data_19007 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19007 _Entry.PDB_ID 2M4I 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 19007 _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 6 6 THR HA H 6 4.321 4.321 4.476 -0.155 19007 2 1 1 . 1 1 6 6 THR C C 6 174.339 174.339 174.326 0.013 19007 3 1 1 . 1 1 6 6 THR CA C 6 62.139 62.139 61.428 0.711 19007 4 1 1 . 1 1 6 6 THR CB C 6 69.788 69.788 69.624 0.164 19007 5 1 1 . 1 1 7 7 LYS N N 7 124.350 124.350 119.503 4.847 19007 6 1 1 . 1 1 7 7 LYS HA H 7 4.265 4.265 4.287 -0.022 19007 7 1 1 . 1 1 7 7 LYS C C 7 176.341 176.341 176.179 0.162 19007 8 1 1 . 1 1 7 7 LYS CA C 7 56.980 56.980 56.254 0.726 19007 9 1 1 . 1 1 7 7 LYS CB C 7 33.110 33.110 33.056 0.054 19007 10 1 1 . 1 1 7 7 LYS H H 7 8.320 8.320 8.166 0.154 19007 11 1 1 . 1 1 8 8 LYS N N 8 123.170 123.170 120.202 2.968 19007 12 1 1 . 1 1 8 8 LYS HA H 8 4.253 4.253 4.559 -0.306 19007 13 1 1 . 1 1 8 8 LYS C C 8 176.083 176.083 175.424 0.659 19007 14 1 1 . 1 1 8 8 LYS CA C 8 56.450 56.450 55.442 1.008 19007 15 1 1 . 1 1 8 8 LYS CB C 8 33.480 33.480 35.173 -1.693 19007 16 1 1 . 1 1 8 8 LYS H H 8 8.340 8.340 8.469 -0.129 19007 17 1 1 . 1 1 9 9 GLN N N 9 123.010 123.010 118.589 4.421 19007 18 1 1 . 1 1 9 9 GLN HA H 9 4.289 4.289 4.456 -0.167 19007 19 1 1 . 1 1 9 9 GLN C C 9 174.914 174.914 175.511 -0.597 19007 20 1 1 . 1 1 9 9 GLN CA C 9 56.520 56.520 56.716 -0.196 19007 21 1 1 . 1 1 9 9 GLN CB C 9 30.790 30.790 29.793 0.997 19007 22 1 1 . 1 1 9 9 GLN H H 9 8.440 8.440 8.736 -0.296 19007 23 1 1 . 1 1 10 10 GLN N N 10 121.180 121.180 119.047 2.133 19007 24 1 1 . 1 1 10 10 GLN HA H 10 4.769 4.769 4.809 -0.040 19007 25 1 1 . 1 1 10 10 GLN C C 10 175.865 175.865 174.700 1.165 19007 26 1 1 . 1 1 10 10 GLN CA C 10 55.580 55.580 55.175 0.405 19007 27 1 1 . 1 1 10 10 GLN CB C 10 29.630 29.630 30.182 -0.552 19007 28 1 1 . 1 1 10 10 GLN H H 10 8.170 8.170 8.158 0.012 19007 29 1 1 . 1 1 11 11 TYR N N 11 120.110 120.110 123.766 -3.656 19007 30 1 1 . 1 1 11 11 TYR HA H 11 4.769 4.769 4.654 0.116 19007 31 1 1 . 1 1 11 11 TYR C C 11 174.319 174.319 173.274 1.045 19007 32 1 1 . 1 1 11 11 TYR CA C 11 58.490 58.490 57.667 0.823 19007 33 1 1 . 1 1 11 11 TYR CB C 11 39.350 39.350 42.785 -3.435 19007 34 1 1 . 1 1 11 11 TYR H H 11 8.470 8.470 8.361 0.109 19007 35 1 1 . 1 1 12 12 VAL N N 12 117.030 117.030 121.298 -4.268 19007 36 1 1 . 1 1 12 12 VAL HA H 12 4.793 4.793 5.038 -0.245 19007 37 1 1 . 1 1 12 12 VAL C C 12 174.636 174.636 174.386 0.250 19007 38 1 1 . 1 1 12 12 VAL CA C 12 60.730 60.730 60.458 0.272 19007 39 1 1 . 1 1 12 12 VAL CB C 12 34.790 34.790 35.121 -0.331 19007 40 1 1 . 1 1 12 12 VAL H H 12 7.590 7.590 8.346 -0.756 19007 41 1 1 . 1 1 13 13 THR N N 13 121.770 121.770 123.502 -1.732 19007 42 1 1 . 1 1 13 13 THR HA H 13 4.615 4.615 4.710 -0.095 19007 43 1 1 . 1 1 13 13 THR C C 13 173.030 173.030 172.221 0.809 19007 44 1 1 . 1 1 13 13 THR CA C 13 61.540 61.540 61.834 -0.294 19007 45 1 1 . 1 1 13 13 THR CB C 13 71.050 71.050 70.569 0.481 19007 46 1 1 . 1 1 13 13 THR H H 13 8.620 8.620 8.417 0.203 19007 47 1 1 . 1 1 14 14 ILE N N 14 126.190 126.190 127.098 -0.908 19007 48 1 1 . 1 1 14 14 ILE HA H 14 4.781 4.781 4.516 0.265 19007 49 1 1 . 1 1 14 14 ILE C C 14 175.112 175.112 174.343 0.769 19007 50 1 1 . 1 1 14 14 ILE CA C 14 61.120 61.120 60.598 0.522 19007 51 1 1 . 1 1 14 14 ILE CB C 14 40.340 40.340 40.551 -0.211 19007 52 1 1 . 1 1 14 14 ILE H H 14 8.890 8.890 8.618 0.272 19007 53 1 1 . 1 1 15 15 LYS N N 15 127.020 127.020 128.245 -1.225 19007 54 1 1 . 1 1 15 15 LYS HA H 15 4.734 4.734 4.625 0.109 19007 55 1 1 . 1 1 15 15 LYS C C 15 175.409 175.409 175.072 0.337 19007 56 1 1 . 1 1 15 15 LYS CA C 15 54.740 54.740 55.471 -0.731 19007 57 1 1 . 1 1 15 15 LYS CB C 15 35.430 35.430 33.940 1.490 19007 58 1 1 . 1 1 15 15 LYS H H 15 8.850 8.850 9.049 -0.199 19007 59 1 1 . 1 1 16 16 GLY N N 16 112.120 112.120 114.442 -2.322 19007 60 1 1 . 1 1 16 16 GLY C C 16 172.566 172.566 173.472 -0.906 19007 61 1 1 . 1 1 16 16 GLY CA C 16 45.560 45.560 45.359 0.201 19007 62 1 1 . 1 1 16 16 GLY H H 16 8.870 8.870 8.845 0.025 19007 63 1 1 . 1 1 17 17 THR N N 17 114.520 114.520 114.745 -0.225 19007 64 1 1 . 1 1 17 17 THR HA H 17 4.753 4.753 4.529 0.224 19007 65 1 1 . 1 1 17 17 THR CA C 17 60.360 60.360 62.333 -1.973 19007 66 1 1 . 1 1 17 17 THR CB C 17 72.040 72.040 70.016 2.024 19007 67 1 1 . 1 1 17 17 THR H H 17 8.380 8.380 8.046 0.334 19007 68 1 1 . 1 1 19 19 ASN HA H 19 4.778 4.778 5.197 -0.419 19007 69 1 1 . 1 1 19 19 ASN C C 19 174.616 174.616 176.160 -1.544 19007 70 1 1 . 1 1 19 19 ASN CA C 19 53.700 53.700 51.715 1.985 19007 71 1 1 . 1 1 19 19 ASN CB C 19 39.018 39.018 41.917 -2.899 19007 72 1 1 . 1 1 20 20 GLY N N 20 108.600 108.600 108.412 0.188 19007 73 1 1 . 1 1 20 20 GLY C C 20 172.297 172.297 173.811 -1.514 19007 74 1 1 . 1 1 20 20 GLY CA C 20 46.310 46.310 46.169 0.141 19007 75 1 1 . 1 1 20 20 GLY H H 20 7.590 7.590 8.598 -1.008 19007 76 1 1 . 1 1 21 21 LEU N N 21 123.210 123.210 121.652 1.558 19007 77 1 1 . 1 1 21 21 LEU HA H 21 5.015 5.015 4.993 0.022 19007 78 1 1 . 1 1 21 21 LEU C C 21 176.202 176.202 174.765 1.437 19007 79 1 1 . 1 1 21 21 LEU CA C 21 54.090 54.090 55.257 -1.167 19007 80 1 1 . 1 1 21 21 LEU CB C 21 45.940 45.940 44.311 1.629 19007 81 1 1 . 1 1 21 21 LEU H H 21 8.760 8.760 7.953 0.807 19007 82 1 1 . 1 1 22 22 THR N N 22 120.430 120.430 124.035 -3.605 19007 83 1 1 . 1 1 22 22 THR HA H 22 5.191 5.191 4.925 0.266 19007 84 1 1 . 1 1 22 22 THR C C 22 172.852 172.852 173.539 -0.687 19007 85 1 1 . 1 1 22 22 THR CA C 22 61.850 61.850 61.656 0.194 19007 86 1 1 . 1 1 22 22 THR CB C 22 69.800 69.800 68.912 0.888 19007 87 1 1 . 1 1 22 22 THR H H 22 9.150 9.150 9.084 0.066 19007 88 1 1 . 1 1 23 23 LEU N N 23 127.110 127.110 122.814 4.296 19007 89 1 1 . 1 1 23 23 LEU HA H 23 4.910 4.910 5.413 -0.503 19007 90 1 1 . 1 1 23 23 LEU C C 23 174.200 174.200 174.511 -0.311 19007 91 1 1 . 1 1 23 23 LEU CA C 23 52.770 52.770 53.227 -0.457 19007 92 1 1 . 1 1 23 23 LEU CB C 23 44.220 44.220 45.695 -1.475 19007 93 1 1 . 1 1 23 23 LEU H H 23 8.870 8.870 8.112 0.758 19007 94 1 1 . 1 1 24 24 HIS N N 24 124.600 124.600 122.511 2.089 19007 95 1 1 . 1 1 24 24 HIS HA H 24 4.875 4.875 5.570 -0.695 19007 96 1 1 . 1 1 24 24 HIS C C 24 174.033 174.033 173.126 0.907 19007 97 1 1 . 1 1 24 24 HIS CA C 24 56.000 56.000 54.308 1.692 19007 98 1 1 . 1 1 24 24 HIS CB C 24 30.400 30.400 33.339 -2.939 19007 99 1 1 . 1 1 24 24 HIS H H 24 9.160 9.160 8.995 0.165 19007 100 1 1 . 1 1 25 25 LEU N N 25 125.950 125.950 128.894 -2.944 19007 101 1 1 . 1 1 25 25 LEU HA H 25 4.382 4.382 4.569 -0.187 19007 102 1 1 . 1 1 25 25 LEU C C 25 175.806 175.806 174.086 1.720 19007 103 1 1 . 1 1 25 25 LEU CA C 25 53.250 53.250 53.417 -0.167 19007 104 1 1 . 1 1 25 25 LEU CB C 25 41.030 41.030 44.716 -3.686 19007 105 1 1 . 1 1 25 25 LEU H H 25 8.420 8.420 7.983 0.437 19007 106 1 1 . 1 1 26 26 ASP N N 26 126.170 126.170 126.992 -0.822 19007 107 1 1 . 1 1 26 26 ASP HA H 26 4.344 4.344 5.221 -0.877 19007 108 1 1 . 1 1 26 26 ASP C C 26 176.302 176.302 174.112 2.190 19007 109 1 1 . 1 1 26 26 ASP CA C 26 56.480 56.480 53.510 2.970 19007 110 1 1 . 1 1 26 26 ASP CB C 26 43.880 43.880 42.075 1.806 19007 111 1 1 . 1 1 26 26 ASP H H 26 8.630 8.630 8.338 0.292 19007 112 1 1 . 1 1 27 27 ASP N N 27 122.430 122.430 121.656 0.774 19007 113 1 1 . 1 1 27 27 ASP HA H 27 4.540 4.540 4.904 -0.364 19007 114 1 1 . 1 1 27 27 ASP C C 27 176.381 176.381 173.660 2.721 19007 115 1 1 . 1 1 27 27 ASP CA C 27 54.060 54.060 53.634 0.426 19007 116 1 1 . 1 1 27 27 ASP CB C 27 40.820 40.820 45.126 -4.306 19007 117 1 1 . 1 1 27 27 ASP H H 27 8.150 8.150 7.665 0.485 19007 118 1 1 . 1 1 28 28 ALA N N 28 123.520 123.520 124.920 -1.400 19007 119 1 1 . 1 1 28 28 ALA HA H 28 4.600 4.600 4.617 -0.017 19007 120 1 1 . 1 1 28 28 ALA C C 28 178.324 178.324 176.944 1.380 19007 121 1 1 . 1 1 28 28 ALA CA C 28 52.860 52.860 51.085 1.775 19007 122 1 1 . 1 1 28 28 ALA CB C 28 20.790 20.790 20.950 -0.160 19007 123 1 1 . 1 1 28 28 ALA H H 28 8.480 8.480 8.375 0.105 19007 124 1 1 . 1 1 29 29 CYS N N 29 115.580 115.580 115.810 -0.230 19007 125 1 1 . 1 1 29 29 CYS HA H 29 4.680 4.680 4.149 0.531 19007 126 1 1 . 1 1 29 29 CYS C C 29 174.696 174.696 173.709 0.987 19007 127 1 1 . 1 1 29 29 CYS CA C 29 56.060 56.060 59.938 -3.878 19007 128 1 1 . 1 1 29 29 CYS CB C 29 29.050 29.050 26.015 3.035 19007 129 1 1 . 1 1 29 29 CYS H H 29 7.510 7.510 8.847 -1.337 19007 130 1 1 . 1 1 30 30 SER N N 30 119.090 119.090 114.250 4.840 19007 131 1 1 . 1 1 30 30 SER HA H 30 4.500 4.500 4.478 0.022 19007 132 1 1 . 1 1 30 30 SER CA C 30 58.370 58.370 57.027 1.343 19007 133 1 1 . 1 1 30 30 SER CB C 30 64.170 64.170 65.310 -1.140 19007 134 1 1 . 1 1 30 30 SER H H 30 9.170 9.170 7.695 1.475 19007 135 1 1 . 1 1 31 31 PHE HA H 31 4.041 4.041 4.631 -0.590 19007 136 1 1 . 1 1 31 31 PHE C C 31 176.440 176.440 175.905 0.535 19007 137 1 1 . 1 1 31 31 PHE CA C 31 62.491 62.491 57.392 5.099 19007 138 1 1 . 1 1 31 31 PHE CB C 31 39.018 39.018 39.900 -0.882 19007 139 1 1 . 1 1 32 32 ASP N N 32 116.020 116.020 118.201 -2.181 19007 140 1 1 . 1 1 32 32 ASP HA H 32 4.139 4.139 4.736 -0.597 19007 141 1 1 . 1 1 32 32 ASP C C 32 178.978 178.978 176.608 2.370 19007 142 1 1 . 1 1 32 32 ASP CA C 32 57.670 57.670 53.188 4.482 19007 143 1 1 . 1 1 32 32 ASP CB C 32 40.290 40.290 40.251 0.039 19007 144 1 1 . 1 1 32 32 ASP H H 32 8.370 8.370 8.698 -0.328 19007 145 1 1 . 1 1 33 33 GLU N N 33 120.170 120.170 119.945 0.225 19007 146 1 1 . 1 1 33 33 GLU HA H 33 4.149 4.149 4.357 -0.208 19007 147 1 1 . 1 1 33 33 GLU C C 33 179.256 179.256 177.256 2.000 19007 148 1 1 . 1 1 33 33 GLU CA C 33 58.810 58.810 58.813 -0.003 19007 149 1 1 . 1 1 33 33 GLU CB C 33 29.510 29.510 29.463 0.047 19007 150 1 1 . 1 1 33 33 GLU H H 33 7.560 7.560 8.732 -1.172 19007 151 1 1 . 1 1 34 34 LEU N N 34 121.930 121.930 117.522 4.408 19007 152 1 1 . 1 1 34 34 LEU HA H 34 3.755 3.755 4.392 -0.637 19007 153 1 1 . 1 1 34 34 LEU C C 34 178.205 178.205 177.745 0.460 19007 154 1 1 . 1 1 34 34 LEU CA C 34 57.910 57.910 55.165 2.745 19007 155 1 1 . 1 1 34 34 LEU CB C 34 41.980 41.980 40.588 1.392 19007 156 1 1 . 1 1 34 34 LEU H H 34 7.730 7.730 8.209 -0.479 19007 157 1 1 . 1 1 35 35 LEU N N 35 118.190 118.190 121.139 -2.949 19007 158 1 1 . 1 1 35 35 LEU HA H 35 3.575 3.575 4.434 -0.859 19007 159 1 1 . 1 1 35 35 LEU C C 35 179.295 179.295 177.882 1.413 19007 160 1 1 . 1 1 35 35 LEU CA C 35 57.990 57.990 57.354 0.636 19007 161 1 1 . 1 1 35 35 LEU CB C 35 40.900 40.900 43.854 -2.954 19007 162 1 1 . 1 1 35 35 LEU H H 35 7.880 7.880 7.990 -0.110 19007 163 1 1 . 1 1 36 36 ASP N N 36 118.760 118.760 119.532 -0.772 19007 164 1 1 . 1 1 36 36 ASP HA H 36 4.308 4.308 4.374 -0.066 19007 165 1 1 . 1 1 36 36 ASP C C 36 178.819 178.819 178.246 0.573 19007 166 1 1 . 1 1 36 36 ASP CA C 36 57.570 57.570 57.548 0.021 19007 167 1 1 . 1 1 36 36 ASP CB C 36 41.500 41.500 40.421 1.079 19007 168 1 1 . 1 1 36 36 ASP H H 36 7.580 7.580 8.811 -1.231 19007 169 1 1 . 1 1 37 37 GLY N N 37 107.520 107.520 108.757 -1.237 19007 170 1 1 . 1 1 37 37 GLY C C 37 176.678 176.678 176.315 0.363 19007 171 1 1 . 1 1 37 37 GLY CA C 37 47.340 47.340 47.344 -0.004 19007 172 1 1 . 1 1 37 37 GLY H H 37 8.210 8.210 7.768 0.442 19007 173 1 1 . 1 1 38 38 LEU N N 38 123.680 123.680 122.591 1.089 19007 174 1 1 . 1 1 38 38 LEU HA H 38 4.007 4.007 4.038 -0.031 19007 175 1 1 . 1 1 38 38 LEU C C 38 177.769 177.769 178.374 -0.605 19007 176 1 1 . 1 1 38 38 LEU CA C 38 57.970 57.970 57.993 -0.023 19007 177 1 1 . 1 1 38 38 LEU CB C 38 42.250 42.250 41.661 0.589 19007 178 1 1 . 1 1 38 38 LEU H H 38 8.800 8.800 7.771 1.029 19007 179 1 1 . 1 1 39 39 GLN N N 39 118.840 118.840 119.744 -0.904 19007 180 1 1 . 1 1 39 39 GLN HA H 39 3.887 3.887 3.811 0.076 19007 181 1 1 . 1 1 39 39 GLN C C 39 178.443 178.443 178.011 0.432 19007 182 1 1 . 1 1 39 39 GLN CA C 39 59.450 59.450 59.714 -0.264 19007 183 1 1 . 1 1 39 39 GLN CB C 39 28.400 28.400 28.311 0.088 19007 184 1 1 . 1 1 39 39 GLN H H 39 8.460 8.460 8.433 0.027 19007 185 1 1 . 1 1 40 40 ASN N N 40 116.110 116.110 118.670 -2.560 19007 186 1 1 . 1 1 40 40 ASN HA H 40 4.488 4.488 4.521 -0.033 19007 187 1 1 . 1 1 40 40 ASN C C 40 177.491 177.491 177.738 -0.247 19007 188 1 1 . 1 1 40 40 ASN CA C 40 56.330 56.330 56.117 0.213 19007 189 1 1 . 1 1 40 40 ASN CB C 40 39.230 39.230 38.735 0.495 19007 190 1 1 . 1 1 40 40 ASN H H 40 7.810 7.810 7.893 -0.083 19007 191 1 1 . 1 1 41 41 MET N N 41 119.840 119.840 121.178 -1.338 19007 192 1 1 . 1 1 41 41 MET HA H 41 4.344 4.344 4.087 0.257 19007 193 1 1 . 1 1 41 41 MET C C 41 177.551 177.551 178.149 -0.598 19007 194 1 1 . 1 1 41 41 MET CA C 41 58.140 58.140 59.582 -1.442 19007 195 1 1 . 1 1 41 41 MET CB C 41 32.600 32.600 32.691 -0.091 19007 196 1 1 . 1 1 41 41 MET H H 41 8.060 8.060 8.146 -0.086 19007 197 1 1 . 1 1 42 42 LEU N N 42 116.680 116.680 118.289 -1.609 19007 198 1 1 . 1 1 42 42 LEU HA H 42 4.236 4.236 3.973 0.263 19007 199 1 1 . 1 1 42 42 LEU C C 42 177.055 177.055 179.119 -2.064 19007 200 1 1 . 1 1 42 42 LEU CA C 42 55.850 55.850 57.894 -2.044 19007 201 1 1 . 1 1 42 42 LEU CB C 42 41.490 41.490 41.524 -0.034 19007 202 1 1 . 1 1 42 42 LEU H H 42 8.280 8.280 8.700 -0.420 19007 203 1 1 . 1 1 43 43 SER N N 43 113.420 113.420 114.548 -1.128 19007 204 1 1 . 1 1 43 43 SER HA H 43 4.452 4.452 4.185 0.267 19007 205 1 1 . 1 1 43 43 SER C C 43 174.755 174.755 176.046 -1.291 19007 206 1 1 . 1 1 43 43 SER CA C 43 59.340 59.340 62.114 -2.775 19007 207 1 1 . 1 1 43 43 SER CB C 43 63.580 63.580 63.140 0.440 19007 208 1 1 . 1 1 43 43 SER H H 43 7.650 7.650 7.665 -0.015 19007 209 1 1 . 1 1 44 44 ILE N N 44 120.390 120.390 119.249 1.141 19007 210 1 1 . 1 1 44 44 ILE HA H 44 4.188 4.188 3.899 0.289 19007 211 1 1 . 1 1 44 44 ILE C C 44 176.440 176.440 177.195 -0.755 19007 212 1 1 . 1 1 44 44 ILE CA C 44 61.500 61.500 63.582 -2.082 19007 213 1 1 . 1 1 44 44 ILE CB C 44 38.640 38.640 38.350 0.290 19007 214 1 1 . 1 1 44 44 ILE H H 44 7.590 7.590 7.840 -0.250 19007 215 1 1 . 1 1 45 45 GLU N N 45 118.850 118.850 119.385 -0.535 19007 216 1 1 . 1 1 45 45 GLU HA H 45 4.272 4.272 4.194 0.078 19007 217 1 1 . 1 1 45 45 GLU C C 45 176.698 176.698 176.772 -0.074 19007 218 1 1 . 1 1 45 45 GLU CA C 45 61.950 61.950 58.516 3.434 19007 219 1 1 . 1 1 45 45 GLU CB C 45 29.840 29.840 30.985 -1.145 19007 220 1 1 . 1 1 45 45 GLU H H 45 8.200 8.200 7.833 0.367 19007 221 1 1 . 1 1 46 46 GLN N N 46 118.260 118.260 117.446 0.814 19007 222 1 1 . 1 1 46 46 GLN HA H 46 4.212 4.212 4.403 -0.191 19007 223 1 1 . 1 1 46 46 GLN C C 46 176.361 176.361 173.714 2.647 19007 224 1 1 . 1 1 46 46 GLN CA C 46 56.770 56.770 56.094 0.676 19007 225 1 1 . 1 1 46 46 GLN CB C 46 28.920 28.920 30.693 -1.773 19007 226 1 1 . 1 1 46 46 GLN H H 46 8.270 8.270 8.229 0.041 19007 227 1 1 . 1 1 47 47 TYR N N 47 117.690 117.690 119.641 -1.951 19007 228 1 1 . 1 1 47 47 TYR HA H 47 4.701 4.701 5.063 -0.362 19007 229 1 1 . 1 1 47 47 TYR C C 47 175.588 175.588 174.958 0.630 19007 230 1 1 . 1 1 47 47 TYR CA C 47 58.290 58.290 55.761 2.529 19007 231 1 1 . 1 1 47 47 TYR CB C 47 39.250 39.250 38.461 0.789 19007 232 1 1 . 1 1 47 47 TYR H H 47 7.980 7.980 8.165 -0.185 19007 233 1 1 . 1 1 48 48 THR N N 48 108.930 108.930 117.634 -8.704 19007 234 1 1 . 1 1 48 48 THR HA H 48 4.464 4.464 4.010 0.454 19007 235 1 1 . 1 1 48 48 THR C C 48 176.381 176.381 174.180 2.201 19007 236 1 1 . 1 1 48 48 THR CA C 48 61.150 61.150 62.622 -1.472 19007 237 1 1 . 1 1 48 48 THR CB C 48 70.190 70.190 68.234 1.956 19007 238 1 1 . 1 1 48 48 THR H H 48 7.570 7.570 7.353 0.217 19007 239 1 1 . 1 1 49 49 ASP N N 49 121.350 121.350 124.796 -3.446 19007 240 1 1 . 1 1 49 49 ASP HA H 49 4.752 4.752 4.765 -0.013 19007 241 1 1 . 1 1 49 49 ASP C C 49 177.015 177.015 177.571 -0.556 19007 242 1 1 . 1 1 49 49 ASP CA C 49 53.710 53.710 56.222 -2.512 19007 243 1 1 . 1 1 49 49 ASP CB C 49 41.200 41.200 41.953 -0.753 19007 244 1 1 . 1 1 49 49 ASP H H 49 8.100 8.100 8.063 0.037 19007 245 1 1 . 1 1 50 50 GLY N N 50 112.360 112.360 105.939 6.421 19007 246 1 1 . 1 1 50 50 GLY C C 50 175.449 175.449 175.279 0.170 19007 247 1 1 . 1 1 50 50 GLY CA C 50 46.000 46.000 45.962 0.038 19007 248 1 1 . 1 1 50 50 GLY H H 50 9.080 9.080 7.793 1.287 19007 249 1 1 . 1 1 51 51 LYS N N 51 119.510 119.510 121.355 -1.845 19007 250 1 1 . 1 1 51 51 LYS HA H 51 4.200 4.200 4.567 -0.367 19007 251 1 1 . 1 1 51 51 LYS C C 51 177.214 177.214 176.664 0.550 19007 252 1 1 . 1 1 51 51 LYS CA C 51 56.540 56.540 56.485 0.055 19007 253 1 1 . 1 1 51 51 LYS CB C 51 31.420 31.420 34.764 -3.345 19007 254 1 1 . 1 1 51 51 LYS H H 51 8.590 8.590 8.876 -0.286 19007 255 1 1 . 1 1 52 52 GLY N N 52 108.180 108.180 109.908 -1.728 19007 256 1 1 . 1 1 52 52 GLY C C 52 174.279 174.279 172.676 1.603 19007 257 1 1 . 1 1 52 52 GLY CA C 52 45.450 45.450 45.511 -0.061 19007 258 1 1 . 1 1 52 52 GLY H H 52 8.670 8.670 8.560 0.110 19007 259 1 1 . 1 1 53 53 GLN N N 53 120.010 120.010 121.645 -1.635 19007 260 1 1 . 1 1 53 53 GLN HA H 53 4.440 4.440 4.197 0.243 19007 261 1 1 . 1 1 53 53 GLN C C 53 175.001 175.001 175.467 -0.466 19007 262 1 1 . 1 1 53 53 GLN CA C 53 54.580 54.580 55.453 -0.873 19007 263 1 1 . 1 1 53 53 GLN CB C 53 30.330 30.330 29.393 0.937 19007 264 1 1 . 1 1 53 53 GLN H H 53 7.860 7.860 8.419 -0.559 19007 265 1 1 . 1 1 54 54 LYS N N 54 120.420 120.420 127.426 -7.006 19007 266 1 1 . 1 1 54 54 LYS HA H 54 4.704 4.704 4.593 0.111 19007 267 1 1 . 1 1 54 54 LYS C C 54 176.753 176.753 175.486 1.267 19007 268 1 1 . 1 1 54 54 LYS CA C 54 55.830 55.830 55.818 0.012 19007 269 1 1 . 1 1 54 54 LYS CB C 54 33.850 33.850 32.428 1.422 19007 270 1 1 . 1 1 54 54 LYS H H 54 8.250 8.250 8.597 -0.347 19007 271 1 1 . 1 1 55 55 ILE N N 55 125.360 125.360 129.126 -3.766 19007 272 1 1 . 1 1 55 55 ILE HA H 55 4.169 4.169 4.615 -0.446 19007 273 1 1 . 1 1 55 55 ILE C C 55 174.405 174.405 174.952 -0.547 19007 274 1 1 . 1 1 55 55 ILE CA C 55 60.350 60.350 60.044 0.306 19007 275 1 1 . 1 1 55 55 ILE CB C 55 39.690 39.690 37.264 2.426 19007 276 1 1 . 1 1 55 55 ILE H H 55 9.050 9.050 8.668 0.382 19007 277 1 1 . 1 1 56 56 SER N N 56 121.850 121.850 122.321 -0.471 19007 278 1 1 . 1 1 56 56 SER HA H 56 4.480 4.480 4.972 -0.492 19007 279 1 1 . 1 1 56 56 SER C C 56 174.105 174.105 173.498 0.607 19007 280 1 1 . 1 1 56 56 SER CA C 56 57.410 57.410 56.474 0.936 19007 281 1 1 . 1 1 56 56 SER CB C 56 64.080 64.080 63.365 0.715 19007 282 1 1 . 1 1 56 56 SER H H 56 8.330 8.330 7.927 0.403 19007 283 1 1 . 1 1 57 57 VAL N N 57 123.190 123.190 127.204 -4.014 19007 284 1 1 . 1 1 57 57 VAL HA H 57 4.861 4.861 4.072 0.789 19007 285 1 1 . 1 1 57 57 VAL C C 57 174.869 174.869 174.888 -0.019 19007 286 1 1 . 1 1 57 57 VAL CA C 57 61.130 61.130 61.412 -0.282 19007 287 1 1 . 1 1 57 57 VAL CB C 57 33.600 33.600 30.223 3.377 19007 288 1 1 . 1 1 57 57 VAL H H 57 8.680 8.680 8.165 0.515 19007 289 1 1 . 1 1 58 58 HIS N N 58 129.590 129.590 127.717 1.873 19007 290 1 1 . 1 1 58 58 HIS HA H 58 5.076 5.076 5.104 -0.028 19007 291 1 1 . 1 1 58 58 HIS C C 58 174.351 174.351 174.981 -0.630 19007 292 1 1 . 1 1 58 58 HIS CA C 58 54.420 54.420 53.900 0.520 19007 293 1 1 . 1 1 58 58 HIS CB C 58 31.720 31.720 30.128 1.593 19007 294 1 1 . 1 1 58 58 HIS H H 58 9.050 9.050 8.442 0.608 19007 295 1 1 . 1 1 59 59 VAL N N 59 125.260 125.260 122.768 2.492 19007 296 1 1 . 1 1 59 59 VAL HA H 59 4.408 4.408 4.379 0.029 19007 297 1 1 . 1 1 59 59 VAL C C 59 174.460 174.460 175.657 -1.197 19007 298 1 1 . 1 1 59 59 VAL CA C 59 62.370 62.370 60.745 1.625 19007 299 1 1 . 1 1 59 59 VAL CB C 59 32.760 32.760 29.846 2.914 19007 300 1 1 . 1 1 59 59 VAL H H 59 8.800 8.800 8.231 0.569 19007 301 1 1 . 1 1 60 60 LYS N N 60 128.520 128.520 128.546 -0.026 19007 302 1 1 . 1 1 60 60 LYS HA H 60 4.909 4.909 4.462 0.447 19007 303 1 1 . 1 1 60 60 LYS C C 60 175.825 175.825 176.349 -0.524 19007 304 1 1 . 1 1 60 60 LYS CA C 60 54.450 54.450 55.052 -0.602 19007 305 1 1 . 1 1 60 60 LYS CB C 60 32.490 32.490 29.994 2.496 19007 306 1 1 . 1 1 60 60 LYS H H 60 9.040 9.040 8.160 0.880 19007 307 1 1 . 1 1 61 61 LEU N N 61 121.430 121.430 120.647 0.783 19007 308 1 1 . 1 1 61 61 LEU HA H 61 4.527 4.527 4.482 0.045 19007 309 1 1 . 1 1 61 61 LEU C C 61 178.910 178.910 178.241 0.669 19007 310 1 1 . 1 1 61 61 LEU CA C 61 54.410 54.410 56.621 -2.211 19007 311 1 1 . 1 1 61 61 LEU CB C 61 44.330 44.330 42.915 1.415 19007 312 1 1 . 1 1 61 61 LEU H H 61 8.700 8.700 8.055 0.645 19007 313 1 1 . 1 1 62 62 GLY N N 62 110.520 110.520 103.153 7.367 19007 314 1 1 . 1 1 62 62 GLY C C 62 175.350 175.350 174.379 0.971 19007 315 1 1 . 1 1 62 62 GLY CA C 62 46.710 46.710 44.909 1.801 19007 316 1 1 . 1 1 62 62 GLY H H 62 9.060 9.060 8.130 0.930 19007 317 1 1 . 1 1 63 63 ASN N N 63 127.090 127.090 121.347 5.743 19007 318 1 1 . 1 1 63 63 ASN HA H 63 4.778 4.778 4.700 0.078 19007 319 1 1 . 1 1 63 63 ASN C C 63 174.214 174.214 175.607 -1.393 19007 320 1 1 . 1 1 63 63 ASN CA C 63 52.910 52.910 52.902 0.008 19007 321 1 1 . 1 1 63 63 ASN CB C 63 38.100 38.100 37.605 0.495 19007 322 1 1 . 1 1 63 63 ASN H H 63 10.390 10.390 8.628 1.762 19007 323 1 1 . 1 1 64 64 ARG N N 64 121.850 121.850 120.455 1.395 19007 324 1 1 . 1 1 64 64 ARG HA H 64 4.265 4.265 4.185 0.080 19007 325 1 1 . 1 1 64 64 ARG C C 64 174.214 174.214 176.581 -2.367 19007 326 1 1 . 1 1 64 64 ARG CA C 64 56.330 56.330 57.029 -0.699 19007 327 1 1 . 1 1 64 64 ARG CB C 64 33.860 33.860 30.333 3.527 19007 328 1 1 . 1 1 64 64 ARG H H 64 7.520 7.520 7.791 -0.271 19007 329 1 1 . 1 1 65 65 PHE N N 65 127.760 127.760 118.783 8.977 19007 330 1 1 . 1 1 65 65 PHE HA H 65 4.503 4.503 4.156 0.347 19007 331 1 1 . 1 1 65 65 PHE C C 65 176.508 176.508 174.286 2.222 19007 332 1 1 . 1 1 65 65 PHE CA C 65 56.760 56.760 58.461 -1.701 19007 333 1 1 . 1 1 65 65 PHE CB C 65 40.430 40.430 37.693 2.737 19007 334 1 1 . 1 1 65 65 PHE H H 65 8.580 8.580 7.772 0.808 19007 335 1 1 . 1 1 66 66 LEU N N 66 125.260 125.260 123.858 1.402 19007 336 1 1 . 1 1 66 66 LEU HA H 66 4.288 4.288 4.573 -0.285 19007 337 1 1 . 1 1 66 66 LEU C C 66 176.508 176.508 176.763 -0.255 19007 338 1 1 . 1 1 66 66 LEU CA C 66 53.080 53.080 54.085 -1.005 19007 339 1 1 . 1 1 66 66 LEU CB C 66 43.170 43.170 43.660 -0.490 19007 340 1 1 . 1 1 66 66 LEU H H 66 8.040 8.040 8.104 -0.064 19007 341 1 1 . 1 1 67 67 TYR N N 67 120.480 120.480 124.094 -3.614 19007 342 1 1 . 1 1 67 67 TYR HA H 67 4.515 4.515 4.379 0.136 19007 343 1 1 . 1 1 67 67 TYR C C 67 177.791 177.791 176.695 1.096 19007 344 1 1 . 1 1 67 67 TYR CA C 67 58.120 58.120 57.594 0.526 19007 345 1 1 . 1 1 67 67 TYR CB C 67 39.320 39.320 36.762 2.558 19007 346 1 1 . 1 1 67 67 TYR H H 67 7.880 7.880 8.716 -0.836 19007 347 1 1 . 1 1 68 68 LYS N N 68 125.020 125.020 124.738 0.282 19007 348 1 1 . 1 1 68 68 LYS HA H 68 4.034 4.034 3.858 0.176 19007 349 1 1 . 1 1 68 68 LYS C C 68 178.364 178.364 177.636 0.728 19007 350 1 1 . 1 1 68 68 LYS CA C 68 60.130 60.130 59.811 0.319 19007 351 1 1 . 1 1 68 68 LYS CB C 68 32.150 32.150 32.349 -0.199 19007 352 1 1 . 1 1 68 68 LYS H H 68 9.120 9.120 7.870 1.250 19007 353 1 1 . 1 1 69 69 GLU N N 69 116.430 116.430 116.782 -0.352 19007 354 1 1 . 1 1 69 69 GLU HA H 69 4.133 4.133 4.055 0.078 19007 355 1 1 . 1 1 69 69 GLU C C 69 179.538 179.538 179.119 0.419 19007 356 1 1 . 1 1 69 69 GLU CA C 69 60.030 60.030 59.385 0.645 19007 357 1 1 . 1 1 69 69 GLU CB C 69 28.560 28.560 28.948 -0.388 19007 358 1 1 . 1 1 69 69 GLU H H 69 9.460 9.460 8.638 0.822 19007 359 1 1 . 1 1 70 70 GLN N N 70 117.670 117.670 117.768 -0.098 19007 360 1 1 . 1 1 70 70 GLN HA H 70 4.120 4.120 4.185 -0.065 19007 361 1 1 . 1 1 70 70 GLN C C 70 177.955 177.955 178.478 -0.523 19007 362 1 1 . 1 1 70 70 GLN CA C 70 57.950 57.950 58.698 -0.748 19007 363 1 1 . 1 1 70 70 GLN CB C 70 29.290 29.290 28.628 0.662 19007 364 1 1 . 1 1 70 70 GLN H H 70 7.000 7.000 7.978 -0.978 19007 365 1 1 . 1 1 71 71 GLU N N 71 120.850 120.850 118.308 2.542 19007 366 1 1 . 1 1 71 71 GLU HA H 71 3.668 3.668 4.230 -0.562 19007 367 1 1 . 1 1 71 71 GLU C C 71 179.429 179.429 178.817 0.612 19007 368 1 1 . 1 1 71 71 GLU CA C 71 60.620 60.620 58.276 2.345 19007 369 1 1 . 1 1 71 71 GLU CB C 71 29.660 29.660 28.945 0.715 19007 370 1 1 . 1 1 71 71 GLU H H 71 8.080 8.080 7.578 0.502 19007 371 1 1 . 1 1 72 72 GLU N N 72 119.670 119.670 121.543 -1.873 19007 372 1 1 . 1 1 72 72 GLU HA H 72 4.038 4.038 3.927 0.111 19007 373 1 1 . 1 1 72 72 GLU C C 72 178.446 178.446 178.393 0.053 19007 374 1 1 . 1 1 72 72 GLU CA C 72 59.690 59.690 59.821 -0.131 19007 375 1 1 . 1 1 72 72 GLU CB C 72 29.350 29.350 29.527 -0.177 19007 376 1 1 . 1 1 72 72 GLU H H 72 8.390 8.390 8.815 -0.425 19007 377 1 1 . 1 1 73 73 GLN N N 73 119.030 119.030 117.362 1.668 19007 378 1 1 . 1 1 73 73 GLN HA H 73 4.110 4.110 4.059 0.051 19007 379 1 1 . 1 1 73 73 GLN C C 73 179.320 179.320 178.280 1.040 19007 380 1 1 . 1 1 73 73 GLN CA C 73 59.470 59.470 58.748 0.722 19007 381 1 1 . 1 1 73 73 GLN CB C 73 29.480 29.480 28.265 1.215 19007 382 1 1 . 1 1 73 73 GLN H H 73 7.730 7.730 7.971 -0.241 19007 383 1 1 . 1 1 74 74 LEU N N 74 119.760 119.760 114.296 5.464 19007 384 1 1 . 1 1 74 74 LEU HA H 74 3.918 3.918 4.430 -0.512 19007 385 1 1 . 1 1 74 74 LEU C C 74 177.818 177.818 178.723 -0.905 19007 386 1 1 . 1 1 74 74 LEU CA C 74 58.720 58.720 56.985 1.735 19007 387 1 1 . 1 1 74 74 LEU CB C 74 42.890 42.890 41.533 1.357 19007 388 1 1 . 1 1 74 74 LEU H H 74 8.290 8.290 7.319 0.971 19007 389 1 1 . 1 1 75 75 THR N N 75 113.520 113.520 117.406 -3.886 19007 390 1 1 . 1 1 75 75 THR HA H 75 3.680 3.680 3.963 -0.283 19007 391 1 1 . 1 1 75 75 THR C C 75 176.480 176.480 176.389 0.091 19007 392 1 1 . 1 1 75 75 THR CA C 75 66.990 66.990 67.249 -0.259 19007 393 1 1 . 1 1 75 75 THR CB C 75 68.640 68.640 68.279 0.360 19007 394 1 1 . 1 1 75 75 THR H H 75 8.450 8.450 8.124 0.326 19007 395 1 1 . 1 1 76 76 GLU N N 76 121.340 121.340 120.967 0.373 19007 396 1 1 . 1 1 76 76 GLU HA H 76 4.014 4.014 4.005 0.009 19007 397 1 1 . 1 1 76 76 GLU C C 76 178.965 178.965 178.707 0.258 19007 398 1 1 . 1 1 76 76 GLU CA C 76 59.190 59.190 59.498 -0.308 19007 399 1 1 . 1 1 76 76 GLU CB C 76 29.590 29.590 29.166 0.424 19007 400 1 1 . 1 1 76 76 GLU H H 76 8.330 8.330 8.127 0.203 19007 401 1 1 . 1 1 77 77 LEU N N 77 120.170 120.170 118.583 1.587 19007 402 1 1 . 1 1 77 77 LEU HA H 77 3.955 3.955 4.155 -0.200 19007 403 1 1 . 1 1 77 77 LEU C C 77 180.057 180.057 178.882 1.175 19007 404 1 1 . 1 1 77 77 LEU CA C 77 58.510 58.510 57.670 0.840 19007 405 1 1 . 1 1 77 77 LEU CB C 77 42.716 42.716 42.026 0.690 19007 406 1 1 . 1 1 77 77 LEU H H 77 7.560 7.560 7.411 0.149 19007 407 1 1 . 1 1 78 78 ILE N N 78 119.930 119.930 118.056 1.874 19007 408 1 1 . 1 1 78 78 ILE HA H 78 3.429 3.429 3.778 -0.349 19007 409 1 1 . 1 1 78 78 ILE C C 78 176.043 176.043 177.638 -1.595 19007 410 1 1 . 1 1 78 78 ILE CA C 78 65.740 65.740 63.481 2.259 19007 411 1 1 . 1 1 78 78 ILE CB C 78 37.960 37.960 38.060 -0.100 19007 412 1 1 . 1 1 78 78 ILE H H 78 7.740 7.740 7.542 0.198 19007 413 1 1 . 1 1 79 79 ALA N N 79 116.940 116.940 123.574 -6.634 19007 414 1 1 . 1 1 79 79 ALA HA H 79 4.229 4.229 4.055 0.174 19007 415 1 1 . 1 1 79 79 ALA C C 79 178.719 178.719 179.736 -1.017 19007 416 1 1 . 1 1 79 79 ALA CA C 79 53.390 53.390 55.195 -1.805 19007 417 1 1 . 1 1 79 79 ALA CB C 79 18.500 18.500 17.881 0.619 19007 418 1 1 . 1 1 79 79 ALA H H 79 8.210 8.210 8.503 -0.293 19007 419 1 1 . 1 1 80 80 SER N N 80 113.260 113.260 114.122 -0.862 19007 420 1 1 . 1 1 80 80 SER HA H 80 4.253 4.253 4.325 -0.072 19007 421 1 1 . 1 1 80 80 SER C C 80 174.869 174.869 175.133 -0.264 19007 422 1 1 . 1 1 80 80 SER CA C 80 60.550 60.550 60.475 0.075 19007 423 1 1 . 1 1 80 80 SER CB C 80 63.130 63.130 63.198 -0.068 19007 424 1 1 . 1 1 80 80 SER H H 80 7.600 7.600 7.941 -0.341 19007 425 1 1 . 1 1 81 81 LYS N N 81 123.510 123.510 118.043 5.467 19007 426 1 1 . 1 1 81 81 LYS HA H 81 4.527 4.527 4.635 -0.108 19007 427 1 1 . 1 1 81 81 LYS C C 81 176.289 176.289 175.181 1.108 19007 428 1 1 . 1 1 81 81 LYS CA C 81 54.000 54.000 55.420 -1.420 19007 429 1 1 . 1 1 81 81 LYS CB C 81 30.440 30.440 32.928 -2.488 19007 430 1 1 . 1 1 81 81 LYS H H 81 7.690 7.690 7.820 -0.130 19007 431 1 1 . 1 1 82 82 LYS N N 82 120.760 120.760 121.065 -0.305 19007 432 1 1 . 1 1 82 82 LYS HA H 82 4.539 4.539 4.212 0.327 19007 433 1 1 . 1 1 82 82 LYS C C 82 176.835 176.835 175.917 0.918 19007 434 1 1 . 1 1 82 82 LYS CA C 82 59.090 59.090 56.921 2.169 19007 435 1 1 . 1 1 82 82 LYS CB C 82 32.330 32.330 30.507 1.823 19007 436 1 1 . 1 1 82 82 LYS H H 82 8.190 8.190 7.576 0.614 19007 437 1 1 . 1 1 83 83 ASP N N 83 117.280 117.280 120.983 -3.703 19007 438 1 1 . 1 1 83 83 ASP HA H 83 4.659 4.659 4.587 0.072 19007 439 1 1 . 1 1 83 83 ASP C C 83 174.460 174.460 176.008 -1.548 19007 440 1 1 . 1 1 83 83 ASP CA C 83 55.390 55.390 54.858 0.532 19007 441 1 1 . 1 1 83 83 ASP CB C 83 40.680 40.680 41.484 -0.804 19007 442 1 1 . 1 1 83 83 ASP H H 83 8.670 8.670 8.429 0.241 19007 443 1 1 . 1 1 84 84 LEU N N 84 117.780 117.780 119.260 -1.480 19007 444 1 1 . 1 1 84 84 LEU HA H 84 5.100 5.100 4.214 0.886 19007 445 1 1 . 1 1 84 84 LEU C C 84 176.753 176.753 176.993 -0.240 19007 446 1 1 . 1 1 84 84 LEU CA C 84 54.560 54.560 53.885 0.675 19007 447 1 1 . 1 1 84 84 LEU CB C 84 43.690 43.690 42.340 1.350 19007 448 1 1 . 1 1 84 84 LEU H H 84 7.640 7.640 7.427 0.213 19007 449 1 1 . 1 1 85 85 PHE N N 85 117.610 117.610 120.352 -2.742 19007 450 1 1 . 1 1 85 85 PHE HA H 85 4.754 4.754 4.554 0.200 19007 451 1 1 . 1 1 85 85 PHE C C 85 173.204 173.204 174.664 -1.460 19007 452 1 1 . 1 1 85 85 PHE CA C 85 56.400 56.400 57.697 -1.297 19007 453 1 1 . 1 1 85 85 PHE CB C 85 42.000 42.000 37.527 4.473 19007 454 1 1 . 1 1 85 85 PHE H H 85 8.280 8.280 8.223 0.057 19007 455 1 1 . 1 1 86 86 VAL N N 86 123.600 123.600 122.359 1.241 19007 456 1 1 . 1 1 86 86 VAL HA H 86 3.882 3.882 4.816 -0.934 19007 457 1 1 . 1 1 86 86 VAL C C 86 174.651 174.651 174.784 -0.133 19007 458 1 1 . 1 1 86 86 VAL CA C 86 63.640 63.640 60.834 2.806 19007 459 1 1 . 1 1 86 86 VAL CB C 86 31.440 31.440 33.718 -2.278 19007 460 1 1 . 1 1 86 86 VAL H H 86 8.880 8.880 7.796 1.084 19007 461 1 1 . 1 1 87 87 HIS N N 87 130.690 130.690 127.320 3.370 19007 462 1 1 . 1 1 87 87 HIS HA H 87 4.420 4.420 4.857 -0.437 19007 463 1 1 . 1 1 87 87 HIS C C 87 175.497 175.497 173.652 1.845 19007 464 1 1 . 1 1 87 87 HIS CA C 87 58.090 58.090 55.626 2.464 19007 465 1 1 . 1 1 87 87 HIS CB C 87 32.870 32.870 32.436 0.434 19007 466 1 1 . 1 1 87 87 HIS H H 87 9.320 9.320 9.037 0.283 19007 467 1 1 . 1 1 88 88 SER N N 88 109.280 109.280 120.382 -11.102 19007 468 1 1 . 1 1 88 88 SER HA H 88 4.503 4.503 5.567 -1.064 19007 469 1 1 . 1 1 88 88 SER C C 88 172.248 172.248 173.521 -1.273 19007 470 1 1 . 1 1 88 88 SER CA C 88 57.560 57.560 57.108 0.452 19007 471 1 1 . 1 1 88 88 SER CB C 88 64.890 64.890 64.995 -0.105 19007 472 1 1 . 1 1 88 88 SER H H 88 7.370 7.370 8.457 -1.087 19007 473 1 1 . 1 1 89 89 ILE N N 89 122.260 122.260 124.971 -2.711 19007 474 1 1 . 1 1 89 89 ILE HA H 89 4.265 4.265 4.565 -0.300 19007 475 1 1 . 1 1 89 89 ILE C C 89 174.569 174.569 173.390 1.179 19007 476 1 1 . 1 1 89 89 ILE CA C 89 61.110 61.110 60.739 0.371 19007 477 1 1 . 1 1 89 89 ILE CB C 89 39.960 39.960 41.847 -1.887 19007 478 1 1 . 1 1 89 89 ILE H H 89 8.400 8.400 9.022 -0.622 19007 479 1 1 . 1 1 90 90 ASP N N 90 126.690 126.690 126.318 0.372 19007 480 1 1 . 1 1 90 90 ASP HA H 90 5.064 5.064 5.379 -0.315 19007 481 1 1 . 1 1 90 90 ASP C C 90 174.469 174.469 176.026 -1.557 19007 482 1 1 . 1 1 90 90 ASP CA C 90 53.600 53.600 52.837 0.763 19007 483 1 1 . 1 1 90 90 ASP CB C 90 44.230 44.230 42.938 1.292 19007 484 1 1 . 1 1 90 90 ASP H H 90 8.800 8.800 8.334 0.466 19007 485 1 1 . 1 1 91 91 SER N N 91 116.760 116.760 112.631 4.129 19007 486 1 1 . 1 1 91 91 SER HA H 91 4.781 4.781 4.649 0.132 19007 487 1 1 . 1 1 91 91 SER C C 91 173.164 173.164 173.498 -0.334 19007 488 1 1 . 1 1 91 91 SER CA C 91 57.430 57.430 57.725 -0.295 19007 489 1 1 . 1 1 91 91 SER CB C 91 65.250 65.250 63.996 1.254 19007 490 1 1 . 1 1 91 91 SER H H 91 8.500 8.500 8.405 0.095 19007 491 1 1 . 1 1 92 92 GLU N N 92 123.420 123.420 120.523 2.897 19007 492 1 1 . 1 1 92 92 GLU HA H 92 4.355 4.355 4.236 0.119 19007 493 1 1 . 1 1 92 92 GLU C C 92 176.419 176.419 176.234 0.185 19007 494 1 1 . 1 1 92 92 GLU CA C 92 56.250 56.250 55.837 0.413 19007 495 1 1 . 1 1 92 92 GLU CB C 92 30.730 30.730 30.222 0.508 19007 496 1 1 . 1 1 92 92 GLU H H 92 8.620 8.620 8.102 0.518 19007 497 1 1 . 1 1 93 93 VAL N N 93 122.090 122.090 121.019 1.071 19007 498 1 1 . 1 1 93 93 VAL HA H 93 4.105 4.105 4.295 -0.190 19007 499 1 1 . 1 1 93 93 VAL CA C 93 62.240 62.240 60.887 1.353 19007 500 1 1 . 1 1 93 93 VAL CB C 93 32.860 32.860 32.950 -0.090 19007 501 1 1 . 1 1 93 93 VAL H H 93 8.220 8.220 8.543 -0.323 19007 502 1 1 . 1 1 96 96 LYS HA H 96 4.079 4.079 4.388 -0.309 19007 503 1 1 . 1 1 96 96 LYS C C 96 176.053 176.053 175.781 0.272 19007 504 1 1 . 1 1 96 96 LYS CA C 96 62.497 62.497 56.243 6.254 19007 505 1 1 . 1 1 96 96 LYS CB C 96 32.776 32.776 32.355 0.421 19007 506 1 1 . 1 1 97 97 LYS N N 97 126.170 126.170 123.608 2.562 19007 507 1 1 . 1 1 97 97 LYS HA H 97 4.300 4.300 4.505 -0.205 19007 508 1 1 . 1 1 97 97 LYS C C 97 176.665 176.665 176.163 0.502 19007 509 1 1 . 1 1 97 97 LYS CA C 97 56.730 56.730 55.911 0.819 19007 510 1 1 . 1 1 97 97 LYS CB C 97 33.020 33.020 34.812 -1.792 19007 511 1 1 . 1 1 97 97 LYS H H 97 8.500 8.500 7.930 0.570 19007 512 1 1 . 1 1 98 98 GLU N N 98 122.020 122.020 125.045 -3.025 19007 513 1 1 . 1 1 98 98 GLU HA H 98 4.226 4.226 4.381 -0.155 19007 514 1 1 . 1 1 98 98 GLU C C 98 176.382 176.382 176.000 0.382 19007 515 1 1 . 1 1 98 98 GLU CA C 98 56.890 56.890 55.909 0.981 19007 516 1 1 . 1 1 98 98 GLU CB C 98 30.410 30.410 29.231 1.179 19007 517 1 1 . 1 1 98 98 GLU H H 98 8.470 8.470 8.927 -0.457 19007 518 1 1 . 1 1 99 99 ALA N N 99 124.770 124.770 128.438 -3.668 19007 519 1 1 . 1 1 99 99 ALA HA H 99 4.281 4.281 4.392 -0.111 19007 520 1 1 . 1 1 99 99 ALA C C 99 177.723 177.723 176.670 1.053 19007 521 1 1 . 1 1 99 99 ALA CA C 99 52.880 52.880 51.534 1.346 19007 522 1 1 . 1 1 99 99 ALA CB C 99 19.320 19.320 18.343 0.977 19007 523 1 1 . 1 1 99 99 ALA H H 99 8.310 8.310 8.374 -0.064 19007 524 1 1 . 1 1 100 100 GLN N N 100 119.190 119.190 122.236 -3.046 19007 525 1 1 . 1 1 100 100 GLN HA H 100 4.266 4.266 4.188 0.078 19007 526 1 1 . 1 1 100 100 GLN CA C 100 56.000 56.000 55.818 0.182 19007 527 1 1 . 1 1 100 100 GLN CB C 100 29.970 29.970 29.478 0.492 19007 528 1 1 . 1 1 100 100 GLN H H 100 8.280 8.280 7.912 0.368 19007 529 1 1 . 1 1 101 101 GLN N N 101 120.421 120.421 127.508 -7.087 19007 530 1 1 . 1 1 101 101 GLN HA H 101 4.650 4.650 4.393 0.257 19007 531 1 1 . 1 1 101 101 GLN C C 101 175.725 175.725 174.934 0.791 19007 532 1 1 . 1 1 101 101 GLN CA C 101 56.073 56.073 55.343 0.730 19007 533 1 1 . 1 1 101 101 GLN CB C 101 29.524 29.524 28.117 1.407 19007 534 1 1 . 1 1 101 101 GLN H H 101 8.114 8.114 8.682 -0.568 19007 535 1 1 . 1 1 102 102 ILE N N 102 122.940 122.940 125.274 -2.334 19007 536 1 1 . 1 1 102 102 ILE HA H 102 4.119 4.119 4.364 -0.245 19007 537 1 1 . 1 1 102 102 ILE C C 102 175.916 175.916 174.756 1.160 19007 538 1 1 . 1 1 102 102 ILE CA C 102 61.260 61.260 61.127 0.133 19007 539 1 1 . 1 1 102 102 ILE CB C 102 38.790 38.790 39.312 -0.522 19007 540 1 1 . 1 1 102 102 ILE H H 102 8.240 8.240 7.830 0.410 19007 541 1 1 . 1 1 103 103 ARG N N 103 125.780 125.780 127.659 -1.879 19007 542 1 1 . 1 1 103 103 ARG HA H 103 4.369 4.369 4.666 -0.297 19007 543 1 1 . 1 1 103 103 ARG C C 103 175.752 175.752 175.666 0.086 19007 544 1 1 . 1 1 103 103 ARG CA C 103 55.940 55.940 55.697 0.243 19007 545 1 1 . 1 1 103 103 ARG CB C 103 31.340 31.340 31.271 0.069 19007 546 1 1 . 1 1 103 103 ARG H H 103 8.400 8.400 8.588 -0.188 19007 547 1 1 . 1 1 104 104 GLU N N 104 123.840 123.840 121.719 2.121 19007 548 1 1 . 1 1 104 104 GLU HA H 104 4.296 4.296 4.413 -0.117 19007 549 1 1 . 1 1 104 104 GLU C C 104 175.314 175.314 176.313 -0.999 19007 550 1 1 . 1 1 104 104 GLU CA C 104 56.430 56.430 56.478 -0.048 19007 551 1 1 . 1 1 104 104 GLU CB C 104 30.560 30.560 30.492 0.068 19007 552 1 1 . 1 1 104 104 GLU H H 104 8.510 8.510 8.682 -0.172 19007 553 1 2 . 1 1 6 6 THR HA H 6 4.321 4.321 4.600 -0.279 19007 554 1 2 . 1 1 6 6 THR C C 6 174.339 174.339 173.758 0.581 19007 555 1 2 . 1 1 6 6 THR CA C 6 62.139 62.139 60.291 1.848 19007 556 1 2 . 1 1 6 6 THR CB C 6 69.788 69.788 70.971 -1.183 19007 557 1 2 . 1 1 7 7 LYS N N 7 124.350 124.350 121.662 2.688 19007 558 1 2 . 