR C C 25 177.437 177.437 175.449 1.988 17827 1136 1 3 . 1 1 32 32 THR CA C 25 66.470 66.470 65.224 1.246 17827 1137 1 3 . 1 1 32 32 THR CB C 25 68.220 68.220 69.454 -1.234 17827 1138 1 3 . 1 1 32 32 THR H H 25 8.245 8.245 8.801 -0.556 17827 1139 1 3 . 1 1 34 34 VAL N N 27 114.090 114.090 116.205 -2.115 17827 1140 1 3 . 1 1 34 34 VAL HA H 27 4.500 4.500 4.105 0.395 17827 1141 1 3 . 1 1 34 34 VAL CA C 27 54.220 54.220 62.341 -8.121 17827 1142 1 3 . 1 1 34 34 VAL CB C 27 27.060 27.060 34.230 -7.170 17827 1143 1 3 . 1 1 34 34 VAL H H 27 6.977 6.977 7.330 -0.353 17827 1144 1 3 . 1 1 35 35 ASN N N 28 116.829 116.829 116.397 0.432 17827 1145 1 3 . 1 1 35 35 ASN HA H 28 4.299 4.299 4.460 -0.161 17827 1146 1 3 . 1 1 35 35 ASN CA C 28 53.650 53.650 54.312 -0.662 17827 1147 1 3 . 1 1 35 35 ASN CB C 28 37.110 37.110 37.265 -0.155 17827 1148 1 3 . 1 1 35 35 ASN H H 28 7.897 7.897 7.986 -0.089 17827 1149 1 3 . 1 1 36 36 ARG N N 29 114.310 114.310 116.948 -2.638 17827 1150 1 3 . 1 1 36 36 ARG HA H 29 4.700 4.700 4.692 0.008 17827 1151 1 3 . 1 1 36 36 ARG C C 29 173.347 173.347 173.892 -0.545 17827 1152 1 3 . 1 1 36 36 ARG CA C 29 54.900 54.900 54.578 0.322 17827 1153 1 3 . 1 1 36 36 ARG CB C 29 34.700 34.700 32.285 2.415 17827 1154 1 3 . 1 1 36 36 ARG H H 29 6.787 6.787 7.653 -0.866 17827 1155 1 3 . 1 1 37 37 ASP N N 30 124.071 124.071 117.854 6.217 17827 1156 1 3 . 1 1 37 37 ASP HA H 30 5.475 5.475 4.681 0.794 17827 1157 1 3 . 1 1 37 37 ASP C C 30 175.354 175.354 174.739 0.615 17827 1158 1 3 . 1 1 37 37 ASP CA C 30 53.660 53.660 53.283 0.377 17827 1159 1 3 . 1 1 37 37 ASP CB C 30 42.260 42.260 42.814 -0.554 17827 1160 1 3 . 1 1 37 37 ASP H H 30 8.760 8.760 8.345 0.415 17827 1161 1 3 . 1 1 38 38 VAL N N 31 123.300 123.300 118.346 4.954 17827 1162 1 3 . 1 1 38 38 VAL HA H 31 4.270 4.270 4.508 -0.238 17827 1163 1 3 . 1 1 38 38 VAL C C 31 174.203 174.203 174.500 -0.297 17827 1164 1 3 . 1 1 38 38 VAL CA C 31 60.700 60.700 59.879 0.821 17827 1165 1 3 . 1 1 38 38 VAL CB C 31 34.620 34.620 36.186 -1.566 17827 1166 1 3 . 1 1 38 38 VAL H H 31 9.187 9.187 7.995 1.192 17827 1167 1 3 . 1 1 39 39 THR N N 32 119.766 119.766 114.095 5.671 17827 1168 1 3 . 1 1 39 39 THR HA H 32 5.095 5.095 4.964 0.131 17827 1169 1 3 . 1 1 39 39 THR C C 32 173.547 173.547 173.115 0.432 17827 1170 1 3 . 1 1 39 39 THR CA C 32 60.550 60.550 60.228 0.322 17827 1171 1 3 . 1 1 39 39 THR CB C 32 70.170 70.170 71.035 -0.865 17827 1172 1 3 . 1 1 39 39 THR H H 32 8.360 8.360 8.106 0.254 17827 1173 1 3 . 1 1 40 40 LEU N N 33 124.522 124.522 122.623 1.899 17827 1174 1 3 . 1 1 40 40 LEU HA H 33 4.590 4.590 4.625 -0.035 17827 1175 1 3 . 1 1 40 40 LEU C C 33 174.691 174.691 175.726 -1.035 17827 1176 1 3 . 1 1 40 40 LEU CA C 33 52.580 52.580 53.705 -1.125 17827 1177 1 3 . 1 1 40 40 LEU CB C 33 45.410 45.410 44.294 1.117 17827 1178 1 3 . 1 1 40 40 LEU H H 33 8.750 8.750 8.139 0.611 17827 1179 1 3 . 1 1 41 41 ARG N N 34 122.712 122.712 124.786 -2.074 17827 1180 1 3 . 1 1 41 41 ARG HA H 34 4.680 4.680 4.684 -0.004 17827 1181 1 3 . 1 1 41 41 ARG C C 34 175.700 175.700 174.413 1.287 17827 1182 1 3 . 1 1 41 41 ARG CA C 34 55.420 55.420 55.051 0.369 17827 1183 1 3 . 1 1 41 41 ARG CB C 34 29.500 29.500 29.507 -0.007 17827 1184 1 3 . 1 1 41 41 ARG H H 34 8.345 8.345 8.765 -0.420 17827 1185 1 3 . 1 1 42 42 VAL N N 35 117.728 117.728 117.541 0.187 17827 1186 1 3 . 1 1 42 42 VAL HA H 35 4.465 4.465 4.535 -0.070 17827 1187 1 3 . 1 1 42 42 VAL C C 35 173.184 173.184 173.764 -0.580 17827 1188 1 3 . 1 1 42 42 VAL CA C 35 58.670 58.670 59.160 -0.490 17827 1189 1 3 . 1 1 42 42 VAL CB C 35 36.050 36.050 35.471 0.579 17827 1190 1 3 . 1 1 42 42 VAL H H 35 8.640 8.640 7.882 0.758 17827 1191 1 3 . 1 1 43 43 THR N N 36 104.359 104.359 108.762 -4.403 17827 1192 1 3 . 1 1 43 43 THR HA H 36 4.660 4.660 2.380 2.280 17827 1193 1 3 . 1 1 43 43 THR C C 36 174.862 174.862 174.851 0.011 17827 1194 1 3 . 1 1 43 43 THR CA C 36 59.010 59.010 59.565 -0.555 17827 1195 1 3 . 1 1 43 43 THR CB C 36 71.570 71.570 71.189 0.381 17827 1196 1 3 . 1 1 43 43 THR H H 36 6.220 6.220 7.846 -1.626 17827 1197 1 3 . 1 1 44 44 GLY N N 37 105.946 105.946 107.119 -1.173 17827 1198 1 3 . 1 1 44 44 GLY C C 37 173.394 173.394 174.497 -1.103 17827 1199 1 3 . 1 1 44 44 GLY CA C 37 46.830 46.830 46.620 0.210 17827 1200 1 3 . 1 1 44 44 GLY H H 37 9.160 9.160 8.393 0.767 17827 1201 1 3 . 1 1 45 45 GLU N N 38 113.875 113.875 117.228 -3.353 17827 1202 1 3 . 1 1 45 45 GLU HA H 38 4.290 4.290 4.229 0.061 17827 1203 1 3 . 1 1 45 45 GLU C C 38 176.167 176.167 176.380 -0.213 17827 1204 1 3 . 1 1 45 45 GLU CA C 38 55.500 55.500 56.029 -0.529 17827 1205 1 3 . 1 1 45 45 GLU CB C 38 30.950 30.950 29.857 1.093 17827 1206 1 3 . 1 1 45 45 GLU H H 38 7.500 7.500 7.257 0.243 17827 1207 1 3 . 1 1 46 46 VAL N N 39 121.577 121.577 122.217 -0.640 17827 1208 1 3 . 1 1 46 46 VAL HA H 39 3.820 3.820 3.919 -0.099 17827 1209 1 3 . 1 1 46 46 VAL C C 39 174.651 174.651 175.093 -0.442 17827 1210 1 3 . 1 1 46 46 VAL CA C 39 63.920 63.920 61.913 2.007 17827 1211 1 3 . 1 1 46 46 VAL CB C 39 31.590 31.590 32.932 -1.342 17827 1212 1 3 . 1 1 46 46 VAL H H 39 7.260 7.260 7.690 -0.430 17827 1213 1 3 . 1 1 47 47 HIS N N 40 123.391 123.391 126.609 -3.218 17827 1214 1 3 . 1 1 47 47 HIS HA H 40 5.212 5.212 4.651 0.561 17827 1215 1 3 . 1 1 47 47 HIS C C 40 177.440 177.440 176.400 1.040 17827 1216 1 3 . 1 1 47 47 HIS CA C 40 54.660 54.660 55.850 -1.190 17827 1217 1 3 . 1 1 47 47 HIS CB C 40 30.910 30.910 30.825 0.085 17827 1218 1 3 . 1 1 47 47 HIS H H 40 8.285 8.285 8.414 -0.129 17827 1219 1 3 . 1 1 48 48 ILE N N 41 124.071 124.071 124.420 -0.349 17827 1220 1 3 . 1 1 48 48 ILE HA H 41 3.530 3.530 3.820 -0.290 17827 1221 1 3 . 1 1 48 48 ILE C C 41 178.941 178.941 177.597 1.344 17827 1222 1 3 . 1 1 48 48 ILE CA C 41 62.330 62.330 65.572 -3.242 17827 1223 1 3 . 1 1 48 48 ILE CB C 41 34.230 34.230 37.875 -3.645 17827 1224 1 3 . 1 1 48 48 ILE H H 41 8.863 8.863 8.367 0.496 17827 1225 1 3 . 1 1 49 49 GLY N N 42 106.853 106.853 104.448 2.405 17827 1226 1 3 . 1 1 49 49 GLY C C 42 175.669 175.669 175.374 0.295 17827 1227 1 3 . 1 1 49 49 GLY CA C 42 45.320 45.320 46.222 -0.902 17827 1228 1 3 . 1 1 49 49 GLY H H 42 9.720 9.720 8.708 1.012 17827 1229 1 3 . 1 1 50 50 GLY N N 43 109.571 109.571 109.125 0.446 17827 1230 1 3 . 1 1 50 50 GLY C C 43 175.847 175.847 175.640 0.207 17827 1231 1 3 . 1 1 50 50 GLY CA C 43 47.000 47.000 45.679 1.321 17827 1232 1 3 . 1 1 50 50 GLY H H 43 6.950 6.950 8.179 -1.229 17827 1233 1 3 . 1 1 51 51 VAL N N 44 123.163 123.163 124.730 -1.567 17827 1234 1 3 . 1 1 51 51 VAL HA H 44 3.115 3.115 3.663 -0.548 17827 1235 1 3 . 1 1 51 51 VAL C C 44 176.804 176.804 178.071 -1.267 17827 1236 1 3 . 1 1 51 51 VAL CA C 44 66.660 66.660 66.968 -0.308 17827 1237 1 3 . 1 1 51 51 VAL CB C 44 30.730 30.730 31.761 -1.031 17827 1238 1 3 . 1 1 51 51 VAL H H 44 7.860 7.860 8.724 -0.864 17827 1239 1 3 . 1 1 52 52 MET N N 45 115.913 115.913 117.378 -1.465 17827 1240 1 3 . 1 1 52 52 MET HA H 45 3.410 3.410 4.268 -0.858 17827 1241 1 3 . 1 1 52 52 MET C C 45 176.881 176.881 178.283 -1.402 17827 1242 1 3 . 1 1 52 52 MET CA C 45 59.830 59.830 59.618 0.212 17827 1243 1 3 . 1 1 52 52 MET CB C 45 32.310 32.310 31.852 0.458 17827 1244 1 3 . 1 1 52 52 MET H H 45 7.940 7.940 7.788 0.152 17827 1245 1 3 . 1 1 53 53 LEU N N 46 118.291 118.291 121.688 -3.397 17827 1246 1 3 . 1 1 53 53 LEU HA H 46 3.940 3.940 4.060 -0.120 17827 1247 1 3 . 1 1 53 53 LEU C C 46 179.178 179.178 179.338 -0.160 17827 1248 1 3 . 1 1 53 53 LEU CA C 46 58.500 58.500 58.103 0.397 17827 1249 1 3 . 1 1 53 53 LEU CB C 46 41.930 41.930 41.089 0.841 17827 1250 1 3 . 1 1 53 53 LEU H H 46 7.550 7.550 7.762 -0.212 17827 1251 1 3 . 1 1 54 54 LYS N N 47 118.142 118.142 119.258 -1.116 17827 1252 1 3 . 1 1 54 54 LYS HA H 47 3.870 3.870 4.203 -0.333 17827 1253 1 3 . 1 1 54 54 LYS C C 47 178.616 178.616 179.354 -0.738 17827 1254 1 3 . 1 1 54 54 LYS CA C 47 57.980 57.980 59.116 -1.136 17827 1255 1 3 . 1 1 54 54 LYS CB C 47 32.320 32.320 32.076 0.244 17827 1256 1 3 . 1 1 54 54 LYS H H 47 7.665 7.665 8.506 -0.841 17827 1257 1 3 . 1 1 55 55 LEU N N 48 119.385 119.385 120.590 -1.205 17827 1258 1 3 . 1 1 55 55 LEU HA H 48 3.570 3.570 4.322 -0.752 17827 1259 1 3 . 1 1 55 55 LEU C C 48 177.405 177.405 177.979 -0.574 17827 1260 1 3 . 1 1 55 55 LEU CA C 48 57.790 57.790 57.947 -0.157 17827 1261 1 3 . 1 1 55 55 LEU CB C 48 41.590 41.590 41.965 -0.375 17827 1262 1 3 . 1 1 55 55 LEU H H 48 7.975 7.975 7.886 0.089 17827 1263 1 3 . 1 1 56 56 VAL N N 49 116.141 116.141 120.035 -3.894 17827 1264 1 3 . 1 1 56 56 VAL HA H 49 2.990 2.990 3.702 -0.712 17827 1265 1 3 . 1 1 56 56 VAL C C 49 178.564 178.564 178.331 0.233 17827 1266 1 3 . 1 1 56 56 VAL CA C 49 66.310 66.310 67.111 -0.801 17827 1267 1 3 . 1 1 56 56 VAL CB C 49 31.300 31.300 31.792 -0.492 17827 1268 1 3 . 1 1 56 56 VAL H H 49 7.615 7.615 9.067 -1.452 17827 1269 1 3 . 1 1 57 57 GLU N N 50 118.631 118.631 117.696 0.935 17827 1270 1 3 . 1 1 57 57 GLU HA H 50 3.965 3.965 4.088 -0.123 17827 1271 1 3 . 1 1 57 57 GLU C C 50 178.030 178.030 177.907 0.123 17827 1272 1 3 . 1 1 57 57 GLU CA C 50 58.500 58.500 58.932 -0.432 17827 1273 1 3 . 1 1 57 57 GLU CB C 50 29.610 29.610 29.642 -0.032 17827 1274 1 3 . 1 1 57 57 GLU H H 50 7.575 7.575 8.732 -1.157 17827 1275 1 3 . 1 1 58 58 LYS N N 51 117.053 117.053 118.205 -1.152 17827 1276 1 3 . 1 1 58 58 LYS HA H 51 4.130 4.130 4.046 0.084 17827 1277 1 3 . 1 1 58 58 LYS C C 51 176.956 176.956 178.274 -1.318 17827 1278 1 3 . 1 1 58 58 LYS CA C 51 56.660 56.660 58.471 -1.811 17827 1279 1 3 . 1 1 58 58 LYS CB C 51 32.660 32.660 32.877 -0.217 17827 1280 1 3 . 1 1 58 58 LYS H H 51 7.490 7.490 7.548 -0.058 17827 1281 1 3 . 1 1 59 59 LEU N N 52 119.460 119.460 118.946 0.514 17827 1282 1 3 . 1 1 59 59 LEU HA H 52 4.122 4.122 4.120 0.002 17827 1283 1 3 . 1 1 59 59 LEU C C 52 176.645 176.645 176.954 -0.309 17827 1284 1 3 . 1 1 59 59 LEU CA C 52 56.660 56.660 55.452 1.208 17827 1285 1 3 . 1 1 59 59 LEU CB C 52 42.700 42.700 42.200 0.500 17827 1286 1 3 . 1 1 59 59 LEU H H 52 7.470 7.470 7.969 -0.499 17827 1287 1 3 . 1 1 62 62 LYS C C 55 175.670 175.670 176.530 -0.860 17827 1288 1 3 . 1 1 63 63 LYS N N 56 122.430 122.430 121.723 0.707 17827 1289 1 3 . 1 1 63 63 LYS HA H 56 4.030 4.030 4.358 -0.328 17827 1290 1 3 . 1 1 63 63 LYS C C 56 172.850 172.850 175.894 -3.044 17827 1291 1 3 . 1 1 63 63 LYS CA C 56 54.530 54.530 56.384 -1.854 17827 1292 1 3 . 1 1 63 63 LYS CB C 56 34.440 34.440 33.106 1.334 17827 1293 1 3 . 1 1 63 63 LYS H H 56 7.245 7.245 7.506 -0.261 17827 1294 1 3 . 1 1 64 64 ASP N N 57 118.867 118.867 123.199 -4.332 17827 1295 1 3 . 1 1 64 64 ASP HA H 57 4.530 4.530 3.935 0.595 17827 1296 1 3 . 1 1 64 64 ASP C C 57 176.710 176.710 175.620 1.090 17827 1297 1 3 . 1 1 64 64 ASP CA C 57 52.500 52.500 54.127 -1.627 17827 1298 1 3 . 1 1 64 64 ASP CB C 57 40.320 40.320 40.639 -0.319 17827 1299 1 3 . 1 1 64 64 ASP H H 57 7.867 7.867 8.025 -0.158 17827 1300 1 3 . 1 1 65 65 TRP N N 58 128.827 128.827 121.293 7.534 17827 1301 1 3 . 1 1 65 65 TRP HA H 58 4.540 4.540 4.703 -0.163 17827 1302 1 3 . 1 1 65 65 TRP C C 58 178.390 178.390 176.964 1.426 17827 1303 1 3 . 1 1 65 65 TRP CA C 58 52.860 52.860 59.066 -6.206 17827 1304 1 3 . 1 1 65 65 TRP CB C 58 29.420 29.420 29.159 0.261 17827 1305 1 3 . 1 1 65 65 TRP H H 58 8.790 8.790 7.842 0.948 17827 1306 1 3 . 1 1 66 66 SER N N 59 117.724 117.724 113.898 3.826 17827 1307 1 3 . 1 1 66 66 SER HA H 59 4.143 4.143 4.501 -0.358 17827 1308 1 3 . 1 1 66 66 SER C C 59 174.471 174.471 175.121 -0.650 17827 1309 1 3 . 1 1 66 66 SER CA C 59 62.350 62.350 59.739 2.611 17827 1310 1 3 . 1 1 66 66 SER CB C 59 63.110 63.110 63.249 -0.140 17827 1311 1 3 . 1 1 66 66 SER H H 59 8.637 8.637 8.005 0.632 17827 1312 1 3 . 1 1 67 67 ASP N N 60 121.042 121.042 121.477 -0.435 17827 1313 1 3 . 1 1 67 67 ASP C C 60 176.206 176.206 176.620 -0.414 17827 1314 1 3 . 1 1 67 67 ASP CB C 60 42.560 42.560 41.017 1.543 17827 1315 1 3 . 1 1 67 67 ASP H H 60 8.895 8.895 8.531 0.364 17827 1316 1 3 . 1 1 68 68 HIS N N 61 121.519 121.519 117.190 4.329 17827 1317 1 3 . 1 1 68 68 HIS HA H 61 4.490 4.490 4.450 0.040 17827 1318 1 3 . 1 1 68 68 HIS C C 61 174.546 174.546 174.166 0.380 17827 1319 1 3 . 1 1 68 68 HIS CA C 61 57.940 57.940 55.888 2.052 17827 1320 1 3 . 1 1 68 68 HIS CB C 61 39.410 39.410 30.955 8.455 17827 1321 1 3 . 1 1 68 68 HIS H H 61 7.958 7.958 7.477 0.481 17827 1322 1 3 . 1 1 69 69 ALA N N 62 122.256 122.256 117.814 4.442 17827 1323 1 3 . 1 1 69 69 ALA C C 62 175.294 175.294 174.584 0.710 17827 1324 1 3 . 1 1 69 69 ALA CB C 62 22.470 22.470 22.441 0.029 17827 1325 1 3 . 1 1 69 69 ALA H H 62 8.575 8.575 8.546 0.029 17827 1326 1 3 . 1 1 70 70 LEU N N 63 118.904 118.904 120.267 -1.363 17827 1327 1 3 . 1 1 70 70 LEU HA H 63 5.654 5.654 4.963 0.691 17827 1328 1 3 . 1 1 70 70 LEU C C 63 174.445 174.445 176.499 -2.054 17827 1329 1 3 . 1 1 70 70 LEU CA C 63 53.930 53.930 53.118 0.812 17827 1330 1 3 . 1 1 70 70 LEU CB C 63 44.300 44.300 42.788 1.512 17827 1331 1 3 . 1 1 70 70 LEU H H 63 9.150 9.150 8.676 0.474 17827 1332 1 3 . 1 1 71 71 TRP N N 64 125.367 125.367 126.817 -1.450 17827 1333 1 3 . 1 1 71 71 TRP C C 64 174.010 174.010 175.428 -1.418 17827 1334 1 3 . 1 1 71 71 TRP CB C 64 32.210 32.210 30.966 1.244 17827 1335 1 3 . 1 1 71 71 TRP H H 64 9.590 9.590 8.558 1.032 17827 1336 1 3 . 1 1 72 72 TRP N N 65 129.982 129.982 128.987 0.995 17827 1337 1 3 . 1 1 72 72 TRP HA H 65 4.980 4.980 4.886 0.094 17827 1338 1 3 . 1 1 72 72 TRP C C 65 174.335 174.335 176.426 -2.091 17827 1339 1 3 . 1 1 72 72 TRP CA C 65 51.440 51.440 53.928 -2.488 17827 1340 1 3 . 1 1 72 72 TRP CB C 65 30.490 30.490 30.340 0.149 17827 1341 1 3 . 1 1 72 72 TRP H H 65 8.277 8.277 9.124 -0.847 17827 1342 1 3 . 1 1 73 73 GLU N N 66 129.112 129.112 128.225 0.887 17827 1343 1 3 . 1 1 73 73 GLU HA H 66 3.300 3.300 3.784 -0.484 17827 1344 1 3 . 1 1 73 73 GLU C C 66 178.595 178.595 178.086 0.509 17827 1345 1 3 . 1 1 73 73 GLU CA C 66 59.920 59.920 59.758 0.162 17827 1346 1 3 . 1 1 73 73 GLU CB C 66 29.060 29.060 29.245 -0.185 17827 1347 1 3 . 1 1 73 73 GLU H H 66 8.969 8.969 8.778 0.191 17827 1348 1 3 . 1 1 74 74 LYS N N 67 117.492 117.492 118.814 -1.322 17827 1349 1 3 . 1 1 74 74 LYS HA H 67 3.702 3.702 3.741 -0.039 17827 1350 1 3 . 1 1 74 74 LYS C C 67 176.361 176.361 178.101 -1.740 17827 1351 1 3 . 1 1 74 74 LYS CA C 67 58.660 58.660 58.881 -0.221 17827 1352 1 3 . 1 1 74 74 LYS CB C 67 32.020 32.020 31.473 0.547 17827 1353 1 3 . 1 1 74 74 LYS H H 67 7.860 7.860 8.119 -0.259 17827 1354 1 3 . 1 1 75 75 LYS N N 68 121.233 121.233 114.777 6.456 17827 1355 1 3 . 1 1 75 75 LYS HA H 68 3.935 3.935 4.216 -0.281 17827 1356 1 3 . 1 1 75 75 LYS C C 68 174.183 174.183 175.898 -1.715 17827 1357 1 3 . 1 1 75 75 LYS CA C 68 53.400 53.400 55.501 -2.101 17827 1358 1 3 . 1 1 75 75 LYS CB C 68 32.200 32.200 32.824 -0.624 17827 1359 1 3 . 1 1 75 75 LYS H H 68 7.500 7.500 7.064 0.436 17827 1360 1 3 . 1 1 76 76 ARG N N 69 121.125 121.125 116.768 4.357 17827 1361 1 3 . 1 1 76 76 ARG HA H 69 2.890 2.890 4.018 -1.128 17827 1362 1 3 . 1 1 76 76 ARG C C 69 173.984 173.984 175.876 -1.892 17827 1363 1 3 . 1 1 76 76 ARG CA C 69 56.316 56.316 57.278 -0.962 17827 1364 1 3 . 1 1 76 76 ARG CB C 69 27.090 27.090 26.886 0.204 17827 1365 1 3 . 1 1 76 76 ARG H H 69 7.500 7.500 8.315 -0.815 17827 1366 1 3 . 1 1 77 77 THR N N 70 110.478 110.478 112.296 -1.818 17827 1367 1 3 . 1 1 77 77 THR HA H 70 4.650 4.650 3.557 1.093 17827 1368 1 3 . 1 1 77 77 THR C C 70 171.846 171.846 172.375 -0.529 17827 1369 1 3 . 1 1 77 77 THR CA C 70 61.630 61.630 59.448 2.182 17827 1370 1 3 . 1 1 77 77 THR CB C 70 72.210 72.210 70.257 1.953 17827 1371 1 3 . 1 1 77 77 THR H H 70 6.280 6.280 7.645 -1.365 17827 1372 1 3 . 1 1 78 78 TRP N N 71 127.244 127.244 119.094 8.150 17827 1373 1 3 . 1 1 78 78 TRP HA H 71 4.750 4.750 5.515 -0.765 17827 1374 1 3 . 1 1 78 78 TRP C C 71 177.303 177.303 175.859 1.444 17827 1375 1 3 . 1 1 78 78 TRP CA C 71 56.240 56.240 55.544 0.696 17827 1376 1 3 . 1 1 78 78 TRP CB C 71 30.500 30.500 32.526 -2.026 17827 1377 1 3 . 1 1 78 78 TRP H H 71 8.795 8.795 8.057 0.738 17827 1378 1 3 . 1 1 79 79 LEU N N 72 125.202 125.202 122.404 2.798 17827 1379 1 3 . 1 1 79 79 LEU HA H 72 4.500 4.500 4.894 -0.394 17827 1380 1 3 . 1 1 79 79 LEU C C 72 175.667 175.667 176.644 -0.977 17827 1381 1 3 . 1 1 79 79 LEU CA C 72 52.510 52.510 54.332 -1.822 17827 1382 1 3 . 1 1 79 79 LEU CB C 72 38.240 38.240 41.249 -3.009 17827 1383 1 3 . 1 1 79 79 LEU H H 72 9.175 9.175 8.347 0.828 17827 1384 1 3 . 1 1 80 80 LEU N N 73 119.170 119.170 124.064 -4.894 17827 1385 1 3 . 1 1 80 80 LEU HA H 73 4.380 4.380 4.415 -0.035 17827 1386 1 3 . 1 1 80 80 LEU C C 73 178.139 178.139 176.737 1.402 17827 1387 1 3 . 1 1 80 80 LEU CA C 73 54.700 54.700 55.614 -0.914 17827 1388 1 3 . 1 1 80 80 LEU CB C 73 42.170 42.170 42.590 -0.420 17827 1389 1 3 . 1 1 80 80 LEU H H 73 7.280 7.280 8.426 -1.146 17827 1390 1 3 . 1 1 81 81 LYS N N 74 119.766 119.766 118.171 1.595 17827 1391 1 3 . 1 1 81 81 LYS HA H 74 4.435 4.435 4.246 0.189 17827 1392 1 3 . 1 1 81 81 LYS C C 74 176.601 176.601 176.963 -0.362 17827 1393 1 3 . 1 1 81 81 LYS CA C 74 54.660 54.660 56.554 -1.895 17827 1394 1 3 . 1 1 81 81 LYS CB C 74 28.540 28.540 33.240 -4.700 17827 1395 1 3 . 1 1 81 81 LYS H H 74 7.865 7.865 7.687 0.178 17827 1396 1 3 . 1 1 82 82 THR N N 75 115.636 115.636 114.372 1.264 17827 1397 1 3 . 1 1 82 82 THR HA H 75 3.800 3.800 4.322 -0.522 17827 1398 1 3 . 1 1 82 82 THR C C 75 174.806 174.806 175.662 -0.856 17827 1399 1 3 . 1 1 82 82 THR CA C 75 64.650 64.650 64.251 0.399 17827 1400 1 3 . 1 1 82 82 THR CB C 75 68.260 68.260 68.803 -0.543 17827 1401 1 3 . 1 1 82 82 THR H H 75 7.910 7.910 8.608 -0.698 17827 1402 1 3 . 1 1 83 83 HIS N N 76 116.767 116.767 119.006 -2.239 17827 1403 1 3 . 1 1 83 83 HIS C C 76 176.370 176.370 174.729 1.641 17827 1404 1 3 . 1 1 83 83 HIS CB C 76 30.210 30.210 29.766 0.444 17827 1405 1 3 . 1 1 83 83 HIS H H 76 8.965 8.965 8.388 0.577 17827 1406 1 3 . 1 1 84 84 TRP N N 77 123.905 123.905 119.026 4.879 17827 1407 1 3 . 1 1 84 84 TRP C C 77 175.584 175.584 175.673 -0.089 17827 1408 1 3 . 1 1 84 84 TRP CB C 77 30.390 30.390 27.935 2.455 17827 1409 1 3 . 1 1 84 84 TRP H H 77 7.635 7.635 7.540 0.095 17827 1410 1 3 . 1 1 85 85 THR N N 78 108.440 108.440 114.973 -6.533 17827 1411 1 3 . 1 1 85 85 THR HA H 78 4.900 4.900 4.214 0.686 17827 1412 1 3 . 1 1 85 85 THR C C 78 175.691 175.691 175.793 -0.102 17827 1413 1 3 . 1 1 85 85 THR CA C 78 59.500 59.500 63.673 -4.173 17827 1414 1 3 . 1 1 85 85 THR CB C 78 70.600 70.600 69.487 1.113 17827 1415 1 3 . 1 1 85 85 THR H H 78 7.030 7.030 7.796 -0.766 17827 1416 1 3 . 1 1 86 86 LEU N N 79 119.766 119.766 121.654 -1.888 17827 1417 1 3 . 1 1 86 86 LEU HA H 79 4.040 4.040 4.049 -0.009 17827 1418 1 3 . 1 1 86 86 LEU C C 79 179.734 179.734 179.117 0.617 17827 1419 1 3 . 1 1 86 86 LEU CA C 79 58.750 58.750 59.573 -0.823 17827 1420 1 3 . 1 1 86 86 LEU CB C 79 40.450 40.450 41.472 -1.022 17827 1421 1 3 . 1 1 86 86 LEU H H 79 8.045 8.045 8.463 -0.418 17827 1422 1 3 . 1 1 87 87 ASP N N 80 118.407 118.407 118.121 0.286 17827 1423 1 3 . 1 1 87 87 ASP HA H 80 4.440 4.440 4.346 0.094 17827 1424 1 3 . 1 1 87 87 ASP C C 80 179.152 179.152 178.114 1.038 17827 1425 1 3 . 1 1 87 87 ASP CA C 80 57.320 57.320 57.045 0.275 17827 1426 1 3 . 1 1 87 87 ASP CB C 80 40.320 40.320 40.629 -0.309 17827 1427 1 3 . 1 1 87 87 ASP H H 80 8.935 8.935 8.863 0.072 17827 1428 1 3 . 1 1 88 88 LYS N N 81 123.300 123.300 118.806 4.494 17827 1429 1 3 . 1 1 88 88 LYS HA H 81 3.700 3.700 3.907 -0.207 17827 1430 1 3 . 1 1 88 88 LYS C C 81 178.721 178.721 178.171 0.550 17827 1431 1 3 . 1 1 88 88 LYS CA C 81 59.020 59.020 59.051 -0.031 17827 1432 1 3 . 1 1 88 88 LYS CB C 81 31.640 31.640 32.092 -0.452 17827 1433 1 3 . 1 1 88 88 LYS H H 81 8.055 8.055 7.880 0.175 17827 1434 1 3 . 1 1 89 89 TYR N N 82 115.690 115.690 117.402 -1.712 17827 1435 1 3 . 1 1 89 89 TYR HA H 82 4.580 4.580 4.230 0.350 17827 1436 1 3 . 1 1 89 89 TYR C C 82 176.164 176.164 175.619 0.545 17827 1437 1 3 . 1 1 89 89 TYR CA C 82 61.750 61.750 59.405 2.345 17827 1438 1 3 . 1 1 89 89 TYR CB C 82 40.750 40.750 39.177 1.573 17827 1439 1 3 . 1 1 89 89 TYR H H 82 7.730 7.730 7.723 0.007 17827 1440 1 3 . 1 1 90 90 GLY N N 83 108.212 108.212 106.676 1.536 17827 1441 1 3 . 1 1 90 90 GLY C C 83 174.555 174.555 174.480 0.075 17827 1442 1 3 . 1 1 90 90 GLY CA C 83 45.510 45.510 44.860 0.650 17827 1443 1 3 . 1 1 90 90 GLY H H 83 8.030 8.030 7.404 0.626 17827 1444 1 3 . 1 1 91 91 ILE N N 84 122.960 122.960 120.466 2.494 17827 1445 1 3 . 1 1 91 91 ILE HA H 84 3.370 3.370 4.114 -0.744 17827 1446 1 3 . 1 1 91 91 ILE C C 84 173.611 173.611 174.964 -1.353 17827 1447 1 3 . 1 1 91 91 ILE CA C 84 61.700 61.700 61.292 0.408 17827 1448 1 3 . 1 1 91 91 ILE CB C 84 37.610 37.610 39.066 -1.456 17827 1449 1 3 . 1 1 91 91 ILE H H 84 7.850 7.850 7.934 -0.084 17827 1450 1 3 . 1 1 92 92 GLN N N 85 125.429 125.429 124.098 1.331 17827 1451 1 3 . 1 1 92 92 GLN HA H 85 3.880 3.880 3.610 0.270 17827 1452 1 3 . 1 1 92 92 GLN C C 85 174.756 174.756 174.961 -0.205 17827 1453 1 3 . 1 1 92 92 GLN CA C 85 53.720 53.720 54.624 -0.904 17827 1454 1 3 . 1 1 92 92 GLN CB C 85 31.150 31.150 30.856 0.294 17827 1455 1 3 . 1 1 92 92 GLN H H 85 7.700 7.700 8.047 -0.347 17827 1456 1 3 . 1 1 93 93 ALA N N 86 118.217 118.217 120.833 -2.616 17827 1457 1 3 . 1 1 93 93 ALA HA H 86 3.800 3.800 4.428 -0.628 17827 1458 1 3 . 1 1 93 93 ALA C C 86 177.201 177.201 177.406 -0.205 17827 1459 1 3 . 1 1 93 93 ALA CA C 86 54.080 54.080 53.253 0.827 17827 1460 1 3 . 1 1 93 93 ALA CB C 86 18.410 18.410 18.805 -0.395 17827 1461 1 3 . 1 1 93 93 ALA H H 86 6.886 6.886 8.062 -1.176 17827 1462 1 3 . 1 1 94 94 ASP N N 87 113.647 113.647 117.611 -3.964 17827 1463 1 3 . 1 1 94 94 ASP HA H 87 4.420 4.420 4.536 -0.116 17827 1464 1 3 . 1 1 94 94 ASP C C 87 176.218 176.218 175.203 1.015 17827 1465 1 3 . 1 1 94 94 ASP CA C 87 54.060 54.060 53.823 0.237 17827 1466 1 3 . 1 1 94 94 ASP CB C 87 39.600 39.600 40.869 -1.269 17827 1467 1 3 . 1 1 94 94 ASP H H 87 8.223 8.223 8.014 0.209 17827 1468 1 3 . 1 1 95 95 ALA N N 88 124.145 124.145 122.835 1.310 17827 1469 1 3 . 1 1 95 95 ALA HA H 88 4.306 4.306 4.574 -0.268 17827 1470 1 3 . 1 1 95 95 ALA C C 88 176.630 176.630 176.470 0.160 17827 1471 1 3 . 1 1 95 95 ALA CA C 88 53.320 53.320 51.748 1.572 17827 1472 1 3 . 1 1 95 95 ALA CB C 88 20.020 20.020 19.567 0.453 17827 1473 1 3 . 1 1 95 95 ALA H H 88 7.941 7.941 7.117 0.824 17827 1474 1 3 . 1 1 96 96 LYS N N 89 120.897 120.897 126.410 -5.513 17827 1475 1 3 . 1 1 96 96 LYS HA H 89 4.826 4.826 4.832 -0.006 17827 1476 1 3 . 1 1 96 96 LYS C C 89 176.161 176.161 176.157 0.004 17827 1477 1 3 . 1 1 96 96 LYS CA C 89 54.736 54.736 55.086 -0.350 17827 1478 1 3 . 1 1 96 96 LYS CB C 89 32.390 32.390 32.233 0.157 17827 1479 1 3 . 1 1 96 96 LYS H H 89 8.500 8.500 8.613 -0.113 17827 1480 1 3 . 1 1 97 97 LEU N N 90 122.960 122.960 124.246 -1.286 17827 1481 1 3 . 1 1 97 97 LEU HA H 90 5.075 5.075 4.407 0.668 17827 1482 1 3 . 1 1 97 97 LEU C C 90 176.394 176.394 177.198 -0.804 17827 1483 1 3 . 1 1 97 97 LEU CA C 90 53.060 53.060 54.550 -1.490 17827 1484 1 3 . 1 1 97 97 LEU CB C 90 44.850 44.850 43.070 1.780 17827 1485 1 3 . 1 1 97 97 LEU H H 90 8.566 8.566 8.867 -0.301 17827 1486 1 3 . 1 1 98 98 GLN N N 91 119.538 119.538 116.099 3.439 17827 1487 1 3 . 1 1 98 98 GLN HA H 91 5.710 5.710 4.909 0.801 17827 1488 1 3 . 1 1 98 98 GLN C C 91 174.144 174.144 174.573 -0.429 17827 1489 1 3 . 1 1 98 98 GLN CA C 91 54.360 54.360 54.658 -0.298 17827 1490 1 3 . 1 1 98 98 GLN CB C 91 32.290 32.290 32.954 -0.664 17827 1491 1 3 . 1 1 98 98 GLN H H 91 9.060 9.060 8.136 0.924 17827 1492 1 3 . 1 1 99 99 PHE N N 92 125.674 125.674 120.524 5.150 17827 1493 1 3 . 1 1 99 99 PHE HA H 92 5.700 5.700 5.438 0.262 17827 1494 1 3 . 1 1 99 99 PHE C C 92 174.537 174.537 173.910 0.627 17827 1495 1 3 . 1 1 99 99 PHE CA C 92 54.190 54.190 56.482 -2.292 17827 1496 1 3 . 1 1 99 99 PHE CB C 92 41.080 41.080 43.522 -2.442 17827 1497 1 3 . 1 1 99 99 PHE H H 92 9.290 9.290 9.791 -0.501 17827 1498 1 3 . 1 1 100 100 THR N N 93 124.543 124.543 118.412 6.131 17827 1499 1 3 . 1 1 100 100 THR HA H 93 5.100 5.100 5.169 -0.069 17827 1500 1 3 . 1 1 100 100 THR C C 93 180.164 180.164 171.932 8.232 17827 1501 1 3 . 1 1 100 100 THR CA C 93 58.830 58.830 59.496 -0.666 17827 1502 1 3 . 1 1 100 100 THR CB C 93 73.610 73.610 71.197 2.413 17827 1503 1 3 . 1 1 100 100 THR H H 93 8.945 8.945 8.362 0.583 17827 1504 1 4 . 1 1 9 9 ALA N N 2 124.336 124.336 124.115 0.221 17827 1505 1 4 . 1 1 9 9 ALA HA H 2 4.210 4.210 4.555 -0.345 17827 1506 1 4 . 1 1 9 9 ALA C C 2 177.598 177.598 175.466 2.132 17827 1507 1 4 . 1 1 9 9 ALA CA C 2 52.440 52.440 51.564 0.876 17827 1508 1 4 . 1 1 9 9 ALA CB C 2 19.030 19.030 19.723 -0.693 17827 1509 1 4 . 1 1 9 9 ALA H H 2 8.018 8.018 8.220 -0.202 17827 1510 1 4 . 1 1 10 10 LEU N N 3 121.125 121.125 122.111 -0.986 17827 1511 1 4 . 1 1 10 10 LEU HA H 3 4.210 4.210 3.914 0.296 17827 1512 1 4 . 1 1 10 10 LEU C C 3 177.094 177.094 178.478 -1.384 17827 1513 1 4 . 1 1 10 10 LEU CA C 3 55.320 55.320 56.689 -1.369 17827 1514 1 4 . 1 1 10 10 LEU CB C 3 42.170 42.170 42.100 0.070 17827 1515 1 4 . 1 1 10 10 LEU H H 3 8.057 8.057 8.274 -0.217 17827 1516 1 4 . 1 1 11 11 ASP N N 4 119.766 119.766 118.447 1.319 17827 1517 1 4 . 1 1 11 11 ASP HA H 4 4.475 4.475 4.368 0.107 17827 1518 1 4 . 1 1 11 11 ASP C C 4 176.509 176.509 177.804 -1.295 17827 1519 1 4 . 1 1 11 11 ASP CA C 4 54.550 54.550 56.730 -2.180 17827 1520 1 4 . 1 1 11 11 ASP CB C 4 40.950 40.950 40.519 0.431 17827 1521 1 4 . 1 1 11 11 ASP H H 4 8.145 8.145 8.377 -0.232 17827 1522 1 4 . 1 1 12 12 GLY N N 5 108.440 108.440 104.851 3.589 17827 1523 1 4 . 1 1 12 12 GLY C C 5 173.692 173.692 175.555 -1.863 17827 1524 1 4 . 1 1 12 12 GLY CA C 5 45.310 45.310 44.513 0.797 17827 1525 1 4 . 1 1 12 12 GLY H H 5 8.110 8.110 8.054 0.056 17827 1526 1 4 . 1 1 13 13 ILE N N 6 119.766 119.766 119.624 0.142 17827 1527 1 4 . 1 1 13 13 ILE HA H 6 4.100 4.100 3.641 0.459 17827 1528 1 4 . 1 1 13 13 ILE C C 6 175.525 175.525 177.301 -1.776 17827 1529 1 4 . 1 1 13 13 ILE CA C 6 60.710 60.710 64.483 -3.773 17827 1530 1 4 . 1 1 13 13 ILE CB C 6 38.430 38.430 38.099 0.331 17827 1531 1 4 . 1 1 13 13 ILE H H 6 7.790 7.790 8.000 -0.210 17827 1532 1 4 . 1 1 14 14 ARG N N 7 125.657 125.657 117.197 8.460 17827 1533 1 4 . 1 1 14 14 ARG HA H 7 4.210 4.210 4.392 -0.182 17827 1534 1 4 . 1 1 14 14 ARG C C 7 175.810 175.810 175.275 0.535 17827 1535 1 4 . 1 1 14 14 ARG CA C 7 55.640 55.640 56.737 -1.097 17827 1536 1 4 . 1 1 14 14 ARG CB C 7 30.990 30.990 32.520 -1.530 17827 1537 1 4 . 1 1 14 14 ARG H H 7 8.410 8.410 8.313 0.097 17827 1538 1 4 . 1 1 15 15 MET N N 8 123.598 123.598 111.815 11.783 17827 1539 1 4 . 1 1 15 15 MET HA H 8 4.210 4.210 4.761 -0.551 17827 1540 1 4 . 1 1 15 15 MET C C 8 174.950 174.950 174.408 0.542 17827 1541 1 4 . 1 1 15 15 MET CA C 8 55.330 55.330 56.562 -1.232 17827 1542 1 4 . 1 1 15 15 MET CB C 8 31.730 31.730 30.710 1.020 17827 1543 1 4 . 1 1 15 15 MET H H 8 8.495 8.495 7.652 0.843 17827 1544 1 4 . 1 1 16 16 PRO HA H 9 4.290 4.290 4.300 -0.010 17827 1545 1 4 . 1 1 16 16 PRO C C 9 176.228 176.228 176.521 -0.293 17827 1546 1 4 . 1 1 16 16 PRO CA C 9 63.370 63.370 65.051 -1.681 17827 1547 1 4 . 1 1 16 16 PRO CB C 9 31.820 31.820 31.240 0.580 17827 1548 1 4 . 1 1 17 17 ASP N N 10 117.952 117.952 112.979 4.973 17827 1549 1 4 . 1 1 17 17 ASP HA H 10 4.420 4.420 4.677 -0.257 17827 1550 1 4 . 1 1 17 17 ASP C C 10 176.714 176.714 175.346 1.368 17827 1551 1 4 . 1 1 17 17 ASP CA C 10 54.130 54.130 54.105 0.025 17827 1552 1 4 . 1 1 17 17 ASP CB C 10 40.430 40.430 40.878 -0.448 17827 1553 1 4 . 1 1 17 17 ASP H H 10 8.076 8.076 8.142 -0.066 17827 1554 1 4 . 1 1 18 18 GLY N N 11 108.663 108.663 106.112 2.551 17827 1555 1 4 . 1 1 18 18 GLY C C 11 173.819 173.819 174.208 -0.389 17827 1556 1 4 . 1 1 18 18 GLY CA C 11 45.300 45.300 45.844 -0.544 17827 1557 1 4 . 1 1 18 18 GLY H H 11 8.255 8.255 8.368 -0.113 17827 1558 1 4 . 1 1 19 19 CYS N N 12 118.179 118.179 119.198 -1.019 17827 1559 1 4 . 1 1 19 19 CYS HA H 12 4.550 4.550 4.357 0.193 17827 1560 1 4 . 1 1 19 19 CYS C C 12 174.073 174.073 173.396 0.677 17827 1561 1 4 . 1 1 19 19 CYS CA C 12 58.420 58.420 60.210 -1.790 17827 1562 1 4 . 1 1 19 19 CYS CB C 12 28.400 28.400 28.838 -0.438 17827 1563 1 4 . 1 1 19 19 CYS H H 12 7.850 7.850 8.293 -0.443 17827 1564 1 4 . 1 1 20 20 TYR N N 13 120.897 120.897 116.921 3.976 17827 1565 1 4 . 1 1 20 20 TYR HA H 13 4.550 4.550 4.514 0.036 17827 1566 1 4 . 1 1 20 20 TYR C C 13 176.748 176.748 173.948 2.800 17827 1567 1 4 . 1 1 20 20 TYR CA C 13 58.470 58.470 57.498 0.972 17827 1568 1 4 . 1 1 20 20 TYR CB C 13 39.210 39.210 40.659 -1.449 17827 1569 1 4 . 1 1 20 20 TYR H H 13 8.550 8.550 7.681 0.869 17827 1570 1 4 . 1 1 21 21 ALA N N 14 124.750 124.750 126.280 -1.530 17827 1571 1 4 . 1 1 21 21 ALA HA H 14 4.190 4.190 4.179 0.011 17827 1572 1 4 . 1 1 21 21 ALA C C 14 177.181 177.181 176.767 0.414 17827 1573 1 4 . 1 1 21 21 ALA CA C 14 53.530 53.530 53.645 -0.115 17827 1574 1 4 . 1 1 21 21 ALA CB C 14 18.630 18.630 17.992 0.638 17827 1575 1 4 . 1 1 21 21 ALA H H 14 8.615 8.615 8.526 0.089 17827 1576 1 4 . 1 1 22 22 ASP N N 15 117.500 117.500 122.726 -5.226 17827 1577 1 4 . 1 1 22 22 ASP HA H 15 4.480 4.480 4.715 -0.235 17827 1578 1 4 . 1 1 22 22 ASP C C 15 176.708 176.708 176.743 -0.035 17827 1579 1 4 . 1 1 22 22 ASP CA C 15 53.500 53.500 54.066 -0.566 17827 1580 1 4 . 1 1 22 22 ASP CB C 15 40.730 40.730 43.798 -3.068 17827 1581 1 4 . 1 1 22 22 ASP H H 15 7.960 7.960 8.178 -0.218 17827 1582 1 4 . 1 1 23 23 GLY N N 16 108.891 108.891 110.690 -1.799 17827 1583 1 4 . 1 1 23 23 GLY C C 16 174.373 174.373 173.412 0.961 17827 1584 1 4 . 1 1 23 23 GLY CA C 16 45.370 45.370 45.322 0.048 17827 1585 1 4 . 1 1 23 23 GLY H H 16 8.344 8.344 8.519 -0.175 17827 1586 1 4 . 1 1 24 24 THR N N 17 110.929 110.929 111.971 -1.042 17827 1587 1 4 . 1 1 24 24 THR HA H 17 4.640 4.640 4.299 0.341 17827 1588 1 4 . 1 1 24 24 THR C C 17 173.620 173.620 173.772 -0.152 17827 1589 1 4 . 1 1 24 24 THR CA C 17 60.540 60.540 60.856 -0.316 17827 1590 1 4 . 1 1 24 24 THR CB C 17 72.100 72.100 69.690 2.410 17827 1591 1 4 . 1 1 24 24 THR H H 17 7.850 7.850 7.600 0.250 17827 1592 1 4 . 1 1 25 25 TRP N N 18 117.728 117.728 118.516 -0.788 17827 1593 1 4 . 1 1 25 25 TRP HA H 18 4.945 4.945 4.837 0.108 17827 1594 1 4 . 1 1 25 25 TRP C C 18 174.164 174.164 174.020 0.144 17827 1595 1 4 . 1 1 25 25 TRP CA C 18 54.620 54.620 56.732 -2.112 17827 1596 1 4 . 1 1 25 25 TRP CB C 18 30.650 30.650 29.874 0.776 17827 1597 1 4 . 1 1 25 25 TRP H H 18 8.640 8.640 7.370 1.270 17827 1598 1 4 . 1 1 26 26 GLU N N 19 117.728 117.728 118.716 -0.988 17827 1599 1 4 . 1 1 26 26 GLU HA H 19 4.851 4.851 4.863 -0.012 17827 1600 1 4 . 1 1 26 26 GLU C C 19 174.786 174.786 174.542 0.244 17827 1601 1 4 . 1 1 26 26 GLU CA C 19 55.710 55.710 54.872 0.838 17827 1602 1 4 . 1 1 26 26 GLU CB C 19 31.500 31.500 32.436 -0.936 17827 1603 1 4 . 1 1 26 26 GLU H H 19 8.744 8.744 8.505 0.239 17827 1604 1 4 . 1 1 27 27 LEU N N 20 126.668 126.668 119.514 7.154 17827 1605 1 4 . 1 1 27 27 LEU HA H 20 4.880 4.880 4.809 0.071 17827 1606 1 4 . 1 1 27 27 LEU C C 20 175.123 175.123 175.433 -0.310 17827 1607 1 4 . 1 1 27 27 LEU CA C 20 53.252 53.252 53.659 -0.407 17827 1608 1 4 . 1 1 27 27 LEU CB C 20 45.280 45.280 46.716 -1.436 17827 1609 1 4 . 1 1 27 27 LEU H H 20 8.980 8.980 8.790 0.190 17827 1610 1 4 . 1 1 28 28 SER N N 21 121.804 121.804 117.027 4.777 17827 1611 1 4 . 1 1 28 28 SER HA H 21 4.894 4.894 5.100 -0.206 17827 1612 1 4 . 1 1 28 28 SER C C 21 173.483 173.483 172.962 0.521 17827 1613 1 4 . 1 1 28 28 SER CA C 21 57.880 57.880 57.136 0.744 17827 1614 1 4 . 1 1 28 28 SER CB C 21 63.920 63.920 64.885 -0.966 17827 1615 1 4 . 1 1 28 28 SER H H 21 8.785 8.785 8.612 0.173 17827 1616 1 4 . 1 1 29 29 VAL N N 22 125.881 125.881 121.635 4.246 17827 1617 1 4 . 1 1 29 29 VAL HA H 22 4.370 4.370 4.432 -0.062 17827 1618 1 4 . 1 1 29 29 VAL C C 22 173.953 173.953 174.837 -0.884 17827 1619 1 4 . 1 1 29 29 VAL CA C 22 60.440 60.440 60.382 0.058 17827 1620 1 4 . 1 1 29 29 VAL CB C 22 34.350 34.350 35.392 -1.042 17827 1621 1 4 . 1 1 29 29 VAL H H 22 8.865 8.865 8.360 0.505 17827 1622 1 4 . 1 1 30 30 HIS N N 23 126.560 126.560 123.607 2.953 17827 1623 1 4 . 1 1 30 30 HIS HA H 23 5.220 5.220 4.820 0.400 17827 1624 1 4 . 1 1 30 30 HIS C C 23 174.596 174.596 174.152 0.444 17827 1625 1 4 . 1 1 30 30 HIS CA C 23 55.250 55.250 55.571 -0.321 17827 1626 1 4 . 1 1 30 30 HIS CB C 23 30.550 30.550 32.919 -2.369 17827 1627 1 4 . 1 1 30 30 HIS H H 23 8.810 8.810 8.630 0.180 17827 1628 1 4 . 1 1 31 31 VAL N N 24 130.587 130.587 128.248 2.339 17827 1629 1 4 . 1 1 31 31 VAL HA H 24 5.230 5.230 4.543 0.687 17827 1630 1 4 . 1 1 31 31 VAL C C 24 177.426 177.426 175.761 1.665 17827 1631 1 4 . 1 1 31 31 VAL CA C 24 55.530 55.530 61.970 -6.440 17827 1632 1 4 . 1 1 31 31 VAL CB C 24 31.040 31.040 31.381 -0.341 17827 1633 1 4 . 1 1 31 31 VAL H H 24 9.043 9.043 8.639 0.404 17827 1634 1 4 . 1 1 32 32 THR N N 25 122.484 122.484 119.062 3.422 17827 1635 1 4 . 1 1 32 32 THR HA H 25 3.970 3.970 4.420 -0.450 17827 1636 1 4 . 1 1 32 32 THR C C 25 177.437 177.437 174.761 2.676 17827 1637 1 4 . 1 1 32 32 THR CA C 25 66.470 66.470 62.126 4.344 17827 1638 1 4 . 1 1 32 32 THR CB C 25 68.220 68.220 70.515 -2.295 17827 1639 1 4 . 1 1 32 32 THR H H 25 8.245 8.245 8.618 -0.373 17827 1640 1 4 . 1 1 34 34 VAL N N 27 114.090 114.090 117.808 -3.718 17827 1641 1 4 . 1 1 34 34 VAL HA H 27 4.500 4.500 4.125 0.375 17827 1642 1 4 . 1 1 34 34 VAL CA C 27 54.220 54.220 62.525 -8.305 17827 1643 1 4 . 1 1 34 34 VAL CB C 27 27.060 27.060 33.686 -6.626 17827 1644 1 4 . 1 1 34 34 VAL H H 27 6.977 6.977 7.342 -0.365 17827 1645 1 4 . 1 1 35 35 ASN N N 28 116.829 116.829 115.319 1.510 17827 1646 1 4 . 1 1 35 35 ASN HA H 28 4.299 4.299 4.383 -0.084 17827 1647 1 4 . 1 1 35 35 ASN CA C 28 53.650 53.650 54.251 -0.601 17827 1648 1 4 . 1 1 35 35 ASN CB C 28 37.110 37.110 37.950 -0.840 17827 1649 1 4 . 1 1 35 35 ASN H H 28 7.897 7.897 8.367 -0.470 17827 1650 1 4 . 1 1 36 36 ARG N N 29 114.310 114.310 117.680 -3.370 17827 1651 1 4 . 1 1 36 36 ARG HA H 29 4.700 4.700 4.601 0.099 17827 1652 1 4 . 1 1 36 36 ARG C C 29 173.347 173.347 174.281 -0.934 17827 1653 1 4 . 1 1 36 36 ARG CA C 29 54.900 54.900 54.837 0.063 17827 1654 1 4 . 1 1 36 36 ARG CB C 29 34.700 34.700 32.095 2.605 17827 1655 1 4 . 1 1 36 36 ARG H H 29 6.787 6.787 7.640 -0.853 17827 1656 1 4 . 1 1 37 37 ASP N N 30 124.071 124.071 118.898 5.173 17827 1657 1 4 . 1 1 37 37 ASP HA H 30 5.475 5.475 4.648 0.827 17827 1658 1 4 . 1 1 37 37 ASP C C 30 175.354 175.354 174.214 1.140 17827 1659 1 4 . 1 1 37 37 ASP CA C 30 53.660 53.660 53.411 0.249 17827 1660 1 4 . 1 1 37 37 ASP CB C 30 42.260 42.260 42.764 -0.504 17827 1661 1 4 . 1 1 37 37 ASP H H 30 8.760 8.760 8.405 0.355 17827 1662 1 4 . 1 1 38 38 VAL N N 31 123.300 123.300 118.645 4.655 17827 1663 1 4 . 1 1 38 38 VAL HA H 31 4.270 4.270 4.548 -0.278 17827 1664 1 4 . 1 1 38 38 VAL C C 31 174.203 174.203 174.498 -0.295 17827 1665 1 4 . 1 1 38 38 VAL CA C 31 60.700 60.700 60.152 0.548 17827 1666 1 4 . 1 1 38 38 VAL CB C 31 34.620 34.620 36.352 -1.732 17827 1667 1 4 . 1 1 38 38 VAL H H 31 9.187 9.187 7.972 1.215 17827 1668 1 4 . 1 1 39 39 THR N N 32 119.766 119.766 112.762 7.004 17827 1669 1 4 . 1 1 39 39 THR HA H 32 5.095 5.095 4.906 0.189 17827 1670 1 4 . 1 1 39 39 THR C C 32 173.547 173.547 173.207 0.340 17827 1671 1 4 . 1 1 39 39 THR CA C 32 60.550 60.550 59.823 0.727 17827 1672 1 4 . 1 1 39 39 THR CB C 32 70.170 70.170 71.391 -1.221 17827 1673 1 4 . 1 1 39 39 THR H H 32 8.360 8.360 8.119 0.241 17827 1674 1 4 . 1 1 40 40 LEU N N 33 124.522 124.522 122.692 1.830 17827 1675 1 4 . 1 1 40 40 LEU HA H 33 4.590 4.590 4.668 -0.078 17827 1676 1 4 . 1 1 40 40 LEU C C 33 174.691 174.691 175.886 -1.195 17827 1677 1 4 . 1 1 40 40 LEU CA C 33 52.580 52.580 53.873 -1.293 17827 1678 1 4 . 1 1 40 40 LEU CB C 33 45.410 45.410 44.358 1.052 17827 1679 1 4 . 1 1 40 40 LEU H H 33 8.750 8.750 8.198 0.552 17827 1680 1 4 . 1 1 41 41 ARG N N 34 122.712 122.712 124.371 -1.659 17827 1681 1 4 . 1 1 41 41 ARG HA H 34 4.680 4.680 4.687 -0.007 17827 1682 1 4 . 1 1 41 41 ARG C C 34 175.700 175.700 174.376 1.324 17827 1683 1 4 . 1 1 41 41 ARG CA C 34 55.420 55.420 55.396 0.024 17827 1684 1 4 . 1 1 41 41 ARG CB C 34 29.500 29.500 29.664 -0.164 17827 1685 1 4 . 1 1 41 41 ARG H H 34 8.345 8.345 8.725 -0.380 17827 1686 1 4 . 1 1 42 42 VAL N N 35 117.728 117.728 116.727 1.001 17827 1687 1 4 . 1 1 42 42 VAL HA H 35 4.465 4.465 4.562 -0.097 17827 1688 1 4 . 1 1 42 42 VAL C C 35 173.184 173.184 173.701 -0.517 17827 1689 1 4 . 1 1 42 42 VAL CA C 35 58.670 58.670 59.175 -0.505 17827 1690 1 4 . 1 1 42 42 VAL CB C 35 36.050 36.050 35.282 0.768 17827 1691 1 4 . 1 1 42 42 VAL H H 35 8.640 8.640 7.811 0.829 17827 1692 1 4 . 1 1 43 43 THR N N 36 104.359 104.359 108.892 -4.533 17827 1693 1 4 . 1 1 43 43 THR HA H 36 4.660 4.660 2.470 2.190 17827 1694 1 4 . 1 1 43 43 THR C C 36 174.862 174.862 175.049 -0.187 17827 1695 1 4 . 1 1 43 43 THR CA C 36 59.010 59.010 58.563 0.447 17827 1696 1 4 . 1 1 43 43 THR CB C 36 71.570 71.570 70.856 0.714 17827 1697 1 4 . 1 1 43 43 THR H H 36 6.220 6.220 7.810 -1.590 17827 1698 1 4 . 1 1 44 44 GLY N N 37 105.946 105.946 107.372 -1.426 17827 1699 1 4 . 1 1 44 44 GLY C C 37 173.394 173.394 174.707 -1.313 17827 1700 1 4 . 1 1 44 44 GLY CA C 37 46.830 46.830 46.909 -0.079 17827 1701 1 4 . 1 1 44 44 GLY H H 37 9.160 9.160 8.743 0.417 17827 1702 1 4 . 1 1 45 45 GLU N N 38 113.875 113.875 117.201 -3.326 17827 1703 1 4 . 1 1 45 45 GLU HA H 38 4.290 4.290 4.277 0.013 17827 1704 1 4 . 1 1 45 45 GLU C C 38 176.167 176.167 176.417 -0.250 17827 1705 1 4 . 1 1 45 45 GLU CA C 38 55.500 55.500 56.092 -0.592 17827 1706 1 4 . 1 1 45 45 GLU CB C 38 30.950 30.950 29.831 1.119 17827 1707 1 4 . 1 1 45 45 GLU H H 38 7.500 7.500 7.289 0.211 17827 1708 1 4 . 1 1 46 46 VAL N N 39 121.577 121.577 122.266 -0.689 17827 1709 1 4 . 1 1 46 46 VAL HA H 39 3.820 3.820 3.955 -0.135 17827 1710 1 4 . 1 1 46 46 VAL C C 39 174.651 174.651 175.107 -0.456 17827 1711 1 4 . 1 1 46 46 VAL CA C 39 63.920 63.920 61.856 2.063 17827 1712 1 4 . 1 1 46 46 VAL CB C 39 31.590 31.590 32.952 -1.362 17827 1713 1 4 . 1 1 46 46 VAL H H 39 7.260 7.260 7.767 -0.507 17827 1714 1 4 . 1 1 47 47 HIS N N 40 123.391 123.391 126.735 -3.344 17827 1715 1 4 . 1 1 47 47 HIS HA H 40 5.212 5.212 4.667 0.545 17827 1716 1 4 . 1 1 47 47 HIS C C 40 177.440 177.440 176.383 1.057 17827 1717 1 4 . 1 1 47 47 HIS CA C 40 54.660 54.660 55.575 -0.916 17827 1718 1 4 . 1 1 47 47 HIS CB C 40 30.910 30.910 30.659 0.251 17827 1719 1 4 . 1 1 47 47 HIS H H 40 8.285 8.285 8.434 -0.149 17827 1720 1 4 . 1 1 48 48 ILE N N 41 124.071 124.071 124.238 -0.167 17827 1721 1 4 . 1 1 48 48 ILE HA H 41 3.530 3.530 3.807 -0.277 17827 1722 1 4 . 1 1 48 48 ILE C C 41 178.941 178.941 177.611 1.330 17827 1723 1 4 . 1 1 48 48 ILE CA C 41 62.330 62.330 65.564 -3.234 17827 1724 1 4 . 1 1 48 48 ILE CB C 41 34.230 34.230 37.858 -3.628 17827 1725 1 4 . 1 1 48 48 ILE H H 41 8.863 8.863 8.200 0.663 17827 1726 1 4 . 1 1 49 49 GLY N N 42 106.853 106.853 104.460 2.393 17827 1727 1 4 . 1 1 49 49 GLY C C 42 175.669 175.669 175.364 0.305 17827 1728 1 4 . 1 1 49 49 GLY CA C 42 45.320 45.320 46.179 -0.859 17827 1729 1 4 . 1 1 49 49 GLY H H 42 9.720 9.720 8.681 1.039 17827 1730 1 4 . 1 1 50 50 GLY N N 43 109.571 109.571 108.945 0.626 17827 1731 1 4 . 1 1 50 50 GLY C C 43 175.847 175.847 175.529 0.318 17827 1732 1 4 . 1 1 50 50 GLY CA C 43 47.000 47.000 45.701 1.299 17827 1733 1 4 . 1 1 50 50 GLY H H 43 6.950 6.950 8.260 -1.310 17827 1734 1 4 . 1 1 51 51 VAL N N 44 123.163 123.163 124.086 -0.923 17827 1735 1 4 . 1 1 51 51 VAL HA H 44 3.115 3.115 3.740 -0.625 17827 1736 1 4 . 1 1 51 51 VAL C C 44 176.804 176.804 177.898 -1.094 17827 1737 1 4 . 1 1 51 51 VAL CA C 44 66.660 66.660 67.142 -0.482 17827 1738 1 4 . 1 1 51 51 VAL CB C 44 30.730 30.730 32.016 -1.286 17827 1739 1 4 . 1 1 51 51 VAL H H 44 7.860 7.860 8.641 -0.781 17827 1740 1 4 . 1 1 52 52 MET N N 45 115.913 115.913 117.996 -2.083 17827 1741 1 4 . 1 1 52 52 MET HA H 45 3.410 3.410 4.385 -0.975 17827 1742 1 4 . 1 1 52 52 MET C C 45 176.881 176.881 178.170 -1.289 17827 1743 1 4 . 1 1 52 52 MET CA C 45 59.830 59.830 59.777 0.053 17827 1744 1 4 . 1 1 52 52 MET CB C 45 32.310 32.310 31.896 0.414 17827 1745 1 4 . 1 1 52 52 MET H H 45 7.940 7.940 7.828 0.112 17827 1746 1 4 . 1 1 53 53 LEU N N 46 118.291 118.291 121.964 -3.673 17827 1747 1 4 . 1 1 53 53 LEU HA H 46 3.940 3.940 4.212 -0.272 17827 1748 1 4 . 1 1 53 53 LEU C C 46 179.178 179.178 179.351 -0.173 17827 1749 1 4 . 1 1 53 53 LEU CA C 46 58.500 58.500 58.198 0.302 17827 1750 1 4 . 1 1 53 53 LEU CB C 46 41.930 41.930 41.239 0.692 17827 1751 1 4 . 1 1 53 53 LEU H H 46 7.550 7.550 7.822 -0.272 17827 1752 1 4 . 1 1 54 54 LYS N N 47 118.142 118.142 119.389 -1.247 17827 1753 1 4 . 1 1 54 54 LYS HA H 47 3.870 3.870 4.268 -0.398 17827 1754 1 4 . 1 1 54 54 LYS C C 47 178.616 178.616 179.294 -0.678 17827 1755 1 4 . 1 1 54 54 LYS CA C 47 57.980 57.980 59.201 -1.221 17827 1756 1 4 . 1 1 54 54 LYS CB C 47 32.320 32.320 32.109 0.211 17827 1757 1 4 . 1 1 54 54 LYS H H 47 7.665 7.665 8.725 -1.060 17827 1758 1 4 . 1 1 55 55 LEU N N 48 119.385 119.385 120.559 -1.174 17827 1759 1 4 . 1 1 55 55 LEU HA H 48 3.570 3.570 4.286 -0.716 17827 1760 1 4 . 1 1 55 55 LEU C C 48 177.405 177.405 177.788 -0.383 17827 1761 1 4 . 1 1 55 55 LEU CA C 48 57.790 57.790 57.755 0.035 17827 1762 1 4 . 1 1 55 55 LEU CB C 48 41.590 41.590 42.121 -0.531 17827 1763 1 4 . 1 1 55 55 LEU H H 48 7.975 7.975 7.707 0.268 17827 1764 1 4 . 1 1 56 56 VAL N N 49 116.141 116.141 120.239 -4.098 17827 1765 1 4 . 1 1 56 56 VAL HA H 49 2.990 2.990 3.346 -0.356 17827 1766 1 4 . 1 1 56 56 VAL C C 49 178.564 178.564 178.095 0.469 17827 1767 1 4 . 1 1 56 56 VAL CA C 49 66.310 66.310 67.405 -1.095 17827 1768 1 4 . 1 1 56 56 VAL CB C 49 31.300 31.300 31.522 -0.222 17827 1769 1 4 . 1 1 56 56 VAL H H 49 7.615 7.615 9.023 -1.408 17827 1770 1 4 . 1 1 57 57 GLU N N 50 118.631 118.631 118.508 0.123 17827 1771 1 4 . 1 1 57 57 GLU HA H 50 3.965 3.965 4.194 -0.229 17827 1772 1 4 . 1 1 57 57 GLU C C 50 178.030 178.030 178.489 -0.459 17827 1773 1 4 . 1 1 57 57 GLU CA C 50 58.500 58.500 59.058 -0.558 17827 1774 1 4 . 1 1 57 57 GLU CB C 50 29.610 29.610 29.654 -0.044 17827 1775 1 4 . 1 1 57 57 GLU H H 50 7.575 7.575 8.923 -1.348 17827 1776 1 4 . 1 1 58 58 LYS N N 51 117.053 117.053 119.068 -2.015 17827 1777 1 4 . 1 1 58 58 LYS HA H 51 4.130 4.130 4.019 0.111 17827 1778 1 4 . 1 1 58 58 LYS C C 51 176.956 176.956 179.263 -2.307 17827 1779 1 4 . 1 1 58 58 LYS CA C 51 56.660 56.660 58.776 -2.116 17827 1780 1 4 . 1 1 58 58 LYS CB C 51 32.660 32.660 32.543 0.117 17827 1781 1 4 . 1 1 58 58 LYS H H 51 7.490 7.490 7.428 0.062 17827 1782 1 4 . 1 1 59 59 LEU N N 52 119.460 119.460 118.525 0.935 17827 1783 1 4 . 1 1 59 59 LEU HA H 52 4.122 4.122 3.924 0.198 17827 1784 1 4 . 1 1 59 59 LEU C C 52 176.645 176.645 178.146 -1.501 17827 1785 1 4 . 1 1 59 59 LEU CA C 52 56.660 56.660 57.330 -0.670 17827 1786 1 4 . 1 1 59 59 LEU CB C 52 42.700 42.700 42.054 0.646 17827 1787 1 4 . 1 1 59 59 LEU H H 52 7.470 7.470 8.132 -0.662 17827 1788 1 4 . 1 1 62 62 LYS C C 55 175.670 175.670 176.008 -0.338 17827 1789 1 4 . 1 1 63 63 LYS N N 56 122.430 122.430 121.578 0.852 17827 1790 1 4 . 1 1 63 63 LYS HA H 56 4.030 4.030 4.416 -0.386 17827 1791 1 4 . 1 1 63 63 LYS C C 56 172.850 172.850 175.982 -3.132 17827 1792 1 4 . 1 1 63 63 LYS CA C 56 54.530 54.530 55.722 -1.192 17827 1793 1 4 . 1 1 63 63 LYS CB C 56 34.440 34.440 33.164 1.276 17827 1794 1 4 . 1 1 63 63 LYS H H 56 7.245 7.245 7.556 -0.311 17827 1795 1 4 . 1 1 64 64 ASP N N 57 118.867 118.867 122.987 -4.120 17827 1796 1 4 . 1 1 64 64 ASP HA H 57 4.530 4.530 4.141 0.389 17827 1797 1 4 . 1 1 64 64 ASP C C 57 176.710 176.710 175.513 1.197 17827 1798 1 4 . 1 1 64 64 ASP CA C 57 52.500 52.500 54.881 -2.381 17827 1799 1 4 . 1 1 64 64 ASP CB C 57 40.320 40.320 40.682 -0.362 17827 1800 1 4 . 1 1 64 64 ASP H H 57 7.867 7.867 8.005 -0.138 17827 1801 1 4 . 1 1 65 65 TRP N N 58 128.827 128.827 121.911 6.916 17827 1802 1 4 . 1 1 65 65 TRP HA H 58 4.540 4.540 4.727 -0.187 17827 1803 1 4 . 1 1 65 65 TRP C C 58 178.390 178.390 177.613 0.777 17827 1804 1 4 . 1 1 65 65 TRP CA C 58 52.860 52.860 59.115 -6.255 17827 1805 1 4 . 1 1 65 65 TRP CB C 58 29.420 29.420 29.513 -0.093 17827 1806 1 4 . 1 1 65 65 TRP H H 58 8.790 8.790 7.966 0.824 17827 1807 1 4 . 1 1 66 66 SER N N 59 117.724 117.724 114.204 3.520 17827 1808 1 4 . 1 1 66 66 SER HA H 59 4.143 4.143 4.468 -0.325 17827 1809 1 4 . 1 1 66 66 SER C C 59 174.471 174.471 175.064 -0.593 17827 1810 1 4 . 1 1 66 66 SER CA C 59 62.350 62.350 59.452 2.898 17827 1811 1 4 . 1 1 66 66 SER CB C 59 63.110 63.110 63.280 -0.170 17827 1812 1 4 . 1 1 66 66 SER H H 59 8.637 8.637 8.096 0.541 17827 1813 1 4 . 1 1 67 67 ASP N N 60 121.042 121.042 119.541 1.501 17827 1814 1 4 . 1 1 67 67 ASP C C 60 176.206 176.206 176.665 -0.459 17827 1815 1 4 . 1 1 67 67 ASP CB C 60 42.560 42.560 40.855 1.705 17827 1816 1 4 . 1 1 67 67 ASP H H 60 8.895 8.895 8.288 0.607 17827 1817 1 4 . 1 1 68 68 HIS N N 61 121.519 121.519 117.083 4.436 17827 1818 1 4 . 1 1 68 68 HIS HA H 61 4.490 4.490 4.322 0.168 17827 1819 1 4 . 1 1 68 68 HIS C C 61 174.546 174.546 174.152 0.394 17827 1820 1 4 . 1 1 68 68 HIS CA C 61 57.940 57.940 56.208 1.732 17827 1821 1 4 . 1 1 68 68 HIS CB C 61 39.410 39.410 31.003 8.406 17827 1822 1 4 . 1 1 68 68 HIS H H 61 7.958 7.958 7.391 0.567 17827 1823 1 4 . 1 1 69 69 ALA N N 62 122.256 122.256 118.161 4.095 17827 1824 1 4 . 1 1 69 69 ALA C C 62 175.294 175.294 174.539 0.755 17827 1825 1 4 . 1 1 69 69 ALA CB C 62 22.470 22.470 22.464 0.006 17827 1826 1 4 . 1 1 69 69 ALA H H 62 8.575 8.575 8.635 -0.060 17827 1827 1 4 . 1 1 70 70 LEU N N 63 118.904 118.904 120.202 -1.298 17827 1828 1 4 . 1 1 70 70 LEU HA H 63 5.654 5.654 4.891 0.763 17827 1829 1 4 . 1 1 70 70 LEU C C 63 174.445 174.445 176.466 -2.021 17827 1830 1 4 . 1 1 70 70 LEU CA C 63 53.930 53.930 53.010 0.920 17827 1831 1 4 . 1 1 70 70 LEU CB C 63 44.300 44.300 42.378 1.922 17827 1832 1 4 . 1 1 70 70 LEU H H 63 9.150 9.150 8.612 0.538 17827 1833 1 4 . 1 1 71 71 TRP N N 64 125.367 125.367 126.728 -1.361 17827 1834 1 4 . 1 1 71 71 TRP C C 64 174.010 174.010 175.539 -1.529 17827 1835 1 4 . 1 1 71 71 TRP CB C 64 32.210 32.210 30.940 1.270 17827 1836 1 4 . 1 1 71 71 TRP H H 64 9.590 9.590 8.508 1.082 17827 1837 1 4 . 1 1 72 72 TRP N N 65 129.982 129.982 128.925 1.057 17827 1838 1 4 . 1 1 72 72 TRP HA H 65 4.980 4.980 4.778 0.202 17827 1839 1 4 . 1 1 72 72 TRP C C 65 174.335 174.335 176.415 -2.080 17827 1840 1 4 . 1 1 72 72 TRP CA C 65 51.440 51.440 54.274 -2.834 17827 1841 1 4 . 1 1 72 72 TRP CB C 65 30.490 30.490 29.937 0.553 17827 1842 1 4 . 1 1 72 72 TRP H H 65 8.277 8.277 9.019 -0.742 17827 1843 1 4 . 1 1 73 73 GLU N N 66 129.112 129.112 128.222 0.890 17827 1844 1 4 . 1 1 73 73 GLU HA H 66 3.300 3.300 3.925 -0.625 17827 1845 1 4 . 1 1 73 73 GLU C C 66 178.595 178.595 177.016 1.579 17827 1846 1 4 . 1 1 73 73 GLU CA C 66 59.920 59.920 58.809 1.111 17827 1847 1 4 . 1 1 73 73 GLU CB C 66 29.060 29.060 28.910 0.150 17827 1848 1 4 . 1 1 73 73 GLU H H 66 8.969 8.969 8.639 0.330 17827 1849 1 4 . 1 1 74 74 LYS N N 67 117.492 117.492 120.066 -2.574 17827 1850 1 4 . 1 1 74 74 LYS HA H 67 3.702 3.702 3.889 -0.187 17827 1851 1 4 . 1 1 74 74 LYS C C 67 176.361 176.361 176.899 -0.538 17827 1852 1 4 . 1 1 74 74 LYS CA C 67 58.660 58.660 58.813 -0.153 17827 1853 1 4 . 1 1 74 74 LYS CB C 67 32.020 32.020 31.441 0.579 17827 1854 1 4 . 1 1 74 74 LYS H H 67 7.860 7.860 8.108 -0.248 17827 1855 1 4 . 1 1 75 75 LYS N N 68 121.233 121.233 115.694 5.539 17827 1856 1 4 . 1 1 75 75 LYS HA H 68 3.935 3.935 4.198 -0.263 17827 1857 1 4 . 1 1 75 75 LYS C C 68 174.183 174.183 175.595 -1.412 17827 1858 1 4 . 1 1 75 75 LYS CA C 68 53.400 53.400 55.366 -1.966 17827 1859 1 4 . 1 1 75 75 LYS CB C 68 32.200 32.200 32.174 0.026 17827 1860 1 4 . 1 1 75 75 LYS H H 68 7.500 7.500 7.365 0.135 17827 1861 1 4 . 1 1 76 76 ARG N N 69 121.125 121.125 116.978 4.147 17827 1862 1 4 . 1 1 76 76 ARG HA H 69 2.890 2.890 4.075 -1.185 17827 1863 1 4 . 1 1 76 76 ARG C C 69 173.984 173.984 175.811 -1.827 17827 1864 1 4 . 1 1 76 76 ARG CA C 69 56.316 56.316 57.072 -0.756 17827 1865 1 4 . 1 1 76 76 ARG CB C 69 27.090 27.090 26.900 0.190 17827 1866 1 4 . 1 1 76 76 ARG H H 69 7.500 7.500 8.304 -0.804 17827 1867 1 4 . 1 1 77 77 THR N N 70 110.478 110.478 112.061 -1.583 17827 1868 1 4 . 1 1 77 77 THR HA H 70 4.650 4.650 3.564 1.086 17827 1869 1 4 . 1 1 77 77 THR C C 70 171.846 171.846 172.339 -0.493 17827 1870 1 4 . 1 1 77 77 THR CA C 70 61.630 61.630 59.168 2.462 17827 1871 1 4 . 1 1 77 77 THR CB C 70 72.210 72.210 70.110 2.100 17827 1872 1 4 . 1 1 77 77 THR H H 70 6.280 6.280 7.590 -1.310 17827 1873 1 4 . 1 1 78 78 TRP N N 71 127.244 127.244 119.409 7.835 17827 1874 1 4 . 1 1 78 78 TRP HA H 71 4.750 4.750 5.525 -0.775 17827 1875 1 4 . 1 1 78 78 TRP C C 71 177.303 177.303 175.720 1.583 17827 1876 1 4 . 1 1 78 78 TRP CA C 71 56.240 56.240 55.421 0.819 17827 1877 1 4 . 1 1 78 78 TRP CB C 71 30.500 30.500 32.314 -1.814 17827 1878 1 4 . 1 1 78 78 TRP H H 71 8.795 8.795 7.888 0.907 17827 1879 1 4 . 1 1 79 79 LEU N N 72 125.202 125.202 122.347 2.855 17827 1880 1 4 . 1 1 79 79 LEU HA H 72 4.500 4.500 4.791 -0.291 17827 1881 1 4 . 1 1 79 79 LEU C C 72 175.667 175.667 176.553 -0.886 17827 1882 1 4 . 1 1 79 79 LEU CA C 72 52.510 52.510 54.285 -1.776 17827 1883 1 4 . 1 1 79 79 LEU CB C 72 38.240 38.240 41.289 -3.049 17827 1884 1 4 . 1 1 79 79 LEU H H 72 9.175 9.175 8.267 0.908 17827 1885 1 4 . 1 1 80 80 LEU N N 73 119.170 119.170 124.266 -5.096 17827 1886 1 4 . 1 1 80 80 LEU HA H 73 4.380 4.380 4.412 -0.032 17827 1887 1 4 . 1 1 80 80 LEU C C 73 178.139 178.139 176.705 1.434 17827 1888 1 4 . 1 1 80 80 LEU CA C 73 54.700 54.700 55.551 -0.851 17827 1889 1 4 . 1 1 80 80 LEU CB C 73 42.170 42.170 42.573 -0.403 17827 1890 1 4 . 1 1 80 80 LEU H H 73 7.280 7.280 8.445 -1.165 17827 1891 1 4 . 1 1 81 81 LYS N N 74 119.766 119.766 118.418 1.348 17827 1892 1 4 . 1 1 81 81 LYS HA H 74 4.435 4.435 4.318 0.117 17827 1893 1 4 . 1 1 81 81 LYS C C 74 176.601 176.601 177.165 -0.564 17827 1894 1 4 . 1 1 81 81 LYS CA C 74 54.660 54.660 56.585 -1.925 17827 1895 1 4 . 1 1 81 81 LYS CB C 74 28.540 28.540 33.280 -4.740 17827 1896 1 4 . 1 1 81 81 LYS H H 74 7.865 7.865 7.734 0.131 17827 1897 1 4 . 1 1 82 82 THR N N 75 115.636 115.636 114.124 1.512 17827 1898 1 4 . 1 1 82 82 THR HA H 75 3.800 3.800 4.293 -0.493 17827 1899 1 4 . 1 1 82 82 THR C C 75 174.806 174.806 175.100 -0.294 17827 1900 1 4 . 1 1 82 82 THR CA C 75 64.650 64.650 63.756 0.894 17827 1901 1 4 . 1 1 82 82 THR CB C 75 68.260 68.260 69.072 -0.812 17827 1902 1 4 . 1 1 82 82 THR H H 75 7.910 7.910 8.634 -0.724 17827 1903 1 4 . 1 1 83 83 HIS N N 76 116.767 116.767 118.042 -1.275 17827 1904 1 4 . 1 1 83 83 HIS C C 76 176.370 176.370 174.982 1.388 17827 1905 1 4 . 1 1 83 83 HIS CB C 76 30.210 30.210 29.561 0.649 17827 1906 1 4 . 1 1 83 83 HIS H H 76 8.965 8.965 8.262 0.703 17827 1907 1 4 . 1 1 84 84 TRP N N 77 123.905 123.905 119.390 4.515 17827 1908 1 4 . 1 1 84 84 TRP C C 77 175.584 175.584 174.992 0.592 17827 1909 1 4 . 1 1 84 84 TRP CB C 77 30.390 30.390 29.705 0.685 17827 1910 1 4 . 1 1 84 84 TRP H H 77 7.635 7.635 7.549 0.086 17827 1911 1 4 . 1 1 85 85 THR N N 78 108.440 108.440 114.814 -6.374 17827 1912 1 4 . 1 1 85 85 THR HA H 78 4.900 4.900 4.213 0.687 17827 1913 1 4 . 1 1 85 85 THR C C 78 175.691 175.691 175.899 -0.208 17827 1914 1 4 . 1 1 85 85 THR CA C 78 59.500 59.500 64.220 -4.720 17827 1915 1 4 . 1 1 85 85 THR CB C 78 70.600 70.600 69.816 0.784 17827 1916 1 4 . 1 1 85 85 THR H H 78 7.030 7.030 7.667 -0.637 17827 1917 1 4 . 1 1 86 86 LEU N N 79 119.766 119.766 121.586 -1.820 17827 1918 1 4 . 1 1 86 86 LEU HA H 79 4.040 4.040 4.057 -0.017 17827 1919 1 4 . 1 1 86 86 LEU C C 79 179.734 179.734 179.231 0.503 17827 1920 1 4 . 1 1 86 86 LEU CA C 79 58.750 58.750 59.263 -0.513 17827 1921 1 4 . 1 1 86 86 LEU CB C 79 40.450 40.450 41.562 -1.112 17827 1922 1 4 . 1 1 86 86 LEU H H 79 8.045 8.045 8.446 -0.401 17827 1923 1 4 . 1 1 87 87 ASP N N 80 118.407 118.407 118.141 0.266 17827 1924 1 4 . 1 1 87 87 ASP HA H 80 4.440 4.440 4.386 0.054 17827 1925 1 4 . 1 1 87 87 ASP C C 80 179.152 179.152 178.143 1.009 17827 1926 1 4 . 1 1 87 87 ASP CA C 80 57.320 57.320 57.090 0.230 17827 1927 1 4 . 1 1 87 87 ASP CB C 80 40.320 40.320 40.733 -0.414 17827 1928 1 4 . 1 1 87 87 ASP H H 80 8.935 8.935 8.881 0.054 17827 1929 1 4 . 1 1 88 88 LYS N N 81 123.300 123.300 118.512 4.788 17827 1930 1 4 . 1 1 88 88 LYS HA H 81 3.700 3.700 3.859 -0.159 17827 1931 1 4 . 1 1 88 88 LYS C C 81 178.721 178.721 177.931 0.790 17827 1932 1 4 . 1 1 88 88 LYS CA C 81 59.020 59.020 58.898 0.122 17827 1933 1 4 . 1 1 88 88 LYS CB C 81 31.640 31.640 32.024 -0.384 17827 1934 1 4 . 1 1 88 88 LYS H H 81 8.055 8.055 8.222 -0.167 17827 1935 1 4 . 1 1 89 89 TYR N N 82 115.690 115.690 117.508 -1.818 17827 1936 1 4 . 1 1 89 89 TYR HA H 82 4.580 4.580 4.427 0.153 17827 1937 1 4 . 1 1 89 89 TYR C C 82 176.164 176.164 176.043 0.121 17827 1938 1 4 . 1 1 89 89 TYR CA C 82 61.750 61.750 59.667 2.083 17827 1939 1 4 . 1 1 89 89 TYR CB C 82 40.750 40.750 39.772 0.979 17827 1940 1 4 . 1 1 89 89 TYR H H 82 7.730 7.730 7.609 0.121 17827 1941 1 4 . 1 1 90 90 GLY N N 83 108.212 108.212 106.506 1.706 17827 1942 1 4 . 1 1 90 90 GLY C C 83 174.555 174.555 174.203 0.352 17827 1943 1 4 . 1 1 90 90 GLY CA C 83 45.510 45.510 44.929 0.581 17827 1944 1 4 . 1 1 90 90 GLY H H 83 8.030 8.030 7.347 0.683 17827 1945 1 4 . 1 1 91 91 ILE N N 84 122.960 122.960 120.626 2.334 17827 1946 1 4 . 1 1 91 91 ILE HA H 84 3.370 3.370 4.195 -0.825 17827 1947 1 4 . 1 1 91 91 ILE C C 84 173.611 173.611 175.086 -1.475 17827 1948 1 4 . 1 1 91 91 ILE CA C 84 61.700 61.700 61.604 0.096 17827 1949 1 4 . 1 1 91 91 ILE CB C 84 37.610 37.610 39.033 -1.423 17827 1950 1 4 . 1 1 91 91 ILE H H 84 7.850 7.850 8.049 -0.199 17827 1951 1 4 . 1 1 92 92 GLN N N 85 125.429 125.429 124.192 1.237 17827 1952 1 4 . 1 1 92 92 GLN HA H 85 3.880 3.880 3.729 0.151 17827 1953 1 4 . 1 1 92 92 GLN C C 85 174.756 174.756 175.923 -1.167 17827 1954 1 4 . 1 1 92 92 GLN CA C 85 53.720 53.720 54.638 -0.918 17827 1955 1 4 . 1 1 92 92 GLN CB C 85 31.150 31.150 30.911 0.239 17827 1956 1 4 . 1 1 92 92 GLN H H 85 7.700 7.700 8.138 -0.438 17827 1957 1 4 . 1 1 93 93 ALA N N 86 118.217 118.217 120.913 -2.696 17827 1958 1 4 . 1 1 93 93 ALA HA H 86 3.800 3.800 4.376 -0.576 17827 1959 1 4 . 1 1 93 93 ALA C C 86 177.201 177.201 177.322 -0.121 17827 1960 1 4 . 1 1 93 93 ALA CA C 86 54.080 54.080 53.205 0.875 17827 1961 1 4 . 1 1 93 93 ALA CB C 86 18.410 18.410 18.725 -0.315 17827 1962 1 4 . 1 1 93 93 ALA H H 86 6.886 6.886 8.112 -1.226 17827 1963 1 4 . 1 1 94 94 ASP N N 87 113.647 113.647 117.765 -4.118 17827 1964 1 4 . 1 1 94 94 ASP HA H 87 4.420 4.420 4.560 -0.140 17827 1965 1 4 . 1 1 94 94 ASP C C 87 176.218 176.218 175.207 1.011 17827 1966 1 4 . 1 1 94 94 ASP CA C 87 54.060 54.060 53.825 0.235 17827 1967 1 4 . 1 1 94 94 ASP CB C 87 39.600 39.600 40.871 -1.272 17827 1968 1 4 . 1 1 94 94 ASP H H 87 8.223 8.223 8.046 0.177 17827 1969 1 4 . 1 1 95 95 ALA N N 88 124.145 124.145 123.253 0.892 17827 1970 1 4 . 1 1 95 95 ALA HA H 88 4.306 4.306 4.606 -0.300 17827 1971 1 4 . 1 1 95 95 ALA C C 88 176.630 176.630 176.296 0.334 17827 1972 1 4 . 1 1 95 95 ALA CA C 88 53.320 53.320 51.561 1.759 17827 1973 1 4 . 1 1 95 95 ALA CB C 88 20.020 20.020 19.558 0.462 17827 1974 1 4 . 1 1 95 95 ALA H H 88 7.941 7.941 7.118 0.823 17827 1975 1 4 . 1 1 96 96 LYS N N 89 120.897 120.897 126.084 -5.187 17827 1976 1 4 . 1 1 96 96 LYS HA H 89 4.826 4.826 4.660 0.166 17827 1977 1 4 . 1 1 96 96 LYS C C 89 176.161 176.161 176.117 0.044 17827 1978 1 4 . 1 1 96 96 LYS CA C 89 54.736 54.736 55.313 -0.577 17827 1979 1 4 . 1 1 96 96 LYS CB C 89 32.390 32.390 32.578 -0.188 17827 1980 1 4 . 1 1 96 96 LYS H H 89 8.500 8.500 8.603 -0.103 17827 1981 1 4 . 1 1 97 97 LEU N N 90 122.960 122.960 124.011 -1.051 17827 1982 1 4 . 1 1 97 97 LEU HA H 90 5.075 5.075 4.453 0.622 17827 1983 1 4 . 1 1 97 97 LEU C C 90 176.394 176.394 177.170 -0.776 17827 1984 1 4 . 1 1 97 97 LEU CA C 90 53.060 53.060 54.189 -1.129 17827 1985 1 4 . 1 1 97 97 LEU CB C 90 44.850 44.850 43.248 1.602 17827 1986 1 4 . 1 1 97 97 LEU H H 90 8.566 8.566 8.862 -0.296 17827 1987 1 4 . 1 1 98 98 GLN N N 91 119.538 119.538 116.137 3.401 17827 1988 1 4 . 1 1 98 98 GLN HA H 91 5.710 5.710 4.901 0.809 17827 1989 1 4 . 1 1 98 98 GLN C C 91 174.144 174.144 174.558 -0.414 17827 1990 1 4 . 1 1 98 98 GLN CA C 91 54.360 54.360 54.784 -0.424 17827 1991 1 4 . 1 1 98 98 GLN CB C 91 32.290 32.290 32.905 -0.615 17827 1992 1 4 . 1 1 98 98 GLN H H 91 9.060 9.060 8.138 0.922 17827 1993 1 4 . 1 1 99 99 PHE N N 92 125.674 125.674 120.395 5.279 17827 1994 1 4 . 1 1 99 99 PHE HA H 92 5.700 5.700 5.336 0.364 17827 1995 1 4 . 1 1 99 99 PHE C C 92 174.537 174.537 173.993 0.544 17827 1996 1 4 . 1 1 99 99 PHE CA C 92 54.190 54.190 56.634 -2.444 17827 1997 1 4 . 1 1 99 99 PHE CB C 92 41.080 41.080 43.650 -2.570 17827 1998 1 4 . 1 1 99 99 PHE H H 92 9.290 9.290 9.712 -0.422 17827 1999 1 4 . 1 1 100 100 THR N N 93 124.543 124.543 118.272 6.271 17827 2000 1 4 . 1 1 100 100 THR HA H 93 5.100 5.100 4.948 0.152 17827 2001 1 4 . 1 1 100 100 THR C C 93 180.164 180.164 171.705 8.459 17827 2002 1 4 . 1 1 100 100 THR CA C 93 58.830 58.830 59.277 -0.447 17827 2003 1 4 . 1 1 100 100 THR CB C 93 73.610 73.610 71.370 2.240 17827 2004 1 4 . 1 1 100 100 THR H H 93 8.945 8.945 8.782 0.163 17827 2005 1 5 . 1 1 9 9 ALA N N 2 124.336 124.336 123.620 0.716 17827 2006 1 5 . 1 1 9 9 ALA HA H 2 4.210 4.210 4.515 -0.305 17827 2007 1 5 . 1 1 9 9 ALA C C 2 177.598 177.598 176.267 1.331 17827 2008 1 5 . 1 1 9 9 ALA CA C 2 52.440 52.440 51.623 0.817 17827 2009 1 5 . 1 1 9 9 ALA CB C 2 19.030 19.030 19.491 -0.461 17827 2010 1 5 . 1 1 9 9 ALA H H 2 8.018 8.018 8.282 -0.264 17827 2011 1 5 . 1 1 10 10 LEU N N 3 121.125 121.125 122.128 -1.003 17827 2012 1 5 . 1 1 10 10 LEU HA H 3 4.210 4.210 4.155 0.055 17827 2013 1 5 . 1 1 10 10 LEU C C 3 177.094 177.094 176.916 0.178 17827 2014 1 5 . 1 1 10 10 LEU CA C 3 55.320 55.320 56.656 -1.336 17827 2015 1 5 . 1 1 10 10 LEU CB C 3 42.170 42.170 42.248 -0.078 17827 2016 1 5 . 1 1 10 10 LEU H H 3 8.057 8.057 8.402 -0.345 17827 2017 1 5 . 1 1 11 11 ASP N N 4 119.766 119.766 115.248 4.518 17827 2018 1 5 . 1 1 11 11 ASP HA H 4 4.475 4.475 4.601 -0.126 17827 2019 1 5 . 1 1 11 11 ASP C C 4 176.509 176.509 175.916 0.593 17827 2020 1 5 . 1 1 11 11 ASP CA C 4 54.550 54.550 54.127 0.423 17827 2021 1 5 . 1 1 11 11 ASP CB C 4 40.950 40.950 41.516 -0.566 17827 2022 1 5 . 1 1 11 11 ASP H H 4 8.145 8.145 7.997 0.148 17827 2023 1 5 . 1 1 12 12 GLY N N 5 108.440 108.440 108.665 -0.225 17827 2024 1 5 . 1 1 12 12 GLY C C 5 173.692 173.692 175.235 -1.543 17827 2025 1 5 . 1 1 12 12 GLY CA C 5 45.310 45.310 44.022 1.288 17827 2026 1 5 . 1 1 12 12 GLY H H 5 8.110 8.110 8.138 -0.028 17827 2027 1 5 . 1 1 13 13 ILE N N 6 119.766 119.766 118.859 0.907 17827 2028 1 5 . 1 1 13 13 ILE HA H 6 4.100 4.100 3.674 0.426 17827 2029 1 5 . 1 1 13 13 ILE C C 6 175.525 175.525 176.625 -1.100 17827 2030 1 5 . 1 1 13 13 ILE CA C 6 60.710 60.710 64.162 -3.452 17827 2031 1 5 . 1 1 13 13 ILE CB C 6 38.430 38.430 38.119 0.311 17827 2032 1 5 . 1 1 13 13 ILE H H 6 7.790 7.790 7.280 0.510 17827 2033 1 5 . 1 1 14 14 ARG N N 7 125.657 125.657 117.617 8.040 17827 2034 1 5 . 1 1 14 14 ARG HA H 7 4.210 4.210 4.386 -0.176 17827 2035 1 5 . 1 1 14 14 ARG C C 7 175.810 175.810 174.944 0.866 17827 2036 1 5 . 1 1 14 14 ARG CA C 7 55.640 55.640 56.542 -0.902 17827 2037 1 5 . 1 1 14 14 ARG CB C 7 30.990 30.990 31.237 -0.247 17827 2038 1 5 . 1 1 14 14 ARG H H 7 8.410 8.410 8.034 0.376 17827 2039 1 5 . 1 1 15 15 MET N N 8 123.598 123.598 118.548 5.050 17827 2040 1 5 . 1 1 15 15 MET HA H 8 4.210 4.210 5.002 -0.792 17827 2041 1 5 . 1 1 15 15 MET C C 8 174.950 174.950 174.607 0.343 17827 2042 1 5 . 1 1 15 15 MET CA C 8 55.330 55.330 52.765 2.565 17827 2043 1 5 . 1 1 15 15 MET CB C 8 31.730 31.730 33.182 -1.452 17827 2044 1 5 . 1 1 15 15 MET H H 8 8.495 8.495 7.676 0.819 17827 2045 1 5 . 1 1 16 16 PRO HA H 9 4.290 4.290 4.502 -0.212 17827 2046 1 5 . 1 1 16 16 PRO C C 9 176.228 176.228 176.047 0.181 17827 2047 1 5 . 1 1 16 16 PRO CA C 9 63.370 63.370 64.312 -0.942 17827 2048 1 5 . 1 1 16 16 PRO CB C 9 31.820 31.820 30.622 1.198 17827 2049 1 5 . 1 1 17 17 ASP N N 10 117.952 117.952 116.613 1.339 17827 2050 1 5 . 1 1 17 17 ASP HA H 10 4.420 4.420 4.618 -0.198 17827 2051 1 5 . 1 1 17 17 ASP C C 10 176.714 176.714 176.976 -0.262 17827 2052 1 5 . 1 1 17 17 ASP CA C 10 54.130 54.130 53.114 1.016 17827 2053 1 5 . 1 1 17 17 ASP CB C 10 40.430 40.430 41.418 -0.988 17827 2054 1 5 . 1 1 17 17 ASP H H 10 8.076 8.076 8.257 -0.181 17827 2055 1 5 . 1 1 18 18 GLY N N 11 108.663 108.663 106.213 2.450 17827 2056 1 5 . 1 1 18 18 GLY C C 11 173.819 173.819 175.593 -1.774 17827 2057 1 5 . 1 1 18 18 GLY CA C 11 45.300 45.300 45.664 -0.364 17827 2058 1 5 . 1 1 18 18 GLY H H 11 8.255 8.255 7.951 0.304 17827 2059 1 5 . 1 1 19 19 CYS N N 12 118.179 118.179 122.044 -3.865 17827 2060 1 5 . 1 1 19 19 CYS HA H 12 4.550 4.550 4.386 0.164 17827 2061 1 5 . 1 1 19 19 CYS C C 12 174.073 174.073 174.358 -0.285 17827 2062 1 5 . 1 1 19 19 CYS CA C 12 58.420 58.420 61.406 -2.986 17827 2063 1 5 . 1 1 19 19 CYS CB C 12 28.400 28.400 28.311 0.089 17827 2064 1 5 . 1 1 19 19 CYS H H 12 7.850 7.850 8.439 -0.589 17827 2065 1 5 . 1 1 20 20 TYR N N 13 120.897 120.897 115.714 5.183 17827 2066 1 5 . 1 1 20 20 TYR HA H 13 4.550 4.550 4.570 -0.020 17827 2067 1 5 . 1 1 20 20 TYR C C 13 176.748 176.748 174.082 2.666 17827 2068 1 5 . 1 1 20 20 TYR CA C 13 58.470 58.470 57.893 0.577 17827 2069 1 5 . 1 1 20 20 TYR CB C 13 39.210 39.210 40.418 -1.208 17827 2070 1 5 . 1 1 20 20 TYR H H 13 8.550 8.550 7.919 0.631 17827 2071 1 5 . 1 1 21 21 ALA N N 14 124.750 124.750 124.913 -0.163 17827 2072 1 5 . 1 1 21 21 ALA HA H 14 4.190 4.190 4.421 -0.231 17827 2073 1 5 . 1 1 21 21 ALA C C 14 177.181 177.181 177.232 -0.051 17827 2074 1 5 . 1 1 21 21 ALA CA C 14 53.530 53.530 51.907 1.623 17827 2075 1 5 . 1 1 21 21 ALA CB C 14 18.630 18.630 19.150 -0.520 17827 2076 1 5 . 1 1 21 21 ALA H H 14 8.615 8.615 8.400 0.214 17827 2077 1 5 . 1 1 22 22 ASP N N 15 117.500 117.500 125.028 -7.528 17827 2078 1 5 . 1 1 22 22 ASP HA H 15 4.480 4.480 4.539 -0.059 17827 2079 1 5 . 1 1 22 22 ASP C C 15 176.708 176.708 177.114 -0.406 17827 2080 1 5 . 1 1 22 22 ASP CA C 15 53.500 53.500 53.670 -0.170 17827 2081 1 5 . 1 1 22 22 ASP CB C 15 40.730 40.730 40.944 -0.214 17827 2082 1 5 . 1 1 22 22 ASP H H 15 7.960 7.960 8.793 -0.833 17827 2083 1 5 . 1 1 23 23 GLY N N 16 108.891 108.891 108.318 0.573 17827 2084 1 5 . 1 1 23 23 GLY C C 16 174.373 174.373 174.811 -0.438 17827 2085 1 5 . 1 1 23 23 GLY CA C 16 45.370 45.370 45.096 0.274 17827 2086 1 5 . 1 1 23 23 GLY H H 16 8.344 8.344 8.076 0.268 17827 2087 1 5 . 1 1 24 24 THR N N 17 110.929 110.929 113.680 -2.751 17827 2088 1 5 . 1 1 24 24 THR HA H 17 4.640 4.640 3.965 0.675 17827 2089 1 5 . 1 1 24 24 THR C C 17 173.620 173.620 173.770 -0.150 17827 2090 1 5 . 1 1 24 24 THR CA C 17 60.540 60.540 61.587 -1.047 17827 2091 1 5 . 1 1 24 24 THR CB C 17 72.100 72.100 69.838 2.263 17827 2092 1 5 . 1 1 24 24 THR H H 17 7.850 7.850 7.761 0.088 17827 2093 1 5 . 1 1 25 25 TRP N N 18 117.728 117.728 119.105 -1.377 17827 2094 1 5 . 1 1 25 25 TRP HA H 18 4.945 4.945 4.998 -0.053 17827 2095 1 5 . 1 1 25 25 TRP C C 18 174.164 174.164 173.950 0.214 17827 2096 1 5 . 1 1 25 25 TRP CA C 18 54.620 54.620 56.264 -1.644 17827 2097 1 5 . 1 1 25 25 TRP CB C 18 30.650 30.650 31.001 -0.351 17827 2098 1 5 . 1 1 25 25 TRP H H 18 8.640 8.640 7.810 0.830 17827 2099 1 5 . 1 1 26 26 GLU N N 19 117.728 117.728 118.845 -1.117 17827 2100 1 5 . 1 1 26 26 GLU HA H 19 4.851 4.851 4.859 -0.008 17827 2101 1 5 . 1 1 26 26 GLU C C 19 174.786 174.786 174.458 0.328 17827 2102 1 5 . 1 1 26 26 GLU CA C 19 55.710 55.710 54.962 0.748 17827 2103 1 5 . 1 1 26 26 GLU CB C 19 31.500 31.500 33.306 -1.806 17827 2104 1 5 . 1 1 26 26 GLU H H 19 8.744 8.744 8.499 0.245 17827 2105 1 5 . 1 1 27 27 LEU N N 20 126.668 126.668 118.915 7.753 17827 2106 1 5 . 1 1 27 27 LEU HA H 20 4.880 4.880 4.779 0.101 17827 2107 1 5 . 1 1 27 27 LEU C C 20 175.123 175.123 175.156 -0.033 17827 2108 1 5 . 1 1 27 27 LEU CA C 20 53.252 53.252 53.603 -0.352 17827 2109 1 5 . 1 1 27 27 LEU CB C 20 45.280 45.280 47.038 -1.758 17827 2110 1 5 . 1 1 27 27 LEU H H 20 8.980 8.980 8.745 0.235 17827 2111 1 5 . 1 1 28 28 SER N N 21 121.804 121.804 116.809 4.995 17827 2112 1 5 . 1 1 28 28 SER HA H 21 4.894 4.894 4.864 0.030 17827 2113 1 5 . 1 1 28 28 SER C C 21 173.483 173.483 172.636 0.847 17827 2114 1 5 . 1 1 28 28 SER CA C 21 57.880 57.880 57.563 0.317 17827 2115 1 5 . 1 1 28 28 SER CB C 21 63.920 63.920 64.392 -0.472 17827 2116 1 5 . 1 1 28 28 SER H H 21 8.785 8.785 8.379 0.406 17827 2117 1 5 . 1 1 29 29 VAL N N 22 125.881 125.881 123.039 2.842 17827 2118 1 5 . 1 1 29 29 VAL HA H 22 4.370 4.370 4.426 -0.056 17827 2119 1 5 . 1 1 29 29 VAL C C 22 173.953 173.953 174.580 -0.627 17827 2120 1 5 . 1 1 29 29 VAL CA C 22 60.440 60.440 60.564 -0.124 17827 2121 1 5 . 1 1 29 29 VAL CB C 22 34.350 34.350 35.321 -0.971 17827 2122 1 5 . 1 1 29 29 VAL H H 22 8.865 8.865 8.342 0.523 17827 2123 1 5 . 1 1 30 30 HIS N N 23 126.560 126.560 123.129 3.431 17827 2124 1 5 . 1 1 30 30 HIS HA H 23 5.220 5.220 4.783 0.437 17827 2125 1 5 . 1 1 30 30 HIS C C 23 174.596 174.596 174.158 0.438 17827 2126 1 5 . 1 1 30 30 HIS CA C 23 55.250 55.250 55.525 -0.275 17827 2127 1 5 . 1 1 30 30 HIS CB C 23 30.550 30.550 32.659 -2.109 17827 2128 1 5 . 1 1 30 30 HIS H H 23 8.810 8.810 8.551 0.259 17827 2129 1 5 . 1 1 31 31 VAL N N 24 130.587 130.587 126.515 4.072 17827 2130 1 5 . 1 1 31 31 VAL HA H 24 5.230 5.230 4.653 0.577 17827 2131 1 5 . 1 1 31 31 VAL C C 24 177.426 177.426 177.060 0.366 17827 2132 1 5 . 1 1 31 31 VAL CA C 24 55.530 55.530 61.809 -6.279 17827 2133 1 5 . 1 1 31 31 VAL CB C 24 31.040 31.040 30.929 0.111 17827 2134 1 5 . 1 1 31 31 VAL H H 24 9.043 9.043 8.567 0.476 17827 2135 1 5 . 1 1 32 32 THR N N 25 122.484 122.484 120.064 2.420 17827 2136 1 5 . 1 1 32 32 THR HA H 25 3.970 3.970 4.379 -0.409 17827 2137 1 5 . 1 1 32 32 THR C C 25 177.437 177.437 175.926 1.511 17827 2138 1 5 . 1 1 32 32 THR CA C 25 66.470 66.470 64.013 2.457 17827 2139 1 5 . 1 1 32 32 THR CB C 25 68.220 68.220 69.171 -0.951 17827 2140 1 5 . 1 1 32 32 THR H H 25 8.245 8.245 8.696 -0.451 17827 2141 1 5 . 1 1 34 34 VAL N N 27 114.090 114.090 115.547 -1.457 17827 2142 1 5 . 1 1 34 34 VAL HA H 27 4.500 4.500 4.180 0.320 17827 2143 1 5 . 1 1 34 34 VAL CA C 27 54.220 54.220 62.198 -7.978 17827 2144 1 5 . 1 1 34 34 VAL CB C 27 27.060 27.060 33.656 -6.596 17827 2145 1 5 . 1 1 34 34 VAL H H 27 6.977 6.977 7.443 -0.466 17827 2146 1 5 . 1 1 35 35 ASN N N 28 116.829 116.829 117.094 -0.265 17827 2147 1 5 . 1 1 35 35 ASN HA H 28 4.299 4.299 4.527 -0.228 17827 2148 1 5 . 1 1 35 35 ASN CA C 28 53.650 53.650 54.488 -0.838 17827 2149 1 5 . 1 1 35 35 ASN CB C 28 37.110 37.110 37.564 -0.454 17827 2150 1 5 . 1 1 35 35 ASN H H 28 7.897 7.897 7.938 -0.041 17827 2151 1 5 . 1 1 36 36 ARG N N 29 114.310 114.310 116.622 -2.312 17827 2152 1 5 . 1 1 36 36 ARG HA H 29 4.700 4.700 4.719 -0.019 17827 2153 1 5 . 1 1 36 36 ARG C C 29 173.347 173.347 173.953 -0.606 17827 2154 1 5 . 1 1 36 36 ARG CA C 29 54.900 54.900 54.624 0.276 17827 2155 1 5 . 1 1 36 36 ARG CB C 29 34.700 34.700 32.432 2.268 17827 2156 1 5 . 1 1 36 36 ARG H H 29 6.787 6.787 7.715 -0.928 17827 2157 1 5 . 1 1 37 37 ASP N N 30 124.071 124.071 118.312 5.759 17827 2158 1 5 . 1 1 37 37 ASP HA H 30 5.475 5.475 4.681 0.794 17827 2159 1 5 . 1 1 37 37 ASP C C 30 175.354 175.354 174.650 0.704 17827 2160 1 5 . 1 1 37 37 ASP CA C 30 53.660 53.660 53.163 0.497 17827 2161 1 5 . 1 1 37 37 ASP CB C 30 42.260 42.260 42.400 -0.140 17827 2162 1 5 . 1 1 37 37 ASP H H 30 8.760 8.760 8.364 0.396 17827 2163 1 5 . 1 1 38 38 VAL N N 31 123.300 123.300 118.424 4.876 17827 2164 1 5 . 1 1 38 38 VAL HA H 31 4.270 4.270 4.493 -0.223 17827 2165 1 5 . 1 1 38 38 VAL C C 31 174.203 174.203 174.471 -0.268 17827 2166 1 5 . 1 1 38 38 VAL CA C 31 60.700 60.700 60.486 0.214 17827 2167 1 5 . 1 1 38 38 VAL CB C 31 34.620 34.620 36.345 -1.725 17827 2168 1 5 . 1 1 38 38 VAL H H 31 9.187 9.187 7.895 1.292 17827 2169 1 5 . 1 1 39 39 THR N N 32 119.766 119.766 113.169 6.597 17827 2170 1 5 . 1 1 39 39 THR HA H 32 5.095 5.095 4.967 0.128 17827 2171 1 5 . 1 1 39 39 THR C C 32 173.547 173.547 173.226 0.321 17827 2172 1 5 . 1 1 39 39 THR CA C 32 60.550 60.550 59.850 0.700 17827 2173 1 5 . 1 1 39 39 THR CB C 32 70.170 70.170 71.065 -0.895 17827 2174 1 5 . 1 1 39 39 THR H H 32 8.360 8.360 8.057 0.303 17827 2175 1 5 . 1 1 40 40 LEU N N 33 124.522 124.522 122.379 2.143 17827 2176 1 5 . 1 1 40 40 LEU HA H 33 4.590 4.590 4.660 -0.070 17827 2177 1 5 . 1 1 40 40 LEU C C 33 174.691 174.691 175.793 -1.102 17827 2178 1 5 . 1 1 40 40 LEU CA C 33 52.580 52.580 53.767 -1.187 17827 2179 1 5 . 1 1 40 40 LEU CB C 33 45.410 45.410 44.490 0.920 17827 2180 1 5 . 1 1 40 40 LEU H H 33 8.750 8.750 8.254 0.496 17827 2181 1 5 . 1 1 41 41 ARG N N 34 122.712 122.712 124.550 -1.838 17827 2182 1 5 . 1 1 41 41 ARG HA H 34 4.680 4.680 4.729 -0.049 17827 2183 1 5 . 1 1 41 41 ARG C C 34 175.700 175.700 174.434 1.266 17827 2184 1 5 . 1 1 41 41 ARG CA C 34 55.420 55.420 54.940 0.480 17827 2185 1 5 . 1 1 41 41 ARG CB C 34 29.500 29.500 29.445 0.055 17827 2186 1 5 . 1 1 41 41 ARG H H 34 8.345 8.345 8.768 -0.423 17827 2187 1 5 . 1 1 42 42 VAL N N 35 117.728 117.728 117.835 -0.107 17827 2188 1 5 . 1 1 42 42 VAL HA H 35 4.465 4.465 4.551 -0.086 17827 2189 1 5 . 1 1 42 42 VAL C C 35 173.184 173.184 173.581 -0.397 17827 2190 1 5 . 1 1 42 42 VAL CA C 35 58.670 58.670 59.139 -0.469 17827 2191 1 5 . 1 1 42 42 VAL CB C 35 36.050 36.050 35.550 0.500 17827 2192 1 5 . 1 1 42 42 VAL H H 35 8.640 8.640 7.773 0.867 17827 2193 1 5 . 1 1 43 43 THR N N 36 104.359 104.359 108.652 -4.293 17827 2194 1 5 . 1 1 43 43 THR HA H 36 4.660 4.660 2.436 2.224 17827 2195 1 5 . 1 1 43 43 THR C C 36 174.862 174.862 175.133 -0.271 17827 2196 1 5 . 1 1 43 43 THR CA C 36 59.010 59.010 59.355 -0.345 17827 2197 1 5 . 1 1 43 43 THR CB C 36 71.570 71.570 70.833 0.737 17827 2198 1 5 . 1 1 43 43 THR H H 36 6.220 6.220 7.989 -1.770 17827 2199 1 5 . 1 1 44 44 GLY N N 37 105.946 105.946 106.422 -0.476 17827 2200 1 5 . 1 1 44 44 GLY C C 37 173.394 173.394 174.435 -1.041 17827 2201 1 5 . 1 1 44 44 GLY CA C 37 46.830 46.830 46.559 0.271 17827 2202 1 5 . 1 1 44 44 GLY H H 37 9.160 9.160 8.340 0.820 17827 2203 1 5 . 1 1 45 45 GLU N N 38 113.875 113.875 117.254 -3.379 17827 2204 1 5 . 1 1 45 45 GLU HA H 38 4.290 4.290 4.239 0.051 17827 2205 1 5 . 1 1 45 45 GLU C C 38 176.167 176.167 176.556 -0.389 17827 2206 1 5 . 1 1 45 45 GLU CA C 38 55.500 55.500 56.068 -0.568 17827 2207 1 5 . 1 1 45 45 GLU CB C 38 30.950 30.950 29.778 1.172 17827 2208 1 5 . 1 1 45 45 GLU H H 38 7.500 7.500 7.270 0.230 17827 2209 1 5 . 1 1 46 46 VAL N N 39 121.577 121.577 122.102 -0.525 17827 2210 1 5 . 1 1 46 46 VAL HA H 39 3.820 3.820 3.973 -0.153 17827 2211 1 5 . 1 1 46 46 VAL C C 39 174.651 174.651 174.924 -0.273 17827 2212 1 5 . 1 1 46 46 VAL CA C 39 63.920 63.920 61.637 2.283 17827 2213 1 5 . 1 1 46 46 VAL CB C 39 31.590 31.590 33.154 -1.564 17827 2214 1 5 . 1 1 46 46 VAL H H 39 7.260 7.260 7.647 -0.387 17827 2215 1 5 . 1 1 47 47 HIS N N 40 123.391 123.391 126.336 -2.945 17827 2216 1 5 . 1 1 47 47 HIS HA H 40 5.212 5.212 4.615 0.597 17827 2217 1 5 . 1 1 47 47 HIS C C 40 177.440 177.440 176.572 0.868 17827 2218 1 5 . 1 1 47 47 HIS CA C 40 54.660 54.660 57.046 -2.386 17827 2219 1 5 . 1 1 47 47 HIS CB C 40 30.910 30.910 31.164 -0.254 17827 2220 1 5 . 1 1 47 47 HIS H H 40 8.285 8.285 8.379 -0.094 17827 2221 1 5 . 1 1 48 48 ILE N N 41 124.071 124.071 124.194 -0.123 17827 2222 1 5 . 1 1 48 48 ILE HA H 41 3.530 3.530 3.830 -0.300 17827 2223 1 5 . 1 1 48 48 ILE C C 41 178.941 178.941 178.168 0.773 17827 2224 1 5 . 1 1 48 48 ILE CA C 41 62.330 62.330 65.476 -3.146 17827 2225 1 5 . 1 1 48 48 ILE CB C 41 34.230 34.230 37.839 -3.609 17827 2226 1 5 . 1 1 48 48 ILE H H 41 8.863 8.863 8.728 0.135 17827 2227 1 5 . 1 1 49 49 GLY N N 42 106.853 106.853 105.063 1.790 17827 2228 1 5 . 1 1 49 49 GLY C C 42 175.669 175.669 175.658 0.011 17827 2229 1 5 . 1 1 49 49 GLY CA C 42 45.320 45.320 46.367 -1.047 17827 2230 1 5 . 1 1 49 49 GLY H H 42 9.720 9.720 8.724 0.996 17827 2231 1 5 . 1 1 50 50 GLY N N 43 109.571 109.571 109.442 0.129 17827 2232 1 5 . 1 1 50 50 GLY C C 43 175.847 175.847 175.299 0.548 17827 2233 1 5 . 1 1 50 50 GLY CA C 43 47.000 47.000 45.565 1.435 17827 2234 1 5 . 1 1 50 50 GLY H H 43 6.950 6.950 8.272 -1.322 17827 2235 1 5 . 1 1 51 51 VAL N N 44 123.163 123.163 124.642 -1.479 17827 2236 1 5 . 1 1 51 51 VAL HA H 44 3.115 3.115 3.547 -0.432 17827 2237 1 5 . 1 1 51 51 VAL C C 44 176.804 176.804 177.806 -1.002 17827 2238 1 5 . 1 1 51 51 VAL CA C 44 66.660 66.660 67.149 -0.489 17827 2239 1 5 . 1 1 51 51 VAL CB C 44 30.730 30.730 32.097 -1.367 17827 2240 1 5 . 1 1 51 51 VAL H H 44 7.860 7.860 8.718 -0.858 17827 2241 1 5 . 1 1 52 52 MET N N 45 115.913 115.913 117.543 -1.630 17827 2242 1 5 . 1 1 52 52 MET HA H 45 3.410 3.410 4.065 -0.655 17827 2243 1 5 . 1 1 52 52 MET C C 45 176.881 176.881 178.090 -1.209 17827 2244 1 5 . 1 1 52 52 MET CA C 45 59.830 59.830 59.480 0.350 17827 2245 1 5 . 1 1 52 52 MET CB C 45 32.310 32.310 31.682 0.628 17827 2246 1 5 . 1 1 52 52 MET H H 45 7.940 7.940 7.786 0.154 17827 2247 1 5 . 1 1 53 53 LEU N N 46 118.291 118.291 120.806 -2.515 17827 2248 1 5 . 1 1 53 53 LEU HA H 46 3.940 3.940 4.014 -0.074 17827 2249 1 5 . 1 1 53 53 LEU C C 46 179.178 179.178 179.154 0.024 17827 2250 1 5 . 1 1 53 53 LEU CA C 46 58.500 58.500 57.829 0.671 17827 2251 1 5 . 1 1 53 53 LEU CB C 46 41.930 41.930 41.195 0.735 17827 2252 1 5 . 1 1 53 53 LEU H H 46 7.550 7.550 7.699 -0.149 17827 2253 1 5 . 1 1 54 54 LYS N N 47 118.142 118.142 119.397 -1.255 17827 2254 1 5 . 1 1 54 54 LYS HA H 47 3.870 3.870 3.990 -0.120 17827 2255 1 5 . 1 1 54 54 LYS C C 47 178.616 178.616 179.254 -0.638 17827 2256 1 5 . 1 1 54 54 LYS CA C 47 57.980 57.980 59.332 -1.352 17827 2257 1 5 . 1 1 54 54 LYS CB C 47 32.320 32.320 32.129 0.191 17827 2258 1 5 . 1 1 54 54 LYS H H 47 7.665 7.665 8.565 -0.900 17827 2259 1 5 . 1 1 55 55 LEU N N 48 119.385 119.385 120.639 -1.254 17827 2260 1 5 . 1 1 55 55 LEU HA H 48 3.570 3.570 4.256 -0.686 17827 2261 1 5 . 1 1 55 55 LEU C C 48 177.405 177.405 177.742 -0.337 17827 2262 1 5 . 1 1 55 55 LEU CA C 48 57.790 57.790 57.750 0.040 17827 2263 1 5 . 1 1 55 55 LEU CB C 48 41.590 41.590 42.086 -0.496 17827 2264 1 5 . 1 1 55 55 LEU H H 48 7.975 7.975 7.816 0.159 17827 2265 1 5 . 1 1 56 56 VAL N N 49 116.141 116.141 120.194 -4.053 17827 2266 1 5 . 1 1 56 56 VAL HA H 49 2.990 2.990 3.465 -0.475 17827 2267 1 5 . 1 1 56 56 VAL C C 49 178.564 178.564 178.073 0.491 17827 2268 1 5 . 1 1 56 56 VAL CA C 49 66.310 66.310 67.231 -0.921 17827 2269 1 5 . 1 1 56 56 VAL CB C 49 31.300 31.300 31.812 -0.512 17827 2270 1 5 . 1 1 56 56 VAL H H 49 7.615 7.615 8.911 -1.296 17827 2271 1 5 . 1 1 57 57 GLU N N 50 118.631 118.631 118.300 0.331 17827 2272 1 5 . 1 1 57 57 GLU HA H 50 3.965 3.965 4.004 -0.039 17827 2273 1 5 . 1 1 57 57 GLU C C 50 178.030 178.030 178.452 -0.422 17827 2274 1 5 . 1 1 57 57 GLU CA C 50 58.500 58.500 58.863 -0.363 17827 2275 1 5 . 1 1 57 57 GLU CB C 50 29.610 29.610 29.535 0.075 17827 2276 1 5 . 1 1 57 57 GLU H H 50 7.575 7.575 8.733 -1.158 17827 2277 1 5 . 1 1 58 58 LYS N N 51 117.053 117.053 118.912 -1.859 17827 2278 1 5 . 1 1 58 58 LYS HA H 51 4.130 4.130 4.103 0.027 17827 2279 1 5 . 1 1 58 58 LYS C C 51 176.956 176.956 177.577 -0.621 17827 2280 1 5 . 1 1 58 58 LYS CA C 51 56.660 56.660 58.622 -1.962 17827 2281 1 5 . 1 1 58 58 LYS CB C 51 32.660 32.660 33.151 -0.491 17827 2282 1 5 . 1 1 58 58 LYS H H 51 7.490 7.490 7.368 0.122 17827 2283 1 5 . 1 1 59 59 LEU N N 52 119.460 119.460 119.980 -0.520 17827 2284 1 5 . 1 1 59 59 LEU HA H 52 4.122 4.122 4.274 -0.152 17827 2285 1 5 . 1 1 59 59 LEU C C 52 176.645 176.645 176.986 -0.341 17827 2286 1 5 . 1 1 59 59 LEU CA C 52 56.660 56.660 54.797 1.863 17827 2287 1 5 . 1 1 59 59 LEU CB C 52 42.700 42.700 41.044 1.656 17827 2288 1 5 . 1 1 59 59 LEU H H 52 7.470 7.470 8.137 -0.667 17827 2289 1 5 . 1 1 62 62 LYS C C 55 175.670 175.670 175.333 0.337 17827 2290 1 5 . 1 1 63 63 LYS N N 56 122.430 122.430 120.924 1.506 17827 2291 1 5 . 1 1 63 63 LYS HA H 56 4.030 4.030 4.462 -0.432 17827 2292 1 5 . 1 1 63 63 LYS C C 56 172.850 172.850 176.302 -3.452 17827 2293 1 5 . 1 1 63 63 LYS CA C 56 54.530 54.530 56.322 -1.792 17827 2294 1 5 . 1 1 63 63 LYS CB C 56 34.440 34.440 33.277 1.163 17827 2295 1 5 . 1 1 63 63 LYS H H 56 7.245 7.245 8.219 -0.974 17827 2296 1 5 . 1 1 64 64 ASP N N 57 118.867 118.867 121.565 -2.698 17827 2297 1 5 . 1 1 64 64 ASP HA H 57 4.530 4.530 4.702 -0.172 17827 2298 1 5 . 1 1 64 64 ASP C C 57 176.710 176.710 175.787 0.923 17827 2299 1 5 . 1 1 64 64 ASP CA C 57 52.500 52.500 54.395 -1.895 17827 2300 1 5 . 1 1 64 64 ASP CB C 57 40.320 40.320 42.077 -1.757 17827 2301 1 5 . 1 1 64 64 ASP H H 57 7.867 7.867 8.657 -0.790 17827 2302 1 5 . 1 1 65 65 TRP N N 58 128.827 128.827 122.998 5.829 17827 2303 1 5 . 1 1 65 65 TRP HA H 58 4.540 4.540 4.756 -0.216 17827 2304 1 5 . 1 1 65 65 TRP C C 58 178.390 178.390 177.057 1.333 17827 2305 1 5 . 1 1 65 65 TRP CA C 58 52.860 52.860 57.831 -4.971 17827 2306 1 5 . 1 1 65 65 TRP CB C 58 29.420 29.420 29.936 -0.516 17827 2307 1 5 . 1 1 65 65 TRP H H 58 8.790 8.790 8.206 0.584 17827 2308 1 5 . 1 1 66 66 SER N N 59 117.724 117.724 115.282 2.442 17827 2309 1 5 . 1 1 66 66 SER HA H 59 4.143 4.143 3.695 0.448 17827 2310 1 5 . 1 1 66 66 SER C C 59 174.471 174.471 173.800 0.671 17827 2311 1 5 . 1 1 66 66 SER CA C 59 62.350 62.350 59.473 2.877 17827 2312 1 5 . 1 1 66 66 SER CB C 59 63.110 63.110 62.157 0.953 17827 2313 1 5 . 1 1 66 66 SER H H 59 8.637 8.637 7.815 0.822 17827 2314 1 5 . 1 1 67 67 ASP N N 60 121.042 121.042 119.570 1.472 17827 2315 1 5 . 1 1 67 67 ASP C C 60 176.206 176.206 175.453 0.753 17827 2316 1 5 . 1 1 67 67 ASP CB C 60 42.560 42.560 41.324 1.236 17827 2317 1 5 . 1 1 67 67 ASP H H 60 8.895 8.895 7.850 1.045 17827 2318 1 5 . 1 1 68 68 HIS N N 61 121.519 121.519 117.703 3.816 17827 2319 1 5 . 1 1 68 68 HIS HA H 61 4.490 4.490 4.382 0.108 17827 2320 1 5 . 1 1 68 68 HIS C C 61 174.546 174.546 173.802 0.744 17827 2321 1 5 . 1 1 68 68 HIS CA C 61 57.940 57.940 56.146 1.794 17827 2322 1 5 . 1 1 68 68 HIS CB C 61 39.410 39.410 30.666 8.744 17827 2323 1 5 . 1 1 68 68 HIS H H 61 7.958 7.958 7.240 0.718 17827 2324 1 5 . 1 1 69 69 ALA N N 62 122.256 122.256 119.203 3.053 17827 2325 1 5 . 1 1 69 69 ALA C C 62 175.294 175.294 174.800 0.494 17827 2326 1 5 . 1 1 69 69 ALA CB C 62 22.470 22.470 22.689 -0.219 17827 2327 1 5 . 1 1 69 69 ALA H H 62 8.575 8.575 7.982 0.593 17827 2328 1 5 . 1 1 70 70 LEU N N 63 118.904 118.904 120.701 -1.797 17827 2329 1 5 . 