1 1 7 7 LYS HA H 7 4.265 4.265 4.227 0.038 19007 559 1 2 . 1 1 7 7 LYS C C 7 176.341 176.341 175.708 0.633 19007 560 1 2 . 1 1 7 7 LYS CA C 7 56.980 56.980 56.379 0.601 19007 561 1 2 . 1 1 7 7 LYS CB C 7 33.110 33.110 32.878 0.232 19007 562 1 2 . 1 1 7 7 LYS H H 7 8.320 8.320 8.303 0.017 19007 563 1 2 . 1 1 8 8 LYS N N 8 123.170 123.170 121.804 1.366 19007 564 1 2 . 1 1 8 8 LYS HA H 8 4.253 4.253 4.534 -0.281 19007 565 1 2 . 1 1 8 8 LYS C C 8 176.083 176.083 175.853 0.230 19007 566 1 2 . 1 1 8 8 LYS CA C 8 56.450 56.450 55.678 0.772 19007 567 1 2 . 1 1 8 8 LYS CB C 8 33.480 33.480 33.800 -0.320 19007 568 1 2 . 1 1 8 8 LYS H H 8 8.340 8.340 8.224 0.116 19007 569 1 2 . 1 1 9 9 GLN N N 9 123.010 123.010 120.177 2.833 19007 570 1 2 . 1 1 9 9 GLN HA H 9 4.289 4.289 4.343 -0.054 19007 571 1 2 . 1 1 9 9 GLN C C 9 174.914 174.914 175.420 -0.506 19007 572 1 2 . 1 1 9 9 GLN CA C 9 56.520 56.520 57.494 -0.974 19007 573 1 2 . 1 1 9 9 GLN CB C 9 30.790 30.790 29.154 1.636 19007 574 1 2 . 1 1 9 9 GLN H H 9 8.440 8.440 8.594 -0.154 19007 575 1 2 . 1 1 10 10 GLN N N 10 121.180 121.180 118.603 2.577 19007 576 1 2 . 1 1 10 10 GLN HA H 10 4.769 4.769 4.444 0.325 19007 577 1 2 . 1 1 10 10 GLN C C 10 175.865 175.865 174.336 1.529 19007 578 1 2 . 1 1 10 10 GLN CA C 10 55.580 55.580 54.829 0.751 19007 579 1 2 . 1 1 10 10 GLN CB C 10 29.630 29.630 29.848 -0.218 19007 580 1 2 . 1 1 10 10 GLN H H 10 8.170 8.170 7.996 0.174 19007 581 1 2 . 1 1 11 11 TYR N N 11 120.110 120.110 116.913 3.197 19007 582 1 2 . 1 1 11 11 TYR HA H 11 4.769 4.769 4.708 0.061 19007 583 1 2 . 1 1 11 11 TYR C C 11 174.319 174.319 172.748 1.571 19007 584 1 2 . 1 1 11 11 TYR CA C 11 58.490 58.490 56.320 2.170 19007 585 1 2 . 1 1 11 11 TYR CB C 11 39.350 39.350 39.090 0.260 19007 586 1 2 . 1 1 11 11 TYR H H 11 8.470 8.470 8.069 0.401 19007 587 1 2 . 1 1 12 12 VAL N N 12 117.030 117.030 121.274 -4.244 19007 588 1 2 . 1 1 12 12 VAL HA H 12 4.793 4.793 5.143 -0.350 19007 589 1 2 . 1 1 12 12 VAL C C 12 174.636 174.636 174.478 0.158 19007 590 1 2 . 1 1 12 12 VAL CA C 12 60.730 60.730 60.357 0.373 19007 591 1 2 . 1 1 12 12 VAL CB C 12 34.790 34.790 34.962 -0.172 19007 592 1 2 . 1 1 12 12 VAL H H 12 7.590 7.590 8.435 -0.845 19007 593 1 2 . 1 1 13 13 THR N N 13 121.770 121.770 123.080 -1.310 19007 594 1 2 . 1 1 13 13 THR HA H 13 4.615 4.615 4.706 -0.091 19007 595 1 2 . 1 1 13 13 THR C C 13 173.030 173.030 172.086 0.944 19007 596 1 2 . 1 1 13 13 THR CA C 13 61.540 61.540 62.007 -0.467 19007 597 1 2 . 1 1 13 13 THR CB C 13 71.050 71.050 70.944 0.106 19007 598 1 2 . 1 1 13 13 THR H H 13 8.620 8.620 8.645 -0.025 19007 599 1 2 . 1 1 14 14 ILE N N 14 126.190 126.190 126.666 -0.476 19007 600 1 2 . 1 1 14 14 ILE HA H 14 4.781 4.781 4.572 0.209 19007 601 1 2 . 1 1 14 14 ILE C C 14 175.112 175.112 174.373 0.739 19007 602 1 2 . 1 1 14 14 ILE CA C 14 61.120 61.120 60.583 0.537 19007 603 1 2 . 1 1 14 14 ILE CB C 14 40.340 40.340 40.658 -0.318 19007 604 1 2 . 1 1 14 14 ILE H H 14 8.890 8.890 8.492 0.398 19007 605 1 2 . 1 1 15 15 LYS N N 15 127.020 127.020 128.559 -1.539 19007 606 1 2 . 1 1 15 15 LYS HA H 15 4.734 4.734 4.645 0.089 19007 607 1 2 . 1 1 15 15 LYS C C 15 175.409 175.409 174.887 0.522 19007 608 1 2 . 1 1 15 15 LYS CA C 15 54.740 54.740 55.013 -0.273 19007 609 1 2 . 1 1 15 15 LYS CB C 15 35.430 35.430 33.674 1.756 19007 610 1 2 . 1 1 15 15 LYS H H 15 8.850 8.850 8.986 -0.136 19007 611 1 2 . 1 1 16 16 GLY N N 16 112.120 112.120 114.616 -2.496 19007 612 1 2 . 1 1 16 16 GLY C C 16 172.566 172.566 173.829 -1.263 19007 613 1 2 . 1 1 16 16 GLY CA C 16 45.560 45.560 45.035 0.525 19007 614 1 2 . 1 1 16 16 GLY H H 16 8.870 8.870 8.687 0.183 19007 615 1 2 . 1 1 17 17 THR N N 17 114.520 114.520 116.132 -1.612 19007 616 1 2 . 1 1 17 17 THR HA H 17 4.753 4.753 4.651 0.102 19007 617 1 2 . 1 1 17 17 THR CA C 17 60.360 60.360 61.895 -1.536 19007 618 1 2 . 1 1 17 17 THR CB C 17 72.040 72.040 70.147 1.893 19007 619 1 2 . 1 1 17 17 THR H H 17 8.380 8.380 8.864 -0.483 19007 620 1 2 . 1 1 19 19 ASN HA H 19 4.778 4.778 5.053 -0.275 19007 621 1 2 . 1 1 19 19 ASN C C 19 174.616 174.616 176.068 -1.452 19007 622 1 2 . 1 1 19 19 ASN CA C 19 53.700 53.700 51.757 1.944 19007 623 1 2 . 1 1 19 19 ASN CB C 19 39.018 39.018 40.528 -1.510 19007 624 1 2 . 1 1 20 20 GLY N N 20 108.600 108.600 108.093 0.507 19007 625 1 2 . 1 1 20 20 GLY C C 20 172.297 172.297 174.229 -1.932 19007 626 1 2 . 1 1 20 20 GLY CA C 20 46.310 46.310 46.399 -0.089 19007 627 1 2 . 1 1 20 20 GLY H H 20 7.590 7.590 8.520 -0.930 19007 628 1 2 . 1 1 21 21 LEU N N 21 123.210 123.210 121.350 1.860 19007 629 1 2 . 1 1 21 21 LEU HA H 21 5.015 5.015 4.837 0.178 19007 630 1 2 . 1 1 21 21 LEU C C 21 176.202 176.202 174.271 1.931 19007 631 1 2 . 1 1 21 21 LEU CA C 21 54.090 54.090 55.702 -1.612 19007 632 1 2 . 1 1 21 21 LEU CB C 21 45.940 45.940 44.816 1.124 19007 633 1 2 . 1 1 21 21 LEU H H 21 8.760 8.760 8.267 0.493 19007 634 1 2 . 1 1 22 22 THR N N 22 120.430 120.430 123.529 -3.099 19007 635 1 2 . 1 1 22 22 THR HA H 22 5.191 5.191 4.661 0.530 19007 636 1 2 . 1 1 22 22 THR C C 22 172.852 172.852 173.594 -0.742 19007 637 1 2 . 1 1 22 22 THR CA C 22 61.850 61.850 61.413 0.438 19007 638 1 2 . 1 1 22 22 THR CB C 22 69.800 69.800 68.532 1.268 19007 639 1 2 . 1 1 22 22 THR H H 22 9.150 9.150 9.071 0.079 19007 640 1 2 . 1 1 23 23 LEU N N 23 127.110 127.110 123.703 3.407 19007 641 1 2 . 1 1 23 23 LEU HA H 23 4.910 4.910 5.345 -0.435 19007 642 1 2 . 1 1 23 23 LEU C C 23 174.200 174.200 174.864 -0.664 19007 643 1 2 . 1 1 23 23 LEU CA C 23 52.770 52.770 53.136 -0.366 19007 644 1 2 . 1 1 23 23 LEU CB C 23 44.220 44.220 44.732 -0.512 19007 645 1 2 . 1 1 23 23 LEU H H 23 8.870 8.870 8.139 0.731 19007 646 1 2 . 1 1 24 24 HIS N N 24 124.600 124.600 122.772 1.828 19007 647 1 2 . 1 1 24 24 HIS HA H 24 4.875 4.875 5.258 -0.383 19007 648 1 2 . 1 1 24 24 HIS C C 24 174.033 174.033 172.881 1.152 19007 649 1 2 . 1 1 24 24 HIS CA C 24 56.000 56.000 54.700 1.300 19007 650 1 2 . 1 1 24 24 HIS CB C 24 30.400 30.400 33.562 -3.162 19007 651 1 2 . 1 1 24 24 HIS H H 24 9.160 9.160 9.261 -0.101 19007 652 1 2 . 1 1 25 25 LEU N N 25 125.950 125.950 129.238 -3.288 19007 653 1 2 . 1 1 25 25 LEU HA H 25 4.382 4.382 4.639 -0.257 19007 654 1 2 . 1 1 25 25 LEU C C 25 175.806 175.806 173.792 2.014 19007 655 1 2 . 1 1 25 25 LEU CA C 25 53.250 53.250 53.790 -0.540 19007 656 1 2 . 1 1 25 25 LEU CB C 25 41.030 41.030 45.433 -4.403 19007 657 1 2 . 1 1 25 25 LEU H H 25 8.420 8.420 8.168 0.252 19007 658 1 2 . 1 1 26 26 ASP N N 26 126.170 126.170 128.511 -2.341 19007 659 1 2 . 1 1 26 26 ASP HA H 26 4.344 4.344 5.018 -0.674 19007 660 1 2 . 1 1 26 26 ASP C C 26 176.302 176.302 174.493 1.809 19007 661 1 2 . 1 1 26 26 ASP CA C 26 56.480 56.480 53.521 2.959 19007 662 1 2 . 1 1 26 26 ASP CB C 26 43.880 43.880 41.720 2.160 19007 663 1 2 . 1 1 26 26 ASP H H 26 8.630 8.630 8.241 0.389 19007 664 1 2 . 1 1 27 27 ASP N N 27 122.430 122.430 123.266 -0.836 19007 665 1 2 . 1 1 27 27 ASP HA H 27 4.540 4.540 4.835 -0.295 19007 666 1 2 . 1 1 27 27 ASP C C 27 176.381 176.381 173.532 2.849 19007 667 1 2 . 1 1 27 27 ASP CA C 27 54.060 54.060 53.265 0.795 19007 668 1 2 . 1 1 27 27 ASP CB C 27 40.820 40.820 45.276 -4.456 19007 669 1 2 . 1 1 27 27 ASP H H 27 8.150 8.150 7.762 0.388 19007 670 1 2 . 1 1 28 28 ALA N N 28 123.520 123.520 124.494 -0.974 19007 671 1 2 . 1 1 28 28 ALA HA H 28 4.600 4.600 5.273 -0.673 19007 672 1 2 . 1 1 28 28 ALA C C 28 178.324 178.324 177.685 0.639 19007 673 1 2 . 1 1 28 28 ALA CA C 28 52.860 52.860 50.358 2.502 19007 674 1 2 . 1 1 28 28 ALA CB C 28 20.790 20.790 20.219 0.571 19007 675 1 2 . 1 1 28 28 ALA H H 28 8.480 8.480 8.361 0.119 19007 676 1 2 . 1 1 29 29 CYS N N 29 115.580 115.580 116.573 -0.993 19007 677 1 2 . 1 1 29 29 CYS HA H 29 4.680 4.680 3.847 0.833 19007 678 1 2 . 1 1 29 29 CYS C C 29 174.696 174.696 174.312 0.384 19007 679 1 2 . 1 1 29 29 CYS CA C 29 56.060 56.060 60.323 -4.263 19007 680 1 2 . 1 1 29 29 CYS CB C 29 29.050 29.050 26.801 2.249 19007 681 1 2 . 1 1 29 29 CYS H H 29 7.510 7.510 9.009 -1.499 19007 682 1 2 . 1 1 30 30 SER N N 30 119.090 119.090 114.466 4.624 19007 683 1 2 . 1 1 30 30 SER HA H 30 4.500 4.500 4.373 0.127 19007 684 1 2 . 1 1 30 30 SER CA C 30 58.370 58.370 58.189 0.181 19007 685 1 2 . 1 1 30 30 SER CB C 30 64.170 64.170 64.491 -0.321 19007 686 1 2 . 1 1 30 30 SER H H 30 9.170 9.170 7.676 1.494 19007 687 1 2 . 1 1 31 31 PHE HA H 31 4.041 4.041 4.613 -0.572 19007 688 1 2 . 1 1 31 31 PHE C C 31 176.440 176.440 176.810 -0.370 19007 689 1 2 . 1 1 31 31 PHE CA C 31 62.491 62.491 58.137 4.354 19007 690 1 2 . 1 1 31 31 PHE CB C 31 39.018 39.018 40.111 -1.093 19007 691 1 2 . 1 1 32 32 ASP N N 32 116.020 116.020 121.973 -5.953 19007 692 1 2 . 1 1 32 32 ASP HA H 32 4.139 4.139 4.697 -0.558 19007 693 1 2 . 1 1 32 32 ASP C C 32 178.978 178.978 176.662 2.316 19007 694 1 2 . 1 1 32 32 ASP CA C 32 57.670 57.670 53.900 3.770 19007 695 1 2 . 1 1 32 32 ASP CB C 32 40.290 40.290 40.236 0.054 19007 696 1 2 . 1 1 32 32 ASP H H 32 8.370 8.370 8.887 -0.517 19007 697 1 2 . 1 1 33 33 GLU N N 33 120.170 120.170 120.269 -0.099 19007 698 1 2 . 1 1 33 33 GLU HA H 33 4.149 4.149 4.087 0.062 19007 699 1 2 . 1 1 33 33 GLU C C 33 179.256 179.256 178.346 0.910 19007 700 1 2 . 1 1 33 33 GLU CA C 33 58.810 58.810 58.959 -0.149 19007 701 1 2 . 1 1 33 33 GLU CB C 33 29.510 29.510 29.032 0.478 19007 702 1 2 . 1 1 33 33 GLU H H 33 7.560 7.560 8.847 -1.287 19007 703 1 2 . 1 1 34 34 LEU N N 34 121.930 121.930 119.568 2.362 19007 704 1 2 . 1 1 34 34 LEU HA H 34 3.755 3.755 4.254 -0.499 19007 705 1 2 . 1 1 34 34 LEU C C 34 178.205 178.205 178.955 -0.750 19007 706 1 2 . 1 1 34 34 LEU CA C 34 57.910 57.910 57.012 0.898 19007 707 1 2 . 1 1 34 34 LEU CB C 34 41.980 41.980 40.978 1.002 19007 708 1 2 . 1 1 34 34 LEU H H 34 7.730 7.730 8.239 -0.509 19007 709 1 2 . 1 1 35 35 LEU N N 35 118.190 118.190 120.696 -2.506 19007 710 1 2 . 1 1 35 35 LEU HA H 35 3.575 3.575 3.978 -0.403 19007 711 1 2 . 1 1 35 35 LEU C C 35 179.295 179.295 178.407 0.888 19007 712 1 2 . 1 1 35 35 LEU CA C 35 57.990 57.990 57.898 0.092 19007 713 1 2 . 1 1 35 35 LEU CB C 35 40.900 40.900 42.011 -1.111 19007 714 1 2 . 1 1 35 35 LEU H H 35 7.880 7.880 7.500 0.380 19007 715 1 2 . 1 1 36 36 ASP N N 36 118.760 118.760 118.279 0.481 19007 716 1 2 . 1 1 36 36 ASP HA H 36 4.308 4.308 4.322 -0.014 19007 717 1 2 . 1 1 36 36 ASP C C 36 178.819 178.819 178.619 0.200 19007 718 1 2 . 1 1 36 36 ASP CA C 36 57.570 57.570 58.237 -0.667 19007 719 1 2 . 1 1 36 36 ASP CB C 36 41.500 41.500 40.737 0.763 19007 720 1 2 . 1 1 36 36 ASP H H 36 7.580 7.580 8.807 -1.227 19007 721 1 2 . 1 1 37 37 GLY N N 37 107.520 107.520 108.551 -1.031 19007 722 1 2 . 1 1 37 37 GLY C C 37 176.678 176.678 176.502 0.176 19007 723 1 2 . 1 1 37 37 GLY CA C 37 47.340 47.340 47.252 0.088 19007 724 1 2 . 1 1 37 37 GLY H H 37 8.210 8.210 7.912 0.298 19007 725 1 2 . 1 1 38 38 LEU N N 38 123.680 123.680 122.246 1.434 19007 726 1 2 . 1 1 38 38 LEU HA H 38 4.007 4.007 4.252 -0.245 19007 727 1 2 . 1 1 38 38 LEU C C 38 177.769 177.769 178.255 -0.486 19007 728 1 2 . 1 1 38 38 LEU CA C 38 57.970 57.970 56.781 1.189 19007 729 1 2 . 1 1 38 38 LEU CB C 38 42.250 42.250 41.659 0.591 19007 730 1 2 . 1 1 38 38 LEU H H 38 8.800 8.800 7.701 1.099 19007 731 1 2 . 1 1 39 39 GLN N N 39 118.840 118.840 120.248 -1.408 19007 732 1 2 . 1 1 39 39 GLN HA H 39 3.887 3.887 3.856 0.031 19007 733 1 2 . 1 1 39 39 GLN C C 39 178.443 178.443 178.348 0.095 19007 734 1 2 . 1 1 39 39 GLN CA C 39 59.450 59.450 59.825 -0.375 19007 735 1 2 . 1 1 39 39 GLN CB C 39 28.400 28.400 28.352 0.048 19007 736 1 2 . 1 1 39 39 GLN H H 39 8.460 8.460 8.807 -0.347 19007 737 1 2 . 1 1 40 40 ASN N N 40 116.110 116.110 118.410 -2.300 19007 738 1 2 . 1 1 40 40 ASN HA H 40 4.488 4.488 4.434 0.054 19007 739 1 2 . 1 1 40 40 ASN C C 40 177.491 177.491 177.792 -0.301 19007 740 1 2 . 1 1 40 40 ASN CA C 40 56.330 56.330 56.133 0.197 19007 741 1 2 . 1 1 40 40 ASN CB C 40 39.230 39.230 38.537 0.693 19007 742 1 2 . 1 1 40 40 ASN H H 40 7.810 7.810 8.394 -0.584 19007 743 1 2 . 1 1 41 41 MET N N 41 119.840 119.840 120.457 -0.617 19007 744 1 2 . 1 1 41 41 MET HA H 41 4.344 4.344 4.199 0.145 19007 745 1 2 . 1 1 41 41 MET C C 41 177.551 177.551 178.596 -1.045 19007 746 1 2 . 1 1 41 41 MET CA C 41 58.140 58.140 57.777 0.363 19007 747 1 2 . 1 1 41 41 MET CB C 41 32.600 32.600 32.436 0.164 19007 748 1 2 . 1 1 41 41 MET H H 41 8.060 8.060 7.463 0.597 19007 749 1 2 . 1 1 42 42 LEU N N 42 116.680 116.680 119.574 -2.894 19007 750 1 2 . 1 1 42 42 LEU HA H 42 4.236 4.236 3.947 0.289 19007 751 1 2 . 1 1 42 42 LEU C C 42 177.055 177.055 178.918 -1.863 19007 752 1 2 . 1 1 42 42 LEU CA C 42 55.850 55.850 57.648 -1.798 19007 753 1 2 . 1 1 42 42 LEU CB C 42 41.490 41.490 41.362 0.128 19007 754 1 2 . 1 1 42 42 LEU H H 42 8.280 8.280 8.811 -0.531 19007 755 1 2 . 1 1 43 43 SER N N 43 113.420 113.420 114.663 -1.243 19007 756 1 2 . 1 1 43 43 SER HA H 43 4.452 4.452 4.234 0.218 19007 757 1 2 . 1 1 43 43 SER C C 43 174.755 174.755 175.277 -0.522 19007 758 1 2 . 1 1 43 43 SER CA C 43 59.340 59.340 61.903 -2.562 19007 759 1 2 . 1 1 43 43 SER CB C 43 63.580 63.580 63.249 0.331 19007 760 1 2 . 1 1 43 43 SER H H 43 7.650 7.650 8.183 -0.533 19007 761 1 2 . 1 1 44 44 ILE N N 44 120.390 120.390 117.397 2.993 19007 762 1 2 . 1 1 44 44 ILE HA H 44 4.188 4.188 4.268 -0.080 19007 763 1 2 . 1 1 44 44 ILE C C 44 176.440 176.440 175.629 0.811 19007 764 1 2 . 1 1 44 44 ILE CA C 44 61.500 61.500 60.824 0.676 19007 765 1 2 . 1 1 44 44 ILE CB C 44 38.640 38.640 38.422 0.218 19007 766 1 2 . 1 1 44 44 ILE H H 44 7.590 7.590 7.348 0.242 19007 767 1 2 . 1 1 45 45 GLU N N 45 118.850 118.850 119.803 -0.953 19007 768 1 2 . 1 1 45 45 GLU HA H 45 4.272 4.272 4.444 -0.172 19007 769 1 2 . 1 1 45 45 GLU C C 45 176.698 176.698 176.723 -0.025 19007 770 1 2 . 1 1 45 45 GLU CA C 45 61.950 61.950 56.989 4.961 19007 771 1 2 . 1 1 45 45 GLU CB C 45 29.840 29.840 31.998 -2.158 19007 772 1 2 . 1 1 45 45 GLU H H 45 8.200 8.200 7.953 0.247 19007 773 1 2 . 1 1 46 46 GLN N N 46 118.260 118.260 119.132 -0.872 19007 774 1 2 . 1 1 46 46 GLN HA H 46 4.212 4.212 4.630 -0.418 19007 775 1 2 . 1 1 46 46 GLN C C 46 176.361 176.361 174.302 2.059 19007 776 1 2 . 1 1 46 46 GLN CA C 46 56.770 56.770 54.984 1.786 19007 777 1 2 . 1 1 46 46 GLN CB C 46 28.920 28.920 29.833 -0.913 19007 778 1 2 . 1 1 46 46 GLN H H 46 8.270 8.270 8.194 0.076 19007 779 1 2 . 1 1 47 47 TYR N N 47 117.690 117.690 120.539 -2.849 19007 780 1 2 . 1 1 47 47 TYR HA H 47 4.701 4.701 5.103 -0.402 19007 781 1 2 . 1 1 47 47 TYR C C 47 175.588 175.588 174.387 1.201 19007 782 1 2 . 1 1 47 47 TYR CA C 47 58.290 58.290 55.776 2.514 19007 783 1 2 . 1 1 47 47 TYR CB C 47 39.250 39.250 38.385 0.865 19007 784 1 2 . 1 1 47 47 TYR H H 47 7.980 7.980 8.062 -0.082 19007 785 1 2 . 1 1 48 48 THR N N 48 108.930 108.930 117.520 -8.590 19007 786 1 2 . 1 1 48 48 THR HA H 48 4.464 4.464 4.284 0.180 19007 787 1 2 . 1 1 48 48 THR C C 48 176.381 176.381 173.556 2.825 19007 788 1 2 . 1 1 48 48 THR CA C 48 61.150 61.150 61.959 -0.809 19007 789 1 2 . 1 1 48 48 THR CB C 48 70.190 70.190 69.913 0.277 19007 790 1 2 . 1 1 48 48 THR H H 48 7.570 7.570 8.060 -0.490 19007 791 1 2 . 1 1 49 49 ASP N N 49 121.350 121.350 125.264 -3.914 19007 792 1 2 . 1 1 49 49 ASP HA H 49 4.752 4.752 4.790 -0.038 19007 793 1 2 . 1 1 49 49 ASP C C 49 177.015 177.015 177.136 -0.121 19007 794 1 2 . 1 1 49 49 ASP CA C 49 53.710 53.710 53.220 0.490 19007 795 1 2 . 1 1 49 49 ASP CB C 49 41.200 41.200 43.606 -2.406 19007 796 1 2 . 1 1 49 49 ASP H H 49 8.100 8.100 8.402 -0.302 19007 797 1 2 . 1 1 50 50 GLY N N 50 112.360 112.360 111.162 1.198 19007 798 1 2 . 1 1 50 50 GLY C C 50 175.449 175.449 175.441 0.008 19007 799 1 2 . 1 1 50 50 GLY CA C 50 46.000 46.000 46.819 -0.819 19007 800 1 2 . 1 1 50 50 GLY H H 50 9.080 9.080 8.787 0.293 19007 801 1 2 . 1 1 51 51 LYS N N 51 119.510 119.510 119.660 -0.150 19007 802 1 2 . 1 1 51 51 LYS HA H 51 4.200 4.200 4.509 -0.309 19007 803 1 2 . 1 1 51 51 LYS C C 51 177.214 177.214 175.645 1.569 19007 804 1 2 . 1 1 51 51 LYS CA C 51 56.540 56.540 55.318 1.222 19007 805 1 2 . 1 1 51 51 LYS CB C 51 31.420 31.420 32.448 -1.028 19007 806 1 2 . 1 1 51 51 LYS H H 51 8.590 8.590 8.558 0.032 19007 807 1 2 . 1 1 52 52 GLY N N 52 108.180 108.180 109.784 -1.604 19007 808 1 2 . 1 1 52 52 GLY C C 52 174.279 174.279 173.851 0.428 19007 809 1 2 . 1 1 52 52 GLY CA C 52 45.450 45.450 44.844 0.606 19007 810 1 2 . 1 1 52 52 GLY H H 52 8.670 8.670 7.531 1.139 19007 811 1 2 . 1 1 53 53 GLN N N 53 120.010 120.010 120.947 -0.937 19007 812 1 2 . 1 1 53 53 GLN HA H 53 4.440 4.440 4.125 0.315 19007 813 1 2 . 1 1 53 53 GLN C C 53 175.001 175.001 175.504 -0.503 19007 814 1 2 . 1 1 53 53 GLN CA C 53 54.580 54.580 55.730 -1.150 19007 815 1 2 . 1 1 53 53 GLN CB C 53 30.330 30.330 29.025 1.305 19007 816 1 2 . 1 1 53 53 GLN H H 53 7.860 7.860 8.402 -0.542 19007 817 1 2 . 1 1 54 54 LYS N N 54 120.420 120.420 128.129 -7.709 19007 818 1 2 . 1 1 54 54 LYS HA H 54 4.704 4.704 4.805 -0.101 19007 819 1 2 . 1 1 54 54 LYS C C 54 176.753 176.753 175.557 1.196 19007 820 1 2 . 1 1 54 54 LYS CA C 54 55.830 55.830 55.733 0.098 19007 821 1 2 . 1 1 54 54 LYS CB C 54 33.850 33.850 33.053 0.797 19007 822 1 2 . 1 1 54 54 LYS H H 54 8.250 8.250 8.640 -0.390 19007 823 1 2 . 1 1 55 55 ILE N N 55 125.360 125.360 130.319 -4.959 19007 824 1 2 . 1 1 55 55 ILE HA H 55 4.169 4.169 4.814 -0.645 19007 825 1 2 . 1 1 55 55 ILE C C 55 174.405 174.405 174.630 -0.225 19007 826 1 2 . 1 1 55 55 ILE CA C 55 60.350 60.350 60.521 -0.171 19007 827 1 2 . 1 1 55 55 ILE CB C 55 39.690 39.690 38.122 1.568 19007 828 1 2 . 1 1 55 55 ILE H H 55 9.050 9.050 9.240 -0.190 19007 829 1 2 . 1 1 56 56 SER N N 56 121.850 121.850 124.367 -2.517 19007 830 1 2 . 1 1 56 56 SER HA H 56 4.480 4.480 5.205 -0.725 19007 831 1 2 . 1 1 56 56 SER C C 56 174.105 174.105 173.541 0.564 19007 832 1 2 . 1 1 56 56 SER CA C 56 57.410 57.410 56.180 1.230 19007 833 1 2 . 1 1 56 56 SER CB C 56 64.080 64.080 63.319 0.761 19007 834 1 2 . 1 1 56 56 SER H H 56 8.330 8.330 9.097 -0.767 19007 835 1 2 . 1 1 57 57 VAL N N 57 123.190 123.190 127.244 -4.054 19007 836 1 2 . 1 1 57 57 VAL HA H 57 4.861 4.861 4.188 0.673 19007 837 1 2 . 1 1 57 57 VAL C C 57 174.869 174.869 174.409 0.460 19007 838 1 2 . 1 1 57 57 VAL CA C 57 61.130 61.130 62.166 -1.036 19007 839 1 2 . 1 1 57 57 VAL CB C 57 33.600 33.600 30.931 2.669 19007 840 1 2 . 1 1 57 57 VAL H H 57 8.680 8.680 8.587 0.093 19007 841 1 2 . 1 1 58 58 HIS N N 58 129.590 129.590 127.955 1.635 19007 842 1 2 . 1 1 58 58 HIS HA H 58 5.076 5.076 5.143 -0.067 19007 843 1 2 . 1 1 58 58 HIS C C 58 174.351 174.351 174.846 -0.495 19007 844 1 2 . 1 1 58 58 HIS CA C 58 54.420 54.420 53.904 0.516 19007 845 1 2 . 1 1 58 58 HIS CB C 58 31.720 31.720 29.848 1.872 19007 846 1 2 . 1 1 58 58 HIS H H 58 9.050 9.050 8.158 0.892 19007 847 1 2 . 1 1 59 59 VAL N N 59 125.260 125.260 120.487 4.773 19007 848 1 2 . 1 1 59 59 VAL HA H 59 4.408 4.408 4.448 -0.040 19007 849 1 2 . 1 1 59 59 VAL C C 59 174.460 174.460 175.496 -1.036 19007 850 1 2 . 1 1 59 59 VAL CA C 59 62.370 62.370 60.906 1.464 19007 851 1 2 . 1 1 59 59 VAL CB C 59 32.760 32.760 29.857 2.903 19007 852 1 2 . 1 1 59 59 VAL H H 59 8.800 8.800 8.597 0.203 19007 853 1 2 . 1 1 60 60 LYS N N 60 128.520 128.520 127.525 0.995 19007 854 1 2 . 1 1 60 60 LYS HA H 60 4.909 4.909 4.412 0.497 19007 855 1 2 . 1 1 60 60 LYS C C 60 175.825 175.825 175.588 0.237 19007 856 1 2 . 1 1 60 60 LYS CA C 60 54.450 54.450 55.618 -1.168 19007 857 1 2 . 1 1 60 60 LYS CB C 60 32.490 32.490 30.101 2.389 19007 858 1 2 . 1 1 60 60 LYS H H 60 9.040 9.040 8.210 0.830 19007 859 1 2 . 1 1 61 61 LEU N N 61 121.430 121.430 120.838 0.592 19007 860 1 2 . 1 1 61 61 LEU HA H 61 4.527 4.527 4.784 -0.257 19007 861 1 2 . 1 1 61 61 LEU C C 61 178.910 178.910 178.166 0.744 19007 862 1 2 . 1 1 61 61 LEU CA C 61 54.410 54.410 54.979 -0.569 19007 863 1 2 . 1 1 61 61 LEU CB C 61 44.330 44.330 42.823 1.507 19007 864 1 2 . 1 1 61 61 LEU H H 61 8.700 8.700 7.705 0.995 19007 865 1 2 . 1 1 62 62 GLY N N 62 110.520 110.520 107.195 3.325 19007 866 1 2 . 1 1 62 62 GLY C C 62 175.350 175.350 174.616 0.734 19007 867 1 2 . 1 1 62 62 GLY CA C 62 46.710 46.710 46.089 0.621 19007 868 1 2 . 1 1 62 62 GLY H H 62 9.060 9.060 8.110 0.950 19007 869 1 2 . 1 1 63 63 ASN N N 63 127.090 127.090 122.102 4.988 19007 870 1 2 . 1 1 63 63 ASN HA H 63 4.778 4.778 4.643 0.135 19007 871 1 2 . 1 1 63 63 ASN C C 63 174.214 174.214 175.293 -1.079 19007 872 1 2 . 1 1 63 63 ASN CA C 63 52.910 52.910 53.155 -0.245 19007 873 1 2 . 1 1 63 63 ASN CB C 63 38.100 38.100 36.959 1.141 19007 874 1 2 . 1 1 63 63 ASN H H 63 10.390 10.390 8.886 1.504 19007 875 1 2 . 1 1 64 64 ARG N N 64 121.850 121.850 121.008 0.842 19007 876 1 2 . 1 1 64 64 ARG HA H 64 4.265 4.265 4.188 0.077 19007 877 1 2 . 1 1 64 64 ARG C C 64 174.214 174.214 176.712 -2.498 19007 878 1 2 . 1 1 64 64 ARG CA C 64 56.330 56.330 56.459 -0.129 19007 879 1 2 . 1 1 64 64 ARG CB C 64 33.860 33.860 30.207 3.653 19007 880 1 2 . 1 1 64 64 ARG H H 64 7.520 7.520 7.578 -0.058 19007 881 1 2 . 1 1 65 65 PHE N N 65 127.760 127.760 118.842 8.918 19007 882 1 2 . 1 1 65 65 PHE HA H 65 4.503 4.503 4.083 0.420 19007 883 1 2 . 1 1 65 65 PHE C C 65 176.508 176.508 173.635 2.873 19007 884 1 2 . 1 1 65 65 PHE CA C 65 56.760 56.760 58.240 -1.480 19007 885 1 2 . 1 1 65 65 PHE CB C 65 40.430 40.430 37.868 2.562 19007 886 1 2 . 1 1 65 65 PHE H H 65 8.580 8.580 7.586 0.994 19007 887 1 2 . 1 1 66 66 LEU N N 66 125.260 125.260 125.078 0.182 19007 888 1 2 . 1 1 66 66 LEU HA H 66 4.288 4.288 4.499 -0.211 19007 889 1 2 . 1 1 66 66 LEU C C 66 176.508 176.508 175.636 0.872 19007 890 1 2 . 1 1 66 66 LEU CA C 66 53.080 53.080 54.252 -1.172 19007 891 1 2 . 1 1 66 66 LEU CB C 66 43.170 43.170 43.254 -0.084 19007 892 1 2 . 1 1 66 66 LEU H H 66 8.040 8.040 8.012 0.028 19007 893 1 2 . 1 1 67 67 TYR N N 67 120.480 120.480 126.616 -6.136 19007 894 1 2 . 1 1 67 67 TYR HA H 67 4.515 4.515 4.255 0.260 19007 895 1 2 . 1 1 67 67 TYR C C 67 177.791 177.791 176.386 1.405 19007 896 1 2 . 1 1 67 67 TYR CA C 67 58.120 58.120 58.410 -0.290 19007 897 1 2 . 1 1 67 67 TYR CB C 67 39.320 39.320 37.356 1.964 19007 898 1 2 . 1 1 67 67 TYR H H 67 7.880 7.880 9.001 -1.121 19007 899 1 2 . 1 1 68 68 LYS N N 68 125.020 125.020 125.772 -0.752 19007 900 1 2 . 1 1 68 68 LYS HA H 68 4.034 4.034 3.937 0.097 19007 901 1 2 . 1 1 68 68 LYS C C 68 178.364 178.364 177.650 0.714 19007 902 1 2 . 1 1 68 68 LYS CA C 68 60.130 60.130 59.060 1.070 19007 903 1 2 . 1 1 68 68 LYS CB C 68 32.150 32.150 32.016 0.134 19007 904 1 2 . 1 1 68 68 LYS H H 68 9.120 9.120 7.924 1.196 19007 905 1 2 . 1 1 69 69 GLU N N 69 116.430 116.430 119.118 -2.688 19007 906 1 2 . 1 1 69 69 GLU HA H 69 4.133 4.133 4.008 0.125 19007 907 1 2 . 1 1 69 69 GLU C C 69 179.538 179.538 178.907 0.631 19007 908 1 2 . 1 1 69 69 GLU CA C 69 60.030 60.030 59.379 0.651 19007 909 1 2 . 1 1 69 69 GLU CB C 69 28.560 28.560 28.378 0.182 19007 910 1 2 . 1 1 69 69 GLU H H 69 9.460 9.460 8.633 0.827 19007 911 1 2 . 1 1 70 70 GLN N N 70 117.670 117.670 118.407 -0.737 19007 912 1 2 . 1 1 70 70 GLN HA H 70 4.120 4.120 4.261 -0.141 19007 913 1 2 . 1 1 70 70 GLN C C 70 177.955 177.955 178.499 -0.544 19007 914 1 2 . 1 1 70 70 GLN CA C 70 57.950 57.950 58.691 -0.741 19007 915 1 2 . 1 1 70 70 GLN CB C 70 29.290 29.290 28.398 0.892 19007 916 1 2 . 1 1 70 70 GLN H H 70 7.000 7.000 7.898 -0.898 19007 917 1 2 . 1 1 71 71 GLU N N 71 120.850 120.850 120.479 0.371 19007 918 1 2 . 1 1 71 71 GLU HA H 71 3.668 3.668 3.988 -0.320 19007 919 1 2 . 1 1 71 71 GLU C C 71 179.429 179.429 179.051 0.378 19007 920 1 2 . 1 1 71 71 GLU CA C 71 60.620 60.620 59.600 1.020 19007 921 1 2 . 1 1 71 71 GLU CB C 71 29.660 29.660 29.584 0.076 19007 922 1 2 . 1 1 71 71 GLU H H 71 8.080 8.080 7.673 0.407 19007 923 1 2 . 1 1 72 72 GLU N N 72 119.670 119.670 120.366 -0.696 19007 924 1 2 . 1 1 72 72 GLU HA H 72 4.038 4.038 3.946 0.092 19007 925 1 2 . 1 1 72 72 GLU C C 72 178.446 178.446 178.789 -0.343 19007 926 1 2 . 1 1 72 72 GLU CA C 72 59.690 59.690 59.761 -0.071 19007 927 1 2 . 1 1 72 72 GLU CB C 72 29.350 29.350 29.609 -0.259 19007 928 1 2 . 1 1 72 72 GLU H H 72 8.390 8.390 8.409 -0.019 19007 929 1 2 . 1 1 73 73 GLN N N 73 119.030 119.030 117.697 1.333 19007 930 1 2 . 1 1 73 73 GLN HA H 73 4.110 4.110 4.200 -0.090 19007 931 1 2 . 1 1 73 73 GLN C C 73 179.320 179.320 178.387 0.933 19007 932 1 2 . 1 1 73 73 GLN CA C 73 59.470 59.470 58.598 0.872 19007 933 1 2 . 1 1 73 73 GLN CB C 73 29.480 29.480 28.536 0.944 19007 934 1 2 . 1 1 73 73 GLN H H 73 7.730 7.730 8.340 -0.610 19007 935 1 2 . 1 1 74 74 LEU N N 74 119.760 119.760 115.648 4.112 19007 936 1 2 . 1 1 74 74 LEU HA H 74 3.918 3.918 4.479 -0.561 19007 937 1 2 . 1 1 74 74 LEU C C 74 177.818 177.818 178.829 -1.011 19007 938 1 2 . 1 1 74 74 LEU CA C 74 58.720 58.720 57.159 1.561 19007 939 1 2 . 1 1 74 74 LEU CB C 74 42.890 42.890 41.855 1.035 19007 940 1 2 . 1 1 74 74 LEU H H 74 8.290 8.290 7.475 0.815 19007 941 1 2 . 1 1 75 75 THR N N 75 113.520 113.520 117.595 -4.075 19007 942 1 2 . 1 1 75 75 THR HA H 75 3.680 3.680 4.028 -0.348 19007 943 1 2 . 1 1 75 75 THR C C 75 176.480 176.480 176.340 0.140 19007 944 1 2 . 1 1 75 75 THR CA C 75 66.990 66.990 66.924 0.066 19007 945 1 2 . 1 1 75 75 THR CB C 75 68.640 68.640 68.324 0.316 19007 946 1 2 . 1 1 75 75 THR H H 75 8.450 8.450 8.064 0.386 19007 947 1 2 . 1 1 76 76 GLU N N 76 121.340 121.340 121.914 -0.574 19007 948 1 2 . 1 1 76 76 GLU HA H 76 4.014 4.014 3.930 0.084 19007 949 1 2 . 1 1 76 76 GLU C C 76 178.965 178.965 178.542 0.423 19007 950 1 2 . 1 1 76 76 GLU CA C 76 59.190 59.190 59.686 -0.496 19007 951 1 2 . 1 1 76 76 GLU CB C 76 29.590 29.590 29.369 0.221 19007 952 1 2 . 1 1 76 76 GLU H H 76 8.330 8.330 8.272 0.058 19007 953 1 2 . 1 1 77 77 LEU N N 77 120.170 120.170 118.243 1.927 19007 954 1 2 . 1 1 77 77 LEU HA H 77 3.955 3.955 4.123 -0.168 19007 955 1 2 . 1 1 77 77 LEU C C 77 180.057 180.057 178.751 1.306 19007 956 1 2 . 1 1 77 77 LEU CA C 77 58.510 58.510 57.918 0.592 19007 957 1 2 . 1 1 77 77 LEU CB C 77 42.716 42.716 42.167 0.549 19007 958 1 2 . 1 1 77 77 LEU H H 77 7.560 7.560 7.521 0.039 19007 959 1 2 . 1 1 78 78 ILE N N 78 119.930 119.930 117.459 2.471 19007 960 1 2 . 1 1 78 78 ILE HA H 78 3.429 3.429 3.942 -0.513 19007 961 1 2 . 1 1 78 78 ILE C C 78 176.043 176.043 177.331 -1.288 19007 962 1 2 . 1 1 78 78 ILE CA C 78 65.740 65.740 62.791 2.949 19007 963 1 2 . 1 1 78 78 ILE CB C 78 37.960 37.960 38.518 -0.558 19007 964 1 2 . 1 1 78 78 ILE H H 78 7.740 7.740 7.714 0.026 19007 965 1 2 . 1 1 79 79 ALA N N 79 116.940 116.940 123.107 -6.167 19007 966 1 2 . 1 1 79 79 ALA HA H 79 4.229 4.229 4.097 0.132 19007 967 1 2 . 1 1 79 79 ALA C C 79 178.719 178.719 179.570 -0.851 19007 968 1 2 . 1 1 79 79 ALA CA C 79 53.390 53.390 55.044 -1.654 19007 969 1 2 . 1 1 79 79 ALA CB C 79 18.500 18.500 18.019 0.481 19007 970 1 2 . 1 1 79 79 ALA H H 79 8.210 8.210 8.622 -0.412 19007 971 1 2 . 1 1 80 80 SER N N 80 113.260 113.260 113.715 -0.455 19007 972 1 2 . 1 1 80 80 SER HA H 80 4.253 4.253 4.318 -0.065 19007 973 1 2 . 1 1 80 80 SER C C 80 174.869 174.869 175.198 -0.329 19007 974 1 2 . 1 1 80 80 SER CA C 80 60.550 60.550 60.378 0.172 19007 975 1 2 . 1 1 80 80 SER CB C 80 63.130 63.130 63.567 -0.437 19007 976 1 2 . 1 1 80 80 SER H H 80 7.600 7.600 7.958 -0.358 19007 977 1 2 . 1 1 81 81 LYS N N 81 123.510 123.510 118.666 4.844 19007 978 1 2 . 1 1 81 81 LYS HA H 81 4.527 4.527 4.668 -0.141 19007 979 1 2 . 1 1 81 81 LYS C C 81 176.289 176.289 174.916 1.373 19007 980 1 2 . 1 1 81 81 LYS CA C 81 54.000 54.000 55.483 -1.482 19007 981 1 2 . 1 1 81 81 LYS CB C 81 30.440 30.440 32.787 -2.347 19007 982 1 2 . 1 1 81 81 LYS H H 81 7.690 7.690 7.781 -0.091 19007 983 1 2 . 1 1 82 82 LYS N N 82 120.760 120.760 121.061 -0.301 19007 984 1 2 . 1 1 82 82 LYS HA H 82 4.539 4.539 4.250 0.289 19007 985 1 2 . 1 1 82 82 LYS C C 82 176.835 176.835 176.010 0.825 19007 986 1 2 . 1 1 82 82 LYS CA C 82 59.090 59.090 56.629 2.461 19007 987 1 2 . 1 1 82 82 LYS CB C 82 32.330 32.330 30.519 1.811 19007 988 1 2 . 1 1 82 82 LYS H H 82 8.190 8.190 7.868 0.322 19007 989 1 2 . 1 1 83 83 ASP N N 83 117.280 117.280 121.041 -3.761 19007 990 1 2 . 1 1 83 83 ASP HA H 83 4.659 4.659 4.480 0.179 19007 991 1 2 . 1 1 83 83 ASP C C 83 174.460 174.460 176.321 -1.861 19007 992 1 2 . 1 1 83 83 ASP CA C 83 55.390 55.390 55.043 0.347 19007 993 1 2 . 1 1 83 83 ASP CB C 83 40.680 40.680 41.258 -0.578 19007 994 1 2 . 1 1 83 83 ASP H H 83 8.670 8.670 8.229 0.441 19007 995 1 2 . 1 1 84 84 LEU N N 84 117.780 117.780 118.539 -0.759 19007 996 1 2 . 1 1 84 84 LEU HA H 84 5.100 5.100 4.063 1.037 19007 997 1 2 . 1 1 84 84 LEU C C 84 176.753 176.753 177.672 -0.919 19007 998 1 2 . 1 1 84 84 LEU CA C 84 54.560 54.560 53.897 0.663 19007 999 1 2 . 1 1 84 84 LEU CB C 84 43.690 43.690 41.673 2.017 19007 1000 1 2 . 1 1 84 84 LEU H H 84 7.640 7.640 7.655 -0.015 19007 1001 1 2 . 1 1 85 85 PHE N N 85 117.610 117.610 120.852 -3.242 19007 1002 1 2 . 1 1 85 85 PHE HA H 85 4.754 4.754 4.612 0.142 19007 1003 1 2 . 1 1 85 85 PHE C C 85 173.204 173.204 174.833 -1.629 19007 1004 1 2 . 1 1 85 85 PHE CA C 85 56.400 56.400 57.473 -1.073 19007 1005 1 2 . 1 1 85 85 PHE CB C 85 42.000 42.000 37.604 4.396 19007 1006 1 2 . 1 1 85 85 PHE H H 85 8.280 8.280 8.223 0.057 19007 1007 1 2 . 1 1 86 86 VAL N N 86 123.600 123.600 122.277 1.323 19007 1008 1 2 . 1 1 86 86 VAL HA H 86 3.882 3.882 4.974 -1.092 19007 1009 1 2 . 1 1 86 86 VAL C C 86 174.651 174.651 175.285 -0.634 19007 1010 1 2 . 1 1 86 86 VAL CA C 86 63.640 63.640 60.676 2.964 19007 1011 1 2 . 1 1 86 86 VAL CB C 86 31.440 31.440 33.610 -2.170 19007 1012 1 2 . 1 1 86 86 VAL H H 86 8.880 8.880 7.719 1.161 19007 1013 1 2 . 1 1 87 87 HIS N N 87 130.690 130.690 128.662 2.028 19007 1014 1 2 . 1 1 87 87 HIS HA H 87 4.420 4.420 4.940 -0.520 19007 1015 1 2 . 1 1 87 87 HIS C C 87 175.497 175.497 173.984 1.513 19007 1016 1 2 . 1 1 87 87 HIS CA C 87 58.090 58.090 55.353 2.737 19007 1017 1 2 . 1 1 87 87 HIS CB C 87 32.870 32.870 31.811 1.060 19007 1018 1 2 . 1 1 87 87 HIS H H 87 9.320 9.320 9.390 -0.070 19007 1019 1 2 . 1 1 88 88 SER N N 88 109.280 109.280 121.554 -12.274 19007 1020 1 2 . 1 1 88 88 SER HA H 88 4.503 4.503 5.274 -0.771 19007 1021 1 2 . 1 1 88 88 SER C C 88 172.248 172.248 173.357 -1.109 19007 1022 1 2 . 1 1 88 88 SER CA C 88 57.560 57.560 57.980 -0.420 19007 1023 1 2 . 1 1 88 88 SER CB C 88 64.890 64.890 64.636 0.254 19007 1024 1 2 . 1 1 88 88 SER H H 88 7.370 7.370 8.773 -1.403 19007 1025 1 2 . 1 1 89 89 ILE N N 89 122.260 122.260 125.193 -2.933 19007 1026 1 2 . 1 1 89 89 ILE HA H 89 4.265 4.265 4.650 -0.385 19007 1027 1 2 . 1 1 89 89 ILE C C 89 174.569 174.569 173.212 1.357 19007 1028 1 2 . 1 1 89 89 ILE CA C 89 61.110 61.110 59.797 1.312 19007 1029 1 2 . 1 1 89 89 ILE CB C 89 39.960 39.960 41.846 -1.886 19007 1030 1 2 . 1 1 89 89 ILE H H 89 8.400 8.400 9.083 -0.683 19007 1031 1 2 . 1 1 90 90 ASP N N 90 126.690 126.690 125.504 1.186 19007 1032 1 2 . 1 1 90 90 ASP HA H 90 5.064 5.064 5.476 -0.412 19007 1033 1 2 . 1 1 90 90 ASP C C 90 174.469 174.469 175.463 -0.994 19007 1034 1 2 . 1 1 90 90 ASP CA C 90 53.600 53.600 52.872 0.728 19007 1035 1 2 . 1 1 90 90 ASP CB C 90 44.230 44.230 43.263 0.967 19007 1036 1 2 . 1 1 90 90 ASP H H 90 8.800 8.800 8.477 0.323 19007 1037 1 2 . 1 1 91 91 SER N N 91 116.760 116.760 112.421 4.339 19007 1038 1 2 . 1 1 91 91 SER HA H 91 4.781 4.781 4.809 -0.028 19007 1039 1 2 . 1 1 91 91 SER C C 91 173.164 173.164 173.443 -0.279 19007 1040 1 2 . 1 1 91 91 SER CA C 91 57.430 57.430 57.817 -0.387 19007 1041 1 2 . 1 1 91 91 SER CB C 91 65.250 65.250 63.604 1.646 19007 1042 1 2 . 1 1 91 91 SER H H 91 8.500 8.500 8.500 0.000 19007 1043 1 2 . 1 1 92 92 GLU N N 92 123.420 123.420 122.129 1.291 19007 1044 1 2 . 1 1 92 92 GLU HA H 92 4.355 4.355 4.672 -0.317 19007 1045 1 2 . 1 1 92 92 GLU C C 92 176.419 176.419 176.225 0.194 19007 1046 1 2 . 1 1 92 92 GLU CA C 92 56.250 56.250 55.225 1.025 19007 1047 1 2 . 1 1 92 92 GLU CB C 92 30.730 30.730 30.550 0.180 19007 1048 1 2 . 1 1 92 92 GLU H H 92 8.620 8.620 8.826 -0.206 19007 1049 1 2 . 1 1 93 93 VAL N N 93 122.090 122.090 119.489 2.601 19007 1050 1 2 . 1 1 93 93 VAL HA H 93 4.105 4.105 4.256 -0.151 19007 1051 1 2 . 1 1 93 93 VAL CA C 93 62.240 62.240 60.661 1.579 19007 1052 1 2 . 1 1 93 93 VAL CB C 93 32.860 32.860 33.855 -0.995 19007 1053 1 2 . 1 1 93 93 VAL H H 93 8.220 8.220 8.249 -0.029 19007 1054 1 2 . 1 1 96 96 LYS HA H 96 4.079 4.079 4.424 -0.345 19007 1055 1 2 . 1 1 96 96 LYS C C 96 176.053 176.053 175.321 0.732 19007 1056 1 2 . 1 1 96 96 LYS CA C 96 62.497 62.497 56.005 6.492 19007 1057 1 2 . 1 1 96 96 LYS CB C 96 32.776 32.776 32.635 0.141 19007 1058 1 2 . 1 1 97 97 LYS N N 97 126.170 126.170 125.749 0.421 19007 1059 1 2 . 1 1 97 97 LYS HA H 97 4.300 4.300 4.447 -0.147 19007 1060 1 2 . 1 1 97 97 LYS C C 97 176.665 176.665 176.739 -0.074 19007 1061 1 2 . 1 1 97 97 LYS CA C 97 56.730 56.730 55.696 1.034 19007 1062 1 2 . 1 1 97 97 LYS CB C 97 33.020 33.020 32.886 0.134 19007 1063 1 2 . 1 1 97 97 LYS H H 97 8.500 8.500 8.208 0.292 19007 1064 1 2 . 1 1 98 98 GLU N N 98 122.020 122.020 128.080 -6.060 19007 1065 1 2 . 1 1 98 98 GLU HA H 98 4.226 4.226 4.330 -0.104 19007 1066 1 2 . 1 1 98 98 GLU C C 98 176.382 176.382 175.341 1.041 19007 1067 1 2 . 1 1 98 98 GLU CA C 98 56.890 56.890 56.212 0.678 19007 1068 1 2 . 1 1 98 98 GLU CB C 98 30.410 30.410 27.952 2.458 19007 1069 1 2 . 1 1 98 98 GLU H H 98 8.470 8.470 9.023 -0.553 19007 1070 1 2 . 1 1 99 99 ALA N N 99 124.770 124.770 126.625 -1.855 19007 1071 1 2 . 1 1 99 99 ALA HA H 99 4.281 4.281 4.508 -0.227 19007 1072 1 2 . 1 1 99 99 ALA C C 99 177.723 177.723 176.879 0.844 19007 1073 1 2 . 1 1 99 99 ALA CA C 99 52.880 52.880 51.269 1.611 19007 1074 1 2 . 1 1 99 99 ALA CB C 99 19.320 19.320 18.952 0.368 19007 1075 1 2 . 1 1 99 99 ALA H H 99 8.310 8.310 8.222 0.088 19007 1076 1 2 . 1 1 100 100 GLN N N 100 119.190 119.190 123.434 -4.244 19007 1077 1 2 . 1 1 100 100 GLN HA H 100 4.266 4.266 4.291 -0.025 19007 1078 1 2 . 1 1 100 100 GLN CA C 100 56.000 56.000 55.664 0.335 19007 1079 1 2 . 1 1 100 100 GLN CB C 100 29.970 29.970 29.808 0.162 19007 1080 1 2 . 1 1 100 100 GLN H H 100 8.280 8.280 8.344 -0.064 19007 1081 1 2 . 1 1 101 101 GLN N N 101 120.421 120.421 126.420 -5.999 19007 1082 1 2 . 1 1 101 101 GLN HA H 101 4.650 4.650 4.279 0.371 19007 1083 1 2 . 1 1 101 101 GLN C C 101 175.725 175.725 175.164 0.561 19007 1084 1 2 . 1 1 101 101 GLN CA C 101 56.073 56.073 55.935 0.138 19007 1085 1 2 . 1 1 101 101 GLN CB C 101 29.524 29.524 27.310 2.214 19007 1086 1 2 . 1 1 101 101 GLN H H 101 8.114 8.114 8.792 -0.678 19007 1087 1 2 . 1 1 102 102 ILE N N 102 122.940 122.940 122.460 0.480 19007 1088 1 2 . 1 1 102 102 ILE HA H 102 4.119 4.119 4.466 -0.347 19007 1089 1 2 . 1 1 102 102 ILE C C 102 175.916 175.916 174.744 1.172 19007 1090 1 2 . 1 1 102 102 ILE CA C 102 61.260 61.260 61.089 0.171 19007 1091 1 2 . 1 1 102 102 ILE CB C 102 38.790 38.790 39.265 -0.475 19007 1092 1 2 . 1 1 102 102 ILE H H 102 8.240 8.240 8.168 0.072 19007 1093 1 2 . 1 1 103 103 ARG N N 103 125.780 125.780 128.079 -2.299 19007 1094 1 2 . 1 1 103 103 ARG HA H 103 4.369 4.369 4.582 -0.213 19007 1095 1 2 . 1 1 103 103 ARG C C 103 175.752 175.752 175.377 0.375 19007 1096 1 2 . 1 1 103 103 ARG CA C 103 55.940 55.940 55.150 0.790 19007 1097 1 2 . 1 1 103 103 ARG CB C 103 31.340 31.340 31.460 -0.120 19007 1098 1 2 . 1 1 103 103 ARG H H 103 8.400 8.400 8.440 -0.040 19007 1099 1 2 . 1 1 104 104 GLU N N 104 123.840 123.840 120.631 3.209 19007 1100 1 2 . 1 1 104 104 GLU HA H 104 4.296 4.296 4.380 -0.084 19007 1101 1 2 . 1 1 104 104 GLU C C 104 175.314 175.314 175.541 -0.227 19007 1102 1 2 . 1 1 104 104 GLU CA C 104 56.430 56.430 56.808 -0.378 19007 1103 1 2 . 1 1 104 104 GLU CB C 104 30.560 30.560 29.971 0.589 19007 1104 1 2 . 1 1 104 104 GLU H H 104 8.510 8.510 8.725 -0.215 19007 1105 1 3 . 1 1 6 6 THR HA H 6 4.321 4.321 4.364 -0.043 19007 1106 1 3 . 1 1 6 6 THR C C 6 174.339 174.339 174.379 -0.040 19007 1107 1 3 . 1 1 6 6 THR CA C 6 62.139 62.139 61.686 0.453 19007 1108 1 3 . 1 1 6 6 THR CB C 6 69.788 69.788 69.428 0.360 19007 1109 1 3 . 1 1 7 7 LYS N N 7 124.350 124.350 120.635 3.715 19007 1110 1 3 . 1 1 7 7 LYS HA H 7 4.265 4.265 4.245 0.020 19007 1111 1 3 . 1 1 7 7 LYS C C 7 176.341 176.341 176.253 0.088 19007 1112 1 3 . 1 1 7 7 LYS CA C 7 56.980 56.980 56.282 0.698 19007 1113 1 3 . 1 1 7 7 LYS CB C 7 33.110 33.110 32.971 0.139 19007 1114 1 3 . 1 1 7 7 LYS H H 7 8.320 8.320 8.333 -0.013 19007 1115 1 3 . 1 1 8 8 LYS N N 8 123.170 123.170 121.048 2.122 19007 1116 1 3 . 1 1 8 8 LYS HA H 8 4.253 4.253 4.560 -0.307 19007 1117 1 3 . 1 1 8 8 LYS C C 8 176.083 176.083 176.203 -0.120 19007 1118 1 3 . 1 1 8 8 LYS CA C 8 56.450 56.450 55.607 0.843 19007 1119 1 3 . 1 1 8 8 LYS CB C 8 33.480 33.480 33.119 0.361 19007 1120 1 3 . 1 1 8 8 LYS H H 8 8.340 8.340 8.153 0.187 19007 1121 1 3 . 1 1 9 9 GLN N N 9 123.010 123.010 120.056 2.954 19007 1122 1 3 . 1 1 9 9 GLN HA H 9 4.289 4.289 4.367 -0.077 19007 1123 1 3 . 1 1 9 9 GLN C C 9 174.914 174.914 175.404 -0.490 19007 1124 1 3 . 1 1 9 9 GLN CA C 9 56.520 56.520 56.921 -0.401 19007 1125 1 3 . 1 1 9 9 GLN CB C 9 30.790 30.790 29.404 1.386 19007 1126 1 3 . 1 1 9 9 GLN H H 9 8.440 8.440 8.614 -0.174 19007 1127 1 3 . 1 1 10 10 GLN N N 10 121.180 121.180 118.420 2.760 19007 1128 1 3 . 1 1 10 10 GLN HA H 10 4.769 4.769 4.753 0.016 19007 1129 1 3 . 1 1 10 10 GLN C C 10 175.865 175.865 174.718 1.147 19007 1130 1 3 . 1 1 10 10 GLN CA C 10 55.580 55.580 54.865 0.715 19007 1131 1 3 . 1 1 10 10 GLN CB C 10 29.630 29.630 30.880 -1.250 19007 1132 1 3 . 1 1 10 10 GLN H H 10 8.170 8.170 7.995 0.175 19007 1133 1 3 . 1 1 11 11 TYR N N 11 120.110 120.110 121.586 -1.476 19007 1134 1 3 . 1 1 11 11 TYR HA H 11 4.769 4.769 4.640 0.129 19007 1135 1 3 . 1 1 11 11 TYR C C 11 174.319 174.319 173.738 0.581 19007 1136 1 3 . 1 1 11 11 TYR CA C 11 58.490 58.490 56.852 1.638 19007 1137 1 3 . 1 1 11 11 TYR CB C 11 39.350 39.350 42.181 -2.832 19007 1138 1 3 . 1 1 11 11 TYR H H 11 8.470 8.470 8.437 0.033 19007 1139 1 3 . 1 1 12 12 VAL N N 12 117.030 117.030 122.573 -5.543 19007 1140 1 3 . 1 1 12 12 VAL HA H 12 4.793 4.793 5.194 -0.401 19007 1141 1 3 . 1 1 12 12 VAL C C 12 174.636 174.636 173.993 0.643 19007 1142 1 3 . 1 1 12 12 VAL CA C 12 60.730 60.730 61.326 -0.596 19007 1143 1 3 . 1 1 12 12 VAL CB C 12 34.790 34.790 35.033 -0.243 19007 1144 1 3 . 1 1 12 12 VAL H H 12 7.590 7.590 8.106 -0.516 19007 1145 1 3 . 1 1 13 13 THR N N 13 121.770 121.770 123.224 -1.454 19007 1146 1 3 . 1 1 13 13 THR HA H 13 4.615 4.615 4.649 -0.034 19007 1147 1 3 . 1 1 13 13 THR C C 13 173.030 173.030 172.100 0.930 19007 1148 1 3 . 1 1 13 13 THR CA C 13 61.540 61.540 62.014 -0.474 19007 1149 1 3 . 1 1 13 13 THR CB C 13 71.050 71.050 70.753 0.297 19007 1150 1 3 . 1 1 13 13 THR H H 13 8.620 8.620 8.677 -0.057 19007 1151 1 3 . 1 1 14 14 ILE N N 14 126.190 126.190 126.875 -0.685 19007 1152 1 3 . 1 1 14 14 ILE HA H 14 4.781 4.781 4.526 0.255 19007 1153 1 3 . 1 1 14 14 ILE C C 14 175.112 175.112 174.330 0.782 19007 1154 1 3 . 1 1 14 14 ILE CA C 14 61.120 61.120 60.601 0.519 19007 1155 1 3 . 1 1 14 14 ILE CB C 14 40.340 40.340 39.566 0.774 19007 1156 1 3 . 1 1 14 14 ILE H H 14 8.890 8.890 8.552 0.338 19007 1157 1 3 . 1 1 15 15 LYS N N 15 127.020 127.020 127.931 -0.911 19007 1158 1 3 . 1 1 15 15 LYS HA H 15 4.734 4.734 4.601 0.133 19007 1159 1 3 . 1 1 15 15 LYS C C 15 175.409 175.409 175.805 -0.396 19007 1160 1 3 . 1 1 15 15 LYS CA C 15 54.740 54.740 55.595 -0.855 19007 1161 1 3 . 1 1 15 15 LYS CB C 15 35.430 35.430 33.163 2.268 19007 1162 1 3 . 1 1 15 15 LYS H H 15 8.850 8.850 9.018 -0.168 19007 1163 1 3 . 1 1 16 16 GLY N N 16 112.120 112.120 113.303 -1.183 19007 1164 1 3 . 1 1 16 16 GLY C C 16 172.566 172.566 174.201 -1.635 19007 1165 1 3 . 1 1 16 16 GLY CA C 16 45.560 45.560 45.401 0.159 19007 1166 1 3 . 1 1 16 16 GLY H H 16 8.870 8.870 8.543 0.327 19007 1167 1 3 . 1 1 17 17 THR N N 17 114.520 114.520 114.339 0.181 19007 1168 1 3 . 1 1 17 17 THR HA H 17 4.753 4.753 4.319 0.434 19007 1169 1 3 . 1 1 17 17 THR CA C 17 60.360 60.360 63.080 -2.720 19007 1170 1 3 . 1 1 17 17 THR CB C 17 72.040 72.040 69.384 2.656 19007 1171 1 3 . 1 1 17 17 THR H H 17 8.380 8.380 7.806 0.574 19007 1172 1 3 . 1 1 19 19 ASN HA H 19 4.778 4.778 5.316 -0.538 19007 1173 1 3 . 1 1 19 19 ASN C C 19 174.616 174.616 176.437 -1.821 19007 1174 1 3 . 1 1 19 19 ASN CA C 19 53.700 53.700 51.803 1.897 19007 1175 1 3 . 1 1 19 19 ASN CB C 19 39.018 39.018 41.297 -2.279 19007 1176 1 3 . 1 1 20 20 GLY N N 20 108.600 108.600 108.557 0.043 19007 1177 1 3 . 1 1 20 20 GLY C C 20 172.297 172.297 174.077 -1.780 19007 1178 1 3 . 1 1 20 20 GLY CA C 20 46.310 46.310 46.581 -0.271 19007 1179 1 3 . 1 1 20 20 GLY H H 20 7.590 7.590 8.667 -1.077 19007 1180 1 3 . 1 1 21 21 LEU N N 21 123.210 123.210 121.410 1.800 19007 1181 1 3 . 1 1 21 21 LEU HA H 21 5.015 5.015 4.987 0.028 19007 1182 1 3 . 1 1 21 21 LEU C C 21 176.202 176.202 174.501 1.701 19007 1183 1 3 . 1 1 21 21 LEU CA C 21 54.090 54.090 55.494 -1.404 19007 1184 1 3 . 1 1 21 21 LEU CB C 21 45.940 45.940 43.939 2.001 19007 1185 1 3 . 1 1 21 21 LEU H H 21 8.760 8.760 8.018 0.742 19007 1186 1 3 . 1 1 22 22 THR N N 22 120.430 120.430 124.203 -3.773 19007 1187 1 3 . 1 1 22 22 THR HA H 22 5.191 5.191 4.866 0.325 19007 1188 1 3 . 1 1 22 22 THR C C 22 172.852 172.852 173.158 -0.306 19007 1189 1 3 . 1 1 22 22 THR CA C 22 61.850 61.850 61.572 0.278 19007 1190 1 3 . 1 1 22 22 THR CB C 22 69.800 69.800 69.114 0.686 19007 1191 1 3 . 1 1 22 22 THR H H 22 9.150 9.150 8.970 0.180 19007 1192 1 3 . 1 1 23 23 LEU N N 23 127.110 127.110 124.134 2.976 19007 1193 1 3 . 1 1 23 23 LEU HA H 23 4.910 4.910 5.550 -0.640 19007 1194 1 3 . 1 1 23 23 LEU C C 23 174.200 174.200 174.725 -0.525 19007 1195 1 3 . 1 1 23 23 LEU CA C 23 52.770 52.770 53.013 -0.243 19007 1196 1 3 . 1 1 23 23 LEU CB C 23 44.220 44.220 45.014 -0.794 19007 1197 1 3 . 1 1 23 23 LEU H H 23 8.870 8.870 8.118 0.752 19007 1198 1 3 . 1 1 24 24 HIS N N 24 124.600 124.600 122.956 1.644 19007 1199 1 3 . 1 1 24 24 HIS HA H 24 4.875 4.875 5.697 -0.822 19007 1200 1 3 . 1 1 24 24 HIS C C 24 174.033 174.033 173.058 0.975 19007 1201 1 3 . 1 1 24 24 HIS CA C 24 56.000 56.000 53.990 2.010 19007 1202 1 3 . 1 1 24 24 HIS CB C 24 30.400 30.400 34.050 -3.650 19007 1203 1 3 . 1 1 24 24 HIS H H 24 9.160 9.160 9.231 -0.071 19007 1204 1 3 . 1 1 25 25 LEU N N 25 125.950 125.950 128.590 -2.640 19007 1205 1 3 . 1 1 25 25 LEU HA H 25 4.382 4.382 5.069 -0.687 19007 1206 1 3 . 1 1 25 25 LEU C C 25 175.806 175.806 174.028 1.778 19007 1207 1 3 . 1 1 25 25 LEU CA C 25 53.250 53.250 53.718 -0.468 19007 1208 1 3 . 1 1 25 25 LEU CB C 25 41.030 41.030 46.434 -5.404 19007 1209 1 3 . 1 1 25 25 LEU H H 25 8.420 8.420 8.421 -0.001 19007 1210 1 3 . 1 1 26 26 ASP N N 26 126.170 126.170 126.185 -0.015 19007 1211 1 3 . 1 1 26 26 ASP HA H 26 4.344 4.344 5.119 -0.775 19007 1212 1 3 . 1 1 26 26 ASP C C 26 176.302 176.302 174.245 2.057 19007 1213 1 3 . 1 1 26 26 ASP CA C 26 56.480 56.480 53.983 2.497 19007 1214 1 3 . 1 1 26 26 ASP CB C 26 43.880 43.880 41.609 2.271 19007 1215 1 3 . 1 1 26 26 ASP H H 26 8.630 8.630 8.866 -0.236 19007 1216 1 3 . 1 1 27 27 ASP N N 27 122.430 122.430 120.285 2.145 19007 1217 1 3 . 1 1 27 27 ASP HA H 27 4.540 4.540 4.896 -0.356 19007 1218 1 3 . 1 1 27 27 ASP C C 27 176.381 176.381 174.709 1.672 19007 1219 1 3 . 1 1 27 27 ASP CA C 27 54.060 54.060 53.282 0.778 19007 1220 1 3 . 1 1 27 27 ASP CB C 27 40.820 40.820 43.691 -2.871 19007 1221 1 3 . 1 1 27 27 ASP H H 27 8.150 8.150 7.870 0.280 19007 1222 1 3 . 1 1 28 28 ALA N N 28 123.520 123.520 125.975 -2.455 19007 1223 1 3 . 1 1 28 28 ALA HA H 28 4.600 4.600 4.749 -0.149 19007 1224 1 3 . 1 1 28 28 ALA C C 28 178.324 178.324 177.841 0.483 19007 1225 1 3 . 1 1 28 28 ALA CA C 28 52.860 52.860 50.957 1.903 19007 1226 1 3 . 1 1 28 28 ALA CB C 28 20.790 20.790 20.012 0.778 19007 1227 1 3 . 1 1 28 28 ALA H H 28 8.480 8.480 8.571 -0.091 19007 1228 1 3 . 1 1 29 29 CYS N N 29 115.580 115.580 118.323 -2.743 19007 1229 1 3 . 1 1 29 29 CYS HA H 29 4.680 4.680 4.054 0.626 19007 1230 1 3 . 1 1 29 29 CYS C C 29 174.696 174.696 174.283 0.413 19007 1231 1 3 . 1 1 29 29 CYS CA C 29 56.060 56.060 59.602 -3.542 19007 1232 1 3 . 1 1 29 29 CYS CB C 29 29.050 29.050 25.635 3.415 19007 1233 1 3 . 1 1 29 29 CYS H H 29 7.510 7.510 8.920 -1.410 19007 1234 1 3 . 1 1 30 30 SER N N 30 119.090 119.090 114.370 4.720 19007 1235 1 3 . 1 1 30 30 SER HA H 30 4.500 4.500 4.756 -0.256 19007 1236 1 3 . 1 1 30 30 SER CA C 30 58.370 58.370 57.114 1.256 19007 1237 1 3 . 1 1 30 30 SER CB C 30 64.170 64.170 65.410 -1.240 19007 1238 1 3 . 1 1 30 30 SER H H 30 9.170 9.170 7.787 1.383 19007 1239 1 3 . 1 1 31 31 PHE HA H 31 4.041 4.041 4.550 -0.509 19007 1240 1 3 . 1 1 31 31 PHE C C 31 176.440 176.440 175.779 0.661 19007 1241 1 3 . 1 1 31 31 PHE CA C 31 62.491 62.491 57.716 4.775 19007 1242 1 3 . 1 1 31 31 PHE CB C 31 39.018 39.018 40.048 -1.030 19007 1243 1 3 . 1 1 32 32 ASP N N 32 116.020 116.020 124.458 -8.438 19007 1244 1 3 . 1 1 32 32 ASP HA H 32 4.139 4.139 4.643 -0.504 19007 1245 1 3 . 1 1 32 32 ASP C C 32 178.978 178.978 176.783 2.195 19007 1246 1 3 . 1 1 32 32 ASP CA C 32 57.670 57.670 52.863 4.807 19007 1247 1 3 . 1 1 32 32 ASP CB C 32 40.290 40.290 39.891 0.399 19007 1248 1 3 . 1 1 32 32 ASP H H 32 8.370 8.370 8.768 -0.398 19007 1249 1 3 . 1 1 33 33 GLU N N 33 120.170 120.170 120.604 -0.434 19007 1250 1 3 . 1 1 33 33 GLU HA H 33 4.149 4.149 4.067 0.082 19007 1251 1 3 . 1 1 33 33 GLU C C 33 179.256 179.256 178.474 0.782 19007 1252 1 3 . 1 1 33 33 GLU CA C 33 58.810 58.810 59.057 -0.247 19007 1253 1 3 . 1 1 33 33 GLU CB C 33 29.510 29.510 28.938 0.572 19007 1254 1 3 . 1 1 33 33 GLU H H 33 7.560 7.560 8.914 -1.354 19007 1255 1 3 . 1 1 34 34 LEU N N 34 121.930 121.930 119.228 2.702 19007 1256 1 3 . 1 1 34 34 LEU HA H 34 3.755 3.755 4.179 -0.424 19007 1257 1 3 . 1 1 34 34 LEU C C 34 178.205 178.205 179.149 -0.944 19007 1258 1 3 . 1 1 34 34 LEU CA C 34 57.910 57.910 56.731 1.179 19007 1259 1 3 . 1 1 34 34 LEU CB C 34 41.980 41.980 41.915 0.065 19007 1260 1 3 . 1 1 34 34 LEU H H 34 7.730 7.730 8.111 -0.381 19007 1261 1 3 . 1 1 35 35 LEU N N 35 118.190 118.190 120.938 -2.748 19007 1262 1 3 . 1 1 35 35 LEU HA H 35 3.575 3.575 4.087 -0.512 19007 1263 1 3 . 1 1 35 35 LEU C C 35 179.295 179.295 178.220 1.075 19007 1264 1 3 . 1 1 35 35 LEU CA C 35 57.990 57.990 57.718 0.272 19007 1265 1 3 . 1 1 35 35 LEU CB C 35 40.900 40.900 42.009 -1.109 19007 1266 1 3 . 1 1 35 35 LEU H H 35 7.880 7.880 7.650 0.230 19007 1267 1 3 . 1 1 36 36 ASP N N 36 118.760 118.760 119.218 -0.458 19007 1268 1 3 . 1 1 36 36 ASP HA H 36 4.308 4.308 4.339 -0.031 19007 1269 1 3 . 1 1 36 36 ASP C C 36 178.819 178.819 178.647 0.172 19007 1270 1 3 . 1 1 36 36 ASP CA C 36 57.570 57.570 58.239 -0.669 19007 1271 1 3 . 1 1 36 36 ASP CB C 36 41.500 41.500 40.617 0.883 19007 1272 1 3 . 1 1 36 36 ASP H H 36 7.580 7.580 8.836 -1.256 19007 1273 1 3 . 1 1 37 37 GLY N N 37 107.520 107.520 108.219 -0.699 19007 1274 1 3 . 1 1 37 37 GLY C C 37 176.678 176.678 176.516 0.162 19007 1275 1 3 . 1 1 37 37 GLY CA C 37 47.340 47.340 47.288 0.052 19007 1276 1 3 . 1 1 37 37 GLY H H 37 8.210 8.210 8.136 0.074 19007 1277 1 3 . 1 1 38 38 LEU N N 38 123.680 123.680 122.761 0.919 19007 1278 1 3 . 1 1 38 38 LEU HA H 38 4.007 4.007 4.143 -0.136 19007 1279 1 3 . 1 1 38 38 LEU C C 38 177.769 177.769 178.878 -1.109 19007 1280 1 3 . 1 1 38 38 LEU CA C 38 57.970 57.970 57.082 0.888 19007 1281 1 3 . 1 1 38 38 LEU CB C 38 42.250 42.250 40.720 1.530 19007 1282 1 3 . 1 1 38 38 LEU H H 38 8.800 8.800 7.544 1.256 19007 1283 1 3 . 1 1 39 39 GLN N N 39 118.840 118.840 120.156 -1.316 19007 1284 1 3 . 1 1 39 39 GLN HA H 39 3.887 3.887 3.897 -0.010 19007 1285 1 3 . 1 1 39 39 GLN C C 39 178.443 178.443 178.371 0.072 19007 1286 1 3 . 1 1 39 39 GLN CA C 39 59.450 59.450 59.560 -0.110 19007 1287 1 3 . 1 1 39 39 GLN CB C 39 28.400 28.400 28.505 -0.105 19007 1288 1 3 . 1 1 39 39 GLN H H 39 8.460 8.460 8.609 -0.149 19007 1289 1 3 . 1 1 40 40 ASN N N 40 116.110 116.110 118.408 -2.298 19007 1290 1 3 . 1 1 40 40 ASN HA H 40 4.488 4.488 4.478 0.010 19007 1291 1 3 . 1 1 40 40 ASN C C 40 177.491 177.491 177.662 -0.171 19007 1292 1 3 . 1 1 40 40 ASN CA C 40 56.330 56.330 56.274 0.056 19007 1293 1 3 . 1 1 40 40 ASN CB C 40 39.230 39.230 38.726 0.504 19007 1294 1 3 . 1 1 40 40 ASN H H 40 7.810 7.810 8.454 -0.644 19007 1295 1 3 . 1 1 41 41 MET N N 41 119.840 119.840 120.465 -0.625 19007 1296 1 3 . 1 1 41 41 MET HA H 41 4.344 4.344 4.133 0.211 19007 1297 1 3 . 1 1 41 41 MET C C 41 177.551 177.551 178.300 -0.749 19007 1298 1 3 . 1 1 41 41 MET CA C 41 58.140 58.140 59.335 -1.195 19007 1299 1 3 . 1 1 41 41 MET CB C 41 32.600 32.600 32.840 -0.240 19007 1300 1 3 . 1 1 41 41 MET H H 41 8.060 8.060 8.100 -0.040 19007 1301 1 3 . 1 1 42 42 LEU N N 42 116.680 116.680 118.722 -2.042 19007 1302 1 3 . 1 1 42 42 LEU HA H 42 4.236 4.236 3.923 0.313 19007 1303 1 3 . 1 1 42 42 LEU C C 42 177.055 177.055 179.205 -2.150 19007 1304 1 3 . 1 1 42 42 LEU CA C 42 55.850 55.850 57.874 -2.024 19007 1305 1 3 . 1 1 42 42 LEU CB C 42 41.490 41.490 41.549 -0.059 19007 1306 1 3 . 1 1 42 42 LEU H H 42 8.280 8.280 8.541 -0.261 19007 1307 1 3 . 1 1 43 43 SER N N 43 113.420 113.420 113.589 -0.169 19007 1308 1 3 . 1 1 43 43 SER HA H 43 4.452 4.452 4.157 0.295 19007 1309 1 3 . 1 1 43 43 SER C C 43 174.755 174.755 175.530 -0.775 19007 1310 1 3 . 1 1 43 43 SER CA C 43 59.340 59.340 61.772 -2.432 19007 1311 1 3 . 1 1 43 43 SER CB C 43 63.580 63.580 63.328 0.252 19007 1312 1 3 . 1 1 43 43 SER H H 43 7.650 7.650 8.041 -0.391 19007 1313 1 3 . 1 1 44 44 ILE N N 44 120.390 120.390 117.418 2.972 19007 1314 1 3 . 1 1 44 44 ILE HA H 44 4.188 4.188 4.147 0.041 19007 1315 1 3 . 1 1 44 44 ILE C C 44 176.440 176.440 176.374 0.066 19007 1316 1 3 . 1 1 44 44 ILE CA C 44 61.500 61.500 62.132 -0.632 19007 1317 1 3 . 1 1 44 44 ILE CB C 44 38.640 38.640 38.566 0.074 19007 1318 1 3 . 1 1 44 44 ILE H H 44 7.590 7.590 7.390 0.200 19007 1319 1 3 . 1 1 45 45 GLU N N 45 118.850 118.850 120.008 -1.158 19007 1320 1 3 . 1 1 45 45 GLU HA H 45 4.272 4.272 4.168 0.104 19007 1321 1 3 . 1 1 45 45 GLU C C 45 176.698 176.698 176.878 -0.180 19007 1322 1 3 . 1 1 45 45 GLU CA C 45 61.950 61.950 58.383 3.567 19007 1323 1 3 . 1 1 45 45 GLU CB C 45 29.840 29.840 30.726 -0.885 19007 1324 1 3 . 1 1 45 45 GLU H H 45 8.200 8.200 7.953 0.247 19007 1325 1 3 . 1 1 46 46 GLN N N 46 118.260 118.260 118.257 0.003 19007 1326 1 3 . 1 1 46 46 GLN HA H 46 4.212 4.212 4.417 -0.205 19007 1327 1 3 . 1 1 46 46 GLN C C 46 176.361 176.361 173.882 2.479 19007 1328 1 3 . 1 1 46 46 GLN CA C 46 56.770 56.770 55.711 1.059 19007 1329 1 3 . 1 1 46 46 GLN CB C 46 28.920 28.920 30.281 -1.361 19007 1330 1 3 . 1 1 46 46 GLN H H 46 8.270 8.270 7.944 0.326 19007 1331 1 3 . 1 1 47 47 TYR N N 47 117.690 117.690 118.618 -0.928 19007 1332 1 3 . 1 1 47 47 TYR HA H 47 4.701 4.701 5.055 -0.354 19007 1333 1 3 . 1 1 47 47 TYR C C 47 175.588 175.588 174.716 0.872 19007 1334 1 3 . 1 1 47 47 TYR CA C 47 58.290 58.290 56.590 1.700 19007 1335 1 3 . 1 1 47 47 TYR CB C 47 39.250 39.250 38.935 0.315 19007 1336 1 3 . 1 1 47 47 TYR H H 47 7.980 7.980 7.942 0.038 19007 1337 1 3 . 1 1 48 48 THR N N 48 108.930 108.930 117.597 -8.667 19007 1338 1 3 . 1 1 48 48 THR HA H 48 4.464 4.464 4.191 0.273 19007 1339 1 3 . 1 1 48 48 THR C C 48 176.381 176.381 174.118 2.263 19007 1340 1 3 . 1 1 48 48 THR CA C 48 61.150 61.150 62.185 -1.035 19007 1341 1 3 . 1 1 48 48 THR CB C 48 70.190 70.190 68.036 2.154 19007 1342 1 3 . 1 1 48 48 THR H H 48 7.570 7.570 7.475 0.095 19007 1343 1 3 . 1 1 49 49 ASP N N 49 121.350 121.350 124.272 -2.922 19007 1344 1 3 . 1 1 49 49 ASP HA H 49 4.752 4.752 4.556 0.196 19007 1345 1 3 . 1 1 49 49 ASP C C 49 177.015 177.015 177.443 -0.428 19007 1346 1 3 . 1 1 49 49 ASP CA C 49 53.710 53.710 56.789 -3.079 19007 1347 1 3 . 1 1 49 49 ASP CB C 49 41.200 41.200 41.712 -0.512 19007 1348 1 3 . 1 1 49 49 ASP H H 49 8.100 8.100 8.006 0.094 19007 1349 1 3 . 1 1 50 50 GLY N N 50 112.360 112.360 106.745 5.615 19007 1350 1 3 . 1 1 50 50 GLY C C 50 175.449 175.449 175.384 0.065 19007 1351 1 3 . 1 1 50 50 GLY CA C 50 46.000 46.000 45.951 0.049 19007 1352 1 3 . 1 1 50 50 GLY H H 50 9.080 9.080 7.975 1.105 19007 1353 1 3 . 1 1 51 51 LYS N N 51 119.510 119.510 121.497 -1.987 19007 1354 1 3 . 1 1 51 51 LYS HA H 51 4.200 4.200 4.539 -0.339 19007 1355 1 3 . 1 1 51 51 LYS C C 51 177.214 177.214 176.720 0.494 19007 1356 1 3 . 1 1 51 51 LYS CA C 51 56.540 56.540 56.581 -0.042 19007 1357 1 3 . 1 1 51 51 LYS CB C 51 31.420 31.420 34.594 -3.174 19007 1358 1 3 . 1 1 51 51 LYS H H 51 8.590 8.590 8.853 -0.263 19007 1359 1 3 . 1 1 52 52 GLY N N 52 108.180 108.180 109.295 -1.115 19007 1360 1 3 . 1 1 52 52 GLY C C 52 174.279 174.279 172.813 1.466 19007 1361 1 3 . 1 1 52 52 GLY CA C 52 45.450 45.450 45.947 -0.497 19007 1362 1 3 . 1 1 52 52 GLY H H 52 8.670 8.670 8.755 -0.085 19007 1363 1 3 . 1 1 53 53 GLN N N 53 120.010 120.010 120.541 -0.531 19007 1364 1 3 . 1 1 53 53 GLN HA H 53 4.440 4.440 4.238 0.202 19007 1365 1 3 . 1 1 53 53 GLN C C 53 175.001 175.001 174.882 0.119 19007 1366 1 3 . 1 1 53 53 GLN CA C 53 54.580 54.580 55.652 -1.072 19007 1367 1 3 . 1 1 53 53 GLN CB C 53 30.330 30.330 28.806 1.524 19007 1368 1 3 . 1 1 53 53 GLN H H 53 7.860 7.860 8.166 -0.306 19007 1369 1 3 . 1 1 54 54 LYS N N 54 120.420 120.420 127.448 -7.028 19007 1370 1 3 . 1 1 54 54 LYS HA H 54 4.704 4.704 4.897 -0.193 19007 1371 1 3 . 1 1 54 54 LYS C C 54 176.753 176.753 175.532 1.221 19007 1372 1 3 . 1 1 54 54 LYS CA C 54 55.830 55.830 55.611 0.219 19007 1373 1 3 . 1 1 54 54 LYS CB C 54 33.850 33.850 33.393 0.457 19007 1374 1 3 . 1 1 54 54 LYS H H 54 8.250 8.250 8.592 -0.342 19007 1375 1 3 . 1 1 55 55 ILE N N 55 125.360 125.360 130.379 -5.019 19007 1376 1 3 . 1 1 55 55 ILE HA H 55 4.169 4.169 4.782 -0.613 19007 1377 1 3 . 1 1 55 55 ILE C C 55 174.405 174.405 174.950 -0.545 19007 1378 1 3 . 1 1 55 55 ILE CA C 55 60.350 60.350 59.934 0.416 19007 1379 1 3 . 1 1 55 55 ILE CB C 55 39.690 39.690 38.045 1.645 19007 1380 1 3 . 1 1 55 55 ILE H H 55 9.050 9.050 9.017 0.033 19007 1381 1 3 . 1 1 56 56 SER N N 56 121.850 121.850 121.660 0.190 19007 1382 1 3 . 1 1 56 56 SER HA H 56 4.480 4.480 4.847 -0.367 19007 1383 1 3 . 1 1 56 56 SER C C 56 174.105 174.105 173.841 0.264 19007 1384 1 3 . 1 1 56 56 SER CA C 56 57.410 57.410 56.674 0.736 19007 1385 1 3 . 1 1 56 56 SER CB C 56 64.080 64.080 62.942 1.138 19007 1386 1 3 . 1 1 56 56 SER H H 56 8.330 8.330 8.247 0.083 19007 1387 1 3 . 1 1 57 57 VAL N N 57 123.190 123.190 127.276 -4.086 19007 1388 1 3 . 1 1 57 57 VAL HA H 57 4.861 4.861 4.019 0.842 19007 1389 1 3 . 1 1 57 57 VAL C C 57 174.869 174.869 175.155 -0.286 19007 1390 1 3 . 1 1 57 57 VAL CA C 57 61.130 61.130 62.724 -1.594 19007 1391 1 3 . 1 1 57 57 VAL CB C 57 33.600 33.600 31.119 2.481 19007 1392 1 3 . 1 1 57 57 VAL H H 57 8.680 8.680 8.632 0.048 19007 1393 1 3 . 1 1 58 58 HIS N N 58 129.590 129.590 127.834 1.756 19007 1394 1 3 . 1 1 58 58 HIS HA H 58 5.076 5.076 5.127 -0.051 19007 1395 1 3 . 1 1 58 58 HIS C C 58 174.351 174.351 174.720 -0.369 19007 1396 1 3 . 1 1 58 58 HIS CA C 58 54.420 54.420 53.809 0.611 19007 1397 1 3 . 1 1 58 58 HIS CB C 58 31.720 31.720 30.043 1.677 19007 1398 1 3 . 1 1 58 58 HIS H H 58 9.050 9.050 8.630 0.420 19007 1399 1 3 . 1 1 59 59 VAL N N 59 125.260 125.260 121.066 4.194 19007 1400 1 3 . 1 1 59 59 VAL HA H 59 4.408 4.408 4.497 -0.089 19007 1401 1 3 . 1 1 59 59 VAL C C 59 174.460 174.460 175.082 -0.622 19007 1402 1 3 . 1 1 59 59 VAL CA C 59 62.370 62.370 60.827 1.543 19007 1403 1 3 . 1 1 59 59 VAL CB C 59 32.760 32.760 31.524 1.236 19007 1404 1 3 . 1 1 59 59 VAL H H 59 8.800 8.800 8.557 0.243 19007 1405 1 3 . 1 1 60 60 LYS N N 60 128.520 128.520 128.250 0.270 19007 1406 1 3 . 1 1 60 60 LYS HA H 60 4.909 4.909 4.586 0.323 19007 1407 1 3 . 1 1 60 60 LYS C C 60 175.825 175.825 175.918 -0.093 19007 1408 1 3 . 1 1 60 60 LYS CA C 60 54.450 54.450 54.203 0.247 19007 1409 1 3 . 1 1 60 60 LYS CB C 60 32.490 32.490 30.918 1.573 19007 1410 1 3 . 1 1 60 60 LYS H H 60 9.040 9.040 8.526 0.514 19007 1411 1 3 . 1 1 61 61 LEU N N 61 121.430 121.430 121.727 -0.297 19007 1412 1 3 . 1 1 61 61 LEU HA H 61 4.527 4.527 4.621 -0.094 19007 1413 1 3 . 1 1 61 61 LEU C C 61 178.910 178.910 177.955 0.955 19007 1414 1 3 . 1 1 61 61 LEU CA C 61 54.410 54.410 54.983 -0.573 19007 1415 1 3 . 1 1 61 61 LEU CB C 61 44.330 44.330 42.291 2.039 19007 1416 1 3 . 1 1 61 61 LEU H H 61 8.700 8.700 7.728 0.972 19007 1417 1 3 . 1 1 62 62 GLY N N 62 110.520 110.520 107.487 3.033 19007 1418 1 3 . 1 1 62 62 GLY C C 62 175.350 175.350 174.218 1.132 19007 1419 1 3 . 1 1 62 62 GLY CA C 62 46.710 46.710 46.319 0.391 19007 1420 1 3 . 1 1 62 62 GLY H H 62 9.060 9.060 7.971 1.089 19007 1421 1 3 . 1 1 63 63 ASN N N 63 127.090 127.090 121.143 5.947 19007 1422 1 3 . 1 1 63 63 ASN HA H 63 4.778 4.778 4.615 0.163 19007 1423 1 3 . 1 1 63 63 ASN C C 63 174.214 174.214 175.919 -1.705 19007 1424 1 3 . 1 1 63 63 ASN CA C 63 52.910 52.910 53.257 -0.347 19007 1425 1 3 . 1 1 63 63 ASN CB C 63 38.100 38.100 37.523 0.577 19007 1426 1 3 . 1 1 63 63 ASN H H 63 10.390 10.390 8.651 1.739 19007 1427 1 3 . 1 1 64 64 ARG N N 64 121.850 121.850 120.900 0.950 19007 1428 1 3 . 1 1 64 64 ARG HA H 64 4.265 4.265 4.102 0.163 19007 1429 1 3 . 1 1 64 64 ARG C C 64 174.214 174.214 176.571 -2.357 19007 1430 1 3 . 1 1 64 64 ARG CA C 64 56.330 56.330 57.211 -0.880 19007 1431 1 3 . 1 1 64 64 ARG CB C 64 33.860 33.860 30.143 3.717 19007 1432 1 3 . 1 1 64 64 ARG H H 64 7.520 7.520 7.522 -0.002 19007 1433 1 3 . 1 1 65 65 PHE N N 65 127.760 127.760 117.773 9.987 19007 1434 1 3 . 1 1 65 65 PHE HA H 65 4.503 4.503 4.155 0.348 19007 1435 1 3 . 1 1 65 65 PHE C C 65 176.508 176.508 174.132 2.376 19007 1436 1 3 . 1 1 65 65 PHE CA C 65 56.760 56.760 58.163 -1.403 19007 1437 1 3 . 1 1 65 65 PHE CB C 65 40.430 40.430 38.080 2.350 19007 1438 1 3 . 1 1 65 65 PHE H H 65 8.580 8.580 7.732 0.848 19007 1439 1 3 . 1 1 66 66 LEU N N 66 125.260 125.260 127.550 -2.290 19007 1440 1 3 . 1 1 66 66 LEU HA H 66 4.288 4.288 4.326 -0.038 19007 1441 1 3 . 1 1 66 66 LEU C C 66 176.508 176.508 176.247 0.261 19007 1442 1 3 . 1 1 66 66 LEU CA C 66 53.080 53.080 52.469 0.611 19007 1443 1 3 . 1 1 66 66 LEU CB C 66 43.170 43.170 43.937 -0.767 19007 1444 1 3 . 1 1 66 66 LEU H H 66 8.040 8.040 7.531 0.509 19007 1445 1 3 . 1 1 67 67 TYR N N 67 120.480 120.480 123.222 -2.742 19007 1446 1 3 . 1 1 67 67 TYR HA H 67 4.515 4.515 4.308 0.207 19007 1447 1 3 . 1 1 67 67 TYR C C 67 177.791 177.791 176.690 1.101 19007 1448 1 3 . 1 1 67 67 TYR CA C 67 58.120 58.120 57.602 0.518 19007 1449 1 3 . 1 1 67 67 TYR CB C 67 39.320 39.320 35.997 3.323 19007 1450 1 3 . 1 1 67 67 TYR H H 67 7.880 7.880 8.659 -0.779 19007 1451 1 3 . 1 1 68 68 LYS N N 68 125.020 125.020 121.911 3.109 19007 1452 1 3 . 1 1 68 68 LYS HA H 68 4.034 4.034 3.864 0.170 19007 1453 1 3 . 1 1 68 68 LYS C C 68 178.364 178.364 178.236 0.128 19007 1454 1 3 . 1 1 68 68 LYS CA C 68 60.130 60.130 59.874 0.256 19007 1455 1 3 . 1 1 68 68 LYS CB C 68 32.150 32.150 32.351 -0.201 19007 1456 1 3 . 1 1 68 68 LYS H H 68 9.120 9.120 7.993 1.127 19007 1457 1 3 . 1 1 69 69 GLU N N 69 116.430 116.430 118.251 -1.821 19007 1458 1 3 . 1 1 69 69 GLU HA H 69 4.133 4.133 4.084 0.049 19007 1459 1 3 . 1 1 69 69 GLU C C 69 179.538 179.538 179.315 0.223 19007 1460 1 3 . 1 1 69 69 GLU CA C 69 60.030 60.030 59.620 0.410 19007 1461 1 3 . 1 1 69 69 GLU CB C 69 28.560 28.560 28.678 -0.118 19007 1462 1 3 . 1 1 69 69 GLU H H 69 9.460 9.460 8.527 0.933 19007 1463 1 3 . 1 1 70 70 GLN N N 70 117.670 117.670 118.613 -0.943 19007 1464 1 3 . 1 1 70 70 GLN HA H 70 4.120 4.120 4.108 0.012 19007 1465 1 3 . 1 1 70 70 GLN C C 70 177.955 177.955 178.838 -0.883 19007 1466 1 3 . 1 1 70 70 GLN CA C 70 57.950 57.950 58.598 -0.648 19007 1467 1 3 . 1 1 70 70 GLN CB C 70 29.290 29.290 28.585 0.705 19007 1468 1 3 . 1 1 70 70 GLN H H 70 7.000 7.000 8.281 -1.281 19007 1469 1 3 . 1 1 71 71 GLU N N 71 120.850 120.850 119.935 0.915 19007 1470 1 3 . 1 1 71 71 GLU HA H 71 3.668 3.668 4.086 -0.418 19007 1471 1 3 . 1 1 71 71 GLU C C 71 179.429 179.429 178.884 0.545 19007 1472 1 3 . 1 1 71 71 GLU CA C 71 60.620 60.620 59.116 1.504 19007 1473 1 3 . 1 1 71 71 GLU CB C 71 29.660 29.660 29.290 0.370 19007 1474 1 3 . 1 1 71 71 GLU H H 71 8.080 8.080 7.753 0.327 19007 1475 1 3 . 1 1 72 72 GLU N N 72 119.670 119.670 121.011 -1.341 19007 1476 1 3 . 1 1 72 72 GLU HA H 72 4.038 4.038 3.914 0.124 19007 1477 1 3 . 1 1 72 72 GLU C C 72 178.446 178.446 178.616 -0.170 19007 1478 1 3 . 1 1 72 72 GLU CA C 72 59.690 59.690 59.722 -0.032 19007 1479 1 3 . 1 1 72 72 GLU CB C 72 29.350 29.350 29.679 -0.329 19007 1480 1 3 . 1 1 72 72 GLU H H 72 8.390 8.390 8.412 -0.022 19007 1481 1 3 . 1 1 73 73 GLN N N 73 119.030 119.030 117.484 1.546 19007 1482 1 3 . 1 1 73 73 GLN HA H 73 4.110 4.110 4.039 0.071 19007 1483 1 3 . 1 1 73 73 GLN C C 73 179.320 179.320 177.868 1.452 19007 1484 1 3 . 1 1 73 73 GLN CA C 73 59.470 59.470 58.445 1.025 19007 1485 1 3 . 1 1 73 73 GLN CB C 73 29.480 29.480 28.069 1.411 19007 1486 1 3 . 1 1 73 73 GLN H H 73 7.730 7.730 8.373 -0.643 19007 1487 1 3 . 1 1 74 74 LEU N N 74 119.760 119.760 111.788 7.972 19007 1488 1 3 . 1 1 74 74 LEU HA H 74 3.918 3.918 4.535 -0.617 19007 1489 1 3 . 1 1 74 74 LEU C C 74 177.818 177.818 178.134 -0.316 19007 1490 1 3 . 1 1 74 74 LEU CA C 74 58.720 58.720 56.669 2.051 19007 1491 1 3 . 1 1 74 74 LEU CB C 74 42.890 42.890 41.568 1.322 19007 1492 1 3 . 1 1 74 74 LEU H H 74 8.290 8.290 7.395 0.895 19007 1493 1 3 . 1 1 75 75 THR N N 75 113.520 113.520 116.159 -2.639 19007 1494 1 3 . 1 1 75 75 THR HA H 75 3.680 3.680 4.164 -0.484 19007 1495 1 3 . 1 1 75 75 THR C C 75 176.480 176.480 175.993 0.487 19007 1496 1 3 . 1 1 75 75 THR CA C 75 66.990 66.990 66.352 0.638 19007 1497 1 3 . 1 1 75 75 THR CB C 75 68.640 68.640 68.402 0.238 19007 1498 1 3 . 1 1 75 75 THR H H 75 8.450 8.450 7.334 1.116 19007 1499 1 3 . 1 1 76 76 GLU N N 76 121.340 121.340 121.860 -0.520 19007 1500 1 3 . 1 1 76 76 GLU HA H 76 4.014 4.014 4.040 -0.026 19007 1501 1 3 . 1 1 76 76 GLU C C 76 178.965 178.965 178.342 0.623 19007 1502 1 3 . 1 1 76 76 GLU CA C 76 59.190 59.190 59.283 -0.093 19007 1503 1 3 . 1 1 76 76 GLU CB C 76 29.590 29.590 28.905 0.685 19007 1504 1 3 . 1 1 76 76 GLU H H 76 8.330 8.330 8.182 0.148 19007 1505 1 3 . 1 1 77 77 LEU N N 77 120.170 120.170 118.041 2.129 19007 1506 1 3 . 1 1 77 77 LEU HA H 77 3.955 3.955 4.078 -0.123 19007 1507 1 3 . 1 1 77 77 LEU C C 77 180.057 180.057 178.592 1.465 19007 1508 1 3 . 1 1 77 77 LEU CA C 77 58.510 58.510 57.877 0.633 19007 1509 1 3 . 1 1 77 77 LEU CB C 77 42.716 42.716 41.840 0.876 19007 1510 1 3 . 1 1 77 77 LEU H H 77 7.560 7.560 7.396 0.164 19007 1511 1 3 . 1 1 78 78 ILE N N 78 119.930 119.930 116.510 3.420 19007 1512 1 3 . 1 1 78 78 ILE HA H 78 3.429 3.429 3.858 -0.429 19007 1513 1 3 . 1 1 78 78 ILE C C 78 176.043 176.043 177.620 -1.577 19007 1514 1 3 . 1 1 78 78 ILE CA C 78 65.740 65.740 62.782 2.958 19007 1515 1 3 . 1 1 78 78 ILE CB C 78 37.960 37.960 38.279 -0.319 19007 1516 1 3 . 1 1 78 78 ILE H H 78 7.740 7.740 7.397 0.343 19007 1517 1 3 . 1 1 79 79 ALA N N 79 116.940 116.940 123.259 -6.319 19007 1518 1 3 . 1 1 79 79 ALA HA H 79 4.229 4.229 4.032 0.197 19007 1519 1 3 . 1 1 79 79 ALA C C 79 178.719 178.719 179.817 -1.098 19007 1520 1 3 . 1 1 79 79 ALA CA C 79 53.390 53.390 55.031 -1.641 19007 1521 1 3 . 1 1 79 79 ALA CB C 79 18.500 18.500 17.809 0.691 19007 1522 1 3 . 1 1 79 79 ALA H H 79 8.210 8.210 8.178 0.032 19007 1523 1 3 . 1 1 80 80 SER N N 80 113.260 113.260 114.724 -1.464 19007 1524 1 3 . 1 1 80 80 SER HA H 80 4.253 4.253 4.245 0.008 19007 1525 1 3 . 1 1 80 80 SER C C 80 174.869 174.869 175.013 -0.144 19007 1526 1 3 . 1 1 80 80 SER CA C 80 60.550 60.550 60.686 -0.136 19007 1527 1 3 . 1 1 80 80 SER CB C 80 63.130 63.130 63.496 -0.366 19007 1528 1 3 . 1 1 80 80 SER H H 80 7.600 7.600 7.902 -0.302 19007 1529 1 3 . 1 1 81 81 LYS N N 81 123.510 123.510 116.332 7.178 19007 1530 1 3 . 1 1 81 81 LYS HA H 81 4.527 4.527 4.554 -0.027 19007 1531 1 3 . 1 1 81 81 LYS C C 81 176.289 176.289 174.908 1.381 19007 1532 1 3 . 1 1 81 81 LYS CA C 81 54.000 54.000 55.396 -1.396 19007 1533 1 3 . 1 1 81 81 LYS CB C 81 30.440 30.440 32.025 -1.585 19007 1534 1 3 . 1 1 81 81 LYS H H 81 7.690 7.690 7.608 0.082 19007 1535 1 3 . 1 1 82 82 LYS N N 82 120.760 120.760 121.859 -1.099 19007 1536 1 3 . 1 1 82 82 LYS HA H 82 4.539 4.539 4.230 0.309 19007 1537 1 3 . 1 1 82 82 LYS C C 82 176.835 176.835 176.012 0.823 19007 1538 1 3 . 1 1 82 82 LYS CA C 82 59.090 59.090 56.610 2.480 19007 1539 1 3 . 1 1 82 82 LYS CB C 82 32.330 32.330 30.679 1.651 19007 1540 1 3 . 1 1 82 82 LYS H H 82 8.190 8.190 7.798 0.392 19007 1541 1 3 . 1 1 83 83 ASP N N 83 117.280 117.280 122.787 -5.507 19007 1542 1 3 . 1 1 83 83 ASP HA H 83 4.659 4.659 4.481 0.178 19007 1543 1 3 . 1 1 83 83 ASP C C 83 174.460 174.460 176.235 -1.775 19007 1544 1 3 . 1 1 83 83 ASP CA C 83 55.390 55.390 54.999 0.391 19007 1545 1 3 . 1 1 83 83 ASP CB C 83 40.680 40.680 41.271 -0.591 19007 1546 1 3 . 1 1 83 83 ASP H H 83 8.670 8.670 8.121 0.549 19007 1547 1 3 . 1 1 84 84 LEU N N 84 117.780 117.780 118.967 -1.187 19007 1548 1 3 . 1 1 84 84 LEU HA H 84 5.100 5.100 4.088 1.012 19007 1549 1 3 . 1 1 84 84 LEU C C 84 176.753 176.753 177.605 -0.852 19007 1550 1 3 . 1 1 84 84 LEU CA C 84 54.560 54.560 54.015 0.545 19007 1551 1 3 . 1 1 84 84 LEU CB C 84 43.690 43.690 41.717 1.973 19007 1552 1 3 . 1 1 84 84 LEU H H 84 7.640 7.640 7.587 0.053 19007 1553 1 3 . 1 1 85 85 PHE N N 85 117.610 117.610 120.795 -3.185 19007 1554 1 3 . 1 1 85 85 PHE HA H 85 4.754 4.754 4.575 0.179 19007 1555 1 3 . 1 1 85 85 PHE C C 85 173.204 173.204 174.898 -1.694 19007 1556 1 3 . 1 1 85 85 PHE CA C 85 56.400 56.400 57.450 -1.050 19007 1557 1 3 . 1 1 85 85 PHE CB C 85 42.000 42.000 37.182 4.818 19007 1558 1 3 . 1 1 85 85 PHE H H 85 8.280 8.280 8.229 0.051 19007 1559 1 3 . 1 1 86 86 VAL N N 86 123.600 123.600 121.712 1.888 19007 1560 1 3 . 1 1 86 86 VAL HA H 86 3.882 3.882 4.542 -0.660 19007 1561 1 3 . 1 1 86 86 VAL C C 86 174.651 174.651 174.918 -0.267 19007 1562 1 3 . 1 1 86 86 VAL CA C 86 63.640 63.640 61.300 2.340 19007 1563 1 3 . 1 1 86 86 VAL CB C 86 31.440 31.440 33.535 -2.095 19007 1564 1 3 . 1 1 86 86 VAL H H 86 8.880 8.880 7.837 1.043 19007 1565 1 3 . 1 1 87 87 HIS N N 87 130.690 130.690 126.391 4.299 19007 1566 1 3 . 1 1 87 87 HIS HA H 87 4.420 4.420 4.790 -0.370 19007 1567 1 3 . 1 1 87 87 HIS C C 87 175.497 175.497 173.563 1.934 19007 1568 1 3 . 1 1 87 87 HIS CA C 87 58.090 58.090 55.593 2.497 19007 1569 1 3 . 1 1 87 87 HIS CB C 87 32.870 32.870 31.625 1.245 19007 1570 1 3 . 1 1 87 87 HIS H H 87 9.320 9.320 8.896 0.424 19007 1571 1 3 . 1 1 88 88 SER N N 88 109.280 109.280 119.521 -10.241 19007 1572 1 3 . 1 1 88 88 SER HA H 88 4.503 4.503 5.137 -0.634 19007 1573 1 3 . 1 1 88 88 SER C C 88 172.248 172.248 173.654 -1.406 19007 1574 1 3 . 1 1 88 88 SER CA C 88 57.560 57.560 57.813 -0.253 19007 1575 1 3 . 1 1 88 88 SER CB C 88 64.890 64.890 64.266 0.624 19007 1576 1 3 . 1 1 88 88 SER H H 88 7.370 7.370 8.488 -1.118 19007 1577 1 3 . 1 1 89 89 ILE N N 89 122.260 122.260 126.402 -4.142 19007 1578 1 3 . 1 1 89 89 ILE HA H 89 4.265 4.265 4.609 -0.344 19007 1579 1 3 . 1 1 89 89 ILE C C 89 174.569 174.569 173.279 1.290 19007 1580 1 3 . 1 1 89 89 ILE CA C 89 61.110 61.110 59.483 1.627 19007 1581 1 3 . 1 1 89 89 ILE CB C 89 39.960 39.960 41.056 -1.096 19007 1582 1 3 . 1 1 89 89 ILE H H 89 8.400 8.400 8.937 -0.537 19007 1583 1 3 . 1 1 90 90 ASP N N 90 126.690 126.690 126.052 0.638 19007 1584 1 3 . 1 1 90 90 ASP HA H 90 5.064 5.064 5.288 -0.224 19007 1585 1 3 . 1 1 90 90 ASP C C 90 174.469 174.469 175.316 -0.847 19007 1586 1 3 . 1 1 90 90 ASP CA C 90 53.600 53.600 52.708 0.892 19007 1587 1 3 . 1 1 90 90 ASP CB C 90 44.230 44.230 42.868 1.362 19007 1588 1 3 . 1 1 90 90 ASP H H 90 8.800 8.800 8.730 0.070 19007 1589 1 3 . 1 1 91 91 SER N N 91 116.760 116.760 114.480 2.280 19007 1590 1 3 . 1 1 91 91 SER HA H 91 4.781 4.781 4.603 0.178 19007 1591 1 3 . 1 1 91 91 SER C C 91 173.164 173.164 173.876 -0.712 19007 1592 1 3 . 1 1 91 91 SER CA C 91 57.430 57.430 57.478 -0.048 19007 1593 1 3 . 1 1 91 91 SER CB C 91 65.250 65.250 63.551 1.699 19007 1594 1 3 . 1 1 91 91 SER H H 91 8.500 8.500 8.366 0.134 19007 1595 1 3 . 1 1 92 92 GLU N N 92 123.420 123.420 123.970 -0.550 19007 1596 1 3 . 1 1 92 92 GLU HA H 92 4.355 4.355 4.338 0.017 19007 1597 1 3 . 1 1 92 92 GLU C C 92 176.419 176.419 175.720 0.699 19007 1598 1 3 . 1 1 92 92 GLU CA C 92 56.250 56.250 55.935 0.315 19007 1599 1 3 . 1 1 92 92 GLU CB C 92 30.730 30.730 28.371 2.359 19007 1600 1 3 . 1 1 92 92 GLU H H 92 8.620 8.620 8.246 0.374 19007 1601 1 3 . 1 1 93 93 VAL N N 93 122.090 122.090 124.019 -1.929 19007 1602 1 3 . 1 1 93 93 VAL HA H 93 4.105 4.105 3.902 0.203 19007 1603 1 3 . 1 1 93 93 VAL CA C 93 62.240 62.240 63.871 -1.631 19007 1604 1 3 . 1 1 93 93 VAL CB C 93 32.860 32.860 32.586 0.274 19007 1605 1 3 . 1 1 93 93 VAL H H 93 8.220 8.220 8.190 0.030 19007 1606 1 3 . 1 1 96 96 LYS HA H 96 4.079 4.079 4.498 -0.419 19007 1607 1 3 . 1 1 96 96 LYS C C 96 176.053 176.053 176.161 -0.108 19007 1608 1 3 . 1 1 96 96 LYS CA C 96 62.497 62.497 55.130 7.367 19007 1609 1 3 . 1 1 96 96 LYS CB C 96 32.776 32.776 33.382 -0.606 19007 1610 1 3 . 1 1 97 97 LYS N N 97 126.170 126.170 121.387 4.783 19007 1611 1 3 . 1 1 97 97 LYS HA H 97 4.300 4.300 4.389 -0.089 19007 1612 1 3 . 1 1 97 97 LYS C C 97 176.665 176.665 177.534 -0.869 19007 1613 1 3 . 1 1 97 97 LYS CA C 97 56.730 56.730 56.582 0.148 19007 1614 1 3 . 1 1 97 97 LYS CB C 97 33.020 33.020 33.402 -0.382 19007 1615 1 3 . 1 1 97 97 LYS H H 97 8.500 8.500 8.427 0.073 19007 1616 1 3 . 1 1 98 98 GLU N N 98 122.020 122.020 125.787 -3.767 19007 1617 1 3 . 1 1 98 98 GLU HA H 98 4.226 4.226 4.431 -0.205 19007 1618 1 3 . 1 1 98 98 GLU C C 98 176.382 176.382 176.103 0.279 19007 1619 1 3 . 1 1 98 98 GLU CA C 98 56.890 56.890 55.438 1.452 19007 1620 1 3 . 1 1 98 98 GLU CB C 98 30.410 30.410 27.175 3.235 19007 1621 1 3 . 1 1 98 98 GLU H H 98 8.470 8.470 8.927 -0.457 19007 1622 1 3 . 1 1 99 99 ALA N N 99 124.770 124.770 124.507 0.263 19007 1623 1 3 . 1 1 99 99 ALA HA H 99 4.281 4.281 4.349 -0.068 19007 1624 1 3 . 1 1 99 99 ALA C C 99 177.723 177.723 176.477 1.246 19007 1625 1 3 . 1 1 99 99 ALA CA C 99 52.880 52.880 51.783 1.097 19007 1626 1 3 . 1 1 99 99 ALA CB C 99 19.320 19.320 17.782 1.538 19007 1627 1 3 . 1 1 99 99 ALA H H 99 8.310 8.310 7.933 0.377 19007 1628 1 3 . 1 1 100 100 GLN N N 100 119.190 119.190 120.667 -1.477 19007 1629 1 3 . 1 1 100 100 GLN HA H 100 4.266 4.266 4.505 -0.239 19007 1630 1 3 . 1 1 100 100 GLN CA C 100 56.000 56.000 55.075 0.925 19007 1631 1 3 . 1 1 100 100 GLN CB C 100 29.970 29.970 30.654 -0.684 19007 1632 1 3 . 1 1 100 100 GLN H H 100 8.280 8.280 7.883 0.397 19007 1633 1 3 . 1 1 101 101 GLN N N 101 120.421 120.421 126.962 -6.541 19007 1634 1 3 . 1 1 101 101 GLN HA H 101 4.650 4.650 4.345 0.305 19007 1635 1 3 . 1 1 101 101 GLN C C 101 175.725 175.725 174.787 0.938 19007 1636 1 3 . 1 1 101 101 GLN CA C 101 56.073 56.073 55.895 0.178 19007 1637 1 3 . 1 1 101 101 GLN CB C 101 29.524 29.524 27.546 1.978 19007 1638 1 3 . 1 1 101 101 GLN H H 101 8.114 8.114 8.695 -0.581 19007 1639 1 3 . 1 1 102 102 ILE N N 102 122.940 122.940 124.615 -1.675 19007 1640 1 3 . 1 1 102 102 ILE HA H 102 4.119 4.119 4.517 -0.398 19007 1641 1 3 . 1 1 102 102 ILE C C 102 175.916 175.916 174.667 1.249 19007 1642 1 3 . 1 1 102 102 ILE CA C 102 61.260 61.260 61.108 0.152 19007 1643 1 3 . 1 1 102 102 ILE CB C 102 38.790 38.790 40.446 -1.656 19007 1644 1 3 . 1 1 102 102 ILE H H 102 8.240 8.240 8.013 0.227 19007 1645 1 3 . 1 1 103 103 ARG N N 103 125.780 125.780 128.294 -2.514 19007 1646 1 3 . 1 1 103 103 ARG HA H 103 4.369 4.369 4.455 -0.086 19007 1647 1 3 . 1 1 103 103 ARG C C 103 175.752 175.752 175.330 0.422 19007 1648 1 3 . 1 1 103 103 ARG CA C 103 55.940 55.940 56.058 -0.118 19007 1649 1 3 . 1 1 103 103 ARG CB C 103 31.340 31.340 31.587 -0.247 19007 1650 1 3 . 1 1 103 103 ARG H H 103 8.400 8.400 8.464 -0.064 19007 1651 1 3 . 1 1 104 104 GLU N N 104 123.840 123.840 123.231 0.609 19007 1652 1 3 . 1 1 104 104 GLU HA H 104 4.296 4.296 4.381 -0.085 19007 1653 1 3 . 1 1 104 104 GLU C C 104 175.314 175.314 175.797 -0.483 19007 1654 1 3 . 1 1 104 104 GLU CA C 104 56.430 56.430 56.454 -0.024 19007 1655 1 3 . 1 1 104 104 GLU CB C 104 30.560 30.560 29.889 0.671 19007 1656 1 3 . 1 1 104 104 GLU H H 104 8.510 8.510 8.586 -0.076 19007 1657 1 4 . 1 1 6 6 THR HA H 6 4.321 4.321 4.540 -0.219 19007 1658 1 4 . 1 1 6 6 THR C C 6 174.339 174.339 173.442 0.897 19007 1659 1 4 . 1 1 6 6 THR CA C 6 62.139 62.139 60.887 1.252 19007 1660 1 4 . 1 1 6 6 THR CB C 6 69.788 69.788 70.290 -0.502 19007 1661 1 4 . 1 1 7 7 LYS N N 7 124.350 124.350 120.806 3.544 19007 1662 1 4 . 1 1 7 7 LYS HA H 7 4.265 4.265 4.281 -0.016 19007 1663 1 4 . 1 1 7 7 LYS C C 7 176.341 176.341 175.678 0.663 19007 1664 1 4 . 1 1 7 7 LYS CA C 7 56.980 56.980 56.554 0.426 19007 1665 1 4 . 