1 1 70 70 LEU HA H 63 5.654 5.654 4.879 0.775 17827 2330 1 5 . 1 1 70 70 LEU C C 63 174.445 174.445 176.442 -1.997 17827 2331 1 5 . 1 1 70 70 LEU CA C 63 53.930 53.930 53.114 0.816 17827 2332 1 5 . 1 1 70 70 LEU CB C 63 44.300 44.300 42.128 2.172 17827 2333 1 5 . 1 1 70 70 LEU H H 63 9.150 9.150 8.752 0.398 17827 2334 1 5 . 1 1 71 71 TRP N N 64 125.367 125.367 126.491 -1.124 17827 2335 1 5 . 1 1 71 71 TRP C C 64 174.010 174.010 175.042 -1.032 17827 2336 1 5 . 1 1 71 71 TRP CB C 64 32.210 32.210 30.373 1.837 17827 2337 1 5 . 1 1 71 71 TRP H H 64 9.590 9.590 8.509 1.081 17827 2338 1 5 . 1 1 72 72 TRP N N 65 129.982 129.982 128.668 1.314 17827 2339 1 5 . 1 1 72 72 TRP HA H 65 4.980 4.980 4.582 0.398 17827 2340 1 5 . 1 1 72 72 TRP C C 65 174.335 174.335 176.303 -1.968 17827 2341 1 5 . 1 1 72 72 TRP CA C 65 51.440 51.440 54.527 -3.087 17827 2342 1 5 . 1 1 72 72 TRP CB C 65 30.490 30.490 29.887 0.603 17827 2343 1 5 . 1 1 72 72 TRP H H 65 8.277 8.277 8.356 -0.079 17827 2344 1 5 . 1 1 73 73 GLU N N 66 129.112 129.112 128.445 0.667 17827 2345 1 5 . 1 1 73 73 GLU HA H 66 3.300 3.300 3.897 -0.597 17827 2346 1 5 . 1 1 73 73 GLU C C 66 178.595 178.595 176.976 1.619 17827 2347 1 5 . 1 1 73 73 GLU CA C 66 59.920 59.920 58.315 1.605 17827 2348 1 5 . 1 1 73 73 GLU CB C 66 29.060 29.060 29.125 -0.065 17827 2349 1 5 . 1 1 73 73 GLU H H 66 8.969 8.969 8.427 0.542 17827 2350 1 5 . 1 1 74 74 LYS N N 67 117.492 117.492 118.714 -1.222 17827 2351 1 5 . 1 1 74 74 LYS HA H 67 3.702 3.702 3.737 -0.035 17827 2352 1 5 . 1 1 74 74 LYS C C 67 176.361 176.361 176.878 -0.517 17827 2353 1 5 . 1 1 74 74 LYS CA C 67 58.660 58.660 58.235 0.425 17827 2354 1 5 . 1 1 74 74 LYS CB C 67 32.020 32.020 31.655 0.365 17827 2355 1 5 . 1 1 74 74 LYS H H 67 7.860 7.860 8.349 -0.489 17827 2356 1 5 . 1 1 75 75 LYS N N 68 121.233 121.233 113.363 7.870 17827 2357 1 5 . 1 1 75 75 LYS HA H 68 3.935 3.935 4.105 -0.170 17827 2358 1 5 . 1 1 75 75 LYS C C 68 174.183 174.183 175.186 -1.003 17827 2359 1 5 . 1 1 75 75 LYS CA C 68 53.400 53.400 55.515 -2.115 17827 2360 1 5 . 1 1 75 75 LYS CB C 68 32.200 32.200 33.152 -0.952 17827 2361 1 5 . 1 1 75 75 LYS H H 68 7.500 7.500 7.098 0.402 17827 2362 1 5 . 1 1 76 76 ARG N N 69 121.125 121.125 117.751 3.374 17827 2363 1 5 . 1 1 76 76 ARG HA H 69 2.890 2.890 3.137 -0.247 17827 2364 1 5 . 1 1 76 76 ARG C C 69 173.984 173.984 173.896 0.088 17827 2365 1 5 . 1 1 76 76 ARG CA C 69 56.316 56.316 56.275 0.041 17827 2366 1 5 . 1 1 76 76 ARG CB C 69 27.090 27.090 26.548 0.542 17827 2367 1 5 . 1 1 76 76 ARG H H 69 7.500 7.500 8.147 -0.647 17827 2368 1 5 . 1 1 77 77 THR N N 70 110.478 110.478 113.699 -3.221 17827 2369 1 5 . 1 1 77 77 THR HA H 70 4.650 4.650 3.667 0.983 17827 2370 1 5 . 1 1 77 77 THR C C 70 171.846 171.846 173.113 -1.267 17827 2371 1 5 . 1 1 77 77 THR CA C 70 61.630 61.630 60.398 1.232 17827 2372 1 5 . 1 1 77 77 THR CB C 70 72.210 72.210 70.539 1.671 17827 2373 1 5 . 1 1 77 77 THR H H 70 6.280 6.280 7.102 -0.822 17827 2374 1 5 . 1 1 78 78 TRP N N 71 127.244 127.244 126.526 0.718 17827 2375 1 5 . 1 1 78 78 TRP HA H 71 4.750 4.750 5.339 -0.589 17827 2376 1 5 . 1 1 78 78 TRP C C 71 177.303 177.303 176.402 0.901 17827 2377 1 5 . 1 1 78 78 TRP CA C 71 56.240 56.240 56.105 0.135 17827 2378 1 5 . 1 1 78 78 TRP CB C 71 30.500 30.500 30.505 -0.005 17827 2379 1 5 . 1 1 78 78 TRP H H 71 8.795 8.795 8.132 0.663 17827 2380 1 5 . 1 1 79 79 LEU N N 72 125.202 125.202 122.117 3.085 17827 2381 1 5 . 1 1 79 79 LEU HA H 72 4.500 4.500 4.784 -0.284 17827 2382 1 5 . 1 1 79 79 LEU C C 72 175.667 175.667 176.567 -0.900 17827 2383 1 5 . 1 1 79 79 LEU CA C 72 52.510 52.510 54.191 -1.681 17827 2384 1 5 . 1 1 79 79 LEU CB C 72 38.240 38.240 41.149 -2.909 17827 2385 1 5 . 1 1 79 79 LEU H H 72 9.175 9.175 8.296 0.879 17827 2386 1 5 . 1 1 80 80 LEU N N 73 119.170 119.170 123.560 -4.390 17827 2387 1 5 . 1 1 80 80 LEU HA H 73 4.380 4.380 4.535 -0.155 17827 2388 1 5 . 1 1 80 80 LEU C C 73 178.139 178.139 176.833 1.306 17827 2389 1 5 . 1 1 80 80 LEU CA C 73 54.700 54.700 55.499 -0.799 17827 2390 1 5 . 1 1 80 80 LEU CB C 73 42.170 42.170 42.847 -0.677 17827 2391 1 5 . 1 1 80 80 LEU H H 73 7.280 7.280 8.479 -1.199 17827 2392 1 5 . 1 1 81 81 LYS N N 74 119.766 119.766 118.376 1.390 17827 2393 1 5 . 1 1 81 81 LYS HA H 74 4.435 4.435 4.375 0.060 17827 2394 1 5 . 1 1 81 81 LYS C C 74 176.601 176.601 177.261 -0.660 17827 2395 1 5 . 1 1 81 81 LYS CA C 74 54.660 54.660 56.527 -1.867 17827 2396 1 5 . 1 1 81 81 LYS CB C 74 28.540 28.540 33.664 -5.124 17827 2397 1 5 . 1 1 81 81 LYS H H 74 7.865 7.865 7.760 0.105 17827 2398 1 5 . 1 1 82 82 THR N N 75 115.636 115.636 114.747 0.889 17827 2399 1 5 . 1 1 82 82 THR HA H 75 3.800 3.800 4.441 -0.641 17827 2400 1 5 . 1 1 82 82 THR C C 75 174.806 174.806 175.257 -0.451 17827 2401 1 5 . 1 1 82 82 THR CA C 75 64.650 64.650 64.089 0.561 17827 2402 1 5 . 1 1 82 82 THR CB C 75 68.260 68.260 68.915 -0.655 17827 2403 1 5 . 1 1 82 82 THR H H 75 7.910 7.910 8.739 -0.829 17827 2404 1 5 . 1 1 83 83 HIS N N 76 116.767 116.767 117.604 -0.837 17827 2405 1 5 . 1 1 83 83 HIS C C 76 176.370 176.370 174.994 1.376 17827 2406 1 5 . 1 1 83 83 HIS CB C 76 30.210 30.210 29.782 0.428 17827 2407 1 5 . 1 1 83 83 HIS H H 76 8.965 8.965 8.243 0.722 17827 2408 1 5 . 1 1 84 84 TRP N N 77 123.905 123.905 119.202 4.703 17827 2409 1 5 . 1 1 84 84 TRP C C 77 175.584 175.584 175.779 -0.195 17827 2410 1 5 . 1 1 84 84 TRP CB C 77 30.390 30.390 29.291 1.099 17827 2411 1 5 . 1 1 84 84 TRP H H 77 7.635 7.635 7.630 0.005 17827 2412 1 5 . 1 1 85 85 THR N N 78 108.440 108.440 114.915 -6.475 17827 2413 1 5 . 1 1 85 85 THR HA H 78 4.900 4.900 4.162 0.738 17827 2414 1 5 . 1 1 85 85 THR C C 78 175.691 175.691 175.527 0.164 17827 2415 1 5 . 1 1 85 85 THR CA C 78 59.500 59.500 63.541 -4.041 17827 2416 1 5 . 1 1 85 85 THR CB C 78 70.600 70.600 69.776 0.824 17827 2417 1 5 . 1 1 85 85 THR H H 78 7.030 7.030 7.610 -0.580 17827 2418 1 5 . 1 1 86 86 LEU N N 79 119.766 119.766 120.929 -1.163 17827 2419 1 5 . 1 1 86 86 LEU HA H 79 4.040 4.040 4.095 -0.055 17827 2420 1 5 . 1 1 86 86 LEU C C 79 179.734 179.734 179.133 0.601 17827 2421 1 5 . 1 1 86 86 LEU CA C 79 58.750 58.750 59.411 -0.661 17827 2422 1 5 . 1 1 86 86 LEU CB C 79 40.450 40.450 41.273 -0.823 17827 2423 1 5 . 1 1 86 86 LEU H H 79 8.045 8.045 8.600 -0.555 17827 2424 1 5 . 1 1 87 87 ASP N N 80 118.407 118.407 118.840 -0.433 17827 2425 1 5 . 1 1 87 87 ASP HA H 80 4.440 4.440 4.374 0.066 17827 2426 1 5 . 1 1 87 87 ASP C C 80 179.152 179.152 178.242 0.910 17827 2427 1 5 . 1 1 87 87 ASP CA C 80 57.320 57.320 57.144 0.176 17827 2428 1 5 . 1 1 87 87 ASP CB C 80 40.320 40.320 40.535 -0.215 17827 2429 1 5 . 1 1 87 87 ASP H H 80 8.935 8.935 8.825 0.110 17827 2430 1 5 . 1 1 88 88 LYS N N 81 123.300 123.300 119.051 4.249 17827 2431 1 5 . 1 1 88 88 LYS HA H 81 3.700 3.700 3.916 -0.216 17827 2432 1 5 . 1 1 88 88 LYS C C 81 178.721 178.721 178.738 -0.017 17827 2433 1 5 . 1 1 88 88 LYS CA C 81 59.020 59.020 58.915 0.105 17827 2434 1 5 . 1 1 88 88 LYS CB C 81 31.640 31.640 31.986 -0.346 17827 2435 1 5 . 1 1 88 88 LYS H H 81 8.055 8.055 8.313 -0.258 17827 2436 1 5 . 1 1 89 89 TYR N N 82 115.690 115.690 116.848 -1.158 17827 2437 1 5 . 1 1 89 89 TYR HA H 82 4.580 4.580 4.582 -0.002 17827 2438 1 5 . 1 1 89 89 TYR C C 82 176.164 176.164 176.084 0.080 17827 2439 1 5 . 1 1 89 89 TYR CA C 82 61.750 61.750 60.040 1.710 17827 2440 1 5 . 1 1 89 89 TYR CB C 82 40.750 40.750 39.525 1.225 17827 2441 1 5 . 1 1 89 89 TYR H H 82 7.730 7.730 7.742 -0.012 17827 2442 1 5 . 1 1 90 90 GLY N N 83 108.212 108.212 106.402 1.810 17827 2443 1 5 . 1 1 90 90 GLY C C 83 174.555 174.555 174.568 -0.013 17827 2444 1 5 . 1 1 90 90 GLY CA C 83 45.510 45.510 44.934 0.576 17827 2445 1 5 . 1 1 90 90 GLY H H 83 8.030 8.030 7.444 0.586 17827 2446 1 5 . 1 1 91 91 ILE N N 84 122.960 122.960 120.519 2.441 17827 2447 1 5 . 1 1 91 91 ILE HA H 84 3.370 3.370 4.166 -0.796 17827 2448 1 5 . 1 1 91 91 ILE C C 84 173.611 173.611 175.066 -1.455 17827 2449 1 5 . 1 1 91 91 ILE CA C 84 61.700 61.700 61.480 0.220 17827 2450 1 5 . 1 1 91 91 ILE CB C 84 37.610 37.610 39.089 -1.479 17827 2451 1 5 . 1 1 91 91 ILE H H 84 7.850 7.850 7.998 -0.148 17827 2452 1 5 . 1 1 92 92 GLN N N 85 125.429 125.429 124.106 1.323 17827 2453 1 5 . 1 1 92 92 GLN HA H 85 3.880 3.880 3.679 0.201 17827 2454 1 5 . 1 1 92 92 GLN C C 85 174.756 174.756 175.032 -0.276 17827 2455 1 5 . 1 1 92 92 GLN CA C 85 53.720 53.720 54.720 -1.000 17827 2456 1 5 . 1 1 92 92 GLN CB C 85 31.150 31.150 30.873 0.277 17827 2457 1 5 . 1 1 92 92 GLN H H 85 7.700 7.700 8.086 -0.386 17827 2458 1 5 . 1 1 93 93 ALA N N 86 118.217 118.217 121.003 -2.786 17827 2459 1 5 . 1 1 93 93 ALA HA H 86 3.800 3.800 4.430 -0.630 17827 2460 1 5 . 1 1 93 93 ALA C C 86 177.201 177.201 177.349 -0.148 17827 2461 1 5 . 1 1 93 93 ALA CA C 86 54.080 54.080 53.424 0.656 17827 2462 1 5 . 1 1 93 93 ALA CB C 86 18.410 18.410 18.736 -0.326 17827 2463 1 5 . 1 1 93 93 ALA H H 86 6.886 6.886 8.150 -1.264 17827 2464 1 5 . 1 1 94 94 ASP N N 87 113.647 113.647 116.744 -3.097 17827 2465 1 5 . 1 1 94 94 ASP HA H 87 4.420 4.420 4.545 -0.125 17827 2466 1 5 . 1 1 94 94 ASP C C 87 176.218 176.218 175.117 1.101 17827 2467 1 5 . 1 1 94 94 ASP CA C 87 54.060 54.060 53.572 0.488 17827 2468 1 5 . 1 1 94 94 ASP CB C 87 39.600 39.600 40.863 -1.263 17827 2469 1 5 . 1 1 94 94 ASP H H 87 8.223 8.223 8.095 0.128 17827 2470 1 5 . 1 1 95 95 ALA N N 88 124.145 124.145 123.260 0.885 17827 2471 1 5 . 1 1 95 95 ALA HA H 88 4.306 4.306 4.550 -0.244 17827 2472 1 5 . 1 1 95 95 ALA C C 88 176.630 176.630 176.004 0.626 17827 2473 1 5 . 1 1 95 95 ALA CA C 88 53.320 53.320 51.604 1.716 17827 2474 1 5 . 1 1 95 95 ALA CB C 88 20.020 20.020 19.614 0.406 17827 2475 1 5 . 1 1 95 95 ALA H H 88 7.941 7.941 7.088 0.853 17827 2476 1 5 . 1 1 96 96 LYS N N 89 120.897 120.897 126.442 -5.545 17827 2477 1 5 . 1 1 96 96 LYS HA H 89 4.826 4.826 4.918 -0.092 17827 2478 1 5 . 1 1 96 96 LYS C C 89 176.161 176.161 176.172 -0.011 17827 2479 1 5 . 1 1 96 96 LYS CA C 89 54.736 54.736 55.007 -0.271 17827 2480 1 5 . 1 1 96 96 LYS CB C 89 32.390 32.390 32.107 0.283 17827 2481 1 5 . 1 1 96 96 LYS H H 89 8.500 8.500 8.631 -0.131 17827 2482 1 5 . 1 1 97 97 LEU N N 90 122.960 122.960 125.009 -2.049 17827 2483 1 5 . 1 1 97 97 LEU HA H 90 5.075 5.075 4.254 0.821 17827 2484 1 5 . 1 1 97 97 LEU C C 90 176.394 176.394 176.162 0.232 17827 2485 1 5 . 1 1 97 97 LEU CA C 90 53.060 53.060 54.747 -1.687 17827 2486 1 5 . 1 1 97 97 LEU CB C 90 44.850 44.850 43.061 1.789 17827 2487 1 5 . 1 1 97 97 LEU H H 90 8.566 8.566 8.735 -0.169 17827 2488 1 5 . 1 1 98 98 GLN N N 91 119.538 119.538 114.563 4.975 17827 2489 1 5 . 1 1 98 98 GLN HA H 91 5.710 5.710 4.881 0.829 17827 2490 1 5 . 1 1 98 98 GLN C C 91 174.144 174.144 174.540 -0.396 17827 2491 1 5 . 1 1 98 98 GLN CA C 91 54.360 54.360 54.437 -0.077 17827 2492 1 5 . 1 1 98 98 GLN CB C 91 32.290 32.290 32.727 -0.437 17827 2493 1 5 . 1 1 98 98 GLN H H 91 9.060 9.060 7.831 1.229 17827 2494 1 5 . 1 1 99 99 PHE N N 92 125.674 125.674 120.256 5.418 17827 2495 1 5 . 1 1 99 99 PHE HA H 92 5.700 5.700 5.257 0.443 17827 2496 1 5 . 1 1 99 99 PHE C C 92 174.537 174.537 173.937 0.600 17827 2497 1 5 . 1 1 99 99 PHE CA C 92 54.190 54.190 56.599 -2.409 17827 2498 1 5 . 1 1 99 99 PHE CB C 92 41.080 41.080 43.730 -2.650 17827 2499 1 5 . 1 1 99 99 PHE H H 92 9.290 9.290 9.746 -0.456 17827 2500 1 5 . 1 1 100 100 THR N N 93 124.543 124.543 119.416 5.127 17827 2501 1 5 . 1 1 100 100 THR HA H 93 5.100 5.100 4.806 0.294 17827 2502 1 5 . 1 1 100 100 THR C C 93 180.164 180.164 172.051 8.113 17827 2503 1 5 . 1 1 100 100 THR CA C 93 58.830 58.830 59.640 -0.810 17827 2504 1 5 . 1 1 100 100 THR CB C 93 73.610 73.610 71.096 2.514 17827 2505 1 5 . 1 1 100 100 THR H H 93 8.945 8.945 8.569 0.376 17827 2506 1 6 . 1 1 9 9 ALA N N 2 124.336 124.336 123.439 0.897 17827 2507 1 6 . 1 1 9 9 ALA HA H 2 4.210 4.210 4.428 -0.218 17827 2508 1 6 . 1 1 9 9 ALA C C 2 177.598 177.598 176.289 1.309 17827 2509 1 6 . 1 1 9 9 ALA CA C 2 52.440 52.440 51.579 0.861 17827 2510 1 6 . 1 1 9 9 ALA CB C 2 19.030 19.030 19.120 -0.090 17827 2511 1 6 . 1 1 9 9 ALA H H 2 8.018 8.018 8.295 -0.277 17827 2512 1 6 . 1 1 10 10 LEU N N 3 121.125 121.125 122.233 -1.108 17827 2513 1 6 . 1 1 10 10 LEU HA H 3 4.210 4.210 4.102 0.108 17827 2514 1 6 . 1 1 10 10 LEU C C 3 177.094 177.094 176.773 0.321 17827 2515 1 6 . 1 1 10 10 LEU CA C 3 55.320 55.320 56.740 -1.420 17827 2516 1 6 . 1 1 10 10 LEU CB C 3 42.170 42.170 42.255 -0.086 17827 2517 1 6 . 1 1 10 10 LEU H H 3 8.057 8.057 8.431 -0.374 17827 2518 1 6 . 1 1 11 11 ASP N N 4 119.766 119.766 115.507 4.259 17827 2519 1 6 . 1 1 11 11 ASP HA H 4 4.475 4.475 4.582 -0.107 17827 2520 1 6 . 1 1 11 11 ASP C C 4 176.509 176.509 177.663 -1.154 17827 2521 1 6 . 1 1 11 11 ASP CA C 4 54.550 54.550 54.587 -0.036 17827 2522 1 6 . 1 1 11 11 ASP CB C 4 40.950 40.950 40.265 0.685 17827 2523 1 6 . 1 1 11 11 ASP H H 4 8.145 8.145 8.119 0.026 17827 2524 1 6 . 1 1 12 12 GLY N N 5 108.440 108.440 110.975 -2.535 17827 2525 1 6 . 1 1 12 12 GLY C C 5 173.692 173.692 175.922 -2.230 17827 2526 1 6 . 1 1 12 12 GLY CA C 5 45.310 45.310 46.426 -1.116 17827 2527 1 6 . 1 1 12 12 GLY H H 5 8.110 8.110 8.524 -0.414 17827 2528 1 6 . 1 1 13 13 ILE N N 6 119.766 119.766 119.694 0.072 17827 2529 1 6 . 1 1 13 13 ILE HA H 6 4.100 4.100 3.667 0.433 17827 2530 1 6 . 1 1 13 13 ILE C C 6 175.525 175.525 177.538 -2.013 17827 2531 1 6 . 1 1 13 13 ILE CA C 6 60.710 60.710 62.611 -1.901 17827 2532 1 6 . 1 1 13 13 ILE CB C 6 38.430 38.430 37.377 1.053 17827 2533 1 6 . 1 1 13 13 ILE H H 6 7.790 7.790 7.854 -0.064 17827 2534 1 6 . 1 1 14 14 ARG N N 7 125.657 125.657 120.657 5.000 17827 2535 1 6 . 1 1 14 14 ARG HA H 7 4.210 4.210 4.137 0.073 17827 2536 1 6 . 1 1 14 14 ARG C C 7 175.810 175.810 176.439 -0.629 17827 2537 1 6 . 1 1 14 14 ARG CA C 7 55.640 55.640 58.245 -2.605 17827 2538 1 6 . 1 1 14 14 ARG CB C 7 30.990 30.990 30.419 0.571 17827 2539 1 6 . 1 1 14 14 ARG H H 7 8.410 8.410 7.582 0.829 17827 2540 1 6 . 1 1 15 15 MET N N 8 123.598 123.598 114.874 8.724 17827 2541 1 6 . 1 1 15 15 MET HA H 8 4.210 4.210 5.091 -0.881 17827 2542 1 6 . 1 1 15 15 MET C C 8 174.950 174.950 174.403 0.547 17827 2543 1 6 . 1 1 15 15 MET CA C 8 55.330 55.330 53.130 2.200 17827 2544 1 6 . 1 1 15 15 MET CB C 8 31.730 31.730 33.367 -1.637 17827 2545 1 6 . 1 1 15 15 MET H H 8 8.495 8.495 7.658 0.837 17827 2546 1 6 . 1 1 16 16 PRO HA H 9 4.290 4.290 4.455 -0.165 17827 2547 1 6 . 1 1 16 16 PRO C C 9 176.228 176.228 176.518 -0.290 17827 2548 1 6 . 1 1 16 16 PRO CA C 9 63.370 63.370 64.617 -1.247 17827 2549 1 6 . 1 1 16 16 PRO CB C 9 31.820 31.820 30.994 0.826 17827 2550 1 6 . 1 1 17 17 ASP N N 10 117.952 117.952 117.297 0.655 17827 2551 1 6 . 1 1 17 17 ASP HA H 10 4.420 4.420 4.585 -0.165 17827 2552 1 6 . 1 1 17 17 ASP C C 10 176.714 176.714 176.215 0.499 17827 2553 1 6 . 1 1 17 17 ASP CA C 10 54.130 54.130 53.491 0.639 17827 2554 1 6 . 1 1 17 17 ASP CB C 10 40.430 40.430 40.788 -0.358 17827 2555 1 6 . 1 1 17 17 ASP H H 10 8.076 8.076 7.700 0.376 17827 2556 1 6 . 1 1 18 18 GLY N N 11 108.663 108.663 105.895 2.768 17827 2557 1 6 . 1 1 18 18 GLY C C 11 173.819 173.819 174.863 -1.044 17827 2558 1 6 . 1 1 18 18 GLY CA C 11 45.300 45.300 45.253 0.047 17827 2559 1 6 . 1 1 18 18 GLY H H 11 8.255 8.255 7.407 0.848 17827 2560 1 6 . 1 1 19 19 CYS N N 12 118.179 118.179 118.938 -0.759 17827 2561 1 6 . 1 1 19 19 CYS HA H 12 4.550 4.550 4.175 0.375 17827 2562 1 6 . 1 1 19 19 CYS C C 12 174.073 174.073 173.520 0.553 17827 2563 1 6 . 1 1 19 19 CYS CA C 12 58.420 58.420 60.880 -2.460 17827 2564 1 6 . 1 1 19 19 CYS CB C 12 28.400 28.400 27.839 0.561 17827 2565 1 6 . 1 1 19 19 CYS H H 12 7.850 7.850 8.203 -0.353 17827 2566 1 6 . 1 1 20 20 TYR N N 13 120.897 120.897 116.278 4.619 17827 2567 1 6 . 1 1 20 20 TYR HA H 13 4.550 4.550 4.587 -0.037 17827 2568 1 6 . 1 1 20 20 TYR C C 13 176.748 176.748 176.300 0.448 17827 2569 1 6 . 1 1 20 20 TYR CA C 13 58.470 58.470 57.012 1.458 17827 2570 1 6 . 1 1 20 20 TYR CB C 13 39.210 39.210 40.037 -0.827 17827 2571 1 6 . 1 1 20 20 TYR H H 13 8.550 8.550 7.784 0.766 17827 2572 1 6 . 1 1 21 21 ALA N N 14 124.750 124.750 124.152 0.598 17827 2573 1 6 . 1 1 21 21 ALA HA H 14 4.190 4.190 4.074 0.116 17827 2574 1 6 . 1 1 21 21 ALA C C 14 177.181 177.181 177.915 -0.734 17827 2575 1 6 . 1 1 21 21 ALA CA C 14 53.530 53.530 55.147 -1.617 17827 2576 1 6 . 1 1 21 21 ALA CB C 14 18.630 18.630 18.814 -0.184 17827 2577 1 6 . 1 1 21 21 ALA H H 14 8.615 8.615 8.749 -0.134 17827 2578 1 6 . 1 1 22 22 ASP N N 15 117.500 117.500 116.549 0.951 17827 2579 1 6 . 1 1 22 22 ASP HA H 15 4.480 4.480 4.638 -0.158 17827 2580 1 6 . 1 1 22 22 ASP C C 15 176.708 176.708 177.226 -0.518 17827 2581 1 6 . 1 1 22 22 ASP CA C 15 53.500 53.500 53.903 -0.403 17827 2582 1 6 . 1 1 22 22 ASP CB C 15 40.730 40.730 41.687 -0.957 17827 2583 1 6 . 1 1 22 22 ASP H H 15 7.960 7.960 8.250 -0.290 17827 2584 1 6 . 1 1 23 23 GLY N N 16 108.891 108.891 108.790 0.101 17827 2585 1 6 . 1 1 23 23 GLY C C 16 174.373 174.373 174.301 0.072 17827 2586 1 6 . 1 1 23 23 GLY CA C 16 45.370 45.370 46.215 -0.845 17827 2587 1 6 . 1 1 23 23 GLY H H 16 8.344 8.344 8.325 0.019 17827 2588 1 6 . 1 1 24 24 THR N N 17 110.929 110.929 110.499 0.430 17827 2589 1 6 . 1 1 24 24 THR HA H 17 4.640 4.640 4.476 0.164 17827 2590 1 6 . 1 1 24 24 THR C C 17 173.620 173.620 173.803 -0.183 17827 2591 1 6 . 1 1 24 24 THR CA C 17 60.540 60.540 60.758 -0.218 17827 2592 1 6 . 1 1 24 24 THR CB C 17 72.100 72.100 70.160 1.940 17827 2593 1 6 . 1 1 24 24 THR H H 17 7.850 7.850 7.419 0.431 17827 2594 1 6 . 1 1 25 25 TRP N N 18 117.728 117.728 117.659 0.069 17827 2595 1 6 . 1 1 25 25 TRP HA H 18 4.945 4.945 4.875 0.070 17827 2596 1 6 . 1 1 25 25 TRP C C 18 174.164 174.164 174.055 0.109 17827 2597 1 6 . 1 1 25 25 TRP CA C 18 54.620 54.620 56.394 -1.774 17827 2598 1 6 . 1 1 25 25 TRP CB C 18 30.650 30.650 29.822 0.828 17827 2599 1 6 . 1 1 25 25 TRP H H 18 8.640 8.640 7.390 1.250 17827 2600 1 6 . 1 1 26 26 GLU N N 19 117.728 117.728 119.425 -1.697 17827 2601 1 6 . 1 1 26 26 GLU HA H 19 4.851 4.851 4.934 -0.083 17827 2602 1 6 . 1 1 26 26 GLU C C 19 174.786 174.786 174.288 0.498 17827 2603 1 6 . 1 1 26 26 GLU CA C 19 55.710 55.710 54.655 1.055 17827 2604 1 6 . 1 1 26 26 GLU CB C 19 31.500 31.500 32.578 -1.078 17827 2605 1 6 . 1 1 26 26 GLU H H 19 8.744 8.744 8.452 0.292 17827 2606 1 6 . 1 1 27 27 LEU N N 20 126.668 126.668 118.847 7.821 17827 2607 1 6 . 1 1 27 27 LEU HA H 20 4.880 4.880 4.704 0.176 17827 2608 1 6 . 1 1 27 27 LEU C C 20 175.123 175.123 175.139 -0.016 17827 2609 1 6 . 1 1 27 27 LEU CA C 20 53.252 53.252 54.074 -0.822 17827 2610 1 6 . 1 1 27 27 LEU CB C 20 45.280 45.280 46.185 -0.905 17827 2611 1 6 . 1 1 27 27 LEU H H 20 8.980 8.980 8.702 0.278 17827 2612 1 6 . 1 1 28 28 SER N N 21 121.804 121.804 116.426 5.378 17827 2613 1 6 . 1 1 28 28 SER HA H 21 4.894 4.894 5.110 -0.216 17827 2614 1 6 . 1 1 28 28 SER C C 21 173.483 173.483 172.889 0.594 17827 2615 1 6 . 1 1 28 28 SER CA C 21 57.880 57.880 57.294 0.586 17827 2616 1 6 . 1 1 28 28 SER CB C 21 63.920 63.920 64.858 -0.938 17827 2617 1 6 . 1 1 28 28 SER H H 21 8.785 8.785 8.512 0.273 17827 2618 1 6 . 1 1 29 29 VAL N N 22 125.881 125.881 122.334 3.547 17827 2619 1 6 . 1 1 29 29 VAL HA H 22 4.370 4.370 4.479 -0.110 17827 2620 1 6 . 1 1 29 29 VAL C C 22 173.953 173.953 175.017 -1.064 17827 2621 1 6 . 1 1 29 29 VAL CA C 22 60.440 60.440 60.467 -0.027 17827 2622 1 6 . 1 1 29 29 VAL CB C 22 34.350 34.350 36.302 -1.952 17827 2623 1 6 . 1 1 29 29 VAL H H 22 8.865 8.865 8.346 0.519 17827 2624 1 6 . 1 1 30 30 HIS N N 23 126.560 126.560 122.921 3.639 17827 2625 1 6 . 1 1 30 30 HIS HA H 23 5.220 5.220 4.773 0.447 17827 2626 1 6 . 1 1 30 30 HIS C C 23 174.596 174.596 173.952 0.644 17827 2627 1 6 . 1 1 30 30 HIS CA C 23 55.250 55.250 55.521 -0.271 17827 2628 1 6 . 1 1 30 30 HIS CB C 23 30.550 30.550 33.172 -2.622 17827 2629 1 6 . 1 1 30 30 HIS H H 23 8.810 8.810 8.496 0.314 17827 2630 1 6 . 1 1 31 31 VAL N N 24 130.587 130.587 126.554 4.033 17827 2631 1 6 . 1 1 31 31 VAL HA H 24 5.230 5.230 4.716 0.514 17827 2632 1 6 . 1 1 31 31 VAL C C 24 177.426 177.426 176.093 1.333 17827 2633 1 6 . 1 1 31 31 VAL CA C 24 55.530 55.530 61.128 -5.598 17827 2634 1 6 . 1 1 31 31 VAL CB C 24 31.040 31.040 31.269 -0.229 17827 2635 1 6 . 1 1 31 31 VAL H H 24 9.043 9.043 8.784 0.259 17827 2636 1 6 . 1 1 32 32 THR N N 25 122.484 122.484 120.208 2.276 17827 2637 1 6 . 1 1 32 32 THR HA H 25 3.970 3.970 4.424 -0.454 17827 2638 1 6 . 1 1 32 32 THR C C 25 177.437 177.437 175.212 2.225 17827 2639 1 6 . 1 1 32 32 THR CA C 25 66.470 66.470 61.516 4.954 17827 2640 1 6 . 1 1 32 32 THR CB C 25 68.220 68.220 69.964 -1.744 17827 2641 1 6 . 1 1 32 32 THR H H 25 8.245 8.245 8.504 -0.259 17827 2642 1 6 . 1 1 34 34 VAL N N 27 114.090 114.090 117.488 -3.398 17827 2643 1 6 . 1 1 34 34 VAL HA H 27 4.500 4.500 4.114 0.386 17827 2644 1 6 . 1 1 34 34 VAL CA C 27 54.220 54.220 62.651 -8.431 17827 2645 1 6 . 1 1 34 34 VAL CB C 27 27.060 27.060 33.312 -6.252 17827 2646 1 6 . 1 1 34 34 VAL H H 27 6.977 6.977 7.368 -0.391 17827 2647 1 6 . 1 1 35 35 ASN N N 28 116.829 116.829 116.658 0.171 17827 2648 1 6 . 1 1 35 35 ASN HA H 28 4.299 4.299 4.438 -0.139 17827 2649 1 6 . 1 1 35 35 ASN CA C 28 53.650 53.650 54.310 -0.660 17827 2650 1 6 . 1 1 35 35 ASN CB C 28 37.110 37.110 37.412 -0.302 17827 2651 1 6 . 1 1 35 35 ASN H H 28 7.897 7.897 8.187 -0.290 17827 2652 1 6 . 1 1 36 36 ARG N N 29 114.310 114.310 117.324 -3.014 17827 2653 1 6 . 1 1 36 36 ARG HA H 29 4.700 4.700 4.684 0.016 17827 2654 1 6 . 1 1 36 36 ARG C C 29 173.347 173.347 173.940 -0.593 17827 2655 1 6 . 1 1 36 36 ARG CA C 29 54.900 54.900 54.835 0.065 17827 2656 1 6 . 1 1 36 36 ARG CB C 29 34.700 34.700 32.152 2.548 17827 2657 1 6 . 1 1 36 36 ARG H H 29 6.787 6.787 7.629 -0.842 17827 2658 1 6 . 1 1 37 37 ASP N N 30 124.071 124.071 117.892 6.179 17827 2659 1 6 . 1 1 37 37 ASP HA H 30 5.475 5.475 4.697 0.778 17827 2660 1 6 . 1 1 37 37 ASP C C 30 175.354 175.354 174.650 0.704 17827 2661 1 6 . 1 1 37 37 ASP CA C 30 53.660 53.660 53.321 0.339 17827 2662 1 6 . 1 1 37 37 ASP CB C 30 42.260 42.260 42.542 -0.282 17827 2663 1 6 . 1 1 37 37 ASP H H 30 8.760 8.760 8.385 0.375 17827 2664 1 6 . 1 1 38 38 VAL N N 31 123.300 123.300 118.440 4.860 17827 2665 1 6 . 1 1 38 38 VAL HA H 31 4.270 4.270 4.497 -0.227 17827 2666 1 6 . 1 1 38 38 VAL C C 31 174.203 174.203 174.263 -0.060 17827 2667 1 6 . 1 1 38 38 VAL CA C 31 60.700 60.700 59.864 0.836 17827 2668 1 6 . 1 1 38 38 VAL CB C 31 34.620 34.620 36.064 -1.444 17827 2669 1 6 . 1 1 38 38 VAL H H 31 9.187 9.187 7.916 1.271 17827 2670 1 6 . 1 1 39 39 THR N N 32 119.766 119.766 114.179 5.587 17827 2671 1 6 . 1 1 39 39 THR HA H 32 5.095 5.095 4.878 0.217 17827 2672 1 6 . 1 1 39 39 THR C C 32 173.547 173.547 173.064 0.483 17827 2673 1 6 . 1 1 39 39 THR CA C 32 60.550 60.550 60.213 0.337 17827 2674 1 6 . 1 1 39 39 THR CB C 32 70.170 70.170 70.828 -0.658 17827 2675 1 6 . 1 1 39 39 THR H H 32 8.360 8.360 8.133 0.227 17827 2676 1 6 . 1 1 40 40 LEU N N 33 124.522 124.522 122.624 1.898 17827 2677 1 6 . 1 1 40 40 LEU HA H 33 4.590 4.590 4.606 -0.016 17827 2678 1 6 . 1 1 40 40 LEU C C 33 174.691 174.691 175.794 -1.103 17827 2679 1 6 . 1 1 40 40 LEU CA C 33 52.580 52.580 53.746 -1.166 17827 2680 1 6 . 1 1 40 40 LEU CB C 33 45.410 45.410 44.350 1.060 17827 2681 1 6 . 1 1 40 40 LEU H H 33 8.750 8.750 8.120 0.630 17827 2682 1 6 . 1 1 41 41 ARG N N 34 122.712 122.712 123.938 -1.226 17827 2683 1 6 . 1 1 41 41 ARG HA H 34 4.680 4.680 4.748 -0.068 17827 2684 1 6 . 1 1 41 41 ARG C C 34 175.700 175.700 174.489 1.211 17827 2685 1 6 . 1 1 41 41 ARG CA C 34 55.420 55.420 54.861 0.559 17827 2686 1 6 . 1 1 41 41 ARG CB C 34 29.500 29.500 29.503 -0.003 17827 2687 1 6 . 1 1 41 41 ARG H H 34 8.345 8.345 8.771 -0.426 17827 2688 1 6 . 1 1 42 42 VAL N N 35 117.728 117.728 117.818 -0.090 17827 2689 1 6 . 1 1 42 42 VAL HA H 35 4.465 4.465 4.497 -0.032 17827 2690 1 6 . 1 1 42 42 VAL C C 35 173.184 173.184 173.408 -0.224 17827 2691 1 6 . 1 1 42 42 VAL CA C 35 58.670 58.670 59.287 -0.617 17827 2692 1 6 . 1 1 42 42 VAL CB C 35 36.050 36.050 35.156 0.894 17827 2693 1 6 . 1 1 42 42 VAL H H 35 8.640 8.640 7.862 0.778 17827 2694 1 6 . 1 1 43 43 THR N N 36 104.359 104.359 109.277 -4.918 17827 2695 1 6 . 1 1 43 43 THR HA H 36 4.660 4.660 2.404 2.256 17827 2696 1 6 . 1 1 43 43 THR C C 36 174.862 174.862 174.833 0.029 17827 2697 1 6 . 1 1 43 43 THR CA C 36 59.010 59.010 58.970 0.040 17827 2698 1 6 . 1 1 43 43 THR CB C 36 71.570 71.570 71.243 0.327 17827 2699 1 6 . 1 1 43 43 THR H H 36 6.220 6.220 7.961 -1.741 17827 2700 1 6 . 1 1 44 44 GLY N N 37 105.946 105.946 106.836 -0.890 17827 2701 1 6 . 1 1 44 44 GLY C C 37 173.394 173.394 174.374 -0.980 17827 2702 1 6 . 1 1 44 44 GLY CA C 37 46.830 46.830 46.934 -0.104 17827 2703 1 6 . 1 1 44 44 GLY H H 37 9.160 9.160 8.672 0.488 17827 2704 1 6 . 1 1 45 45 GLU N N 38 113.875 113.875 116.235 -2.360 17827 2705 1 6 . 1 1 45 45 GLU HA H 38 4.290 4.290 4.396 -0.106 17827 2706 1 6 . 1 1 45 45 GLU C C 38 176.167 176.167 176.212 -0.045 17827 2707 1 6 . 1 1 45 45 GLU CA C 38 55.500 55.500 55.755 -0.255 17827 2708 1 6 . 1 1 45 45 GLU CB C 38 30.950 30.950 29.400 1.550 17827 2709 1 6 . 1 1 45 45 GLU H H 38 7.500 7.500 7.653 -0.153 17827 2710 1 6 . 1 1 46 46 VAL N N 39 121.577 121.577 121.217 0.360 17827 2711 1 6 . 1 1 46 46 VAL HA H 39 3.820 3.820 3.927 -0.107 17827 2712 1 6 . 1 1 46 46 VAL C C 39 174.651 174.651 174.840 -0.189 17827 2713 1 6 . 1 1 46 46 VAL CA C 39 63.920 63.920 62.124 1.796 17827 2714 1 6 . 1 1 46 46 VAL CB C 39 31.590 31.590 32.704 -1.114 17827 2715 1 6 . 1 1 46 46 VAL H H 39 7.260 7.260 7.494 -0.234 17827 2716 1 6 . 1 1 47 47 HIS N N 40 123.391 123.391 125.954 -2.563 17827 2717 1 6 . 1 1 47 47 HIS HA H 40 5.212 5.212 4.586 0.626 17827 2718 1 6 . 1 1 47 47 HIS C C 40 177.440 177.440 176.275 1.165 17827 2719 1 6 . 1 1 47 47 HIS CA C 40 54.660 54.660 55.712 -1.052 17827 2720 1 6 . 1 1 47 47 HIS CB C 40 30.910 30.910 30.287 0.623 17827 2721 1 6 . 1 1 47 47 HIS H H 40 8.285 8.285 8.497 -0.212 17827 2722 1 6 . 1 1 48 48 ILE N N 41 124.071 124.071 124.562 -0.491 17827 2723 1 6 . 1 1 48 48 ILE HA H 41 3.530 3.530 3.861 -0.331 17827 2724 1 6 . 1 1 48 48 ILE C C 41 178.941 178.941 178.123 0.818 17827 2725 1 6 . 1 1 48 48 ILE CA C 41 62.330 62.330 65.545 -3.215 17827 2726 1 6 . 1 1 48 48 ILE CB C 41 34.230 34.230 37.937 -3.707 17827 2727 1 6 . 1 1 48 48 ILE H H 41 8.863 8.863 8.702 0.161 17827 2728 1 6 . 1 1 49 49 GLY N N 42 106.853 106.853 105.056 1.797 17827 2729 1 6 . 1 1 49 49 GLY C C 42 175.669 175.669 175.533 0.136 17827 2730 1 6 . 1 1 49 49 GLY CA C 42 45.320 45.320 46.348 -1.028 17827 2731 1 6 . 1 1 49 49 GLY H H 42 9.720 9.720 8.685 1.035 17827 2732 1 6 . 1 1 50 50 GLY N N 43 109.571 109.571 109.263 0.308 17827 2733 1 6 . 1 1 50 50 GLY C C 43 175.847 175.847 175.369 0.478 17827 2734 1 6 . 1 1 50 50 GLY CA C 43 47.000 47.000 45.473 1.527 17827 2735 1 6 . 1 1 50 50 GLY H H 43 6.950 6.950 8.249 -1.299 17827 2736 1 6 . 1 1 51 51 VAL N N 44 123.163 123.163 124.632 -1.469 17827 2737 1 6 . 1 1 51 51 VAL HA H 44 3.115 3.115 3.584 -0.469 17827 2738 1 6 . 1 1 51 51 VAL C C 44 176.804 176.804 177.957 -1.153 17827 2739 1 6 . 1 1 51 51 VAL CA C 44 66.660 66.660 67.193 -0.533 17827 2740 1 6 . 1 1 51 51 VAL CB C 44 30.730 30.730 32.136 -1.407 17827 2741 1 6 . 1 1 51 51 VAL H H 44 7.860 7.860 8.725 -0.865 17827 2742 1 6 . 1 1 52 52 MET N N 45 115.913 115.913 117.445 -1.532 17827 2743 1 6 . 1 1 52 52 MET HA H 45 3.410 3.410 4.431 -1.021 17827 2744 1 6 . 1 1 52 52 MET C C 45 176.881 176.881 178.115 -1.234 17827 2745 1 6 . 1 1 52 52 MET CA C 45 59.830 59.830 59.568 0.262 17827 2746 1 6 . 1 1 52 52 MET CB C 45 32.310 32.310 32.129 0.181 17827 2747 1 6 . 1 1 52 52 MET H H 45 7.940 7.940 7.778 0.162 17827 2748 1 6 . 1 1 53 53 LEU N N 46 118.291 118.291 122.037 -3.746 17827 2749 1 6 . 1 1 53 53 LEU HA H 46 3.940 3.940 4.192 -0.252 17827 2750 1 6 . 1 1 53 53 LEU C C 46 179.178 179.178 179.360 -0.182 17827 2751 1 6 . 1 1 53 53 LEU CA C 46 58.500 58.500 58.240 0.260 17827 2752 1 6 . 1 1 53 53 LEU CB C 46 41.930 41.930 41.199 0.731 17827 2753 1 6 . 1 1 53 53 LEU H H 46 7.550 7.550 7.850 -0.300 17827 2754 1 6 . 1 1 54 54 LYS N N 47 118.142 118.142 118.952 -0.810 17827 2755 1 6 . 1 1 54 54 LYS HA H 47 3.870 3.870 4.061 -0.191 17827 2756 1 6 . 1 1 54 54 LYS C C 47 178.616 178.616 179.222 -0.606 17827 2757 1 6 . 1 1 54 54 LYS CA C 47 57.980 57.980 59.202 -1.222 17827 2758 1 6 . 1 1 54 54 LYS CB C 47 32.320 32.320 32.072 0.248 17827 2759 1 6 . 1 1 54 54 LYS H H 47 7.665 7.665 8.681 -1.016 17827 2760 1 6 . 1 1 55 55 LEU N N 48 119.385 119.385 120.435 -1.050 17827 2761 1 6 . 1 1 55 55 LEU HA H 48 3.570 3.570 4.288 -0.718 17827 2762 1 6 . 1 1 55 55 LEU C C 48 177.405 177.405 177.813 -0.408 17827 2763 1 6 . 1 1 55 55 LEU CA C 48 57.790 57.790 57.710 0.080 17827 2764 1 6 . 1 1 55 55 LEU CB C 48 41.590 41.590 42.175 -0.585 17827 2765 1 6 . 1 1 55 55 LEU H H 48 7.975 7.975 7.604 0.371 17827 2766 1 6 . 1 1 56 56 VAL N N 49 116.141 116.141 120.509 -4.368 17827 2767 1 6 . 1 1 56 56 VAL HA H 49 2.990 2.990 3.609 -0.619 17827 2768 1 6 . 1 1 56 56 VAL C C 49 178.564 178.564 178.889 -0.325 17827 2769 1 6 . 1 1 56 56 VAL CA C 49 66.310 66.310 66.879 -0.569 17827 2770 1 6 . 1 1 56 56 VAL CB C 49 31.300 31.300 31.748 -0.448 17827 2771 1 6 . 1 1 56 56 VAL H H 49 7.615 7.615 8.971 -1.356 17827 2772 1 6 . 1 1 57 57 GLU N N 50 118.631 118.631 118.347 0.284 17827 2773 1 6 . 1 1 57 57 GLU HA H 50 3.965 3.965 4.209 -0.244 17827 2774 1 6 . 1 1 57 57 GLU C C 50 178.030 178.030 178.380 -0.350 17827 2775 1 6 . 1 1 57 57 GLU CA C 50 58.500 58.500 58.806 -0.306 17827 2776 1 6 . 1 1 57 57 GLU CB C 50 29.610 29.610 29.455 0.155 17827 2777 1 6 . 1 1 57 57 GLU H H 50 7.575 7.575 8.954 -1.379 17827 2778 1 6 . 1 1 58 58 LYS N N 51 117.053 117.053 118.040 -0.987 17827 2779 1 6 . 1 1 58 58 LYS HA H 51 4.130 4.130 4.082 0.048 17827 2780 1 6 . 1 1 58 58 LYS C C 51 176.956 176.956 177.499 -0.543 17827 2781 1 6 . 1 1 58 58 LYS CA C 51 56.660 56.660 58.461 -1.801 17827 2782 1 6 . 1 1 58 58 LYS CB C 51 32.660 32.660 33.304 -0.644 17827 2783 1 6 . 1 1 58 58 LYS H H 51 7.490 7.490 7.580 -0.090 17827 2784 1 6 . 1 1 59 59 LEU N N 52 119.460 119.460 117.592 1.868 17827 2785 1 6 . 1 1 59 59 LEU HA H 52 4.122 4.122 4.520 -0.398 17827 2786 1 6 . 1 1 59 59 LEU C C 52 176.645 176.645 174.565 2.080 17827 2787 1 6 . 1 1 59 59 LEU CA C 52 56.660 56.660 53.645 3.015 17827 2788 1 6 . 1 1 59 59 LEU CB C 52 42.700 42.700 44.677 -1.977 17827 2789 1 6 . 1 1 59 59 LEU H H 52 7.470 7.470 7.847 -0.377 17827 2790 1 6 . 1 1 62 62 LYS C C 55 175.670 175.670 176.207 -0.537 17827 2791 1 6 . 1 1 63 63 LYS N N 56 122.430 122.430 121.764 0.666 17827 2792 1 6 . 1 1 63 63 LYS HA H 56 4.030 4.030 4.227 -0.197 17827 2793 1 6 . 1 1 63 63 LYS C C 56 172.850 172.850 175.609 -2.759 17827 2794 1 6 . 1 1 63 63 LYS CA C 56 54.530 54.530 56.376 -1.846 17827 2795 1 6 . 1 1 63 63 LYS CB C 56 34.440 34.440 33.390 1.050 17827 2796 1 6 . 1 1 63 63 LYS H H 56 7.245 7.245 7.223 0.022 17827 2797 1 6 . 1 1 64 64 ASP N N 57 118.867 118.867 121.166 -2.299 17827 2798 1 6 . 1 1 64 64 ASP HA H 57 4.530 4.530 4.141 0.389 17827 2799 1 6 . 1 1 64 64 ASP C C 57 176.710 176.710 175.334 1.376 17827 2800 1 6 . 1 1 64 64 ASP CA C 57 52.500 52.500 54.913 -2.413 17827 2801 1 6 . 1 1 64 64 ASP CB C 57 40.320 40.320 40.772 -0.452 17827 2802 1 6 . 1 1 64 64 ASP H H 57 7.867 7.867 8.154 -0.287 17827 2803 1 6 . 1 1 65 65 TRP N N 58 128.827 128.827 121.685 7.142 17827 2804 1 6 . 1 1 65 65 TRP HA H 58 4.540 4.540 4.704 -0.164 17827 2805 1 6 . 1 1 65 65 TRP C C 58 178.390 178.390 177.649 0.741 17827 2806 1 6 . 1 1 65 65 TRP CA C 58 52.860 52.860 59.073 -6.213 17827 2807 1 6 . 1 1 65 65 TRP CB C 58 29.420 29.420 29.251 0.169 17827 2808 1 6 . 1 1 65 65 TRP H H 58 8.790 8.790 7.935 0.855 17827 2809 1 6 . 1 1 66 66 SER N N 59 117.724 117.724 115.021 2.703 17827 2810 1 6 . 1 1 66 66 SER HA H 59 4.143 4.143 4.508 -0.365 17827 2811 1 6 . 1 1 66 66 SER C C 59 174.471 174.471 175.264 -0.793 17827 2812 1 6 . 1 1 66 66 SER CA C 59 62.350 62.350 59.875 2.475 17827 2813 1 6 . 1 1 66 66 SER CB C 59 63.110 63.110 62.962 0.148 17827 2814 1 6 . 1 1 66 66 SER H H 59 8.637 8.637 8.219 0.418 17827 2815 1 6 . 1 1 67 67 ASP N N 60 121.042 121.042 119.534 1.508 17827 2816 1 6 . 1 1 67 67 ASP C C 60 176.206 176.206 176.738 -0.532 17827 2817 1 6 . 1 1 67 67 ASP CB C 60 42.560 42.560 40.943 1.617 17827 2818 1 6 . 1 1 67 67 ASP H H 60 8.895 8.895 8.261 0.634 17827 2819 1 6 . 1 1 68 68 HIS N N 61 121.519 121.519 117.892 3.627 17827 2820 1 6 . 1 1 68 68 HIS HA H 61 4.490 4.490 4.384 0.106 17827 2821 1 6 . 1 1 68 68 HIS C C 61 174.546 174.546 173.888 0.658 17827 2822 1 6 . 1 1 68 68 HIS CA C 61 57.940 57.940 56.428 1.512 17827 2823 1 6 . 1 1 68 68 HIS CB C 61 39.410 39.410 30.871 8.539 17827 2824 1 6 . 1 1 68 68 HIS H H 61 7.958 7.958 7.375 0.583 17827 2825 1 6 . 1 1 69 69 ALA N N 62 122.256 122.256 117.803 4.453 17827 2826 1 6 . 1 1 69 69 ALA C C 62 175.294 175.294 174.654 0.640 17827 2827 1 6 . 1 1 69 69 ALA CB C 62 22.470 22.470 22.729 -0.259 17827 2828 1 6 . 1 1 69 69 ALA H H 62 8.575 8.575 8.757 -0.182 17827 2829 1 6 . 1 1 70 70 LEU N N 63 118.904 118.904 120.298 -1.394 17827 2830 1 6 . 1 1 70 70 LEU HA H 63 5.654 5.654 4.874 0.780 17827 2831 1 6 . 1 1 70 70 LEU C C 63 174.445 174.445 176.406 -1.961 17827 2832 1 6 . 1 1 70 70 LEU CA C 63 53.930 53.930 53.106 0.824 17827 2833 1 6 . 1 1 70 70 LEU CB C 63 44.300 44.300 41.991 2.309 17827 2834 1 6 . 1 1 70 70 LEU H H 63 9.150 9.150 8.791 0.359 17827 2835 1 6 . 1 1 71 71 TRP N N 64 125.367 125.367 127.336 -1.969 17827 2836 1 6 . 1 1 71 71 TRP C C 64 174.010 174.010 175.308 -1.298 17827 2837 1 6 . 1 1 71 71 TRP CB C 64 32.210 32.210 30.023 2.187 17827 2838 1 6 . 1 1 71 71 TRP H H 64 9.590 9.590 8.443 1.147 17827 2839 1 6 . 1 1 72 72 TRP N N 65 129.982 129.982 130.157 -0.175 17827 2840 1 6 . 1 1 72 72 TRP HA H 65 4.980 4.980 4.681 0.299 17827 2841 1 6 . 1 1 72 72 TRP C C 65 174.335 174.335 176.116 -1.781 17827 2842 1 6 . 1 1 72 72 TRP CA C 65 51.440 51.440 55.063 -3.623 17827 2843 1 6 . 1 1 72 72 TRP CB C 65 30.490 30.490 30.521 -0.031 17827 2844 1 6 . 1 1 72 72 TRP H H 65 8.277 8.277 8.294 -0.017 17827 2845 1 6 . 1 1 73 73 GLU N N 66 129.112 129.112 126.034 3.078 17827 2846 1 6 . 1 1 73 73 GLU HA H 66 3.300 3.300 3.503 -0.203 17827 2847 1 6 . 1 1 73 73 GLU C C 66 178.595 178.595 177.169 1.426 17827 2848 1 6 . 1 1 73 73 GLU CA C 66 59.920 59.920 59.236 0.684 17827 2849 1 6 . 1 1 73 73 GLU CB C 66 29.060 29.060 28.730 0.330 17827 2850 1 6 . 1 1 73 73 GLU H H 66 8.969 8.969 9.241 -0.272 17827 2851 1 6 . 1 1 74 74 LYS N N 67 117.492 117.492 119.788 -2.296 17827 2852 1 6 . 1 1 74 74 LYS HA H 67 3.702 3.702 3.396 0.306 17827 2853 1 6 . 1 1 74 74 LYS C C 67 176.361 176.361 177.529 -1.168 17827 2854 1 6 . 1 1 74 74 LYS CA C 67 58.660 58.660 58.374 0.286 17827 2855 1 6 . 1 1 74 74 LYS CB C 67 32.020 32.020 30.891 1.129 17827 2856 1 6 . 1 1 74 74 LYS H H 67 7.860 7.860 7.810 0.050 17827 2857 1 6 . 1 1 75 75 LYS N N 68 121.233 121.233 112.657 8.576 17827 2858 1 6 . 1 1 75 75 LYS HA H 68 3.935 3.935 4.225 -0.290 17827 2859 1 6 . 1 1 75 75 LYS C C 68 174.183 174.183 175.498 -1.315 17827 2860 1 6 . 1 1 75 75 LYS CA C 68 53.400 53.400 55.144 -1.744 17827 2861 1 6 . 1 1 75 75 LYS CB C 68 32.200 32.200 32.664 -0.464 17827 2862 1 6 . 1 1 75 75 LYS H H 68 7.500 7.500 7.038 0.462 17827 2863 1 6 . 1 1 76 76 ARG N N 69 121.125 121.125 117.180 3.945 17827 2864 1 6 . 1 1 76 76 ARG HA H 69 2.890 2.890 2.838 0.052 17827 2865 1 6 . 1 1 76 76 ARG C C 69 173.984 173.984 174.126 -0.142 17827 2866 1 6 . 1 1 76 76 ARG CA C 69 56.316 56.316 56.508 -0.192 17827 2867 1 6 . 1 1 76 76 ARG CB C 69 27.090 27.090 26.788 0.302 17827 2868 1 6 . 1 1 76 76 ARG H H 69 7.500 7.500 7.863 -0.363 17827 2869 1 6 . 1 1 77 77 THR N N 70 110.478 110.478 111.329 -0.851 17827 2870 1 6 . 1 1 77 77 THR HA H 70 4.650 4.650 4.203 0.447 17827 2871 1 6 . 1 1 77 77 THR C C 70 171.846 171.846 172.142 -0.296 17827 2872 1 6 . 1 1 77 77 THR CA C 70 61.630 61.630 59.372 2.258 17827 2873 1 6 . 1 1 77 77 THR CB C 70 72.210 72.210 70.906 1.304 17827 2874 1 6 . 1 1 77 77 THR H H 70 6.280 6.280 6.904 -0.624 17827 2875 1 6 . 1 1 78 78 TRP N N 71 127.244 127.244 119.540 7.704 17827 2876 1 6 . 1 1 78 78 TRP HA H 71 4.750 4.750 5.584 -0.834 17827 2877 1 6 . 1 1 78 78 TRP C C 71 177.303 177.303 176.140 1.163 17827 2878 1 6 . 1 1 78 78 TRP CA C 71 56.240 56.240 55.404 0.836 17827 2879 1 6 . 1 1 78 78 TRP CB C 71 30.500 30.500 32.163 -1.663 17827 2880 1 6 . 1 1 78 78 TRP H H 71 8.795 8.795 8.304 0.491 17827 2881 1 6 . 1 1 79 79 LEU N N 72 125.202 125.202 123.194 2.008 17827 2882 1 6 . 1 1 79 79 LEU HA H 72 4.500 4.500 4.862 -0.362 17827 2883 1 6 . 1 1 79 79 LEU C C 72 175.667 175.667 176.578 -0.911 17827 2884 1 6 . 1 1 79 79 LEU CA C 72 52.510 52.510 54.470 -1.960 17827 2885 1 6 . 1 1 79 79 LEU CB C 72 38.240 38.240 41.077 -2.837 17827 2886 1 6 . 1 1 79 79 LEU H H 72 9.175 9.175 8.563 0.612 17827 2887 1 6 . 1 1 80 80 LEU N N 73 119.170 119.170 123.549 -4.379 17827 2888 1 6 . 1 1 80 80 LEU HA H 73 4.380 4.380 4.522 -0.142 17827 2889 1 6 . 1 1 80 80 LEU C C 73 178.139 178.139 176.758 1.381 17827 2890 1 6 . 1 1 80 80 LEU CA C 73 54.700 54.700 55.519 -0.819 17827 2891 1 6 . 1 1 80 80 LEU CB C 73 42.170 42.170 42.825 -0.655 17827 2892 1 6 . 1 1 80 80 LEU H H 73 7.280 7.280 8.425 -1.145 17827 2893 1 6 . 1 1 81 81 LYS N N 74 119.766 119.766 117.906 1.860 17827 2894 1 6 . 1 1 81 81 LYS HA H 74 4.435 4.435 4.346 0.089 17827 2895 1 6 . 1 1 81 81 LYS C C 74 176.601 176.601 177.089 -0.488 17827 2896 1 6 . 1 1 81 81 LYS CA C 74 54.660 54.660 56.555 -1.895 17827 2897 1 6 . 1 1 81 81 LYS CB C 74 28.540 28.540 33.431 -4.891 17827 2898 1 6 . 1 1 81 81 LYS H H 74 7.865 7.865 7.740 0.125 17827 2899 1 6 . 1 1 82 82 THR N N 75 115.636 115.636 115.235 0.401 17827 2900 1 6 . 1 1 82 82 THR HA H 75 3.800 3.800 4.332 -0.532 17827 2901 1 6 . 1 1 82 82 THR C C 75 174.806 174.806 175.380 -0.574 17827 2902 1 6 . 1 1 82 82 THR CA C 75 64.650 64.650 64.903 -0.253 17827 2903 1 6 . 1 1 82 82 THR CB C 75 68.260 68.260 68.802 -0.542 17827 2904 1 6 . 1 1 82 82 THR H H 75 7.910 7.910 8.720 -0.810 17827 2905 1 6 . 1 1 83 83 HIS N N 76 116.767 116.767 119.672 -2.905 17827 2906 1 6 . 1 1 83 83 HIS C C 76 176.370 176.370 174.400 1.970 17827 2907 1 6 . 1 1 83 83 HIS CB C 76 30.210 30.210 29.553 0.657 17827 2908 1 6 . 1 1 83 83 HIS H H 76 8.965 8.965 8.461 0.504 17827 2909 1 6 . 1 1 84 84 TRP N N 77 123.905 123.905 117.625 6.280 17827 2910 1 6 . 1 1 84 84 TRP C C 77 175.584 175.584 175.304 0.280 17827 2911 1 6 . 1 1 84 84 TRP CB C 77 30.390 30.390 28.072 2.318 17827 2912 1 6 . 1 1 84 84 TRP H H 77 7.635 7.635 7.566 0.069 17827 2913 1 6 . 1 1 85 85 THR N N 78 108.440 108.440 113.551 -5.111 17827 2914 1 6 . 1 1 85 85 THR HA H 78 4.900 4.900 4.165 0.735 17827 2915 1 6 . 1 1 85 85 THR C C 78 175.691 175.691 176.322 -0.631 17827 2916 1 6 . 1 1 85 85 THR CA C 78 59.500 59.500 63.447 -3.947 17827 2917 1 6 . 1 1 85 85 THR CB C 78 70.600 70.600 69.695 0.905 17827 2918 1 6 . 1 1 85 85 THR H H 78 7.030 7.030 7.521 -0.491 17827 2919 1 6 . 1 1 86 86 LEU N N 79 119.766 119.766 120.940 -1.174 17827 2920 1 6 . 1 1 86 86 LEU HA H 79 4.040 4.040 4.096 -0.056 17827 2921 1 6 . 1 1 86 86 LEU C C 79 179.734 179.734 179.130 0.604 17827 2922 1 6 . 1 1 86 86 LEU CA C 79 58.750 58.750 59.278 -0.528 17827 2923 1 6 . 1 1 86 86 LEU CB C 79 40.450 40.450 40.670 -0.221 17827 2924 1 6 . 1 1 86 86 LEU H H 79 8.045 8.045 8.924 -0.879 17827 2925 1 6 . 1 1 87 87 ASP N N 80 118.407 118.407 119.526 -1.119 17827 2926 1 6 . 1 1 87 87 ASP HA H 80 4.440 4.440 4.509 -0.069 17827 2927 1 6 . 1 1 87 87 ASP C C 80 179.152 179.152 178.817 0.335 17827 2928 1 6 . 1 1 87 87 ASP CA C 80 57.320 57.320 57.133 0.187 17827 2929 1 6 . 1 1 87 87 ASP CB C 80 40.320 40.320 40.383 -0.063 17827 2930 1 6 . 1 1 87 87 ASP H H 80 8.935 8.935 8.626 0.309 17827 2931 1 6 . 1 1 88 88 LYS N N 81 123.300 123.300 120.193 3.107 17827 2932 1 6 . 1 1 88 88 LYS HA H 81 3.700 3.700 3.836 -0.136 17827 2933 1 6 . 1 1 88 88 LYS C C 81 178.721 178.721 178.235 0.486 17827 2934 1 6 . 1 1 88 88 LYS CA C 81 59.020 59.020 58.839 0.181 17827 2935 1 6 . 1 1 88 88 LYS CB C 81 31.640 31.640 31.799 -0.160 17827 2936 1 6 . 1 1 88 88 LYS H H 81 8.055 8.055 8.033 0.022 17827 2937 1 6 . 1 1 89 89 TYR N N 82 115.690 115.690 116.403 -0.713 17827 2938 1 6 . 1 1 89 89 TYR HA H 82 4.580 4.580 4.460 0.120 17827 2939 1 6 . 1 1 89 89 TYR C C 82 176.164 176.164 175.972 0.192 17827 2940 1 6 . 1 1 89 89 TYR CA C 82 61.750 61.750 59.578 2.172 17827 2941 1 6 . 1 1 89 89 TYR CB C 82 40.750 40.750 39.292 1.458 17827 2942 1 6 . 1 1 89 89 TYR H H 82 7.730 7.730 7.772 -0.042 17827 2943 1 6 . 1 1 90 90 GLY N N 83 108.212 108.212 106.409 1.803 17827 2944 1 6 . 1 1 90 90 GLY C C 83 174.555 174.555 174.483 0.072 17827 2945 1 6 . 1 1 90 90 GLY CA C 83 45.510 45.510 44.827 0.683 17827 2946 1 6 . 1 1 90 90 GLY H H 83 8.030 8.030 8.021 0.009 17827 2947 1 6 . 1 1 91 91 ILE N N 84 122.960 122.960 120.706 2.254 17827 2948 1 6 . 1 1 91 91 ILE HA H 84 3.370 3.370 4.245 -0.875 17827 2949 1 6 . 1 1 91 91 ILE C C 84 173.611 173.611 175.030 -1.419 17827 2950 1 6 . 1 1 91 91 ILE CA C 84 61.700 61.700 61.182 0.518 17827 2951 1 6 . 1 1 91 91 ILE CB C 84 37.610 37.610 39.382 -1.772 17827 2952 1 6 . 1 1 91 91 ILE H H 84 7.850 7.850 8.031 -0.181 17827 2953 1 6 . 1 1 92 92 GLN N N 85 125.429 125.429 124.149 1.280 17827 2954 1 6 . 1 1 92 92 GLN HA H 85 3.880 3.880 3.960 -0.080 17827 2955 1 6 . 1 1 92 92 GLN C C 85 174.756 174.756 174.833 -0.077 17827 2956 1 6 . 1 1 92 92 GLN CA C 85 53.720 53.720 54.695 -0.975 17827 2957 1 6 . 1 1 92 92 GLN CB C 85 31.150 31.150 30.906 0.244 17827 2958 1 6 . 1 1 92 92 GLN H H 85 7.700 7.700 8.167 -0.467 17827 2959 1 6 . 1 1 93 93 ALA N N 86 118.217 118.217 120.725 -2.508 17827 2960 1 6 . 1 1 93 93 ALA HA H 86 3.800 3.800 4.005 -0.205 17827 2961 1 6 . 1 1 93 93 ALA C C 86 177.201 177.201 177.525 -0.324 17827 2962 1 6 . 1 1 93 93 ALA CA C 86 54.080 54.080 53.337 0.743 17827 2963 1 6 . 1 1 93 93 ALA CB C 86 18.410 18.410 18.322 0.088 17827 2964 1 6 . 1 1 93 93 ALA H H 86 6.886 6.886 7.711 -0.825 17827 2965 1 6 . 1 1 94 94 ASP N N 87 113.647 113.647 117.503 -3.856 17827 2966 1 6 . 1 1 94 94 ASP HA H 87 4.420 4.420 4.509 -0.089 17827 2967 1 6 . 1 1 94 94 ASP C C 87 176.218 176.218 175.174 1.044 17827 2968 1 6 . 1 1 94 94 ASP CA C 87 54.060 54.060 53.691 0.370 17827 2969 1 6 . 1 1 94 94 ASP CB C 87 39.600 39.600 40.918 -1.318 17827 2970 1 6 . 1 1 94 94 ASP H H 87 8.223 8.223 7.981 0.242 17827 2971 1 6 . 1 1 95 95 ALA N N 88 124.145 124.145 122.684 1.461 17827 2972 1 6 . 1 1 95 95 ALA HA H 88 4.306 4.306 4.469 -0.163 17827 2973 1 6 . 1 1 95 95 ALA C C 88 176.630 176.630 176.528 0.102 17827 2974 1 6 . 1 1 95 95 ALA CA C 88 53.320 53.320 51.504 1.816 17827 2975 1 6 . 1 1 95 95 ALA CB C 88 20.020 20.020 19.241 0.780 17827 2976 1 6 . 1 1 95 95 ALA H H 88 7.941 7.941 7.117 0.824 17827 2977 1 6 . 1 1 96 96 LYS N N 89 120.897 120.897 126.695 -5.798 17827 2978 1 6 . 1 1 96 96 LYS HA H 89 4.826 4.826 4.462 0.364 17827 2979 1 6 . 1 1 96 96 LYS C C 89 176.161 176.161 175.981 0.180 17827 2980 1 6 . 1 1 96 96 LYS CA C 89 54.736 54.736 55.279 -0.543 17827 2981 1 6 . 1 1 96 96 LYS CB C 89 32.390 32.390 31.492 0.898 17827 2982 1 6 . 1 1 96 96 LYS H H 89 8.500 8.500 8.548 -0.048 17827 2983 1 6 . 1 1 97 97 LEU N N 90 122.960 122.960 123.233 -0.273 17827 2984 1 6 . 1 1 97 97 LEU HA H 90 5.075 5.075 4.109 0.966 17827 2985 1 6 . 1 1 97 97 LEU C C 90 176.394 176.394 177.243 -0.849 17827 2986 1 6 . 1 1 97 97 LEU CA C 90 53.060 53.060 54.685 -1.625 17827 2987 1 6 . 1 1 97 97 LEU CB C 90 44.850 44.850 42.781 2.070 17827 2988 1 6 . 1 1 97 97 LEU H H 90 8.566 8.566 8.440 0.126 17827 2989 1 6 . 1 1 98 98 GLN N N 91 119.538 119.538 115.959 3.579 17827 2990 1 6 . 1 1 98 98 GLN HA H 91 5.710 5.710 4.878 0.832 17827 2991 1 6 . 1 1 98 98 GLN C C 91 174.144 174.144 174.624 -0.480 17827 2992 1 6 . 1 1 98 98 GLN CA C 91 54.360 54.360 54.766 -0.406 17827 2993 1 6 . 1 1 98 98 GLN CB C 91 32.290 32.290 32.982 -0.692 17827 2994 1 6 . 1 1 98 98 GLN H H 91 9.060 9.060 7.966 1.094 17827 2995 1 6 . 1 1 99 99 PHE N N 92 125.674 125.674 120.253 5.421 17827 2996 1 6 . 1 1 99 99 PHE HA H 92 5.700 5.700 5.337 0.363 17827 2997 1 6 . 1 1 99 99 PHE C C 92 174.537 174.537 173.843 0.694 17827 2998 1 6 . 1 1 99 99 PHE CA C 92 54.190 54.190 56.634 -2.444 17827 2999 1 6 . 1 1 99 99 PHE CB C 92 41.080 41.080 43.660 -2.580 17827 3000 1 6 . 1 1 99 99 PHE H H 92 9.290 9.290 9.667 -0.377 17827 3001 1 6 . 1 1 100 100 THR N N 93 124.543 124.543 117.946 6.597 17827 3002 1 6 . 1 1 100 100 THR HA H 93 5.100 5.100 4.817 0.283 17827 3003 1 6 . 1 1 100 100 THR C C 93 180.164 180.164 171.700 8.464 17827 3004 1 6 . 1 1 100 100 THR CA C 93 58.830 58.830 59.256 -0.426 17827 3005 1 6 . 1 1 100 100 THR CB C 93 73.610 73.610 71.172 2.438 17827 3006 1 6 . 1 1 100 100 THR H H 93 8.945 8.945 8.750 0.195 17827 3007 1 7 . 1 1 9 9 ALA N N 2 124.336 124.336 123.500 0.836 17827 3008 1 7 . 1 1 9 9 ALA HA H 2 4.210 4.210 4.219 -0.009 17827 3009 1 7 . 1 1 9 9 ALA C C 2 177.598 177.598 176.626 0.972 17827 3010 1 7 . 1 1 9 9 ALA CA C 2 52.440 52.440 51.903 0.537 17827 3011 1 7 . 1 1 9 9 ALA CB C 2 19.030 19.030 17.945 1.085 17827 3012 1 7 . 1 1 9 9 ALA H H 2 8.018 8.018 8.314 -0.296 17827 3013 1 7 . 1 1 10 10 LEU N N 3 121.125 121.125 121.050 0.075 17827 3014 1 7 . 1 1 10 10 LEU HA H 3 4.210 4.210 4.172 0.038 17827 3015 1 7 . 1 1 10 10 LEU C C 3 177.094 177.094 177.858 -0.764 17827 3016 1 7 . 1 1 10 10 LEU CA C 3 55.320 55.320 56.011 -0.691 17827 3017 1 7 . 1 1 10 10 LEU CB C 3 42.170 42.170 42.412 -0.242 17827 3018 1 7 . 1 1 10 10 LEU H H 3 8.057 8.057 8.298 -0.241 17827 3019 1 7 . 1 1 11 11 ASP N N 4 119.766 119.766 113.850 5.916 17827 3020 1 7 . 1 1 11 11 ASP HA H 4 4.475 4.475 4.549 -0.074 17827 3021 1 7 . 1 1 11 11 ASP C C 4 176.509 176.509 175.967 0.542 17827 3022 1 7 . 1 1 11 11 ASP CA C 4 54.550 54.550 54.575 -0.025 17827 3023 1 7 . 1 1 11 11 ASP CB C 4 40.950 40.950 42.384 -1.434 17827 3024 1 7 . 1 1 11 11 ASP H H 4 8.145 8.145 7.886 0.259 17827 3025 1 7 . 1 1 12 12 GLY N N 5 108.440 108.440 108.635 -0.195 17827 3026 1 7 . 1 1 12 12 GLY C C 5 173.692 173.692 174.600 -0.908 17827 3027 1 7 . 1 1 12 12 GLY CA C 5 45.310 45.310 45.094 0.216 17827 3028 1 7 . 1 1 12 12 GLY H H 5 8.110 8.110 8.165 -0.055 17827 3029 1 7 . 1 1 13 13 ILE N N 6 119.766 119.766 120.181 -0.415 17827 3030 1 7 . 1 1 13 13 ILE HA H 6 4.100 4.100 4.129 -0.029 17827 3031 1 7 . 1 1 13 13 ILE C C 6 175.525 175.525 176.365 -0.840 17827 3032 1 7 . 1 1 13 13 ILE CA C 6 60.710 60.710 62.357 -1.647 17827 3033 1 7 . 1 1 13 13 ILE CB C 6 38.430 38.430 38.166 0.264 17827 3034 1 7 . 1 1 13 13 ILE H H 6 7.790 7.790 8.168 -0.378 17827 3035 1 7 . 1 1 14 14 ARG N N 7 125.657 125.657 118.574 7.083 17827 3036 1 7 . 1 1 14 14 ARG HA H 7 4.210 4.210 4.312 -0.102 17827 3037 1 7 . 1 1 14 14 ARG C C 7 175.810 175.810 175.777 0.033 17827 3038 1 7 . 1 1 14 14 ARG CA C 7 55.640 55.640 57.423 -1.783 17827 3039 1 7 . 1 1 14 14 ARG CB C 7 30.990 30.990 31.530 -0.540 17827 3040 1 7 . 1 1 14 14 ARG H H 7 8.410 8.410 8.369 0.041 17827 3041 1 7 . 1 1 15 15 MET N N 8 123.598 123.598 112.327 11.271 17827 3042 1 7 . 1 1 15 15 MET HA H 8 4.210 4.210 4.743 -0.533 17827 3043 1 7 . 1 1 15 15 MET C C 8 174.950 174.950 174.432 0.518 17827 3044 1 7 . 1 1 15 15 MET CA C 8 55.330 55.330 56.239 -0.909 17827 3045 1 7 . 1 1 15 15 MET CB C 8 31.730 31.730 31.107 0.623 17827 3046 1 7 . 1 1 15 15 MET H H 8 8.495 8.495 7.781 0.714 17827 3047 1 7 . 1 1 16 16 PRO HA H 9 4.290 4.290 4.232 0.058 17827 3048 1 7 . 1 1 16 16 PRO C C 9 176.228 176.228 176.507 -0.279 17827 3049 1 7 . 1 1 16 16 PRO CA C 9 63.370 63.370 65.802 -2.433 17827 3050 1 7 . 1 1 16 16 PRO CB C 9 31.820 31.820 31.016 0.804 17827 3051 1 7 . 1 1 17 17 ASP N N 10 117.952 117.952 113.093 4.859 17827 3052 1 7 . 1 1 17 17 ASP HA H 10 4.420 4.420 4.691 -0.271 17827 3053 1 7 . 1 1 17 17 ASP C C 10 176.714 176.714 176.341 0.373 17827 3054 1 7 . 1 1 17 17 ASP CA C 10 54.130 54.130 54.271 -0.141 17827 3055 1 7 . 1 1 17 17 ASP CB C 10 40.430 40.430 40.938 -0.508 17827 3056 1 7 . 1 1 17 17 ASP H H 10 8.076 8.076 8.165 -0.089 17827 3057 1 7 . 1 1 18 18 GLY N N 11 108.663 108.663 106.664 1.999 17827 3058 1 7 . 1 1 18 18 GLY C C 11 173.819 173.819 175.091 -1.272 17827 3059 1 7 . 1 1 18 18 GLY CA C 11 45.300 45.300 46.147 -0.847 17827 3060 1 7 . 1 1 18 18 GLY H H 11 8.255 8.255 8.571 -0.316 17827 3061 1 7 . 1 1 19 19 CYS N N 12 118.179 118.179 122.409 -4.230 17827 3062 1 7 . 1 1 19 19 CYS HA H 12 4.550 4.550 4.231 0.319 17827 3063 1 7 . 1 1 19 19 CYS C C 12 174.073 174.073 174.757 -0.684 17827 3064 1 7 . 1 1 19 19 CYS CA C 12 58.420 58.420 62.186 -3.766 17827 3065 1 7 . 1 1 19 19 CYS CB C 12 28.400 28.400 27.259 1.141 17827 3066 1 7 . 1 1 19 19 CYS H H 12 7.850 7.850 8.836 -0.986 17827 3067 1 7 . 1 1 20 20 TYR N N 13 120.897 120.897 121.003 -0.106 17827 3068 1 7 . 1 1 20 20 TYR HA H 13 4.550 4.550 4.573 -0.023 17827 3069 1 7 . 1 1 20 20 TYR C C 13 176.748 176.748 174.523 2.225 17827 3070 1 7 . 1 1 20 20 TYR CA C 13 58.470 58.470 57.062 1.408 17827 3071 1 7 . 1 1 20 20 TYR CB C 13 39.210 39.210 38.401 0.809 17827 3072 1 7 . 1 1 20 20 TYR H H 13 8.550 8.550 8.224 0.326 17827 3073 1 7 . 1 1 21 21 ALA N N 14 124.750 124.750 126.036 -1.286 17827 3074 1 7 . 1 1 21 21 ALA HA H 14 4.190 4.190 3.701 0.489 17827 3075 1 7 . 1 1 21 21 ALA C C 14 177.181 177.181 176.922 0.259 17827 3076 1 7 . 1 1 21 21 ALA CA C 14 53.530 53.530 54.369 -0.839 17827 3077 1 7 . 1 1 21 21 ALA CB C 14 18.630 18.630 17.796 0.834 17827 3078 1 7 . 1 1 21 21 ALA H H 14 8.615 8.615 8.275 0.340 17827 3079 1 7 . 1 1 22 22 ASP N N 15 117.500 117.500 121.166 -3.666 17827 3080 1 7 . 1 1 22 22 ASP HA H 15 4.480 4.480 4.679 -0.199 17827 3081 1 7 . 1 1 22 22 ASP C C 15 176.708 176.708 176.968 -0.260 17827 3082 1 7 . 1 1 22 22 ASP CA C 15 53.500 53.500 53.530 -0.030 17827 3083 1 7 . 1 1 22 22 ASP CB C 15 40.730 40.730 42.235 -1.505 17827 3084 1 7 . 1 1 22 22 ASP H H 15 7.960 7.960 8.346 -0.386 17827 3085 1 7 . 1 1 23 23 GLY N N 16 108.891 108.891 109.959 -1.068 17827 3086 1 7 . 1 1 23 23 GLY C C 16 174.373 174.373 173.616 0.757 17827 3087 1 7 . 1 1 23 23 GLY CA C 16 45.370 45.370 46.476 -1.106 17827 3088 1 7 . 1 1 23 23 GLY H H 16 8.344 8.344 7.823 0.521 17827 3089 1 7 . 1 1 24 24 THR N N 17 110.929 110.929 112.377 -1.448 17827 3090 1 7 . 1 1 24 24 THR HA H 17 4.640 4.640 3.703 0.937 17827 3091 1 7 . 1 1 24 24 THR C C 17 173.620 173.620 174.192 -0.572 17827 3092 1 7 . 1 1 24 24 THR CA C 17 60.540 60.540 61.860 -1.320 17827 3093 1 7 . 1 1 24 24 THR CB C 17 72.100 72.100 69.711 2.389 17827 3094 1 7 . 1 1 24 24 THR H H 17 7.850 7.850 7.624 0.226 17827 3095 1 7 . 1 1 25 25 TRP N N 18 117.728 117.728 120.080 -2.352 17827 3096 1 7 . 1 1 25 25 TRP HA H 18 4.945 4.945 4.850 0.095 17827 3097 1 7 . 1 1 25 25 TRP C C 18 174.164 174.164 173.847 0.317 17827 3098 1 7 . 1 1 25 25 TRP CA C 18 54.620 54.620 56.384 -1.764 17827 3099 1 7 . 1 1 25 25 TRP CB C 18 30.650 30.650 29.681 0.969 17827 3100 1 7 . 1 1 25 25 TRP H H 18 8.640 8.640 7.257 1.383 17827 3101 1 7 . 1 1 26 26 GLU N N 19 117.728 117.728 119.033 -1.305 17827 3102 1 7 . 1 1 26 26 GLU HA H 19 4.851 4.851 4.901 -0.050 17827 3103 1 7 . 1 1 26 26 GLU C C 19 174.786 174.786 174.802 -0.016 17827 3104 1 7 . 1 1 26 26 GLU CA C 19 55.710 55.710 54.738 0.972 17827 3105 1 7 . 1 1 26 26 GLU CB C 19 31.500 31.500 32.375 -0.875 17827 3106 1 7 . 1 1 26 26 GLU H H 19 8.744 8.744 8.456 0.288 17827 3107 1 7 . 1 1 27 27 LEU N N 20 126.668 126.668 119.186 7.482 17827 3108 1 7 . 1 1 27 27 LEU HA H 20 4.880 4.880 4.762 0.118 17827 3109 1 7 . 1 1 27 27 LEU C C 20 175.123 175.123 175.270 -0.147 17827 3110 1 7 . 1 1 27 27 LEU CA C 20 53.252 53.252 53.635 -0.383 17827 3111 1 7 . 1 1 27 27 LEU CB C 20 45.280 45.280 46.661 -1.381 17827 3112 1 7 . 1 1 27 27 LEU H H 20 8.980 8.980 8.766 0.214 17827 3113 1 7 . 1 1 28 28 SER N N 21 121.804 121.804 116.943 4.861 17827 3114 1 7 . 1 1 28 28 SER HA H 21 4.894 4.894 4.839 0.055 17827 3115 1 7 . 1 1 28 28 SER C C 21 173.483 173.483 172.725 0.758 17827 3116 1 7 . 1 1 28 28 SER CA C 21 57.880 57.880 57.390 0.490 17827 3117 1 7 . 1 1 28 28 SER CB C 21 63.920 63.920 64.994 -1.074 17827 3118 1 7 . 1 1 28 28 SER H H 21 8.785 8.785 8.405 0.380 17827 3119 1 7 . 1 1 29 29 VAL N N 22 125.881 125.881 122.085 3.796 17827 3120 1 7 . 1 1 29 29 VAL HA H 22 4.370 4.370 4.458 -0.088 17827 3121 1 7 . 1 1 29 29 VAL C C 22 173.953 173.953 174.788 -0.835 17827 3122 1 7 . 1 1 29 29 VAL CA C 22 60.440 60.440 59.602 0.838 17827 3123 1 7 . 1 1 29 29 VAL CB C 22 34.350 34.350 35.627 -1.276 17827 3124 1 7 . 1 1 29 29 VAL H H 22 8.865 8.865 8.432 0.433 17827 3125 1 7 . 1 1 30 30 HIS N N 23 126.560 126.560 123.142 3.418 17827 3126 1 7 . 1 1 30 30 HIS HA H 23 5.220 5.220 4.810 0.410 17827 3127 1 7 . 1 1 30 30 HIS C C 23 174.596 174.596 173.818 0.778 17827 3128 1 7 . 1 1 30 30 HIS CA C 23 55.250 55.250 55.464 -0.214 17827 3129 1 7 . 1 1 30 30 HIS CB C 23 30.550 30.550 33.418 -2.868 17827 3130 1 7 . 1 1 30 30 HIS H H 23 8.810 8.810 8.524 0.286 17827 3131 1 7 . 1 1 31 31 VAL N N 24 130.587 130.587 128.268 2.319 17827 3132 1 7 . 1 1 31 31 VAL HA H 24 5.230 5.230 4.671 0.559 17827 3133 1 7 . 1 1 31 31 VAL C C 24 177.426 177.426 176.417 1.009 17827 3134 1 7 . 1 1 31 31 VAL CA C 24 55.530 55.530 61.350 -5.820 17827 3135 1 7 . 1 1 31 31 VAL CB C 24 31.040 31.040 31.040 0.000 17827 3136 1 7 . 1 1 31 31 VAL H H 24 9.043 9.043 8.791 0.252 17827 3137 1 7 . 1 1 32 32 THR N N 25 122.484 122.484 120.001 2.483 17827 3138 1 7 . 1 1 32 32 THR HA H 25 3.970 3.970 4.428 -0.458 17827 3139 1 7 . 1 1 32 32 THR C C 25 177.437 177.437 175.046 2.391 17827 3140 1 7 . 1 1 32 32 THR CA C 25 66.470 66.470 61.806 4.664 17827 3141 1 7 . 1 1 32 32 THR CB C 25 68.220 68.220 69.834 -1.614 17827 3142 1 7 . 1 1 32 32 THR H H 25 8.245 8.245 8.542 -0.297 17827 3143 1 7 . 1 1 34 34 VAL N N 27 114.090 114.090 116.858 -2.768 17827 3144 1 7 . 1 1 34 34 VAL HA H 27 4.500 4.500 4.150 0.350 17827 3145 1 7 . 1 1 34 34 VAL CA C 27 54.220 54.220 62.068 -7.848 17827 3146 1 7 . 1 1 34 34 VAL CB C 27 27.060 27.060 33.398 -6.338 17827 3147 1 7 . 1 1 34 34 VAL H H 27 6.977 6.977 7.343 -0.366 17827 3148 1 7 . 1 1 35 35 ASN N N 28 116.829 116.829 116.185 0.644 17827 3149 1 7 . 1 1 35 35 ASN HA H 28 4.299 4.299 4.449 -0.150 17827 3150 1 7 . 1 1 35 35 ASN CA C 28 53.650 53.650 53.896 -0.246 17827 3151 1 7 . 1 1 35 35 ASN CB C 28 37.110 37.110 37.950 -0.840 17827 3152 1 7 . 1 1 35 35 ASN H H 28 7.897 7.897 8.211 -0.314 17827 3153 1 7 . 1 1 36 36 ARG N N 29 114.310 114.310 116.892 -2.582 17827 3154 1 7 . 1 1 36 36 ARG HA H 29 4.700 4.700 4.687 0.013 17827 3155 1 7 . 1 1 36 36 ARG C C 29 173.347 173.347 173.822 -0.475 17827 3156 1 7 . 1 1 36 36 ARG CA C 29 54.900 54.900 54.692 0.208 17827 3157 1 7 . 1 1 36 36 ARG CB C 29 34.700 34.700 32.510 2.190 17827 3158 1 7 . 1 1 36 36 ARG H H 29 6.787 6.787 7.632 -0.845 17827 3159 1 7 . 1 1 37 37 ASP N N 30 124.071 124.071 117.699 6.372 17827 3160 1 7 . 1 1 37 37 ASP HA H 30 5.475 5.475 4.650 0.825 17827 3161 1 7 . 1 1 37 37 ASP C C 30 175.354 175.354 174.551 0.803 17827 3162 1 7 . 1 1 37 37 ASP CA C 30 53.660 53.660 53.232 0.428 17827 3163 1 7 . 1 1 37 37 ASP CB C 30 42.260 42.260 43.160 -0.900 17827 3164 1 7 . 1 1 37 37 ASP H H 30 8.760 8.760 8.381 0.379 17827 3165 1 7 . 1 1 38 38 VAL N N 31 123.300 123.300 118.056 5.244 17827 3166 1 7 . 1 1 38 38 VAL HA H 31 4.270 4.270 4.491 -0.221 17827 3167 1 7 . 1 1 38 38 VAL C C 31 174.203 174.203 174.380 -0.177 17827 3168 1 7 . 1 1 38 38 VAL CA C 31 60.700 60.700 59.737 0.963 17827 3169 1 7 . 1 1 38 38 VAL CB C 31 34.620 34.620 36.221 -1.601 17827 3170 1 7 . 1 1 38 38 VAL H H 31 9.187 9.187 8.036 1.151 17827 3171 1 7 . 1 1 39 39 THR N N 32 119.766 119.766 113.753 6.013 17827 3172 1 7 . 1 1 39 39 THR HA H 32 5.095 5.095 4.905 0.190 17827 3173 1 7 . 1 1 39 39 THR C C 32 173.547 173.547 173.082 0.465 17827 3174 1 7 . 1 1 39 39 THR CA C 32 60.550 60.550 60.133 0.417 17827 3175 1 7 . 1 1 39 39 THR CB C 32 70.170 70.170 71.201 -1.031 17827 3176 1 7 . 1 1 39 39 THR H H 32 8.360 8.360 8.134 0.226 17827 3177 1 7 . 1 1 40 40 LEU N N 33 124.522 124.522 122.807 1.715 17827 3178 1 7 . 1 1 40 40 LEU HA H 33 4.590 4.590 4.615 -0.025 17827 3179 1 7 . 1 1 40 40 LEU C C 33 174.691 174.691 175.705 -1.014 17827 3180 1 7 . 1 1 40 40 LEU CA C 33 52.580 52.580 53.663 -1.083 17827 3181 1 7 . 1 1 40 40 LEU CB C 33 45.410 45.410 44.258 1.152 17827 3182 1 7 . 1 1 40 40 LEU H H 33 8.750 8.750 8.120 0.630 17827 3183 1 7 . 1 1 41 41 ARG N N 34 122.712 122.712 124.892 -2.180 17827 3184 1 7 . 1 1 41 41 ARG HA H 34 4.680 4.680 4.686 -0.006 17827 3185 1 7 . 1 1 41 41 ARG C C 34 175.700 175.700 174.475 1.225 17827 3186 1 7 . 1 1 41 41 ARG CA C 34 55.420 55.420 55.109 0.311 17827 3187 1 7 . 1 1 41 41 ARG CB C 34 29.500 29.500 29.675 -0.175 17827 3188 1 7 . 1 1 41 41 ARG H H 34 8.345 8.345 8.761 -0.416 17827 3189 1 7 . 1 1 42 42 VAL N N 35 117.728 117.728 119.449 -1.721 17827 3190 1 7 . 1 1 42 42 VAL HA H 35 4.465 4.465 4.489 -0.024 17827 3191 1 7 . 1 1 42 42 VAL C C 35 173.184 173.184 173.656 -0.472 17827 3192 1 7 . 1 1 42 42 VAL CA C 35 58.670 58.670 58.832 -0.162 17827 3193 1 7 . 1 1 42 42 VAL CB C 35 36.050 36.050 35.442 0.608 17827 3194 1 7 . 1 1 42 42 VAL H H 35 8.640 8.640 7.836 0.804 17827 3195 1 7 . 1 1 43 43 THR N N 36 104.359 104.359 108.307 -3.948 17827 3196 1 7 . 1 1 43 43 THR HA H 36 4.660 4.660 2.546 2.114 17827 3197 1 7 . 1 1 43 43 THR C C 36 174.862 174.862 175.162 -0.300 17827 3198 1 7 . 1 1 43 43 THR CA C 36 59.010 59.010 58.985 0.025 17827 3199 1 7 . 1 1 43 43 THR CB C 36 71.570 71.570 70.993 0.577 17827 3200 1 7 . 1 1 43 43 THR H H 36 6.220 6.220 7.983 -1.763 17827 3201 1 7 . 1 1 44 44 GLY N N 37 105.946 105.946 106.948 -1.002 17827 3202 1 7 . 1 1 44 44 GLY C C 37 173.394 173.394 174.611 -1.217 17827 3203 1 7 . 1 1 44 44 GLY CA C 37 46.830 46.830 47.249 -0.419 17827 3204 1 7 . 1 1 44 44 GLY H H 37 9.160 9.160 8.619 0.541 17827 3205 1 7 . 1 1 45 45 GLU N N 38 113.875 113.875 117.037 -3.162 17827 3206 1 7 . 1 1 45 45 GLU HA H 38 4.290 4.290 4.236 0.054 17827 3207 1 7 . 1 1 45 45 GLU C C 38 176.167 176.167 176.492 -0.325 17827 3208 1 7 . 1 1 45 45 GLU CA C 38 55.500 55.500 55.948 -0.448 17827 3209 1 7 . 1 1 45 45 GLU CB C 38 30.950 30.950 29.897 1.053 17827 3210 1 7 . 1 1 45 45 GLU H H 38 7.500 7.500 7.242 0.258 17827 3211 1 7 . 1 1 46 46 VAL N N 39 121.577 121.577 122.187 -0.610 17827 3212 1 7 . 1 1 46 46 VAL HA H 39 3.820 3.820 3.921 -0.101 17827 3213 1 7 . 1 1 46 46 VAL C C 39 174.651 174.651 175.010 -0.359 17827 3214 1 7 . 1 1 46 46 VAL CA C 39 63.920 63.920 61.989 1.931 17827 3215 1 7 . 1 1 46 46 VAL CB C 39 31.590 31.590 33.089 -1.498 17827 3216 1 7 . 1 1 46 46 VAL H H 39 7.260 7.260 7.656 -0.396 17827 3217 1 7 . 1 1 47 47 HIS N N 40 123.391 123.391 126.373 -2.982 17827 3218 1 7 . 1 1 47 47 HIS HA H 40 5.212 5.212 4.603 0.609 17827 3219 1 7 . 1 1 47 47 HIS C C 40 177.440 177.440 176.607 0.833 17827 3220 1 7 . 1 1 47 47 HIS CA C 40 54.660 54.660 56.961 -2.301 17827 3221 1 7 . 1 1 47 47 HIS CB C 40 30.910 30.910 31.038 -0.128 17827 3222 1 7 . 1 1 47 47 HIS H H 40 8.285 8.285 8.289 -0.004 17827 3223 1 7 . 1 1 48 48 ILE N N 41 124.071 124.071 124.479 -0.408 17827 3224 1 7 . 1 1 48 48 ILE HA H 41 3.530 3.530 3.823 -0.293 17827 3225 1 7 . 1 1 48 48 ILE C C 41 178.941 178.941 178.178 0.763 17827 3226 1 7 . 1 1 48 48 ILE CA C 41 62.330 62.330 65.320 -2.990 17827 3227 1 7 . 1 1 48 48 ILE CB C 41 34.230 34.230 37.846 -3.616 17827 3228 1 7 . 1 1 48 48 ILE H H 41 8.863 8.863 8.909 -0.046 17827 3229 1 7 . 1 1 49 49 GLY N N 42 106.853 106.853 105.172 1.681 17827 3230 1 7 . 1 1 49 49 GLY C C 42 175.669 175.669 175.484 0.185 17827 3231 1 7 . 1 1 49 49 GLY CA C 42 45.320 45.320 46.330 -1.010 17827 3232 1 7 . 1 1 49 49 GLY H H 42 9.720 9.720 8.704 1.016 17827 3233 1 7 . 1 1 50 50 GLY N N 43 109.571 109.571 109.020 0.551 17827 3234 1 7 . 1 1 50 50 GLY C C 43 175.847 175.847 175.563 0.284 17827 3235 1 7 . 1 1 50 50 GLY CA C 43 47.000 47.000 45.677 1.323 17827 3236 1 7 . 1 1 50 50 GLY H H 43 6.950 6.950 8.252 -1.302 17827 3237 1 7 . 1 1 51 51 VAL N N 44 123.163 123.163 124.179 -1.016 17827 3238 1 7 . 1 1 51 51 VAL HA H 44 3.115 3.115 3.668 -0.553 17827 3239 1 7 . 1 1 51 51 VAL C C 44 176.804 176.804 177.973 -1.169 17827 3240 1 7 . 1 1 51 51 VAL CA C 44 66.660 66.660 67.454 -0.794 17827 3241 1 7 . 1 1 51 51 VAL CB C 44 30.730 30.730 31.838 -1.108 17827 3242 1 7 . 1 1 51 51 VAL H H 44 7.860 7.860 8.732 -0.872 17827 3243 1 7 . 1 1 52 52 MET N N 45 115.913 115.913 117.629 -1.716 17827 3244 1 7 . 1 1 52 52 MET HA H 45 3.410 3.410 4.141 -0.731 17827 3245 1 7 . 1 1 52 52 MET C C 45 176.881 176.881 178.209 -1.328 17827 3246 1 7 . 1 1 52 52 MET CA C 45 59.830 59.830 59.603 0.227 17827 3247 1 7 . 1 1 52 52 MET CB C 45 32.310 32.310 31.815 0.495 17827 3248 1 7 . 1 1 52 52 MET H H 45 7.940 7.940 7.876 0.064 17827 3249 1 7 . 1 1 53 53 LEU N N 46 118.291 118.291 121.530 -3.239 17827 3250 1 7 . 1 1 53 53 LEU HA H 46 3.940 3.940 4.146 -0.206 17827 3251 1 7 . 1 1 53 53 LEU C C 46 179.178 179.178 179.417 -0.239 17827 3252 1 7 . 1 1 53 53 LEU CA C 46 58.500 58.500 58.181 0.319 17827 3253 1 7 . 1 1 53 53 LEU CB C 46 41.930 41.930 41.202 0.728 17827 3254 1 7 . 1 1 53 53 LEU H H 46 7.550 7.550 7.783 -0.233 17827 3255 1 7 . 1 1 54 54 LYS N N 47 118.142 118.142 119.145 -1.003 17827 3256 1 7 . 1 1 54 54 LYS HA H 47 3.870 3.870 4.205 -0.335 17827 3257 1 7 . 1 1 54 54 LYS C C 47 178.616 178.616 179.240 -0.624 17827 3258 1 7 . 1 1 54 54 LYS CA C 47 57.980 57.980 59.163 -1.183 17827 3259 1 7 . 1 1 54 54 LYS CB C 47 32.320 32.320 32.074 0.246 17827 3260 1 7 . 1 1 54 54 LYS H H 47 7.665 7.665 8.716 -1.052 17827 3261 1 7 . 1 1 55 55 LEU N N 48 119.385 119.385 120.431 -1.046 17827 3262 1 7 . 1 1 55 55 LEU HA H 48 3.570 3.570 4.286 -0.716 17827 3263 1 7 . 1 1 55 55 LEU C C 48 177.405 177.405 177.806 -0.401 17827 3264 1 7 . 1 1 55 55 LEU CA C 48 57.790 57.790 57.737 0.053 17827 3265 1 7 . 1 1 55 55 LEU CB C 48 41.590 41.590 42.183 -0.593 17827 3266 1 7 . 1 1 55 55 LEU H H 48 7.975 7.975 7.705 0.270 17827 3267 1 7 . 1 1 56 56 VAL N N 49 116.141 116.141 119.499 -3.358 17827 3268 1 7 . 1 1 56 56 VAL HA H 49 2.990 2.990 3.582 -0.592 17827 3269 1 7 . 1 1 56 56 VAL C C 49 178.564 178.564 178.425 0.139 17827 3270 1 7 . 1 1 56 56 VAL CA C 49 66.310 66.310 66.903 -0.593 17827 3271 1 7 . 1 1 56 56 VAL CB C 49 31.300 31.300 31.322 -0.022 17827 3272 1 7 . 1 1 56 56 VAL H H 49 7.615 7.615 8.972 -1.357 17827 3273 1 7 . 1 1 57 57 GLU N N 50 118.631 118.631 117.711 0.920 17827 3274 1 7 . 1 1 57 57 GLU HA H 50 3.965 3.965 4.113 -0.148 17827 3275 1 7 . 1 1 57 57 GLU C C 50 178.030 178.030 177.860 0.170 17827 3276 1 7 . 1 1 57 57 GLU CA C 50 58.500 58.500 58.749 -0.249 17827 3277 1 7 . 1 1 57 57 GLU CB C 50 29.610 29.610 29.728 -0.118 17827 3278 1 7 . 1 1 57 57 GLU H H 50 7.575 7.575 8.740 -1.165 17827 3279 1 7 . 1 1 58 58 LYS N N 51 117.053 117.053 118.077 -1.024 17827 3280 1 7 . 1 1 58 58 LYS HA H 51 4.130 4.130 4.024 0.106 17827 3281 1 7 . 1 1 58 58 LYS C C 51 176.956 176.956 178.354 -1.398 17827 3282 1 7 . 1 1 58 58 LYS CA C 51 56.660 56.660 58.457 -1.797 17827 3283 1 7 . 1 1 58 58 LYS CB C 51 32.660 32.660 32.825 -0.165 17827 3284 1 7 . 1 1 58 58 LYS H H 51 7.490 7.490 7.494 -0.004 17827 3285 1 7 . 1 1 59 59 LEU N N 52 119.460 119.460 119.080 0.380 17827 3286 1 7 . 1 1 59 59 LEU HA H 52 4.122 4.122 4.053 0.069 17827 3287 1 7 . 1 1 59 59 LEU C C 52 176.645 176.645 177.094 -0.449 17827 3288 1 7 . 1 1 59 59 LEU CA C 52 56.660 56.660 55.762 0.898 17827 3289 1 7 . 1 1 59 59 LEU CB C 52 42.700 42.700 42.058 0.642 17827 3290 1 7 . 1 1 59 59 LEU H H 52 7.470 7.470 7.912 -0.442 17827 3291 1 7 . 1 1 62 62 LYS C C 55 175.670 175.670 176.206 -0.536 17827 3292 1 7 . 1 1 63 63 LYS N N 56 122.430 122.430 120.269 2.161 17827 3293 1 7 . 1 1 63 63 LYS HA H 56 4.030 4.030 4.046 -0.016 17827 3294 1 7 . 1 1 63 63 LYS C C 56 172.850 172.850 175.177 -2.327 17827 3295 1 7 . 1 1 63 63 LYS CA C 56 54.530 54.530 55.840 -1.310 17827 3296 1 7 . 1 1 63 63 LYS CB C 56 34.440 34.440 33.105 1.335 17827 3297 1 7 . 1 1 63 63 LYS H H 56 7.245 7.245 7.446 -0.201 17827 3298 1 7 . 1 1 64 64 ASP N N 57 118.867 118.867 120.623 -1.756 17827 3299 1 7 . 1 1 64 64 ASP HA H 57 4.530 4.530 3.791 0.739 17827 3300 1 7 . 1 1 64 64 ASP C C 57 176.710 176.710 174.514 2.196 17827 3301 1 7 . 1 1 64 64 ASP CA C 57 52.500 52.500 53.863 -1.363 17827 3302 1 7 . 1 1 64 64 ASP CB C 57 40.320 40.320 41.097 -0.777 17827 3303 1 7 . 1 1 64 64 ASP H H 57 7.867 7.867 7.931 -0.064 17827 3304 1 7 . 1 1 65 65 TRP N N 58 128.827 128.827 120.569 8.258 17827 3305 1 7 . 1 1 65 65 TRP HA H 58 4.540 4.540 4.429 0.111 17827 3306 1 7 . 1 1 65 65 TRP C C 58 178.390 178.390 177.646 0.744 17827 3307 1 7 . 1 1 65 65 TRP CA C 58 52.860 52.860 57.880 -5.020 17827 3308 1 7 . 1 1 65 65 TRP CB C 58 29.420 29.420 29.407 0.013 17827 3309 1 7 . 1 1 65 65 TRP H H 58 8.790 8.790 8.007 0.783 17827 3310 1 7 . 1 1 66 66 SER N N 59 117.724 117.724 114.433 3.291 17827 3311 1 7 . 1 1 66 66 SER HA H 59 4.143 4.143 4.312 -0.170 17827 3312 1 7 . 1 1 66 66 SER C C 59 174.471 174.471 174.789 -0.318 17827 3313 1 7 . 1 1 66 66 SER CA C 59 62.350 62.350 60.071 2.279 17827 3314 1 7 . 1 1 66 66 SER CB C 59 63.110 63.110 62.949 0.161 17827 3315 1 7 . 1 1 66 66 SER H H 59 8.637 8.637 8.222 0.415 17827 3316 1 7 . 1 1 67 67 ASP N N 60 121.042 121.042 120.227 0.815 17827 3317 1 7 . 1 1 67 67 ASP C C 60 176.206 176.206 176.118 0.088 17827 3318 1 7 . 1 1 67 67 ASP CB C 60 42.560 42.560 41.251 1.309 17827 3319 1 7 . 1 1 67 67 ASP H H 60 8.895 8.895 8.094 0.801 17827 3320 1 7 . 1 1 68 68 HIS N N 61 121.519 121.519 118.195 3.324 17827 3321 1 7 . 1 1 68 68 HIS HA H 61 4.490 4.490 4.341 0.149 17827 3322 1 7 . 1 1 68 68 HIS C C 61 174.546 174.546 173.939 0.607 17827 3323 1 7 . 1 1 68 68 HIS CA C 61 57.940 57.940 54.887 3.053 17827 3324 1 7 . 1 1 68 68 HIS CB C 61 39.410 39.410 30.454 8.956 17827 3325 1 7 . 1 1 68 68 HIS H H 61 7.958 7.958 7.214 0.744 17827 3326 1 7 . 1 1 69 69 ALA N N 62 122.256 122.256 118.438 3.818 17827 3327 1 7 . 1 1 69 69 ALA C C 62 175.294 175.294 174.574 0.720 17827 3328 1 7 . 1 1 69 69 ALA CB C 62 22.470 22.470 22.193 0.277 17827 3329 1 7 . 1 1 69 69 ALA H H 62 8.575 8.575 8.487 0.088 17827 3330 1 7 . 1 1 70 70 LEU N N 63 118.904 118.904 119.793 -0.889 17827 3331 1 7 . 1 1 70 70 LEU HA H 63 5.654 5.654 4.873 0.781 17827 3332 1 7 . 1 1 70 70 LEU C C 63 174.445 174.445 176.321 -1.876 17827 3333 1 7 . 1 1 70 70 LEU CA C 63 53.930 53.930 52.999 0.931 17827 3334 1 7 . 1 1 70 70 LEU CB C 63 44.300 44.300 42.365 1.935 17827 3335 1 7 . 1 1 70 70 LEU H H 63 9.150 9.150 8.722 0.428 17827 3336 1 7 . 1 1 71 71 TRP N N 64 125.367 125.367 127.198 -1.831 17827 3337 1 7 . 1 1 71 71 TRP C C 64 174.010 174.010 175.541 -1.531 17827 3338 1 7 . 1 1 71 71 TRP CB C 64 32.210 32.210 30.751 1.459 17827 3339 1 7 . 1 1 71 71 TRP H H 64 9.590 9.590 8.476 1.114 17827 3340 1 7 . 1 1 72 72 TRP N N 65 129.982 129.982 129.410 0.572 17827 3341 1 7 . 1 1 72 72 TRP HA H 65 4.980 4.980 4.835 0.145 17827 3342 1 7 . 1 1 72 72 TRP C C 65 174.335 174.335 176.165 -1.830 17827 3343 1 7 . 1 1 72 72 TRP CA C 65 51.440 51.440 54.262 -2.822 17827 3344 1 7 . 1 1 72 72 TRP CB C 65 30.490 30.490 30.145 0.345 17827 3345 1 7 . 1 1 72 72 TRP H H 65 8.277 8.277 8.834 -0.557 17827 3346 1 7 . 1 1 73 73 GLU N N 66 129.112 129.112 127.158 1.954 17827 3347 1 7 . 1 1 73 73 GLU HA H 66 3.300 3.300 3.825 -0.525 17827 3348 1 7 . 1 1 73 73 GLU C C 66 178.595 178.595 176.861 1.734 17827 3349 1 7 . 1 1 73 73 GLU CA C 66 59.920 59.920 59.007 0.913 17827 3350 1 7 . 1 1 73 73 GLU CB C 66 29.060 29.060 28.882 0.178 17827 3351 1 7 . 1 1 73 73 GLU H H 66 8.969 8.969 8.962 0.007 17827 3352 1 7 . 1 1 74 74 LYS N N 67 117.492 117.492 119.222 -1.730 17827 3353 1 7 . 1 1 74 74 LYS HA H 67 3.702 3.702 3.825 -0.123 17827 3354 1 7 . 1 1 74 74 LYS C C 67 176.361 176.361 177.228 -0.867 17827 3355 1 7 . 1 1 74 74 LYS CA C 67 58.660 58.660 58.456 0.204 17827 3356 1 7 . 1 1 74 74 LYS CB C 67 32.020 32.020 31.558 0.462 17827 3357 1 7 . 1 1 74 74 LYS H H 67 7.860 7.860 8.056 -0.196 17827 3358 1 7 . 1 1 75 75 LYS N N 68 121.233 121.233 114.474 6.759 17827 3359 1 7 . 1 1 75 75 LYS HA H 68 3.935 3.935 4.142 -0.207 17827 3360 1 7 . 1 1 75 75 LYS C C 68 174.183 174.183 175.329 -1.146 17827 3361 1 7 . 1 1 75 75 LYS CA C 68 53.400 53.400 54.825 -1.425 17827 3362 1 7 . 1 1 75 75 LYS CB C 68 32.200 32.200 33.123 -0.923 17827 3363 1 7 . 1 1 75 75 LYS H H 68 7.500 7.500 7.042 0.458 17827 3364 1 7 . 1 1 76 76 ARG N N 69 121.125 121.125 116.882 4.243 17827 3365 1 7 . 1 1 76 76 ARG HA H 69 2.890 2.890 3.075 -0.185 17827 3366 1 7 . 1 1 76 76 ARG C C 69 173.984 173.984 174.330 -0.346 17827 3367 1 7 . 1 1 76 76 ARG CA C 69 56.316 56.316 56.523 -0.207 17827 3368 1 7 . 1 1 76 76 ARG CB C 69 27.090 27.090 26.473 0.617 17827 3369 1 7 . 1 1 76 76 ARG H H 69 7.500 7.500 8.046 -0.546 17827 3370 1 7 . 1 1 77 77 THR N N 70 110.478 110.478 111.070 -0.592 17827 3371 1 7 . 1 1 77 77 THR HA H 70 4.650 4.650 3.946 0.704 17827 3372 1 7 . 1 1 77 77 THR C C 70 171.846 171.846 172.867 -1.021 17827 3373 1 7 . 1 1 77 77 THR CA C 70 61.630 61.630 59.369 2.261 17827 3374 1 7 . 1 1 77 77 THR CB C 70 72.210 72.210 70.139 2.071 17827 3375 1 7 . 1 1 77 77 THR H H 70 6.280 6.280 7.174 -0.894 17827 3376 1 7 . 1 1 78 78 TRP N N 71 127.244 127.244 119.948 7.296 17827 3377 1 7 . 1 1 78 78 TRP HA H 71 4.750 4.750 5.729 -0.979 17827 3378 1 7 . 1 1 78 78 TRP C C 71 177.303 177.303 175.779 1.524 17827 3379 1 7 . 1 1 78 78 TRP CA C 71 56.240 56.240 54.628 1.612 17827 3380 1 7 . 1 1 78 78 TRP CB C 71 30.500 30.500 31.770 -1.270 17827 3381 1 7 . 1 1 78 78 TRP H H 71 8.795 8.795 7.701 1.094 17827 3382 1 7 . 1 1 79 79 LEU N N 72 125.202 125.202 122.750 2.452 17827 3383 1 7 . 1 1 79 79 LEU HA H 72 4.500 4.500 4.854 -0.354 17827 3384 1 7 . 1 1 79 79 LEU C C 72 175.667 175.667 176.595 -0.928 17827 3385 1 7 . 1 1 79 79 LEU CA C 72 52.510 52.510 54.486 -1.976 17827 3386 1 7 . 1 1 79 79 LEU CB C 72 38.240 38.240 41.569 -3.329 17827 3387 1 7 . 1 1 79 79 LEU H H 72 9.175 9.175 8.290 0.885 17827 3388 1 7 . 1 1 80 80 LEU N N 73 119.170 119.170 121.197 -2.027 17827 3389 1 7 . 1 1 80 80 LEU HA H 73 4.380 4.380 4.768 -0.388 17827 3390 1 7 . 1 1 80 80 LEU C C 73 178.139 178.139 176.594 1.545 17827 3391 1 7 . 1 1 80 80 LEU CA C 73 54.700 54.700 54.975 -0.275 17827 3392 1 7 . 1 1 80 80 LEU CB C 73 42.170 42.170 43.119 -0.949 17827 3393 1 7 . 1 1 80 80 LEU H H 73 7.280 7.280 8.527 -1.247 17827 3394 1 7 . 1 1 81 81 LYS N N 74 119.766 119.766 119.380 0.386 17827 3395 1 7 . 1 1 81 81 LYS HA H 74 4.435 4.435 4.388 0.047 17827 3396 1 7 . 1 1 81 81 LYS C C 74 176.601 176.601 177.058 -0.457 17827 3397 1 7 . 1 1 81 81 LYS CA C 74 54.660 54.660 56.421 -1.761 17827 3398 1 7 . 1 1 81 81 LYS CB C 74 28.540 28.540 33.641 -5.101 17827 3399 1 7 . 1 1 81 81 LYS H H 74 7.865 7.865 7.741 0.124 17827 3400 1 7 . 1 1 82 82 THR N N 75 115.636 115.636 114.866 0.770 17827 3401 1 7 . 1 1 82 82 THR HA H 75 3.800 3.800 4.394 -0.594 17827 3402 1 7 . 1 1 82 82 THR C C 75 174.806 174.806 175.366 -0.560 17827 3403 1 7 . 1 1 82 82 THR CA C 75 64.650 64.650 63.675 0.975 17827 3404 1 7 . 1 1 82 82 THR CB C 75 68.260 68.260 69.025 -0.765 17827 3405 1 7 . 1 1 82 82 THR H H 75 7.910 7.910 8.687 -0.777 17827 3406 1 7 . 1 1 83 83 HIS N N 76 116.767 116.767 117.556 -0.789 17827 3407 1 7 . 1 1 83 83 HIS C C 76 176.370 176.370 174.633 1.737 17827 3408 1 7 . 1 1 83 83 HIS CB C 76 30.210 30.210 30.005 0.205 17827 3409 1 7 . 1 1 83 83 HIS H H 76 8.965 8.965 8.280 0.685 17827 3410 1 7 . 1 1 84 84 TRP N N 77 123.905 123.905 119.372 4.533 17827 3411 1 7 . 1 1 84 84 TRP C C 77 175.584 175.584 175.355 0.229 17827 3412 1 7 . 1 1 84 84 TRP CB C 77 30.390 30.390 28.444 1.946 17827 3413 1 7 . 1 1 84 84 TRP H H 77 7.635 7.635 7.545 0.090 17827 3414 1 7 . 1 1 85 85 THR N N 78 108.440 108.440 115.376 -6.936 17827 3415 1 7 . 1 1 85 85 THR HA H 78 4.900 4.900 4.217 0.683 17827 3416 1 7 . 1 1 85 85 THR C C 78 175.691 175.691 176.316 -0.625 17827 3417 1 7 . 1 1 85 85 THR CA C 78 59.500 59.500 63.722 -4.222 17827 3418 1 7 . 1 1 85 85 THR CB C 78 70.600 70.600 69.373 1.227 17827 3419 1 7 . 1 1 85 85 THR H H 78 7.030 7.030 7.782 -0.752 17827 3420 1 7 . 1 1 86 86 LEU N N 79 119.766 119.766 121.827 -2.061 17827 3421 1 7 . 1 1 86 86 LEU HA H 79 4.040 4.040 4.034 0.006 17827 3422 1 7 . 1 1 86 86 LEU C C 79 179.734 179.734 179.079 0.655 17827 3423 1 7 . 1 1 86 86 LEU CA C 79 58.750 58.750 59.413 -0.663 17827 3424 1 7 . 1 1 86 86 LEU CB C 79 40.450 40.450 40.866 -0.416 17827 3425 1 7 . 1 1 86 86 LEU H H 79 8.045 8.045 8.493 -0.448 17827 3426 1 7 . 1 1 87 87 ASP N N 80 118.407 118.407 119.157 -0.750 17827 3427 1 7 . 1 1 87 87 ASP HA H 80 4.440 4.440 4.368 0.072 17827 3428 1 7 . 1 1 87 87 ASP C C 80 179.152 179.152 178.643 0.509 17827 3429 1 7 . 1 1 87 87 ASP CA C 80 57.320 57.320 56.993 0.327 17827 3430 1 7 . 1 1 87 87 ASP CB C 80 40.320 40.320 40.555 -0.235 17827 3431 1 7 . 1 1 87 87 ASP H H 80 8.935 8.935 8.857 0.078 17827 3432 1 7 . 1 1 88 88 LYS N N 81 123.300 123.300 119.771 3.529 17827 3433 1 7 . 1 1 88 88 LYS HA H 81 3.700 3.700 3.835 -0.135 17827 3434 1 7 . 1 1 88 88 LYS C C 81 178.721 178.721 178.104 0.617 17827 3435 1 7 . 1 1 88 88 LYS CA C 81 59.020 59.020 59.001 0.019 17827 3436 1 7 . 1 1 88 88 LYS CB C 81 31.640 31.640 31.890 -0.250 17827 3437 1 7 . 1 1 88 88 LYS H H 81 8.055 8.055 7.986 0.069 17827 3438 1 7 . 1 1 89 89 TYR N N 82 115.690 115.690 116.990 -1.300 17827 3439 1 7 . 1 1 89 89 TYR HA H 82 4.580 4.580 4.435 0.145 17827 3440 1 7 . 1 1 89 89 TYR C C 82 176.164 176.164 175.942 0.222 17827 3441 1 7 . 1 1 89 89 TYR CA C 82 61.750 61.750 59.487 2.263 17827 3442 1 7 . 1 1 89 89 TYR CB C 82 40.750 40.750 39.079 1.671 17827 3443 1 7 . 1 1 89 89 TYR H H 82 7.730 7.730 7.762 -0.032 17827 3444 1 7 . 1 1 90 90 GLY N N 83 108.212 108.212 107.049 1.163 17827 3445 1 7 . 1 1 90 90 GLY C C 83 174.555 174.555 174.435 0.120 17827 3446 1 7 . 1 1 90 90 GLY CA C 83 45.510 45.510 45.008 0.501 17827 3447 1 7 . 1 1 90 90 GLY H H 83 8.030 8.030 8.042 -0.012 17827 3448 1 7 . 1 1 91 91 ILE N N 84 122.960 122.960 120.468 2.492 17827 3449 1 7 . 1 1 91 91 ILE HA H 84 3.370 3.370 4.152 -0.782 17827 3450 1 7 . 1 1 91 91 ILE C C 84 173.611 173.611 174.974 -1.363 17827 3451 1 7 . 1 1 91 91 ILE CA C 84 61.700 61.700 61.362 0.338 17827 3452 1 7 . 1 1 91 91 ILE CB C 84 37.610 37.610 39.137 -1.527 17827 3453 1 7 . 1 1 91 91 ILE H H 84 7.850 7.850 7.865 -0.015 17827 3454 1 7 . 1 1 92 92 GLN N N 85 125.429 125.429 123.929 1.500 17827 3455 1 7 . 1 1 92 92 GLN HA H 85 3.880 3.880 3.709 0.171 17827 3456 1 7 . 1 1 92 92 GLN C C 85 174.756 174.756 175.948 -1.192 17827 3457 1 7 . 1 1 92 92 GLN CA C 85 53.720 53.720 54.769 -1.049 17827 3458 1 7 . 1 1 92 92 GLN CB C 85 31.150 31.150 31.458 -0.308 17827 3459 1 7 . 1 1 92 92 GLN H H 85 7.700 7.700 8.317 -0.617 17827 3460 1 7 . 1 1 93 93 ALA N N 86 118.217 118.217 121.310 -3.093 17827 3461 1 7 . 1 1 93 93 ALA HA H 86 3.800 3.800 4.292 -0.492 17827 3462 1 7 . 1 1 93 93 ALA C C 86 177.201 177.201 177.405 -0.204 17827 3463 1 7 . 1 1 93 93 ALA CA C 86 54.080 54.080 53.169 0.911 17827 3464 1 7 . 1 1 93 93 ALA CB C 86 18.410 18.410 18.744 -0.334 17827 3465 1 7 . 1 1 93 93 ALA H H 86 6.886 6.886 8.118 -1.232 17827 3466 1 7 . 1 1 94 94 ASP N N 87 113.647 113.647 116.726 -3.079 17827 3467 1 7 . 1 1 94 94 ASP HA H 87 4.420 4.420 4.544 -0.124 17827 3468 1 7 . 1 1 94 94 ASP C C 87 176.218 176.218 175.140 1.078 17827 3469 1 7 . 1 1 94 94 ASP CA C 87 54.060 54.060 53.603 0.457 17827 3470 1 7 . 1 1 94 94 ASP CB C 87 39.600 39.600 40.961 -1.361 17827 3471 1 7 . 1 1 94 94 ASP H H 87 8.223 8.223 8.098 0.125 17827 3472 1 7 . 1 1 95 95 ALA N N 88 124.145 124.145 122.714 1.431 17827 3473 1 7 . 1 1 95 95 ALA HA H 88 4.306 4.306 4.494 -0.188 17827 3474 1 7 . 1 1 95 95 ALA C C 88 176.630 176.630 176.379 0.251 17827 3475 1 7 . 1 1 95 95 ALA CA C 88 53.320 53.320 51.691 1.629 17827 3476 1 7 . 1 1 95 95 ALA CB C 88 20.020 20.020 19.333 0.687 17827 3477 1 7 . 1 1 95 95 ALA H H 88 7.941 7.941 7.122 0.819 17827 3478 1 7 . 1 1 96 96 LYS N N 89 120.897 120.897 126.500 -5.603 17827 3479 1 7 . 1 1 96 96 LYS HA H 89 4.826 4.826 4.713 0.113 17827 3480 1 7 . 1 1 96 96 LYS C C 89 176.161 176.161 176.167 -0.006 17827 3481 1 7 . 1 1 96 96 LYS CA C 89 54.736 54.736 55.162 -0.426 17827 3482 1 7 . 1 1 96 96 LYS CB C 89 32.390 32.390 32.214 0.176 17827 3483 1 7 . 1 1 96 96 LYS H H 89 8.500 8.500 8.550 -0.050 17827 3484 1 7 . 1 1 97 97 LEU N N 90 122.960 122.960 124.095 -1.135 17827 3485 1 7 . 1 1 97 97 LEU HA H 90 5.075 5.075 4.383 0.692 17827 3486 1 7 . 1 1 97 97 LEU C C 90 176.394 176.394 177.212 -0.818 17827 3487 1 7 . 1 1 97 97 LEU CA C 90 53.060 53.060 54.755 -1.695 17827 3488 1 7 . 1 1 97 97 LEU CB C 90 44.850 44.850 42.932 1.918 17827 3489 1 7 . 1 1 97 97 LEU H H 90 8.566 8.566 8.825 -0.259 17827 3490 1 7 . 1 1 98 98 GLN N N 91 119.538 119.538 116.018 3.520 17827 3491 1 7 . 1 1 98 98 GLN HA H 91 5.710 5.710 4.908 0.802 17827 3492 1 7 . 1 1 98 98 GLN C C 91 174.144 174.144 174.585 -0.441 17827 3493 1 7 . 1 1 98 98 GLN CA C 91 54.360 54.360 54.730 -0.370 17827 3494 1 7 . 1 1 98 98 GLN CB C 91 32.290 32.290 32.967 -0.677 17827 3495 1 7 . 1 1 98 98 GLN H H 91 9.060 9.060 8.054 1.006 17827 3496 1 7 . 1 1 99 99 PHE N N 92 125.674 125.674 120.151 5.523 17827 3497 1 7 . 1 1 99 99 PHE HA H 92 5.700 5.700 5.355 0.345 17827 3498 1 7 . 1 1 99 99 PHE C C 92 174.537 174.537 173.937 0.600 17827 3499 1 7 . 1 1 99 99 PHE CA C 92 54.190 54.190 56.519 -2.329 17827 3500 1 7 . 1 1 99 99 PHE CB C 92 41.080 41.080 43.742 -2.662 17827 3501 1 7 . 1 1 99 99 PHE H H 92 9.290 9.290 9.738 -0.448 17827 3502 1 7 . 1 1 100 100 THR N N 93 124.543 124.543 117.801 6.742 17827 3503 1 7 . 1 1 100 100 THR HA H 93 5.100 5.100 4.903 0.197 17827 3504 1 7 . 1 1 100 100 THR C C 93 180.164 180.164 171.827 8.337 17827 3505 1 7 . 1 1 100 100 THR CA C 93 58.830 58.830 59.172 -0.342 17827 3506 1 7 . 1 1 100 100 THR CB C 93 73.610 73.610 71.170 2.440 17827 3507 1 7 . 1 1 100 100 THR H H 93 8.945 8.945 8.541 0.404 17827 3508 1 8 . 1 1 9 9 ALA N N 2 124.336 124.336 123.839 0.497 17827 3509 1 8 . 1 1 9 9 ALA HA H 2 4.210 4.210 4.575 -0.365 17827 3510 1 8 . 1 1 9 9 ALA C C 2 177.598 177.598 175.884 1.714 17827 3511 1 8 . 1 1 9 9 ALA CA C 2 52.440 52.440 51.624 0.816 17827 3512 1 8 . 1 1 9 9 ALA CB C 2 19.030 19.030 19.358 -0.328 17827 3513 1 8 . 1 1 9 9 ALA H H 2 8.018 8.018 8.276 -0.258 17827 3514 1 8 . 1 1 10 10 LEU N N 3 121.125 121.125 123.600 -2.475 17827 3515 1 8 . 1 1 10 10 LEU HA H 3 4.210 4.210 4.309 -0.099 17827 3516 1 8 . 1 1 10 10 LEU C C 3 177.094 177.094 177.748 -0.654 17827 3517 1 8 . 1 1 10 10 LEU CA C 3 55.320 55.320 56.023 -0.702 17827 3518 1 8 . 1 1 10 10 LEU CB C 3 42.170 42.170 42.202 -0.032 17827 3519 1 8 . 1 1 10 10 LEU H H 3 8.057 8.057 8.465 -0.408 17827 3520 1 8 . 1 1 11 11 ASP N N 4 119.766 119.766 117.325 2.441 17827 3521 1 8 . 1 1 11 11 ASP HA H 4 4.475 4.475 4.375 0.100 17827 3522 1 8 . 1 1 11 11 ASP C C 4 176.509 176.509 176.494 0.015 17827 3523 1 8 . 