1 1 7 7 LYS CB C 7 33.110 33.110 33.054 0.056 19007 1666 1 4 . 1 1 7 7 LYS H H 7 8.320 8.320 8.279 0.041 19007 1667 1 4 . 1 1 8 8 LYS N N 8 123.170 123.170 121.047 2.123 19007 1668 1 4 . 1 1 8 8 LYS HA H 8 4.253 4.253 4.462 -0.209 19007 1669 1 4 . 1 1 8 8 LYS C C 8 176.083 176.083 175.877 0.206 19007 1670 1 4 . 1 1 8 8 LYS CA C 8 56.450 56.450 55.152 1.298 19007 1671 1 4 . 1 1 8 8 LYS CB C 8 33.480 33.480 34.705 -1.225 19007 1672 1 4 . 1 1 8 8 LYS H H 8 8.340 8.340 8.347 -0.007 19007 1673 1 4 . 1 1 9 9 GLN N N 9 123.010 123.010 119.750 3.260 19007 1674 1 4 . 1 1 9 9 GLN HA H 9 4.289 4.289 4.250 0.039 19007 1675 1 4 . 1 1 9 9 GLN C C 9 174.914 174.914 175.851 -0.937 19007 1676 1 4 . 1 1 9 9 GLN CA C 9 56.520 56.520 58.183 -1.663 19007 1677 1 4 . 1 1 9 9 GLN CB C 9 30.790 30.790 28.696 2.094 19007 1678 1 4 . 1 1 9 9 GLN H H 9 8.440 8.440 8.790 -0.350 19007 1679 1 4 . 1 1 10 10 GLN N N 10 121.180 121.180 118.689 2.491 19007 1680 1 4 . 1 1 10 10 GLN HA H 10 4.769 4.769 4.327 0.442 19007 1681 1 4 . 1 1 10 10 GLN C C 10 175.865 175.865 174.064 1.801 19007 1682 1 4 . 1 1 10 10 GLN CA C 10 55.580 55.580 54.873 0.707 19007 1683 1 4 . 1 1 10 10 GLN CB C 10 29.630 29.630 30.364 -0.734 19007 1684 1 4 . 1 1 10 10 GLN H H 10 8.170 8.170 8.362 -0.192 19007 1685 1 4 . 1 1 11 11 TYR N N 11 120.110 120.110 114.995 5.115 19007 1686 1 4 . 1 1 11 11 TYR HA H 11 4.769 4.769 4.768 0.001 19007 1687 1 4 . 1 1 11 11 TYR C C 11 174.319 174.319 173.197 1.122 19007 1688 1 4 . 1 1 11 11 TYR CA C 11 58.490 58.490 56.429 2.061 19007 1689 1 4 . 1 1 11 11 TYR CB C 11 39.350 39.350 39.352 -0.002 19007 1690 1 4 . 1 1 11 11 TYR H H 11 8.470 8.470 7.987 0.483 19007 1691 1 4 . 1 1 12 12 VAL N N 12 117.030 117.030 121.344 -4.314 19007 1692 1 4 . 1 1 12 12 VAL HA H 12 4.793 4.793 5.073 -0.280 19007 1693 1 4 . 1 1 12 12 VAL C C 12 174.636 174.636 175.121 -0.485 19007 1694 1 4 . 1 1 12 12 VAL CA C 12 60.730 60.730 60.857 -0.127 19007 1695 1 4 . 1 1 12 12 VAL CB C 12 34.790 34.790 34.932 -0.142 19007 1696 1 4 . 1 1 12 12 VAL H H 12 7.590 7.590 8.299 -0.709 19007 1697 1 4 . 1 1 13 13 THR N N 13 121.770 121.770 122.840 -1.070 19007 1698 1 4 . 1 1 13 13 THR HA H 13 4.615 4.615 4.788 -0.173 19007 1699 1 4 . 1 1 13 13 THR C C 13 173.030 173.030 172.751 0.279 19007 1700 1 4 . 1 1 13 13 THR CA C 13 61.540 61.540 61.162 0.378 19007 1701 1 4 . 1 1 13 13 THR CB C 13 71.050 71.050 71.165 -0.115 19007 1702 1 4 . 1 1 13 13 THR H H 13 8.620 8.620 8.442 0.178 19007 1703 1 4 . 1 1 14 14 ILE N N 14 126.190 126.190 127.619 -1.429 19007 1704 1 4 . 1 1 14 14 ILE HA H 14 4.781 4.781 4.342 0.439 19007 1705 1 4 . 1 1 14 14 ILE C C 14 175.112 175.112 174.306 0.806 19007 1706 1 4 . 1 1 14 14 ILE CA C 14 61.120 61.120 60.644 0.476 19007 1707 1 4 . 1 1 14 14 ILE CB C 14 40.340 40.340 39.231 1.109 19007 1708 1 4 . 1 1 14 14 ILE H H 14 8.890 8.890 8.622 0.268 19007 1709 1 4 . 1 1 15 15 LYS N N 15 127.020 127.020 127.318 -0.298 19007 1710 1 4 . 1 1 15 15 LYS HA H 15 4.734 4.734 4.604 0.130 19007 1711 1 4 . 1 1 15 15 LYS C C 15 175.409 175.409 175.736 -0.327 19007 1712 1 4 . 1 1 15 15 LYS CA C 15 54.740 54.740 55.434 -0.695 19007 1713 1 4 . 1 1 15 15 LYS CB C 15 35.430 35.430 32.773 2.657 19007 1714 1 4 . 1 1 15 15 LYS H H 15 8.850 8.850 8.843 0.007 19007 1715 1 4 . 1 1 16 16 GLY N N 16 112.120 112.120 112.673 -0.553 19007 1716 1 4 . 1 1 16 16 GLY C C 16 172.566 172.566 173.109 -0.543 19007 1717 1 4 . 1 1 16 16 GLY CA C 16 45.560 45.560 45.409 0.151 19007 1718 1 4 . 1 1 16 16 GLY H H 16 8.870 8.870 8.388 0.482 19007 1719 1 4 . 1 1 17 17 THR N N 17 114.520 114.520 113.446 1.074 19007 1720 1 4 . 1 1 17 17 THR HA H 17 4.753 4.753 4.403 0.350 19007 1721 1 4 . 1 1 17 17 THR CA C 17 60.360 60.360 60.814 -0.454 19007 1722 1 4 . 1 1 17 17 THR CB C 17 72.040 72.040 69.491 2.549 19007 1723 1 4 . 1 1 17 17 THR H H 17 8.380 8.380 7.616 0.764 19007 1724 1 4 . 1 1 19 19 ASN HA H 19 4.778 4.778 4.937 -0.159 19007 1725 1 4 . 1 1 19 19 ASN C C 19 174.616 174.616 174.745 -0.129 19007 1726 1 4 . 1 1 19 19 ASN CA C 19 53.700 53.700 52.741 0.959 19007 1727 1 4 . 1 1 19 19 ASN CB C 19 39.018 39.018 41.284 -2.266 19007 1728 1 4 . 1 1 20 20 GLY N N 20 108.600 108.600 109.362 -0.762 19007 1729 1 4 . 1 1 20 20 GLY C C 20 172.297 172.297 174.035 -1.738 19007 1730 1 4 . 1 1 20 20 GLY CA C 20 46.310 46.310 45.371 0.939 19007 1731 1 4 . 1 1 20 20 GLY H H 20 7.590 7.590 8.484 -0.894 19007 1732 1 4 . 1 1 21 21 LEU N N 21 123.210 123.210 122.341 0.869 19007 1733 1 4 . 1 1 21 21 LEU HA H 21 5.015 5.015 4.732 0.283 19007 1734 1 4 . 1 1 21 21 LEU C C 21 176.202 176.202 174.670 1.532 19007 1735 1 4 . 1 1 21 21 LEU CA C 21 54.090 54.090 55.541 -1.451 19007 1736 1 4 . 1 1 21 21 LEU CB C 21 45.940 45.940 44.179 1.761 19007 1737 1 4 . 1 1 21 21 LEU H H 21 8.760 8.760 8.168 0.592 19007 1738 1 4 . 1 1 22 22 THR N N 22 120.430 120.430 123.213 -2.783 19007 1739 1 4 . 1 1 22 22 THR HA H 22 5.191 5.191 4.847 0.344 19007 1740 1 4 . 1 1 22 22 THR C C 22 172.852 172.852 173.437 -0.585 19007 1741 1 4 . 1 1 22 22 THR CA C 22 61.850 61.850 61.720 0.130 19007 1742 1 4 . 1 1 22 22 THR CB C 22 69.800 69.800 68.614 1.186 19007 1743 1 4 . 1 1 22 22 THR H H 22 9.150 9.150 8.950 0.200 19007 1744 1 4 . 1 1 23 23 LEU N N 23 127.110 127.110 122.908 4.202 19007 1745 1 4 . 1 1 23 23 LEU HA H 23 4.910 4.910 5.585 -0.675 19007 1746 1 4 . 1 1 23 23 LEU C C 23 174.200 174.200 174.685 -0.485 19007 1747 1 4 . 1 1 23 23 LEU CA C 23 52.770 52.770 52.904 -0.134 19007 1748 1 4 . 1 1 23 23 LEU CB C 23 44.220 44.220 45.907 -1.687 19007 1749 1 4 . 1 1 23 23 LEU H H 23 8.870 8.870 8.160 0.710 19007 1750 1 4 . 1 1 24 24 HIS N N 24 124.600 124.600 121.321 3.279 19007 1751 1 4 . 1 1 24 24 HIS HA H 24 4.875 4.875 5.540 -0.665 19007 1752 1 4 . 1 1 24 24 HIS C C 24 174.033 174.033 172.867 1.166 19007 1753 1 4 . 1 1 24 24 HIS CA C 24 56.000 56.000 54.836 1.164 19007 1754 1 4 . 1 1 24 24 HIS CB C 24 30.400 30.400 33.904 -3.504 19007 1755 1 4 . 1 1 24 24 HIS H H 24 9.160 9.160 9.073 0.087 19007 1756 1 4 . 1 1 25 25 LEU N N 25 125.950 125.950 128.709 -2.759 19007 1757 1 4 . 1 1 25 25 LEU HA H 25 4.382 4.382 4.576 -0.194 19007 1758 1 4 . 1 1 25 25 LEU C C 25 175.806 175.806 173.769 2.037 19007 1759 1 4 . 1 1 25 25 LEU CA C 25 53.250 53.250 53.742 -0.492 19007 1760 1 4 . 1 1 25 25 LEU CB C 25 41.030 41.030 45.778 -4.748 19007 1761 1 4 . 1 1 25 25 LEU H H 25 8.420 8.420 8.460 -0.040 19007 1762 1 4 . 1 1 26 26 ASP N N 26 126.170 126.170 127.258 -1.088 19007 1763 1 4 . 1 1 26 26 ASP HA H 26 4.344 4.344 5.006 -0.662 19007 1764 1 4 . 1 1 26 26 ASP C C 26 176.302 176.302 174.471 1.831 19007 1765 1 4 . 1 1 26 26 ASP CA C 26 56.480 56.480 53.377 3.103 19007 1766 1 4 . 1 1 26 26 ASP CB C 26 43.880 43.880 41.298 2.582 19007 1767 1 4 . 1 1 26 26 ASP H H 26 8.630 8.630 7.824 0.806 19007 1768 1 4 . 1 1 27 27 ASP N N 27 122.430 122.430 121.985 0.445 19007 1769 1 4 . 1 1 27 27 ASP HA H 27 4.540 4.540 4.762 -0.222 19007 1770 1 4 . 1 1 27 27 ASP C C 27 176.381 176.381 174.060 2.321 19007 1771 1 4 . 1 1 27 27 ASP CA C 27 54.060 54.060 53.387 0.673 19007 1772 1 4 . 1 1 27 27 ASP CB C 27 40.820 40.820 44.542 -3.722 19007 1773 1 4 . 1 1 27 27 ASP H H 27 8.150 8.150 7.579 0.571 19007 1774 1 4 . 1 1 28 28 ALA N N 28 123.520 123.520 125.652 -2.132 19007 1775 1 4 . 1 1 28 28 ALA HA H 28 4.600 4.600 5.113 -0.513 19007 1776 1 4 . 1 1 28 28 ALA C C 28 178.324 178.324 177.416 0.908 19007 1777 1 4 . 1 1 28 28 ALA CA C 28 52.860 52.860 50.872 1.988 19007 1778 1 4 . 1 1 28 28 ALA CB C 28 20.790 20.790 20.397 0.393 19007 1779 1 4 . 1 1 28 28 ALA H H 28 8.480 8.480 8.225 0.255 19007 1780 1 4 . 1 1 29 29 CYS N N 29 115.580 115.580 118.873 -3.293 19007 1781 1 4 . 1 1 29 29 CYS HA H 29 4.680 4.680 4.151 0.529 19007 1782 1 4 . 1 1 29 29 CYS C C 29 174.696 174.696 174.460 0.236 19007 1783 1 4 . 1 1 29 29 CYS CA C 29 56.060 56.060 60.050 -3.990 19007 1784 1 4 . 1 1 29 29 CYS CB C 29 29.050 29.050 26.142 2.908 19007 1785 1 4 . 1 1 29 29 CYS H H 29 7.510 7.510 8.910 -1.400 19007 1786 1 4 . 1 1 30 30 SER N N 30 119.090 119.090 113.841 5.249 19007 1787 1 4 . 1 1 30 30 SER HA H 30 4.500 4.500 4.567 -0.067 19007 1788 1 4 . 1 1 30 30 SER CA C 30 58.370 58.370 56.809 1.561 19007 1789 1 4 . 1 1 30 30 SER CB C 30 64.170 64.170 64.970 -0.800 19007 1790 1 4 . 1 1 30 30 SER H H 30 9.170 9.170 7.698 1.472 19007 1791 1 4 . 1 1 31 31 PHE HA H 31 4.041 4.041 4.664 -0.623 19007 1792 1 4 . 1 1 31 31 PHE C C 31 176.440 176.440 175.550 0.890 19007 1793 1 4 . 1 1 31 31 PHE CA C 31 62.491 62.491 57.993 4.497 19007 1794 1 4 . 1 1 31 31 PHE CB C 31 39.018 39.018 39.824 -0.805 19007 1795 1 4 . 1 1 32 32 ASP N N 32 116.020 116.020 119.445 -3.425 19007 1796 1 4 . 1 1 32 32 ASP HA H 32 4.139 4.139 4.585 -0.446 19007 1797 1 4 . 1 1 32 32 ASP C C 32 178.978 178.978 176.944 2.034 19007 1798 1 4 . 1 1 32 32 ASP CA C 32 57.670 57.670 53.500 4.170 19007 1799 1 4 . 1 1 32 32 ASP CB C 32 40.290 40.290 39.958 0.332 19007 1800 1 4 . 1 1 32 32 ASP H H 32 8.370 8.370 8.619 -0.249 19007 1801 1 4 . 1 1 33 33 GLU N N 33 120.170 120.170 121.384 -1.214 19007 1802 1 4 . 1 1 33 33 GLU HA H 33 4.149 4.149 3.998 0.151 19007 1803 1 4 . 1 1 33 33 GLU C C 33 179.256 179.256 178.058 1.198 19007 1804 1 4 . 1 1 33 33 GLU CA C 33 58.810 58.810 59.400 -0.590 19007 1805 1 4 . 1 1 33 33 GLU CB C 33 29.510 29.510 29.189 0.321 19007 1806 1 4 . 1 1 33 33 GLU H H 33 7.560 7.560 8.887 -1.327 19007 1807 1 4 . 1 1 34 34 LEU N N 34 121.930 121.930 120.469 1.461 19007 1808 1 4 . 1 1 34 34 LEU HA H 34 3.755 3.755 4.305 -0.550 19007 1809 1 4 . 1 1 34 34 LEU C C 34 178.205 178.205 179.403 -1.198 19007 1810 1 4 . 1 1 34 34 LEU CA C 34 57.910 57.910 57.035 0.875 19007 1811 1 4 . 1 1 34 34 LEU CB C 34 41.980 41.980 40.789 1.190 19007 1812 1 4 . 1 1 34 34 LEU H H 34 7.730 7.730 8.376 -0.645 19007 1813 1 4 . 1 1 35 35 LEU N N 35 118.190 118.190 121.006 -2.816 19007 1814 1 4 . 1 1 35 35 LEU HA H 35 3.575 3.575 4.002 -0.427 19007 1815 1 4 . 1 1 35 35 LEU C C 35 179.295 179.295 178.803 0.492 19007 1816 1 4 . 1 1 35 35 LEU CA C 35 57.990 57.990 58.109 -0.119 19007 1817 1 4 . 1 1 35 35 LEU CB C 35 40.900 40.900 41.513 -0.613 19007 1818 1 4 . 1 1 35 35 LEU H H 35 7.880 7.880 7.759 0.121 19007 1819 1 4 . 1 1 36 36 ASP N N 36 118.760 118.760 118.628 0.132 19007 1820 1 4 . 1 1 36 36 ASP HA H 36 4.308 4.308 4.385 -0.077 19007 1821 1 4 . 1 1 36 36 ASP C C 36 178.819 178.819 178.776 0.043 19007 1822 1 4 . 1 1 36 36 ASP CA C 36 57.570 57.570 57.596 -0.026 19007 1823 1 4 . 1 1 36 36 ASP CB C 36 41.500 41.500 40.435 1.065 19007 1824 1 4 . 1 1 36 36 ASP H H 36 7.580 7.580 8.588 -1.008 19007 1825 1 4 . 1 1 37 37 GLY N N 37 107.520 107.520 107.879 -0.359 19007 1826 1 4 . 1 1 37 37 GLY C C 37 176.678 176.678 176.017 0.661 19007 1827 1 4 . 1 1 37 37 GLY CA C 37 47.340 47.340 46.982 0.358 19007 1828 1 4 . 1 1 37 37 GLY H H 37 8.210 8.210 7.929 0.281 19007 1829 1 4 . 1 1 38 38 LEU N N 38 123.680 123.680 121.328 2.352 19007 1830 1 4 . 1 1 38 38 LEU HA H 38 4.007 4.007 4.391 -0.384 19007 1831 1 4 . 1 1 38 38 LEU C C 38 177.769 177.769 178.909 -1.140 19007 1832 1 4 . 1 1 38 38 LEU CA C 38 57.970 57.970 56.946 1.024 19007 1833 1 4 . 1 1 38 38 LEU CB C 38 42.250 42.250 42.009 0.241 19007 1834 1 4 . 1 1 38 38 LEU H H 38 8.800 8.800 7.556 1.244 19007 1835 1 4 . 1 1 39 39 GLN N N 39 118.840 118.840 119.294 -0.454 19007 1836 1 4 . 1 1 39 39 GLN HA H 39 3.887 3.887 4.005 -0.118 19007 1837 1 4 . 1 1 39 39 GLN C C 39 178.443 178.443 178.678 -0.235 19007 1838 1 4 . 1 1 39 39 GLN CA C 39 59.450 59.450 58.809 0.641 19007 1839 1 4 . 1 1 39 39 GLN CB C 39 28.400 28.400 28.138 0.262 19007 1840 1 4 . 1 1 39 39 GLN H H 39 8.460 8.460 8.421 0.039 19007 1841 1 4 . 1 1 40 40 ASN N N 40 116.110 116.110 117.833 -1.723 19007 1842 1 4 . 1 1 40 40 ASN HA H 40 4.488 4.488 4.565 -0.077 19007 1843 1 4 . 1 1 40 40 ASN C C 40 177.491 177.491 175.770 1.721 19007 1844 1 4 . 1 1 40 40 ASN CA C 40 56.330 56.330 55.303 1.027 19007 1845 1 4 . 1 1 40 40 ASN CB C 40 39.230 39.230 38.933 0.297 19007 1846 1 4 . 1 1 40 40 ASN H H 40 7.810 7.810 8.524 -0.714 19007 1847 1 4 . 1 1 41 41 MET N N 41 119.840 119.840 118.828 1.012 19007 1848 1 4 . 1 1 41 41 MET HA H 41 4.344 4.344 4.492 -0.148 19007 1849 1 4 . 1 1 41 41 MET C C 41 177.551 177.551 176.761 0.790 19007 1850 1 4 . 1 1 41 41 MET CA C 41 58.140 58.140 58.209 -0.069 19007 1851 1 4 . 1 1 41 41 MET CB C 41 32.600 32.600 33.974 -1.374 19007 1852 1 4 . 1 1 41 41 MET H H 41 8.060 8.060 7.533 0.527 19007 1853 1 4 . 1 1 42 42 LEU N N 42 116.680 116.680 120.918 -4.238 19007 1854 1 4 . 1 1 42 42 LEU HA H 42 4.236 4.236 3.924 0.312 19007 1855 1 4 . 1 1 42 42 LEU C C 42 177.055 177.055 178.742 -1.687 19007 1856 1 4 . 1 1 42 42 LEU CA C 42 55.850 55.850 58.189 -2.339 19007 1857 1 4 . 1 1 42 42 LEU CB C 42 41.490 41.490 41.509 -0.019 19007 1858 1 4 . 1 1 42 42 LEU H H 42 8.280 8.280 8.940 -0.660 19007 1859 1 4 . 1 1 43 43 SER N N 43 113.420 113.420 113.437 -0.017 19007 1860 1 4 . 1 1 43 43 SER HA H 43 4.452 4.452 4.281 0.171 19007 1861 1 4 . 1 1 43 43 SER C C 43 174.755 174.755 175.193 -0.438 19007 1862 1 4 . 1 1 43 43 SER CA C 43 59.340 59.340 60.723 -1.383 19007 1863 1 4 . 1 1 43 43 SER CB C 43 63.580 63.580 62.824 0.756 19007 1864 1 4 . 1 1 43 43 SER H H 43 7.650 7.650 7.703 -0.053 19007 1865 1 4 . 1 1 44 44 ILE N N 44 120.390 120.390 119.001 1.389 19007 1866 1 4 . 1 1 44 44 ILE HA H 44 4.188 4.188 3.906 0.282 19007 1867 1 4 . 1 1 44 44 ILE C C 44 176.440 176.440 177.104 -0.664 19007 1868 1 4 . 1 1 44 44 ILE CA C 44 61.500 61.500 61.975 -0.475 19007 1869 1 4 . 1 1 44 44 ILE CB C 44 38.640 38.640 38.947 -0.307 19007 1870 1 4 . 1 1 44 44 ILE H H 44 7.590 7.590 7.691 -0.101 19007 1871 1 4 . 1 1 45 45 GLU N N 45 118.850 118.850 119.317 -0.467 19007 1872 1 4 . 1 1 45 45 GLU HA H 45 4.272 4.272 4.201 0.071 19007 1873 1 4 . 1 1 45 45 GLU C C 45 176.698 176.698 177.341 -0.643 19007 1874 1 4 . 1 1 45 45 GLU CA C 45 61.950 61.950 58.349 3.601 19007 1875 1 4 . 1 1 45 45 GLU CB C 45 29.840 29.840 30.440 -0.600 19007 1876 1 4 . 1 1 45 45 GLU H H 45 8.200 8.200 8.104 0.096 19007 1877 1 4 . 1 1 46 46 GLN N N 46 118.260 118.260 118.600 -0.340 19007 1878 1 4 . 1 1 46 46 GLN HA H 46 4.212 4.212 4.602 -0.390 19007 1879 1 4 . 1 1 46 46 GLN C C 46 176.361 176.361 174.287 2.074 19007 1880 1 4 . 1 1 46 46 GLN CA C 46 56.770 56.770 55.287 1.483 19007 1881 1 4 . 1 1 46 46 GLN CB C 46 28.920 28.920 29.664 -0.744 19007 1882 1 4 . 1 1 46 46 GLN H H 46 8.270 8.270 7.871 0.399 19007 1883 1 4 . 1 1 47 47 TYR N N 47 117.690 117.690 120.148 -2.458 19007 1884 1 4 . 1 1 47 47 TYR HA H 47 4.701 4.701 5.183 -0.482 19007 1885 1 4 . 1 1 47 47 TYR C C 47 175.588 175.588 174.409 1.179 19007 1886 1 4 . 1 1 47 47 TYR CA C 47 58.290 58.290 56.132 2.158 19007 1887 1 4 . 1 1 47 47 TYR CB C 47 39.250 39.250 38.715 0.535 19007 1888 1 4 . 1 1 47 47 TYR H H 47 7.980 7.980 8.320 -0.340 19007 1889 1 4 . 1 1 48 48 THR N N 48 108.930 108.930 116.126 -7.196 19007 1890 1 4 . 1 1 48 48 THR HA H 48 4.464 4.464 4.223 0.241 19007 1891 1 4 . 1 1 48 48 THR C C 48 176.381 176.381 173.823 2.558 19007 1892 1 4 . 1 1 48 48 THR CA C 48 61.150 61.150 60.840 0.310 19007 1893 1 4 . 1 1 48 48 THR CB C 48 70.190 70.190 68.798 1.392 19007 1894 1 4 . 1 1 48 48 THR H H 48 7.570 7.570 7.601 -0.031 19007 1895 1 4 . 1 1 49 49 ASP N N 49 121.350 121.350 125.131 -3.781 19007 1896 1 4 . 1 1 49 49 ASP HA H 49 4.752 4.752 4.766 -0.014 19007 1897 1 4 . 1 1 49 49 ASP C C 49 177.015 177.015 177.060 -0.045 19007 1898 1 4 . 1 1 49 49 ASP CA C 49 53.710 53.710 52.312 1.398 19007 1899 1 4 . 1 1 49 49 ASP CB C 49 41.200 41.200 43.718 -2.518 19007 1900 1 4 . 1 1 49 49 ASP H H 49 8.100 8.100 7.883 0.217 19007 1901 1 4 . 1 1 50 50 GLY N N 50 112.360 112.360 107.909 4.451 19007 1902 1 4 . 1 1 50 50 GLY C C 50 175.449 175.449 174.325 1.124 19007 1903 1 4 . 1 1 50 50 GLY CA C 50 46.000 46.000 45.288 0.712 19007 1904 1 4 . 1 1 50 50 GLY H H 50 9.080 9.080 8.765 0.315 19007 1905 1 4 . 1 1 51 51 LYS N N 51 119.510 119.510 117.603 1.907 19007 1906 1 4 . 1 1 51 51 LYS HA H 51 4.200 4.200 4.014 0.186 19007 1907 1 4 . 1 1 51 51 LYS C C 51 177.214 177.214 176.017 1.197 19007 1908 1 4 . 1 1 51 51 LYS CA C 51 56.540 56.540 57.426 -0.886 19007 1909 1 4 . 1 1 51 51 LYS CB C 51 31.420 31.420 30.744 0.676 19007 1910 1 4 . 1 1 51 51 LYS H H 51 8.590 8.590 8.240 0.350 19007 1911 1 4 . 1 1 52 52 GLY N N 52 108.180 108.180 104.799 3.381 19007 1912 1 4 . 1 1 52 52 GLY C C 52 174.279 174.279 173.744 0.535 19007 1913 1 4 . 1 1 52 52 GLY CA C 52 45.450 45.450 45.178 0.272 19007 1914 1 4 . 1 1 52 52 GLY H H 52 8.670 8.670 8.046 0.624 19007 1915 1 4 . 1 1 53 53 GLN N N 53 120.010 120.010 118.432 1.578 19007 1916 1 4 . 1 1 53 53 GLN HA H 53 4.440 4.440 4.236 0.204 19007 1917 1 4 . 1 1 53 53 GLN C C 53 175.001 175.001 175.147 -0.146 19007 1918 1 4 . 1 1 53 53 GLN CA C 53 54.580 54.580 55.824 -1.244 19007 1919 1 4 . 1 1 53 53 GLN CB C 53 30.330 30.330 28.448 1.882 19007 1920 1 4 . 1 1 53 53 GLN H H 53 7.860 7.860 7.622 0.238 19007 1921 1 4 . 1 1 54 54 LYS N N 54 120.420 120.420 126.477 -6.057 19007 1922 1 4 . 1 1 54 54 LYS HA H 54 4.704 4.704 4.935 -0.231 19007 1923 1 4 . 1 1 54 54 LYS C C 54 176.753 176.753 175.505 1.248 19007 1924 1 4 . 1 1 54 54 LYS CA C 54 55.830 55.830 55.531 0.299 19007 1925 1 4 . 1 1 54 54 LYS CB C 54 33.850 33.850 33.999 -0.149 19007 1926 1 4 . 1 1 54 54 LYS H H 54 8.250 8.250 9.482 -1.232 19007 1927 1 4 . 1 1 55 55 ILE N N 55 125.360 125.360 130.231 -4.871 19007 1928 1 4 . 1 1 55 55 ILE HA H 55 4.169 4.169 4.710 -0.541 19007 1929 1 4 . 1 1 55 55 ILE C C 55 174.405 174.405 174.529 -0.124 19007 1930 1 4 . 1 1 55 55 ILE CA C 55 60.350 60.350 60.468 -0.118 19007 1931 1 4 . 1 1 55 55 ILE CB C 55 39.690 39.690 38.334 1.356 19007 1932 1 4 . 1 1 55 55 ILE H H 55 9.050 9.050 9.287 -0.237 19007 1933 1 4 . 1 1 56 56 SER N N 56 121.850 121.850 123.527 -1.677 19007 1934 1 4 . 1 1 56 56 SER HA H 56 4.480 4.480 5.095 -0.615 19007 1935 1 4 . 1 1 56 56 SER C C 56 174.105 174.105 173.369 0.736 19007 1936 1 4 . 1 1 56 56 SER CA C 56 57.410 57.410 55.842 1.568 19007 1937 1 4 . 1 1 56 56 SER CB C 56 64.080 64.080 63.682 0.398 19007 1938 1 4 . 1 1 56 56 SER H H 56 8.330 8.330 8.517 -0.187 19007 1939 1 4 . 1 1 57 57 VAL N N 57 123.190 123.190 127.462 -4.272 19007 1940 1 4 . 1 1 57 57 VAL HA H 57 4.861 4.861 3.956 0.905 19007 1941 1 4 . 1 1 57 57 VAL C C 57 174.869 174.869 174.854 0.015 19007 1942 1 4 . 1 1 57 57 VAL CA C 57 61.130 61.130 62.421 -1.291 19007 1943 1 4 . 1 1 57 57 VAL CB C 57 33.600 33.600 30.800 2.800 19007 1944 1 4 . 1 1 57 57 VAL H H 57 8.680 8.680 8.731 -0.051 19007 1945 1 4 . 1 1 58 58 HIS N N 58 129.590 129.590 127.278 2.312 19007 1946 1 4 . 1 1 58 58 HIS HA H 58 5.076 5.076 4.959 0.117 19007 1947 1 4 . 1 1 58 58 HIS C C 58 174.351 174.351 175.146 -0.795 19007 1948 1 4 . 1 1 58 58 HIS CA C 58 54.420 54.420 54.196 0.224 19007 1949 1 4 . 1 1 58 58 HIS CB C 58 31.720 31.720 28.954 2.766 19007 1950 1 4 . 1 1 58 58 HIS H H 58 9.050 9.050 8.637 0.413 19007 1951 1 4 . 1 1 59 59 VAL N N 59 125.260 125.260 119.433 5.827 19007 1952 1 4 . 1 1 59 59 VAL HA H 59 4.408 4.408 4.436 -0.028 19007 1953 1 4 . 1 1 59 59 VAL C C 59 174.460 174.460 175.435 -0.975 19007 1954 1 4 . 1 1 59 59 VAL CA C 59 62.370 62.370 61.038 1.332 19007 1955 1 4 . 1 1 59 59 VAL CB C 59 32.760 32.760 30.464 2.296 19007 1956 1 4 . 1 1 59 59 VAL H H 59 8.800 8.800 8.164 0.636 19007 1957 1 4 . 1 1 60 60 LYS N N 60 128.520 128.520 127.106 1.414 19007 1958 1 4 . 1 1 60 60 LYS HA H 60 4.909 4.909 4.391 0.518 19007 1959 1 4 . 1 1 60 60 LYS C C 60 175.825 175.825 176.123 -0.298 19007 1960 1 4 . 1 1 60 60 LYS CA C 60 54.450 54.450 55.467 -1.017 19007 1961 1 4 . 1 1 60 60 LYS CB C 60 32.490 32.490 31.028 1.462 19007 1962 1 4 . 1 1 60 60 LYS H H 60 9.040 9.040 8.022 1.018 19007 1963 1 4 . 1 1 61 61 LEU N N 61 121.430 121.430 120.640 0.790 19007 1964 1 4 . 1 1 61 61 LEU HA H 61 4.527 4.527 4.562 -0.035 19007 1965 1 4 . 1 1 61 61 LEU C C 61 178.910 178.910 177.842 1.068 19007 1966 1 4 . 1 1 61 61 LEU CA C 61 54.410 54.410 55.867 -1.457 19007 1967 1 4 . 1 1 61 61 LEU CB C 61 44.330 44.330 42.588 1.742 19007 1968 1 4 . 1 1 61 61 LEU H H 61 8.700 8.700 8.014 0.686 19007 1969 1 4 . 1 1 62 62 GLY N N 62 110.520 110.520 105.432 5.088 19007 1970 1 4 . 1 1 62 62 GLY C C 62 175.350 175.350 174.066 1.284 19007 1971 1 4 . 1 1 62 62 GLY CA C 62 46.710 46.710 45.996 0.714 19007 1972 1 4 . 1 1 62 62 GLY H H 62 9.060 9.060 8.186 0.874 19007 1973 1 4 . 1 1 63 63 ASN N N 63 127.090 127.090 122.968 4.122 19007 1974 1 4 . 1 1 63 63 ASN HA H 63 4.778 4.778 4.635 0.143 19007 1975 1 4 . 1 1 63 63 ASN C C 63 174.214 174.214 175.613 -1.399 19007 1976 1 4 . 1 1 63 63 ASN CA C 63 52.910 52.910 52.948 -0.038 19007 1977 1 4 . 1 1 63 63 ASN CB C 63 38.100 38.100 36.753 1.347 19007 1978 1 4 . 1 1 63 63 ASN H H 63 10.390 10.390 8.684 1.706 19007 1979 1 4 . 1 1 64 64 ARG N N 64 121.850 121.850 121.269 0.581 19007 1980 1 4 . 1 1 64 64 ARG HA H 64 4.265 4.265 4.211 0.054 19007 1981 1 4 . 1 1 64 64 ARG C C 64 174.214 174.214 177.005 -2.791 19007 1982 1 4 . 1 1 64 64 ARG CA C 64 56.330 56.330 56.771 -0.441 19007 1983 1 4 . 1 1 64 64 ARG CB C 64 33.860 33.860 30.314 3.546 19007 1984 1 4 . 1 1 64 64 ARG H H 64 7.520 7.520 7.236 0.284 19007 1985 1 4 . 1 1 65 65 PHE N N 65 127.760 127.760 118.055 9.705 19007 1986 1 4 . 1 1 65 65 PHE HA H 65 4.503 4.503 4.077 0.426 19007 1987 1 4 . 1 1 65 65 PHE C C 65 176.508 176.508 174.238 2.270 19007 1988 1 4 . 1 1 65 65 PHE CA C 65 56.760 56.760 58.395 -1.635 19007 1989 1 4 . 1 1 65 65 PHE CB C 65 40.430 40.430 37.480 2.950 19007 1990 1 4 . 1 1 65 65 PHE H H 65 8.580 8.580 7.492 1.088 19007 1991 1 4 . 1 1 66 66 LEU N N 66 125.260 125.260 121.779 3.481 19007 1992 1 4 . 1 1 66 66 LEU HA H 66 4.288 4.288 4.411 -0.123 19007 1993 1 4 . 1 1 66 66 LEU C C 66 176.508 176.508 176.930 -0.422 19007 1994 1 4 . 1 1 66 66 LEU CA C 66 53.080 53.080 54.276 -1.196 19007 1995 1 4 . 1 1 66 66 LEU CB C 66 43.170 43.170 43.487 -0.317 19007 1996 1 4 . 1 1 66 66 LEU H H 66 8.040 8.040 7.851 0.189 19007 1997 1 4 . 1 1 67 67 TYR N N 67 120.480 120.480 124.137 -3.657 19007 1998 1 4 . 1 1 67 67 TYR HA H 67 4.515 4.515 4.535 -0.020 19007 1999 1 4 . 1 1 67 67 TYR C C 67 177.791 177.791 176.299 1.492 19007 2000 1 4 . 1 1 67 67 TYR CA C 67 58.120 58.120 57.288 0.832 19007 2001 1 4 . 1 1 67 67 TYR CB C 67 39.320 39.320 36.045 3.275 19007 2002 1 4 . 1 1 67 67 TYR H H 67 7.880 7.880 8.776 -0.896 19007 2003 1 4 . 1 1 68 68 LYS N N 68 125.020 125.020 121.451 3.569 19007 2004 1 4 . 1 1 68 68 LYS HA H 68 4.034 4.034 4.191 -0.157 19007 2005 1 4 . 1 1 68 68 LYS C C 68 178.364 178.364 177.613 0.751 19007 2006 1 4 . 1 1 68 68 LYS CA C 68 60.130 60.130 58.925 1.205 19007 2007 1 4 . 1 1 68 68 LYS CB C 68 32.150 32.150 32.242 -0.092 19007 2008 1 4 . 1 1 68 68 LYS H H 68 9.120 9.120 7.965 1.155 19007 2009 1 4 . 1 1 69 69 GLU N N 69 116.430 116.430 118.956 -2.526 19007 2010 1 4 . 1 1 69 69 GLU HA H 69 4.133 4.133 4.108 0.025 19007 2011 1 4 . 1 1 69 69 GLU C C 69 179.538 179.538 178.965 0.573 19007 2012 1 4 . 1 1 69 69 GLU CA C 69 60.030 60.030 58.985 1.045 19007 2013 1 4 . 1 1 69 69 GLU CB C 69 28.560 28.560 28.457 0.103 19007 2014 1 4 . 1 1 69 69 GLU H H 69 9.460 9.460 8.458 1.002 19007 2015 1 4 . 1 1 70 70 GLN N N 70 117.670 117.670 118.778 -1.108 19007 2016 1 4 . 1 1 70 70 GLN HA H 70 4.120 4.120 4.161 -0.041 19007 2017 1 4 . 1 1 70 70 GLN C C 70 177.955 177.955 178.451 -0.496 19007 2018 1 4 . 1 1 70 70 GLN CA C 70 57.950 57.950 58.952 -1.002 19007 2019 1 4 . 1 1 70 70 GLN CB C 70 29.290 29.290 28.771 0.519 19007 2020 1 4 . 1 1 70 70 GLN H H 70 7.000 7.000 8.423 -1.423 19007 2021 1 4 . 1 1 71 71 GLU N N 71 120.850 120.850 119.175 1.675 19007 2022 1 4 . 1 1 71 71 GLU HA H 71 3.668 3.668 4.067 -0.399 19007 2023 1 4 . 1 1 71 71 GLU C C 71 179.429 179.429 179.279 0.150 19007 2024 1 4 . 1 1 71 71 GLU CA C 71 60.620 60.620 59.138 1.482 19007 2025 1 4 . 1 1 71 71 GLU CB C 71 29.660 29.660 28.871 0.789 19007 2026 1 4 . 1 1 71 71 GLU H H 71 8.080 8.080 8.177 -0.097 19007 2027 1 4 . 1 1 72 72 GLU N N 72 119.670 119.670 120.623 -0.953 19007 2028 1 4 . 1 1 72 72 GLU HA H 72 4.038 4.038 3.968 0.070 19007 2029 1 4 . 1 1 72 72 GLU C C 72 178.446 178.446 178.443 0.003 19007 2030 1 4 . 1 1 72 72 GLU CA C 72 59.690 59.690 59.718 -0.028 19007 2031 1 4 . 1 1 72 72 GLU CB C 72 29.350 29.350 29.382 -0.032 19007 2032 1 4 . 1 1 72 72 GLU H H 72 8.390 8.390 8.371 0.019 19007 2033 1 4 . 1 1 73 73 GLN N N 73 119.030 119.030 118.194 0.836 19007 2034 1 4 . 1 1 73 73 GLN HA H 73 4.110 4.110 4.058 0.052 19007 2035 1 4 . 1 1 73 73 GLN C C 73 179.320 179.320 178.337 0.983 19007 2036 1 4 . 1 1 73 73 GLN CA C 73 59.470 59.470 58.555 0.915 19007 2037 1 4 . 1 1 73 73 GLN CB C 73 29.480 29.480 28.525 0.955 19007 2038 1 4 . 1 1 73 73 GLN H H 73 7.730 7.730 7.765 -0.035 19007 2039 1 4 . 1 1 74 74 LEU N N 74 119.760 119.760 115.863 3.897 19007 2040 1 4 . 1 1 74 74 LEU HA H 74 3.918 3.918 4.420 -0.502 19007 2041 1 4 . 1 1 74 74 LEU C C 74 177.818 177.818 179.130 -1.312 19007 2042 1 4 . 1 1 74 74 LEU CA C 74 58.720 58.720 57.305 1.415 19007 2043 1 4 . 1 1 74 74 LEU CB C 74 42.890 42.890 41.640 1.250 19007 2044 1 4 . 1 1 74 74 LEU H H 74 8.290 8.290 7.417 0.873 19007 2045 1 4 . 1 1 75 75 THR N N 75 113.520 113.520 117.204 -3.684 19007 2046 1 4 . 1 1 75 75 THR HA H 75 3.680 3.680 4.017 -0.337 19007 2047 1 4 . 1 1 75 75 THR C C 75 176.480 176.480 176.389 0.091 19007 2048 1 4 . 1 1 75 75 THR CA C 75 66.990 66.990 67.126 -0.137 19007 2049 1 4 . 1 1 75 75 THR CB C 75 68.640 68.640 68.266 0.374 19007 2050 1 4 . 1 1 75 75 THR H H 75 8.450 8.450 8.455 -0.005 19007 2051 1 4 . 1 1 76 76 GLU N N 76 121.340 121.340 121.388 -0.048 19007 2052 1 4 . 1 1 76 76 GLU HA H 76 4.014 4.014 4.025 -0.011 19007 2053 1 4 . 1 1 76 76 GLU C C 76 178.965 178.965 178.239 0.726 19007 2054 1 4 . 1 1 76 76 GLU CA C 76 59.190 59.190 59.107 0.083 19007 2055 1 4 . 1 1 76 76 GLU CB C 76 29.590 29.590 28.893 0.697 19007 2056 1 4 . 1 1 76 76 GLU H H 76 8.330 8.330 8.117 0.213 19007 2057 1 4 . 1 1 77 77 LEU N N 77 120.170 120.170 118.565 1.605 19007 2058 1 4 . 1 1 77 77 LEU HA H 77 3.955 3.955 4.093 -0.138 19007 2059 1 4 . 1 1 77 77 LEU C C 77 180.057 180.057 178.772 1.285 19007 2060 1 4 . 1 1 77 77 LEU CA C 77 58.510 58.510 58.048 0.462 19007 2061 1 4 . 1 1 77 77 LEU CB C 77 42.716 42.716 41.867 0.849 19007 2062 1 4 . 1 1 77 77 LEU H H 77 7.560 7.560 7.446 0.114 19007 2063 1 4 . 1 1 78 78 ILE N N 78 119.930 119.930 117.030 2.900 19007 2064 1 4 . 1 1 78 78 ILE HA H 78 3.429 3.429 3.835 -0.406 19007 2065 1 4 . 1 1 78 78 ILE C C 78 176.043 176.043 177.822 -1.779 19007 2066 1 4 . 1 1 78 78 ILE CA C 78 65.740 65.740 63.410 2.330 19007 2067 1 4 . 1 1 78 78 ILE CB C 78 37.960 37.960 38.110 -0.150 19007 2068 1 4 . 1 1 78 78 ILE H H 78 7.740 7.740 7.339 0.401 19007 2069 1 4 . 1 1 79 79 ALA N N 79 116.940 116.940 123.153 -6.213 19007 2070 1 4 . 1 1 79 79 ALA HA H 79 4.229 4.229 4.050 0.179 19007 2071 1 4 . 1 1 79 79 ALA C C 79 178.719 178.719 179.274 -0.555 19007 2072 1 4 . 1 1 79 79 ALA CA C 79 53.390 53.390 55.027 -1.637 19007 2073 1 4 . 1 1 79 79 ALA CB C 79 18.500 18.500 17.792 0.708 19007 2074 1 4 . 1 1 79 79 ALA H H 79 8.210 8.210 8.525 -0.315 19007 2075 1 4 . 1 1 80 80 SER N N 80 113.260 113.260 113.357 -0.097 19007 2076 1 4 . 1 1 80 80 SER HA H 80 4.253 4.253 4.288 -0.035 19007 2077 1 4 . 1 1 80 80 SER C C 80 174.869 174.869 174.888 -0.019 19007 2078 1 4 . 1 1 80 80 SER CA C 80 60.550 60.550 60.581 -0.031 19007 2079 1 4 . 1 1 80 80 SER CB C 80 63.130 63.130 63.483 -0.353 19007 2080 1 4 . 1 1 80 80 SER H H 80 7.600 7.600 7.824 -0.224 19007 2081 1 4 . 1 1 81 81 LYS N N 81 123.510 123.510 117.461 6.049 19007 2082 1 4 . 1 1 81 81 LYS HA H 81 4.527 4.527 4.575 -0.048 19007 2083 1 4 . 1 1 81 81 LYS C C 81 176.289 176.289 174.875 1.414 19007 2084 1 4 . 1 1 81 81 LYS CA C 81 54.000 54.000 54.934 -0.934 19007 2085 1 4 . 1 1 81 81 LYS CB C 81 30.440 30.440 31.752 -1.312 19007 2086 1 4 . 1 1 81 81 LYS H H 81 7.690 7.690 7.747 -0.057 19007 2087 1 4 . 1 1 82 82 LYS N N 82 120.760 120.760 122.207 -1.447 19007 2088 1 4 . 1 1 82 82 LYS HA H 82 4.539 4.539 4.248 0.291 19007 2089 1 4 . 1 1 82 82 LYS C C 82 176.835 176.835 175.823 1.012 19007 2090 1 4 . 1 1 82 82 LYS CA C 82 59.090 59.090 56.904 2.186 19007 2091 1 4 . 1 1 82 82 LYS CB C 82 32.330 32.330 30.262 2.068 19007 2092 1 4 . 1 1 82 82 LYS H H 82 8.190 8.190 8.082 0.108 19007 2093 1 4 . 1 1 83 83 ASP N N 83 117.280 117.280 122.896 -5.616 19007 2094 1 4 . 1 1 83 83 ASP HA H 83 4.659 4.659 4.557 0.102 19007 2095 1 4 . 1 1 83 83 ASP C C 83 174.460 174.460 176.376 -1.916 19007 2096 1 4 . 1 1 83 83 ASP CA C 83 55.390 55.390 55.169 0.221 19007 2097 1 4 . 1 1 83 83 ASP CB C 83 40.680 40.680 41.450 -0.770 19007 2098 1 4 . 1 1 83 83 ASP H H 83 8.670 8.670 8.332 0.338 19007 2099 1 4 . 1 1 84 84 LEU N N 84 117.780 117.780 119.138 -1.358 19007 2100 1 4 . 1 1 84 84 LEU HA H 84 5.100 5.100 4.151 0.949 19007 2101 1 4 . 1 1 84 84 LEU C C 84 176.753 176.753 177.748 -0.995 19007 2102 1 4 . 1 1 84 84 LEU CA C 84 54.560 54.560 54.103 0.457 19007 2103 1 4 . 1 1 84 84 LEU CB C 84 43.690 43.690 41.628 2.062 19007 2104 1 4 . 1 1 84 84 LEU H H 84 7.640 7.640 7.889 -0.249 19007 2105 1 4 . 1 1 85 85 PHE N N 85 117.610 117.610 120.960 -3.350 19007 2106 1 4 . 1 1 85 85 PHE HA H 85 4.754 4.754 4.498 0.256 19007 2107 1 4 . 1 1 85 85 PHE C C 85 173.204 173.204 174.292 -1.088 19007 2108 1 4 . 1 1 85 85 PHE CA C 85 56.400 56.400 57.971 -1.571 19007 2109 1 4 . 1 1 85 85 PHE CB C 85 42.000 42.000 37.258 4.742 19007 2110 1 4 . 1 1 85 85 PHE H H 85 8.280 8.280 8.381 -0.101 19007 2111 1 4 . 1 1 86 86 VAL N N 86 123.600 123.600 121.948 1.652 19007 2112 1 4 . 1 1 86 86 VAL HA H 86 3.882 3.882 5.187 -1.305 19007 2113 1 4 . 1 1 86 86 VAL C C 86 174.651 174.651 175.392 -0.741 19007 2114 1 4 . 1 1 86 86 VAL CA C 86 63.640 63.640 60.023 3.617 19007 2115 1 4 . 1 1 86 86 VAL CB C 86 31.440 31.440 34.236 -2.796 19007 2116 1 4 . 1 1 86 86 VAL H H 86 8.880 8.880 8.254 0.626 19007 2117 1 4 . 1 1 87 87 HIS N N 87 130.690 130.690 127.589 3.101 19007 2118 1 4 . 1 1 87 87 HIS HA H 87 4.420 4.420 4.720 -0.300 19007 2119 1 4 . 1 1 87 87 HIS C C 87 175.497 175.497 173.553 1.944 19007 2120 1 4 . 1 1 87 87 HIS CA C 87 58.090 58.090 55.874 2.216 19007 2121 1 4 . 1 1 87 87 HIS CB C 87 32.870 32.870 32.830 0.040 19007 2122 1 4 . 1 1 87 87 HIS H H 87 9.320 9.320 9.259 0.061 19007 2123 1 4 . 1 1 88 88 SER N N 88 109.280 109.280 122.418 -13.138 19007 2124 1 4 . 1 1 88 88 SER HA H 88 4.503 4.503 5.241 -0.738 19007 2125 1 4 . 1 1 88 88 SER C C 88 172.248 172.248 173.082 -0.834 19007 2126 1 4 . 1 1 88 88 SER CA C 88 57.560 57.560 57.380 0.180 19007 2127 1 4 . 1 1 88 88 SER CB C 88 64.890 64.890 65.220 -0.330 19007 2128 1 4 . 1 1 88 88 SER H H 88 7.370 7.370 8.567 -1.197 19007 2129 1 4 . 1 1 89 89 ILE N N 89 122.260 122.260 123.698 -1.438 19007 2130 1 4 . 1 1 89 89 ILE HA H 89 4.265 4.265 4.613 -0.348 19007 2131 1 4 . 1 1 89 89 ILE C C 89 174.569 174.569 173.417 1.152 19007 2132 1 4 . 1 1 89 89 ILE CA C 89 61.110 61.110 60.205 0.905 19007 2133 1 4 . 1 1 89 89 ILE CB C 89 39.960 39.960 41.767 -1.807 19007 2134 1 4 . 1 1 89 89 ILE H H 89 8.400 8.400 8.607 -0.207 19007 2135 1 4 . 1 1 90 90 ASP N N 90 126.690 126.690 124.054 2.636 19007 2136 1 4 . 1 1 90 90 ASP HA H 90 5.064 5.064 5.456 -0.392 19007 2137 1 4 . 1 1 90 90 ASP C C 90 174.469 174.469 175.346 -0.877 19007 2138 1 4 . 1 1 90 90 ASP CA C 90 53.600 53.600 52.558 1.042 19007 2139 1 4 . 1 1 90 90 ASP CB C 90 44.230 44.230 43.487 0.743 19007 2140 1 4 . 1 1 90 90 ASP H H 90 8.800 8.800 8.368 0.432 19007 2141 1 4 . 1 1 91 91 SER N N 91 116.760 116.760 111.893 4.867 19007 2142 1 4 . 1 1 91 91 SER HA H 91 4.781 4.781 4.812 -0.031 19007 2143 1 4 . 1 1 91 91 SER C C 91 173.164 173.164 174.667 -1.503 19007 2144 1 4 . 1 1 91 91 SER CA C 91 57.430 57.430 57.347 0.083 19007 2145 1 4 . 1 1 91 91 SER CB C 91 65.250 65.250 63.229 2.021 19007 2146 1 4 . 1 1 91 91 SER H H 91 8.500 8.500 8.431 0.069 19007 2147 1 4 . 1 1 92 92 GLU N N 92 123.420 123.420 122.092 1.328 19007 2148 1 4 . 1 1 92 92 GLU HA H 92 4.355 4.355 4.211 0.144 19007 2149 1 4 . 1 1 92 92 GLU C C 92 176.419 176.419 175.406 1.013 19007 2150 1 4 . 1 1 92 92 GLU CA C 92 56.250 56.250 55.851 0.399 19007 2151 1 4 . 1 1 92 92 GLU CB C 92 30.730 30.730 30.451 0.279 19007 2152 1 4 . 1 1 92 92 GLU H H 92 8.620 8.620 8.793 -0.173 19007 2153 1 4 . 1 1 93 93 VAL N N 93 122.090 122.090 119.473 2.617 19007 2154 1 4 . 1 1 93 93 VAL HA H 93 4.105 4.105 4.161 -0.056 19007 2155 1 4 . 1 1 93 93 VAL CA C 93 62.240 62.240 60.883 1.357 19007 2156 1 4 . 1 1 93 93 VAL CB C 93 32.860 32.860 33.544 -0.683 19007 2157 1 4 . 1 1 93 93 VAL H H 93 8.220 8.220 8.141 0.079 19007 2158 1 4 . 1 1 96 96 LYS HA H 96 4.079 4.079 4.430 -0.351 19007 2159 1 4 . 1 1 96 96 LYS C C 96 176.053 176.053 175.581 0.472 19007 2160 1 4 . 1 1 96 96 LYS CA C 96 62.497 62.497 56.218 6.279 19007 2161 1 4 . 1 1 96 96 LYS CB C 96 32.776 32.776 31.978 0.798 19007 2162 1 4 . 1 1 97 97 LYS N N 97 126.170 126.170 122.998 3.172 19007 2163 1 4 . 1 1 97 97 LYS HA H 97 4.300 4.300 4.388 -0.088 19007 2164 1 4 . 1 1 97 97 LYS C C 97 176.665 176.665 175.464 1.201 19007 2165 1 4 . 1 1 97 97 LYS CA C 97 56.730 56.730 56.542 0.188 19007 2166 1 4 . 1 1 97 97 LYS CB C 97 33.020 33.020 34.354 -1.334 19007 2167 1 4 . 1 1 97 97 LYS H H 97 8.500 8.500 7.842 0.658 19007 2168 1 4 . 1 1 98 98 GLU N N 98 122.020 122.020 125.263 -3.243 19007 2169 1 4 . 1 1 98 98 GLU HA H 98 4.226 4.226 4.395 -0.169 19007 2170 1 4 . 1 1 98 98 GLU C C 98 176.382 176.382 175.860 0.522 19007 2171 1 4 . 1 1 98 98 GLU CA C 98 56.890 56.890 56.023 0.867 19007 2172 1 4 . 1 1 98 98 GLU CB C 98 30.410 30.410 28.042 2.368 19007 2173 1 4 . 1 1 98 98 GLU H H 98 8.470 8.470 8.894 -0.424 19007 2174 1 4 . 1 1 99 99 ALA N N 99 124.770 124.770 122.081 2.689 19007 2175 1 4 . 1 1 99 99 ALA HA H 99 4.281 4.281 4.407 -0.126 19007 2176 1 4 . 1 1 99 99 ALA C C 99 177.723 177.723 177.458 0.265 19007 2177 1 4 . 1 1 99 99 ALA CA C 99 52.880 52.880 52.259 0.621 19007 2178 1 4 . 1 1 99 99 ALA CB C 99 19.320 19.320 19.561 -0.241 19007 2179 1 4 . 1 1 99 99 ALA H H 99 8.310 8.310 7.821 0.489 19007 2180 1 4 . 1 1 100 100 GLN N N 100 119.190 119.190 119.359 -0.169 19007 2181 1 4 . 1 1 100 100 GLN HA H 100 4.266 4.266 4.283 -0.017 19007 2182 1 4 . 1 1 100 100 GLN CA C 100 56.000 56.000 55.522 0.478 19007 2183 1 4 . 1 1 100 100 GLN CB C 100 29.970 29.970 29.223 0.747 19007 2184 1 4 . 1 1 100 100 GLN H H 100 8.280 8.280 8.028 0.252 19007 2185 1 4 . 1 1 101 101 GLN N N 101 120.421 120.421 126.483 -6.062 19007 2186 1 4 . 1 1 101 101 GLN HA H 101 4.650 4.650 4.390 0.260 19007 2187 1 4 . 1 1 101 101 GLN C C 101 175.725 175.725 174.878 0.847 19007 2188 1 4 . 1 1 101 101 GLN CA C 101 56.073 56.073 55.926 0.147 19007 2189 1 4 . 1 1 101 101 GLN CB C 101 29.524 29.524 28.101 1.423 19007 2190 1 4 . 1 1 101 101 GLN H H 101 8.114 8.114 8.590 -0.476 19007 2191 1 4 . 1 1 102 102 ILE N N 102 122.940 122.940 124.330 -1.390 19007 2192 1 4 . 1 1 102 102 ILE HA H 102 4.119 4.119 4.494 -0.375 19007 2193 1 4 . 1 1 102 102 ILE C C 102 175.916 175.916 174.576 1.340 19007 2194 1 4 . 1 1 102 102 ILE CA C 102 61.260 61.260 61.389 -0.129 19007 2195 1 4 . 1 1 102 102 ILE CB C 102 38.790 38.790 40.861 -2.071 19007 2196 1 4 . 1 1 102 102 ILE H H 102 8.240 8.240 8.135 0.105 19007 2197 1 4 . 1 1 103 103 ARG N N 103 125.780 125.780 127.867 -2.087 19007 2198 1 4 . 1 1 103 103 ARG HA H 103 4.369 4.369 4.574 -0.205 19007 2199 1 4 . 1 1 103 103 ARG C C 103 175.752 175.752 174.629 1.123 19007 2200 1 4 . 1 1 103 103 ARG CA C 103 55.940 55.940 55.116 0.824 19007 2201 1 4 . 1 1 103 103 ARG CB C 103 31.340 31.340 31.814 -0.474 19007 2202 1 4 . 1 1 103 103 ARG H H 103 8.400 8.400 8.335 0.065 19007 2203 1 4 . 1 1 104 104 GLU N N 104 123.840 123.840 120.510 3.330 19007 2204 1 4 . 1 1 104 104 GLU HA H 104 4.296 4.296 4.389 -0.093 19007 2205 1 4 . 1 1 104 104 GLU C C 104 175.314 175.314 175.662 -0.348 19007 2206 1 4 . 1 1 104 104 GLU CA C 104 56.430 56.430 56.566 -0.136 19007 2207 1 4 . 1 1 104 104 GLU CB C 104 30.560 30.560 30.606 -0.046 19007 2208 1 4 . 1 1 104 104 GLU H H 104 8.510 8.510 8.730 -0.220 19007 2209 1 5 . 1 1 6 6 THR HA H 6 4.321 4.321 4.557 -0.236 19007 2210 1 5 . 1 1 6 6 THR C C 6 174.339 174.339 173.393 0.946 19007 2211 1 5 . 1 1 6 6 THR CA C 6 62.139 62.139 61.145 0.994 19007 2212 1 5 . 1 1 6 6 THR CB C 6 69.788 69.788 69.565 0.223 19007 2213 1 5 . 1 1 7 7 LYS N N 7 124.350 124.350 119.971 4.379 19007 2214 1 5 . 1 1 7 7 LYS HA H 7 4.265 4.265 4.423 -0.158 19007 2215 1 5 . 