1 1 11 11 ASP CA C 4 54.550 54.550 55.993 -1.443 17827 3524 1 8 . 1 1 11 11 ASP CB C 4 40.950 40.950 39.903 1.047 17827 3525 1 8 . 1 1 11 11 ASP H H 4 8.145 8.145 8.588 -0.443 17827 3526 1 8 . 1 1 12 12 GLY N N 5 108.440 108.440 105.860 2.580 17827 3527 1 8 . 1 1 12 12 GLY C C 5 173.692 173.692 175.855 -2.163 17827 3528 1 8 . 1 1 12 12 GLY CA C 5 45.310 45.310 44.894 0.416 17827 3529 1 8 . 1 1 12 12 GLY H H 5 8.110 8.110 7.738 0.372 17827 3530 1 8 . 1 1 13 13 ILE N N 6 119.766 119.766 121.541 -1.775 17827 3531 1 8 . 1 1 13 13 ILE HA H 6 4.100 4.100 3.551 0.549 17827 3532 1 8 . 1 1 13 13 ILE C C 6 175.525 175.525 176.881 -1.356 17827 3533 1 8 . 1 1 13 13 ILE CA C 6 60.710 60.710 64.357 -3.647 17827 3534 1 8 . 1 1 13 13 ILE CB C 6 38.430 38.430 37.493 0.937 17827 3535 1 8 . 1 1 13 13 ILE H H 6 7.790 7.790 8.038 -0.248 17827 3536 1 8 . 1 1 14 14 ARG N N 7 125.657 125.657 118.872 6.785 17827 3537 1 8 . 1 1 14 14 ARG HA H 7 4.210 4.210 4.113 0.097 17827 3538 1 8 . 1 1 14 14 ARG C C 7 175.810 175.810 176.495 -0.685 17827 3539 1 8 . 1 1 14 14 ARG CA C 7 55.640 55.640 57.959 -2.319 17827 3540 1 8 . 1 1 14 14 ARG CB C 7 30.990 30.990 30.078 0.912 17827 3541 1 8 . 1 1 14 14 ARG H H 7 8.410 8.410 7.879 0.531 17827 3542 1 8 . 1 1 15 15 MET N N 8 123.598 123.598 115.030 8.568 17827 3543 1 8 . 1 1 15 15 MET HA H 8 4.210 4.210 5.024 -0.814 17827 3544 1 8 . 1 1 15 15 MET C C 8 174.950 174.950 174.377 0.573 17827 3545 1 8 . 1 1 15 15 MET CA C 8 55.330 55.330 54.006 1.324 17827 3546 1 8 . 1 1 15 15 MET CB C 8 31.730 31.730 32.800 -1.070 17827 3547 1 8 . 1 1 15 15 MET H H 8 8.495 8.495 8.013 0.482 17827 3548 1 8 . 1 1 16 16 PRO HA H 9 4.290 4.290 4.327 -0.037 17827 3549 1 8 . 1 1 16 16 PRO C C 9 176.228 176.228 176.550 -0.322 17827 3550 1 8 . 1 1 16 16 PRO CA C 9 63.370 63.370 64.657 -1.287 17827 3551 1 8 . 1 1 16 16 PRO CB C 9 31.820 31.820 30.883 0.937 17827 3552 1 8 . 1 1 17 17 ASP N N 10 117.952 117.952 119.385 -1.433 17827 3553 1 8 . 1 1 17 17 ASP HA H 10 4.420 4.420 4.505 -0.085 17827 3554 1 8 . 1 1 17 17 ASP C C 10 176.714 176.714 177.336 -0.622 17827 3555 1 8 . 1 1 17 17 ASP CA C 10 54.130 54.130 56.565 -2.435 17827 3556 1 8 . 1 1 17 17 ASP CB C 10 40.430 40.430 40.679 -0.249 17827 3557 1 8 . 1 1 17 17 ASP H H 10 8.076 8.076 7.970 0.106 17827 3558 1 8 . 1 1 18 18 GLY N N 11 108.663 108.663 103.448 5.215 17827 3559 1 8 . 1 1 18 18 GLY C C 11 173.819 173.819 174.948 -1.129 17827 3560 1 8 . 1 1 18 18 GLY CA C 11 45.300 45.300 44.801 0.499 17827 3561 1 8 . 1 1 18 18 GLY H H 11 8.255 8.255 7.682 0.573 17827 3562 1 8 . 1 1 19 19 CYS N N 12 118.179 118.179 122.459 -4.280 17827 3563 1 8 . 1 1 19 19 CYS HA H 12 4.550 4.550 4.307 0.243 17827 3564 1 8 . 1 1 19 19 CYS C C 12 174.073 174.073 176.299 -2.226 17827 3565 1 8 . 1 1 19 19 CYS CA C 12 58.420 58.420 61.779 -3.359 17827 3566 1 8 . 1 1 19 19 CYS CB C 12 28.400 28.400 28.346 0.054 17827 3567 1 8 . 1 1 19 19 CYS H H 12 7.850 7.850 8.628 -0.778 17827 3568 1 8 . 1 1 20 20 TYR N N 13 120.897 120.897 122.713 -1.816 17827 3569 1 8 . 1 1 20 20 TYR HA H 13 4.550 4.550 4.349 0.201 17827 3570 1 8 . 1 1 20 20 TYR C C 13 176.748 176.748 174.502 2.246 17827 3571 1 8 . 1 1 20 20 TYR CA C 13 58.470 58.470 57.606 0.864 17827 3572 1 8 . 1 1 20 20 TYR CB C 13 39.210 39.210 36.545 2.665 17827 3573 1 8 . 1 1 20 20 TYR H H 13 8.550 8.550 8.348 0.202 17827 3574 1 8 . 1 1 21 21 ALA N N 14 124.750 124.750 123.934 0.816 17827 3575 1 8 . 1 1 21 21 ALA HA H 14 4.190 4.190 4.150 0.040 17827 3576 1 8 . 1 1 21 21 ALA C C 14 177.181 177.181 176.805 0.376 17827 3577 1 8 . 1 1 21 21 ALA CA C 14 53.530 53.530 53.369 0.161 17827 3578 1 8 . 1 1 21 21 ALA CB C 14 18.630 18.630 18.913 -0.283 17827 3579 1 8 . 1 1 21 21 ALA H H 14 8.615 8.615 7.579 1.036 17827 3580 1 8 . 1 1 22 22 ASP N N 15 117.500 117.500 123.682 -6.182 17827 3581 1 8 . 1 1 22 22 ASP HA H 15 4.480 4.480 4.574 -0.094 17827 3582 1 8 . 1 1 22 22 ASP C C 15 176.708 176.708 176.440 0.268 17827 3583 1 8 . 1 1 22 22 ASP CA C 15 53.500 53.500 53.502 -0.002 17827 3584 1 8 . 1 1 22 22 ASP CB C 15 40.730 40.730 41.196 -0.466 17827 3585 1 8 . 1 1 22 22 ASP H H 15 7.960 7.960 8.243 -0.283 17827 3586 1 8 . 1 1 23 23 GLY N N 16 108.891 108.891 109.789 -0.898 17827 3587 1 8 . 1 1 23 23 GLY C C 16 174.373 174.373 174.139 0.234 17827 3588 1 8 . 1 1 23 23 GLY CA C 16 45.370 45.370 45.789 -0.420 17827 3589 1 8 . 1 1 23 23 GLY H H 16 8.344 8.344 8.459 -0.115 17827 3590 1 8 . 1 1 24 24 THR N N 17 110.929 110.929 109.777 1.152 17827 3591 1 8 . 1 1 24 24 THR HA H 17 4.640 4.640 3.738 0.902 17827 3592 1 8 . 1 1 24 24 THR C C 17 173.620 173.620 173.775 -0.155 17827 3593 1 8 . 1 1 24 24 THR CA C 17 60.540 60.540 61.110 -0.570 17827 3594 1 8 . 1 1 24 24 THR CB C 17 72.100 72.100 70.184 1.916 17827 3595 1 8 . 1 1 24 24 THR H H 17 7.850 7.850 7.521 0.329 17827 3596 1 8 . 1 1 25 25 TRP N N 18 117.728 117.728 118.296 -0.568 17827 3597 1 8 . 1 1 25 25 TRP HA H 18 4.945 4.945 4.845 0.100 17827 3598 1 8 . 1 1 25 25 TRP C C 18 174.164 174.164 174.071 0.093 17827 3599 1 8 . 1 1 25 25 TRP CA C 18 54.620 54.620 56.557 -1.937 17827 3600 1 8 . 1 1 25 25 TRP CB C 18 30.650 30.650 30.424 0.226 17827 3601 1 8 . 1 1 25 25 TRP H H 18 8.640 8.640 7.757 0.883 17827 3602 1 8 . 1 1 26 26 GLU N N 19 117.728 117.728 119.205 -1.477 17827 3603 1 8 . 1 1 26 26 GLU HA H 19 4.851 4.851 4.835 0.016 17827 3604 1 8 . 1 1 26 26 GLU C C 19 174.786 174.786 174.527 0.259 17827 3605 1 8 . 1 1 26 26 GLU CA C 19 55.710 55.710 54.959 0.751 17827 3606 1 8 . 1 1 26 26 GLU CB C 19 31.500 31.500 32.437 -0.937 17827 3607 1 8 . 1 1 26 26 GLU H H 19 8.744 8.744 8.518 0.226 17827 3608 1 8 . 1 1 27 27 LEU N N 20 126.668 126.668 119.526 7.142 17827 3609 1 8 . 1 1 27 27 LEU HA H 20 4.880 4.880 4.726 0.154 17827 3610 1 8 . 1 1 27 27 LEU C C 20 175.123 175.123 175.288 -0.165 17827 3611 1 8 . 1 1 27 27 LEU CA C 20 53.252 53.252 53.554 -0.302 17827 3612 1 8 . 1 1 27 27 LEU CB C 20 45.280 45.280 46.787 -1.507 17827 3613 1 8 . 1 1 27 27 LEU H H 20 8.980 8.980 8.840 0.140 17827 3614 1 8 . 1 1 28 28 SER N N 21 121.804 121.804 117.425 4.379 17827 3615 1 8 . 1 1 28 28 SER HA H 21 4.894 4.894 5.076 -0.182 17827 3616 1 8 . 1 1 28 28 SER C C 21 173.483 173.483 172.842 0.641 17827 3617 1 8 . 1 1 28 28 SER CA C 21 57.880 57.880 56.750 1.130 17827 3618 1 8 . 1 1 28 28 SER CB C 21 63.920 63.920 64.580 -0.660 17827 3619 1 8 . 1 1 28 28 SER H H 21 8.785 8.785 8.591 0.194 17827 3620 1 8 . 1 1 29 29 VAL N N 22 125.881 125.881 121.719 4.162 17827 3621 1 8 . 1 1 29 29 VAL HA H 22 4.370 4.370 4.419 -0.049 17827 3622 1 8 . 1 1 29 29 VAL C C 22 173.953 173.953 174.625 -0.672 17827 3623 1 8 . 1 1 29 29 VAL CA C 22 60.440 60.440 59.849 0.591 17827 3624 1 8 . 1 1 29 29 VAL CB C 22 34.350 34.350 35.745 -1.395 17827 3625 1 8 . 1 1 29 29 VAL H H 22 8.865 8.865 8.375 0.490 17827 3626 1 8 . 1 1 30 30 HIS N N 23 126.560 126.560 123.361 3.199 17827 3627 1 8 . 1 1 30 30 HIS HA H 23 5.220 5.220 4.843 0.377 17827 3628 1 8 . 1 1 30 30 HIS C C 23 174.596 174.596 173.983 0.613 17827 3629 1 8 . 1 1 30 30 HIS CA C 23 55.250 55.250 55.637 -0.387 17827 3630 1 8 . 1 1 30 30 HIS CB C 23 30.550 30.550 32.969 -2.419 17827 3631 1 8 . 1 1 30 30 HIS H H 23 8.810 8.810 8.561 0.249 17827 3632 1 8 . 1 1 31 31 VAL N N 24 130.587 130.587 127.642 2.945 17827 3633 1 8 . 1 1 31 31 VAL HA H 24 5.230 5.230 4.581 0.649 17827 3634 1 8 . 1 1 31 31 VAL C C 24 177.426 177.426 177.028 0.398 17827 3635 1 8 . 1 1 31 31 VAL CA C 24 55.530 55.530 62.399 -6.869 17827 3636 1 8 . 1 1 31 31 VAL CB C 24 31.040 31.040 31.553 -0.513 17827 3637 1 8 . 1 1 31 31 VAL H H 24 9.043 9.043 8.715 0.328 17827 3638 1 8 . 1 1 32 32 THR N N 25 122.484 122.484 121.444 1.040 17827 3639 1 8 . 1 1 32 32 THR HA H 25 3.970 3.970 4.309 -0.339 17827 3640 1 8 . 1 1 32 32 THR C C 25 177.437 177.437 176.371 1.066 17827 3641 1 8 . 1 1 32 32 THR CA C 25 66.470 66.470 64.874 1.595 17827 3642 1 8 . 1 1 32 32 THR CB C 25 68.220 68.220 69.041 -0.821 17827 3643 1 8 . 1 1 32 32 THR H H 25 8.245 8.245 8.768 -0.523 17827 3644 1 8 . 1 1 34 34 VAL N N 27 114.090 114.090 116.118 -2.028 17827 3645 1 8 . 1 1 34 34 VAL HA H 27 4.500 4.500 4.157 0.343 17827 3646 1 8 . 1 1 34 34 VAL CA C 27 54.220 54.220 61.840 -7.620 17827 3647 1 8 . 1 1 34 34 VAL CB C 27 27.060 27.060 33.600 -6.540 17827 3648 1 8 . 1 1 34 34 VAL H H 27 6.977 6.977 7.304 -0.327 17827 3649 1 8 . 1 1 35 35 ASN N N 28 116.829 116.829 116.822 0.007 17827 3650 1 8 . 1 1 35 35 ASN HA H 28 4.299 4.299 4.524 -0.225 17827 3651 1 8 . 1 1 35 35 ASN CA C 28 53.650 53.650 54.524 -0.874 17827 3652 1 8 . 1 1 35 35 ASN CB C 28 37.110 37.110 37.964 -0.854 17827 3653 1 8 . 1 1 35 35 ASN H H 28 7.897 7.897 8.077 -0.180 17827 3654 1 8 . 1 1 36 36 ARG N N 29 114.310 114.310 117.538 -3.228 17827 3655 1 8 . 1 1 36 36 ARG HA H 29 4.700 4.700 4.718 -0.018 17827 3656 1 8 . 1 1 36 36 ARG C C 29 173.347 173.347 174.180 -0.833 17827 3657 1 8 . 1 1 36 36 ARG CA C 29 54.900 54.900 54.583 0.317 17827 3658 1 8 . 1 1 36 36 ARG CB C 29 34.700 34.700 32.802 1.898 17827 3659 1 8 . 1 1 36 36 ARG H H 29 6.787 6.787 7.658 -0.871 17827 3660 1 8 . 1 1 37 37 ASP N N 30 124.071 124.071 119.317 4.754 17827 3661 1 8 . 1 1 37 37 ASP HA H 30 5.475 5.475 4.621 0.854 17827 3662 1 8 . 1 1 37 37 ASP C C 30 175.354 175.354 174.255 1.099 17827 3663 1 8 . 1 1 37 37 ASP CA C 30 53.660 53.660 53.248 0.412 17827 3664 1 8 . 1 1 37 37 ASP CB C 30 42.260 42.260 42.940 -0.680 17827 3665 1 8 . 1 1 37 37 ASP H H 30 8.760 8.760 8.436 0.324 17827 3666 1 8 . 1 1 38 38 VAL N N 31 123.300 123.300 118.579 4.721 17827 3667 1 8 . 1 1 38 38 VAL HA H 31 4.270 4.270 4.531 -0.261 17827 3668 1 8 . 1 1 38 38 VAL C C 31 174.203 174.203 174.543 -0.340 17827 3669 1 8 . 1 1 38 38 VAL CA C 31 60.700 60.700 59.990 0.710 17827 3670 1 8 . 1 1 38 38 VAL CB C 31 34.620 34.620 36.331 -1.711 17827 3671 1 8 . 1 1 38 38 VAL H H 31 9.187 9.187 7.848 1.339 17827 3672 1 8 . 1 1 39 39 THR N N 32 119.766 119.766 113.011 6.755 17827 3673 1 8 . 1 1 39 39 THR HA H 32 5.095 5.095 4.936 0.159 17827 3674 1 8 . 1 1 39 39 THR C C 32 173.547 173.547 173.341 0.206 17827 3675 1 8 . 1 1 39 39 THR CA C 32 60.550 60.550 59.816 0.734 17827 3676 1 8 . 1 1 39 39 THR CB C 32 70.170 70.170 71.236 -1.066 17827 3677 1 8 . 1 1 39 39 THR H H 32 8.360 8.360 8.087 0.273 17827 3678 1 8 . 1 1 40 40 LEU N N 33 124.522 124.522 122.352 2.170 17827 3679 1 8 . 1 1 40 40 LEU HA H 33 4.590 4.590 4.710 -0.120 17827 3680 1 8 . 1 1 40 40 LEU C C 33 174.691 174.691 175.761 -1.070 17827 3681 1 8 . 1 1 40 40 LEU CA C 33 52.580 52.580 53.832 -1.252 17827 3682 1 8 . 1 1 40 40 LEU CB C 33 45.410 45.410 44.826 0.584 17827 3683 1 8 . 1 1 40 40 LEU H H 33 8.750 8.750 8.189 0.561 17827 3684 1 8 . 1 1 41 41 ARG N N 34 122.712 122.712 124.105 -1.393 17827 3685 1 8 . 1 1 41 41 ARG HA H 34 4.680 4.680 4.574 0.106 17827 3686 1 8 . 1 1 41 41 ARG C C 34 175.700 175.700 174.550 1.150 17827 3687 1 8 . 1 1 41 41 ARG CA C 34 55.420 55.420 55.414 0.006 17827 3688 1 8 . 1 1 41 41 ARG CB C 34 29.500 29.500 29.513 -0.013 17827 3689 1 8 . 1 1 41 41 ARG H H 34 8.345 8.345 8.741 -0.396 17827 3690 1 8 . 1 1 42 42 VAL N N 35 117.728 117.728 116.338 1.390 17827 3691 1 8 . 1 1 42 42 VAL HA H 35 4.465 4.465 4.574 -0.109 17827 3692 1 8 . 1 1 42 42 VAL C C 35 173.184 173.184 173.610 -0.426 17827 3693 1 8 . 1 1 42 42 VAL CA C 35 58.670 58.670 58.739 -0.069 17827 3694 1 8 . 1 1 42 42 VAL CB C 35 36.050 36.050 35.247 0.803 17827 3695 1 8 . 1 1 42 42 VAL H H 35 8.640 8.640 7.808 0.832 17827 3696 1 8 . 1 1 43 43 THR N N 36 104.359 104.359 108.978 -4.619 17827 3697 1 8 . 1 1 43 43 THR HA H 36 4.660 4.660 2.578 2.082 17827 3698 1 8 . 1 1 43 43 THR C C 36 174.862 174.862 175.163 -0.301 17827 3699 1 8 . 1 1 43 43 THR CA C 36 59.010 59.010 58.578 0.432 17827 3700 1 8 . 1 1 43 43 THR CB C 36 71.570 71.570 71.173 0.397 17827 3701 1 8 . 1 1 43 43 THR H H 36 6.220 6.220 7.898 -1.678 17827 3702 1 8 . 1 1 44 44 GLY N N 37 105.946 105.946 107.264 -1.318 17827 3703 1 8 . 1 1 44 44 GLY C C 37 173.394 173.394 174.539 -1.145 17827 3704 1 8 . 1 1 44 44 GLY CA C 37 46.830 46.830 46.630 0.200 17827 3705 1 8 . 1 1 44 44 GLY H H 37 9.160 9.160 8.936 0.224 17827 3706 1 8 . 1 1 45 45 GLU N N 38 113.875 113.875 117.291 -3.416 17827 3707 1 8 . 1 1 45 45 GLU HA H 38 4.290 4.290 4.231 0.059 17827 3708 1 8 . 1 1 45 45 GLU C C 38 176.167 176.167 176.315 -0.148 17827 3709 1 8 . 1 1 45 45 GLU CA C 38 55.500 55.500 55.960 -0.460 17827 3710 1 8 . 1 1 45 45 GLU CB C 38 30.950 30.950 29.818 1.132 17827 3711 1 8 . 1 1 45 45 GLU H H 38 7.500 7.500 7.272 0.228 17827 3712 1 8 . 1 1 46 46 VAL N N 39 121.577 121.577 122.571 -0.994 17827 3713 1 8 . 1 1 46 46 VAL HA H 39 3.820 3.820 3.949 -0.129 17827 3714 1 8 . 1 1 46 46 VAL C C 39 174.651 174.651 174.930 -0.279 17827 3715 1 8 . 1 1 46 46 VAL CA C 39 63.920 63.920 61.842 2.078 17827 3716 1 8 . 1 1 46 46 VAL CB C 39 31.590 31.590 32.897 -1.306 17827 3717 1 8 . 1 1 46 46 VAL H H 39 7.260 7.260 7.560 -0.300 17827 3718 1 8 . 1 1 47 47 HIS N N 40 123.391 123.391 126.580 -3.189 17827 3719 1 8 . 1 1 47 47 HIS HA H 40 5.212 5.212 4.569 0.643 17827 3720 1 8 . 1 1 47 47 HIS C C 40 177.440 177.440 176.655 0.785 17827 3721 1 8 . 1 1 47 47 HIS CA C 40 54.660 54.660 57.137 -2.477 17827 3722 1 8 . 1 1 47 47 HIS CB C 40 30.910 30.910 30.854 0.056 17827 3723 1 8 . 1 1 47 47 HIS H H 40 8.285 8.285 8.386 -0.101 17827 3724 1 8 . 1 1 48 48 ILE N N 41 124.071 124.071 124.094 -0.023 17827 3725 1 8 . 1 1 48 48 ILE HA H 41 3.530 3.530 3.823 -0.293 17827 3726 1 8 . 1 1 48 48 ILE C C 41 178.941 178.941 178.216 0.725 17827 3727 1 8 . 1 1 48 48 ILE CA C 41 62.330 62.330 65.513 -3.183 17827 3728 1 8 . 1 1 48 48 ILE CB C 41 34.230 34.230 37.831 -3.601 17827 3729 1 8 . 1 1 48 48 ILE H H 41 8.863 8.863 8.778 0.085 17827 3730 1 8 . 1 1 49 49 GLY N N 42 106.853 106.853 105.055 1.798 17827 3731 1 8 . 1 1 49 49 GLY C C 42 175.669 175.669 175.611 0.058 17827 3732 1 8 . 1 1 49 49 GLY CA C 42 45.320 45.320 46.372 -1.052 17827 3733 1 8 . 1 1 49 49 GLY H H 42 9.720 9.720 8.699 1.021 17827 3734 1 8 . 1 1 50 50 GLY N N 43 109.571 109.571 109.144 0.427 17827 3735 1 8 . 1 1 50 50 GLY C C 43 175.847 175.847 175.549 0.298 17827 3736 1 8 . 1 1 50 50 GLY CA C 43 47.000 47.000 45.704 1.296 17827 3737 1 8 . 1 1 50 50 GLY H H 43 6.950 6.950 8.239 -1.289 17827 3738 1 8 . 1 1 51 51 VAL N N 44 123.163 123.163 124.750 -1.587 17827 3739 1 8 . 1 1 51 51 VAL HA H 44 3.115 3.115 3.714 -0.599 17827 3740 1 8 . 1 1 51 51 VAL C C 44 176.804 176.804 177.996 -1.192 17827 3741 1 8 . 1 1 51 51 VAL CA C 44 66.660 66.660 66.873 -0.213 17827 3742 1 8 . 1 1 51 51 VAL CB C 44 30.730 30.730 31.891 -1.161 17827 3743 1 8 . 1 1 51 51 VAL H H 44 7.860 7.860 8.758 -0.898 17827 3744 1 8 . 1 1 52 52 MET N N 45 115.913 115.913 117.451 -1.538 17827 3745 1 8 . 1 1 52 52 MET HA H 45 3.410 3.410 4.381 -0.971 17827 3746 1 8 . 1 1 52 52 MET C C 45 176.881 176.881 178.358 -1.477 17827 3747 1 8 . 1 1 52 52 MET CA C 45 59.830 59.830 59.675 0.155 17827 3748 1 8 . 1 1 52 52 MET CB C 45 32.310 32.310 31.980 0.330 17827 3749 1 8 . 1 1 52 52 MET H H 45 7.940 7.940 7.853 0.087 17827 3750 1 8 . 1 1 53 53 LEU N N 46 118.291 118.291 121.085 -2.794 17827 3751 1 8 . 1 1 53 53 LEU HA H 46 3.940 3.940 3.995 -0.055 17827 3752 1 8 . 1 1 53 53 LEU C C 46 179.178 179.178 179.166 0.012 17827 3753 1 8 . 1 1 53 53 LEU CA C 46 58.500 58.500 57.845 0.655 17827 3754 1 8 . 1 1 53 53 LEU CB C 46 41.930 41.930 41.123 0.807 17827 3755 1 8 . 1 1 53 53 LEU H H 46 7.550 7.550 7.656 -0.106 17827 3756 1 8 . 1 1 54 54 LYS N N 47 118.142 118.142 119.012 -0.870 17827 3757 1 8 . 1 1 54 54 LYS HA H 47 3.870 3.870 4.087 -0.217 17827 3758 1 8 . 1 1 54 54 LYS C C 47 178.616 178.616 179.277 -0.661 17827 3759 1 8 . 1 1 54 54 LYS CA C 47 57.980 57.980 59.373 -1.393 17827 3760 1 8 . 1 1 54 54 LYS CB C 47 32.320 32.320 32.094 0.226 17827 3761 1 8 . 1 1 54 54 LYS H H 47 7.665 7.665 8.524 -0.859 17827 3762 1 8 . 1 1 55 55 LEU N N 48 119.385 119.385 120.384 -0.999 17827 3763 1 8 . 1 1 55 55 LEU HA H 48 3.570 3.570 4.322 -0.752 17827 3764 1 8 . 1 1 55 55 LEU C C 48 177.405 177.405 177.974 -0.569 17827 3765 1 8 . 1 1 55 55 LEU CA C 48 57.790 57.790 57.932 -0.142 17827 3766 1 8 . 1 1 55 55 LEU CB C 48 41.590 41.590 41.953 -0.363 17827 3767 1 8 . 1 1 55 55 LEU H H 48 7.975 7.975 7.689 0.286 17827 3768 1 8 . 1 1 56 56 VAL N N 49 116.141 116.141 120.981 -4.840 17827 3769 1 8 . 1 1 56 56 VAL HA H 49 2.990 2.990 3.682 -0.692 17827 3770 1 8 . 1 1 56 56 VAL C C 49 178.564 178.564 178.378 0.186 17827 3771 1 8 . 1 1 56 56 VAL CA C 49 66.310 66.310 66.689 -0.379 17827 3772 1 8 . 1 1 56 56 VAL CB C 49 31.300 31.300 31.646 -0.346 17827 3773 1 8 . 1 1 56 56 VAL H H 49 7.615 7.615 8.973 -1.358 17827 3774 1 8 . 1 1 57 57 GLU N N 50 118.631 118.631 118.474 0.157 17827 3775 1 8 . 1 1 57 57 GLU HA H 50 3.965 3.965 4.060 -0.095 17827 3776 1 8 . 1 1 57 57 GLU C C 50 178.030 178.030 178.230 -0.200 17827 3777 1 8 . 1 1 57 57 GLU CA C 50 58.500 58.500 59.090 -0.590 17827 3778 1 8 . 1 1 57 57 GLU CB C 50 29.610 29.610 29.524 0.086 17827 3779 1 8 . 1 1 57 57 GLU H H 50 7.575 7.575 8.862 -1.287 17827 3780 1 8 . 1 1 58 58 LYS N N 51 117.053 117.053 118.805 -1.752 17827 3781 1 8 . 1 1 58 58 LYS HA H 51 4.130 4.130 4.036 0.094 17827 3782 1 8 . 1 1 58 58 LYS C C 51 176.956 176.956 178.458 -1.502 17827 3783 1 8 . 1 1 58 58 LYS CA C 51 56.660 56.660 58.614 -1.954 17827 3784 1 8 . 1 1 58 58 LYS CB C 51 32.660 32.660 32.698 -0.038 17827 3785 1 8 . 1 1 58 58 LYS H H 51 7.490 7.490 7.481 0.009 17827 3786 1 8 . 1 1 59 59 LEU N N 52 119.460 119.460 118.905 0.555 17827 3787 1 8 . 1 1 59 59 LEU HA H 52 4.122 4.122 4.112 0.010 17827 3788 1 8 . 1 1 59 59 LEU C C 52 176.645 176.645 177.105 -0.460 17827 3789 1 8 . 1 1 59 59 LEU CA C 52 56.660 56.660 56.753 -0.093 17827 3790 1 8 . 1 1 59 59 LEU CB C 52 42.700 42.700 42.033 0.667 17827 3791 1 8 . 1 1 59 59 LEU H H 52 7.470 7.470 8.194 -0.724 17827 3792 1 8 . 1 1 62 62 LYS C C 55 175.670 175.670 176.146 -0.476 17827 3793 1 8 . 1 1 63 63 LYS N N 56 122.430 122.430 121.549 0.881 17827 3794 1 8 . 1 1 63 63 LYS HA H 56 4.030 4.030 4.364 -0.334 17827 3795 1 8 . 1 1 63 63 LYS C C 56 172.850 172.850 176.093 -3.243 17827 3796 1 8 . 1 1 63 63 LYS CA C 56 54.530 54.530 56.336 -1.806 17827 3797 1 8 . 1 1 63 63 LYS CB C 56 34.440 34.440 33.585 0.855 17827 3798 1 8 . 1 1 63 63 LYS H H 56 7.245 7.245 8.438 -1.193 17827 3799 1 8 . 1 1 64 64 ASP N N 57 118.867 118.867 122.244 -3.377 17827 3800 1 8 . 1 1 64 64 ASP HA H 57 4.530 4.530 4.960 -0.430 17827 3801 1 8 . 1 1 64 64 ASP C C 57 176.710 176.710 176.993 -0.283 17827 3802 1 8 . 1 1 64 64 ASP CA C 57 52.500 52.500 53.754 -1.254 17827 3803 1 8 . 1 1 64 64 ASP CB C 57 40.320 40.320 42.653 -2.333 17827 3804 1 8 . 1 1 64 64 ASP H H 57 7.867 7.867 8.626 -0.759 17827 3805 1 8 . 1 1 65 65 TRP N N 58 128.827 128.827 121.795 7.032 17827 3806 1 8 . 1 1 65 65 TRP HA H 58 4.540 4.540 4.638 -0.098 17827 3807 1 8 . 1 1 65 65 TRP C C 58 178.390 178.390 177.136 1.254 17827 3808 1 8 . 1 1 65 65 TRP CA C 58 52.860 52.860 58.892 -6.032 17827 3809 1 8 . 1 1 65 65 TRP CB C 58 29.420 29.420 28.419 1.001 17827 3810 1 8 . 1 1 65 65 TRP H H 58 8.790 8.790 7.995 0.795 17827 3811 1 8 . 1 1 66 66 SER N N 59 117.724 117.724 114.888 2.836 17827 3812 1 8 . 1 1 66 66 SER HA H 59 4.143 4.143 3.989 0.154 17827 3813 1 8 . 1 1 66 66 SER C C 59 174.471 174.471 174.948 -0.477 17827 3814 1 8 . 1 1 66 66 SER CA C 59 62.350 62.350 60.252 2.098 17827 3815 1 8 . 1 1 66 66 SER CB C 59 63.110 63.110 62.235 0.875 17827 3816 1 8 . 1 1 66 66 SER H H 59 8.637 8.637 8.150 0.487 17827 3817 1 8 . 1 1 67 67 ASP N N 60 121.042 121.042 120.503 0.539 17827 3818 1 8 . 1 1 67 67 ASP C C 60 176.206 176.206 176.708 -0.502 17827 3819 1 8 . 1 1 67 67 ASP CB C 60 42.560 42.560 41.086 1.474 17827 3820 1 8 . 1 1 67 67 ASP H H 60 8.895 8.895 7.991 0.904 17827 3821 1 8 . 1 1 68 68 HIS N N 61 121.519 121.519 116.028 5.491 17827 3822 1 8 . 1 1 68 68 HIS HA H 61 4.490 4.490 4.440 0.050 17827 3823 1 8 . 1 1 68 68 HIS C C 61 174.546 174.546 174.049 0.497 17827 3824 1 8 . 1 1 68 68 HIS CA C 61 57.940 57.940 55.691 2.249 17827 3825 1 8 . 1 1 68 68 HIS CB C 61 39.410 39.410 31.263 8.147 17827 3826 1 8 . 1 1 68 68 HIS H H 61 7.958 7.958 7.661 0.297 17827 3827 1 8 . 1 1 69 69 ALA N N 62 122.256 122.256 119.101 3.155 17827 3828 1 8 . 1 1 69 69 ALA C C 62 175.294 175.294 174.886 0.408 17827 3829 1 8 . 1 1 69 69 ALA CB C 62 22.470 22.470 22.766 -0.296 17827 3830 1 8 . 1 1 69 69 ALA H H 62 8.575 8.575 8.999 -0.424 17827 3831 1 8 . 1 1 70 70 LEU N N 63 118.904 118.904 119.815 -0.911 17827 3832 1 8 . 1 1 70 70 LEU HA H 63 5.654 5.654 4.965 0.689 17827 3833 1 8 . 1 1 70 70 LEU C C 63 174.445 174.445 176.436 -1.991 17827 3834 1 8 . 1 1 70 70 LEU CA C 63 53.930 53.930 53.141 0.789 17827 3835 1 8 . 1 1 70 70 LEU CB C 63 44.300 44.300 42.031 2.269 17827 3836 1 8 . 1 1 70 70 LEU H H 63 9.150 9.150 8.780 0.370 17827 3837 1 8 . 1 1 71 71 TRP N N 64 125.367 125.367 127.606 -2.239 17827 3838 1 8 . 1 1 71 71 TRP C C 64 174.010 174.010 175.447 -1.437 17827 3839 1 8 . 1 1 71 71 TRP CB C 64 32.210 32.210 30.674 1.536 17827 3840 1 8 . 1 1 71 71 TRP H H 64 9.590 9.590 8.491 1.099 17827 3841 1 8 . 1 1 72 72 TRP N N 65 129.982 129.982 129.670 0.312 17827 3842 1 8 . 1 1 72 72 TRP HA H 65 4.980 4.980 4.713 0.267 17827 3843 1 8 . 1 1 72 72 TRP C C 65 174.335 174.335 175.774 -1.439 17827 3844 1 8 . 1 1 72 72 TRP CA C 65 51.440 51.440 53.956 -2.516 17827 3845 1 8 . 1 1 72 72 TRP CB C 65 30.490 30.490 29.766 0.724 17827 3846 1 8 . 1 1 72 72 TRP H H 65 8.277 8.277 8.308 -0.031 17827 3847 1 8 . 1 1 73 73 GLU N N 66 129.112 129.112 126.501 2.611 17827 3848 1 8 . 1 1 73 73 GLU HA H 66 3.300 3.300 3.562 -0.262 17827 3849 1 8 . 1 1 73 73 GLU C C 66 178.595 178.595 177.568 1.027 17827 3850 1 8 . 1 1 73 73 GLU CA C 66 59.920 59.920 59.244 0.676 17827 3851 1 8 . 1 1 73 73 GLU CB C 66 29.060 29.060 28.992 0.068 17827 3852 1 8 . 1 1 73 73 GLU H H 66 8.969 8.969 8.856 0.113 17827 3853 1 8 . 1 1 74 74 LYS N N 67 117.492 117.492 120.325 -2.833 17827 3854 1 8 . 1 1 74 74 LYS HA H 67 3.702 3.702 3.762 -0.060 17827 3855 1 8 . 1 1 74 74 LYS C C 67 176.361 176.361 176.796 -0.435 17827 3856 1 8 . 1 1 74 74 LYS CA C 67 58.660 58.660 58.411 0.249 17827 3857 1 8 . 1 1 74 74 LYS CB C 67 32.020 32.020 31.435 0.585 17827 3858 1 8 . 1 1 74 74 LYS H H 67 7.860 7.860 7.941 -0.081 17827 3859 1 8 . 1 1 75 75 LYS N N 68 121.233 121.233 116.051 5.182 17827 3860 1 8 . 1 1 75 75 LYS HA H 68 3.935 3.935 4.043 -0.108 17827 3861 1 8 . 1 1 75 75 LYS C C 68 174.183 174.183 175.047 -0.864 17827 3862 1 8 . 1 1 75 75 LYS CA C 68 53.400 53.400 54.660 -1.260 17827 3863 1 8 . 1 1 75 75 LYS CB C 68 32.200 32.200 32.381 -0.181 17827 3864 1 8 . 1 1 75 75 LYS H H 68 7.500 7.500 6.790 0.710 17827 3865 1 8 . 1 1 76 76 ARG N N 69 121.125 121.125 114.732 6.393 17827 3866 1 8 . 1 1 76 76 ARG HA H 69 2.890 2.890 2.583 0.307 17827 3867 1 8 . 1 1 76 76 ARG C C 69 173.984 173.984 174.303 -0.319 17827 3868 1 8 . 1 1 76 76 ARG CA C 69 56.316 56.316 55.655 0.661 17827 3869 1 8 . 1 1 76 76 ARG CB C 69 27.090 27.090 26.007 1.083 17827 3870 1 8 . 1 1 76 76 ARG H H 69 7.500 7.500 7.536 -0.036 17827 3871 1 8 . 1 1 77 77 THR N N 70 110.478 110.478 111.969 -1.491 17827 3872 1 8 . 1 1 77 77 THR HA H 70 4.650 4.650 3.068 1.582 17827 3873 1 8 . 1 1 77 77 THR C C 70 171.846 171.846 172.070 -0.224 17827 3874 1 8 . 1 1 77 77 THR CA C 70 61.630 61.630 58.839 2.792 17827 3875 1 8 . 1 1 77 77 THR CB C 70 72.210 72.210 70.293 1.917 17827 3876 1 8 . 1 1 77 77 THR H H 70 6.280 6.280 6.713 -0.433 17827 3877 1 8 . 1 1 78 78 TRP N N 71 127.244 127.244 119.321 7.923 17827 3878 1 8 . 1 1 78 78 TRP HA H 71 4.750 4.750 5.571 -0.821 17827 3879 1 8 . 1 1 78 78 TRP C C 71 177.303 177.303 175.814 1.489 17827 3880 1 8 . 1 1 78 78 TRP CA C 71 56.240 56.240 55.538 0.703 17827 3881 1 8 . 1 1 78 78 TRP CB C 71 30.500 30.500 33.062 -2.562 17827 3882 1 8 . 1 1 78 78 TRP H H 71 8.795 8.795 8.246 0.549 17827 3883 1 8 . 1 1 79 79 LEU N N 72 125.202 125.202 122.444 2.758 17827 3884 1 8 . 1 1 79 79 LEU HA H 72 4.500 4.500 4.863 -0.363 17827 3885 1 8 . 1 1 79 79 LEU C C 72 175.667 175.667 176.554 -0.887 17827 3886 1 8 . 1 1 79 79 LEU CA C 72 52.510 52.510 54.288 -1.778 17827 3887 1 8 . 1 1 79 79 LEU CB C 72 38.240 38.240 41.262 -3.022 17827 3888 1 8 . 1 1 79 79 LEU H H 72 9.175 9.175 8.419 0.756 17827 3889 1 8 . 1 1 80 80 LEU N N 73 119.170 119.170 123.836 -4.666 17827 3890 1 8 . 1 1 80 80 LEU HA H 73 4.380 4.380 4.484 -0.104 17827 3891 1 8 . 1 1 80 80 LEU C C 73 178.139 178.139 177.077 1.062 17827 3892 1 8 . 1 1 80 80 LEU CA C 73 54.700 54.700 55.471 -0.771 17827 3893 1 8 . 1 1 80 80 LEU CB C 73 42.170 42.170 42.693 -0.523 17827 3894 1 8 . 1 1 80 80 LEU H H 73 7.280 7.280 8.496 -1.216 17827 3895 1 8 . 1 1 81 81 LYS N N 74 119.766 119.766 118.977 0.789 17827 3896 1 8 . 1 1 81 81 LYS HA H 74 4.435 4.435 4.385 0.050 17827 3897 1 8 . 1 1 81 81 LYS C C 74 176.601 176.601 176.721 -0.120 17827 3898 1 8 . 1 1 81 81 LYS CA C 74 54.660 54.660 56.703 -2.042 17827 3899 1 8 . 1 1 81 81 LYS CB C 74 28.540 28.540 33.123 -4.583 17827 3900 1 8 . 1 1 81 81 LYS H H 74 7.865 7.865 7.841 0.024 17827 3901 1 8 . 1 1 82 82 THR N N 75 115.636 115.636 114.149 1.487 17827 3902 1 8 . 1 1 82 82 THR HA H 75 3.800 3.800 4.376 -0.576 17827 3903 1 8 . 1 1 82 82 THR C C 75 174.806 174.806 175.227 -0.421 17827 3904 1 8 . 1 1 82 82 THR CA C 75 64.650 64.650 63.938 0.712 17827 3905 1 8 . 1 1 82 82 THR CB C 75 68.260 68.260 69.064 -0.804 17827 3906 1 8 . 1 1 82 82 THR H H 75 7.910 7.910 8.638 -0.728 17827 3907 1 8 . 1 1 83 83 HIS N N 76 116.767 116.767 118.537 -1.770 17827 3908 1 8 . 1 1 83 83 HIS C C 76 176.370 176.370 174.204 2.166 17827 3909 1 8 . 1 1 83 83 HIS CB C 76 30.210 30.210 29.640 0.570 17827 3910 1 8 . 1 1 83 83 HIS H H 76 8.965 8.965 8.375 0.590 17827 3911 1 8 . 1 1 84 84 TRP N N 77 123.905 123.905 118.772 5.133 17827 3912 1 8 . 1 1 84 84 TRP C C 77 175.584 175.584 175.278 0.306 17827 3913 1 8 . 1 1 84 84 TRP CB C 77 30.390 30.390 28.683 1.707 17827 3914 1 8 . 1 1 84 84 TRP H H 77 7.635 7.635 7.536 0.099 17827 3915 1 8 . 1 1 85 85 THR N N 78 108.440 108.440 114.597 -6.157 17827 3916 1 8 . 1 1 85 85 THR HA H 78 4.900 4.900 4.221 0.679 17827 3917 1 8 . 1 1 85 85 THR C C 78 175.691 175.691 176.240 -0.549 17827 3918 1 8 . 1 1 85 85 THR CA C 78 59.500 59.500 63.907 -4.407 17827 3919 1 8 . 1 1 85 85 THR CB C 78 70.600 70.600 69.807 0.793 17827 3920 1 8 . 1 1 85 85 THR H H 78 7.030 7.030 7.895 -0.865 17827 3921 1 8 . 1 1 86 86 LEU N N 79 119.766 119.766 118.806 0.960 17827 3922 1 8 . 1 1 86 86 LEU HA H 79 4.040 4.040 4.249 -0.209 17827 3923 1 8 . 1 1 86 86 LEU C C 79 179.734 179.734 178.541 1.193 17827 3924 1 8 . 1 1 86 86 LEU CA C 79 58.750 58.750 58.856 -0.106 17827 3925 1 8 . 1 1 86 86 LEU CB C 79 40.450 40.450 41.346 -0.896 17827 3926 1 8 . 1 1 86 86 LEU H H 79 8.045 8.045 8.569 -0.524 17827 3927 1 8 . 1 1 87 87 ASP N N 80 118.407 118.407 119.227 -0.820 17827 3928 1 8 . 1 1 87 87 ASP HA H 80 4.440 4.440 4.385 0.055 17827 3929 1 8 . 1 1 87 87 ASP C C 80 179.152 179.152 177.968 1.184 17827 3930 1 8 . 1 1 87 87 ASP CA C 80 57.320 57.320 56.799 0.521 17827 3931 1 8 . 1 1 87 87 ASP CB C 80 40.320 40.320 40.524 -0.204 17827 3932 1 8 . 1 1 87 87 ASP H H 80 8.935 8.935 8.806 0.129 17827 3933 1 8 . 1 1 88 88 LYS N N 81 123.300 123.300 118.728 4.572 17827 3934 1 8 . 1 1 88 88 LYS HA H 81 3.700 3.700 3.900 -0.200 17827 3935 1 8 . 1 1 88 88 LYS C C 81 178.721 178.721 178.365 0.356 17827 3936 1 8 . 1 1 88 88 LYS CA C 81 59.020 59.020 59.112 -0.092 17827 3937 1 8 . 1 1 88 88 LYS CB C 81 31.640 31.640 31.982 -0.342 17827 3938 1 8 . 1 1 88 88 LYS H H 81 8.055 8.055 7.938 0.117 17827 3939 1 8 . 1 1 89 89 TYR N N 82 115.690 115.690 116.975 -1.285 17827 3940 1 8 . 1 1 89 89 TYR HA H 82 4.580 4.580 4.621 -0.041 17827 3941 1 8 . 1 1 89 89 TYR C C 82 176.164 176.164 176.009 0.155 17827 3942 1 8 . 1 1 89 89 TYR CA C 82 61.750 61.750 60.413 1.337 17827 3943 1 8 . 1 1 89 89 TYR CB C 82 40.750 40.750 39.191 1.560 17827 3944 1 8 . 1 1 89 89 TYR H H 82 7.730 7.730 7.838 -0.108 17827 3945 1 8 . 1 1 90 90 GLY N N 83 108.212 108.212 106.309 1.903 17827 3946 1 8 . 1 1 90 90 GLY C C 83 174.555 174.555 174.421 0.134 17827 3947 1 8 . 1 1 90 90 GLY CA C 83 45.510 45.510 44.817 0.693 17827 3948 1 8 . 1 1 90 90 GLY H H 83 8.030 8.030 7.483 0.547 17827 3949 1 8 . 1 1 91 91 ILE N N 84 122.960 122.960 120.443 2.517 17827 3950 1 8 . 1 1 91 91 ILE HA H 84 3.370 3.370 4.146 -0.776 17827 3951 1 8 . 1 1 91 91 ILE C C 84 173.611 173.611 175.261 -1.650 17827 3952 1 8 . 1 1 91 91 ILE CA C 84 61.700 61.700 61.453 0.247 17827 3953 1 8 . 1 1 91 91 ILE CB C 84 37.610 37.610 38.986 -1.376 17827 3954 1 8 . 1 1 91 91 ILE H H 84 7.850 7.850 7.950 -0.100 17827 3955 1 8 . 1 1 92 92 GLN N N 85 125.429 125.429 123.307 2.122 17827 3956 1 8 . 1 1 92 92 GLN HA H 85 3.880 3.880 4.056 -0.176 17827 3957 1 8 . 1 1 92 92 GLN C C 85 174.756 174.756 175.968 -1.212 17827 3958 1 8 . 1 1 92 92 GLN CA C 85 53.720 53.720 54.867 -1.147 17827 3959 1 8 . 1 1 92 92 GLN CB C 85 31.150 31.150 30.887 0.263 17827 3960 1 8 . 1 1 92 92 GLN H H 85 7.700 7.700 8.113 -0.413 17827 3961 1 8 . 1 1 93 93 ALA N N 86 118.217 118.217 120.922 -2.705 17827 3962 1 8 . 1 1 93 93 ALA HA H 86 3.800 3.800 4.200 -0.400 17827 3963 1 8 . 1 1 93 93 ALA C C 86 177.201 177.201 177.337 -0.136 17827 3964 1 8 . 1 1 93 93 ALA CA C 86 54.080 54.080 53.216 0.864 17827 3965 1 8 . 1 1 93 93 ALA CB C 86 18.410 18.410 18.696 -0.286 17827 3966 1 8 . 1 1 93 93 ALA H H 86 6.886 6.886 8.098 -1.212 17827 3967 1 8 . 1 1 94 94 ASP N N 87 113.647 113.647 117.650 -4.003 17827 3968 1 8 . 1 1 94 94 ASP HA H 87 4.420 4.420 4.535 -0.116 17827 3969 1 8 . 1 1 94 94 ASP C C 87 176.218 176.218 175.167 1.051 17827 3970 1 8 . 1 1 94 94 ASP CA C 87 54.060 54.060 53.828 0.232 17827 3971 1 8 . 1 1 94 94 ASP CB C 87 39.600 39.600 40.826 -1.226 17827 3972 1 8 . 1 1 94 94 ASP H H 87 8.223 8.223 8.062 0.161 17827 3973 1 8 . 1 1 95 95 ALA N N 88 124.145 124.145 122.767 1.378 17827 3974 1 8 . 1 1 95 95 ALA HA H 88 4.306 4.306 4.575 -0.269 17827 3975 1 8 . 1 1 95 95 ALA C C 88 176.630 176.630 176.458 0.172 17827 3976 1 8 . 1 1 95 95 ALA CA C 88 53.320 53.320 51.623 1.697 17827 3977 1 8 . 1 1 95 95 ALA CB C 88 20.020 20.020 19.812 0.208 17827 3978 1 8 . 1 1 95 95 ALA H H 88 7.941 7.941 7.104 0.837 17827 3979 1 8 . 1 1 96 96 LYS N N 89 120.897 120.897 126.139 -5.242 17827 3980 1 8 . 1 1 96 96 LYS HA H 89 4.826 4.826 4.834 -0.008 17827 3981 1 8 . 1 1 96 96 LYS C C 89 176.161 176.161 176.205 -0.044 17827 3982 1 8 . 1 1 96 96 LYS CA C 89 54.736 54.736 55.097 -0.361 17827 3983 1 8 . 1 1 96 96 LYS CB C 89 32.390 32.390 32.414 -0.024 17827 3984 1 8 . 1 1 96 96 LYS H H 89 8.500 8.500 8.626 -0.126 17827 3985 1 8 . 1 1 97 97 LEU N N 90 122.960 122.960 125.107 -2.147 17827 3986 1 8 . 1 1 97 97 LEU HA H 90 5.075 5.075 4.280 0.795 17827 3987 1 8 . 1 1 97 97 LEU C C 90 176.394 176.394 176.758 -0.364 17827 3988 1 8 . 1 1 97 97 LEU CA C 90 53.060 53.060 54.868 -1.808 17827 3989 1 8 . 1 1 97 97 LEU CB C 90 44.850 44.850 43.057 1.793 17827 3990 1 8 . 1 1 97 97 LEU H H 90 8.566 8.566 8.734 -0.168 17827 3991 1 8 . 1 1 98 98 GLN N N 91 119.538 119.538 115.345 4.193 17827 3992 1 8 . 1 1 98 98 GLN HA H 91 5.710 5.710 4.914 0.796 17827 3993 1 8 . 1 1 98 98 GLN C C 91 174.144 174.144 174.417 -0.273 17827 3994 1 8 . 1 1 98 98 GLN CA C 91 54.360 54.360 54.421 -0.061 17827 3995 1 8 . 1 1 98 98 GLN CB C 91 32.290 32.290 32.773 -0.483 17827 3996 1 8 . 1 1 98 98 GLN H H 91 9.060 9.060 7.905 1.155 17827 3997 1 8 . 1 1 99 99 PHE N N 92 125.674 125.674 120.595 5.079 17827 3998 1 8 . 1 1 99 99 PHE HA H 92 5.700 5.700 5.427 0.273 17827 3999 1 8 . 1 1 99 99 PHE C C 92 174.537 174.537 173.928 0.609 17827 4000 1 8 . 1 1 99 99 PHE CA C 92 54.190 54.190 56.428 -2.238 17827 4001 1 8 . 1 1 99 99 PHE CB C 92 41.080 41.080 43.596 -2.517 17827 4002 1 8 . 1 1 99 99 PHE H H 92 9.290 9.290 9.735 -0.445 17827 4003 1 8 . 1 1 100 100 THR N N 93 124.543 124.543 118.441 6.102 17827 4004 1 8 . 1 1 100 100 THR HA H 93 5.100 5.100 5.071 0.029 17827 4005 1 8 . 1 1 100 100 THR C C 93 180.164 180.164 171.947 8.217 17827 4006 1 8 . 1 1 100 100 THR CA C 93 58.830 58.830 58.882 -0.052 17827 4007 1 8 . 1 1 100 100 THR CB C 93 73.610 73.610 70.865 2.745 17827 4008 1 8 . 1 1 100 100 THR H H 93 8.945 8.945 8.765 0.180 17827 4009 1 9 . 1 1 9 9 ALA N N 2 124.336 124.336 123.299 1.037 17827 4010 1 9 . 1 1 9 9 ALA HA H 2 4.210 4.210 4.461 -0.251 17827 4011 1 9 . 1 1 9 9 ALA C C 2 177.598 177.598 175.860 1.738 17827 4012 1 9 . 1 1 9 9 ALA CA C 2 52.440 52.440 51.626 0.814 17827 4013 1 9 . 1 1 9 9 ALA CB C 2 19.030 19.030 18.978 0.052 17827 4014 1 9 . 1 1 9 9 ALA H H 2 8.018 8.018 8.257 -0.239 17827 4015 1 9 . 1 1 10 10 LEU N N 3 121.125 121.125 122.365 -1.240 17827 4016 1 9 . 1 1 10 10 LEU HA H 3 4.210 4.210 4.084 0.126 17827 4017 1 9 . 1 1 10 10 LEU C C 3 177.094 177.094 177.785 -0.691 17827 4018 1 9 . 1 1 10 10 LEU CA C 3 55.320 55.320 55.747 -0.427 17827 4019 1 9 . 1 1 10 10 LEU CB C 3 42.170 42.170 42.517 -0.346 17827 4020 1 9 . 1 1 10 10 LEU H H 3 8.057 8.057 8.327 -0.270 17827 4021 1 9 . 1 1 11 11 ASP N N 4 119.766 119.766 116.405 3.361 17827 4022 1 9 . 1 1 11 11 ASP HA H 4 4.475 4.475 4.353 0.122 17827 4023 1 9 . 1 1 11 11 ASP C C 4 176.509 176.509 175.819 0.690 17827 4024 1 9 . 1 1 11 11 ASP CA C 4 54.550 54.550 55.466 -0.916 17827 4025 1 9 . 1 1 11 11 ASP CB C 4 40.950 40.950 40.561 0.389 17827 4026 1 9 . 1 1 11 11 ASP H H 4 8.145 8.145 8.560 -0.415 17827 4027 1 9 . 1 1 12 12 GLY N N 5 108.440 108.440 103.499 4.941 17827 4028 1 9 . 1 1 12 12 GLY C C 5 173.692 173.692 174.899 -1.207 17827 4029 1 9 . 1 1 12 12 GLY CA C 5 45.310 45.310 44.217 1.093 17827 4030 1 9 . 1 1 12 12 GLY H H 5 8.110 8.110 7.876 0.234 17827 4031 1 9 . 1 1 13 13 ILE N N 6 119.766 119.766 120.071 -0.305 17827 4032 1 9 . 1 1 13 13 ILE HA H 6 4.100 4.100 3.680 0.420 17827 4033 1 9 . 1 1 13 13 ILE C C 6 175.525 175.525 176.584 -1.059 17827 4034 1 9 . 1 1 13 13 ILE CA C 6 60.710 60.710 63.738 -3.028 17827 4035 1 9 . 1 1 13 13 ILE CB C 6 38.430 38.430 38.200 0.230 17827 4036 1 9 . 1 1 13 13 ILE H H 6 7.790 7.790 7.894 -0.104 17827 4037 1 9 . 1 1 14 14 ARG N N 7 125.657 125.657 118.845 6.812 17827 4038 1 9 . 1 1 14 14 ARG HA H 7 4.210 4.210 4.360 -0.150 17827 4039 1 9 . 1 1 14 14 ARG C C 7 175.810 175.810 175.105 0.705 17827 4040 1 9 . 1 1 14 14 ARG CA C 7 55.640 55.640 56.600 -0.960 17827 4041 1 9 . 1 1 14 14 ARG CB C 7 30.990 30.990 31.442 -0.452 17827 4042 1 9 . 1 1 14 14 ARG H H 7 8.410 8.410 8.088 0.322 17827 4043 1 9 . 1 1 15 15 MET N N 8 123.598 123.598 115.785 7.813 17827 4044 1 9 . 1 1 15 15 MET HA H 8 4.210 4.210 5.157 -0.947 17827 4045 1 9 . 1 1 15 15 MET C C 8 174.950 174.950 174.097 0.853 17827 4046 1 9 . 1 1 15 15 MET CA C 8 55.330 55.330 53.468 1.862 17827 4047 1 9 . 1 1 15 15 MET CB C 8 31.730 31.730 33.767 -2.037 17827 4048 1 9 . 1 1 15 15 MET H H 8 8.495 8.495 7.732 0.763 17827 4049 1 9 . 1 1 16 16 PRO HA H 9 4.290 4.290 4.327 -0.037 17827 4050 1 9 . 1 1 16 16 PRO C C 9 176.228 176.228 175.936 0.292 17827 4051 1 9 . 1 1 16 16 PRO CA C 9 63.370 63.370 64.278 -0.908 17827 4052 1 9 . 1 1 16 16 PRO CB C 9 31.820 31.820 30.776 1.044 17827 4053 1 9 . 1 1 17 17 ASP N N 10 117.952 117.952 117.715 0.237 17827 4054 1 9 . 1 1 17 17 ASP HA H 10 4.420 4.420 4.579 -0.159 17827 4055 1 9 . 1 1 17 17 ASP C C 10 176.714 176.714 176.782 -0.068 17827 4056 1 9 . 1 1 17 17 ASP CA C 10 54.130 54.130 54.441 -0.311 17827 4057 1 9 . 1 1 17 17 ASP CB C 10 40.430 40.430 40.310 0.120 17827 4058 1 9 . 1 1 17 17 ASP H H 10 8.076 8.076 8.355 -0.279 17827 4059 1 9 . 1 1 18 18 GLY N N 11 108.663 108.663 104.973 3.690 17827 4060 1 9 . 1 1 18 18 GLY C C 11 173.819 173.819 174.978 -1.159 17827 4061 1 9 . 1 1 18 18 GLY CA C 11 45.300 45.300 45.297 0.003 17827 4062 1 9 . 1 1 18 18 GLY H H 11 8.255 8.255 7.657 0.598 17827 4063 1 9 . 1 1 19 19 CYS N N 12 118.179 118.179 121.194 -3.015 17827 4064 1 9 . 1 1 19 19 CYS HA H 12 4.550 4.550 4.403 0.147 17827 4065 1 9 . 1 1 19 19 CYS C C 12 174.073 174.073 175.296 -1.223 17827 4066 1 9 . 1 1 19 19 CYS CA C 12 58.420 58.420 60.532 -2.112 17827 4067 1 9 . 1 1 19 19 CYS CB C 12 28.400 28.400 27.281 1.119 17827 4068 1 9 . 1 1 19 19 CYS H H 12 7.850 7.850 8.299 -0.449 17827 4069 1 9 . 1 1 20 20 TYR N N 13 120.897 120.897 119.010 1.887 17827 4070 1 9 . 1 1 20 20 TYR HA H 13 4.550 4.550 4.444 0.106 17827 4071 1 9 . 1 1 20 20 TYR C C 13 176.748 176.748 176.287 0.461 17827 4072 1 9 . 1 1 20 20 TYR CA C 13 58.470 58.470 58.286 0.184 17827 4073 1 9 . 1 1 20 20 TYR CB C 13 39.210 39.210 38.577 0.633 17827 4074 1 9 . 1 1 20 20 TYR H H 13 8.550 8.550 7.903 0.647 17827 4075 1 9 . 1 1 21 21 ALA N N 14 124.750 124.750 122.773 1.977 17827 4076 1 9 . 1 1 21 21 ALA HA H 14 4.190 4.190 4.389 -0.199 17827 4077 1 9 . 1 1 21 21 ALA C C 14 177.181 177.181 178.060 -0.879 17827 4078 1 9 . 1 1 21 21 ALA CA C 14 53.530 53.530 52.864 0.666 17827 4079 1 9 . 1 1 21 21 ALA CB C 14 18.630 18.630 19.295 -0.665 17827 4080 1 9 . 1 1 21 21 ALA H H 14 8.615 8.615 8.549 0.066 17827 4081 1 9 . 1 1 22 22 ASP N N 15 117.500 117.500 120.120 -2.620 17827 4082 1 9 . 1 1 22 22 ASP HA H 15 4.480 4.480 4.611 -0.131 17827 4083 1 9 . 1 1 22 22 ASP C C 15 176.708 176.708 177.004 -0.296 17827 4084 1 9 . 1 1 22 22 ASP CA C 15 53.500 53.500 54.734 -1.234 17827 4085 1 9 . 1 1 22 22 ASP CB C 15 40.730 40.730 41.298 -0.568 17827 4086 1 9 . 1 1 22 22 ASP H H 15 7.960 7.960 8.656 -0.696 17827 4087 1 9 . 1 1 23 23 GLY N N 16 108.891 108.891 108.878 0.013 17827 4088 1 9 . 1 1 23 23 GLY C C 16 174.373 174.373 174.404 -0.031 17827 4089 1 9 . 1 1 23 23 GLY CA C 16 45.370 45.370 45.597 -0.227 17827 4090 1 9 . 1 1 23 23 GLY H H 16 8.344 8.344 8.182 0.162 17827 4091 1 9 . 1 1 24 24 THR N N 17 110.929 110.929 111.107 -0.178 17827 4092 1 9 . 1 1 24 24 THR HA H 17 4.640 4.640 4.386 0.254 17827 4093 1 9 . 1 1 24 24 THR C C 17 173.620 173.620 174.011 -0.391 17827 4094 1 9 . 1 1 24 24 THR CA C 17 60.540 60.540 61.068 -0.528 17827 4095 1 9 . 1 1 24 24 THR CB C 17 72.100 72.100 69.851 2.249 17827 4096 1 9 . 1 1 24 24 THR H H 17 7.850 7.850 7.525 0.325 17827 4097 1 9 . 1 1 25 25 TRP N N 18 117.728 117.728 118.034 -0.306 17827 4098 1 9 . 1 1 25 25 TRP HA H 18 4.945 4.945 4.903 0.042 17827 4099 1 9 . 1 1 25 25 TRP C C 18 174.164 174.164 174.095 0.069 17827 4100 1 9 . 1 1 25 25 TRP CA C 18 54.620 54.620 56.192 -1.572 17827 4101 1 9 . 1 1 25 25 TRP CB C 18 30.650 30.650 30.026 0.624 17827 4102 1 9 . 1 1 25 25 TRP H H 18 8.640 8.640 7.379 1.261 17827 4103 1 9 . 1 1 26 26 GLU N N 19 117.728 117.728 118.582 -0.854 17827 4104 1 9 . 1 1 26 26 GLU HA H 19 4.851 4.851 4.848 0.003 17827 4105 1 9 . 1 1 26 26 GLU C C 19 174.786 174.786 174.574 0.212 17827 4106 1 9 . 1 1 26 26 GLU CA C 19 55.710 55.710 54.791 0.919 17827 4107 1 9 . 1 1 26 26 GLU CB C 19 31.500 31.500 32.450 -0.950 17827 4108 1 9 . 1 1 26 26 GLU H H 19 8.744 8.744 8.494 0.250 17827 4109 1 9 . 1 1 27 27 LEU N N 20 126.668 126.668 119.186 7.482 17827 4110 1 9 . 1 1 27 27 LEU HA H 20 4.880 4.880 4.744 0.136 17827 4111 1 9 . 1 1 27 27 LEU C C 20 175.123 175.123 175.310 -0.187 17827 4112 1 9 . 1 1 27 27 LEU CA C 20 53.252 53.252 53.509 -0.257 17827 4113 1 9 . 1 1 27 27 LEU CB C 20 45.280 45.280 46.565 -1.285 17827 4114 1 9 . 1 1 27 27 LEU H H 20 8.980 8.980 8.782 0.198 17827 4115 1 9 . 1 1 28 28 SER N N 21 121.804 121.804 117.200 4.604 17827 4116 1 9 . 1 1 28 28 SER HA H 21 4.894 4.894 5.106 -0.212 17827 4117 1 9 . 1 1 28 28 SER C C 21 173.483 173.483 173.045 0.438 17827 4118 1 9 . 1 1 28 28 SER CA C 21 57.880 57.880 57.274 0.606 17827 4119 1 9 . 1 1 28 28 SER CB C 21 63.920 63.920 65.105 -1.185 17827 4120 1 9 . 1 1 28 28 SER H H 21 8.785 8.785 8.568 0.217 17827 4121 1 9 . 1 1 29 29 VAL N N 22 125.881 125.881 122.111 3.770 17827 4122 1 9 . 1 1 29 29 VAL HA H 22 4.370 4.370 4.441 -0.071 17827 4123 1 9 . 1 1 29 29 VAL C C 22 173.953 173.953 174.707 -0.754 17827 4124 1 9 . 1 1 29 29 VAL CA C 22 60.440 60.440 59.648 0.792 17827 4125 1 9 . 1 1 29 29 VAL CB C 22 34.350 34.350 35.705 -1.355 17827 4126 1 9 . 1 1 29 29 VAL H H 22 8.865 8.865 8.450 0.415 17827 4127 1 9 . 1 1 30 30 HIS N N 23 126.560 126.560 123.392 3.168 17827 4128 1 9 . 1 1 30 30 HIS HA H 23 5.220 5.220 4.822 0.398 17827 4129 1 9 . 1 1 30 30 HIS C C 23 174.596 174.596 174.037 0.559 17827 4130 1 9 . 1 1 30 30 HIS CA C 23 55.250 55.250 55.622 -0.372 17827 4131 1 9 . 1 1 30 30 HIS CB C 23 30.550 30.550 33.022 -2.472 17827 4132 1 9 . 1 1 30 30 HIS H H 23 8.810 8.810 8.549 0.261 17827 4133 1 9 . 1 1 31 31 VAL N N 24 130.587 130.587 127.988 2.599 17827 4134 1 9 . 1 1 31 31 VAL HA H 24 5.230 5.230 4.587 0.643 17827 4135 1 9 . 1 1 31 31 VAL C C 24 177.426 177.426 176.980 0.446 17827 4136 1 9 . 1 1 31 31 VAL CA C 24 55.530 55.530 62.500 -6.970 17827 4137 1 9 . 1 1 31 31 VAL CB C 24 31.040 31.040 31.656 -0.616 17827 4138 1 9 . 1 1 31 31 VAL H H 24 9.043 9.043 8.610 0.433 17827 4139 1 9 . 1 1 32 32 THR N N 25 122.484 122.484 121.169 1.315 17827 4140 1 9 . 1 1 32 32 THR HA H 25 3.970 3.970 4.281 -0.311 17827 4141 1 9 . 1 1 32 32 THR C C 25 177.437 177.437 176.523 0.914 17827 4142 1 9 . 1 1 32 32 THR CA C 25 66.470 66.470 65.086 1.384 17827 4143 1 9 . 1 1 32 32 THR CB C 25 68.220 68.220 69.196 -0.976 17827 4144 1 9 . 1 1 32 32 THR H H 25 8.245 8.245 8.686 -0.441 17827 4145 1 9 . 1 1 34 34 VAL N N 27 114.090 114.090 116.255 -2.165 17827 4146 1 9 . 1 1 34 34 VAL HA H 27 4.500 4.500 4.170 0.330 17827 4147 1 9 . 1 1 34 34 VAL CA C 27 54.220 54.220 62.337 -8.117 17827 4148 1 9 . 1 1 34 34 VAL CB C 27 27.060 27.060 33.525 -6.465 17827 4149 1 9 . 1 1 34 34 VAL H H 27 6.977 6.977 7.353 -0.376 17827 4150 1 9 . 1 1 35 35 ASN N N 28 116.829 116.829 116.040 0.789 17827 4151 1 9 . 1 1 35 35 ASN HA H 28 4.299 4.299 4.448 -0.149 17827 4152 1 9 . 1 1 35 35 ASN CA C 28 53.650 53.650 54.420 -0.770 17827 4153 1 9 . 1 1 35 35 ASN CB C 28 37.110 37.110 37.236 -0.126 17827 4154 1 9 . 1 1 35 35 ASN H H 28 7.897 7.897 7.999 -0.102 17827 4155 1 9 . 1 1 36 36 ARG N N 29 114.310 114.310 117.799 -3.489 17827 4156 1 9 . 1 1 36 36 ARG HA H 29 4.700 4.700 4.650 0.050 17827 4157 1 9 . 1 1 36 36 ARG C C 29 173.347 173.347 173.988 -0.641 17827 4158 1 9 . 1 1 36 36 ARG CA C 29 54.900 54.900 54.600 0.300 17827 4159 1 9 . 1 1 36 36 ARG CB C 29 34.700 34.700 32.235 2.465 17827 4160 1 9 . 1 1 36 36 ARG H H 29 6.787 6.787 7.598 -0.811 17827 4161 1 9 . 1 1 37 37 ASP N N 30 124.071 124.071 117.846 6.225 17827 4162 1 9 . 1 1 37 37 ASP HA H 30 5.475 5.475 4.578 0.897 17827 4163 1 9 . 1 1 37 37 ASP C C 30 175.354 175.354 174.512 0.842 17827 4164 1 9 . 1 1 37 37 ASP CA C 30 53.660 53.660 53.290 0.370 17827 4165 1 9 . 1 1 37 37 ASP CB C 30 42.260 42.260 42.865 -0.605 17827 4166 1 9 . 1 1 37 37 ASP H H 30 8.760 8.760 8.387 0.373 17827 4167 1 9 . 1 1 38 38 VAL N N 31 123.300 123.300 118.262 5.038 17827 4168 1 9 . 1 1 38 38 VAL HA H 31 4.270 4.270 4.496 -0.226 17827 4169 1 9 . 1 1 38 38 VAL C C 31 174.203 174.203 174.367 -0.164 17827 4170 1 9 . 1 1 38 38 VAL CA C 31 60.700 60.700 59.686 1.014 17827 4171 1 9 . 1 1 38 38 VAL CB C 31 34.620 34.620 36.247 -1.627 17827 4172 1 9 . 1 1 38 38 VAL H H 31 9.187 9.187 7.907 1.280 17827 4173 1 9 . 1 1 39 39 THR N N 32 119.766 119.766 113.581 6.185 17827 4174 1 9 . 1 1 39 39 THR HA H 32 5.095 5.095 4.897 0.198 17827 4175 1 9 . 1 1 39 39 THR C C 32 173.547 173.547 173.078 0.469 17827 4176 1 9 . 1 1 39 39 THR CA C 32 60.550 60.550 60.102 0.448 17827 4177 1 9 . 1 1 39 39 THR CB C 32 70.170 70.170 71.189 -1.019 17827 4178 1 9 . 1 1 39 39 THR H H 32 8.360 8.360 8.131 0.229 17827 4179 1 9 . 1 1 40 40 LEU N N 33 124.522 124.522 122.175 2.347 17827 4180 1 9 . 1 1 40 40 LEU HA H 33 4.590 4.590 4.572 0.018 17827 4181 1 9 . 1 1 40 40 LEU C C 33 174.691 174.691 175.829 -1.138 17827 4182 1 9 . 1 1 40 40 LEU CA C 33 52.580 52.580 53.425 -0.845 17827 4183 1 9 . 1 1 40 40 LEU CB C 33 45.410 45.410 44.390 1.020 17827 4184 1 9 . 1 1 40 40 LEU H H 33 8.750 8.750 8.131 0.619 17827 4185 1 9 . 1 1 41 41 ARG N N 34 122.712 122.712 124.678 -1.966 17827 4186 1 9 . 1 1 41 41 ARG HA H 34 4.680 4.680 4.743 -0.063 17827 4187 1 9 . 1 1 41 41 ARG C C 34 175.700 175.700 174.729 0.971 17827 4188 1 9 . 1 1 41 41 ARG CA C 34 55.420 55.420 54.979 0.441 17827 4189 1 9 . 1 1 41 41 ARG CB C 34 29.500 29.500 29.496 0.004 17827 4190 1 9 . 1 1 41 41 ARG H H 34 8.345 8.345 8.819 -0.474 17827 4191 1 9 . 1 1 42 42 VAL N N 35 117.728 117.728 118.345 -0.617 17827 4192 1 9 . 1 1 42 42 VAL HA H 35 4.465 4.465 4.624 -0.159 17827 4193 1 9 . 1 1 42 42 VAL C C 35 173.184 173.184 173.724 -0.540 17827 4194 1 9 . 1 1 42 42 VAL CA C 35 58.670 58.670 59.106 -0.436 17827 4195 1 9 . 1 1 42 42 VAL CB C 35 36.050 36.050 35.241 0.809 17827 4196 1 9 . 1 1 42 42 VAL H H 35 8.640 8.640 7.796 0.844 17827 4197 1 9 . 1 1 43 43 THR N N 36 104.359 104.359 109.206 -4.847 17827 4198 1 9 . 1 1 43 43 THR HA H 36 4.660 4.660 2.410 2.250 17827 4199 1 9 . 1 1 43 43 THR C C 36 174.862 174.862 175.342 -0.480 17827 4200 1 9 . 1 1 43 43 THR CA C 36 59.010 59.010 59.401 -0.391 17827 4201 1 9 . 1 1 43 43 THR CB C 36 71.570 71.570 71.234 0.336 17827 4202 1 9 . 1 1 43 43 THR H H 36 6.220 6.220 7.959 -1.739 17827 4203 1 9 . 1 1 44 44 GLY N N 37 105.946 105.946 107.373 -1.427 17827 4204 1 9 . 1 1 44 44 GLY C C 37 173.394 173.394 174.580 -1.186 17827 4205 1 9 . 1 1 44 44 GLY CA C 37 46.830 46.830 47.194 -0.364 17827 4206 1 9 . 1 1 44 44 GLY H H 37 9.160 9.160 8.633 0.527 17827 4207 1 9 . 1 1 45 45 GLU N N 38 113.875 113.875 117.025 -3.150 17827 4208 1 9 . 1 1 45 45 GLU HA H 38 4.290 4.290 4.233 0.057 17827 4209 1 9 . 1 1 45 45 GLU C C 38 176.167 176.167 176.383 -0.216 17827 4210 1 9 . 1 1 45 45 GLU CA C 38 55.500 55.500 56.047 -0.547 17827 4211 1 9 . 1 1 45 45 GLU CB C 38 30.950 30.950 29.883 1.067 17827 4212 1 9 . 1 1 45 45 GLU H H 38 7.500 7.500 7.173 0.327 17827 4213 1 9 . 1 1 46 46 VAL N N 39 121.577 121.577 122.796 -1.219 17827 4214 1 9 . 1 1 46 46 VAL HA H 39 3.820 3.820 3.891 -0.071 17827 4215 1 9 . 1 1 46 46 VAL C C 39 174.651 174.651 175.154 -0.503 17827 4216 1 9 . 1 1 46 46 VAL CA C 39 63.920 63.920 62.205 1.715 17827 4217 1 9 . 1 1 46 46 VAL CB C 39 31.590 31.590 32.747 -1.157 17827 4218 1 9 . 1 1 46 46 VAL H H 39 7.260 7.260 7.683 -0.423 17827 4219 1 9 . 1 1 47 47 HIS N N 40 123.391 123.391 126.186 -2.795 17827 4220 1 9 . 1 1 47 47 HIS HA H 40 5.212 5.212 4.535 0.677 17827 4221 1 9 . 1 1 47 47 HIS C C 40 177.440 177.440 176.525 0.915 17827 4222 1 9 . 1 1 47 47 HIS CA C 40 54.660 54.660 56.665 -2.005 17827 4223 1 9 . 1 1 47 47 HIS CB C 40 30.910 30.910 30.992 -0.082 17827 4224 1 9 . 1 1 47 47 HIS H H 40 8.285 8.285 8.280 0.005 17827 4225 1 9 . 1 1 48 48 ILE N N 41 124.071 124.071 124.073 -0.002 17827 4226 1 9 . 1 1 48 48 ILE HA H 41 3.530 3.530 3.794 -0.264 17827 4227 1 9 . 1 1 48 48 ILE C C 41 178.941 178.941 178.134 0.807 17827 4228 1 9 . 1 1 48 48 ILE CA C 41 62.330 62.330 65.313 -2.983 17827 4229 1 9 . 1 1 48 48 ILE CB C 41 34.230 34.230 37.815 -3.585 17827 4230 1 9 . 1 1 48 48 ILE H H 41 8.863 8.863 8.719 0.144 17827 4231 1 9 . 1 1 49 49 GLY N N 42 106.853 106.853 105.036 1.817 17827 4232 1 9 . 1 1 49 49 GLY C C 42 175.669 175.669 175.175 0.494 17827 4233 1 9 . 1 1 49 49 GLY CA C 42 45.320 45.320 46.233 -0.913 17827 4234 1 9 . 1 1 49 49 GLY H H 42 9.720 9.720 8.635 1.085 17827 4235 1 9 . 1 1 50 50 GLY N N 43 109.571 109.571 108.581 0.990 17827 4236 1 9 . 1 1 50 50 GLY C C 43 175.847 175.847 175.305 0.542 17827 4237 1 9 . 1 1 50 50 GLY CA C 43 47.000 47.000 45.254 1.746 17827 4238 1 9 . 1 1 50 50 GLY H H 43 6.950 6.950 8.187 -1.237 17827 4239 1 9 . 1 1 51 51 VAL N N 44 123.163 123.163 124.656 -1.493 17827 4240 1 9 . 1 1 51 51 VAL HA H 44 3.115 3.115 3.580 -0.465 17827 4241 1 9 . 1 1 51 51 VAL C C 44 176.804 176.804 177.794 -0.990 17827 4242 1 9 . 1 1 51 51 VAL CA C 44 66.660 66.660 67.077 -0.417 17827 4243 1 9 . 1 1 51 51 VAL CB C 44 30.730 30.730 32.105 -1.375 17827 4244 1 9 . 1 1 51 51 VAL H H 44 7.860 7.860 8.576 -0.716 17827 4245 1 9 . 1 1 52 52 MET N N 45 115.913 115.913 117.628 -1.715 17827 4246 1 9 . 1 1 52 52 MET HA H 45 3.410 3.410 4.421 -1.011 17827 4247 1 9 . 1 1 52 52 MET C C 45 176.881 176.881 177.987 -1.106 17827 4248 1 9 . 1 1 52 52 MET CA C 45 59.830 59.830 59.564 0.266 17827 4249 1 9 . 1 1 52 52 MET CB C 45 32.310 32.310 32.243 0.067 17827 4250 1 9 . 1 1 52 52 MET H H 45 7.940 7.940 7.823 0.117 17827 4251 1 9 . 1 1 53 53 LEU N N 46 118.291 118.291 121.987 -3.696 17827 4252 1 9 . 1 1 53 53 LEU HA H 46 3.940 3.940 3.735 0.205 17827 4253 1 9 . 1 1 53 53 LEU C C 46 179.178 179.178 179.044 0.134 17827 4254 1 9 . 1 1 53 53 LEU CA C 46 58.500 58.500 57.825 0.675 17827 4255 1 9 . 1 1 53 53 LEU CB C 46 41.930 41.930 40.920 1.010 17827 4256 1 9 . 1 1 53 53 LEU H H 46 7.550 7.550 7.556 -0.006 17827 4257 1 9 . 1 1 54 54 LYS N N 47 118.142 118.142 119.500 -1.358 17827 4258 1 9 . 1 1 54 54 LYS HA H 47 3.870 3.870 3.939 -0.069 17827 4259 1 9 . 1 1 54 54 LYS C C 47 178.616 178.616 179.065 -0.449 17827 4260 1 9 . 1 1 54 54 LYS CA C 47 57.980 57.980 59.386 -1.406 17827 4261 1 9 . 1 1 54 54 LYS CB C 47 32.320 32.320 32.027 0.293 17827 4262 1 9 . 1 1 54 54 LYS H H 47 7.665 7.665 8.546 -0.881 17827 4263 1 9 . 1 1 55 55 LEU N N 48 119.385 119.385 120.121 -0.736 17827 4264 1 9 . 1 1 55 55 LEU HA H 48 3.570 3.570 4.241 -0.671 17827 4265 1 9 . 1 1 55 55 LEU C C 48 177.405 177.405 177.816 -0.411 17827 4266 1 9 . 1 1 55 55 LEU CA C 48 57.790 57.790 57.712 0.078 17827 4267 1 9 . 1 1 55 55 LEU CB C 48 41.590 41.590 42.053 -0.464 17827 4268 1 9 . 1 1 55 55 LEU H H 48 7.975 7.975 7.484 0.491 17827 4269 1 9 . 1 1 56 56 VAL N N 49 116.141 116.141 120.086 -3.945 17827 4270 1 9 . 1 1 56 56 VAL HA H 49 2.990 2.990 3.513 -0.523 17827 4271 1 9 . 1 1 56 56 VAL C C 49 178.564 178.564 178.644 -0.080 17827 4272 1 9 . 1 1 56 56 VAL CA C 49 66.310 66.310 67.000 -0.690 17827 4273 1 9 . 1 1 56 56 VAL CB C 49 31.300 31.300 31.078 0.222 17827 4274 1 9 . 1 1 56 56 VAL H H 49 7.615 7.615 8.744 -1.129 17827 4275 1 9 . 1 1 57 57 GLU N N 50 118.631 118.631 118.192 0.439 17827 4276 1 9 . 1 1 57 57 GLU HA H 50 3.965 3.965 3.997 -0.032 17827 4277 1 9 . 1 1 57 57 GLU C C 50 178.030 178.030 177.935 0.095 17827 4278 1 9 . 1 1 57 57 GLU CA C 50 58.500 58.500 58.866 -0.366 17827 4279 1 9 . 1 1 57 57 GLU CB C 50 29.610 29.610 29.525 0.085 17827 4280 1 9 . 1 1 57 57 GLU H H 50 7.575 7.575 8.639 -1.064 17827 4281 1 9 . 1 1 58 58 LYS N N 51 117.053 117.053 117.574 -0.521 17827 4282 1 9 . 1 1 58 58 LYS HA H 51 4.130 4.130 4.052 0.078 17827 4283 1 9 . 1 1 58 58 LYS C C 51 176.956 176.956 177.896 -0.940 17827 4284 1 9 . 1 1 58 58 LYS CA C 51 56.660 56.660 58.508 -1.848 17827 4285 1 9 . 1 1 58 58 LYS CB C 51 32.660 32.660 33.054 -0.394 17827 4286 1 9 . 1 1 58 58 LYS H H 51 7.490 7.490 7.418 0.072 17827 4287 1 9 . 1 1 59 59 LEU N N 52 119.460 119.460 120.577 -1.117 17827 4288 1 9 . 1 1 59 59 LEU HA H 52 4.122 4.122 4.285 -0.163 17827 4289 1 9 . 1 1 59 59 LEU C C 52 176.645 176.645 175.519 1.126 17827 4290 1 9 . 1 1 59 59 LEU CA C 52 56.660 56.660 54.136 2.524 17827 4291 1 9 . 1 1 59 59 LEU CB C 52 42.700 42.700 41.309 1.391 17827 4292 1 9 . 1 1 59 59 LEU H H 52 7.470 7.470 7.862 -0.392 17827 4293 1 9 . 1 1 62 62 LYS C C 55 175.670 175.670 175.749 -0.079 17827 4294 1 9 . 1 1 63 63 LYS N N 56 122.430 122.430 119.356 3.074 17827 4295 1 9 . 1 1 63 63 LYS HA H 56 4.030 4.030 4.381 -0.351 17827 4296 1 9 . 1 1 63 63 LYS C C 56 172.850 172.850 175.901 -3.051 17827 4297 1 9 . 1 1 63 63 LYS CA C 56 54.530 54.530 56.359 -1.829 17827 4298 1 9 . 1 1 63 63 LYS CB C 56 34.440 34.440 33.756 0.684 17827 4299 1 9 . 1 1 63 63 LYS H H 56 7.245 7.245 8.239 -0.994 17827 4300 1 9 . 1 1 64 64 ASP N N 57 118.867 118.867 119.065 -0.198 17827 4301 1 9 . 1 1 64 64 ASP HA H 57 4.530 4.530 4.875 -0.345 17827 4302 1 9 . 1 1 64 64 ASP C C 57 176.710 176.710 177.520 -0.810 17827 4303 1 9 . 1 1 64 64 ASP CA C 57 52.500 52.500 54.578 -2.078 17827 4304 1 9 . 1 1 64 64 ASP CB C 57 40.320 40.320 41.891 -1.571 17827 4305 1 9 . 1 1 64 64 ASP H H 57 7.867 7.867 8.637 -0.770 17827 4306 1 9 . 1 1 65 65 TRP N N 58 128.827 128.827 122.544 6.283 17827 4307 1 9 . 1 1 65 65 TRP HA H 58 4.540 4.540 4.870 -0.330 17827 4308 1 9 . 1 1 65 65 TRP C C 58 178.390 178.390 176.897 1.493 17827 4309 1 9 . 1 1 65 65 TRP CA C 58 52.860 52.860 58.687 -5.827 17827 4310 1 9 . 1 1 65 65 TRP CB C 58 29.420 29.420 29.569 -0.149 17827 4311 1 9 . 1 1 65 65 TRP H H 58 8.790 8.790 8.276 0.514 17827 4312 1 9 . 1 1 66 66 SER N N 59 117.724 117.724 113.652 4.072 17827 4313 1 9 . 1 1 66 66 SER HA H 59 4.143 4.143 4.228 -0.085 17827 4314 1 9 . 1 1 66 66 SER C C 59 174.471 174.471 175.021 -0.550 17827 4315 1 9 . 1 1 66 66 SER CA C 59 62.350 62.350 59.497 2.853 17827 4316 1 9 . 1 1 66 66 SER CB C 59 63.110 63.110 63.059 0.051 17827 4317 1 9 . 1 1 66 66 SER H H 59 8.637 8.637 8.074 0.563 17827 4318 1 9 . 1 1 67 67 ASP N N 60 121.042 121.042 120.607 0.435 17827 4319 1 9 . 1 1 67 67 ASP C C 60 176.206 176.206 176.595 -0.389 17827 4320 1 9 . 1 1 67 67 ASP CB C 60 42.560 42.560 40.955 1.605 17827 4321 1 9 . 1 1 67 67 ASP H H 60 8.895 8.895 8.471 0.424 17827 4322 1 9 . 1 1 68 68 HIS N N 61 121.519 121.519 113.601 7.918 17827 4323 1 9 . 1 1 68 68 HIS HA H 61 4.490 4.490 4.769 -0.279 17827 4324 1 9 . 1 1 68 68 HIS C C 61 174.546 174.546 173.752 0.794 17827 4325 1 9 . 1 1 68 68 HIS CA C 61 57.940 57.940 55.264 2.676 17827 4326 1 9 . 1 1 68 68 HIS CB C 61 39.410 39.410 31.624 7.786 17827 4327 1 9 . 1 1 68 68 HIS H H 61 7.958 7.958 7.645 0.313 17827 4328 1 9 . 1 1 69 69 ALA N N 62 122.256 122.256 118.685 3.571 17827 4329 1 9 . 1 1 69 69 ALA C C 62 175.294 175.294 174.870 0.424 17827 4330 1 9 . 1 1 69 69 ALA CB C 62 22.470 22.470 22.331 0.139 17827 4331 1 9 . 1 1 69 69 ALA H H 62 8.575 8.575 7.939 0.636 17827 4332 1 9 . 1 1 70 70 LEU N N 63 118.904 118.904 119.870 -0.966 17827 4333 1 9 . 1 1 70 70 LEU HA H 63 5.654 5.654 4.894 0.760 17827 4334 1 9 . 1 1 70 70 LEU C C 63 174.445 174.445 176.423 -1.978 17827 4335 1 9 . 1 1 70 70 LEU CA C 63 53.930 53.930 53.005 0.924 17827 4336 1 9 . 1 1 70 70 LEU CB C 63 44.300 44.300 42.418 1.882 17827 4337 1 9 . 1 1 70 70 LEU H H 63 9.150 9.150 8.655 0.495 17827 4338 1 9 . 1 1 71 71 TRP N N 64 125.367 125.367 126.705 -1.338 17827 4339 1 9 . 1 1 71 71 TRP C C 64 174.010 174.010 175.347 -1.337 17827 4340 1 9 . 1 1 71 71 TRP CB C 64 32.210 32.210 30.726 1.484 17827 4341 1 9 . 1 1 71 71 TRP H H 64 9.590 9.590 8.435 1.155 17827 4342 1 9 . 1 1 72 72 TRP N N 65 129.982 129.982 128.916 1.066 17827 4343 1 9 . 1 1 72 72 TRP HA H 65 4.980 4.980 4.731 0.249 17827 4344 1 9 . 1 1 72 72 TRP C C 65 174.335 174.335 176.337 -2.002 17827 4345 1 9 . 1 1 72 72 TRP CA C 65 51.440 51.440 54.102 -2.662 17827 4346 1 9 . 1 1 72 72 TRP CB C 65 30.490 30.490 29.889 0.601 17827 4347 1 9 . 1 1 72 72 TRP H H 65 8.277 8.277 8.944 -0.667 17827 4348 1 9 . 1 1 73 73 GLU N N 66 129.112 129.112 128.227 0.885 17827 4349 1 9 . 1 1 73 73 GLU HA H 66 3.300 3.300 3.904 -0.604 17827 4350 1 9 . 1 1 73 73 GLU C C 66 178.595 178.595 176.656 1.939 17827 4351 1 9 . 1 1 73 73 GLU CA C 66 59.920 59.920 58.473 1.447 17827 4352 1 9 . 1 1 73 73 GLU CB C 66 29.060 29.060 29.070 -0.010 17827 4353 1 9 . 1 1 73 73 GLU H H 66 8.969 8.969 8.427 0.542 17827 4354 1 9 . 1 1 74 74 LYS N N 67 117.492 117.492 119.291 -1.799 17827 4355 1 9 . 1 1 74 74 LYS HA H 67 3.702 3.702 3.902 -0.200 17827 4356 1 9 . 1 1 74 74 LYS C C 67 176.361 176.361 177.515 -1.154 17827 4357 1 9 . 1 1 74 74 LYS CA C 67 58.660 58.660 58.762 -0.102 17827 4358 1 9 . 1 1 74 74 LYS CB C 67 32.020 32.020 31.946 0.074 17827 4359 1 9 . 1 1 74 74 LYS H H 67 7.860 7.860 8.339 -0.479 17827 4360 1 9 . 1 1 75 75 LYS N N 68 121.233 121.233 116.198 5.035 17827 4361 1 9 . 1 1 75 75 LYS HA H 68 3.935 3.935 4.099 -0.164 17827 4362 1 9 . 1 1 75 75 LYS C C 68 174.183 174.183 176.000 -1.817 17827 4363 1 9 . 1 1 75 75 LYS CA C 68 53.400 53.400 55.465 -2.065 17827 4364 1 9 . 1 1 75 75 LYS CB C 68 32.200 32.200 32.355 -0.155 17827 4365 1 9 . 1 1 75 75 LYS H H 68 7.500 7.500 7.346 0.154 17827 4366 1 9 . 1 1 76 76 ARG N N 69 121.125 121.125 116.521 4.604 17827 4367 1 9 . 1 1 76 76 ARG HA H 69 2.890 2.890 4.020 -1.130 17827 4368 1 9 . 1 1 76 76 ARG C C 69 173.984 173.984 176.194 -2.210 17827 4369 1 9 . 1 1 76 76 ARG CA C 69 56.316 56.316 57.343 -1.026 17827 4370 1 9 . 1 1 76 76 ARG CB C 69 27.090 27.090 26.922 0.168 17827 4371 1 9 . 1 1 76 76 ARG H H 69 7.500 7.500 8.217 -0.717 17827 4372 1 9 . 1 1 77 77 THR N N 70 110.478 110.478 112.294 -1.816 17827 4373 1 9 . 1 1 77 77 THR HA H 70 4.650 4.650 4.445 0.205 17827 4374 1 9 . 1 1 77 77 THR C C 70 171.846 171.846 172.129 -0.283 17827 4375 1 9 . 1 1 77 77 THR CA C 70 61.630 61.630 59.789 1.841 17827 4376 1 9 . 1 1 77 77 THR CB C 70 72.210 72.210 70.791 1.419 17827 4377 1 9 . 1 1 77 77 THR H H 70 6.280 6.280 7.432 -1.152 17827 4378 1 9 . 1 1 78 78 TRP N N 71 127.244 127.244 119.108 8.136 17827 4379 1 9 . 1 1 78 78 TRP HA H 71 4.750 4.750 5.522 -0.772 17827 4380 1 9 . 1 1 78 78 TRP C C 71 177.303 177.303 175.786 1.517 17827 4381 1 9 . 1 1 78 78 TRP CA C 71 56.240 56.240 55.028 1.212 17827 4382 1 9 . 1 1 78 78 TRP CB C 71 30.500 30.500 32.060 -1.560 17827 4383 1 9 . 1 1 78 78 TRP H H 71 8.795 8.795 8.258 0.537 17827 4384 1 9 . 1 1 79 79 LEU N N 72 125.202 125.202 122.610 2.592 17827 4385 1 9 . 1 1 79 79 LEU HA H 72 4.500 4.500 4.781 -0.281 17827 4386 1 9 . 1 1 79 79 LEU C C 72 175.667 175.667 176.406 -0.739 17827 4387 1 9 . 1 1 79 79 LEU CA C 72 52.510 52.510 54.310 -1.800 17827 4388 1 9 . 1 1 79 79 LEU CB C 72 38.240 38.240 41.869 -3.629 17827 4389 1 9 . 1 1 79 79 LEU H H 72 9.175 9.175 8.262 0.913 17827 4390 1 9 . 1 1 80 80 LEU N N 73 119.170 119.170 124.348 -5.178 17827 4391 1 9 . 1 1 80 80 LEU HA H 73 4.380 4.380 4.491 -0.111 17827 4392 1 9 . 1 1 80 80 LEU C C 73 178.139 178.139 176.587 1.552 17827 4393 1 9 . 1 1 80 80 LEU CA C 73 54.700 54.700 55.005 -0.305 17827 4394 1 9 . 1 1 80 80 LEU CB C 73 42.170 42.170 42.344 -0.174 17827 4395 1 9 . 1 1 80 80 LEU H H 73 7.280 7.280 8.642 -1.362 17827 4396 1 9 . 1 1 81 81 LYS N N 74 119.766 119.766 118.518 1.248 17827 4397 1 9 . 1 1 81 81 LYS HA H 74 4.435 4.435 4.292 0.143 17827 4398 1 9 . 1 1 81 81 LYS C C 74 176.601 176.601 177.415 -0.814 17827 4399 1 9 . 1 1 81 81 LYS CA C 74 54.660 54.660 56.701 -2.041 17827 4400 1 9 . 1 1 81 81 LYS CB C 74 28.540 28.540 33.206 -4.667 17827 4401 1 9 . 1 1 81 81 LYS H H 74 7.865 7.865 7.892 -0.027 17827 4402 1 9 . 1 1 82 82 THR N N 75 115.636 115.636 114.590 1.046 17827 4403 1 9 . 1 1 82 82 THR HA H 75 3.800 3.800 4.408 -0.608 17827 4404 1 9 . 1 1 82 82 THR C C 75 174.806 174.806 175.682 -0.876 17827 4405 1 9 . 1 1 82 82 THR CA C 75 64.650 64.650 64.597 0.053 17827 4406 1 9 . 1 1 82 82 THR CB C 75 68.260 68.260 68.743 -0.483 17827 4407 1 9 . 1 1 82 82 THR H H 75 7.910 7.910 8.738 -0.828 17827 4408 1 9 . 1 1 83 83 HIS N N 76 116.767 116.767 119.733 -2.966 17827 4409 1 9 . 1 1 83 83 HIS C C 76 176.370 176.370 174.898 1.472 17827 4410 1 9 . 1 1 83 83 HIS CB C 76 30.210 30.210 29.631 0.579 17827 4411 1 9 . 1 1 83 83 HIS H H 76 8.965 8.965 8.602 0.363 17827 4412 1 9 . 1 1 84 84 TRP N N 77 123.905 123.905 118.132 5.773 17827 4413 1 9 . 1 1 84 84 TRP C C 77 175.584 175.584 175.283 0.301 17827 4414 1 9 . 1 1 84 84 TRP CB C 77 30.390 30.390 28.284 2.106 17827 4415 1 9 . 1 1 84 84 TRP H H 77 7.635 7.635 7.603 0.032 17827 4416 1 9 . 1 1 85 85 THR N N 78 108.440 108.440 113.870 -5.430 17827 4417 1 9 . 1 1 85 85 THR HA H 78 4.900 4.900 4.162 0.738 17827 4418 1 9 . 1 1 85 85 THR C C 78 175.691 175.691 176.214 -0.523 17827 4419 1 9 . 1 1 85 85 THR CA C 78 59.500 59.500 63.461 -3.961 17827 4420 1 9 . 1 1 85 85 THR CB C 78 70.600 70.600 69.718 0.882 17827 4421 1 9 . 1 1 85 85 THR H H 78 7.030 7.030 7.591 -0.561 17827 4422 1 9 . 1 1 86 86 LEU N N 79 119.766 119.766 120.647 -0.881 17827 4423 1 9 . 1 1 86 86 LEU HA H 79 4.040 4.040 4.008 0.032 17827 4424 1 9 . 1 1 86 86 LEU C C 79 179.734 179.734 179.090 0.644 17827 4425 1 9 . 1 1 86 86 LEU CA C 79 58.750 58.750 59.263 -0.513 17827 4426 1 9 . 1 1 86 86 LEU CB C 79 40.450 40.450 40.656 -0.206 17827 4427 1 9 . 1 1 86 86 LEU H H 79 8.045 8.045 8.692 -0.647 17827 4428 1 9 . 1 1 87 87 ASP N N 80 118.407 118.407 119.983 -1.576 17827 4429 1 9 . 1 1 87 87 ASP HA H 80 4.440 4.440 4.361 0.079 17827 4430 1 9 . 1 1 87 87 ASP C C 80 179.152 179.152 178.639 0.513 17827 4431 1 9 . 1 1 87 87 ASP CA C 80 57.320 57.320 56.980 0.340 17827 4432 1 9 . 1 1 87 87 ASP CB C 80 40.320 40.320 40.294 0.027 17827 4433 1 9 . 1 1 87 87 ASP H H 80 8.935 8.935 8.785 0.150 17827 4434 1 9 . 1 1 88 88 LYS N N 81 123.300 123.300 119.835 3.465 17827 4435 1 9 . 1 1 88 88 LYS HA H 81 3.700 3.700 3.840 -0.140 17827 4436 1 9 . 1 1 88 88 LYS C C 81 178.721 178.721 178.020 0.701 17827 4437 1 9 . 1 1 88 88 LYS CA C 81 59.020 59.020 58.849 0.171 17827 4438 1 9 . 1 1 88 88 LYS CB C 81 31.640 31.640 31.796 -0.156 17827 4439 1 9 . 1 1 88 88 LYS H H 81 8.055 8.055 8.299 -0.244 17827 4440 1 9 . 1 1 89 89 TYR N N 82 115.690 115.690 116.918 -1.228 17827 4441 1 9 . 1 1 89 89 TYR HA H 82 4.580 4.580 4.683 -0.103 17827 4442 1 9 . 1 1 89 89 TYR C C 82 176.164 176.164 175.981 0.183 17827 4443 1 9 . 1 1 89 89 TYR CA C 82 61.750 61.750 59.465 2.285 17827 4444 1 9 . 1 1 89 89 TYR CB C 82 40.750 40.750 39.465 1.285 17827 4445 1 9 . 1 1 89 89 TYR H H 82 7.730 7.730 7.720 0.010 17827 4446 1 9 . 1 1 90 90 GLY N N 83 108.212 108.212 106.577 1.635 17827 4447 1 9 . 1 1 90 90 GLY C C 83 174.555 174.555 174.505 0.050 17827 4448 1 9 . 1 1 90 90 GLY CA C 83 45.510 45.510 44.864 0.646 17827 4449 1 9 . 1 1 90 90 GLY H H 83 8.030 8.030 8.022 0.008 17827 4450 1 9 . 1 1 91 91 ILE N N 84 122.960 122.960 120.676 2.284 17827 4451 1 9 . 1 1 91 91 ILE HA H 84 3.370 3.370 4.207 -0.837 17827 4452 1 9 . 1 1 91 91 ILE C C 84 173.611 173.611 174.976 -1.365 17827 4453 1 9 . 1 1 91 91 ILE CA C 84 61.700 61.700 61.323 0.377 17827 4454 1 9 . 1 1 91 91 ILE CB C 84 37.610 37.610 39.170 -1.560 17827 4455 1 9 . 1 1 91 91 ILE H H 84 7.850 7.850 7.880 -0.030 17827 4456 1 9 . 1 1 92 92 GLN N N 85 125.429 125.429 124.414 1.015 17827 4457 1 9 . 1 1 92 92 GLN HA H 85 3.880 3.880 3.775 0.105 17827 4458 1 9 . 1 1 92 92 GLN C C 85 174.756 174.756 175.085 -0.329 17827 4459 1 9 . 1 1 92 92 GLN CA C 85 53.720 53.720 54.728 -1.008 17827 4460 1 9 . 1 1 92 92 GLN CB C 85 31.150 31.150 30.880 0.270 17827 4461 1 9 . 1 1 92 92 GLN H H 85 7.700 7.700 8.125 -0.425 17827 4462 1 9 . 1 1 93 93 ALA N N 86 118.217 118.217 121.060 -2.843 17827 4463 1 9 . 1 1 93 93 ALA HA H 86 3.800 3.800 4.281 -0.481 17827 4464 1 9 . 1 1 93 93 ALA C C 86 177.201 177.201 177.345 -0.144 17827 4465 1 9 . 1 1 93 93 ALA CA C 86 54.080 54.080 53.525 0.555 17827 4466 1 9 . 1 1 93 93 ALA CB C 86 18.410 18.410 18.651 -0.241 17827 4467 1 9 . 1 1 93 93 ALA H H 86 6.886 6.886 8.074 -1.188 17827 4468 1 9 . 1 1 94 94 ASP N N 87 113.647 113.647 116.433 -2.786 17827 4469 1 9 . 1 1 94 94 ASP HA H 87 4.420 4.420 4.520 -0.100 17827 4470 1 9 . 1 1 94 94 ASP C C 87 176.218 176.218 175.143 1.075 17827 4471 1 9 . 1 1 94 94 ASP CA C 87 54.060 54.060 53.700 0.360 17827 4472 1 9 . 1 1 94 94 ASP CB C 87 39.600 39.600 40.984 -1.384 17827 4473 1 9 . 1 1 94 94 ASP H H 87 8.223 8.223 8.052 0.171 17827 4474 1 9 . 1 1 95 95 ALA N N 88 124.145 124.145 122.572 1.573 17827 4475 1 9 . 1 1 95 95 ALA HA H 88 4.306 4.306 4.568 -0.262 17827 4476 1 9 . 1 1 95 95 ALA C C 88 176.630 176.630 176.339 0.291 17827 4477 1 9 . 1 1 95 95 ALA CA C 88 53.320 53.320 51.556 1.764 17827 4478 1 9 . 1 1 95 95 ALA CB C 88 20.020 20.020 19.563 0.457 17827 4479 1 9 . 1 1 95 95 ALA H H 88 7.941 7.941 7.026 0.915 17827 4480 1 9 . 1 1 96 96 LYS N N 89 120.897 120.897 126.213 -5.316 17827 4481 1 9 . 1 1 96 96 LYS HA H 89 4.826 4.826 4.695 0.131 17827 4482 1 9 . 1 1 96 96 LYS C C 89 176.161 176.161 176.167 -0.006 17827 4483 1 9 . 1 1 96 96 LYS CA C 89 54.736 54.736 55.199 -0.463 17827 4484 1 9 . 1 1 96 96 LYS CB C 89 32.390 32.390 32.435 -0.045 17827 4485 1 9 . 1 1 96 96 LYS H H 89 8.500 8.500 8.568 -0.068 17827 4486 1 9 . 1 1 97 97 LEU N N 90 122.960 122.960 124.331 -1.371 17827 4487 1 9 . 1 1 97 97 LEU HA H 90 5.075 5.075 4.417 0.658 17827 4488 1 9 . 1 1 97 97 LEU C C 90 176.394 176.394 177.185 -0.791 17827 4489 1 9 . 1 1 97 97 LEU CA C 90 53.060 53.060 54.626 -1.566 17827 4490 1 9 . 1 1 97 97 LEU CB C 90 44.850 44.850 43.072 1.778 17827 4491 1 9 . 1 1 97 97 LEU H H 90 8.566 8.566 8.865 -0.299 17827 4492 1 9 . 1 1 98 98 GLN N N 91 119.538 119.538 115.922 3.616 17827 4493 1 9 . 1 1 98 98 GLN HA H 91 5.710 5.710 4.877 0.833 17827 4494 1 9 . 1 1 98 98 GLN C C 91 174.144 174.144 174.535 -0.391 17827 4495 1 9 . 1 1 98 98 GLN CA C 91 54.360 54.360 54.619 -0.259 17827 4496 1 9 . 1 1 98 98 GLN CB C 91 32.290 32.290 32.940 -0.650 17827 4497 1 9 . 1 1 98 98 GLN H H 91 9.060 9.060 8.087 0.973 17827 4498 1 9 . 1 1 99 99 PHE N N 92 125.674 125.674 120.403 5.271 17827 4499 1 9 . 1 1 99 99 PHE HA H 92 5.700 5.700 5.259 0.441 17827 4500 1 9 . 1 1 99 99 PHE C C 92 174.537 174.537 174.090 0.447 17827 4501 1 9 . 1 1 99 99 PHE CA C 92 54.190 54.190 56.588 -2.398 17827 4502 1 9 . 1 1 99 99 PHE CB C 92 41.080 41.080 43.830 -2.750 17827 4503 1 9 . 1 1 99 99 PHE H H 92 9.290 9.290 9.715 -0.425 17827 4504 1 9 . 1 1 100 100 THR N N 93 124.543 124.543 119.789 4.754 17827 4505 1 9 . 1 1 100 100 THR HA H 93 5.100 5.100 5.054 0.046 17827 4506 1 9 . 1 1 100 100 THR C C 93 180.164 180.164 172.521 7.643 17827 4507 1 9 . 1 1 100 100 THR CA C 93 58.830 58.830 59.516 -0.686 17827 4508 1 9 . 1 1 100 100 THR CB C 93 73.610 73.610 70.513 3.096 17827 4509 1 9 . 1 1 100 100 THR H H 93 8.945 8.945 8.823 0.122 17827 4510 1 10 . 1 1 9 9 ALA N N 2 124.336 124.336 122.417 1.919 17827 4511 1 10 . 1 1 9 9 ALA HA H 2 4.210 4.210 4.685 -0.475 17827 4512 1 10 . 1 1 9 9 ALA C C 2 177.598 177.598 175.691 1.907 17827 4513 1 10 . 1 1 9 9 ALA CA C 2 52.440 52.440 51.646 0.794 17827 4514 1 10 . 1 1 9 9 ALA CB C 2 19.030 19.030 19.157 -0.127 17827 4515 1 10 . 1 1 9 9 ALA H H 2 8.018 8.018 8.560 -0.542 17827 4516 1 10 . 1 1 10 10 LEU N N 3 121.125 121.125 119.283 1.842 17827 4517 1 10 . 1 1 10 10 LEU HA H 3 4.210 4.210 4.496 -0.286 17827 4518 1 10 . 1 1 10 10 LEU C C 3 177.094 177.094 176.983 0.111 17827 4519 1 10 . 1 1 10 10 LEU CA C 3 55.320 55.320 55.823 -0.503 17827 4520 1 10 . 1 1 10 10 LEU CB C 3 42.170 42.170 41.978 0.192 17827 4521 1 10 . 1 1 10 10 LEU H H 3 8.057 8.057 8.356 -0.299 17827 4522 1 10 . 1 1 11 11 ASP N N 4 119.766 119.766 119.133 0.633 17827 4523 1 10 . 1 1 11 11 ASP HA H 4 4.475 4.475 4.641 -0.166 17827 4524 1 10 . 1 1 11 11 ASP C C 4 176.509 176.509 178.059 -1.550 17827 4525 1 10 . 1 1 11 11 ASP CA C 4 54.550 54.550 54.257 0.293 17827 4526 1 10 . 1 1 11 11 ASP CB C 4 40.950 40.950 40.710 0.240 17827 4527 1 10 . 1 1 11 11 ASP H H 4 8.145 8.145 8.133 0.012 17827 4528 1 10 . 1 1 12 12 GLY N N 5 108.440 108.440 110.466 -2.026 17827 4529 1 10 . 1 1 12 12 GLY C C 5 173.692 173.692 176.067 -2.375 17827 4530 1 10 . 1 1 12 12 GLY CA C 5 45.310 45.310 46.793 -1.483 17827 4531 1 10 . 1 1 12 12 GLY H H 5 8.110 8.110 8.729 -0.619 17827 4532 1 10 . 1 1 13 13 ILE N N 6 119.766 119.766 120.501 -0.735 17827 4533 1 10 . 1 1 13 13 ILE HA H 6 4.100 4.100 3.716 0.384 17827 4534 1 10 . 1 1 13 13 ILE C C 6 175.525 175.525 177.704 -2.179 17827 4535 1 10 . 1 1 13 13 ILE CA C 6 60.710 60.710 63.234 -2.524 17827 4536 1 10 . 1 1 13 13 ILE CB C 6 38.430 38.430 37.372 1.058 17827 4537 1 10 . 1 1 13 13 ILE H H 6 7.790 7.790 7.864 -0.074 17827 4538 1 10 . 1 1 14 14 ARG N N 7 125.657 125.657 119.845 5.812 17827 4539 1 10 . 1 1 14 14 ARG HA H 7 4.210 4.210 4.176 0.034 17827 4540 1 10 . 1 1 14 14 ARG C C 7 175.810 175.810 176.283 -0.473 17827 4541 1 10 . 1 1 14 14 ARG CA C 7 55.640 55.640 57.937 -2.297 17827 4542 1 10 . 1 1 14 14 ARG CB C 7 30.990 30.990 30.932 0.058 17827 4543 1 10 . 1 1 14 14 ARG H H 7 8.410 8.410 8.043 0.367 17827 4544 1 10 . 1 1 15 15 MET N N 8 123.598 123.598 114.820 8.778 17827 4545 1 10 . 1 1 15 15 MET HA H 8 4.210 4.210 4.968 -0.758 17827 4546 1 10 . 1 1 15 15 MET C C 8 174.950 174.950 174.395 0.555 17827 4547 1 10 . 1 1 15 15 MET CA C 8 55.330 55.330 53.146 2.184 17827 4548 1 10 . 1 1 15 15 MET CB C 8 31.730 31.730 31.971 -0.241 17827 4549 1 10 . 1 1 15 15 MET H H 8 8.495 8.495 7.686 0.809 17827 4550 1 10 . 1 1 16 16 PRO HA H 9 4.290 4.290 4.307 -0.017 17827 4551 1 10 . 1 1 16 16 PRO C C 9 176.228 176.228 176.479 -0.251 17827 4552 1 10 . 1 1 16 16 PRO CA C 9 63.370 63.370 64.554 -1.184 17827 4553 1 10 . 1 1 16 16 PRO CB C 9 31.820 31.820 31.011 0.809 17827 4554 1 10 . 1 1 17 17 ASP N N 10 117.952 117.952 116.787 1.165 17827 4555 1 10 . 1 1 17 17 ASP HA H 10 4.420 4.420 4.716 -0.296 17827 4556 1 10 . 1 1 17 17 ASP C C 10 176.714 176.714 176.658 0.056 17827 4557 1 10 . 1 1 17 17 ASP CA C 10 54.130 54.130 54.656 -0.526 17827 4558 1 10 . 1 1 17 17 ASP CB C 10 40.430 40.430 40.536 -0.106 17827 4559 1 10 . 1 1 17 17 ASP H H 10 8.076 8.076 8.027 0.049 17827 4560 1 10 . 1 1 18 18 GLY N N 11 108.663 108.663 105.861 2.802 17827 4561 1 10 . 1 1 18 18 GLY C C 11 173.819 173.819 174.114 -0.295 17827 4562 1 10 . 1 1 18 18 GLY CA C 11 45.300 45.300 45.155 0.145 17827 4563 1 10 . 1 1 18 18 GLY H H 11 8.255 8.255 7.690 0.565 17827 4564 1 10 . 1 1 19 19 CYS N N 12 118.179 118.179 119.008 -0.829 17827 4565 1 10 . 1 1 19 19 CYS HA H 12 4.550 4.550 4.175 0.375 17827 4566 1 10 . 1 1 19 19 CYS C C 12 174.073 174.073 174.279 -0.206 17827 4567 1 10 . 1 1 19 19 CYS CA C 12 58.420 58.420 61.505 -3.085 17827 4568 1 10 . 1 1 19 19 CYS CB C 12 28.400 28.400 28.650 -0.250 17827 4569 1 10 . 1 1 19 19 CYS H H 12 7.850 7.850 8.103 -0.253 17827 4570 1 10 . 1 1 20 20 TYR N N 13 120.897 120.897 120.418 0.479 17827 4571 1 10 . 1 1 20 20 TYR HA H 13 4.550 4.550 4.435 0.115 17827 4572 1 10 . 1 1 20 20 TYR C C 13 176.748 176.748 174.718 2.030 17827 4573 1 10 . 1 1 20 20 TYR CA C 13 58.470 58.470 59.680 -1.210 17827 4574 1 10 . 1 1 20 20 TYR CB C 13 39.210 39.210 39.097 0.113 17827 4575 1 10 . 1 1 20 20 TYR H H 13 8.550 8.550 8.146 0.404 17827 4576 1 10 . 1 1 21 21 ALA N N 14 124.750 124.750 126.614 -1.864 17827 4577 1 10 . 1 1 21 21 ALA HA H 14 4.190 4.190 4.395 -0.205 17827 4578 1 10 . 1 1 21 21 ALA C C 14 177.181 177.181 175.924 1.257 17827 4579 1 10 . 1 1 21 21 ALA CA C 14 53.530 53.530 52.468 1.062 17827 4580 1 10 . 1 1 21 21 ALA CB C 14 18.630 18.630 20.242 -1.612 17827 4581 1 10 . 1 1 21 21 ALA H H 14 8.615 8.615 8.391 0.224 17827 4582 1 10 . 1 1 22 22 ASP N N 15 117.500 117.500 122.644 -5.144 17827 4583 1 10 . 1 1 22 22 ASP HA H 15 4.480 4.480 4.242 0.238 17827 4584 1 10 . 1 1 22 22 ASP C C 15 176.708 176.708 177.423 -0.715 17827 4585 1 10 . 1 1 22 22 ASP CA C 15 53.500 53.500 55.011 -1.511 17827 4586 1 10 . 1 1 22 22 ASP CB C 15 40.730 40.730 40.389 0.341 17827 4587 1 10 . 1 1 22 22 ASP H H 15 7.960 7.960 8.269 -0.309 17827 4588 1 10 . 1 1 23 23 GLY N N 16 108.891 108.891 107.215 1.676 17827 4589 1 10 . 1 1 23 23 GLY C C 16 174.373 174.373 173.709 0.664 17827 4590 1 10 . 1 1 23 23 GLY CA C 16 45.370 45.370 45.822 -0.452 17827 4591 1 10 . 1 1 23 23 GLY H H 16 8.344 8.344 8.503 -0.159 17827 4592 1 10 . 1 1 24 24 THR N N 17 110.929 110.929 110.575 0.354 17827 4593 1 10 . 1 1 24 24 THR HA H 17 4.640 4.640 4.599 0.041 17827 4594 1 10 . 1 1 24 24 THR C C 17 173.620 173.620 173.230 0.390 17827 4595 1 10 . 1 1 24 24 THR CA C 17 60.540 60.540 60.413 0.127 17827 4596 1 10 . 1 1 24 24 THR CB C 17 72.100 72.100 70.601 1.499 17827 4597 1 10 . 1 1 24 24 THR H H 17 7.850 7.850 7.318 0.532 17827 4598 1 10 . 1 1 25 25 TRP N N 18 117.728 117.728 116.593 1.135 17827 4599 1 10 . 1 1 25 25 TRP HA H 18 4.945 4.945 4.993 -0.048 17827 4600 1 10 . 1 1 25 25 TRP C C 18 174.164 174.164 173.849 0.315 17827 4601 1 10 . 1 1 25 25 TRP CA C 18 54.620 54.620 56.321 -1.701 17827 4602 1 10 . 1 1 25 25 TRP CB C 18 30.650 30.650 29.987 0.663 17827 4603 1 10 . 1 1 25 25 TRP H H 18 8.640 8.640 7.414 1.226 17827 4604 1 10 . 1 1 26 26 GLU N N 19 117.728 117.728 118.446 -0.718 17827 4605 1 10 . 1 1 26 26 GLU HA H 19 4.851 4.851 4.830 0.021 17827 4606 1 10 . 1 1 26 26 GLU C C 19 174.786 174.786 174.540 0.246 17827 4607 1 10 . 1 1 26 26 GLU CA C 19 55.710 55.710 54.773 0.938 17827 4608 1 10 . 1 1 26 26 GLU CB C 19 31.500 31.500 32.479 -0.979 17827 4609 1 10 . 1 1 26 26 GLU H H 19 8.744 8.744 8.500 0.244 17827 4610 1 10 . 1 1 27 27 LEU N N 20 126.668 126.668 119.521 7.147 17827 4611 1 10 . 1 1 27 27 LEU HA H 20 4.880 4.880 4.734 0.146 17827 4612 1 10 . 1 1 27 27 LEU C C 20 175.123 175.123 175.346 -0.223 17827 4613 1 10 . 1 1 27 27 LEU CA C 20 53.252 53.252 53.463 -0.211 17827 4614 1 10 . 1 1 27 27 LEU CB C 20 45.280 45.280 46.781 -1.501 17827 4615 1 10 . 1 1 27 27 LEU H H 20 8.980 8.980 8.800 0.180 17827 4616 1 10 . 1 1 28 28 SER N N 21 121.804 121.804 117.113 4.691 17827 4617 1 10 . 1 1 28 28 SER HA H 21 4.894 4.894 4.829 0.065 17827 4618 1 10 . 1 1 28 28 SER C C 21 173.483 173.483 172.887 0.596 17827 4619 1 10 . 1 1 28 28 SER CA C 21 57.880 57.880 56.776 1.104 17827 4620 1 10 . 1 1 28 28 SER CB C 21 63.920 63.920 64.320 -0.400 17827 4621 1 10 . 1 1 28 28 SER H H 21 8.785 8.785 8.392 0.393 17827 4622 1 10 . 1 1 29 29 VAL N N 22 125.881 125.881 121.997 3.884 17827 4623 1 10 . 1 1 29 29 VAL HA H 22 4.370 4.370 4.388 -0.018 17827 4624 1 10 . 1 1 29 29 VAL C C 22 173.953 173.953 174.488 -0.535 17827 4625 1 10 . 1 1 29 29 VAL CA C 22 60.440 60.440 60.277 0.163 17827 4626 1 10 . 1 1 29 29 VAL CB C 22 34.350 34.350 35.114 -0.764 17827 4627 1 10 . 1 1 29 29 VAL H H 22 8.865 8.865 8.401 0.464 17827 4628 1 10 . 1 1 30 30 HIS N N 23 126.560 126.560 123.872 2.688 17827 4629 1 10 . 1 1 30 30 HIS HA H 23 5.220 5.220 4.848 0.372 17827 4630 1 10 . 1 1 30 30 HIS C C 23 174.596 174.596 174.196 0.400 17827 4631 1 10 . 1 1 30 30 HIS CA C 23 55.250 55.250 55.443 -0.193 17827 4632 1 10 . 1 1 30 30 HIS CB C 23 30.550 30.550 32.818 -2.268 17827 4633 1 10 . 1 1 30 30 HIS H H 23 8.810 8.810 8.571 0.239 17827 4634 1 10 . 1 1 31 31 VAL N N 24 130.587 130.587 127.886 2.701 17827 4635 1 10 . 1 1 31 31 VAL HA H 24 5.230 5.230 4.592 0.638 17827 4636 1 10 . 1 1 31 31 VAL C C 24 177.426 177.426 176.783 0.643 17827 4637 1 10 . 1 1 31 31 VAL CA C 24 55.530 55.530 62.879 -7.349 17827 4638 1 10 . 1 1 31 31 VAL CB C 24 31.040 31.040 31.129 -0.089 17827 4639 1 10 . 1 1 31 31 VAL H H 24 9.043 9.043 8.678 0.365 17827 4640 1 10 . 1 1 32 32 THR N N 25 122.484 122.484 122.884 -0.400 17827 4641 1 10 . 1 1 32 32 THR HA H 25 3.970 3.970 4.395 -0.425 17827 4642 1 10 . 1 1 32 32 THR C C 25 177.437 177.437 176.193 1.244 17827 4643 1 10 . 1 1 32 32 THR CA C 25 66.470 66.470 64.681 1.789 17827 4644 1 10 . 1 1 32 32 THR CB C 25 68.220 68.220 69.111 -0.891 17827 4645 1 10 . 1 1 32 32 THR H H 25 8.245 8.245 8.964 -0.719 17827 4646 1 10 . 1 1 34 34 VAL N N 27 114.090 114.090 115.118 -1.028 17827 4647 1 10 . 1 1 34 34 VAL HA H 27 4.500 4.500 4.100 0.400 17827 4648 1 10 . 1 1 34 34 VAL CA C 27 54.220 54.220 62.439 -8.219 17827 4649 1 10 . 1 1 34 34 VAL CB C 27 27.060 27.060 34.251 -7.191 17827 4650 1 10 . 1 1 34 34 VAL H H 27 6.977 6.977 7.318 -0.341 17827 4651 1 10 . 1 1 35 35 ASN N N 28 116.829 116.829 116.261 0.568 17827 4652 1 10 . 1 1 35 35 ASN HA H 28 4.299 4.299 4.504 -0.205 17827 4653 1 10 . 1 1 35 35 ASN CA C 28 53.650 53.650 54.272 -0.622 17827 4654 1 10 . 1 1 35 35 ASN CB C 28 37.110 37.110 37.779 -0.669 17827 4655 1 10 . 1 1 35 35 ASN H H 28 7.897 7.897 8.140 -0.243 17827 4656 1 10 . 1 1 36 36 ARG N N 29 114.310 114.310 117.221 -2.911 17827 4657 1 10 . 1 1 36 36 ARG HA H 29 4.700 4.700 4.659 0.041 17827 4658 1 10 . 1 1 36 36 ARG C C 29 173.347 173.347 173.999 -0.652 17827 4659 1 10 . 1 1 36 36 ARG CA C 29 54.900 54.900 54.608 0.292 17827 4660 1 10 . 1 1 36 36 ARG CB C 29 34.700 34.700 32.401 2.300 17827 4661 1 10 . 1 1 36 36 ARG H H 29 6.787 6.787 7.646 -0.859 17827 4662 1 10 . 1 1 37 37 ASP N N 30 124.071 124.071 118.029 6.042 17827 4663 1 10 . 1 1 37 37 ASP HA H 30 5.475 5.475 4.609 0.866 17827 4664 1 10 . 1 1 37 37 ASP C C 30 175.354 175.354 174.587 0.767 17827 4665 1 10 . 1 1 37 37 ASP CA C 30 53.660 53.660 53.285 0.375 17827 4666 1 10 . 1 1 37 37 ASP CB C 30 42.260 42.260 42.819 -0.559 17827 4667 1 10 . 1 1 37 37 ASP H H 30 8.760 8.760 8.417 0.343 17827 4668 1 10 . 1 1 38 38 VAL N N 31 123.300 123.300 118.461 4.839 17827 4669 1 10 . 1 1 38 38 VAL HA H 31 4.270 4.270 4.551 -0.281 17827 4670 1 10 . 1 1 38 38 VAL C C 31 174.203 174.203 174.555 -0.352 17827 4671 1 10 . 1 1 38 38 VAL CA C 31 60.700 60.700 60.049 0.651 17827 4672 1 10 . 1 1 38 38 VAL CB C 31 34.620 34.620 36.178 -1.558 17827 4673 1 10 . 1 1 38 38 VAL H H 31 9.187 9.187 8.006 1.181 17827 4674 1 10 . 1 1 39 39 THR N N 32 119.766 119.766 112.736 7.030 17827 4675 1 10 . 1 1 39 39 THR HA H 32 5.095 5.095 4.913 0.182 17827 4676 1 10 . 1 1 39 39 THR C C 32 173.547 173.547 173.221 0.326 17827 4677 1 10 . 1 1 39 39 THR CA C 32 60.550 60.550 59.761 0.788 17827 4678 1 10 . 1 1 39 39 THR CB C 32 70.170 70.170 71.414 -1.244 17827 4679 1 10 . 1 1 39 39 THR H H 32 8.360 8.360 8.119 0.241 17827 4680 1 10 . 1 1 40 40 LEU N N 33 124.522 124.522 122.654 1.868 17827 4681 1 10 . 1 1 40 40 LEU HA H 33 4.590 4.590 4.683 -0.093 17827 4682 1 10 . 1 1 40 40 LEU C C 33 174.691 174.691 175.782 -1.091 17827 4683 1 10 . 1 1 40 40 LEU CA C 33 52.580 52.580 53.780 -1.200 17827 4684 1 10 . 1 1 40 40 LEU CB C 33 45.410 45.410 44.565 0.845 17827 4685 1 10 . 1 1 40 40 LEU H H 33 8.750 8.750 8.202 0.548 17827 4686 1 10 . 1 1 41 41 ARG N N 34 122.712 122.712 124.854 -2.142 17827 4687 1 10 . 1 1 41 41 ARG HA H 34 4.680 4.680 4.689 -0.009 17827 4688 1 10 . 1 1 41 41 ARG C C 34 175.700 175.700 174.357 1.343 17827 4689 1 10 . 1 1 41 41 ARG CA C 34 55.420 55.420 55.327 0.093 17827 4690 1 10 . 1 1 41 41 ARG CB C 34 29.500 29.500 29.538 -0.038 17827 4691 1 10 . 1 1 41 41 ARG H H 34 8.345 8.345 8.739 -0.394 17827 4692 1 10 . 1 1 42 42 VAL N N 35 117.728 117.728 118.096 -0.368 17827 4693 1 10 . 1 1 42 42 VAL HA H 35 4.465 4.465 4.405 0.060 17827 4694 1 10 . 1 1 42 42 VAL C C 35 173.184 173.184 173.594 -0.410 17827 4695 1 10 . 1 1 42 42 VAL CA C 35 58.670 58.670 59.538 -0.868 17827 4696 1 10 . 1 1 42 42 VAL CB C 35 36.050 36.050 35.377 0.673 17827 4697 1 10 . 1 1 42 42 VAL H H 35 8.640 8.640 7.847 0.793 17827 4698 1 10 . 1 1 43 43 THR N N 36 104.359 104.359 109.301 -4.942 17827 4699 1 10 . 1 1 43 43 THR HA H 36 4.660 4.660 2.344 2.316 17827 4700 1 10 . 1 1 43 43 THR C C 36 174.862 174.862 175.318 -0.456 17827 4701 1 10 . 1 1 43 43 THR CA C 36 59.010 59.010 59.353 -0.343 17827 4702 1 10 . 1 1 43 43 THR CB C 36 71.570 71.570 71.546 0.024 17827 4703 1 10 . 1 1 43 43 THR H H 36 6.220 6.220 7.710 -1.490 17827 4704 1 10 . 1 1 44 44 GLY N N 37 105.946 105.946 107.995 -2.049 17827 4705 1 10 . 1 1 44 44 GLY C C 37 173.394 173.394 174.503 -1.109 17827 4706 1 10 . 1 1 44 44 GLY CA C 37 46.830 46.830 46.907 -0.077 17827 4707 1 10 . 1 1 44 44 GLY H H 37 9.160 9.160 8.594 0.566 17827 4708 1 10 . 1 1 45 45 GLU N N 38 113.875 113.875 117.446 -3.571 17827 4709 1 10 . 1 1 45 45 GLU HA H 38 4.290 4.290 4.338 -0.048 17827 4710 1 10 . 1 1 45 45 GLU C C 38 176.167 176.167 176.517 -0.350 17827 4711 1 10 . 1 1 45 45 GLU CA C 38 55.500 55.500 55.931 -0.431 17827 4712 1 10 . 1 1 45 45 GLU CB C 38 30.950 30.950 29.737 1.213 17827 4713 1 10 . 1 1 45 45 GLU H H 38 7.500 7.500 7.328 0.172 17827 4714 1 10 . 1 1 46 46 VAL N N 39 121.577 121.577 122.138 -0.561 17827 4715 1 10 . 