1 1 7 7 LYS C C 7 176.341 176.341 175.472 0.869 19007 2216 1 5 . 1 1 7 7 LYS CA C 7 56.980 56.980 55.788 1.192 19007 2217 1 5 . 1 1 7 7 LYS CB C 7 33.110 33.110 33.329 -0.219 19007 2218 1 5 . 1 1 7 7 LYS H H 7 8.320 8.320 8.081 0.239 19007 2219 1 5 . 1 1 8 8 LYS N N 8 123.170 123.170 120.879 2.291 19007 2220 1 5 . 1 1 8 8 LYS HA H 8 4.253 4.253 4.547 -0.294 19007 2221 1 5 . 1 1 8 8 LYS C C 8 176.083 176.083 176.094 -0.011 19007 2222 1 5 . 1 1 8 8 LYS CA C 8 56.450 56.450 55.975 0.475 19007 2223 1 5 . 1 1 8 8 LYS CB C 8 33.480 33.480 34.159 -0.679 19007 2224 1 5 . 1 1 8 8 LYS H H 8 8.340 8.340 8.303 0.037 19007 2225 1 5 . 1 1 9 9 GLN N N 9 123.010 123.010 120.158 2.852 19007 2226 1 5 . 1 1 9 9 GLN HA H 9 4.289 4.289 4.498 -0.209 19007 2227 1 5 . 1 1 9 9 GLN C C 9 174.914 174.914 175.375 -0.461 19007 2228 1 5 . 1 1 9 9 GLN CA C 9 56.520 56.520 57.136 -0.616 19007 2229 1 5 . 1 1 9 9 GLN CB C 9 30.790 30.790 29.483 1.308 19007 2230 1 5 . 1 1 9 9 GLN H H 9 8.440 8.440 8.648 -0.208 19007 2231 1 5 . 1 1 10 10 GLN N N 10 121.180 121.180 120.007 1.173 19007 2232 1 5 . 1 1 10 10 GLN HA H 10 4.769 4.769 4.571 0.198 19007 2233 1 5 . 1 1 10 10 GLN C C 10 175.865 175.865 174.997 0.868 19007 2234 1 5 . 1 1 10 10 GLN CA C 10 55.580 55.580 54.744 0.836 19007 2235 1 5 . 1 1 10 10 GLN CB C 10 29.630 29.630 29.302 0.328 19007 2236 1 5 . 1 1 10 10 GLN H H 10 8.170 8.170 8.101 0.069 19007 2237 1 5 . 1 1 11 11 TYR N N 11 120.110 120.110 121.516 -1.406 19007 2238 1 5 . 1 1 11 11 TYR HA H 11 4.769 4.769 4.814 -0.045 19007 2239 1 5 . 1 1 11 11 TYR C C 11 174.319 174.319 172.823 1.496 19007 2240 1 5 . 1 1 11 11 TYR CA C 11 58.490 58.490 56.270 2.220 19007 2241 1 5 . 1 1 11 11 TYR CB C 11 39.350 39.350 40.337 -0.987 19007 2242 1 5 . 1 1 11 11 TYR H H 11 8.470 8.470 7.668 0.802 19007 2243 1 5 . 1 1 12 12 VAL N N 12 117.030 117.030 120.592 -3.562 19007 2244 1 5 . 1 1 12 12 VAL HA H 12 4.793 4.793 5.116 -0.323 19007 2245 1 5 . 1 1 12 12 VAL C C 12 174.636 174.636 174.903 -0.267 19007 2246 1 5 . 1 1 12 12 VAL CA C 12 60.730 60.730 60.835 -0.105 19007 2247 1 5 . 1 1 12 12 VAL CB C 12 34.790 34.790 35.760 -0.969 19007 2248 1 5 . 1 1 12 12 VAL H H 12 7.590 7.590 8.281 -0.691 19007 2249 1 5 . 1 1 13 13 THR N N 13 121.770 121.770 122.092 -0.322 19007 2250 1 5 . 1 1 13 13 THR HA H 13 4.615 4.615 4.775 -0.160 19007 2251 1 5 . 1 1 13 13 THR C C 13 173.030 173.030 172.682 0.348 19007 2252 1 5 . 1 1 13 13 THR CA C 13 61.540 61.540 61.005 0.535 19007 2253 1 5 . 1 1 13 13 THR CB C 13 71.050 71.050 70.780 0.270 19007 2254 1 5 . 1 1 13 13 THR H H 13 8.620 8.620 8.665 -0.045 19007 2255 1 5 . 1 1 14 14 ILE N N 14 126.190 126.190 127.410 -1.220 19007 2256 1 5 . 1 1 14 14 ILE HA H 14 4.781 4.781 4.313 0.468 19007 2257 1 5 . 1 1 14 14 ILE C C 14 175.112 175.112 174.413 0.699 19007 2258 1 5 . 1 1 14 14 ILE CA C 14 61.120 61.120 60.658 0.462 19007 2259 1 5 . 1 1 14 14 ILE CB C 14 40.340 40.340 39.538 0.802 19007 2260 1 5 . 1 1 14 14 ILE H H 14 8.890 8.890 8.593 0.297 19007 2261 1 5 . 1 1 15 15 LYS N N 15 127.020 127.020 129.275 -2.255 19007 2262 1 5 . 1 1 15 15 LYS HA H 15 4.734 4.734 4.567 0.167 19007 2263 1 5 . 1 1 15 15 LYS C C 15 175.409 175.409 175.238 0.171 19007 2264 1 5 . 1 1 15 15 LYS CA C 15 54.740 54.740 54.755 -0.015 19007 2265 1 5 . 1 1 15 15 LYS CB C 15 35.430 35.430 32.248 3.182 19007 2266 1 5 . 1 1 15 15 LYS H H 15 8.850 8.850 8.865 -0.015 19007 2267 1 5 . 1 1 16 16 GLY N N 16 112.120 112.120 113.552 -1.432 19007 2268 1 5 . 1 1 16 16 GLY C C 16 172.566 172.566 173.307 -0.741 19007 2269 1 5 . 1 1 16 16 GLY CA C 16 45.560 45.560 45.351 0.209 19007 2270 1 5 . 1 1 16 16 GLY H H 16 8.870 8.870 8.046 0.824 19007 2271 1 5 . 1 1 17 17 THR N N 17 114.520 114.520 119.581 -5.061 19007 2272 1 5 . 1 1 17 17 THR HA H 17 4.753 4.753 4.491 0.262 19007 2273 1 5 . 1 1 17 17 THR CA C 17 60.360 60.360 62.352 -1.992 19007 2274 1 5 . 1 1 17 17 THR CB C 17 72.040 72.040 69.617 2.423 19007 2275 1 5 . 1 1 17 17 THR H H 17 8.380 8.380 8.955 -0.575 19007 2276 1 5 . 1 1 19 19 ASN HA H 19 4.778 4.778 4.789 -0.011 19007 2277 1 5 . 1 1 19 19 ASN C C 19 174.616 174.616 173.656 0.960 19007 2278 1 5 . 1 1 19 19 ASN CA C 19 53.700 53.700 52.175 1.525 19007 2279 1 5 . 1 1 19 19 ASN CB C 19 39.018 39.018 39.808 -0.790 19007 2280 1 5 . 1 1 20 20 GLY N N 20 108.600 108.600 107.871 0.729 19007 2281 1 5 . 1 1 20 20 GLY C C 20 172.297 172.297 174.125 -1.828 19007 2282 1 5 . 1 1 20 20 GLY CA C 20 46.310 46.310 45.236 1.075 19007 2283 1 5 . 1 1 20 20 GLY H H 20 7.590 7.590 8.307 -0.717 19007 2284 1 5 . 1 1 21 21 LEU N N 21 123.210 123.210 122.631 0.579 19007 2285 1 5 . 1 1 21 21 LEU HA H 21 5.015 5.015 4.660 0.355 19007 2286 1 5 . 1 1 21 21 LEU C C 21 176.202 176.202 174.824 1.378 19007 2287 1 5 . 1 1 21 21 LEU CA C 21 54.090 54.090 55.356 -1.266 19007 2288 1 5 . 1 1 21 21 LEU CB C 21 45.940 45.940 44.269 1.671 19007 2289 1 5 . 1 1 21 21 LEU H H 21 8.760 8.760 8.155 0.605 19007 2290 1 5 . 1 1 22 22 THR N N 22 120.430 120.430 123.291 -2.861 19007 2291 1 5 . 1 1 22 22 THR HA H 22 5.191 5.191 5.024 0.167 19007 2292 1 5 . 1 1 22 22 THR C C 22 172.852 172.852 173.562 -0.710 19007 2293 1 5 . 1 1 22 22 THR CA C 22 61.850 61.850 61.730 0.119 19007 2294 1 5 . 1 1 22 22 THR CB C 22 69.800 69.800 68.529 1.270 19007 2295 1 5 . 1 1 22 22 THR H H 22 9.150 9.150 8.367 0.783 19007 2296 1 5 . 1 1 23 23 LEU N N 23 127.110 127.110 122.773 4.337 19007 2297 1 5 . 1 1 23 23 LEU HA H 23 4.910 4.910 5.532 -0.622 19007 2298 1 5 . 1 1 23 23 LEU C C 23 174.200 174.200 174.332 -0.132 19007 2299 1 5 . 1 1 23 23 LEU CA C 23 52.770 52.770 53.034 -0.264 19007 2300 1 5 . 1 1 23 23 LEU CB C 23 44.220 44.220 46.075 -1.855 19007 2301 1 5 . 1 1 23 23 LEU H H 23 8.870 8.870 8.478 0.392 19007 2302 1 5 . 1 1 24 24 HIS N N 24 124.600 124.600 121.510 3.090 19007 2303 1 5 . 1 1 24 24 HIS HA H 24 4.875 4.875 5.431 -0.556 19007 2304 1 5 . 1 1 24 24 HIS C C 24 174.033 174.033 172.834 1.199 19007 2305 1 5 . 1 1 24 24 HIS CA C 24 56.000 56.000 54.968 1.032 19007 2306 1 5 . 1 1 24 24 HIS CB C 24 30.400 30.400 33.868 -3.469 19007 2307 1 5 . 1 1 24 24 HIS H H 24 9.160 9.160 9.006 0.154 19007 2308 1 5 . 1 1 25 25 LEU N N 25 125.950 125.950 128.023 -2.073 19007 2309 1 5 . 1 1 25 25 LEU HA H 25 4.382 4.382 4.698 -0.316 19007 2310 1 5 . 1 1 25 25 LEU C C 25 175.806 175.806 173.770 2.036 19007 2311 1 5 . 1 1 25 25 LEU CA C 25 53.250 53.250 53.614 -0.364 19007 2312 1 5 . 1 1 25 25 LEU CB C 25 41.030 41.030 45.826 -4.796 19007 2313 1 5 . 1 1 25 25 LEU H H 25 8.420 8.420 8.067 0.353 19007 2314 1 5 . 1 1 26 26 ASP N N 26 126.170 126.170 125.953 0.217 19007 2315 1 5 . 1 1 26 26 ASP HA H 26 4.344 4.344 4.887 -0.543 19007 2316 1 5 . 1 1 26 26 ASP C C 26 176.302 176.302 174.082 2.220 19007 2317 1 5 . 1 1 26 26 ASP CA C 26 56.480 56.480 53.488 2.992 19007 2318 1 5 . 1 1 26 26 ASP CB C 26 43.880 43.880 41.506 2.374 19007 2319 1 5 . 1 1 26 26 ASP H H 26 8.630 8.630 7.965 0.665 19007 2320 1 5 . 1 1 27 27 ASP N N 27 122.430 122.430 120.859 1.571 19007 2321 1 5 . 1 1 27 27 ASP HA H 27 4.540 4.540 5.046 -0.506 19007 2322 1 5 . 1 1 27 27 ASP C C 27 176.381 176.381 173.706 2.675 19007 2323 1 5 . 1 1 27 27 ASP CA C 27 54.060 54.060 52.448 1.612 19007 2324 1 5 . 1 1 27 27 ASP CB C 27 40.820 40.820 45.431 -4.611 19007 2325 1 5 . 1 1 27 27 ASP H H 27 8.150 8.150 7.640 0.510 19007 2326 1 5 . 1 1 28 28 ALA N N 28 123.520 123.520 121.694 1.826 19007 2327 1 5 . 1 1 28 28 ALA HA H 28 4.600 4.600 4.666 -0.066 19007 2328 1 5 . 1 1 28 28 ALA C C 28 178.324 178.324 176.644 1.680 19007 2329 1 5 . 1 1 28 28 ALA CA C 28 52.860 52.860 51.556 1.304 19007 2330 1 5 . 1 1 28 28 ALA CB C 28 20.790 20.790 20.988 -0.198 19007 2331 1 5 . 1 1 28 28 ALA H H 28 8.480 8.480 8.386 0.094 19007 2332 1 5 . 1 1 29 29 CYS N N 29 115.580 115.580 118.037 -2.457 19007 2333 1 5 . 1 1 29 29 CYS HA H 29 4.680 4.680 4.129 0.551 19007 2334 1 5 . 1 1 29 29 CYS C C 29 174.696 174.696 174.029 0.667 19007 2335 1 5 . 1 1 29 29 CYS CA C 29 56.060 56.060 59.755 -3.695 19007 2336 1 5 . 1 1 29 29 CYS CB C 29 29.050 29.050 27.282 1.768 19007 2337 1 5 . 1 1 29 29 CYS H H 29 7.510 7.510 8.829 -1.319 19007 2338 1 5 . 1 1 30 30 SER N N 30 119.090 119.090 113.719 5.371 19007 2339 1 5 . 1 1 30 30 SER HA H 30 4.500 4.500 4.755 -0.255 19007 2340 1 5 . 1 1 30 30 SER CA C 30 58.370 58.370 58.114 0.256 19007 2341 1 5 . 1 1 30 30 SER CB C 30 64.170 64.170 64.170 0.000 19007 2342 1 5 . 1 1 30 30 SER H H 30 9.170 9.170 7.450 1.720 19007 2343 1 5 . 1 1 31 31 PHE HA H 31 4.041 4.041 4.789 -0.748 19007 2344 1 5 . 1 1 31 31 PHE C C 31 176.440 176.440 175.103 1.337 19007 2345 1 5 . 1 1 31 31 PHE CA C 31 62.491 62.491 57.499 4.992 19007 2346 1 5 . 1 1 31 31 PHE CB C 31 39.018 39.018 41.150 -2.131 19007 2347 1 5 . 1 1 32 32 ASP N N 32 116.020 116.020 128.966 -12.946 19007 2348 1 5 . 1 1 32 32 ASP HA H 32 4.139 4.139 4.599 -0.460 19007 2349 1 5 . 1 1 32 32 ASP C C 32 178.978 178.978 176.612 2.366 19007 2350 1 5 . 1 1 32 32 ASP CA C 32 57.670 57.670 54.495 3.175 19007 2351 1 5 . 1 1 32 32 ASP CB C 32 40.290 40.290 39.216 1.074 19007 2352 1 5 . 1 1 32 32 ASP H H 32 8.370 8.370 8.801 -0.431 19007 2353 1 5 . 1 1 33 33 GLU N N 33 120.170 120.170 121.550 -1.380 19007 2354 1 5 . 1 1 33 33 GLU HA H 33 4.149 4.149 4.200 -0.051 19007 2355 1 5 . 1 1 33 33 GLU C C 33 179.256 179.256 177.987 1.269 19007 2356 1 5 . 1 1 33 33 GLU CA C 33 58.810 58.810 59.318 -0.507 19007 2357 1 5 . 1 1 33 33 GLU CB C 33 29.510 29.510 29.465 0.045 19007 2358 1 5 . 1 1 33 33 GLU H H 33 7.560 7.560 8.457 -0.897 19007 2359 1 5 . 1 1 34 34 LEU N N 34 121.930 121.930 119.948 1.982 19007 2360 1 5 . 1 1 34 34 LEU HA H 34 3.755 3.755 4.235 -0.480 19007 2361 1 5 . 1 1 34 34 LEU C C 34 178.205 178.205 179.100 -0.895 19007 2362 1 5 . 1 1 34 34 LEU CA C 34 57.910 57.910 57.157 0.753 19007 2363 1 5 . 1 1 34 34 LEU CB C 34 41.980 41.980 41.159 0.821 19007 2364 1 5 . 1 1 34 34 LEU H H 34 7.730 7.730 8.232 -0.502 19007 2365 1 5 . 1 1 35 35 LEU N N 35 118.190 118.190 120.309 -2.119 19007 2366 1 5 . 1 1 35 35 LEU HA H 35 3.575 3.575 3.994 -0.419 19007 2367 1 5 . 1 1 35 35 LEU C C 35 179.295 179.295 178.431 0.864 19007 2368 1 5 . 1 1 35 35 LEU CA C 35 57.990 57.990 57.926 0.064 19007 2369 1 5 . 1 1 35 35 LEU CB C 35 40.900 40.900 41.984 -1.084 19007 2370 1 5 . 1 1 35 35 LEU H H 35 7.880 7.880 7.469 0.411 19007 2371 1 5 . 1 1 36 36 ASP N N 36 118.760 118.760 118.895 -0.135 19007 2372 1 5 . 1 1 36 36 ASP HA H 36 4.308 4.308 4.338 -0.030 19007 2373 1 5 . 1 1 36 36 ASP C C 36 178.819 178.819 178.711 0.108 19007 2374 1 5 . 1 1 36 36 ASP CA C 36 57.570 57.570 57.955 -0.385 19007 2375 1 5 . 1 1 36 36 ASP CB C 36 41.500 41.500 40.539 0.961 19007 2376 1 5 . 1 1 36 36 ASP H H 36 7.580 7.580 8.740 -1.160 19007 2377 1 5 . 1 1 37 37 GLY N N 37 107.520 107.520 108.185 -0.665 19007 2378 1 5 . 1 1 37 37 GLY C C 37 176.678 176.678 176.673 0.005 19007 2379 1 5 . 1 1 37 37 GLY CA C 37 47.340 47.340 47.205 0.135 19007 2380 1 5 . 1 1 37 37 GLY H H 37 8.210 8.210 7.985 0.225 19007 2381 1 5 . 1 1 38 38 LEU N N 38 123.680 123.680 122.557 1.123 19007 2382 1 5 . 1 1 38 38 LEU HA H 38 4.007 4.007 4.200 -0.193 19007 2383 1 5 . 1 1 38 38 LEU C C 38 177.769 177.769 178.734 -0.965 19007 2384 1 5 . 1 1 38 38 LEU CA C 38 57.970 57.970 56.972 0.998 19007 2385 1 5 . 1 1 38 38 LEU CB C 38 42.250 42.250 40.879 1.371 19007 2386 1 5 . 1 1 38 38 LEU H H 38 8.800 8.800 7.578 1.222 19007 2387 1 5 . 1 1 39 39 GLN N N 39 118.840 118.840 120.508 -1.668 19007 2388 1 5 . 1 1 39 39 GLN HA H 39 3.887 3.887 3.935 -0.048 19007 2389 1 5 . 1 1 39 39 GLN C C 39 178.443 178.443 178.541 -0.098 19007 2390 1 5 . 1 1 39 39 GLN CA C 39 59.450 59.450 59.967 -0.517 19007 2391 1 5 . 1 1 39 39 GLN CB C 39 28.400 28.400 28.485 -0.086 19007 2392 1 5 . 1 1 39 39 GLN H H 39 8.460 8.460 8.828 -0.368 19007 2393 1 5 . 1 1 40 40 ASN N N 40 116.110 116.110 117.802 -1.692 19007 2394 1 5 . 1 1 40 40 ASN HA H 40 4.488 4.488 4.512 -0.024 19007 2395 1 5 . 1 1 40 40 ASN C C 40 177.491 177.491 177.849 -0.358 19007 2396 1 5 . 1 1 40 40 ASN CA C 40 56.330 56.330 55.755 0.575 19007 2397 1 5 . 1 1 40 40 ASN CB C 40 39.230 39.230 38.653 0.577 19007 2398 1 5 . 1 1 40 40 ASN H H 40 7.810 7.810 8.520 -0.710 19007 2399 1 5 . 1 1 41 41 MET N N 41 119.840 119.840 120.470 -0.630 19007 2400 1 5 . 1 1 41 41 MET HA H 41 4.344 4.344 4.165 0.179 19007 2401 1 5 . 1 1 41 41 MET C C 41 177.551 177.551 177.423 0.128 19007 2402 1 5 . 1 1 41 41 MET CA C 41 58.140 58.140 59.186 -1.046 19007 2403 1 5 . 1 1 41 41 MET CB C 41 32.600 32.600 32.866 -0.266 19007 2404 1 5 . 1 1 41 41 MET H H 41 8.060 8.060 7.452 0.608 19007 2405 1 5 . 1 1 42 42 LEU N N 42 116.680 116.680 119.790 -3.110 19007 2406 1 5 . 1 1 42 42 LEU HA H 42 4.236 4.236 3.920 0.316 19007 2407 1 5 . 1 1 42 42 LEU C C 42 177.055 177.055 179.136 -2.081 19007 2408 1 5 . 1 1 42 42 LEU CA C 42 55.850 55.850 58.002 -2.152 19007 2409 1 5 . 1 1 42 42 LEU CB C 42 41.490 41.490 41.583 -0.093 19007 2410 1 5 . 1 1 42 42 LEU H H 42 8.280 8.280 8.731 -0.451 19007 2411 1 5 . 1 1 43 43 SER N N 43 113.420 113.420 113.276 0.144 19007 2412 1 5 . 1 1 43 43 SER HA H 43 4.452 4.452 4.269 0.183 19007 2413 1 5 . 1 1 43 43 SER C C 43 174.755 174.755 175.269 -0.514 19007 2414 1 5 . 1 1 43 43 SER CA C 43 59.340 59.340 61.706 -2.366 19007 2415 1 5 . 1 1 43 43 SER CB C 43 63.580 63.580 63.296 0.284 19007 2416 1 5 . 1 1 43 43 SER H H 43 7.650 7.650 7.869 -0.219 19007 2417 1 5 . 1 1 44 44 ILE N N 44 120.390 120.390 117.389 3.001 19007 2418 1 5 . 1 1 44 44 ILE HA H 44 4.188 4.188 4.108 0.080 19007 2419 1 5 . 1 1 44 44 ILE C C 44 176.440 176.440 176.502 -0.062 19007 2420 1 5 . 1 1 44 44 ILE CA C 44 61.500 61.500 61.950 -0.450 19007 2421 1 5 . 1 1 44 44 ILE CB C 44 38.640 38.640 38.658 -0.018 19007 2422 1 5 . 1 1 44 44 ILE H H 44 7.590 7.590 7.379 0.211 19007 2423 1 5 . 1 1 45 45 GLU N N 45 118.850 118.850 119.792 -0.942 19007 2424 1 5 . 1 1 45 45 GLU HA H 45 4.272 4.272 4.310 -0.038 19007 2425 1 5 . 1 1 45 45 GLU C C 45 176.698 176.698 176.805 -0.107 19007 2426 1 5 . 1 1 45 45 GLU CA C 45 61.950 61.950 57.698 4.252 19007 2427 1 5 . 1 1 45 45 GLU CB C 45 29.840 29.840 31.422 -1.582 19007 2428 1 5 . 1 1 45 45 GLU H H 45 8.200 8.200 8.049 0.151 19007 2429 1 5 . 1 1 46 46 GLN N N 46 118.260 118.260 118.651 -0.391 19007 2430 1 5 . 1 1 46 46 GLN HA H 46 4.212 4.212 4.509 -0.297 19007 2431 1 5 . 1 1 46 46 GLN C C 46 176.361 176.361 174.097 2.264 19007 2432 1 5 . 1 1 46 46 GLN CA C 46 56.770 56.770 55.621 1.149 19007 2433 1 5 . 1 1 46 46 GLN CB C 46 28.920 28.920 29.515 -0.595 19007 2434 1 5 . 1 1 46 46 GLN H H 46 8.270 8.270 8.303 -0.033 19007 2435 1 5 . 1 1 47 47 TYR N N 47 117.690 117.690 119.871 -2.181 19007 2436 1 5 . 1 1 47 47 TYR HA H 47 4.701 4.701 4.903 -0.202 19007 2437 1 5 . 1 1 47 47 TYR C C 47 175.588 175.588 174.050 1.538 19007 2438 1 5 . 1 1 47 47 TYR CA C 47 58.290 58.290 56.583 1.707 19007 2439 1 5 . 1 1 47 47 TYR CB C 47 39.250 39.250 39.044 0.207 19007 2440 1 5 . 1 1 47 47 TYR H H 47 7.980 7.980 8.187 -0.207 19007 2441 1 5 . 1 1 48 48 THR N N 48 108.930 108.930 116.737 -7.807 19007 2442 1 5 . 1 1 48 48 THR HA H 48 4.464 4.464 4.358 0.106 19007 2443 1 5 . 1 1 48 48 THR C C 48 176.381 176.381 173.604 2.777 19007 2444 1 5 . 1 1 48 48 THR CA C 48 61.150 61.150 60.247 0.903 19007 2445 1 5 . 1 1 48 48 THR CB C 48 70.190 70.190 70.939 -0.749 19007 2446 1 5 . 1 1 48 48 THR H H 48 7.570 7.570 7.050 0.520 19007 2447 1 5 . 1 1 49 49 ASP N N 49 121.350 121.350 125.856 -4.506 19007 2448 1 5 . 1 1 49 49 ASP HA H 49 4.752 4.752 4.592 0.160 19007 2449 1 5 . 1 1 49 49 ASP C C 49 177.015 177.015 176.496 0.519 19007 2450 1 5 . 1 1 49 49 ASP CA C 49 53.710 53.710 54.406 -0.696 19007 2451 1 5 . 1 1 49 49 ASP CB C 49 41.200 41.200 43.356 -2.156 19007 2452 1 5 . 1 1 49 49 ASP H H 49 8.100 8.100 9.168 -1.068 19007 2453 1 5 . 1 1 50 50 GLY N N 50 112.360 112.360 107.443 4.917 19007 2454 1 5 . 1 1 50 50 GLY C C 50 175.449 175.449 175.527 -0.078 19007 2455 1 5 . 1 1 50 50 GLY CA C 50 46.000 46.000 45.370 0.630 19007 2456 1 5 . 1 1 50 50 GLY H H 50 9.080 9.080 8.344 0.736 19007 2457 1 5 . 1 1 51 51 LYS N N 51 119.510 119.510 121.023 -1.513 19007 2458 1 5 . 1 1 51 51 LYS HA H 51 4.200 4.200 4.540 -0.340 19007 2459 1 5 . 1 1 51 51 LYS C C 51 177.214 177.214 176.995 0.219 19007 2460 1 5 . 1 1 51 51 LYS CA C 51 56.540 56.540 56.044 0.496 19007 2461 1 5 . 1 1 51 51 LYS CB C 51 31.420 31.420 34.324 -2.904 19007 2462 1 5 . 1 1 51 51 LYS H H 51 8.590 8.590 8.676 -0.086 19007 2463 1 5 . 1 1 52 52 GLY N N 52 108.180 108.180 110.140 -1.960 19007 2464 1 5 . 1 1 52 52 GLY C C 52 174.279 174.279 172.714 1.565 19007 2465 1 5 . 1 1 52 52 GLY CA C 52 45.450 45.450 45.188 0.262 19007 2466 1 5 . 1 1 52 52 GLY H H 52 8.670 8.670 8.072 0.598 19007 2467 1 5 . 1 1 53 53 GLN N N 53 120.010 120.010 121.705 -1.695 19007 2468 1 5 . 1 1 53 53 GLN HA H 53 4.440 4.440 4.272 0.168 19007 2469 1 5 . 1 1 53 53 GLN C C 53 175.001 175.001 175.068 -0.067 19007 2470 1 5 . 1 1 53 53 GLN CA C 53 54.580 54.580 55.184 -0.604 19007 2471 1 5 . 1 1 53 53 GLN CB C 53 30.330 30.330 29.018 1.312 19007 2472 1 5 . 1 1 53 53 GLN H H 53 7.860 7.860 8.487 -0.627 19007 2473 1 5 . 1 1 54 54 LYS N N 54 120.420 120.420 127.489 -7.069 19007 2474 1 5 . 1 1 54 54 LYS HA H 54 4.704 4.704 4.574 0.130 19007 2475 1 5 . 1 1 54 54 LYS C C 54 176.753 176.753 175.566 1.187 19007 2476 1 5 . 1 1 54 54 LYS CA C 54 55.830 55.830 56.162 -0.332 19007 2477 1 5 . 1 1 54 54 LYS CB C 54 33.850 33.850 33.074 0.776 19007 2478 1 5 . 1 1 54 54 LYS H H 54 8.250 8.250 8.593 -0.343 19007 2479 1 5 . 1 1 55 55 ILE N N 55 125.360 125.360 130.103 -4.743 19007 2480 1 5 . 1 1 55 55 ILE HA H 55 4.169 4.169 4.710 -0.541 19007 2481 1 5 . 1 1 55 55 ILE C C 55 174.405 174.405 174.508 -0.103 19007 2482 1 5 . 1 1 55 55 ILE CA C 55 60.350 60.350 60.607 -0.257 19007 2483 1 5 . 1 1 55 55 ILE CB C 55 39.690 39.690 38.499 1.191 19007 2484 1 5 . 1 1 55 55 ILE H H 55 9.050 9.050 9.268 -0.218 19007 2485 1 5 . 1 1 56 56 SER N N 56 121.850 121.850 123.829 -1.979 19007 2486 1 5 . 1 1 56 56 SER HA H 56 4.480 4.480 5.252 -0.772 19007 2487 1 5 . 1 1 56 56 SER C C 56 174.105 174.105 173.369 0.736 19007 2488 1 5 . 1 1 56 56 SER CA C 56 57.410 57.410 56.479 0.931 19007 2489 1 5 . 1 1 56 56 SER CB C 56 64.080 64.080 64.503 -0.423 19007 2490 1 5 . 1 1 56 56 SER H H 56 8.330 8.330 8.738 -0.408 19007 2491 1 5 . 1 1 57 57 VAL N N 57 123.190 123.190 127.098 -3.908 19007 2492 1 5 . 1 1 57 57 VAL HA H 57 4.861 4.861 4.318 0.543 19007 2493 1 5 . 1 1 57 57 VAL C C 57 174.869 174.869 174.712 0.157 19007 2494 1 5 . 1 1 57 57 VAL CA C 57 61.130 61.130 62.048 -0.918 19007 2495 1 5 . 1 1 57 57 VAL CB C 57 33.600 33.600 32.033 1.567 19007 2496 1 5 . 1 1 57 57 VAL H H 57 8.680 8.680 8.333 0.347 19007 2497 1 5 . 1 1 58 58 HIS N N 58 129.590 129.590 127.964 1.626 19007 2498 1 5 . 1 1 58 58 HIS HA H 58 5.076 5.076 5.208 -0.132 19007 2499 1 5 . 1 1 58 58 HIS C C 58 174.351 174.351 174.769 -0.418 19007 2500 1 5 . 1 1 58 58 HIS CA C 58 54.420 54.420 54.378 0.042 19007 2501 1 5 . 1 1 58 58 HIS CB C 58 31.720 31.720 30.486 1.234 19007 2502 1 5 . 1 1 58 58 HIS H H 58 9.050 9.050 8.420 0.630 19007 2503 1 5 . 1 1 59 59 VAL N N 59 125.260 125.260 121.814 3.446 19007 2504 1 5 . 1 1 59 59 VAL HA H 59 4.408 4.408 4.350 0.058 19007 2505 1 5 . 1 1 59 59 VAL C C 59 174.460 174.460 175.808 -1.348 19007 2506 1 5 . 1 1 59 59 VAL CA C 59 62.370 62.370 61.392 0.977 19007 2507 1 5 . 1 1 59 59 VAL CB C 59 32.760 32.760 30.749 2.011 19007 2508 1 5 . 1 1 59 59 VAL H H 59 8.800 8.800 8.415 0.385 19007 2509 1 5 . 1 1 60 60 LYS N N 60 128.520 128.520 128.023 0.497 19007 2510 1 5 . 1 1 60 60 LYS HA H 60 4.909 4.909 4.464 0.445 19007 2511 1 5 . 1 1 60 60 LYS C C 60 175.825 175.825 175.933 -0.108 19007 2512 1 5 . 1 1 60 60 LYS CA C 60 54.450 54.450 54.857 -0.407 19007 2513 1 5 . 1 1 60 60 LYS CB C 60 32.490 32.490 30.380 2.110 19007 2514 1 5 . 1 1 60 60 LYS H H 60 9.040 9.040 8.151 0.889 19007 2515 1 5 . 1 1 61 61 LEU N N 61 121.430 121.430 119.942 1.488 19007 2516 1 5 . 1 1 61 61 LEU HA H 61 4.527 4.527 4.800 -0.273 19007 2517 1 5 . 1 1 61 61 LEU C C 61 178.910 178.910 178.216 0.694 19007 2518 1 5 . 1 1 61 61 LEU CA C 61 54.410 54.410 55.898 -1.488 19007 2519 1 5 . 1 1 61 61 LEU CB C 61 44.330 44.330 43.005 1.325 19007 2520 1 5 . 1 1 61 61 LEU H H 61 8.700 8.700 7.757 0.943 19007 2521 1 5 . 1 1 62 62 GLY N N 62 110.520 110.520 104.298 6.222 19007 2522 1 5 . 1 1 62 62 GLY C C 62 175.350 175.350 174.156 1.194 19007 2523 1 5 . 1 1 62 62 GLY CA C 62 46.710 46.710 45.277 1.433 19007 2524 1 5 . 1 1 62 62 GLY H H 62 9.060 9.060 8.135 0.925 19007 2525 1 5 . 1 1 63 63 ASN N N 63 127.090 127.090 123.019 4.071 19007 2526 1 5 . 1 1 63 63 ASN HA H 63 4.778 4.778 4.069 0.709 19007 2527 1 5 . 1 1 63 63 ASN C C 63 174.214 174.214 175.269 -1.055 19007 2528 1 5 . 1 1 63 63 ASN CA C 63 52.910 52.910 52.609 0.301 19007 2529 1 5 . 1 1 63 63 ASN CB C 63 38.100 38.100 37.537 0.563 19007 2530 1 5 . 1 1 63 63 ASN H H 63 10.390 10.390 8.506 1.884 19007 2531 1 5 . 1 1 64 64 ARG N N 64 121.850 121.850 120.341 1.509 19007 2532 1 5 . 1 1 64 64 ARG HA H 64 4.265 4.265 4.193 0.072 19007 2533 1 5 . 1 1 64 64 ARG C C 64 174.214 174.214 176.852 -2.638 19007 2534 1 5 . 1 1 64 64 ARG CA C 64 56.330 56.330 56.826 -0.496 19007 2535 1 5 . 1 1 64 64 ARG CB C 64 33.860 33.860 30.550 3.310 19007 2536 1 5 . 1 1 64 64 ARG H H 64 7.520 7.520 7.158 0.362 19007 2537 1 5 . 1 1 65 65 PHE N N 65 127.760 127.760 116.081 11.679 19007 2538 1 5 . 1 1 65 65 PHE HA H 65 4.503 4.503 4.066 0.437 19007 2539 1 5 . 1 1 65 65 PHE C C 65 176.508 176.508 174.813 1.695 19007 2540 1 5 . 1 1 65 65 PHE CA C 65 56.760 56.760 58.201 -1.441 19007 2541 1 5 . 1 1 65 65 PHE CB C 65 40.430 40.430 36.403 4.027 19007 2542 1 5 . 1 1 65 65 PHE H H 65 8.580 8.580 7.146 1.434 19007 2543 1 5 . 1 1 66 66 LEU N N 66 125.260 125.260 119.727 5.533 19007 2544 1 5 . 1 1 66 66 LEU HA H 66 4.288 4.288 4.062 0.226 19007 2545 1 5 . 1 1 66 66 LEU C C 66 176.508 176.508 177.437 -0.929 19007 2546 1 5 . 1 1 66 66 LEU CA C 66 53.080 53.080 54.861 -1.782 19007 2547 1 5 . 1 1 66 66 LEU CB C 66 43.170 43.170 43.051 0.119 19007 2548 1 5 . 1 1 66 66 LEU H H 66 8.040 8.040 7.655 0.385 19007 2549 1 5 . 1 1 67 67 TYR N N 67 120.480 120.480 125.268 -4.788 19007 2550 1 5 . 1 1 67 67 TYR HA H 67 4.515 4.515 4.479 0.036 19007 2551 1 5 . 1 1 67 67 TYR C C 67 177.791 177.791 176.196 1.595 19007 2552 1 5 . 1 1 67 67 TYR CA C 67 58.120 58.120 57.771 0.349 19007 2553 1 5 . 1 1 67 67 TYR CB C 67 39.320 39.320 36.109 3.211 19007 2554 1 5 . 1 1 67 67 TYR H H 67 7.880 7.880 8.571 -0.691 19007 2555 1 5 . 1 1 68 68 LYS N N 68 125.020 125.020 121.238 3.782 19007 2556 1 5 . 1 1 68 68 LYS HA H 68 4.034 4.034 4.269 -0.235 19007 2557 1 5 . 1 1 68 68 LYS C C 68 178.364 178.364 177.935 0.429 19007 2558 1 5 . 1 1 68 68 LYS CA C 68 60.130 60.130 59.022 1.108 19007 2559 1 5 . 1 1 68 68 LYS CB C 68 32.150 32.150 32.256 -0.106 19007 2560 1 5 . 1 1 68 68 LYS H H 68 9.120 9.120 8.227 0.893 19007 2561 1 5 . 1 1 69 69 GLU N N 69 116.430 116.430 120.152 -3.722 19007 2562 1 5 . 1 1 69 69 GLU HA H 69 4.133 4.133 4.031 0.102 19007 2563 1 5 . 1 1 69 69 GLU C C 69 179.538 179.538 178.480 1.058 19007 2564 1 5 . 1 1 69 69 GLU CA C 69 60.030 60.030 59.170 0.860 19007 2565 1 5 . 1 1 69 69 GLU CB C 69 28.560 28.560 29.054 -0.494 19007 2566 1 5 . 1 1 69 69 GLU H H 69 9.460 9.460 8.569 0.891 19007 2567 1 5 . 1 1 70 70 GLN N N 70 117.670 117.670 117.181 0.489 19007 2568 1 5 . 1 1 70 70 GLN HA H 70 4.120 4.120 4.126 -0.006 19007 2569 1 5 . 1 1 70 70 GLN C C 70 177.955 177.955 178.831 -0.876 19007 2570 1 5 . 1 1 70 70 GLN CA C 70 57.950 57.950 58.630 -0.680 19007 2571 1 5 . 1 1 70 70 GLN CB C 70 29.290 29.290 28.388 0.902 19007 2572 1 5 . 1 1 70 70 GLN H H 70 7.000 7.000 8.308 -1.308 19007 2573 1 5 . 1 1 71 71 GLU N N 71 120.850 120.850 119.323 1.527 19007 2574 1 5 . 1 1 71 71 GLU HA H 71 3.668 3.668 4.200 -0.532 19007 2575 1 5 . 1 1 71 71 GLU C C 71 179.429 179.429 178.993 0.436 19007 2576 1 5 . 1 1 71 71 GLU CA C 71 60.620 60.620 58.890 1.730 19007 2577 1 5 . 1 1 71 71 GLU CB C 71 29.660 29.660 29.201 0.459 19007 2578 1 5 . 1 1 71 71 GLU H H 71 8.080 8.080 7.600 0.480 19007 2579 1 5 . 1 1 72 72 GLU N N 72 119.670 119.670 121.411 -1.741 19007 2580 1 5 . 1 1 72 72 GLU HA H 72 4.038 4.038 3.913 0.125 19007 2581 1 5 . 1 1 72 72 GLU C C 72 178.446 178.446 178.609 -0.163 19007 2582 1 5 . 1 1 72 72 GLU CA C 72 59.690 59.690 59.979 -0.289 19007 2583 1 5 . 1 1 72 72 GLU CB C 72 29.350 29.350 29.643 -0.293 19007 2584 1 5 . 1 1 72 72 GLU H H 72 8.390 8.390 8.637 -0.247 19007 2585 1 5 . 1 1 73 73 GLN N N 73 119.030 119.030 117.793 1.237 19007 2586 1 5 . 1 1 73 73 GLN HA H 73 4.110 4.110 4.034 0.076 19007 2587 1 5 . 1 1 73 73 GLN C C 73 179.320 179.320 178.014 1.306 19007 2588 1 5 . 1 1 73 73 GLN CA C 73 59.470 59.470 58.554 0.916 19007 2589 1 5 . 1 1 73 73 GLN CB C 73 29.480 29.480 28.013 1.467 19007 2590 1 5 . 1 1 73 73 GLN H H 73 7.730 7.730 8.383 -0.653 19007 2591 1 5 . 1 1 74 74 LEU N N 74 119.760 119.760 114.056 5.704 19007 2592 1 5 . 1 1 74 74 LEU HA H 74 3.918 3.918 4.469 -0.551 19007 2593 1 5 . 1 1 74 74 LEU C C 74 177.818 177.818 178.910 -1.092 19007 2594 1 5 . 1 1 74 74 LEU CA C 74 58.720 58.720 57.025 1.695 19007 2595 1 5 . 1 1 74 74 LEU CB C 74 42.890 42.890 41.697 1.192 19007 2596 1 5 . 1 1 74 74 LEU H H 74 8.290 8.290 7.316 0.974 19007 2597 1 5 . 1 1 75 75 THR N N 75 113.520 113.520 116.971 -3.451 19007 2598 1 5 . 1 1 75 75 THR HA H 75 3.680 3.680 3.975 -0.295 19007 2599 1 5 . 1 1 75 75 THR C C 75 176.480 176.480 176.377 0.103 19007 2600 1 5 . 1 1 75 75 THR CA C 75 66.990 66.990 67.518 -0.528 19007 2601 1 5 . 1 1 75 75 THR CB C 75 68.640 68.640 68.246 0.394 19007 2602 1 5 . 1 1 75 75 THR H H 75 8.450 8.450 8.349 0.101 19007 2603 1 5 . 1 1 76 76 GLU N N 76 121.340 121.340 120.905 0.435 19007 2604 1 5 . 1 1 76 76 GLU HA H 76 4.014 4.014 4.043 -0.029 19007 2605 1 5 . 1 1 76 76 GLU C C 76 178.965 178.965 178.678 0.287 19007 2606 1 5 . 1 1 76 76 GLU CA C 76 59.190 59.190 59.229 -0.039 19007 2607 1 5 . 1 1 76 76 GLU CB C 76 29.590 29.590 29.177 0.413 19007 2608 1 5 . 1 1 76 76 GLU H H 76 8.330 8.330 8.329 0.002 19007 2609 1 5 . 1 1 77 77 LEU N N 77 120.170 120.170 119.056 1.114 19007 2610 1 5 . 1 1 77 77 LEU HA H 77 3.955 3.955 4.130 -0.175 19007 2611 1 5 . 1 1 77 77 LEU C C 77 180.057 180.057 178.779 1.278 19007 2612 1 5 . 1 1 77 77 LEU CA C 77 58.510 58.510 57.910 0.600 19007 2613 1 5 . 1 1 77 77 LEU CB C 77 42.716 42.716 42.073 0.643 19007 2614 1 5 . 1 1 77 77 LEU H H 77 7.560 7.560 7.463 0.097 19007 2615 1 5 . 1 1 78 78 ILE N N 78 119.930 119.930 118.034 1.896 19007 2616 1 5 . 1 1 78 78 ILE HA H 78 3.429 3.429 4.009 -0.580 19007 2617 1 5 . 1 1 78 78 ILE C C 78 176.043 176.043 177.343 -1.300 19007 2618 1 5 . 1 1 78 78 ILE CA C 78 65.740 65.740 62.205 3.535 19007 2619 1 5 . 1 1 78 78 ILE CB C 78 37.960 37.960 37.909 0.051 19007 2620 1 5 . 1 1 78 78 ILE H H 78 7.740 7.740 7.517 0.223 19007 2621 1 5 . 1 1 79 79 ALA N N 79 116.940 116.940 124.215 -7.275 19007 2622 1 5 . 1 1 79 79 ALA HA H 79 4.229 4.229 4.060 0.169 19007 2623 1 5 . 1 1 79 79 ALA C C 79 178.719 178.719 179.693 -0.974 19007 2624 1 5 . 1 1 79 79 ALA CA C 79 53.390 53.390 55.288 -1.898 19007 2625 1 5 . 1 1 79 79 ALA CB C 79 18.500 18.500 17.873 0.627 19007 2626 1 5 . 1 1 79 79 ALA H H 79 8.210 8.210 8.300 -0.090 19007 2627 1 5 . 1 1 80 80 SER N N 80 113.260 113.260 113.528 -0.268 19007 2628 1 5 . 1 1 80 80 SER HA H 80 4.253 4.253 4.305 -0.052 19007 2629 1 5 . 1 1 80 80 SER C C 80 174.869 174.869 175.217 -0.348 19007 2630 1 5 . 1 1 80 80 SER CA C 80 60.550 60.550 60.655 -0.105 19007 2631 1 5 . 1 1 80 80 SER CB C 80 63.130 63.130 63.332 -0.202 19007 2632 1 5 . 1 1 80 80 SER H H 80 7.600 7.600 7.971 -0.371 19007 2633 1 5 . 1 1 81 81 LYS N N 81 123.510 123.510 118.170 5.340 19007 2634 1 5 . 1 1 81 81 LYS HA H 81 4.527 4.527 4.651 -0.124 19007 2635 1 5 . 1 1 81 81 LYS C C 81 176.289 176.289 175.418 0.871 19007 2636 1 5 . 1 1 81 81 LYS CA C 81 54.000 54.000 55.473 -1.473 19007 2637 1 5 . 1 1 81 81 LYS CB C 81 30.440 30.440 33.062 -2.622 19007 2638 1 5 . 1 1 81 81 LYS H H 81 7.690 7.690 7.755 -0.065 19007 2639 1 5 . 1 1 82 82 LYS N N 82 120.760 120.760 121.068 -0.308 19007 2640 1 5 . 1 1 82 82 LYS HA H 82 4.539 4.539 4.258 0.281 19007 2641 1 5 . 1 1 82 82 LYS C C 82 176.835 176.835 175.860 0.975 19007 2642 1 5 . 1 1 82 82 LYS CA C 82 59.090 59.090 56.801 2.289 19007 2643 1 5 . 1 1 82 82 LYS CB C 82 32.330 32.330 30.477 1.853 19007 2644 1 5 . 1 1 82 82 LYS H H 82 8.190 8.190 7.589 0.601 19007 2645 1 5 . 1 1 83 83 ASP N N 83 117.280 117.280 120.683 -3.403 19007 2646 1 5 . 1 1 83 83 ASP HA H 83 4.659 4.659 4.496 0.163 19007 2647 1 5 . 1 1 83 83 ASP C C 83 174.460 174.460 176.490 -2.030 19007 2648 1 5 . 1 1 83 83 ASP CA C 83 55.390 55.390 55.280 0.110 19007 2649 1 5 . 1 1 83 83 ASP CB C 83 40.680 40.680 41.273 -0.593 19007 2650 1 5 . 1 1 83 83 ASP H H 83 8.670 8.670 8.273 0.397 19007 2651 1 5 . 1 1 84 84 LEU N N 84 117.780 117.780 119.070 -1.290 19007 2652 1 5 . 1 1 84 84 LEU HA H 84 5.100 5.100 4.073 1.027 19007 2653 1 5 . 1 1 84 84 LEU C C 84 176.753 176.753 178.301 -1.548 19007 2654 1 5 . 1 1 84 84 LEU CA C 84 54.560 54.560 54.096 0.464 19007 2655 1 5 . 1 1 84 84 LEU CB C 84 43.690 43.690 41.763 1.927 19007 2656 1 5 . 1 1 84 84 LEU H H 84 7.640 7.640 7.586 0.054 19007 2657 1 5 . 1 1 85 85 PHE N N 85 117.610 117.610 120.051 -2.441 19007 2658 1 5 . 1 1 85 85 PHE HA H 85 4.754 4.754 4.560 0.194 19007 2659 1 5 . 1 1 85 85 PHE C C 85 173.204 173.204 174.429 -1.225 19007 2660 1 5 . 1 1 85 85 PHE CA C 85 56.400 56.400 57.529 -1.129 19007 2661 1 5 . 1 1 85 85 PHE CB C 85 42.000 42.000 37.021 4.979 19007 2662 1 5 . 1 1 85 85 PHE H H 85 8.280 8.280 8.285 -0.005 19007 2663 1 5 . 1 1 86 86 VAL N N 86 123.600 123.600 121.673 1.927 19007 2664 1 5 . 1 1 86 86 VAL HA H 86 3.882 3.882 5.250 -1.368 19007 2665 1 5 . 1 1 86 86 VAL C C 86 174.651 174.651 175.442 -0.791 19007 2666 1 5 . 1 1 86 86 VAL CA C 86 63.640 63.640 60.465 3.175 19007 2667 1 5 . 1 1 86 86 VAL CB C 86 31.440 31.440 33.985 -2.545 19007 2668 1 5 . 1 1 86 86 VAL H H 86 8.880 8.880 8.004 0.876 19007 2669 1 5 . 1 1 87 87 HIS N N 87 130.690 130.690 128.587 2.103 19007 2670 1 5 . 1 1 87 87 HIS HA H 87 4.420 4.420 4.875 -0.455 19007 2671 1 5 . 1 1 87 87 HIS C C 87 175.497 175.497 173.958 1.539 19007 2672 1 5 . 1 1 87 87 HIS CA C 87 58.090 58.090 55.792 2.298 19007 2673 1 5 . 1 1 87 87 HIS CB C 87 32.870 32.870 32.176 0.694 19007 2674 1 5 . 1 1 87 87 HIS H H 87 9.320 9.320 9.256 0.064 19007 2675 1 5 . 1 1 88 88 SER N N 88 109.280 109.280 122.231 -12.951 19007 2676 1 5 . 1 1 88 88 SER HA H 88 4.503 4.503 5.129 -0.626 19007 2677 1 5 . 1 1 88 88 SER C C 88 172.248 172.248 173.101 -0.853 19007 2678 1 5 . 1 1 88 88 SER CA C 88 57.560 57.560 57.693 -0.133 19007 2679 1 5 . 1 1 88 88 SER CB C 88 64.890 64.890 64.397 0.493 19007 2680 1 5 . 1 1 88 88 SER H H 88 7.370 7.370 8.524 -1.154 19007 2681 1 5 . 1 1 89 89 ILE N N 89 122.260 122.260 125.876 -3.616 19007 2682 1 5 . 1 1 89 89 ILE HA H 89 4.265 4.265 4.517 -0.252 19007 2683 1 5 . 1 1 89 89 ILE C C 89 174.569 174.569 173.045 1.524 19007 2684 1 5 . 1 1 89 89 ILE CA C 89 61.110 61.110 60.067 1.043 19007 2685 1 5 . 1 1 89 89 ILE CB C 89 39.960 39.960 41.375 -1.415 19007 2686 1 5 . 1 1 89 89 ILE H H 89 8.400 8.400 9.058 -0.658 19007 2687 1 5 . 1 1 90 90 ASP N N 90 126.690 126.690 126.526 0.164 19007 2688 1 5 . 1 1 90 90 ASP HA H 90 5.064 5.064 5.274 -0.210 19007 2689 1 5 . 1 1 90 90 ASP C C 90 174.469 174.469 175.728 -1.259 19007 2690 1 5 . 1 1 90 90 ASP CA C 90 53.600 53.600 52.555 1.045 19007 2691 1 5 . 1 1 90 90 ASP CB C 90 44.230 44.230 43.041 1.189 19007 2692 1 5 . 1 1 90 90 ASP H H 90 8.800 8.800 8.535 0.265 19007 2693 1 5 . 1 1 91 91 SER N N 91 116.760 116.760 112.801 3.959 19007 2694 1 5 . 1 1 91 91 SER HA H 91 4.781 4.781 4.711 0.070 19007 2695 1 5 . 1 1 91 91 SER C C 91 173.164 173.164 174.005 -0.841 19007 2696 1 5 . 1 1 91 91 SER CA C 91 57.430 57.430 57.296 0.134 19007 2697 1 5 . 1 1 91 91 SER CB C 91 65.250 65.250 63.049 2.201 19007 2698 1 5 . 1 1 91 91 SER H H 91 8.500 8.500 8.406 0.094 19007 2699 1 5 . 1 1 92 92 GLU N N 92 123.420 123.420 121.324 2.096 19007 2700 1 5 . 1 1 92 92 GLU HA H 92 4.355 4.355 4.115 0.240 19007 2701 1 5 . 1 1 92 92 GLU C C 92 176.419 176.419 175.926 0.493 19007 2702 1 5 . 1 1 92 92 GLU CA C 92 56.250 56.250 56.130 0.120 19007 2703 1 5 . 1 1 92 92 GLU CB C 92 30.730 30.730 30.504 0.226 19007 2704 1 5 . 1 1 92 92 GLU H H 92 8.620 8.620 8.928 -0.308 19007 2705 1 5 . 1 1 93 93 VAL N N 93 122.090 122.090 119.071 3.019 19007 2706 1 5 . 1 1 93 93 VAL HA H 93 4.105 4.105 4.207 -0.102 19007 2707 1 5 . 1 1 93 93 VAL CA C 93 62.240 62.240 62.837 -0.597 19007 2708 1 5 . 1 1 93 93 VAL CB C 93 32.860 32.860 32.577 0.283 19007 2709 1 5 . 1 1 93 93 VAL H H 93 8.220 8.220 8.522 -0.302 19007 2710 1 5 . 1 1 96 96 LYS HA H 96 4.079 4.079 4.526 -0.447 19007 2711 1 5 . 1 1 96 96 LYS C C 96 176.053 176.053 175.357 0.696 19007 2712 1 5 . 1 1 96 96 LYS CA C 96 62.497 62.497 55.552 6.945 19007 2713 1 5 . 1 1 96 96 LYS CB C 96 32.776 32.776 33.563 -0.787 19007 2714 1 5 . 1 1 97 97 LYS N N 97 126.170 126.170 121.613 4.557 19007 2715 1 5 . 1 1 97 97 LYS HA H 97 4.300 4.300 4.514 -0.214 19007 2716 1 5 . 1 1 97 97 LYS C C 97 176.665 176.665 176.582 0.083 19007 2717 1 5 . 1 1 97 97 LYS CA C 97 56.730 56.730 56.664 0.066 19007 2718 1 5 . 1 1 97 97 LYS CB C 97 33.020 33.020 33.319 -0.299 19007 2719 1 5 . 1 1 97 97 LYS H H 97 8.500 8.500 8.512 -0.012 19007 2720 1 5 . 1 1 98 98 GLU N N 98 122.020 122.020 127.633 -5.613 19007 2721 1 5 . 1 1 98 98 GLU HA H 98 4.226 4.226 4.361 -0.135 19007 2722 1 5 . 1 1 98 98 GLU C C 98 176.382 176.382 175.702 0.680 19007 2723 1 5 . 1 1 98 98 GLU CA C 98 56.890 56.890 56.052 0.838 19007 2724 1 5 . 1 1 98 98 GLU CB C 98 30.410 30.410 28.171 2.239 19007 2725 1 5 . 1 1 98 98 GLU H H 98 8.470 8.470 8.912 -0.442 19007 2726 1 5 . 1 1 99 99 ALA N N 99 124.770 124.770 123.924 0.846 19007 2727 1 5 . 1 1 99 99 ALA HA H 99 4.281 4.281 4.519 -0.238 19007 2728 1 5 . 1 1 99 99 ALA C C 99 177.723 177.723 176.795 0.928 19007 2729 1 5 . 1 1 99 99 ALA CA C 99 52.880 52.880 51.762 1.118 19007 2730 1 5 . 1 1 99 99 ALA CB C 99 19.320 19.320 18.826 0.494 19007 2731 1 5 . 1 1 99 99 ALA H H 99 8.310 8.310 7.716 0.594 19007 2732 1 5 . 1 1 100 100 GLN N N 100 119.190 119.190 121.835 -2.645 19007 2733 1 5 . 1 1 100 100 GLN HA H 100 4.266 4.266 4.540 -0.274 19007 2734 1 5 . 1 1 100 100 GLN CA C 100 56.000 56.000 55.136 0.864 19007 2735 1 5 . 1 1 100 100 GLN CB C 100 29.970 29.970 31.213 -1.243 19007 2736 1 5 . 1 1 100 100 GLN H H 100 8.280 8.280 8.267 0.013 19007 2737 1 5 . 1 1 101 101 GLN N N 101 120.421 120.421 124.364 -3.943 19007 2738 1 5 . 1 1 101 101 GLN HA H 101 4.650 4.650 4.408 0.242 19007 2739 1 5 . 1 1 101 101 GLN C C 101 175.725 175.725 175.392 0.333 19007 2740 1 5 . 1 1 101 101 GLN CA C 101 56.073 56.073 55.698 0.375 19007 2741 1 5 . 1 1 101 101 GLN CB C 101 29.524 29.524 28.159 1.365 19007 2742 1 5 . 1 1 101 101 GLN H H 101 8.114 8.114 8.604 -0.490 19007 2743 1 5 . 1 1 102 102 ILE N N 102 122.940 122.940 124.258 -1.318 19007 2744 1 5 . 1 1 102 102 ILE HA H 102 4.119 4.119 4.358 -0.239 19007 2745 1 5 . 1 1 102 102 ILE C C 102 175.916 175.916 174.626 1.290 19007 2746 1 5 . 1 1 102 102 ILE CA C 102 61.260 61.260 61.637 -0.377 19007 2747 1 5 . 1 1 102 102 ILE CB C 102 38.790 38.790 39.437 -0.647 19007 2748 1 5 . 1 1 102 102 ILE H H 102 8.240 8.240 7.875 0.365 19007 2749 1 5 . 1 1 103 103 ARG N N 103 125.780 125.780 127.127 -1.347 19007 2750 1 5 . 1 1 103 103 ARG HA H 103 4.369 4.369 4.709 -0.340 19007 2751 1 5 . 1 1 103 103 ARG C C 103 175.752 175.752 175.156 0.596 19007 2752 1 5 . 1 1 103 103 ARG CA C 103 55.940 55.940 55.423 0.516 19007 2753 1 5 . 1 1 103 103 ARG CB C 103 31.340 31.340 32.209 -0.869 19007 2754 1 5 . 1 1 103 103 ARG H H 103 8.400 8.400 8.392 0.008 19007 2755 1 5 . 1 1 104 104 GLU N N 104 123.840 123.840 120.143 3.697 19007 2756 1 5 . 1 1 104 104 GLU HA H 104 4.296 4.296 4.448 -0.152 19007 2757 1 5 . 1 1 104 104 GLU C C 104 175.314 175.314 175.826 -0.512 19007 2758 1 5 . 1 1 104 104 GLU CA C 104 56.430 56.430 56.278 0.152 19007 2759 1 5 . 1 1 104 104 GLU CB C 104 30.560 30.560 30.087 0.473 19007 2760 1 5 . 1 1 104 104 GLU H H 104 8.510 8.510 8.790 -0.280 19007 2761 1 6 . 1 1 6 6 THR HA H 6 4.321 4.321 4.150 0.171 19007 2762 1 6 . 1 1 6 6 THR C C 6 174.339 174.339 174.686 -0.347 19007 2763 1 6 . 1 1 6 6 THR CA C 6 62.139 62.139 63.923 -1.784 19007 2764 1 6 . 1 1 6 6 THR CB C 6 69.788 69.788 69.414 0.374 19007 2765 1 6 . 1 1 7 7 LYS N N 7 124.350 124.350 120.183 4.167 19007 2766 1 6 . 1 1 7 7 LYS HA H 7 4.265 4.265 4.437 -0.172 19007 2767 1 6 . 1 1 7 7 LYS C C 7 176.341 176.341 173.958 2.383 19007 2768 1 6 . 1 1 7 7 LYS CA C 7 56.980 56.980 55.508 1.472 19007 2769 1 6 . 1 1 7 7 LYS CB C 7 33.110 33.110 34.334 -1.224 19007 2770 1 6 . 1 1 7 7 LYS H H 7 8.320 8.320 7.604 0.716 19007 2771 1 6 . 1 1 8 8 LYS N N 8 123.170 123.170 120.583 2.587 19007 2772 1 6 . 1 1 8 8 LYS HA H 8 4.253 4.253 4.633 -0.380 19007 2773 1 6 . 1 1 8 8 LYS C C 8 176.083 176.083 176.346 -0.263 19007 2774 1 6 . 1 1 8 8 LYS CA C 8 56.450 56.450 55.556 0.894 19007 2775 1 6 . 1 1 8 8 LYS CB C 8 33.480 33.480 34.404 -0.924 19007 2776 1 6 . 1 1 8 8 LYS H H 8 8.340 8.340 8.088 0.252 19007 2777 1 6 . 1 1 9 9 GLN N N 9 123.010 123.010 118.850 4.160 19007 2778 1 6 . 1 1 9 9 GLN HA H 9 4.289 4.289 4.476 -0.187 19007 2779 1 6 . 1 1 9 9 GLN C C 9 174.914 174.914 175.287 -0.373 19007 2780 1 6 . 1 1 9 9 GLN CA C 9 56.520 56.520 57.029 -0.509 19007 2781 1 6 . 1 1 9 9 GLN CB C 9 30.790 30.790 29.479 1.311 19007 2782 1 6 . 1 1 9 9 GLN H H 9 8.440 8.440 8.596 -0.156 19007 2783 1 6 . 1 1 10 10 GLN N N 10 121.180 121.180 119.497 1.683 19007 2784 1 6 . 1 1 10 10 GLN HA H 10 4.769 4.769 4.445 0.324 19007 2785 1 6 . 1 1 10 10 GLN C C 10 175.865 175.865 175.175 0.690 19007 2786 1 6 . 1 1 10 10 GLN CA C 10 55.580 55.580 54.723 0.857 19007 2787 1 6 . 1 1 10 10 GLN CB C 10 29.630 29.630 29.559 0.071 19007 2788 1 6 . 1 1 10 10 GLN H H 10 8.170 8.170 7.925 0.245 19007 2789 1 6 . 1 1 11 11 TYR N N 11 120.110 120.110 119.435 0.675 19007 2790 1 6 . 1 1 11 11 TYR HA H 11 4.769 4.769 4.804 -0.035 19007 2791 1 6 . 1 1 11 11 TYR C C 11 174.319 174.319 173.014 1.305 19007 2792 1 6 . 1 1 11 11 TYR CA C 11 58.490 58.490 56.656 1.834 19007 2793 1 6 . 1 1 11 11 TYR CB C 11 39.350 39.350 39.665 -0.315 19007 2794 1 6 . 1 1 11 11 TYR H H 11 8.470 8.470 8.100 0.370 19007 2795 1 6 . 1 1 12 12 VAL N N 12 117.030 117.030 121.120 -4.090 19007 2796 1 6 . 1 1 12 12 VAL HA H 12 4.793 4.793 5.212 -0.419 19007 2797 1 6 . 1 1 12 12 VAL C C 12 174.636 174.636 174.126 0.510 19007 2798 1 6 . 1 1 12 12 VAL CA C 12 60.730 60.730 60.714 0.016 19007 2799 1 6 . 1 1 12 12 VAL CB C 12 34.790 34.790 35.596 -0.806 19007 2800 1 6 . 1 1 12 12 VAL H H 12 7.590 7.590 8.415 -0.825 19007 2801 1 6 . 1 1 13 13 THR N N 13 121.770 121.770 123.059 -1.289 19007 2802 1 6 . 1 1 13 13 THR HA H 13 4.615 4.615 4.744 -0.129 19007 2803 1 6 . 1 1 13 13 THR C C 13 173.030 173.030 172.213 0.817 19007 2804 1 6 . 1 1 13 13 THR CA C 13 61.540 61.540 61.583 -0.043 19007 2805 1 6 . 1 1 13 13 THR CB C 13 71.050 71.050 70.534 0.516 19007 2806 1 6 . 1 1 13 13 THR H H 13 8.620 8.620 9.061 -0.441 19007 2807 1 6 . 1 1 14 14 ILE N N 14 126.190 126.190 127.426 -1.236 19007 2808 1 6 . 1 1 14 14 ILE HA H 14 4.781 4.781 4.668 0.113 19007 2809 1 6 . 1 1 14 14 ILE C C 14 175.112 175.112 174.484 0.628 19007 2810 1 6 . 1 1 14 14 ILE CA C 14 61.120 61.120 60.354 0.766 19007 2811 1 6 . 1 1 14 14 ILE CB C 14 40.340 40.340 40.547 -0.207 19007 2812 1 6 . 1 1 14 14 ILE H H 14 8.890 8.890 8.549 0.341 19007 2813 1 6 . 1 1 15 15 LYS N N 15 127.020 127.020 128.368 -1.348 19007 2814 1 6 . 1 1 15 15 LYS HA H 15 4.734 4.734 4.730 0.004 19007 2815 1 6 . 1 1 15 15 LYS C C 15 175.409 175.409 174.911 0.498 19007 2816 1 6 . 1 1 15 15 LYS CA C 15 54.740 54.740 55.260 -0.520 19007 2817 1 6 . 1 1 15 15 LYS CB C 15 35.430 35.430 35.186 0.244 19007 2818 1 6 . 1 1 15 15 LYS H H 15 8.850 8.850 9.101 -0.251 19007 2819 1 6 . 1 1 16 16 GLY N N 16 112.120 112.120 112.950 -0.830 19007 2820 1 6 . 1 1 16 16 GLY C C 16 172.566 172.566 173.555 -0.989 19007 2821 1 6 . 1 1 16 16 GLY CA C 16 45.560 45.560 45.623 -0.063 19007 2822 1 6 . 1 1 16 16 GLY H H 16 8.870 8.870 8.866 0.004 19007 2823 1 6 . 1 1 17 17 THR N N 17 114.520 114.520 110.731 3.789 19007 2824 1 6 . 1 1 17 17 THR HA H 17 4.753 4.753 4.335 0.418 19007 2825 1 6 . 1 1 17 17 THR CA C 17 60.360 60.360 63.355 -2.995 19007 2826 1 6 . 1 1 17 17 THR CB C 17 72.040 72.040 68.908 3.132 19007 2827 1 6 . 1 1 17 17 THR H H 17 8.380 8.380 8.237 0.143 19007 2828 1 6 . 1 1 19 19 ASN HA H 19 4.778 4.778 5.167 -0.389 19007 2829 1 6 . 1 1 19 19 ASN C C 19 174.616 174.616 176.167 -1.551 19007 2830 1 6 . 1 1 19 19 ASN CA C 19 53.700 53.700 51.948 1.752 19007 2831 1 6 . 1 1 19 19 ASN CB C 19 39.018 39.018 41.698 -2.680 19007 2832 1 6 . 1 1 20 20 GLY N N 20 108.600 108.600 108.861 -0.261 19007 2833 1 6 . 1 1 20 20 GLY C C 20 172.297 172.297 173.800 -1.503 19007 2834 1 6 . 1 1 20 20 GLY CA C 20 46.310 46.310 46.730 -0.420 19007 2835 1 6 . 1 1 20 20 GLY H H 20 7.590 7.590 8.537 -0.947 19007 2836 1 6 . 1 1 21 21 LEU N N 21 123.210 123.210 120.019 3.191 19007 2837 1 6 . 1 1 21 21 LEU HA H 21 5.015 5.015 4.766 0.249 19007 2838 1 6 . 1 1 21 21 LEU C C 21 176.202 176.202 174.292 1.910 19007 2839 1 6 . 1 1 21 21 LEU CA C 21 54.090 54.090 55.512 -1.422 19007 2840 1 6 . 1 1 21 21 LEU CB C 21 45.940 45.940 44.310 1.630 19007 2841 1 6 . 1 1 21 21 LEU H H 21 8.760 8.760 8.112 0.648 19007 2842 1 6 . 1 1 22 22 THR N N 22 120.430 120.430 123.715 -3.285 19007 2843 1 6 . 1 1 22 22 THR HA H 22 5.191 5.191 4.710 0.481 19007 2844 1 6 . 1 1 22 22 THR C C 22 172.852 172.852 173.337 -0.485 19007 2845 1 6 . 1 1 22 22 THR CA C 22 61.850 61.850 61.734 0.116 19007 2846 1 6 . 1 1 22 22 THR CB C 22 69.800 69.800 68.707 1.094 19007 2847 1 6 . 1 1 22 22 THR H H 22 9.150 9.150 9.140 0.010 19007 2848 1 6 . 1 1 23 23 LEU N N 23 127.110 127.110 123.033 4.077 19007 2849 1 6 . 1 1 23 23 LEU HA H 23 4.910 4.910 5.686 -0.776 19007 2850 1 6 . 1 1 23 23 LEU C C 23 174.200 174.200 174.811 -0.611 19007 2851 1 6 . 1 1 23 23 LEU CA C 23 52.770 52.770 52.886 -0.116 19007 2852 1 6 . 1 1 23 23 LEU CB C 23 44.220 44.220 45.794 -1.574 19007 2853 1 6 . 1 1 23 23 LEU H H 23 8.870 8.870 8.356 0.514 19007 2854 1 6 . 1 1 24 24 HIS N N 24 124.600 124.600 120.948 3.652 19007 2855 1 6 . 1 1 24 24 HIS HA H 24 4.875 4.875 5.567 -0.692 19007 2856 1 6 . 1 1 24 24 HIS C C 24 174.033 174.033 172.873 1.160 19007 2857 1 6 . 1 1 24 24 HIS CA C 24 56.000 56.000 54.794 1.206 19007 2858 1 6 . 1 1 24 24 HIS CB C 24 30.400 30.400 33.888 -3.488 19007 2859 1 6 . 1 1 24 24 HIS H H 24 9.160 9.160 9.108 0.052 19007 2860 1 6 . 1 1 25 25 LEU N N 25 125.950 125.950 128.475 -2.525 19007 2861 1 6 . 1 1 25 25 LEU HA H 25 4.382 4.382 4.892 -0.510 19007 2862 1 6 . 1 1 25 25 LEU C C 25 175.806 175.806 173.804 2.002 19007 2863 1 6 . 1 1 25 25 LEU CA C 25 53.250 53.250 53.302 -0.052 19007 2864 1 6 . 1 1 25 25 LEU CB C 25 41.030 41.030 46.612 -5.582 19007 2865 1 6 . 1 1 25 25 LEU H H 25 8.420 8.420 8.309 0.111 19007 2866 1 6 . 1 1 26 26 ASP N N 26 126.170 126.170 124.525 1.645 19007 2867 1 6 . 1 1 26 26 ASP HA H 26 4.344 4.344 5.116 -0.772 19007 2868 1 6 . 1 1 26 26 ASP C C 26 176.302 176.302 174.014 2.288 19007 2869 1 6 . 1 1 26 26 ASP CA C 26 56.480 56.480 53.510 2.970 19007 2870 1 6 . 1 1 26 26 ASP CB C 26 43.880 43.880 41.802 2.078 19007 2871 1 6 . 1 1 26 26 ASP H H 26 8.630 8.630 8.116 0.514 19007 2872 1 6 . 1 1 27 27 ASP N N 27 122.430 122.430 121.000 1.430 19007 2873 1 6 . 1 1 27 27 ASP HA H 27 4.540 4.540 4.649 -0.109 19007 2874 1 6 . 1 1 27 27 ASP C C 27 176.381 176.381 174.387 1.994 19007 2875 1 6 . 1 1 27 27 ASP CA C 27 54.060 54.060 53.419 0.641 19007 2876 1 6 . 1 1 27 27 ASP CB C 27 40.820 40.820 44.150 -3.330 19007 2877 1 6 . 1 1 27 27 ASP H H 27 8.150 8.150 7.762 0.388 19007 2878 1 6 . 1 1 28 28 ALA N N 28 123.520 123.520 126.003 -2.483 19007 2879 1 6 . 1 1 28 28 ALA HA H 28 4.600 4.600 4.709 -0.109 19007 2880 1 6 . 1 1 28 28 ALA C C 28 178.324 178.324 177.723 0.601 19007 2881 1 6 . 1 1 28 28 ALA CA C 28 52.860 52.860 51.133 1.727 19007 2882 1 6 . 1 1 28 28 ALA CB C 28 20.790 20.790 21.265 -0.475 19007 2883 1 6 . 1 1 28 28 ALA H H 28 8.480 8.480 8.393 0.086 19007 2884 1 6 . 1 1 29 29 CYS N N 29 115.580 115.580 115.238 0.342 19007 2885 1 6 . 1 1 29 29 CYS HA H 29 4.680 4.680 4.169 0.511 19007 2886 1 6 . 1 1 29 29 CYS C C 29 174.696 174.696 173.927 0.769 19007 2887 1 6 . 1 1 29 29 CYS CA C 29 56.060 56.060 59.425 -3.365 19007 2888 1 6 . 1 1 29 29 CYS CB C 29 29.050 29.050 26.027 3.023 19007 2889 1 6 . 1 1 29 29 CYS H H 29 7.510 7.510 8.739 -1.229 19007 2890 1 6 . 1 1 30 30 SER N N 30 119.090 119.090 115.033 4.057 19007 2891 1 6 . 1 1 30 30 SER HA H 30 4.500 4.500 4.400 0.100 19007 2892 1 6 . 1 1 30 30 SER CA C 30 58.370 58.370 57.151 1.219 19007 2893 1 6 . 1 1 30 30 SER CB C 30 64.170 64.170 64.878 -0.708 19007 2894 1 6 . 1 1 30 30 SER H H 30 9.170 9.170 7.524 1.646 19007 2895 1 6 . 1 1 31 31 PHE HA H 31 4.041 4.041 4.833 -0.792 19007 2896 1 6 . 1 1 31 31 PHE C C 31 176.440 176.440 175.858 0.582 19007 2897 1 6 . 1 1 31 31 PHE CA C 31 62.491 62.491 56.749 5.742 19007 2898 1 6 . 1 1 31 31 PHE CB C 31 39.018 39.018 39.757 -0.739 19007 2899 1 6 . 1 1 32 32 ASP N N 32 116.020 116.020 120.238 -4.218 19007 2900 1 6 . 1 1 32 32 ASP HA H 32 4.139 4.139 4.653 -0.514 19007 2901 1 6 . 1 1 32 32 ASP C C 32 178.978 178.978 176.898 2.080 19007 2902 1 6 . 1 1 32 32 ASP CA C 32 57.670 57.670 53.977 3.693 19007 2903 1 6 . 1 1 32 32 ASP CB C 32 40.290 40.290 40.331 -0.041 19007 2904 1 6 . 1 1 32 32 ASP H H 32 8.370 8.370 8.902 -0.532 19007 2905 1 6 . 1 1 33 33 GLU N N 33 120.170 120.170 120.765 -0.595 19007 2906 1 6 . 1 1 33 33 GLU HA H 33 4.149 4.149 4.080 0.069 19007 2907 1 6 . 1 1 33 33 GLU C C 33 179.256 179.256 178.176 1.080 19007 2908 1 6 . 1 1 33 33 GLU CA C 33 58.810 58.810 58.888 -0.078 19007 2909 1 6 . 1 1 33 33 GLU CB C 33 29.510 29.510 29.004 0.506 19007 2910 1 6 . 1 1 33 33 GLU H H 33 7.560 7.560 8.980 -1.420 19007 2911 1 6 . 1 1 34 34 LEU N N 34 121.930 121.930 118.317 3.613 19007 2912 1 6 . 1 1 34 34 LEU HA H 34 3.755 3.755 4.258 -0.503 19007 2913 1 6 . 1 1 34 34 LEU C C 34 178.205 178.205 178.497 -0.292 19007 2914 1 6 . 1 1 34 34 LEU CA C 34 57.910 57.910 56.156 1.754 19007 2915 1 6 . 1 1 34 34 LEU CB C 34 41.980 41.980 41.829 0.151 19007 2916 1 6 . 1 1 34 34 LEU H H 34 7.730 7.730 8.139 -0.409 19007 2917 1 6 . 1 1 35 35 LEU N N 35 118.190 118.190 120.928 -2.738 19007 2918 1 6 . 1 1 35 35 LEU HA H 35 3.575 3.575 4.323 -0.748 19007 2919 1 6 . 1 1 35 35 LEU C C 35 179.295 179.295 178.131 1.164 19007 2920 1 6 . 1 1 35 35 LEU CA C 35 57.990 57.990 57.310 0.680 19007 2921 1 6 . 1 1 35 35 LEU CB C 35 40.900 40.900 42.751 -1.851 19007 2922 1 6 . 1 1 35 35 LEU H H 35 7.880 7.880 7.644 0.236 19007 2923 1 6 . 1 1 36 36 ASP N N 36 118.760 118.760 119.270 -0.510 19007 2924 1 6 . 1 1 36 36 ASP HA H 36 4.308 4.308 4.434 -0.126 19007 2925 1 6 . 1 1 36 36 ASP C C 36 178.819 178.819 178.771 0.048 19007 2926 1 6 . 1 1 36 36 ASP CA C 36 57.570 57.570 57.282 0.288 19007 2927 1 6 . 1 1 36 36 ASP CB C 36 41.500 41.500 40.590 0.910 19007 2928 1 6 . 1 1 36 36 ASP H H 36 7.580 7.580 8.754 -1.174 19007 2929 1 6 . 1 1 37 37 GLY N N 37 107.520 107.520 108.305 -0.785 19007 2930 1 6 . 1 1 37 37 GLY C C 37 176.678 176.678 175.593 1.085 19007 2931 1 6 . 1 1 37 37 GLY CA C 37 47.340 47.340 47.457 -0.117 19007 2932 1 6 . 1 1 37 37 GLY H H 37 8.210 8.210 7.974 0.236 19007 2933 1 6 . 1 1 38 38 LEU N N 38 123.680 123.680 120.983 2.697 19007 2934 1 6 . 1 1 38 38 LEU HA H 38 4.007 4.007 4.322 -0.315 19007 2935 1 6 . 1 1 38 38 LEU C C 38 177.769 177.769 178.542 -0.773 19007 2936 1 6 . 1 1 38 38 LEU CA C 38 57.970 57.970 57.229 0.741 19007 2937 1 6 . 1 1 38 38 LEU CB C 38 42.250 42.250 41.937 0.313 19007 2938 1 6 . 1 1 38 38 LEU H H 38 8.800 8.800 7.485 1.315 19007 2939 1 6 . 1 1 39 39 GLN N N 39 118.840 118.840 120.282 -1.442 19007 2940 1 6 . 1 1 39 39 GLN HA H 39 3.887 3.887 3.939 -0.052 19007 2941 1 6 . 1 1 39 39 GLN C C 39 178.443 178.443 178.387 0.056 19007 2942 1 6 . 1 1 39 39 GLN CA C 39 59.450 59.450 59.327 0.124 19007 2943 1 6 . 1 1 39 39 GLN CB C 39 28.400 28.400 28.383 0.017 19007 2944 1 6 . 1 1 39 39 GLN H H 39 8.460 8.460 8.220 0.240 19007 2945 1 6 . 1 1 40 40 ASN N N 40 116.110 116.110 116.646 -0.536 19007 2946 1 6 . 1 1 40 40 ASN HA H 40 4.488 4.488 4.650 -0.162 19007 2947 1 6 . 1 1 40 40 ASN C C 40 177.491 177.491 176.722 0.769 19007 2948 1 6 . 1 1 40 40 ASN CA C 40 56.330 56.330 55.284 1.046 19007 2949 1 6 . 1 1 40 40 ASN CB C 40 39.230 39.230 38.761 0.469 19007 2950 1 6 . 1 1 40 40 ASN H H 40 7.810 7.810 8.445 -0.635 19007 2951 1 6 . 1 1 41 41 MET N N 41 119.840 119.840 119.780 0.060 19007 2952 1 6 . 1 1 41 41 MET HA H 41 4.344 4.344 4.422 -0.078 19007 2953 1 6 . 1 1 41 41 MET C C 41 177.551 177.551 177.176 0.375 19007 2954 1 6 . 1 1 41 41 MET CA C 41 58.140 58.140 58.537 -0.397 19007 2955 1 6 . 1 1 41 41 MET CB C 41 32.600 32.600 33.398 -0.798 19007 2956 1 6 . 1 1 41 41 MET H H 41 8.060 8.060 7.201 0.859 19007 2957 1 6 . 1 1 42 42 LEU N N 42 116.680 116.680 119.569 -2.889 19007 2958 1 6 . 1 1 42 42 LEU HA H 42 4.236 4.236 3.920 0.316 19007 2959 1 6 . 1 1 42 42 LEU C C 42 177.055 177.055 179.132 -2.077 19007 2960 1 6 . 1 1 42 42 LEU CA C 42 55.850 55.850 58.268 -2.418 19007 2961 1 6 . 1 1 42 42 LEU CB C 42 41.490 41.490 41.245 0.245 19007 2962 1 6 . 1 1 42 42 LEU H H 42 8.280 8.280 8.798 -0.518 19007 2963 1 6 . 1 1 43 43 SER N N 43 113.420 113.420 114.222 -0.802 19007 2964 1 6 . 1 1 43 43 SER HA H 43 4.452 4.452 4.172 0.280 19007 2965 1 6 . 1 1 43 43 SER C C 43 174.755 174.755 175.770 -1.015 19007 2966 1 6 . 1 1 43 43 SER CA C 43 59.340 59.340 61.444 -2.104 19007 2967 1 6 . 1 1 43 43 SER CB C 43 63.580 63.580 62.992 0.588 19007 2968 1 6 . 1 1 43 43 SER H H 43 7.650 7.650 7.720 -0.070 19007 2969 1 6 . 1 1 44 44 ILE N N 44 120.390 120.390 120.352 0.038 19007 2970 1 6 . 1 1 44 44 ILE HA H 44 4.188 4.188 4.062 0.126 19007 2971 1 6 . 1 1 44 44 ILE C C 44 176.440 176.440 177.594 -1.154 19007 2972 1 6 . 1 1 44 44 ILE CA C 44 61.500 61.500 63.155 -1.655 19007 2973 1 6 . 1 1 44 44 ILE CB C 44 38.640 38.640 38.270 0.370 19007 2974 1 6 . 1 1 44 44 ILE H H 44 7.590 7.590 7.348 0.242 19007 2975 1 6 . 1 1 45 45 GLU N N 45 118.850 118.850 120.269 -1.419 19007 2976 1 6 . 1 1 45 45 GLU HA H 45 4.272 4.272 4.147 0.125 19007 2977 1 6 . 1 1 45 45 GLU C C 45 176.698 176.698 176.790 -0.092 19007 2978 1 6 . 1 1 45 45 GLU CA C 45 61.950 61.950 58.572 3.378 19007 2979 1 6 . 1 1 45 45 GLU CB C 45 29.840 29.840 30.746 -0.906 19007 2980 1 6 . 1 1 45 45 GLU H H 45 8.200 8.200 7.933 0.267 19007 2981 1 6 . 1 1 46 46 GLN N N 46 118.260 118.260 117.601 0.659 19007 2982 1 6 . 1 1 46 46 GLN HA H 46 4.212 4.212 4.401 -0.189 19007 2983 1 6 . 1 1 46 46 GLN C C 46 176.361 176.361 173.678 2.683 19007 2984 1 6 . 1 1 46 46 GLN CA C 46 56.770 56.770 56.138 0.632 19007 2985 1 6 . 1 1 46 46 GLN CB C 46 28.920 28.920 30.204 -1.284 19007 2986 1 6 . 1 1 46 46 GLN H H 46 8.270 8.270 8.245 0.025 19007 2987 1 6 . 1 1 47 47 TYR N N 47 117.690 117.690 120.472 -2.782 19007 2988 1 6 . 1 1 47 47 TYR HA H 47 4.701 4.701 4.941 -0.240 19007 2989 1 6 . 1 1 47 47 TYR C C 47 175.588 175.588 174.772 0.816 19007 2990 1 6 . 1 1 47 47 TYR CA C 47 58.290 58.290 55.539 2.751 19007 2991 1 6 . 1 1 47 47 TYR CB C 47 39.250 39.250 38.551 0.699 19007 2992 1 6 . 1 1 47 47 TYR H H 47 7.980 7.980 8.271 -0.291 19007 2993 1 6 . 1 1 48 48 THR N N 48 108.930 108.930 117.014 -8.084 19007 2994 1 6 . 1 1 48 48 THR HA H 48 4.464 4.464 4.054 0.410 19007 2995 1 6 . 1 1 48 48 THR C C 48 176.381 176.381 173.824 2.557 19007 2996 1 6 . 1 1 48 48 THR CA C 48 61.150 61.150 62.339 -1.189 19007 2997 1 6 . 1 1 48 48 THR CB C 48 70.190 70.190 68.659 1.530 19007 2998 1 6 . 1 1 48 48 THR H H 48 7.570 7.570 7.380 0.190 19007 2999 1 6 . 1 1 49 49 ASP N N 49 121.350 121.350 125.975 -4.625 19007 3000 1 6 . 1 1 49 49 ASP HA H 49 4.752 4.752 4.824 -0.072 19007 3001 1 6 . 1 1 49 49 ASP C C 49 177.015 177.015 176.553 0.462 19007 3002 1 6 . 1 1 49 49 ASP CA C 49 53.710 53.710 52.816 0.894 19007 3003 1 6 . 1 1 49 49 ASP CB C 49 41.200 41.200 43.461 -2.261 19007 3004 1 6 . 1 1 49 49 ASP H H 49 8.100 8.100 7.838 0.262 19007 3005 1 6 . 1 1 50 50 GLY N N 50 112.360 112.360 110.068 2.292 19007 3006 1 6 . 1 1 50 50 GLY C C 50 175.449 175.449 175.638 -0.189 19007 3007 1 6 . 1 1 50 50 GLY CA C 50 46.000 46.000 46.302 -0.302 19007 3008 1 6 . 1 1 50 50 GLY H H 50 9.080 9.080 8.697 0.383 19007 3009 1 6 . 1 1 51 51 LYS N N 51 119.510 119.510 119.627 -0.117 19007 3010 1 6 . 1 1 51 51 LYS HA H 51 4.200 4.200 4.454 -0.254 19007 3011 1 6 . 1 1 51 51 LYS C C 51 177.214 177.214 176.025 1.189 19007 3012 1 6 . 1 1 51 51 LYS CA C 51 56.540 56.540 55.346 1.194 19007 3013 1 6 . 1 1 51 51 LYS CB C 51 31.420 31.420 32.537 -1.117 19007 3014 1 6 . 1 1 51 51 LYS H H 51 8.590 8.590 8.474 0.116 19007 3015 1 6 . 1 1 52 52 GLY N N 52 108.180 108.180 109.930 -1.750 19007 3016 1 6 . 1 1 52 52 GLY C C 52 174.279 174.279 173.917 0.362 19007 3017 1 6 . 1 1 52 52 GLY CA C 52 45.450 45.450 44.772 0.678 19007 3018 1 6 . 1 1 52 52 GLY H H 52 8.670 8.670 7.468 1.202 19007 3019 1 6 . 1 1 53 53 GLN N N 53 120.010 120.010 121.879 -1.869 19007 3020 1 6 . 1 1 53 53 GLN HA H 53 4.440 4.440 4.271 0.169 19007 3021 1 6 . 1 1 53 53 GLN C C 53 175.001 175.001 175.433 -0.432 19007 3022 1 6 . 1 1 53 53 GLN CA C 53 54.580 54.580 55.541 -0.961 19007 3023 1 6 . 1 1 53 53 GLN CB C 53 30.330 30.330 27.912 2.418 19007 3024 1 6 . 1 1 53 53 GLN H H 53 7.860 7.860 8.510 -0.650 19007 3025 1 6 . 1 1 54 54 LYS N N 54 120.420 120.420 127.899 -7.479 19007 3026 1 6 . 1 1 54 54 LYS HA H 54 4.704 4.704 4.967 -0.263 19007 3027 1 6 . 1 1 54 54 LYS C C 54 176.753 176.753 175.605 1.148 19007 3028 1 6 . 1 1 54 54 LYS CA C 54 55.830 55.830 55.777 0.053 19007 3029 1 6 . 1 1 54 54 LYS CB C 54 33.850 33.850 33.502 0.348 19007 3030 1 6 . 1 1 54 54 LYS H H 54 8.250 8.250 8.236 0.014 19007 3031 1 6 . 1 1 55 55 ILE N N 55 125.360 125.360 130.643 -5.283 19007 3032 1 6 . 1 1 55 55 ILE HA H 55 4.169 4.169 4.812 -0.643 19007 3033 1 6 . 1 1 55 55 ILE C C 55 174.405 174.405 174.625 -0.220 19007 3034 1 6 . 1 1 55 55 ILE CA C 55 60.350 60.350 60.539 -0.190 19007 3035 1 6 . 1 1 55 55 ILE CB C 55 39.690 39.690 38.356 1.334 19007 3036 1 6 . 1 1 55 55 ILE H H 55 9.050 9.050 9.368 -0.318 19007 3037 1 6 . 1 1 56 56 SER N N 56 121.850 121.850 124.676 -2.826 19007 3038 1 6 . 1 1 56 56 SER HA H 56 4.480 4.480 5.240 -0.760 19007 3039 1 6 . 1 1 56 56 SER C C 56 174.105 174.105 173.367 0.738 19007 3040 1 6 . 1 1 56 56 SER CA C 56 57.410 57.410 56.141 1.269 19007 3041 1 6 . 1 1 56 56 SER CB C 56 64.080 64.080 63.583 0.497 19007 3042 1 6 . 1 1 56 56 SER H H 56 8.330 8.330 9.077 -0.747 19007 3043 1 6 . 1 1 57 57 VAL N N 57 123.190 123.190 127.456 -4.266 19007 3044 1 6 . 1 1 57 57 VAL HA H 57 4.861 4.861 4.131 0.730 19007 3045 1 6 . 1 1 57 57 VAL C C 57 174.869 174.869 174.756 0.113 19007 3046 1 6 . 1 1 57 57 VAL CA C 57 61.130 61.130 62.362 -1.232 19007 3047 1 6 . 1 1 57 57 VAL CB C 57 33.600 33.600 30.723 2.877 19007 3048 1 6 . 1 1 57 57 VAL H H 57 8.680 8.680 8.869 -0.189 19007 3049 1 6 . 1 1 58 58 HIS N N 58 129.590 129.590 127.113 2.477 19007 3050 1 6 . 1 1 58 58 HIS HA H 58 5.076 5.076 4.902 0.174 19007 3051 1 6 . 1 1 58 58 HIS C C 58 174.351 174.351 174.876 -0.525 19007 3052 1 6 . 1 1 58 58 HIS CA C 58 54.420 54.420 54.240 0.180 19007 3053 1 6 . 1 1 58 58 HIS CB C 58 31.720 31.720 28.893 2.827 19007 3054 1 6 . 1 1 58 58 HIS H H 58 9.050 9.050 8.315 0.735 19007 3055 1 6 . 1 1 59 59 VAL N N 59 125.260 125.260 120.522 4.738 19007 3056 1 6 . 1 1 59 59 VAL HA H 59 4.408 4.408 4.420 -0.012 19007 3057 1 6 . 1 1 59 59 VAL C C 59 174.460 174.460 175.380 -0.920 19007 3058 1 6 . 1 1 59 59 VAL CA C 59 62.370 62.370 60.708 1.662 19007 3059 1 6 . 1 1 59 59 VAL CB C 59 32.760 32.760 30.530 2.230 19007 3060 1 6 . 1 1 59 59 VAL H H 59 8.800 8.800 8.242 0.558 19007 3061 1 6 . 1 1 60 60 LYS N N 60 128.520 128.520 126.212 2.308 19007 3062 1 6 . 1 1 60 60 LYS HA H 60 4.909 4.909 4.437 0.472 19007 3063 1 6 . 1 1 60 60 LYS C C 60 175.825 175.825 176.181 -0.356 19007 3064 1 6 . 1 1 60 60 LYS CA C 60 54.450 54.450 54.836 -0.386 19007 3065 1 6 . 1 1 60 60 LYS CB C 60 32.490 32.490 30.498 1.992 19007 3066 1 6 . 1 1 60 60 LYS H H 60 9.040 9.040 7.984 1.056 19007 3067 1 6 . 1 1 61 61 LEU N N 61 121.430 121.430 120.425 1.005 19007 3068 1 6 . 1 1 61 61 LEU HA H 61 4.527 4.527 4.243 0.284 19007 3069 1 6 . 1 1 61 61 LEU C C 61 178.910 178.910 177.779 1.131 19007 3070 1 6 . 1 1 61 61 LEU CA C 61 54.410 54.410 56.579 -2.169 19007 3071 1 6 . 1 1 61 61 LEU CB C 61 44.330 44.330 42.565 1.765 19007 3072 1 6 . 1 1 61 61 LEU H H 61 8.700 8.700 8.004 0.697 19007 3073 1 6 . 1 1 62 62 GLY N N 62 110.520 110.520 103.206 7.314 19007 3074 1 6 . 1 1 62 62 GLY C C 62 175.350 175.350 174.590 0.760 19007 3075 1 6 . 1 1 62 62 GLY CA C 62 46.710 46.710 44.599 2.111 19007 3076 1 6 . 1 1 62 62 GLY H H 62 9.060 9.060 7.678 1.382 19007 3077 1 6 . 1 1 63 63 ASN N N 63 127.090 127.090 122.516 4.574 19007 3078 1 6 . 1 1 63 63 ASN HA H 63 4.778 4.778 4.568 0.210 19007 3079 1 6 . 1 1 63 63 ASN C C 63 174.214 174.214 175.408 -1.194 19007 3080 1 6 . 1 1 63 63 ASN CA C 63 52.910 52.910 53.435 -0.525 19007 3081 1 6 . 1 1 63 63 ASN CB C 63 38.100 38.100 36.900 1.200 19007 3082 1 6 . 1 1 63 63 ASN H H 63 10.390 10.390 8.757 1.633 19007 3083 1 6 . 1 1 64 64 ARG N N 64 121.850 121.850 119.732 2.118 19007 3084 1 6 . 1 1 64 64 ARG HA H 64 4.265 4.265 4.276 -0.011 19007 3085 1 6 . 1 1 64 64 ARG C C 64 174.214 174.214 176.827 -2.613 19007 3086 1 6 . 1 1 64 64 ARG CA C 64 56.330 56.330 56.257 0.073 19007 3087 1 6 . 1 1 64 64 ARG CB C 64 33.860 33.860 30.070 3.790 19007 3088 1 6 . 1 1 64 64 ARG H H 64 7.520 7.520 7.675 -0.155 19007 3089 1 6 . 1 1 65 65 PHE N N 65 127.760 127.760 119.191 8.569 19007 3090 1 6 . 1 1 65 65 PHE HA H 65 4.503 4.503 4.057 0.446 19007 3091 1 6 . 1 1 65 65 PHE C C 65 176.508 176.508 173.895 2.613 19007 3092 1 6 . 1 1 65 65 PHE CA C 65 56.760 56.760 58.409 -1.649 19007 3093 1 6 . 1 1 65 65 PHE CB C 65 40.430 40.430 37.841 2.589 19007 3094 1 6 . 1 1 65 65 PHE H H 65 8.580 8.580 7.451 1.129 19007 3095 1 6 . 1 1 66 66 LEU N N 66 125.260 125.260 124.021 1.239 19007 3096 1 6 . 1 1 66 66 LEU HA H 66 4.288 4.288 4.409 -0.121 19007 3097 1 6 . 1 1 66 66 LEU C C 66 176.508 176.508 175.511 0.997 19007 3098 1 6 . 1 1 66 66 LEU CA C 66 53.080 53.080 53.791 -0.711 19007 3099 1 6 . 1 1 66 66 LEU CB C 66 43.170 43.170 44.060 -0.890 19007 3100 1 6 . 1 1 66 66 LEU H H 66 8.040 8.040 7.922 0.118 19007 3101 1 6 . 1 1 67 67 TYR N N 67 120.480 120.480 122.109 -1.629 19007 3102 1 6 . 1 1 67 67 TYR HA H 67 4.515 4.515 4.564 -0.049 19007 3103 1 6 . 1 1 67 67 TYR C C 67 177.791 177.791 176.111 1.680 19007 3104 1 6 . 1 1 67 67 TYR CA C 67 58.120 58.120 56.870 1.250 19007 3105 1 6 . 1 1 67 67 TYR CB C 67 39.320 39.320 37.616 1.704 19007 3106 1 6 . 1 1 67 67 TYR H H 67 7.880 7.880 8.532 -0.652 19007 3107 1 6 . 1 1 68 68 LYS N N 68 125.020 125.020 123.815 1.205 19007 3108 1 6 . 1 1 68 68 LYS HA H 68 4.034 4.034 4.344 -0.310 19007 3109 1 6 . 1 1 68 68 LYS C C 68 178.364 178.364 177.671 0.693 19007 3110 1 6 . 1 1 68 68 LYS CA C 68 60.130 60.130 58.595 1.535 19007 3111 1 6 . 1 1 68 68 LYS CB C 68 32.150 32.150 32.256 -0.106 19007 3112 1 6 . 1 1 68 68 LYS H H 68 9.120 9.120 8.491 0.629 19007 3113 1 6 . 1 1 69 69 GLU N N 69 116.430 116.430 118.999 -2.569 19007 3114 1 6 . 1 1 69 69 GLU HA H 69 4.133 4.133 4.071 0.062 19007 3115 1 6 . 1 1 69 69 GLU C C 69 179.538 179.538 178.916 0.622 19007 3116 1 6 . 1 1 69 69 GLU CA C 69 60.030 60.030 59.352 0.678 19007 3117 1 6 . 1 1 69 69 GLU CB C 69 28.560 28.560 28.224 0.336 19007 3118 1 6 . 1 1 69 69 GLU H H 69 9.460 9.460 8.564 0.896 19007 3119 1 6 . 1 1 70 70 GLN N N 70 117.670 117.670 118.812 -1.142 19007 3120 1 6 . 1 1 70 70 GLN HA H 70 4.120 4.120 4.128 -0.008 19007 3121 1 6 . 1 1 70 70 GLN C C 70 177.955 177.955 178.670 -0.715 19007 3122 1 6 . 1 1 70 70 GLN CA C 70 57.950 57.950 58.661 -0.711 19007 3123 1 6 . 1 1 70 70 GLN CB C 70 29.290 29.290 28.532 0.758 19007 3124 1 6 . 1 1 70 70 GLN H H 70 7.000 7.000 8.212 -1.212 19007 3125 1 6 . 1 1 71 71 GLU N N 71 120.850 120.850 120.197 0.653 19007 3126 1 6 . 1 1 71 71 GLU HA H 71 3.668 3.668 4.016 -0.348 19007 3127 1 6 . 1 1 71 71 GLU C C 71 179.429 179.429 179.058 0.371 19007 3128 1 6 . 1 1 71 71 GLU CA C 71 60.620 60.620 59.745 0.875 19007 3129 1 6 . 1 1 71 71 GLU CB C 71 29.660 29.660 29.403 0.257 19007 3130 1 6 . 1 1 71 71 GLU H H 71 8.080 8.080 7.753 0.327 19007 3131 1 6 . 1 1 72 72 GLU N N 72 119.670 119.670 120.856 -1.186 19007 3132 1 6 . 1 1 72 72 GLU HA H 72 4.038 4.038 3.890 0.148 19007 3133 1 6 . 1 1 72 72 GLU C C 72 178.446 178.446 178.700 -0.254 19007 3134 1 6 . 1 1 72 72 GLU CA C 72 59.690 59.690 59.905 -0.215 19007 3135 1 6 . 1 1 72 72 GLU CB C 72 29.350 29.350 29.705 -0.355 19007 3136 1 6 . 1 1 72 72 GLU H H 72 8.390 8.390 8.458 -0.068 19007 3137 1 6 . 1 1 73 73 GLN N N 73 119.030 119.030 117.834 1.196 19007 3138 1 6 . 1 1 73 73 GLN HA H 73 4.110 4.110 4.035 0.075 19007 3139 1 6 . 1 1 73 73 GLN C C 73 179.320 179.320 178.647 0.673 19007 3140 1 6 . 1 1 73 73 GLN CA C 73 59.470 59.470 58.585 0.885 19007 3141 1 6 . 1 1 73 73 GLN CB C 73 29.480 29.480 28.498 0.981 19007 3142 1 6 . 1 1 73 73 GLN H H 73 7.730 7.730 8.137 -0.407 19007 3143 1 6 . 1 1 74 74 LEU N N 74 119.760 119.760 116.526 3.234 19007 3144 1 6 . 1 1 74 74 LEU HA H 74 3.918 3.918 4.296 -0.378 19007 3145 1 6 . 1 1 74 74 LEU C C 74 177.818 177.818 179.046 -1.228 19007 3146 1 6 . 1 1 74 74 LEU CA C 74 58.720 58.720 57.440 1.280 19007 3147 1 6 . 1 1 74 74 LEU CB C 74 42.890 42.890 41.459 1.431 19007 3148 1 6 . 1 1 74 74 LEU H H 74 8.290 8.290 7.466 0.824 19007 3149 1 6 . 1 1 75 75 THR N N 75 113.520 113.520 116.816 -3.296 19007 3150 1 6 . 1 1 75 75 THR HA H 75 3.680 3.680 4.001 -0.321 19007 3151 1 6 . 1 1 75 75 THR C C 75 176.480 176.480 176.300 0.180 19007 3152 1 6 . 1 1 75 75 THR CA C 75 66.990 66.990 67.350 -0.360 19007 3153 1 6 . 1 1 75 75 THR CB C 75 68.640 68.640 68.297 0.342 19007 3154 1 6 . 1 1 75 75 THR H H 75 8.450 8.450 8.294 0.156 19007 3155 1 6 . 1 1 76 76 GLU N N 76 121.340 121.340 120.933 0.407 19007 3156 1 6 . 1 1 76 76 GLU HA H 76 4.014 4.014 4.012 0.002 19007 3157 1 6 . 1 1 76 76 GLU C C 76 178.965 178.965 178.736 0.229 19007 3158 1 6 . 1 1 76 76 GLU CA C 76 59.190 59.190 59.422 -0.233 19007 3159 1 6 . 1 1 76 76 GLU CB C 76 29.590 29.590 29.123 0.467 19007 3160 1 6 . 1 1 76 76 GLU H H 76 8.330 8.330 8.252 0.078 19007 3161 1 6 . 1 1 77 77 LEU N N 77 120.170 120.170 118.765 1.405 19007 3162 1 6 . 1 1 77 77 LEU HA H 77 3.955 3.955 4.057 -0.102 19007 3163 1 6 . 1 1 77 77 LEU C C 77 180.057 180.057 178.634 1.423 19007 3164 1 6 . 1 1 77 77 LEU CA C 77 58.510 58.510 58.153 0.357 19007 3165 1 6 . 1 1 77 77 LEU CB C 77 42.716 42.716 42.186 0.530 19007 3166 1 6 . 1 1 77 77 LEU H H 77 7.560 7.560 7.374 0.186 19007 3167 1 6 . 1 1 78 78 ILE N N 78 119.930 119.930 116.766 3.164 19007 3168 1 6 . 1 1 78 78 ILE HA H 78 3.429 3.429 3.874 -0.445 19007 3169 1 6 . 1 1 78 78 ILE C C 78 176.043 176.043 177.788 -1.745 19007 3170 1 6 . 1 1 78 78 ILE CA C 78 65.740 65.740 62.785 2.955 19007 3171 1 6 . 1 1 78 78 ILE CB C 78 37.960 37.960 37.370 0.591 19007 3172 1 6 . 1 1 78 78 ILE H H 78 7.740 7.740 7.729 0.011 19007 3173 1 6 . 1 1 79 79 ALA N N 79 116.940 116.940 124.283 -7.343 19007 3174 1 6 . 1 1 79 79 ALA HA H 79 4.229 4.229 3.946 0.283 19007 3175 1 6 . 1 1 79 79 ALA C C 79 178.719 178.719 179.171 -0.452 19007 3176 1 6 . 1 1 79 79 ALA CA C 79 53.390 53.390 55.075 -1.685 19007 3177 1 6 . 1 1 79 79 ALA CB C 79 18.500 18.500 18.135 0.365 19007 3178 1 6 . 1 1 79 79 ALA H H 79 8.210 8.210 8.490 -0.280 19007 3179 1 6 . 1 1 80 80 SER N N 80 113.260 113.260 113.308 -0.048 19007 3180 1 6 . 1 1 80 80 SER HA H 80 4.253 4.253 4.224 0.029 19007 3181 1 6 . 1 1 80 80 SER C C 80 174.869 174.869 175.385 -0.516 19007 3182 1 6 . 1 1 80 80 SER CA C 80 60.550 60.550 60.335 0.215 19007 3183 1 6 . 1 1 80 80 SER CB C 80 63.130 63.130 63.433 -0.303 19007 3184 1 6 . 1 1 80 80 SER H H 80 7.600 7.600 7.940 -0.340 19007 3185 1 6 . 1 1 81 81 LYS N N 81 123.510 123.510 119.046 4.464 19007 3186 1 6 . 1 1 81 81 LYS HA H 81 4.527 4.527 4.681 -0.154 19007 3187 1 6 . 1 1 81 81 LYS C C 81 176.289 176.289 175.296 0.993 19007 3188 1 6 . 1 1 81 81 LYS CA C 81 54.000 54.000 54.859 -0.859 19007 3189 1 6 . 1 1 81 81 LYS CB C 81 30.440 30.440 32.740 -2.300 19007 3190 1 6 . 1 1 81 81 LYS H H 81 7.690 7.690 7.605 0.085 19007 3191 1 6 . 1 1 82 82 LYS N N 82 120.760 120.760 121.288 -0.528 19007 3192 1 6 . 1 1 82 82 LYS HA H 82 4.539 4.539 4.221 0.318 19007 3193 1 6 . 1 1 82 82 LYS C C 82 176.835 176.835 175.759 1.076 19007 3194 1 6 . 1 1 82 82 LYS CA C 82 59.090 59.090 56.759 2.331 19007 3195 1 6 . 1 1 82 82 LYS CB C 82 32.330 32.330 30.177 2.153 19007 3196 1 6 . 1 1 82 82 LYS H H 82 8.190 8.190 7.788 0.402 19007 3197 1 6 . 1 1 83 83 ASP N N 83 117.280 117.280 120.715 -3.435 19007 3198 1 6 . 1 1 83 83 ASP HA H 83 4.659 4.659 4.472 0.187 19007 3199 1 6 . 1 1 83 83 ASP C C 83 174.460 174.460 176.330 -1.870 19007 3200 1 6 . 1 1 83 83 ASP CA C 83 55.390 55.390 55.225 0.165 19007 3201 1 6 . 1 1 83 83 ASP CB C 83 40.680 40.680 41.342 -0.662 19007 3202 1 6 . 1 1 83 83 ASP H H 83 8.670 8.670 8.297 0.373 19007 3203 1 6 . 1 1 84 84 LEU N N 84 117.780 117.780 119.336 -1.556 19007 3204 1 6 . 1 1 84 84 LEU HA H 84 5.100 5.100 3.929 1.171 19007 3205 1 6 . 1 1 84 84 LEU C C 84 176.753 176.753 177.208 -0.455 19007 3206 1 6 . 1 1 84 84 LEU CA C 84 54.560 54.560 54.039 0.521 19007 3207 1 6 . 1 1 84 84 LEU CB C 84 43.690 43.690 41.343 2.347 19007 3208 1 6 . 1 1 84 84 LEU H H 84 7.640 7.640 7.690 -0.050 19007 3209 1 6 . 1 1 85 85 PHE N N 85 117.610 117.610 121.484 -3.874 19007 3210 1 6 . 1 1 85 85 PHE HA H 85 4.754 4.754 4.494 0.260 19007 3211 1 6 . 1 1 85 85 PHE C C 85 173.204 173.204 174.491 -1.287 19007 3212 1 6 . 1 1 85 85 PHE CA C 85 56.400 56.400 57.420 -1.020 19007 3213 1 6 . 1 1 85 85 PHE CB C 85 42.000 42.000 37.476 4.524 19007 3214 1 6 . 1 1 85 85 PHE H H 85 8.280 8.280 8.049 0.231 19007 3215 1 6 . 1 1 86 86 VAL N N 86 123.600 123.600 122.810 0.790 19007 3216 1 6 . 1 1 86 86 VAL HA H 86 3.882 3.882 4.929 -1.047 19007 3217 1 6 . 1 1 86 86 VAL C C 86 174.651 174.651 175.323 -0.672 19007 3218 1 6 . 1 1 86 86 VAL CA C 86 63.640 63.640 60.035 3.605 19007 3219 1 6 . 1 1 86 86 VAL CB C 86 31.440 31.440 34.097 -2.657 19007 3220 1 6 . 1 1 86 86 VAL H H 86 8.880 8.880 7.985 0.895 19007 3221 1 6 . 1 1 87 87 HIS N N 87 130.690 130.690 127.537 3.153 19007 3222 1 6 . 1 1 87 87 HIS HA H 87 4.420 4.420 4.813 -0.393 19007 3223 1 6 . 1 1 87 87 HIS C C 87 175.497 175.497 173.929 1.568 19007 3224 1 6 . 1 1 87 87 HIS CA C 87 58.090 58.090 55.847 2.243 19007 3225 1 6 . 1 1 87 87 HIS CB C 87 32.870 32.870 32.360 0.510 19007 3226 1 6 . 1 1 87 87 HIS H H 87 9.320 9.320 9.246 0.074 19007 3227 1 6 . 1 1 88 88 SER N N 88 109.280 109.280 121.200 -11.920 19007 3228 1 6 . 1 1 88 88 SER HA H 88 4.503 4.503 5.423 -0.920 19007 3229 1 6 . 1 1 88 88 SER C C 88 172.248 172.248 173.407 -1.159 19007 3230 1 6 . 1 1 88 88 SER CA C 88 57.560 57.560 57.399 0.161 19007 3231 1 6 . 1 1 88 88 SER CB C 88 64.890 64.890 65.359 -0.469 19007 3232 1 6 . 1 1 88 88 SER H H 88 7.370 7.370 8.765 -1.395 19007 3233 1 6 . 1 1 89 89 ILE N N 89 122.260 122.260 122.198 0.062 19007 3234 1 6 . 1 1 89 89 ILE HA H 89 4.265 4.265 4.459 -0.194 19007 3235 1 6 . 1 1 89 89 ILE C C 89 174.569 174.569 173.023 1.546 19007 3236 1 6 . 1 1 89 89 ILE CA C 89 61.110 61.110 60.818 0.292 19007 3237 1 6 . 1 1 89 89 ILE CB C 89 39.960 39.960 39.879 0.081 19007 3238 1 6 . 1 1 89 89 ILE H H 89 8.400 8.400 8.989 -0.589 19007 3239 1 6 . 1 1 90 90 ASP N N 90 126.690 126.690 127.638 -0.948 19007 3240 1 6 . 1 1 90 90 ASP HA H 90 5.064 5.064 5.481 -0.417 19007 3241 1 6 . 1 1 90 90 ASP C C 90 174.469 174.469 175.252 -0.783 19007 3242 1 6 . 1 1 90 90 ASP CA C 90 53.600 53.600 52.623 0.977 19007 3243 1 6 . 1 1 90 90 ASP CB C 90 44.230 44.230 43.446 0.784 19007 3244 1 6 . 1 1 90 90 ASP H H 90 8.800 8.800 8.470 0.330 19007 3245 1 6 . 1 1 91 91 SER N N 91 116.760 116.760 114.694 2.066 19007 3246 1 6 . 1 1 91 91 SER HA H 91 4.781 4.781 4.660 0.121 19007 3247 1 6 . 1 1 91 91 SER C C 91 173.164 173.164 173.866 -0.702 19007 3248 1 6 . 1 1 91 91 SER CA C 91 57.430 57.430 57.486 -0.056 19007 3249 1 6 . 1 1 91 91 SER CB C 91 65.250 65.250 63.923 1.327 19007 3250 1 6 . 1 1 91 91 SER H H 91 8.500 8.500 8.413 0.087 19007 3251 1 6 . 1 1 92 92 GLU N N 92 123.420 123.420 122.222 1.198 19007 3252 1 6 . 1 1 92 92 GLU HA H 92 4.355 4.355 4.335 0.020 19007 3253 1 6 . 1 1 92 92 GLU C C 92 176.419 176.419 174.786 1.633 19007 3254 1 6 . 1 1 92 92 GLU CA C 92 56.250 56.250 55.177 1.073 19007 3255 1 6 . 1 1 92 92 GLU CB C 92 30.730 30.730 31.107 -0.377 19007 3256 1 6 . 1 1 92 92 GLU H H 92 8.620 8.620 7.940 0.680 19007 3257 1 6 . 1 1 93 93 VAL N N 93 122.090 122.090 121.408 0.682 19007 3258 1 6 . 1 1 93 93 VAL HA H 93 4.105 4.105 4.205 -0.100 19007 3259 1 6 . 1 1 93 93 VAL CA C 93 62.240 62.240 62.041 0.199 19007 3260 1 6 . 1 1 93 93 VAL CB C 93 32.860 32.860 31.988 0.872 19007 3261 1 6 . 1 1 93 93 VAL H H 93 8.220 8.220 8.151 0.069 19007 3262 1 6 . 1 1 96 96 LYS HA H 96 4.079 4.079 4.519 -0.440 19007 3263 1 6 . 1 1 96 96 LYS C C 96 176.053 176.053 176.031 0.022 19007 3264 1 6 . 1 1 96 96 LYS CA C 96 62.497 62.497 55.225 7.272 19007 3265 1 6 . 1 1 96 96 LYS CB C 96 32.776 32.776 33.668 -0.892 19007 3266 1 6 . 1 1 97 97 LYS N N 97 126.170 126.170 121.609 4.561 19007 3267 1 6 . 1 1 97 97 LYS HA H 97 4.300 4.300 4.489 -0.189 19007 3268 1 6 . 1 1 97 97 LYS C C 97 176.665 176.665 176.956 -0.291 19007 3269 1 6 . 1 1 97 97 LYS CA C 97 56.730 56.730 55.940 0.790 19007 3270 1 6 . 1 1 97 97 LYS CB C 97 33.020 33.020 33.539 -0.519 19007 3271 1 6 . 1 1 97 97 LYS H H 97 8.500 8.500 8.379 0.121 19007 3272 1 6 . 1 1 98 98 GLU N N 98 122.020 122.020 125.507 -3.487 19007 3273 1 6 . 1 1 98 98 GLU HA H 98 4.226 4.226 4.377 -0.151 19007 3274 1 6 . 1 1 98 98 GLU C C 98 176.382 176.382 175.804 0.578 19007 3275 1 6 . 1 1 98 98 GLU CA C 98 56.890 56.890 55.691 1.199 19007 3276 1 6 . 1 1 98 98 GLU CB C 98 30.410 30.410 28.498 1.912 19007 3277 1 6 . 1 1 98 98 GLU H H 98 8.470 8.470 8.956 -0.486 19007 3278 1 6 . 1 1 99 99 ALA N N 99 124.770 124.770 126.300 -1.530 19007 3279 1 6 . 1 1 99 99 ALA HA H 99 4.281 4.281 4.361 -0.080 19007 3280 1 6 . 1 1 99 99 ALA C C 99 177.723 177.723 176.397 1.326 19007 3281 1 6 . 1 1 99 99 ALA CA C 99 52.880 52.880 52.073 0.807 19007 3282 1 6 . 1 1 99 99 ALA CB C 99 19.320 19.320 17.999 1.321 19007 3283 1 6 . 1 1 99 99 ALA H H 99 8.310 8.310 8.054 0.256 19007 3284 1 6 . 1 1 100 100 GLN N N 100 119.190 119.190 121.554 -2.364 19007 3285 1 6 . 1 1 100 100 GLN HA H 100 4.266 4.266 4.532 -0.266 19007 3286 1 6 . 1 1 100 100 GLN CA C 100 56.000 56.000 55.629 0.371 19007 3287 1 6 . 1 1 100 100 GLN CB C 100 29.970 29.970 31.392 -1.422 19007 3288 1 6 . 1 1 100 100 GLN H H 100 8.280 8.280 7.862 0.418 19007 3289 1 6 . 1 1 101 101 GLN N N 101 120.421 120.421 125.479 -5.058 19007 3290 1 6 . 1 1 101 101 GLN HA H 101 4.650 4.650 4.449 0.201 19007 3291 1 6 . 1 1 101 101 GLN C C 101 175.725 175.725 174.912 0.813 19007 3292 1 6 . 1 1 101 101 GLN CA C 101 56.073 56.073 55.621 0.452 19007 3293 1 6 . 1 1 101 101 GLN CB C 101 29.524 29.524 27.815 1.709 19007 3294 1 6 . 1 1 101 101 GLN H H 101 8.114 8.114 8.589 -0.475 19007 3295 1 6 . 1 1 102 102 ILE N N 102 122.940 122.940 122.750 0.190 19007 3296 1 6 . 1 1 102 102 ILE HA H 102 4.119 4.119 4.384 -0.265 19007 3297 1 6 . 1 1 102 102 ILE C C 102 175.916 175.916 175.045 0.871 19007 3298 1 6 . 1 1 102 102 ILE CA C 102 61.260 61.260 60.948 0.312 19007 3299 1 6 . 1 1 102 102 ILE CB C 102 38.790 38.790 38.678 0.112 19007 3300 1 6 . 1 1 102 102 ILE H H 102 8.240 8.240 7.751 0.489 19007 3301 1 6 . 1 1 103 103 ARG N N 103 125.780 125.780 127.059 -1.279 19007 3302 1 6 . 1 1 103 103 ARG HA H 103 4.369 4.369 4.609 -0.240 19007 3303 1 6 . 1 1 103 103 ARG C C 103 175.752 175.752 175.877 -0.125 19007 3304 1 6 . 1 1 103 103 ARG CA C 103 55.940 55.940 56.265 -0.325 19007 3305 1 6 . 1 1 103 103 ARG CB C 103 31.340 31.340 31.910 -0.570 19007 3306 1 6 . 1 1 103 103 ARG H H 103 8.400 8.400 8.537 -0.137 19007 3307 1 6 . 1 1 104 104 GLU N N 104 123.840 123.840 122.942 0.898 19007 3308 1 6 . 1 1 104 104 GLU HA H 104 4.296 4.296 4.380 -0.084 19007 3309 1 6 . 1 1 104 104 GLU C C 104 175.314 175.314 176.326 -1.012 19007 3310 1 6 . 1 1 104 104 GLU CA C 104 56.430 56.430 56.586 -0.155 19007 3311 1 6 . 1 1 104 104 GLU CB C 104 30.560 30.560 29.653 0.907 19007 3312 1 6 . 1 1 104 104 GLU H H 104 8.510 8.510 8.689 -0.179 19007 3313 1 7 . 1 1 6 6 THR HA H 6 4.321 4.321 4.096 0.225 19007 3314 1 7 . 1 1 6 6 THR C C 6 174.339 174.339 174.174 0.165 19007 3315 1 7 . 