1 1 46 46 VAL HA H 39 3.820 3.820 3.982 -0.162 17827 4716 1 10 . 1 1 46 46 VAL C C 39 174.651 174.651 175.248 -0.597 17827 4717 1 10 . 1 1 46 46 VAL CA C 39 63.920 63.920 62.080 1.841 17827 4718 1 10 . 1 1 46 46 VAL CB C 39 31.590 31.590 32.719 -1.129 17827 4719 1 10 . 1 1 46 46 VAL H H 39 7.260 7.260 7.591 -0.331 17827 4720 1 10 . 1 1 47 47 HIS N N 40 123.391 123.391 125.682 -2.291 17827 4721 1 10 . 1 1 47 47 HIS HA H 40 5.212 5.212 4.554 0.658 17827 4722 1 10 . 1 1 47 47 HIS C C 40 177.440 177.440 176.435 1.005 17827 4723 1 10 . 1 1 47 47 HIS CA C 40 54.660 54.660 56.286 -1.626 17827 4724 1 10 . 1 1 47 47 HIS CB C 40 30.910 30.910 31.020 -0.110 17827 4725 1 10 . 1 1 47 47 HIS H H 40 8.285 8.285 8.459 -0.174 17827 4726 1 10 . 1 1 48 48 ILE N N 41 124.071 124.071 124.696 -0.625 17827 4727 1 10 . 1 1 48 48 ILE HA H 41 3.530 3.530 3.814 -0.284 17827 4728 1 10 . 1 1 48 48 ILE C C 41 178.941 178.941 177.814 1.127 17827 4729 1 10 . 1 1 48 48 ILE CA C 41 62.330 62.330 65.411 -3.081 17827 4730 1 10 . 1 1 48 48 ILE CB C 41 34.230 34.230 37.941 -3.711 17827 4731 1 10 . 1 1 48 48 ILE H H 41 8.863 8.863 8.478 0.385 17827 4732 1 10 . 1 1 49 49 GLY N N 42 106.853 106.853 104.683 2.170 17827 4733 1 10 . 1 1 49 49 GLY C C 42 175.669 175.669 175.428 0.241 17827 4734 1 10 . 1 1 49 49 GLY CA C 42 45.320 45.320 46.313 -0.993 17827 4735 1 10 . 1 1 49 49 GLY H H 42 9.720 9.720 8.687 1.033 17827 4736 1 10 . 1 1 50 50 GLY N N 43 109.571 109.571 109.263 0.308 17827 4737 1 10 . 1 1 50 50 GLY C C 43 175.847 175.847 175.317 0.530 17827 4738 1 10 . 1 1 50 50 GLY CA C 43 47.000 47.000 45.436 1.564 17827 4739 1 10 . 1 1 50 50 GLY H H 43 6.950 6.950 8.190 -1.240 17827 4740 1 10 . 1 1 51 51 VAL N N 44 123.163 123.163 124.648 -1.485 17827 4741 1 10 . 1 1 51 51 VAL HA H 44 3.115 3.115 3.540 -0.425 17827 4742 1 10 . 1 1 51 51 VAL C C 44 176.804 176.804 177.916 -1.112 17827 4743 1 10 . 1 1 51 51 VAL CA C 44 66.660 66.660 67.203 -0.543 17827 4744 1 10 . 1 1 51 51 VAL CB C 44 30.730 30.730 32.071 -1.341 17827 4745 1 10 . 1 1 51 51 VAL H H 44 7.860 7.860 8.713 -0.853 17827 4746 1 10 . 1 1 52 52 MET N N 45 115.913 115.913 117.506 -1.593 17827 4747 1 10 . 1 1 52 52 MET HA H 45 3.410 3.410 4.267 -0.857 17827 4748 1 10 . 1 1 52 52 MET C C 45 176.881 176.881 178.116 -1.235 17827 4749 1 10 . 1 1 52 52 MET CA C 45 59.830 59.830 59.546 0.284 17827 4750 1 10 . 1 1 52 52 MET CB C 45 32.310 32.310 32.015 0.295 17827 4751 1 10 . 1 1 52 52 MET H H 45 7.940 7.940 7.878 0.062 17827 4752 1 10 . 1 1 53 53 LEU N N 46 118.291 118.291 120.960 -2.669 17827 4753 1 10 . 1 1 53 53 LEU HA H 46 3.940 3.940 3.923 0.017 17827 4754 1 10 . 1 1 53 53 LEU C C 46 179.178 179.178 179.114 0.064 17827 4755 1 10 . 1 1 53 53 LEU CA C 46 58.500 58.500 57.784 0.716 17827 4756 1 10 . 1 1 53 53 LEU CB C 46 41.930 41.930 41.026 0.904 17827 4757 1 10 . 1 1 53 53 LEU H H 46 7.550 7.550 7.588 -0.038 17827 4758 1 10 . 1 1 54 54 LYS N N 47 118.142 118.142 119.156 -1.014 17827 4759 1 10 . 1 1 54 54 LYS HA H 47 3.870 3.870 4.157 -0.287 17827 4760 1 10 . 1 1 54 54 LYS C C 47 178.616 178.616 179.287 -0.671 17827 4761 1 10 . 1 1 54 54 LYS CA C 47 57.980 57.980 59.101 -1.121 17827 4762 1 10 . 1 1 54 54 LYS CB C 47 32.320 32.320 32.048 0.272 17827 4763 1 10 . 1 1 54 54 LYS H H 47 7.665 7.665 8.519 -0.854 17827 4764 1 10 . 1 1 55 55 LEU N N 48 119.385 119.385 120.611 -1.226 17827 4765 1 10 . 1 1 55 55 LEU HA H 48 3.570 3.570 4.313 -0.743 17827 4766 1 10 . 1 1 55 55 LEU C C 48 177.405 177.405 177.870 -0.465 17827 4767 1 10 . 1 1 55 55 LEU CA C 48 57.790 57.790 57.824 -0.034 17827 4768 1 10 . 1 1 55 55 LEU CB C 48 41.590 41.590 42.263 -0.673 17827 4769 1 10 . 1 1 55 55 LEU H H 48 7.975 7.975 7.784 0.191 17827 4770 1 10 . 1 1 56 56 VAL N N 49 116.141 116.141 119.643 -3.502 17827 4771 1 10 . 1 1 56 56 VAL HA H 49 2.990 2.990 3.652 -0.662 17827 4772 1 10 . 1 1 56 56 VAL C C 49 178.564 178.564 178.599 -0.035 17827 4773 1 10 . 1 1 56 56 VAL CA C 49 66.310 66.310 67.298 -0.988 17827 4774 1 10 . 1 1 56 56 VAL CB C 49 31.300 31.300 31.271 0.029 17827 4775 1 10 . 1 1 56 56 VAL H H 49 7.615 7.615 9.036 -1.421 17827 4776 1 10 . 1 1 57 57 GLU N N 50 118.631 118.631 118.012 0.619 17827 4777 1 10 . 1 1 57 57 GLU HA H 50 3.965 3.965 4.002 -0.037 17827 4778 1 10 . 1 1 57 57 GLU C C 50 178.030 178.030 178.448 -0.418 17827 4779 1 10 . 1 1 57 57 GLU CA C 50 58.500 58.500 59.014 -0.514 17827 4780 1 10 . 1 1 57 57 GLU CB C 50 29.610 29.610 29.484 0.126 17827 4781 1 10 . 1 1 57 57 GLU H H 50 7.575 7.575 8.822 -1.247 17827 4782 1 10 . 1 1 58 58 LYS N N 51 117.053 117.053 118.534 -1.481 17827 4783 1 10 . 1 1 58 58 LYS HA H 51 4.130 4.130 4.044 0.086 17827 4784 1 10 . 1 1 58 58 LYS C C 51 176.956 176.956 178.063 -1.107 17827 4785 1 10 . 1 1 58 58 LYS CA C 51 56.660 56.660 58.364 -1.704 17827 4786 1 10 . 1 1 58 58 LYS CB C 51 32.660 32.660 32.838 -0.178 17827 4787 1 10 . 1 1 58 58 LYS H H 51 7.490 7.490 7.405 0.085 17827 4788 1 10 . 1 1 59 59 LEU N N 52 119.460 119.460 118.833 0.627 17827 4789 1 10 . 1 1 59 59 LEU HA H 52 4.122 4.122 4.136 -0.014 17827 4790 1 10 . 1 1 59 59 LEU C C 52 176.645 176.645 177.163 -0.518 17827 4791 1 10 . 1 1 59 59 LEU CA C 52 56.660 56.660 55.940 0.720 17827 4792 1 10 . 1 1 59 59 LEU CB C 52 42.700 42.700 42.054 0.646 17827 4793 1 10 . 1 1 59 59 LEU H H 52 7.470 7.470 7.999 -0.529 17827 4794 1 10 . 1 1 62 62 LYS C C 55 175.670 175.670 175.745 -0.075 17827 4795 1 10 . 1 1 63 63 LYS N N 56 122.430 122.430 120.938 1.492 17827 4796 1 10 . 1 1 63 63 LYS HA H 56 4.030 4.030 4.222 -0.192 17827 4797 1 10 . 1 1 63 63 LYS C C 56 172.850 172.850 175.969 -3.119 17827 4798 1 10 . 1 1 63 63 LYS CA C 56 54.530 54.530 55.943 -1.413 17827 4799 1 10 . 1 1 63 63 LYS CB C 56 34.440 34.440 33.601 0.839 17827 4800 1 10 . 1 1 63 63 LYS H H 56 7.245 7.245 7.744 -0.499 17827 4801 1 10 . 1 1 64 64 ASP N N 57 118.867 118.867 119.234 -0.367 17827 4802 1 10 . 1 1 64 64 ASP HA H 57 4.530 4.530 3.670 0.860 17827 4803 1 10 . 1 1 64 64 ASP C C 57 176.710 176.710 176.150 0.560 17827 4804 1 10 . 1 1 64 64 ASP CA C 57 52.500 52.500 53.541 -1.041 17827 4805 1 10 . 1 1 64 64 ASP CB C 57 40.320 40.320 41.257 -0.937 17827 4806 1 10 . 1 1 64 64 ASP H H 57 7.867 7.867 8.073 -0.206 17827 4807 1 10 . 1 1 65 65 TRP N N 58 128.827 128.827 121.857 6.970 17827 4808 1 10 . 1 1 65 65 TRP HA H 58 4.540 4.540 4.521 0.019 17827 4809 1 10 . 1 1 65 65 TRP C C 58 178.390 178.390 178.106 0.284 17827 4810 1 10 . 1 1 65 65 TRP CA C 58 52.860 52.860 58.690 -5.830 17827 4811 1 10 . 1 1 65 65 TRP CB C 58 29.420 29.420 28.900 0.520 17827 4812 1 10 . 1 1 65 65 TRP H H 58 8.790 8.790 6.814 1.976 17827 4813 1 10 . 1 1 66 66 SER N N 59 117.724 117.724 115.748 1.976 17827 4814 1 10 . 1 1 66 66 SER HA H 59 4.143 4.143 4.119 0.024 17827 4815 1 10 . 1 1 66 66 SER C C 59 174.471 174.471 175.358 -0.887 17827 4816 1 10 . 1 1 66 66 SER CA C 59 62.350 62.350 60.777 1.573 17827 4817 1 10 . 1 1 66 66 SER CB C 59 63.110 63.110 62.196 0.914 17827 4818 1 10 . 1 1 66 66 SER H H 59 8.637 8.637 8.306 0.331 17827 4819 1 10 . 1 1 67 67 ASP N N 60 121.042 121.042 121.827 -0.785 17827 4820 1 10 . 1 1 67 67 ASP C C 60 176.206 176.206 176.793 -0.587 17827 4821 1 10 . 1 1 67 67 ASP CB C 60 42.560 42.560 40.957 1.603 17827 4822 1 10 . 1 1 67 67 ASP H H 60 8.895 8.895 8.540 0.355 17827 4823 1 10 . 1 1 68 68 HIS N N 61 121.519 121.519 117.452 4.067 17827 4824 1 10 . 1 1 68 68 HIS HA H 61 4.490 4.490 4.183 0.307 17827 4825 1 10 . 1 1 68 68 HIS C C 61 174.546 174.546 173.687 0.859 17827 4826 1 10 . 1 1 68 68 HIS CA C 61 57.940 57.940 56.657 1.283 17827 4827 1 10 . 1 1 68 68 HIS CB C 61 39.410 39.410 30.940 8.470 17827 4828 1 10 . 1 1 68 68 HIS H H 61 7.958 7.958 7.862 0.096 17827 4829 1 10 . 1 1 69 69 ALA N N 62 122.256 122.256 118.849 3.407 17827 4830 1 10 . 1 1 69 69 ALA C C 62 175.294 175.294 174.698 0.596 17827 4831 1 10 . 1 1 69 69 ALA CB C 62 22.470 22.470 22.601 -0.131 17827 4832 1 10 . 1 1 69 69 ALA H H 62 8.575 8.575 8.400 0.175 17827 4833 1 10 . 1 1 70 70 LEU N N 63 118.904 118.904 120.811 -1.907 17827 4834 1 10 . 1 1 70 70 LEU HA H 63 5.654 5.654 4.915 0.739 17827 4835 1 10 . 1 1 70 70 LEU C C 63 174.445 174.445 176.621 -2.176 17827 4836 1 10 . 1 1 70 70 LEU CA C 63 53.930 53.930 53.117 0.813 17827 4837 1 10 . 1 1 70 70 LEU CB C 63 44.300 44.300 42.435 1.865 17827 4838 1 10 . 1 1 70 70 LEU H H 63 9.150 9.150 8.664 0.486 17827 4839 1 10 . 1 1 71 71 TRP N N 64 125.367 125.367 126.317 -0.950 17827 4840 1 10 . 1 1 71 71 TRP C C 64 174.010 174.010 174.767 -0.757 17827 4841 1 10 . 1 1 71 71 TRP CB C 64 32.210 32.210 30.650 1.560 17827 4842 1 10 . 1 1 71 71 TRP H H 64 9.590 9.590 8.627 0.963 17827 4843 1 10 . 1 1 72 72 TRP N N 65 129.982 129.982 129.684 0.298 17827 4844 1 10 . 1 1 72 72 TRP HA H 65 4.980 4.980 4.673 0.307 17827 4845 1 10 . 1 1 72 72 TRP C C 65 174.335 174.335 176.219 -1.884 17827 4846 1 10 . 1 1 72 72 TRP CA C 65 51.440 51.440 55.675 -4.235 17827 4847 1 10 . 1 1 72 72 TRP CB C 65 30.490 30.490 30.202 0.288 17827 4848 1 10 . 1 1 72 72 TRP H H 65 8.277 8.277 8.810 -0.533 17827 4849 1 10 . 1 1 73 73 GLU N N 66 129.112 129.112 126.616 2.496 17827 4850 1 10 . 1 1 73 73 GLU HA H 66 3.300 3.300 3.752 -0.452 17827 4851 1 10 . 1 1 73 73 GLU C C 66 178.595 178.595 176.760 1.835 17827 4852 1 10 . 1 1 73 73 GLU CA C 66 59.920 59.920 58.746 1.174 17827 4853 1 10 . 1 1 73 73 GLU CB C 66 29.060 29.060 28.885 0.175 17827 4854 1 10 . 1 1 73 73 GLU H H 66 8.969 8.969 8.929 0.040 17827 4855 1 10 . 1 1 74 74 LYS N N 67 117.492 117.492 118.761 -1.269 17827 4856 1 10 . 1 1 74 74 LYS HA H 67 3.702 3.702 3.641 0.061 17827 4857 1 10 . 1 1 74 74 LYS C C 67 176.361 176.361 177.228 -0.867 17827 4858 1 10 . 1 1 74 74 LYS CA C 67 58.660 58.660 58.349 0.311 17827 4859 1 10 . 1 1 74 74 LYS CB C 67 32.020 32.020 31.236 0.784 17827 4860 1 10 . 1 1 74 74 LYS H H 67 7.860 7.860 7.973 -0.113 17827 4861 1 10 . 1 1 75 75 LYS N N 68 121.233 121.233 113.877 7.356 17827 4862 1 10 . 1 1 75 75 LYS HA H 68 3.935 3.935 4.208 -0.273 17827 4863 1 10 . 1 1 75 75 LYS C C 68 174.183 174.183 175.624 -1.441 17827 4864 1 10 . 1 1 75 75 LYS CA C 68 53.400 53.400 55.316 -1.917 17827 4865 1 10 . 1 1 75 75 LYS CB C 68 32.200 32.200 33.773 -1.573 17827 4866 1 10 . 1 1 75 75 LYS H H 68 7.500 7.500 6.992 0.508 17827 4867 1 10 . 1 1 76 76 ARG N N 69 121.125 121.125 116.207 4.918 17827 4868 1 10 . 1 1 76 76 ARG HA H 69 2.890 2.890 4.064 -1.174 17827 4869 1 10 . 1 1 76 76 ARG C C 69 173.984 173.984 175.159 -1.175 17827 4870 1 10 . 1 1 76 76 ARG CA C 69 56.316 56.316 56.069 0.247 17827 4871 1 10 . 1 1 76 76 ARG CB C 69 27.090 27.090 26.454 0.636 17827 4872 1 10 . 1 1 76 76 ARG H H 69 7.500 7.500 8.384 -0.884 17827 4873 1 10 . 1 1 77 77 THR N N 70 110.478 110.478 113.492 -3.014 17827 4874 1 10 . 1 1 77 77 THR HA H 70 4.650 4.650 3.965 0.685 17827 4875 1 10 . 1 1 77 77 THR C C 70 171.846 171.846 173.196 -1.350 17827 4876 1 10 . 1 1 77 77 THR CA C 70 61.630 61.630 60.641 0.989 17827 4877 1 10 . 1 1 77 77 THR CB C 70 72.210 72.210 71.222 0.988 17827 4878 1 10 . 1 1 77 77 THR H H 70 6.280 6.280 7.819 -1.539 17827 4879 1 10 . 1 1 78 78 TRP N N 71 127.244 127.244 126.426 0.818 17827 4880 1 10 . 1 1 78 78 TRP HA H 71 4.750 4.750 5.100 -0.350 17827 4881 1 10 . 1 1 78 78 TRP C C 71 177.303 177.303 176.378 0.925 17827 4882 1 10 . 1 1 78 78 TRP CA C 71 56.240 56.240 56.539 -0.299 17827 4883 1 10 . 1 1 78 78 TRP CB C 71 30.500 30.500 29.878 0.622 17827 4884 1 10 . 1 1 78 78 TRP H H 71 8.795 8.795 7.741 1.054 17827 4885 1 10 . 1 1 79 79 LEU N N 72 125.202 125.202 122.114 3.088 17827 4886 1 10 . 1 1 79 79 LEU HA H 72 4.500 4.500 4.754 -0.254 17827 4887 1 10 . 1 1 79 79 LEU C C 72 175.667 175.667 176.644 -0.977 17827 4888 1 10 . 1 1 79 79 LEU CA C 72 52.510 52.510 54.170 -1.660 17827 4889 1 10 . 1 1 79 79 LEU CB C 72 38.240 38.240 40.979 -2.739 17827 4890 1 10 . 1 1 79 79 LEU H H 72 9.175 9.175 8.142 1.033 17827 4891 1 10 . 1 1 80 80 LEU N N 73 119.170 119.170 123.428 -4.258 17827 4892 1 10 . 1 1 80 80 LEU HA H 73 4.380 4.380 4.478 -0.098 17827 4893 1 10 . 1 1 80 80 LEU C C 73 178.139 178.139 176.883 1.256 17827 4894 1 10 . 1 1 80 80 LEU CA C 73 54.700 54.700 55.550 -0.850 17827 4895 1 10 . 1 1 80 80 LEU CB C 73 42.170 42.170 42.802 -0.632 17827 4896 1 10 . 1 1 80 80 LEU H H 73 7.280 7.280 8.355 -1.075 17827 4897 1 10 . 1 1 81 81 LYS N N 74 119.766 119.766 118.145 1.621 17827 4898 1 10 . 1 1 81 81 LYS HA H 74 4.435 4.435 4.345 0.090 17827 4899 1 10 . 1 1 81 81 LYS C C 74 176.601 176.601 177.205 -0.604 17827 4900 1 10 . 1 1 81 81 LYS CA C 74 54.660 54.660 56.392 -1.732 17827 4901 1 10 . 1 1 81 81 LYS CB C 74 28.540 28.540 33.642 -5.102 17827 4902 1 10 . 1 1 81 81 LYS H H 74 7.865 7.865 7.681 0.184 17827 4903 1 10 . 1 1 82 82 THR N N 75 115.636 115.636 114.341 1.295 17827 4904 1 10 . 1 1 82 82 THR HA H 75 3.800 3.800 4.296 -0.496 17827 4905 1 10 . 1 1 82 82 THR C C 75 174.806 174.806 175.218 -0.412 17827 4906 1 10 . 1 1 82 82 THR CA C 75 64.650 64.650 63.675 0.975 17827 4907 1 10 . 1 1 82 82 THR CB C 75 68.260 68.260 68.933 -0.673 17827 4908 1 10 . 1 1 82 82 THR H H 75 7.910 7.910 8.717 -0.807 17827 4909 1 10 . 1 1 83 83 HIS N N 76 116.767 116.767 117.837 -1.070 17827 4910 1 10 . 1 1 83 83 HIS C C 76 176.370 176.370 174.641 1.729 17827 4911 1 10 . 1 1 83 83 HIS CB C 76 30.210 30.210 29.836 0.374 17827 4912 1 10 . 1 1 83 83 HIS H H 76 8.965 8.965 8.246 0.719 17827 4913 1 10 . 1 1 84 84 TRP N N 77 123.905 123.905 119.640 4.265 17827 4914 1 10 . 1 1 84 84 TRP C C 77 175.584 175.584 175.608 -0.024 17827 4915 1 10 . 1 1 84 84 TRP CB C 77 30.390 30.390 28.742 1.648 17827 4916 1 10 . 1 1 84 84 TRP H H 77 7.635 7.635 7.509 0.126 17827 4917 1 10 . 1 1 85 85 THR N N 78 108.440 108.440 114.211 -5.771 17827 4918 1 10 . 1 1 85 85 THR HA H 78 4.900 4.900 4.214 0.686 17827 4919 1 10 . 1 1 85 85 THR C C 78 175.691 175.691 175.943 -0.252 17827 4920 1 10 . 1 1 85 85 THR CA C 78 59.500 59.500 63.475 -3.975 17827 4921 1 10 . 1 1 85 85 THR CB C 78 70.600 70.600 69.604 0.996 17827 4922 1 10 . 1 1 85 85 THR H H 78 7.030 7.030 7.537 -0.507 17827 4923 1 10 . 1 1 86 86 LEU N N 79 119.766 119.766 121.896 -2.130 17827 4924 1 10 . 1 1 86 86 LEU HA H 79 4.040 4.040 4.055 -0.015 17827 4925 1 10 . 1 1 86 86 LEU C C 79 179.734 179.734 179.143 0.591 17827 4926 1 10 . 1 1 86 86 LEU CA C 79 58.750 58.750 59.183 -0.433 17827 4927 1 10 . 1 1 86 86 LEU CB C 79 40.450 40.450 40.802 -0.352 17827 4928 1 10 . 1 1 86 86 LEU H H 79 8.045 8.045 8.742 -0.697 17827 4929 1 10 . 1 1 87 87 ASP N N 80 118.407 118.407 119.155 -0.748 17827 4930 1 10 . 1 1 87 87 ASP HA H 80 4.440 4.440 4.387 0.053 17827 4931 1 10 . 1 1 87 87 ASP C C 80 179.152 179.152 178.673 0.479 17827 4932 1 10 . 1 1 87 87 ASP CA C 80 57.320 57.320 57.021 0.299 17827 4933 1 10 . 1 1 87 87 ASP CB C 80 40.320 40.320 40.621 -0.301 17827 4934 1 10 . 1 1 87 87 ASP H H 80 8.935 8.935 8.839 0.096 17827 4935 1 10 . 1 1 88 88 LYS N N 81 123.300 123.300 119.739 3.561 17827 4936 1 10 . 1 1 88 88 LYS HA H 81 3.700 3.700 3.848 -0.148 17827 4937 1 10 . 1 1 88 88 LYS C C 81 178.721 178.721 178.190 0.531 17827 4938 1 10 . 1 1 88 88 LYS CA C 81 59.020 59.020 58.984 0.036 17827 4939 1 10 . 1 1 88 88 LYS CB C 81 31.640 31.640 31.873 -0.234 17827 4940 1 10 . 1 1 88 88 LYS H H 81 8.055 8.055 7.995 0.060 17827 4941 1 10 . 1 1 89 89 TYR N N 82 115.690 115.690 116.786 -1.096 17827 4942 1 10 . 1 1 89 89 TYR HA H 82 4.580 4.580 4.505 0.075 17827 4943 1 10 . 1 1 89 89 TYR C C 82 176.164 176.164 176.398 -0.234 17827 4944 1 10 . 1 1 89 89 TYR CA C 82 61.750 61.750 59.687 2.063 17827 4945 1 10 . 1 1 89 89 TYR CB C 82 40.750 40.750 39.089 1.661 17827 4946 1 10 . 1 1 89 89 TYR H H 82 7.730 7.730 7.870 -0.140 17827 4947 1 10 . 1 1 90 90 GLY N N 83 108.212 108.212 106.728 1.484 17827 4948 1 10 . 1 1 90 90 GLY C C 83 174.555 174.555 174.266 0.289 17827 4949 1 10 . 1 1 90 90 GLY CA C 83 45.510 45.510 45.083 0.427 17827 4950 1 10 . 1 1 90 90 GLY H H 83 8.030 8.030 8.074 -0.044 17827 4951 1 10 . 1 1 91 91 ILE N N 84 122.960 122.960 120.438 2.522 17827 4952 1 10 . 1 1 91 91 ILE HA H 84 3.370 3.370 4.243 -0.873 17827 4953 1 10 . 1 1 91 91 ILE C C 84 173.611 173.611 175.041 -1.430 17827 4954 1 10 . 1 1 91 91 ILE CA C 84 61.700 61.700 61.200 0.500 17827 4955 1 10 . 1 1 91 91 ILE CB C 84 37.610 37.610 39.341 -1.731 17827 4956 1 10 . 1 1 91 91 ILE H H 84 7.850 7.850 7.943 -0.093 17827 4957 1 10 . 1 1 92 92 GLN N N 85 125.429 125.429 123.909 1.520 17827 4958 1 10 . 1 1 92 92 GLN HA H 85 3.880 3.880 3.924 -0.044 17827 4959 1 10 . 1 1 92 92 GLN C C 85 174.756 174.756 175.060 -0.304 17827 4960 1 10 . 1 1 92 92 GLN CA C 85 53.720 53.720 54.831 -1.111 17827 4961 1 10 . 1 1 92 92 GLN CB C 85 31.150 31.150 30.798 0.352 17827 4962 1 10 . 1 1 92 92 GLN H H 85 7.700 7.700 8.153 -0.453 17827 4963 1 10 . 1 1 93 93 ALA N N 86 118.217 118.217 120.839 -2.622 17827 4964 1 10 . 1 1 93 93 ALA HA H 86 3.800 3.800 4.257 -0.457 17827 4965 1 10 . 1 1 93 93 ALA C C 86 177.201 177.201 177.397 -0.196 17827 4966 1 10 . 1 1 93 93 ALA CA C 86 54.080 54.080 53.258 0.822 17827 4967 1 10 . 1 1 93 93 ALA CB C 86 18.410 18.410 18.738 -0.327 17827 4968 1 10 . 1 1 93 93 ALA H H 86 6.886 6.886 8.025 -1.139 17827 4969 1 10 . 1 1 94 94 ASP N N 87 113.647 113.647 117.446 -3.799 17827 4970 1 10 . 1 1 94 94 ASP HA H 87 4.420 4.420 4.534 -0.114 17827 4971 1 10 . 1 1 94 94 ASP C C 87 176.218 176.218 175.217 1.001 17827 4972 1 10 . 1 1 94 94 ASP CA C 87 54.060 54.060 53.904 0.156 17827 4973 1 10 . 1 1 94 94 ASP CB C 87 39.600 39.600 40.926 -1.326 17827 4974 1 10 . 1 1 94 94 ASP H H 87 8.223 8.223 8.034 0.189 17827 4975 1 10 . 1 1 95 95 ALA N N 88 124.145 124.145 122.710 1.435 17827 4976 1 10 . 1 1 95 95 ALA HA H 88 4.306 4.306 4.687 -0.381 17827 4977 1 10 . 1 1 95 95 ALA C C 88 176.630 176.630 176.464 0.166 17827 4978 1 10 . 1 1 95 95 ALA CA C 88 53.320 53.320 51.731 1.589 17827 4979 1 10 . 1 1 95 95 ALA CB C 88 20.020 20.020 19.725 0.295 17827 4980 1 10 . 1 1 95 95 ALA H H 88 7.941 7.941 7.131 0.810 17827 4981 1 10 . 1 1 96 96 LYS N N 89 120.897 120.897 126.520 -5.623 17827 4982 1 10 . 1 1 96 96 LYS HA H 89 4.826 4.826 4.857 -0.031 17827 4983 1 10 . 1 1 96 96 LYS C C 89 176.161 176.161 176.208 -0.047 17827 4984 1 10 . 1 1 96 96 LYS CA C 89 54.736 54.736 55.078 -0.342 17827 4985 1 10 . 1 1 96 96 LYS CB C 89 32.390 32.390 32.100 0.290 17827 4986 1 10 . 1 1 96 96 LYS H H 89 8.500 8.500 8.727 -0.227 17827 4987 1 10 . 1 1 97 97 LEU N N 90 122.960 122.960 124.209 -1.249 17827 4988 1 10 . 1 1 97 97 LEU HA H 90 5.075 5.075 4.241 0.834 17827 4989 1 10 . 1 1 97 97 LEU C C 90 176.394 176.394 177.247 -0.853 17827 4990 1 10 . 1 1 97 97 LEU CA C 90 53.060 53.060 55.020 -1.960 17827 4991 1 10 . 1 1 97 97 LEU CB C 90 44.850 44.850 42.833 2.017 17827 4992 1 10 . 1 1 97 97 LEU H H 90 8.566 8.566 8.786 -0.220 17827 4993 1 10 . 1 1 98 98 GLN N N 91 119.538 119.538 115.797 3.741 17827 4994 1 10 . 1 1 98 98 GLN HA H 91 5.710 5.710 4.899 0.811 17827 4995 1 10 . 1 1 98 98 GLN C C 91 174.144 174.144 174.571 -0.427 17827 4996 1 10 . 1 1 98 98 GLN CA C 91 54.360 54.360 54.554 -0.194 17827 4997 1 10 . 1 1 98 98 GLN CB C 91 32.290 32.290 33.024 -0.734 17827 4998 1 10 . 1 1 98 98 GLN H H 91 9.060 9.060 8.073 0.987 17827 4999 1 10 . 1 1 99 99 PHE N N 92 125.674 125.674 120.526 5.148 17827 5000 1 10 . 1 1 99 99 PHE HA H 92 5.700 5.700 5.410 0.290 17827 5001 1 10 . 1 1 99 99 PHE C C 92 174.537 174.537 173.821 0.716 17827 5002 1 10 . 1 1 99 99 PHE CA C 92 54.190 54.190 56.365 -2.175 17827 5003 1 10 . 1 1 99 99 PHE CB C 92 41.080 41.080 43.537 -2.457 17827 5004 1 10 . 1 1 99 99 PHE H H 92 9.290 9.290 9.805 -0.515 17827 5005 1 10 . 1 1 100 100 THR N N 93 124.543 124.543 117.985 6.558 17827 5006 1 10 . 1 1 100 100 THR HA H 93 5.100 5.100 4.884 0.216 17827 5007 1 10 . 1 1 100 100 THR C C 93 180.164 180.164 171.532 8.632 17827 5008 1 10 . 1 1 100 100 THR CA C 93 58.830 58.830 59.182 -0.352 17827 5009 1 10 . 1 1 100 100 THR CB C 93 73.610 73.610 71.441 2.169 17827 5010 1 10 . 1 1 100 100 THR H H 93 8.945 8.945 8.188 0.757 17827 5011 1 11 . 1 1 9 9 ALA N N 2 124.336 124.336 123.026 1.310 17827 5012 1 11 . 1 1 9 9 ALA HA H 2 4.210 4.210 4.556 -0.346 17827 5013 1 11 . 1 1 9 9 ALA C C 2 177.598 177.598 176.415 1.183 17827 5014 1 11 . 1 1 9 9 ALA CA C 2 52.440 52.440 52.378 0.062 17827 5015 1 11 . 1 1 9 9 ALA CB C 2 19.030 19.030 19.757 -0.727 17827 5016 1 11 . 1 1 9 9 ALA H H 2 8.018 8.018 8.176 -0.158 17827 5017 1 11 . 1 1 10 10 LEU N N 3 121.125 121.125 122.282 -1.157 17827 5018 1 11 . 1 1 10 10 LEU HA H 3 4.210 4.210 4.191 0.019 17827 5019 1 11 . 1 1 10 10 LEU C C 3 177.094 177.094 177.480 -0.386 17827 5020 1 11 . 1 1 10 10 LEU CA C 3 55.320 55.320 56.342 -1.022 17827 5021 1 11 . 1 1 10 10 LEU CB C 3 42.170 42.170 42.360 -0.190 17827 5022 1 11 . 1 1 10 10 LEU H H 3 8.057 8.057 8.710 -0.653 17827 5023 1 11 . 1 1 11 11 ASP N N 4 119.766 119.766 115.712 4.054 17827 5024 1 11 . 1 1 11 11 ASP HA H 4 4.475 4.475 4.558 -0.083 17827 5025 1 11 . 1 1 11 11 ASP C C 4 176.509 176.509 177.592 -1.083 17827 5026 1 11 . 1 1 11 11 ASP CA C 4 54.550 54.550 54.732 -0.182 17827 5027 1 11 . 1 1 11 11 ASP CB C 4 40.950 40.950 40.926 0.024 17827 5028 1 11 . 1 1 11 11 ASP H H 4 8.145 8.145 8.491 -0.346 17827 5029 1 11 . 1 1 12 12 GLY N N 5 108.440 108.440 108.876 -0.436 17827 5030 1 11 . 1 1 12 12 GLY C C 5 173.692 173.692 175.549 -1.857 17827 5031 1 11 . 1 1 12 12 GLY CA C 5 45.310 45.310 45.770 -0.460 17827 5032 1 11 . 1 1 12 12 GLY H H 5 8.110 8.110 8.501 -0.391 17827 5033 1 11 . 1 1 13 13 ILE N N 6 119.766 119.766 115.149 4.617 17827 5034 1 11 . 1 1 13 13 ILE HA H 6 4.100 4.100 3.527 0.573 17827 5035 1 11 . 1 1 13 13 ILE C C 6 175.525 175.525 176.462 -0.937 17827 5036 1 11 . 1 1 13 13 ILE CA C 6 60.710 60.710 62.308 -1.598 17827 5037 1 11 . 1 1 13 13 ILE CB C 6 38.430 38.430 37.489 0.941 17827 5038 1 11 . 1 1 13 13 ILE H H 6 7.790 7.790 7.788 0.002 17827 5039 1 11 . 1 1 14 14 ARG N N 7 125.657 125.657 120.348 5.309 17827 5040 1 11 . 1 1 14 14 ARG HA H 7 4.210 4.210 4.282 -0.072 17827 5041 1 11 . 1 1 14 14 ARG C C 7 175.810 175.810 176.355 -0.545 17827 5042 1 11 . 1 1 14 14 ARG CA C 7 55.640 55.640 57.741 -2.101 17827 5043 1 11 . 1 1 14 14 ARG CB C 7 30.990 30.990 30.418 0.572 17827 5044 1 11 . 1 1 14 14 ARG H H 7 8.410 8.410 7.674 0.736 17827 5045 1 11 . 1 1 15 15 MET N N 8 123.598 123.598 114.965 8.633 17827 5046 1 11 . 1 1 15 15 MET HA H 8 4.210 4.210 5.002 -0.792 17827 5047 1 11 . 1 1 15 15 MET C C 8 174.950 174.950 174.666 0.284 17827 5048 1 11 . 1 1 15 15 MET CA C 8 55.330 55.330 53.893 1.437 17827 5049 1 11 . 1 1 15 15 MET CB C 8 31.730 31.730 32.548 -0.818 17827 5050 1 11 . 1 1 15 15 MET H H 8 8.495 8.495 7.543 0.952 17827 5051 1 11 . 1 1 16 16 PRO HA H 9 4.290 4.290 4.334 -0.044 17827 5052 1 11 . 1 1 16 16 PRO C C 9 176.228 176.228 176.282 -0.054 17827 5053 1 11 . 1 1 16 16 PRO CA C 9 63.370 63.370 64.466 -1.096 17827 5054 1 11 . 1 1 16 16 PRO CB C 9 31.820 31.820 31.292 0.528 17827 5055 1 11 . 1 1 17 17 ASP N N 10 117.952 117.952 116.426 1.526 17827 5056 1 11 . 1 1 17 17 ASP HA H 10 4.420 4.420 4.597 -0.177 17827 5057 1 11 . 1 1 17 17 ASP C C 10 176.714 176.714 176.763 -0.049 17827 5058 1 11 . 1 1 17 17 ASP CA C 10 54.130 54.130 54.371 -0.241 17827 5059 1 11 . 1 1 17 17 ASP CB C 10 40.430 40.430 39.816 0.614 17827 5060 1 11 . 1 1 17 17 ASP H H 10 8.076 8.076 8.205 -0.129 17827 5061 1 11 . 1 1 18 18 GLY N N 11 108.663 108.663 106.086 2.577 17827 5062 1 11 . 1 1 18 18 GLY C C 11 173.819 173.819 175.108 -1.289 17827 5063 1 11 . 1 1 18 18 GLY CA C 11 45.300 45.300 45.176 0.124 17827 5064 1 11 . 1 1 18 18 GLY H H 11 8.255 8.255 7.508 0.747 17827 5065 1 11 . 1 1 19 19 CYS N N 12 118.179 118.179 122.457 -4.278 17827 5066 1 11 . 1 1 19 19 CYS HA H 12 4.550 4.550 4.385 0.165 17827 5067 1 11 . 1 1 19 19 CYS C C 12 174.073 174.073 175.112 -1.039 17827 5068 1 11 . 1 1 19 19 CYS CA C 12 58.420 58.420 61.331 -2.911 17827 5069 1 11 . 1 1 19 19 CYS CB C 12 28.400 28.400 27.587 0.813 17827 5070 1 11 . 1 1 19 19 CYS H H 12 7.850 7.850 8.417 -0.567 17827 5071 1 11 . 1 1 20 20 TYR N N 13 120.897 120.897 121.293 -0.396 17827 5072 1 11 . 1 1 20 20 TYR HA H 13 4.550 4.550 4.569 -0.019 17827 5073 1 11 . 1 1 20 20 TYR C C 13 176.748 176.748 174.419 2.329 17827 5074 1 11 . 1 1 20 20 TYR CA C 13 58.470 58.470 57.193 1.277 17827 5075 1 11 . 1 1 20 20 TYR CB C 13 39.210 39.210 37.843 1.367 17827 5076 1 11 . 1 1 20 20 TYR H H 13 8.550 8.550 8.196 0.354 17827 5077 1 11 . 1 1 21 21 ALA N N 14 124.750 124.750 128.925 -4.175 17827 5078 1 11 . 1 1 21 21 ALA HA H 14 4.190 4.190 3.764 0.426 17827 5079 1 11 . 1 1 21 21 ALA C C 14 177.181 177.181 176.935 0.246 17827 5080 1 11 . 1 1 21 21 ALA CA C 14 53.530 53.530 54.361 -0.831 17827 5081 1 11 . 1 1 21 21 ALA CB C 14 18.630 18.630 17.611 1.019 17827 5082 1 11 . 1 1 21 21 ALA H H 14 8.615 8.615 8.061 0.554 17827 5083 1 11 . 1 1 22 22 ASP N N 15 117.500 117.500 122.864 -5.364 17827 5084 1 11 . 1 1 22 22 ASP HA H 15 4.480 4.480 4.607 -0.127 17827 5085 1 11 . 1 1 22 22 ASP C C 15 176.708 176.708 178.155 -1.447 17827 5086 1 11 . 1 1 22 22 ASP CA C 15 53.500 53.500 55.064 -1.564 17827 5087 1 11 . 1 1 22 22 ASP CB C 15 40.730 40.730 41.578 -0.848 17827 5088 1 11 . 1 1 22 22 ASP H H 15 7.960 7.960 8.577 -0.617 17827 5089 1 11 . 1 1 23 23 GLY N N 16 108.891 108.891 109.464 -0.573 17827 5090 1 11 . 1 1 23 23 GLY C C 16 174.373 174.373 173.230 1.143 17827 5091 1 11 . 1 1 23 23 GLY CA C 16 45.370 45.370 46.717 -1.347 17827 5092 1 11 . 1 1 23 23 GLY H H 16 8.344 8.344 8.212 0.132 17827 5093 1 11 . 1 1 24 24 THR N N 17 110.929 110.929 108.755 2.174 17827 5094 1 11 . 1 1 24 24 THR HA H 17 4.640 4.640 4.487 0.153 17827 5095 1 11 . 1 1 24 24 THR C C 17 173.620 173.620 173.090 0.530 17827 5096 1 11 . 1 1 24 24 THR CA C 17 60.540 60.540 59.958 0.582 17827 5097 1 11 . 1 1 24 24 THR CB C 17 72.100 72.100 71.119 0.981 17827 5098 1 11 . 1 1 24 24 THR H H 17 7.850 7.850 7.564 0.286 17827 5099 1 11 . 1 1 25 25 TRP N N 18 117.728 117.728 122.015 -4.287 17827 5100 1 11 . 1 1 25 25 TRP HA H 18 4.945 4.945 4.928 0.017 17827 5101 1 11 . 1 1 25 25 TRP C C 18 174.164 174.164 173.822 0.342 17827 5102 1 11 . 1 1 25 25 TRP CA C 18 54.620 54.620 56.489 -1.869 17827 5103 1 11 . 1 1 25 25 TRP CB C 18 30.650 30.650 30.358 0.292 17827 5104 1 11 . 1 1 25 25 TRP H H 18 8.640 8.640 7.737 0.903 17827 5105 1 11 . 1 1 26 26 GLU N N 19 117.728 117.728 119.002 -1.274 17827 5106 1 11 . 1 1 26 26 GLU HA H 19 4.851 4.851 4.850 0.001 17827 5107 1 11 . 1 1 26 26 GLU C C 19 174.786 174.786 174.600 0.186 17827 5108 1 11 . 1 1 26 26 GLU CA C 19 55.710 55.710 54.815 0.895 17827 5109 1 11 . 1 1 26 26 GLU CB C 19 31.500 31.500 32.462 -0.961 17827 5110 1 11 . 1 1 26 26 GLU H H 19 8.744 8.744 8.511 0.233 17827 5111 1 11 . 1 1 27 27 LEU N N 20 126.668 126.668 119.594 7.074 17827 5112 1 11 . 1 1 27 27 LEU HA H 20 4.880 4.880 4.762 0.118 17827 5113 1 11 . 1 1 27 27 LEU C C 20 175.123 175.123 175.402 -0.279 17827 5114 1 11 . 1 1 27 27 LEU CA C 20 53.252 53.252 53.496 -0.244 17827 5115 1 11 . 1 1 27 27 LEU CB C 20 45.280 45.280 46.739 -1.459 17827 5116 1 11 . 1 1 27 27 LEU H H 20 8.980 8.980 8.787 0.193 17827 5117 1 11 . 1 1 28 28 SER N N 21 121.804 121.804 117.529 4.275 17827 5118 1 11 . 1 1 28 28 SER HA H 21 4.894 4.894 5.074 -0.180 17827 5119 1 11 . 1 1 28 28 SER C C 21 173.483 173.483 172.876 0.607 17827 5120 1 11 . 1 1 28 28 SER CA C 21 57.880 57.880 56.692 1.188 17827 5121 1 11 . 1 1 28 28 SER CB C 21 63.920 63.920 64.605 -0.685 17827 5122 1 11 . 1 1 28 28 SER H H 21 8.785 8.785 8.589 0.196 17827 5123 1 11 . 1 1 29 29 VAL N N 22 125.881 125.881 122.964 2.917 17827 5124 1 11 . 1 1 29 29 VAL HA H 22 4.370 4.370 4.466 -0.096 17827 5125 1 11 . 1 1 29 29 VAL C C 22 173.953 173.953 174.960 -1.007 17827 5126 1 11 . 1 1 29 29 VAL CA C 22 60.440 60.440 60.634 -0.194 17827 5127 1 11 . 1 1 29 29 VAL CB C 22 34.350 34.350 35.958 -1.608 17827 5128 1 11 . 1 1 29 29 VAL H H 22 8.865 8.865 8.327 0.538 17827 5129 1 11 . 1 1 30 30 HIS N N 23 126.560 126.560 123.407 3.153 17827 5130 1 11 . 1 1 30 30 HIS HA H 23 5.220 5.220 4.792 0.428 17827 5131 1 11 . 1 1 30 30 HIS C C 23 174.596 174.596 173.976 0.620 17827 5132 1 11 . 1 1 30 30 HIS CA C 23 55.250 55.250 55.442 -0.192 17827 5133 1 11 . 1 1 30 30 HIS CB C 23 30.550 30.550 32.888 -2.338 17827 5134 1 11 . 1 1 30 30 HIS H H 23 8.810 8.810 8.522 0.288 17827 5135 1 11 . 1 1 31 31 VAL N N 24 130.587 130.587 125.596 4.991 17827 5136 1 11 . 1 1 31 31 VAL HA H 24 5.230 5.230 4.756 0.474 17827 5137 1 11 . 1 1 31 31 VAL C C 24 177.426 177.426 176.223 1.203 17827 5138 1 11 . 1 1 31 31 VAL CA C 24 55.530 55.530 61.237 -5.707 17827 5139 1 11 . 1 1 31 31 VAL CB C 24 31.040 31.040 32.356 -1.316 17827 5140 1 11 . 1 1 31 31 VAL H H 24 9.043 9.043 8.673 0.370 17827 5141 1 11 . 1 1 32 32 THR N N 25 122.484 122.484 120.085 2.399 17827 5142 1 11 . 1 1 32 32 THR HA H 25 3.970 3.970 4.452 -0.482 17827 5143 1 11 . 1 1 32 32 THR C C 25 177.437 177.437 176.204 1.233 17827 5144 1 11 . 1 1 32 32 THR CA C 25 66.470 66.470 63.245 3.225 17827 5145 1 11 . 1 1 32 32 THR CB C 25 68.220 68.220 69.205 -0.985 17827 5146 1 11 . 1 1 32 32 THR H H 25 8.245 8.245 8.572 -0.327 17827 5147 1 11 . 1 1 34 34 VAL N N 27 114.090 114.090 111.468 2.622 17827 5148 1 11 . 1 1 34 34 VAL HA H 27 4.500 4.500 4.135 0.365 17827 5149 1 11 . 1 1 34 34 VAL CA C 27 54.220 54.220 62.197 -7.977 17827 5150 1 11 . 1 1 34 34 VAL CB C 27 27.060 27.060 32.995 -5.935 17827 5151 1 11 . 1 1 34 34 VAL H H 27 6.977 6.977 7.459 -0.482 17827 5152 1 11 . 1 1 35 35 ASN N N 28 116.829 116.829 115.899 0.930 17827 5153 1 11 . 1 1 35 35 ASN HA H 28 4.299 4.299 4.517 -0.218 17827 5154 1 11 . 1 1 35 35 ASN CA C 28 53.650 53.650 53.993 -0.343 17827 5155 1 11 . 1 1 35 35 ASN CB C 28 37.110 37.110 37.953 -0.843 17827 5156 1 11 . 1 1 35 35 ASN H H 28 7.897 7.897 8.479 -0.582 17827 5157 1 11 . 1 1 36 36 ARG N N 29 114.310 114.310 118.757 -4.447 17827 5158 1 11 . 1 1 36 36 ARG HA H 29 4.700 4.700 4.611 0.089 17827 5159 1 11 . 1 1 36 36 ARG C C 29 173.347 173.347 174.226 -0.879 17827 5160 1 11 . 1 1 36 36 ARG CA C 29 54.900 54.900 55.725 -0.825 17827 5161 1 11 . 1 1 36 36 ARG CB C 29 34.700 34.700 31.577 3.123 17827 5162 1 11 . 1 1 36 36 ARG H H 29 6.787 6.787 8.066 -1.279 17827 5163 1 11 . 1 1 37 37 ASP N N 30 124.071 124.071 118.028 6.043 17827 5164 1 11 . 1 1 37 37 ASP HA H 30 5.475 5.475 4.691 0.784 17827 5165 1 11 . 1 1 37 37 ASP C C 30 175.354 175.354 174.720 0.634 17827 5166 1 11 . 1 1 37 37 ASP CA C 30 53.660 53.660 53.217 0.443 17827 5167 1 11 . 1 1 37 37 ASP CB C 30 42.260 42.260 42.995 -0.735 17827 5168 1 11 . 1 1 37 37 ASP H H 30 8.760 8.760 8.356 0.404 17827 5169 1 11 . 1 1 38 38 VAL N N 31 123.300 123.300 118.119 5.181 17827 5170 1 11 . 1 1 38 38 VAL HA H 31 4.270 4.270 4.482 -0.212 17827 5171 1 11 . 1 1 38 38 VAL C C 31 174.203 174.203 174.460 -0.257 17827 5172 1 11 . 1 1 38 38 VAL CA C 31 60.700 60.700 59.873 0.827 17827 5173 1 11 . 1 1 38 38 VAL CB C 31 34.620 34.620 36.163 -1.543 17827 5174 1 11 . 1 1 38 38 VAL H H 31 9.187 9.187 7.969 1.218 17827 5175 1 11 . 1 1 39 39 THR N N 32 119.766 119.766 113.865 5.901 17827 5176 1 11 . 1 1 39 39 THR HA H 32 5.095 5.095 4.937 0.158 17827 5177 1 11 . 1 1 39 39 THR C C 32 173.547 173.547 173.054 0.493 17827 5178 1 11 . 1 1 39 39 THR CA C 32 60.550 60.550 60.202 0.348 17827 5179 1 11 . 1 1 39 39 THR CB C 32 70.170 70.170 71.118 -0.948 17827 5180 1 11 . 1 1 39 39 THR H H 32 8.360 8.360 8.075 0.285 17827 5181 1 11 . 1 1 40 40 LEU N N 33 124.522 124.522 122.502 2.020 17827 5182 1 11 . 1 1 40 40 LEU HA H 33 4.590 4.590 4.625 -0.035 17827 5183 1 11 . 1 1 40 40 LEU C C 33 174.691 174.691 175.722 -1.031 17827 5184 1 11 . 1 1 40 40 LEU CA C 33 52.580 52.580 53.705 -1.125 17827 5185 1 11 . 1 1 40 40 LEU CB C 33 45.410 45.410 44.345 1.065 17827 5186 1 11 . 1 1 40 40 LEU H H 33 8.750 8.750 8.122 0.628 17827 5187 1 11 . 1 1 41 41 ARG N N 34 122.712 122.712 124.742 -2.030 17827 5188 1 11 . 1 1 41 41 ARG HA H 34 4.680 4.680 4.695 -0.015 17827 5189 1 11 . 1 1 41 41 ARG C C 34 175.700 175.700 174.372 1.328 17827 5190 1 11 . 1 1 41 41 ARG CA C 34 55.420 55.420 55.385 0.035 17827 5191 1 11 . 1 1 41 41 ARG CB C 34 29.500 29.500 29.600 -0.100 17827 5192 1 11 . 1 1 41 41 ARG H H 34 8.345 8.345 8.739 -0.394 17827 5193 1 11 . 1 1 42 42 VAL N N 35 117.728 117.728 120.482 -2.754 17827 5194 1 11 . 1 1 42 42 VAL HA H 35 4.465 4.465 4.452 0.013 17827 5195 1 11 . 1 1 42 42 VAL C C 35 173.184 173.184 173.511 -0.327 17827 5196 1 11 . 1 1 42 42 VAL CA C 35 58.670 58.670 60.057 -1.387 17827 5197 1 11 . 1 1 42 42 VAL CB C 35 36.050 36.050 35.476 0.574 17827 5198 1 11 . 1 1 42 42 VAL H H 35 8.640 8.640 7.744 0.896 17827 5199 1 11 . 1 1 43 43 THR N N 36 104.359 104.359 107.757 -3.398 17827 5200 1 11 . 1 1 43 43 THR HA H 36 4.660 4.660 2.552 2.108 17827 5201 1 11 . 1 1 43 43 THR C C 36 174.862 174.862 175.044 -0.182 17827 5202 1 11 . 1 1 43 43 THR CA C 36 59.010 59.010 59.106 -0.096 17827 5203 1 11 . 1 1 43 43 THR CB C 36 71.570 71.570 71.262 0.308 17827 5204 1 11 . 1 1 43 43 THR H H 36 6.220 6.220 7.710 -1.490 17827 5205 1 11 . 1 1 44 44 GLY N N 37 105.946 105.946 106.642 -0.696 17827 5206 1 11 . 1 1 44 44 GLY C C 37 173.394 173.394 174.587 -1.193 17827 5207 1 11 . 1 1 44 44 GLY CA C 37 46.830 46.830 46.746 0.084 17827 5208 1 11 . 1 1 44 44 GLY H H 37 9.160 9.160 8.715 0.445 17827 5209 1 11 . 1 1 45 45 GLU N N 38 113.875 113.875 117.640 -3.765 17827 5210 1 11 . 1 1 45 45 GLU HA H 38 4.290 4.290 4.351 -0.061 17827 5211 1 11 . 1 1 45 45 GLU C C 38 176.167 176.167 176.696 -0.529 17827 5212 1 11 . 1 1 45 45 GLU CA C 38 55.500 55.500 56.069 -0.569 17827 5213 1 11 . 1 1 45 45 GLU CB C 38 30.950 30.950 30.107 0.843 17827 5214 1 11 . 1 1 45 45 GLU H H 38 7.500 7.500 7.336 0.164 17827 5215 1 11 . 1 1 46 46 VAL N N 39 121.577 121.577 122.104 -0.527 17827 5216 1 11 . 1 1 46 46 VAL HA H 39 3.820 3.820 4.014 -0.194 17827 5217 1 11 . 1 1 46 46 VAL C C 39 174.651 174.651 175.274 -0.623 17827 5218 1 11 . 1 1 46 46 VAL CA C 39 63.920 63.920 61.993 1.927 17827 5219 1 11 . 1 1 46 46 VAL CB C 39 31.590 31.590 33.126 -1.536 17827 5220 1 11 . 1 1 46 46 VAL H H 39 7.260 7.260 7.484 -0.224 17827 5221 1 11 . 1 1 47 47 HIS N N 40 123.391 123.391 125.868 -2.477 17827 5222 1 11 . 1 1 47 47 HIS HA H 40 5.212 5.212 4.611 0.601 17827 5223 1 11 . 1 1 47 47 HIS C C 40 177.440 177.440 176.566 0.874 17827 5224 1 11 . 1 1 47 47 HIS CA C 40 54.660 54.660 56.148 -1.488 17827 5225 1 11 . 1 1 47 47 HIS CB C 40 30.910 30.910 31.417 -0.507 17827 5226 1 11 . 1 1 47 47 HIS H H 40 8.285 8.285 8.386 -0.101 17827 5227 1 11 . 1 1 48 48 ILE N N 41 124.071 124.071 124.506 -0.435 17827 5228 1 11 . 1 1 48 48 ILE HA H 41 3.530 3.530 3.802 -0.272 17827 5229 1 11 . 1 1 48 48 ILE C C 41 178.941 178.941 177.695 1.246 17827 5230 1 11 . 1 1 48 48 ILE CA C 41 62.330 62.330 65.454 -3.123 17827 5231 1 11 . 1 1 48 48 ILE CB C 41 34.230 34.230 37.890 -3.660 17827 5232 1 11 . 1 1 48 48 ILE H H 41 8.863 8.863 8.448 0.415 17827 5233 1 11 . 1 1 49 49 GLY N N 42 106.853 106.853 104.611 2.242 17827 5234 1 11 . 1 1 49 49 GLY C C 42 175.669 175.669 175.548 0.121 17827 5235 1 11 . 1 1 49 49 GLY CA C 42 45.320 45.320 46.296 -0.976 17827 5236 1 11 . 1 1 49 49 GLY H H 42 9.720 9.720 8.720 1.000 17827 5237 1 11 . 1 1 50 50 GLY N N 43 109.571 109.571 109.236 0.335 17827 5238 1 11 . 1 1 50 50 GLY C C 43 175.847 175.847 175.532 0.315 17827 5239 1 11 . 1 1 50 50 GLY CA C 43 47.000 47.000 45.750 1.250 17827 5240 1 11 . 1 1 50 50 GLY H H 43 6.950 6.950 8.250 -1.300 17827 5241 1 11 . 1 1 51 51 VAL N N 44 123.163 123.163 124.785 -1.622 17827 5242 1 11 . 1 1 51 51 VAL HA H 44 3.115 3.115 3.673 -0.558 17827 5243 1 11 . 1 1 51 51 VAL C C 44 176.804 176.804 177.888 -1.084 17827 5244 1 11 . 1 1 51 51 VAL CA C 44 66.660 66.660 66.711 -0.051 17827 5245 1 11 . 1 1 51 51 VAL CB C 44 30.730 30.730 31.810 -1.080 17827 5246 1 11 . 1 1 51 51 VAL H H 44 7.860 7.860 8.698 -0.838 17827 5247 1 11 . 1 1 52 52 MET N N 45 115.913 115.913 117.633 -1.720 17827 5248 1 11 . 1 1 52 52 MET HA H 45 3.410 3.410 3.938 -0.528 17827 5249 1 11 . 1 1 52 52 MET C C 45 176.881 176.881 178.070 -1.189 17827 5250 1 11 . 1 1 52 52 MET CA C 45 59.830 59.830 59.475 0.355 17827 5251 1 11 . 1 1 52 52 MET CB C 45 32.310 32.310 31.298 1.012 17827 5252 1 11 . 1 1 52 52 MET H H 45 7.940 7.940 7.833 0.107 17827 5253 1 11 . 1 1 53 53 LEU N N 46 118.291 118.291 121.319 -3.028 17827 5254 1 11 . 1 1 53 53 LEU HA H 46 3.940 3.940 4.035 -0.095 17827 5255 1 11 . 1 1 53 53 LEU C C 46 179.178 179.178 179.444 -0.266 17827 5256 1 11 . 1 1 53 53 LEU CA C 46 58.500 58.500 57.925 0.575 17827 5257 1 11 . 1 1 53 53 LEU CB C 46 41.930 41.930 41.195 0.735 17827 5258 1 11 . 1 1 53 53 LEU H H 46 7.550 7.550 7.738 -0.188 17827 5259 1 11 . 1 1 54 54 LYS N N 47 118.142 118.142 119.049 -0.907 17827 5260 1 11 . 1 1 54 54 LYS HA H 47 3.870 3.870 4.032 -0.162 17827 5261 1 11 . 1 1 54 54 LYS C C 47 178.616 178.616 179.247 -0.631 17827 5262 1 11 . 1 1 54 54 LYS CA C 47 57.980 57.980 59.111 -1.131 17827 5263 1 11 . 1 1 54 54 LYS CB C 47 32.320 32.320 32.059 0.261 17827 5264 1 11 . 1 1 54 54 LYS H H 47 7.665 7.665 8.538 -0.873 17827 5265 1 11 . 1 1 55 55 LEU N N 48 119.385 119.385 120.577 -1.192 17827 5266 1 11 . 1 1 55 55 LEU HA H 48 3.570 3.570 4.261 -0.691 17827 5267 1 11 . 1 1 55 55 LEU C C 48 177.405 177.405 177.808 -0.403 17827 5268 1 11 . 1 1 55 55 LEU CA C 48 57.790 57.790 57.678 0.112 17827 5269 1 11 . 1 1 55 55 LEU CB C 48 41.590 41.590 42.142 -0.552 17827 5270 1 11 . 1 1 55 55 LEU H H 48 7.975 7.975 7.880 0.095 17827 5271 1 11 . 1 1 56 56 VAL N N 49 116.141 116.141 119.164 -3.023 17827 5272 1 11 . 1 1 56 56 VAL HA H 49 2.990 2.990 3.648 -0.658 17827 5273 1 11 . 1 1 56 56 VAL C C 49 178.564 178.564 178.236 0.328 17827 5274 1 11 . 1 1 56 56 VAL CA C 49 66.310 66.310 66.554 -0.244 17827 5275 1 11 . 1 1 56 56 VAL CB C 49 31.300 31.300 31.299 0.001 17827 5276 1 11 . 1 1 56 56 VAL H H 49 7.615 7.615 8.922 -1.307 17827 5277 1 11 . 1 1 57 57 GLU N N 50 118.631 118.631 117.861 0.770 17827 5278 1 11 . 1 1 57 57 GLU HA H 50 3.965 3.965 4.102 -0.137 17827 5279 1 11 . 1 1 57 57 GLU C C 50 178.030 178.030 177.894 0.136 17827 5280 1 11 . 1 1 57 57 GLU CA C 50 58.500 58.500 58.788 -0.287 17827 5281 1 11 . 1 1 57 57 GLU CB C 50 29.610 29.610 29.750 -0.140 17827 5282 1 11 . 1 1 57 57 GLU H H 50 7.575 7.575 8.662 -1.087 17827 5283 1 11 . 1 1 58 58 LYS N N 51 117.053 117.053 118.547 -1.494 17827 5284 1 11 . 1 1 58 58 LYS HA H 51 4.130 4.130 4.070 0.060 17827 5285 1 11 . 1 1 58 58 LYS C C 51 176.956 176.956 177.858 -0.902 17827 5286 1 11 . 1 1 58 58 LYS CA C 51 56.660 56.660 58.051 -1.391 17827 5287 1 11 . 1 1 58 58 LYS CB C 51 32.660 32.660 32.808 -0.148 17827 5288 1 11 . 1 1 58 58 LYS H H 51 7.490 7.490 7.441 0.049 17827 5289 1 11 . 1 1 59 59 LEU N N 52 119.460 119.460 119.759 -0.299 17827 5290 1 11 . 1 1 59 59 LEU HA H 52 4.122 4.122 4.028 0.094 17827 5291 1 11 . 1 1 59 59 LEU C C 52 176.645 176.645 175.816 0.829 17827 5292 1 11 . 1 1 59 59 LEU CA C 52 56.660 56.660 56.095 0.565 17827 5293 1 11 . 1 1 59 59 LEU CB C 52 42.700 42.700 42.411 0.289 17827 5294 1 11 . 1 1 59 59 LEU H H 52 7.470 7.470 7.982 -0.512 17827 5295 1 11 . 1 1 62 62 LYS C C 55 175.670 175.670 174.751 0.919 17827 5296 1 11 . 1 1 63 63 LYS N N 56 122.430 122.430 120.408 2.022 17827 5297 1 11 . 1 1 63 63 LYS HA H 56 4.030 4.030 4.157 -0.127 17827 5298 1 11 . 1 1 63 63 LYS C C 56 172.850 172.850 175.340 -2.490 17827 5299 1 11 . 1 1 63 63 LYS CA C 56 54.530 54.530 55.655 -1.125 17827 5300 1 11 . 1 1 63 63 LYS CB C 56 34.440 34.440 32.899 1.541 17827 5301 1 11 . 1 1 63 63 LYS H H 56 7.245 7.245 7.797 -0.552 17827 5302 1 11 . 1 1 64 64 ASP N N 57 118.867 118.867 122.848 -3.981 17827 5303 1 11 . 1 1 64 64 ASP HA H 57 4.530 4.530 4.263 0.267 17827 5304 1 11 . 1 1 64 64 ASP C C 57 176.710 176.710 175.047 1.663 17827 5305 1 11 . 1 1 64 64 ASP CA C 57 52.500 52.500 52.789 -0.289 17827 5306 1 11 . 1 1 64 64 ASP CB C 57 40.320 40.320 42.967 -2.647 17827 5307 1 11 . 1 1 64 64 ASP H H 57 7.867 7.867 8.359 -0.492 17827 5308 1 11 . 1 1 65 65 TRP N N 58 128.827 128.827 120.087 8.740 17827 5309 1 11 . 1 1 65 65 TRP HA H 58 4.540 4.540 4.752 -0.212 17827 5310 1 11 . 1 1 65 65 TRP C C 58 178.390 178.390 176.259 2.131 17827 5311 1 11 . 1 1 65 65 TRP CA C 58 52.860 52.860 57.948 -5.088 17827 5312 1 11 . 1 1 65 65 TRP CB C 58 29.420 29.420 28.967 0.453 17827 5313 1 11 . 1 1 65 65 TRP H H 58 8.790 8.790 7.948 0.842 17827 5314 1 11 . 1 1 66 66 SER N N 59 117.724 117.724 115.227 2.497 17827 5315 1 11 . 1 1 66 66 SER HA H 59 4.143 4.143 4.352 -0.209 17827 5316 1 11 . 1 1 66 66 SER C C 59 174.471 174.471 174.353 0.118 17827 5317 1 11 . 1 1 66 66 SER CA C 59 62.350 62.350 59.916 2.434 17827 5318 1 11 . 1 1 66 66 SER CB C 59 63.110 63.110 63.201 -0.091 17827 5319 1 11 . 1 1 66 66 SER H H 59 8.637 8.637 8.188 0.449 17827 5320 1 11 . 1 1 67 67 ASP N N 60 121.042 121.042 120.422 0.620 17827 5321 1 11 . 1 1 67 67 ASP C C 60 176.206 176.206 175.589 0.617 17827 5322 1 11 . 1 1 67 67 ASP CB C 60 42.560 42.560 41.143 1.417 17827 5323 1 11 . 1 1 67 67 ASP H H 60 8.895 8.895 8.035 0.860 17827 5324 1 11 . 1 1 68 68 HIS N N 61 121.519 121.519 115.777 5.742 17827 5325 1 11 . 1 1 68 68 HIS HA H 61 4.490 4.490 4.253 0.237 17827 5326 1 11 . 1 1 68 68 HIS C C 61 174.546 174.546 173.884 0.662 17827 5327 1 11 . 1 1 68 68 HIS CA C 61 57.940 57.940 55.672 2.268 17827 5328 1 11 . 1 1 68 68 HIS CB C 61 39.410 39.410 30.692 8.718 17827 5329 1 11 . 1 1 68 68 HIS H H 61 7.958 7.958 6.940 1.018 17827 5330 1 11 . 1 1 69 69 ALA N N 62 122.256 122.256 119.501 2.755 17827 5331 1 11 . 1 1 69 69 ALA C C 62 175.294 175.294 174.671 0.623 17827 5332 1 11 . 1 1 69 69 ALA CB C 62 22.470 22.470 22.391 0.079 17827 5333 1 11 . 1 1 69 69 ALA H H 62 8.575 8.575 8.155 0.420 17827 5334 1 11 . 1 1 70 70 LEU N N 63 118.904 118.904 120.607 -1.703 17827 5335 1 11 . 1 1 70 70 LEU HA H 63 5.654 5.654 4.915 0.739 17827 5336 1 11 . 1 1 70 70 LEU C C 63 174.445 174.445 176.516 -2.071 17827 5337 1 11 . 1 1 70 70 LEU CA C 63 53.930 53.930 53.066 0.864 17827 5338 1 11 . 1 1 70 70 LEU CB C 63 44.300 44.300 42.834 1.466 17827 5339 1 11 . 1 1 70 70 LEU H H 63 9.150 9.150 8.635 0.515 17827 5340 1 11 . 1 1 71 71 TRP N N 64 125.367 125.367 126.893 -1.526 17827 5341 1 11 . 1 1 71 71 TRP C C 64 174.010 174.010 175.168 -1.158 17827 5342 1 11 . 1 1 71 71 TRP CB C 64 32.210 32.210 30.909 1.301 17827 5343 1 11 . 1 1 71 71 TRP H H 64 9.590 9.590 8.634 0.956 17827 5344 1 11 . 1 1 72 72 TRP N N 65 129.982 129.982 129.886 0.096 17827 5345 1 11 . 1 1 72 72 TRP HA H 65 4.980 4.980 4.923 0.057 17827 5346 1 11 . 1 1 72 72 TRP C C 65 174.335 174.335 176.390 -2.055 17827 5347 1 11 . 1 1 72 72 TRP CA C 65 51.440 51.440 54.289 -2.849 17827 5348 1 11 . 1 1 72 72 TRP CB C 65 30.490 30.490 29.716 0.774 17827 5349 1 11 . 1 1 72 72 TRP H H 65 8.277 8.277 9.232 -0.955 17827 5350 1 11 . 1 1 73 73 GLU N N 66 129.112 129.112 128.039 1.073 17827 5351 1 11 . 1 1 73 73 GLU HA H 66 3.300 3.300 3.889 -0.589 17827 5352 1 11 . 1 1 73 73 GLU C C 66 178.595 178.595 177.602 0.993 17827 5353 1 11 . 1 1 73 73 GLU CA C 66 59.920 59.920 59.382 0.538 17827 5354 1 11 . 1 1 73 73 GLU CB C 66 29.060 29.060 29.131 -0.071 17827 5355 1 11 . 1 1 73 73 GLU H H 66 8.969 8.969 9.014 -0.045 17827 5356 1 11 . 1 1 74 74 LYS N N 67 117.492 117.492 120.296 -2.804 17827 5357 1 11 . 1 1 74 74 LYS HA H 67 3.702 3.702 3.845 -0.143 17827 5358 1 11 . 1 1 74 74 LYS C C 67 176.361 176.361 177.567 -1.206 17827 5359 1 11 . 1 1 74 74 LYS CA C 67 58.660 58.660 59.134 -0.474 17827 5360 1 11 . 1 1 74 74 LYS CB C 67 32.020 32.020 31.644 0.376 17827 5361 1 11 . 1 1 74 74 LYS H H 67 7.860 7.860 8.427 -0.567 17827 5362 1 11 . 1 1 75 75 LYS N N 68 121.233 121.233 115.443 5.790 17827 5363 1 11 . 1 1 75 75 LYS HA H 68 3.935 3.935 4.030 -0.095 17827 5364 1 11 . 1 1 75 75 LYS C C 68 174.183 174.183 176.142 -1.959 17827 5365 1 11 . 1 1 75 75 LYS CA C 68 53.400 53.400 54.902 -1.502 17827 5366 1 11 . 1 1 75 75 LYS CB C 68 32.200 32.200 31.735 0.465 17827 5367 1 11 . 1 1 75 75 LYS H H 68 7.500 7.500 7.334 0.166 17827 5368 1 11 . 1 1 76 76 ARG N N 69 121.125 121.125 116.838 4.287 17827 5369 1 11 . 1 1 76 76 ARG HA H 69 2.890 2.890 4.393 -1.503 17827 5370 1 11 . 1 1 76 76 ARG C C 69 173.984 173.984 175.632 -1.648 17827 5371 1 11 . 1 1 76 76 ARG CA C 69 56.316 56.316 57.322 -1.006 17827 5372 1 11 . 1 1 76 76 ARG CB C 69 27.090 27.090 27.478 -0.388 17827 5373 1 11 . 1 1 76 76 ARG H H 69 7.500 7.500 8.345 -0.845 17827 5374 1 11 . 1 1 77 77 THR N N 70 110.478 110.478 112.397 -1.919 17827 5375 1 11 . 1 1 77 77 THR HA H 70 4.650 4.650 3.981 0.669 17827 5376 1 11 . 1 1 77 77 THR C C 70 171.846 171.846 172.825 -0.979 17827 5377 1 11 . 1 1 77 77 THR CA C 70 61.630 61.630 59.377 2.253 17827 5378 1 11 . 1 1 77 77 THR CB C 70 72.210 72.210 70.832 1.378 17827 5379 1 11 . 1 1 77 77 THR H H 70 6.280 6.280 7.474 -1.194 17827 5380 1 11 . 1 1 78 78 TRP N N 71 127.244 127.244 123.251 3.993 17827 5381 1 11 . 1 1 78 78 TRP HA H 71 4.750 4.750 5.248 -0.498 17827 5382 1 11 . 1 1 78 78 TRP C C 71 177.303 177.303 176.131 1.172 17827 5383 1 11 . 1 1 78 78 TRP CA C 71 56.240 56.240 54.978 1.262 17827 5384 1 11 . 1 1 78 78 TRP CB C 71 30.500 30.500 30.442 0.058 17827 5385 1 11 . 1 1 78 78 TRP H H 71 8.795 8.795 7.212 1.583 17827 5386 1 11 . 1 1 79 79 LEU N N 72 125.202 125.202 122.302 2.900 17827 5387 1 11 . 1 1 79 79 LEU HA H 72 4.500 4.500 4.681 -0.181 17827 5388 1 11 . 1 1 79 79 LEU C C 72 175.667 175.667 176.491 -0.824 17827 5389 1 11 . 1 1 79 79 LEU CA C 72 52.510 52.510 54.235 -1.725 17827 5390 1 11 . 1 1 79 79 LEU CB C 72 38.240 38.240 40.970 -2.730 17827 5391 1 11 . 1 1 79 79 LEU H H 72 9.175 9.175 8.083 1.092 17827 5392 1 11 . 1 1 80 80 LEU N N 73 119.170 119.170 123.071 -3.901 17827 5393 1 11 . 1 1 80 80 LEU HA H 73 4.380 4.380 4.551 -0.171 17827 5394 1 11 . 1 1 80 80 LEU C C 73 178.139 178.139 176.791 1.348 17827 5395 1 11 . 1 1 80 80 LEU CA C 73 54.700 54.700 55.294 -0.593 17827 5396 1 11 . 1 1 80 80 LEU CB C 73 42.170 42.170 42.992 -0.822 17827 5397 1 11 . 1 1 80 80 LEU H H 73 7.280 7.280 8.420 -1.140 17827 5398 1 11 . 1 1 81 81 LYS N N 74 119.766 119.766 118.054 1.712 17827 5399 1 11 . 1 1 81 81 LYS HA H 74 4.435 4.435 4.402 0.033 17827 5400 1 11 . 1 1 81 81 LYS C C 74 176.601 176.601 176.979 -0.378 17827 5401 1 11 . 1 1 81 81 LYS CA C 74 54.660 54.660 56.423 -1.763 17827 5402 1 11 . 1 1 81 81 LYS CB C 74 28.540 28.540 33.619 -5.079 17827 5403 1 11 . 1 1 81 81 LYS H H 74 7.865 7.865 7.703 0.162 17827 5404 1 11 . 1 1 82 82 THR N N 75 115.636 115.636 115.700 -0.064 17827 5405 1 11 . 1 1 82 82 THR HA H 75 3.800 3.800 4.313 -0.513 17827 5406 1 11 . 1 1 82 82 THR C C 75 174.806 174.806 175.378 -0.572 17827 5407 1 11 . 1 1 82 82 THR CA C 75 64.650 64.650 65.224 -0.574 17827 5408 1 11 . 1 1 82 82 THR CB C 75 68.260 68.260 68.795 -0.535 17827 5409 1 11 . 1 1 82 82 THR H H 75 7.910 7.910 8.755 -0.845 17827 5410 1 11 . 1 1 83 83 HIS N N 76 116.767 116.767 120.331 -3.564 17827 5411 1 11 . 1 1 83 83 HIS C C 76 176.370 176.370 175.010 1.360 17827 5412 1 11 . 1 1 83 83 HIS CB C 76 30.210 30.210 29.357 0.853 17827 5413 1 11 . 1 1 83 83 HIS H H 76 8.965 8.965 8.619 0.346 17827 5414 1 11 . 1 1 84 84 TRP N N 77 123.905 123.905 119.060 4.845 17827 5415 1 11 . 1 1 84 84 TRP C C 77 175.584 175.584 175.438 0.146 17827 5416 1 11 . 1 1 84 84 TRP CB C 77 30.390 30.390 28.783 1.607 17827 5417 1 11 . 1 1 84 84 TRP H H 77 7.635 7.635 7.441 0.194 17827 5418 1 11 . 1 1 85 85 THR N N 78 108.440 108.440 116.193 -7.753 17827 5419 1 11 . 1 1 85 85 THR HA H 78 4.900 4.900 4.198 0.702 17827 5420 1 11 . 1 1 85 85 THR C C 78 175.691 175.691 175.932 -0.241 17827 5421 1 11 . 1 1 85 85 THR CA C 78 59.500 59.500 63.269 -3.769 17827 5422 1 11 . 1 1 85 85 THR CB C 78 70.600 70.600 69.475 1.125 17827 5423 1 11 . 1 1 85 85 THR H H 78 7.030 7.030 7.654 -0.624 17827 5424 1 11 . 1 1 86 86 LEU N N 79 119.766 119.766 120.803 -1.037 17827 5425 1 11 . 1 1 86 86 LEU HA H 79 4.040 4.040 4.165 -0.125 17827 5426 1 11 . 1 1 86 86 LEU C C 79 179.734 179.734 179.388 0.346 17827 5427 1 11 . 1 1 86 86 LEU CA C 79 58.750 58.750 57.966 0.784 17827 5428 1 11 . 1 1 86 86 LEU CB C 79 40.450 40.450 40.209 0.242 17827 5429 1 11 . 1 1 86 86 LEU H H 79 8.045 8.045 8.835 -0.790 17827 5430 1 11 . 1 1 87 87 ASP N N 80 118.407 118.407 118.864 -0.457 17827 5431 1 11 . 1 1 87 87 ASP HA H 80 4.440 4.440 4.367 0.073 17827 5432 1 11 . 1 1 87 87 ASP C C 80 179.152 179.152 178.169 0.983 17827 5433 1 11 . 1 1 87 87 ASP CA C 80 57.320 57.320 57.009 0.311 17827 5434 1 11 . 1 1 87 87 ASP CB C 80 40.320 40.320 40.595 -0.275 17827 5435 1 11 . 1 1 87 87 ASP H H 80 8.935 8.935 8.819 0.116 17827 5436 1 11 . 1 1 88 88 LYS N N 81 123.300 123.300 118.646 4.654 17827 5437 1 11 . 1 1 88 88 LYS HA H 81 3.700 3.700 3.825 -0.125 17827 5438 1 11 . 1 1 88 88 LYS C C 81 178.721 178.721 177.995 0.726 17827 5439 1 11 . 1 1 88 88 LYS CA C 81 59.020 59.020 58.925 0.095 17827 5440 1 11 . 1 1 88 88 LYS CB C 81 31.640 31.640 31.882 -0.242 17827 5441 1 11 . 1 1 88 88 LYS H H 81 8.055 8.055 8.121 -0.066 17827 5442 1 11 . 1 1 89 89 TYR N N 82 115.690 115.690 117.205 -1.515 17827 5443 1 11 . 1 1 89 89 TYR HA H 82 4.580 4.580 4.612 -0.032 17827 5444 1 11 . 1 1 89 89 TYR C C 82 176.164 176.164 175.824 0.340 17827 5445 1 11 . 1 1 89 89 TYR CA C 82 61.750 61.750 59.400 2.350 17827 5446 1 11 . 1 1 89 89 TYR CB C 82 40.750 40.750 39.274 1.476 17827 5447 1 11 . 1 1 89 89 TYR H H 82 7.730 7.730 7.675 0.055 17827 5448 1 11 . 1 1 90 90 GLY N N 83 108.212 108.212 106.933 1.279 17827 5449 1 11 . 1 1 90 90 GLY C C 83 174.555 174.555 174.468 0.087 17827 5450 1 11 . 1 1 90 90 GLY CA C 83 45.510 45.510 44.932 0.578 17827 5451 1 11 . 1 1 90 90 GLY H H 83 8.030 8.030 7.478 0.552 17827 5452 1 11 . 1 1 91 91 ILE N N 84 122.960 122.960 120.275 2.685 17827 5453 1 11 . 1 1 91 91 ILE HA H 84 3.370 3.370 4.236 -0.866 17827 5454 1 11 . 1 1 91 91 ILE C C 84 173.611 173.611 175.117 -1.506 17827 5455 1 11 . 1 1 91 91 ILE CA C 84 61.700 61.700 61.044 0.656 17827 5456 1 11 . 1 1 91 91 ILE CB C 84 37.610 37.610 39.351 -1.741 17827 5457 1 11 . 1 1 91 91 ILE H H 84 7.850 7.850 7.917 -0.067 17827 5458 1 11 . 1 1 92 92 GLN N N 85 125.429 125.429 123.707 1.722 17827 5459 1 11 . 1 1 92 92 GLN HA H 85 3.880 3.880 3.912 -0.032 17827 5460 1 11 . 1 1 92 92 GLN C C 85 174.756 174.756 175.085 -0.329 17827 5461 1 11 . 1 1 92 92 GLN CA C 85 53.720 53.720 54.841 -1.121 17827 5462 1 11 . 1 1 92 92 GLN CB C 85 31.150 31.150 30.769 0.381 17827 5463 1 11 . 1 1 92 92 GLN H H 85 7.700 7.700 8.158 -0.458 17827 5464 1 11 . 1 1 93 93 ALA N N 86 118.217 118.217 120.896 -2.679 17827 5465 1 11 . 1 1 93 93 ALA HA H 86 3.800 3.800 4.287 -0.487 17827 5466 1 11 . 1 1 93 93 ALA C C 86 177.201 177.201 177.353 -0.152 17827 5467 1 11 . 1 1 93 93 ALA CA C 86 54.080 54.080 53.193 0.887 17827 5468 1 11 . 1 1 93 93 ALA CB C 86 18.410 18.410 18.746 -0.336 17827 5469 1 11 . 1 1 93 93 ALA H H 86 6.886 6.886 8.097 -1.211 17827 5470 1 11 . 1 1 94 94 ASP N N 87 113.647 113.647 117.522 -3.875 17827 5471 1 11 . 1 1 94 94 ASP HA H 87 4.420 4.420 4.527 -0.107 17827 5472 1 11 . 1 1 94 94 ASP C C 87 176.218 176.218 175.224 0.994 17827 5473 1 11 . 1 1 94 94 ASP CA C 87 54.060 54.060 53.858 0.202 17827 5474 1 11 . 1 1 94 94 ASP CB C 87 39.600 39.600 41.010 -1.410 17827 5475 1 11 . 1 1 94 94 ASP H H 87 8.223 8.223 8.006 0.217 17827 5476 1 11 . 1 1 95 95 ALA N N 88 124.145 124.145 122.929 1.216 17827 5477 1 11 . 1 1 95 95 ALA HA H 88 4.306 4.306 4.559 -0.253 17827 5478 1 11 . 1 1 95 95 ALA C C 88 176.630 176.630 176.197 0.433 17827 5479 1 11 . 1 1 95 95 ALA CA C 88 53.320 53.320 51.576 1.744 17827 5480 1 11 . 1 1 95 95 ALA CB C 88 20.020 20.020 19.555 0.465 17827 5481 1 11 . 1 1 95 95 ALA H H 88 7.941 7.941 7.108 0.833 17827 5482 1 11 . 1 1 96 96 LYS N N 89 120.897 120.897 126.359 -5.462 17827 5483 1 11 . 1 1 96 96 LYS HA H 89 4.826 4.826 4.812 0.014 17827 5484 1 11 . 1 1 96 96 LYS C C 89 176.161 176.161 176.182 -0.021 17827 5485 1 11 . 1 1 96 96 LYS CA C 89 54.736 54.736 55.100 -0.364 17827 5486 1 11 . 1 1 96 96 LYS CB C 89 32.390 32.390 32.355 0.035 17827 5487 1 11 . 1 1 96 96 LYS H H 89 8.500 8.500 8.589 -0.089 17827 5488 1 11 . 1 1 97 97 LEU N N 90 122.960 122.960 124.140 -1.180 17827 5489 1 11 . 1 1 97 97 LEU HA H 90 5.075 5.075 4.430 0.645 17827 5490 1 11 . 1 1 97 97 LEU C C 90 176.394 176.394 177.264 -0.870 17827 5491 1 11 . 1 1 97 97 LEU CA C 90 53.060 53.060 54.639 -1.579 17827 5492 1 11 . 1 1 97 97 LEU CB C 90 44.850 44.850 42.974 1.876 17827 5493 1 11 . 1 1 97 97 LEU H H 90 8.566 8.566 8.864 -0.298 17827 5494 1 11 . 1 1 98 98 GLN N N 91 119.538 119.538 116.033 3.505 17827 5495 1 11 . 1 1 98 98 GLN HA H 91 5.710 5.710 4.912 0.798 17827 5496 1 11 . 1 1 98 98 GLN C C 91 174.144 174.144 174.666 -0.522 17827 5497 1 11 . 1 1 98 98 GLN CA C 91 54.360 54.360 54.750 -0.390 17827 5498 1 11 . 1 1 98 98 GLN CB C 91 32.290 32.290 32.955 -0.665 17827 5499 1 11 . 1 1 98 98 GLN H H 91 9.060 9.060 8.138 0.922 17827 5500 1 11 . 1 1 99 99 PHE N N 92 125.674 125.674 120.475 5.199 17827 5501 1 11 . 1 1 99 99 PHE HA H 92 5.700 5.700 5.338 0.362 17827 5502 1 11 . 1 1 99 99 PHE C C 92 174.537 174.537 174.093 0.444 17827 5503 1 11 . 1 1 99 99 PHE CA C 92 54.190 54.190 56.584 -2.394 17827 5504 1 11 . 1 1 99 99 PHE CB C 92 41.080 41.080 43.680 -2.600 17827 5505 1 11 . 1 1 99 99 PHE H H 92 9.290 9.290 9.718 -0.428 17827 5506 1 11 . 1 1 100 100 THR N N 93 124.543 124.543 117.848 6.695 17827 5507 1 11 . 1 1 100 100 THR HA H 93 5.100 5.100 4.908 0.192 17827 5508 1 11 . 1 1 100 100 THR C C 93 180.164 180.164 171.741 8.423 17827 5509 1 11 . 1 1 100 100 THR CA C 93 58.830 58.830 58.851 -0.021 17827 5510 1 11 . 1 1 100 100 THR CB C 93 73.610 73.610 71.119 2.491 17827 5511 1 11 . 1 1 100 100 THR H H 93 8.945 8.945 8.649 0.296 17827 5512 1 12 . 1 1 9 9 ALA N N 2 124.336 124.336 122.488 1.848 17827 5513 1 12 . 1 1 9 9 ALA HA H 2 4.210 4.210 4.121 0.089 17827 5514 1 12 . 1 1 9 9 ALA C C 2 177.598 177.598 176.810 0.788 17827 5515 1 12 . 1 1 9 9 ALA CA C 2 52.440 52.440 51.956 0.484 17827 5516 1 12 . 1 1 9 9 ALA CB C 2 19.030 19.030 18.098 0.932 17827 5517 1 12 . 1 1 9 9 ALA H H 2 8.018 8.018 8.245 -0.227 17827 5518 1 12 . 1 1 10 10 LEU N N 3 121.125 121.125 120.470 0.655 17827 5519 1 12 . 1 1 10 10 LEU HA H 3 4.210 4.210 3.999 0.211 17827 5520 1 12 . 1 1 10 10 LEU C C 3 177.094 177.094 177.874 -0.780 17827 5521 1 12 . 1 1 10 10 LEU CA C 3 55.320 55.320 56.579 -1.259 17827 5522 1 12 . 1 1 10 10 LEU CB C 3 42.170 42.170 41.976 0.194 17827 5523 1 12 . 1 1 10 10 LEU H H 3 8.057 8.057 8.325 -0.268 17827 5524 1 12 . 1 1 11 11 ASP N N 4 119.766 119.766 117.173 2.593 17827 5525 1 12 . 1 1 11 11 ASP HA H 4 4.475 4.475 4.585 -0.110 17827 5526 1 12 . 1 1 11 11 ASP C C 4 176.509 176.509 177.118 -0.609 17827 5527 1 12 . 1 1 11 11 ASP CA C 4 54.550 54.550 54.911 -0.361 17827 5528 1 12 . 1 1 11 11 ASP CB C 4 40.950 40.950 42.107 -1.157 17827 5529 1 12 . 1 1 11 11 ASP H H 4 8.145 8.145 8.154 -0.009 17827 5530 1 12 . 1 1 12 12 GLY N N 5 108.440 108.440 106.600 1.840 17827 5531 1 12 . 1 1 12 12 GLY C C 5 173.692 173.692 173.926 -0.234 17827 5532 1 12 . 1 1 12 12 GLY CA C 5 45.310 45.310 45.512 -0.202 17827 5533 1 12 . 1 1 12 12 GLY H H 5 8.110 8.110 8.450 -0.340 17827 5534 1 12 . 1 1 13 13 ILE N N 6 119.766 119.766 121.339 -1.573 17827 5535 1 12 . 1 1 13 13 ILE HA H 6 4.100 4.100 4.538 -0.438 17827 5536 1 12 . 1 1 13 13 ILE C C 6 175.525 175.525 175.300 0.225 17827 5537 1 12 . 1 1 13 13 ILE CA C 6 60.710 60.710 59.937 0.773 17827 5538 1 12 . 1 1 13 13 ILE CB C 6 38.430 38.430 39.407 -0.977 17827 5539 1 12 . 1 1 13 13 ILE H H 6 7.790 7.790 7.609 0.181 17827 5540 1 12 . 1 1 14 14 ARG N N 7 125.657 125.657 118.040 7.617 17827 5541 1 12 . 1 1 14 14 ARG HA H 7 4.210 4.210 4.331 -0.121 17827 5542 1 12 . 1 1 14 14 ARG C C 7 175.810 175.810 175.173 0.637 17827 5543 1 12 . 1 1 14 14 ARG CA C 7 55.640 55.640 56.505 -0.865 17827 5544 1 12 . 1 1 14 14 ARG CB C 7 30.990 30.990 31.992 -1.002 17827 5545 1 12 . 1 1 14 14 ARG H H 7 8.410 8.410 8.394 0.016 17827 5546 1 12 . 1 1 15 15 MET N N 8 123.598 123.598 117.454 6.144 17827 5547 1 12 . 1 1 15 15 MET HA H 8 4.210 4.210 4.926 -0.716 17827 5548 1 12 . 1 1 15 15 MET C C 8 174.950 174.950 174.851 0.099 17827 5549 1 12 . 1 1 15 15 MET CA C 8 55.330 55.330 53.998 1.332 17827 5550 1 12 . 1 1 15 15 MET CB C 8 31.730 31.730 31.863 -0.133 17827 5551 1 12 . 1 1 15 15 MET H H 8 8.495 8.495 7.566 0.929 17827 5552 1 12 . 1 1 16 16 PRO HA H 9 4.290 4.290 4.413 -0.123 17827 5553 1 12 . 1 1 16 16 PRO C C 9 176.228 176.228 175.945 0.283 17827 5554 1 12 . 1 1 16 16 PRO CA C 9 63.370 63.370 64.350 -0.981 17827 5555 1 12 . 1 1 16 16 PRO CB C 9 31.820 31.820 30.180 1.639 17827 5556 1 12 . 1 1 17 17 ASP N N 10 117.952 117.952 116.481 1.471 17827 5557 1 12 . 1 1 17 17 ASP HA H 10 4.420 4.420 4.719 -0.299 17827 5558 1 12 . 1 1 17 17 ASP C C 10 176.714 176.714 176.163 0.551 17827 5559 1 12 . 1 1 17 17 ASP CA C 10 54.130 54.130 52.923 1.207 17827 5560 1 12 . 1 1 17 17 ASP CB C 10 40.430 40.430 41.700 -1.270 17827 5561 1 12 . 1 1 17 17 ASP H H 10 8.076 8.076 8.324 -0.248 17827 5562 1 12 . 1 1 18 18 GLY N N 11 108.663 108.663 106.193 2.470 17827 5563 1 12 . 1 1 18 18 GLY C C 11 173.819 173.819 174.671 -0.852 17827 5564 1 12 . 1 1 18 18 GLY CA C 11 45.300 45.300 45.807 -0.507 17827 5565 1 12 . 1 1 18 18 GLY H H 11 8.255 8.255 7.748 0.507 17827 5566 1 12 . 1 1 19 19 CYS N N 12 118.179 118.179 121.035 -2.856 17827 5567 1 12 . 1 1 19 19 CYS HA H 12 4.550 4.550 4.175 0.375 17827 5568 1 12 . 1 1 19 19 CYS C C 12 174.073 174.073 175.012 -0.939 17827 5569 1 12 . 1 1 19 19 CYS CA C 12 58.420 58.420 60.779 -2.359 17827 5570 1 12 . 1 1 19 19 CYS CB C 12 28.400 28.400 27.075 1.325 17827 5571 1 12 . 1 1 19 19 CYS H H 12 7.850 7.850 8.415 -0.565 17827 5572 1 12 . 1 1 20 20 TYR N N 13 120.897 120.897 120.061 0.836 17827 5573 1 12 . 1 1 20 20 TYR HA H 13 4.550 4.550 4.421 0.129 17827 5574 1 12 . 1 1 20 20 TYR C C 13 176.748 176.748 175.972 0.776 17827 5575 1 12 . 1 1 20 20 TYR CA C 13 58.470 58.470 58.774 -0.304 17827 5576 1 12 . 1 1 20 20 TYR CB C 13 39.210 39.210 39.009 0.201 17827 5577 1 12 . 1 1 20 20 TYR H H 13 8.550 8.550 7.930 0.620 17827 5578 1 12 . 1 1 21 21 ALA N N 14 124.750 124.750 122.933 1.817 17827 5579 1 12 . 1 1 21 21 ALA HA H 14 4.190 4.190 4.189 0.001 17827 5580 1 12 . 1 1 21 21 ALA C C 14 177.181 177.181 178.161 -0.980 17827 5581 1 12 . 1 1 21 21 ALA CA C 14 53.530 53.530 53.423 0.107 17827 5582 1 12 . 1 1 21 21 ALA CB C 14 18.630 18.630 19.508 -0.878 17827 5583 1 12 . 1 1 21 21 ALA H H 14 8.615 8.615 8.571 0.044 17827 5584 1 12 . 1 1 22 22 ASP N N 15 117.500 117.500 118.788 -1.288 17827 5585 1 12 . 1 1 22 22 ASP HA H 15 4.480 4.480 4.617 -0.137 17827 5586 1 12 . 1 1 22 22 ASP C C 15 176.708 176.708 177.846 -1.138 17827 5587 1 12 . 1 1 22 22 ASP CA C 15 53.500 53.500 54.787 -1.287 17827 5588 1 12 . 1 1 22 22 ASP CB C 15 40.730 40.730 41.190 -0.460 17827 5589 1 12 . 1 1 22 22 ASP H H 15 7.960 7.960 8.502 -0.542 17827 5590 1 12 . 1 1 23 23 GLY N N 16 108.891 108.891 108.241 0.650 17827 5591 1 12 . 1 1 23 23 GLY C C 16 174.373 174.373 173.652 0.721 17827 5592 1 12 . 1 1 23 23 GLY CA C 16 45.370 45.370 46.248 -0.878 17827 5593 1 12 . 1 1 23 23 GLY H H 16 8.344 8.344 8.499 -0.155 17827 5594 1 12 . 1 1 24 24 THR N N 17 110.929 110.929 107.871 3.058 17827 5595 1 12 . 1 1 24 24 THR HA H 17 4.640 4.640 4.556 0.084 17827 5596 1 12 . 1 1 24 24 THR C C 17 173.620 173.620 172.995 0.625 17827 5597 1 12 . 1 1 24 24 THR CA C 17 60.540 60.540 60.105 0.435 17827 5598 1 12 . 1 1 24 24 THR CB C 17 72.100 72.100 71.058 1.042 17827 5599 1 12 . 1 1 24 24 THR H H 17 7.850 7.850 7.254 0.596 17827 5600 1 12 . 1 1 25 25 TRP N N 18 117.728 117.728 118.058 -0.330 17827 5601 1 12 . 1 1 25 25 TRP HA H 18 4.945 4.945 4.977 -0.032 17827 5602 1 12 . 1 1 25 25 TRP C C 18 174.164 174.164 174.154 0.010 17827 5603 1 12 . 1 1 25 25 TRP CA C 18 54.620 54.620 56.180 -1.560 17827 5604 1 12 . 1 1 25 25 TRP CB C 18 30.650 30.650 30.352 0.298 17827 5605 1 12 . 1 1 25 25 TRP H H 18 8.640 8.640 7.435 1.205 17827 5606 1 12 . 1 1 26 26 GLU N N 19 117.728 117.728 118.124 -0.396 17827 5607 1 12 . 1 1 26 26 GLU HA H 19 4.851 4.851 4.746 0.105 17827 5608 1 12 . 1 1 26 26 GLU C C 19 174.786 174.786 174.578 0.208 17827 5609 1 12 . 1 1 26 26 GLU CA C 19 55.710 55.710 54.781 0.929 17827 5610 1 12 . 1 1 26 26 GLU CB C 19 31.500 31.500 32.332 -0.832 17827 5611 1 12 . 1 1 26 26 GLU H H 19 8.744 8.744 8.462 0.282 17827 5612 1 12 . 1 1 27 27 LEU N N 20 126.668 126.668 119.313 7.355 17827 5613 1 12 . 1 1 27 27 LEU HA H 20 4.880 4.880 4.725 0.155 17827 5614 1 12 . 1 1 27 27 LEU C C 20 175.123 175.123 175.224 -0.101 17827 5615 1 12 . 1 1 27 27 LEU CA C 20 53.252 53.252 53.560 -0.308 17827 5616 1 12 . 1 1 27 27 LEU CB C 20 45.280 45.280 46.773 -1.493 17827 5617 1 12 . 1 1 27 27 LEU H H 20 8.980 8.980 8.789 0.191 17827 5618 1 12 . 1 1 28 28 SER N N 21 121.804 121.804 116.767 5.037 17827 5619 1 12 . 1 1 28 28 SER HA H 21 4.894 4.894 4.750 0.144 17827 5620 1 12 . 1 1 28 28 SER C C 21 173.483 173.483 172.738 0.745 17827 5621 1 12 . 1 1 28 28 SER CA C 21 57.880 57.880 56.791 1.089 17827 5622 1 12 . 1 1 28 28 SER CB C 21 63.920 63.920 64.653 -0.733 17827 5623 1 12 . 1 1 28 28 SER H H 21 8.785 8.785 8.327 0.458 17827 5624 1 12 . 1 1 29 29 VAL N N 22 125.881 125.881 123.681 2.200 17827 5625 1 12 . 1 1 29 29 VAL HA H 22 4.370 4.370 4.387 -0.017 17827 5626 1 12 . 1 1 29 29 VAL C C 22 173.953 173.953 175.005 -1.052 17827 5627 1 12 . 1 1 29 29 VAL CA C 22 60.440 60.440 60.474 -0.034 17827 5628 1 12 . 1 1 29 29 VAL CB C 22 34.350 34.350 36.303 -1.953 17827 5629 1 12 . 1 1 29 29 VAL H H 22 8.865 8.865 8.338 0.527 17827 5630 1 12 . 1 1 30 30 HIS N N 23 126.560 126.560 123.048 3.512 17827 5631 1 12 . 1 1 30 30 HIS HA H 23 5.220 5.220 4.794 0.426 17827 5632 1 12 . 1 1 30 30 HIS C C 23 174.596 174.596 174.469 0.127 17827 5633 1 12 . 1 1 30 30 HIS CA C 23 55.250 55.250 55.254 -0.004 17827 5634 1 12 . 1 1 30 30 HIS CB C 23 30.550 30.550 32.550 -2.000 17827 5635 1 12 . 1 1 30 30 HIS H H 23 8.810 8.810 8.434 0.376 17827 5636 1 12 . 1 1 31 31 VAL N N 24 130.587 130.587 128.153 2.434 17827 5637 1 12 . 1 1 31 31 VAL HA H 24 5.230 5.230 4.447 0.783 17827 5638 1 12 . 1 1 31 31 VAL C C 24 177.426 177.426 175.465 1.961 17827 5639 1 12 . 1 1 31 31 VAL CA C 24 55.530 55.530 62.139 -6.609 17827 5640 1 12 . 1 1 31 31 VAL CB C 24 31.040 31.040 31.206 -0.166 17827 5641 1 12 . 1 1 31 31 VAL H H 24 9.043 9.043 8.800 0.243 17827 5642 1 12 . 1 1 32 32 THR N N 25 122.484 122.484 119.777 2.707 17827 5643 1 12 . 1 1 32 32 THR HA H 25 3.970 3.970 4.486 -0.516 17827 5644 1 12 . 1 1 32 32 THR C C 25 177.437 177.437 175.459 1.978 17827 5645 1 12 . 1 1 32 32 THR CA C 25 66.470 66.470 61.784 4.686 17827 5646 1 12 . 1 1 32 32 THR CB C 25 68.220 68.220 70.096 -1.876 17827 5647 1 12 . 1 1 32 32 THR H H 25 8.245 8.245 8.579 -0.334 17827 5648 1 12 . 1 1 34 34 VAL N N 27 114.090 114.090 116.971 -2.881 17827 5649 1 12 . 1 1 34 34 VAL HA H 27 4.500 4.500 4.159 0.341 17827 5650 1 12 . 1 1 34 34 VAL CA C 27 54.220 54.220 62.884 -8.664 17827 5651 1 12 . 1 1 34 34 VAL CB C 27 27.060 27.060 33.653 -6.593 17827 5652 1 12 . 1 1 34 34 VAL H H 27 6.977 6.977 7.340 -0.363 17827 5653 1 12 . 1 1 35 35 ASN N N 28 116.829 116.829 116.720 0.109 17827 5654 1 12 . 1 1 35 35 ASN HA H 28 4.299 4.299 4.498 -0.199 17827 5655 1 12 . 1 1 35 35 ASN CA C 28 53.650 53.650 54.313 -0.663 17827 5656 1 12 . 1 1 35 35 ASN CB C 28 37.110 37.110 38.204 -1.094 17827 5657 1 12 . 1 1 35 35 ASN H H 28 7.897 7.897 8.516 -0.619 17827 5658 1 12 . 1 1 36 36 ARG N N 29 114.310 114.310 116.885 -2.575 17827 5659 1 12 . 1 1 36 36 ARG HA H 29 4.700 4.700 4.732 -0.032 17827 5660 1 12 . 1 1 36 36 ARG C C 29 173.347 173.347 174.073 -0.726 17827 5661 1 12 . 1 1 36 36 ARG CA C 29 54.900 54.900 54.813 0.087 17827 5662 1 12 . 1 1 36 36 ARG CB C 29 34.700 34.700 32.402 2.298 17827 5663 1 12 . 1 1 36 36 ARG H H 29 6.787 6.787 7.692 -0.905 17827 5664 1 12 . 1 1 37 37 ASP N N 30 124.071 124.071 117.566 6.505 17827 5665 1 12 . 1 1 37 37 ASP HA H 30 5.475 5.475 4.776 0.699 17827 5666 1 12 . 1 1 37 37 ASP C C 30 175.354 175.354 174.651 0.703 17827 5667 1 12 . 1 1 37 37 ASP CA C 30 53.660 53.660 53.374 0.286 17827 5668 1 12 . 1 1 37 37 ASP CB C 30 42.260 42.260 42.505 -0.245 17827 5669 1 12 . 1 1 37 37 ASP H H 30 8.760 8.760 8.441 0.320 17827 5670 1 12 . 1 1 38 38 VAL N N 31 123.300 123.300 118.307 4.993 17827 5671 1 12 . 1 1 38 38 VAL HA H 31 4.270 4.270 4.563 -0.293 17827 5672 1 12 . 1 1 38 38 VAL C C 31 174.203 174.203 174.261 -0.058 17827 5673 1 12 . 1 1 38 38 VAL CA C 31 60.700 60.700 60.335 0.365 17827 5674 1 12 . 1 1 38 38 VAL CB C 31 34.620 34.620 36.242 -1.622 17827 5675 1 12 . 1 1 38 38 VAL H H 31 9.187 9.187 7.960 1.227 17827 5676 1 12 . 1 1 39 39 THR N N 32 119.766 119.766 113.509 6.257 17827 5677 1 12 . 1 1 39 39 THR HA H 32 5.095 5.095 4.827 0.268 17827 5678 1 12 . 1 1 39 39 THR C C 32 173.547 173.547 173.111 0.436 17827 5679 1 12 . 1 1 39 39 THR CA C 32 60.550 60.550 60.005 0.545 17827 5680 1 12 . 1 1 39 39 THR CB C 32 70.170 70.170 71.022 -0.852 17827 5681 1 12 . 1 1 39 39 THR H H 32 8.360 8.360 8.111 0.249 17827 5682 1 12 . 1 1 40 40 LEU N N 33 124.522 124.522 122.670 1.852 17827 5683 1 12 . 1 1 40 40 LEU HA H 33 4.590 4.590 4.626 -0.036 17827 5684 1 12 . 1 1 40 40 LEU C C 33 174.691 174.691 175.802 -1.111 17827 5685 1 12 . 1 1 40 40 LEU CA C 33 52.580 52.580 53.720 -1.140 17827 5686 1 12 . 1 1 40 40 LEU CB C 33 45.410 45.410 44.329 1.081 17827 5687 1 12 . 1 1 40 40 LEU H H 33 8.750 8.750 8.148 0.602 17827 5688 1 12 . 1 1 41 41 ARG N N 34 122.712 122.712 124.426 -1.714 17827 5689 1 12 . 1 1 41 41 ARG HA H 34 4.680 4.680 4.663 0.017 17827 5690 1 12 . 1 1 41 41 ARG C C 34 175.700 175.700 174.398 1.302 17827 5691 1 12 . 1 1 41 41 ARG CA C 34 55.420 55.420 55.365 0.055 17827 5692 1 12 . 1 1 41 41 ARG CB C 34 29.500 29.500 29.669 -0.169 17827 5693 1 12 . 1 1 41 41 ARG H H 34 8.345 8.345 8.708 -0.363 17827 5694 1 12 . 1 1 42 42 VAL N N 35 117.728 117.728 117.881 -0.153 17827 5695 1 12 . 1 1 42 42 VAL HA H 35 4.465 4.465 4.392 0.073 17827 5696 1 12 . 1 1 42 42 VAL C C 35 173.184 173.184 173.520 -0.336 17827 5697 1 12 . 1 1 42 42 VAL CA C 35 58.670 58.670 59.499 -0.829 17827 5698 1 12 . 1 1 42 42 VAL CB C 35 36.050 36.050 35.333 0.717 17827 5699 1 12 . 1 1 42 42 VAL H H 35 8.640 8.640 7.819 0.821 17827 5700 1 12 . 1 1 43 43 THR N N 36 104.359 104.359 109.237 -4.878 17827 5701 1 12 . 1 1 43 43 THR HA H 36 4.660 4.660 2.262 2.398 17827 5702 1 12 . 1 1 43 43 THR C C 36 174.862 174.862 175.294 -0.432 17827 5703 1 12 . 1 1 43 43 THR CA C 36 59.010 59.010 59.431 -0.421 17827 5704 1 12 . 1 1 43 43 THR CB C 36 71.570 71.570 71.534 0.036 17827 5705 1 12 . 1 1 43 43 THR H H 36 6.220 6.220 7.716 -1.496 17827 5706 1 12 . 1 1 44 44 GLY N N 37 105.946 105.946 108.401 -2.455 17827 5707 1 12 . 1 1 44 44 GLY C C 37 173.394 173.394 174.631 -1.237 17827 5708 1 12 . 1 1 44 44 GLY CA C 37 46.830 46.830 46.954 -0.124 17827 5709 1 12 . 1 1 44 44 GLY H H 37 9.160 9.160 8.701 0.459 17827 5710 1 12 . 1 1 45 45 GLU N N 38 113.875 113.875 117.501 -3.626 17827 5711 1 12 . 1 1 45 45 GLU HA H 38 4.290 4.290 4.242 0.048 17827 5712 1 12 . 1 1 45 45 GLU C C 38 176.167 176.167 176.652 -0.485 17827 5713 1 12 . 1 1 45 45 GLU CA C 38 55.500 55.500 56.182 -0.682 17827 5714 1 12 . 1 1 45 45 GLU CB C 38 30.950 30.950 29.693 1.257 17827 5715 1 12 . 1 1 45 45 GLU H H 38 7.500 7.500 7.293 0.207 17827 5716 1 12 . 1 1 46 46 VAL N N 39 121.577 121.577 122.132 -0.555 17827 5717 1 12 . 1 1 46 46 VAL HA H 39 3.820 3.820 3.894 -0.074 17827 5718 1 12 . 1 1 46 46 VAL C C 39 174.651 174.651 175.041 -0.390 17827 5719 1 12 . 1 1 46 46 VAL CA C 39 63.920 63.920 62.212 1.708 17827 5720 1 12 . 1 1 46 46 VAL CB C 39 31.590 31.590 32.942 -1.352 17827 5721 1 12 . 1 1 46 46 VAL H H 39 7.260 7.260 7.690 -0.430 17827 5722 1 12 . 1 1 47 47 HIS N N 40 123.391 123.391 126.460 -3.069 17827 5723 1 12 . 1 1 47 47 HIS HA H 40 5.212 5.212 4.684 0.528 17827 5724 1 12 . 1 1 47 47 HIS C C 40 177.440 177.440 176.320 1.120 17827 5725 1 12 . 1 1 47 47 HIS CA C 40 54.660 54.660 55.641 -0.981 17827 5726 1 12 . 1 1 47 47 HIS CB C 40 30.910 30.910 30.947 -0.037 17827 5727 1 12 . 1 1 47 47 HIS H H 40 8.285 8.285 8.384 -0.099 17827 5728 1 12 . 1 1 48 48 ILE N N 41 124.071 124.071 124.186 -0.115 17827 5729 1 12 . 1 1 48 48 ILE HA H 41 3.530 3.530 3.803 -0.273 17827 5730 1 12 . 1 1 48 48 ILE C C 41 178.941 178.941 177.557 1.384 17827 5731 1 12 . 1 1 48 48 ILE CA C 41 62.330 62.330 65.531 -3.201 17827 5732 1 12 . 1 1 48 48 ILE CB C 41 34.230 34.230 37.901 -3.671 17827 5733 1 12 . 1 1 48 48 ILE H H 41 8.863 8.863 8.427 0.436 17827 5734 1 12 . 1 1 49 49 GLY N N 42 106.853 106.853 104.301 2.552 17827 5735 1 12 . 1 1 49 49 GLY C C 42 175.669 175.669 175.230 0.439 17827 5736 1 12 . 1 1 49 49 GLY CA C 42 45.320 45.320 46.110 -0.790 17827 5737 1 12 . 1 1 49 49 GLY H H 42 9.720 9.720 8.726 0.994 17827 5738 1 12 . 1 1 50 50 GLY N N 43 109.571 109.571 108.836 0.735 17827 5739 1 12 . 1 1 50 50 GLY C C 43 175.847 175.847 175.596 0.251 17827 5740 1 12 . 1 1 50 50 GLY CA C 43 47.000 47.000 45.592 1.408 17827 5741 1 12 . 1 1 50 50 GLY H H 43 6.950 6.950 8.216 -1.266 17827 5742 1 12 . 1 1 51 51 VAL N N 44 123.163 123.163 124.894 -1.731 17827 5743 1 12 . 1 1 51 51 VAL HA H 44 3.115 3.115 3.600 -0.485 17827 5744 1 12 . 1 1 51 51 VAL C C 44 176.804 176.804 177.960 -1.156 17827 5745 1 12 . 1 1 51 51 VAL CA C 44 66.660 66.660 67.073 -0.413 17827 5746 1 12 . 1 1 51 51 VAL CB C 44 30.730 30.730 31.632 -0.902 17827 5747 1 12 . 1 1 51 51 VAL H H 44 7.860 7.860 8.682 -0.822 17827 5748 1 12 . 1 1 52 52 MET N N 45 115.913 115.913 116.924 -1.011 17827 5749 1 12 . 1 1 52 52 MET HA H 45 3.410 3.410 3.979 -0.569 17827 5750 1 12 . 1 1 52 52 MET C C 45 176.881 176.881 178.506 -1.625 17827 5751 1 12 . 1 1 52 52 MET CA C 45 59.830 59.830 59.563 0.267 17827 5752 1 12 . 1 1 52 52 MET CB C 45 32.310 32.310 31.894 0.416 17827 5753 1 12 . 1 1 52 52 MET H H 45 7.940 7.940 7.695 0.245 17827 5754 1 12 . 1 1 53 53 LEU N N 46 118.291 118.291 121.703 -3.412 17827 5755 1 12 . 1 1 53 53 LEU HA H 46 3.940 3.940 4.126 -0.186 17827 5756 1 12 . 1 1 53 53 LEU C C 46 179.178 179.178 179.240 -0.062 17827 5757 1 12 . 1 1 53 53 LEU CA C 46 58.500 58.500 58.161 0.339 17827 5758 1 12 . 1 1 53 53 LEU CB C 46 41.930 41.930 41.220 0.710 17827 5759 1 12 . 1 1 53 53 LEU H H 46 7.550 7.550 7.743 -0.193 17827 5760 1 12 . 1 1 54 54 LYS N N 47 118.142 118.142 119.258 -1.116 17827 5761 1 12 . 1 1 54 54 LYS HA H 47 3.870 3.870 4.039 -0.169 17827 5762 1 12 . 1 1 54 54 LYS C C 47 178.616 178.616 179.374 -0.758 17827 5763 1 12 . 1 1 54 54 LYS CA C 47 57.980 57.980 59.240 -1.260 17827 5764 1 12 . 1 1 54 54 LYS CB C 47 32.320 32.320 32.059 0.261 17827 5765 1 12 . 1 1 54 54 LYS H H 47 7.665 7.665 8.669 -1.004 17827 5766 1 12 . 1 1 55 55 LEU N N 48 119.385 119.385 120.259 -0.874 17827 5767 1 12 . 1 1 55 55 LEU HA H 48 3.570 3.570 4.293 -0.723 17827 5768 1 12 . 1 1 55 55 LEU C C 48 177.405 177.405 177.943 -0.538 17827 5769 1 12 . 1 1 55 55 LEU CA C 48 57.790 57.790 57.785 0.005 17827 5770 1 12 . 1 1 55 55 LEU CB C 48 41.590 41.590 41.843 -0.253 17827 5771 1 12 . 1 1 55 55 LEU H H 48 7.975 7.975 7.934 0.041 17827 5772 1 12 . 1 1 56 56 VAL N N 49 116.141 116.141 120.512 -4.371 17827 5773 1 12 . 1 1 56 56 VAL HA H 49 2.990 2.990 4.172 -1.182 17827 5774 1 12 . 1 1 56 56 VAL C C 49 178.564 178.564 178.273 0.291 17827 5775 1 12 . 1 1 56 56 VAL CA C 49 66.310 66.310 66.288 0.022 17827 5776 1 12 . 1 1 56 56 VAL CB C 49 31.300 31.300 31.736 -0.436 17827 5777 1 12 . 1 1 56 56 VAL H H 49 7.615 7.615 8.941 -1.326 17827 5778 1 12 . 1 1 57 57 GLU N N 50 118.631 118.631 117.619 1.012 17827 5779 1 12 . 1 1 57 57 GLU HA H 50 3.965 3.965 4.127 -0.162 17827 5780 1 12 . 1 1 57 57 GLU C C 50 178.030 178.030 178.862 -0.832 17827 5781 1 12 . 1 1 57 57 GLU CA C 50 58.500 58.500 58.816 -0.316 17827 5782 1 12 . 1 1 57 57 GLU CB C 50 29.610 29.610 29.547 0.063 17827 5783 1 12 . 1 1 57 57 GLU H H 50 7.575 7.575 8.823 -1.248 17827 5784 1 12 . 1 1 58 58 LYS N N 51 117.053 117.053 118.385 -1.332 17827 5785 1 12 . 1 1 58 58 LYS HA H 51 4.130 4.130 4.157 -0.027 17827 5786 1 12 . 1 1 58 58 LYS C C 51 176.956 176.956 176.815 0.141 17827 5787 1 12 . 1 1 58 58 LYS CA C 51 56.660 56.660 58.778 -2.118 17827 5788 1 12 . 1 1 58 58 LYS CB C 51 32.660 32.660 33.557 -0.897 17827 5789 1 12 . 1 1 58 58 LYS H H 51 7.490 7.490 7.587 -0.097 17827 5790 1 12 . 1 1 59 59 LEU N N 52 119.460 119.460 113.577 5.883 17827 5791 1 12 . 1 1 59 59 LEU HA H 52 4.122 4.122 4.713 -0.591 17827 5792 1 12 . 1 1 59 59 LEU C C 52 176.645 176.645 175.377 1.268 17827 5793 1 12 . 1 1 59 59 LEU CA C 52 56.660 56.660 55.138 1.522 17827 5794 1 12 . 1 1 59 59 LEU CB C 52 42.700 42.700 44.598 -1.898 17827 5795 1 12 . 1 1 59 59 LEU H H 52 7.470 7.470 8.144 -0.674 17827 5796 1 12 . 1 1 62 62 LYS C C 55 175.670 175.670 175.546 0.124 17827 5797 1 12 . 1 1 63 63 LYS N N 56 122.430 122.430 118.655 3.775 17827 5798 1 12 . 1 1 63 63 LYS HA H 56 4.030 4.030 4.054 -0.024 17827 5799 1 12 . 1 1 63 63 LYS C C 56 172.850 172.850 175.667 -2.817 17827 5800 1 12 . 1 1 63 63 LYS CA C 56 54.530 54.530 55.928 -1.398 17827 5801 1 12 . 1 1 63 63 LYS CB C 56 34.440 34.440 33.229 1.211 17827 5802 1 12 . 1 1 63 63 LYS H H 56 7.245 7.245 7.690 -0.445 17827 5803 1 12 . 1 1 64 64 ASP N N 57 118.867 118.867 120.944 -2.077 17827 5804 1 12 . 1 1 64 64 ASP HA H 57 4.530 4.530 3.921 0.609 17827 5805 1 12 . 1 1 64 64 ASP C C 57 176.710 176.710 175.074 1.636 17827 5806 1 12 . 1 1 64 64 ASP CA C 57 52.500 52.500 54.814 -2.314 17827 5807 1 12 . 1 1 64 64 ASP CB C 57 40.320 40.320 41.000 -0.680 17827 5808 1 12 . 1 1 64 64 ASP H H 57 7.867 7.867 7.961 -0.094 17827 5809 1 12 . 1 1 65 65 TRP N N 58 128.827 128.827 120.753 8.074 17827 5810 1 12 . 1 1 65 65 TRP HA H 58 4.540 4.540 4.661 -0.121 17827 5811 1 12 . 1 1 65 65 TRP C C 58 178.390 178.390 177.145 1.245 17827 5812 1 12 . 1 1 65 65 TRP CA C 58 52.860 52.860 58.272 -5.412 17827 5813 1 12 . 1 1 65 65 TRP CB C 58 29.420 29.420 29.117 0.302 17827 5814 1 12 . 1 1 65 65 TRP H H 58 8.790 8.790 8.024 0.766 17827 5815 1 12 . 1 1 66 66 SER N N 59 117.724 117.724 115.037 2.687 17827 5816 1 12 . 1 1 66 66 SER HA H 59 4.143 4.143 4.563 -0.420 17827 5817 1 12 . 1 1 66 66 SER C C 59 174.471 174.471 175.283 -0.812 17827 5818 1 12 . 1 1 66 66 SER CA C 59 62.350 62.350 59.206 3.144 17827 5819 1 12 . 1 1 66 66 SER CB C 59 63.110 63.110 62.956 0.153 17827 5820 1 12 . 1 1 66 66 SER H H 59 8.637 8.637 8.194 0.443 17827 5821 1 12 . 1 1 67 67 ASP N N 60 121.042 121.042 119.965 1.077 17827 5822 1 12 . 1 1 67 67 ASP C C 60 176.206 176.206 176.424 -0.218 17827 5823 1 12 . 1 1 67 67 ASP CB C 60 42.560 42.560 40.838 1.722 17827 5824 1 12 . 1 1 67 67 ASP H H 60 8.895 8.895 8.156 0.739 17827 5825 1 12 . 1 1 68 68 HIS N N 61 121.519 121.519 115.872 5.647 17827 5826 1 12 . 1 1 68 68 HIS HA H 61 4.490 4.490 4.566 -0.076 17827 5827 1 12 . 1 1 68 68 HIS C C 61 174.546 174.546 173.779 0.767 17827 5828 1 12 . 1 1 68 68 HIS CA C 61 57.940 57.940 55.436 2.504 17827 5829 1 12 . 1 1 68 68 HIS CB C 61 39.410 39.410 30.811 8.600 17827 5830 1 12 . 1 1 68 68 HIS H H 61 7.958 7.958 7.322 0.636 17827 5831 1 12 . 1 1 69 69 ALA N N 62 122.256 122.256 119.991 2.265 17827 5832 1 12 . 1 1 69 69 ALA C C 62 175.294 175.294 175.482 -0.188 17827 5833 1 12 . 1 1 69 69 ALA CB C 62 22.470 22.470 23.050 -0.580 17827 5834 1 12 . 1 1 69 69 ALA H H 62 8.575 8.575 8.280 0.295 17827 5835 1 12 . 1 1 70 70 LEU N N 63 118.904 118.904 120.439 -1.535 17827 5836 1 12 . 1 1 70 70 LEU HA H 63 5.654 5.654 5.003 0.651 17827 5837 1 12 . 1 1 70 70 LEU C C 63 174.445 174.445 176.578 -2.133 17827 5838 1 12 . 1 1 70 70 LEU CA C 63 53.930 53.930 53.167 0.763 17827 5839 1 12 . 1 1 70 70 LEU CB C 63 44.300 44.300 41.752 2.548 17827 5840 1 12 . 1 1 70 70 LEU H H 63 9.150 9.150 8.907 0.243 17827 5841 1 12 . 1 1 71 71 TRP N N 64 125.367 125.367 127.098 -1.731 17827 5842 1 12 . 1 1 71 71 TRP C C 64 174.010 174.010 175.397 -1.387 17827 5843 1 12 . 1 1 71 71 TRP CB C 64 32.210 32.210 30.633 1.577 17827 5844 1 12 . 1 1 71 71 TRP H H 64 9.590 9.590 8.469 1.121 17827 5845 1 12 . 1 1 72 72 TRP N N 65 129.982 129.982 128.669 1.313 17827 5846 1 12 . 1 1 72 72 TRP HA H 65 4.980 4.980 4.703 0.277 17827 5847 1 12 . 1 1 72 72 TRP C C 65 174.335 174.335 176.059 -1.724 17827 5848 1 12 . 1 1 72 72 TRP CA C 65 51.440 51.440 53.842 -2.402 17827 5849 1 12 . 1 1 72 72 TRP CB C 65 30.490 30.490 30.355 0.135 17827 5850 1 12 . 1 1 72 72 TRP H H 65 8.277 8.277 8.430 -0.153 17827 5851 1 12 . 1 1 73 73 GLU N N 66 129.112 129.112 127.602 1.510 17827 5852 1 12 . 1 1 73 73 GLU HA H 66 3.300 3.300 3.728 -0.428 17827 5853 1 12 . 1 1 73 73 GLU C C 66 178.595 178.595 176.934 1.661 17827 5854 1 12 . 1 1 73 73 GLU CA C 66 59.920 59.920 58.354 1.566 17827 5855 1 12 . 1 1 73 73 GLU CB C 66 29.060 29.060 29.123 -0.063 17827 5856 1 12 . 1 1 73 73 GLU H H 66 8.969 8.969 8.529 0.440 17827 5857 1 12 . 1 1 74 74 LYS N N 67 117.492 117.492 119.359 -1.867 17827 5858 1 12 . 1 1 74 74 LYS HA H 67 3.702 3.702 3.746 -0.044 17827 5859 1 12 . 1 1 74 74 LYS C C 67 176.361 176.361 176.703 -0.342 17827 5860 1 12 . 1 1 74 74 LYS CA C 67 58.660 58.660 58.130 0.530 17827 5861 1 12 . 1 1 74 74 LYS CB C 67 32.020 32.020 31.605 0.415 17827 5862 1 12 . 1 1 74 74 LYS H H 67 7.860 7.860 7.899 -0.039 17827 5863 1 12 . 1 1 75 75 LYS N N 68 121.233 121.233 115.346 5.887 17827 5864 1 12 . 1 1 75 75 LYS HA H 68 3.935 3.935 4.247 -0.312 17827 5865 1 12 . 1 1 75 75 LYS C C 68 174.183 174.183 175.266 -1.083 17827 5866 1 12 . 1 1 75 75 LYS CA C 68 53.400 53.400 55.255 -1.855 17827 5867 1 12 . 1 1 75 75 LYS CB C 68 32.200 32.200 33.242 -1.042 17827 5868 1 12 . 1 1 75 75 LYS H H 68 7.500 7.500 6.918 0.582 17827 5869 1 12 . 1 1 76 76 ARG N N 69 121.125 121.125 116.951 4.174 17827 5870 1 12 . 1 1 76 76 ARG HA H 69 2.890 2.890 2.943 -0.053 17827 5871 1 12 . 1 1 76 76 ARG C C 69 173.984 173.984 173.921 0.063 17827 5872 1 12 . 1 1 76 76 ARG CA C 69 56.316 56.316 56.411 -0.095 17827 5873 1 12 . 1 1 76 76 ARG CB C 69 27.090 27.090 26.235 0.855 17827 5874 1 12 . 1 1 76 76 ARG H H 69 7.500 7.500 7.619 -0.119 17827 5875 1 12 . 1 1 77 77 THR N N 70 110.478 110.478 113.060 -2.582 17827 5876 1 12 . 1 1 77 77 THR HA H 70 4.650 4.650 4.269 0.381 17827 5877 1 12 . 1 1 77 77 THR C C 70 171.846 171.846 172.442 -0.596 17827 5878 1 12 . 1 1 77 77 THR CA C 70 61.630 61.630 59.823 1.807 17827 5879 1 12 . 1 1 77 77 THR CB C 70 72.210 72.210 70.712 1.498 17827 5880 1 12 . 1 1 77 77 THR H H 70 6.280 6.280 7.028 -0.748 17827 5881 1 12 . 1 1 78 78 TRP N N 71 127.244 127.244 118.789 8.455 17827 5882 1 12 . 1 1 78 78 TRP HA H 71 4.750 4.750 5.711 -0.961 17827 5883 1 12 . 1 1 78 78 TRP C C 71 177.303 177.303 175.990 1.313 17827 5884 1 12 . 1 1 78 78 TRP CA C 71 56.240 56.240 55.500 0.740 17827 5885 1 12 . 1 1 78 78 TRP CB C 71 30.500 30.500 31.820 -1.320 17827 5886 1 12 . 1 1 78 78 TRP H H 71 8.795 8.795 8.438 0.357 17827 5887 1 12 . 1 1 79 79 LEU N N 72 125.202 125.202 122.875 2.327 17827 5888 1 12 . 1 1 79 79 LEU HA H 72 4.500 4.500 4.872 -0.372 17827 5889 1 12 . 1 1 79 79 LEU C C 72 175.667 175.667 176.490 -0.823 17827 5890 1 12 . 1 1 79 79 LEU CA C 72 52.510 52.510 54.392 -1.882 17827 5891 1 12 . 1 1 79 79 LEU CB C 72 38.240 38.240 41.943 -3.703 17827 5892 1 12 . 1 1 79 79 LEU H H 72 9.175 9.175 8.427 0.749 17827 5893 1 12 . 1 1 80 80 LEU N N 73 119.170 119.170 124.359 -5.189 17827 5894 1 12 . 1 1 80 80 LEU HA H 73 4.380 4.380 4.611 -0.231 17827 5895 1 12 . 1 1 80 80 LEU C C 73 178.139 178.139 176.696 1.443 17827 5896 1 12 . 1 1 80 80 LEU CA C 73 54.700 54.700 55.091 -0.391 17827 5897 1 12 . 1 1 80 80 LEU CB C 73 42.170 42.170 42.469 -0.299 17827 5898 1 12 . 1 1 80 80 LEU H H 73 7.280 7.280 8.697 -1.417 17827 5899 1 12 . 1 1 81 81 LYS N N 74 119.766 119.766 118.251 1.515 17827 5900 1 12 . 1 1 81 81 LYS HA H 74 4.435 4.435 4.371 0.064 17827 5901 1 12 . 1 1 81 81 LYS C C 74 176.601 176.601 177.600 -0.999 17827 5902 1 12 . 1 1 81 81 LYS CA C 74 54.660 54.660 56.663 -2.003 17827 5903 1 12 . 1 1 81 81 LYS CB C 74 28.540 28.540 33.189 -4.649 17827 5904 1 12 . 1 1 81 81 LYS H H 74 7.865 7.865 7.939 -0.074 17827 5905 1 12 . 1 1 82 82 THR N N 75 115.636 115.636 115.060 0.576 17827 5906 1 12 . 1 1 82 82 THR HA H 75 3.800 3.800 4.360 -0.560 17827 5907 1 12 . 1 1 82 82 THR C C 75 174.806 174.806 175.467 -0.661 17827 5908 1 12 . 1 1 82 82 THR CA C 75 64.650 64.650 65.157 -0.507 17827 5909 1 12 . 1 1 82 82 THR CB C 75 68.260 68.260 68.657 -0.397 17827 5910 1 12 . 1 1 82 82 THR H H 75 7.910 7.910 8.767 -0.857 17827 5911 1 12 . 1 1 83 83 HIS N N 76 116.767 116.767 120.355 -3.588 17827 5912 1 12 . 1 1 83 83 HIS C C 76 176.370 176.370 175.201 1.169 17827 5913 1 12 . 1 1 83 83 HIS CB C 76 30.210 30.210 29.435 0.775 17827 5914 1 12 . 1 1 83 83 HIS H H 76 8.965 8.965 8.512 0.453 17827 5915 1 12 . 1 1 84 84 TRP N N 77 123.905 123.905 119.500 4.405 17827 5916 1 12 . 1 1 84 84 TRP C C 77 175.584 175.584 175.382 0.202 17827 5917 1 12 . 1 1 84 84 TRP CB C 77 30.390 30.390 29.222 1.168 17827 5918 1 12 . 1 1 84 84 TRP H H 77 7.635 7.635 7.509 0.126 17827 5919 1 12 . 1 1 85 85 THR N N 78 108.440 108.440 114.687 -6.247 17827 5920 1 12 . 1 1 85 85 THR HA H 78 4.900 4.900 4.189 0.711 17827 5921 1 12 . 1 1 85 85 THR C C 78 175.691 175.691 175.604 0.087 17827 5922 1 12 . 1 1 85 85 THR CA C 78 59.500 59.500 63.736 -4.236 17827 5923 1 12 . 1 1 85 85 THR CB C 78 70.600 70.600 69.531 1.069 17827 5924 1 12 . 1 1 85 85 THR H H 78 7.030 7.030 7.648 -0.618 17827 5925 1 12 . 1 1 86 86 LEU N N 79 119.766 119.766 121.424 -1.658 17827 5926 1 12 . 1 1 86 86 LEU HA H 79 4.040 4.040 4.061 -0.021 17827 5927 1 12 . 1 1 86 86 LEU C C 79 179.734 179.734 179.025 0.709 17827 5928 1 12 . 1 1 86 86 LEU CA C 79 58.750 58.750 59.565 -0.815 17827 5929 1 12 . 1 1 86 86 LEU CB C 79 40.450 40.450 41.349 -0.899 17827 5930 1 12 . 1 1 86 86 LEU H H 79 8.045 8.045 8.515 -0.470 17827 5931 1 12 . 1 1 87 87 ASP N N 80 118.407 118.407 118.840 -0.433 17827 5932 1 12 . 1 1 87 87 ASP HA H 80 4.440 4.440 4.343 0.097 17827 5933 1 12 . 1 1 87 87 ASP C C 80 179.152 179.152 178.169 0.983 17827 5934 1 12 . 1 1 87 87 ASP CA C 80 57.320 57.320 57.125 0.195 17827 5935 1 12 . 1 1 87 87 ASP CB C 80 40.320 40.320 40.575 -0.255 17827 5936 1 12 . 1 1 87 87 ASP H H 80 8.935 8.935 8.809 0.126 17827 5937 1 12 . 1 1 88 88 LYS N N 81 123.300 123.300 119.036 4.264 17827 5938 1 12 . 1 1 88 88 LYS HA H 81 3.700 3.700 3.856 -0.156 17827 5939 1 12 . 1 1 88 88 LYS C C 81 178.721 178.721 178.574 0.147 17827 5940 1 12 . 1 1 88 88 LYS CA C 81 59.020 59.020 58.865 0.155 17827 5941 1 12 . 1 1 88 88 LYS CB C 81 31.640 31.640 31.887 -0.246 17827 5942 1 12 . 1 1 88 88 LYS H H 81 8.055 8.055 8.288 -0.233 17827 5943 1 12 . 1 1 89 89 TYR N N 82 115.690 115.690 116.278 -0.588 17827 5944 1 12 . 1 1 89 89 TYR HA H 82 4.580 4.580 4.546 0.034 17827 5945 1 12 . 1 1 89 89 TYR C C 82 176.164 176.164 176.009 0.155 17827 5946 1 12 . 1 1 89 89 TYR CA C 82 61.750 61.750 59.287 2.463 17827 5947 1 12 . 1 1 89 89 TYR CB C 82 40.750 40.750 39.386 1.364 17827 5948 1 12 . 1 1 89 89 TYR H H 82 7.730 7.730 7.716 0.014 17827 5949 1 12 . 1 1 90 90 GLY N N 83 108.212 108.212 107.546 0.666 17827 5950 1 12 . 1 1 90 90 GLY C C 83 174.555 174.555 174.346 0.209 17827 5951 1 12 . 1 1 90 90 GLY CA C 83 45.510 45.510 44.995 0.515 17827 5952 1 12 . 1 1 90 90 GLY H H 83 8.030 8.030 7.620 0.410 17827 5953 1 12 . 1 1 91 91 ILE N N 84 122.960 122.960 120.429 2.531 17827 5954 1 12 . 1 1 91 91 ILE HA H 84 3.370 3.370 4.136 -0.766 17827 5955 1 12 . 1 1 91 91 ILE C C 84 173.611 173.611 174.892 -1.281 17827 5956 1 12 . 1 1 91 91 ILE CA C 84 61.700 61.700 61.291 0.409 17827 5957 1 12 . 1 1 91 91 ILE CB C 84 37.610 37.610 39.156 -1.546 17827 5958 1 12 . 1 1 91 91 ILE H H 84 7.850 7.850 7.936 -0.086 17827 5959 1 12 . 1 1 92 92 GLN N N 85 125.429 125.429 124.037 1.392 17827 5960 1 12 . 1 1 92 92 GLN HA H 85 3.880 3.880 3.530 0.350 17827 5961 1 12 . 1 1 92 92 GLN C C 85 174.756 174.756 174.984 -0.228 17827 5962 1 12 . 1 1 92 92 GLN CA C 85 53.720 53.720 54.579 -0.859 17827 5963 1 12 . 1 1 92 92 GLN CB C 85 31.150 31.150 30.851 0.299 17827 5964 1 12 . 1 1 92 92 GLN H H 85 7.700 7.700 8.031 -0.331 17827 5965 1 12 . 1 1 93 93 ALA N N 86 118.217 118.217 120.915 -2.698 17827 5966 1 12 . 1 1 93 93 ALA HA H 86 3.800 3.800 4.465 -0.665 17827 5967 1 12 . 1 1 93 93 ALA C C 86 177.201 177.201 177.413 -0.212 17827 5968 1 12 . 1 1 93 93 ALA CA C 86 54.080 54.080 53.279 0.801 17827 5969 1 12 . 1 1 93 93 ALA CB C 86 18.410 18.410 18.785 -0.375 17827 5970 1 12 . 1 1 93 93 ALA H H 86 6.886 6.886 8.122 -1.236 17827 5971 1 12 . 1 1 94 94 ASP N N 87 113.647 113.647 117.513 -3.866 17827 5972 1 12 . 1 1 94 94 ASP HA H 87 4.420 4.420 4.524 -0.104 17827 5973 1 12 . 1 1 94 94 ASP C C 87 176.218 176.218 175.202 1.016 17827 5974 1 12 . 1 1 94 94 ASP CA C 87 54.060 54.060 53.879 0.181 17827 5975 1 12 . 1 1 94 94 ASP CB C 87 39.600 39.600 40.971 -1.371 17827 5976 1 12 . 1 1 94 94 ASP H H 87 8.223 8.223 8.001 0.222 17827 5977 1 12 . 1 1 95 95 ALA N N 88 124.145 124.145 122.762 1.383 17827 5978 1 12 . 1 1 95 95 ALA HA H 88 4.306 4.306 4.594 -0.288 17827 5979 1 12 . 1 1 95 95 ALA C C 88 176.630 176.630 176.278 0.352 17827 5980 1 12 . 1 1 95 95 ALA CA C 88 53.320 53.320 51.645 1.675 17827 5981 1 12 . 1 1 95 95 ALA CB C 88 20.020 20.020 19.723 0.297 17827 5982 1 12 . 1 1 95 95 ALA H H 88 7.941 7.941 7.139 0.802 17827 5983 1 12 . 1 1 96 96 LYS N N 89 120.897 120.897 126.038 -5.141 17827 5984 1 12 . 1 1 96 96 LYS HA H 89 4.826 4.826 4.810 0.016 17827 5985 1 12 . 1 1 96 96 LYS C C 89 176.161 176.161 176.154 0.007 17827 5986 1 12 . 1 1 96 96 LYS CA C 89 54.736 54.736 55.049 -0.313 17827 5987 1 12 . 1 1 96 96 LYS CB C 89 32.390 32.390 32.392 -0.001 17827 5988 1 12 . 1 1 96 96 LYS H H 89 8.500 8.500 8.563 -0.063 17827 5989 1 12 . 1 1 97 97 LEU N N 90 122.960 122.960 124.671 -1.711 17827 5990 1 12 . 1 1 97 97 LEU HA H 90 5.075 5.075 4.256 0.819 17827 5991 1 12 . 1 1 97 97 LEU C C 90 176.394 176.394 176.210 0.184 17827 5992 1 12 . 1 1 97 97 LEU CA C 90 53.060 53.060 54.580 -1.520 17827 5993 1 12 . 1 1 97 97 LEU CB C 90 44.850 44.850 43.029 1.821 17827 5994 1 12 . 1 1 97 97 LEU H H 90 8.566 8.566 8.741 -0.175 17827 5995 1 12 . 1 1 98 98 GLN N N 91 119.538 119.538 114.288 5.250 17827 5996 1 12 . 1 1 98 98 GLN HA H 91 5.710 5.710 4.830 0.880 17827 5997 1 12 . 1 1 98 98 GLN C C 91 174.144 174.144 174.499 -0.355 17827 5998 1 12 . 1 1 98 98 GLN CA C 91 54.360 54.360 54.547 -0.188 17827 5999 1 12 . 1 1 98 98 GLN CB C 91 32.290 32.290 32.752 -0.462 17827 6000 1 12 . 1 1 98 98 GLN H H 91 9.060 9.060 7.829 1.231 17827 6001 1 12 . 1 1 99 99 PHE N N 92 125.674 125.674 120.131 5.543 17827 6002 1 12 . 1 1 99 99 PHE HA H 92 5.700 5.700 5.209 0.491 17827 6003 1 12 . 1 1 99 99 PHE C C 92 174.537 174.537 174.365 0.172 17827 6004 1 12 . 1 1 99 99 PHE CA C 92 54.190 54.190 55.678 -1.488 17827 6005 1 12 . 1 1 99 99 PHE CB C 92 41.080 41.080 43.728 -2.648 17827 6006 1 12 . 1 1 99 99 PHE H H 92 9.290 9.290 9.688 -0.398 17827 6007 1 12 . 1 1 100 100 THR N N 93 124.543 124.543 119.285 5.258 17827 6008 1 12 . 1 1 100 100 THR HA H 93 5.100 5.100 4.828 0.272 17827 6009 1 12 . 1 1 100 100 THR C C 93 180.164 180.164 172.095 8.069 17827 6010 1 12 . 1 1 100 100 THR CA C 93 58.830 58.830 59.724 -0.894 17827 6011 1 12 . 1 1 100 100 THR CB C 93 73.610 73.610 69.993 3.617 17827 6012 1 12 . 1 1 100 100 THR H H 93 8.945 8.945 9.607 -0.662 17827 6013 1 13 . 1 1 9 9 ALA N N 2 124.336 124.336 122.036 2.300 17827 6014 1 13 . 1 1 9 9 ALA HA H 2 4.210 4.210 4.650 -0.440 17827 6015 1 13 . 1 1 9 9 ALA C C 2 177.598 177.598 177.365 0.233 17827 6016 1 13 . 1 1 9 9 ALA CA C 2 52.440 52.440 51.806 0.634 17827 6017 1 13 . 1 1 9 9 ALA CB C 2 19.030 19.030 18.963 0.067 17827 6018 1 13 . 1 1 9 9 ALA H H 2 8.018 8.018 8.517 -0.499 17827 6019 1 13 . 1 1 10 10 LEU N N 3 121.125 121.125 120.661 0.464 17827 6020 1 13 . 1 1 10 10 LEU HA H 3 4.210 4.210 3.972 0.238 17827 6021 1 13 . 1 1 10 10 LEU C C 3 177.094 177.094 177.405 -0.311 17827 6022 1 13 . 1 1 10 10 LEU CA C 3 55.320 55.320 56.529 -1.209 17827 6023 1 13 . 1 1 10 10 LEU CB C 3 42.170 42.170 41.904 0.266 17827 6024 1 13 . 1 1 10 10 LEU H H 3 8.057 8.057 8.164 -0.107 17827 6025 1 13 . 1 1 11 11 ASP N N 4 119.766 119.766 116.048 3.718 17827 6026 1 13 . 1 1 11 11 ASP HA H 4 4.475 4.475 4.401 0.074 17827 6027 1 13 . 1 1 11 11 ASP C C 4 176.509 176.509 177.873 -1.364 17827 6028 1 13 . 1 1 11 11 ASP CA C 4 54.550 54.550 55.153 -0.603 17827 6029 1 13 . 1 1 11 11 ASP CB C 4 40.950 40.950 40.053 0.897 17827 6030 1 13 . 1 1 11 11 ASP H H 4 8.145 8.145 8.271 -0.126 17827 6031 1 13 . 1 1 12 12 GLY N N 5 108.440 108.440 107.686 0.754 17827 6032 1 13 . 1 1 12 12 GLY C C 5 173.692 173.692 175.924 -2.232 17827 6033 1 13 . 1 1 12 12 GLY CA C 5 45.310 45.310 46.062 -0.752 17827 6034 1 13 . 1 1 12 12 GLY H H 5 8.110 8.110 8.729 -0.619 17827 6035 1 13 . 1 1 13 13 ILE N N 6 119.766 119.766 120.350 -0.584 17827 6036 1 13 . 1 1 13 13 ILE HA H 6 4.100 4.100 3.597 0.503 17827 6037 1 13 . 1 1 13 13 ILE C C 6 175.525 175.525 177.593 -2.068 17827 6038 1 13 . 1 1 13 13 ILE CA C 6 60.710 60.710 63.274 -2.564 17827 6039 1 13 . 1 1 13 13 ILE CB C 6 38.430 38.430 37.367 1.063 17827 6040 1 13 . 1 1 13 13 ILE H H 6 7.790 7.790 7.870 -0.080 17827 6041 1 13 . 1 1 14 14 ARG N N 7 125.657 125.657 119.860 5.797 17827 6042 1 13 . 1 1 14 14 ARG HA H 7 4.210 4.210 4.227 -0.017 17827 6043 1 13 . 1 1 14 14 ARG C C 7 175.810 175.810 176.173 -0.363 17827 6044 1 13 . 1 1 14 14 ARG CA C 7 55.640 55.640 57.491 -1.851 17827 6045 1 13 . 1 1 14 14 ARG CB C 7 30.990 30.990 30.786 0.204 17827 6046 1 13 . 1 1 14 14 ARG H H 7 8.410 8.410 7.846 0.564 17827 6047 1 13 . 1 1 15 15 MET N N 8 123.598 123.598 115.073 8.525 17827 6048 1 13 . 1 1 15 15 MET HA H 8 4.210 4.210 4.980 -0.770 17827 6049 1 13 . 1 1 15 15 MET C C 8 174.950 174.950 174.462 0.488 17827 6050 1 13 . 1 1 15 15 MET CA C 8 55.330 55.330 53.161 2.169 17827 6051 1 13 . 1 1 15 15 MET CB C 8 31.730 31.730 31.908 -0.178 17827 6052 1 13 . 1 1 15 15 MET H H 8 8.495 8.495 7.682 0.813 17827 6053 1 13 . 1 1 16 16 PRO HA H 9 4.290 4.290 4.300 -0.010 17827 6054 1 13 . 1 1 16 16 PRO C C 9 176.228 176.228 176.516 -0.288 17827 6055 1 13 . 1 1 16 16 PRO CA C 9 63.370 63.370 64.929 -1.559 17827 6056 1 13 . 1 1 16 16 PRO CB C 9 31.820 31.820 30.939 0.881 17827 6057 1 13 . 1 1 17 17 ASP N N 10 117.952 117.952 116.007 1.945 17827 6058 1 13 . 1 1 17 17 ASP HA H 10 4.420 4.420 4.612 -0.192 17827 6059 1 13 . 1 1 17 17 ASP C C 10 176.714 176.714 176.556 0.158 17827 6060 1 13 . 1 1 17 17 ASP CA C 10 54.130 54.130 54.970 -0.840 17827 6061 1 13 . 1 1 17 17 ASP CB C 10 40.430 40.430 40.399 0.031 17827 6062 1 13 . 1 1 17 17 ASP H H 10 8.076 8.076 7.965 0.111 17827 6063 1 13 . 1 1 18 18 GLY N N 11 108.663 108.663 106.160 2.503 17827 6064 1 13 . 1 1 18 18 GLY C C 11 173.819 173.819 175.173 -1.354 17827 6065 1 13 . 1 1 18 18 GLY CA C 11 45.300 45.300 45.462 -0.162 17827 6066 1 13 . 1 1 18 18 GLY H H 11 8.255 8.255 7.661 0.594 17827 6067 1 13 . 1 1 19 19 CYS N N 12 118.179 118.179 120.898 -2.719 17827 6068 1 13 . 1 1 19 19 CYS HA H 12 4.550 4.550 4.346 0.204 17827 6069 1 13 . 1 1 19 19 CYS C C 12 174.073 174.073 174.639 -0.566 17827 6070 1 13 . 1 1 19 19 CYS CA C 12 58.420 58.420 62.226 -3.806 17827 6071 1 13 . 1 1 19 19 CYS CB C 12 28.400 28.400 28.520 -0.121 17827 6072 1 13 . 1 1 19 19 CYS H H 12 7.850 7.850 8.231 -0.381 17827 6073 1 13 . 1 1 20 20 TYR N N 13 120.897 120.897 121.296 -0.399 17827 6074 1 13 . 1 1 20 20 TYR HA H 13 4.550 4.550 4.574 -0.024 17827 6075 1 13 . 1 1 20 20 TYR C C 13 176.748 176.748 174.197 2.551 17827 6076 1 13 . 1 1 20 20 TYR CA C 13 58.470 58.470 57.147 1.323 17827 6077 1 13 . 1 1 20 20 TYR CB C 13 39.210 39.210 37.081 2.129 17827 6078 1 13 . 1 1 20 20 TYR H H 13 8.550 8.550 8.266 0.284 17827 6079 1 13 . 1 1 21 21 ALA N N 14 124.750 124.750 128.228 -3.478 17827 6080 1 13 . 1 1 21 21 ALA HA H 14 4.190 4.190 3.738 0.452 17827 6081 1 13 . 1 1 21 21 ALA C C 14 177.181 177.181 177.249 -0.068 17827 6082 1 13 . 1 1 21 21 ALA CA C 14 53.530 53.530 54.590 -1.060 17827 6083 1 13 . 1 1 21 21 ALA CB C 14 18.630 18.630 17.594 1.036 17827 6084 1 13 . 1 1 21 21 ALA H H 14 8.615 8.615 7.731 0.884 17827 6085 1 13 . 1 1 22 22 ASP N N 15 117.500 117.500 122.425 -4.925 17827 6086 1 13 . 1 1 22 22 ASP HA H 15 4.480 4.480 4.601 -0.121 17827 6087 1 13 . 1 1 22 22 ASP C C 15 176.708 176.708 178.248 -1.540 17827 6088 1 13 . 1 1 22 22 ASP CA C 15 53.500 53.500 53.810 -0.310 17827 6089 1 13 . 1 1 22 22 ASP CB C 15 40.730 40.730 41.401 -0.671 17827 6090 1 13 . 1 1 22 22 ASP H H 15 7.960 7.960 8.379 -0.419 17827 6091 1 13 . 1 1 23 23 GLY N N 16 108.891 108.891 110.315 -1.424 17827 6092 1 13 . 1 1 23 23 GLY C C 16 174.373 174.373 173.634 0.739 17827 6093 1 13 . 1 1 23 23 GLY CA C 16 45.370 45.370 46.480 -1.110 17827 6094 1 13 . 1 1 23 23 GLY H H 16 8.344 8.344 8.680 -0.336 17827 6095 1 13 . 1 1 24 24 THR N N 17 110.929 110.929 109.754 1.175 17827 6096 1 13 . 1 1 24 24 THR HA H 17 4.640 4.640 4.553 0.087 17827 6097 1 13 . 1 1 24 24 THR C C 17 173.620 173.620 173.329 0.291 17827 6098 1 13 . 1 1 24 24 THR CA C 17 60.540 60.540 60.312 0.228 17827 6099 1 13 . 1 1 24 24 THR CB C 17 72.100 72.100 70.985 1.115 17827 6100 1 13 . 1 1 24 24 THR H H 17 7.850 7.850 7.597 0.253 17827 6101 1 13 . 1 1 25 25 TRP N N 18 117.728 117.728 119.709 -1.981 17827 6102 1 13 . 1 1 25 25 TRP HA H 18 4.945 4.945 5.084 -0.139 17827 6103 1 13 . 1 1 25 25 TRP C C 18 174.164 174.164 173.695 0.469 17827 6104 1 13 . 1 1 25 25 TRP CA C 18 54.620 54.620 56.269 -1.649 17827 6105 1 13 . 1 1 25 25 TRP CB C 18 30.650 30.650 29.777 0.872 17827 6106 1 13 . 1 1 25 25 TRP H H 18 8.640 8.640 7.503 1.137 17827 6107 1 13 . 1 1 26 26 GLU N N 19 117.728 117.728 118.223 -0.495 17827 6108 1 13 . 1 1 26 26 GLU HA H 19 4.851 4.851 4.823 0.028 17827 6109 1 13 . 1 1 26 26 GLU C C 19 174.786 174.786 174.842 -0.056 17827 6110 1 13 . 1 1 26 26 GLU CA C 19 55.710 55.710 54.869 0.841 17827 6111 1 13 . 1 1 26 26 GLU CB C 19 31.500 31.500 32.377 -0.877 17827 6112 1 13 . 1 1 26 26 GLU H H 19 8.744 8.744 8.530 0.214 17827 6113 1 13 . 1 1 27 27 LEU N N 20 126.668 126.668 119.299 7.369 17827 6114 1 13 . 1 1 27 27 LEU HA H 20 4.880 4.880 4.794 0.086 17827 6115 1 13 . 1 1 27 27 LEU C C 20 175.123 175.123 175.366 -0.243 17827 6116 1 13 . 1 1 27 27 LEU CA C 20 53.252 53.252 53.608 -0.356 17827 6117 1 13 . 1 1 27 27 LEU CB C 20 45.280 45.280 46.863 -1.583 17827 6118 1 13 . 1 1 27 27 LEU H H 20 8.980 8.980 8.826 0.154 17827 6119 1 13 . 1 1 28 28 SER N N 21 121.804 121.804 117.607 4.197 17827 6120 1 13 . 1 1 28 28 SER HA H 21 4.894 4.894 5.097 -0.203 17827 6121 1 13 . 1 1 28 28 SER C C 21 173.483 173.483 172.996 0.487 17827 6122 1 13 . 1 1 28 28 SER CA C 21 57.880 57.880 56.879 1.001 17827 6123 1 13 . 1 1 28 28 SER CB C 21 63.920 63.920 64.617 -0.697 17827 6124 1 13 . 1 1 28 28 SER H H 21 8.785 8.785 8.550 0.235 17827 6125 1 13 . 1 1 29 29 VAL N N 22 125.881 125.881 122.976 2.905 17827 6126 1 13 . 1 1 29 29 VAL HA H 22 4.370 4.370 4.482 -0.112 17827 6127 1 13 . 1 1 29 29 VAL C C 22 173.953 173.953 174.877 -0.924 17827 6128 1 13 . 1 1 29 29 VAL CA C 22 60.440 60.440 60.083 0.357 17827 6129 1 13 . 1 1 29 29 VAL CB C 22 34.350 34.350 35.890 -1.540 17827 6130 1 13 . 1 1 29 29 VAL H H 22 8.865 8.865 8.427 0.438 17827 6131 1 13 . 1 1 30 30 HIS N N 23 126.560 126.560 123.143 3.417 17827 6132 1 13 . 1 1 30 30 HIS HA H 23 5.220 5.220 4.804 0.416 17827 6133 1 13 . 1 1 30 30 HIS C C 23 174.596 174.596 173.753 0.843 17827 6134 1 13 . 1 1 30 30 HIS CA C 23 55.250 55.250 55.452 -0.202 17827 6135 1 13 . 1 1 30 30 HIS CB C 23 30.550 30.550 33.212 -2.662 17827 6136 1 13 . 1 1 30 30 HIS H H 23 8.810 8.810 8.514 0.296 17827 6137 1 13 . 1 1 31 31 VAL N N 24 130.587 130.587 127.493 3.094 17827 6138 1 13 . 1 1 31 31 VAL HA H 24 5.230 5.230 4.645 0.585 17827 6139 1 13 . 1 1 31 31 VAL C C 24 177.426 177.426 177.414 0.012 17827 6140 1 13 . 1 1 31 31 VAL CA C 24 55.530 55.530 61.866 -6.336 17827 6141 1 13 . 1 1 31 31 VAL CB C 24 31.040 31.040 31.090 -0.049 17827 6142 1 13 . 1 1 31 31 VAL H H 24 9.043 9.043 8.769 0.274 17827 6143 1 13 . 1 1 32 32 THR N N 25 122.484 122.484 121.084 1.400 17827 6144 1 13 . 1 1 32 32 THR HA H 25 3.970 3.970 4.424 -0.454 17827 6145 1 13 . 1 1 32 32 THR C C 25 177.437 177.437 175.772 1.665 17827 6146 1 13 . 1 1 32 32 THR CA C 25 66.470 66.470 64.372 2.098 17827 6147 1 13 . 1 1 32 32 THR CB C 25 68.220 68.220 69.169 -0.949 17827 6148 1 13 . 1 1 32 32 THR H H 25 8.245 8.245 8.816 -0.571 17827 6149 1 13 . 1 1 34 34 VAL N N 27 114.090 114.090 115.818 -1.728 17827 6150 1 13 . 1 1 34 34 VAL HA H 27 4.500 4.500 4.132 0.368 17827 6151 1 13 . 1 1 34 34 VAL CA C 27 54.220 54.220 62.297 -8.077 17827 6152 1 13 . 1 1 34 34 VAL CB C 27 27.060 27.060 33.756 -6.696 17827 6153 1 13 . 1 1 34 34 VAL H H 27 6.977 6.977 7.343 -0.366 17827 6154 1 13 . 1 1 35 35 ASN N N 28 116.829 116.829 115.988 0.841 17827 6155 1 13 . 1 1 35 35 ASN HA H 28 4.299 4.299 4.474 -0.175 17827 6156 1 13 . 1 1 35 35 ASN CA C 28 53.650 53.650 54.166 -0.516 17827 6157 1 13 . 1 1 35 35 ASN CB C 28 37.110 37.110 37.736 -0.626 17827 6158 1 13 . 1 1 35 35 ASN H H 28 7.897 7.897 7.955 -0.058 17827 6159 1 13 . 1 1 36 36 ARG N N 29 114.310 114.310 117.631 -3.321 17827 6160 1 13 . 1 1 36 36 ARG HA H 29 4.700 4.700 4.781 -0.081 17827 6161 1 13 . 1 1 36 36 ARG C C 29 173.347 173.347 174.027 -0.680 17827 6162 1 13 . 1 1 36 36 ARG CA C 29 54.900 54.900 54.654 0.247 17827 6163 1 13 . 1 1 36 36 ARG CB C 29 34.700 34.700 32.916 1.784 17827 6164 1 13 . 1 1 36 36 ARG H H 29 6.787 6.787 7.716 -0.929 17827 6165 1 13 . 1 1 37 37 ASP N N 30 124.071 124.071 119.389 4.682 17827 6166 1 13 . 1 1 37 37 ASP HA H 30 5.475 5.475 4.721 0.754 17827 6167 1 13 . 1 1 37 37 ASP C C 30 175.354 175.354 174.614 0.740 17827 6168 1 13 . 1 1 37 37 ASP CA C 30 53.660 53.660 53.462 0.198 17827 6169 1 13 . 1 1 37 37 ASP CB C 30 42.260 42.260 43.426 -1.166 17827 6170 1 13 . 1 1 37 37 ASP H H 30 8.760 8.760 8.415 0.345 17827 6171 1 13 . 1 1 38 38 VAL N N 31 123.300 123.300 118.433 4.867 17827 6172 1 13 . 1 1 38 38 VAL HA H 31 4.270 4.270 4.531 -0.261 17827 6173 1 13 . 1 1 38 38 VAL C C 31 174.203 174.203 174.337 -0.134 17827 6174 1 13 . 1 1 38 38 VAL CA C 31 60.700 60.700 59.912 0.788 17827 6175 1 13 . 1 1 38 38 VAL CB C 31 34.620 34.620 36.086 -1.466 17827 6176 1 13 . 1 1 38 38 VAL H H 31 9.187 9.187 7.954 1.233 17827 6177 1 13 . 1 1 39 39 THR N N 32 119.766 119.766 113.948 5.818 17827 6178 1 13 . 1 1 39 39 THR HA H 32 5.095 5.095 4.941 0.154 17827 6179 1 13 . 1 1 39 39 THR C C 32 173.547 173.547 173.065 0.482 17827 6180 1 13 . 1 1 39 39 THR CA C 32 60.550 60.550 60.212 0.338 17827 6181 1 13 . 1 1 39 39 THR CB C 32 70.170 70.170 71.011 -0.841 17827 6182 1 13 . 1 1 39 39 THR H H 32 8.360 8.360 8.162 0.198 17827 6183 1 13 . 1 1 40 40 LEU N N 33 124.522 124.522 122.045 2.477 17827 6184 1 13 . 1 1 40 40 LEU HA H 33 4.590 4.590 4.603 -0.013 17827 6185 1 13 . 1 1 40 40 LEU C C 33 174.691 174.691 175.808 -1.117 17827 6186 1 13 . 1 1 40 40 LEU CA C 33 52.580 52.580 53.440 -0.860 17827 6187 1 13 . 1 1 40 40 LEU CB C 33 45.410 45.410 44.575 0.834 17827 6188 1 13 . 1 1 40 40 LEU H H 33 8.750 8.750 8.196 0.554 17827 6189 1 13 . 1 1 41 41 ARG N N 34 122.712 122.712 124.983 -2.271 17827 6190 1 13 . 1 1 41 41 ARG HA H 34 4.680 4.680 4.731 -0.051 17827 6191 1 13 . 1 1 41 41 ARG C C 34 175.700 175.700 174.608 1.092 17827 6192 1 13 . 1 1 41 41 ARG CA C 34 55.420 55.420 54.807 0.613 17827 6193 1 13 . 1 1 41 41 ARG CB C 34 29.500 29.500 29.651 -0.151 17827 6194 1 13 . 1 1 41 41 ARG H H 34 8.345 8.345 8.814 -0.469 17827 6195 1 13 . 1 1 42 42 VAL N N 35 117.728 117.728 118.627 -0.899 17827 6196 1 13 . 1 1 42 42 VAL HA H 35 4.465 4.465 4.452 0.013 17827 6197 1 13 . 1 1 42 42 VAL C C 35 173.184 173.184 173.592 -0.408 17827 6198 1 13 . 1 1 42 42 VAL CA C 35 58.670 58.670 59.062 -0.393 17827 6199 1 13 . 1 1 42 42 VAL CB C 35 36.050 36.050 34.765 1.285 17827 6200 1 13 . 1 1 42 42 VAL H H 35 8.640 8.640 7.868 0.772 17827 6201 1 13 . 1 1 43 43 THR N N 36 104.359 104.359 108.070 -3.711 17827 6202 1 13 . 1 1 43 43 THR HA H 36 4.660 4.660 2.442 2.218 17827 6203 1 13 . 1 1 43 43 THR C C 36 174.862 174.862 175.140 -0.278 17827 6204 1 13 . 1 1 43 43 THR CA C 36 59.010 59.010 59.243 -0.233 17827 6205 1 13 . 1 1 43 43 THR CB C 36 71.570 71.570 71.683 -0.113 17827 6206 1 13 . 1 1 43 43 THR H H 36 6.220 6.220 7.674 -1.454 17827 6207 1 13 . 1 1 44 44 GLY N N 37 105.946 105.946 107.667 -1.721 17827 6208 1 13 . 1 1 44 44 GLY C C 37 173.394 173.394 174.640 -1.246 17827 6209 1 13 . 1 1 44 44 GLY CA C 37 46.830 46.830 46.887 -0.057 17827 6210 1 13 . 1 1 44 44 GLY H H 37 9.160 9.160 8.775 0.385 17827 6211 1 13 . 1 1 45 45 GLU N N 38 113.875 113.875 117.469 -3.594 17827 6212 1 13 . 1 1 45 45 GLU HA H 38 4.290 4.290 4.227 0.063 17827 6213 1 13 . 1 1 45 45 GLU C C 38 176.167 176.167 176.734 -0.567 17827 6214 1 13 . 1 1 45 45 GLU CA C 38 55.500 55.500 56.128 -0.628 17827 6215 1 13 . 1 1 45 45 GLU CB C 38 30.950 30.950 29.747 1.203 17827 6216 1 13 . 1 1 45 45 GLU H H 38 7.500 7.500 7.248 0.252 17827 6217 1 13 . 1 1 46 46 VAL N N 39 121.577 121.577 122.477 -0.900 17827 6218 1 13 . 1 1 46 46 VAL HA H 39 3.820 3.820 3.834 -0.014 17827 6219 1 13 . 1 1 46 46 VAL C C 39 174.651 174.651 175.154 -0.503 17827 6220 1 13 . 1 1 46 46 VAL CA C 39 63.920 63.920 62.470 1.450 17827 6221 1 13 . 1 1 46 46 VAL CB C 39 31.590 31.590 32.745 -1.155 17827 6222 1 13 . 1 1 46 46 VAL H H 39 7.260 7.260 7.598 -0.338 17827 6223 1 13 . 1 1 47 47 HIS N N 40 123.391 123.391 126.825 -3.434 17827 6224 1 13 . 1 1 47 47 HIS HA H 40 5.212 5.212 4.609 0.603 17827 6225 1 13 . 1 1 47 47 HIS C C 40 177.440 177.440 176.728 0.712 17827 6226 1 13 . 1 1 47 47 HIS CA C 40 54.660 54.660 55.561 -0.901 17827 6227 1 13 . 1 1 47 47 HIS CB C 40 30.910 30.910 30.532 0.378 17827 6228 1 13 . 1 1 47 47 HIS H H 40 8.285 8.285 8.199 0.086 17827 6229 1 13 . 1 1 48 48 ILE N N 41 124.071 124.071 123.382 0.689 17827 6230 1 13 . 1 1 48 48 ILE HA H 41 3.530 3.530 3.887 -0.357 17827 6231 1 13 . 1 1 48 48 ILE C C 41 178.941 178.941 177.952 0.989 17827 6232 1 13 . 1 1 48 48 ILE CA C 41 62.330 62.330 65.627 -3.297 17827 6233 1 13 . 1 1 48 48 ILE CB C 41 34.230 34.230 37.772 -3.542 17827 6234 1 13 . 1 1 48 48 ILE H H 41 8.863 8.863 8.034 0.829 17827 6235 1 13 . 1 1 49 49 GLY N N 42 106.853 106.853 105.006 1.847 17827 6236 1 13 . 1 1 49 49 GLY C C 42 175.669 175.669 175.258 0.411 17827 6237 1 13 . 1 1 49 49 GLY CA C 42 45.320 45.320 46.145 -0.825 17827 6238 1 13 . 1 1 49 49 GLY H H 42 9.720 9.720 8.024 1.696 17827 6239 1 13 . 1 1 50 50 GLY N N 43 109.571 109.571 109.080 0.491 17827 6240 1 13 . 1 1 50 50 GLY C C 43 175.847 175.847 175.322 0.525 17827 6241 1 13 . 1 1 50 50 GLY CA C 43 47.000 47.000 45.411 1.589 17827 6242 1 13 . 1 1 50 50 GLY H H 43 6.950 6.950 8.254 -1.304 17827 6243 1 13 . 1 1 51 51 VAL N N 44 123.163 123.163 124.574 -1.411 17827 6244 1 13 . 1 1 51 51 VAL HA H 44 3.115 3.115 3.603 -0.488 17827 6245 1 13 . 1 1 51 51 VAL C C 44 176.804 176.804 177.901 -1.097 17827 6246 1 13 . 1 1 51 51 VAL CA C 44 66.660 66.660 67.106 -0.446 17827 6247 1 13 . 1 1 51 51 VAL CB C 44 30.730 30.730 32.117 -1.387 17827 6248 1 13 . 1 1 51 51 VAL H H 44 7.860 7.860 8.649 -0.789 17827 6249 1 13 . 1 1 52 52 MET N N 45 115.913 115.913 117.649 -1.736 17827 6250 1 13 . 1 1 52 52 MET HA H 45 3.410 3.410 4.388 -0.978 17827 6251 1 13 . 1 1 52 52 MET C C 45 176.881 176.881 178.064 -1.183 17827 6252 1 13 . 1 1 52 52 MET CA C 45 59.830 59.830 59.505 0.325 17827 6253 1 13 . 1 1 52 52 MET CB C 45 32.310 32.310 32.096 0.214 17827 6254 1 13 . 1 1 52 52 MET H H 45 7.940 7.940 7.829 0.111 17827 6255 1 13 . 1 1 53 53 LEU N N 46 118.291 118.291 121.132 -2.841 17827 6256 1 13 . 1 1 53 53 LEU HA H 46 3.940 3.940 3.857 0.083 17827 6257 1 13 . 1 1 53 53 LEU C C 46 179.178 179.178 179.025 0.153 17827 6258 1 13 . 1 1 53 53 LEU CA C 46 58.500 58.500 57.762 0.738 17827 6259 1 13 . 1 1 53 53 LEU CB C 46 41.930 41.930 41.128 0.802 17827 6260 1 13 . 1 1 53 53 LEU H H 46 7.550 7.550 7.570 -0.020 17827 6261 1 13 . 1 1 54 54 LYS N N 47 118.142 118.142 119.084 -0.942 17827 6262 1 13 . 1 1 54 54 LYS HA H 47 3.870 3.870 4.038 -0.168 17827 6263 1 13 . 1 1 54 54 LYS C C 47 178.616 178.616 179.202 -0.586 17827 6264 1 13 . 1 1 54 54 LYS CA C 47 57.980 57.980 59.264 -1.284 17827 6265 1 13 . 1 1 54 54 LYS CB C 47 32.320 32.320 32.047 0.273 17827 6266 1 13 . 1 1 54 54 LYS H H 47 7.665 7.665 8.503 -0.838 17827 6267 1 13 . 1 1 55 55 LEU N N 48 119.385 119.385 120.207 -0.822 17827 6268 1 13 . 1 1 55 55 LEU HA H 48 3.570 3.570 4.281 -0.711 17827 6269 1 13 . 1 1 55 55 LEU C C 48 177.405 177.405 177.884 -0.479 17827 6270 1 13 . 1 1 55 55 LEU CA C 48 57.790 57.790 57.834 -0.044 17827 6271 1 13 . 1 1 55 55 LEU CB C 48 41.590 41.590 41.914 -0.324 17827 6272 1 13 . 1 1 55 55 LEU H H 48 7.975 7.975 7.596 0.379 17827 6273 1 13 . 1 1 56 56 VAL N N 49 116.141 116.141 120.584 -4.443 17827 6274 1 13 . 1 1 56 56 VAL HA H 49 2.990 2.990 3.466 -0.476 17827 6275 1 13 . 1 1 56 56 VAL C C 49 178.564 178.564 178.132 0.432 17827 6276 1 13 . 1 1 56 56 VAL CA C 49 66.310 66.310 67.258 -0.948 17827 6277 1 13 . 1 1 56 56 VAL CB C 49 31.300 31.300 31.140 0.160 17827 6278 1 13 . 1 1 56 56 VAL H H 49 7.615 7.615 8.944 -1.329 17827 6279 1 13 . 1 1 57 57 GLU N N 50 118.631 118.631 119.526 -0.895 17827 6280 1 13 . 1 1 57 57 GLU HA H 50 3.965 3.965 3.906 0.059 17827 6281 1 13 . 1 1 57 57 GLU C C 50 178.030 178.030 178.509 -0.479 17827 6282 1 13 . 1 1 57 57 GLU CA C 50 58.500 58.500 59.135 -0.635 17827 6283 1 13 . 1 1 57 57 GLU CB C 50 29.610 29.610 29.234 0.376 17827 6284 1 13 . 1 1 57 57 GLU H H 50 7.575 7.575 8.848 -1.273 17827 6285 1 13 . 1 1 58 58 LYS N N 51 117.053 117.053 118.944 -1.891 17827 6286 1 13 . 1 1 58 58 LYS HA H 51 4.130 4.130 4.036 0.094 17827 6287 1 13 . 1 1 58 58 LYS C C 51 176.956 176.956 178.581 -1.625 17827 6288 1 13 . 1 1 58 58 LYS CA C 51 56.660 56.660 58.855 -2.195 17827 6289 1 13 . 1 1 58 58 LYS CB C 51 32.660 32.660 32.821 -0.161 17827 6290 1 13 . 1 1 58 58 LYS H H 51 7.490 7.490 7.425 0.065 17827 6291 1 13 . 1 1 59 59 LEU N N 52 119.460 119.460 118.092 1.368 17827 6292 1 13 . 1 1 59 59 LEU HA H 52 4.122 4.122 4.091 0.031 17827 6293 1 13 . 1 1 59 59 LEU C C 52 176.645 176.645 177.403 -0.758 17827 6294 1 13 . 1 1 59 59 LEU CA C 52 56.660 56.660 56.342 0.318 17827 6295 1 13 . 1 1 59 59 LEU CB C 52 42.700 42.700 42.620 0.080 17827 6296 1 13 . 1 1 59 59 LEU H H 52 7.470 7.470 8.080 -0.610 17827 6297 1 13 . 1 1 62 62 LYS C C 55 175.670 175.670 175.184 0.486 17827 6298 1 13 . 1 1 63 63 LYS N N 56 122.430 122.430 121.416 1.014 17827 6299 1 13 . 1 1 63 63 LYS HA H 56 4.030 4.030 4.499 -0.469 17827 6300 1 13 . 1 1 63 63 LYS C C 56 172.850 172.850 176.312 -3.462 17827 6301 1 13 . 1 1 63 63 LYS CA C 56 54.530 54.530 56.562 -2.032 17827 6302 1 13 . 1 1 63 63 LYS CB C 56 34.440 34.440 33.322 1.118 17827 6303 1 13 . 1 1 63 63 LYS H H 56 7.245 7.245 8.015 -0.770 17827 6304 1 13 . 1 1 64 64 ASP N N 57 118.867 118.867 121.876 -3.009 17827 6305 1 13 . 1 1 64 64 ASP HA H 57 4.530 4.530 4.342 0.188 17827 6306 1 13 . 1 1 64 64 ASP C C 57 176.710 176.710 175.942 0.768 17827 6307 1 13 . 1 1 64 64 ASP CA C 57 52.500 52.500 54.447 -1.947 17827 6308 1 13 . 1 1 64 64 ASP CB C 57 40.320 40.320 40.890 -0.570 17827 6309 1 13 . 1 1 64 64 ASP H H 57 7.867 7.867 8.409 -0.542 17827 6310 1 13 . 1 1 65 65 TRP N N 58 128.827 128.827 121.725 7.102 17827 6311 1 13 . 1 1 65 65 TRP HA H 58 4.540 4.540 4.778 -0.238 17827 6312 1 13 . 1 1 65 65 TRP C C 58 178.390 178.390 177.509 0.881 17827 6313 1 13 . 1 1 65 65 TRP CA C 58 52.860 52.860 58.522 -5.662 17827 6314 1 13 . 1 1 65 65 TRP CB C 58 29.420 29.420 28.784 0.636 17827 6315 1 13 . 1 1 65 65 TRP H H 58 8.790 8.790 8.144 0.646 17827 6316 1 13 . 1 1 66 66 SER N N 59 117.724 117.724 114.370 3.354 17827 6317 1 13 . 1 1 66 66 SER HA H 59 4.143 4.143 4.576 -0.433 17827 6318 1 13 . 1 1 66 66 SER C C 59 174.471 174.471 174.866 -0.395 17827 6319 1 13 . 1 1 66 66 SER CA C 59 62.350 62.350 60.310 2.040 17827 6320 1 13 . 1 1 66 66 SER CB C 59 63.110 63.110 63.211 -0.101 17827 6321 1 13 . 1 1 66 66 SER H H 59 8.637 8.637 8.058 0.579 17827 6322 1 13 . 1 1 67 67 ASP N N 60 121.042 121.042 119.563 1.479 17827 6323 1 13 . 1 1 67 67 ASP C C 60 176.206 176.206 176.527 -0.321 17827 6324 1 13 . 1 1 67 67 ASP CB C 60 42.560 42.560 40.953 1.607 17827 6325 1 13 . 1 1 67 67 ASP H H 60 8.895 8.895 8.212 0.683 17827 6326 1 13 . 1 1 68 68 HIS N N 61 121.519 121.519 116.384 5.135 17827 6327 1 13 . 1 1 68 68 HIS HA H 61 4.490 4.490 4.451 0.039 17827 6328 1 13 . 1 1 68 68 HIS C C 61 174.546 174.546 174.647 -0.101 17827 6329 1 13 . 1 1 68 68 HIS CA C 61 57.940 57.940 55.983 1.957 17827 6330 1 13 . 1 1 68 68 HIS CB C 61 39.410 39.410 31.139 8.271 17827 6331 1 13 . 1 1 68 68 HIS H H 61 7.958 7.958 7.454 0.504 17827 6332 1 13 . 1 1 69 69 ALA N N 62 122.256 122.256 118.136 4.120 17827 6333 1 13 . 1 1 69 69 ALA C C 62 175.294 175.294 174.538 0.756 17827 6334 1 13 . 1 1 69 69 ALA CB C 62 22.470 22.470 22.405 0.065 17827 6335 1 13 . 1 1 69 69 ALA H H 62 8.575 8.575 8.651 -0.076 17827 6336 1 13 . 1 1 70 70 LEU N N 63 118.904 118.904 119.711 -0.807 17827 6337 1 13 . 1 1 70 70 LEU HA H 63 5.654 5.654 4.921 0.733 17827 6338 1 13 . 1 1 70 70 LEU C C 63 174.445 174.445 176.588 -2.143 17827 6339 1 13 . 1 1 70 70 LEU CA C 63 53.930 53.930 53.159 0.771 17827 6340 1 13 . 1 1 70 70 LEU CB C 63 44.300 44.300 42.596 1.704 17827 6341 1 13 . 1 1 70 70 LEU H H 63 9.150 9.150 8.650 0.500 17827 6342 1 13 . 1 1 71 71 TRP N N 64 125.367 125.367 128.781 -3.414 17827 6343 1 13 . 1 1 71 71 TRP C C 64 174.010 174.010 175.925 -1.915 17827 6344 1 13 . 1 1 71 71 TRP CB C 64 32.210 32.210 29.908 2.302 17827 6345 1 13 . 1 1 71 71 TRP H H 64 9.590 9.590 8.588 1.002 17827 6346 1 13 . 1 1 72 72 TRP N N 65 129.982 129.982 128.134 1.848 17827 6347 1 13 . 1 1 72 72 TRP HA H 65 4.980 4.980 5.046 -0.066 17827 6348 1 13 . 1 1 72 72 TRP C C 65 174.335 174.335 175.779 -1.444 17827 6349 1 13 . 1 1 72 72 TRP CA C 65 51.440 51.440 53.676 -2.236 17827 6350 1 13 . 1 1 72 72 TRP CB C 65 30.490 30.490 30.140 0.350 17827 6351 1 13 . 1 1 72 72 TRP H H 65 8.277 8.277 9.035 -0.758 17827 6352 1 13 . 1 1 73 73 GLU N N 66 129.112 129.112 123.954 5.158 17827 6353 1 13 . 1 1 73 73 GLU HA H 66 3.300 3.300 3.824 -0.524 17827 6354 1 13 . 1 1 73 73 GLU C C 66 178.595 178.595 177.581 1.014 17827 6355 1 13 . 1 1 73 73 GLU CA C 66 59.920 59.920 57.916 2.004 17827 6356 1 13 . 1 1 73 73 GLU CB C 66 29.060 29.060 29.079 -0.019 17827 6357 1 13 . 1 1 73 73 GLU H H 66 8.969 8.969 8.125 0.844 17827 6358 1 13 . 1 1 74 74 LYS N N 67 117.492 117.492 119.429 -1.937 17827 6359 1 13 . 1 1 74 74 LYS HA H 67 3.702 3.702 3.613 0.089 17827 6360 1 13 . 1 1 74 74 LYS C C 67 176.361 176.361 176.736 -0.375 17827 6361 1 13 . 1 1 74 74 LYS CA C 67 58.660 58.660 58.340 0.320 17827 6362 1 13 . 1 1 74 74 LYS CB C 67 32.020 32.020 31.179 0.841 17827 6363 1 13 . 1 1 74 74 LYS H H 67 7.860 7.860 7.673 0.187 17827 6364 1 13 . 1 1 75 75 LYS N N 68 121.233 121.233 113.708 7.525 17827 6365 1 13 . 1 1 75 75 LYS HA H 68 3.935 3.935 4.285 -0.350 17827 6366 1 13 . 1 1 75 75 LYS C C 68 174.183 174.183 175.577 -1.394 17827 6367 1 13 . 1 1 75 75 LYS CA C 68 53.400 53.400 54.799 -1.399 17827 6368 1 13 . 1 1 75 75 LYS CB C 68 32.200 32.200 33.623 -1.423 17827 6369 1 13 . 1 1 75 75 LYS H H 68 7.500 7.500 6.883 0.617 17827 6370 1 13 . 1 1 76 76 ARG N N 69 121.125 121.125 118.090 3.035 17827 6371 1 13 . 1 1 76 76 ARG HA H 69 2.890 2.890 4.334 -1.444 17827 6372 1 13 . 1 1 76 76 ARG C C 69 173.984 173.984 175.714 -1.730 17827 6373 1 13 . 1 1 76 76 ARG CA C 69 56.316 56.316 57.191 -0.875 17827 6374 1 13 . 1 1 76 76 ARG CB C 69 27.090 27.090 27.597 -0.507 17827 6375 1 13 . 1 1 76 76 ARG H H 69 7.500 7.500 7.716 -0.216 17827 6376 1 13 . 1 1 77 77 THR N N 70 110.478 110.478 115.965 -5.487 17827 6377 1 13 . 1 1 77 77 THR HA H 70 4.650 4.650 4.231 0.419 17827 6378 1 13 . 1 1 77 77 THR C C 70 171.846 171.846 172.509 -0.663 17827 6379 1 13 . 1 1 77 77 THR CA C 70 61.630 61.630 61.136 0.494 17827 6380 1 13 . 1 1 77 77 THR CB C 70 72.210 72.210 70.592 1.618 17827 6381 1 13 . 1 1 77 77 THR H H 70 6.280 6.280 8.588 -2.308 17827 6382 1 13 . 1 1 78 78 TRP N N 71 127.244 127.244 124.574 2.670 17827 6383 1 13 . 1 1 78 78 TRP HA H 71 4.750 4.750 5.262 -0.512 17827 6384 1 13 . 1 1 78 78 TRP C C 71 177.303 177.303 176.200 1.103 17827 6385 1 13 . 1 1 78 78 TRP CA C 71 56.240 56.240 54.956 1.284 17827 6386 1 13 . 1 1 78 78 TRP CB C 71 30.500 30.500 29.919 0.581 17827 6387 1 13 . 1 1 78 78 TRP H H 71 8.795 8.795 7.392 1.403 17827 6388 1 13 . 1 1 79 79 LEU N N 72 125.202 125.202 122.333 2.869 17827 6389 1 13 . 1 1 79 79 LEU HA H 72 4.500 4.500 4.549 -0.049 17827 6390 1 13 . 1 1 79 79 LEU C C 72 175.667 175.667 176.764 -1.097 17827 6391 1 13 . 1 1 79 79 LEU CA C 72 52.510 52.510 54.237 -1.727 17827 6392 1 13 . 1 1 79 79 LEU CB C 72 38.240 38.240 41.876 -3.636 17827 6393 1 13 . 1 1 79 79 LEU H H 72 9.175 9.175 8.070 1.105 17827 6394 1 13 . 1 1 80 80 LEU N N 73 119.170 119.170 124.393 -5.223 17827 6395 1 13 . 1 1 80 80 LEU HA H 73 4.380 4.380 4.484 -0.104 17827 6396 1 13 . 1 1 80 80 LEU C C 73 178.139 178.139 177.139 1.000 17827 6397 1 13 . 1 1 80 80 LEU CA C 73 54.700 54.700 55.101 -0.401 17827 6398 1 13 . 1 1 80 80 LEU CB C 73 42.170 42.170 42.135 0.035 17827 6399 1 13 . 1 1 80 80 LEU H H 73 7.280 7.280 8.578 -1.298 17827 6400 1 13 . 1 1 81 81 LYS N N 74 119.766 119.766 119.412 0.354 17827 6401 1 13 . 1 1 81 81 LYS HA H 74 4.435 4.435 4.228 0.207 17827 6402 1 13 . 1 1 81 81 LYS C C 74 176.601 176.601 176.237 0.364 17827 6403 1 13 . 1 1 81 81 LYS CA C 74 54.660 54.660 56.770 -2.111 17827 6404 1 13 . 1 1 81 81 LYS CB C 74 28.540 28.540 32.627 -4.087 17827 6405 1 13 . 1 1 81 81 LYS H H 74 7.865 7.865 7.968 -0.103 17827 6406 1 13 . 1 1 82 82 THR N N 75 115.636 115.636 115.823 -0.187 17827 6407 1 13 . 1 1 82 82 THR HA H 75 3.800 3.800 4.389 -0.589 17827 6408 1 13 . 1 1 82 82 THR C C 75 174.806 174.806 175.730 -0.924 17827 6409 1 13 . 1 1 82 82 THR CA C 75 64.650 64.650 64.745 -0.095 17827 6410 1 13 . 1 1 82 82 THR CB C 75 68.260 68.260 69.257 -0.997 17827 6411 1 13 . 1 1 82 82 THR H H 75 7.910 7.910 8.509 -0.599 17827 6412 1 13 . 1 1 83 83 HIS N N 76 116.767 116.767 120.058 -3.291 17827 6413 1 13 . 1 1 83 83 HIS C C 76 176.370 176.370 176.038 0.332 17827 6414 1 13 . 1 1 83 83 HIS CB C 76 30.210 30.210 29.777 0.433 17827 6415 1 13 . 1 1 83 83 HIS H H 76 8.965 8.965 8.306 0.659 17827 6416 1 13 . 1 1 84 84 TRP N N 77 123.905 123.905 121.329 2.576 17827 6417 1 13 . 1 1 84 84 TRP C C 77 175.584 175.584 175.794 -0.210 17827 6418 1 13 . 1 1 84 84 TRP CB C 77 30.390 30.390 27.596 2.794 17827 6419 1 13 . 1 1 84 84 TRP H H 77 7.635 7.635 8.406 -0.771 17827 6420 1 13 . 1 1 85 85 THR N N 78 108.440 108.440 116.244 -7.804 17827 6421 1 13 . 1 1 85 85 THR HA H 78 4.900 4.900 4.139 0.761 17827 6422 1 13 . 1 1 85 85 THR C C 78 175.691 175.691 176.107 -0.416 17827 6423 1 13 . 1 1 85 85 THR CA C 78 59.500 59.500 63.848 -4.348 17827 6424 1 13 . 1 1 85 85 THR CB C 78 70.600 70.600 69.413 1.187 17827 6425 1 13 . 1 1 85 85 THR H H 78 7.030 7.030 8.234 -1.204 17827 6426 1 13 . 1 1 86 86 LEU N N 79 119.766 119.766 118.612 1.154 17827 6427 1 13 . 1 1 86 86 LEU HA H 79 4.040 4.040 4.386 -0.346 17827 6428 1 13 . 1 1 86 86 LEU C C 79 179.734 179.734 178.415 1.319 17827 6429 1 13 . 1 1 86 86 LEU CA C 79 58.750 58.750 58.424 0.326 17827 6430 1 13 . 1 1 86 86 LEU CB C 79 40.450 40.450 41.391 -0.941 17827 6431 1 13 . 1 1 86 86 LEU H H 79 8.045 8.045 8.252 -0.207 17827 6432 1 13 . 1 1 87 87 ASP N N 80 118.407 118.407 120.324 -1.917 17827 6433 1 13 . 1 1 87 87 ASP HA H 80 4.440 4.440 4.378 0.062 17827 6434 1 13 . 1 1 87 87 ASP C C 80 179.152 179.152 177.938 1.214 17827 6435 1 13 . 1 1 87 87 ASP CA C 80 57.320 57.320 56.871 0.449 17827 6436 1 13 . 1 1 87 87 ASP CB C 80 40.320 40.320 40.363 -0.043 17827 6437 1 13 . 1 1 87 87 ASP H H 80 8.935 8.935 8.674 0.261 17827 6438 1 13 . 1 1 88 88 LYS N N 81 123.300 123.300 118.975 4.325 17827 6439 1 13 . 1 1 88 88 LYS HA H 81 3.700 3.700 3.604 0.096 17827 6440 1 13 . 1 1 88 88 LYS C C 81 178.721 178.721 178.070 0.651 17827 6441 1 13 . 1 1 88 88 LYS CA C 81 59.020 59.020 58.599 0.421 17827 6442 1 13 . 1 1 88 88 LYS CB C 81 31.640 31.640 31.119 0.521 17827 6443 1 13 . 1 1 88 88 LYS H H 81 8.055 8.055 7.770 0.285 17827 6444 1 13 . 1 1 89 89 TYR N N 82 115.690 115.690 117.334 -1.644 17827 6445 1 13 . 1 1 89 89 TYR HA H 82 4.580 4.580 4.883 -0.303 17827 6446 1 13 . 1 1 89 89 TYR C C 82 176.164 176.164 176.403 -0.239 17827 6447 1 13 . 1 1 89 89 TYR CA C 82 61.750 61.750 60.266 1.484 17827 6448 1 13 . 1 1 89 89 TYR CB C 82 40.750 40.750 39.565 1.185 17827 6449 1 13 . 1 1 89 89 TYR H H 82 7.730 7.730 7.571 0.159 17827 6450 1 13 . 1 1 90 90 GLY N N 83 108.212 108.212 106.230 1.982 17827 6451 1 13 . 1 1 90 90 GLY C C 83 174.555 174.555 174.250 0.305 17827 6452 1 13 . 1 1 90 90 GLY CA C 83 45.510 45.510 44.840 0.670 17827 6453 1 13 . 1 1 90 90 GLY H H 83 8.030 8.030 7.808 0.222 17827 6454 1 13 . 1 1 91 91 ILE N N 84 122.960 122.960 120.810 2.150 17827 6455 1 13 . 1 1 91 91 ILE HA H 84 3.370 3.370 4.151 -0.781 17827 6456 1 13 . 1 1 91 91 ILE C C 84 173.611 173.611 175.146 -1.535 17827 6457 1 13 . 1 1 91 91 ILE CA C 84 61.700 61.700 61.640 0.060 17827 6458 1 13 . 1 1 91 91 ILE CB C 84 37.610 37.610 39.228 -1.618 17827 6459 1 13 . 1 1 91 91 ILE H H 84 7.850 7.850 8.060 -0.210 17827 6460 1 13 . 1 1 92 92 GLN N N 85 125.429 125.429 125.087 0.342 17827 6461 1 13 . 1 1 92 92 GLN HA H 85 3.880 3.880 3.871 0.009 17827 6462 1 13 . 1 1 92 92 GLN C C 85 174.756 174.756 175.234 -0.478 17827 6463 1 13 . 1 1 92 92 GLN CA C 85 53.720 53.720 54.889 -1.169 17827 6464 1 13 . 1 1 92 92 GLN CB C 85 31.150 31.150 30.549 0.601 17827 6465 1 13 . 1 1 92 92 GLN H H 85 7.700 7.700 8.145 -0.445 17827 6466 1 13 . 1 1 93 93 ALA N N 86 118.217 118.217 121.188 -2.971 17827 6467 1 13 . 1 1 93 93 ALA HA H 86 3.800 3.800 4.341 -0.541 17827 6468 1 13 . 1 1 93 93 ALA C C 86 177.201 177.201 177.225 -0.024 17827 6469 1 13 . 1 1 93 93 ALA CA C 86 54.080 54.080 53.457 0.623 17827 6470 1 13 . 1 1 93 93 ALA CB C 86 18.410 18.410 18.819 -0.409 17827 6471 1 13 . 1 1 93 93 ALA H H 86 6.886 6.886 8.051 -1.165 17827 6472 1 13 . 1 1 94 94 ASP N N 87 113.647 113.647 116.601 -2.954 17827 6473 1 13 . 1 1 94 94 ASP HA H 87 4.420 4.420 4.563 -0.143 17827 6474 1 13 . 1 1 94 94 ASP C C 87 176.218 176.218 175.027 1.191 17827 6475 1 13 . 1 1 94 94 ASP CA C 87 54.060 54.060 53.875 0.185 17827 6476 1 13 . 1 1 94 94 ASP CB C 87 39.600 39.600 41.030 -1.430 17827 6477 1 13 . 1 1 94 94 ASP H H 87 8.223 8.223 8.158 0.065 17827 6478 1 13 . 1 1 95 95 ALA N N 88 124.145 124.145 123.282 0.863 17827 6479 1 13 . 1 1 95 95 ALA HA H 88 4.306 4.306 4.364 -0.058 17827 6480 1 13 . 1 1 95 95 ALA C C 88 176.630 176.630 176.279 0.351 17827 6481 1 13 . 1 1 95 95 ALA CA C 88 53.320 53.320 51.579 1.741 17827 6482 1 13 . 1 1 95 95 ALA CB C 88 20.020 20.020 19.533 0.487 17827 6483 1 13 . 1 1 95 95 ALA H H 88 7.941 7.941 7.112 0.829 17827 6484 1 13 . 1 1 96 96 LYS N N 89 120.897 120.897 126.276 -5.379 17827 6485 1 13 . 1 1 96 96 LYS HA H 89 4.826 4.826 4.720 0.106 17827 6486 1 13 . 1 1 96 96 LYS C C 89 176.161 176.161 176.229 -0.068 17827 6487 1 13 . 1 1 96 96 LYS CA C 89 54.736 54.736 55.119 -0.383 17827 6488 1 13 . 1 1 96 96 LYS CB C 89 32.390 32.390 32.227 0.163 17827 6489 1 13 . 1 1 96 96 LYS H H 89 8.500 8.500 8.467 0.033 17827 6490 1 13 . 1 1 97 97 LEU N N 90 122.960 122.960 124.412 -1.452 17827 6491 1 13 . 1 1 97 97 LEU HA H 90 5.075 5.075 4.559 0.516 17827 6492 1 13 . 1 1 97 97 LEU C C 90 176.394 176.394 176.928 -0.534 17827 6493 1 13 . 1 1 97 97 LEU CA C 90 53.060 53.060 55.007 -1.947 17827 6494 1 13 . 1 1 97 97 LEU CB C 90 44.850 44.850 43.079 1.771 17827 6495 1 13 . 1 1 97 97 LEU H H 90 8.566 8.566 8.913 -0.347 17827 6496 1 13 . 1 1 98 98 GLN N N 91 119.538 119.538 116.347 3.191 17827 6497 1 13 . 1 1 98 98 GLN HA H 91 5.710 5.710 4.904 0.806 17827 6498 1 13 . 1 1 98 98 GLN C C 91 174.144 174.144 174.710 -0.566 17827 6499 1 13 . 1 1 98 98 GLN CA C 91 54.360 54.360 54.792 -0.432 17827 6500 1 13 . 1 1 98 98 GLN CB C 91 32.290 32.290 32.892 -0.602 17827 6501 1 13 . 1 1 98 98 GLN H H 91 9.060 9.060 8.033 1.027 17827 6502 1 13 . 1 1 99 99 PHE N N 92 125.674 125.674 120.423 5.251 17827 6503 1 13 . 1 1 99 99 PHE HA H 92 5.700 5.700 5.385 0.315 17827 6504 1 13 . 1 1 99 99 PHE C C 92 174.537 174.537 174.046 0.491 17827 6505 1 13 . 1 1 99 99 PHE CA C 92 54.190 54.190 56.616 -2.426 17827 6506 1 13 . 1 1 99 99 PHE CB C 92 41.080 41.080 43.751 -2.671 17827 6507 1 13 . 1 1 99 99 PHE H H 92 9.290 9.290 9.728 -0.438 17827 6508 1 13 . 1 1 100 100 THR N N 93 124.543 124.543 118.672 5.871 17827 6509 1 13 . 1 1 100 100 THR HA H 93 5.100 5.100 4.895 0.205 17827 6510 1 13 . 1 1 100 100 THR C C 93 180.164 180.164 171.997 8.167 17827 6511 1 13 . 1 1 100 100 THR CA C 93 58.830 58.830 59.132 -0.302 17827 6512 1 13 . 1 1 100 100 THR CB C 93 73.610 73.610 70.979 2.631 17827 6513 1 13 . 1 1 100 100 THR H H 93 8.945 8.945 8.683 0.262 17827 6514 1 14 . 1 1 9 9 ALA N N 2 124.336 124.336 123.512 0.824 17827 6515 1 14 . 1 1 9 9 ALA HA H 2 4.210 4.210 4.702 -0.492 17827 6516 1 14 . 1 1 9 9 ALA C C 2 177.598 177.598 176.368 1.230 17827 6517 1 14 . 1 1 9 9 ALA CA C 2 52.440 52.440 51.950 0.490 17827 6518 1 14 . 1 1 9 9 ALA CB C 2 19.030 19.030 19.241 -0.211 17827 6519 1 14 . 1 1 9 9 ALA H H 2 8.018 8.018 8.251 -0.233 17827 6520 1 14 . 1 1 10 10 LEU N N 3 121.125 121.125 120.346 0.779 17827 6521 1 14 . 1 1 10 10 LEU HA H 3 4.210 4.210 4.195 0.015 17827 6522 1 14 . 1 1 10 10 LEU C C 3 177.094 177.094 176.435 0.659 17827 6523 1 14 . 1 1 10 10 LEU CA C 3 55.320 55.320 55.570 -0.250 17827 6524 1 14 . 1 1 10 10 LEU CB C 3 42.170 42.170 42.020 0.150 17827 6525 1 14 . 1 1 10 10 LEU H H 3 8.057 8.057 7.665 0.392 17827 6526 1 14 . 1 1 11 11 ASP N N 4 119.766 119.766 122.790 -3.024 17827 6527 1 14 . 1 1 11 11 ASP HA H 4 4.475 4.475 4.668 -0.193 17827 6528 1 14 . 1 1 11 11 ASP C C 4 176.509 176.509 175.284 1.225 17827 6529 1 14 . 1 1 11 11 ASP CA C 4 54.550 54.550 54.437 0.113 17827 6530 1 14 . 1 1 11 11 ASP CB C 4 40.950 40.950 41.984 -1.034 17827 6531 1 14 . 1 1 11 11 ASP H H 4 8.145 8.145 8.724 -0.579 17827 6532 1 14 . 1 1 12 12 GLY N N 5 108.440 108.440 108.121 0.319 17827 6533 1 14 . 1 1 12 12 GLY C C 5 173.692 173.692 174.976 -1.284 17827 6534 1 14 . 1 1 12 12 GLY CA C 5 45.310 45.310 44.627 0.684 17827 6535 1 14 . 1 1 12 12 GLY H H 5 8.110 8.110 8.179 -0.069 17827 6536 1 14 . 1 1 13 13 ILE N N 6 119.766 119.766 120.001 -0.235 17827 6537 1 14 . 1 1 13 13 ILE HA H 6 4.100 4.100 3.601 0.499 17827 6538 1 14 . 1 1 13 13 ILE C C 6 175.525 175.525 176.901 -1.376 17827 6539 1 14 . 1 1 13 13 ILE CA C 6 60.710 60.710 63.963 -3.253 17827 6540 1 14 . 1 1 13 13 ILE CB C 6 38.430 38.430 37.989 0.441 17827 6541 1 14 . 1 1 13 13 ILE H H 6 7.790 7.790 8.015 -0.225 17827 6542 1 14 . 1 1 14 14 ARG N N 7 125.657 125.657 118.367 7.290 17827 6543 1 14 . 1 1 14 14 ARG HA H 7 4.210 4.210 4.423 -0.213 17827 6544 1 14 . 1 1 14 14 ARG C C 7 175.810 175.810 176.574 -0.764 17827 6545 1 14 . 1 1 14 14 ARG CA C 7 55.640 55.640 57.217 -1.577 17827 6546 1 14 . 1 1 14 14 ARG CB C 7 30.990 30.990 31.536 -0.546 17827 6547 1 14 . 1 1 14 14 ARG H H 7 8.410 8.410 8.033 0.377 17827 6548 1 14 . 1 1 15 15 MET N N 8 123.598 123.598 114.577 9.021 17827 6549 1 14 . 1 1 15 15 MET HA H 8 4.210 4.210 4.934 -0.724 17827 6550 1 14 . 1 1 15 15 MET C C 8 174.950 174.950 175.094 -0.144 17827 6551 1 14 . 1 1 15 15 MET CA C 8 55.330 55.330 56.932 -1.603 17827 6552 1 14 . 1 1 15 15 MET CB C 8 31.730 31.730 30.913 0.817 17827 6553 1 14 . 1 1 15 15 MET H H 8 8.495 8.495 7.826 0.669 17827 6554 1 14 . 1 1 16 16 PRO HA H 9 4.290 4.290 4.216 0.074 17827 6555 1 14 . 1 1 16 16 PRO C C 9 176.228 176.228 176.527 -0.299 17827 6556 1 14 . 1 1 16 16 PRO CA C 9 63.370 63.370 65.887 -2.517 17827 6557 1 14 . 1 1 16 16 PRO CB C 9 31.820 31.820 31.259 0.560 17827 6558 1 14 . 1 1 17 17 ASP N N 10 117.952 117.952 112.505 5.447 17827 6559 1 14 . 1 1 17 17 ASP HA H 10 4.420 4.420 4.607 -0.187 17827 6560 1 14 . 1 1 17 17 ASP C C 10 176.714 176.714 177.402 -0.688 17827 6561 1 14 . 1 1 17 17 ASP CA C 10 54.130 54.130 54.775 -0.645 17827 6562 1 14 . 1 1 17 17 ASP CB C 10 40.430 40.430 41.373 -0.943 17827 6563 1 14 . 1 1 17 17 ASP H H 10 8.076 8.076 8.374 -0.298 17827 6564 1 14 . 1 1 18 18 GLY N N 11 108.663 108.663 107.287 1.376 17827 6565 1 14 . 1 1 18 18 GLY C C 11 173.819 173.819 175.202 -1.383 17827 6566 1 14 . 1 1 18 18 GLY CA C 11 45.300 45.300 45.559 -0.259 17827 6567 1 14 . 1 1 18 18 GLY H H 11 8.255 8.255 8.426 -0.171 17827 6568 1 14 . 1 1 19 19 CYS N N 12 118.179 118.179 120.972 -2.793 17827 6569 1 14 . 1 1 19 19 CYS HA H 12 4.550 4.550 4.207 0.343 17827 6570 1 14 . 1 1 19 19 CYS C C 12 174.073 174.073 174.386 -0.313 17827 6571 1 14 . 1 1 19 19 CYS CA C 12 58.420 58.420 61.501 -3.081 17827 6572 1 14 . 1 1 19 19 CYS CB C 12 28.400 28.400 27.152 1.248 17827 6573 1 14 . 1 1 19 19 CYS H H 12 7.850 7.850 8.469 -0.619 17827 6574 1 14 . 1 1 20 20 TYR N N 13 120.897 120.897 118.192 2.705 17827 6575 1 14 . 1 1 20 20 TYR HA H 13 4.550 4.550 4.574 -0.024 17827 6576 1 14 . 1 1 20 20 TYR C C 13 176.748 176.748 175.265 1.483 17827 6577 1 14 . 1 1 20 20 TYR CA C 13 58.470 58.470 57.179 1.291 17827 6578 1 14 . 1 1 20 20 TYR CB C 13 39.210 39.210 40.953 -1.743 17827 6579 1 14 . 1 1 20 20 TYR H H 13 8.550 8.550 7.781 0.769 17827 6580 1 14 . 1 1 21 21 ALA N N 14 124.750 124.750 127.944 -3.194 17827 6581 1 14 . 1 1 21 21 ALA HA H 14 4.190 4.190 4.077 0.113 17827 6582 1 14 . 1 1 21 21 ALA C C 14 177.181 177.181 177.565 -0.384 17827 6583 1 14 . 1 1 21 21 ALA CA C 14 53.530 53.530 54.528 -0.998 17827 6584 1 14 . 1 1 21 21 ALA CB C 14 18.630 18.630 19.131 -0.501 17827 6585 1 14 . 1 1 21 21 ALA H H 14 8.615 8.615 8.083 0.532 17827 6586 1 14 . 1 1 22 22 ASP N N 15 117.500 117.500 115.631 1.869 17827 6587 1 14 . 1 1 22 22 ASP HA H 15 4.480 4.480 4.641 -0.161 17827 6588 1 14 . 1 1 22 22 ASP C C 15 176.708 176.708 176.812 -0.104 17827 6589 1 14 . 1 1 22 22 ASP CA C 15 53.500 53.500 54.437 -0.937 17827 6590 1 14 . 1 1 22 22 ASP CB C 15 40.730 40.730 42.160 -1.430 17827 6591 1 14 . 1 1 22 22 ASP H H 15 7.960 7.960 8.304 -0.344 17827 6592 1 14 . 1 1 23 23 GLY N N 16 108.891 108.891 108.134 0.757 17827 6593 1 14 . 1 1 23 23 GLY C C 16 174.373 174.373 173.737 0.636 17827 6594 1 14 . 1 1 23 23 GLY CA C 16 45.370 45.370 45.944 -0.574 17827 6595 1 14 . 1 1 23 23 GLY H H 16 8.344 8.344 8.464 -0.120 17827 6596 1 14 . 1 1 24 24 THR N N 17 110.929 110.929 110.595 0.334 17827 6597 1 14 . 1 1 24 24 THR HA H 17 4.640 4.640 3.947 0.693 17827 6598 1 14 . 1 1 24 24 THR C C 17 173.620 173.620 173.243 0.377 17827 6599 1 14 . 1 1 24 24 THR CA C 17 60.540 60.540 61.378 -0.838 17827 6600 1 14 . 1 1 24 24 THR CB C 17 72.100 72.100 69.945 2.155 17827 6601 1 14 . 1 1 24 24 THR H H 17 7.850 7.850 7.360 0.490 17827 6602 1 14 . 1 1 25 25 TRP N N 18 117.728 117.728 116.948 0.780 17827 6603 1 14 . 1 1 25 25 TRP HA H 18 4.945 4.945 4.955 -0.010 17827 6604 1 14 . 1 1 25 25 TRP C C 18 174.164 174.164 173.914 0.250 17827 6605 1 14 . 1 1 25 25 TRP CA C 18 54.620 54.620 55.955 -1.335 17827 6606 1 14 . 1 1 25 25 TRP CB C 18 30.650 30.650 30.353 0.297 17827 6607 1 14 . 1 1 25 25 TRP H H 18 8.640 8.640 7.610 1.030 17827 6608 1 14 . 1 1 26 26 GLU N N 19 117.728 117.728 118.345 -0.617 17827 6609 1 14 . 1 1 26 26 GLU HA H 19 4.851 4.851 4.835 0.016 17827 6610 1 14 . 1 1 26 26 GLU C C 19 174.786 174.786 174.584 0.202 17827 6611 1 14 . 1 1 26 26 GLU CA C 19 55.710 55.710 54.796 0.914 17827 6612 1 14 . 1 1 26 26 GLU CB C 19 31.500 31.500 32.397 -0.897 17827 6613 1 14 . 1 1 26 26 GLU H H 19 8.744 8.744 8.482 0.262 17827 6614 1 14 . 1 1 27 27 LEU N N 20 126.668 126.668 119.450 7.218 17827 6615 1 14 . 1 1 27 27 LEU HA H 20 4.880 4.880 4.757 0.123 17827 6616 1 14 . 1 1 27 27 LEU C C 20 175.123 175.123 175.348 -0.225 17827 6617 1 14 . 1 1 27 27 LEU CA C 20 53.252 53.252 53.599 -0.347 17827 6618 1 14 . 1 1 27 27 LEU CB C 20 45.280 45.280 46.831 -1.551 17827 6619 1 14 . 1 1 27 27 LEU H H 20 8.980 8.980 8.725 0.255 17827 6620 1 14 . 1 1 28 28 SER N N 21 121.804 121.804 117.428 4.376 17827 6621 1 14 . 1 1 28 28 SER HA H 21 4.894 4.894 5.060 -0.166 17827 6622 1 14 . 1 1 28 28 SER C C 21 173.483 173.483 172.824 0.659 17827 6623 1 14 . 1 1 28 28 SER CA C 21 57.880 57.880 56.771 1.109 17827 6624 1 14 . 1 1 28 28 SER CB C 21 63.920 63.920 64.541 -0.621 17827 6625 1 14 . 1 1 28 28 SER H H 21 8.785 8.785 8.480 0.305 17827 6626 1 14 . 1 1 29 29 VAL N N 22 125.881 125.881 122.402 3.479 17827 6627 1 14 . 1 1 29 29 VAL HA H 22 4.370 4.370 4.421 -0.051 17827 6628 1 14 . 1 1 29 29 VAL C C 22 173.953 173.953 174.842 -0.889 17827 6629 1 14 . 1 1 29 29 VAL CA C 22 60.440 60.440 60.043 0.397 17827 6630 1 14 . 1 1 29 29 VAL CB C 22 34.350 34.350 35.522 -1.172 17827 6631 1 14 . 1 1 29 29 VAL H H 22 8.865 8.865 8.283 0.582 17827 6632 1 14 . 1 1 30 30 HIS N N 23 126.560 126.560 122.091 4.469 17827 6633 1 14 . 1 1 30 30 HIS HA H 23 5.220 5.220 4.737 0.483 17827 6634 1 14 . 1 1 30 30 HIS C C 23 174.596 174.596 173.793 0.803 17827 6635 1 14 . 1 1 30 30 HIS CA C 23 55.250 55.250 55.571 -0.321 17827 6636 1 14 . 1 1 30 30 HIS CB C 23 30.550 30.550 33.842 -3.292 17827 6637 1 14 . 1 1 30 30 HIS H H 23 8.810 8.810 8.424 0.386 17827 6638 1 14 . 1 1 31 31 VAL N N 24 130.587 130.587 123.550 7.037 17827 6639 1 14 . 1 1 31 31 VAL HA H 24 5.230 5.230 4.814 0.416 17827 6640 1 14 . 1 1 31 31 VAL C C 24 177.426 177.426 175.826 1.600 17827 6641 1 14 . 1 1 31 31 VAL CA C 24 55.530 55.530 61.288 -5.758 17827 6642 1 14 . 1 1 31 31 VAL CB C 24 31.040 31.040 32.183 -1.143 17827 6643 1 14 . 1 1 31 31 VAL H H 24 9.043 9.043 8.807 0.236 17827 6644 1 14 . 1 1 32 32 THR N N 25 122.484 122.484 122.281 0.203 17827 6645 1 14 . 1 1 32 32 THR HA H 25 3.970 3.970 4.545 -0.575 17827 6646 1 14 . 1 1 32 32 THR C C 25 177.437 177.437 175.854 1.583 17827 6647 1 14 . 1 1 32 32 THR CA C 25 66.470 66.470 64.328 2.142 17827 6648 1 14 . 1 1 32 32 THR CB C 25 68.220 68.220 69.564 -1.344 17827 6649 1 14 . 1 1 32 32 THR H H 25 8.245 8.245 8.689 -0.444 17827 6650 1 14 . 1 1 34 34 VAL N N 27 114.090 114.090 115.877 -1.787 17827 6651 1 14 . 1 1 34 34 VAL HA H 27 4.500 4.500 4.231 0.269 17827 6652 1 14 . 1 1 34 34 VAL CA C 27 54.220 54.220 62.336 -8.116 17827 6653 1 14 . 1 1 34 34 VAL CB C 27 27.060 27.060 33.361 -6.301 17827 6654 1 14 . 1 1 34 34 VAL H H 27 6.977 6.977 7.517 -0.540 17827 6655 1 14 . 1 1 35 35 ASN N N 28 116.829 116.829 116.863 -0.034 17827 6656 1 14 . 1 1 35 35 ASN HA H 28 4.299 4.299 4.552 -0.253 17827 6657 1 14 . 1 1 35 35 ASN CA C 28 53.650 53.650 54.307 -0.657 17827 6658 1 14 . 1 1 35 35 ASN CB C 28 37.110 37.110 38.008 -0.898 17827 6659 1 14 . 1 1 35 35 ASN H H 28 7.897 7.897 8.044 -0.147 17827 6660 1 14 . 1 1 36 36 ARG N N 29 114.310 114.310 115.858 -1.548 17827 6661 1 14 . 1 1 36 36 ARG HA H 29 4.700 4.700 4.744 -0.044 17827 6662 1 14 . 1 1 36 36 ARG C C 29 173.347 173.347 173.785 -0.438 17827 6663 1 14 . 1 1 36 36 ARG CA C 29 54.900 54.900 54.520 0.380 17827 6664 1 14 . 1 1 36 36 ARG CB C 29 34.700 34.700 32.843 1.857 17827 6665 1 14 . 1 1 36 36 ARG H H 29 6.787 6.787 7.769 -0.982 17827 6666 1 14 . 1 1 37 37 ASP N N 30 124.071 124.071 118.016 6.055 17827 6667 1 14 . 1 1 37 37 ASP HA H 30 5.475 5.475 4.657 0.818 17827 6668 1 14 . 1 1 37 37 ASP C C 30 175.354 175.354 174.563 0.791 17827 6669 1 14 . 1 1 37 37 ASP CA C 30 53.660 53.660 53.143 0.517 17827 6670 1 14 . 1 1 37 37 ASP CB C 30 42.260 42.260 42.419 -0.159 17827 6671 1 14 . 1 1 37 37 ASP H H 30 8.760 8.760 8.354 0.406 17827 6672 1 14 . 1 1 38 38 VAL N N 31 123.300 123.300 119.041 4.259 17827 6673 1 14 . 1 1 38 38 VAL HA H 31 4.270 4.270 4.501 -0.231 17827 6674 1 14 . 1 1 38 38 VAL C C 31 174.203 174.203 174.332 -0.129 17827 6675 1 14 . 1 1 38 38 VAL CA C 31 60.700 60.700 60.133 0.568 17827 6676 1 14 . 1 1 38 38 VAL CB C 31 34.620 34.620 36.396 -1.776 17827 6677 1 14 . 1 1 38 38 VAL H H 31 9.187 9.187 7.756 1.431 17827 6678 1 14 . 1 1 39 39 THR N N 32 119.766 119.766 113.522 6.244 17827 6679 1 14 . 1 1 39 39 THR HA H 32 5.095 5.095 4.875 0.220 17827 6680 1 14 . 1 1 39 39 THR C C 32 173.547 173.547 173.153 0.394 17827 6681 1 14 . 1 1 39 39 THR CA C 32 60.550 60.550 60.319 0.231 17827 6682 1 14 . 1 1 39 39 THR CB C 32 70.170 70.170 71.097 -0.927 17827 6683 1 14 . 1 1 39 39 THR H H 32 8.360 8.360 8.071 0.289 17827 6684 1 14 . 1 1 40 40 LEU N N 33 124.522 124.522 122.761 1.761 17827 6685 1 14 . 1 1 40 40 LEU HA H 33 4.590 4.590 4.629 -0.039 17827 6686 1 14 . 1 1 40 40 LEU C C 33 174.691 174.691 175.950 -1.259 17827 6687 1 14 . 1 1 40 40 LEU CA C 33 52.580 52.580 53.861 -1.281 17827 6688 1 14 . 1 1 40 40 LEU CB C 33 45.410 45.410 44.491 0.919 17827 6689 1 14 . 1 1 40 40 LEU H H 33 8.750 8.750 8.149 0.601 17827 6690 1 14 . 1 1 41 41 ARG N N 34 122.712 122.712 124.480 -1.768 17827 6691 1 14 . 1 1 41 41 ARG HA H 34 4.680 4.680 4.688 -0.008 17827 6692 1 14 . 1 1 41 41 ARG C C 34 175.700 175.700 174.438 1.262 17827 6693 1 14 . 1 1 41 41 ARG CA C 34 55.420 55.420 55.015 0.405 17827 6694 1 14 . 1 1 41 41 ARG CB C 34 29.500 29.500 29.520 -0.020 17827 6695 1 14 . 1 1 41 41 ARG H H 34 8.345 8.345 8.736 -0.391 17827 6696 1 14 . 1 1 42 42 VAL N N 35 117.728 117.728 118.435 -0.707 17827 6697 1 14 . 1 1 42 42 VAL HA H 35 4.465 4.465 4.459 0.006 17827 6698 1 14 . 1 1 42 42 VAL C C 35 173.184 173.184 173.605 -0.421 17827 6699 1 14 . 1 1 42 42 VAL CA C 35 58.670 58.670 59.647 -0.977 17827 6700 1 14 . 1 1 42 42 VAL CB C 35 36.050 36.050 35.550 0.500 17827 6701 1 14 . 1 1 42 42 VAL H H 35 8.640 8.640 7.796 0.844 17827 6702 1 14 . 1 1 43 43 THR N N 36 104.359 104.359 109.100 -4.741 17827 6703 1 14 . 1 1 43 43 THR HA H 36 4.660 4.660 2.397 2.263 17827 6704 1 14 . 1 1 43 43 THR C C 36 174.862 174.862 175.509 -0.647 17827 6705 1 14 . 1 1 43 43 THR CA C 36 59.010 59.010 59.348 -0.338 17827 6706 1 14 . 1 1 43 43 THR CB C 36 71.570 71.570 71.321 0.249 17827 6707 1 14 . 1 1 43 43 THR H H 36 6.220 6.220 7.664 -1.444 17827 6708 1 14 . 1 1 44 44 GLY N N 37 105.946 105.946 107.265 -1.319 17827 6709 1 14 . 1 1 44 44 GLY C C 37 173.394 173.394 174.650 -1.256 17827 6710 1 14 . 1 1 44 44 GLY CA C 37 46.830 46.830 47.214 -0.384 17827 6711 1 14 . 1 1 44 44 GLY H H 37 9.160 9.160 8.617 0.543 17827 6712 1 14 . 1 1 45 45 GLU N N 38 113.875 113.875 117.388 -3.513 17827 6713 1 14 . 1 1 45 45 GLU HA H 38 4.290 4.290 4.314 -0.024 17827 6714 1 14 . 1 1 45 45 GLU C C 38 176.167 176.167 176.400 -0.233 17827 6715 1 14 . 1 1 45 45 GLU CA C 38 55.500 55.500 55.952 -0.452 17827 6716 1 14 . 1 1 45 45 GLU CB C 38 30.950 30.950 29.884 1.066 17827 6717 1 14 . 1 1 45 45 GLU H H 38 7.500 7.500 7.273 0.227 17827 6718 1 14 . 1 1 46 46 VAL N N 39 121.577 121.577 122.183 -0.606 17827 6719 1 14 . 1 1 46 46 VAL HA H 39 3.820 3.820 4.021 -0.201 17827 6720 1 14 . 1 1 46 46 VAL C C 39 174.651 174.651 175.209 -0.558 17827 6721 1 14 . 1 1 46 46 VAL CA C 39 63.920 63.920 62.055 1.865 17827 6722 1 14 . 1 1 46 46 VAL CB C 39 31.590 31.590 32.709 -1.119 17827 6723 1 14 . 1 1 46 46 VAL H H 39 7.260 7.260 7.703 -0.443 17827 6724 1 14 . 1 1 47 47 HIS N N 40 123.391 123.391 125.692 -2.301 17827 6725 1 14 . 1 1 47 47 HIS HA H 40 5.212 5.212 4.588 0.624 17827 6726 1 14 . 1 1 47 47 HIS C C 40 177.440 177.440 176.463 0.977 17827 6727 1 14 . 1 1 47 47 HIS CA C 40 54.660 54.660 56.221 -1.561 17827 6728 1 14 . 1 1 47 47 HIS CB C 40 30.910 30.910 31.126 -0.216 17827 6729 1 14 . 1 1 47 47 HIS H H 40 8.285 8.285 8.508 -0.223 17827 6730 1 14 . 1 1 48 48 ILE N N 41 124.071 124.071 124.585 -0.514 17827 6731 1 14 . 1 1 48 48 ILE HA H 41 3.530 3.530 3.795 -0.265 17827 6732 1 14 . 1 1 48 48 ILE C C 41 178.941 178.941 177.770 1.171 17827 6733 1 14 . 1 1 48 48 ILE CA C 41 62.330 62.330 65.343 -3.013 17827 6734 1 14 . 1 1 48 48 ILE CB C 41 34.230 34.230 37.916 -3.686 17827 6735 1 14 . 1 1 48 48 ILE H H 41 8.863 8.863 8.555 0.308 17827 6736 1 14 . 1 1 49 49 GLY N N 42 106.853 106.853 104.580 2.273 17827 6737 1 14 . 1 1 49 49 GLY C C 42 175.669 175.669 175.470 0.199 17827 6738 1 14 . 1 1 49 49 GLY CA C 42 45.320 45.320 46.239 -0.918 17827 6739 1 14 . 1 1 49 49 GLY H H 42 9.720 9.720 8.704 1.016 17827 6740 1 14 . 1 1 50 50 GLY N N 43 109.571 109.571 109.377 0.194 17827 6741 1 14 . 1 1 50 50 GLY C C 43 175.847 175.847 175.404 0.443 17827 6742 1 14 . 1 1 50 50 GLY CA C 43 47.000 47.000 45.488 1.512 17827 6743 1 14 . 1 1 50 50 GLY H H 43 6.950 6.950 8.244 -1.294 17827 6744 1 14 . 1 1 51 51 VAL N N 44 123.163 123.163 124.614 -1.451 17827 6745 1 14 . 1 1 51 51 VAL HA H 44 3.115 3.115 3.525 -0.410 17827 6746 1 14 . 1 1 51 51 VAL C C 44 176.804 176.804 177.953 -1.149 17827 6747 1 14 . 1 1 51 51 VAL CA C 44 66.660 66.660 67.195 -0.535 17827 6748 1 14 . 1 1 51 51 VAL CB C 44 30.730 30.730 31.998 -1.268 17827 6749 1 14 . 1 1 51 51 VAL H H 44 7.860 7.860 8.749 -0.889 17827 6750 1 14 . 1 1 52 52 MET N N 45 115.913 115.913 117.301 -1.388 17827 6751 1 14 . 1 1 52 52 MET HA H 45 3.410 3.410 4.173 -0.763 17827 6752 1 14 . 1 1 52 52 MET C C 45 176.881 176.881 178.157 -1.276 17827 6753 1 14 . 1 1 52 52 MET CA C 45 59.830 59.830 59.397 0.433 17827 6754 1 14 . 1 1 52 52 MET CB C 45 32.310 32.310 31.824 0.486 17827 6755 1 14 . 1 1 52 52 MET H H 45 7.940 7.940 7.735 0.205 17827 6756 1 14 . 1 1 53 53 LEU N N 46 118.291 118.291 121.421 -3.130 17827 6757 1 14 . 1 1 53 53 LEU HA H 46 3.940 3.940 4.167 -0.227 17827 6758 1 14 . 1 1 53 53 LEU C C 46 179.178 179.178 179.432 -0.254 17827 6759 1 14 . 1 1 53 53 LEU CA C 46 58.500 58.500 58.178 0.322 17827 6760 1 14 . 1 1 53 53 LEU CB C 46 41.930 41.930 41.189 0.741 17827 6761 1 14 . 1 1 53 53 LEU H H 46 7.550 7.550 7.801 -0.251 17827 6762 1 14 . 1 1 54 54 LYS N N 47 118.142 118.142 119.328 -1.186 17827 6763 1 14 . 1 1 54 54 LYS HA H 47 3.870 3.870 4.268 -0.398 17827 6764 1 14 . 1 1 54 54 LYS C C 47 178.616 178.616 179.271 -0.655 17827 6765 1 14 . 1 1 54 54 LYS CA C 47 57.980 57.980 59.205 -1.225 17827 6766 1 14 . 1 1 54 54 LYS CB C 47 32.320 32.320 32.109 0.211 17827 6767 1 14 . 1 1 54 54 LYS H H 47 7.665 7.665 8.778 -1.113 17827 6768 1 14 . 1 1 55 55 LEU N N 48 119.385 119.385 120.435 -1.050 17827 6769 1 14 . 1 1 55 55 LEU HA H 48 3.570 3.570 4.297 -0.727 17827 6770 1 14 . 1 1 55 55 LEU C C 48 177.405 177.405 177.830 -0.425 17827 6771 1 14 . 1 1 55 55 LEU CA C 48 57.790 57.790 57.777 0.013 17827 6772 1 14 . 1 1 55 55 LEU CB C 48 41.590 41.590 42.107 -0.517 17827 6773 1 14 . 1 1 55 55 LEU H H 48 7.975 7.975 7.630 0.345 17827 6774 1 14 . 1 1 56 56 VAL N N 49 116.141 116.141 120.476 -4.335 17827 6775 1 14 . 1 1 56 56 VAL HA H 49 2.990 2.990 3.570 -0.580 17827 6776 1 14 . 1 1 56 56 VAL C C 49 178.564 178.564 178.476 0.088 17827 6777 1 14 . 1 1 56 56 VAL CA C 49 66.310 66.310 67.003 -0.693 17827 6778 1 14 . 1 1 56 56 VAL CB C 49 31.300 31.300 31.903 -0.603 17827 6779 1 14 . 1 1 56 56 VAL H H 49 7.615 7.615 8.987 -1.372 17827 6780 1 14 . 1 1 57 57 GLU N N 50 118.631 118.631 118.253 0.378 17827 6781 1 14 . 1 1 57 57 GLU HA H 50 3.965 3.965 4.104 -0.139 17827 6782 1 14 . 1 1 57 57 GLU C C 50 178.030 178.030 179.109 -1.079 17827 6783 1 14 . 1 1 57 57 GLU CA C 50 58.500 58.500 59.113 -0.613 17827 6784 1 14 . 1 1 57 57 GLU CB C 50 29.610 29.610 29.387 0.223 17827 6785 1 14 . 1 1 57 57 GLU H H 50 7.575 7.575 8.946 -1.371 17827 6786 1 14 . 1 1 58 58 LYS N N 51 117.053 117.053 119.283 -2.230 17827 6787 1 14 . 1 1 58 58 LYS HA H 51 4.130 4.130 4.114 0.016 17827 6788 1 14 . 1 1 58 58 LYS C C 51 176.956 176.956 178.098 -1.142 17827 6789 1 14 . 1 1 58 58 LYS CA C 51 56.660 56.660 58.817 -2.157 17827 6790 1 14 . 1 1 58 58 LYS CB C 51 32.660 32.660 33.138 -0.478 17827 6791 1 14 . 1 1 58 58 LYS H H 51 7.490 7.490 7.483 0.007 17827 6792 1 14 . 1 1 59 59 LEU N N 52 119.460 119.460 119.843 -0.383 17827 6793 1 14 . 1 1 59 59 LEU HA H 52 4.122 4.122 4.499 -0.377 17827 6794 1 14 . 1 1 59 59 LEU C C 52 176.645 176.645 174.964 1.681 17827 6795 1 14 . 1 1 59 59 LEU CA C 52 56.660 56.660 53.515 3.145 17827 6796 1 14 . 1 1 59 59 LEU CB C 52 42.700 42.700 41.406 1.294 17827 6797 1 14 . 1 1 59 59 LEU H H 52 7.470 7.470 7.912 -0.442 17827 6798 1 14 . 1 1 62 62 LYS C C 55 175.670 175.670 175.213 0.457 17827 6799 1 14 . 1 1 63 63 LYS N N 56 122.430 122.430 118.437 3.993 17827 6800 1 14 . 1 1 63 63 LYS HA H 56 4.030 4.030 4.157 -0.127 17827 6801 1 14 . 1 1 63 63 LYS C C 56 172.850 172.850 175.591 -2.741 17827 6802 1 14 . 1 1 63 63 LYS CA C 56 54.530 54.530 56.365 -1.835 17827 6803 1 14 . 1 1 63 63 LYS CB C 56 34.440 34.440 33.264 1.176 17827 6804 1 14 . 1 1 63 63 LYS H H 56 7.245 7.245 7.661 -0.416 17827 6805 1 14 . 1 1 64 64 ASP N N 57 118.867 118.867 122.661 -3.794 17827 6806 1 14 . 1 1 64 64 ASP HA H 57 4.530 4.530 4.097 0.433 17827 6807 1 14 . 1 1 64 64 ASP C C 57 176.710 176.710 175.309 1.401 17827 6808 1 14 . 1 1 64 64 ASP CA C 57 52.500 52.500 53.136 -0.636 17827 6809 1 14 . 1 1 64 64 ASP CB C 57 40.320 40.320 42.004 -1.684 17827 6810 1 14 . 1 1 64 64 ASP H H 57 7.867 7.867 8.281 -0.414 17827 6811 1 14 . 1 1 65 65 TRP N N 58 128.827 128.827 121.604 7.223 17827 6812 1 14 . 1 1 65 65 TRP HA H 58 4.540 4.540 3.765 0.775 17827 6813 1 14 . 1 1 65 65 TRP C C 58 178.390 178.390 177.064 1.326 17827 6814 1 14 . 1 1 65 65 TRP CA C 58 52.860 52.860 57.881 -5.021 17827 6815 1 14 . 1 1 65 65 TRP CB C 58 29.420 29.420 28.822 0.598 17827 6816 1 14 . 1 1 65 65 TRP H H 58 8.790 8.790 7.888 0.902 17827 6817 1 14 . 1 1 66 66 SER N N 59 117.724 117.724 113.893 3.831 17827 6818 1 14 . 1 1 66 66 SER HA H 59 4.143 4.143 4.357 -0.214 17827 6819 1 14 . 1 1 66 66 SER C C 59 174.471 174.471 175.019 -0.548 17827 6820 1 14 . 1 1 66 66 SER CA C 59 62.350 62.350 59.989 2.361 17827 6821 1 14 . 1 1 66 66 SER CB C 59 63.110 63.110 62.758 0.352 17827 6822 1 14 . 1 1 66 66 SER H H 59 8.637 8.637 8.194 0.443 17827 6823 1 14 . 1 1 67 67 ASP N N 60 121.042 121.042 118.368 2.674 17827 6824 1 14 . 1 1 67 67 ASP C C 60 176.206 176.206 175.669 0.537 17827 6825 1 14 . 1 1 67 67 ASP CB C 60 42.560 42.560 41.952 0.608 17827 6826 1 14 . 1 1 67 67 ASP H H 60 8.895 8.895 7.886 1.009 17827 6827 1 14 . 1 1 68 68 HIS N N 61 121.519 121.519 118.608 2.911 17827 6828 1 14 . 1 1 68 68 HIS HA H 61 4.490 4.490 4.520 -0.030 17827 6829 1 14 . 1 1 68 68 HIS C C 61 174.546 174.546 173.869 0.677 17827 6830 1 14 . 1 1 68 68 HIS CA C 61 57.940 57.940 54.539 3.401 17827 6831 1 14 . 1 1 68 68 HIS CB C 61 39.410 39.410 30.528 8.882 17827 6832 1 14 . 1 1 68 68 HIS H H 61 7.958 7.958 7.520 0.438 17827 6833 1 14 . 1 1 69 69 ALA N N 62 122.256 122.256 119.528 2.728 17827 6834 1 14 . 1 1 69 69 ALA C C 62 175.294 175.294 174.549 0.745 17827 6835 1 14 . 1 1 69 69 ALA CB C 62 22.470 22.470 22.409 0.061 17827 6836 1 14 . 1 1 69 69 ALA H H 62 8.575 8.575 8.519 0.056 17827 6837 1 14 . 1 1 70 70 LEU N N 63 118.904 118.904 119.581 -0.677 17827 6838 1 14 . 1 1 70 70 LEU HA H 63 5.654 5.654 4.929 0.725 17827 6839 1 14 . 1 1 70 70 LEU C C 63 174.445 174.445 176.151 -1.706 17827 6840 1 14 . 1 1 70 70 LEU CA C 63 53.930 53.930 53.063 0.867 17827 6841 1 14 . 1 1 70 70 LEU CB C 63 44.300 44.300 42.770 1.530 17827 6842 1 14 . 1 1 70 70 LEU H H 63 9.150 9.150 8.672 0.478 17827 6843 1 14 . 1 1 71 71 TRP N N 64 125.367 125.367 127.415 -2.048 17827 6844 1 14 . 1 1 71 71 TRP C C 64 174.010 174.010 174.337 -0.327 17827 6845 1 14 . 1 1 71 71 TRP CB C 64 32.210 32.210 30.142 2.068 17827 6846 1 14 . 1 1 71 71 TRP H H 64 9.590 9.590 8.413 1.177 17827 6847 1 14 . 1 1 72 72 TRP N N 65 129.982 129.982 130.454 -0.472 17827 6848 1 14 . 1 1 72 72 TRP HA H 65 4.980 4.980 4.420 0.560 17827 6849 1 14 . 1 1 72 72 TRP C C 65 174.335 174.335 175.680 -1.345 17827 6850 1 14 . 1 1 72 72 TRP CA C 65 51.440 51.440 54.533 -3.093 17827 6851 1 14 . 1 1 72 72 TRP CB C 65 30.490 30.490 30.163 0.327 17827 6852 1 14 . 1 1 72 72 TRP H H 65 8.277 8.277 8.446 -0.169 17827 6853 1 14 . 1 1 73 73 GLU N N 66 129.112 129.112 125.813 3.299 17827 6854 1 14 . 1 1 73 73 GLU HA H 66 3.300 3.300 3.407 -0.107 17827 6855 1 14 . 1 1 73 73 GLU C C 66 178.595 178.595 176.883 1.712 17827 6856 1 14 . 1 1 73 73 GLU CA C 66 59.920 59.920 57.989 1.931 17827 6857 1 14 . 1 1 73 73 GLU CB C 66 29.060 29.060 29.014 0.046 17827 6858 1 14 . 1 1 73 73 GLU H H 66 8.969 8.969 8.378 0.591 17827 6859 1 14 . 1 1 74 74 LYS N N 67 117.492 117.492 119.625 -2.133 17827 6860 1 14 . 1 1 74 74 LYS HA H 67 3.702 3.702 3.811 -0.109 17827 6861 1 14 . 1 1 74 74 LYS C C 67 176.361 176.361 176.769 -0.408 17827 6862 1 14 . 1 1 74 74 LYS CA C 67 58.660 58.660 59.093 -0.433 17827 6863 1 14 . 1 1 74 74 LYS CB C 67 32.020 32.020 31.986 0.034 17827 6864 1 14 . 1 1 74 74 LYS H H 67 7.860 7.860 8.166 -0.306 17827 6865 1 14 . 1 1 75 75 LYS N N 68 121.233 121.233 115.840 5.393 17827 6866 1 14 . 1 1 75 75 LYS HA H 68 3.935 3.935 4.020 -0.085 17827 6867 1 14 . 1 1 75 75 LYS C C 68 174.183 174.183 175.362 -1.179 17827 6868 1 14 . 1 1 75 75 LYS CA C 68 53.400 53.400 55.407 -2.007 17827 6869 1 14 . 1 1 75 75 LYS CB C 68 32.200 32.200 32.475 -0.275 17827 6870 1 14 . 1 1 75 75 LYS H H 68 7.500 7.500 7.240 0.260 17827 6871 1 14 . 1 1 76 76 ARG N N 69 121.125 121.125 117.352 3.773 17827 6872 1 14 . 1 1 76 76 ARG HA H 69 2.890 2.890 4.328 -1.438 17827 6873 1 14 . 1 1 76 76 ARG C C 69 173.984 173.984 175.006 -1.022 17827 6874 1 14 . 1 1 76 76 ARG CA C 69 56.316 56.316 56.900 -0.584 17827 6875 1 14 . 1 1 76 76 ARG CB C 69 27.090 27.090 26.670 0.420 17827 6876 1 14 . 1 1 76 76 ARG H H 69 7.500 7.500 7.672 -0.172 17827 6877 1 14 . 1 1 77 77 THR N N 70 110.478 110.478 113.264 -2.786 17827 6878 1 14 . 1 1 77 77 THR HA H 70 4.650 4.650 3.930 0.720 17827 6879 1 14 . 1 1 77 77 THR C C 70 171.846 171.846 173.035 -1.189 17827 6880 1 14 . 1 1 77 77 THR CA C 70 61.630 61.630 60.102 1.528 17827 6881 1 14 . 1 1 77 77 THR CB C 70 72.210 72.210 70.317 1.893 17827 6882 1 14 . 1 1 77 77 THR H H 70 6.280 6.280 7.722 -1.442 17827 6883 1 14 . 1 1 78 78 TRP N N 71 127.244 127.244 126.114 1.130 17827 6884 1 14 . 1 1 78 78 TRP HA H 71 4.750 4.750 5.490 -0.740 17827 6885 1 14 . 1 1 78 78 TRP C C 71 177.303 177.303 176.476 0.827 17827 6886 1 14 . 1 1 78 78 TRP CA C 71 56.240 56.240 56.244 -0.004 17827 6887 1 14 . 1 1 78 78 TRP CB C 71 30.500 30.500 30.452 0.048 17827 6888 1 14 . 1 1 78 78 TRP H H 71 8.795 8.795 8.118 0.677 17827 6889 1 14 . 1 1 79 79 LEU N N 72 125.202 125.202 121.869 3.333 17827 6890 1 14 . 1 1 79 79 LEU HA H 72 4.500 4.500 4.735 -0.235 17827 6891 1 14 . 1 1 79 79 LEU C C 72 175.667 175.667 176.397 -0.730 17827 6892 1 14 . 1 1 79 79 LEU CA C 72 52.510 52.510 54.202 -1.692 17827 6893 1 14 . 1 1 79 79 LEU CB C 72 38.240 38.240 41.158 -2.918 17827 6894 1 14 . 1 1 79 79 LEU H H 72 9.175 9.175 8.129 1.046 17827 6895 1 14 . 1 1 80 80 LEU N N 73 119.170 119.170 123.873 -4.703 17827 6896 1 14 . 1 1 80 80 LEU HA H 73 4.380 4.380 4.509 -0.129 17827 6897 1 14 . 1 1 80 80 LEU C C 73 178.139 178.139 176.774 1.365 17827 6898 1 14 . 1 1 80 80 LEU CA C 73 54.700 54.700 55.506 -0.806 17827 6899 1 14 . 1 1 80 80 LEU CB C 73 42.170 42.170 42.836 -0.666 17827 6900 1 14 . 1 1 80 80 LEU H H 73 7.280 7.280 8.482 -1.202 17827 6901 1 14 . 1 1 81 81 LYS N N 74 119.766 119.766 118.301 1.465 17827 6902 1 14 . 1 1 81 81 LYS HA H 74 4.435 4.435 4.345 0.090 17827 6903 1 14 . 1 1 81 81 LYS C C 74 176.601 176.601 177.315 -0.714 17827 6904 1 14 . 1 1 81 81 LYS CA C 74 54.660 54.660 56.621 -1.961 17827 6905 1 14 . 1 1 81 81 LYS CB C 74 28.540 28.540 33.519 -4.979 17827 6906 1 14 . 1 1 81 81 LYS H H 74 7.865 7.865 7.788 0.077 17827 6907 1 14 . 1 1 82 82 THR N N 75 115.636 115.636 114.351 1.285 17827 6908 1 14 . 1 1 82 82 THR HA H 75 3.800 3.800 4.313 -0.513 17827 6909 1 14 . 1 1 82 82 THR C C 75 174.806 174.806 175.271 -0.465 17827 6910 1 14 . 1 1 82 82 THR CA C 75 64.650 64.650 63.628 1.022 17827 6911 1 14 . 1 1 82 82 THR CB C 75 68.260 68.260 68.972 -0.712 17827 6912 1 14 . 1 1 82 82 THR H H 75 7.910 7.910 8.679 -0.769 17827 6913 1 14 . 1 1 83 83 HIS N N 76 116.767 116.767 117.522 -0.755 17827 6914 1 14 . 1 1 83 83 HIS C C 76 176.370 176.370 174.507 1.863 17827 6915 1 14 . 1 1 83 83 HIS CB C 76 30.210 30.210 29.954 0.256 17827 6916 1 14 . 1 1 83 83 HIS H H 76 8.965 8.965 8.230 0.735 17827 6917 1 14 . 1 1 84 84 TRP N N 77 123.905 123.905 118.073 5.832 17827 6918 1 14 . 1 1 84 84 TRP C C 77 175.584 175.584 175.132 0.452 17827 6919 1 14 . 1 1 84 84 TRP CB C 77 30.390 30.390 28.745 1.645 17827 6920 1 14 . 1 1 84 84 TRP H H 77 7.635 7.635 7.523 0.112 17827 6921 1 14 . 1 1 85 85 THR N N 78 108.440 108.440 113.939 -5.499 17827 6922 1 14 . 1 1 85 85 THR HA H 78 4.900 4.900 4.138 0.762 17827 6923 1 14 . 1 1 85 85 THR C C 78 175.691 175.691 176.383 -0.692 17827 6924 1 14 . 1 1 85 85 THR CA C 78 59.500 59.500 63.633 -4.133 17827 6925 1 14 . 1 1 85 85 THR CB C 78 70.600 70.600 69.401 1.198 17827 6926 1 14 . 1 1 85 85 THR H H 78 7.030 7.030 7.548 -0.518 17827 6927 1 14 . 1 1 86 86 LEU N N 79 119.766 119.766 121.214 -1.448 17827 6928 1 14 . 1 1 86 86 LEU HA H 79 4.040 4.040 4.012 0.028 17827 6929 1 14 . 1 1 86 86 LEU C C 79 179.734 179.734 179.054 0.680 17827 6930 1 14 . 1 1 86 86 LEU CA C 79 58.750 58.750 59.403 -0.652 17827 6931 1 14 . 1 1 86 86 LEU CB C 79 40.450 40.450 40.719 -0.269 17827 6932 1 14 . 1 1 86 86 LEU H H 79 8.045 8.045 8.603 -0.558 17827 6933 1 14 . 1 1 87 87 ASP N N 80 118.407 118.407 119.864 -1.457 17827 6934 1 14 . 1 1 87 87 ASP HA H 80 4.440 4.440 4.365 0.075 17827 6935 1 14 . 1 1 87 87 ASP C C 80 179.152 179.152 178.668 0.484 17827 6936 1 14 . 1 1 87 87 ASP CA C 80 57.320 57.320 56.991 0.329 17827 6937 1 14 . 1 1 87 87 ASP CB C 80 40.320 40.320 40.285 0.035 17827 6938 1 14 . 1 1 87 87 ASP H H 80 8.935 8.935 8.830 0.105 17827 6939 1 14 . 1 1 88 88 LYS N N 81 123.300 123.300 119.868 3.432 17827 6940 1 14 . 1 1 88 88 LYS HA H 81 3.700 3.700 3.852 -0.152 17827 6941 1 14 . 1 1 88 88 LYS C C 81 178.721 178.721 177.957 0.764 17827 6942 1 14 . 1 1 88 88 LYS CA C 81 59.020 59.020 58.899 0.121 17827 6943 1 14 . 1 1 88 88 LYS CB C 81 31.640 31.640 31.819 -0.179 17827 6944 1 14 . 1 1 88 88 LYS H H 81 8.055 8.055 8.282 -0.227 17827 6945 1 14 . 1 1 89 89 TYR N N 82 115.690 115.690 117.450 -1.760 17827 6946 1 14 . 1 1 89 89 TYR HA H 82 4.580 4.580 4.687 -0.107 17827 6947 1 14 . 1 1 89 89 TYR C C 82 176.164 176.164 175.905 0.259 17827 6948 1 14 . 1 1 89 89 TYR CA C 82 61.750 61.750 59.271 2.479 17827 6949 1 14 . 1 1 89 89 TYR CB C 82 40.750 40.750 39.399 1.351 17827 6950 1 14 . 1 1 89 89 TYR H H 82 7.730 7.730 7.742 -0.012 17827 6951 1 14 . 1 1 90 90 GLY N N 83 108.212 108.212 107.074 1.138 17827 6952 1 14 . 1 1 90 90 GLY C C 83 174.555 174.555 174.454 0.101 17827 6953 1 14 . 1 1 90 90 GLY CA C 83 45.510 45.510 44.919 0.591 17827 6954 1 14 . 1 1 90 90 GLY H H 83 8.030 8.030 8.022 0.008 17827 6955 1 14 . 1 1 91 91 ILE N N 84 122.960 122.960 120.487 2.473 17827 6956 1 14 . 1 1 91 91 ILE HA H 84 3.370 3.370 4.139 -0.769 17827 6957 1 14 . 1 1 91 91 ILE C C 84 173.611 173.611 175.005 -1.394 17827 6958 1 14 . 1 1 91 91 ILE CA C 84 61.700 61.700 61.415 0.285 17827 6959 1 14 . 1 1 91 91 ILE CB C 84 37.610 37.610 39.070 -1.460 17827 6960 1 14 . 1 1 91 91 ILE H H 84 7.850 7.850 7.864 -0.014 17827 6961 1 14 . 1 1 92 92 GLN N N 85 125.429 125.429 124.288 1.141 17827 6962 1 14 . 1 1 92 92 GLN HA H 85 3.880 3.880 3.648 0.232 17827 6963 1 14 . 1 1 92 92 GLN C C 85 174.756 174.756 175.056 -0.300 17827 6964 1 14 . 1 1 92 92 GLN CA C 85 53.720 53.720 54.750 -1.030 17827 6965 1 14 . 1 1 92 92 GLN CB C 85 31.150 31.150 30.759 0.391 17827 6966 1 14 . 1 1 92 92 GLN H H 85 7.700 7.700 8.078 -0.378 17827 6967 1 14 . 1 1 93 93 ALA N N 86 118.217 118.217 120.844 -2.627 17827 6968 1 14 . 1 1 93 93 ALA HA H 86 3.800 3.800 4.406 -0.606 17827 6969 1 14 . 1 1 93 93 ALA C C 86 177.201 177.201 177.400 -0.199 17827 6970 1 14 . 1 1 93 93 ALA CA C 86 54.080 54.080 53.252 0.828 17827 6971 1 14 . 1 1 93 93 ALA CB C 86 18.410 18.410 18.768 -0.358 17827 6972 1 14 . 1 1 93 93 ALA H H 86 6.886 6.886 8.061 -1.175 17827 6973 1 14 . 1 1 94 94 ASP N N 87 113.647 113.647 117.599 -3.952 17827 6974 1 14 . 1 1 94 94 ASP HA H 87 4.420 4.420 4.519 -0.099 17827 6975 1 14 . 1 1 94 94 ASP C C 87 176.218 176.218 175.184 1.034 17827 6976 1 14 . 1 1 94 94 ASP CA C 87 54.060 54.060 53.826 0.234 17827 6977 1 14 . 1 1 94 94 ASP CB C 87 39.600 39.600 40.913 -1.313 17827 6978 1 14 . 1 1 94 94 ASP H H 87 8.223 8.223 7.998 0.225 17827 6979 1 14 . 1 1 95 95 ALA N N 88 124.145 124.145 123.067 1.078 17827 6980 1 14 . 1 1 95 95 ALA HA H 88 4.306 4.306 4.521 -0.215 17827 6981 1 14 . 1 1 95 95 ALA C C 88 176.630 176.630 176.212 0.418 17827 6982 1 14 . 1 1 95 95 ALA CA C 88 53.320 53.320 51.566 1.754 17827 6983 1 14 . 1 1 95 95 ALA CB C 88 20.020 20.020 19.571 0.449 17827 6984 1 14 . 1 1 95 95 ALA H H 88 7.941 7.941 7.063 0.878 17827 6985 1 14 . 1 1 96 96 LYS N N 89 120.897 120.897 126.495 -5.598 17827 6986 1 14 . 1 1 96 96 LYS HA H 89 4.826 4.826 4.791 0.035 17827 6987 1 14 . 1 1 96 96 LYS C C 89 176.161 176.161 176.092 0.069 17827 6988 1 14 . 1 1 96 96 LYS CA C 89 54.736 54.736 55.034 -0.298 17827 6989 1 14 . 1 1 96 96 LYS CB C 89 32.390 32.390 32.166 0.224 17827 6990 1 14 . 1 1 96 96 LYS H H 89 8.500 8.500 8.588 -0.088 17827 6991 1 14 . 1 1 97 97 LEU N N 90 122.960 122.960 124.970 -2.010 17827 6992 1 14 . 1 1 97 97 LEU HA H 90 5.075 5.075 4.226 0.849 17827 6993 1 14 . 1 1 97 97 LEU C C 90 176.394 176.394 175.818 0.576 17827 6994 1 14 . 1 1 97 97 LEU CA C 90 53.060 53.060 54.697 -1.637 17827 6995 1 14 . 1 1 97 97 LEU CB C 90 44.850 44.850 43.017 1.833 17827 6996 1 14 . 1 1 97 97 LEU H H 90 8.566 8.566 8.671 -0.105 17827 6997 1 14 . 1 1 98 98 GLN N N 91 119.538 119.538 114.890 4.648 17827 6998 1 14 . 1 1 98 98 GLN HA H 91 5.710 5.710 4.822 0.888 17827 6999 1 14 . 1 1 98 98 GLN C C 91 174.144 174.144 174.682 -0.538 17827 7000 1 14 . 1 1 98 98 GLN CA C 91 54.360 54.360 54.305 0.055 17827 7001 1 14 . 1 1 98 98 GLN CB C 91 32.290 32.290 32.622 -0.332 17827 7002 1 14 . 1 1 98 98 GLN H H 91 9.060 9.060 7.730 1.330 17827 7003 1 14 . 1 1 99 99 PHE N N 92 125.674 125.674 120.277 5.397 17827 7004 1 14 . 1 1 99 99 PHE HA H 92 5.700 5.700 5.404 0.296 17827 7005 1 14 . 1 1 99 99 PHE C C 92 174.537 174.537 173.970 0.567 17827 7006 1 14 . 1 1 99 99 PHE CA C 92 54.190 54.190 56.544 -2.354 17827 7007 1 14 . 1 1 99 99 PHE CB C 92 41.080 41.080 43.596 -2.516 17827 7008 1 14 . 1 1 99 99 PHE H H 92 9.290 9.290 9.585 -0.295 17827 7009 1 14 . 1 1 100 100 THR N N 93 124.543 124.543 116.647 7.896 17827 7010 1 14 . 1 1 100 100 THR HA H 93 5.100 5.100 4.882 0.218 17827 7011 1 14 . 1 1 100 100 THR C C 93 180.164 180.164 171.772 8.392 17827 7012 1 14 . 1 1 100 100 THR CA C 93 58.830 58.830 59.561 -0.731 17827 7013 1 14 . 1 1 100 100 THR CB C 93 73.610 73.610 71.162 2.448 17827 7014 1 14 . 1 1 100 100 THR H H 93 8.945 8.945 8.666 0.279 17827 7015 1 15 . 1 1 9 9 ALA N N 2 124.336 124.336 122.639 1.697 17827 7016 1 15 . 1 1 9 9 ALA HA H 2 4.210 4.210 4.578 -0.368 17827 7017 1 15 . 1 1 9 9 ALA C C 2 177.598 177.598 176.953 0.645 17827 7018 1 15 . 1 1 9 9 ALA CA C 2 52.440 52.440 51.734 0.706 17827 7019 1 15 . 1 1 9 9 ALA CB C 2 19.030 19.030 18.725 0.305 17827 7020 1 15 . 1 1 9 9 ALA H H 2 8.018 8.018 8.115 -0.097 17827 7021 1 15 . 1 1 10 10 LEU N N 3 121.125 121.125 121.215 -0.090 17827 7022 1 15 . 1 1 10 10 LEU HA H 3 4.210 4.210 4.108 0.102 17827 7023 1 15 . 1 1 10 10 LEU C C 3 177.094 177.094 177.644 -0.550 17827 7024 1 15 . 1 1 10 10 LEU CA C 3 55.320 55.320 56.934 -1.614 17827 7025 1 15 . 1 1 10 10 LEU CB C 3 42.170 42.170 41.828 0.342 17827 7026 1 15 . 1 1 10 10 LEU H H 3 8.057 8.057 8.308 -0.251 17827 7027 1 15 . 1 1 11 11 ASP N N 4 119.766 119.766 117.182 2.584 17827 7028 1 15 . 1 1 11 11 ASP HA H 4 4.475 4.475 4.322 0.153 17827 7029 1 15 . 1 1 11 11 ASP C C 4 176.509 176.509 176.078 0.431 17827 7030 1 15 . 1 1 11 11 ASP CA C 4 54.550 54.550 55.597 -1.047 17827 7031 1 15 . 1 1 11 11 ASP CB C 4 40.950 40.950 39.644 1.306 17827 7032 1 15 . 1 1 11 11 ASP H H 4 8.145 8.145 8.569 -0.424 17827 7033 1 15 . 1 1 12 12 GLY N N 5 108.440 108.440 104.861 3.579 17827 7034 1 15 . 1 1 12 12 GLY C C 5 173.692 173.692 175.285 -1.593 17827 7035 1 15 . 1 1 12 12 GLY CA C 5 45.310 45.310 45.197 0.113 17827 7036 1 15 . 1 1 12 12 GLY H H 5 8.110 8.110 7.922 0.188 17827 7037 1 15 . 1 1 13 13 ILE N N 6 119.766 119.766 121.379 -1.613 17827 7038 1 15 . 1 1 13 13 ILE HA H 6 4.100 4.100 3.641 0.459 17827 7039 1 15 . 1 1 13 13 ILE C C 6 175.525 175.525 176.943 -1.418 17827 7040 1 15 . 1 1 13 13 ILE CA C 6 60.710 60.710 64.171 -3.461 17827 7041 1 15 . 1 1 13 13 ILE CB C 6 38.430 38.430 37.840 0.590 17827 7042 1 15 . 1 1 13 13 ILE H H 6 7.790 7.790 7.460 0.330 17827 7043 1 15 . 1 1 14 14 ARG N N 7 125.657 125.657 120.139 5.518 17827 7044 1 15 . 1 1 14 14 ARG HA H 7 4.210 4.210 4.188 0.022 17827 7045 1 15 . 1 1 14 14 ARG C C 7 175.810 175.810 176.326 -0.516 17827 7046 1 15 . 1 1 14 14 ARG CA C 7 55.640 55.640 57.975 -2.335 17827 7047 1 15 . 1 1 14 14 ARG CB C 7 30.990 30.990 30.406 0.584 17827 7048 1 15 . 1 1 14 14 ARG H H 7 8.410 8.410 8.092 0.318 17827 7049 1 15 . 1 1 15 15 MET N N 8 123.598 123.598 113.614 9.984 17827 7050 1 15 . 1 1 15 15 MET HA H 8 4.210 4.210 5.052 -0.842 17827 7051 1 15 . 1 1 15 15 MET C C 8 174.950 174.950 173.776 1.174 17827 7052 1 15 . 1 1 15 15 MET CA C 8 55.330 55.330 53.222 2.108 17827 7053 1 15 . 1 1 15 15 MET CB C 8 31.730 31.730 33.116 -1.386 17827 7054 1 15 . 1 1 15 15 MET H H 8 8.495 8.495 8.159 0.336 17827 7055 1 15 . 1 1 16 16 PRO HA H 9 4.290 4.290 4.284 0.006 17827 7056 1 15 . 1 1 16 16 PRO C C 9 176.228 176.228 176.522 -0.294 17827 7057 1 15 . 1 1 16 16 PRO CA C 9 63.370 63.370 65.244 -1.874 17827 7058 1 15 . 1 1 16 16 PRO CB C 9 31.820 31.820 30.832 0.988 17827 7059 1 15 . 1 1 17 17 ASP N N 10 117.952 117.952 115.909 2.043 17827 7060 1 15 . 1 1 17 17 ASP HA H 10 4.420 4.420 4.555 -0.135 17827 7061 1 15 . 1 1 17 17 ASP C C 10 176.714 176.714 176.778 -0.064 17827 7062 1 15 . 1 1 17 17 ASP CA C 10 54.130 54.130 53.843 0.287 17827 7063 1 15 . 1 1 17 17 ASP CB C 10 40.430 40.430 40.876 -0.446 17827 7064 1 15 . 1 1 17 17 ASP H H 10 8.076 8.076 7.826 0.250 17827 7065 1 15 . 1 1 18 18 GLY N N 11 108.663 108.663 106.306 2.357 17827 7066 1 15 . 1 1 18 18 GLY C C 11 173.819 173.819 174.363 -0.544 17827 7067 1 15 . 1 1 18 18 GLY CA C 11 45.300 45.300 45.595 -0.295 17827 7068 1 15 . 1 1 18 18 GLY H H 11 8.255 8.255 7.702 0.553 17827 7069 1 15 . 