1 1 6 6 THR CA C 6 62.139 62.139 64.066 -1.927 19007 3316 1 7 . 1 1 6 6 THR CB C 6 69.788 69.788 69.401 0.387 19007 3317 1 7 . 1 1 7 7 LYS N N 7 124.350 124.350 118.495 5.855 19007 3318 1 7 . 1 1 7 7 LYS HA H 7 4.265 4.265 4.466 -0.201 19007 3319 1 7 . 1 1 7 7 LYS C C 7 176.341 176.341 174.242 2.099 19007 3320 1 7 . 1 1 7 7 LYS CA C 7 56.980 56.980 55.537 1.443 19007 3321 1 7 . 1 1 7 7 LYS CB C 7 33.110 33.110 34.417 -1.307 19007 3322 1 7 . 1 1 7 7 LYS H H 7 8.320 8.320 8.042 0.278 19007 3323 1 7 . 1 1 8 8 LYS N N 8 123.170 123.170 118.830 4.340 19007 3324 1 7 . 1 1 8 8 LYS HA H 8 4.253 4.253 4.592 -0.339 19007 3325 1 7 . 1 1 8 8 LYS C C 8 176.083 176.083 176.419 -0.336 19007 3326 1 7 . 1 1 8 8 LYS CA C 8 56.450 56.450 55.576 0.874 19007 3327 1 7 . 1 1 8 8 LYS CB C 8 33.480 33.480 34.586 -1.106 19007 3328 1 7 . 1 1 8 8 LYS H H 8 8.340 8.340 8.265 0.075 19007 3329 1 7 . 1 1 9 9 GLN N N 9 123.010 123.010 118.973 4.037 19007 3330 1 7 . 1 1 9 9 GLN HA H 9 4.289 4.289 4.448 -0.159 19007 3331 1 7 . 1 1 9 9 GLN C C 9 174.914 174.914 175.725 -0.811 19007 3332 1 7 . 1 1 9 9 GLN CA C 9 56.520 56.520 57.074 -0.554 19007 3333 1 7 . 1 1 9 9 GLN CB C 9 30.790 30.790 29.198 1.592 19007 3334 1 7 . 1 1 9 9 GLN H H 9 8.440 8.440 8.570 -0.131 19007 3335 1 7 . 1 1 10 10 GLN N N 10 121.180 121.180 119.615 1.565 19007 3336 1 7 . 1 1 10 10 GLN HA H 10 4.769 4.769 4.176 0.593 19007 3337 1 7 . 1 1 10 10 GLN C C 10 175.865 175.865 175.058 0.807 19007 3338 1 7 . 1 1 10 10 GLN CA C 10 55.580 55.580 55.707 -0.127 19007 3339 1 7 . 1 1 10 10 GLN CB C 10 29.630 29.630 29.236 0.394 19007 3340 1 7 . 1 1 10 10 GLN H H 10 8.170 8.170 8.036 0.134 19007 3341 1 7 . 1 1 11 11 TYR N N 11 120.110 120.110 120.927 -0.817 19007 3342 1 7 . 1 1 11 11 TYR HA H 11 4.769 4.769 4.885 -0.116 19007 3343 1 7 . 1 1 11 11 TYR C C 11 174.319 174.319 172.924 1.395 19007 3344 1 7 . 1 1 11 11 TYR CA C 11 58.490 58.490 56.147 2.343 19007 3345 1 7 . 1 1 11 11 TYR CB C 11 39.350 39.350 40.049 -0.699 19007 3346 1 7 . 1 1 11 11 TYR H H 11 8.470 8.470 8.182 0.288 19007 3347 1 7 . 1 1 12 12 VAL N N 12 117.030 117.030 120.515 -3.485 19007 3348 1 7 . 1 1 12 12 VAL HA H 12 4.793 4.793 5.375 -0.582 19007 3349 1 7 . 1 1 12 12 VAL C C 12 174.636 174.636 174.692 -0.056 19007 3350 1 7 . 1 1 12 12 VAL CA C 12 60.730 60.730 61.292 -0.562 19007 3351 1 7 . 1 1 12 12 VAL CB C 12 34.790 34.790 35.593 -0.803 19007 3352 1 7 . 1 1 12 12 VAL H H 12 7.590 7.590 8.381 -0.791 19007 3353 1 7 . 1 1 13 13 THR N N 13 121.770 121.770 122.900 -1.130 19007 3354 1 7 . 1 1 13 13 THR HA H 13 4.615 4.615 4.846 -0.231 19007 3355 1 7 . 1 1 13 13 THR C C 13 173.030 173.030 172.629 0.401 19007 3356 1 7 . 1 1 13 13 THR CA C 13 61.540 61.540 60.796 0.744 19007 3357 1 7 . 1 1 13 13 THR CB C 13 71.050 71.050 70.666 0.384 19007 3358 1 7 . 1 1 13 13 THR H H 13 8.620 8.620 9.076 -0.456 19007 3359 1 7 . 1 1 14 14 ILE N N 14 126.190 126.190 126.564 -0.374 19007 3360 1 7 . 1 1 14 14 ILE HA H 14 4.781 4.781 4.735 0.046 19007 3361 1 7 . 1 1 14 14 ILE C C 14 175.112 175.112 174.599 0.513 19007 3362 1 7 . 1 1 14 14 ILE CA C 14 61.120 61.120 60.323 0.797 19007 3363 1 7 . 1 1 14 14 ILE CB C 14 40.340 40.340 41.039 -0.699 19007 3364 1 7 . 1 1 14 14 ILE H H 14 8.890 8.890 8.575 0.315 19007 3365 1 7 . 1 1 15 15 LYS N N 15 127.020 127.020 126.144 0.876 19007 3366 1 7 . 1 1 15 15 LYS HA H 15 4.734 4.734 4.832 -0.098 19007 3367 1 7 . 1 1 15 15 LYS C C 15 175.409 175.409 175.209 0.200 19007 3368 1 7 . 1 1 15 15 LYS CA C 15 54.740 54.740 55.425 -0.685 19007 3369 1 7 . 1 1 15 15 LYS CB C 15 35.430 35.430 35.549 -0.119 19007 3370 1 7 . 1 1 15 15 LYS H H 15 8.850 8.850 9.181 -0.331 19007 3371 1 7 . 1 1 16 16 GLY N N 16 112.120 112.120 110.168 1.952 19007 3372 1 7 . 1 1 16 16 GLY C C 16 172.566 172.566 174.134 -1.568 19007 3373 1 7 . 1 1 16 16 GLY CA C 16 45.560 45.560 45.754 -0.194 19007 3374 1 7 . 1 1 16 16 GLY H H 16 8.870 8.870 8.714 0.156 19007 3375 1 7 . 1 1 17 17 THR N N 17 114.520 114.520 115.533 -1.013 19007 3376 1 7 . 1 1 17 17 THR HA H 17 4.753 4.753 4.363 0.390 19007 3377 1 7 . 1 1 17 17 THR CA C 17 60.360 60.360 61.448 -1.088 19007 3378 1 7 . 1 1 17 17 THR CB C 17 72.040 72.040 68.808 3.232 19007 3379 1 7 . 1 1 17 17 THR H H 17 8.380 8.380 7.800 0.580 19007 3380 1 7 . 1 1 19 19 ASN HA H 19 4.778 4.778 5.435 -0.657 19007 3381 1 7 . 1 1 19 19 ASN C C 19 174.616 174.616 176.319 -1.703 19007 3382 1 7 . 1 1 19 19 ASN CA C 19 53.700 53.700 51.604 2.096 19007 3383 1 7 . 1 1 19 19 ASN CB C 19 39.018 39.018 41.777 -2.759 19007 3384 1 7 . 1 1 20 20 GLY N N 20 108.600 108.600 108.335 0.265 19007 3385 1 7 . 1 1 20 20 GLY C C 20 172.297 172.297 173.585 -1.288 19007 3386 1 7 . 1 1 20 20 GLY CA C 20 46.310 46.310 46.330 -0.020 19007 3387 1 7 . 1 1 20 20 GLY H H 20 7.590 7.590 8.679 -1.089 19007 3388 1 7 . 1 1 21 21 LEU N N 21 123.210 123.210 121.111 2.099 19007 3389 1 7 . 1 1 21 21 LEU HA H 21 5.015 5.015 4.694 0.321 19007 3390 1 7 . 1 1 21 21 LEU C C 21 176.202 176.202 174.138 2.064 19007 3391 1 7 . 1 1 21 21 LEU CA C 21 54.090 54.090 55.663 -1.573 19007 3392 1 7 . 1 1 21 21 LEU CB C 21 45.940 45.940 44.602 1.338 19007 3393 1 7 . 1 1 21 21 LEU H H 21 8.760 8.760 8.019 0.741 19007 3394 1 7 . 1 1 22 22 THR N N 22 120.430 120.430 123.213 -2.783 19007 3395 1 7 . 1 1 22 22 THR HA H 22 5.191 5.191 4.805 0.386 19007 3396 1 7 . 1 1 22 22 THR C C 22 172.852 172.852 173.035 -0.183 19007 3397 1 7 . 1 1 22 22 THR CA C 22 61.850 61.850 61.594 0.256 19007 3398 1 7 . 1 1 22 22 THR CB C 22 69.800 69.800 69.565 0.235 19007 3399 1 7 . 1 1 22 22 THR H H 22 9.150 9.150 8.755 0.395 19007 3400 1 7 . 1 1 23 23 LEU N N 23 127.110 127.110 123.221 3.889 19007 3401 1 7 . 1 1 23 23 LEU HA H 23 4.910 4.910 5.623 -0.713 19007 3402 1 7 . 1 1 23 23 LEU C C 23 174.200 174.200 174.270 -0.070 19007 3403 1 7 . 1 1 23 23 LEU CA C 23 52.770 52.770 53.437 -0.667 19007 3404 1 7 . 1 1 23 23 LEU CB C 23 44.220 44.220 45.783 -1.563 19007 3405 1 7 . 1 1 23 23 LEU H H 23 8.870 8.870 7.962 0.908 19007 3406 1 7 . 1 1 24 24 HIS N N 24 124.600 124.600 119.761 4.839 19007 3407 1 7 . 1 1 24 24 HIS HA H 24 4.875 4.875 5.473 -0.598 19007 3408 1 7 . 1 1 24 24 HIS C C 24 174.033 174.033 173.040 0.993 19007 3409 1 7 . 1 1 24 24 HIS CA C 24 56.000 56.000 55.496 0.504 19007 3410 1 7 . 1 1 24 24 HIS CB C 24 30.400 30.400 34.040 -3.640 19007 3411 1 7 . 1 1 24 24 HIS H H 24 9.160 9.160 9.215 -0.055 19007 3412 1 7 . 1 1 25 25 LEU N N 25 125.950 125.950 128.049 -2.099 19007 3413 1 7 . 1 1 25 25 LEU HA H 25 4.382 4.382 4.851 -0.469 19007 3414 1 7 . 1 1 25 25 LEU C C 25 175.806 175.806 173.833 1.973 19007 3415 1 7 . 1 1 25 25 LEU CA C 25 53.250 53.250 53.953 -0.702 19007 3416 1 7 . 1 1 25 25 LEU CB C 25 41.030 41.030 45.977 -4.947 19007 3417 1 7 . 1 1 25 25 LEU H H 25 8.420 8.420 8.197 0.223 19007 3418 1 7 . 1 1 26 26 ASP N N 26 126.170 126.170 128.386 -2.216 19007 3419 1 7 . 1 1 26 26 ASP HA H 26 4.344 4.344 5.038 -0.694 19007 3420 1 7 . 1 1 26 26 ASP C C 26 176.302 176.302 174.451 1.851 19007 3421 1 7 . 1 1 26 26 ASP CA C 26 56.480 56.480 53.942 2.538 19007 3422 1 7 . 1 1 26 26 ASP CB C 26 43.880 43.880 42.307 1.573 19007 3423 1 7 . 1 1 26 26 ASP H H 26 8.630 8.630 8.258 0.372 19007 3424 1 7 . 1 1 27 27 ASP N N 27 122.430 122.430 124.204 -1.774 19007 3425 1 7 . 1 1 27 27 ASP HA H 27 4.540 4.540 4.959 -0.419 19007 3426 1 7 . 1 1 27 27 ASP C C 27 176.381 176.381 173.427 2.954 19007 3427 1 7 . 1 1 27 27 ASP CA C 27 54.060 54.060 53.665 0.395 19007 3428 1 7 . 1 1 27 27 ASP CB C 27 40.820 40.820 44.797 -3.977 19007 3429 1 7 . 1 1 27 27 ASP H H 27 8.150 8.150 8.367 -0.217 19007 3430 1 7 . 1 1 28 28 ALA N N 28 123.520 123.520 120.565 2.955 19007 3431 1 7 . 1 1 28 28 ALA HA H 28 4.600 4.600 4.543 0.057 19007 3432 1 7 . 1 1 28 28 ALA C C 28 178.324 178.324 176.763 1.561 19007 3433 1 7 . 1 1 28 28 ALA CA C 28 52.860 52.860 51.934 0.926 19007 3434 1 7 . 1 1 28 28 ALA CB C 28 20.790 20.790 21.213 -0.423 19007 3435 1 7 . 1 1 28 28 ALA H H 28 8.480 8.480 8.457 0.023 19007 3436 1 7 . 1 1 29 29 CYS N N 29 115.580 115.580 117.705 -2.125 19007 3437 1 7 . 1 1 29 29 CYS HA H 29 4.680 4.680 4.197 0.483 19007 3438 1 7 . 1 1 29 29 CYS C C 29 174.696 174.696 173.712 0.984 19007 3439 1 7 . 1 1 29 29 CYS CA C 29 56.060 56.060 59.449 -3.389 19007 3440 1 7 . 1 1 29 29 CYS CB C 29 29.050 29.050 25.223 3.828 19007 3441 1 7 . 1 1 29 29 CYS H H 29 7.510 7.510 8.813 -1.303 19007 3442 1 7 . 1 1 30 30 SER N N 30 119.090 119.090 114.141 4.949 19007 3443 1 7 . 1 1 30 30 SER HA H 30 4.500 4.500 4.339 0.161 19007 3444 1 7 . 1 1 30 30 SER CA C 30 58.370 58.370 57.214 1.156 19007 3445 1 7 . 1 1 30 30 SER CB C 30 64.170 64.170 65.382 -1.212 19007 3446 1 7 . 1 1 30 30 SER H H 30 9.170 9.170 7.644 1.526 19007 3447 1 7 . 1 1 31 31 PHE HA H 31 4.041 4.041 4.761 -0.720 19007 3448 1 7 . 1 1 31 31 PHE C C 31 176.440 176.440 176.365 0.075 19007 3449 1 7 . 1 1 31 31 PHE CA C 31 62.491 62.491 56.858 5.633 19007 3450 1 7 . 1 1 31 31 PHE CB C 31 39.018 39.018 39.556 -0.537 19007 3451 1 7 . 1 1 32 32 ASP N N 32 116.020 116.020 119.273 -3.253 19007 3452 1 7 . 1 1 32 32 ASP HA H 32 4.139 4.139 4.665 -0.526 19007 3453 1 7 . 1 1 32 32 ASP C C 32 178.978 178.978 176.740 2.238 19007 3454 1 7 . 1 1 32 32 ASP CA C 32 57.670 57.670 53.668 4.002 19007 3455 1 7 . 1 1 32 32 ASP CB C 32 40.290 40.290 40.266 0.024 19007 3456 1 7 . 1 1 32 32 ASP H H 32 8.370 8.370 8.885 -0.515 19007 3457 1 7 . 1 1 33 33 GLU N N 33 120.170 120.170 120.710 -0.540 19007 3458 1 7 . 1 1 33 33 GLU HA H 33 4.149 4.149 4.065 0.084 19007 3459 1 7 . 1 1 33 33 GLU C C 33 179.256 179.256 177.710 1.546 19007 3460 1 7 . 1 1 33 33 GLU CA C 33 58.810 58.810 59.175 -0.365 19007 3461 1 7 . 1 1 33 33 GLU CB C 33 29.510 29.510 29.114 0.396 19007 3462 1 7 . 1 1 33 33 GLU H H 33 7.560 7.560 8.684 -1.124 19007 3463 1 7 . 1 1 34 34 LEU N N 34 121.930 121.930 118.625 3.305 19007 3464 1 7 . 1 1 34 34 LEU HA H 34 3.755 3.755 4.383 -0.628 19007 3465 1 7 . 1 1 34 34 LEU C C 34 178.205 178.205 177.654 0.551 19007 3466 1 7 . 1 1 34 34 LEU CA C 34 57.910 57.910 55.564 2.346 19007 3467 1 7 . 1 1 34 34 LEU CB C 34 41.980 41.980 41.014 0.966 19007 3468 1 7 . 1 1 34 34 LEU H H 34 7.730 7.730 8.162 -0.432 19007 3469 1 7 . 1 1 35 35 LEU N N 35 118.190 118.190 121.850 -3.660 19007 3470 1 7 . 1 1 35 35 LEU HA H 35 3.575 3.575 4.460 -0.885 19007 3471 1 7 . 1 1 35 35 LEU C C 35 179.295 179.295 178.137 1.158 19007 3472 1 7 . 1 1 35 35 LEU CA C 35 57.990 57.990 57.053 0.937 19007 3473 1 7 . 1 1 35 35 LEU CB C 35 40.900 40.900 43.473 -2.573 19007 3474 1 7 . 1 1 35 35 LEU H H 35 7.880 7.880 7.942 -0.062 19007 3475 1 7 . 1 1 36 36 ASP N N 36 118.760 118.760 120.005 -1.245 19007 3476 1 7 . 1 1 36 36 ASP HA H 36 4.308 4.308 4.340 -0.032 19007 3477 1 7 . 1 1 36 36 ASP C C 36 178.819 178.819 178.643 0.176 19007 3478 1 7 . 1 1 36 36 ASP CA C 36 57.570 57.570 58.154 -0.584 19007 3479 1 7 . 1 1 36 36 ASP CB C 36 41.500 41.500 40.609 0.891 19007 3480 1 7 . 1 1 36 36 ASP H H 36 7.580 7.580 8.898 -1.318 19007 3481 1 7 . 1 1 37 37 GLY N N 37 107.520 107.520 106.932 0.588 19007 3482 1 7 . 1 1 37 37 GLY C C 37 176.678 176.678 176.688 -0.010 19007 3483 1 7 . 1 1 37 37 GLY CA C 37 47.340 47.340 47.048 0.292 19007 3484 1 7 . 1 1 37 37 GLY H H 37 8.210 8.210 7.849 0.361 19007 3485 1 7 . 1 1 38 38 LEU N N 38 123.680 123.680 123.378 0.302 19007 3486 1 7 . 1 1 38 38 LEU HA H 38 4.007 4.007 4.228 -0.221 19007 3487 1 7 . 1 1 38 38 LEU C C 38 177.769 177.769 178.397 -0.628 19007 3488 1 7 . 1 1 38 38 LEU CA C 38 57.970 57.970 57.461 0.509 19007 3489 1 7 . 1 1 38 38 LEU CB C 38 42.250 42.250 41.486 0.764 19007 3490 1 7 . 1 1 38 38 LEU H H 38 8.800 8.800 7.497 1.303 19007 3491 1 7 . 1 1 39 39 GLN N N 39 118.840 118.840 118.843 -0.003 19007 3492 1 7 . 1 1 39 39 GLN HA H 39 3.887 3.887 3.960 -0.073 19007 3493 1 7 . 1 1 39 39 GLN C C 39 178.443 178.443 178.419 0.024 19007 3494 1 7 . 1 1 39 39 GLN CA C 39 59.450 59.450 59.071 0.379 19007 3495 1 7 . 1 1 39 39 GLN CB C 39 28.400 28.400 28.013 0.387 19007 3496 1 7 . 1 1 39 39 GLN H H 39 8.460 8.460 8.217 0.243 19007 3497 1 7 . 1 1 40 40 ASN N N 40 116.110 116.110 118.622 -2.512 19007 3498 1 7 . 1 1 40 40 ASN HA H 40 4.488 4.488 4.449 0.039 19007 3499 1 7 . 1 1 40 40 ASN C C 40 177.491 177.491 177.152 0.339 19007 3500 1 7 . 1 1 40 40 ASN CA C 40 56.330 56.330 56.212 0.118 19007 3501 1 7 . 1 1 40 40 ASN CB C 40 39.230 39.230 38.566 0.664 19007 3502 1 7 . 1 1 40 40 ASN H H 40 7.810 7.810 8.665 -0.855 19007 3503 1 7 . 1 1 41 41 MET N N 41 119.840 119.840 120.186 -0.346 19007 3504 1 7 . 1 1 41 41 MET HA H 41 4.344 4.344 4.205 0.139 19007 3505 1 7 . 1 1 41 41 MET C C 41 177.551 177.551 178.113 -0.562 19007 3506 1 7 . 1 1 41 41 MET CA C 41 58.140 58.140 58.788 -0.648 19007 3507 1 7 . 1 1 41 41 MET CB C 41 32.600 32.600 32.819 -0.219 19007 3508 1 7 . 1 1 41 41 MET H H 41 8.060 8.060 7.464 0.596 19007 3509 1 7 . 1 1 42 42 LEU N N 42 116.680 116.680 119.913 -3.233 19007 3510 1 7 . 1 1 42 42 LEU HA H 42 4.236 4.236 3.905 0.331 19007 3511 1 7 . 1 1 42 42 LEU C C 42 177.055 177.055 178.891 -1.836 19007 3512 1 7 . 1 1 42 42 LEU CA C 42 55.850 55.850 58.130 -2.280 19007 3513 1 7 . 1 1 42 42 LEU CB C 42 41.490 41.490 41.651 -0.161 19007 3514 1 7 . 1 1 42 42 LEU H H 42 8.280 8.280 8.473 -0.193 19007 3515 1 7 . 1 1 43 43 SER N N 43 113.420 113.420 112.234 1.186 19007 3516 1 7 . 1 1 43 43 SER HA H 43 4.452 4.452 4.318 0.134 19007 3517 1 7 . 1 1 43 43 SER C C 43 174.755 174.755 175.156 -0.401 19007 3518 1 7 . 1 1 43 43 SER CA C 43 59.340 59.340 61.359 -2.019 19007 3519 1 7 . 1 1 43 43 SER CB C 43 63.580 63.580 63.164 0.416 19007 3520 1 7 . 1 1 43 43 SER H H 43 7.650 7.650 7.900 -0.250 19007 3521 1 7 . 1 1 44 44 ILE N N 44 120.390 120.390 118.799 1.591 19007 3522 1 7 . 1 1 44 44 ILE HA H 44 4.188 4.188 4.015 0.173 19007 3523 1 7 . 1 1 44 44 ILE C C 44 176.440 176.440 176.812 -0.372 19007 3524 1 7 . 1 1 44 44 ILE CA C 44 61.500 61.500 62.842 -1.342 19007 3525 1 7 . 1 1 44 44 ILE CB C 44 38.640 38.640 38.846 -0.206 19007 3526 1 7 . 1 1 44 44 ILE H H 44 7.590 7.590 7.458 0.132 19007 3527 1 7 . 1 1 45 45 GLU N N 45 118.850 118.850 119.201 -0.351 19007 3528 1 7 . 1 1 45 45 GLU HA H 45 4.272 4.272 4.166 0.106 19007 3529 1 7 . 1 1 45 45 GLU C C 45 176.698 176.698 177.344 -0.646 19007 3530 1 7 . 1 1 45 45 GLU CA C 45 61.950 61.950 58.052 3.898 19007 3531 1 7 . 1 1 45 45 GLU CB C 45 29.840 29.840 30.635 -0.795 19007 3532 1 7 . 1 1 45 45 GLU H H 45 8.200 8.200 8.137 0.063 19007 3533 1 7 . 1 1 46 46 GLN N N 46 118.260 118.260 118.894 -0.634 19007 3534 1 7 . 1 1 46 46 GLN HA H 46 4.212 4.212 4.536 -0.324 19007 3535 1 7 . 1 1 46 46 GLN C C 46 176.361 176.361 173.991 2.370 19007 3536 1 7 . 1 1 46 46 GLN CA C 46 56.770 56.770 56.144 0.626 19007 3537 1 7 . 1 1 46 46 GLN CB C 46 28.920 28.920 30.419 -1.499 19007 3538 1 7 . 1 1 46 46 GLN H H 46 8.270 8.270 8.058 0.212 19007 3539 1 7 . 1 1 47 47 TYR N N 47 117.690 117.690 120.390 -2.700 19007 3540 1 7 . 1 1 47 47 TYR HA H 47 4.701 4.701 4.913 -0.212 19007 3541 1 7 . 1 1 47 47 TYR C C 47 175.588 175.588 174.634 0.954 19007 3542 1 7 . 1 1 47 47 TYR CA C 47 58.290 58.290 56.739 1.551 19007 3543 1 7 . 1 1 47 47 TYR CB C 47 39.250 39.250 38.961 0.289 19007 3544 1 7 . 1 1 47 47 TYR H H 47 7.980 7.980 8.275 -0.295 19007 3545 1 7 . 1 1 48 48 THR N N 48 108.930 108.930 117.697 -8.767 19007 3546 1 7 . 1 1 48 48 THR HA H 48 4.464 4.464 4.110 0.354 19007 3547 1 7 . 1 1 48 48 THR C C 48 176.381 176.381 174.381 2.000 19007 3548 1 7 . 1 1 48 48 THR CA C 48 61.150 61.150 61.586 -0.436 19007 3549 1 7 . 1 1 48 48 THR CB C 48 70.190 70.190 68.046 2.144 19007 3550 1 7 . 1 1 48 48 THR H H 48 7.570 7.570 7.321 0.249 19007 3551 1 7 . 1 1 49 49 ASP N N 49 121.350 121.350 125.393 -4.043 19007 3552 1 7 . 1 1 49 49 ASP HA H 49 4.752 4.752 4.349 0.403 19007 3553 1 7 . 1 1 49 49 ASP C C 49 177.015 177.015 177.052 -0.037 19007 3554 1 7 . 1 1 49 49 ASP CA C 49 53.710 53.710 56.631 -2.921 19007 3555 1 7 . 1 1 49 49 ASP CB C 49 41.200 41.200 41.729 -0.529 19007 3556 1 7 . 1 1 49 49 ASP H H 49 8.100 8.100 8.185 -0.085 19007 3557 1 7 . 1 1 50 50 GLY N N 50 112.360 112.360 106.695 5.665 19007 3558 1 7 . 1 1 50 50 GLY C C 50 175.449 175.449 175.135 0.314 19007 3559 1 7 . 1 1 50 50 GLY CA C 50 46.000 46.000 45.582 0.418 19007 3560 1 7 . 1 1 50 50 GLY H H 50 9.080 9.080 7.775 1.305 19007 3561 1 7 . 1 1 51 51 LYS N N 51 119.510 119.510 120.991 -1.481 19007 3562 1 7 . 1 1 51 51 LYS HA H 51 4.200 4.200 4.578 -0.378 19007 3563 1 7 . 1 1 51 51 LYS C C 51 177.214 177.214 176.592 0.622 19007 3564 1 7 . 1 1 51 51 LYS CA C 51 56.540 56.540 56.730 -0.190 19007 3565 1 7 . 1 1 51 51 LYS CB C 51 31.420 31.420 35.212 -3.792 19007 3566 1 7 . 1 1 51 51 LYS H H 51 8.590 8.590 9.056 -0.466 19007 3567 1 7 . 1 1 52 52 GLY N N 52 108.180 108.180 109.559 -1.379 19007 3568 1 7 . 1 1 52 52 GLY C C 52 174.279 174.279 172.624 1.655 19007 3569 1 7 . 1 1 52 52 GLY CA C 52 45.450 45.450 45.513 -0.063 19007 3570 1 7 . 1 1 52 52 GLY H H 52 8.670 8.670 8.671 -0.001 19007 3571 1 7 . 1 1 53 53 GLN N N 53 120.010 120.010 121.171 -1.161 19007 3572 1 7 . 1 1 53 53 GLN HA H 53 4.440 4.440 4.224 0.216 19007 3573 1 7 . 1 1 53 53 GLN C C 53 175.001 175.001 175.214 -0.213 19007 3574 1 7 . 1 1 53 53 GLN CA C 53 54.580 54.580 55.308 -0.728 19007 3575 1 7 . 1 1 53 53 GLN CB C 53 30.330 30.330 27.951 2.379 19007 3576 1 7 . 1 1 53 53 GLN H H 53 7.860 7.860 8.413 -0.553 19007 3577 1 7 . 1 1 54 54 LYS N N 54 120.420 120.420 127.606 -7.186 19007 3578 1 7 . 1 1 54 54 LYS HA H 54 4.704 4.704 4.720 -0.016 19007 3579 1 7 . 1 1 54 54 LYS C C 54 176.753 176.753 175.654 1.099 19007 3580 1 7 . 1 1 54 54 LYS CA C 54 55.830 55.830 55.642 0.188 19007 3581 1 7 . 1 1 54 54 LYS CB C 54 33.850 33.850 32.828 1.022 19007 3582 1 7 . 1 1 54 54 LYS H H 54 8.250 8.250 8.239 0.011 19007 3583 1 7 . 1 1 55 55 ILE N N 55 125.360 125.360 130.138 -4.778 19007 3584 1 7 . 1 1 55 55 ILE HA H 55 4.169 4.169 4.759 -0.590 19007 3585 1 7 . 1 1 55 55 ILE C C 55 174.405 174.405 174.885 -0.480 19007 3586 1 7 . 1 1 55 55 ILE CA C 55 60.350 60.350 60.776 -0.426 19007 3587 1 7 . 1 1 55 55 ILE CB C 55 39.690 39.690 37.471 2.219 19007 3588 1 7 . 1 1 55 55 ILE H H 55 9.050 9.050 8.629 0.421 19007 3589 1 7 . 1 1 56 56 SER N N 56 121.850 121.850 122.136 -0.286 19007 3590 1 7 . 1 1 56 56 SER HA H 56 4.480 4.480 5.115 -0.635 19007 3591 1 7 . 1 1 56 56 SER C C 56 174.105 174.105 173.869 0.236 19007 3592 1 7 . 1 1 56 56 SER CA C 56 57.410 57.410 56.360 1.050 19007 3593 1 7 . 1 1 56 56 SER CB C 56 64.080 64.080 63.315 0.765 19007 3594 1 7 . 1 1 56 56 SER H H 56 8.330 8.330 8.227 0.103 19007 3595 1 7 . 1 1 57 57 VAL N N 57 123.190 123.190 127.723 -4.533 19007 3596 1 7 . 1 1 57 57 VAL HA H 57 4.861 4.861 4.048 0.813 19007 3597 1 7 . 1 1 57 57 VAL C C 57 174.869 174.869 175.026 -0.157 19007 3598 1 7 . 1 1 57 57 VAL CA C 57 61.130 61.130 62.300 -1.169 19007 3599 1 7 . 1 1 57 57 VAL CB C 57 33.600 33.600 30.912 2.688 19007 3600 1 7 . 1 1 57 57 VAL H H 57 8.680 8.680 8.787 -0.107 19007 3601 1 7 . 1 1 58 58 HIS N N 58 129.590 129.590 127.528 2.062 19007 3602 1 7 . 1 1 58 58 HIS HA H 58 5.076 5.076 5.043 0.033 19007 3603 1 7 . 1 1 58 58 HIS C C 58 174.351 174.351 174.860 -0.509 19007 3604 1 7 . 1 1 58 58 HIS CA C 58 54.420 54.420 54.314 0.106 19007 3605 1 7 . 1 1 58 58 HIS CB C 58 31.720 31.720 29.997 1.723 19007 3606 1 7 . 1 1 58 58 HIS H H 58 9.050 9.050 8.046 1.004 19007 3607 1 7 . 1 1 59 59 VAL N N 59 125.260 125.260 125.455 -0.195 19007 3608 1 7 . 1 1 59 59 VAL HA H 59 4.408 4.408 3.995 0.413 19007 3609 1 7 . 1 1 59 59 VAL C C 59 174.460 174.460 174.966 -0.506 19007 3610 1 7 . 1 1 59 59 VAL CA C 59 62.370 62.370 61.553 0.817 19007 3611 1 7 . 1 1 59 59 VAL CB C 59 32.760 32.760 32.837 -0.077 19007 3612 1 7 . 1 1 59 59 VAL H H 59 8.800 8.800 9.051 -0.251 19007 3613 1 7 . 1 1 60 60 LYS N N 60 128.520 128.520 124.526 3.994 19007 3614 1 7 . 1 1 60 60 LYS HA H 60 4.909 4.909 4.679 0.230 19007 3615 1 7 . 1 1 60 60 LYS C C 60 175.825 175.825 175.178 0.647 19007 3616 1 7 . 1 1 60 60 LYS CA C 60 54.450 54.450 55.166 -0.716 19007 3617 1 7 . 1 1 60 60 LYS CB C 60 32.490 32.490 31.468 1.022 19007 3618 1 7 . 1 1 60 60 LYS H H 60 9.040 9.040 8.433 0.607 19007 3619 1 7 . 1 1 61 61 LEU N N 61 121.430 121.430 121.298 0.132 19007 3620 1 7 . 1 1 61 61 LEU HA H 61 4.527 4.527 5.141 -0.614 19007 3621 1 7 . 1 1 61 61 LEU C C 61 178.910 178.910 178.377 0.533 19007 3622 1 7 . 1 1 61 61 LEU CA C 61 54.410 54.410 54.896 -0.486 19007 3623 1 7 . 1 1 61 61 LEU CB C 61 44.330 44.330 43.577 0.753 19007 3624 1 7 . 1 1 61 61 LEU H H 61 8.700 8.700 9.549 -0.849 19007 3625 1 7 . 1 1 62 62 GLY N N 62 110.520 110.520 106.427 4.093 19007 3626 1 7 . 1 1 62 62 GLY C C 62 175.350 175.350 175.160 0.190 19007 3627 1 7 . 1 1 62 62 GLY CA C 62 46.710 46.710 46.463 0.247 19007 3628 1 7 . 1 1 62 62 GLY H H 62 9.060 9.060 8.693 0.367 19007 3629 1 7 . 1 1 63 63 ASN N N 63 127.090 127.090 123.665 3.425 19007 3630 1 7 . 1 1 63 63 ASN HA H 63 4.778 4.778 4.770 0.008 19007 3631 1 7 . 1 1 63 63 ASN C C 63 174.214 174.214 175.181 -0.967 19007 3632 1 7 . 1 1 63 63 ASN CA C 63 52.910 52.910 51.943 0.967 19007 3633 1 7 . 1 1 63 63 ASN CB C 63 38.100 38.100 36.438 1.662 19007 3634 1 7 . 1 1 63 63 ASN H H 63 10.390 10.390 8.179 2.211 19007 3635 1 7 . 1 1 64 64 ARG N N 64 121.850 121.850 121.360 0.490 19007 3636 1 7 . 1 1 64 64 ARG HA H 64 4.265 4.265 4.264 0.001 19007 3637 1 7 . 1 1 64 64 ARG C C 64 174.214 174.214 176.626 -2.412 19007 3638 1 7 . 1 1 64 64 ARG CA C 64 56.330 56.330 56.812 -0.482 19007 3639 1 7 . 1 1 64 64 ARG CB C 64 33.860 33.860 29.736 4.124 19007 3640 1 7 . 1 1 64 64 ARG H H 64 7.520 7.520 7.551 -0.031 19007 3641 1 7 . 1 1 65 65 PHE N N 65 127.760 127.760 118.873 8.887 19007 3642 1 7 . 1 1 65 65 PHE HA H 65 4.503 4.503 4.027 0.476 19007 3643 1 7 . 1 1 65 65 PHE C C 65 176.508 176.508 173.697 2.811 19007 3644 1 7 . 1 1 65 65 PHE CA C 65 56.760 56.760 58.443 -1.683 19007 3645 1 7 . 1 1 65 65 PHE CB C 65 40.430 40.430 37.588 2.842 19007 3646 1 7 . 1 1 65 65 PHE H H 65 8.580 8.580 7.967 0.613 19007 3647 1 7 . 1 1 66 66 LEU N N 66 125.260 125.260 120.946 4.314 19007 3648 1 7 . 1 1 66 66 LEU HA H 66 4.288 4.288 4.352 -0.064 19007 3649 1 7 . 1 1 66 66 LEU C C 66 176.508 176.508 175.839 0.669 19007 3650 1 7 . 1 1 66 66 LEU CA C 66 53.080 53.080 54.114 -1.034 19007 3651 1 7 . 1 1 66 66 LEU CB C 66 43.170 43.170 43.985 -0.815 19007 3652 1 7 . 1 1 66 66 LEU H H 66 8.040 8.040 7.652 0.388 19007 3653 1 7 . 1 1 67 67 TYR N N 67 120.480 120.480 124.874 -4.394 19007 3654 1 7 . 1 1 67 67 TYR HA H 67 4.515 4.515 4.362 0.153 19007 3655 1 7 . 1 1 67 67 TYR C C 67 177.791 177.791 177.113 0.678 19007 3656 1 7 . 1 1 67 67 TYR CA C 67 58.120 58.120 58.518 -0.398 19007 3657 1 7 . 1 1 67 67 TYR CB C 67 39.320 39.320 37.930 1.390 19007 3658 1 7 . 1 1 67 67 TYR H H 67 7.880 7.880 8.600 -0.720 19007 3659 1 7 . 1 1 68 68 LYS N N 68 125.020 125.020 125.547 -0.527 19007 3660 1 7 . 1 1 68 68 LYS HA H 68 4.034 4.034 3.998 0.036 19007 3661 1 7 . 1 1 68 68 LYS C C 68 178.364 178.364 177.998 0.366 19007 3662 1 7 . 1 1 68 68 LYS CA C 68 60.130 60.130 58.810 1.320 19007 3663 1 7 . 1 1 68 68 LYS CB C 68 32.150 32.150 32.239 -0.089 19007 3664 1 7 . 1 1 68 68 LYS H H 68 9.120 9.120 8.728 0.392 19007 3665 1 7 . 1 1 69 69 GLU N N 69 116.430 116.430 118.500 -2.070 19007 3666 1 7 . 1 1 69 69 GLU HA H 69 4.133 4.133 4.113 0.020 19007 3667 1 7 . 1 1 69 69 GLU C C 69 179.538 179.538 179.032 0.506 19007 3668 1 7 . 1 1 69 69 GLU CA C 69 60.030 60.030 59.683 0.347 19007 3669 1 7 . 1 1 69 69 GLU CB C 69 28.560 28.560 28.767 -0.207 19007 3670 1 7 . 1 1 69 69 GLU H H 69 9.460 9.460 8.854 0.606 19007 3671 1 7 . 1 1 70 70 GLN N N 70 117.670 117.670 117.569 0.101 19007 3672 1 7 . 1 1 70 70 GLN HA H 70 4.120 4.120 4.157 -0.037 19007 3673 1 7 . 1 1 70 70 GLN C C 70 177.955 177.955 178.503 -0.548 19007 3674 1 7 . 1 1 70 70 GLN CA C 70 57.950 57.950 58.040 -0.090 19007 3675 1 7 . 1 1 70 70 GLN CB C 70 29.290 29.290 28.407 0.884 19007 3676 1 7 . 1 1 70 70 GLN H H 70 7.000 7.000 7.752 -0.752 19007 3677 1 7 . 1 1 71 71 GLU N N 71 120.850 120.850 120.066 0.784 19007 3678 1 7 . 1 1 71 71 GLU HA H 71 3.668 3.668 4.057 -0.389 19007 3679 1 7 . 1 1 71 71 GLU C C 71 179.429 179.429 179.023 0.406 19007 3680 1 7 . 1 1 71 71 GLU CA C 71 60.620 60.620 59.296 1.324 19007 3681 1 7 . 1 1 71 71 GLU CB C 71 29.660 29.660 29.364 0.296 19007 3682 1 7 . 1 1 71 71 GLU H H 71 8.080 8.080 7.554 0.526 19007 3683 1 7 . 1 1 72 72 GLU N N 72 119.670 119.670 120.867 -1.197 19007 3684 1 7 . 1 1 72 72 GLU HA H 72 4.038 4.038 3.969 0.069 19007 3685 1 7 . 1 1 72 72 GLU C C 72 178.446 178.446 178.580 -0.134 19007 3686 1 7 . 1 1 72 72 GLU CA C 72 59.690 59.690 59.746 -0.056 19007 3687 1 7 . 1 1 72 72 GLU CB C 72 29.350 29.350 29.440 -0.090 19007 3688 1 7 . 1 1 72 72 GLU H H 72 8.390 8.390 8.265 0.125 19007 3689 1 7 . 1 1 73 73 GLN N N 73 119.030 119.030 116.995 2.035 19007 3690 1 7 . 1 1 73 73 GLN HA H 73 4.110 4.110 4.086 0.024 19007 3691 1 7 . 1 1 73 73 GLN C C 73 179.320 179.320 177.470 1.850 19007 3692 1 7 . 1 1 73 73 GLN CA C 73 59.470 59.470 58.436 1.034 19007 3693 1 7 . 1 1 73 73 GLN CB C 73 29.480 29.480 28.569 0.911 19007 3694 1 7 . 1 1 73 73 GLN H H 73 7.730 7.730 8.023 -0.293 19007 3695 1 7 . 1 1 74 74 LEU N N 74 119.760 119.760 114.695 5.065 19007 3696 1 7 . 1 1 74 74 LEU HA H 74 3.918 3.918 4.620 -0.702 19007 3697 1 7 . 1 1 74 74 LEU C C 74 177.818 177.818 178.772 -0.954 19007 3698 1 7 . 1 1 74 74 LEU CA C 74 58.720 58.720 56.819 1.901 19007 3699 1 7 . 1 1 74 74 LEU CB C 74 42.890 42.890 42.298 0.592 19007 3700 1 7 . 1 1 74 74 LEU H H 74 8.290 8.290 7.227 1.063 19007 3701 1 7 . 1 1 75 75 THR N N 75 113.520 113.520 117.009 -3.489 19007 3702 1 7 . 1 1 75 75 THR HA H 75 3.680 3.680 4.045 -0.365 19007 3703 1 7 . 1 1 75 75 THR C C 75 176.480 176.480 176.329 0.151 19007 3704 1 7 . 1 1 75 75 THR CA C 75 66.990 66.990 66.768 0.222 19007 3705 1 7 . 1 1 75 75 THR CB C 75 68.640 68.640 68.235 0.405 19007 3706 1 7 . 1 1 75 75 THR H H 75 8.450 8.450 8.383 0.067 19007 3707 1 7 . 1 1 76 76 GLU N N 76 121.340 121.340 121.893 -0.553 19007 3708 1 7 . 1 1 76 76 GLU HA H 76 4.014 4.014 4.004 0.010 19007 3709 1 7 . 1 1 76 76 GLU C C 76 178.965 178.965 177.985 0.980 19007 3710 1 7 . 1 1 76 76 GLU CA C 76 59.190 59.190 59.568 -0.378 19007 3711 1 7 . 1 1 76 76 GLU CB C 76 29.590 29.590 29.188 0.402 19007 3712 1 7 . 1 1 76 76 GLU H H 76 8.330 8.330 8.245 0.085 19007 3713 1 7 . 1 1 77 77 LEU N N 77 120.170 120.170 117.877 2.293 19007 3714 1 7 . 1 1 77 77 LEU HA H 77 3.955 3.955 4.095 -0.140 19007 3715 1 7 . 1 1 77 77 LEU C C 77 180.057 180.057 179.027 1.030 19007 3716 1 7 . 1 1 77 77 LEU CA C 77 58.510 58.510 58.035 0.475 19007 3717 1 7 . 1 1 77 77 LEU CB C 77 42.716 42.716 41.969 0.747 19007 3718 1 7 . 1 1 77 77 LEU H H 77 7.560 7.560 7.409 0.151 19007 3719 1 7 . 1 1 78 78 ILE N N 78 119.930 119.930 118.910 1.020 19007 3720 1 7 . 1 1 78 78 ILE HA H 78 3.429 3.429 3.801 -0.372 19007 3721 1 7 . 1 1 78 78 ILE C C 78 176.043 176.043 177.577 -1.534 19007 3722 1 7 . 1 1 78 78 ILE CA C 78 65.740 65.740 63.436 2.304 19007 3723 1 7 . 1 1 78 78 ILE CB C 78 37.960 37.960 37.629 0.331 19007 3724 1 7 . 1 1 78 78 ILE H H 78 7.740 7.740 7.895 -0.155 19007 3725 1 7 . 1 1 79 79 ALA N N 79 116.940 116.940 123.466 -6.526 19007 3726 1 7 . 1 1 79 79 ALA HA H 79 4.229 4.229 4.044 0.185 19007 3727 1 7 . 1 1 79 79 ALA C C 79 178.719 178.719 179.868 -1.149 19007 3728 1 7 . 1 1 79 79 ALA CA C 79 53.390 53.390 55.354 -1.964 19007 3729 1 7 . 1 1 79 79 ALA CB C 79 18.500 18.500 18.002 0.498 19007 3730 1 7 . 1 1 79 79 ALA H H 79 8.210 8.210 8.648 -0.438 19007 3731 1 7 . 1 1 80 80 SER N N 80 113.260 113.260 113.677 -0.417 19007 3732 1 7 . 1 1 80 80 SER HA H 80 4.253 4.253 4.292 -0.039 19007 3733 1 7 . 1 1 80 80 SER C C 80 174.869 174.869 175.358 -0.489 19007 3734 1 7 . 1 1 80 80 SER CA C 80 60.550 60.550 60.589 -0.039 19007 3735 1 7 . 1 1 80 80 SER CB C 80 63.130 63.130 63.459 -0.329 19007 3736 1 7 . 1 1 80 80 SER H H 80 7.600 7.600 7.925 -0.325 19007 3737 1 7 . 1 1 81 81 LYS N N 81 123.510 123.510 117.301 6.209 19007 3738 1 7 . 1 1 81 81 LYS HA H 81 4.527 4.527 4.722 -0.195 19007 3739 1 7 . 1 1 81 81 LYS C C 81 176.289 176.289 175.339 0.950 19007 3740 1 7 . 1 1 81 81 LYS CA C 81 54.000 54.000 55.275 -1.274 19007 3741 1 7 . 1 1 81 81 LYS CB C 81 30.440 30.440 32.869 -2.429 19007 3742 1 7 . 1 1 81 81 LYS H H 81 7.690 7.690 7.944 -0.254 19007 3743 1 7 . 1 1 82 82 LYS N N 82 120.760 120.760 120.789 -0.029 19007 3744 1 7 . 1 1 82 82 LYS HA H 82 4.539 4.539 4.272 0.267 19007 3745 1 7 . 1 1 82 82 LYS C C 82 176.835 176.835 176.329 0.506 19007 3746 1 7 . 1 1 82 82 LYS CA C 82 59.090 59.090 56.589 2.501 19007 3747 1 7 . 1 1 82 82 LYS CB C 82 32.330 32.330 30.578 1.752 19007 3748 1 7 . 1 1 82 82 LYS H H 82 8.190 8.190 7.660 0.530 19007 3749 1 7 . 1 1 83 83 ASP N N 83 117.280 117.280 120.160 -2.880 19007 3750 1 7 . 1 1 83 83 ASP HA H 83 4.659 4.659 4.527 0.132 19007 3751 1 7 . 1 1 83 83 ASP C C 83 174.460 174.460 175.858 -1.398 19007 3752 1 7 . 1 1 83 83 ASP CA C 83 55.390 55.390 55.360 0.030 19007 3753 1 7 . 1 1 83 83 ASP CB C 83 40.680 40.680 41.111 -0.431 19007 3754 1 7 . 1 1 83 83 ASP H H 83 8.670 8.670 8.144 0.526 19007 3755 1 7 . 1 1 84 84 LEU N N 84 117.780 117.780 118.733 -0.953 19007 3756 1 7 . 1 1 84 84 LEU HA H 84 5.100 5.100 4.353 0.747 19007 3757 1 7 . 1 1 84 84 LEU C C 84 176.753 176.753 177.508 -0.755 19007 3758 1 7 . 1 1 84 84 LEU CA C 84 54.560 54.560 53.742 0.818 19007 3759 1 7 . 1 1 84 84 LEU CB C 84 43.690 43.690 42.888 0.802 19007 3760 1 7 . 1 1 84 84 LEU H H 84 7.640 7.640 7.245 0.395 19007 3761 1 7 . 1 1 85 85 PHE N N 85 117.610 117.610 120.770 -3.160 19007 3762 1 7 . 1 1 85 85 PHE HA H 85 4.754 4.754 4.547 0.207 19007 3763 1 7 . 1 1 85 85 PHE C C 85 173.204 173.204 174.777 -1.573 19007 3764 1 7 . 1 1 85 85 PHE CA C 85 56.400 56.400 57.382 -0.982 19007 3765 1 7 . 1 1 85 85 PHE CB C 85 42.000 42.000 36.808 5.192 19007 3766 1 7 . 1 1 85 85 PHE H H 85 8.280 8.280 8.364 -0.084 19007 3767 1 7 . 1 1 86 86 VAL N N 86 123.600 123.600 121.044 2.556 19007 3768 1 7 . 1 1 86 86 VAL HA H 86 3.882 3.882 4.757 -0.875 19007 3769 1 7 . 1 1 86 86 VAL C C 86 174.651 174.651 175.000 -0.349 19007 3770 1 7 . 1 1 86 86 VAL CA C 86 63.640 63.640 61.302 2.338 19007 3771 1 7 . 1 1 86 86 VAL CB C 86 31.440 31.440 33.779 -2.339 19007 3772 1 7 . 1 1 86 86 VAL H H 86 8.880 8.880 7.981 0.899 19007 3773 1 7 . 1 1 87 87 HIS N N 87 130.690 130.690 126.664 4.026 19007 3774 1 7 . 1 1 87 87 HIS HA H 87 4.420 4.420 4.810 -0.390 19007 3775 1 7 . 1 1 87 87 HIS C C 87 175.497 175.497 173.736 1.761 19007 3776 1 7 . 1 1 87 87 HIS CA C 87 58.090 58.090 55.648 2.442 19007 3777 1 7 . 1 1 87 87 HIS CB C 87 32.870 32.870 32.870 0.000 19007 3778 1 7 . 1 1 87 87 HIS H H 87 9.320 9.320 9.211 0.109 19007 3779 1 7 . 1 1 88 88 SER N N 88 109.280 109.280 122.375 -13.095 19007 3780 1 7 . 1 1 88 88 SER HA H 88 4.503 4.503 5.493 -0.990 19007 3781 1 7 . 1 1 88 88 SER C C 88 172.248 172.248 173.327 -1.079 19007 3782 1 7 . 1 1 88 88 SER CA C 88 57.560 57.560 57.492 0.068 19007 3783 1 7 . 1 1 88 88 SER CB C 88 64.890 64.890 65.235 -0.345 19007 3784 1 7 . 1 1 88 88 SER H H 88 7.370 7.370 8.652 -1.282 19007 3785 1 7 . 1 1 89 89 ILE N N 89 122.260 122.260 122.235 0.025 19007 3786 1 7 . 1 1 89 89 ILE HA H 89 4.265 4.265 4.426 -0.161 19007 3787 1 7 . 1 1 89 89 ILE C C 89 174.569 174.569 172.875 1.694 19007 3788 1 7 . 1 1 89 89 ILE CA C 89 61.110 61.110 60.577 0.534 19007 3789 1 7 . 1 1 89 89 ILE CB C 89 39.960 39.960 41.716 -1.756 19007 3790 1 7 . 1 1 89 89 ILE H H 89 8.400 8.400 8.932 -0.532 19007 3791 1 7 . 1 1 90 90 ASP N N 90 126.690 126.690 124.266 2.424 19007 3792 1 7 . 1 1 90 90 ASP HA H 90 5.064 5.064 5.511 -0.447 19007 3793 1 7 . 1 1 90 90 ASP C C 90 174.469 174.469 176.168 -1.699 19007 3794 1 7 . 1 1 90 90 ASP CA C 90 53.600 53.600 52.411 1.189 19007 3795 1 7 . 1 1 90 90 ASP CB C 90 44.230 44.230 43.310 0.920 19007 3796 1 7 . 1 1 90 90 ASP H H 90 8.800 8.800 8.383 0.417 19007 3797 1 7 . 1 1 91 91 SER N N 91 116.760 116.760 118.133 -1.373 19007 3798 1 7 . 1 1 91 91 SER HA H 91 4.781 4.781 4.475 0.306 19007 3799 1 7 . 1 1 91 91 SER C C 91 173.164 173.164 174.321 -1.157 19007 3800 1 7 . 1 1 91 91 SER CA C 91 57.430 57.430 57.984 -0.554 19007 3801 1 7 . 1 1 91 91 SER CB C 91 65.250 65.250 62.275 2.975 19007 3802 1 7 . 1 1 91 91 SER H H 91 8.500 8.500 8.535 -0.035 19007 3803 1 7 . 1 1 92 92 GLU N N 92 123.420 123.420 121.628 1.792 19007 3804 1 7 . 1 1 92 92 GLU HA H 92 4.355 4.355 4.344 0.011 19007 3805 1 7 . 1 1 92 92 GLU C C 92 176.419 176.419 176.379 0.040 19007 3806 1 7 . 1 1 92 92 GLU CA C 92 56.250 56.250 55.979 0.271 19007 3807 1 7 . 1 1 92 92 GLU CB C 92 30.730 30.730 30.092 0.638 19007 3808 1 7 . 1 1 92 92 GLU H H 92 8.620 8.620 8.200 0.420 19007 3809 1 7 . 1 1 93 93 VAL N N 93 122.090 122.090 124.888 -2.798 19007 3810 1 7 . 1 1 93 93 VAL HA H 93 4.105 4.105 4.166 -0.061 19007 3811 1 7 . 1 1 93 93 VAL CA C 93 62.240 62.240 61.400 0.841 19007 3812 1 7 . 1 1 93 93 VAL CB C 93 32.860 32.860 31.358 1.502 19007 3813 1 7 . 1 1 93 93 VAL H H 93 8.220 8.220 8.502 -0.282 19007 3814 1 7 . 1 1 96 96 LYS HA H 96 4.079 4.079 4.483 -0.404 19007 3815 1 7 . 1 1 96 96 LYS C C 96 176.053 176.053 175.592 0.461 19007 3816 1 7 . 1 1 96 96 LYS CA C 96 62.497 62.497 55.695 6.802 19007 3817 1 7 . 1 1 96 96 LYS CB C 96 32.776 32.776 32.759 0.017 19007 3818 1 7 . 1 1 97 97 LYS N N 97 126.170 126.170 126.176 -0.006 19007 3819 1 7 . 1 1 97 97 LYS HA H 97 4.300 4.300 4.448 -0.148 19007 3820 1 7 . 1 1 97 97 LYS C C 97 176.665 176.665 175.541 1.124 19007 3821 1 7 . 1 1 97 97 LYS CA C 97 56.730 56.730 56.347 0.383 19007 3822 1 7 . 1 1 97 97 LYS CB C 97 33.020 33.020 34.450 -1.430 19007 3823 1 7 . 1 1 97 97 LYS H H 97 8.500 8.500 8.516 -0.016 19007 3824 1 7 . 1 1 98 98 GLU N N 98 122.020 122.020 125.867 -3.847 19007 3825 1 7 . 1 1 98 98 GLU HA H 98 4.226 4.226 4.448 -0.222 19007 3826 1 7 . 1 1 98 98 GLU C C 98 176.382 176.382 175.624 0.758 19007 3827 1 7 . 1 1 98 98 GLU CA C 98 56.890 56.890 55.830 1.060 19007 3828 1 7 . 1 1 98 98 GLU CB C 98 30.410 30.410 29.147 1.263 19007 3829 1 7 . 1 1 98 98 GLU H H 98 8.470 8.470 8.808 -0.338 19007 3830 1 7 . 1 1 99 99 ALA N N 99 124.770 124.770 128.352 -3.582 19007 3831 1 7 . 1 1 99 99 ALA HA H 99 4.281 4.281 4.409 -0.128 19007 3832 1 7 . 1 1 99 99 ALA C C 99 177.723 177.723 176.901 0.822 19007 3833 1 7 . 1 1 99 99 ALA CA C 99 52.880 52.880 51.574 1.306 19007 3834 1 7 . 1 1 99 99 ALA CB C 99 19.320 19.320 18.781 0.539 19007 3835 1 7 . 1 1 99 99 ALA H H 99 8.310 8.310 8.413 -0.103 19007 3836 1 7 . 1 1 100 100 GLN N N 100 119.190 119.190 123.418 -4.228 19007 3837 1 7 . 1 1 100 100 GLN HA H 100 4.266 4.266 4.196 0.070 19007 3838 1 7 . 1 1 100 100 GLN CA C 100 56.000 56.000 55.115 0.885 19007 3839 1 7 . 1 1 100 100 GLN CB C 100 29.970 29.970 29.032 0.938 19007 3840 1 7 . 1 1 100 100 GLN H H 100 8.280 8.280 8.232 0.048 19007 3841 1 7 . 1 1 101 101 GLN N N 101 120.421 120.421 126.141 -5.720 19007 3842 1 7 . 1 1 101 101 GLN HA H 101 4.650 4.650 4.323 0.327 19007 3843 1 7 . 1 1 101 101 GLN C C 101 175.725 175.725 175.113 0.612 19007 3844 1 7 . 1 1 101 101 GLN CA C 101 56.073 56.073 56.189 -0.116 19007 3845 1 7 . 1 1 101 101 GLN CB C 101 29.524 29.524 28.278 1.246 19007 3846 1 7 . 1 1 101 101 GLN H H 101 8.114 8.114 8.590 -0.476 19007 3847 1 7 . 1 1 102 102 ILE N N 102 122.940 122.940 125.829 -2.889 19007 3848 1 7 . 1 1 102 102 ILE HA H 102 4.119 4.119 4.392 -0.273 19007 3849 1 7 . 1 1 102 102 ILE C C 102 175.916 175.916 174.254 1.662 19007 3850 1 7 . 1 1 102 102 ILE CA C 102 61.260 61.260 60.701 0.559 19007 3851 1 7 . 1 1 102 102 ILE CB C 102 38.790 38.790 40.115 -1.325 19007 3852 1 7 . 1 1 102 102 ILE H H 102 8.240 8.240 8.072 0.168 19007 3853 1 7 . 1 1 103 103 ARG N N 103 125.780 125.780 126.734 -0.954 19007 3854 1 7 . 1 1 103 103 ARG HA H 103 4.369 4.369 4.731 -0.362 19007 3855 1 7 . 1 1 103 103 ARG C C 103 175.752 175.752 175.458 0.294 19007 3856 1 7 . 1 1 103 103 ARG CA C 103 55.940 55.940 55.039 0.901 19007 3857 1 7 . 1 1 103 103 ARG CB C 103 31.340 31.340 31.788 -0.449 19007 3858 1 7 . 1 1 103 103 ARG H H 103 8.400 8.400 8.292 0.108 19007 3859 1 7 . 1 1 104 104 GLU N N 104 123.840 123.840 121.133 2.707 19007 3860 1 7 . 1 1 104 104 GLU HA H 104 4.296 4.296 4.260 0.036 19007 3861 1 7 . 1 1 104 104 GLU C C 104 175.314 175.314 176.658 -1.344 19007 3862 1 7 . 1 1 104 104 GLU CA C 104 56.430 56.430 57.338 -0.908 19007 3863 1 7 . 1 1 104 104 GLU CB C 104 30.560 30.560 30.135 0.425 19007 3864 1 7 . 1 1 104 104 GLU H H 104 8.510 8.510 8.729 -0.219 19007 3865 1 8 . 