1 1 19 19 CYS N N 12 118.179 118.179 119.501 -1.322 17827 7070 1 15 . 1 1 19 19 CYS HA H 12 4.550 4.550 4.161 0.389 17827 7071 1 15 . 1 1 19 19 CYS C C 12 174.073 174.073 174.539 -0.466 17827 7072 1 15 . 1 1 19 19 CYS CA C 12 58.420 58.420 61.653 -3.233 17827 7073 1 15 . 1 1 19 19 CYS CB C 12 28.400 28.400 28.560 -0.160 17827 7074 1 15 . 1 1 19 19 CYS H H 12 7.850 7.850 8.171 -0.321 17827 7075 1 15 . 1 1 20 20 TYR N N 13 120.897 120.897 119.808 1.089 17827 7076 1 15 . 1 1 20 20 TYR HA H 13 4.550 4.550 4.443 0.107 17827 7077 1 15 . 1 1 20 20 TYR C C 13 176.748 176.748 175.414 1.334 17827 7078 1 15 . 1 1 20 20 TYR CA C 13 58.470 58.470 58.205 0.265 17827 7079 1 15 . 1 1 20 20 TYR CB C 13 39.210 39.210 40.054 -0.844 17827 7080 1 15 . 1 1 20 20 TYR H H 13 8.550 8.550 8.104 0.446 17827 7081 1 15 . 1 1 21 21 ALA N N 14 124.750 124.750 123.577 1.173 17827 7082 1 15 . 1 1 21 21 ALA HA H 14 4.190 4.190 3.981 0.209 17827 7083 1 15 . 1 1 21 21 ALA C C 14 177.181 177.181 177.417 -0.236 17827 7084 1 15 . 1 1 21 21 ALA CA C 14 53.530 53.530 53.386 0.144 17827 7085 1 15 . 1 1 21 21 ALA CB C 14 18.630 18.630 18.974 -0.345 17827 7086 1 15 . 1 1 21 21 ALA H H 14 8.615 8.615 6.671 1.944 17827 7087 1 15 . 1 1 22 22 ASP N N 15 117.500 117.500 117.693 -0.193 17827 7088 1 15 . 1 1 22 22 ASP HA H 15 4.480 4.480 4.644 -0.164 17827 7089 1 15 . 1 1 22 22 ASP C C 15 176.708 176.708 176.737 -0.029 17827 7090 1 15 . 1 1 22 22 ASP CA C 15 53.500 53.500 54.070 -0.570 17827 7091 1 15 . 1 1 22 22 ASP CB C 15 40.730 40.730 41.314 -0.584 17827 7092 1 15 . 1 1 22 22 ASP H H 15 7.960 7.960 8.570 -0.610 17827 7093 1 15 . 1 1 23 23 GLY N N 16 108.891 108.891 106.038 2.853 17827 7094 1 15 . 1 1 23 23 GLY C C 16 174.373 174.373 173.680 0.693 17827 7095 1 15 . 1 1 23 23 GLY CA C 16 45.370 45.370 46.201 -0.831 17827 7096 1 15 . 1 1 23 23 GLY H H 16 8.344 8.344 8.585 -0.241 17827 7097 1 15 . 1 1 24 24 THR N N 17 110.929 110.929 108.089 2.840 17827 7098 1 15 . 1 1 24 24 THR HA H 17 4.640 4.640 4.636 0.004 17827 7099 1 15 . 1 1 24 24 THR C C 17 173.620 173.620 172.585 1.035 17827 7100 1 15 . 1 1 24 24 THR CA C 17 60.540 60.540 60.449 0.091 17827 7101 1 15 . 1 1 24 24 THR CB C 17 72.100 72.100 70.108 1.992 17827 7102 1 15 . 1 1 24 24 THR H H 17 7.850 7.850 7.405 0.445 17827 7103 1 15 . 1 1 25 25 TRP N N 18 117.728 117.728 117.500 0.228 17827 7104 1 15 . 1 1 25 25 TRP HA H 18 4.945 4.945 5.056 -0.111 17827 7105 1 15 . 1 1 25 25 TRP C C 18 174.164 174.164 174.002 0.162 17827 7106 1 15 . 1 1 25 25 TRP CA C 18 54.620 54.620 56.548 -1.928 17827 7107 1 15 . 1 1 25 25 TRP CB C 18 30.650 30.650 30.525 0.125 17827 7108 1 15 . 1 1 25 25 TRP H H 18 8.640 8.640 7.483 1.157 17827 7109 1 15 . 1 1 26 26 GLU N N 19 117.728 117.728 118.393 -0.665 17827 7110 1 15 . 1 1 26 26 GLU HA H 19 4.851 4.851 4.828 0.023 17827 7111 1 15 . 1 1 26 26 GLU C C 19 174.786 174.786 174.499 0.287 17827 7112 1 15 . 1 1 26 26 GLU CA C 19 55.710 55.710 54.740 0.970 17827 7113 1 15 . 1 1 26 26 GLU CB C 19 31.500 31.500 32.503 -1.003 17827 7114 1 15 . 1 1 26 26 GLU H H 19 8.744 8.744 8.485 0.259 17827 7115 1 15 . 1 1 27 27 LEU N N 20 126.668 126.668 119.209 7.459 17827 7116 1 15 . 1 1 27 27 LEU HA H 20 4.880 4.880 4.652 0.228 17827 7117 1 15 . 1 1 27 27 LEU C C 20 175.123 175.123 175.198 -0.075 17827 7118 1 15 . 1 1 27 27 LEU CA C 20 53.252 53.252 53.418 -0.166 17827 7119 1 15 . 1 1 27 27 LEU CB C 20 45.280 45.280 46.621 -1.341 17827 7120 1 15 . 1 1 27 27 LEU H H 20 8.980 8.980 8.835 0.145 17827 7121 1 15 . 1 1 28 28 SER N N 21 121.804 121.804 117.085 4.719 17827 7122 1 15 . 1 1 28 28 SER HA H 21 4.894 4.894 5.014 -0.120 17827 7123 1 15 . 1 1 28 28 SER C C 21 173.483 173.483 172.752 0.731 17827 7124 1 15 . 1 1 28 28 SER CA C 21 57.880 57.880 57.040 0.840 17827 7125 1 15 . 1 1 28 28 SER CB C 21 63.920 63.920 64.711 -0.791 17827 7126 1 15 . 1 1 28 28 SER H H 21 8.785 8.785 8.304 0.481 17827 7127 1 15 . 1 1 29 29 VAL N N 22 125.881 125.881 122.230 3.651 17827 7128 1 15 . 1 1 29 29 VAL HA H 22 4.370 4.370 4.263 0.107 17827 7129 1 15 . 1 1 29 29 VAL C C 22 173.953 173.953 174.351 -0.398 17827 7130 1 15 . 1 1 29 29 VAL CA C 22 60.440 60.440 60.116 0.324 17827 7131 1 15 . 1 1 29 29 VAL CB C 22 34.350 34.350 35.129 -0.779 17827 7132 1 15 . 1 1 29 29 VAL H H 22 8.865 8.865 8.277 0.588 17827 7133 1 15 . 1 1 30 30 HIS N N 23 126.560 126.560 123.502 3.058 17827 7134 1 15 . 1 1 30 30 HIS HA H 23 5.220 5.220 4.867 0.353 17827 7135 1 15 . 1 1 30 30 HIS C C 23 174.596 174.596 174.253 0.343 17827 7136 1 15 . 1 1 30 30 HIS CA C 23 55.250 55.250 55.589 -0.339 17827 7137 1 15 . 1 1 30 30 HIS CB C 23 30.550 30.550 32.414 -1.864 17827 7138 1 15 . 1 1 30 30 HIS H H 23 8.810 8.810 8.524 0.286 17827 7139 1 15 . 1 1 31 31 VAL N N 24 130.587 130.587 127.711 2.876 17827 7140 1 15 . 1 1 31 31 VAL HA H 24 5.230 5.230 4.535 0.695 17827 7141 1 15 . 1 1 31 31 VAL C C 24 177.426 177.426 176.887 0.539 17827 7142 1 15 . 1 1 31 31 VAL CA C 24 55.530 55.530 62.879 -7.348 17827 7143 1 15 . 1 1 31 31 VAL CB C 24 31.040 31.040 31.944 -0.904 17827 7144 1 15 . 1 1 31 31 VAL H H 24 9.043 9.043 8.910 0.133 17827 7145 1 15 . 1 1 32 32 THR N N 25 122.484 122.484 121.832 0.652 17827 7146 1 15 . 1 1 32 32 THR HA H 25 3.970 3.970 4.213 -0.243 17827 7147 1 15 . 1 1 32 32 THR C C 25 177.437 177.437 175.413 2.024 17827 7148 1 15 . 1 1 32 32 THR CA C 25 66.470 66.470 65.130 1.339 17827 7149 1 15 . 1 1 32 32 THR CB C 25 68.220 68.220 69.193 -0.973 17827 7150 1 15 . 1 1 32 32 THR H H 25 8.245 8.245 9.158 -0.913 17827 7151 1 15 . 1 1 34 34 VAL N N 27 114.090 114.090 115.595 -1.505 17827 7152 1 15 . 1 1 34 34 VAL HA H 27 4.500 4.500 4.112 0.388 17827 7153 1 15 . 1 1 34 34 VAL CA C 27 54.220 54.220 62.226 -8.006 17827 7154 1 15 . 1 1 34 34 VAL CB C 27 27.060 27.060 33.933 -6.873 17827 7155 1 15 . 1 1 34 34 VAL H H 27 6.977 6.977 7.412 -0.435 17827 7156 1 15 . 1 1 35 35 ASN N N 28 116.829 116.829 116.816 0.013 17827 7157 1 15 . 1 1 35 35 ASN HA H 28 4.299 4.299 4.529 -0.230 17827 7158 1 15 . 1 1 35 35 ASN CA C 28 53.650 53.650 54.441 -0.791 17827 7159 1 15 . 1 1 35 35 ASN CB C 28 37.110 37.110 37.578 -0.468 17827 7160 1 15 . 1 1 35 35 ASN H H 28 7.897 7.897 7.976 -0.079 17827 7161 1 15 . 1 1 36 36 ARG N N 29 114.310 114.310 117.830 -3.520 17827 7162 1 15 . 1 1 36 36 ARG HA H 29 4.700 4.700 4.885 -0.185 17827 7163 1 15 . 1 1 36 36 ARG C C 29 173.347 173.347 174.315 -0.968 17827 7164 1 15 . 1 1 36 36 ARG CA C 29 54.900 54.900 54.854 0.046 17827 7165 1 15 . 1 1 36 36 ARG CB C 29 34.700 34.700 32.700 2.000 17827 7166 1 15 . 1 1 36 36 ARG H H 29 6.787 6.787 7.815 -1.028 17827 7167 1 15 . 1 1 37 37 ASP N N 30 124.071 124.071 119.072 4.999 17827 7168 1 15 . 1 1 37 37 ASP HA H 30 5.475 5.475 4.806 0.669 17827 7169 1 15 . 1 1 37 37 ASP C C 30 175.354 175.354 174.448 0.906 17827 7170 1 15 . 1 1 37 37 ASP CA C 30 53.660 53.660 53.099 0.561 17827 7171 1 15 . 1 1 37 37 ASP CB C 30 42.260 42.260 43.149 -0.889 17827 7172 1 15 . 1 1 37 37 ASP H H 30 8.760 8.760 8.480 0.280 17827 7173 1 15 . 1 1 38 38 VAL N N 31 123.300 123.300 117.906 5.394 17827 7174 1 15 . 1 1 38 38 VAL HA H 31 4.270 4.270 4.526 -0.256 17827 7175 1 15 . 1 1 38 38 VAL C C 31 174.203 174.203 174.364 -0.161 17827 7176 1 15 . 1 1 38 38 VAL CA C 31 60.700 60.700 60.346 0.354 17827 7177 1 15 . 1 1 38 38 VAL CB C 31 34.620 34.620 36.420 -1.800 17827 7178 1 15 . 1 1 38 38 VAL H H 31 9.187 9.187 7.809 1.378 17827 7179 1 15 . 1 1 39 39 THR N N 32 119.766 119.766 112.983 6.783 17827 7180 1 15 . 1 1 39 39 THR HA H 32 5.095 5.095 4.883 0.212 17827 7181 1 15 . 1 1 39 39 THR C C 32 173.547 173.547 173.145 0.402 17827 7182 1 15 . 1 1 39 39 THR CA C 32 60.550 60.550 59.919 0.631 17827 7183 1 15 . 1 1 39 39 THR CB C 32 70.170 70.170 71.114 -0.944 17827 7184 1 15 . 1 1 39 39 THR H H 32 8.360 8.360 8.040 0.320 17827 7185 1 15 . 1 1 40 40 LEU N N 33 124.522 124.522 122.263 2.259 17827 7186 1 15 . 1 1 40 40 LEU HA H 33 4.590 4.590 4.639 -0.049 17827 7187 1 15 . 1 1 40 40 LEU C C 33 174.691 174.691 175.891 -1.200 17827 7188 1 15 . 1 1 40 40 LEU CA C 33 52.580 52.580 53.759 -1.179 17827 7189 1 15 . 1 1 40 40 LEU CB C 33 45.410 45.410 44.481 0.929 17827 7190 1 15 . 1 1 40 40 LEU H H 33 8.750 8.750 8.127 0.623 17827 7191 1 15 . 1 1 41 41 ARG N N 34 122.712 122.712 123.679 -0.967 17827 7192 1 15 . 1 1 41 41 ARG HA H 34 4.680 4.680 4.746 -0.066 17827 7193 1 15 . 1 1 41 41 ARG C C 34 175.700 175.700 174.382 1.318 17827 7194 1 15 . 1 1 41 41 ARG CA C 34 55.420 55.420 55.100 0.320 17827 7195 1 15 . 1 1 41 41 ARG CB C 34 29.500 29.500 29.680 -0.180 17827 7196 1 15 . 1 1 41 41 ARG H H 34 8.345 8.345 8.715 -0.370 17827 7197 1 15 . 1 1 42 42 VAL N N 35 117.728 117.728 116.791 0.937 17827 7198 1 15 . 1 1 42 42 VAL HA H 35 4.465 4.465 4.551 -0.086 17827 7199 1 15 . 1 1 42 42 VAL C C 35 173.184 173.184 173.856 -0.672 17827 7200 1 15 . 1 1 42 42 VAL CA C 35 58.670 58.670 58.740 -0.070 17827 7201 1 15 . 1 1 42 42 VAL CB C 35 36.050 36.050 35.051 0.999 17827 7202 1 15 . 1 1 42 42 VAL H H 35 8.640 8.640 7.926 0.714 17827 7203 1 15 . 1 1 43 43 THR N N 36 104.359 104.359 108.699 -4.340 17827 7204 1 15 . 1 1 43 43 THR HA H 36 4.660 4.660 2.465 2.195 17827 7205 1 15 . 1 1 43 43 THR C C 36 174.862 174.862 175.050 -0.188 17827 7206 1 15 . 1 1 43 43 THR CA C 36 59.010 59.010 59.721 -0.711 17827 7207 1 15 . 1 1 43 43 THR CB C 36 71.570 71.570 71.699 -0.129 17827 7208 1 15 . 1 1 43 43 THR H H 36 6.220 6.220 8.048 -1.828 17827 7209 1 15 . 1 1 44 44 GLY N N 37 105.946 105.946 107.045 -1.099 17827 7210 1 15 . 1 1 44 44 GLY C C 37 173.394 173.394 174.438 -1.044 17827 7211 1 15 . 1 1 44 44 GLY CA C 37 46.830 46.830 46.546 0.284 17827 7212 1 15 . 1 1 44 44 GLY H H 37 9.160 9.160 8.362 0.798 17827 7213 1 15 . 1 1 45 45 GLU N N 38 113.875 113.875 117.105 -3.230 17827 7214 1 15 . 1 1 45 45 GLU HA H 38 4.290 4.290 4.359 -0.069 17827 7215 1 15 . 1 1 45 45 GLU C C 38 176.167 176.167 176.560 -0.393 17827 7216 1 15 . 1 1 45 45 GLU CA C 38 55.500 55.500 55.945 -0.445 17827 7217 1 15 . 1 1 45 45 GLU CB C 38 30.950 30.950 29.932 1.018 17827 7218 1 15 . 1 1 45 45 GLU H H 38 7.500 7.500 7.260 0.240 17827 7219 1 15 . 1 1 46 46 VAL N N 39 121.577 121.577 122.287 -0.710 17827 7220 1 15 . 1 1 46 46 VAL HA H 39 3.820 3.820 3.998 -0.178 17827 7221 1 15 . 1 1 46 46 VAL C C 39 174.651 174.651 175.227 -0.576 17827 7222 1 15 . 1 1 46 46 VAL CA C 39 63.920 63.920 62.218 1.702 17827 7223 1 15 . 1 1 46 46 VAL CB C 39 31.590 31.590 32.866 -1.276 17827 7224 1 15 . 1 1 46 46 VAL H H 39 7.260 7.260 7.602 -0.342 17827 7225 1 15 . 1 1 47 47 HIS N N 40 123.391 123.391 125.845 -2.454 17827 7226 1 15 . 1 1 47 47 HIS HA H 40 5.212 5.212 4.516 0.696 17827 7227 1 15 . 1 1 47 47 HIS C C 40 177.440 177.440 176.671 0.769 17827 7228 1 15 . 1 1 47 47 HIS CA C 40 54.660 54.660 55.850 -1.190 17827 7229 1 15 . 1 1 47 47 HIS CB C 40 30.910 30.910 30.963 -0.053 17827 7230 1 15 . 1 1 47 47 HIS H H 40 8.285 8.285 8.488 -0.203 17827 7231 1 15 . 1 1 48 48 ILE N N 41 124.071 124.071 124.464 -0.393 17827 7232 1 15 . 1 1 48 48 ILE HA H 41 3.530 3.530 3.793 -0.263 17827 7233 1 15 . 1 1 48 48 ILE C C 41 178.941 178.941 177.707 1.234 17827 7234 1 15 . 1 1 48 48 ILE CA C 41 62.330 62.330 65.414 -3.084 17827 7235 1 15 . 1 1 48 48 ILE CB C 41 34.230 34.230 37.879 -3.649 17827 7236 1 15 . 1 1 48 48 ILE H H 41 8.863 8.863 7.792 1.071 17827 7237 1 15 . 1 1 49 49 GLY N N 42 106.853 106.853 104.514 2.339 17827 7238 1 15 . 1 1 49 49 GLY C C 42 175.669 175.669 175.341 0.328 17827 7239 1 15 . 1 1 49 49 GLY CA C 42 45.320 45.320 46.147 -0.827 17827 7240 1 15 . 1 1 49 49 GLY H H 42 9.720 9.720 8.651 1.069 17827 7241 1 15 . 1 1 50 50 GLY N N 43 109.571 109.571 109.071 0.500 17827 7242 1 15 . 1 1 50 50 GLY C C 43 175.847 175.847 175.286 0.561 17827 7243 1 15 . 1 1 50 50 GLY CA C 43 47.000 47.000 45.417 1.583 17827 7244 1 15 . 1 1 50 50 GLY H H 43 6.950 6.950 8.219 -1.269 17827 7245 1 15 . 1 1 51 51 VAL N N 44 123.163 123.163 124.600 -1.437 17827 7246 1 15 . 1 1 51 51 VAL HA H 44 3.115 3.115 3.523 -0.408 17827 7247 1 15 . 1 1 51 51 VAL C C 44 176.804 176.804 177.753 -0.949 17827 7248 1 15 . 1 1 51 51 VAL CA C 44 66.660 66.660 67.068 -0.408 17827 7249 1 15 . 1 1 51 51 VAL CB C 44 30.730 30.730 32.048 -1.318 17827 7250 1 15 . 1 1 51 51 VAL H H 44 7.860 7.860 8.601 -0.741 17827 7251 1 15 . 1 1 52 52 MET N N 45 115.913 115.913 117.484 -1.571 17827 7252 1 15 . 1 1 52 52 MET HA H 45 3.410 3.410 4.033 -0.623 17827 7253 1 15 . 1 1 52 52 MET C C 45 176.881 176.881 177.992 -1.111 17827 7254 1 15 . 1 1 52 52 MET CA C 45 59.830 59.830 59.403 0.427 17827 7255 1 15 . 1 1 52 52 MET CB C 45 32.310 32.310 31.994 0.316 17827 7256 1 15 . 1 1 52 52 MET H H 45 7.940 7.940 7.742 0.198 17827 7257 1 15 . 1 1 53 53 LEU N N 46 118.291 118.291 121.855 -3.564 17827 7258 1 15 . 1 1 53 53 LEU HA H 46 3.940 3.940 4.045 -0.105 17827 7259 1 15 . 1 1 53 53 LEU C C 46 179.178 179.178 179.234 -0.056 17827 7260 1 15 . 1 1 53 53 LEU CA C 46 58.500 58.500 58.062 0.438 17827 7261 1 15 . 1 1 53 53 LEU CB C 46 41.930 41.930 41.198 0.732 17827 7262 1 15 . 1 1 53 53 LEU H H 46 7.550 7.550 7.733 -0.183 17827 7263 1 15 . 1 1 54 54 LYS N N 47 118.142 118.142 119.208 -1.066 17827 7264 1 15 . 1 1 54 54 LYS HA H 47 3.870 3.870 4.116 -0.246 17827 7265 1 15 . 1 1 54 54 LYS C C 47 178.616 178.616 179.182 -0.566 17827 7266 1 15 . 1 1 54 54 LYS CA C 47 57.980 57.980 59.109 -1.129 17827 7267 1 15 . 1 1 54 54 LYS CB C 47 32.320 32.320 32.029 0.291 17827 7268 1 15 . 1 1 54 54 LYS H H 47 7.665 7.665 8.669 -1.004 17827 7269 1 15 . 1 1 55 55 LEU N N 48 119.385 119.385 120.206 -0.821 17827 7270 1 15 . 1 1 55 55 LEU HA H 48 3.570 3.570 4.295 -0.725 17827 7271 1 15 . 1 1 55 55 LEU C C 48 177.405 177.405 177.946 -0.541 17827 7272 1 15 . 1 1 55 55 LEU CA C 48 57.790 57.790 57.865 -0.075 17827 7273 1 15 . 1 1 55 55 LEU CB C 48 41.590 41.590 41.836 -0.246 17827 7274 1 15 . 1 1 55 55 LEU H H 48 7.975 7.975 7.618 0.357 17827 7275 1 15 . 1 1 56 56 VAL N N 49 116.141 116.141 119.512 -3.371 17827 7276 1 15 . 1 1 56 56 VAL HA H 49 2.990 2.990 3.778 -0.788 17827 7277 1 15 . 1 1 56 56 VAL C C 49 178.564 178.564 178.298 0.266 17827 7278 1 15 . 1 1 56 56 VAL CA C 49 66.310 66.310 66.857 -0.547 17827 7279 1 15 . 1 1 56 56 VAL CB C 49 31.300 31.300 31.664 -0.364 17827 7280 1 15 . 1 1 56 56 VAL H H 49 7.615 7.615 9.008 -1.393 17827 7281 1 15 . 1 1 57 57 GLU N N 50 118.631 118.631 117.571 1.060 17827 7282 1 15 . 1 1 57 57 GLU HA H 50 3.965 3.965 4.054 -0.089 17827 7283 1 15 . 1 1 57 57 GLU C C 50 178.030 178.030 177.832 0.198 17827 7284 1 15 . 1 1 57 57 GLU CA C 50 58.500 58.500 58.876 -0.376 17827 7285 1 15 . 1 1 57 57 GLU CB C 50 29.610 29.610 29.687 -0.077 17827 7286 1 15 . 1 1 57 57 GLU H H 50 7.575 7.575 8.652 -1.077 17827 7287 1 15 . 1 1 58 58 LYS N N 51 117.053 117.053 118.655 -1.602 17827 7288 1 15 . 1 1 58 58 LYS HA H 51 4.130 4.130 4.069 0.061 17827 7289 1 15 . 1 1 58 58 LYS C C 51 176.956 176.956 177.913 -0.957 17827 7290 1 15 . 1 1 58 58 LYS CA C 51 56.660 56.660 58.445 -1.785 17827 7291 1 15 . 1 1 58 58 LYS CB C 51 32.660 32.660 32.876 -0.216 17827 7292 1 15 . 1 1 58 58 LYS H H 51 7.490 7.490 7.361 0.129 17827 7293 1 15 . 1 1 59 59 LEU N N 52 119.460 119.460 119.800 -0.340 17827 7294 1 15 . 1 1 59 59 LEU HA H 52 4.122 4.122 4.096 0.026 17827 7295 1 15 . 1 1 59 59 LEU C C 52 176.645 176.645 176.397 0.248 17827 7296 1 15 . 1 1 59 59 LEU CA C 52 56.660 56.660 55.404 1.256 17827 7297 1 15 . 1 1 59 59 LEU CB C 52 42.700 42.700 42.444 0.256 17827 7298 1 15 . 1 1 59 59 LEU H H 52 7.470 7.470 7.834 -0.364 17827 7299 1 15 . 1 1 62 62 LYS C C 55 175.670 175.670 176.141 -0.471 17827 7300 1 15 . 1 1 63 63 LYS N N 56 122.430 122.430 123.969 -1.539 17827 7301 1 15 . 1 1 63 63 LYS HA H 56 4.030 4.030 4.393 -0.363 17827 7302 1 15 . 1 1 63 63 LYS C C 56 172.850 172.850 176.539 -3.689 17827 7303 1 15 . 1 1 63 63 LYS CA C 56 54.530 54.530 56.275 -1.745 17827 7304 1 15 . 1 1 63 63 LYS CB C 56 34.440 34.440 33.668 0.772 17827 7305 1 15 . 1 1 63 63 LYS H H 56 7.245 7.245 8.086 -0.841 17827 7306 1 15 . 1 1 64 64 ASP N N 57 118.867 118.867 120.516 -1.649 17827 7307 1 15 . 1 1 64 64 ASP HA H 57 4.530 4.530 4.342 0.188 17827 7308 1 15 . 1 1 64 64 ASP C C 57 176.710 176.710 176.035 0.675 17827 7309 1 15 . 1 1 64 64 ASP CA C 57 52.500 52.500 54.189 -1.689 17827 7310 1 15 . 1 1 64 64 ASP CB C 57 40.320 40.320 40.749 -0.430 17827 7311 1 15 . 1 1 64 64 ASP H H 57 7.867 7.867 8.094 -0.227 17827 7312 1 15 . 1 1 65 65 TRP N N 58 128.827 128.827 122.177 6.650 17827 7313 1 15 . 1 1 65 65 TRP HA H 58 4.540 4.540 4.924 -0.384 17827 7314 1 15 . 1 1 65 65 TRP C C 58 178.390 178.390 177.589 0.801 17827 7315 1 15 . 1 1 65 65 TRP CA C 58 52.860 52.860 57.506 -4.646 17827 7316 1 15 . 1 1 65 65 TRP CB C 58 29.420 29.420 28.418 1.002 17827 7317 1 15 . 1 1 65 65 TRP H H 58 8.790 8.790 7.460 1.330 17827 7318 1 15 . 1 1 66 66 SER N N 59 117.724 117.724 116.673 1.051 17827 7319 1 15 . 1 1 66 66 SER HA H 59 4.143 4.143 4.223 -0.080 17827 7320 1 15 . 1 1 66 66 SER C C 59 174.471 174.471 175.496 -1.025 17827 7321 1 15 . 1 1 66 66 SER CA C 59 62.350 62.350 60.733 1.617 17827 7322 1 15 . 1 1 66 66 SER CB C 59 63.110 63.110 62.560 0.550 17827 7323 1 15 . 1 1 66 66 SER H H 59 8.637 8.637 8.137 0.500 17827 7324 1 15 . 1 1 67 67 ASP N N 60 121.042 121.042 119.490 1.552 17827 7325 1 15 . 1 1 67 67 ASP C C 60 176.206 176.206 176.712 -0.506 17827 7326 1 15 . 1 1 67 67 ASP CB C 60 42.560 42.560 41.125 1.435 17827 7327 1 15 . 1 1 67 67 ASP H H 60 8.895 8.895 8.651 0.244 17827 7328 1 15 . 1 1 68 68 HIS N N 61 121.519 121.519 117.968 3.551 17827 7329 1 15 . 1 1 68 68 HIS HA H 61 4.490 4.490 4.536 -0.046 17827 7330 1 15 . 1 1 68 68 HIS C C 61 174.546 174.546 174.259 0.287 17827 7331 1 15 . 1 1 68 68 HIS CA C 61 57.940 57.940 56.069 1.871 17827 7332 1 15 . 1 1 68 68 HIS CB C 61 39.410 39.410 31.108 8.302 17827 7333 1 15 . 1 1 68 68 HIS H H 61 7.958 7.958 7.590 0.368 17827 7334 1 15 . 1 1 69 69 ALA N N 62 122.256 122.256 118.780 3.476 17827 7335 1 15 . 1 1 69 69 ALA C C 62 175.294 175.294 175.238 0.056 17827 7336 1 15 . 1 1 69 69 ALA CB C 62 22.470 22.470 22.750 -0.280 17827 7337 1 15 . 1 1 69 69 ALA H H 62 8.575 8.575 9.499 -0.924 17827 7338 1 15 . 1 1 70 70 LEU N N 63 118.904 118.904 121.154 -2.250 17827 7339 1 15 . 1 1 70 70 LEU HA H 63 5.654 5.654 5.074 0.580 17827 7340 1 15 . 1 1 70 70 LEU C C 63 174.445 174.445 176.720 -2.275 17827 7341 1 15 . 1 1 70 70 LEU CA C 63 53.930 53.930 53.431 0.499 17827 7342 1 15 . 1 1 70 70 LEU CB C 63 44.300 44.300 41.517 2.783 17827 7343 1 15 . 1 1 70 70 LEU H H 63 9.150 9.150 8.964 0.186 17827 7344 1 15 . 1 1 71 71 TRP N N 64 125.367 125.367 128.733 -3.366 17827 7345 1 15 . 1 1 71 71 TRP C C 64 174.010 174.010 174.928 -0.918 17827 7346 1 15 . 1 1 71 71 TRP CB C 64 32.210 32.210 30.657 1.554 17827 7347 1 15 . 1 1 71 71 TRP H H 64 9.590 9.590 8.626 0.964 17827 7348 1 15 . 1 1 72 72 TRP N N 65 129.982 129.982 129.806 0.176 17827 7349 1 15 . 1 1 72 72 TRP HA H 65 4.980 4.980 4.829 0.151 17827 7350 1 15 . 1 1 72 72 TRP C C 65 174.335 174.335 175.732 -1.397 17827 7351 1 15 . 1 1 72 72 TRP CA C 65 51.440 51.440 54.748 -3.308 17827 7352 1 15 . 1 1 72 72 TRP CB C 65 30.490 30.490 32.043 -1.553 17827 7353 1 15 . 1 1 72 72 TRP H H 65 8.277 8.277 8.566 -0.289 17827 7354 1 15 . 1 1 73 73 GLU N N 66 129.112 129.112 126.802 2.310 17827 7355 1 15 . 1 1 73 73 GLU HA H 66 3.300 3.300 3.262 0.038 17827 7356 1 15 . 1 1 73 73 GLU C C 66 178.595 178.595 177.473 1.122 17827 7357 1 15 . 1 1 73 73 GLU CA C 66 59.920 59.920 59.597 0.323 17827 7358 1 15 . 1 1 73 73 GLU CB C 66 29.060 29.060 28.716 0.344 17827 7359 1 15 . 1 1 73 73 GLU H H 66 8.969 8.969 8.548 0.421 17827 7360 1 15 . 1 1 74 74 LYS N N 67 117.492 117.492 117.288 0.204 17827 7361 1 15 . 1 1 74 74 LYS HA H 67 3.702 3.702 3.422 0.280 17827 7362 1 15 . 1 1 74 74 LYS C C 67 176.361 176.361 177.397 -1.036 17827 7363 1 15 . 1 1 74 74 LYS CA C 67 58.660 58.660 58.185 0.475 17827 7364 1 15 . 1 1 74 74 LYS CB C 67 32.020 32.020 31.392 0.628 17827 7365 1 15 . 1 1 74 74 LYS H H 67 7.860 7.860 6.097 1.763 17827 7366 1 15 . 1 1 75 75 LYS N N 68 121.233 121.233 115.034 6.199 17827 7367 1 15 . 1 1 75 75 LYS HA H 68 3.935 3.935 4.296 -0.361 17827 7368 1 15 . 1 1 75 75 LYS C C 68 174.183 174.183 174.778 -0.595 17827 7369 1 15 . 1 1 75 75 LYS CA C 68 53.400 53.400 54.301 -0.901 17827 7370 1 15 . 1 1 75 75 LYS CB C 68 32.200 32.200 33.170 -0.970 17827 7371 1 15 . 1 1 75 75 LYS H H 68 7.500 7.500 6.972 0.528 17827 7372 1 15 . 1 1 76 76 ARG N N 69 121.125 121.125 116.583 4.542 17827 7373 1 15 . 1 1 76 76 ARG HA H 69 2.890 2.890 2.993 -0.103 17827 7374 1 15 . 1 1 76 76 ARG C C 69 173.984 173.984 174.844 -0.860 17827 7375 1 15 . 1 1 76 76 ARG CA C 69 56.316 56.316 56.418 -0.102 17827 7376 1 15 . 1 1 76 76 ARG CB C 69 27.090 27.090 26.894 0.196 17827 7377 1 15 . 1 1 76 76 ARG H H 69 7.500 7.500 7.075 0.425 17827 7378 1 15 . 1 1 77 77 THR N N 70 110.478 110.478 112.130 -1.652 17827 7379 1 15 . 1 1 77 77 THR HA H 70 4.650 4.650 3.656 0.994 17827 7380 1 15 . 1 1 77 77 THR C C 70 171.846 171.846 172.323 -0.477 17827 7381 1 15 . 1 1 77 77 THR CA C 70 61.630 61.630 59.611 2.019 17827 7382 1 15 . 1 1 77 77 THR CB C 70 72.210 72.210 71.207 1.003 17827 7383 1 15 . 1 1 77 77 THR H H 70 6.280 6.280 7.105 -0.825 17827 7384 1 15 . 1 1 78 78 TRP N N 71 127.244 127.244 119.954 7.290 17827 7385 1 15 . 1 1 78 78 TRP HA H 71 4.750 4.750 5.796 -1.046 17827 7386 1 15 . 1 1 78 78 TRP C C 71 177.303 177.303 175.885 1.418 17827 7387 1 15 . 1 1 78 78 TRP CA C 71 56.240 56.240 55.695 0.545 17827 7388 1 15 . 1 1 78 78 TRP CB C 71 30.500 30.500 32.744 -2.244 17827 7389 1 15 . 1 1 78 78 TRP H H 71 8.795 8.795 8.164 0.631 17827 7390 1 15 . 1 1 79 79 LEU N N 72 125.202 125.202 122.439 2.763 17827 7391 1 15 . 1 1 79 79 LEU HA H 72 4.500 4.500 4.774 -0.274 17827 7392 1 15 . 1 1 79 79 LEU C C 72 175.667 175.667 176.644 -0.977 17827 7393 1 15 . 1 1 79 79 LEU CA C 72 52.510 52.510 54.380 -1.871 17827 7394 1 15 . 1 1 79 79 LEU CB C 72 38.240 38.240 41.726 -3.486 17827 7395 1 15 . 1 1 79 79 LEU H H 72 9.175 9.175 8.380 0.795 17827 7396 1 15 . 1 1 80 80 LEU N N 73 119.170 119.170 124.926 -5.756 17827 7397 1 15 . 1 1 80 80 LEU HA H 73 4.380 4.380 4.533 -0.153 17827 7398 1 15 . 1 1 80 80 LEU C C 73 178.139 178.139 177.054 1.085 17827 7399 1 15 . 1 1 80 80 LEU CA C 73 54.700 54.700 55.085 -0.385 17827 7400 1 15 . 1 1 80 80 LEU CB C 73 42.170 42.170 42.170 -0.001 17827 7401 1 15 . 1 1 80 80 LEU H H 73 7.280 7.280 8.647 -1.367 17827 7402 1 15 . 1 1 81 81 LYS N N 74 119.766 119.766 118.998 0.768 17827 7403 1 15 . 1 1 81 81 LYS HA H 74 4.435 4.435 4.278 0.157 17827 7404 1 15 . 1 1 81 81 LYS C C 74 176.601 176.601 176.214 0.387 17827 7405 1 15 . 1 1 81 81 LYS CA C 74 54.660 54.660 56.782 -2.122 17827 7406 1 15 . 1 1 81 81 LYS CB C 74 28.540 28.540 32.640 -4.100 17827 7407 1 15 . 1 1 81 81 LYS H H 74 7.865 7.865 7.922 -0.057 17827 7408 1 15 . 1 1 82 82 THR N N 75 115.636 115.636 114.793 0.843 17827 7409 1 15 . 1 1 82 82 THR HA H 75 3.800 3.800 4.386 -0.586 17827 7410 1 15 . 1 1 82 82 THR C C 75 174.806 174.806 176.447 -1.641 17827 7411 1 15 . 1 1 82 82 THR CA C 75 64.650 64.650 64.163 0.487 17827 7412 1 15 . 1 1 82 82 THR CB C 75 68.260 68.260 69.133 -0.873 17827 7413 1 15 . 1 1 82 82 THR H H 75 7.910 7.910 8.438 -0.528 17827 7414 1 15 . 1 1 83 83 HIS N N 76 116.767 116.767 119.699 -2.932 17827 7415 1 15 . 1 1 83 83 HIS C C 76 176.370 176.370 176.592 -0.222 17827 7416 1 15 . 1 1 83 83 HIS CB C 76 30.210 30.210 29.606 0.604 17827 7417 1 15 . 1 1 83 83 HIS H H 76 8.965 8.965 8.531 0.434 17827 7418 1 15 . 1 1 84 84 TRP N N 77 123.905 123.905 121.350 2.555 17827 7419 1 15 . 1 1 84 84 TRP C C 77 175.584 175.584 176.705 -1.121 17827 7420 1 15 . 1 1 84 84 TRP CB C 77 30.390 30.390 27.227 3.163 17827 7421 1 15 . 1 1 84 84 TRP H H 77 7.635 7.635 8.762 -1.127 17827 7422 1 15 . 1 1 85 85 THR N N 78 108.440 108.440 113.677 -5.237 17827 7423 1 15 . 1 1 85 85 THR HA H 78 4.900 4.900 4.174 0.726 17827 7424 1 15 . 1 1 85 85 THR C C 78 175.691 175.691 176.033 -0.342 17827 7425 1 15 . 1 1 85 85 THR CA C 78 59.500 59.500 63.178 -3.678 17827 7426 1 15 . 1 1 85 85 THR CB C 78 70.600 70.600 69.638 0.962 17827 7427 1 15 . 1 1 85 85 THR H H 78 7.030 7.030 8.557 -1.527 17827 7428 1 15 . 1 1 86 86 LEU N N 79 119.766 119.766 122.150 -2.384 17827 7429 1 15 . 1 1 86 86 LEU HA H 79 4.040 4.040 4.021 0.019 17827 7430 1 15 . 1 1 86 86 LEU C C 79 179.734 179.734 179.070 0.664 17827 7431 1 15 . 1 1 86 86 LEU CA C 79 58.750 58.750 59.210 -0.460 17827 7432 1 15 . 1 1 86 86 LEU CB C 79 40.450 40.450 40.627 -0.177 17827 7433 1 15 . 1 1 86 86 LEU H H 79 8.045 8.045 8.814 -0.769 17827 7434 1 15 . 1 1 87 87 ASP N N 80 118.407 118.407 118.657 -0.250 17827 7435 1 15 . 1 1 87 87 ASP HA H 80 4.440 4.440 4.386 0.054 17827 7436 1 15 . 1 1 87 87 ASP C C 80 179.152 179.152 178.901 0.251 17827 7437 1 15 . 1 1 87 87 ASP CA C 80 57.320 57.320 57.076 0.244 17827 7438 1 15 . 1 1 87 87 ASP CB C 80 40.320 40.320 40.587 -0.268 17827 7439 1 15 . 1 1 87 87 ASP H H 80 8.935 8.935 8.735 0.200 17827 7440 1 15 . 1 1 88 88 LYS N N 81 123.300 123.300 120.051 3.249 17827 7441 1 15 . 1 1 88 88 LYS HA H 81 3.700 3.700 3.951 -0.251 17827 7442 1 15 . 1 1 88 88 LYS C C 81 178.721 178.721 178.305 0.416 17827 7443 1 15 . 1 1 88 88 LYS CA C 81 59.020 59.020 58.793 0.227 17827 7444 1 15 . 1 1 88 88 LYS CB C 81 31.640 31.640 32.009 -0.369 17827 7445 1 15 . 1 1 88 88 LYS H H 81 8.055 8.055 7.527 0.528 17827 7446 1 15 . 1 1 89 89 TYR N N 82 115.690 115.690 116.435 -0.745 17827 7447 1 15 . 1 1 89 89 TYR HA H 82 4.580 4.580 4.412 0.168 17827 7448 1 15 . 1 1 89 89 TYR C C 82 176.164 176.164 175.875 0.289 17827 7449 1 15 . 1 1 89 89 TYR CA C 82 61.750 61.750 59.773 1.978 17827 7450 1 15 . 1 1 89 89 TYR CB C 82 40.750 40.750 39.800 0.950 17827 7451 1 15 . 1 1 89 89 TYR H H 82 7.730 7.730 7.985 -0.255 17827 7452 1 15 . 1 1 90 90 GLY N N 83 108.212 108.212 106.295 1.917 17827 7453 1 15 . 1 1 90 90 GLY C C 83 174.555 174.555 174.485 0.070 17827 7454 1 15 . 1 1 90 90 GLY CA C 83 45.510 45.510 44.971 0.539 17827 7455 1 15 . 1 1 90 90 GLY H H 83 8.030 8.030 8.223 -0.193 17827 7456 1 15 . 1 1 91 91 ILE N N 84 122.960 122.960 120.452 2.508 17827 7457 1 15 . 1 1 91 91 ILE HA H 84 3.370 3.370 4.227 -0.857 17827 7458 1 15 . 1 1 91 91 ILE C C 84 173.611 173.611 174.835 -1.224 17827 7459 1 15 . 1 1 91 91 ILE CA C 84 61.700 61.700 60.988 0.712 17827 7460 1 15 . 1 1 91 91 ILE CB C 84 37.610 37.610 39.409 -1.799 17827 7461 1 15 . 1 1 91 91 ILE H H 84 7.850 7.850 7.945 -0.095 17827 7462 1 15 . 1 1 92 92 GLN N N 85 125.429 125.429 124.298 1.131 17827 7463 1 15 . 1 1 92 92 GLN HA H 85 3.880 3.880 3.739 0.141 17827 7464 1 15 . 1 1 92 92 GLN C C 85 174.756 174.756 175.076 -0.320 17827 7465 1 15 . 1 1 92 92 GLN CA C 85 53.720 53.720 54.740 -1.020 17827 7466 1 15 . 1 1 92 92 GLN CB C 85 31.150 31.150 30.756 0.394 17827 7467 1 15 . 1 1 92 92 GLN H H 85 7.700 7.700 8.127 -0.427 17827 7468 1 15 . 1 1 93 93 ALA N N 86 118.217 118.217 121.069 -2.852 17827 7469 1 15 . 1 1 93 93 ALA HA H 86 3.800 3.800 4.330 -0.530 17827 7470 1 15 . 1 1 93 93 ALA C C 86 177.201 177.201 177.441 -0.240 17827 7471 1 15 . 1 1 93 93 ALA CA C 86 54.080 54.080 53.500 0.580 17827 7472 1 15 . 1 1 93 93 ALA CB C 86 18.410 18.410 18.646 -0.236 17827 7473 1 15 . 1 1 93 93 ALA H H 86 6.886 6.886 8.144 -1.258 17827 7474 1 15 . 1 1 94 94 ASP N N 87 113.647 113.647 116.807 -3.160 17827 7475 1 15 . 1 1 94 94 ASP HA H 87 4.420 4.420 4.533 -0.113 17827 7476 1 15 . 1 1 94 94 ASP C C 87 176.218 176.218 175.131 1.087 17827 7477 1 15 . 1 1 94 94 ASP CA C 87 54.060 54.060 53.698 0.362 17827 7478 1 15 . 1 1 94 94 ASP CB C 87 39.600 39.600 40.900 -1.300 17827 7479 1 15 . 1 1 94 94 ASP H H 87 8.223 8.223 8.131 0.092 17827 7480 1 15 . 1 1 95 95 ALA N N 88 124.145 124.145 122.472 1.673 17827 7481 1 15 . 1 1 95 95 ALA HA H 88 4.306 4.306 4.532 -0.226 17827 7482 1 15 . 1 1 95 95 ALA C C 88 176.630 176.630 176.269 0.361 17827 7483 1 15 . 1 1 95 95 ALA CA C 88 53.320 53.320 51.410 1.910 17827 7484 1 15 . 1 1 95 95 ALA CB C 88 20.020 20.020 19.417 0.603 17827 7485 1 15 . 1 1 95 95 ALA H H 88 7.941 7.941 7.083 0.858 17827 7486 1 15 . 1 1 96 96 LYS N N 89 120.897 120.897 126.364 -5.467 17827 7487 1 15 . 1 1 96 96 LYS HA H 89 4.826 4.826 4.498 0.328 17827 7488 1 15 . 1 1 96 96 LYS C C 89 176.161 176.161 175.794 0.367 17827 7489 1 15 . 1 1 96 96 LYS CA C 89 54.736 54.736 54.921 -0.185 17827 7490 1 15 . 1 1 96 96 LYS CB C 89 32.390 32.390 31.884 0.506 17827 7491 1 15 . 1 1 96 96 LYS H H 89 8.500 8.500 8.464 0.036 17827 7492 1 15 . 1 1 97 97 LEU N N 90 122.960 122.960 123.582 -0.622 17827 7493 1 15 . 1 1 97 97 LEU HA H 90 5.075 5.075 3.953 1.122 17827 7494 1 15 . 1 1 97 97 LEU C C 90 176.394 176.394 177.113 -0.719 17827 7495 1 15 . 1 1 97 97 LEU CA C 90 53.060 53.060 54.764 -1.704 17827 7496 1 15 . 1 1 97 97 LEU CB C 90 44.850 44.850 42.519 2.331 17827 7497 1 15 . 1 1 97 97 LEU H H 90 8.566 8.566 8.475 0.091 17827 7498 1 15 . 1 1 98 98 GLN N N 91 119.538 119.538 115.534 4.004 17827 7499 1 15 . 1 1 98 98 GLN HA H 91 5.710 5.710 4.864 0.846 17827 7500 1 15 . 1 1 98 98 GLN C C 91 174.144 174.144 174.595 -0.451 17827 7501 1 15 . 1 1 98 98 GLN CA C 91 54.360 54.360 54.706 -0.346 17827 7502 1 15 . 1 1 98 98 GLN CB C 91 32.290 32.290 32.944 -0.654 17827 7503 1 15 . 1 1 98 98 GLN H H 91 9.060 9.060 8.011 1.049 17827 7504 1 15 . 1 1 99 99 PHE N N 92 125.674 125.674 119.746 5.928 17827 7505 1 15 . 1 1 99 99 PHE HA H 92 5.700 5.700 5.338 0.362 17827 7506 1 15 . 1 1 99 99 PHE C C 92 174.537 174.537 174.290 0.247 17827 7507 1 15 . 1 1 99 99 PHE CA C 92 54.190 54.190 55.937 -1.747 17827 7508 1 15 . 1 1 99 99 PHE CB C 92 41.080 41.080 43.501 -2.421 17827 7509 1 15 . 1 1 99 99 PHE H H 92 9.290 9.290 9.759 -0.469 17827 7510 1 15 . 1 1 100 100 THR N N 93 124.543 124.543 117.979 6.564 17827 7511 1 15 . 1 1 100 100 THR HA H 93 5.100 5.100 4.849 0.251 17827 7512 1 15 . 1 1 100 100 THR C C 93 180.164 180.164 171.794 8.370 17827 7513 1 15 . 1 1 100 100 THR CA C 93 58.830 58.830 59.878 -1.048 17827 7514 1 15 . 1 1 100 100 THR CB C 93 73.610 73.610 71.242 2.368 17827 7515 1 15 . 1 1 100 100 THR H H 93 8.945 8.945 9.743 -0.798 17827 7516 1 16 . 1 1 9 9 ALA N N 2 124.336 124.336 124.406 -0.070 17827 7517 1 16 . 1 1 9 9 ALA HA H 2 4.210 4.210 4.725 -0.515 17827 7518 1 16 . 1 1 9 9 ALA C C 2 177.598 177.598 175.587 2.011 17827 7519 1 16 . 1 1 9 9 ALA CA C 2 52.440 52.440 51.672 0.768 17827 7520 1 16 . 1 1 9 9 ALA CB C 2 19.030 19.030 20.127 -1.097 17827 7521 1 16 . 1 1 9 9 ALA H H 2 8.018 8.018 8.351 -0.333 17827 7522 1 16 . 1 1 10 10 LEU N N 3 121.125 121.125 122.071 -0.946 17827 7523 1 16 . 1 1 10 10 LEU HA H 3 4.210 4.210 4.626 -0.416 17827 7524 1 16 . 1 1 10 10 LEU C C 3 177.094 177.094 176.463 0.631 17827 7525 1 16 . 1 1 10 10 LEU CA C 3 55.320 55.320 55.045 0.275 17827 7526 1 16 . 1 1 10 10 LEU CB C 3 42.170 42.170 42.730 -0.560 17827 7527 1 16 . 1 1 10 10 LEU H H 3 8.057 8.057 8.316 -0.259 17827 7528 1 16 . 1 1 11 11 ASP N N 4 119.766 119.766 120.542 -0.776 17827 7529 1 16 . 1 1 11 11 ASP HA H 4 4.475 4.475 4.600 -0.125 17827 7530 1 16 . 1 1 11 11 ASP C C 4 176.509 176.509 176.439 0.070 17827 7531 1 16 . 1 1 11 11 ASP CA C 4 54.550 54.550 54.372 0.178 17827 7532 1 16 . 1 1 11 11 ASP CB C 4 40.950 40.950 41.697 -0.747 17827 7533 1 16 . 1 1 11 11 ASP H H 4 8.145 8.145 8.443 -0.298 17827 7534 1 16 . 1 1 12 12 GLY N N 5 108.440 108.440 107.927 0.513 17827 7535 1 16 . 1 1 12 12 GLY C C 5 173.692 173.692 174.584 -0.892 17827 7536 1 16 . 1 1 12 12 GLY CA C 5 45.310 45.310 44.928 0.382 17827 7537 1 16 . 1 1 12 12 GLY H H 5 8.110 8.110 8.250 -0.140 17827 7538 1 16 . 1 1 13 13 ILE N N 6 119.766 119.766 117.881 1.885 17827 7539 1 16 . 1 1 13 13 ILE HA H 6 4.100 4.100 3.712 0.388 17827 7540 1 16 . 1 1 13 13 ILE C C 6 175.525 175.525 176.230 -0.705 17827 7541 1 16 . 1 1 13 13 ILE CA C 6 60.710 60.710 62.422 -1.712 17827 7542 1 16 . 1 1 13 13 ILE CB C 6 38.430 38.430 37.702 0.728 17827 7543 1 16 . 1 1 13 13 ILE H H 6 7.790 7.790 8.380 -0.590 17827 7544 1 16 . 1 1 14 14 ARG N N 7 125.657 125.657 120.474 5.183 17827 7545 1 16 . 1 1 14 14 ARG HA H 7 4.210 4.210 4.321 -0.111 17827 7546 1 16 . 1 1 14 14 ARG C C 7 175.810 175.810 176.051 -0.241 17827 7547 1 16 . 1 1 14 14 ARG CA C 7 55.640 55.640 57.631 -1.991 17827 7548 1 16 . 1 1 14 14 ARG CB C 7 30.990 30.990 30.610 0.380 17827 7549 1 16 . 1 1 14 14 ARG H H 7 8.410 8.410 8.165 0.245 17827 7550 1 16 . 1 1 15 15 MET N N 8 123.598 123.598 115.439 8.159 17827 7551 1 16 . 1 1 15 15 MET HA H 8 4.210 4.210 5.028 -0.818 17827 7552 1 16 . 1 1 15 15 MET C C 8 174.950 174.950 174.795 0.155 17827 7553 1 16 . 1 1 15 15 MET CA C 8 55.330 55.330 52.809 2.522 17827 7554 1 16 . 1 1 15 15 MET CB C 8 31.730 31.730 32.100 -0.370 17827 7555 1 16 . 1 1 15 15 MET H H 8 8.495 8.495 7.553 0.942 17827 7556 1 16 . 1 1 16 16 PRO HA H 9 4.290 4.290 4.233 0.057 17827 7557 1 16 . 1 1 16 16 PRO C C 9 176.228 176.228 176.615 -0.387 17827 7558 1 16 . 1 1 16 16 PRO CA C 9 63.370 63.370 65.106 -1.736 17827 7559 1 16 . 1 1 16 16 PRO CB C 9 31.820 31.820 31.243 0.577 17827 7560 1 16 . 1 1 17 17 ASP N N 10 117.952 117.952 114.737 3.215 17827 7561 1 16 . 1 1 17 17 ASP HA H 10 4.420 4.420 4.515 -0.095 17827 7562 1 16 . 1 1 17 17 ASP C C 10 176.714 176.714 176.704 0.010 17827 7563 1 16 . 1 1 17 17 ASP CA C 10 54.130 54.130 54.293 -0.163 17827 7564 1 16 . 1 1 17 17 ASP CB C 10 40.430 40.430 40.460 -0.030 17827 7565 1 16 . 1 1 17 17 ASP H H 10 8.076 8.076 8.170 -0.094 17827 7566 1 16 . 1 1 18 18 GLY N N 11 108.663 108.663 105.709 2.954 17827 7567 1 16 . 1 1 18 18 GLY C C 11 173.819 173.819 175.096 -1.277 17827 7568 1 16 . 1 1 18 18 GLY CA C 11 45.300 45.300 45.281 0.020 17827 7569 1 16 . 1 1 18 18 GLY H H 11 8.255 8.255 7.653 0.602 17827 7570 1 16 . 1 1 19 19 CYS N N 12 118.179 118.179 120.485 -2.306 17827 7571 1 16 . 1 1 19 19 CYS HA H 12 4.550 4.550 4.361 0.189 17827 7572 1 16 . 1 1 19 19 CYS C C 12 174.073 174.073 175.138 -1.065 17827 7573 1 16 . 1 1 19 19 CYS CA C 12 58.420 58.420 61.215 -2.795 17827 7574 1 16 . 1 1 19 19 CYS CB C 12 28.400 28.400 27.892 0.507 17827 7575 1 16 . 1 1 19 19 CYS H H 12 7.850 7.850 8.383 -0.533 17827 7576 1 16 . 1 1 20 20 TYR N N 13 120.897 120.897 120.712 0.185 17827 7577 1 16 . 1 1 20 20 TYR HA H 13 4.550 4.550 4.498 0.052 17827 7578 1 16 . 1 1 20 20 TYR C C 13 176.748 176.748 174.497 2.251 17827 7579 1 16 . 1 1 20 20 TYR CA C 13 58.470 58.470 56.878 1.592 17827 7580 1 16 . 1 1 20 20 TYR CB C 13 39.210 39.210 37.324 1.887 17827 7581 1 16 . 1 1 20 20 TYR H H 13 8.550 8.550 8.380 0.170 17827 7582 1 16 . 1 1 21 21 ALA N N 14 124.750 124.750 124.724 0.026 17827 7583 1 16 . 1 1 21 21 ALA HA H 14 4.190 4.190 4.042 0.148 17827 7584 1 16 . 1 1 21 21 ALA C C 14 177.181 177.181 176.919 0.262 17827 7585 1 16 . 1 1 21 21 ALA CA C 14 53.530 53.530 53.127 0.403 17827 7586 1 16 . 1 1 21 21 ALA CB C 14 18.630 18.630 17.632 0.998 17827 7587 1 16 . 1 1 21 21 ALA H H 14 8.615 8.615 7.639 0.976 17827 7588 1 16 . 1 1 22 22 ASP N N 15 117.500 117.500 121.759 -4.259 17827 7589 1 16 . 1 1 22 22 ASP HA H 15 4.480 4.480 4.521 -0.041 17827 7590 1 16 . 1 1 22 22 ASP C C 15 176.708 176.708 176.589 0.119 17827 7591 1 16 . 1 1 22 22 ASP CA C 15 53.500 53.500 53.945 -0.445 17827 7592 1 16 . 1 1 22 22 ASP CB C 15 40.730 40.730 42.982 -2.252 17827 7593 1 16 . 1 1 22 22 ASP H H 15 7.960 7.960 7.803 0.157 17827 7594 1 16 . 1 1 23 23 GLY N N 16 108.891 108.891 110.129 -1.238 17827 7595 1 16 . 1 1 23 23 GLY C C 16 174.373 174.373 173.985 0.388 17827 7596 1 16 . 1 1 23 23 GLY CA C 16 45.370 45.370 45.326 0.044 17827 7597 1 16 . 1 1 23 23 GLY H H 16 8.344 8.344 8.440 -0.096 17827 7598 1 16 . 1 1 24 24 THR N N 17 110.929 110.929 114.350 -3.421 17827 7599 1 16 . 1 1 24 24 THR HA H 17 4.640 4.640 4.029 0.611 17827 7600 1 16 . 1 1 24 24 THR C C 17 173.620 173.620 173.763 -0.143 17827 7601 1 16 . 1 1 24 24 THR CA C 17 60.540 60.540 60.985 -0.445 17827 7602 1 16 . 1 1 24 24 THR CB C 17 72.100 72.100 69.505 2.595 17827 7603 1 16 . 1 1 24 24 THR H H 17 7.850 7.850 7.532 0.318 17827 7604 1 16 . 1 1 25 25 TRP N N 18 117.728 117.728 119.857 -2.129 17827 7605 1 16 . 1 1 25 25 TRP HA H 18 4.945 4.945 4.778 0.167 17827 7606 1 16 . 1 1 25 25 TRP C C 18 174.164 174.164 173.907 0.257 17827 7607 1 16 . 1 1 25 25 TRP CA C 18 54.620 54.620 56.599 -1.979 17827 7608 1 16 . 1 1 25 25 TRP CB C 18 30.650 30.650 29.314 1.336 17827 7609 1 16 . 1 1 25 25 TRP H H 18 8.640 8.640 7.362 1.278 17827 7610 1 16 . 1 1 26 26 GLU N N 19 117.728 117.728 119.345 -1.617 17827 7611 1 16 . 1 1 26 26 GLU HA H 19 4.851 4.851 4.881 -0.030 17827 7612 1 16 . 1 1 26 26 GLU C C 19 174.786 174.786 174.508 0.278 17827 7613 1 16 . 1 1 26 26 GLU CA C 19 55.710 55.710 54.878 0.832 17827 7614 1 16 . 1 1 26 26 GLU CB C 19 31.500 31.500 32.526 -1.026 17827 7615 1 16 . 1 1 26 26 GLU H H 19 8.744 8.744 8.506 0.238 17827 7616 1 16 . 1 1 27 27 LEU N N 20 126.668 126.668 119.207 7.461 17827 7617 1 16 . 1 1 27 27 LEU HA H 20 4.880 4.880 4.729 0.151 17827 7618 1 16 . 1 1 27 27 LEU C C 20 175.123 175.123 175.330 -0.207 17827 7619 1 16 . 1 1 27 27 LEU CA C 20 53.252 53.252 53.422 -0.170 17827 7620 1 16 . 1 1 27 27 LEU CB C 20 45.280 45.280 46.574 -1.294 17827 7621 1 16 . 1 1 27 27 LEU H H 20 8.980 8.980 8.793 0.187 17827 7622 1 16 . 1 1 28 28 SER N N 21 121.804 121.804 117.309 4.495 17827 7623 1 16 . 1 1 28 28 SER HA H 21 4.894 4.894 4.998 -0.104 17827 7624 1 16 . 1 1 28 28 SER C C 21 173.483 173.483 173.017 0.466 17827 7625 1 16 . 1 1 28 28 SER CA C 21 57.880 57.880 57.195 0.685 17827 7626 1 16 . 1 1 28 28 SER CB C 21 63.920 63.920 64.791 -0.871 17827 7627 1 16 . 1 1 28 28 SER H H 21 8.785 8.785 8.441 0.344 17827 7628 1 16 . 1 1 29 29 VAL N N 22 125.881 125.881 123.207 2.674 17827 7629 1 16 . 1 1 29 29 VAL HA H 22 4.370 4.370 4.347 0.023 17827 7630 1 16 . 1 1 29 29 VAL C C 22 173.953 173.953 174.762 -0.809 17827 7631 1 16 . 1 1 29 29 VAL CA C 22 60.440 60.440 60.072 0.368 17827 7632 1 16 . 1 1 29 29 VAL CB C 22 34.350 34.350 35.619 -1.269 17827 7633 1 16 . 1 1 29 29 VAL H H 22 8.865 8.865 8.343 0.522 17827 7634 1 16 . 1 1 30 30 HIS N N 23 126.560 126.560 123.593 2.967 17827 7635 1 16 . 1 1 30 30 HIS HA H 23 5.220 5.220 4.807 0.413 17827 7636 1 16 . 1 1 30 30 HIS C C 23 174.596 174.596 174.011 0.585 17827 7637 1 16 . 1 1 30 30 HIS CA C 23 55.250 55.250 55.353 -0.103 17827 7638 1 16 . 1 1 30 30 HIS CB C 23 30.550 30.550 32.633 -2.083 17827 7639 1 16 . 1 1 30 30 HIS H H 23 8.810 8.810 8.486 0.324 17827 7640 1 16 . 1 1 31 31 VAL N N 24 130.587 130.587 127.671 2.916 17827 7641 1 16 . 1 1 31 31 VAL HA H 24 5.230 5.230 4.645 0.585 17827 7642 1 16 . 1 1 31 31 VAL C C 24 177.426 177.426 176.508 0.918 17827 7643 1 16 . 1 1 31 31 VAL CA C 24 55.530 55.530 62.434 -6.904 17827 7644 1 16 . 1 1 31 31 VAL CB C 24 31.040 31.040 30.526 0.514 17827 7645 1 16 . 1 1 31 31 VAL H H 24 9.043 9.043 8.923 0.120 17827 7646 1 16 . 1 1 32 32 THR N N 25 122.484 122.484 122.772 -0.288 17827 7647 1 16 . 1 1 32 32 THR HA H 25 3.970 3.970 4.233 -0.263 17827 7648 1 16 . 1 1 32 32 THR C C 25 177.437 177.437 175.440 1.997 17827 7649 1 16 . 1 1 32 32 THR CA C 25 66.470 66.470 64.967 1.503 17827 7650 1 16 . 1 1 32 32 THR CB C 25 68.220 68.220 69.000 -0.780 17827 7651 1 16 . 1 1 32 32 THR H H 25 8.245 8.245 8.718 -0.473 17827 7652 1 16 . 1 1 34 34 VAL N N 27 114.090 114.090 115.463 -1.373 17827 7653 1 16 . 1 1 34 34 VAL HA H 27 4.500 4.500 4.177 0.323 17827 7654 1 16 . 1 1 34 34 VAL CA C 27 54.220 54.220 62.227 -8.007 17827 7655 1 16 . 1 1 34 34 VAL CB C 27 27.060 27.060 34.420 -7.360 17827 7656 1 16 . 1 1 34 34 VAL H H 27 6.977 6.977 7.170 -0.193 17827 7657 1 16 . 1 1 35 35 ASN N N 28 116.829 116.829 116.864 -0.035 17827 7658 1 16 . 1 1 35 35 ASN HA H 28 4.299 4.299 4.511 -0.212 17827 7659 1 16 . 1 1 35 35 ASN CA C 28 53.650 53.650 54.507 -0.857 17827 7660 1 16 . 1 1 35 35 ASN CB C 28 37.110 37.110 37.656 -0.546 17827 7661 1 16 . 1 1 35 35 ASN H H 28 7.897 7.897 8.123 -0.226 17827 7662 1 16 . 1 1 36 36 ARG N N 29 114.310 114.310 118.014 -3.704 17827 7663 1 16 . 1 1 36 36 ARG HA H 29 4.700 4.700 4.723 -0.023 17827 7664 1 16 . 1 1 36 36 ARG C C 29 173.347 173.347 174.189 -0.842 17827 7665 1 16 . 1 1 36 36 ARG CA C 29 54.900 54.900 54.760 0.140 17827 7666 1 16 . 1 1 36 36 ARG CB C 29 34.700 34.700 32.065 2.635 17827 7667 1 16 . 1 1 36 36 ARG H H 29 6.787 6.787 7.661 -0.874 17827 7668 1 16 . 1 1 37 37 ASP N N 30 124.071 124.071 118.042 6.029 17827 7669 1 16 . 1 1 37 37 ASP HA H 30 5.475 5.475 4.728 0.747 17827 7670 1 16 . 1 1 37 37 ASP C C 30 175.354 175.354 174.673 0.681 17827 7671 1 16 . 1 1 37 37 ASP CA C 30 53.660 53.660 53.425 0.235 17827 7672 1 16 . 1 1 37 37 ASP CB C 30 42.260 42.260 42.508 -0.248 17827 7673 1 16 . 1 1 37 37 ASP H H 30 8.760 8.760 8.471 0.289 17827 7674 1 16 . 1 1 38 38 VAL N N 31 123.300 123.300 118.885 4.415 17827 7675 1 16 . 1 1 38 38 VAL HA H 31 4.270 4.270 4.501 -0.231 17827 7676 1 16 . 1 1 38 38 VAL C C 31 174.203 174.203 174.263 -0.060 17827 7677 1 16 . 1 1 38 38 VAL CA C 31 60.700 60.700 59.776 0.923 17827 7678 1 16 . 1 1 38 38 VAL CB C 31 34.620 34.620 36.017 -1.397 17827 7679 1 16 . 1 1 38 38 VAL H H 31 9.187 9.187 7.902 1.285 17827 7680 1 16 . 1 1 39 39 THR N N 32 119.766 119.766 114.287 5.479 17827 7681 1 16 . 1 1 39 39 THR HA H 32 5.095 5.095 4.841 0.254 17827 7682 1 16 . 1 1 39 39 THR C C 32 173.547 173.547 173.043 0.504 17827 7683 1 16 . 1 1 39 39 THR CA C 32 60.550 60.550 60.193 0.357 17827 7684 1 16 . 1 1 39 39 THR CB C 32 70.170 70.170 70.822 -0.652 17827 7685 1 16 . 1 1 39 39 THR H H 32 8.360 8.360 8.123 0.237 17827 7686 1 16 . 1 1 40 40 LEU N N 33 124.522 124.522 122.277 2.245 17827 7687 1 16 . 1 1 40 40 LEU HA H 33 4.590 4.590 4.562 0.028 17827 7688 1 16 . 1 1 40 40 LEU C C 33 174.691 174.691 175.873 -1.182 17827 7689 1 16 . 1 1 40 40 LEU CA C 33 52.580 52.580 53.484 -0.904 17827 7690 1 16 . 1 1 40 40 LEU CB C 33 45.410 45.410 44.303 1.107 17827 7691 1 16 . 1 1 40 40 LEU H H 33 8.750 8.750 8.115 0.635 17827 7692 1 16 . 1 1 41 41 ARG N N 34 122.712 122.712 125.033 -2.321 17827 7693 1 16 . 1 1 41 41 ARG HA H 34 4.680 4.680 4.718 -0.038 17827 7694 1 16 . 1 1 41 41 ARG C C 34 175.700 175.700 174.612 1.088 17827 7695 1 16 . 1 1 41 41 ARG CA C 34 55.420 55.420 54.835 0.585 17827 7696 1 16 . 1 1 41 41 ARG CB C 34 29.500 29.500 29.637 -0.137 17827 7697 1 16 . 1 1 41 41 ARG H H 34 8.345 8.345 8.807 -0.462 17827 7698 1 16 . 1 1 42 42 VAL N N 35 117.728 117.728 119.185 -1.457 17827 7699 1 16 . 1 1 42 42 VAL HA H 35 4.465 4.465 4.505 -0.040 17827 7700 1 16 . 1 1 42 42 VAL C C 35 173.184 173.184 173.676 -0.492 17827 7701 1 16 . 1 1 42 42 VAL CA C 35 58.670 58.670 58.817 -0.147 17827 7702 1 16 . 1 1 42 42 VAL CB C 35 36.050 36.050 34.989 1.061 17827 7703 1 16 . 1 1 42 42 VAL H H 35 8.640 8.640 7.805 0.835 17827 7704 1 16 . 1 1 43 43 THR N N 36 104.359 104.359 108.767 -4.408 17827 7705 1 16 . 1 1 43 43 THR HA H 36 4.660 4.660 2.573 2.087 17827 7706 1 16 . 1 1 43 43 THR C C 36 174.862 174.862 175.262 -0.400 17827 7707 1 16 . 1 1 43 43 THR CA C 36 59.010 59.010 59.179 -0.169 17827 7708 1 16 . 1 1 43 43 THR CB C 36 71.570 71.570 71.032 0.538 17827 7709 1 16 . 1 1 43 43 THR H H 36 6.220 6.220 7.887 -1.667 17827 7710 1 16 . 1 1 44 44 GLY N N 37 105.946 105.946 106.808 -0.862 17827 7711 1 16 . 1 1 44 44 GLY C C 37 173.394 173.394 174.491 -1.097 17827 7712 1 16 . 1 1 44 44 GLY CA C 37 46.830 46.830 46.732 0.098 17827 7713 1 16 . 1 1 44 44 GLY H H 37 9.160 9.160 8.749 0.411 17827 7714 1 16 . 1 1 45 45 GLU N N 38 113.875 113.875 118.064 -4.189 17827 7715 1 16 . 1 1 45 45 GLU HA H 38 4.290 4.290 4.415 -0.125 17827 7716 1 16 . 1 1 45 45 GLU C C 38 176.167 176.167 176.838 -0.671 17827 7717 1 16 . 1 1 45 45 GLU CA C 38 55.500 55.500 56.037 -0.537 17827 7718 1 16 . 1 1 45 45 GLU CB C 38 30.950 30.950 29.837 1.113 17827 7719 1 16 . 1 1 45 45 GLU H H 38 7.500 7.500 7.330 0.170 17827 7720 1 16 . 1 1 46 46 VAL N N 39 121.577 121.577 122.109 -0.532 17827 7721 1 16 . 1 1 46 46 VAL HA H 39 3.820 3.820 4.046 -0.226 17827 7722 1 16 . 1 1 46 46 VAL C C 39 174.651 174.651 175.223 -0.572 17827 7723 1 16 . 1 1 46 46 VAL CA C 39 63.920 63.920 61.980 1.940 17827 7724 1 16 . 1 1 46 46 VAL CB C 39 31.590 31.590 32.758 -1.168 17827 7725 1 16 . 1 1 46 46 VAL H H 39 7.260 7.260 7.505 -0.245 17827 7726 1 16 . 1 1 47 47 HIS N N 40 123.391 123.391 125.279 -1.888 17827 7727 1 16 . 1 1 47 47 HIS HA H 40 5.212 5.212 4.608 0.604 17827 7728 1 16 . 1 1 47 47 HIS C C 40 177.440 177.440 176.423 1.017 17827 7729 1 16 . 1 1 47 47 HIS CA C 40 54.660 54.660 56.216 -1.556 17827 7730 1 16 . 1 1 47 47 HIS CB C 40 30.910 30.910 31.374 -0.464 17827 7731 1 16 . 1 1 47 47 HIS H H 40 8.285 8.285 8.522 -0.237 17827 7732 1 16 . 1 1 48 48 ILE N N 41 124.071 124.071 124.432 -0.361 17827 7733 1 16 . 1 1 48 48 ILE HA H 41 3.530 3.530 3.803 -0.273 17827 7734 1 16 . 1 1 48 48 ILE C C 41 178.941 178.941 177.698 1.243 17827 7735 1 16 . 1 1 48 48 ILE CA C 41 62.330 62.330 65.410 -3.080 17827 7736 1 16 . 1 1 48 48 ILE CB C 41 34.230 34.230 37.893 -3.663 17827 7737 1 16 . 1 1 48 48 ILE H H 41 8.863 8.863 8.399 0.464 17827 7738 1 16 . 1 1 49 49 GLY N N 42 106.853 106.853 104.677 2.176 17827 7739 1 16 . 1 1 49 49 GLY C C 42 175.669 175.669 175.511 0.158 17827 7740 1 16 . 1 1 49 49 GLY CA C 42 45.320 45.320 46.360 -1.040 17827 7741 1 16 . 1 1 49 49 GLY H H 42 9.720 9.720 8.733 0.987 17827 7742 1 16 . 1 1 50 50 GLY N N 43 109.571 109.571 109.194 0.377 17827 7743 1 16 . 1 1 50 50 GLY C C 43 175.847 175.847 175.297 0.550 17827 7744 1 16 . 1 1 50 50 GLY CA C 43 47.000 47.000 45.516 1.484 17827 7745 1 16 . 1 1 50 50 GLY H H 43 6.950 6.950 8.289 -1.339 17827 7746 1 16 . 1 1 51 51 VAL N N 44 123.163 123.163 124.598 -1.435 17827 7747 1 16 . 1 1 51 51 VAL HA H 44 3.115 3.115 3.572 -0.457 17827 7748 1 16 . 1 1 51 51 VAL C C 44 176.804 176.804 177.800 -0.996 17827 7749 1 16 . 1 1 51 51 VAL CA C 44 66.660 66.660 67.074 -0.414 17827 7750 1 16 . 1 1 51 51 VAL CB C 44 30.730 30.730 32.102 -1.372 17827 7751 1 16 . 1 1 51 51 VAL H H 44 7.860 7.860 8.545 -0.685 17827 7752 1 16 . 1 1 52 52 MET N N 45 115.913 115.913 117.669 -1.756 17827 7753 1 16 . 1 1 52 52 MET HA H 45 3.410 3.410 4.158 -0.748 17827 7754 1 16 . 1 1 52 52 MET C C 45 176.881 176.881 178.090 -1.209 17827 7755 1 16 . 1 1 52 52 MET CA C 45 59.830 59.830 59.531 0.299 17827 7756 1 16 . 1 1 52 52 MET CB C 45 32.310 32.310 31.672 0.638 17827 7757 1 16 . 1 1 52 52 MET H H 45 7.940 7.940 7.827 0.113 17827 7758 1 16 . 1 1 53 53 LEU N N 46 118.291 118.291 121.402 -3.111 17827 7759 1 16 . 1 1 53 53 LEU HA H 46 3.940 3.940 4.093 -0.153 17827 7760 1 16 . 1 1 53 53 LEU C C 46 179.178 179.178 179.325 -0.147 17827 7761 1 16 . 1 1 53 53 LEU CA C 46 58.500 58.500 58.167 0.333 17827 7762 1 16 . 1 1 53 53 LEU CB C 46 41.930 41.930 41.240 0.690 17827 7763 1 16 . 1 1 53 53 LEU H H 46 7.550 7.550 7.706 -0.156 17827 7764 1 16 . 1 1 54 54 LYS N N 47 118.142 118.142 119.425 -1.283 17827 7765 1 16 . 1 1 54 54 LYS HA H 47 3.870 3.870 4.260 -0.390 17827 7766 1 16 . 1 1 54 54 LYS C C 47 178.616 178.616 179.308 -0.692 17827 7767 1 16 . 1 1 54 54 LYS CA C 47 57.980 57.980 59.160 -1.180 17827 7768 1 16 . 1 1 54 54 LYS CB C 47 32.320 32.320 32.102 0.218 17827 7769 1 16 . 1 1 54 54 LYS H H 47 7.665 7.665 8.648 -0.983 17827 7770 1 16 . 1 1 55 55 LEU N N 48 119.385 119.385 120.622 -1.237 17827 7771 1 16 . 1 1 55 55 LEU HA H 48 3.570 3.570 4.246 -0.676 17827 7772 1 16 . 1 1 55 55 LEU C C 48 177.405 177.405 177.747 -0.342 17827 7773 1 16 . 1 1 55 55 LEU CA C 48 57.790 57.790 57.741 0.049 17827 7774 1 16 . 1 1 55 55 LEU CB C 48 41.590 41.590 42.070 -0.480 17827 7775 1 16 . 1 1 55 55 LEU H H 48 7.975 7.975 7.799 0.176 17827 7776 1 16 . 1 1 56 56 VAL N N 49 116.141 116.141 119.020 -2.879 17827 7777 1 16 . 1 1 56 56 VAL HA H 49 2.990 2.990 3.515 -0.525 17827 7778 1 16 . 1 1 56 56 VAL C C 49 178.564 178.564 177.385 1.179 17827 7779 1 16 . 1 1 56 56 VAL CA C 49 66.310 66.310 66.532 -0.222 17827 7780 1 16 . 1 1 56 56 VAL CB C 49 31.300 31.300 31.789 -0.489 17827 7781 1 16 . 1 1 56 56 VAL H H 49 7.615 7.615 8.847 -1.232 17827 7782 1 16 . 1 1 57 57 GLU N N 50 118.631 118.631 116.957 1.674 17827 7783 1 16 . 1 1 57 57 GLU HA H 50 3.965 3.965 4.163 -0.198 17827 7784 1 16 . 1 1 57 57 GLU C C 50 178.030 178.030 178.594 -0.564 17827 7785 1 16 . 1 1 57 57 GLU CA C 50 58.500 58.500 58.527 -0.027 17827 7786 1 16 . 1 1 57 57 GLU CB C 50 29.610 29.610 29.745 -0.135 17827 7787 1 16 . 1 1 57 57 GLU H H 50 7.575 7.575 8.649 -1.074 17827 7788 1 16 . 1 1 58 58 LYS N N 51 117.053 117.053 118.477 -1.424 17827 7789 1 16 . 1 1 58 58 LYS HA H 51 4.130 4.130 4.090 0.040 17827 7790 1 16 . 1 1 58 58 LYS C C 51 176.956 176.956 177.415 -0.459 17827 7791 1 16 . 1 1 58 58 LYS CA C 51 56.660 56.660 58.753 -2.093 17827 7792 1 16 . 1 1 58 58 LYS CB C 51 32.660 32.660 33.339 -0.679 17827 7793 1 16 . 1 1 58 58 LYS H H 51 7.490 7.490 7.545 -0.055 17827 7794 1 16 . 1 1 59 59 LEU N N 52 119.460 119.460 115.452 4.008 17827 7795 1 16 . 1 1 59 59 LEU HA H 52 4.122 4.122 4.679 -0.557 17827 7796 1 16 . 1 1 59 59 LEU C C 52 176.645 176.645 175.902 0.743 17827 7797 1 16 . 1 1 59 59 LEU CA C 52 56.660 56.660 53.791 2.869 17827 7798 1 16 . 1 1 59 59 LEU CB C 52 42.700 42.700 43.186 -0.486 17827 7799 1 16 . 1 1 59 59 LEU H H 52 7.470 7.470 7.876 -0.406 17827 7800 1 16 . 1 1 62 62 LYS C C 55 175.670 175.670 175.674 -0.004 17827 7801 1 16 . 1 1 63 63 LYS N N 56 122.430 122.430 120.822 1.608 17827 7802 1 16 . 1 1 63 63 LYS HA H 56 4.030 4.030 4.270 -0.240 17827 7803 1 16 . 1 1 63 63 LYS C C 56 172.850 172.850 175.037 -2.187 17827 7804 1 16 . 1 1 63 63 LYS CA C 56 54.530 54.530 56.200 -1.670 17827 7805 1 16 . 1 1 63 63 LYS CB C 56 34.440 34.440 33.156 1.284 17827 7806 1 16 . 1 1 63 63 LYS H H 56 7.245 7.245 7.744 -0.499 17827 7807 1 16 . 1 1 64 64 ASP N N 57 118.867 118.867 118.344 0.523 17827 7808 1 16 . 1 1 64 64 ASP HA H 57 4.530 4.530 4.716 -0.186 17827 7809 1 16 . 1 1 64 64 ASP C C 57 176.710 176.710 174.524 2.186 17827 7810 1 16 . 1 1 64 64 ASP CA C 57 52.500 52.500 53.163 -0.662 17827 7811 1 16 . 1 1 64 64 ASP CB C 57 40.320 40.320 42.960 -2.640 17827 7812 1 16 . 1 1 64 64 ASP H H 57 7.867 7.867 8.405 -0.538 17827 7813 1 16 . 1 1 65 65 TRP N N 58 128.827 128.827 121.185 7.642 17827 7814 1 16 . 1 1 65 65 TRP HA H 58 4.540 4.540 4.172 0.368 17827 7815 1 16 . 1 1 65 65 TRP C C 58 178.390 178.390 177.852 0.538 17827 7816 1 16 . 1 1 65 65 TRP CA C 58 52.860 52.860 58.014 -5.154 17827 7817 1 16 . 1 1 65 65 TRP CB C 58 29.420 29.420 29.467 -0.047 17827 7818 1 16 . 1 1 65 65 TRP H H 58 8.790 8.790 8.515 0.275 17827 7819 1 16 . 1 1 66 66 SER N N 59 117.724 117.724 114.592 3.132 17827 7820 1 16 . 1 1 66 66 SER HA H 59 4.143 4.143 4.272 -0.129 17827 7821 1 16 . 1 1 66 66 SER C C 59 174.471 174.471 174.446 0.025 17827 7822 1 16 . 1 1 66 66 SER CA C 59 62.350 62.350 60.530 1.820 17827 7823 1 16 . 1 1 66 66 SER CB C 59 63.110 63.110 62.740 0.370 17827 7824 1 16 . 1 1 66 66 SER H H 59 8.637 8.637 8.325 0.312 17827 7825 1 16 . 1 1 67 67 ASP N N 60 121.042 121.042 120.122 0.920 17827 7826 1 16 . 1 1 67 67 ASP C C 60 176.206 176.206 175.404 0.802 17827 7827 1 16 . 1 1 67 67 ASP CB C 60 42.560 42.560 41.785 0.775 17827 7828 1 16 . 1 1 67 67 ASP H H 60 8.895 8.895 7.911 0.984 17827 7829 1 16 . 1 1 68 68 HIS N N 61 121.519 121.519 118.179 3.340 17827 7830 1 16 . 1 1 68 68 HIS HA H 61 4.490 4.490 4.373 0.117 17827 7831 1 16 . 1 1 68 68 HIS C C 61 174.546 174.546 174.191 0.355 17827 7832 1 16 . 1 1 68 68 HIS CA C 61 57.940 57.940 54.301 3.639 17827 7833 1 16 . 1 1 68 68 HIS CB C 61 39.410 39.410 29.956 9.454 17827 7834 1 16 . 1 1 68 68 HIS H H 61 7.958 7.958 7.483 0.475 17827 7835 1 16 . 1 1 69 69 ALA N N 62 122.256 122.256 119.225 3.031 17827 7836 1 16 . 1 1 69 69 ALA C C 62 175.294 175.294 174.596 0.698 17827 7837 1 16 . 1 1 69 69 ALA CB C 62 22.470 22.470 22.301 0.169 17827 7838 1 16 . 1 1 69 69 ALA H H 62 8.575 8.575 8.261 0.314 17827 7839 1 16 . 1 1 70 70 LEU N N 63 118.904 118.904 120.665 -1.761 17827 7840 1 16 . 1 1 70 70 LEU HA H 63 5.654 5.654 4.836 0.818 17827 7841 1 16 . 1 1 70 70 LEU C C 63 174.445 174.445 176.483 -2.038 17827 7842 1 16 . 1 1 70 70 LEU CA C 63 53.930 53.930 53.074 0.856 17827 7843 1 16 . 1 1 70 70 LEU CB C 63 44.300 44.300 42.072 2.228 17827 7844 1 16 . 1 1 70 70 LEU H H 63 9.150 9.150 8.666 0.484 17827 7845 1 16 . 1 1 71 71 TRP N N 64 125.367 125.367 126.975 -1.608 17827 7846 1 16 . 1 1 71 71 TRP C C 64 174.010 174.010 174.783 -0.773 17827 7847 1 16 . 1 1 71 71 TRP CB C 64 32.210 32.210 30.335 1.875 17827 7848 1 16 . 1 1 71 71 TRP H H 64 9.590 9.590 8.552 1.038 17827 7849 1 16 . 1 1 72 72 TRP N N 65 129.982 129.982 129.992 -0.010 17827 7850 1 16 . 1 1 72 72 TRP HA H 65 4.980 4.980 4.526 0.454 17827 7851 1 16 . 1 1 72 72 TRP C C 65 174.335 174.335 175.872 -1.537 17827 7852 1 16 . 1 1 72 72 TRP CA C 65 51.440 51.440 55.572 -4.132 17827 7853 1 16 . 1 1 72 72 TRP CB C 65 30.490 30.490 30.092 0.398 17827 7854 1 16 . 1 1 72 72 TRP H H 65 8.277 8.277 8.324 -0.047 17827 7855 1 16 . 1 1 73 73 GLU N N 66 129.112 129.112 126.405 2.707 17827 7856 1 16 . 1 1 73 73 GLU HA H 66 3.300 3.300 3.656 -0.356 17827 7857 1 16 . 1 1 73 73 GLU C C 66 178.595 178.595 176.494 2.101 17827 7858 1 16 . 1 1 73 73 GLU CA C 66 59.920 59.920 58.672 1.248 17827 7859 1 16 . 1 1 73 73 GLU CB C 66 29.060 29.060 28.928 0.132 17827 7860 1 16 . 1 1 73 73 GLU H H 66 8.969 8.969 8.748 0.221 17827 7861 1 16 . 1 1 74 74 LYS N N 67 117.492 117.492 118.726 -1.234 17827 7862 1 16 . 1 1 74 74 LYS HA H 67 3.702 3.702 3.620 0.082 17827 7863 1 16 . 1 1 74 74 LYS C C 67 176.361 176.361 177.017 -0.656 17827 7864 1 16 . 1 1 74 74 LYS CA C 67 58.660 58.660 58.114 0.546 17827 7865 1 16 . 1 1 74 74 LYS CB C 67 32.020 32.020 31.147 0.873 17827 7866 1 16 . 1 1 74 74 LYS H H 67 7.860 7.860 7.878 -0.018 17827 7867 1 16 . 1 1 75 75 LYS N N 68 121.233 121.233 115.320 5.913 17827 7868 1 16 . 1 1 75 75 LYS HA H 68 3.935 3.935 3.997 -0.062 17827 7869 1 16 . 1 1 75 75 LYS C C 68 174.183 174.183 175.721 -1.538 17827 7870 1 16 . 1 1 75 75 LYS CA C 68 53.400 53.400 55.510 -2.110 17827 7871 1 16 . 1 1 75 75 LYS CB C 68 32.200 32.200 33.238 -1.038 17827 7872 1 16 . 1 1 75 75 LYS H H 68 7.500 7.500 6.677 0.823 17827 7873 1 16 . 1 1 76 76 ARG N N 69 121.125 121.125 115.835 5.290 17827 7874 1 16 . 1 1 76 76 ARG HA H 69 2.890 2.890 2.860 0.030 17827 7875 1 16 . 1 1 76 76 ARG C C 69 173.984 173.984 174.046 -0.062 17827 7876 1 16 . 1 1 76 76 ARG CA C 69 56.316 56.316 55.780 0.536 17827 7877 1 16 . 1 1 76 76 ARG CB C 69 27.090 27.090 25.804 1.286 17827 7878 1 16 . 1 1 76 76 ARG H H 69 7.500 7.500 7.949 -0.449 17827 7879 1 16 . 1 1 77 77 THR N N 70 110.478 110.478 112.674 -2.196 17827 7880 1 16 . 1 1 77 77 THR HA H 70 4.650 4.650 3.627 1.023 17827 7881 1 16 . 1 1 77 77 THR C C 70 171.846 171.846 172.763 -0.917 17827 7882 1 16 . 1 1 77 77 THR CA C 70 61.630 61.630 60.271 1.359 17827 7883 1 16 . 1 1 77 77 THR CB C 70 72.210 72.210 70.806 1.403 17827 7884 1 16 . 1 1 77 77 THR H H 70 6.280 6.280 7.009 -0.729 17827 7885 1 16 . 1 1 78 78 TRP N N 71 127.244 127.244 125.805 1.439 17827 7886 1 16 . 1 1 78 78 TRP HA H 71 4.750 4.750 5.338 -0.588 17827 7887 1 16 . 1 1 78 78 TRP C C 71 177.303 177.303 176.528 0.775 17827 7888 1 16 . 1 1 78 78 TRP CA C 71 56.240 56.240 56.286 -0.046 17827 7889 1 16 . 1 1 78 78 TRP CB C 71 30.500 30.500 30.216 0.284 17827 7890 1 16 . 1 1 78 78 TRP H H 71 8.795 8.795 8.011 0.784 17827 7891 1 16 . 1 1 79 79 LEU N N 72 125.202 125.202 122.193 3.009 17827 7892 1 16 . 1 1 79 79 LEU HA H 72 4.500 4.500 4.704 -0.204 17827 7893 1 16 . 1 1 79 79 LEU C C 72 175.667 175.667 176.662 -0.995 17827 7894 1 16 . 1 1 79 79 LEU CA C 72 52.510 52.510 54.214 -1.704 17827 7895 1 16 . 1 1 79 79 LEU CB C 72 38.240 38.240 40.764 -2.524 17827 7896 1 16 . 1 1 79 79 LEU H H 72 9.175 9.175 8.209 0.966 17827 7897 1 16 . 1 1 80 80 LEU N N 73 119.170 119.170 123.526 -4.356 17827 7898 1 16 . 1 1 80 80 LEU HA H 73 4.380 4.380 4.501 -0.121 17827 7899 1 16 . 1 1 80 80 LEU C C 73 178.139 178.139 176.989 1.150 17827 7900 1 16 . 1 1 80 80 LEU CA C 73 54.700 54.700 55.603 -0.903 17827 7901 1 16 . 1 1 80 80 LEU CB C 73 42.170 42.170 42.829 -0.659 17827 7902 1 16 . 1 1 80 80 LEU H H 73 7.280 7.280 8.298 -1.018 17827 7903 1 16 . 1 1 81 81 LYS N N 74 119.766 119.766 118.249 1.517 17827 7904 1 16 . 1 1 81 81 LYS HA H 74 4.435 4.435 4.366 0.069 17827 7905 1 16 . 1 1 81 81 LYS C C 74 176.601 176.601 177.127 -0.526 17827 7906 1 16 . 1 1 81 81 LYS CA C 74 54.660 54.660 56.631 -1.971 17827 7907 1 16 . 1 1 81 81 LYS CB C 74 28.540 28.540 33.542 -5.002 17827 7908 1 16 . 1 1 81 81 LYS H H 74 7.865 7.865 7.785 0.080 17827 7909 1 16 . 1 1 82 82 THR N N 75 115.636 115.636 114.472 1.164 17827 7910 1 16 . 1 1 82 82 THR HA H 75 3.800 3.800 4.329 -0.529 17827 7911 1 16 . 1 1 82 82 THR C C 75 174.806 174.806 175.282 -0.476 17827 7912 1 16 . 1 1 82 82 THR CA C 75 64.650 64.650 64.278 0.372 17827 7913 1 16 . 1 1 82 82 THR CB C 75 68.260 68.260 68.907 -0.647 17827 7914 1 16 . 1 1 82 82 THR H H 75 7.910 7.910 8.743 -0.833 17827 7915 1 16 . 1 1 83 83 HIS N N 76 116.767 116.767 118.447 -1.680 17827 7916 1 16 . 1 1 83 83 HIS C C 76 176.370 176.370 174.937 1.433 17827 7917 1 16 . 1 1 83 83 HIS CB C 76 30.210 30.210 29.369 0.841 17827 7918 1 16 . 1 1 83 83 HIS H H 76 8.965 8.965 8.285 0.680 17827 7919 1 16 . 1 1 84 84 TRP N N 77 123.905 123.905 119.414 4.491 17827 7920 1 16 . 1 1 84 84 TRP C C 77 175.584 175.584 175.142 0.442 17827 7921 1 16 . 1 1 84 84 TRP CB C 77 30.390 30.390 28.890 1.500 17827 7922 1 16 . 1 1 84 84 TRP H H 77 7.635 7.635 7.409 0.226 17827 7923 1 16 . 1 1 85 85 THR N N 78 108.440 108.440 115.170 -6.730 17827 7924 1 16 . 1 1 85 85 THR HA H 78 4.900 4.900 4.118 0.782 17827 7925 1 16 . 1 1 85 85 THR C C 78 175.691 175.691 176.141 -0.450 17827 7926 1 16 . 1 1 85 85 THR CA C 78 59.500 59.500 63.726 -4.226 17827 7927 1 16 . 1 1 85 85 THR CB C 78 70.600 70.600 69.577 1.023 17827 7928 1 16 . 1 1 85 85 THR H H 78 7.030 7.030 7.540 -0.510 17827 7929 1 16 . 1 1 86 86 LEU N N 79 119.766 119.766 120.615 -0.849 17827 7930 1 16 . 1 1 86 86 LEU HA H 79 4.040 4.040 4.240 -0.200 17827 7931 1 16 . 1 1 86 86 LEU C C 79 179.734 179.734 179.128 0.606 17827 7932 1 16 . 1 1 86 86 LEU CA C 79 58.750 58.750 58.349 0.401 17827 7933 1 16 . 1 1 86 86 LEU CB C 79 40.450 40.450 40.028 0.422 17827 7934 1 16 . 1 1 86 86 LEU H H 79 8.045 8.045 8.971 -0.926 17827 7935 1 16 . 1 1 87 87 ASP N N 80 118.407 118.407 119.388 -0.981 17827 7936 1 16 . 1 1 87 87 ASP HA H 80 4.440 4.440 4.393 0.047 17827 7937 1 16 . 1 1 87 87 ASP C C 80 179.152 179.152 178.317 0.835 17827 7938 1 16 . 1 1 87 87 ASP CA C 80 57.320 57.320 57.108 0.212 17827 7939 1 16 . 1 1 87 87 ASP CB C 80 40.320 40.320 40.526 -0.206 17827 7940 1 16 . 1 1 87 87 ASP H H 80 8.935 8.935 8.789 0.146 17827 7941 1 16 . 1 1 88 88 LYS N N 81 123.300 123.300 119.233 4.067 17827 7942 1 16 . 1 1 88 88 LYS HA H 81 3.700 3.700 3.901 -0.201 17827 7943 1 16 . 1 1 88 88 LYS C C 81 178.721 178.721 179.401 -0.680 17827 7944 1 16 . 1 1 88 88 LYS CA C 81 59.020 59.020 59.050 -0.030 17827 7945 1 16 . 1 1 88 88 LYS CB C 81 31.640 31.640 31.905 -0.265 17827 7946 1 16 . 1 1 88 88 LYS H H 81 8.055 8.055 8.324 -0.269 17827 7947 1 16 . 1 1 89 89 TYR N N 82 115.690 115.690 116.960 -1.270 17827 7948 1 16 . 1 1 89 89 TYR HA H 82 4.580 4.580 4.581 -0.001 17827 7949 1 16 . 1 1 89 89 TYR C C 82 176.164 176.164 176.690 -0.526 17827 7950 1 16 . 1 1 89 89 TYR CA C 82 61.750 61.750 59.750 2.000 17827 7951 1 16 . 1 1 89 89 TYR CB C 82 40.750 40.750 39.296 1.454 17827 7952 1 16 . 1 1 89 89 TYR H H 82 7.730 7.730 7.595 0.135 17827 7953 1 16 . 1 1 90 90 GLY N N 83 108.212 108.212 106.796 1.416 17827 7954 1 16 . 1 1 90 90 GLY C C 83 174.555 174.555 174.415 0.140 17827 7955 1 16 . 1 1 90 90 GLY CA C 83 45.510 45.510 44.925 0.585 17827 7956 1 16 . 1 1 90 90 GLY H H 83 8.030 8.030 7.893 0.137 17827 7957 1 16 . 1 1 91 91 ILE N N 84 122.960 122.960 120.339 2.621 17827 7958 1 16 . 1 1 91 91 ILE HA H 84 3.370 3.370 4.244 -0.874 17827 7959 1 16 . 1 1 91 91 ILE C C 84 173.611 173.611 175.127 -1.516 17827 7960 1 16 . 1 1 91 91 ILE CA C 84 61.700 61.700 61.009 0.691 17827 7961 1 16 . 1 1 91 91 ILE CB C 84 37.610 37.610 39.447 -1.837 17827 7962 1 16 . 1 1 91 91 ILE H H 84 7.850 7.850 8.033 -0.183 17827 7963 1 16 . 1 1 92 92 GLN N N 85 125.429 125.429 123.490 1.939 17827 7964 1 16 . 1 1 92 92 GLN HA H 85 3.880 3.880 3.998 -0.118 17827 7965 1 16 . 1 1 92 92 GLN C C 85 174.756 174.756 175.923 -1.167 17827 7966 1 16 . 1 1 92 92 GLN CA C 85 53.720 53.720 54.865 -1.145 17827 7967 1 16 . 1 1 92 92 GLN CB C 85 31.150 31.150 31.447 -0.297 17827 7968 1 16 . 1 1 92 92 GLN H H 85 7.700 7.700 8.383 -0.683 17827 7969 1 16 . 1 1 93 93 ALA N N 86 118.217 118.217 121.201 -2.984 17827 7970 1 16 . 1 1 93 93 ALA HA H 86 3.800 3.800 4.094 -0.294 17827 7971 1 16 . 1 1 93 93 ALA C C 86 177.201 177.201 177.188 0.013 17827 7972 1 16 . 1 1 93 93 ALA CA C 86 54.080 54.080 53.058 1.022 17827 7973 1 16 . 1 1 93 93 ALA CB C 86 18.410 18.410 18.658 -0.248 17827 7974 1 16 . 1 1 93 93 ALA H H 86 6.886 6.886 8.066 -1.180 17827 7975 1 16 . 1 1 94 94 ASP N N 87 113.647 113.647 116.639 -2.992 17827 7976 1 16 . 1 1 94 94 ASP HA H 87 4.420 4.420 4.529 -0.109 17827 7977 1 16 . 1 1 94 94 ASP C C 87 176.218 176.218 175.104 1.114 17827 7978 1 16 . 1 1 94 94 ASP CA C 87 54.060 54.060 53.622 0.438 17827 7979 1 16 . 1 1 94 94 ASP CB C 87 39.600 39.600 40.973 -1.373 17827 7980 1 16 . 1 1 94 94 ASP H H 87 8.223 8.223 8.045 0.178 17827 7981 1 16 . 1 1 95 95 ALA N N 88 124.145 124.145 122.530 1.615 17827 7982 1 16 . 1 1 95 95 ALA HA H 88 4.306 4.306 4.660 -0.354 17827 7983 1 16 . 1 1 95 95 ALA C C 88 176.630 176.630 176.513 0.117 17827 7984 1 16 . 1 1 95 95 ALA CA C 88 53.320 53.320 51.629 1.692 17827 7985 1 16 . 1 1 95 95 ALA CB C 88 20.020 20.020 19.713 0.307 17827 7986 1 16 . 1 1 95 95 ALA H H 88 7.941 7.941 7.102 0.839 17827 7987 1 16 . 1 1 96 96 LYS N N 89 120.897 120.897 126.227 -5.330 17827 7988 1 16 . 1 1 96 96 LYS HA H 89 4.826 4.826 4.752 0.074 17827 7989 1 16 . 1 1 96 96 LYS C C 89 176.161 176.161 176.150 0.011 17827 7990 1 16 . 1 1 96 96 LYS CA C 89 54.736 54.736 55.156 -0.420 17827 7991 1 16 . 1 1 96 96 LYS CB C 89 32.390 32.390 32.320 0.070 17827 7992 1 16 . 1 1 96 96 LYS H H 89 8.500 8.500 8.655 -0.155 17827 7993 1 16 . 1 1 97 97 LEU N N 90 122.960 122.960 124.049 -1.089 17827 7994 1 16 . 1 1 97 97 LEU HA H 90 5.075 5.075 4.232 0.843 17827 7995 1 16 . 1 1 97 97 LEU C C 90 176.394 176.394 177.193 -0.799 17827 7996 1 16 . 1 1 97 97 LEU CA C 90 53.060 53.060 54.823 -1.763 17827 7997 1 16 . 1 1 97 97 LEU CB C 90 44.850 44.850 42.825 2.025 17827 7998 1 16 . 1 1 97 97 LEU H H 90 8.566 8.566 8.750 -0.184 17827 7999 1 16 . 1 1 98 98 GLN N N 91 119.538 119.538 115.773 3.765 17827 8000 1 16 . 1 1 98 98 GLN HA H 91 5.710 5.710 4.884 0.826 17827 8001 1 16 . 1 1 98 98 GLN C C 91 174.144 174.144 174.581 -0.437 17827 8002 1 16 . 1 1 98 98 GLN CA C 91 54.360 54.360 54.631 -0.271 17827 8003 1 16 . 1 1 98 98 GLN CB C 91 32.290 32.290 33.014 -0.724 17827 8004 1 16 . 1 1 98 98 GLN H H 91 9.060 9.060 8.011 1.049 17827 8005 1 16 . 1 1 99 99 PHE N N 92 125.674 125.674 120.135 5.539 17827 8006 1 16 . 1 1 99 99 PHE HA H 92 5.700 5.700 5.268 0.432 17827 8007 1 16 . 1 1 99 99 PHE C C 92 174.537 174.537 173.931 0.606 17827 8008 1 16 . 1 1 99 99 PHE CA C 92 54.190 54.190 56.666 -2.476 17827 8009 1 16 . 1 1 99 99 PHE CB C 92 41.080 41.080 43.685 -2.605 17827 8010 1 16 . 1 1 99 99 PHE H H 92 9.290 9.290 9.734 -0.444 17827 8011 1 16 . 1 1 100 100 THR N N 93 124.543 124.543 117.677 6.866 17827 8012 1 16 . 1 1 100 100 THR HA H 93 5.100 5.100 4.874 0.226 17827 8013 1 16 . 1 1 100 100 THR C C 93 180.164 180.164 171.699 8.465 17827 8014 1 16 . 1 1 100 100 THR CA C 93 58.830 58.830 59.278 -0.448 17827 8015 1 16 . 1 1 100 100 THR CB C 93 73.610 73.610 71.272 2.338 17827 8016 1 16 . 1 1 100 100 THR H H 93 8.945 8.945 8.605 0.340 17827 8017 1 17 . 1 1 9 9 ALA N N 2 124.336 124.336 123.237 1.099 17827 8018 1 17 . 1 1 9 9 ALA HA H 2 4.210 4.210 4.548 -0.338 17827 8019 1 17 . 1 1 9 9 ALA C C 2 177.598 177.598 176.106 1.492 17827 8020 1 17 . 1 1 9 9 ALA CA C 2 52.440 52.440 52.058 0.382 17827 8021 1 17 . 1 1 9 9 ALA CB C 2 19.030 19.030 19.642 -0.612 17827 8022 1 17 . 1 1 9 9 ALA H H 2 8.018 8.018 8.125 -0.107 17827 8023 1 17 . 1 1 10 10 LEU N N 3 121.125 121.125 121.521 -0.396 17827 8024 1 17 . 1 1 10 10 LEU HA H 3 4.210 4.210 4.176 0.034 17827 8025 1 17 . 1 1 10 10 LEU C C 3 177.094 177.094 177.007 0.087 17827 8026 1 17 . 1 1 10 10 LEU CA C 3 55.320 55.320 56.519 -1.199 17827 8027 1 17 . 1 1 10 10 LEU CB C 3 42.170 42.170 42.312 -0.142 17827 8028 1 17 . 1 1 10 10 LEU H H 3 8.057 8.057 8.332 -0.275 17827 8029 1 17 . 1 1 11 11 ASP N N 4 119.766 119.766 117.151 2.615 17827 8030 1 17 . 1 1 11 11 ASP HA H 4 4.475 4.475 4.733 -0.258 17827 8031 1 17 . 1 1 11 11 ASP C C 4 176.509 176.509 177.707 -1.198 17827 8032 1 17 . 1 1 11 11 ASP CA C 4 54.550 54.550 54.036 0.514 17827 8033 1 17 . 1 1 11 11 ASP CB C 4 40.950 40.950 41.005 -0.056 17827 8034 1 17 . 1 1 11 11 ASP H H 4 8.145 8.145 8.059 0.086 17827 8035 1 17 . 1 1 12 12 GLY N N 5 108.440 108.440 110.237 -1.797 17827 8036 1 17 . 1 1 12 12 GLY C C 5 173.692 173.692 176.059 -2.367 17827 8037 1 17 . 1 1 12 12 GLY CA C 5 45.310 45.310 46.639 -1.329 17827 8038 1 17 . 1 1 12 12 GLY H H 5 8.110 8.110 8.396 -0.286 17827 8039 1 17 . 1 1 13 13 ILE N N 6 119.766 119.766 120.908 -1.142 17827 8040 1 17 . 1 1 13 13 ILE HA H 6 4.100 4.100 3.641 0.459 17827 8041 1 17 . 1 1 13 13 ILE C C 6 175.525 175.525 178.023 -2.498 17827 8042 1 17 . 1 1 13 13 ILE CA C 6 60.710 60.710 63.028 -2.318 17827 8043 1 17 . 1 1 13 13 ILE CB C 6 38.430 38.430 37.106 1.324 17827 8044 1 17 . 1 1 13 13 ILE H H 6 7.790 7.790 7.945 -0.155 17827 8045 1 17 . 1 1 14 14 ARG N N 7 125.657 125.657 118.527 7.130 17827 8046 1 17 . 1 1 14 14 ARG HA H 7 4.210 4.210 3.971 0.239 17827 8047 1 17 . 1 1 14 14 ARG C C 7 175.810 175.810 177.016 -1.206 17827 8048 1 17 . 1 1 14 14 ARG CA C 7 55.640 55.640 59.085 -3.445 17827 8049 1 17 . 1 1 14 14 ARG CB C 7 30.990 30.990 30.583 0.407 17827 8050 1 17 . 1 1 14 14 ARG H H 7 8.410 8.410 8.165 0.245 17827 8051 1 17 . 1 1 15 15 MET N N 8 123.598 123.598 110.397 13.201 17827 8052 1 17 . 1 1 15 15 MET HA H 8 4.210 4.210 4.987 -0.777 17827 8053 1 17 . 1 1 15 15 MET C C 8 174.950 174.950 174.265 0.685 17827 8054 1 17 . 1 1 15 15 MET CA C 8 55.330 55.330 57.338 -2.008 17827 8055 1 17 . 1 1 15 15 MET CB C 8 31.730 31.730 30.814 0.916 17827 8056 1 17 . 1 1 15 15 MET H H 8 8.495 8.495 7.640 0.855 17827 8057 1 17 . 1 1 16 16 PRO HA H 9 4.290 4.290 4.166 0.124 17827 8058 1 17 . 1 1 16 16 PRO C C 9 176.228 176.228 177.318 -1.090 17827 8059 1 17 . 1 1 16 16 PRO CA C 9 63.370 63.370 66.179 -2.809 17827 8060 1 17 . 1 1 16 16 PRO CB C 9 31.820 31.820 31.209 0.611 17827 8061 1 17 . 1 1 17 17 ASP N N 10 117.952 117.952 113.083 4.869 17827 8062 1 17 . 1 1 17 17 ASP HA H 10 4.420 4.420 4.768 -0.348 17827 8063 1 17 . 1 1 17 17 ASP C C 10 176.714 176.714 176.894 -0.180 17827 8064 1 17 . 1 1 17 17 ASP CA C 10 54.130 54.130 54.145 -0.015 17827 8065 1 17 . 1 1 17 17 ASP CB C 10 40.430 40.430 41.300 -0.870 17827 8066 1 17 . 1 1 17 17 ASP H H 10 8.076 8.076 7.681 0.395 17827 8067 1 17 . 1 1 18 18 GLY N N 11 108.663 108.663 106.232 2.431 17827 8068 1 17 . 1 1 18 18 GLY C C 11 173.819 173.819 174.130 -0.311 17827 8069 1 17 . 1 1 18 18 GLY CA C 11 45.300 45.300 45.250 0.050 17827 8070 1 17 . 1 1 18 18 GLY H H 11 8.255 8.255 8.216 0.039 17827 8071 1 17 . 1 1 19 19 CYS N N 12 118.179 118.179 120.716 -2.537 17827 8072 1 17 . 1 1 19 19 CYS HA H 12 4.550 4.550 4.386 0.164 17827 8073 1 17 . 1 1 19 19 CYS C C 12 174.073 174.073 174.475 -0.402 17827 8074 1 17 . 1 1 19 19 CYS CA C 12 58.420 58.420 61.158 -2.738 17827 8075 1 17 . 1 1 19 19 CYS CB C 12 28.400 28.400 29.056 -0.656 17827 8076 1 17 . 1 1 19 19 CYS H H 12 7.850 7.850 8.716 -0.866 17827 8077 1 17 . 1 1 20 20 TYR N N 13 120.897 120.897 120.533 0.364 17827 8078 1 17 . 1 1 20 20 TYR HA H 13 4.550 4.550 4.513 0.037 17827 8079 1 17 . 1 1 20 20 TYR C C 13 176.748 176.748 175.177 1.571 17827 8080 1 17 . 1 1 20 20 TYR CA C 13 58.470 58.470 57.856 0.614 17827 8081 1 17 . 1 1 20 20 TYR CB C 13 39.210 39.210 38.877 0.334 17827 8082 1 17 . 1 1 20 20 TYR H H 13 8.550 8.550 7.955 0.595 17827 8083 1 17 . 1 1 21 21 ALA N N 14 124.750 124.750 128.893 -4.143 17827 8084 1 17 . 1 1 21 21 ALA HA H 14 4.190 4.190 4.277 -0.087 17827 8085 1 17 . 1 1 21 21 ALA C C 14 177.181 177.181 177.239 -0.058 17827 8086 1 17 . 1 1 21 21 ALA CA C 14 53.530 53.530 53.657 -0.127 17827 8087 1 17 . 1 1 21 21 ALA CB C 14 18.630 18.630 19.481 -0.851 17827 8088 1 17 . 1 1 21 21 ALA H H 14 8.615 8.615 8.683 -0.068 17827 8089 1 17 . 1 1 22 22 ASP N N 15 117.500 117.500 116.675 0.825 17827 8090 1 17 . 1 1 22 22 ASP HA H 15 4.480 4.480 4.544 -0.064 17827 8091 1 17 . 1 1 22 22 ASP C C 15 176.708 176.708 176.599 0.109 17827 8092 1 17 . 1 1 22 22 ASP CA C 15 53.500 53.500 53.922 -0.422 17827 8093 1 17 . 1 1 22 22 ASP CB C 15 40.730 40.730 41.224 -0.494 17827 8094 1 17 . 1 1 22 22 ASP H H 15 7.960 7.960 7.705 0.256 17827 8095 1 17 . 1 1 23 23 GLY N N 16 108.891 108.891 109.001 -0.110 17827 8096 1 17 . 1 1 23 23 GLY C C 16 174.373 174.373 173.701 0.672 17827 8097 1 17 . 1 1 23 23 GLY CA C 16 45.370 45.370 45.806 -0.436 17827 8098 1 17 . 1 1 23 23 GLY H H 16 8.344 8.344 8.242 0.102 17827 8099 1 17 . 1 1 24 24 THR N N 17 110.929 110.929 113.981 -3.052 17827 8100 1 17 . 1 1 24 24 THR HA H 17 4.640 4.640 3.808 0.832 17827 8101 1 17 . 1 1 24 24 THR C C 17 173.620 173.620 173.310 0.310 17827 8102 1 17 . 1 1 24 24 THR CA C 17 60.540 60.540 61.016 -0.476 17827 8103 1 17 . 1 1 24 24 THR CB C 17 72.100 72.100 69.661 2.439 17827 8104 1 17 . 1 1 24 24 THR H H 17 7.850 7.850 7.398 0.452 17827 8105 1 17 . 1 1 25 25 TRP N N 18 117.728 117.728 118.808 -1.080 17827 8106 1 17 . 1 1 25 25 TRP HA H 18 4.945 4.945 4.843 0.102 17827 8107 1 17 . 1 1 25 25 TRP C C 18 174.164 174.164 173.737 0.427 17827 8108 1 17 . 1 1 25 25 TRP CA C 18 54.620 54.620 56.526 -1.906 17827 8109 1 17 . 1 1 25 25 TRP CB C 18 30.650 30.650 30.079 0.571 17827 8110 1 17 . 1 1 25 25 TRP H H 18 8.640 8.640 7.720 0.920 17827 8111 1 17 . 1 1 26 26 GLU N N 19 117.728 117.728 118.932 -1.204 17827 8112 1 17 . 1 1 26 26 GLU HA H 19 4.851 4.851 4.848 0.003 17827 8113 1 17 . 1 1 26 26 GLU C C 19 174.786 174.786 174.513 0.273 17827 8114 1 17 . 1 1 26 26 GLU CA C 19 55.710 55.710 54.813 0.896 17827 8115 1 17 . 1 1 26 26 GLU CB C 19 31.500 31.500 32.497 -0.997 17827 8116 1 17 . 1 1 26 26 GLU H H 19 8.744 8.744 8.487 0.257 17827 8117 1 17 . 1 1 27 27 LEU N N 20 126.668 126.668 119.443 7.225 17827 8118 1 17 . 1 1 27 27 LEU HA H 20 4.880 4.880 4.708 0.172 17827 8119 1 17 . 1 1 27 27 LEU C C 20 175.123 175.123 175.301 -0.178 17827 8120 1 17 . 1 1 27 27 LEU CA C 20 53.252 53.252 53.509 -0.257 17827 8121 1 17 . 1 1 27 27 LEU CB C 20 45.280 45.280 46.779 -1.499 17827 8122 1 17 . 1 1 27 27 LEU H H 20 8.980 8.980 8.748 0.232 17827 8123 1 17 . 1 1 28 28 SER N N 21 121.804 121.804 117.452 4.352 17827 8124 1 17 . 1 1 28 28 SER HA H 21 4.894 4.894 5.043 -0.149 17827 8125 1 17 . 1 1 28 28 SER C C 21 173.483 173.483 172.790 0.693 17827 8126 1 17 . 1 1 28 28 SER CA C 21 57.880 57.880 56.696 1.184 17827 8127 1 17 . 1 1 28 28 SER CB C 21 63.920 63.920 64.489 -0.569 17827 8128 1 17 . 1 1 28 28 SER H H 21 8.785 8.785 8.411 0.374 17827 8129 1 17 . 1 1 29 29 VAL N N 22 125.881 125.881 122.357 3.524 17827 8130 1 17 . 1 1 29 29 VAL HA H 22 4.370 4.370 4.434 -0.064 17827 8131 1 17 . 1 1 29 29 VAL C C 22 173.953 173.953 174.769 -0.816 17827 8132 1 17 . 1 1 29 29 VAL CA C 22 60.440 60.440 60.093 0.347 17827 8133 1 17 . 1 1 29 29 VAL CB C 22 34.350 34.350 35.564 -1.214 17827 8134 1 17 . 1 1 29 29 VAL H H 22 8.865 8.865 8.306 0.559 17827 8135 1 17 . 1 1 30 30 HIS N N 23 126.560 126.560 122.894 3.666 17827 8136 1 17 . 1 1 30 30 HIS HA H 23 5.220 5.220 4.765 0.455 17827 8137 1 17 . 1 1 30 30 HIS C C 23 174.596 174.596 174.290 0.306 17827 8138 1 17 . 1 1 30 30 HIS CA C 23 55.250 55.250 55.440 -0.190 17827 8139 1 17 . 1 1 30 30 HIS CB C 23 30.550 30.550 33.256 -2.706 17827 8140 1 17 . 1 1 30 30 HIS H H 23 8.810 8.810 8.542 0.268 17827 8141 1 17 . 1 1 31 31 VAL N N 24 130.587 130.587 128.093 2.494 17827 8142 1 17 . 1 1 31 31 VAL HA H 24 5.230 5.230 4.607 0.623 17827 8143 1 17 . 1 1 31 31 VAL C C 24 177.426 177.426 175.755 1.671 17827 8144 1 17 . 1 1 31 31 VAL CA C 24 55.530 55.530 62.483 -6.953 17827 8145 1 17 . 1 1 31 31 VAL CB C 24 31.040 31.040 31.249 -0.209 17827 8146 1 17 . 1 1 31 31 VAL H H 24 9.043 9.043 8.762 0.281 17827 8147 1 17 . 1 1 32 32 THR N N 25 122.484 122.484 119.817 2.667 17827 8148 1 17 . 1 1 32 32 THR HA H 25 3.970 3.970 4.561 -0.591 17827 8149 1 17 . 1 1 32 32 THR C C 25 177.437 177.437 175.490 1.947 17827 8150 1 17 . 1 1 32 32 THR CA C 25 66.470 66.470 61.793 4.677 17827 8151 1 17 . 1 1 32 32 THR CB C 25 68.220 68.220 70.213 -1.993 17827 8152 1 17 . 1 1 32 32 THR H H 25 8.245 8.245 8.643 -0.398 17827 8153 1 17 . 1 1 34 34 VAL N N 27 114.090 114.090 118.077 -3.987 17827 8154 1 17 . 1 1 34 34 VAL HA H 27 4.500 4.500 4.167 0.333 17827 8155 1 17 . 1 1 34 34 VAL CA C 27 54.220 54.220 62.530 -8.310 17827 8156 1 17 . 1 1 34 34 VAL CB C 27 27.060 27.060 33.697 -6.637 17827 8157 1 17 . 1 1 34 34 VAL H H 27 6.977 6.977 7.386 -0.409 17827 8158 1 17 . 1 1 35 35 ASN N N 28 116.829 116.829 115.139 1.690 17827 8159 1 17 . 1 1 35 35 ASN HA H 28 4.299 4.299 4.441 -0.142 17827 8160 1 17 . 1 1 35 35 ASN CA C 28 53.650 53.650 54.158 -0.508 17827 8161 1 17 . 1 1 35 35 ASN CB C 28 37.110 37.110 37.933 -0.823 17827 8162 1 17 . 1 1 35 35 ASN H H 28 7.897 7.897 8.350 -0.453 17827 8163 1 17 . 1 1 36 36 ARG N N 29 114.310 114.310 117.446 -3.136 17827 8164 1 17 . 1 1 36 36 ARG HA H 29 4.700 4.700 4.656 0.044 17827 8165 1 17 . 1 1 36 36 ARG C C 29 173.347 173.347 174.179 -0.832 17827 8166 1 17 . 1 1 36 36 ARG CA C 29 54.900 54.900 54.817 0.083 17827 8167 1 17 . 1 1 36 36 ARG CB C 29 34.700 34.700 32.033 2.667 17827 8168 1 17 . 1 1 36 36 ARG H H 29 6.787 6.787 7.643 -0.856 17827 8169 1 17 . 1 1 37 37 ASP N N 30 124.071 124.071 118.005 6.066 17827 8170 1 17 . 1 1 37 37 ASP HA H 30 5.475 5.475 4.649 0.826 17827 8171 1 17 . 1 1 37 37 ASP C C 30 175.354 175.354 174.500 0.854 17827 8172 1 17 . 1 1 37 37 ASP CA C 30 53.660 53.660 53.419 0.241 17827 8173 1 17 . 1 1 37 37 ASP CB C 30 42.260 42.260 42.477 -0.217 17827 8174 1 17 . 1 1 37 37 ASP H H 30 8.760 8.760 8.408 0.352 17827 8175 1 17 . 1 1 38 38 VAL N N 31 123.300 123.300 118.658 4.642 17827 8176 1 17 . 1 1 38 38 VAL HA H 31 4.270 4.270 4.501 -0.231 17827 8177 1 17 . 1 1 38 38 VAL C C 31 174.203 174.203 174.404 -0.201 17827 8178 1 17 . 1 1 38 38 VAL CA C 31 60.700 60.700 59.788 0.912 17827 8179 1 17 . 1 1 38 38 VAL CB C 31 34.620 34.620 36.321 -1.701 17827 8180 1 17 . 1 1 38 38 VAL H H 31 9.187 9.187 7.988 1.199 17827 8181 1 17 . 1 1 39 39 THR N N 32 119.766 119.766 113.685 6.081 17827 8182 1 17 . 1 1 39 39 THR HA H 32 5.095 5.095 4.888 0.207 17827 8183 1 17 . 1 1 39 39 THR C C 32 173.547 173.547 173.091 0.456 17827 8184 1 17 . 1 1 39 39 THR CA C 32 60.550 60.550 60.054 0.496 17827 8185 1 17 . 1 1 39 39 THR CB C 32 70.170 70.170 71.114 -0.944 17827 8186 1 17 . 1 1 39 39 THR H H 32 8.360 8.360 8.134 0.226 17827 8187 1 17 . 1 1 40 40 LEU N N 33 124.522 124.522 122.745 1.777 17827 8188 1 17 . 1 1 40 40 LEU HA H 33 4.590 4.590 4.590 0.000 17827 8189 1 17 . 1 1 40 40 LEU C C 33 174.691 174.691 175.734 -1.043 17827 8190 1 17 . 1 1 40 40 LEU CA C 33 52.580 52.580 53.714 -1.133 17827 8191 1 17 . 1 1 40 40 LEU CB C 33 45.410 45.410 44.168 1.242 17827 8192 1 17 . 1 1 40 40 LEU H H 33 8.750 8.750 8.089 0.661 17827 8193 1 17 . 1 1 41 41 ARG N N 34 122.712 122.712 124.381 -1.669 17827 8194 1 17 . 1 1 41 41 ARG HA H 34 4.680 4.680 4.710 -0.030 17827 8195 1 17 . 1 1 41 41 ARG C C 34 175.700 175.700 174.496 1.204 17827 8196 1 17 . 1 1 41 41 ARG CA C 34 55.420 55.420 55.088 0.332 17827 8197 1 17 . 1 1 41 41 ARG CB C 34 29.500 29.500 29.393 0.107 17827 8198 1 17 . 1 1 41 41 ARG H H 34 8.345 8.345 8.715 -0.370 17827 8199 1 17 . 1 1 42 42 VAL N N 35 117.728 117.728 116.808 0.920 17827 8200 1 17 . 1 1 42 42 VAL HA H 35 4.465 4.465 4.573 -0.108 17827 8201 1 17 . 1 1 42 42 VAL C C 35 173.184 173.184 173.938 -0.754 17827 8202 1 17 . 1 1 42 42 VAL CA C 35 58.670 58.670 58.900 -0.230 17827 8203 1 17 . 1 1 42 42 VAL CB C 35 36.050 36.050 34.967 1.083 17827 8204 1 17 . 1 1 42 42 VAL H H 35 8.640 8.640 7.776 0.864 17827 8205 1 17 . 1 1 43 43 THR N N 36 104.359 104.359 109.322 -4.963 17827 8206 1 17 . 1 1 43 43 THR HA H 36 4.660 4.660 2.573 2.087 17827 8207 1 17 . 1 1 43 43 THR C C 36 174.862 174.862 174.984 -0.122 17827 8208 1 17 . 1 1 43 43 THR CA C 36 59.010 59.010 59.079 -0.069 17827 8209 1 17 . 1 1 43 43 THR CB C 36 71.570 71.570 71.383 0.187 17827 8210 1 17 . 1 1 43 43 THR H H 36 6.220 6.220 7.974 -1.754 17827 8211 1 17 . 1 1 44 44 GLY N N 37 105.946 105.946 107.871 -1.925 17827 8212 1 17 . 1 1 44 44 GLY C C 37 173.394 173.394 174.402 -1.008 17827 8213 1 17 . 1 1 44 44 GLY CA C 37 46.830 46.830 47.300 -0.469 17827 8214 1 17 . 1 1 44 44 GLY H H 37 9.160 9.160 8.659 0.501 17827 8215 1 17 . 1 1 45 45 GLU N N 38 113.875 113.875 117.058 -3.183 17827 8216 1 17 . 1 1 45 45 GLU HA H 38 4.290 4.290 4.301 -0.011 17827 8217 1 17 . 1 1 45 45 GLU C C 38 176.167 176.167 176.705 -0.538 17827 8218 1 17 . 1 1 45 45 GLU CA C 38 55.500 55.500 55.568 -0.068 17827 8219 1 17 . 1 1 45 45 GLU CB C 38 30.950 30.950 29.513 1.437 17827 8220 1 17 . 1 1 45 45 GLU H H 38 7.500 7.500 7.254 0.246 17827 8221 1 17 . 1 1 46 46 VAL N N 39 121.577 121.577 122.461 -0.884 17827 8222 1 17 . 1 1 46 46 VAL HA H 39 3.820 3.820 3.862 -0.042 17827 8223 1 17 . 1 1 46 46 VAL C C 39 174.651 174.651 175.133 -0.482 17827 8224 1 17 . 1 1 46 46 VAL CA C 39 63.920 63.920 62.381 1.539 17827 8225 1 17 . 1 1 46 46 VAL CB C 39 31.590 31.590 32.510 -0.920 17827 8226 1 17 . 1 1 46 46 VAL H H 39 7.260 7.260 7.642 -0.382 17827 8227 1 17 . 1 1 47 47 HIS N N 40 123.391 123.391 126.297 -2.906 17827 8228 1 17 . 1 1 47 47 HIS HA H 40 5.212 5.212 4.606 0.606 17827 8229 1 17 . 1 1 47 47 HIS C C 40 177.440 177.440 176.288 1.152 17827 8230 1 17 . 1 1 47 47 HIS CA C 40 54.660 54.660 56.614 -1.954 17827 8231 1 17 . 1 1 47 47 HIS CB C 40 30.910 30.910 30.701 0.209 17827 8232 1 17 . 1 1 47 47 HIS H H 40 8.285 8.285 8.387 -0.102 17827 8233 1 17 . 1 1 48 48 ILE N N 41 124.071 124.071 124.549 -0.478 17827 8234 1 17 . 1 1 48 48 ILE HA H 41 3.530 3.530 3.828 -0.298 17827 8235 1 17 . 1 1 48 48 ILE C C 41 178.941 178.941 177.722 1.219 17827 8236 1 17 . 1 1 48 48 ILE CA C 41 62.330 62.330 65.469 -3.139 17827 8237 1 17 . 1 1 48 48 ILE CB C 41 34.230 34.230 37.938 -3.708 17827 8238 1 17 . 1 1 48 48 ILE H H 41 8.863 8.863 8.533 0.330 17827 8239 1 17 . 1 1 49 49 GLY N N 42 106.853 106.853 104.403 2.450 17827 8240 1 17 . 1 1 49 49 GLY C C 42 175.669 175.669 175.312 0.357 17827 8241 1 17 . 1 1 49 49 GLY CA C 42 45.320 45.320 46.282 -0.962 17827 8242 1 17 . 1 1 49 49 GLY H H 42 9.720 9.720 8.764 0.956 17827 8243 1 17 . 1 1 50 50 GLY N N 43 109.571 109.571 108.820 0.751 17827 8244 1 17 . 1 1 50 50 GLY C C 43 175.847 175.847 175.629 0.218 17827 8245 1 17 . 1 1 50 50 GLY CA C 43 47.000 47.000 45.538 1.462 17827 8246 1 17 . 1 1 50 50 GLY H H 43 6.950 6.950 8.202 -1.252 17827 8247 1 17 . 1 1 51 51 VAL N N 44 123.163 123.163 124.650 -1.487 17827 8248 1 17 . 1 1 51 51 VAL HA H 44 3.115 3.115 3.637 -0.522 17827 8249 1 17 . 1 1 51 51 VAL C C 44 176.804 176.804 178.136 -1.332 17827 8250 1 17 . 1 1 51 51 VAL CA C 44 66.660 66.660 67.053 -0.393 17827 8251 1 17 . 1 1 51 51 VAL CB C 44 30.730 30.730 31.649 -0.919 17827 8252 1 17 . 1 1 51 51 VAL H H 44 7.860 7.860 8.723 -0.863 17827 8253 1 17 . 1 1 52 52 MET N N 45 115.913 115.913 117.150 -1.237 17827 8254 1 17 . 1 1 52 52 MET HA H 45 3.410 3.410 4.366 -0.956 17827 8255 1 17 . 1 1 52 52 MET C C 45 176.881 176.881 178.096 -1.215 17827 8256 1 17 . 1 1 52 52 MET CA C 45 59.830 59.830 59.472 0.358 17827 8257 1 17 . 1 1 52 52 MET CB C 45 32.310 32.310 31.935 0.375 17827 8258 1 17 . 1 1 52 52 MET H H 45 7.940 7.940 7.742 0.198 17827 8259 1 17 . 1 1 53 53 LEU N N 46 118.291 118.291 121.799 -3.508 17827 8260 1 17 . 1 1 53 53 LEU HA H 46 3.940 3.940 3.650 0.290 17827 8261 1 17 . 1 1 53 53 LEU C C 46 179.178 179.178 179.181 -0.003 17827 8262 1 17 . 1 1 53 53 LEU CA C 46 58.500 58.500 57.838 0.662 17827 8263 1 17 . 1 1 53 53 LEU CB C 46 41.930 41.930 40.828 1.102 17827 8264 1 17 . 1 1 53 53 LEU H H 46 7.550 7.550 7.665 -0.115 17827 8265 1 17 . 1 1 54 54 LYS N N 47 118.142 118.142 118.782 -0.640 17827 8266 1 17 . 1 1 54 54 LYS HA H 47 3.870 3.870 3.959 -0.089 17827 8267 1 17 . 1 1 54 54 LYS C C 47 178.616 178.616 179.186 -0.570 17827 8268 1 17 . 1 1 54 54 LYS CA C 47 57.980 57.980 59.227 -1.248 17827 8269 1 17 . 1 1 54 54 LYS CB C 47 32.320 32.320 32.009 0.311 17827 8270 1 17 . 1 1 54 54 LYS H H 47 7.665 7.665 8.550 -0.885 17827 8271 1 17 . 1 1 55 55 LEU N N 48 119.385 119.385 120.349 -0.964 17827 8272 1 17 . 1 1 55 55 LEU HA H 48 3.570 3.570 4.271 -0.701 17827 8273 1 17 . 1 1 55 55 LEU C C 48 177.405 177.405 177.782 -0.377 17827 8274 1 17 . 1 1 55 55 LEU CA C 48 57.790 57.790 57.782 0.008 17827 8275 1 17 . 1 1 55 55 LEU CB C 48 41.590 41.590 42.156 -0.566 17827 8276 1 17 . 1 1 55 55 LEU H H 48 7.975 7.975 7.502 0.473 17827 8277 1 17 . 1 1 56 56 VAL N N 49 116.141 116.141 119.267 -3.126 17827 8278 1 17 . 1 1 56 56 VAL HA H 49 2.990 2.990 3.628 -0.638 17827 8279 1 17 . 1 1 56 56 VAL C C 49 178.564 178.564 178.140 0.424 17827 8280 1 17 . 1 1 56 56 VAL CA C 49 66.310 66.310 66.621 -0.311 17827 8281 1 17 . 1 1 56 56 VAL CB C 49 31.300 31.300 31.779 -0.479 17827 8282 1 17 . 1 1 56 56 VAL H H 49 7.615 7.615 8.857 -1.242 17827 8283 1 17 . 1 1 57 57 GLU N N 50 118.631 118.631 117.574 1.057 17827 8284 1 17 . 1 1 57 57 GLU HA H 50 3.965 3.965 3.995 -0.030 17827 8285 1 17 . 1 1 57 57 GLU C C 50 178.030 178.030 177.770 0.260 17827 8286 1 17 . 1 1 57 57 GLU CA C 50 58.500 58.500 58.901 -0.401 17827 8287 1 17 . 1 1 57 57 GLU CB C 50 29.610 29.610 29.647 -0.037 17827 8288 1 17 . 1 1 57 57 GLU H H 50 7.575 7.575 8.678 -1.103 17827 8289 1 17 . 1 1 58 58 LYS N N 51 117.053 117.053 118.385 -1.332 17827 8290 1 17 . 1 1 58 58 LYS HA H 51 4.130 4.130 4.012 0.118 17827 8291 1 17 . 1 1 58 58 LYS C C 51 176.956 176.956 178.018 -1.062 17827 8292 1 17 . 1 1 58 58 LYS CA C 51 56.660 56.660 58.320 -1.660 17827 8293 1 17 . 1 1 58 58 LYS CB C 51 32.660 32.660 32.810 -0.150 17827 8294 1 17 . 1 1 58 58 LYS H H 51 7.490 7.490 7.386 0.104 17827 8295 1 17 . 1 1 59 59 LEU N N 52 119.460 119.460 118.263 1.197 17827 8296 1 17 . 1 1 59 59 LEU HA H 52 4.122 4.122 3.984 0.138 17827 8297 1 17 . 1 1 59 59 LEU C C 52 176.645 176.645 176.540 0.105 17827 8298 1 17 . 1 1 59 59 LEU CA C 52 56.660 56.660 55.739 0.921 17827 8299 1 17 . 1 1 59 59 LEU CB C 52 42.700 42.700 42.233 0.467 17827 8300 1 17 . 1 1 59 59 LEU H H 52 7.470 7.470 7.994 -0.524 17827 8301 1 17 . 1 1 62 62 LYS C C 55 175.670 175.670 176.108 -0.438 17827 8302 1 17 . 1 1 63 63 LYS N N 56 122.430 122.430 123.569 -1.139 17827 8303 1 17 . 1 1 63 63 LYS HA H 56 4.030 4.030 4.379 -0.349 17827 8304 1 17 . 1 1 63 63 LYS C C 56 172.850 172.850 175.546 -2.696 17827 8305 1 17 . 1 1 63 63 LYS CA C 56 54.530 54.530 56.225 -1.695 17827 8306 1 17 . 1 1 63 63 LYS CB C 56 34.440 34.440 33.728 0.711 17827 8307 1 17 . 1 1 63 63 LYS H H 56 7.245 7.245 7.977 -0.732 17827 8308 1 17 . 1 1 64 64 ASP N N 57 118.867 118.867 120.288 -1.421 17827 8309 1 17 . 1 1 64 64 ASP HA H 57 4.530 4.530 4.169 0.361 17827 8310 1 17 . 1 1 64 64 ASP C C 57 176.710 176.710 175.696 1.014 17827 8311 1 17 . 1 1 64 64 ASP CA C 57 52.500 52.500 54.299 -1.799 17827 8312 1 17 . 1 1 64 64 ASP CB C 57 40.320 40.320 41.386 -1.066 17827 8313 1 17 . 1 1 64 64 ASP H H 57 7.867 7.867 8.078 -0.211 17827 8314 1 17 . 1 1 65 65 TRP N N 58 128.827 128.827 121.524 7.303 17827 8315 1 17 . 1 1 65 65 TRP HA H 58 4.540 4.540 4.719 -0.179 17827 8316 1 17 . 1 1 65 65 TRP C C 58 178.390 178.390 177.986 0.404 17827 8317 1 17 . 1 1 65 65 TRP CA C 58 52.860 52.860 58.351 -5.491 17827 8318 1 17 . 1 1 65 65 TRP CB C 58 29.420 29.420 28.618 0.802 17827 8319 1 17 . 1 1 65 65 TRP H H 58 8.790 8.790 7.980 0.810 17827 8320 1 17 . 1 1 66 66 SER N N 59 117.724 117.724 114.688 3.036 17827 8321 1 17 . 1 1 66 66 SER HA H 59 4.143 4.143 4.476 -0.333 17827 8322 1 17 . 1 1 66 66 SER C C 59 174.471 174.471 175.317 -0.846 17827 8323 1 17 . 1 1 66 66 SER CA C 59 62.350 62.350 60.418 1.932 17827 8324 1 17 . 1 1 66 66 SER CB C 59 63.110 63.110 63.150 -0.040 17827 8325 1 17 . 1 1 66 66 SER H H 59 8.637 8.637 8.197 0.440 17827 8326 1 17 . 1 1 67 67 ASP N N 60 121.042 121.042 120.297 0.745 17827 8327 1 17 . 1 1 67 67 ASP C C 60 176.206 176.206 176.467 -0.261 17827 8328 1 17 . 1 1 67 67 ASP CB C 60 42.560 42.560 41.087 1.473 17827 8329 1 17 . 1 1 67 67 ASP H H 60 8.895 8.895 8.574 0.321 17827 8330 1 17 . 1 1 68 68 HIS N N 61 121.519 121.519 117.239 4.280 17827 8331 1 17 . 1 1 68 68 HIS HA H 61 4.490 4.490 4.406 0.084 17827 8332 1 17 . 1 1 68 68 HIS C C 61 174.546 174.546 173.565 0.981 17827 8333 1 17 . 1 1 68 68 HIS CA C 61 57.940 57.940 56.264 1.676 17827 8334 1 17 . 1 1 68 68 HIS CB C 61 39.410 39.410 31.466 7.944 17827 8335 1 17 . 1 1 68 68 HIS H H 61 7.958 7.958 7.517 0.441 17827 8336 1 17 . 1 1 69 69 ALA N N 62 122.256 122.256 118.095 4.161 17827 8337 1 17 . 1 1 69 69 ALA C C 62 175.294 175.294 174.704 0.590 17827 8338 1 17 . 1 1 69 69 ALA CB C 62 22.470 22.470 22.739 -0.269 17827 8339 1 17 . 1 1 69 69 ALA H H 62 8.575 8.575 8.781 -0.206 17827 8340 1 17 . 1 1 70 70 LEU N N 63 118.904 118.904 120.321 -1.417 17827 8341 1 17 . 1 1 70 70 LEU HA H 63 5.654 5.654 4.846 0.808 17827 8342 1 17 . 1 1 70 70 LEU C C 63 174.445 174.445 176.485 -2.040 17827 8343 1 17 . 1 1 70 70 LEU CA C 63 53.930 53.930 53.084 0.846 17827 8344 1 17 . 1 1 70 70 LEU CB C 63 44.300 44.300 42.216 2.084 17827 8345 1 17 . 1 1 70 70 LEU H H 63 9.150 9.150 8.631 0.519 17827 8346 1 17 . 1 1 71 71 TRP N N 64 125.367 125.367 127.458 -2.091 17827 8347 1 17 . 1 1 71 71 TRP C C 64 174.010 174.010 175.059 -1.049 17827 8348 1 17 . 1 1 71 71 TRP CB C 64 32.210 32.210 30.147 2.063 17827 8349 1 17 . 1 1 71 71 TRP H H 64 9.590 9.590 8.477 1.113 17827 8350 1 17 . 1 1 72 72 TRP N N 65 129.982 129.982 129.420 0.562 17827 8351 1 17 . 1 1 72 72 TRP HA H 65 4.980 4.980 4.873 0.107 17827 8352 1 17 . 1 1 72 72 TRP C C 65 174.335 174.335 175.940 -1.605 17827 8353 1 17 . 1 1 72 72 TRP CA C 65 51.440 51.440 55.183 -3.743 17827 8354 1 17 . 1 1 72 72 TRP CB C 65 30.490 30.490 32.228 -1.738 17827 8355 1 17 . 1 1 72 72 TRP H H 65 8.277 8.277 8.571 -0.294 17827 8356 1 17 . 1 1 73 73 GLU N N 66 129.112 129.112 126.527 2.585 17827 8357 1 17 . 1 1 73 73 GLU HA H 66 3.300 3.300 3.657 -0.357 17827 8358 1 17 . 1 1 73 73 GLU C C 66 178.595 178.595 177.591 1.004 17827 8359 1 17 . 1 1 73 73 GLU CA C 66 59.920 59.920 59.484 0.436 17827 8360 1 17 . 1 1 73 73 GLU CB C 66 29.060 29.060 28.502 0.558 17827 8361 1 17 . 1 1 73 73 GLU H H 66 8.969 8.969 9.279 -0.310 17827 8362 1 17 . 1 1 74 74 LYS N N 67 117.492 117.492 118.019 -0.527 17827 8363 1 17 . 1 1 74 74 LYS HA H 67 3.702 3.702 3.416 0.286 17827 8364 1 17 . 1 1 74 74 LYS C C 67 176.361 176.361 177.642 -1.281 17827 8365 1 17 . 1 1 74 74 LYS CA C 67 58.660 58.660 58.159 0.501 17827 8366 1 17 . 1 1 74 74 LYS CB C 67 32.020 32.020 31.547 0.473 17827 8367 1 17 . 1 1 74 74 LYS H H 67 7.860 7.860 6.662 1.198 17827 8368 1 17 . 1 1 75 75 LYS N N 68 121.233 121.233 114.938 6.295 17827 8369 1 17 . 1 1 75 75 LYS HA H 68 3.935 3.935 4.358 -0.423 17827 8370 1 17 . 1 1 75 75 LYS C C 68 174.183 174.183 175.327 -1.144 17827 8371 1 17 . 1 1 75 75 LYS CA C 68 53.400 53.400 55.286 -1.886 17827 8372 1 17 . 1 1 75 75 LYS CB C 68 32.200 32.200 33.937 -1.737 17827 8373 1 17 . 1 1 75 75 LYS H H 68 7.500 7.500 7.284 0.216 17827 8374 1 17 . 1 1 76 76 ARG N N 69 121.125 121.125 117.095 4.030 17827 8375 1 17 . 1 1 76 76 ARG HA H 69 2.890 2.890 4.045 -1.155 17827 8376 1 17 . 1 1 76 76 ARG C C 69 173.984 173.984 174.874 -0.890 17827 8377 1 17 . 1 1 76 76 ARG CA C 69 56.316 56.316 56.453 -0.137 17827 8378 1 17 . 1 1 76 76 ARG CB C 69 27.090 27.090 27.064 0.026 17827 8379 1 17 . 1 1 76 76 ARG H H 69 7.500 7.500 7.703 -0.203 17827 8380 1 17 . 1 1 77 77 THR N N 70 110.478 110.478 112.568 -2.090 17827 8381 1 17 . 1 1 77 77 THR HA H 70 4.650 4.650 4.469 0.181 17827 8382 1 17 . 1 1 77 77 THR C C 70 171.846 171.846 172.005 -0.159 17827 8383 1 17 . 1 1 77 77 THR CA C 70 61.630 61.630 60.297 1.333 17827 8384 1 17 . 1 1 77 77 THR CB C 70 72.210 72.210 71.155 1.055 17827 8385 1 17 . 1 1 77 77 THR H H 70 6.280 6.280 7.624 -1.344 17827 8386 1 17 . 1 1 78 78 TRP N N 71 127.244 127.244 118.752 8.492 17827 8387 1 17 . 1 1 78 78 TRP HA H 71 4.750 4.750 5.345 -0.595 17827 8388 1 17 . 1 1 78 78 TRP C C 71 177.303 177.303 175.929 1.374 17827 8389 1 17 . 1 1 78 78 TRP CA C 71 56.240 56.240 55.120 1.120 17827 8390 1 17 . 1 1 78 78 TRP CB C 71 30.500 30.500 31.297 -0.797 17827 8391 1 17 . 1 1 78 78 TRP H H 71 8.795 8.795 8.316 0.479 17827 8392 1 17 . 1 1 79 79 LEU N N 72 125.202 125.202 122.870 2.332 17827 8393 1 17 . 1 1 79 79 LEU HA H 72 4.500 4.500 4.753 -0.253 17827 8394 1 17 . 1 1 79 79 LEU C C 72 175.667 175.667 176.619 -0.952 17827 8395 1 17 . 1 1 79 79 LEU CA C 72 52.510 52.510 54.366 -1.856 17827 8396 1 17 . 1 1 79 79 LEU CB C 72 38.240 38.240 40.781 -2.541 17827 8397 1 17 . 1 1 79 79 LEU H H 72 9.175 9.175 8.355 0.820 17827 8398 1 17 . 1 1 80 80 LEU N N 73 119.170 119.170 123.757 -4.587 17827 8399 1 17 . 1 1 80 80 LEU HA H 73 4.380 4.380 4.431 -0.051 17827 8400 1 17 . 1 1 80 80 LEU C C 73 178.139 178.139 176.854 1.285 17827 8401 1 17 . 1 1 80 80 LEU CA C 73 54.700 54.700 55.709 -1.009 17827 8402 1 17 . 1 1 80 80 LEU CB C 73 42.170 42.170 42.615 -0.445 17827 8403 1 17 . 1 1 80 80 LEU H H 73 7.280 7.280 8.267 -0.987 17827 8404 1 17 . 1 1 81 81 LYS N N 74 119.766 119.766 118.111 1.655 17827 8405 1 17 . 1 1 81 81 LYS HA H 74 4.435 4.435 4.363 0.072 17827 8406 1 17 . 1 1 81 81 LYS C C 74 176.601 176.601 177.312 -0.711 17827 8407 1 17 . 1 1 81 81 LYS CA C 74 54.660 54.660 56.601 -1.941 17827 8408 1 17 . 1 1 81 81 LYS CB C 74 28.540 28.540 33.469 -4.929 17827 8409 1 17 . 1 1 81 81 LYS H H 74 7.865 7.865 7.754 0.111 17827 8410 1 17 . 1 1 82 82 THR N N 75 115.636 115.636 114.466 1.170 17827 8411 1 17 . 1 1 82 82 THR HA H 75 3.800 3.800 4.386 -0.586 17827 8412 1 17 . 1 1 82 82 THR C C 75 174.806 174.806 175.686 -0.880 17827 8413 1 17 . 1 1 82 82 THR CA C 75 64.650 64.650 64.235 0.415 17827 8414 1 17 . 1 1 82 82 THR CB C 75 68.260 68.260 68.971 -0.711 17827 8415 1 17 . 1 1 82 82 THR H H 75 7.910 7.910 8.724 -0.814 17827 8416 1 17 . 1 1 83 83 HIS N N 76 116.767 116.767 119.695 -2.928 17827 8417 1 17 . 1 1 83 83 HIS C C 76 176.370 176.370 174.725 1.645 17827 8418 1 17 . 1 1 83 83 HIS CB C 76 30.210 30.210 29.604 0.606 17827 8419 1 17 . 1 1 83 83 HIS H H 76 8.965 8.965 8.604 0.361 17827 8420 1 17 . 1 1 84 84 TRP N N 77 123.905 123.905 119.436 4.469 17827 8421 1 17 . 1 1 84 84 TRP C C 77 175.584 175.584 175.342 0.242 17827 8422 1 17 . 1 1 84 84 TRP CB C 77 30.390 30.390 29.219 1.171 17827 8423 1 17 . 1 1 84 84 TRP H H 77 7.635 7.635 7.538 0.097 17827 8424 1 17 . 1 1 85 85 THR N N 78 108.440 108.440 115.117 -6.677 17827 8425 1 17 . 1 1 85 85 THR HA H 78 4.900 4.900 4.272 0.628 17827 8426 1 17 . 1 1 85 85 THR C C 78 175.691 175.691 176.145 -0.454 17827 8427 1 17 . 1 1 85 85 THR CA C 78 59.500 59.500 63.856 -4.356 17827 8428 1 17 . 1 1 85 85 THR CB C 78 70.600 70.600 69.668 0.932 17827 8429 1 17 . 1 1 85 85 THR H H 78 7.030 7.030 7.762 -0.732 17827 8430 1 17 . 1 1 86 86 LEU N N 79 119.766 119.766 121.056 -1.290 17827 8431 1 17 . 1 1 86 86 LEU HA H 79 4.040 4.040 4.073 -0.033 17827 8432 1 17 . 1 1 86 86 LEU C C 79 179.734 179.734 179.116 0.618 17827 8433 1 17 . 1 1 86 86 LEU CA C 79 58.750 58.750 59.211 -0.461 17827 8434 1 17 . 1 1 86 86 LEU CB C 79 40.450 40.450 40.793 -0.343 17827 8435 1 17 . 1 1 86 86 LEU H H 79 8.045 8.045 8.697 -0.652 17827 8436 1 17 . 1 1 87 87 ASP N N 80 118.407 118.407 119.998 -1.591 17827 8437 1 17 . 1 1 87 87 ASP HA H 80 4.440 4.440 4.395 0.045 17827 8438 1 17 . 1 1 87 87 ASP C C 80 179.152 179.152 178.733 0.419 17827 8439 1 17 . 1 1 87 87 ASP CA C 80 57.320 57.320 57.122 0.198 17827 8440 1 17 . 1 1 87 87 ASP CB C 80 40.320 40.320 40.481 -0.161 17827 8441 1 17 . 1 1 87 87 ASP H H 80 8.935 8.935 8.852 0.083 17827 8442 1 17 . 1 1 88 88 LYS N N 81 123.300 123.300 120.251 3.049 17827 8443 1 17 . 1 1 88 88 LYS HA H 81 3.700 3.700 3.902 -0.202 17827 8444 1 17 . 1 1 88 88 LYS C C 81 178.721 178.721 178.356 0.365 17827 8445 1 17 . 1 1 88 88 LYS CA C 81 59.020 59.020 58.922 0.098 17827 8446 1 17 . 1 1 88 88 LYS CB C 81 31.640 31.640 31.950 -0.310 17827 8447 1 17 . 1 1 88 88 LYS H H 81 8.055 8.055 8.093 -0.038 17827 8448 1 17 . 1 1 89 89 TYR N N 82 115.690 115.690 117.505 -1.815 17827 8449 1 17 . 1 1 89 89 TYR HA H 82 4.580 4.580 4.717 -0.137 17827 8450 1 17 . 1 1 89 89 TYR C C 82 176.164 176.164 175.624 0.540 17827 8451 1 17 . 1 1 89 89 TYR CA C 82 61.750 61.750 60.177 1.573 17827 8452 1 17 . 1 1 89 89 TYR CB C 82 40.750 40.750 39.194 1.556 17827 8453 1 17 . 1 1 89 89 TYR H H 82 7.730 7.730 7.935 -0.205 17827 8454 1 17 . 1 1 90 90 GLY N N 83 108.212 108.212 106.876 1.336 17827 8455 1 17 . 1 1 90 90 GLY C C 83 174.555 174.555 174.457 0.098 17827 8456 1 17 . 1 1 90 90 GLY CA C 83 45.510 45.510 45.082 0.428 17827 8457 1 17 . 1 1 90 90 GLY H H 83 8.030 8.030 7.990 0.040 17827 8458 1 17 . 1 1 91 91 ILE N N 84 122.960 122.960 120.569 2.391 17827 8459 1 17 . 1 1 91 91 ILE HA H 84 3.370 3.370 4.229 -0.859 17827 8460 1 17 . 1 1 91 91 ILE C C 84 173.611 173.611 174.869 -1.258 17827 8461 1 17 . 1 1 91 91 ILE CA C 84 61.700 61.700 61.198 0.502 17827 8462 1 17 . 1 1 91 91 ILE CB C 84 37.610 37.610 39.326 -1.716 17827 8463 1 17 . 1 1 91 91 ILE H H 84 7.850 7.850 7.931 -0.081 17827 8464 1 17 . 1 1 92 92 GLN N N 85 125.429 125.429 124.081 1.348 17827 8465 1 17 . 1 1 92 92 GLN HA H 85 3.880 3.880 3.715 0.165 17827 8466 1 17 . 1 1 92 92 GLN C C 85 174.756 174.756 175.868 -1.112 17827 8467 1 17 . 1 1 92 92 GLN CA C 85 53.720 53.720 54.637 -0.917 17827 8468 1 17 . 1 1 92 92 GLN CB C 85 31.150 31.150 30.974 0.176 17827 8469 1 17 . 1 1 92 92 GLN H H 85 7.700 7.700 8.121 -0.421 17827 8470 1 17 . 1 1 93 93 ALA N N 86 118.217 118.217 120.973 -2.756 17827 8471 1 17 . 1 1 93 93 ALA HA H 86 3.800 3.800 4.347 -0.547 17827 8472 1 17 . 1 1 93 93 ALA C C 86 177.201 177.201 177.433 -0.232 17827 8473 1 17 . 1 1 93 93 ALA CA C 86 54.080 54.080 53.416 0.664 17827 8474 1 17 . 1 1 93 93 ALA CB C 86 18.410 18.410 18.739 -0.329 17827 8475 1 17 . 1 1 93 93 ALA H H 86 6.886 6.886 8.070 -1.184 17827 8476 1 17 . 1 1 94 94 ASP N N 87 113.647 113.647 117.344 -3.697 17827 8477 1 17 . 1 1 94 94 ASP HA H 87 4.420 4.420 4.526 -0.106 17827 8478 1 17 . 1 1 94 94 ASP C C 87 176.218 176.218 175.228 0.990 17827 8479 1 17 . 1 1 94 94 ASP CA C 87 54.060 54.060 53.884 0.176 17827 8480 1 17 . 1 1 94 94 ASP CB C 87 39.600 39.600 40.954 -1.354 17827 8481 1 17 . 1 1 94 94 ASP H H 87 8.223 8.223 7.994 0.229 17827 8482 1 17 . 1 1 95 95 ALA N N 88 124.145 124.145 122.648 1.497 17827 8483 1 17 . 1 1 95 95 ALA HA H 88 4.306 4.306 4.510 -0.204 17827 8484 1 17 . 1 1 95 95 ALA C C 88 176.630 176.630 176.005 0.625 17827 8485 1 17 . 1 1 95 95 ALA CA C 88 53.320 53.320 51.388 1.933 17827 8486 1 17 . 1 1 95 95 ALA CB C 88 20.020 20.020 19.457 0.563 17827 8487 1 17 . 1 1 95 95 ALA H H 88 7.941 7.941 7.034 0.907 17827 8488 1 17 . 1 1 96 96 LYS N N 89 120.897 120.897 126.167 -5.270 17827 8489 1 17 . 1 1 96 96 LYS HA H 89 4.826 4.826 4.677 0.149 17827 8490 1 17 . 1 1 96 96 LYS C C 89 176.161 176.161 175.864 0.297 17827 8491 1 17 . 1 1 96 96 LYS CA C 89 54.736 54.736 54.842 -0.106 17827 8492 1 17 . 1 1 96 96 LYS CB C 89 32.390 32.390 32.016 0.374 17827 8493 1 17 . 1 1 96 96 LYS H H 89 8.500 8.500 8.400 0.100 17827 8494 1 17 . 1 1 97 97 LEU N N 90 122.960 122.960 124.475 -1.515 17827 8495 1 17 . 1 1 97 97 LEU HA H 90 5.075 5.075 4.053 1.022 17827 8496 1 17 . 1 1 97 97 LEU C C 90 176.394 176.394 176.295 0.099 17827 8497 1 17 . 1 1 97 97 LEU CA C 90 53.060 53.060 54.827 -1.767 17827 8498 1 17 . 1 1 97 97 LEU CB C 90 44.850 44.850 42.840 2.010 17827 8499 1 17 . 1 1 97 97 LEU H H 90 8.566 8.566 8.460 0.106 17827 8500 1 17 . 1 1 98 98 GLN N N 91 119.538 119.538 114.478 5.060 17827 8501 1 17 . 1 1 98 98 GLN HA H 91 5.710 5.710 4.864 0.846 17827 8502 1 17 . 1 1 98 98 GLN C C 91 174.144 174.144 174.571 -0.427 17827 8503 1 17 . 1 1 98 98 GLN CA C 91 54.360 54.360 54.544 -0.184 17827 8504 1 17 . 1 1 98 98 GLN CB C 91 32.290 32.290 32.672 -0.382 17827 8505 1 17 . 1 1 98 98 GLN H H 91 9.060 9.060 7.893 1.167 17827 8506 1 17 . 1 1 99 99 PHE N N 92 125.674 125.674 120.391 5.283 17827 8507 1 17 . 1 1 99 99 PHE HA H 92 5.700 5.700 5.336 0.364 17827 8508 1 17 . 1 1 99 99 PHE C C 92 174.537 174.537 174.060 0.477 17827 8509 1 17 . 1 1 99 99 PHE CA C 92 54.190 54.190 56.628 -2.438 17827 8510 1 17 . 1 1 99 99 PHE CB C 92 41.080 41.080 43.728 -2.648 17827 8511 1 17 . 1 1 99 99 PHE H H 92 9.290 9.290 9.715 -0.425 17827 8512 1 17 . 1 1 100 100 THR N N 93 124.543 124.543 118.148 6.395 17827 8513 1 17 . 1 1 100 100 THR HA H 93 5.100 5.100 5.104 -0.004 17827 8514 1 17 . 1 1 100 100 THR C C 93 180.164 180.164 171.982 8.182 17827 8515 1 17 . 1 1 100 100 THR CA C 93 58.830 58.830 58.842 -0.012 17827 8516 1 17 . 1 1 100 100 THR CB C 93 73.610 73.610 71.112 2.498 17827 8517 1 17 . 1 1 100 100 THR H H 93 8.945 8.945 8.763 0.182 17827 8518 1 18 . 1 1 9 9 ALA N N 2 124.336 124.336 122.507 1.829 17827 8519 1 18 . 1 1 9 9 ALA HA H 2 4.210 4.210 4.543 -0.333 17827 8520 1 18 . 1 1 9 9 ALA C C 2 177.598 177.598 176.901 0.697 17827 8521 1 18 . 1 1 9 9 ALA CA C 2 52.440 52.440 51.808 0.632 17827 8522 1 18 . 1 1 9 9 ALA CB C 2 19.030 19.030 18.801 0.229 17827 8523 1 18 . 1 1 9 9 ALA H H 2 8.018 8.018 8.225 -0.207 17827 8524 1 18 . 1 1 10 10 LEU N N 3 121.125 121.125 121.523 -0.398 17827 8525 1 18 . 1 1 10 10 LEU HA H 3 4.210 4.210 4.136 0.074 17827 8526 1 18 . 1 1 10 10 LEU C C 3 177.094 177.094 177.249 -0.155 17827 8527 1 18 . 1 1 10 10 LEU CA C 3 55.320 55.320 55.039 0.281 17827 8528 1 18 . 1 1 10 10 LEU CB C 3 42.170 42.170 41.985 0.185 17827 8529 1 18 . 1 1 10 10 LEU H H 3 8.057 8.057 8.077 -0.020 17827 8530 1 18 . 1 1 11 11 ASP N N 4 119.766 119.766 117.153 2.613 17827 8531 1 18 . 1 1 11 11 ASP HA H 4 4.475 4.475 4.377 0.098 17827 8532 1 18 . 1 1 11 11 ASP C C 4 176.509 176.509 177.850 -1.341 17827 8533 1 18 . 1 1 11 11 ASP CA C 4 54.550 54.550 55.094 -0.544 17827 8534 1 18 . 1 1 11 11 ASP CB C 4 40.950 40.950 40.409 0.541 17827 8535 1 18 . 1 1 11 11 ASP H H 4 8.145 8.145 8.254 -0.109 17827 8536 1 18 . 1 1 12 12 GLY N N 5 108.440 108.440 106.779 1.661 17827 8537 1 18 . 1 1 12 12 GLY C C 5 173.692 173.692 175.980 -2.288 17827 8538 1 18 . 1 1 12 12 GLY CA C 5 45.310 45.310 46.850 -1.540 17827 8539 1 18 . 1 1 12 12 GLY H H 5 8.110 8.110 8.905 -0.795 17827 8540 1 18 . 1 1 13 13 ILE N N 6 119.766 119.766 120.519 -0.753 17827 8541 1 18 . 1 1 13 13 ILE HA H 6 4.100 4.100 3.617 0.483 17827 8542 1 18 . 1 1 13 13 ILE C C 6 175.525 175.525 177.706 -2.181 17827 8543 1 18 . 1 1 13 13 ILE CA C 6 60.710 60.710 63.014 -2.304 17827 8544 1 18 . 1 1 13 13 ILE CB C 6 38.430 38.430 37.111 1.319 17827 8545 1 18 . 1 1 13 13 ILE H H 6 7.790 7.790 7.639 0.151 17827 8546 1 18 . 1 1 14 14 ARG N N 7 125.657 125.657 120.006 5.651 17827 8547 1 18 . 1 1 14 14 ARG HA H 7 4.210 4.210 4.152 0.058 17827 8548 1 18 . 1 1 14 14 ARG C C 7 175.810 175.810 176.320 -0.510 17827 8549 1 18 . 1 1 14 14 ARG CA C 7 55.640 55.640 58.142 -2.502 17827 8550 1 18 . 1 1 14 14 ARG CB C 7 30.990 30.990 30.771 0.219 17827 8551 1 18 . 1 1 14 14 ARG H H 7 8.410 8.410 7.867 0.543 17827 8552 1 18 . 1 1 15 15 MET N N 8 123.598 123.598 114.984 8.614 17827 8553 1 18 . 1 1 15 15 MET HA H 8 4.210 4.210 5.126 -0.916 17827 8554 1 18 . 1 1 15 15 MET C C 8 174.950 174.950 174.328 0.622 17827 8555 1 18 . 1 1 15 15 MET CA C 8 55.330 55.330 53.100 2.230 17827 8556 1 18 . 1 1 15 15 MET CB C 8 31.730 31.730 33.556 -1.826 17827 8557 1 18 . 1 1 15 15 MET H H 8 8.495 8.495 7.931 0.564 17827 8558 1 18 . 1 1 16 16 PRO HA H 9 4.290 4.290 4.382 -0.092 17827 8559 1 18 . 1 1 16 16 PRO C C 9 176.228 176.228 176.463 -0.235 17827 8560 1 18 . 1 1 16 16 PRO CA C 9 63.370 63.370 64.730 -1.360 17827 8561 1 18 . 1 1 16 16 PRO CB C 9 31.820 31.820 30.882 0.938 17827 8562 1 18 . 1 1 17 17 ASP N N 10 117.952 117.952 116.346 1.606 17827 8563 1 18 . 1 1 17 17 ASP HA H 10 4.420 4.420 4.553 -0.133 17827 8564 1 18 . 1 1 17 17 ASP C C 10 176.714 176.714 176.455 0.259 17827 8565 1 18 . 1 1 17 17 ASP CA C 10 54.130 54.130 54.021 0.109 17827 8566 1 18 . 1 1 17 17 ASP CB C 10 40.430 40.430 40.948 -0.518 17827 8567 1 18 . 1 1 17 17 ASP H H 10 8.076 8.076 7.840 0.236 17827 8568 1 18 . 1 1 18 18 GLY N N 11 108.663 108.663 106.117 2.546 17827 8569 1 18 . 1 1 18 18 GLY C C 11 173.819 173.819 174.840 -1.021 17827 8570 1 18 . 1 1 18 18 GLY CA C 11 45.300 45.300 45.392 -0.092 17827 8571 1 18 . 1 1 18 18 GLY H H 11 8.255 8.255 7.513 0.742 17827 8572 1 18 . 1 1 19 19 CYS N N 12 118.179 118.179 119.116 -0.937 17827 8573 1 18 . 1 1 19 19 CYS HA H 12 4.550 4.550 4.236 0.314 17827 8574 1 18 . 1 1 19 19 CYS C C 12 174.073 174.073 174.122 -0.049 17827 8575 1 18 . 1 1 19 19 CYS CA C 12 58.420 58.420 61.922 -3.502 17827 8576 1 18 . 1 1 19 19 CYS CB C 12 28.400 28.400 27.681 0.719 17827 8577 1 18 . 1 1 19 19 CYS H H 12 7.850 7.850 8.381 -0.531 17827 8578 1 18 . 1 1 20 20 TYR N N 13 120.897 120.897 117.613 3.284 17827 8579 1 18 . 1 1 20 20 TYR HA H 13 4.550 4.550 4.531 0.019 17827 8580 1 18 . 1 1 20 20 TYR C C 13 176.748 176.748 174.188 2.560 17827 8581 1 18 . 1 1 20 20 TYR CA C 13 58.470 58.470 57.313 1.157 17827 8582 1 18 . 1 1 20 20 TYR CB C 13 39.210 39.210 39.654 -0.444 17827 8583 1 18 . 1 1 20 20 TYR H H 13 8.550 8.550 7.661 0.889 17827 8584 1 18 . 1 1 21 21 ALA N N 14 124.750 124.750 122.669 2.081 17827 8585 1 18 . 1 1 21 21 ALA HA H 14 4.190 4.190 4.431 -0.241 17827 8586 1 18 . 1 1 21 21 ALA C C 14 177.181 177.181 178.091 -0.910 17827 8587 1 18 . 1 1 21 21 ALA CA C 14 53.530 53.530 52.456 1.075 17827 8588 1 18 . 1 1 21 21 ALA CB C 14 18.630 18.630 19.811 -1.181 17827 8589 1 18 . 1 1 21 21 ALA H H 14 8.615 8.615 8.284 0.331 17827 8590 1 18 . 1 1 22 22 ASP N N 15 117.500 117.500 120.339 -2.839 17827 8591 1 18 . 1 1 22 22 ASP HA H 15 4.480 4.480 4.548 -0.068 17827 8592 1 18 . 1 1 22 22 ASP C C 15 176.708 176.708 177.708 -1.000 17827 8593 1 18 . 1 1 22 22 ASP CA C 15 53.500 53.500 54.328 -0.828 17827 8594 1 18 . 1 1 22 22 ASP CB C 15 40.730 40.730 40.834 -0.104 17827 8595 1 18 . 1 1 22 22 ASP H H 15 7.960 7.960 8.468 -0.508 17827 8596 1 18 . 1 1 23 23 GLY N N 16 108.891 108.891 107.567 1.324 17827 8597 1 18 . 1 1 23 23 GLY C C 16 174.373 174.373 173.564 0.809 17827 8598 1 18 . 1 1 23 23 GLY CA C 16 45.370 45.370 46.302 -0.932 17827 8599 1 18 . 1 1 23 23 GLY H H 16 8.344 8.344 8.285 0.059 17827 8600 1 18 . 1 1 24 24 THR N N 17 110.929 110.929 107.831 3.098 17827 8601 1 18 . 1 1 24 24 THR HA H 17 4.640 4.640 4.454 0.186 17827 8602 1 18 . 1 1 24 24 THR C C 17 173.620 173.620 172.460 1.160 17827 8603 1 18 . 1 1 24 24 THR CA C 17 60.540 60.540 60.025 0.515 17827 8604 1 18 . 1 1 24 24 THR CB C 17 72.100 72.100 71.056 1.044 17827 8605 1 18 . 1 1 24 24 THR H H 17 7.850 7.850 7.168 0.682 17827 8606 1 18 . 1 1 25 25 TRP N N 18 117.728 117.728 117.557 0.171 17827 8607 1 18 . 1 1 25 25 TRP HA H 18 4.945 4.945 4.958 -0.013 17827 8608 1 18 . 1 1 25 25 TRP C C 18 174.164 174.164 173.954 0.210 17827 8609 1 18 . 1 1 25 25 TRP CA C 18 54.620 54.620 56.186 -1.566 17827 8610 1 18 . 1 1 25 25 TRP CB C 18 30.650 30.650 30.127 0.523 17827 8611 1 18 . 1 1 25 25 TRP H H 18 8.640 8.640 7.529 1.111 17827 8612 1 18 . 1 1 26 26 GLU N N 19 117.728 117.728 118.237 -0.509 17827 8613 1 18 . 1 1 26 26 GLU HA H 19 4.851 4.851 4.927 -0.076 17827 8614 1 18 . 1 1 26 26 GLU C C 19 174.786 174.786 174.831 -0.045 17827 8615 1 18 . 1 1 26 26 GLU CA C 19 55.710 55.710 54.826 0.884 17827 8616 1 18 . 1 1 26 26 GLU CB C 19 31.500 31.500 32.471 -0.971 17827 8617 1 18 . 1 1 26 26 GLU H H 19 8.744 8.744 8.492 0.252 17827 8618 1 18 . 1 1 27 27 LEU N N 20 126.668 126.668 119.523 7.145 17827 8619 1 18 . 1 1 27 27 LEU HA H 20 4.880 4.880 4.821 0.059 17827 8620 1 18 . 1 1 27 27 LEU C C 20 175.123 175.123 175.458 -0.335 17827 8621 1 18 . 1 1 27 27 LEU CA C 20 53.252 53.252 53.597 -0.345 17827 8622 1 18 . 1 1 27 27 LEU CB C 20 45.280 45.280 46.721 -1.441 17827 8623 1 18 . 1 1 27 27 LEU H H 20 8.980 8.980 8.837 0.143 17827 8624 1 18 . 1 1 28 28 SER N N 21 121.804 121.804 117.337 4.467 17827 8625 1 18 . 1 1 28 28 SER HA H 21 4.894 4.894 5.054 -0.160 17827 8626 1 18 . 1 1 28 28 SER C C 21 173.483 173.483 173.009 0.474 17827 8627 1 18 . 1 1 28 28 SER CA C 21 57.880 57.880 57.355 0.525 17827 8628 1 18 . 1 1 28 28 SER CB C 21 63.920 63.920 64.791 -0.871 17827 8629 1 18 . 1 1 28 28 SER H H 21 8.785 8.785 8.633 0.152 17827 8630 1 18 . 1 1 29 29 VAL N N 22 125.881 125.881 122.931 2.950 17827 8631 1 18 . 1 1 29 29 VAL HA H 22 4.370 4.370 4.523 -0.153 17827 8632 1 18 . 1 1 29 29 VAL C C 22 173.953 173.953 175.097 -1.144 17827 8633 1 18 . 1 1 29 29 VAL CA C 22 60.440 60.440 60.550 -0.110 17827 8634 1 18 . 1 1 29 29 VAL CB C 22 34.350 34.350 36.116 -1.766 17827 8635 1 18 . 1 1 29 29 VAL H H 22 8.865 8.865 8.304 0.561 17827 8636 1 18 . 1 1 30 30 HIS N N 23 126.560 126.560 123.285 3.275 17827 8637 1 18 . 1 1 30 30 HIS HA H 23 5.220 5.220 4.794 0.426 17827 8638 1 18 . 1 1 30 30 HIS C C 23 174.596 174.596 174.235 0.361 17827 8639 1 18 . 1 1 30 30 HIS CA C 23 55.250 55.250 55.370 -0.120 17827 8640 1 18 . 1 1 30 30 HIS CB C 23 30.550 30.550 33.118 -2.568 17827 8641 1 18 . 1 1 30 30 HIS H H 23 8.810 8.810 8.584 0.226 17827 8642 1 18 . 1 1 31 31 VAL N N 24 130.587 130.587 126.959 3.628 17827 8643 1 18 . 1 1 31 31 VAL HA H 24 5.230 5.230 4.543 0.687 17827 8644 1 18 . 1 1 31 31 VAL C C 24 177.426 177.426 176.664 0.762 17827 8645 1 18 . 1 1 31 31 VAL CA C 24 55.530 55.530 62.800 -7.270 17827 8646 1 18 . 1 1 31 31 VAL CB C 24 31.040 31.040 31.253 -0.213 17827 8647 1 18 . 1 1 31 31 VAL H H 24 9.043 9.043 8.534 0.509 17827 8648 1 18 . 1 1 32 32 THR N N 25 122.484 122.484 122.450 0.034 17827 8649 1 18 . 1 1 32 32 THR HA H 25 3.970 3.970 4.290 -0.320 17827 8650 1 18 . 1 1 32 32 THR C C 25 177.437 177.437 176.045 1.392 17827 8651 1 18 . 1 1 32 32 THR CA C 25 66.470 66.470 64.747 1.723 17827 8652 1 18 . 1 1 32 32 THR CB C 25 68.220 68.220 68.988 -0.768 17827 8653 1 18 . 1 1 32 32 THR H H 25 8.245 8.245 8.599 -0.354 17827 8654 1 18 . 1 1 34 34 VAL N N 27 114.090 114.090 115.653 -1.563 17827 8655 1 18 . 1 1 34 34 VAL HA H 27 4.500 4.500 4.129 0.371 17827 8656 1 18 . 1 1 34 34 VAL CA C 27 54.220 54.220 62.519 -8.299 17827 8657 1 18 . 1 1 34 34 VAL CB C 27 27.060 27.060 33.231 -6.171 17827 8658 1 18 . 1 1 34 34 VAL H H 27 6.977 6.977 7.437 -0.460 17827 8659 1 18 . 1 1 35 35 ASN N N 28 116.829 116.829 116.460 0.369 17827 8660 1 18 . 1 1 35 35 ASN HA H 28 4.299 4.299 4.465 -0.166 17827 8661 1 18 . 1 1 35 35 ASN CA C 28 53.650 53.650 54.105 -0.455 17827 8662 1 18 . 1 1 35 35 ASN CB C 28 37.110 37.110 38.056 -0.946 17827 8663 1 18 . 1 1 35 35 ASN H H 28 7.897 7.897 7.998 -0.101 17827 8664 1 18 . 1 1 36 36 ARG N N 29 114.310 114.310 117.060 -2.750 17827 8665 1 18 . 1 1 36 36 ARG HA H 29 4.700 4.700 4.661 0.039 17827 8666 1 18 . 1 1 36 36 ARG C C 29 173.347 173.347 174.031 -0.684 17827 8667 1 18 . 1 1 36 36 ARG CA C 29 54.900 54.900 54.504 0.397 17827 8668 1 18 . 1 1 36 36 ARG CB C 29 34.700 34.700 32.516 2.184 17827 8669 1 18 . 1 1 36 36 ARG H H 29 6.787 6.787 7.607 -0.820 17827 8670 1 18 . 1 1 37 37 ASP N N 30 124.071 124.071 118.442 5.629 17827 8671 1 18 . 1 1 37 37 ASP HA H 30 5.475 5.475 4.592 0.883 17827 8672 1 18 . 1 1 37 37 ASP C C 30 175.354 175.354 174.540 0.814 17827 8673 1 18 . 1 1 37 37 ASP CA C 30 53.660 53.660 53.395 0.265 17827 8674 1 18 . 1 1 37 37 ASP CB C 30 42.260 42.260 42.880 -0.621 17827 8675 1 18 . 1 1 37 37 ASP H H 30 8.760 8.760 8.405 0.355 17827 8676 1 18 . 1 1 38 38 VAL N N 31 123.300 123.300 118.598 4.702 17827 8677 1 18 . 1 1 38 38 VAL HA H 31 4.270 4.270 4.518 -0.248 17827 8678 1 18 . 1 1 38 38 VAL C C 31 174.203 174.203 174.414 -0.211 17827 8679 1 18 . 1 1 38 38 VAL CA C 31 60.700 60.700 60.233 0.467 17827 8680 1 18 . 1 1 38 38 VAL CB C 31 34.620 34.620 36.390 -1.770 17827 8681 1 18 . 1 1 38 38 VAL H H 31 9.187 9.187 7.999 1.188 17827 8682 1 18 . 1 1 39 39 THR N N 32 119.766 119.766 112.882 6.884 17827 8683 1 18 . 1 1 39 39 THR HA H 32 5.095 5.095 4.931 0.164 17827 8684 1 18 . 1 1 39 39 THR C C 32 173.547 173.547 173.226 0.321 17827 8685 1 18 . 1 1 39 39 THR CA C 32 60.550 60.550 59.766 0.784 17827 8686 1 18 . 1 1 39 39 THR CB C 32 70.170 70.170 71.398 -1.228 17827 8687 1 18 . 1 1 39 39 THR H H 32 8.360 8.360 8.127 0.233 17827 8688 1 18 . 1 1 40 40 LEU N N 33 124.522 124.522 122.038 2.484 17827 8689 1 18 . 1 1 40 40 LEU HA H 33 4.590 4.590 4.652 -0.062 17827 8690 1 18 . 1 1 40 40 LEU C C 33 174.691 174.691 176.006 -1.315 17827 8691 1 18 . 1 1 40 40 LEU CA C 33 52.580 52.580 53.534 -0.954 17827 8692 1 18 . 1 1 40 40 LEU CB C 33 45.410 45.410 44.509 0.901 17827 8693 1 18 . 1 1 40 40 LEU H H 33 8.750 8.750 8.248 0.502 17827 8694 1 18 . 1 1 41 41 ARG N N 34 122.712 122.712 124.809 -2.097 17827 8695 1 18 . 1 1 41 41 ARG HA H 34 4.680 4.680 4.758 -0.078 17827 8696 1 18 . 1 1 41 41 ARG C C 34 175.700 175.700 174.625 1.075 17827 8697 1 18 . 1 1 41 41 ARG CA C 34 55.420 55.420 55.065 0.355 17827 8698 1 18 . 1 1 41 41 ARG CB C 34 29.500 29.500 29.510 -0.010 17827 8699 1 18 . 1 1 41 41 ARG H H 34 8.345 8.345 8.839 -0.494 17827 8700 1 18 . 1 1 42 42 VAL N N 35 117.728 117.728 116.798 0.930 17827 8701 1 18 . 1 1 42 42 VAL HA H 35 4.465 4.465 4.642 -0.177 17827 8702 1 18 . 1 1 42 42 VAL C C 35 173.184 173.184 173.701 -0.517 17827 8703 1 18 . 1 1 42 42 VAL CA C 35 58.670 58.670 58.996 -0.326 17827 8704 1 18 . 1 1 42 42 VAL CB C 35 36.050 36.050 34.993 1.057 17827 8705 1 18 . 1 1 42 42 VAL H H 35 8.640 8.640 7.811 0.829 17827 8706 1 18 . 1 1 43 43 THR N N 36 104.359 104.359 108.518 -4.159 17827 8707 1 18 . 1 1 43 43 THR HA H 36 4.660 4.660 2.504 2.156 17827 8708 1 18 . 1 1 43 43 THR C C 36 174.862 174.862 175.134 -0.272 17827 8709 1 18 . 1 1 43 43 THR CA C 36 59.010 59.010 59.270 -0.260 17827 8710 1 18 . 1 1 43 43 THR CB C 36 71.570 71.570 71.488 0.082 17827 8711 1 18 . 1 1 43 43 THR H H 36 6.220 6.220 7.965 -1.745 17827 8712 1 18 . 1 1 44 44 GLY N N 37 105.946 105.946 107.499 -1.553 17827 8713 1 18 . 1 1 44 44 GLY C C 37 173.394 173.394 174.759 -1.365 17827 8714 1 18 . 1 1 44 44 GLY CA C 37 46.830 46.830 46.931 -0.101 17827 8715 1 18 . 1 1 44 44 GLY H H 37 9.160 9.160 8.671 0.489 17827 8716 1 18 . 1 1 45 45 GLU N N 38 113.875 113.875 117.244 -3.369 17827 8717 1 18 . 1 1 45 45 GLU HA H 38 4.290 4.290 4.399 -0.109 17827 8718 1 18 . 1 1 45 45 GLU C C 38 176.167 176.167 176.639 -0.472 17827 8719 1 18 . 1 1 45 45 GLU CA C 38 55.500 55.500 55.995 -0.495 17827 8720 1 18 . 1 1 45 45 GLU CB C 38 30.950 30.950 30.024 0.926 17827 8721 1 18 . 1 1 45 45 GLU H H 38 7.500 7.500 7.260 0.240 17827 8722 1 18 . 1 1 46 46 VAL N N 39 121.577 121.577 122.640 -1.063 17827 8723 1 18 . 1 1 46 46 VAL HA H 39 3.820 3.820 4.056 -0.236 17827 8724 1 18 . 1 1 46 46 VAL C C 39 174.651 174.651 175.307 -0.656 17827 8725 1 18 . 1 1 46 46 VAL CA C 39 63.920 63.920 62.504 1.416 17827 8726 1 18 . 1 1 46 46 VAL CB C 39 31.590 31.590 32.916 -1.326 17827 8727 1 18 . 1 1 46 46 VAL H H 39 7.260 7.260 7.733 -0.473 17827 8728 1 18 . 1 1 47 47 HIS N N 40 123.391 123.391 125.933 -2.542 17827 8729 1 18 . 1 1 47 47 HIS HA H 40 5.212 5.212 4.550 0.662 17827 8730 1 18 . 1 1 47 47 HIS C C 40 177.440 177.440 176.718 0.722 17827 8731 1 18 . 1 1 47 47 HIS CA C 40 54.660 54.660 56.022 -1.362 17827 8732 1 18 . 1 1 47 47 HIS CB C 40 30.910 30.910 31.007 -0.097 17827 8733 1 18 . 1 1 47 47 HIS H H 40 8.285 8.285 8.483 -0.198 17827 8734 1 18 . 1 1 48 48 ILE N N 41 124.071 124.071 124.529 -0.458 17827 8735 1 18 . 1 1 48 48 ILE HA H 41 3.530 3.530 3.826 -0.296 17827 8736 1 18 . 1 1 48 48 ILE C C 41 178.941 178.941 177.699 1.242 17827 8737 1 18 . 1 1 48 48 ILE CA C 41 62.330 62.330 65.446 -3.116 17827 8738 1 18 . 1 1 48 48 ILE CB C 41 34.230 34.230 37.853 -3.623 17827 8739 1 18 . 1 1 48 48 ILE H H 41 8.863 8.863 7.777 1.086 17827 8740 1 18 . 1 1 49 49 GLY N N 42 106.853 106.853 104.369 2.484 17827 8741 1 18 . 1 1 49 49 GLY C C 42 175.669 175.669 175.400 0.269 17827 8742 1 18 . 1 1 49 49 GLY CA C 42 45.320 45.320 46.122 -0.802 17827 8743 1 18 . 1 1 49 49 GLY H H 42 9.720 9.720 8.669 1.051 17827 8744 1 18 . 1 1 50 50 GLY N N 43 109.571 109.571 109.045 0.526 17827 8745 1 18 . 1 1 50 50 GLY C C 43 175.847 175.847 175.531 0.316 17827 8746 1 18 . 1 1 50 50 GLY CA C 43 47.000 47.000 45.691 1.308 17827 8747 1 18 . 1 1 50 50 GLY H H 43 6.950 6.950 8.235 -1.285 17827 8748 1 18 . 1 1 51 51 VAL N N 44 123.163 123.163 124.740 -1.577 17827 8749 1 18 . 1 1 51 51 VAL HA H 44 3.115 3.115 3.757 -0.642 17827 8750 1 18 . 1 1 51 51 VAL C C 44 176.804 176.804 177.982 -1.178 17827 8751 1 18 . 1 1 51 51 VAL CA C 44 66.660 66.660 66.720 -0.060 17827 8752 1 18 . 1 1 51 51 VAL CB C 44 30.730 30.730 31.928 -1.198 17827 8753 1 18 . 1 1 51 51 VAL H H 44 7.860 7.860 8.693 -0.833 17827 8754 1 18 . 1 1 52 52 MET N N 45 115.913 115.913 117.833 -1.920 17827 8755 1 18 . 1 1 52 52 MET HA H 45 3.410 3.410 4.404 -0.994 17827 8756 1 18 . 1 1 52 52 MET C C 45 176.881 176.881 178.195 -1.314 17827 8757 1 18 . 1 1 52 52 MET CA C 45 59.830 59.830 59.733 0.097 17827 8758 1 18 . 1 1 52 52 MET CB C 45 32.310 32.310 31.936 0.374 17827 8759 1 18 . 1 1 52 52 MET H H 45 7.940 7.940 7.834 0.106 17827 8760 1 18 . 1 1 53 53 LEU N N 46 118.291 118.291 121.213 -2.922 17827 8761 1 18 . 1 1 53 53 LEU HA H 46 3.940 3.940 4.044 -0.104 17827 8762 1 18 . 1 1 53 53 LEU C C 46 179.178 179.178 179.155 0.023 17827 8763 1 18 . 1 1 53 53 LEU CA C 46 58.500 58.500 57.845 0.655 17827 8764 1 18 . 1 1 53 53 LEU CB C 46 41.930 41.930 41.109 0.821 17827 8765 1 18 . 1 1 53 53 LEU H H 46 7.550 7.550 7.658 -0.108 17827 8766 1 18 . 1 1 54 54 LYS N N 47 118.142 118.142 119.221 -1.079 17827 8767 1 18 . 1 1 54 54 LYS HA H 47 3.870 3.870 4.209 -0.339 17827 8768 1 18 . 1 1 54 54 LYS C C 47 178.616 178.616 179.278 -0.662 17827 8769 1 18 . 1 1 54 54 LYS CA C 47 57.980 57.980 59.139 -1.159 17827 8770 1 18 . 1 1 54 54 LYS CB C 47 32.320 32.320 32.122 0.198 17827 8771 1 18 . 1 1 54 54 LYS H H 47 7.665 7.665 8.622 -0.957 17827 8772 1 18 . 1 1 55 55 LEU N N 48 119.385 119.385 120.239 -0.854 17827 8773 1 18 . 1 1 55 55 LEU HA H 48 3.570 3.570 4.328 -0.758 17827 8774 1 18 . 1 1 55 55 LEU C C 48 177.405 177.405 177.879 -0.474 17827 8775 1 18 . 1 1 55 55 LEU CA C 48 57.790 57.790 57.782 0.008 17827 8776 1 18 . 1 1 55 55 LEU CB C 48 41.590 41.590 42.309 -0.720 17827 8777 1 18 . 1 1 55 55 LEU H H 48 7.975 7.975 7.676 0.299 17827 8778 1 18 . 1 1 56 56 VAL N N 49 116.141 116.141 118.801 -2.660 17827 8779 1 18 . 1 1 56 56 VAL HA H 49 2.990 2.990 3.725 -0.735 17827 8780 1 18 . 1 1 56 56 VAL C C 49 178.564 178.564 178.229 0.335 17827 8781 1 18 . 1 1 56 56 VAL CA C 49 66.310 66.310 66.487 -0.177 17827 8782 1 18 . 1 1 56 56 VAL CB C 49 31.300 31.300 31.452 -0.152 17827 8783 1 18 . 1 1 56 56 VAL H H 49 7.615 7.615 8.993 -1.378 17827 8784 1 18 . 1 1 57 57 GLU N N 50 118.631 118.631 117.737 0.894 17827 8785 1 18 . 1 1 57 57 GLU HA H 50 3.965 3.965 4.197 -0.232 17827 8786 1 18 . 1 1 57 57 GLU C C 50 178.030 178.030 178.102 -0.072 17827 8787 1 18 . 1 1 57 57 GLU CA C 50 58.500 58.500 58.588 -0.088 17827 8788 1 18 . 1 1 57 57 GLU CB C 50 29.610 29.610 29.698 -0.088 17827 8789 1 18 . 1 1 57 57 GLU H H 50 7.575 7.575 8.770 -1.195 17827 8790 1 18 . 1 1 58 58 LYS N N 51 117.053 117.053 118.490 -1.437 17827 8791 1 18 . 1 1 58 58 LYS HA H 51 4.130 4.130 4.055 0.075 17827 8792 1 18 . 1 1 58 58 LYS C C 51 176.956 176.956 178.694 -1.738 17827 8793 1 18 . 1 1 58 58 LYS CA C 51 56.660 56.660 58.712 -2.052 17827 8794 1 18 . 1 1 58 58 LYS CB C 51 32.660 32.660 32.798 -0.138 17827 8795 1 18 . 1 1 58 58 LYS H H 51 7.490 7.490 7.524 -0.034 17827 8796 1 18 . 1 1 59 59 LEU N N 52 119.460 119.460 117.874 1.586 17827 8797 1 18 . 1 1 59 59 LEU HA H 52 4.122 4.122 4.134 -0.012 17827 8798 1 18 . 1 1 59 59 LEU C C 52 176.645 176.645 177.412 -0.767 17827 8799 1 18 . 1 1 59 59 LEU CA C 52 56.660 56.660 56.916 -0.256 17827 8800 1 18 . 1 1 59 59 LEU CB C 52 42.700 42.700 41.714 0.986 17827 8801 1 18 . 1 1 59 59 LEU H H 52 7.470 7.470 7.888 -0.418 17827 8802 1 18 . 1 1 62 62 LYS C C 55 175.670 175.670 176.268 -0.598 17827 8803 1 18 . 1 1 63 63 LYS N N 56 122.430 122.430 121.393 1.037 17827 8804 1 18 . 1 1 63 63 LYS HA H 56 4.030 4.030 4.445 -0.415 17827 8805 1 18 . 1 1 63 63 LYS C C 56 172.850 172.850 175.847 -2.997 17827 8806 1 18 . 1 1 63 63 LYS CA C 56 54.530 54.530 56.038 -1.508 17827 8807 1 18 . 1 1 63 63 LYS CB C 56 34.440 34.440 33.407 1.033 17827 8808 1 18 . 1 1 63 63 LYS H H 56 7.245 7.245 8.044 -0.799 17827 8809 1 18 . 1 1 64 64 ASP N N 57 118.867 118.867 120.357 -1.490 17827 8810 1 18 . 1 1 64 64 ASP HA H 57 4.530 4.530 4.072 0.458 17827 8811 1 18 . 1 1 64 64 ASP C C 57 176.710 176.710 175.386 1.324 17827 8812 1 18 . 1 1 64 64 ASP CA C 57 52.500 52.500 53.656 -1.156 17827 8813 1 18 . 1 1 64 64 ASP CB C 57 40.320 40.320 40.833 -0.513 17827 8814 1 18 . 1 1 64 64 ASP H H 57 7.867 7.867 8.320 -0.453 17827 8815 1 18 . 1 1 65 65 TRP N N 58 128.827 128.827 121.614 7.213 17827 8816 1 18 . 1 1 65 65 TRP HA H 58 4.540 4.540 4.649 -0.109 17827 8817 1 18 . 1 1 65 65 TRP C C 58 178.390 178.390 177.260 1.130 17827 8818 1 18 . 1 1 65 65 TRP CA C 58 52.860 52.860 59.259 -6.399 17827 8819 1 18 . 1 1 65 65 TRP CB C 58 29.420 29.420 28.678 0.742 17827 8820 1 18 . 1 1 65 65 TRP H H 58 8.790 8.790 7.763 1.027 17827 8821 1 18 . 1 1 66 66 SER N N 59 117.724 117.724 114.897 2.827 17827 8822 1 18 . 1 1 66 66 SER HA H 59 4.143 4.143 4.447 -0.304 17827 8823 1 18 . 1 1 66 66 SER C C 59 174.471 174.471 175.097 -0.626 17827 8824 1 18 . 1 1 66 66 SER CA C 59 62.350 62.350 60.168 2.182 17827 8825 1 18 . 1 1 66 66 SER CB C 59 63.110 63.110 62.904 0.207 17827 8826 1 18 . 1 1 66 66 SER H H 59 8.637 8.637 8.087 0.550 17827 8827 1 18 . 1 1 67 67 ASP N N 60 121.042 121.042 120.661 0.381 17827 8828 1 18 . 1 1 67 67 ASP C C 60 176.206 176.206 176.774 -0.568 17827 8829 1 18 . 1 1 67 67 ASP CB C 60 42.560 42.560 40.874 1.686 17827 8830 1 18 . 1 1 67 67 ASP H H 60 8.895 8.895 8.551 0.344 17827 8831 1 18 . 1 1 68 68 HIS N N 61 121.519 121.519 116.580 4.939 17827 8832 1 18 . 1 1 68 68 HIS HA H 61 4.490 4.490 4.660 -0.170 17827 8833 1 18 . 1 1 68 68 HIS C C 61 174.546 174.546 174.422 0.124 17827 8834 1 18 . 1 1 68 68 HIS CA C 61 57.940 57.940 55.871 2.069 17827 8835 1 18 . 1 1 68 68 HIS CB C 61 39.410 39.410 31.353 8.057 17827 8836 1 18 . 1 1 68 68 HIS H H 61 7.958 7.958 7.360 0.598 17827 8837 1 18 . 1 1 69 69 ALA N N 62 122.256 122.256 117.911 4.345 17827 8838 1 18 . 1 1 69 69 ALA C C 62 175.294 175.294 174.622 0.672 17827 8839 1 18 . 1 1 69 69 ALA CB C 62 22.470 22.470 22.693 -0.223 17827 8840 1 18 . 1 1 69 69 ALA H H 62 8.575 8.575 8.764 -0.189 17827 8841 1 18 . 1 1 70 70 LEU N N 63 118.904 118.904 120.304 -1.400 17827 8842 1 18 . 1 1 70 70 LEU HA H 63 5.654 5.654 4.853 0.801 17827 8843 1 18 . 1 1 70 70 LEU C C 63 174.445 174.445 176.476 -2.031 17827 8844 1 18 . 1 1 70 70 LEU CA C 63 53.930 53.930 53.172 0.757 17827 8845 1 18 . 1 1 70 70 LEU CB C 63 44.300 44.300 41.913 2.387 17827 8846 1 18 . 1 1 70 70 LEU H H 63 9.150 9.150 8.763 0.387 17827 8847 1 18 . 1 1 71 71 TRP N N 64 125.367 125.367 128.367 -3.000 17827 8848 1 18 . 1 1 71 71 TRP C C 64 174.010 174.010 176.216 -2.206 17827 8849 1 18 . 1 1 71 71 TRP CB C 64 32.210 32.210 29.823 2.388 17827 8850 1 18 . 1 1 71 71 TRP H H 64 9.590 9.590 8.362 1.228 17827 8851 1 18 . 1 1 72 72 TRP N N 65 129.982 129.982 126.244 3.738 17827 8852 1 18 . 1 1 72 72 TRP HA H 65 4.980 4.980 4.871 0.109 17827 8853 1 18 . 1 1 72 72 TRP C C 65 174.335 174.335 176.043 -1.708 17827 8854 1 18 . 1 1 72 72 TRP CA C 65 51.440 51.440 53.160 -1.720 17827 8855 1 18 . 1 1 72 72 TRP CB C 65 30.490 30.490 30.032 0.458 17827 8856 1 18 . 1 1 72 72 TRP H H 65 8.277 8.277 7.934 0.343 17827 8857 1 18 . 1 1 73 73 GLU N N 66 129.112 129.112 123.428 5.684 17827 8858 1 18 . 1 1 73 73 GLU HA H 66 3.300 3.300 3.684 -0.384 17827 8859 1 18 . 1 1 73 73 GLU C C 66 178.595 178.595 177.619 0.976 17827 8860 1 18 . 1 1 73 73 GLU CA C 66 59.920 59.920 58.627 1.293 17827 8861 1 18 . 1 1 73 73 GLU CB C 66 29.060 29.060 28.393 0.667 17827 8862 1 18 . 1 1 73 73 GLU H H 66 8.969 8.969 8.011 0.958 17827 8863 1 18 . 1 1 74 74 LYS N N 67 117.492 117.492 118.118 -0.626 17827 8864 1 18 . 1 1 74 74 LYS HA H 67 3.702 3.702 3.640 0.062 17827 8865 1 18 . 1 1 74 74 LYS C C 67 176.361 176.361 176.852 -0.491 17827 8866 1 18 . 1 1 74 74 LYS CA C 67 58.660 58.660 58.077 0.583 17827 8867 1 18 . 1 1 74 74 LYS CB C 67 32.020 32.020 31.343 0.677 17827 8868 1 18 . 1 1 74 74 LYS H H 67 7.860 7.860 7.540 0.320 17827 8869 1 18 . 1 1 75 75 LYS N N 68 121.233 121.233 114.079 7.154 17827 8870 1 18 . 1 1 75 75 LYS HA H 68 3.935 3.935 4.158 -0.223 17827 8871 1 18 . 1 1 75 75 LYS C C 68 174.183 174.183 175.210 -1.027 17827 8872 1 18 . 1 1 75 75 LYS CA C 68 53.400 53.400 54.649 -1.249 17827 8873 1 18 . 1 1 75 75 LYS CB C 68 32.200 32.200 33.546 -1.346 17827 8874 1 18 . 1 1 75 75 LYS H H 68 7.500 7.500 6.424 1.076 17827 8875 1 18 . 1 1 76 76 ARG N N 69 121.125 121.125 117.845 3.280 17827 8876 1 18 . 1 1 76 76 ARG HA H 69 2.890 2.890 3.217 -0.327 17827 8877 1 18 . 1 1 76 76 ARG C C 69 173.984 173.984 174.151 -0.167 17827 8878 1 18 . 1 1 76 76 ARG CA C 69 56.316 56.316 56.258 0.058 17827 8879 1 18 . 1 1 76 76 ARG CB C 69 27.090 27.090 26.325 0.765 17827 8880 1 18 . 1 1 76 76 ARG H H 69 7.500 7.500 7.697 -0.197 17827 8881 1 18 . 1 1 77 77 THR N N 70 110.478 110.478 112.537 -2.059 17827 8882 1 18 . 1 1 77 77 THR HA H 70 4.650 4.650 4.252 0.398 17827 8883 1 18 . 1 1 77 77 THR C C 70 171.846 171.846 171.892 -0.046 17827 8884 1 18 . 1 1 77 77 THR CA C 70 61.630 61.630 59.611 2.019 17827 8885 1 18 . 1 1 77 77 THR CB C 70 72.210 72.210 70.781 1.429 17827 8886 1 18 . 1 1 77 77 THR H H 70 6.280 6.280 7.746 -1.466 17827 8887 1 18 . 1 1 78 78 TRP N N 71 127.244 127.244 118.617 8.627 17827 8888 1 18 . 1 1 78 78 TRP HA H 71 4.750 4.750 5.490 -0.740 17827 8889 1 18 . 1 1 78 78 TRP C C 71 177.303 177.303 175.551 1.752 17827 8890 1 18 . 1 1 78 78 TRP CA C 71 56.240 56.240 55.373 0.867 17827 8891 1 18 . 1 1 78 78 TRP CB C 71 30.500 30.500 31.585 -1.085 17827 8892 1 18 . 1 1 78 78 TRP H H 71 8.795 8.795 8.300 0.495 17827 8893 1 18 . 1 1 79 79 LEU N N 72 125.202 125.202 122.955 2.247 17827 8894 1 18 . 1 1 79 79 LEU HA H 72 4.500 4.500 4.614 -0.114 17827 8895 1 18 . 1 1 79 79 LEU C C 72 175.667 175.667 176.693 -1.026 17827 8896 1 18 . 1 1 79 79 LEU CA C 72 52.510 52.510 54.305 -1.795 17827 8897 1 18 . 1 1 79 79 LEU CB C 72 38.240 38.240 41.338 -3.098 17827 8898 1 18 . 1 1 79 79 LEU H H 72 9.175 9.175 8.406 0.769 17827 8899 1 18 . 1 1 80 80 LEU N N 73 119.170 119.170 123.248 -4.078 17827 8900 1 18 . 1 1 80 80 LEU HA H 73 4.380 4.380 4.527 -0.147 17827 8901 1 18 . 1 1 80 80 LEU C C 73 178.139 178.139 176.914 1.225 17827 8902 1 18 . 1 1 80 80 LEU CA C 73 54.700 54.700 55.019 -0.319 17827 8903 1 18 . 1 1 80 80 LEU CB C 73 42.170 42.170 42.421 -0.251 17827 8904 1 18 . 1 1 80 80 LEU H H 73 7.280 7.280 8.353 -1.073 17827 8905 1 18 . 1 1 81 81 LYS N N 74 119.766 119.766 119.450 0.316 17827 8906 1 18 . 1 1 81 81 LYS HA H 74 4.435 4.435 4.169 0.266 17827 8907 1 18 . 1 1 81 81 LYS C C 74 176.601 176.601 176.084 0.517 17827 8908 1 18 . 1 1 81 81 LYS CA C 74 54.660 54.660 56.505 -1.845 17827 8909 1 18 . 1 1 81 81 LYS CB C 74 28.540 28.540 32.915 -4.375 17827 8910 1 18 . 1 1 81 81 LYS H H 74 7.865 7.865 7.640 0.225 17827 8911 1 18 . 1 1 82 82 THR N N 75 115.636 115.636 114.835 0.801 17827 8912 1 18 . 1 1 82 82 THR HA H 75 3.800 3.800 4.370 -0.570 17827 8913 1 18 . 1 1 82 82 THR C C 75 174.806 174.806 176.176 -1.370 17827 8914 1 18 . 1 1 82 82 THR CA C 75 64.650 64.650 64.114 0.536 17827 8915 1 18 . 1 1 82 82 THR CB C 75 68.260 68.260 68.975 -0.715 17827 8916 1 18 . 1 1 82 82 THR H H 75 7.910 7.910 8.403 -0.493 17827 8917 1 18 . 1 1 83 83 HIS N N 76 116.767 116.767 119.747 -2.980 17827 8918 1 18 . 1 1 83 83 HIS C C 76 176.370 176.370 176.405 -0.035 17827 8919 1 18 . 1 1 83 83 HIS CB C 76 30.210 30.210 29.335 0.875 17827 8920 1 18 . 1 1 83 83 HIS H H 76 8.965 8.965 8.370 0.595 17827 8921 1 18 . 1 1 84 84 TRP N N 77 123.905 123.905 120.862 3.043 17827 8922 1 18 . 1 1 84 84 TRP C C 77 175.584 175.584 176.464 -0.880 17827 8923 1 18 . 1 1 84 84 TRP CB C 77 30.390 30.390 26.615 3.775 17827 8924 1 18 . 1 1 84 84 TRP H H 77 7.635 7.635 8.562 -0.927 17827 8925 1 18 . 1 1 85 85 THR N N 78 108.440 108.440 114.831 -6.391 17827 8926 1 18 . 1 1 85 85 THR HA H 78 4.900 4.900 4.228 0.672 17827 8927 1 18 . 1 1 85 85 THR C C 78 175.691 175.691 176.227 -0.536 17827 8928 1 18 . 1 1 85 85 THR CA C 78 59.500 59.500 63.063 -3.563 17827 8929 1 18 . 1 1 85 85 THR CB C 78 70.600 70.600 69.176 1.424 17827 8930 1 18 . 1 1 85 85 THR H H 78 7.030 7.030 8.721 -1.691 17827 8931 1 18 . 1 1 86 86 LEU N N 79 119.766 119.766 121.854 -2.088 17827 8932 1 18 . 1 1 86 86 LEU HA H 79 4.040 4.040 4.053 -0.013 17827 8933 1 18 . 1 1 86 86 LEU C C 79 179.734 179.734 179.102 0.632 17827 8934 1 18 . 1 1 86 86 LEU CA C 79 58.750 58.750 59.335 -0.585 17827 8935 1 18 . 1 1 86 86 LEU CB C 79 40.450 40.450 40.814 -0.364 17827 8936 1 18 . 1 1 86 86 LEU H H 79 8.045 8.045 8.803 -0.758 17827 8937 1 18 . 1 1 87 87 ASP N N 80 118.407 118.407 118.502 -0.095 17827 8938 1 18 . 1 1 87 87 ASP HA H 80 4.440 4.440 4.421 0.019 17827 8939 1 18 . 1 1 87 87 ASP C C 80 179.152 179.152 178.893 0.259 17827 8940 1 18 . 1 1 87 87 ASP CA C 80 57.320 57.320 57.219 0.101 17827 8941 1 18 . 1 1 87 87 ASP CB C 80 40.320 40.320 40.693 -0.373 17827 8942 1 18 . 1 1 87 87 ASP H H 80 8.935 8.935 8.700 0.235 17827 8943 1 18 . 1 1 88 88 LYS N N 81 123.300 123.300 119.915 3.385 17827 8944 1 18 . 1 1 88 88 LYS HA H 81 3.700 3.700 3.978 -0.278 17827 8945 1 18 . 1 1 88 88 LYS C C 81 178.721 178.721 177.863 0.858 17827 8946 1 18 . 1 1 88 88 LYS CA C 81 59.020 59.020 58.839 0.181 17827 8947 1 18 . 1 1 88 88 LYS CB C 81 31.640 31.640 32.011 -0.371 17827 8948 1 18 . 1 1 88 88 LYS H H 81 8.055 8.055 7.485 0.570 17827 8949 1 18 . 1 1 89 89 TYR N N 82 115.690 115.690 117.431 -1.741 17827 8950 1 18 . 1 1 89 89 TYR HA H 82 4.580 4.580 4.231 0.349 17827 8951 1 18 . 1 1 89 89 TYR C C 82 176.164 176.164 175.561 0.603 17827 8952 1 18 . 1 1 89 89 TYR CA C 82 61.750 61.750 59.386 2.364 17827 8953 1 18 . 1 1 89 89 TYR CB C 82 40.750 40.750 39.159 1.591 17827 8954 1 18 . 1 1 89 89 TYR H H 82 7.730 7.730 7.655 0.075 17827 8955 1 18 . 1 1 90 90 GLY N N 83 108.212 108.212 106.926 1.286 17827 8956 1 18 . 1 1 90 90 GLY C C 83 174.555 174.555 174.476 0.079 17827 8957 1 18 . 1 1 90 90 GLY CA C 83 45.510 45.510 44.879 0.631 17827 8958 1 18 . 1 1 90 90 GLY H H 83 8.030 8.030 8.042 -0.012 17827 8959 1 18 . 1 1 91 91 ILE N N 84 122.960 122.960 120.745 2.215 17827 8960 1 18 . 1 1 91 91 ILE HA H 84 3.370 3.370 4.173 -0.803 17827 8961 1 18 . 1 1 91 91 ILE C C 84 173.611 173.611 175.049 -1.438 17827 8962 1 18 . 1 1 91 91 ILE CA C 84 61.700 61.700 61.576 0.124 17827 8963 1 18 . 1 1 91 91 ILE CB C 84 37.610 37.610 39.242 -1.632 17827 8964 1 18 . 1 1 91 91 ILE H H 84 7.850 7.850 8.013 -0.163 17827 8965 1 18 . 1 1 92 92 GLN N N 85 125.429 125.429 124.856 0.573 17827 8966 1 18 . 1 1 92 92 GLN HA H 85 3.880 3.880 3.929 -0.049 17827 8967 1 18 . 1 1 92 92 GLN C C 85 174.756 174.756 175.243 -0.487 17827 8968 1 18 . 1 1 92 92 GLN CA C 85 53.720 53.720 54.710 -0.990 17827 8969 1 18 . 1 1 92 92 GLN CB C 85 31.150 31.150 30.782 0.368 17827 8970 1 18 . 1 1 92 92 GLN H H 85 7.700 7.700 8.136 -0.436 17827 8971 1 18 . 1 1 93 93 ALA N N 86 118.217 118.217 120.854 -2.637 17827 8972 1 18 . 1 1 93 93 ALA HA H 86 3.800 3.800 4.197 -0.397 17827 8973 1 18 . 1 1 93 93 ALA C C 86 177.201 177.201 177.348 -0.147 17827 8974 1 18 . 1 1 93 93 ALA CA C 86 54.080 54.080 53.370 0.710 17827 8975 1 18 . 1 1 93 93 ALA CB C 86 18.410 18.410 18.625 -0.215 17827 8976 1 18 . 1 1 93 93 ALA H H 86 6.886 6.886 8.018 -1.132 17827 8977 1 18 . 1 1 94 94 ASP N N 87 113.647 113.647 117.445 -3.798 17827 8978 1 18 . 1 1 94 94 ASP HA H 87 4.420 4.420 4.508 -0.088 17827 8979 1 18 . 1 1 94 94 ASP C C 87 176.218 176.218 175.175 1.043 17827 8980 1 18 . 1 1 94 94 ASP CA C 87 54.060 54.060 53.808 0.252 17827 8981 1 18 . 1 1 94 94 ASP CB C 87 39.600 39.600 40.816 -1.216 17827 8982 1 18 . 1 1 94 94 ASP H H 87 8.223 8.223 7.973 0.250 17827 8983 1 18 . 1 1 95 95 ALA N N 88 124.145 124.145 122.709 1.436 17827 8984 1 18 . 1 1 95 95 ALA HA H 88 4.306 4.306 4.410 -0.104 17827 8985 1 18 . 1 1 95 95 ALA C C 88 176.630 176.630 176.570 0.060 17827 8986 1 18 . 1 1 95 95 ALA CA C 88 53.320 53.320 51.623 1.697 17827 8987 1 18 . 1 1 95 95 ALA CB C 88 20.020 20.020 19.587 0.433 17827 8988 1 18 . 1 1 95 95 ALA H H 88 7.941 7.941 7.167 0.774 17827 8989 1 18 . 1 1 96 96 LYS N N 89 120.897 120.897 126.128 -5.231 17827 8990 1 18 . 1 1 96 96 LYS HA H 89 4.826 4.826 4.690 0.136 17827 8991 1 18 . 1 1 96 96 LYS C C 89 176.161 176.161 176.151 0.010 17827 8992 1 18 . 1 1 96 96 LYS CA C 89 54.736 54.736 55.223 -0.487 17827 8993 1 18 . 1 1 96 96 LYS CB C 89 32.390 32.390 32.570 -0.180 17827 8994 1 18 . 1 1 96 96 LYS H H 89 8.500 8.500 8.431 0.069 17827 8995 1 18 . 1 1 97 97 LEU N N 90 122.960 122.960 125.196 -2.236 17827 8996 1 18 . 1 1 97 97 LEU HA H 90 5.075 5.075 4.522 0.553 17827 8997 1 18 . 1 1 97 97 LEU C C 90 176.394 176.394 175.742 0.652 17827 8998 1 18 . 1 1 97 97 LEU CA C 90 53.060 53.060 54.610 -1.550 17827 8999 1 18 . 1 1 97 97 LEU CB C 90 44.850 44.850 43.468 1.382 17827 9000 1 18 . 1 1 97 97 LEU H H 90 8.566 8.566 8.754 -0.188 17827 9001 1 18 . 1 1 98 98 GLN N N 91 119.538 119.538 115.005 4.533 17827 9002 1 18 . 1 1 98 98 GLN HA H 91 5.710 5.710 4.868 0.842 17827 9003 1 18 . 1 1 98 98 GLN C C 91 174.144 174.144 174.639 -0.495 17827 9004 1 18 . 1 1 98 98 GLN CA C 91 54.360 54.360 54.500 -0.140 17827 9005 1 18 . 1 1 98 98 GLN CB C 91 32.290 32.290 32.814 -0.524 17827 9006 1 18 . 1 1 98 98 GLN H H 91 9.060 9.060 7.827 1.233 17827 9007 1 18 . 1 1 99 99 PHE N N 92 125.674 125.674 120.096 5.578 17827 9008 1 18 . 1 1 99 99 PHE HA H 92 5.700 5.700 5.341 0.359 17827 9009 1 18 . 1 1 99 99 PHE C C 92 174.537 174.537 173.896 0.641 17827 9010 1 18 . 1 1 99 99 PHE CA C 92 54.190 54.190 56.612 -2.422 17827 9011 1 18 . 1 1 99 99 PHE CB C 92 41.080 41.080 43.742 -2.662 17827 9012 1 18 . 1 1 99 99 PHE H H 92 9.290 9.290 9.709 -0.419 17827 9013 1 18 . 1 1 100 100 THR N N 93 124.543 124.543 117.863 6.680 17827 9014 1 18 . 1 1 100 100 THR HA H 93 5.100 5.100 4.849 0.251 17827 9015 1 18 . 1 1 100 100 THR C C 93 180.164 180.164 171.854 8.310 17827 9016 1 18 . 1 1 100 100 THR CA C 93 58.830 58.830 59.214 -0.384 17827 9017 1 18 . 1 1 100 100 THR CB C 93 73.610 73.610 71.200 2.410 17827 9018 1 18 . 1 1 100 100 THR H H 93 8.945 8.945 8.690 0.255 17827 9019 1 19 . 1 1 9 9 ALA N N 2 124.336 124.336 122.131 2.205 17827 9020 1 19 . 1 1 9 9 ALA HA H 2 4.210 4.210 4.178 0.032 17827 9021 1 19 . 1 1 9 9 ALA C C 2 177.598 177.598 177.103 0.495 17827 9022 1 19 . 1 1 9 9 ALA CA C 2 52.440 52.440 52.202 0.238 17827 9023 1 19 . 1 1 9 9 ALA CB C 2 19.030 19.030 17.526 1.504 17827 9024 1 19 . 1 1 9 9 ALA H H 2 8.018 8.018 8.343 -0.325 17827 9025 1 19 . 1 1 10 10 LEU N N 3 121.125 121.125 118.338 2.787 17827 9026 1 19 . 1 1 10 10 LEU HA H 3 4.210 4.210 3.783 0.427 17827 9027 1 19 . 1 1 10 10 LEU C C 3 177.094 177.094 176.952 0.142 17827 9028 1 19 . 1 1 10 10 LEU CA C 3 55.320 55.320 57.126 -1.806 17827 9029 1 19 . 1 1 10 10 LEU CB C 3 42.170 42.170 41.678 0.492 17827 9030 1 19 . 1 1 10 10 LEU H H 3 8.057 8.057 8.236 -0.179 17827 9031 1 19 . 1 1 11 11 ASP N N 4 119.766 119.766 115.544 4.222 17827 9032 1 19 . 1 1 11 11 ASP HA H 4 4.475 4.475 4.622 -0.147 17827 9033 1 19 . 1 1 11 11 ASP C C 4 176.509 176.509 175.293 1.216 17827 9034 1 19 . 1 1 11 11 ASP CA C 4 54.550 54.550 54.020 0.530 17827 9035 1 19 . 1 1 11 11 ASP CB C 4 40.950 40.950 41.191 -0.241 17827 9036 1 19 . 1 1 11 11 ASP H H 4 8.145 8.145 8.022 0.123 17827 9037 1 19 . 1 1 12 12 GLY N N 5 108.440 108.440 107.896 0.544 17827 9038 1 19 . 1 1 12 12 GLY C C 5 173.692 173.692 175.162 -1.470 17827 9039 1 19 . 1 1 12 12 GLY CA C 5 45.310 45.310 45.128 0.182 17827 9040 1 19 . 1 1 12 12 GLY H H 5 8.110 8.110 8.004 0.106 17827 9041 1 19 . 1 1 13 13 ILE N N 6 119.766 119.766 120.538 -0.772 17827 9042 1 19 . 1 1 13 13 ILE HA H 6 4.100 4.100 3.659 0.441 17827 9043 1 19 . 1 1 13 13 ILE C C 6 175.525 175.525 177.030 -1.505 17827 9044 1 19 . 1 1 13 13 ILE CA C 6 60.710 60.710 63.792 -3.082 17827 9045 1 19 . 1 1 13 13 ILE CB C 6 38.430 38.430 38.093 0.337 17827 9046 1 19 . 1 1 13 13 ILE H H 6 7.790 7.790 7.997 -0.207 17827 9047 1 19 . 1 1 14 14 ARG N N 7 125.657 125.657 119.859 5.798 17827 9048 1 19 . 1 1 14 14 ARG HA H 7 4.210 4.210 4.186 0.024 17827 9049 1 19 . 1 1 14 14 ARG C C 7 175.810 175.810 176.259 -0.449 17827 9050 1 19 . 1 1 14 14 ARG CA C 7 55.640 55.640 57.576 -1.936 17827 9051 1 19 . 1 1 14 14 ARG CB C 7 30.990 30.990 30.432 0.558 17827 9052 1 19 . 1 1 14 14 ARG H H 7 8.410 8.410 8.068 0.342 17827 9053 1 19 . 1 1 15 15 MET N N 8 123.598 123.598 114.369 9.229 17827 9054 1 19 . 1 1 15 15 MET HA H 8 4.210 4.210 5.032 -0.822 17827 9055 1 19 . 1 1 15 15 MET C C 8 174.950 174.950 174.182 0.768 17827 9056 1 19 . 1 1 15 15 MET CA C 8 55.330 55.330 52.821 2.509 17827 9057 1 19 . 1 1 15 15 MET CB C 8 31.730 31.730 32.562 -0.833 17827 9058 1 19 . 1 1 15 15 MET H H 8 8.495 8.495 7.820 0.675 17827 9059 1 19 . 1 1 16 16 PRO HA H 9 4.290 4.290 4.326 -0.036 17827 9060 1 19 . 1 1 16 16 PRO C C 9 176.228 176.228 176.226 0.002 17827 9061 1 19 . 1 1 16 16 PRO CA C 9 63.370 63.370 65.402 -2.032 17827 9062 1 19 . 1 1 16 16 PRO CB C 9 31.820 31.820 30.958 0.862 17827 9063 1 19 . 1 1 17 17 ASP N N 10 117.952 117.952 116.180 1.772 17827 9064 1 19 . 1 1 17 17 ASP HA H 10 4.420 4.420 4.664 -0.244 17827 9065 1 19 . 1 1 17 17 ASP C C 10 176.714 176.714 176.807 -0.093 17827 9066 1 19 . 1 1 17 17 ASP CA C 10 54.130 54.130 53.492 0.638 17827 9067 1 19 . 1 1 17 17 ASP CB C 10 40.430 40.430 41.078 -0.647 17827 9068 1 19 . 1 1 17 17 ASP H H 10 8.076 8.076 8.201 -0.125 17827 9069 1 19 . 1 1 18 18 GLY N N 11 108.663 108.663 106.104 2.559 17827 9070 1 19 . 1 1 18 18 GLY C C 11 173.819 173.819 174.152 -0.333 17827 9071 1 19 . 1 1 18 18 GLY CA C 11 45.300 45.300 45.700 -0.400 17827 9072 1 19 . 1 1 18 18 GLY H H 11 8.255 8.255 7.816 0.439 17827 9073 1 19 . 1 1 19 19 CYS N N 12 118.179 118.179 120.406 -2.227 17827 9074 1 19 . 1 1 19 19 CYS HA H 12 4.550 4.550 4.071 0.479 17827 9075 1 19 . 1 1 19 19 CYS C C 12 174.073 174.073 175.854 -1.781 17827 9076 1 19 . 1 1 19 19 CYS CA C 12 58.420 58.420 61.797 -3.377 17827 9077 1 19 . 1 1 19 19 CYS CB C 12 28.400 28.400 28.448 -0.048 17827 9078 1 19 . 1 1 19 19 CYS H H 12 7.850 7.850 8.279 -0.429 17827 9079 1 19 . 1 1 20 20 TYR N N 13 120.897 120.897 118.872 2.025 17827 9080 1 19 . 1 1 20 20 TYR HA H 13 4.550 4.550 4.326 0.224 17827 9081 1 19 . 1 1 20 20 TYR C C 13 176.748 176.748 176.325 0.423 17827 9082 1 19 . 1 1 20 20 TYR CA C 13 58.470 58.470 59.410 -0.939 17827 9083 1 19 . 1 1 20 20 TYR CB C 13 39.210 39.210 36.957 2.253 17827 9084 1 19 . 1 1 20 20 TYR H H 13 8.550 8.550 8.301 0.249 17827 9085 1 19 . 1 1 21 21 ALA N N 14 124.750 124.750 119.576 5.174 17827 9086 1 19 . 1 1 21 21 ALA HA H 14 4.190 4.190 4.372 -0.182 17827 9087 1 19 . 1 1 21 21 ALA C C 14 177.181 177.181 176.572 0.609 17827 9088 1 19 . 1 1 21 21 ALA CA C 14 53.530 53.530 52.385 1.145 17827 9089 1 19 . 1 1 21 21 ALA CB C 14 18.630 18.630 19.480 -0.850 17827 9090 1 19 . 1 1 21 21 ALA H H 14 8.615 8.615 7.849 0.766 17827 9091 1 19 . 1 1 22 22 ASP N N 15 117.500 117.500 115.432 2.068 17827 9092 1 19 . 1 1 22 22 ASP HA H 15 4.480 4.480 4.680 -0.200 17827 9093 1 19 . 1 1 22 22 ASP C C 15 176.708 176.708 175.741 0.967 17827 9094 1 19 . 1 1 22 22 ASP CA C 15 53.500 53.500 53.789 -0.289 17827 9095 1 19 . 1 1 22 22 ASP CB C 15 40.730 40.730 41.941 -1.211 17827 9096 1 19 . 1 1 22 22 ASP H H 15 7.960 7.960 7.669 0.291 17827 9097 1 19 . 1 1 23 23 GLY N N 16 108.891 108.891 107.598 1.293 17827 9098 1 19 . 1 1 23 23 GLY C C 16 174.373 174.373 174.109 0.264 17827 9099 1 19 . 1 1 23 23 GLY CA C 16 45.370 45.370 46.448 -1.078 17827 9100 1 19 . 1 1 23 23 GLY H H 16 8.344 8.344 8.570 -0.226 17827 9101 1 19 . 1 1 24 24 THR N N 17 110.929 110.929 110.398 0.531 17827 9102 1 19 . 1 1 24 24 THR HA H 17 4.640 4.640 4.550 0.090 17827 9103 1 19 . 1 1 24 24 THR C C 17 173.620 173.620 174.094 -0.474 17827 9104 1 19 . 1 1 24 24 THR CA C 17 60.540 60.540 60.282 0.258 17827 9105 1 19 . 1 1 24 24 THR CB C 17 72.100 72.100 70.540 1.560 17827 9106 1 19 . 1 1 24 24 THR H H 17 7.850 7.850 7.396 0.454 17827 9107 1 19 . 1 1 25 25 TRP N N 18 117.728 117.728 118.196 -0.468 17827 9108 1 19 . 1 1 25 25 TRP HA H 18 4.945 4.945 4.963 -0.018 17827 9109 1 19 . 1 1 25 25 TRP C C 18 174.164 174.164 174.148 0.016 17827 9110 1 19 . 1 1 25 25 TRP CA C 18 54.620 54.620 56.194 -1.574 17827 9111 1 19 . 1 1 25 25 TRP CB C 18 30.650 30.650 30.200 0.450 17827 9112 1 19 . 1 1 25 25 TRP H H 18 8.640 8.640 7.414 1.226 17827 9113 1 19 . 1 1 26 26 GLU N N 19 117.728 117.728 119.152 -1.424 17827 9114 1 19 . 1 1 26 26 GLU HA H 19 4.851 4.851 4.859 -0.008 17827 9115 1 19 . 1 1 26 26 GLU C C 19 174.786 174.786 174.305 0.481 17827 9116 1 19 . 1 1 26 26 GLU CA C 19 55.710 55.710 54.671 1.039 17827 9117 1 19 . 1 1 26 26 GLU CB C 19 31.500 31.500 32.491 -0.991 17827 9118 1 19 . 1 1 26 26 GLU H H 19 8.744 8.744 8.436 0.308 17827 9119 1 19 . 1 1 27 27 LEU N N 20 126.668 126.668 118.561 8.107 17827 9120 1 19 . 1 1 27 27 LEU HA H 20 4.880 4.880 4.664 0.216 17827 9121 1 19 . 1 1 27 27 LEU C C 20 175.123 175.123 175.146 -0.023 17827 9122 1 19 . 1 1 27 27 LEU CA C 20 53.252 53.252 53.984 -0.732 17827 9123 1 19 . 1 1 27 27 LEU CB C 20 45.280 45.280 46.150 -0.870 17827 9124 1 19 . 1 1 27 27 LEU H H 20 8.980 8.980 8.745 0.235 17827 9125 1 19 . 1 1 28 28 SER N N 21 121.804 121.804 115.860 5.944 17827 9126 1 19 . 1 1 28 28 SER HA H 21 4.894 4.894 4.799 0.095 17827 9127 1 19 . 1 1 28 28 SER C C 21 173.483 173.483 172.909 0.574 17827 9128 1 19 . 1 1 28 28 SER CA C 21 57.880 57.880 57.316 0.564 17827 9129 1 19 . 1 1 28 28 SER CB C 21 63.920 63.920 64.709 -0.789 17827 9130 1 19 . 1 1 28 28 SER H H 21 8.785 8.785 8.455 0.330 17827 9131 1 19 . 1 1 29 29 VAL N N 22 125.881 125.881 123.059 2.822 17827 9132 1 19 . 1 1 29 29 VAL HA H 22 4.370 4.370 4.486 -0.116 17827 9133 1 19 . 1 1 29 29 VAL C C 22 173.953 173.953 175.003 -1.050 17827 9134 1 19 . 1 1 29 29 VAL CA C 22 60.440 60.440 60.465 -0.025 17827 9135 1 19 . 1 1 29 29 VAL CB C 22 34.350 34.350 36.679 -2.329 17827 9136 1 19 . 1 1 29 29 VAL H H 22 8.865 8.865 8.391 0.474 17827 9137 1 19 . 1 1 30 30 HIS N N 23 126.560 126.560 123.440 3.120 17827 9138 1 19 . 1 1 30 30 HIS HA H 23 5.220 5.220 4.806 0.414 17827 9139 1 19 . 1 1 30 30 HIS C C 23 174.596 174.596 174.413 0.183 17827 9140 1 19 . 1 1 30 30 HIS CA C 23 55.250 55.250 55.342 -0.092 17827 9141 1 19 . 1 1 30 30 HIS CB C 23 30.550 30.550 32.922 -2.372 17827 9142 1 19 . 1 1 30 30 HIS H H 23 8.810 8.810 8.482 0.328 17827 9143 1 19 . 1 1 31 31 VAL N N 24 130.587 130.587 128.168 2.419 17827 9144 1 19 . 1 1 31 31 VAL HA H 24 5.230 5.230 4.446 0.784 17827 9145 1 19 . 1 1 31 31 VAL C C 24 177.426 177.426 175.453 1.973 17827 9146 1 19 . 1 1 31 31 VAL CA C 24 55.530 55.530 62.703 -7.173 17827 9147 1 19 . 1 1 31 31 VAL CB C 24 31.040 31.040 30.982 0.058 17827 9148 1 19 . 1 1 31 31 VAL H H 24 9.043 9.043 8.733 0.310 17827 9149 1 19 . 1 1 32 32 THR N N 25 122.484 122.484 119.684 2.800 17827 9150 1 19 . 1 1 32 32 THR HA H 25 3.970 3.970 4.358 -0.388 17827 9151 1 19 . 1 1 32 32 THR C C 25 177.437 177.437 175.257 2.180 17827 9152 1 19 . 1 1 32 32 THR CA C 25 66.470 66.470 62.504 3.966 17827 9153 1 19 . 1 1 32 32 THR CB C 25 68.220 68.220 70.397 -2.177 17827 9154 1 19 . 1 1 32 32 THR H H 25 8.245 8.245 8.822 -0.577 17827 9155 1 19 . 1 1 34 34 VAL N N 27 114.090 114.090 116.691 -2.601 17827 9156 1 19 . 1 1 34 34 VAL HA H 27 4.500 4.500 4.076 0.424 17827 9157 1 19 . 1 1 34 34 VAL CA C 27 54.220 54.220 62.468 -8.248 17827 9158 1 19 . 1 1 34 34 VAL CB C 27 27.060 27.060 34.103 -7.043 17827 9159 1 19 . 1 1 34 34 VAL H H 27 6.977 6.977 7.293 -0.316 17827 9160 1 19 . 1 1 35 35 ASN N N 28 116.829 116.829 116.553 0.276 17827 9161 1 19 . 1 1 35 35 ASN HA H 28 4.299 4.299 4.535 -0.236 17827 9162 1 19 . 1 1 35 35 ASN CA C 28 53.650 53.650 54.476 -0.826 17827 9163 1 19 . 1 1 35 35 ASN CB C 28 37.110 37.110 37.622 -0.512 17827 9164 1 19 . 1 1 35 35 ASN H H 28 7.897 7.897 8.326 -0.429 17827 9165 1 19 . 1 1 36 36 ARG N N 29 114.310 114.310 117.987 -3.677 17827 9166 1 19 . 1 1 36 36 ARG HA H 29 4.700 4.700 4.627 0.073 17827 9167 1 19 . 1 1 36 36 ARG C C 29 173.347 173.347 174.331 -0.984 17827 9168 1 19 . 1 1 36 36 ARG CA C 29 54.900 54.900 54.949 -0.049 17827 9169 1 19 . 1 1 36 36 ARG CB C 29 34.700 34.700 31.911 2.789 17827 9170 1 19 . 1 1 36 36 ARG H H 29 6.787 6.787 7.624 -0.837 17827 9171 1 19 . 1 1 37 37 ASP N N 30 124.071 124.071 117.795 6.276 17827 9172 1 19 . 1 1 37 37 ASP HA H 30 5.475 5.475 4.714 0.761 17827 9173 1 19 . 1 1 37 37 ASP C C 30 175.354 175.354 174.675 0.679 17827 9174 1 19 . 1 1 37 37 ASP CA C 30 53.660 53.660 53.466 0.194 17827 9175 1 19 . 1 1 37 37 ASP CB C 30 42.260 42.260 42.292 -0.033 17827 9176 1 19 . 1 1 37 37 ASP H H 30 8.760 8.760 8.444 0.316 17827 9177 1 19 . 1 1 38 38 VAL N N 31 123.300 123.300 118.670 4.630 17827 9178 1 19 . 1 1 38 38 VAL HA H 31 4.270 4.270 4.455 -0.185 17827 9179 1 19 . 1 1 38 38 VAL C C 31 174.203 174.203 174.251 -0.048 17827 9180 1 19 . 1 1 38 38 VAL CA C 31 60.700 60.700 59.987 0.713 17827 9181 1 19 . 1 1 38 38 VAL CB C 31 34.620 34.620 35.859 -1.239 17827 9182 1 19 . 1 1 38 38 VAL H H 31 9.187 9.187 8.073 1.114 17827 9183 1 19 . 1 1 39 39 THR N N 32 119.766 119.766 113.678 6.088 17827 9184 1 19 . 1 1 39 39 THR HA H 32 5.095 5.095 4.808 0.287 17827 9185 1 19 . 1 1 39 39 THR C C 32 173.547 173.547 173.349 0.198 17827 9186 1 19 . 1 1 39 39 THR CA C 32 60.550 60.550 60.014 0.536 17827 9187 1 19 . 1 1 39 39 THR CB C 32 70.170 70.170 71.098 -0.928 17827 9188 1 19 . 1 1 39 39 THR H H 32 8.360 8.360 8.241 0.119 17827 9189 1 19 . 1 1 40 40 LEU N N 33 124.522 124.522 122.194 2.328 17827 9190 1 19 . 1 1 40 40 LEU HA H 33 4.590 4.590 4.661 -0.071 17827 9191 1 19 . 1 1 40 40 LEU C C 33 174.691 174.691 176.083 -1.392 17827 9192 1 19 . 1 1 40 40 LEU CA C 33 52.580 52.580 53.778 -1.198 17827 9193 1 19 . 1 1 40 40 LEU CB C 33 45.410 45.410 44.610 0.800 17827 9194 1 19 . 1 1 40 40 LEU H H 33 8.750 8.750 8.204 0.546 17827 9195 1 19 . 1 1 41 41 ARG N N 34 122.712 122.712 122.719 -0.007 17827 9196 1 19 . 1 1 41 41 ARG HA H 34 4.680 4.680 4.710 -0.030 17827 9197 1 19 . 1 1 41 41 ARG C C 34 175.700 175.700 174.324 1.376 17827 9198 1 19 . 1 1 41 41 ARG CA C 34 55.420 55.420 54.952 0.468 17827 9199 1 19 . 1 1 41 41 ARG CB C 34 29.500 29.500 30.071 -0.571 17827 9200 1 19 . 1 1 41 41 ARG H H 34 8.345 8.345 8.658 -0.313 17827 9201 1 19 . 1 1 42 42 VAL N N 35 117.728 117.728 120.061 -2.333 17827 9202 1 19 . 1 1 42 42 VAL HA H 35 4.465 4.465 4.393 0.072 17827 9203 1 19 . 1 1 42 42 VAL C C 35 173.184 173.184 173.571 -0.387 17827 9204 1 19 . 1 1 42 42 VAL CA C 35 58.670 58.670 59.300 -0.630 17827 9205 1 19 . 1 1 42 42 VAL CB C 35 36.050 36.050 34.985 1.065 17827 9206 1 19 . 1 1 42 42 VAL H H 35 8.640 8.640 8.074 0.566 17827 9207 1 19 . 1 1 43 43 THR N N 36 104.359 104.359 109.135 -4.776 17827 9208 1 19 . 1 1 43 43 THR HA H 36 4.660 4.660 2.269 2.391 17827 9209 1 19 . 1 1 43 43 THR C C 36 174.862 174.862 175.002 -0.140 17827 9210 1 19 . 1 1 43 43 THR CA C 36 59.010 59.010 59.668 -0.658 17827 9211 1 19 . 1 1 43 43 THR CB C 36 71.570 71.570 70.868 0.702 17827 9212 1 19 . 1 1 43 43 THR H H 36 6.220 6.220 7.767 -1.547 17827 9213 1 19 . 1 1 44 44 GLY N N 37 105.946 105.946 107.771 -1.825 17827 9214 1 19 . 1 1 44 44 GLY C C 37 173.394 173.394 174.396 -1.002 17827 9215 1 19 . 1 1 44 44 GLY CA C 37 46.830 46.830 46.584 0.246 17827 9216 1 19 . 1 1 44 44 GLY H H 37 9.160 9.160 8.782 0.378 17827 9217 1 19 . 1 1 45 45 GLU N N 38 113.875 113.875 117.832 -3.957 17827 9218 1 19 . 1 1 45 45 GLU HA H 38 4.290 4.290 4.322 -0.032 17827 9219 1 19 . 1 1 45 45 GLU C C 38 176.167 176.167 176.254 -0.087 17827 9220 1 19 . 1 1 45 45 GLU CA C 38 55.500 55.500 56.198 -0.698 17827 9221 1 19 . 1 1 45 45 GLU CB C 38 30.950 30.950 29.776 1.174 17827 9222 1 19 . 1 1 45 45 GLU H H 38 7.500 7.500 7.327 0.173 17827 9223 1 19 . 1 1 46 46 VAL N N 39 121.577 121.577 121.902 -0.325 17827 9224 1 19 . 1 1 46 46 VAL HA H 39 3.820 3.820 3.876 -0.056 17827 9225 1 19 . 1 1 46 46 VAL C C 39 174.651 174.651 174.942 -0.291 17827 9226 1 19 . 1 1 46 46 VAL CA C 39 63.920 63.920 62.344 1.576 17827 9227 1 19 . 1 1 46 46 VAL CB C 39 31.590 31.590 32.490 -0.900 17827 9228 1 19 . 1 1 46 46 VAL H H 39 7.260 7.260 7.445 -0.185 17827 9229 1 19 . 1 1 47 47 HIS N N 40 123.391 123.391 126.422 -3.031 17827 9230 1 19 . 1 1 47 47 HIS HA H 40 5.212 5.212 4.548 0.664 17827 9231 1 19 . 1 1 47 47 HIS C C 40 177.440 177.440 176.347 1.093 17827 9232 1 19 . 1 1 47 47 HIS CA C 40 54.660 54.660 55.584 -0.923 17827 9233 1 19 . 1 1 47 47 HIS CB C 40 30.910 30.910 30.428 0.482 17827 9234 1 19 . 1 1 47 47 HIS H H 40 8.285 8.285 8.452 -0.167 17827 9235 1 19 . 1 1 48 48 ILE N N 41 124.071 124.071 123.949 0.122 17827 9236 1 19 . 1 1 48 48 ILE HA H 41 3.530 3.530 3.785 -0.255 17827 9237 1 19 . 1 1 48 48 ILE C C 41 178.941 178.941 178.100 0.841 17827 9238 1 19 . 1 1 48 48 ILE CA C 41 62.330 62.330 65.597 -3.267 17827 9239 1 19 . 1 1 48 48 ILE CB C 41 34.230 34.230 37.861 -3.631 17827 9240 1 19 . 1 1 48 48 ILE H H 41 8.863 8.863 8.524 0.339 17827 9241 1 19 . 1 1 49 49 GLY N N 42 106.853 106.853 104.978 1.875 17827 9242 1 19 . 1 1 49 49 GLY C C 42 175.669 175.669 175.314 0.355 17827 9243 1 19 . 1 1 49 49 GLY CA C 42 45.320 45.320 46.321 -1.001 17827 9244 1 19 . 1 1 49 49 GLY H H 42 9.720 9.720 8.650 1.070 17827 9245 1 19 . 1 1 50 50 GLY N N 43 109.571 109.571 108.411 1.160 17827 9246 1 19 . 1 1 50 50 GLY C C 43 175.847 175.847 175.588 0.259 17827 9247 1 19 . 1 1 50 50 GLY CA C 43 47.000 47.000 45.497 1.503 17827 9248 1 19 . 1 1 50 50 GLY H H 43 6.950 6.950 8.230 -1.280 17827 9249 1 19 . 1 1 51 51 VAL N N 44 123.163 123.163 124.722 -1.559 17827 9250 1 19 . 1 1 51 51 VAL HA H 44 3.115 3.115 3.679 -0.565 17827 9251 1 19 . 1 1 51 51 VAL C C 44 176.804 176.804 177.882 -1.078 17827 9252 1 19 . 1 1 51 51 VAL CA C 44 66.660 66.660 66.876 -0.216 17827 9253 1 19 . 1 1 51 51 VAL CB C 44 30.730 30.730 31.794 -1.064 17827 9254 1 19 . 1 1 51 51 VAL H H 44 7.860 7.860 8.604 -0.744 17827 9255 1 19 . 1 1 52 52 MET N N 45 115.913 115.913 117.640 -1.727 17827 9256 1 19 . 1 1 52 52 MET HA H 45 3.410 3.410 4.144 -0.734 17827 9257 1 19 . 1 1 52 52 MET C C 45 176.881 176.881 177.887 -1.006 17827 9258 1 19 . 1 1 52 52 MET CA C 45 59.830 59.830 59.159 0.671 17827 9259 1 19 . 1 1 52 52 MET CB C 45 32.310 32.310 31.435 0.875 17827 9260 1 19 . 1 1 52 52 MET H H 45 7.940 7.940 7.855 0.085 17827 9261 1 19 . 1 1 53 53 LEU N N 46 118.291 118.291 121.865 -3.574 17827 9262 1 19 . 1 1 53 53 LEU HA H 46 3.940 3.940 3.978 -0.038 17827 9263 1 19 . 1 1 53 53 LEU C C 46 179.178 179.178 179.078 0.100 17827 9264 1 19 . 1 1 53 53 LEU CA C 46 58.500 58.500 57.879 0.621 17827 9265 1 19 . 1 1 53 53 LEU CB C 46 41.930 41.930 41.158 0.772 17827 9266 1 19 . 1 1 53 53 LEU H H 46 7.550 7.550 7.635 -0.085 17827 9267 1 19 . 1 1 54 54 LYS N N 47 118.142 118.142 119.062 -0.920 17827 9268 1 19 . 1 1 54 54 LYS HA H 47 3.870 3.870 4.204 -0.334 17827 9269 1 19 . 1 1 54 54 LYS C C 47 178.616 178.616 179.131 -0.515 17827 9270 1 19 . 1 1 54 54 LYS CA C 47 57.980 57.980 59.162 -1.182 17827 9271 1 19 . 1 1 54 54 LYS CB C 47 32.320 32.320 32.019 0.301 17827 9272 1 19 . 1 1 54 54 LYS H H 47 7.665 7.665 8.623 -0.958 17827 9273 1 19 . 1 1 55 55 LEU N N 48 119.385 119.385 120.075 -0.690 17827 9274 1 19 . 1 1 55 55 LEU HA H 48 3.570 3.570 4.302 -0.732 17827 9275 1 19 . 1 1 55 55 LEU C C 48 177.405 177.405 177.985 -0.580 17827 9276 1 19 . 1 1 55 55 LEU CA C 48 57.790 57.790 57.836 -0.046 17827 9277 1 19 . 1 1 55 55 LEU CB C 48 41.590 41.590 41.874 -0.284 17827 9278 1 19 . 1 1 55 55 LEU H H 48 7.975 7.975 7.451 0.524 17827 9279 1 19 . 1 1 56 56 VAL N N 49 116.141 116.141 119.944 -3.803 17827 9280 1 19 . 1 1 56 56 VAL HA H 49 2.990 2.990 3.766 -0.776 17827 9281 1 19 . 1 1 56 56 VAL C C 49 178.564 178.564 178.024 0.540 17827 9282 1 19 . 1 1 56 56 VAL CA C 49 66.310 66.310 67.109 -0.799 17827 9283 1 19 . 1 1 56 56 VAL CB C 49 31.300 31.300 31.762 -0.462 17827 9284 1 19 . 1 1 56 56 VAL H H 49 7.615 7.615 9.040 -1.425 17827 9285 1 19 . 1 1 57 57 GLU N N 50 118.631 118.631 118.545 0.086 17827 9286 1 19 . 1 1 57 57 GLU HA H 50 3.965 3.965 4.103 -0.138 17827 9287 1 19 . 1 1 57 57 GLU C C 50 178.030 178.030 178.195 -0.165 17827 9288 1 19 . 1 1 57 57 GLU CA C 50 58.500 58.500 58.408 0.092 17827 9289 1 19 . 1 1 57 57 GLU CB C 50 29.610 29.610 29.532 0.078 17827 9290 1 19 . 1 1 57 57 GLU H H 50 7.575 7.575 8.686 -1.111 17827 9291 1 19 . 1 1 58 58 LYS N N 51 117.053 117.053 117.035 0.018 17827 9292 1 19 . 1 1 58 58 LYS HA H 51 4.130 4.130 4.147 -0.017 17827 9293 1 19 . 1 1 58 58 LYS C C 51 176.956 176.956 176.969 -0.013 17827 9294 1 19 . 1 1 58 58 LYS CA C 51 56.660 56.660 57.623 -0.963 17827 9295 1 19 . 1 1 58 58 LYS CB C 51 32.660 32.660 33.181 -0.521 17827 9296 1 19 . 1 1 58 58 LYS H H 51 7.490 7.490 7.527 -0.037 17827 9297 1 19 . 1 1 59 59 LEU N N 52 119.460 119.460 117.886 1.574 17827 9298 1 19 . 1 1 59 59 LEU HA H 52 4.122 4.122 4.057 0.065 17827 9299 1 19 . 1 1 59 59 LEU C C 52 176.645 176.645 175.696 0.949 17827 9300 1 19 . 1 1 59 59 LEU CA C 52 56.660 56.660 55.946 0.714 17827 9301 1 19 . 1 1 59 59 LEU CB C 52 42.700 42.700 41.598 1.102 17827 9302 1 19 . 1 1 59 59 LEU H H 52 7.470 7.470 8.464 -0.994 17827 9303 1 19 . 1 1 62 62 LYS C C 55 175.670 175.670 174.934 0.736 17827 9304 1 19 . 1 1 63 63 LYS N N 56 122.430 122.430 124.594 -2.164 17827 9305 1 19 . 1 1 63 63 LYS HA H 56 4.030 4.030 4.687 -0.657 17827 9306 1 19 . 1 1 63 63 LYS C C 56 172.850 172.850 175.184 -2.334 17827 9307 1 19 . 1 1 63 63 LYS CA C 56 54.530 54.530 55.432 -0.902 17827 9308 1 19 . 1 1 63 63 LYS CB C 56 34.440 34.440 36.019 -1.579 17827 9309 1 19 . 1 1 63 63 LYS H H 56 7.245 7.245 8.154 -0.909 17827 9310 1 19 . 1 1 64 64 ASP N N 57 118.867 118.867 122.246 -3.379 17827 9311 1 19 . 1 1 64 64 ASP HA H 57 4.530 4.530 4.283 0.247 17827 9312 1 19 . 1 1 64 64 ASP C C 57 176.710 176.710 176.519 0.191 17827 9313 1 19 . 1 1 64 64 ASP CA C 57 52.500 52.500 53.880 -1.380 17827 9314 1 19 . 1 1 64 64 ASP CB C 57 40.320 40.320 40.783 -0.463 17827 9315 1 19 . 1 1 64 64 ASP H H 57 7.867 7.867 8.916 -1.049 17827 9316 1 19 . 1 1 65 65 TRP N N 58 128.827 128.827 121.967 6.860 17827 9317 1 19 . 1 1 65 65 TRP HA H 58 4.540 4.540 4.692 -0.152 17827 9318 1 19 . 1 1 65 65 TRP C C 58 178.390 178.390 177.831 0.559 17827 9319 1 19 . 1 1 65 65 TRP CA C 58 52.860 52.860 58.630 -5.770 17827 9320 1 19 . 1 1 65 65 TRP CB C 58 29.420 29.420 28.068 1.352 17827 9321 1 19 . 1 1 65 65 TRP H H 58 8.790 8.790 7.601 1.189 17827 9322 1 19 . 1 1 66 66 SER N N 59 117.724 117.724 114.377 3.347 17827 9323 1 19 . 1 1 66 66 SER HA H 59 4.143 4.143 4.535 -0.392 17827 9324 1 19 . 1 1 66 66 SER C C 59 174.471 174.471 175.289 -0.818 17827 9325 1 19 . 1 1 66 66 SER CA C 59 62.350 62.350 59.602 2.748 17827 9326 1 19 . 1 1 66 66 SER CB C 59 63.110 63.110 63.089 0.021 17827 9327 1 19 . 1 1 66 66 SER H H 59 8.637 8.637 8.127 0.510 17827 9328 1 19 . 1 1 67 67 ASP N N 60 121.042 121.042 119.117 1.925 17827 9329 1 19 . 1 1 67 67 ASP C C 60 176.206 176.206 176.527 -0.321 17827 9330 1 19 . 1 1 67 67 ASP CB C 60 42.560 42.560 40.699 1.861 17827 9331 1 19 . 1 1 67 67 ASP H H 60 8.895 8.895 8.257 0.638 17827 9332 1 19 . 1 1 68 68 HIS N N 61 121.519 121.519 116.894 4.625 17827 9333 1 19 . 1 1 68 68 HIS HA H 61 4.490 4.490 4.618 -0.128 17827 9334 1 19 . 1 1 68 68 HIS C C 61 174.546 174.546 174.450 0.096 17827 9335 1 19 . 1 1 68 68 HIS CA C 61 57.940 57.940 55.780 2.160 17827 9336 1 19 . 1 1 68 68 HIS CB C 61 39.410 39.410 31.643 7.767 17827 9337 1 19 . 1 1 68 68 HIS H H 61 7.958 7.958 7.444 0.514 17827 9338 1 19 . 1 1 69 69 ALA N N 62 122.256 122.256 119.244 3.012 17827 9339 1 19 . 1 1 69 69 ALA C C 62 175.294 175.294 175.214 0.080 17827 9340 1 19 . 1 1 69 69 ALA CB C 62 22.470 22.470 22.883 -0.413 17827 9341 1 19 . 1 1 69 69 ALA H H 62 8.575 8.575 9.514 -0.939 17827 9342 1 19 . 1 1 70 70 LEU N N 63 118.904 118.904 120.656 -1.752 17827 9343 1 19 . 1 1 70 70 LEU HA H 63 5.654 5.654 5.042 0.612 17827 9344 1 19 . 1 1 70 70 LEU C C 63 174.445 174.445 176.722 -2.277 17827 9345 1 19 . 1 1 70 70 LEU CA C 63 53.930 53.930 53.333 0.597 17827 9346 1 19 . 1 1 70 70 LEU CB C 63 44.300 44.300 41.580 2.720 17827 9347 1 19 . 1 1 70 70 LEU H H 63 9.150 9.150 8.958 0.192 17827 9348 1 19 . 1 1 71 71 TRP N N 64 125.367 125.367 127.212 -1.845 17827 9349 1 19 . 1 1 71 71 TRP C C 64 174.010 174.010 174.966 -0.956 17827 9350 1 19 . 1 1 71 71 TRP CB C 64 32.210 32.210 30.466 1.744 17827 9351 1 19 . 1 1 71 71 TRP H H 64 9.590 9.590 8.551 1.039 17827 9352 1 19 . 1 1 72 72 TRP N N 65 129.982 129.982 129.087 0.895 17827 9353 1 19 . 1 1 72 72 TRP HA H 65 4.980 4.980 4.556 0.424 17827 9354 1 19 . 1 1 72 72 TRP C C 65 174.335 174.335 176.343 -2.008 17827 9355 1 19 . 1 1 72 72 TRP CA C 65 51.440 51.440 54.157 -2.716 17827 9356 1 19 . 1 1 72 72 TRP CB C 65 30.490 30.490 29.654 0.836 17827 9357 1 19 . 1 1 72 72 TRP H H 65 8.277 8.277 8.232 0.045 17827 9358 1 19 . 1 1 73 73 GLU N N 66 129.112 129.112 126.887 2.225 17827 9359 1 19 . 1 1 73 73 GLU HA H 66 3.300 3.300 3.845 -0.545 17827 9360 1 19 . 1 1 73 73 GLU C C 66 178.595 178.595 176.722 1.873 17827 9361 1 19 . 1 1 73 73 GLU CA C 66 59.920 59.920 58.830 1.090 17827 9362 1 19 . 1 1 73 73 GLU CB C 66 29.060 29.060 29.229 -0.169 17827 9363 1 19 . 1 1 73 73 GLU H H 66 8.969 8.969 8.548 0.421 17827 9364 1 19 . 1 1 74 74 LYS N N 67 117.492 117.492 118.811 -1.319 17827 9365 1 19 . 1 1 74 74 LYS HA H 67 3.702 3.702 3.844 -0.142 17827 9366 1 19 . 1 1 74 74 LYS C C 67 176.361 176.361 176.523 -0.162 17827 9367 1 19 . 1 1 74 74 LYS CA C 67 58.660 58.660 58.193 0.467 17827 9368 1 19 . 1 1 74 74 LYS CB C 67 32.020 32.020 31.917 0.103 17827 9369 1 19 . 1 1 74 74 LYS H H 67 7.860 7.860 8.147 -0.287 17827 9370 1 19 . 1 1 75 75 LYS N N 68 121.233 121.233 115.710 5.523 17827 9371 1 19 . 1 1 75 75 LYS HA H 68 3.935 3.935 3.840 0.095 17827 9372 1 19 . 1 1 75 75 LYS C C 68 174.183 174.183 175.826 -1.643 17827 9373 1 19 . 1 1 75 75 LYS CA C 68 53.400 53.400 54.617 -1.217 17827 9374 1 19 . 1 1 75 75 LYS CB C 68 32.200 32.200 31.839 0.361 17827 9375 1 19 . 1 1 75 75 LYS H H 68 7.500 7.500 6.909 0.591 17827 9376 1 19 . 1 1 76 76 ARG N N 69 121.125 121.125 117.066 4.059 17827 9377 1 19 . 1 1 76 76 ARG HA H 69 2.890 2.890 3.139 -0.249 17827 9378 1 19 . 1 1 76 76 ARG C C 69 173.984 173.984 174.427 -0.443 17827 9379 1 19 . 1 1 76 76 ARG CA C 69 56.316 56.316 55.900 0.416 17827 9380 1 19 . 1 1 76 76 ARG CB C 69 27.090 27.090 26.191 0.899 17827 9381 1 19 . 1 1 76 76 ARG H H 69 7.500 7.500 7.584 -0.084 17827 9382 1 19 . 1 1 77 77 THR N N 70 110.478 110.478 112.047 -1.569 17827 9383 1 19 . 1 1 77 77 THR HA H 70 4.650 4.650 4.289 0.361 17827 9384 1 19 . 1 1 77 77 THR C C 70 171.846 171.846 172.727 -0.881 17827 9385 1 19 . 1 1 77 77 THR CA C 70 61.630 61.630 59.763 1.867 17827 9386 1 19 . 1 1 77 77 THR CB C 70 72.210 72.210 70.777 1.433 17827 9387 1 19 . 1 1 77 77 THR H H 70 6.280 6.280 6.990 -0.710 17827 9388 1 19 . 1 1 78 78 TRP N N 71 127.244 127.244 124.286 2.958 17827 9389 1 19 . 1 1 78 78 TRP HA H 71 4.750 4.750 5.469 -0.719 17827 9390 1 19 . 1 1 78 78 TRP C C 71 177.303 177.303 176.348 0.955 17827 9391 1 19 . 1 1 78 78 TRP CA C 71 56.240 56.240 55.993 0.247 17827 9392 1 19 . 1 1 78 78 TRP CB C 71 30.500 30.500 30.446 0.054 17827 9393 1 19 . 1 1 78 78 TRP H H 71 8.795 8.795 8.339 0.456 17827 9394 1 19 . 1 1 79 79 LEU N N 72 125.202 125.202 123.015 2.187 17827 9395 1 19 . 1 1 79 79 LEU HA H 72 4.500 4.500 4.767 -0.267 17827 9396 1 19 . 1 1 79 79 LEU C C 72 175.667 175.667 176.502 -0.835 17827 9397 1 19 . 1 1 79 79 LEU CA C 72 52.510 52.510 54.303 -1.793 17827 9398 1 19 . 1 1 79 79 LEU CB C 72 38.240 38.240 41.877 -3.637 17827 9399 1 19 . 1 1 79 79 LEU H H 72 9.175 9.175 8.286 0.890 17827 9400 1 19 . 1 1 80 80 LEU N N 73 119.170 119.170 124.035 -4.865 17827 9401 1 19 . 1 1 80 80 LEU HA H 73 4.380 4.380 4.593 -0.213 17827 9402 1 19 . 1 1 80 80 LEU C C 73 178.139 178.139 176.711 1.428 17827 9403 1 19 . 1 1 80 80 LEU CA C 73 54.700 54.700 54.931 -0.231 17827 9404 1 19 . 1 1 80 80 LEU CB C 73 42.170 42.170 42.458 -0.288 17827 9405 1 19 . 1 1 80 80 LEU H H 73 7.280 7.280 8.659 -1.379 17827 9406 1 19 . 1 1 81 81 LYS N N 74 119.766 119.766 118.717 1.049 17827 9407 1 19 . 1 1 81 81 LYS HA H 74 4.435 4.435 4.325 0.110 17827 9408 1 19 . 1 1 81 81 LYS C C 74 176.601 176.601 176.839 -0.238 17827 9409 1 19 . 1 1 81 81 LYS CA C 74 54.660 54.660 56.886 -2.225 17827 9410 1 19 . 1 1 81 81 LYS CB C 74 28.540 28.540 32.799 -4.259 17827 9411 1 19 . 1 1 81 81 LYS H H 74 7.865 7.865 7.931 -0.066 17827 9412 1 19 . 1 1 82 82 THR N N 75 115.636 115.636 114.364 1.272 17827 9413 1 19 . 1 1 82 82 THR HA H 75 3.800 3.800 4.247 -0.447 17827 9414 1 19 . 1 1 82 82 THR C C 75 174.806 174.806 175.028 -0.222 17827 9415 1 19 . 1 1 82 82 THR CA C 75 64.650 64.650 63.284 1.366 17827 9416 1 19 . 1 1 82 82 THR CB C 75 68.260 68.260 69.252 -0.992 17827 9417 1 19 . 1 1 82 82 THR H H 75 7.910 7.910 8.525 -0.615 17827 9418 1 19 . 1 1 83 83 HIS N N 76 116.767 116.767 117.969 -1.202 17827 9419 1 19 . 1 1 83 83 HIS C C 76 176.370 176.370 174.508 1.862 17827 9420 1 19 . 1 1 83 83 HIS CB C 76 30.210 30.210 30.012 0.198 17827 9421 1 19 . 1 1 83 83 HIS H H 76 8.965 8.965 8.203 0.762 17827 9422 1 19 . 1 1 84 84 TRP N N 77 123.905 123.905 118.916 4.989 17827 9423 1 19 . 1 1 84 84 TRP C C 77 175.584 175.584 175.287 0.297 17827 9424 1 19 . 1 1 84 84 TRP CB C 77 30.390 30.390 28.239 2.151 17827 9425 1 19 . 1 1 84 84 TRP H H 77 7.635 7.635 7.529 0.106 17827 9426 1 19 . 1 1 85 85 THR N N 78 108.440 108.440 114.342 -5.902 17827 9427 1 19 . 1 1 85 85 THR HA H 78 4.900 4.900 4.128 0.772 17827 9428 1 19 . 1 1 85 85 THR C C 78 175.691 175.691 176.203 -0.512 17827 9429 1 19 . 1 1 85 85 THR CA C 78 59.500 59.500 63.808 -4.308 17827 9430 1 19 . 1 1 85 85 THR CB C 78 70.600 70.600 69.828 0.772 17827 9431 1 19 . 1 1 85 85 THR H H 78 7.030 7.030 7.653 -0.623 17827 9432 1 19 . 1 1 86 86 LEU N N 79 119.766 119.766 118.077 1.689 17827 9433 1 19 . 1 1 86 86 LEU HA H 79 4.040 4.040 4.165 -0.125 17827 9434 1 19 . 1 1 86 86 LEU C C 79 179.734 179.734 178.578 1.156 17827 9435 1 19 . 1 1 86 86 LEU CA C 79 58.750 58.750 58.252 0.498 17827 9436 1 19 . 1 1 86 86 LEU CB C 79 40.450 40.450 41.539 -1.089 17827 9437 1 19 . 1 1 86 86 LEU H H 79 8.045 8.045 8.615 -0.570 17827 9438 1 19 . 1 1 87 87 ASP N N 80 118.407 118.407 119.858 -1.451 17827 9439 1 19 . 1 1 87 87 ASP HA H 80 4.440 4.440 4.631 -0.191 17827 9440 1 19 . 1 1 87 87 ASP C C 80 179.152 179.152 178.129 1.023 17827 9441 1 19 . 1 1 87 87 ASP CA C 80 57.320 57.320 56.736 0.584 17827 9442 1 19 . 1 1 87 87 ASP CB C 80 40.320 40.320 40.300 0.020 17827 9443 1 19 . 1 1 87 87 ASP H H 80 8.935 8.935 8.583 0.352 17827 9444 1 19 . 1 1 88 88 LYS N N 81 123.300 123.300 118.816 4.484 17827 9445 1 19 . 1 1 88 88 LYS HA H 81 3.700 3.700 3.850 -0.150 17827 9446 1 19 . 1 1 88 88 LYS C C 81 178.721 178.721 178.316 0.405 17827 9447 1 19 . 1 1 88 88 LYS CA C 81 59.020 59.020 59.099 -0.079 17827 9448 1 19 . 1 1 88 88 LYS CB C 81 31.640 31.640 31.959 -0.319 17827 9449 1 19 . 1 1 88 88 LYS H H 81 8.055 8.055 7.884 0.171 17827 9450 1 19 . 1 1 89 89 TYR N N 82 115.690 115.690 118.075 -2.385 17827 9451 1 19 . 1 1 89 89 TYR HA H 82 4.580 4.580 4.495 0.085 17827 9452 1 19 . 1 1 89 89 TYR C C 82 176.164 176.164 176.594 -0.430 17827 9453 1 19 . 1 1 89 89 TYR CA C 82 61.750 61.750 60.134 1.616 17827 9454 1 19 . 1 1 89 89 TYR CB C 82 40.750 40.750 39.520 1.230 17827 9455 1 19 . 1 1 89 89 TYR H H 82 7.730 7.730 7.817 -0.087 17827 9456 1 19 . 1 1 90 90 GLY N N 83 108.212 108.212 106.819 1.393 17827 9457 1 19 . 1 1 90 90 GLY C C 83 174.555 174.555 174.167 0.388 17827 9458 1 19 . 1 1 90 90 GLY CA C 83 45.510 45.510 44.697 0.813 17827 9459 1 19 . 1 1 90 90 GLY H H 83 8.030 8.030 7.973 0.057 17827 9460 1 19 . 1 1 91 91 ILE N N 84 122.960 122.960 120.681 2.279 17827 9461 1 19 . 1 1 91 91 ILE HA H 84 3.370 3.370 4.267 -0.897 17827 9462 1 19 . 1 1 91 91 ILE C C 84 173.611 173.611 175.049 -1.438 17827 9463 1 19 . 1 1 91 91 ILE CA C 84 61.700 61.700 60.910 0.790 17827 9464 1 19 . 1 1 91 91 ILE CB C 84 37.610 37.610 39.435 -1.825 17827 9465 1 19 . 1 1 91 91 ILE H H 84 7.850 7.850 8.078 -0.228 17827 9466 1 19 . 1 1 92 92 GLN N N 85 125.429 125.429 123.675 1.754 17827 9467 1 19 . 1 1 92 92 GLN HA H 85 3.880 3.880 4.230 -0.350 17827 9468 1 19 . 1 1 92 92 GLN C C 85 174.756 174.756 174.927 -0.171 17827 9469 1 19 . 1 1 92 92 GLN CA C 85 53.720 53.720 54.899 -1.179 17827 9470 1 19 . 1 1 92 92 GLN CB C 85 31.150 31.150 30.933 0.216 17827 9471 1 19 . 1 1 92 92 GLN H H 85 7.700 7.700 8.198 -0.498 17827 9472 1 19 . 1 1 93 93 ALA N N 86 118.217 118.217 120.699 -2.482 17827 9473 1 19 . 1 1 93 93 ALA HA H 86 3.800 3.800 3.760 0.040 17827 9474 1 19 . 1 1 93 93 ALA C C 86 177.201 177.201 177.477 -0.276 17827 9475 1 19 . 1 1 93 93 ALA CA C 86 54.080 54.080 53.188 0.892 17827 9476 1 19 . 1 1 93 93 ALA CB C 86 18.410 18.410 18.238 0.171 17827 9477 1 19 . 1 1 93 93 ALA H H 86 6.886 6.886 7.869 -0.983 17827 9478 1 19 . 1 1 94 94 ASP N N 87 113.647 113.647 117.136 -3.489 17827 9479 1 19 . 1 1 94 94 ASP HA H 87 4.420 4.420 4.519 -0.099 17827 9480 1 19 . 1 1 94 94 ASP C C 87 176.218 176.218 175.042 1.176 17827 9481 1 19 . 1 1 94 94 ASP CA C 87 54.060 54.060 53.250 0.810 17827 9482 1 19 . 1 1 94 94 ASP CB C 87 39.600 39.600 41.113 -1.513 17827 9483 1 19 . 1 1 94 94 ASP H H 87 8.223 8.223 8.012 0.211 17827 9484 1 19 . 1 1 95 95 ALA N N 88 124.145 124.145 122.445 1.700 17827 9485 1 19 . 1 1 95 95 ALA HA H 88 4.306 4.306 4.467 -0.161 17827 9486 1 19 . 1 1 95 95 ALA C C 88 176.630 176.630 176.359 0.271 17827 9487 1 19 . 1 1 95 95 ALA CA C 88 53.320 53.320 51.495 1.825 17827 9488 1 19 . 1 1 95 95 ALA CB C 88 20.020 20.020 19.679 0.341 17827 9489 1 19 . 1 1 95 95 ALA H H 88 7.941 7.941 7.017 0.924 17827 9490 1 19 . 1 1 96 96 LYS N N 89 120.897 120.897 126.237 -5.340 17827 9491 1 19 . 1 1 96 96 LYS HA H 89 4.826 4.826 4.641 0.185 17827 9492 1 19 . 1 1 96 96 LYS C C 89 176.161 176.161 176.198 -0.037 17827 9493 1 19 . 1 1 96 96 LYS CA C 89 54.736 54.736 55.307 -0.571 17827 9494 1 19 . 1 1 96 96 LYS CB C 89 32.390 32.390 31.925 0.465 17827 9495 1 19 . 1 1 96 96 LYS H H 89 8.500 8.500 8.627 -0.127 17827 9496 1 19 . 1 1 97 97 LEU N N 90 122.960 122.960 124.667 -1.707 17827 9497 1 19 . 1 1 97 97 LEU HA H 90 5.075 5.075 4.303 0.772 17827 9498 1 19 . 1 1 97 97 LEU C C 90 176.394 176.394 176.162 0.232 17827 9499 1 19 . 1 1 97 97 LEU CA C 90 53.060 53.060 54.905 -1.845 17827 9500 1 19 . 1 1 97 97 LEU CB C 90 44.850 44.850 42.984 1.866 17827 9501 1 19 . 1 1 97 97 LEU H H 90 8.566 8.566 8.570 -0.004 17827 9502 1 19 . 1 1 98 98 GLN N N 91 119.538 119.538 114.260 5.278 17827 9503 1 19 . 1 1 98 98 GLN HA H 91 5.710 5.710 4.855 0.855 17827 9504 1 19 . 1 1 98 98 GLN C C 91 174.144 174.144 174.560 -0.416 17827 9505 1 19 . 1 1 98 98 GLN CA C 91 54.360 54.360 54.549 -0.189 17827 9506 1 19 . 1 1 98 98 GLN CB C 91 32.290 32.290 32.911 -0.621 17827 9507 1 19 . 1 1 98 98 GLN H H 91 9.060 9.060 7.806 1.254 17827 9508 1 19 . 1 1 99 99 PHE N N 92 125.674 125.674 120.345 5.329 17827 9509 1 19 . 1 1 99 99 PHE HA H 92 5.700 5.700 5.314 0.386 17827 9510 1 19 . 1 1 99 99 PHE C C 92 174.537 174.537 174.245 0.292 17827 9511 1 19 . 1 1 99 99 PHE CA C 92 54.190 54.190 55.966 -1.776 17827 9512 1 19 . 1 1 99 99 PHE CB C 92 41.080 41.080 43.708 -2.628 17827 9513 1 19 . 1 1 99 99 PHE H H 92 9.290 9.290 9.713 -0.423 17827 9514 1 19 . 1 1 100 100 THR N N 93 124.543 124.543 118.752 5.791 17827 9515 1 19 . 1 1 100 100 THR HA H 93 5.100 5.100 4.843 0.257 17827 9516 1 19 . 1 1 100 100 THR C C 93 180.164 180.164 172.222 7.942 17827 9517 1 19 . 1 1 100 100 THR CA C 93 58.830 58.830 59.172 -0.341 17827 9518 1 19 . 1 1 100 100 THR CB C 93 73.610 73.610 70.905 2.705 17827 9519 1 19 . 1 1 100 100 THR H H 93 8.945 8.945 9.801 -0.856 17827 9520 1 20 . 1 1 9 9 ALA N N 2 124.336 124.336 122.230 2.106 17827 9521 1 20 . 1 1 9 9 ALA HA H 2 4.210 4.210 4.793 -0.583 17827 9522 1 20 . 1 1 9 9 ALA C C 2 177.598 177.598 177.242 0.356 17827 9523 1 20 . 1 1 9 9 ALA CA C 2 52.440 52.440 51.821 0.619 17827 9524 1 20 . 1 1 9 9 ALA CB C 2 19.030 19.030 18.528 0.502 17827 9525 1 20 . 1 1 9 9 ALA H H 2 8.018 8.018 8.549 -0.531 17827 9526 1 20 . 1 1 10 10 LEU N N 3 121.125 121.125 122.081 -0.956 17827 9527 1 20 . 1 1 10 10 LEU HA H 3 4.210 4.210 4.104 0.106 17827 9528 1 20 . 1 1 10 10 LEU C C 3 177.094 177.094 176.934 0.160 17827 9529 1 20 . 1 1 10 10 LEU CA C 3 55.320 55.320 55.749 -0.429 17827 9530 1 20 . 1 1 10 10 LEU CB C 3 42.170 42.170 41.853 0.317 17827 9531 1 20 . 1 1 10 10 LEU H H 3 8.057 8.057 8.057 -0.000 17827 9532 1 20 . 1 1 11 11 ASP N N 4 119.766 119.766 117.017 2.749 17827 9533 1 20 . 1 1 11 11 ASP HA H 4 4.475 4.475 4.434 0.041 17827 9534 1 20 . 1 1 11 11 ASP C C 4 176.509 176.509 177.543 -1.034 17827 9535 1 20 . 1 1 11 11 ASP CA C 4 54.550 54.550 55.365 -0.815 17827 9536 1 20 . 1 1 11 11 ASP CB C 4 40.950 40.950 40.403 0.548 17827 9537 1 20 . 1 1 11 11 ASP H H 4 8.145 8.145 8.427 -0.282 17827 9538 1 20 . 1 1 12 12 GLY N N 5 108.440 108.440 107.474 0.966 17827 9539 1 20 . 1 1 12 12 GLY C C 5 173.692 173.692 175.589 -1.897 17827 9540 1 20 . 1 1 12 12 GLY CA C 5 45.310 45.310 45.164 0.146 17827 9541 1 20 . 1 1 12 12 GLY H H 5 8.110 8.110 8.512 -0.402 17827 9542 1 20 . 1 1 13 13 ILE N N 6 119.766 119.766 119.808 -0.042 17827 9543 1 20 . 1 1 13 13 ILE HA H 6 4.100 4.100 3.637 0.463 17827 9544 1 20 . 1 1 13 13 ILE C C 6 175.525 175.525 177.303 -1.778 17827 9545 1 20 . 1 1 13 13 ILE CA C 6 60.710 60.710 63.386 -2.676 17827 9546 1 20 . 1 1 13 13 ILE CB C 6 38.430 38.430 37.346 1.084 17827 9547 1 20 . 1 1 13 13 ILE H H 6 7.790 7.790 7.970 -0.180 17827 9548 1 20 . 1 1 14 14 ARG N N 7 125.657 125.657 117.775 7.882 17827 9549 1 20 . 1 1 14 14 ARG HA H 7 4.210 4.210 4.023 0.187 17827 9550 1 20 . 1 1 14 14 ARG C C 7 175.810 175.810 177.070 -1.260 17827 9551 1 20 . 1 1 14 14 ARG CA C 7 55.640 55.640 58.318 -2.678 17827 9552 1 20 . 1 1 14 14 ARG CB C 7 30.990 30.990 30.552 0.438 17827 9553 1 20 . 1 1 14 14 ARG H H 7 8.410 8.410 7.735 0.675 17827 9554 1 20 . 1 1 15 15 MET N N 8 123.598 123.598 112.722 10.876 17827 9555 1 20 . 1 1 15 15 MET HA H 8 4.210 4.210 5.085 -0.875 17827 9556 1 20 . 1 1 15 15 MET C C 8 174.950 174.950 173.473 1.477 17827 9557 1 20 . 1 1 15 15 MET CA C 8 55.330 55.330 54.135 1.195 17827 9558 1 20 . 1 1 15 15 MET CB C 8 31.730 31.730 32.403 -0.673 17827 9559 1 20 . 1 1 15 15 MET H H 8 8.495 8.495 8.029 0.466 17827 9560 1 20 . 1 1 16 16 PRO HA H 9 4.290 4.290 4.517 -0.227 17827 9561 1 20 . 1 1 16 16 PRO C C 9 176.228 176.228 176.386 -0.158 17827 9562 1 20 . 1 1 16 16 PRO CA C 9 63.370 63.370 64.608 -1.238 17827 9563 1 20 . 1 1 16 16 PRO CB C 9 31.820 31.820 31.075 0.745 17827 9564 1 20 . 1 1 17 17 ASP N N 10 117.952 117.952 117.427 0.525 17827 9565 1 20 . 1 1 17 17 ASP HA H 10 4.420 4.420 4.513 -0.093 17827 9566 1 20 . 1 1 17 17 ASP C C 10 176.714 176.714 176.938 -0.224 17827 9567 1 20 . 1 1 17 17 ASP CA C 10 54.130 54.130 54.228 -0.098 17827 9568 1 20 . 1 1 17 17 ASP CB C 10 40.430 40.430 40.803 -0.373 17827 9569 1 20 . 1 1 17 17 ASP H H 10 8.076 8.076 7.911 0.165 17827 9570 1 20 . 1 1 18 18 GLY N N 11 108.663 108.663 105.882 2.781 17827 9571 1 20 . 1 1 18 18 GLY C C 11 173.819 173.819 174.305 -0.486 17827 9572 1 20 . 1 1 18 18 GLY CA C 11 45.300 45.300 45.157 0.143 17827 9573 1 20 . 1 1 18 18 GLY H H 11 8.255 8.255 7.717 0.538 17827 9574 1 20 . 1 1 19 19 CYS N N 12 118.179 118.179 119.226 -1.047 17827 9575 1 20 . 1 1 19 19 CYS HA H 12 4.550 4.550 4.083 0.467 17827 9576 1 20 . 1 1 19 19 CYS C C 12 174.073 174.073 174.433 -0.360 17827 9577 1 20 . 1 1 19 19 CYS CA C 12 58.420 58.420 61.114 -2.694 17827 9578 1 20 . 1 1 19 19 CYS CB C 12 28.400 28.400 28.526 -0.126 17827 9579 1 20 . 1 1 19 19 CYS H H 12 7.850 7.850 8.089 -0.239 17827 9580 1 20 . 1 1 20 20 TYR N N 13 120.897 120.897 118.734 2.163 17827 9581 1 20 . 1 1 20 20 TYR HA H 13 4.550 4.550 4.532 0.018 17827 9582 1 20 . 1 1 20 20 TYR C C 13 176.748 176.748 175.826 0.922 17827 9583 1 20 . 1 1 20 20 TYR CA C 13 58.470 58.470 58.584 -0.114 17827 9584 1 20 . 1 1 20 20 TYR CB C 13 39.210 39.210 39.154 0.056 17827 9585 1 20 . 1 1 20 20 TYR H H 13 8.550 8.550 8.026 0.524 17827 9586 1 20 . 1 1 21 21 ALA N N 14 124.750 124.750 122.860 1.890 17827 9587 1 20 . 1 1 21 21 ALA HA H 14 4.190 4.190 4.413 -0.223 17827 9588 1 20 . 1 1 21 21 ALA C C 14 177.181 177.181 178.096 -0.915 17827 9589 1 20 . 1 1 21 21 ALA CA C 14 53.530 53.530 52.715 0.815 17827 9590 1 20 . 1 1 21 21 ALA CB C 14 18.630 18.630 19.134 -0.504 17827 9591 1 20 . 1 1 21 21 ALA H H 14 8.615 8.615 8.827 -0.212 17827 9592 1 20 . 1 1 22 22 ASP N N 15 117.500 117.500 119.755 -2.255 17827 9593 1 20 . 1 1 22 22 ASP HA H 15 4.480 4.480 4.694 -0.214 17827 9594 1 20 . 1 1 22 22 ASP C C 15 176.708 176.708 176.756 -0.048 17827 9595 1 20 . 1 1 22 22 ASP CA C 15 53.500 53.500 54.094 -0.594 17827 9596 1 20 . 1 1 22 22 ASP CB C 15 40.730 40.730 41.098 -0.368 17827 9597 1 20 . 1 1 22 22 ASP H H 15 7.960 7.960 8.684 -0.724 17827 9598 1 20 . 1 1 23 23 GLY N N 16 108.891 108.891 107.022 1.869 17827 9599 1 20 . 1 1 23 23 GLY C C 16 174.373 174.373 174.217 0.156 17827 9600 1 20 . 1 1 23 23 GLY CA C 16 45.370 45.370 45.072 0.298 17827 9601 1 20 . 1 1 23 23 GLY H H 16 8.344 8.344 8.086 0.258 17827 9602 1 20 . 1 1 24 24 THR N N 17 110.929 110.929 110.771 0.158 17827 9603 1 20 . 1 1 24 24 THR HA H 17 4.640 4.640 4.440 0.200 17827 9604 1 20 . 1 1 24 24 THR C C 17 173.620 173.620 173.726 -0.106 17827 9605 1 20 . 1 1 24 24 THR CA C 17 60.540 60.540 60.537 0.003 17827 9606 1 20 . 1 1 24 24 THR CB C 17 72.100 72.100 69.986 2.115 17827 9607 1 20 . 1 1 24 24 THR H H 17 7.850 7.850 7.409 0.441 17827 9608 1 20 . 1 1 25 25 TRP N N 18 117.728 117.728 117.608 0.120 17827 9609 1 20 . 1 1 25 25 TRP HA H 18 4.945 4.945 4.917 0.028 17827 9610 1 20 . 1 1 25 25 TRP C C 18 174.164 174.164 173.986 0.178 17827 9611 1 20 . 1 1 25 25 TRP CA C 18 54.620 54.620 56.229 -1.609 17827 9612 1 20 . 1 1 25 25 TRP CB C 18 30.650 30.650 30.251 0.399 17827 9613 1 20 . 1 1 25 25 TRP H H 18 8.640 8.640 7.572 1.068 17827 9614 1 20 . 1 1 26 26 GLU N N 19 117.728 117.728 118.694 -0.966 17827 9615 1 20 . 1 1 26 26 GLU HA H 19 4.851 4.851 4.819 0.032 17827 9616 1 20 . 1 1 26 26 GLU C C 19 174.786 174.786 174.569 0.217 17827 9617 1 20 . 1 1 26 26 GLU CA C 19 55.710 55.710 54.824 0.886 17827 9618 1 20 . 1 1 26 26 GLU CB C 19 31.500 31.500 32.407 -0.907 17827 9619 1 20 . 1 1 26 26 GLU H H 19 8.744 8.744 8.516 0.228 17827 9620 1 20 . 1 1 27 27 LEU N N 20 126.668 126.668 119.487 7.181 17827 9621 1 20 . 1 1 27 27 LEU HA H 20 4.880 4.880 4.722 0.158 17827 9622 1 20 . 1 1 27 27 LEU C C 20 175.123 175.123 175.372 -0.249 17827 9623 1 20 . 1 1 27 27 LEU CA C 20 53.252 53.252 53.487 -0.235 17827 9624 1 20 . 1 1 27 27 LEU CB C 20 45.280 45.280 46.745 -1.465 17827 9625 1 20 . 1 1 27 27 LEU H H 20 8.980 8.980 8.766 0.214 17827 9626 1 20 . 1 1 28 28 SER N N 21 121.804 121.804 117.614 4.190 17827 9627 1 20 . 1 1 28 28 SER HA H 21 4.894 4.894 5.035 -0.141 17827 9628 1 20 . 1 1 28 28 SER C C 21 173.483 173.483 172.873 0.610 17827 9629 1 20 . 1 1 28 28 SER CA C 21 57.880 57.880 56.716 1.164 17827 9630 1 20 . 1 1 28 28 SER CB C 21 63.920 63.920 64.470 -0.550 17827 9631 1 20 . 1 1 28 28 SER H H 21 8.785 8.785 8.537 0.248 17827 9632 1 20 . 1 1 29 29 VAL N N 22 125.881 125.881 122.555 3.326 17827 9633 1 20 . 1 1 29 29 VAL HA H 22 4.370 4.370 4.407 -0.037 17827 9634 1 20 . 1 1 29 29 VAL C C 22 173.953 173.953 174.971 -1.018 17827 9635 1 20 . 1 1 29 29 VAL CA C 22 60.440 60.440 60.147 0.293 17827 9636 1 20 . 1 1 29 29 VAL CB C 22 34.350 34.350 35.877 -1.527 17827 9637 1 20 . 1 1 29 29 VAL H H 22 8.865 8.865 8.380 0.485 17827 9638 1 20 . 1 1 30 30 HIS N N 23 126.560 126.560 123.811 2.749 17827 9639 1 20 . 1 1 30 30 HIS HA H 23 5.220 5.220 4.819 0.401 17827 9640 1 20 . 1 1 30 30 HIS C C 23 174.596 174.596 173.912 0.684 17827 9641 1 20 . 1 1 30 30 HIS CA C 23 55.250 55.250 55.505 -0.255 17827 9642 1 20 . 1 1 30 30 HIS CB C 23 30.550 30.550 33.166 -2.616 17827 9643 1 20 . 1 1 30 30 HIS H H 23 8.810 8.810 8.531 0.279 17827 9644 1 20 . 1 1 31 31 VAL N N 24 130.587 130.587 128.544 2.043 17827 9645 1 20 . 1 1 31 31 VAL HA H 24 5.230 5.230 4.653 0.577 17827 9646 1 20 . 1 1 31 31 VAL C C 24 177.426 177.426 175.273 2.153 17827 9647 1 20 . 1 1 31 31 VAL CA C 24 55.530 55.530 62.474 -6.944 17827 9648 1 20 . 1 1 31 31 VAL CB C 24 31.040 31.040 31.436 -0.396 17827 9649 1 20 . 1 1 31 31 VAL H H 24 9.043 9.043 8.708 0.335 17827 9650 1 20 . 1 1 32 32 THR N N 25 122.484 122.484 121.203 1.281 17827 9651 1 20 . 1 1 32 32 THR HA H 25 3.970 3.970 4.497 -0.527 17827 9652 1 20 . 1 1 32 32 THR C C 25 177.437 177.437 175.139 2.298 17827 9653 1 20 . 1 1 32 32 THR CA C 25 66.470 66.470 62.504 3.966 17827 9654 1 20 . 1 1 32 32 THR CB C 25 68.220 68.220 69.850 -1.630 17827 9655 1 20 . 1 1 32 32 THR H H 25 8.245 8.245 8.274 -0.029 17827 9656 1 20 . 1 1 34 34 VAL N N 27 114.090 114.090 116.853 -2.763 17827 9657 1 20 . 1 1 34 34 VAL HA H 27 4.500 4.500 4.202 0.298 17827 9658 1 20 . 1 1 34 34 VAL CA C 27 54.220 54.220 62.506 -8.286 17827 9659 1 20 . 1 1 34 34 VAL CB C 27 27.060 27.060 33.740 -6.680 17827 9660 1 20 . 1 1 34 34 VAL H H 27 6.977 6.977 7.408 -0.431 17827 9661 1 20 . 1 1 35 35 ASN N N 28 116.829 116.829 117.175 -0.346 17827 9662 1 20 . 1 1 35 35 ASN HA H 28 4.299 4.299 4.499 -0.200 17827 9663 1 20 . 1 1 35 35 ASN CA C 28 53.650 53.650 54.523 -0.873 17827 9664 1 20 . 1 1 35 35 ASN CB C 28 37.110 37.110 37.740 -0.630 17827 9665 1 20 . 1 1 35 35 ASN H H 28 7.897 7.897 8.440 -0.543 17827 9666 1 20 . 1 1 36 36 ARG N N 29 114.310 114.310 118.086 -3.776 17827 9667 1 20 . 1 1 36 36 ARG HA H 29 4.700 4.700 4.614 0.086 17827 9668 1 20 . 1 1 36 36 ARG C C 29 173.347 173.347 174.261 -0.914 17827 9669 1 20 . 1 1 36 36 ARG CA C 29 54.900 54.900 54.917 -0.017 17827 9670 1 20 . 1 1 36 36 ARG CB C 29 34.700 34.700 31.836 2.864 17827 9671 1 20 . 1 1 36 36 ARG H H 29 6.787 6.787 7.619 -0.832 17827 9672 1 20 . 1 1 37 37 ASP N N 30 124.071 124.071 117.926 6.145 17827 9673 1 20 . 1 1 37 37 ASP HA H 30 5.475 5.475 4.665 0.810 17827 9674 1 20 . 1 1 37 37 ASP C C 30 175.354 175.354 174.670 0.684 17827 9675 1 20 . 1 1 37 37 ASP CA C 30 53.660 53.660 53.461 0.199 17827 9676 1 20 . 1 1 37 37 ASP CB C 30 42.260 42.260 42.189 0.071 17827 9677 1 20 . 1 1 37 37 ASP H H 30 8.760 8.760 8.419 0.341 17827 9678 1 20 . 1 1 38 38 VAL N N 31 123.300 123.300 118.932 4.368 17827 9679 1 20 . 1 1 38 38 VAL HA H 31 4.270 4.270 4.570 -0.300 17827 9680 1 20 . 1 1 38 38 VAL C C 31 174.203 174.203 174.330 -0.127 17827 9681 1 20 . 1 1 38 38 VAL CA C 31 60.700 60.700 60.169 0.531 17827 9682 1 20 . 1 1 38 38 VAL CB C 31 34.620 34.620 36.180 -1.560 17827 9683 1 20 . 1 1 38 38 VAL H H 31 9.187 9.187 7.879 1.308 17827 9684 1 20 . 1 1 39 39 THR N N 32 119.766 119.766 113.298 6.468 17827 9685 1 20 . 1 1 39 39 THR HA H 32 5.095 5.095 4.891 0.204 17827 9686 1 20 . 1 1 39 39 THR C C 32 173.547 173.547 173.166 0.381 17827 9687 1 20 . 1 1 39 39 THR CA C 32 60.550 60.550 59.886 0.664 17827 9688 1 20 . 1 1 39 39 THR CB C 32 70.170 70.170 71.026 -0.856 17827 9689 1 20 . 1 1 39 39 THR H H 32 8.360 8.360 8.136 0.224 17827 9690 1 20 . 1 1 40 40 LEU N N 33 124.522 124.522 123.362 1.160 17827 9691 1 20 . 1 1 40 40 LEU HA H 33 4.590 4.590 4.738 -0.148 17827 9692 1 20 . 1 1 40 40 LEU C C 33 174.691 174.691 175.954 -1.263 17827 9693 1 20 . 1 1 40 40 LEU CA C 33 52.580 52.580 53.646 -1.066 17827 9694 1 20 . 1 1 40 40 LEU CB C 33 45.410 45.410 44.643 0.767 17827 9695 1 20 . 1 1 40 40 LEU H H 33 8.750 8.750 8.253 0.497 17827 9696 1 20 . 1 1 41 41 ARG N N 34 122.712 122.712 124.245 -1.533 17827 9697 1 20 . 1 1 41 41 ARG HA H 34 4.680 4.680 4.755 -0.075 17827 9698 1 20 . 1 1 41 41 ARG C C 34 175.700 175.700 174.923 0.777 17827 9699 1 20 . 1 1 41 41 ARG CA C 34 55.420 55.420 54.594 0.826 17827 9700 1 20 . 1 1 41 41 ARG CB C 34 29.500 29.500 28.578 0.922 17827 9701 1 20 . 1 1 41 41 ARG H H 34 8.345 8.345 8.840 -0.495 17827 9702 1 20 . 1 1 42 42 VAL N N 35 117.728 117.728 115.961 1.767 17827 9703 1 20 . 1 1 42 42 VAL HA H 35 4.465 4.465 4.617 -0.152 17827 9704 1 20 . 1 1 42 42 VAL C C 35 173.184 173.184 173.997 -0.813 17827 9705 1 20 . 1 1 42 42 VAL CA C 35 58.670 58.670 59.017 -0.347 17827 9706 1 20 . 1 1 42 42 VAL CB C 35 36.050 36.050 35.047 1.004 17827 9707 1 20 . 1 1 42 42 VAL H H 35 8.640 8.640 7.685 0.955 17827 9708 1 20 . 1 1 43 43 THR N N 36 104.359 104.359 108.578 -4.219 17827 9709 1 20 . 1 1 43 43 THR HA H 36 4.660 4.660 2.414 2.246 17827 9710 1 20 . 1 1 43 43 THR C C 36 174.862 174.862 175.095 -0.233 17827 9711 1 20 . 1 1 43 43 THR CA C 36 59.010 59.010 59.334 -0.324 17827 9712 1 20 . 1 1 43 43 THR CB C 36 71.570 71.570 71.415 0.155 17827 9713 1 20 . 1 1 43 43 THR H H 36 6.220 6.220 7.903 -1.683 17827 9714 1 20 . 1 1 44 44 GLY N N 37 105.946 105.946 107.347 -1.401 17827 9715 1 20 . 1 1 44 44 GLY C C 37 173.394 173.394 174.670 -1.276 17827 9716 1 20 . 1 1 44 44 GLY CA C 37 46.830 46.830 46.565 0.265 17827 9717 1 20 . 1 1 44 44 GLY H H 37 9.160 9.160 8.700 0.460 17827 9718 1 20 . 1 1 45 45 GLU N N 38 113.875 113.875 117.470 -3.595 17827 9719 1 20 . 1 1 45 45 GLU HA H 38 4.290 4.290 4.257 0.033 17827 9720 1 20 . 1 1 45 45 GLU C C 38 176.167 176.167 176.579 -0.412 17827 9721 1 20 . 1 1 45 45 GLU CA C 38 55.500 55.500 55.942 -0.442 17827 9722 1 20 . 1 1 45 45 GLU CB C 38 30.950 30.950 29.585 1.365 17827 9723 1 20 . 1 1 45 45 GLU H H 38 7.500 7.500 7.337 0.163 17827 9724 1 20 . 1 1 46 46 VAL N N 39 121.577 121.577 122.129 -0.552 17827 9725 1 20 . 1 1 46 46 VAL HA H 39 3.820 3.820 3.929 -0.109 17827 9726 1 20 . 1 1 46 46 VAL C C 39 174.651 174.651 175.110 -0.459 17827 9727 1 20 . 1 1 46 46 VAL CA C 39 63.920 63.920 62.178 1.742 17827 9728 1 20 . 1 1 46 46 VAL CB C 39 31.590 31.590 32.705 -1.115 17827 9729 1 20 . 1 1 46 46 VAL H H 39 7.260 7.260 7.489 -0.229 17827 9730 1 20 . 1 1 47 47 HIS N N 40 123.391 123.391 125.715 -2.324 17827 9731 1 20 . 1 1 47 47 HIS HA H 40 5.212 5.212 4.635 0.577 17827 9732 1 20 . 1 1 47 47 HIS C C 40 177.440 177.440 176.600 0.840 17827 9733 1 20 . 1 1 47 47 HIS CA C 40 54.660 54.660 57.173 -2.513 17827 9734 1 20 . 1 1 47 47 HIS CB C 40 30.910 30.910 30.898 0.012 17827 9735 1 20 . 1 1 47 47 HIS H H 40 8.285 8.285 8.393 -0.108 17827 9736 1 20 . 1 1 48 48 ILE N N 41 124.071 124.071 124.322 -0.251 17827 9737 1 20 . 1 1 48 48 ILE HA H 41 3.530 3.530 3.858 -0.328 17827 9738 1 20 . 1 1 48 48 ILE C C 41 178.941 178.941 177.699 1.242 17827 9739 1 20 . 1 1 48 48 ILE CA C 41 62.330 62.330 65.727 -3.397 17827 9740 1 20 . 1 1 48 48 ILE CB C 41 34.230 34.230 37.874 -3.644 17827 9741 1 20 . 1 1 48 48 ILE H H 41 8.863 8.863 7.901 0.962 17827 9742 1 20 . 1 1 49 49 GLY N N 42 106.853 106.853 104.444 2.409 17827 9743 1 20 . 1 1 49 49 GLY C C 42 175.669 175.669 175.575 0.094 17827 9744 1 20 . 1 1 49 49 GLY CA C 42 45.320 45.320 46.367 -1.046 17827 9745 1 20 . 1 1 49 49 GLY H H 42 9.720 9.720 8.800 0.920 17827 9746 1 20 . 1 1 50 50 GLY N N 43 109.571 109.571 109.134 0.437 17827 9747 1 20 . 1 1 50 50 GLY C C 43 175.847 175.847 175.658 0.189 17827 9748 1 20 . 1 1 50 50 GLY CA C 43 47.000 47.000 45.748 1.252 17827 9749 1 20 . 1 1 50 50 GLY H H 43 6.950 6.950 8.242 -1.292 17827 9750 1 20 . 1 1 51 51 VAL N N 44 123.163 123.163 124.738 -1.575 17827 9751 1 20 . 1 1 51 51 VAL HA H 44 3.115 3.115 3.692 -0.577 17827 9752 1 20 . 1 1 51 51 VAL C C 44 176.804 176.804 178.086 -1.282 17827 9753 1 20 . 1 1 51 51 VAL CA C 44 66.660 66.660 67.015 -0.355 17827 9754 1 20 . 1 1 51 51 VAL CB C 44 30.730 30.730 31.798 -1.068 17827 9755 1 20 . 1 1 51 51 VAL H H 44 7.860 7.860 8.637 -0.777 17827 9756 1 20 . 1 1 52 52 MET N N 45 115.913 115.913 117.328 -1.415 17827 9757 1 20 . 1 1 52 52 MET HA H 45 3.410 3.410 4.335 -0.925 17827 9758 1 20 . 1 1 52 52 MET C C 45 176.881 176.881 178.293 -1.412 17827 9759 1 20 . 1 1 52 52 MET CA C 45 59.830 59.830 59.634 0.196 17827 9760 1 20 . 1 1 52 52 MET CB C 45 32.310 32.310 31.921 0.389 17827 9761 1 20 . 1 1 52 52 MET H H 45 7.940 7.940 7.867 0.073 17827 9762 1 20 . 1 1 53 53 LEU N N 46 118.291 118.291 121.611 -3.320 17827 9763 1 20 . 1 1 53 53 LEU HA H 46 3.940 3.940 3.929 0.011 17827 9764 1 20 . 1 1 53 53 LEU C C 46 179.178 179.178 179.190 -0.012 17827 9765 1 20 . 1 1 53 53 LEU CA C 46 58.500 58.500 58.105 0.395 17827 9766 1 20 . 1 1 53 53 LEU CB C 46 41.930 41.930 41.071 0.859 17827 9767 1 20 . 1 1 53 53 LEU H H 46 7.550 7.550 7.760 -0.210 17827 9768 1 20 . 1 1 54 54 LYS N N 47 118.142 118.142 119.376 -1.234 17827 9769 1 20 . 1 1 54 54 LYS HA H 47 3.870 3.870 4.220 -0.350 17827 9770 1 20 . 1 1 54 54 LYS C C 47 178.616 178.616 179.328 -0.712 17827 9771 1 20 . 1 1 54 54 LYS CA C 47 57.980 57.980 59.124 -1.144 17827 9772 1 20 . 1 1 54 54 LYS CB C 47 32.320 32.320 32.098 0.222 17827 9773 1 20 . 1 1 54 54 LYS H H 47 7.665 7.665 8.465 -0.800 17827 9774 1 20 . 1 1 55 55 LEU N N 48 119.385 119.385 120.528 -1.143 17827 9775 1 20 . 1 1 55 55 LEU HA H 48 3.570 3.570 4.308 -0.738 17827 9776 1 20 . 1 1 55 55 LEU C C 48 177.405 177.405 177.953 -0.548 17827 9777 1 20 . 1 1 55 55 LEU CA C 48 57.790 57.790 57.917 -0.127 17827 9778 1 20 . 1 1 55 55 LEU CB C 48 41.590 41.590 41.962 -0.372 17827 9779 1 20 . 1 1 55 55 LEU H H 48 7.975 7.975 7.832 0.143 17827 9780 1 20 . 1 1 56 56 VAL N N 49 116.141 116.141 119.821 -3.680 17827 9781 1 20 . 1 1 56 56 VAL HA H 49 2.990 2.990 3.582 -0.592 17827 9782 1 20 . 1 1 56 56 VAL C C 49 178.564 178.564 177.911 0.653 17827 9783 1 20 . 1 1 56 56 VAL CA C 49 66.310 66.310 67.014 -0.704 17827 9784 1 20 . 1 1 56 56 VAL CB C 49 31.300 31.300 31.517 -0.217 17827 9785 1 20 . 1 1 56 56 VAL H H 49 7.615 7.615 8.932 -1.317 17827 9786 1 20 . 1 1 57 57 GLU N N 50 118.631 118.631 117.397 1.234 17827 9787 1 20 . 1 1 57 57 GLU HA H 50 3.965 3.965 4.008 -0.043 17827 9788 1 20 . 1 1 57 57 GLU C C 50 178.030 178.030 178.030 0.000 17827 9789 1 20 . 1 1 57 57 GLU CA C 50 58.500 58.500 58.838 -0.338 17827 9790 1 20 . 1 1 57 57 GLU CB C 50 29.610 29.610 29.607 0.003 17827 9791 1 20 . 1 1 57 57 GLU H H 50 7.575 7.575 8.627 -1.052 17827 9792 1 20 . 1 1 58 58 LYS N N 51 117.053 117.053 118.775 -1.722 17827 9793 1 20 . 1 1 58 58 LYS HA H 51 4.130 4.130 4.055 0.075 17827 9794 1 20 . 1 1 58 58 LYS C C 51 176.956 176.956 178.194 -1.238 17827 9795 1 20 . 1 1 58 58 LYS CA C 51 56.660 56.660 58.452 -1.792 17827 9796 1 20 . 1 1 58 58 LYS CB C 51 32.660 32.660 32.799 -0.139 17827 9797 1 20 . 1 1 58 58 LYS H H 51 7.490 7.490 7.349 0.141 17827 9798 1 20 . 1 1 59 59 LEU N N 52 119.460 119.460 120.344 -0.884 17827 9799 1 20 . 1 1 59 59 LEU HA H 52 4.122 4.122 4.065 0.057 17827 9800 1 20 . 1 1 59 59 LEU C C 52 176.645 176.645 176.270 0.375 17827 9801 1 20 . 1 1 59 59 LEU CA C 52 56.660 56.660 55.924 0.736 17827 9802 1 20 . 1 1 59 59 LEU CB C 52 42.700 42.700 42.488 0.212 17827 9803 1 20 . 1 1 59 59 LEU H H 52 7.470 7.470 7.863 -0.393 17827 9804 1 20 . 1 1 62 62 LYS C C 55 175.670 175.670 175.154 0.516 17827 9805 1 20 . 1 1 63 63 LYS N N 56 122.430 122.430 120.741 1.689 17827 9806 1 20 . 1 1 63 63 LYS HA H 56 4.030 4.030 4.524 -0.494 17827 9807 1 20 . 1 1 63 63 LYS C C 56 172.850 172.850 176.061 -3.211 17827 9808 1 20 . 1 1 63 63 LYS CA C 56 54.530 54.530 56.403 -1.873 17827 9809 1 20 . 1 1 63 63 LYS CB C 56 34.440 34.440 33.533 0.907 17827 9810 1 20 . 1 1 63 63 LYS H H 56 7.245 7.245 8.028 -0.783 17827 9811 1 20 . 1 1 64 64 ASP N N 57 118.867 118.867 120.845 -1.978 17827 9812 1 20 . 1 1 64 64 ASP HA H 57 4.530 4.530 4.456 0.074 17827 9813 1 20 . 1 1 64 64 ASP C C 57 176.710 176.710 175.504 1.206 17827 9814 1 20 . 1 1 64 64 ASP CA C 57 52.500 52.500 53.450 -0.950 17827 9815 1 20 . 1 1 64 64 ASP CB C 57 40.320 40.320 41.314 -0.994 17827 9816 1 20 . 1 1 64 64 ASP H H 57 7.867 7.867 8.290 -0.423 17827 9817 1 20 . 1 1 65 65 TRP N N 58 128.827 128.827 120.034 8.793 17827 9818 1 20 . 1 1 65 65 TRP HA H 58 4.540 4.540 4.684 -0.144 17827 9819 1 20 . 1 1 65 65 TRP C C 58 178.390 178.390 177.914 0.476 17827 9820 1 20 . 1 1 65 65 TRP CA C 58 52.860 52.860 58.879 -6.019 17827 9821 1 20 . 1 1 65 65 TRP CB C 58 29.420 29.420 28.852 0.567 17827 9822 1 20 . 1 1 65 65 TRP H H 58 8.790 8.790 7.106 1.684 17827 9823 1 20 . 1 1 66 66 SER N N 59 117.724 117.724 116.119 1.605 17827 9824 1 20 . 1 1 66 66 SER HA H 59 4.143 4.143 4.111 0.032 17827 9825 1 20 . 1 1 66 66 SER C C 59 174.471 174.471 175.802 -1.331 17827 9826 1 20 . 1 1 66 66 SER CA C 59 62.350 62.350 60.700 1.649 17827 9827 1 20 . 1 1 66 66 SER CB C 59 63.110 63.110 62.040 1.070 17827 9828 1 20 . 1 1 66 66 SER H H 59 8.637 8.637 8.560 0.077 17827 9829 1 20 . 1 1 67 67 ASP N N 60 121.042 121.042 121.342 -0.300 17827 9830 1 20 . 1 1 67 67 ASP C C 60 176.206 176.206 176.719 -0.513 17827 9831 1 20 . 1 1 67 67 ASP CB C 60 42.560 42.560 40.844 1.716 17827 9832 1 20 . 1 1 67 67 ASP H H 60 8.895 8.895 8.291 0.604 17827 9833 1 20 . 1 1 68 68 HIS N N 61 121.519 121.519 117.864 3.655 17827 9834 1 20 . 1 1 68 68 HIS HA H 61 4.490 4.490 4.105 0.385 17827 9835 1 20 . 1 1 68 68 HIS C C 61 174.546 174.546 173.535 1.011 17827 9836 1 20 . 1 1 68 68 HIS CA C 61 57.940 57.940 56.358 1.582 17827 9837 1 20 . 1 1 68 68 HIS CB C 61 39.410 39.410 31.099 8.311 17827 9838 1 20 . 1 1 68 68 HIS H H 61 7.958 7.958 7.569 0.389 17827 9839 1 20 . 1 1 69 69 ALA N N 62 122.256 122.256 117.992 4.264 17827 9840 1 20 . 1 1 69 69 ALA C C 62 175.294 175.294 174.711 0.583 17827 9841 1 20 . 1 1 69 69 ALA CB C 62 22.470 22.470 22.669 -0.199 17827 9842 1 20 . 1 1 69 69 ALA H H 62 8.575 8.575 8.671 -0.096 17827 9843 1 20 . 1 1 70 70 LEU N N 63 118.904 118.904 119.901 -0.997 17827 9844 1 20 . 1 1 70 70 LEU HA H 63 5.654 5.654 4.929 0.725 17827 9845 1 20 . 1 1 70 70 LEU C C 63 174.445 174.445 176.516 -2.071 17827 9846 1 20 . 1 1 70 70 LEU CA C 63 53.930 53.930 53.075 0.855 17827 9847 1 20 . 1 1 70 70 LEU CB C 63 44.300 44.300 42.587 1.713 17827 9848 1 20 . 1 1 70 70 LEU H H 63 9.150 9.150 8.621 0.529 17827 9849 1 20 . 1 1 71 71 TRP N N 64 125.367 125.367 127.332 -1.965 17827 9850 1 20 . 1 1 71 71 TRP C C 64 174.010 174.010 174.626 -0.616 17827 9851 1 20 . 1 1 71 71 TRP CB C 64 32.210 32.210 30.922 1.288 17827 9852 1 20 . 1 1 71 71 TRP H H 64 9.590 9.590 8.703 0.887 17827 9853 1 20 . 1 1 72 72 TRP N N 65 129.982 129.982 129.285 0.697 17827 9854 1 20 . 1 1 72 72 TRP HA H 65 4.980 4.980 4.964 0.016 17827 9855 1 20 . 1 1 72 72 TRP C C 65 174.335 174.335 175.891 -1.556 17827 9856 1 20 . 1 1 72 72 TRP CA C 65 51.440 51.440 55.428 -3.987 17827 9857 1 20 . 1 1 72 72 TRP CB C 65 30.490 30.490 31.954 -1.464 17827 9858 1 20 . 1 1 72 72 TRP H H 65 8.277 8.277 8.800 -0.523 17827 9859 1 20 . 1 1 73 73 GLU N N 66 129.112 129.112 126.914 2.198 17827 9860 1 20 . 1 1 73 73 GLU HA H 66 3.300 3.300 3.727 -0.427 17827 9861 1 20 . 1 1 73 73 GLU C C 66 178.595 178.595 177.357 1.238 17827 9862 1 20 . 1 1 73 73 GLU CA C 66 59.920 59.920 59.061 0.859 17827 9863 1 20 . 1 1 73 73 GLU CB C 66 29.060 29.060 28.843 0.217 17827 9864 1 20 . 1 1 73 73 GLU H H 66 8.969 8.969 8.885 0.084 17827 9865 1 20 . 1 1 74 74 LYS N N 67 117.492 117.492 117.663 -0.171 17827 9866 1 20 . 1 1 74 74 LYS HA H 67 3.702 3.702 3.316 0.386 17827 9867 1 20 . 1 1 74 74 LYS C C 67 176.361 176.361 176.865 -0.504 17827 9868 1 20 . 1 1 74 74 LYS CA C 67 58.660 58.660 57.876 0.784 17827 9869 1 20 . 1 1 74 74 LYS CB C 67 32.020 32.020 31.701 0.319 17827 9870 1 20 . 1 1 74 74 LYS H H 67 7.860 7.860 6.338 1.522 17827 9871 1 20 . 1 1 75 75 LYS N N 68 121.233 121.233 114.023 7.210 17827 9872 1 20 . 1 1 75 75 LYS HA H 68 3.935 3.935 4.344 -0.409 17827 9873 1 20 . 1 1 75 75 LYS C C 68 174.183 174.183 175.071 -0.888 17827 9874 1 20 . 1 1 75 75 LYS CA C 68 53.400 53.400 55.626 -2.226 17827 9875 1 20 . 1 1 75 75 LYS CB C 68 32.200 32.200 33.883 -1.683 17827 9876 1 20 . 1 1 75 75 LYS H H 68 7.500 7.500 7.171 0.329 17827 9877 1 20 . 1 1 76 76 ARG N N 69 121.125 121.125 117.573 3.552 17827 9878 1 20 . 1 1 76 76 ARG HA H 69 2.890 2.890 4.357 -1.467 17827 9879 1 20 . 1 1 76 76 ARG C C 69 173.984 173.984 174.874 -0.890 17827 9880 1 20 . 1 1 76 76 ARG CA C 69 56.316 56.316 56.976 -0.660 17827 9881 1 20 . 1 1 76 76 ARG CB C 69 27.090 27.090 27.402 -0.312 17827 9882 1 20 . 1 1 76 76 ARG H H 69 7.500 7.500 7.835 -0.335 17827 9883 1 20 . 1 1 77 77 THR N N 70 110.478 110.478 114.018 -3.540 17827 9884 1 20 . 1 1 77 77 THR HA H 70 4.650 4.650 3.731 0.919 17827 9885 1 20 . 1 1 77 77 THR C C 70 171.846 171.846 172.403 -0.557 17827 9886 1 20 . 1 1 77 77 THR CA C 70 61.630 61.630 60.322 1.308 17827 9887 1 20 . 1 1 77 77 THR CB C 70 72.210 72.210 70.295 1.915 17827 9888 1 20 . 1 1 77 77 THR H H 70 6.280 6.280 7.635 -1.355 17827 9889 1 20 . 1 1 78 78 TRP N N 71 127.244 127.244 125.336 1.908 17827 9890 1 20 . 1 1 78 78 TRP HA H 71 4.750 4.750 5.200 -0.450 17827 9891 1 20 . 1 1 78 78 TRP C C 71 177.303 177.303 176.342 0.961 17827 9892 1 20 . 1 1 78 78 TRP CA C 71 56.240 56.240 55.184 1.056 17827 9893 1 20 . 1 1 78 78 TRP CB C 71 30.500 30.500 30.369 0.131 17827 9894 1 20 . 1 1 78 78 TRP H H 71 8.795 8.795 7.419 1.376 17827 9895 1 20 . 1 1 79 79 LEU N N 72 125.202 125.202 121.386 3.816 17827 9896 1 20 . 1 1 79 79 LEU HA H 72 4.500 4.500 4.679 -0.179 17827 9897 1 20 . 1 1 79 79 LEU C C 72 175.667 175.667 177.117 -1.450 17827 9898 1 20 . 1 1 79 79 LEU CA C 72 52.510 52.510 54.446 -1.936 17827 9899 1 20 . 1 1 79 79 LEU CB C 72 38.240 38.240 41.341 -3.101 17827 9900 1 20 . 1 1 79 79 LEU H H 72 9.175 9.175 8.043 1.132 17827 9901 1 20 . 1 1 80 80 LEU N N 73 119.170 119.170 123.957 -4.787 17827 9902 1 20 . 1 1 80 80 LEU HA H 73 4.380 4.380 4.516 -0.136 17827 9903 1 20 . 1 1 80 80 LEU C C 73 178.139 178.139 177.062 1.077 17827 9904 1 20 . 1 1 80 80 LEU CA C 73 54.700 54.700 55.198 -0.498 17827 9905 1 20 . 1 1 80 80 LEU CB C 73 42.170 42.170 42.373 -0.203 17827 9906 1 20 . 1 1 80 80 LEU H H 73 7.280 7.280 8.439 -1.159 17827 9907 1 20 . 1 1 81 81 LYS N N 74 119.766 119.766 119.194 0.572 17827 9908 1 20 . 1 1 81 81 LYS HA H 74 4.435 4.435 4.257 0.178 17827 9909 1 20 . 1 1 81 81 LYS C C 74 176.601 176.601 176.024 0.577 17827 9910 1 20 . 1 1 81 81 LYS CA C 74 54.660 54.660 56.619 -1.959 17827 9911 1 20 . 1 1 81 81 LYS CB C 74 28.540 28.540 32.863 -4.323 17827 9912 1 20 . 1 1 81 81 LYS H H 74 7.865 7.865 7.745 0.120 17827 9913 1 20 . 1 1 82 82 THR N N 75 115.636 115.636 114.319 1.317 17827 9914 1 20 . 1 1 82 82 THR HA H 75 3.800 3.800 4.375 -0.575 17827 9915 1 20 . 1 1 82 82 THR C C 75 174.806 174.806 176.565 -1.759 17827 9916 1 20 . 1 1 82 82 THR CA C 75 64.650 64.650 64.818 -0.168 17827 9917 1 20 . 1 1 82 82 THR CB C 75 68.260 68.260 69.148 -0.888 17827 9918 1 20 . 1 1 82 82 THR H H 75 7.910 7.910 8.366 -0.456 17827 9919 1 20 . 1 1 83 83 HIS N N 76 116.767 116.767 121.704 -4.937 17827 9920 1 20 . 1 1 83 83 HIS C C 76 176.370 176.370 176.409 -0.039 17827 9921 1 20 . 1 1 83 83 HIS CB C 76 30.210 30.210 29.538 0.672 17827 9922 1 20 . 1 1 83 83 HIS H H 76 8.965 8.965 8.679 0.286 17827 9923 1 20 . 1 1 84 84 TRP N N 77 123.905 123.905 120.432 3.473 17827 9924 1 20 . 1 1 84 84 TRP C C 77 175.584 175.584 176.238 -0.654 17827 9925 1 20 . 1 1 84 84 TRP CB C 77 30.390 30.390 26.636 3.754 17827 9926 1 20 . 1 1 84 84 TRP H H 77 7.635 7.635 8.555 -0.920 17827 9927 1 20 . 1 1 85 85 THR N N 78 108.440 108.440 114.722 -6.282 17827 9928 1 20 . 1 1 85 85 THR HA H 78 4.900 4.900 4.207 0.693 17827 9929 1 20 . 1 1 85 85 THR C C 78 175.691 175.691 176.245 -0.554 17827 9930 1 20 . 1 1 85 85 THR CA C 78 59.500 59.500 63.249 -3.749 17827 9931 1 20 . 1 1 85 85 THR CB C 78 70.600 70.600 69.581 1.019 17827 9932 1 20 . 1 1 85 85 THR H H 78 7.030 7.030 8.511 -1.481 17827 9933 1 20 . 1 1 86 86 LEU N N 79 119.766 119.766 120.287 -0.521 17827 9934 1 20 . 1 1 86 86 LEU HA H 79 4.040 4.040 4.262 -0.222 17827 9935 1 20 . 1 1 86 86 LEU C C 79 179.734 179.734 179.220 0.514 17827 9936 1 20 . 1 1 86 86 LEU CA C 79 58.750 58.750 58.263 0.487 17827 9937 1 20 . 1 1 86 86 LEU CB C 79 40.450 40.450 39.986 0.464 17827 9938 1 20 . 1 1 86 86 LEU H H 79 8.045 8.045 9.018 -0.973 17827 9939 1 20 . 1 1 87 87 ASP N N 80 118.407 118.407 119.385 -0.978 17827 9940 1 20 . 1 1 87 87 ASP HA H 80 4.440 4.440 4.351 0.089 17827 9941 1 20 . 1 1 87 87 ASP C C 80 179.152 179.152 178.262 0.890 17827 9942 1 20 . 1 1 87 87 ASP CA C 80 57.320 57.320 57.122 0.198 17827 9943 1 20 . 1 1 87 87 ASP CB C 80 40.320 40.320 40.459 -0.139 17827 9944 1 20 . 1 1 87 87 ASP H H 80 8.935 8.935 8.765 0.170 17827 9945 1 20 . 1 1 88 88 LYS N N 81 123.300 123.300 119.542 3.758 17827 9946 1 20 . 1 1 88 88 LYS HA H 81 3.700 3.700 3.850 -0.150 17827 9947 1 20 . 1 1 88 88 LYS C C 81 178.721 178.721 178.920 -0.199 17827 9948 1 20 . 1 1 88 88 LYS CA C 81 59.020 59.020 58.818 0.202 17827 9949 1 20 . 1 1 88 88 LYS CB C 81 31.640 31.640 31.925 -0.285 17827 9950 1 20 . 1 1 88 88 LYS H H 81 8.055 8.055 7.924 0.131 17827 9951 1 20 . 1 1 89 89 TYR N N 82 115.690 115.690 116.482 -0.792 17827 9952 1 20 . 1 1 89 89 TYR HA H 82 4.580 4.580 4.277 0.303 17827 9953 1 20 . 1 1 89 89 TYR C C 82 176.164 176.164 176.255 -0.091 17827 9954 1 20 . 1 1 89 89 TYR CA C 82 61.750 61.750 59.856 1.894 17827 9955 1 20 . 1 1 89 89 TYR CB C 82 40.750 40.750 39.310 1.440 17827 9956 1 20 . 1 1 89 89 TYR H H 82 7.730 7.730 7.753 -0.023 17827 9957 1 20 . 1 1 90 90 GLY N N 83 108.212 108.212 105.736 2.476 17827 9958 1 20 . 1 1 90 90 GLY C C 83 174.555 174.555 174.456 0.099 17827 9959 1 20 . 1 1 90 90 GLY CA C 83 45.510 45.510 45.026 0.484 17827 9960 1 20 . 1 1 90 90 GLY H H 83 8.030 8.030 7.811 0.219 17827 9961 1 20 . 1 1 91 91 ILE N N 84 122.960 122.960 120.370 2.590 17827 9962 1 20 . 1 1 91 91 ILE HA H 84 3.370 3.370 4.260 -0.890 17827 9963 1 20 . 1 1 91 91 ILE C C 84 173.611 173.611 175.098 -1.487 17827 9964 1 20 . 1 1 91 91 ILE CA C 84 61.700 61.700 61.013 0.687 17827 9965 1 20 . 1 1 91 91 ILE CB C 84 37.610 37.610 39.495 -1.885 17827 9966 1 20 . 1 1 91 91 ILE H H 84 7.850 7.850 8.036 -0.186 17827 9967 1 20 . 1 1 92 92 GLN N N 85 125.429 125.429 124.194 1.235 17827 9968 1 20 . 1 1 92 92 GLN HA H 85 3.880 3.880 4.000 -0.120 17827 9969 1 20 . 1 1 92 92 GLN C C 85 174.756 174.756 175.067 -0.311 17827 9970 1 20 . 1 1 92 92 GLN CA C 85 53.720 53.720 54.850 -1.130 17827 9971 1 20 . 1 1 92 92 GLN CB C 85 31.150 31.150 30.765 0.385 17827 9972 1 20 . 1 1 92 92 GLN H H 85 7.700 7.700 8.201 -0.501 17827 9973 1 20 . 1 1 93 93 ALA N N 86 118.217 118.217 120.719 -2.502 17827 9974 1 20 . 1 1 93 93 ALA HA H 86 3.800 3.800 4.162 -0.362 17827 9975 1 20 . 1 1 93 93 ALA C C 86 177.201 177.201 177.318 -0.117 17827 9976 1 20 . 1 1 93 93 ALA CA C 86 54.080 54.080 53.163 0.918 17827 9977 1 20 . 1 1 93 93 ALA CB C 86 18.410 18.410 18.731 -0.321 17827 9978 1 20 . 1 1 93 93 ALA H H 86 6.886 6.886 8.042 -1.156 17827 9979 1 20 . 1 1 94 94 ASP N N 87 113.647 113.647 117.595 -3.948 17827 9980 1 20 . 1 1 94 94 ASP HA H 87 4.420 4.420 4.533 -0.113 17827 9981 1 20 . 1 1 94 94 ASP C C 87 176.218 176.218 175.205 1.013 17827 9982 1 20 . 1 1 94 94 ASP CA C 87 54.060 54.060 53.868 0.192 17827 9983 1 20 . 1 1 94 94 ASP CB C 87 39.600 39.600 40.924 -1.324 17827 9984 1 20 . 1 1 94 94 ASP H H 87 8.223 8.223 8.020 0.203 17827 9985 1 20 . 1 1 95 95 ALA N N 88 124.145 124.145 122.678 1.467 17827 9986 1 20 . 1 1 95 95 ALA HA H 88 4.306 4.306 4.518 -0.212 17827 9987 1 20 . 1 1 95 95 ALA C C 88 176.630 176.630 176.081 0.549 17827 9988 1 20 . 1 1 95 95 ALA CA C 88 53.320 53.320 51.422 1.898 17827 9989 1 20 . 1 1 95 95 ALA CB C 88 20.020 20.020 19.435 0.585 17827 9990 1 20 . 1 1 95 95 ALA H H 88 7.941 7.941 7.056 0.885 17827 9991 1 20 . 1 1 96 96 LYS N N 89 120.897 120.897 125.891 -4.994 17827 9992 1 20 . 1 1 96 96 LYS HA H 89 4.826 4.826 4.661 0.165 17827 9993 1 20 . 1 1 96 96 LYS C C 89 176.161 176.161 175.821 0.340 17827 9994 1 20 . 1 1 96 96 LYS CA C 89 54.736 54.736 54.909 -0.173 17827 9995 1 20 . 1 1 96 96 LYS CB C 89 32.390 32.390 32.253 0.137 17827 9996 1 20 . 1 1 96 96 LYS H H 89 8.500 8.500 8.328 0.172 17827 9997 1 20 . 1 1 97 97 LEU N N 90 122.960 122.960 123.913 -0.953 17827 9998 1 20 . 1 1 97 97 LEU HA H 90 5.075 5.075 4.211 0.864 17827 9999 1 20 . 1 1 97 97 LEU C C 90 176.394 176.394 177.289 -0.895 17827 10000 1 20 . 1 1 97 97 LEU CA C 90 53.060 53.060 54.569 -1.509 17827 10001 1 20 . 1 1 97 97 LEU CB C 90 44.850 44.850 42.886 1.964 17827 10002 1 20 . 1 1 97 97 LEU H H 90 8.566 8.566 8.606 -0.040 17827 10003 1 20 . 1 1 98 98 GLN N N 91 119.538 119.538 115.986 3.552 17827 10004 1 20 . 1 1 98 98 GLN HA H 91 5.710 5.710 4.915 0.795 17827 10005 1 20 . 1 1 98 98 GLN C C 91 174.144 174.144 174.624 -0.480 17827 10006 1 20 . 1 1 98 98 GLN CA C 91 54.360 54.360 54.762 -0.402 17827 10007 1 20 . 1 1 98 98 GLN CB C 91 32.290 32.290 32.941 -0.651 17827 10008 1 20 . 1 1 98 98 GLN H H 91 9.060 9.060 8.157 0.903 17827 10009 1 20 . 1 1 99 99 PHE N N 92 125.674 125.674 120.542 5.132 17827 10010 1 20 . 1 1 99 99 PHE HA H 92 5.700 5.700 5.360 0.340 17827 10011 1 20 . 1 1 99 99 PHE C C 92 174.537 174.537 174.021 0.516 17827 10012 1 20 . 1 1 99 99 PHE CA C 92 54.190 54.190 56.627 -2.438 17827 10013 1 20 . 1 1 99 99 PHE CB C 92 41.080 41.080 43.700 -2.620 17827 10014 1 20 . 1 1 99 99 PHE H H 92 9.290 9.290 9.737 -0.447 17827 10015 1 20 . 1 1 100 100 THR N N 93 124.543 124.543 118.435 6.108 17827 10016 1 20 . 1 1 100 100 THR HA H 93 5.100 5.100 4.981 0.119 17827 10017 1 20 . 1 1 100 100 THR C C 93 180.164 180.164 172.082 8.082 17827 10018 1 20 . 1 1 100 100 THR CA C 93 58.830 58.830 59.216 -0.386 17827 10019 1 20 . 1 1 100 100 THR CB C 93 73.610 73.610 70.980 2.630 17827 10020 1 20 . 1 1 100 100 THR H H 93 8.945 8.945 8.711 0.234 17827 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 87 3.386 -0.810 3.307 17827 2 1 1 "Average Difference" HA 88 0.486 -0.033 0.488 17827 3 1 1 "Average Difference" C 87 1.300 0.019 1.307 17827 4 1 1 "Average Difference" CA 83 1.938 0.520 1.878 17827 5 1 1 "Average Difference" CB 81 1.762 0.096 1.770 17827 6 1 1 "Average Difference" HN 87 0.652 0.023 0.655 17827 7 1 2 "Average Difference" N 87 3.480 -0.748 3.418 17827 8 1 2 "Average Difference" HA 88 0.478 -0.016 0.480 17827 9 1 2 "Average Difference" C 87 1.348 -0.138 1.348 17827 10 1 2 "Average Difference" CA 83 1.912 0.483 1.862 17827 11 1 2 "Average Difference" CB 81 1.805 0.095 1.814 17827 12 1 2 "Average Difference" HN 87 0.660 -0.005 0.664 17827 13 1 3 "Average Difference" N 87 3.493 -0.967 3.376 17827 14 1 3 "Average Difference" HA 88 0.474 0.007 0.477 17827 15 1 3 "Average Difference" C 87 1.311 -0.017 1.319 17827 16 1 3 "Average Difference" CA 83 1.872 0.538 1.804 17827 17 1 3 "Average Difference" CB 81 1.784 0.112 1.791 17827 18 1 3 "Average Difference" HN 87 0.633 0.006 0.636 17827 19 1 4 "Average Difference" N 87 3.663 -0.841 3.586 17827 20 1 4 "Average Difference" HA 88 0.478 0.006 0.480 17827 21 1 4 "Average Difference" C 87 1.440 -0.029 1.448 17827 22 1 4 "Average Difference" CA 83 1.980 0.559 1.911 17827 23 1 4 "Average Difference" CB 81 1.796 0.176 1.799 17827 24 1 4 "Average Difference" HN 87 0.640 0.016 0.644 17827 25 1 5 "Average Difference" N 87 3.356 -0.643 3.313 17827 26 1 5 "Average Difference" HA 88 0.458 -0.002 0.460 17827 27 1 5 "Average Difference" C 87 1.271 -0.075 1.276 17827 28 1 5 "Average Difference" CA 83 1.881 0.431 1.842 17827 29 1 5 "Average Difference" CB 81 1.791 0.144 1.796 17827 30 1 5 "Average Difference" HN 87 0.659 -0.014 0.663 17827 31 1 6 "Average Difference" N 87 3.455 -0.951 3.340 17827 32 1 6 "Average Difference" HA 88 0.462 -0.016 0.464 17827 33 1 6 "Average Difference" C 87 1.322 -0.021 1.329 17827 34 1 6 "Average Difference" CA 83 1.978 0.466 1.934 17827 35 1 6 "Average Difference" CB 81 1.800 0.066 1.810 17827 36 1 6 "Average Difference" HN 87 0.616 -0.021 0.619 17827 37 1 7 "Average Difference" N 87 3.544 -0.840 3.463 17827 38 1 7 "Average Difference" HA 88 0.457 -0.027 0.459 17827 39 1 7 "Average Difference" C 87 1.300 -0.051 1.307 17827 40 1 7 "Average Difference" CA 83 1.885 0.448 1.843 17827 41 1 7 "Average Difference" CB 81 1.830 0.078 1.839 17827 42 1 7 "Average Difference" HN 87 0.636 0.009 0.640 17827 43 1 8 "Average Difference" N 87 3.535 -0.688 3.488 17827 44 1 8 "Average Difference" HA 88 0.483 -0.017 0.485 17827 45 1 8 "Average Difference" C 87 1.309 0.044 1.316 17827 46 1 8 "Average Difference" CA 83 1.916 0.524 1.854 17827 47 1 8 "Average Difference" CB 81 1.777 0.051 1.787 17827 48 1 8 "Average Difference" HN 87 0.634 0.011 0.638 17827 49 1 9 "Average Difference" N 87 3.426 -0.890 3.328 17827 50 1 9 "Average Difference" HA 88 0.469 0.014 0.472 17827 51 1 9 "Average Difference" C 87 1.252 0.042 1.258 17827 52 1 9 "Average Difference" CA 83 1.906 0.447 1.864 17827 53 1 9 "Average Difference" CB 81 1.743 0.094 1.751 17827 54 1 9 "Average Difference" HN 87 0.635 0.022 0.638 17827 55 1 10 "Average Difference" N 87 3.249 -0.689 3.193 17827 56 1 10 "Average Difference" HA 88 0.475 -0.022 0.478 17827 57 1 10 "Average Difference" C 87 1.351 0.037 1.358 17827 58 1 10 "Average Difference" CA 83 1.911 0.565 1.837 17827 59 1 10 "Average Difference" CB 81 1.757 0.068 1.767 17827 60 1 10 "Average Difference" HN 87 0.664 0.001 0.668 17827 61 1 11 "Average Difference" N 87 3.550 -0.643 3.512 17827 62 1 11 "Average Difference" HA 88 0.453 0.005 0.455 17827 63 1 11 "Average Difference" C 87 1.344 -0.026 1.352 17827 64 1 11 "Average Difference" CA 83 1.791 0.442 1.747 17827 65 1 11 "Average Difference" CB 81 1.763 0.066 1.773 17827 66 1 11 "Average Difference" HN 87 0.676 0.008 0.680 17827 67 1 12 "Average Difference" N 87 3.497 -0.930 3.391 17827 68 1 12 "Average Difference" HA 88 0.478 0.003 0.481 17827 69 1 12 "Average Difference" C 87 1.263 -0.075 1.268 17827 70 1 12 "Average Difference" CA 83 1.909 0.393 1.879 17827 71 1 12 "Average Difference" CB 81 1.824 0.168 1.827 17827 72 1 12 "Average Difference" HN 87 0.624 0.003 0.627 17827 73 1 13 "Average Difference" N 87 3.427 -0.528 3.406 17827 74 1 13 "Average Difference" HA 88 0.466 0.011 0.468 17827 75 1 13 "Average Difference" C 87 1.333 0.100 1.337 17827 76 1 13 "Average Difference" CA 83 1.867 0.544 1.797 17827 77 1 13 "Average Difference" CB 81 1.763 -0.010 1.774 17827 78 1 13 "Average Difference" HN 87 0.716 -0.008 0.720 17827 79 1 14 "Average Difference" N 87 3.472 -0.804 3.398 17827 80 1 14 "Average Difference" HA 88 0.498 -0.004 0.501 17827 81 1 14 "Average Difference" C 87 1.301 -0.094 1.305 17827 82 1 14 "Average Difference" CA 83 1.897 0.504 1.840 17827 83 1 14 "Average Difference" CB 81 1.789 0.135 1.795 17827 84 1 14 "Average Difference" HN 87 0.655 -0.012 0.659 17827 85 1 15 "Average Difference" N 87 3.333 -0.894 3.229 17827 86 1 15 "Average Difference" HA 88 0.465 -0.025 0.467 17827 87 1 15 "Average Difference" C 87 1.273 0.029 1.280 17827 88 1 15 "Average Difference" CA 83 1.851 0.523 1.786 17827 89 1 15 "Average Difference" CB 81 1.777 0.097 1.785 17827 90 1 15 "Average Difference" HN 87 0.742 -0.015 0.746 17827 91 1 16 "Average Difference" N 87 3.254 -0.646 3.207 17827 92 1 16 "Average Difference" HA 88 0.451 -0.015 0.454 17827 93 1 16 "Average Difference" C 87 1.299 -0.083 1.304 17827 94 1 16 "Average Difference" CA 83 1.908 0.380 1.882 17827 95 1 16 "Average Difference" CB 81 1.901 0.046 1.912 17827 96 1 16 "Average Difference" HN 87 0.626 -0.014 0.630 17827 97 1 17 "Average Difference" N 87 3.646 -0.792 3.580 17827 98 1 17 "Average Difference" HA 88 0.479 -0.003 0.482 17827 99 1 17 "Average Difference" C 87 1.310 0.006 1.317 17827 100 1 17 "Average Difference" CA 83 1.976 0.576 1.902 17827 101 1 17 "Average Difference" CB 81 1.760 0.106 1.767 17827 102 1 17 "Average Difference" HN 87 0.624 -0.005 0.627 17827 103 1 18 "Average Difference" N 87 3.440 -0.994 3.312 17827 104 1 18 "Average Difference" HA 88 0.454 0.000 0.456 17827 105 1 18 "Average Difference" C 87 1.345 0.075 1.350 17827 106 1 18 "Average Difference" CA 83 1.888 0.455 1.844 17827 107 1 18 "Average Difference" CB 81 1.761 0.048 1.772 17827 108 1 18 "Average Difference" HN 87 0.699 -0.029 0.702 17827 109 1 19 "Average Difference" N 87 3.415 -0.965 3.295 17827 110 1 19 "Average Difference" HA 88 0.468 -0.009 0.470 17827 111 1 19 "Average Difference" C 87 1.255 -0.073 1.260 17827 112 1 19 "Average Difference" CA 83 1.956 0.417 1.923 17827 113 1 19 "Average Difference" CB 81 1.801 0.035 1.812 17827 114 1 19 "Average Difference" HN 87 0.644 0.008 0.648 17827 115 1 20 "Average Difference" N 87 3.399 -0.796 3.323 17827 116 1 20 "Average Difference" HA 88 0.493 0.002 0.496 17827 117 1 20 "Average Difference" C 87 1.301 0.073 1.307 17827 118 1 20 "Average Difference" CA 83 1.935 0.504 1.880 17827 119 1 20 "Average Difference" CB 81 1.795 0.019 1.806 17827 120 1 20 "Average Difference" HN 87 0.696 -0.005 0.700 17827 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 17827 _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 9 9 ALA N N 2 124.336 124.336 123.124 1.212 17827 2 1 . 1 1 9 9 ALA HA H 2 4.210 4.210 4.528 -0.318 17827 3 1 . 1 1 9 9 ALA C C 2 177.598 177.598 176.363 1.235 17827 4 1 . 1 1 9 9 ALA CA C 2 52.440 52.440 51.792 0.648 17827 5 1 . 1 1 9 9 ALA CB C 2 19.030 19.030 19.054 -0.023 17827 6 1 . 1 1 9 9 ALA H H 2 8.018 8.018 8.298 -0.280 17827 7 1 . 1 1 10 10 LEU N N 3 121.125 121.125 121.331 -0.206 17827 8 1 . 1 1 10 10 LEU HA H 3 4.210 4.210 4.145 0.065 17827 9 1 . 1 1 10 10 LEU C C 3 177.094 177.094 177.294 -0.199 17827 10 1 . 1 1 10 10 LEU CA C 3 55.320 55.320 56.185 -0.865 17827 11 1 . 1 1 10 10 LEU CB C 3 42.170 42.170 42.132 0.038 17827 12 1 . 1 1 10 10 LEU H H 3 8.057 8.057 8.284 -0.227 17827 13 1 . 1 1 11 11 ASP N N 4 119.766 119.766 117.176 2.590 17827 14 1 . 1 1 11 11 ASP HA H 4 4.475 4.475 4.495 -0.020 17827 15 1 . 1 1 11 11 ASP C C 4 176.509 176.509 176.816 -0.307 17827 16 1 . 1 1 11 11 ASP CA C 4 54.550 54.550 54.921 -0.371 17827 17 1 . 1 1 11 11 ASP CB C 4 40.950 40.950 40.876 0.074 17827 18 1 . 1 1 11 11 ASP H H 4 8.145 8.145 8.327 -0.182 17827 19 1 . 1 1 12 12 GLY N N 5 108.440 108.440 107.432 1.008 17827 20 1 . 1 1 12 12 GLY C C 5 173.692 173.692 175.384 -1.692 17827 21 1 . 1 1 12 12 GLY CA C 5 45.310 45.310 45.389 -0.079 17827 22 1 . 1 1 12 12 GLY H H 5 8.110 8.110 8.272 -0.162 17827 23 1 . 1 1 13 13 ILE N N 6 119.766 119.766 120.276 -0.510 17827 24 1 . 1 1 13 13 ILE HA H 6 4.100 4.100 3.699 0.401 17827 25 1 . 1 1 13 13 ILE C C 6 175.525 175.525 176.936 -1.411 17827 26 1 . 1 1 13 13 ILE CA C 6 60.710 60.710 63.278 -2.568 17827 27 1 . 1 1 13 13 ILE CB C 6 38.430 38.430 37.758 0.672 17827 28 1 . 1 1 13 13 ILE H H 6 7.790 7.790 7.894 -0.104 17827 29 1 . 1 1 14 14 ARG N N 7 125.657 125.657 119.053 6.604 17827 30 1 . 1 1 14 14 ARG HA H 7 4.210 4.210 4.235 -0.025 17827 31 1 . 1 1 14 14 ARG C C 7 175.810 175.810 176.102 -0.292 17827 32 1 . 1 1 14 14 ARG CA C 7 55.640 55.640 57.570 -1.930 17827 33 1 . 1 1 14 14 ARG CB C 7 30.990 30.990 30.949 0.041 17827 34 1 . 1 1 14 14 ARG H H 7 8.410 8.410 8.008 0.402 17827 35 1 . 1 1 15 15 MET N N 8 123.598 123.598 114.723 8.875 17827 36 1 . 1 1 15 15 MET HA H 8 4.210 4.210 4.983 -0.773 17827 37 1 . 1 1 15 15 MET C C 8 174.950 174.950 174.441 0.509 17827 38 1 . 1 1 15 15 MET CA C 8 55.330 55.330 54.241 1.089 17827 39 1 . 1 1 15 15 MET CB C 8 31.730 31.730 32.247 -0.517 17827 40 1 . 1 1 15 15 MET H H 8 8.495 8.495 7.761 0.734 17827 41 1 . 1 1 16 16 PRO HA H 9 4.290 4.290 4.324 -0.034 17827 42 1 . 1 1 16 16 PRO C C 9 176.228 176.228 176.442 -0.214 17827 43 1 . 1 1 16 16 PRO CA C 9 63.370 63.370 64.937 -1.567 17827 44 1 . 1 1 16 16 PRO CB C 9 31.820 31.820 30.967 0.853 17827 45 1 . 1 1 17 17 ASP N N 10 117.952 117.952 115.835 2.117 17827 46 1 . 1 1 17 17 ASP HA H 10 4.420 4.420 4.619 -0.199 17827 47 1 . 1 1 17 17 ASP C C 10 176.714 176.714 176.598 0.116 17827 48 1 . 1 1 17 17 ASP CA C 10 54.130 54.130 54.211 -0.081 17827 49 1 . 1 1 17 17 ASP CB C 10 40.430 40.430 40.768 -0.338 17827 50 1 . 1 1 17 17 ASP H H 10 8.076 8.076 8.048 0.028 17827 51 1 . 1 1 18 18 GLY N N 11 108.663 108.663 105.931 2.732 17827 52 1 . 1 1 18 18 GLY C C 11 173.819 173.819 174.726 -0.907 17827 53 1 . 1 1 18 18 GLY CA C 11 45.300 45.300 45.421 -0.121 17827 54 1 . 1 1 18 18 GLY H H 11 8.255 8.255 7.822 0.433 17827 55 1 . 1 1 19 19 CYS N N 12 118.179 118.179 120.404 -2.225 17827 56 1 . 1 1 19 19 CYS HA H 12 4.550 4.550 4.265 0.284 17827 57 1 . 1 1 19 19 CYS C C 12 174.073 174.073 174.656 -0.583 17827 58 1 . 1 1 19 19 CYS CA C 12 58.420 58.420 61.457 -3.037 17827 59 1 . 1 1 19 19 CYS CB C 12 28.400 28.400 28.115 0.285 17827 60 1 . 1 1 19 19 CYS H H 12 7.850 7.850 8.374 -0.524 17827 61 1 . 1 1 20 20 TYR N N 13 120.897 120.897 119.264 1.633 17827 62 1 . 1 1 20 20 TYR HA H 13 4.550 4.550 4.501 0.050 17827 63 1 . 1 1 20 20 TYR C C 13 176.748 176.748 175.060 1.688 17827 64 1 . 1 1 20 20 TYR CA C 13 58.470 58.470 57.849 0.621 17827 65 1 . 1 1 20 20 TYR CB C 13 39.210 39.210 38.919 0.292 17827 66 1 . 1 1 20 20 TYR H H 13 8.550 8.550 8.028 0.522 17827 67 1 . 1 1 21 21 ALA N N 14 124.750 124.750 124.817 -0.067 17827 68 1 . 1 1 21 21 ALA HA H 14 4.190 4.190 4.126 0.064 17827 69 1 . 1 1 21 21 ALA C C 14 177.181 177.181 177.280 -0.099 17827 70 1 . 1 1 21 21 ALA CA C 14 53.530 53.530 53.479 0.051 17827 71 1 . 1 1 21 21 ALA CB C 14 18.630 18.630 18.842 -0.212 17827 72 1 . 1 1 21 21 ALA H H 14 8.615 8.615 8.112 0.503 17827 73 1 . 1 1 22 22 ASP N N 15 117.500 117.500 119.908 -2.408 17827 74 1 . 1 1 22 22 ASP HA H 15 4.480 4.480 4.579 -0.099 17827 75 1 . 1 1 22 22 ASP C C 15 176.708 176.708 177.066 -0.358 17827 76 1 . 1 1 22 22 ASP CA C 15 53.500 53.500 54.229 -0.729 17827 77 1 . 1 1 22 22 ASP CB C 15 40.730 40.730 41.580 -0.850 17827 78 1 . 1 1 22 22 ASP H H 15 7.960 7.960 8.308 -0.348 17827 79 1 . 1 1 23 23 GLY N N 16 108.891 108.891 108.494 0.397 17827 80 1 . 1 1 23 23 GLY C C 16 174.373 174.373 173.877 0.496 17827 81 1 . 1 1 23 23 GLY CA C 16 45.370 45.370 45.968 -0.598 17827 82 1 . 1 1 23 23 GLY H H 16 8.344 8.344 8.389 -0.045 17827 83 1 . 1 1 24 24 THR N N 17 110.929 110.929 110.676 0.253 17827 84 1 . 1 1 24 24 THR HA H 17 4.640 4.640 4.307 0.333 17827 85 1 . 1 1 24 24 THR C C 17 173.620 173.620 173.341 0.279 17827 86 1 . 1 1 24 24 THR CA C 17 60.540 60.540 60.677 -0.137 17827 87 1 . 1 1 24 24 THR CB C 17 72.100 72.100 70.193 1.907 17827 88 1 . 1 1 24 24 THR H H 17 7.850 7.850 7.474 0.375 17827 89 1 . 1 1 25 25 TRP N N 18 117.728 117.728 118.486 -0.758 17827 90 1 . 1 1 25 25 TRP HA H 18 4.945 4.945 4.945 0.000 17827 91 1 . 1 1 25 25 TRP C C 18 174.164 174.164 173.952 0.212 17827 92 1 . 1 1 25 25 TRP CA C 18 54.620 54.620 56.385 -1.765 17827 93 1 . 1 1 25 25 TRP CB C 18 30.650 30.650 30.168 0.482 17827 94 1 . 1 1 25 25 TRP H H 18 8.640 8.640 7.540 1.100 17827 95 1 . 1 1 26 26 GLU N N 19 117.728 117.728 118.714 -0.986 17827 96 1 . 1 1 26 26 GLU HA H 19 4.851 4.851 4.849 0.002 17827 97 1 . 1 1 26 26 GLU C C 19 174.786 174.786 174.561 0.225 17827 98 1 . 1 1 26 26 GLU CA C 19 55.710 55.710 54.806 0.904 17827 99 1 . 1 1 26 26 GLU CB C 19 31.500 31.500 32.492 -0.992 17827 100 1 . 1 1 26 26 GLU H H 19 8.744 8.744 8.491 0.253 17827 101 1 . 1 1 27 27 LEU N N 20 126.668 126.668 119.287 7.381 17827 102 1 . 1 1 27 27 LEU HA H 20 4.880 4.880 4.739 0.141 17827 103 1 . 1 1 27 27 LEU C C 20 175.123 175.123 175.299 -0.176 17827 104 1 . 1 1 27 27 LEU CA C 20 53.252 53.252 53.581 -0.329 17827 105 1 . 1 1 27 27 LEU CB C 20 45.280 45.280 46.682 -1.402 17827 106 1 . 1 1 27 27 LEU H H 20 8.980 8.980 8.780 0.200 17827 107 1 . 1 1 28 28 SER N N 21 121.804 121.804 117.102 4.702 17827 108 1 . 1 1 28 28 SER HA H 21 4.894 4.894 4.978 -0.084 17827 109 1 . 1 1 28 28 SER C C 21 173.483 173.483 172.855 0.628 17827 110 1 . 1 1 28 28 SER CA C 21 57.880 57.880 57.031 0.849 17827 111 1 . 1 1 28 28 SER CB C 21 63.920 63.920 64.671 -0.751 17827 112 1 . 1 1 28 28 SER H H 21 8.785 8.785 8.480 0.305 17827 113 1 . 1 1 29 29 VAL N N 22 125.881 125.881 122.551 3.330 17827 114 1 . 1 1 29 29 VAL HA H 22 4.370 4.370 4.424 -0.054 17827 115 1 . 1 1 29 29 VAL C C 22 173.953 173.953 174.777 -0.824 17827 116 1 . 1 1 29 29 VAL CA C 22 60.440 60.440 60.203 0.237 17827 117 1 . 1 1 29 29 VAL CB C 22 34.350 34.350 35.709 -1.359 17827 118 1 . 1 1 29 29 VAL H H 22 8.865 8.865 8.364 0.501 17827 119 1 . 1 1 30 30 HIS N N 23 126.560 126.560 123.287 3.273 17827 120 1 . 1 1 30 30 HIS HA H 23 5.220 5.220 4.804 0.416 17827 121 1 . 1 1 30 30 HIS C C 23 174.596 174.596 174.087 0.509 17827 122 1 . 1 1 30 30 HIS CA C 23 55.250 55.250 55.473 -0.223 17827 123 1 . 1 1 30 30 HIS CB C 23 30.550 30.550 32.999 -2.449 17827 124 1 . 1 1 30 30 HIS H H 23 8.810 8.810 8.523 0.287 17827 125 1 . 1 1 31 31 VAL N N 24 130.587 130.587 127.453 3.134 17827 126 1 . 1 1 31 31 VAL HA H 24 5.230 5.230 4.609 0.621 17827 127 1 . 1 1 31 31 VAL C C 24 177.426 177.426 176.268 1.158 17827 128 1 . 1 1 31 31 VAL CA C 24 55.530 55.530 62.117 -6.587 17827 129 1 . 1 1 31 31 VAL CB C 24 31.040 31.040 31.334 -0.294 17827 130 1 . 1 1 31 31 VAL H H 24 9.043 9.043 8.723 0.320 17827 131 1 . 1 1 32 32 THR N N 25 122.484 122.484 120.938 1.546 17827 132 1 . 1 1 32 32 THR HA H 25 3.970 3.970 4.382 -0.412 17827 133 1 . 1 1 32 32 THR C C 25 177.437 177.437 175.598 1.839 17827 134 1 . 1 1 32 32 THR CA C 25 66.470 66.470 63.522 2.948 17827 135 1 . 1 1 32 32 THR CB C 25 68.220 68.220 69.621 -1.401 17827 136 1 . 1 1 32 32 THR H H 25 8.245 8.245 8.671 -0.426 17827 137 1 . 1 1 34 34 VAL N N 27 114.090 114.090 116.229 -2.139 17827 138 1 . 1 1 34 34 VAL HA H 27 4.500 4.500 4.149 0.351 17827 139 1 . 1 1 34 34 VAL CA C 27 54.220 54.220 62.395 -8.175 17827 140 1 . 1 1 34 34 VAL CB C 27 27.060 27.060 33.675 -6.615 17827 141 1 . 1 1 34 34 VAL H H 27 6.977 6.977 7.360 -0.383 17827 142 1 . 1 1 35 35 ASN N N 28 116.829 116.829 116.367 0.462 17827 143 1 . 1 1 35 35 ASN HA H 28 4.299 4.299 4.481 -0.182 17827 144 1 . 1 1 35 35 ASN CA C 28 53.650 53.650 54.290 -0.640 17827 145 1 . 1 1 35 35 ASN CB C 28 37.110 37.110 37.789 -0.679 17827 146 1 . 1 1 35 35 ASN H H 28 7.897 7.897 8.196 -0.299 17827 147 1 . 1 1 36 36 ARG N N 29 114.310 114.310 117.398 -3.088 17827 148 1 . 1 1 36 36 ARG HA H 29 4.700 4.700 4.687 0.013 17827 149 1 . 1 1 36 36 ARG C C 29 173.347 173.347 174.080 -0.733 17827 150 1 . 1 1 36 36 ARG CA C 29 54.900 54.900 54.777 0.123 17827 151 1 . 1 1 36 36 ARG CB C 29 34.700 34.700 32.297 2.403 17827 152 1 . 1 1 36 36 ARG H H 29 6.787 6.787 7.682 -0.895 17827 153 1 . 1 1 37 37 ASP N N 30 124.071 124.071 118.177 5.894 17827 154 1 . 1 1 37 37 ASP HA H 30 5.475 5.475 4.680 0.795 17827 155 1 . 1 1 37 37 ASP C C 30 175.354 175.354 174.579 0.775 17827 156 1 . 1 1 37 37 ASP CA C 30 53.660 53.660 53.324 0.336 17827 157 1 . 1 1 37 37 ASP CB C 30 42.260 42.260 42.695 -0.436 17827 158 1 . 1 1 37 37 ASP H H 30 8.760 8.760 8.406 0.354 17827 159 1 . 1 1 38 38 VAL N N 31 123.300 123.300 118.483 4.817 17827 160 1 . 1 1 38 38 VAL HA H 31 4.270 4.270 4.522 -0.252 17827 161 1 . 1 1 38 38 VAL C C 31 174.203 174.203 174.376 -0.173 17827 162 1 . 1 1 38 38 VAL CA C 31 60.700 60.700 60.041 0.659 17827 163 1 . 1 1 38 38 VAL CB C 31 34.620 34.620 36.212 -1.592 17827 164 1 . 1 1 38 38 VAL H H 31 9.187 9.187 7.930 1.257 17827 165 1 . 1 1 39 39 THR N N 32 119.766 119.766 113.471 6.295 17827 166 1 . 1 1 39 39 THR HA H 32 5.095 5.095 4.894 0.201 17827 167 1 . 1 1 39 39 THR C C 32 173.547 173.547 173.151 0.396 17827 168 1 . 1 1 39 39 THR CA C 32 60.550 60.550 60.048 0.502 17827 169 1 . 1 1 39 39 THR CB C 32 70.170 70.170 71.119 -0.949 17827 170 1 . 1 1 39 39 THR H H 32 8.360 8.360 8.118 0.242 17827 171 1 . 1 1 40 40 LEU N N 33 124.522 124.522 122.526 1.996 17827 172 1 . 1 1 40 40 LEU HA H 33 4.590 4.590 4.638 -0.048 17827 173 1 . 1 1 40 40 LEU C C 33 174.691 174.691 175.844 -1.153 17827 174 1 . 1 1 40 40 LEU CA C 33 52.580 52.580 53.701 -1.121 17827 175 1 . 1 1 40 40 LEU CB C 33 45.410 45.410 44.440 0.970 17827 176 1 . 1 1 40 40 LEU H H 33 8.750 8.750 8.166 0.584 17827 177 1 . 1 1 41 41 ARG N N 34 122.712 122.712 124.448 -1.736 17827 178 1 . 1 1 41 41 ARG HA H 34 4.680 4.680 4.704 -0.024 17827 179 1 . 1 1 41 41 ARG C C 34 175.700 175.700 174.492 1.208 17827 180 1 . 1 1 41 41 ARG CA C 34 55.420 55.420 55.091 0.329 17827 181 1 . 1 1 41 41 ARG CB C 34 29.500 29.500 29.536 -0.036 17827 182 1 . 1 1 41 41 ARG H H 34 8.345 8.345 8.756 -0.411 17827 183 1 . 1 1 42 42 VAL N N 35 117.728 117.728 117.944 -0.216 17827 184 1 . 1 1 42 42 VAL HA H 35 4.465 4.465 4.514 -0.049 17827 185 1 . 1 1 42 42 VAL C C 35 173.184 173.184 173.671 -0.487 17827 186 1 . 1 1 42 42 VAL CA C 35 58.670 58.670 59.180 -0.510 17827 187 1 . 1 1 42 42 VAL CB C 35 36.050 36.050 35.241 0.809 17827 188 1 . 1 1 42 42 VAL H H 35 8.640 8.640 7.823 0.817 17827 189 1 . 1 1 43 43 THR N N 36 104.359 104.359 108.860 -4.501 17827 190 1 . 1 1 43 43 THR HA H 36 4.660 4.660 2.443 2.217 17827 191 1 . 1 1 43 43 THR C C 36 174.862 174.862 175.158 -0.296 17827 192 1 . 1 1 43 43 THR CA C 36 59.010 59.010 59.227 -0.217 17827 193 1 . 1 1 43 43 THR CB C 36 71.570 71.570 71.238 0.332 17827 194 1 . 1 1 43 43 THR H H 36 6.220 6.220 7.860 -1.640 17827 195 1 . 1 1 44 44 GLY N N 37 105.946 105.946 107.259 -1.313 17827 196 1 . 1 1 44 44 GLY C C 37 173.394 173.394 174.544 -1.150 17827 197 1 . 1 1 44 44 GLY CA C 37 46.830 46.830 46.851 -0.021 17827 198 1 . 1 1 44 44 GLY H H 37 9.160 9.160 8.627 0.533 17827 199 1 . 1 1 45 45 GLU N N 38 113.875 113.875 117.316 -3.441 17827 200 1 . 1 1 45 45 GLU HA H 38 4.290 4.290 4.291 -0.001 17827 201 1 . 1 1 45 45 GLU C C 38 176.167 176.167 176.513 -0.346 17827 202 1 . 1 1 45 45 GLU CA C 38 55.500 55.500 55.985 -0.485 17827 203 1 . 1 1 45 45 GLU CB C 38 30.950 30.950 29.794 1.156 17827 204 1 . 1 1 45 45 GLU H H 38 7.500 7.500 7.296 0.204 17827 205 1 . 1 1 46 46 VAL N N 39 121.577 121.577 122.226 -0.649 17827 206 1 . 1 1 46 46 VAL HA H 39 3.820 3.820 3.940 -0.120 17827 207 1 . 1 1 46 46 VAL C C 39 174.651 174.651 175.110 -0.459 17827 208 1 . 1 1 46 46 VAL CA C 39 63.920 63.920 62.128 1.792 17827 209 1 . 1 1 46 46 VAL CB C 39 31.590 31.590 32.819 -1.229 17827 210 1 . 1 1 46 46 VAL H H 39 7.260 7.260 7.608 -0.348 17827 211 1 . 1 1 47 47 HIS N N 40 123.391 123.391 126.158 -2.767 17827 212 1 . 1 1 47 47 HIS HA H 40 5.212 5.212 4.599 0.613 17827 213 1 . 1 1 47 47 HIS C C 40 177.440 177.440 176.480 0.960 17827 214 1 . 1 1 47 47 HIS CA C 40 54.660 54.660 56.252 -1.592 17827 215 1 . 1 1 47 47 HIS CB C 40 30.910 30.910 30.899 0.011 17827 216 1 . 1 1 47 47 HIS H H 40 8.285 8.285 8.403 -0.118 17827 217 1 . 1 1 48 48 ILE N N 41 124.071 124.071 124.315 -0.244 17827 218 1 . 1 1 48 48 ILE HA H 41 3.530 3.530 3.821 -0.291 17827 219 1 . 1 1 48 48 ILE C C 41 178.941 178.941 177.837 1.104 17827 220 1 . 1 1 48 48 ILE CA C 41 62.330 62.330 65.485 -3.155 17827 221 1 . 1 1 48 48 ILE CB C 41 34.230 34.230 37.879 -3.649 17827 222 1 . 1 1 48 48 ILE H H 41 8.863 8.863 8.418 0.445 17827 223 1 . 1 1 49 49 GLY N N 42 106.853 106.853 104.674 2.179 17827 224 1 . 1 1 49 49 GLY C C 42 175.669 175.669 175.397 0.272 17827 225 1 . 1 1 49 49 GLY CA C 42 45.320 45.320 46.256 -0.936 17827 226 1 . 1 1 49 49 GLY H H 42 9.720 9.720 8.676 1.044 17827 227 1 . 1 1 50 50 GLY N N 43 109.571 109.571 109.026 0.545 17827 228 1 . 1 1 50 50 GLY C C 43 175.847 175.847 175.469 0.378 17827 229 1 . 1 1 50 50 GLY CA C 43 47.000 47.000 45.552 1.448 17827 230 1 . 1 1 50 50 GLY H H 43 6.950 6.950 8.233 -1.284 17827 231 1 . 1 1 51 51 VAL N N 44 123.163 123.163 124.640 -1.477 17827 232 1 . 1 1 51 51 VAL HA H 44 3.115 3.115 3.625 -0.510 17827 233 1 . 1 1 51 51 VAL C C 44 176.804 176.804 177.930 -1.126 17827 234 1 . 1 1 51 51 VAL CA C 44 66.660 66.660 67.063 -0.403 17827 235 1 . 1 1 51 51 VAL CB C 44 30.730 30.730 31.928 -1.198 17827 236 1 . 1 1 51 51 VAL H H 44 7.860 7.860 8.675 -0.815 17827 237 1 . 1 1 52 52 MET N N 45 115.913 115.913 117.508 -1.595 17827 238 1 . 1 1 52 52 MET HA H 45 3.410 3.410 4.226 -0.816 17827 239 1 . 1 1 52 52 MET C C 45 176.881 176.881 178.150 -1.269 17827 240 1 . 1 1 52 52 MET CA C 45 59.830 59.830 59.536 0.294 17827 241 1 . 1 1 52 52 MET CB C 45 32.310 32.310 31.866 0.444 17827 242 1 . 1 1 52 52 MET H H 45 7.940 7.940 7.812 0.128 17827 243 1 . 1 1 53 53 LEU N N 46 118.291 118.291 121.544 -3.253 17827 244 1 . 1 1 53 53 LEU HA H 46 3.940 3.940 4.023 -0.083 17827 245 1 . 1 1 53 53 LEU C C 46 179.178 179.178 179.243 -0.065 17827 246 1 . 1 1 53 53 LEU CA C 46 58.500 58.500 58.007 0.493 17827 247 1 . 1 1 53 53 LEU CB C 46 41.930 41.930 41.134 0.796 17827 248 1 . 1 1 53 53 LEU H H 46 7.550 7.550 7.709 -0.159 17827 249 1 . 1 1 54 54 LYS N N 47 118.142 118.142 119.210 -1.068 17827 250 1 . 1 1 54 54 LYS HA H 47 3.870 3.870 4.126 -0.256 17827 251 1 . 1 1 54 54 LYS C C 47 178.616 178.616 179.250 -0.634 17827 252 1 . 1 1 54 54 LYS CA C 47 57.980 57.980 59.204 -1.224 17827 253 1 . 1 1 54 54 LYS CB C 47 32.320 32.320 32.070 0.250 17827 254 1 . 1 1 54 54 LYS H H 47 7.665 7.665 8.610 -0.945 17827 255 1 . 1 1 55 55 LEU N N 48 119.385 119.385 120.397 -1.012 17827 256 1 . 1 1 55 55 LEU HA H 48 3.570 3.570 4.290 -0.720 17827 257 1 . 1 1 55 55 LEU C C 48 177.405 177.405 177.867 -0.462 17827 258 1 . 1 1 55 55 LEU CA C 48 57.790 57.790 57.794 -0.004 17827 259 1 . 1 1 55 55 LEU CB C 48 41.590 41.590 42.064 -0.474 17827 260 1 . 1 1 55 55 LEU H H 48 7.975 7.975 7.702 0.273 17827 261 1 . 1 1 56 56 VAL N N 49 116.141 116.141 119.896 -3.755 17827 262 1 . 1 1 56 56 VAL HA H 49 2.990 2.990 3.638 -0.648 17827 263 1 . 1 1 56 56 VAL C C 49 178.564 178.564 178.245 0.319 17827 264 1 . 1 1 56 56 VAL CA C 49 66.310 66.310 66.908 -0.598 17827 265 1 . 1 1 56 56 VAL CB C 49 31.300 31.300 31.550 -0.250 17827 266 1 . 1 1 56 56 VAL H H 49 7.615 7.615 8.956 -1.341 17827 267 1 . 1 1 57 57 GLU N N 50 118.631 118.631 117.962 0.669 17827 268 1 . 1 1 57 57 GLU HA H 50 3.965 3.965 4.083 -0.118 17827 269 1 . 1 1 57 57 GLU C C 50 178.030 178.030 178.258 -0.228 17827 270 1 . 1 1 57 57 GLU CA C 50 58.500 58.500 58.851 -0.351 17827 271 1 . 1 1 57 57 GLU CB C 50 29.610 29.610 29.589 0.021 17827 272 1 . 1 1 57 57 GLU H H 50 7.575 7.575 8.761 -1.186 17827 273 1 . 1 1 58 58 LYS N N 51 117.053 117.053 118.466 -1.413 17827 274 1 . 1 1 58 58 LYS HA H 51 4.130 4.130 4.070 0.060 17827 275 1 . 1 1 58 58 LYS C C 51 176.956 176.956 178.002 -1.046 17827 276 1 . 1 1 58 58 LYS CA C 51 56.660 56.660 58.481 -1.821 17827 277 1 . 1 1 58 58 LYS CB C 51 32.660 32.660 32.956 -0.296 17827 278 1 . 1 1 58 58 LYS H H 51 7.490 7.490 7.468 0.022 17827 279 1 . 1 1 59 59 LEU N N 52 119.460 119.460 118.642 0.818 17827 280 1 . 1 1 59 59 LEU HA H 52 4.122 4.122 4.198 -0.076 17827 281 1 . 1 1 59 59 LEU C C 52 176.645 176.645 176.454 0.191 17827 282 1 . 1 1 59 59 LEU CA C 52 56.660 56.660 55.554 1.106 17827 283 1 . 1 1 59 59 LEU CB C 52 42.700 42.700 42.357 0.343 17827 284 1 . 1 1 59 59 LEU H H 52 7.470 7.470 8.002 -0.532 17827 285 1 . 1 1 62 62 LYS C C 55 175.670 175.670 175.650 0.020 17827 286 1 . 1 1 63 63 LYS N N 56 122.430 122.430 121.391 1.039 17827 287 1 . 1 1 63 63 LYS HA H 56 4.030 4.030 4.332 -0.302 17827 288 1 . 1 1 63 63 LYS C C 56 172.850 172.850 175.750 -2.900 17827 289 1 . 1 1 63 63 LYS CA C 56 54.530 54.530 56.077 -1.547 17827 290 1 . 1 1 63 63 LYS CB C 56 34.440 34.440 33.515 0.925 17827 291 1 . 1 1 63 63 LYS H H 56 7.245 7.245 7.891 -0.646 17827 292 1 . 1 1 64 64 ASP N N 57 118.867 118.867 121.384 -2.517 17827 293 1 . 1 1 64 64 ASP HA H 57 4.530 4.530 4.244 0.286 17827 294 1 . 1 1 64 64 ASP C C 57 176.710 176.710 175.627 1.083 17827 295 1 . 1 1 64 64 ASP CA C 57 52.500 52.500 53.928 -1.428 17827 296 1 . 1 1 64 64 ASP CB C 57 40.320 40.320 41.521 -1.201 17827 297 1 . 1 1 64 64 ASP H H 57 7.867 7.867 8.281 -0.415 17827 298 1 . 1 1 65 65 TRP N N 58 128.827 128.827 121.487 7.340 17827 299 1 . 1 1 65 65 TRP HA H 58 4.540 4.540 4.629 -0.089 17827 300 1 . 1 1 65 65 TRP C C 58 178.390 178.390 177.358 1.032 17827 301 1 . 1 1 65 65 TRP CA C 58 52.860 52.860 58.471 -5.611 17827 302 1 . 1 1 65 65 TRP CB C 58 29.420 29.420 29.041 0.379 17827 303 1 . 1 1 65 65 TRP H H 58 8.790 8.790 7.861 0.929 17827 304 1 . 1 1 66 66 SER N N 59 117.724 117.724 114.820 2.904 17827 305 1 . 1 1 66 66 SER HA H 59 4.143 4.143 4.331 -0.188 17827 306 1 . 1 1 66 66 SER C C 59 174.471 174.471 174.995 -0.524 17827 307 1 . 1 1 66 66 SER CA C 59 62.350 62.350 60.045 2.305 17827 308 1 . 1 1 66 66 SER CB C 59 63.110 63.110 62.863 0.247 17827 309 1 . 1 1 66 66 SER H H 59 8.637 8.637 8.164 0.473 17827 310 1 . 1 1 67 67 ASP N N 60 121.042 121.042 120.164 0.878 17827 311 1 . 1 1 67 67 ASP C C 60 176.206 176.206 176.350 -0.144 17827 312 1 . 1 1 67 67 ASP CB C 60 42.560 42.560 41.082 1.478 17827 313 1 . 1 1 67 67 ASP H H 60 8.895 8.895 8.247 0.648 17827 314 1 . 1 1 68 68 HIS N N 61 121.519 121.519 117.009 4.510 17827 315 1 . 1 1 68 68 HIS HA H 61 4.490 4.490 4.442 0.048 17827 316 1 . 1 1 68 68 HIS C C 61 174.546 174.546 174.001 0.545 17827 317 1 . 1 1 68 68 HIS CA C 61 57.940 57.940 55.750 2.190 17827 318 1 . 1 1 68 68 HIS CB C 61 39.410 39.410 30.987 8.423 17827 319 1 . 1 1 68 68 HIS H H 61 7.958 7.958 7.438 0.520 17827 320 1 . 1 1 69 69 ALA N N 62 122.256 122.256 118.688 3.568 17827 321 1 . 1 1 69 69 ALA C C 62 175.294 175.294 174.788 0.506 17827 322 1 . 1 1 69 69 ALA CB C 62 22.470 22.470 22.585 -0.115 17827 323 1 . 1 1 69 69 ALA H H 62 8.575 8.575 8.635 -0.060 17827 324 1 . 1 1 70 70 LEU N N 63 118.904 118.904 120.282 -1.378 17827 325 1 . 1 1 70 70 LEU HA H 63 5.654 5.654 4.928 0.726 17827 326 1 . 1 1 70 70 LEU C C 63 174.445 174.445 176.490 -2.045 17827 327 1 . 1 1 70 70 LEU CA C 63 53.930 53.930 53.129 0.801 17827 328 1 . 1 1 70 70 LEU CB C 63 44.300 44.300 42.246 2.054 17827 329 1 . 1 1 70 70 LEU H H 63 9.150 9.150 8.735 0.415 17827 330 1 . 1 1 71 71 TRP N N 64 125.367 125.367 127.284 -1.917 17827 331 1 . 1 1 71 71 TRP C C 64 174.010 174.010 175.216 -1.206 17827 332 1 . 1 1 71 71 TRP CB C 64 32.210 32.210 30.494 1.717 17827 333 1 . 1 1 71 71 TRP H H 64 9.590 9.590 8.528 1.062 17827 334 1 . 1 1 72 72 TRP N N 65 129.982 129.982 129.198 0.784 17827 335 1 . 1 1 72 72 TRP HA H 65 4.980 4.980 4.760 0.220 17827 336 1 . 1 1 72 72 TRP C C 65 174.335 174.335 176.097 -1.762 17827 337 1 . 1 1 72 72 TRP CA C 65 51.440 51.440 54.464 -3.023 17827 338 1 . 1 1 72 72 TRP CB C 65 30.490 30.490 30.391 0.099 17827 339 1 . 1 1 72 72 TRP H H 65 8.277 8.277 8.645 -0.368 17827 340 1 . 1 1 73 73 GLU N N 66 129.112 129.112 126.816 2.296 17827 341 1 . 1 1 73 73 GLU HA H 66 3.300 3.300 3.710 -0.410 17827 342 1 . 1 1 73 73 GLU C C 66 178.595 178.595 177.229 1.366 17827 343 1 . 1 1 73 73 GLU CA C 66 59.920 59.920 58.915 1.005 17827 344 1 . 1 1 73 73 GLU CB C 66 29.060 29.060 28.938 0.122 17827 345 1 . 1 1 73 73 GLU H H 66 8.969 8.969 8.695 0.274 17827 346 1 . 1 1 74 74 LYS N N 67 117.492 117.492 119.021 -1.529 17827 347 1 . 1 1 74 74 LYS HA H 67 3.702 3.702 3.663 0.039 17827 348 1 . 1 1 74 74 LYS C C 67 176.361 176.361 177.137 -0.776 17827 349 1 . 1 1 74 74 LYS CA C 67 58.660 58.660 58.412 0.248 17827 350 1 . 1 1 74 74 LYS CB C 67 32.020 32.020 31.475 0.545 17827 351 1 . 1 1 74 74 LYS H H 67 7.860 7.860 7.751 0.109 17827 352 1 . 1 1 75 75 LYS N N 68 121.233 121.233 114.718 6.515 17827 353 1 . 1 1 75 75 LYS HA H 68 3.935 3.935 4.165 -0.230 17827 354 1 . 1 1 75 75 LYS C C 68 174.183 174.183 175.453 -1.270 17827 355 1 . 1 1 75 75 LYS CA C 68 53.400 53.400 55.133 -1.733 17827 356 1 . 1 1 75 75 LYS CB C 68 32.200 32.200 33.001 -0.801 17827 357 1 . 1 1 75 75 LYS H H 68 7.500 7.500 7.031 0.469 17827 358 1 . 1 1 76 76 ARG N N 69 121.125 121.125 116.911 4.214 17827 359 1 . 1 1 76 76 ARG HA H 69 2.890 2.890 3.577 -0.687 17827 360 1 . 1 1 76 76 ARG C C 69 173.984 173.984 174.811 -0.827 17827 361 1 . 1 1 76 76 ARG CA C 69 56.316 56.316 56.570 -0.253 17827 362 1 . 1 1 76 76 ARG CB C 69 27.090 27.090 26.696 0.394 17827 363 1 . 1 1 76 76 ARG H H 69 7.500 7.500 7.892 -0.392 17827 364 1 . 1 1 77 77 THR N N 70 110.478 110.478 112.616 -2.138 17827 365 1 . 1 1 77 77 THR HA H 70 4.650 4.650 3.912 0.738 17827 366 1 . 1 1 77 77 THR C C 70 171.846 171.846 172.491 -0.645 17827 367 1 . 1 1 77 77 THR CA C 70 61.630 61.630 59.883 1.747 17827 368 1 . 1 1 77 77 THR CB C 70 72.210 72.210 70.682 1.528 17827 369 1 . 1 1 77 77 THR H H 70 6.280 6.280 7.389 -1.109 17827 370 1 . 1 1 78 78 TRP N N 71 127.244 127.244 121.881 5.363 17827 371 1 . 1 1 78 78 TRP HA H 71 4.750 4.750 5.470 -0.720 17827 372 1 . 1 1 78 78 TRP C C 71 177.303 177.303 176.065 1.238 17827 373 1 . 1 1 78 78 TRP CA C 71 56.240 56.240 55.513 0.727 17827 374 1 . 1 1 78 78 TRP CB C 71 30.500 30.500 31.365 -0.865 17827 375 1 . 1 1 78 78 TRP H H 71 8.795 8.795 8.040 0.755 17827 376 1 . 1 1 79 79 LEU N N 72 125.202 125.202 122.444 2.758 17827 377 1 . 1 1 79 79 LEU HA H 72 4.500 4.500 4.770 -0.270 17827 378 1 . 1 1 79 79 LEU C C 72 175.667 175.667 176.566 -0.899 17827 379 1 . 1 1 79 79 LEU CA C 72 52.510 52.510 54.307 -1.797 17827 380 1 . 1 1 79 79 LEU CB C 72 38.240 38.240 41.408 -3.168 17827 381 1 . 1 1 79 79 LEU H H 72 9.175 9.175 8.281 0.894 17827 382 1 . 1 1 80 80 LEU N N 73 119.170 119.170 123.761 -4.591 17827 383 1 . 1 1 80 80 LEU HA H 73 4.380 4.380 4.527 -0.147 17827 384 1 . 1 1 80 80 LEU C C 73 178.139 178.139 176.829 1.310 17827 385 1 . 1 1 80 80 LEU CA C 73 54.700 54.700 55.295 -0.595 17827 386 1 . 1 1 80 80 LEU CB C 73 42.170 42.170 42.607 -0.437 17827 387 1 . 1 1 80 80 LEU H H 73 7.280 7.280 8.500 -1.220 17827 388 1 . 1 1 81 81 LYS N N 74 119.766 119.766 118.583 1.183 17827 389 1 . 1 1 81 81 LYS HA H 74 4.435 4.435 4.322 0.113 17827 390 1 . 1 1 81 81 LYS C C 74 176.601 176.601 176.968 -0.367 17827 391 1 . 1 1 81 81 LYS CA C 74 54.660 54.660 56.616 -1.956 17827 392 1 . 1 1 81 81 LYS CB C 74 28.540 28.540 33.231 -4.691 17827 393 1 . 1 1 81 81 LYS H H 74 7.865 7.865 7.800 0.065 17827 394 1 . 1 1 82 82 THR N N 75 115.636 115.636 114.674 0.961 17827 395 1 . 1 1 82 82 THR HA H 75 3.800 3.800 4.355 -0.555 17827 396 1 . 1 1 82 82 THR C C 75 174.806 174.806 175.585 -0.779 17827 397 1 . 1 1 82 82 THR CA C 75 64.650 64.650 64.251 0.399 17827 398 1 . 1 1 82 82 THR CB C 75 68.260 68.260 68.955 -0.695 17827 399 1 . 1 1 82 82 THR H H 75 7.910 7.910 8.637 -0.727 17827 400 1 . 1 1 83 83 HIS N N 76 116.767 116.767 119.146 -2.379 17827 401 1 . 1 1 83 83 HIS C C 76 176.370 176.370 175.052 1.318 17827 402 1 . 1 1 83 83 HIS CB C 76 30.210 30.210 29.656 0.554 17827 403 1 . 1 1 83 83 HIS H H 76 8.965 8.965 8.416 0.549 17827 404 1 . 1 1 84 84 TRP N N 77 123.905 123.905 119.410 4.495 17827 405 1 . 1 1 84 84 TRP C C 77 175.584 175.584 175.555 0.029 17827 406 1 . 1 1 84 84 TRP CB C 77 30.390 30.390 28.370 2.020 17827 407 1 . 1 1 84 84 TRP H H 77 7.635 7.635 7.742 -0.107 17827 408 1 . 1 1 85 85 THR N N 78 108.440 108.440 114.730 -6.290 17827 409 1 . 1 1 85 85 THR HA H 78 4.900 4.900 4.192 0.708 17827 410 1 . 1 1 85 85 THR C C 78 175.691 175.691 176.073 -0.382 17827 411 1 . 1 1 85 85 THR CA C 78 59.500 59.500 63.607 -4.107 17827 412 1 . 1 1 85 85 THR CB C 78 70.600 70.600 69.590 1.010 17827 413 1 . 1 1 85 85 THR H H 78 7.030 7.030 7.841 -0.811 17827 414 1 . 1 1 86 86 LEU N N 79 119.766 119.766 120.817 -1.051 17827 415 1 . 1 1 86 86 LEU HA H 79 4.040 4.040 4.118 -0.078 17827 416 1 . 1 1 86 86 LEU C C 79 179.734 179.734 179.052 0.682 17827 417 1 . 1 1 86 86 LEU CA C 79 58.750 58.750 58.973 -0.223 17827 418 1 . 1 1 86 86 LEU CB C 79 40.450 40.450 40.858 -0.408 17827 419 1 . 1 1 86 86 LEU H H 79 8.045 8.045 8.682 -0.637 17827 420 1 . 1 1 87 87 ASP N N 80 118.407 118.407 119.185 -0.778 17827 421 1 . 1 1 87 87 ASP HA H 80 4.440 4.440 4.396 0.044 17827 422 1 . 1 1 87 87 ASP C C 80 179.152 179.152 178.419 0.733 17827 423 1 . 1 1 87 87 ASP CA C 80 57.320 57.320 57.033 0.287 17827 424 1 . 1 1 87 87 ASP CB C 80 40.320 40.320 40.520 -0.200 17827 425 1 . 1 1 87 87 ASP H H 80 8.935 8.935 8.778 0.157 17827 426 1 . 1 1 88 88 LYS N N 81 123.300 123.300 119.381 3.919 17827 427 1 . 1 1 88 88 LYS HA H 81 3.700 3.700 3.867 -0.167 17827 428 1 . 1 1 88 88 LYS C C 81 178.721 178.721 178.292 0.429 17827 429 1 . 1 1 88 88 LYS CA C 81 59.020 59.020 58.928 0.092 17827 430 1 . 1 1 88 88 LYS CB C 81 31.640 31.640 31.898 -0.258 17827 431 1 . 1 1 88 88 LYS H H 81 8.055 8.055 8.030 0.025 17827 432 1 . 1 1 89 89 TYR N N 82 115.690 115.690 117.037 -1.347 17827 433 1 . 1 1 89 89 TYR HA H 82 4.580 4.580 4.516 0.064 17827 434 1 . 1 1 89 89 TYR C C 82 176.164 176.164 176.010 0.154 17827 435 1 . 1 1 89 89 TYR CA C 82 61.750 61.750 59.707 2.043 17827 436 1 . 1 1 89 89 TYR CB C 82 40.750 40.750 39.341 1.409 17827 437 1 . 1 1 89 89 TYR H H 82 7.730 7.730 7.741 -0.011 17827 438 1 . 1 1 90 90 GLY N N 83 108.212 108.212 106.631 1.581 17827 439 1 . 1 1 90 90 GLY C C 83 174.555 174.555 174.420 0.135 17827 440 1 . 1 1 90 90 GLY CA C 83 45.510 45.510 44.925 0.585 17827 441 1 . 1 1 90 90 GLY H H 83 8.030 8.030 7.817 0.213 17827 442 1 . 1 1 91 91 ILE N N 84 122.960 122.960 120.519 2.441 17827 443 1 . 1 1 91 91 ILE HA H 84 3.370 3.370 4.198 -0.828 17827 444 1 . 1 1 91 91 ILE C C 84 173.611 173.611 175.039 -1.428 17827 445 1 . 1 1 91 91 ILE CA C 84 61.700 61.700 61.267 0.433 17827 446 1 . 1 1 91 91 ILE CB C 84 37.610 37.610 39.250 -1.640 17827 447 1 . 1 1 91 91 ILE H H 84 7.850 7.850 7.967 -0.117 17827 448 1 . 1 1 92 92 GLN N N 85 125.429 125.429 124.071 1.358 17827 449 1 . 1 1 92 92 GLN HA H 85 3.880 3.880 3.846 0.034 17827 450 1 . 1 1 92 92 GLN C C 85 174.756 174.756 175.263 -0.507 17827 451 1 . 1 1 92 92 GLN CA C 85 53.720 53.720 54.774 -1.054 17827 452 1 . 1 1 92 92 GLN CB C 85 31.150 31.150 30.893 0.257 17827 453 1 . 1 1 92 92 GLN H H 85 7.700 7.700 8.162 -0.462 17827 454 1 . 1 1 93 93 ALA N N 86 118.217 118.217 120.958 -2.741 17827 455 1 . 1 1 93 93 ALA HA H 86 3.800 3.800 4.245 -0.445 17827 456 1 . 1 1 93 93 ALA C C 86 177.201 177.201 177.358 -0.157 17827 457 1 . 1 1 93 93 ALA CA C 86 54.080 54.080 53.278 0.802 17827 458 1 . 1 1 93 93 ALA CB C 86 18.410 18.410 18.670 -0.260 17827 459 1 . 1 1 93 93 ALA H H 86 6.886 6.886 8.054 -1.168 17827 460 1 . 1 1 94 94 ASP N N 87 113.647 113.647 117.200 -3.553 17827 461 1 . 1 1 94 94 ASP HA H 87 4.420 4.420 4.533 -0.113 17827 462 1 . 1 1 94 94 ASP C C 87 176.218 176.218 175.159 1.059 17827 463 1 . 1 1 94 94 ASP CA C 87 54.060 54.060 53.735 0.326 17827 464 1 . 1 1 94 94 ASP CB C 87 39.600 39.600 40.918 -1.318 17827 465 1 . 1 1 94 94 ASP H H 87 8.223 8.223 8.044 0.179 17827 466 1 . 1 1 95 95 ALA N N 88 124.145 124.145 122.790 1.355 17827 467 1 . 1 1 95 95 ALA HA H 88 4.306 4.306 4.542 -0.236 17827 468 1 . 1 1 95 95 ALA C C 88 176.630 176.630 176.328 0.302 17827 469 1 . 1 1 95 95 ALA CA C 88 53.320 53.320 51.581 1.739 17827 470 1 . 1 1 95 95 ALA CB C 88 20.020 20.020 19.557 0.463 17827 471 1 . 1 1 95 95 ALA H H 88 7.941 7.941 7.094 0.847 17827 472 1 . 1 1 96 96 LYS N N 89 120.897 120.897 126.263 -5.366 17827 473 1 . 1 1 96 96 LYS HA H 89 4.826 4.826 4.710 0.116 17827 474 1 . 1 1 96 96 LYS C C 89 176.161 176.161 176.093 0.068 17827 475 1 . 1 1 96 96 LYS CA C 89 54.736 54.736 55.102 -0.366 17827 476 1 . 1 1 96 96 LYS CB C 89 32.390 32.390 32.227 0.163 17827 477 1 . 1 1 96 96 LYS H H 89 8.500 8.500 8.552 -0.052 17827 478 1 . 1 1 97 97 LEU N N 90 122.960 122.960 124.376 -1.416 17827 479 1 . 1 1 97 97 LEU HA H 90 5.075 5.075 4.282 0.793 17827 480 1 . 1 1 97 97 LEU C C 90 176.394 176.394 176.770 -0.376 17827 481 1 . 1 1 97 97 LEU CA C 90 53.060 53.060 54.684 -1.624 17827 482 1 . 1 1 97 97 LEU CB C 90 44.850 44.850 42.985 1.865 17827 483 1 . 1 1 97 97 LEU H H 90 8.566 8.566 8.712 -0.146 17827 484 1 . 1 1 98 98 GLN N N 91 119.538 119.538 115.445 4.093 17827 485 1 . 1 1 98 98 GLN HA H 91 5.710 5.710 4.880 0.830 17827 486 1 . 1 1 98 98 GLN C C 91 174.144 174.144 174.583 -0.439 17827 487 1 . 1 1 98 98 GLN CA C 91 54.360 54.360 54.612 -0.253 17827 488 1 . 1 1 98 98 GLN CB C 91 32.290 32.290 32.874 -0.584 17827 489 1 . 1 1 98 98 GLN H H 91 9.060 9.060 7.976 1.084 17827 490 1 . 1 1 99 99 PHE N N 92 125.674 125.674 120.316 5.358 17827 491 1 . 1 1 99 99 PHE HA H 92 5.700 5.700 5.341 0.359 17827 492 1 . 1 1 99 99 PHE C C 92 174.537 174.537 174.034 0.503 17827 493 1 . 1 1 99 99 PHE CA C 92 54.190 54.190 56.427 -2.237 17827 494 1 . 1 1 99 99 PHE CB C 92 41.080 41.080 43.673 -2.593 17827 495 1 . 1 1 99 99 PHE H H 92 9.290 9.290 9.723 -0.433 17827 496 1 . 1 1 100 100 THR N N 93 124.543 124.543 118.240 6.303 17827 497 1 . 1 1 100 100 THR HA H 93 5.100 5.100 4.926 0.174 17827 498 1 . 1 1 100 100 THR C C 93 180.164 180.164 171.922 8.242 17827 499 1 . 1 1 100 100 THR CA C 93 58.830 58.830 59.277 -0.447 17827 500 1 . 1 1 100 100 THR CB C 93 73.610 73.610 71.054 2.556 17827 501 1 . 1 1 100 100 THR H H 93 8.945 8.945 8.854 0.091 17827 stop_ save_