1 1 6 6 THR HA H 6 4.321 4.321 4.144 0.177 19007 3866 1 8 . 1 1 6 6 THR C C 6 174.339 174.339 174.173 0.166 19007 3867 1 8 . 1 1 6 6 THR CA C 6 62.139 62.139 64.031 -1.891 19007 3868 1 8 . 1 1 6 6 THR CB C 6 69.788 69.788 69.465 0.324 19007 3869 1 8 . 1 1 7 7 LYS N N 7 124.350 124.350 118.152 6.198 19007 3870 1 8 . 1 1 7 7 LYS HA H 7 4.265 4.265 4.403 -0.138 19007 3871 1 8 . 1 1 7 7 LYS C C 7 176.341 176.341 174.263 2.078 19007 3872 1 8 . 1 1 7 7 LYS CA C 7 56.980 56.980 55.675 1.305 19007 3873 1 8 . 1 1 7 7 LYS CB C 7 33.110 33.110 34.199 -1.089 19007 3874 1 8 . 1 1 7 7 LYS H H 7 8.320 8.320 7.985 0.335 19007 3875 1 8 . 1 1 8 8 LYS N N 8 123.170 123.170 118.941 4.229 19007 3876 1 8 . 1 1 8 8 LYS HA H 8 4.253 4.253 4.544 -0.291 19007 3877 1 8 . 1 1 8 8 LYS C C 8 176.083 176.083 176.062 0.021 19007 3878 1 8 . 1 1 8 8 LYS CA C 8 56.450 56.450 55.736 0.714 19007 3879 1 8 . 1 1 8 8 LYS CB C 8 33.480 33.480 34.480 -1.000 19007 3880 1 8 . 1 1 8 8 LYS H H 8 8.340 8.340 8.096 0.244 19007 3881 1 8 . 1 1 9 9 GLN N N 9 123.010 123.010 118.593 4.417 19007 3882 1 8 . 1 1 9 9 GLN HA H 9 4.289 4.289 4.492 -0.203 19007 3883 1 8 . 1 1 9 9 GLN C C 9 174.914 174.914 175.845 -0.931 19007 3884 1 8 . 1 1 9 9 GLN CA C 9 56.520 56.520 57.086 -0.566 19007 3885 1 8 . 1 1 9 9 GLN CB C 9 30.790 30.790 29.242 1.548 19007 3886 1 8 . 1 1 9 9 GLN H H 9 8.440 8.440 8.611 -0.171 19007 3887 1 8 . 1 1 10 10 GLN N N 10 121.180 121.180 120.626 0.554 19007 3888 1 8 . 1 1 10 10 GLN HA H 10 4.769 4.769 4.383 0.386 19007 3889 1 8 . 1 1 10 10 GLN C C 10 175.865 175.865 175.274 0.591 19007 3890 1 8 . 1 1 10 10 GLN CA C 10 55.580 55.580 55.823 -0.243 19007 3891 1 8 . 1 1 10 10 GLN CB C 10 29.630 29.630 28.706 0.924 19007 3892 1 8 . 1 1 10 10 GLN H H 10 8.170 8.170 8.181 -0.011 19007 3893 1 8 . 1 1 11 11 TYR N N 11 120.110 120.110 121.204 -1.094 19007 3894 1 8 . 1 1 11 11 TYR HA H 11 4.769 4.769 4.824 -0.055 19007 3895 1 8 . 1 1 11 11 TYR C C 11 174.319 174.319 172.777 1.542 19007 3896 1 8 . 1 1 11 11 TYR CA C 11 58.490 58.490 56.227 2.263 19007 3897 1 8 . 1 1 11 11 TYR CB C 11 39.350 39.350 40.016 -0.666 19007 3898 1 8 . 1 1 11 11 TYR H H 11 8.470 8.470 8.370 0.100 19007 3899 1 8 . 1 1 12 12 VAL N N 12 117.030 117.030 120.228 -3.198 19007 3900 1 8 . 1 1 12 12 VAL HA H 12 4.793 4.793 5.065 -0.272 19007 3901 1 8 . 1 1 12 12 VAL C C 12 174.636 174.636 174.712 -0.076 19007 3902 1 8 . 1 1 12 12 VAL CA C 12 60.730 60.730 60.807 -0.077 19007 3903 1 8 . 1 1 12 12 VAL CB C 12 34.790 34.790 35.699 -0.909 19007 3904 1 8 . 1 1 12 12 VAL H H 12 7.590 7.590 8.360 -0.770 19007 3905 1 8 . 1 1 13 13 THR N N 13 121.770 121.770 121.853 -0.083 19007 3906 1 8 . 1 1 13 13 THR HA H 13 4.615 4.615 4.822 -0.207 19007 3907 1 8 . 1 1 13 13 THR C C 13 173.030 173.030 172.501 0.529 19007 3908 1 8 . 1 1 13 13 THR CA C 13 61.540 61.540 61.261 0.279 19007 3909 1 8 . 1 1 13 13 THR CB C 13 71.050 71.050 70.861 0.189 19007 3910 1 8 . 1 1 13 13 THR H H 13 8.620 8.620 9.039 -0.419 19007 3911 1 8 . 1 1 14 14 ILE N N 14 126.190 126.190 127.215 -1.025 19007 3912 1 8 . 1 1 14 14 ILE HA H 14 4.781 4.781 4.615 0.166 19007 3913 1 8 . 1 1 14 14 ILE C C 14 175.112 175.112 174.579 0.533 19007 3914 1 8 . 1 1 14 14 ILE CA C 14 61.120 61.120 60.591 0.529 19007 3915 1 8 . 1 1 14 14 ILE CB C 14 40.340 40.340 40.999 -0.659 19007 3916 1 8 . 1 1 14 14 ILE H H 14 8.890 8.890 8.578 0.312 19007 3917 1 8 . 1 1 15 15 LYS N N 15 127.020 127.020 126.720 0.300 19007 3918 1 8 . 1 1 15 15 LYS HA H 15 4.734 4.734 4.841 -0.107 19007 3919 1 8 . 1 1 15 15 LYS C C 15 175.409 175.409 175.239 0.170 19007 3920 1 8 . 1 1 15 15 LYS CA C 15 54.740 54.740 54.902 -0.162 19007 3921 1 8 . 1 1 15 15 LYS CB C 15 35.430 35.430 35.479 -0.049 19007 3922 1 8 . 1 1 15 15 LYS H H 15 8.850 8.850 9.160 -0.310 19007 3923 1 8 . 1 1 16 16 GLY N N 16 112.120 112.120 110.159 1.961 19007 3924 1 8 . 1 1 16 16 GLY C C 16 172.566 172.566 173.329 -0.763 19007 3925 1 8 . 1 1 16 16 GLY CA C 16 45.560 45.560 45.672 -0.112 19007 3926 1 8 . 1 1 16 16 GLY H H 16 8.870 8.870 8.648 0.222 19007 3927 1 8 . 1 1 17 17 THR N N 17 114.520 114.520 114.909 -0.389 19007 3928 1 8 . 1 1 17 17 THR HA H 17 4.753 4.753 4.325 0.428 19007 3929 1 8 . 1 1 17 17 THR CA C 17 60.360 60.360 60.990 -0.630 19007 3930 1 8 . 1 1 17 17 THR CB C 17 72.040 72.040 68.646 3.394 19007 3931 1 8 . 1 1 17 17 THR H H 17 8.380 8.380 7.780 0.600 19007 3932 1 8 . 1 1 19 19 ASN HA H 19 4.778 4.778 5.550 -0.772 19007 3933 1 8 . 1 1 19 19 ASN C C 19 174.616 174.616 176.079 -1.463 19007 3934 1 8 . 1 1 19 19 ASN CA C 19 53.700 53.700 51.323 2.377 19007 3935 1 8 . 1 1 19 19 ASN CB C 19 39.018 39.018 42.430 -3.412 19007 3936 1 8 . 1 1 20 20 GLY N N 20 108.600 108.600 107.948 0.652 19007 3937 1 8 . 1 1 20 20 GLY C C 20 172.297 172.297 173.494 -1.197 19007 3938 1 8 . 1 1 20 20 GLY CA C 20 46.310 46.310 46.167 0.143 19007 3939 1 8 . 1 1 20 20 GLY H H 20 7.590 7.590 8.583 -0.993 19007 3940 1 8 . 1 1 21 21 LEU N N 21 123.210 123.210 120.769 2.441 19007 3941 1 8 . 1 1 21 21 LEU HA H 21 5.015 5.015 4.783 0.232 19007 3942 1 8 . 1 1 21 21 LEU C C 21 176.202 176.202 174.377 1.825 19007 3943 1 8 . 1 1 21 21 LEU CA C 21 54.090 54.090 55.440 -1.350 19007 3944 1 8 . 1 1 21 21 LEU CB C 21 45.940 45.940 44.010 1.931 19007 3945 1 8 . 1 1 21 21 LEU H H 21 8.760 8.760 7.957 0.803 19007 3946 1 8 . 1 1 22 22 THR N N 22 120.430 120.430 123.622 -3.192 19007 3947 1 8 . 1 1 22 22 THR HA H 22 5.191 5.191 4.774 0.417 19007 3948 1 8 . 1 1 22 22 THR C C 22 172.852 172.852 173.168 -0.316 19007 3949 1 8 . 1 1 22 22 THR CA C 22 61.850 61.850 61.653 0.197 19007 3950 1 8 . 1 1 22 22 THR CB C 22 69.800 69.800 69.361 0.439 19007 3951 1 8 . 1 1 22 22 THR H H 22 9.150 9.150 8.668 0.482 19007 3952 1 8 . 1 1 23 23 LEU N N 23 127.110 127.110 123.095 4.015 19007 3953 1 8 . 1 1 23 23 LEU HA H 23 4.910 4.910 5.507 -0.597 19007 3954 1 8 . 1 1 23 23 LEU C C 23 174.200 174.200 174.268 -0.068 19007 3955 1 8 . 1 1 23 23 LEU CA C 23 52.770 52.770 53.449 -0.679 19007 3956 1 8 . 1 1 23 23 LEU CB C 23 44.220 44.220 45.801 -1.581 19007 3957 1 8 . 1 1 23 23 LEU H H 23 8.870 8.870 7.920 0.950 19007 3958 1 8 . 1 1 24 24 HIS N N 24 124.600 124.600 119.817 4.783 19007 3959 1 8 . 1 1 24 24 HIS HA H 24 4.875 4.875 5.840 -0.965 19007 3960 1 8 . 1 1 24 24 HIS C C 24 174.033 174.033 172.866 1.167 19007 3961 1 8 . 1 1 24 24 HIS CA C 24 56.000 56.000 55.484 0.516 19007 3962 1 8 . 1 1 24 24 HIS CB C 24 30.400 30.400 34.328 -3.928 19007 3963 1 8 . 1 1 24 24 HIS H H 24 9.160 9.160 9.213 -0.053 19007 3964 1 8 . 1 1 25 25 LEU N N 25 125.950 125.950 127.162 -1.212 19007 3965 1 8 . 1 1 25 25 LEU HA H 25 4.382 4.382 4.886 -0.504 19007 3966 1 8 . 1 1 25 25 LEU C C 25 175.806 175.806 173.685 2.121 19007 3967 1 8 . 1 1 25 25 LEU CA C 25 53.250 53.250 53.824 -0.574 19007 3968 1 8 . 1 1 25 25 LEU CB C 25 41.030 41.030 46.068 -5.038 19007 3969 1 8 . 1 1 25 25 LEU H H 25 8.420 8.420 7.617 0.803 19007 3970 1 8 . 1 1 26 26 ASP N N 26 126.170 126.170 128.485 -2.315 19007 3971 1 8 . 1 1 26 26 ASP HA H 26 4.344 4.344 5.062 -0.718 19007 3972 1 8 . 1 1 26 26 ASP C C 26 176.302 176.302 174.810 1.492 19007 3973 1 8 . 1 1 26 26 ASP CA C 26 56.480 56.480 54.000 2.480 19007 3974 1 8 . 1 1 26 26 ASP CB C 26 43.880 43.880 41.707 2.173 19007 3975 1 8 . 1 1 26 26 ASP H H 26 8.630 8.630 8.236 0.394 19007 3976 1 8 . 1 1 27 27 ASP N N 27 122.430 122.430 122.570 -0.140 19007 3977 1 8 . 1 1 27 27 ASP HA H 27 4.540 4.540 4.777 -0.237 19007 3978 1 8 . 1 1 27 27 ASP C C 27 176.381 176.381 173.790 2.591 19007 3979 1 8 . 1 1 27 27 ASP CA C 27 54.060 54.060 53.701 0.359 19007 3980 1 8 . 1 1 27 27 ASP CB C 27 40.820 40.820 44.995 -4.175 19007 3981 1 8 . 1 1 27 27 ASP H H 27 8.150 8.150 8.375 -0.225 19007 3982 1 8 . 1 1 28 28 ALA N N 28 123.520 123.520 121.201 2.319 19007 3983 1 8 . 1 1 28 28 ALA HA H 28 4.600 4.600 4.607 -0.007 19007 3984 1 8 . 1 1 28 28 ALA C C 28 178.324 178.324 176.180 2.144 19007 3985 1 8 . 1 1 28 28 ALA CA C 28 52.860 52.860 52.026 0.834 19007 3986 1 8 . 1 1 28 28 ALA CB C 28 20.790 20.790 20.811 -0.021 19007 3987 1 8 . 1 1 28 28 ALA H H 28 8.480 8.480 8.370 0.110 19007 3988 1 8 . 1 1 29 29 CYS N N 29 115.580 115.580 117.444 -1.864 19007 3989 1 8 . 1 1 29 29 CYS HA H 29 4.680 4.680 4.241 0.439 19007 3990 1 8 . 1 1 29 29 CYS C C 29 174.696 174.696 174.315 0.381 19007 3991 1 8 . 1 1 29 29 CYS CA C 29 56.060 56.060 59.433 -3.373 19007 3992 1 8 . 1 1 29 29 CYS CB C 29 29.050 29.050 25.158 3.892 19007 3993 1 8 . 1 1 29 29 CYS H H 29 7.510 7.510 8.695 -1.185 19007 3994 1 8 . 1 1 30 30 SER N N 30 119.090 119.090 113.900 5.190 19007 3995 1 8 . 1 1 30 30 SER HA H 30 4.500 4.500 4.326 0.174 19007 3996 1 8 . 1 1 30 30 SER CA C 30 58.370 58.370 56.751 1.619 19007 3997 1 8 . 1 1 30 30 SER CB C 30 64.170 64.170 64.779 -0.609 19007 3998 1 8 . 1 1 30 30 SER H H 30 9.170 9.170 7.503 1.667 19007 3999 1 8 . 1 1 31 31 PHE HA H 31 4.041 4.041 4.804 -0.763 19007 4000 1 8 . 1 1 31 31 PHE C C 31 176.440 176.440 176.078 0.362 19007 4001 1 8 . 1 1 31 31 PHE CA C 31 62.491 62.491 56.672 5.819 19007 4002 1 8 . 1 1 31 31 PHE CB C 31 39.018 39.018 39.588 -0.570 19007 4003 1 8 . 1 1 32 32 ASP N N 32 116.020 116.020 120.059 -4.039 19007 4004 1 8 . 1 1 32 32 ASP HA H 32 4.139 4.139 4.666 -0.527 19007 4005 1 8 . 1 1 32 32 ASP C C 32 178.978 178.978 176.650 2.328 19007 4006 1 8 . 1 1 32 32 ASP CA C 32 57.670 57.670 53.657 4.013 19007 4007 1 8 . 1 1 32 32 ASP CB C 32 40.290 40.290 40.456 -0.166 19007 4008 1 8 . 1 1 32 32 ASP H H 32 8.370 8.370 8.883 -0.513 19007 4009 1 8 . 1 1 33 33 GLU N N 33 120.170 120.170 120.486 -0.316 19007 4010 1 8 . 1 1 33 33 GLU HA H 33 4.149 4.149 4.086 0.063 19007 4011 1 8 . 1 1 33 33 GLU C C 33 179.256 179.256 178.262 0.994 19007 4012 1 8 . 1 1 33 33 GLU CA C 33 58.810 58.810 58.978 -0.168 19007 4013 1 8 . 1 1 33 33 GLU CB C 33 29.510 29.510 29.006 0.504 19007 4014 1 8 . 1 1 33 33 GLU H H 33 7.560 7.560 8.777 -1.217 19007 4015 1 8 . 1 1 34 34 LEU N N 34 121.930 121.930 118.602 3.328 19007 4016 1 8 . 1 1 34 34 LEU HA H 34 3.755 3.755 4.274 -0.519 19007 4017 1 8 . 1 1 34 34 LEU C C 34 178.205 178.205 178.687 -0.482 19007 4018 1 8 . 1 1 34 34 LEU CA C 34 57.910 57.910 56.590 1.320 19007 4019 1 8 . 1 1 34 34 LEU CB C 34 41.980 41.980 40.974 1.006 19007 4020 1 8 . 1 1 34 34 LEU H H 34 7.730 7.730 8.227 -0.497 19007 4021 1 8 . 1 1 35 35 LEU N N 35 118.190 118.190 120.774 -2.584 19007 4022 1 8 . 1 1 35 35 LEU HA H 35 3.575 3.575 4.194 -0.619 19007 4023 1 8 . 1 1 35 35 LEU C C 35 179.295 179.295 178.216 1.079 19007 4024 1 8 . 1 1 35 35 LEU CA C 35 57.990 57.990 57.457 0.533 19007 4025 1 8 . 1 1 35 35 LEU CB C 35 40.900 40.900 42.326 -1.426 19007 4026 1 8 . 1 1 35 35 LEU H H 35 7.880 7.880 7.734 0.146 19007 4027 1 8 . 1 1 36 36 ASP N N 36 118.760 118.760 120.293 -1.533 19007 4028 1 8 . 1 1 36 36 ASP HA H 36 4.308 4.308 4.307 0.001 19007 4029 1 8 . 1 1 36 36 ASP C C 36 178.819 178.819 178.359 0.460 19007 4030 1 8 . 1 1 36 36 ASP CA C 36 57.570 57.570 57.773 -0.203 19007 4031 1 8 . 1 1 36 36 ASP CB C 36 41.500 41.500 40.601 0.899 19007 4032 1 8 . 1 1 36 36 ASP H H 36 7.580 7.580 8.816 -1.236 19007 4033 1 8 . 1 1 37 37 GLY N N 37 107.520 107.520 107.422 0.098 19007 4034 1 8 . 1 1 37 37 GLY C C 37 176.678 176.678 176.714 -0.036 19007 4035 1 8 . 1 1 37 37 GLY CA C 37 47.340 47.340 47.199 0.141 19007 4036 1 8 . 1 1 37 37 GLY H H 37 8.210 8.210 8.128 0.082 19007 4037 1 8 . 1 1 38 38 LEU N N 38 123.680 123.680 123.342 0.338 19007 4038 1 8 . 1 1 38 38 LEU HA H 38 4.007 4.007 4.166 -0.159 19007 4039 1 8 . 1 1 38 38 LEU C C 38 177.769 177.769 178.581 -0.812 19007 4040 1 8 . 1 1 38 38 LEU CA C 38 57.970 57.970 57.385 0.586 19007 4041 1 8 . 1 1 38 38 LEU CB C 38 42.250 42.250 41.438 0.812 19007 4042 1 8 . 1 1 38 38 LEU H H 38 8.800 8.800 7.324 1.476 19007 4043 1 8 . 1 1 39 39 GLN N N 39 118.840 118.840 118.755 0.085 19007 4044 1 8 . 1 1 39 39 GLN HA H 39 3.887 3.887 3.961 -0.074 19007 4045 1 8 . 1 1 39 39 GLN C C 39 178.443 178.443 178.413 0.030 19007 4046 1 8 . 1 1 39 39 GLN CA C 39 59.450 59.450 59.057 0.393 19007 4047 1 8 . 1 1 39 39 GLN CB C 39 28.400 28.400 28.066 0.334 19007 4048 1 8 . 1 1 39 39 GLN H H 39 8.460 8.460 8.287 0.173 19007 4049 1 8 . 1 1 40 40 ASN N N 40 116.110 116.110 118.695 -2.585 19007 4050 1 8 . 1 1 40 40 ASN HA H 40 4.488 4.488 4.405 0.083 19007 4051 1 8 . 1 1 40 40 ASN C C 40 177.491 177.491 177.077 0.414 19007 4052 1 8 . 1 1 40 40 ASN CA C 40 56.330 56.330 56.424 -0.094 19007 4053 1 8 . 1 1 40 40 ASN CB C 40 39.230 39.230 38.763 0.467 19007 4054 1 8 . 1 1 40 40 ASN H H 40 7.810 7.810 8.627 -0.817 19007 4055 1 8 . 1 1 41 41 MET N N 41 119.840 119.840 120.405 -0.565 19007 4056 1 8 . 1 1 41 41 MET HA H 41 4.344 4.344 4.128 0.215 19007 4057 1 8 . 1 1 41 41 MET C C 41 177.551 177.551 178.100 -0.549 19007 4058 1 8 . 1 1 41 41 MET CA C 41 58.140 58.140 59.043 -0.903 19007 4059 1 8 . 1 1 41 41 MET CB C 41 32.600 32.600 32.690 -0.090 19007 4060 1 8 . 1 1 41 41 MET H H 41 8.060 8.060 7.490 0.570 19007 4061 1 8 . 1 1 42 42 LEU N N 42 116.680 116.680 119.228 -2.548 19007 4062 1 8 . 1 1 42 42 LEU HA H 42 4.236 4.236 3.898 0.338 19007 4063 1 8 . 1 1 42 42 LEU C C 42 177.055 177.055 179.022 -1.967 19007 4064 1 8 . 1 1 42 42 LEU CA C 42 55.850 55.850 58.103 -2.253 19007 4065 1 8 . 1 1 42 42 LEU CB C 42 41.490 41.490 41.844 -0.354 19007 4066 1 8 . 1 1 42 42 LEU H H 42 8.280 8.280 8.215 0.065 19007 4067 1 8 . 1 1 43 43 SER N N 43 113.420 113.420 112.012 1.408 19007 4068 1 8 . 1 1 43 43 SER HA H 43 4.452 4.452 4.301 0.151 19007 4069 1 8 . 1 1 43 43 SER C C 43 174.755 174.755 175.142 -0.387 19007 4070 1 8 . 1 1 43 43 SER CA C 43 59.340 59.340 61.211 -1.871 19007 4071 1 8 . 1 1 43 43 SER CB C 43 63.580 63.580 63.075 0.506 19007 4072 1 8 . 1 1 43 43 SER H H 43 7.650 7.650 7.911 -0.261 19007 4073 1 8 . 1 1 44 44 ILE N N 44 120.390 120.390 119.161 1.229 19007 4074 1 8 . 1 1 44 44 ILE HA H 44 4.188 4.188 3.917 0.271 19007 4075 1 8 . 1 1 44 44 ILE C C 44 176.440 176.440 176.813 -0.373 19007 4076 1 8 . 1 1 44 44 ILE CA C 44 61.500 61.500 63.358 -1.858 19007 4077 1 8 . 1 1 44 44 ILE CB C 44 38.640 38.640 38.755 -0.115 19007 4078 1 8 . 1 1 44 44 ILE H H 44 7.590 7.590 7.394 0.196 19007 4079 1 8 . 1 1 45 45 GLU N N 45 118.850 118.850 117.203 1.647 19007 4080 1 8 . 1 1 45 45 GLU HA H 45 4.272 4.272 4.318 -0.046 19007 4081 1 8 . 1 1 45 45 GLU C C 45 176.698 176.698 177.242 -0.544 19007 4082 1 8 . 1 1 45 45 GLU CA C 45 61.950 61.950 56.872 5.078 19007 4083 1 8 . 1 1 45 45 GLU CB C 45 29.840 29.840 30.937 -1.097 19007 4084 1 8 . 1 1 45 45 GLU H H 45 8.200 8.200 7.785 0.415 19007 4085 1 8 . 1 1 46 46 GLN N N 46 118.260 118.260 119.649 -1.389 19007 4086 1 8 . 1 1 46 46 GLN HA H 46 4.212 4.212 4.566 -0.354 19007 4087 1 8 . 1 1 46 46 GLN C C 46 176.361 176.361 174.321 2.040 19007 4088 1 8 . 1 1 46 46 GLN CA C 46 56.770 56.770 55.806 0.964 19007 4089 1 8 . 1 1 46 46 GLN CB C 46 28.920 28.920 30.048 -1.128 19007 4090 1 8 . 1 1 46 46 GLN H H 46 8.270 8.270 8.204 0.066 19007 4091 1 8 . 1 1 47 47 TYR N N 47 117.690 117.690 119.184 -1.494 19007 4092 1 8 . 1 1 47 47 TYR HA H 47 4.701 4.701 4.897 -0.196 19007 4093 1 8 . 1 1 47 47 TYR C C 47 175.588 175.588 174.393 1.195 19007 4094 1 8 . 1 1 47 47 TYR CA C 47 58.290 58.290 56.504 1.786 19007 4095 1 8 . 1 1 47 47 TYR CB C 47 39.250 39.250 39.056 0.194 19007 4096 1 8 . 1 1 47 47 TYR H H 47 7.980 7.980 8.132 -0.152 19007 4097 1 8 . 1 1 48 48 THR N N 48 108.930 108.930 117.890 -8.960 19007 4098 1 8 . 1 1 48 48 THR HA H 48 4.464 4.464 4.126 0.338 19007 4099 1 8 . 1 1 48 48 THR C C 48 176.381 176.381 174.020 2.361 19007 4100 1 8 . 1 1 48 48 THR CA C 48 61.150 61.150 61.913 -0.763 19007 4101 1 8 . 1 1 48 48 THR CB C 48 70.190 70.190 68.707 1.483 19007 4102 1 8 . 1 1 48 48 THR H H 48 7.570 7.570 7.336 0.234 19007 4103 1 8 . 1 1 49 49 ASP N N 49 121.350 121.350 125.608 -4.258 19007 4104 1 8 . 1 1 49 49 ASP HA H 49 4.752 4.752 4.580 0.172 19007 4105 1 8 . 1 1 49 49 ASP C C 49 177.015 177.015 177.181 -0.166 19007 4106 1 8 . 1 1 49 49 ASP CA C 49 53.710 53.710 55.950 -2.240 19007 4107 1 8 . 1 1 49 49 ASP CB C 49 41.200 41.200 41.919 -0.719 19007 4108 1 8 . 1 1 49 49 ASP H H 49 8.100 8.100 8.358 -0.258 19007 4109 1 8 . 1 1 50 50 GLY N N 50 112.360 112.360 107.295 5.065 19007 4110 1 8 . 1 1 50 50 GLY C C 50 175.449 175.449 175.437 0.012 19007 4111 1 8 . 1 1 50 50 GLY CA C 50 46.000 46.000 45.927 0.073 19007 4112 1 8 . 1 1 50 50 GLY H H 50 9.080 9.080 7.829 1.251 19007 4113 1 8 . 1 1 51 51 LYS N N 51 119.510 119.510 122.209 -2.699 19007 4114 1 8 . 1 1 51 51 LYS HA H 51 4.200 4.200 4.505 -0.305 19007 4115 1 8 . 1 1 51 51 LYS C C 51 177.214 177.214 176.775 0.439 19007 4116 1 8 . 1 1 51 51 LYS CA C 51 56.540 56.540 56.679 -0.139 19007 4117 1 8 . 1 1 51 51 LYS CB C 51 31.420 31.420 34.330 -2.910 19007 4118 1 8 . 1 1 51 51 LYS H H 51 8.590 8.590 8.671 -0.081 19007 4119 1 8 . 1 1 52 52 GLY N N 52 108.180 108.180 109.010 -0.830 19007 4120 1 8 . 1 1 52 52 GLY C C 52 174.279 174.279 172.571 1.708 19007 4121 1 8 . 1 1 52 52 GLY CA C 52 45.450 45.450 45.372 0.078 19007 4122 1 8 . 1 1 52 52 GLY H H 52 8.670 8.670 8.591 0.079 19007 4123 1 8 . 1 1 53 53 GLN N N 53 120.010 120.010 121.650 -1.640 19007 4124 1 8 . 1 1 53 53 GLN HA H 53 4.440 4.440 4.260 0.180 19007 4125 1 8 . 1 1 53 53 GLN C C 53 175.001 175.001 175.370 -0.369 19007 4126 1 8 . 1 1 53 53 GLN CA C 53 54.580 54.580 54.863 -0.283 19007 4127 1 8 . 1 1 53 53 GLN CB C 53 30.330 30.330 27.921 2.409 19007 4128 1 8 . 1 1 53 53 GLN H H 53 7.860 7.860 8.536 -0.676 19007 4129 1 8 . 1 1 54 54 LYS N N 54 120.420 120.420 127.951 -7.531 19007 4130 1 8 . 1 1 54 54 LYS HA H 54 4.704 4.704 4.432 0.272 19007 4131 1 8 . 1 1 54 54 LYS C C 54 176.753 176.753 175.751 1.002 19007 4132 1 8 . 1 1 54 54 LYS CA C 54 55.830 55.830 56.106 -0.276 19007 4133 1 8 . 1 1 54 54 LYS CB C 54 33.850 33.850 32.150 1.700 19007 4134 1 8 . 1 1 54 54 LYS H H 54 8.250 8.250 8.193 0.057 19007 4135 1 8 . 1 1 55 55 ILE N N 55 125.360 125.360 129.986 -4.626 19007 4136 1 8 . 1 1 55 55 ILE HA H 55 4.169 4.169 4.609 -0.440 19007 4137 1 8 . 1 1 55 55 ILE C C 55 174.405 174.405 174.601 -0.196 19007 4138 1 8 . 1 1 55 55 ILE CA C 55 60.350 60.350 60.889 -0.539 19007 4139 1 8 . 1 1 55 55 ILE CB C 55 39.690 39.690 37.421 2.269 19007 4140 1 8 . 1 1 55 55 ILE H H 55 9.050 9.050 9.088 -0.038 19007 4141 1 8 . 1 1 56 56 SER N N 56 121.850 121.850 123.575 -1.725 19007 4142 1 8 . 1 1 56 56 SER HA H 56 4.480 4.480 5.135 -0.655 19007 4143 1 8 . 1 1 56 56 SER C C 56 174.105 174.105 173.870 0.235 19007 4144 1 8 . 1 1 56 56 SER CA C 56 57.410 57.410 56.016 1.394 19007 4145 1 8 . 1 1 56 56 SER CB C 56 64.080 64.080 63.428 0.652 19007 4146 1 8 . 1 1 56 56 SER H H 56 8.330 8.330 8.784 -0.454 19007 4147 1 8 . 1 1 57 57 VAL N N 57 123.190 123.190 127.134 -3.944 19007 4148 1 8 . 1 1 57 57 VAL HA H 57 4.861 4.861 3.986 0.875 19007 4149 1 8 . 1 1 57 57 VAL C C 57 174.869 174.869 174.548 0.321 19007 4150 1 8 . 1 1 57 57 VAL CA C 57 61.130 61.130 62.500 -1.370 19007 4151 1 8 . 1 1 57 57 VAL CB C 57 33.600 33.600 30.848 2.752 19007 4152 1 8 . 1 1 57 57 VAL H H 57 8.680 8.680 8.178 0.502 19007 4153 1 8 . 1 1 58 58 HIS N N 58 129.590 129.590 127.867 1.723 19007 4154 1 8 . 1 1 58 58 HIS HA H 58 5.076 5.076 5.041 0.035 19007 4155 1 8 . 1 1 58 58 HIS C C 58 174.351 174.351 174.710 -0.359 19007 4156 1 8 . 1 1 58 58 HIS CA C 58 54.420 54.420 53.964 0.456 19007 4157 1 8 . 1 1 58 58 HIS CB C 58 31.720 31.720 29.903 1.817 19007 4158 1 8 . 1 1 58 58 HIS H H 58 9.050 9.050 8.043 1.007 19007 4159 1 8 . 1 1 59 59 VAL N N 59 125.260 125.260 124.937 0.323 19007 4160 1 8 . 1 1 59 59 VAL HA H 59 4.408 4.408 4.066 0.342 19007 4161 1 8 . 1 1 59 59 VAL C C 59 174.460 174.460 175.142 -0.682 19007 4162 1 8 . 1 1 59 59 VAL CA C 59 62.370 62.370 61.807 0.563 19007 4163 1 8 . 1 1 59 59 VAL CB C 59 32.760 32.760 32.083 0.677 19007 4164 1 8 . 1 1 59 59 VAL H H 59 8.800 8.800 9.077 -0.277 19007 4165 1 8 . 1 1 60 60 LYS N N 60 128.520 128.520 126.807 1.713 19007 4166 1 8 . 1 1 60 60 LYS HA H 60 4.909 4.909 4.786 0.123 19007 4167 1 8 . 1 1 60 60 LYS C C 60 175.825 175.825 175.805 0.020 19007 4168 1 8 . 1 1 60 60 LYS CA C 60 54.450 54.450 54.591 -0.141 19007 4169 1 8 . 1 1 60 60 LYS CB C 60 32.490 32.490 31.202 1.288 19007 4170 1 8 . 1 1 60 60 LYS H H 60 9.040 9.040 8.321 0.719 19007 4171 1 8 . 1 1 61 61 LEU N N 61 121.430 121.430 120.353 1.077 19007 4172 1 8 . 1 1 61 61 LEU HA H 61 4.527 4.527 4.912 -0.385 19007 4173 1 8 . 1 1 61 61 LEU C C 61 178.910 178.910 178.221 0.689 19007 4174 1 8 . 1 1 61 61 LEU CA C 61 54.410 54.410 55.269 -0.859 19007 4175 1 8 . 1 1 61 61 LEU CB C 61 44.330 44.330 43.324 1.006 19007 4176 1 8 . 1 1 61 61 LEU H H 61 8.700 8.700 9.104 -0.404 19007 4177 1 8 . 1 1 62 62 GLY N N 62 110.520 110.520 106.088 4.432 19007 4178 1 8 . 1 1 62 62 GLY C C 62 175.350 175.350 174.759 0.591 19007 4179 1 8 . 1 1 62 62 GLY CA C 62 46.710 46.710 46.177 0.533 19007 4180 1 8 . 1 1 62 62 GLY H H 62 9.060 9.060 8.736 0.324 19007 4181 1 8 . 1 1 63 63 ASN N N 63 127.090 127.090 124.018 3.072 19007 4182 1 8 . 1 1 63 63 ASN HA H 63 4.778 4.778 4.791 -0.013 19007 4183 1 8 . 1 1 63 63 ASN C C 63 174.214 174.214 175.164 -0.950 19007 4184 1 8 . 1 1 63 63 ASN CA C 63 52.910 52.910 51.913 0.998 19007 4185 1 8 . 1 1 63 63 ASN CB C 63 38.100 38.100 36.408 1.692 19007 4186 1 8 . 1 1 63 63 ASN H H 63 10.390 10.390 8.305 2.085 19007 4187 1 8 . 1 1 64 64 ARG N N 64 121.850 121.850 120.560 1.290 19007 4188 1 8 . 1 1 64 64 ARG HA H 64 4.265 4.265 4.289 -0.024 19007 4189 1 8 . 1 1 64 64 ARG C C 64 174.214 174.214 176.506 -2.292 19007 4190 1 8 . 1 1 64 64 ARG CA C 64 56.330 56.330 56.680 -0.350 19007 4191 1 8 . 1 1 64 64 ARG CB C 64 33.860 33.860 30.295 3.565 19007 4192 1 8 . 1 1 64 64 ARG H H 64 7.520 7.520 7.525 -0.005 19007 4193 1 8 . 1 1 65 65 PHE N N 65 127.760 127.760 119.279 8.481 19007 4194 1 8 . 1 1 65 65 PHE HA H 65 4.503 4.503 4.044 0.459 19007 4195 1 8 . 1 1 65 65 PHE C C 65 176.508 176.508 173.701 2.807 19007 4196 1 8 . 1 1 65 65 PHE CA C 65 56.760 56.760 58.440 -1.680 19007 4197 1 8 . 1 1 65 65 PHE CB C 65 40.430 40.430 37.686 2.744 19007 4198 1 8 . 1 1 65 65 PHE H H 65 8.580 8.580 8.120 0.460 19007 4199 1 8 . 1 1 66 66 LEU N N 66 125.260 125.260 121.398 3.862 19007 4200 1 8 . 1 1 66 66 LEU HA H 66 4.288 4.288 4.288 -0.000 19007 4201 1 8 . 1 1 66 66 LEU C C 66 176.508 176.508 175.182 1.326 19007 4202 1 8 . 1 1 66 66 LEU CA C 66 53.080 53.080 53.538 -0.458 19007 4203 1 8 . 1 1 66 66 LEU CB C 66 43.170 43.170 44.581 -1.411 19007 4204 1 8 . 1 1 66 66 LEU H H 66 8.040 8.040 7.573 0.467 19007 4205 1 8 . 1 1 67 67 TYR N N 67 120.480 120.480 123.263 -2.783 19007 4206 1 8 . 1 1 67 67 TYR HA H 67 4.515 4.515 4.368 0.147 19007 4207 1 8 . 1 1 67 67 TYR C C 67 177.791 177.791 176.958 0.833 19007 4208 1 8 . 1 1 67 67 TYR CA C 67 58.120 58.120 57.931 0.189 19007 4209 1 8 . 1 1 67 67 TYR CB C 67 39.320 39.320 38.218 1.102 19007 4210 1 8 . 1 1 67 67 TYR H H 67 7.880 7.880 8.316 -0.436 19007 4211 1 8 . 1 1 68 68 LYS N N 68 125.020 125.020 125.410 -0.390 19007 4212 1 8 . 1 1 68 68 LYS HA H 68 4.034 4.034 4.264 -0.230 19007 4213 1 8 . 1 1 68 68 LYS C C 68 178.364 178.364 177.831 0.533 19007 4214 1 8 . 1 1 68 68 LYS CA C 68 60.130 60.130 59.175 0.955 19007 4215 1 8 . 1 1 68 68 LYS CB C 68 32.150 32.150 32.206 -0.056 19007 4216 1 8 . 1 1 68 68 LYS H H 68 9.120 9.120 8.795 0.325 19007 4217 1 8 . 1 1 69 69 GLU N N 69 116.430 116.430 118.705 -2.275 19007 4218 1 8 . 1 1 69 69 GLU HA H 69 4.133 4.133 4.066 0.067 19007 4219 1 8 . 1 1 69 69 GLU C C 69 179.538 179.538 179.122 0.416 19007 4220 1 8 . 1 1 69 69 GLU CA C 69 60.030 60.030 60.116 -0.086 19007 4221 1 8 . 1 1 69 69 GLU CB C 69 28.560 28.560 28.833 -0.273 19007 4222 1 8 . 1 1 69 69 GLU H H 69 9.460 9.460 8.911 0.549 19007 4223 1 8 . 1 1 70 70 GLN N N 70 117.670 117.670 116.776 0.894 19007 4224 1 8 . 1 1 70 70 GLN HA H 70 4.120 4.120 4.146 -0.026 19007 4225 1 8 . 1 1 70 70 GLN C C 70 177.955 177.955 178.412 -0.457 19007 4226 1 8 . 1 1 70 70 GLN CA C 70 57.950 57.950 58.257 -0.307 19007 4227 1 8 . 1 1 70 70 GLN CB C 70 29.290 29.290 28.477 0.813 19007 4228 1 8 . 1 1 70 70 GLN H H 70 7.000 7.000 7.944 -0.944 19007 4229 1 8 . 1 1 71 71 GLU N N 71 120.850 120.850 119.870 0.980 19007 4230 1 8 . 1 1 71 71 GLU HA H 71 3.668 3.668 4.186 -0.518 19007 4231 1 8 . 1 1 71 71 GLU C C 71 179.429 179.429 178.779 0.650 19007 4232 1 8 . 1 1 71 71 GLU CA C 71 60.620 60.620 59.150 1.470 19007 4233 1 8 . 1 1 71 71 GLU CB C 71 29.660 29.660 29.514 0.146 19007 4234 1 8 . 1 1 71 71 GLU H H 71 8.080 8.080 7.536 0.544 19007 4235 1 8 . 1 1 72 72 GLU N N 72 119.670 119.670 121.069 -1.399 19007 4236 1 8 . 1 1 72 72 GLU HA H 72 4.038 4.038 3.942 0.096 19007 4237 1 8 . 1 1 72 72 GLU C C 72 178.446 178.446 178.723 -0.277 19007 4238 1 8 . 1 1 72 72 GLU CA C 72 59.690 59.690 59.562 0.128 19007 4239 1 8 . 1 1 72 72 GLU CB C 72 29.350 29.350 29.671 -0.321 19007 4240 1 8 . 1 1 72 72 GLU H H 72 8.390 8.390 8.634 -0.244 19007 4241 1 8 . 1 1 73 73 GLN N N 73 119.030 119.030 117.209 1.821 19007 4242 1 8 . 1 1 73 73 GLN HA H 73 4.110 4.110 4.063 0.047 19007 4243 1 8 . 1 1 73 73 GLN C C 73 179.320 179.320 177.648 1.672 19007 4244 1 8 . 1 1 73 73 GLN CA C 73 59.470 59.470 58.567 0.903 19007 4245 1 8 . 1 1 73 73 GLN CB C 73 29.480 29.480 28.498 0.982 19007 4246 1 8 . 1 1 73 73 GLN H H 73 7.730 7.730 8.151 -0.421 19007 4247 1 8 . 1 1 74 74 LEU N N 74 119.760 119.760 114.237 5.523 19007 4248 1 8 . 1 1 74 74 LEU HA H 74 3.918 3.918 4.593 -0.675 19007 4249 1 8 . 1 1 74 74 LEU C C 74 177.818 177.818 178.760 -0.942 19007 4250 1 8 . 1 1 74 74 LEU CA C 74 58.720 58.720 56.703 2.017 19007 4251 1 8 . 1 1 74 74 LEU CB C 74 42.890 42.890 42.108 0.782 19007 4252 1 8 . 1 1 74 74 LEU H H 74 8.290 8.290 7.387 0.903 19007 4253 1 8 . 1 1 75 75 THR N N 75 113.520 113.520 117.450 -3.930 19007 4254 1 8 . 1 1 75 75 THR HA H 75 3.680 3.680 3.997 -0.317 19007 4255 1 8 . 1 1 75 75 THR C C 75 176.480 176.480 176.247 0.233 19007 4256 1 8 . 1 1 75 75 THR CA C 75 66.990 66.990 67.002 -0.012 19007 4257 1 8 . 1 1 75 75 THR CB C 75 68.640 68.640 68.136 0.504 19007 4258 1 8 . 1 1 75 75 THR H H 75 8.450 8.450 8.174 0.276 19007 4259 1 8 . 1 1 76 76 GLU N N 76 121.340 121.340 121.482 -0.142 19007 4260 1 8 . 1 1 76 76 GLU HA H 76 4.014 4.014 4.042 -0.028 19007 4261 1 8 . 1 1 76 76 GLU C C 76 178.965 178.965 178.590 0.375 19007 4262 1 8 . 1 1 76 76 GLU CA C 76 59.190 59.190 59.459 -0.269 19007 4263 1 8 . 1 1 76 76 GLU CB C 76 29.590 29.590 29.247 0.343 19007 4264 1 8 . 1 1 76 76 GLU H H 76 8.330 8.330 7.919 0.411 19007 4265 1 8 . 1 1 77 77 LEU N N 77 120.170 120.170 118.599 1.571 19007 4266 1 8 . 1 1 77 77 LEU HA H 77 3.955 3.955 4.085 -0.130 19007 4267 1 8 . 1 1 77 77 LEU C C 77 180.057 180.057 178.551 1.506 19007 4268 1 8 . 1 1 77 77 LEU CA C 77 58.510 58.510 57.977 0.533 19007 4269 1 8 . 1 1 77 77 LEU CB C 77 42.716 42.716 42.059 0.658 19007 4270 1 8 . 1 1 77 77 LEU H H 77 7.560 7.560 7.498 0.062 19007 4271 1 8 . 1 1 78 78 ILE N N 78 119.930 119.930 118.433 1.497 19007 4272 1 8 . 1 1 78 78 ILE HA H 78 3.429 3.429 3.827 -0.398 19007 4273 1 8 . 1 1 78 78 ILE C C 78 176.043 176.043 177.970 -1.927 19007 4274 1 8 . 1 1 78 78 ILE CA C 78 65.740 65.740 63.846 1.894 19007 4275 1 8 . 1 1 78 78 ILE CB C 78 37.960 37.960 37.622 0.338 19007 4276 1 8 . 1 1 78 78 ILE H H 78 7.740 7.740 7.752 -0.012 19007 4277 1 8 . 1 1 79 79 ALA N N 79 116.940 116.940 123.149 -6.209 19007 4278 1 8 . 1 1 79 79 ALA HA H 79 4.229 4.229 4.015 0.214 19007 4279 1 8 . 1 1 79 79 ALA C C 79 178.719 178.719 179.521 -0.802 19007 4280 1 8 . 1 1 79 79 ALA CA C 79 53.390 53.390 55.199 -1.809 19007 4281 1 8 . 1 1 79 79 ALA CB C 79 18.500 18.500 17.821 0.679 19007 4282 1 8 . 1 1 79 79 ALA H H 79 8.210 8.210 8.493 -0.283 19007 4283 1 8 . 1 1 80 80 SER N N 80 113.260 113.260 112.824 0.436 19007 4284 1 8 . 1 1 80 80 SER HA H 80 4.253 4.253 4.291 -0.038 19007 4285 1 8 . 1 1 80 80 SER C C 80 174.869 174.869 175.389 -0.520 19007 4286 1 8 . 1 1 80 80 SER CA C 80 60.550 60.550 60.187 0.363 19007 4287 1 8 . 1 1 80 80 SER CB C 80 63.130 63.130 63.544 -0.414 19007 4288 1 8 . 1 1 80 80 SER H H 80 7.600 7.600 7.975 -0.375 19007 4289 1 8 . 1 1 81 81 LYS N N 81 123.510 123.510 118.719 4.791 19007 4290 1 8 . 1 1 81 81 LYS HA H 81 4.527 4.527 4.688 -0.161 19007 4291 1 8 . 1 1 81 81 LYS C C 81 176.289 176.289 175.271 1.018 19007 4292 1 8 . 1 1 81 81 LYS CA C 81 54.000 54.000 55.341 -1.341 19007 4293 1 8 . 1 1 81 81 LYS CB C 81 30.440 30.440 32.965 -2.525 19007 4294 1 8 . 1 1 81 81 LYS H H 81 7.690 7.690 7.990 -0.300 19007 4295 1 8 . 1 1 82 82 LYS N N 82 120.760 120.760 120.716 0.044 19007 4296 1 8 . 1 1 82 82 LYS HA H 82 4.539 4.539 4.252 0.287 19007 4297 1 8 . 1 1 82 82 LYS C C 82 176.835 176.835 176.224 0.611 19007 4298 1 8 . 1 1 82 82 LYS CA C 82 59.090 59.090 56.668 2.422 19007 4299 1 8 . 1 1 82 82 LYS CB C 82 32.330 32.330 30.916 1.414 19007 4300 1 8 . 1 1 82 82 LYS H H 82 8.190 8.190 7.809 0.381 19007 4301 1 8 . 1 1 83 83 ASP N N 83 117.280 117.280 119.996 -2.716 19007 4302 1 8 . 1 1 83 83 ASP HA H 83 4.659 4.659 4.619 0.040 19007 4303 1 8 . 1 1 83 83 ASP C C 83 174.460 174.460 175.727 -1.267 19007 4304 1 8 . 1 1 83 83 ASP CA C 83 55.390 55.390 54.352 1.038 19007 4305 1 8 . 1 1 83 83 ASP CB C 83 40.680 40.680 41.260 -0.580 19007 4306 1 8 . 1 1 83 83 ASP H H 83 8.670 8.670 8.004 0.666 19007 4307 1 8 . 1 1 84 84 LEU N N 84 117.780 117.780 119.417 -1.637 19007 4308 1 8 . 1 1 84 84 LEU HA H 84 5.100 5.100 4.260 0.841 19007 4309 1 8 . 1 1 84 84 LEU C C 84 176.753 176.753 176.839 -0.086 19007 4310 1 8 . 1 1 84 84 LEU CA C 84 54.560 54.560 53.542 1.018 19007 4311 1 8 . 1 1 84 84 LEU CB C 84 43.690 43.690 42.685 1.005 19007 4312 1 8 . 1 1 84 84 LEU H H 84 7.640 7.640 7.404 0.236 19007 4313 1 8 . 1 1 85 85 PHE N N 85 117.610 117.610 120.655 -3.045 19007 4314 1 8 . 1 1 85 85 PHE HA H 85 4.754 4.754 4.545 0.209 19007 4315 1 8 . 1 1 85 85 PHE C C 85 173.204 173.204 174.721 -1.517 19007 4316 1 8 . 1 1 85 85 PHE CA C 85 56.400 56.400 57.890 -1.490 19007 4317 1 8 . 1 1 85 85 PHE CB C 85 42.000 42.000 37.441 4.559 19007 4318 1 8 . 1 1 85 85 PHE H H 85 8.280 8.280 8.622 -0.342 19007 4319 1 8 . 1 1 86 86 VAL N N 86 123.600 123.600 121.718 1.882 19007 4320 1 8 . 1 1 86 86 VAL HA H 86 3.882 3.882 5.205 -1.323 19007 4321 1 8 . 1 1 86 86 VAL C C 86 174.651 174.651 175.136 -0.485 19007 4322 1 8 . 1 1 86 86 VAL CA C 86 63.640 63.640 60.504 3.136 19007 4323 1 8 . 1 1 86 86 VAL CB C 86 31.440 31.440 33.713 -2.273 19007 4324 1 8 . 1 1 86 86 VAL H H 86 8.880 8.880 7.878 1.002 19007 4325 1 8 . 1 1 87 87 HIS N N 87 130.690 130.690 127.754 2.936 19007 4326 1 8 . 1 1 87 87 HIS HA H 87 4.420 4.420 4.928 -0.508 19007 4327 1 8 . 1 1 87 87 HIS C C 87 175.497 175.497 173.699 1.798 19007 4328 1 8 . 1 1 87 87 HIS CA C 87 58.090 58.090 55.803 2.287 19007 4329 1 8 . 1 1 87 87 HIS CB C 87 32.870 32.870 33.072 -0.202 19007 4330 1 8 . 1 1 87 87 HIS H H 87 9.320 9.320 9.242 0.078 19007 4331 1 8 . 1 1 88 88 SER N N 88 109.280 109.280 121.263 -11.983 19007 4332 1 8 . 1 1 88 88 SER HA H 88 4.503 4.503 5.532 -1.029 19007 4333 1 8 . 1 1 88 88 SER C C 88 172.248 172.248 173.357 -1.109 19007 4334 1 8 . 1 1 88 88 SER CA C 88 57.560 57.560 57.654 -0.094 19007 4335 1 8 . 1 1 88 88 SER CB C 88 64.890 64.890 65.015 -0.125 19007 4336 1 8 . 1 1 88 88 SER H H 88 7.370 7.370 8.705 -1.335 19007 4337 1 8 . 1 1 89 89 ILE N N 89 122.260 122.260 123.436 -1.176 19007 4338 1 8 . 1 1 89 89 ILE HA H 89 4.265 4.265 4.564 -0.299 19007 4339 1 8 . 1 1 89 89 ILE C C 89 174.569 174.569 173.093 1.476 19007 4340 1 8 . 1 1 89 89 ILE CA C 89 61.110 61.110 60.448 0.662 19007 4341 1 8 . 1 1 89 89 ILE CB C 89 39.960 39.960 42.386 -2.426 19007 4342 1 8 . 1 1 89 89 ILE H H 89 8.400 8.400 8.908 -0.508 19007 4343 1 8 . 1 1 90 90 ASP N N 90 126.690 126.690 125.826 0.864 19007 4344 1 8 . 1 1 90 90 ASP HA H 90 5.064 5.064 5.534 -0.470 19007 4345 1 8 . 1 1 90 90 ASP C C 90 174.469 174.469 176.752 -2.283 19007 4346 1 8 . 1 1 90 90 ASP CA C 90 53.600 53.600 51.730 1.870 19007 4347 1 8 . 1 1 90 90 ASP CB C 90 44.230 44.230 43.271 0.959 19007 4348 1 8 . 1 1 90 90 ASP H H 90 8.800 8.800 8.398 0.402 19007 4349 1 8 . 1 1 91 91 SER N N 91 116.760 116.760 117.283 -0.523 19007 4350 1 8 . 1 1 91 91 SER HA H 91 4.781 4.781 4.460 0.321 19007 4351 1 8 . 1 1 91 91 SER C C 91 173.164 173.164 173.668 -0.504 19007 4352 1 8 . 1 1 91 91 SER CA C 91 57.430 57.430 57.958 -0.528 19007 4353 1 8 . 1 1 91 91 SER CB C 91 65.250 65.250 62.048 3.202 19007 4354 1 8 . 1 1 91 91 SER H H 91 8.500 8.500 8.425 0.075 19007 4355 1 8 . 1 1 92 92 GLU N N 92 123.420 123.420 120.804 2.616 19007 4356 1 8 . 1 1 92 92 GLU HA H 92 4.355 4.355 4.262 0.093 19007 4357 1 8 . 1 1 92 92 GLU C C 92 176.419 176.419 176.761 -0.342 19007 4358 1 8 . 1 1 92 92 GLU CA C 92 56.250 56.250 56.329 -0.079 19007 4359 1 8 . 1 1 92 92 GLU CB C 92 30.730 30.730 30.266 0.464 19007 4360 1 8 . 1 1 92 92 GLU H H 92 8.620 8.620 7.727 0.893 19007 4361 1 8 . 1 1 93 93 VAL N N 93 122.090 122.090 126.077 -3.987 19007 4362 1 8 . 1 1 93 93 VAL HA H 93 4.105 4.105 4.142 -0.037 19007 4363 1 8 . 1 1 93 93 VAL CA C 93 62.240 62.240 61.386 0.854 19007 4364 1 8 . 1 1 93 93 VAL CB C 93 32.860 32.860 31.009 1.851 19007 4365 1 8 . 1 1 93 93 VAL H H 93 8.220 8.220 8.534 -0.314 19007 4366 1 8 . 1 1 96 96 LYS HA H 96 4.079 4.079 4.557 -0.478 19007 4367 1 8 . 1 1 96 96 LYS C C 96 176.053 176.053 175.605 0.448 19007 4368 1 8 . 1 1 96 96 LYS CA C 96 62.497 62.497 54.816 7.681 19007 4369 1 8 . 1 1 96 96 LYS CB C 96 32.776 32.776 30.614 2.162 19007 4370 1 8 . 1 1 97 97 LYS N N 97 126.170 126.170 122.572 3.598 19007 4371 1 8 . 1 1 97 97 LYS HA H 97 4.300 4.300 4.479 -0.179 19007 4372 1 8 . 1 1 97 97 LYS C C 97 176.665 176.665 176.660 0.005 19007 4373 1 8 . 1 1 97 97 LYS CA C 97 56.730 56.730 55.944 0.785 19007 4374 1 8 . 1 1 97 97 LYS CB C 97 33.020 33.020 33.722 -0.702 19007 4375 1 8 . 1 1 97 97 LYS H H 97 8.500 8.500 7.994 0.506 19007 4376 1 8 . 1 1 98 98 GLU N N 98 122.020 122.020 126.957 -4.937 19007 4377 1 8 . 1 1 98 98 GLU HA H 98 4.226 4.226 4.372 -0.146 19007 4378 1 8 . 1 1 98 98 GLU C C 98 176.382 176.382 175.764 0.618 19007 4379 1 8 . 1 1 98 98 GLU CA C 98 56.890 56.890 55.537 1.353 19007 4380 1 8 . 1 1 98 98 GLU CB C 98 30.410 30.410 28.460 1.950 19007 4381 1 8 . 1 1 98 98 GLU H H 98 8.470 8.470 8.968 -0.498 19007 4382 1 8 . 1 1 99 99 ALA N N 99 124.770 124.770 127.237 -2.467 19007 4383 1 8 . 1 1 99 99 ALA HA H 99 4.281 4.281 4.329 -0.048 19007 4384 1 8 . 1 1 99 99 ALA C C 99 177.723 177.723 176.898 0.825 19007 4385 1 8 . 1 1 99 99 ALA CA C 99 52.880 52.880 51.979 0.901 19007 4386 1 8 . 1 1 99 99 ALA CB C 99 19.320 19.320 18.545 0.775 19007 4387 1 8 . 1 1 99 99 ALA H H 99 8.310 8.310 8.130 0.180 19007 4388 1 8 . 1 1 100 100 GLN N N 100 119.190 119.190 124.136 -4.946 19007 4389 1 8 . 1 1 100 100 GLN HA H 100 4.266 4.266 4.317 -0.051 19007 4390 1 8 . 1 1 100 100 GLN CA C 100 56.000 56.000 54.804 1.196 19007 4391 1 8 . 1 1 100 100 GLN CB C 100 29.970 29.970 29.287 0.683 19007 4392 1 8 . 1 1 100 100 GLN H H 100 8.280 8.280 8.094 0.186 19007 4393 1 8 . 1 1 101 101 GLN N N 101 120.421 120.421 126.349 -5.928 19007 4394 1 8 . 1 1 101 101 GLN HA H 101 4.650 4.650 4.342 0.308 19007 4395 1 8 . 1 1 101 101 GLN C C 101 175.725 175.725 175.094 0.631 19007 4396 1 8 . 1 1 101 101 GLN CA C 101 56.073 56.073 56.078 -0.005 19007 4397 1 8 . 1 1 101 101 GLN CB C 101 29.524 29.524 28.433 1.091 19007 4398 1 8 . 1 1 101 101 GLN H H 101 8.114 8.114 8.641 -0.527 19007 4399 1 8 . 1 1 102 102 ILE N N 102 122.940 122.940 126.024 -3.084 19007 4400 1 8 . 1 1 102 102 ILE HA H 102 4.119 4.119 4.384 -0.265 19007 4401 1 8 . 1 1 102 102 ILE C C 102 175.916 175.916 174.258 1.658 19007 4402 1 8 . 1 1 102 102 ILE CA C 102 61.260 61.260 60.752 0.508 19007 4403 1 8 . 1 1 102 102 ILE CB C 102 38.790 38.790 40.281 -1.491 19007 4404 1 8 . 1 1 102 102 ILE H H 102 8.240 8.240 8.195 0.045 19007 4405 1 8 . 1 1 103 103 ARG N N 103 125.780 125.780 126.454 -0.674 19007 4406 1 8 . 1 1 103 103 ARG HA H 103 4.369 4.369 4.767 -0.398 19007 4407 1 8 . 1 1 103 103 ARG C C 103 175.752 175.752 175.444 0.308 19007 4408 1 8 . 1 1 103 103 ARG CA C 103 55.940 55.940 55.459 0.481 19007 4409 1 8 . 1 1 103 103 ARG CB C 103 31.340 31.340 31.930 -0.590 19007 4410 1 8 . 1 1 103 103 ARG H H 103 8.400 8.400 8.332 0.068 19007 4411 1 8 . 1 1 104 104 GLU N N 104 123.840 123.840 121.290 2.550 19007 4412 1 8 . 1 1 104 104 GLU HA H 104 4.296 4.296 4.431 -0.135 19007 4413 1 8 . 1 1 104 104 GLU C C 104 175.314 175.314 175.696 -0.382 19007 4414 1 8 . 1 1 104 104 GLU CA C 104 56.430 56.430 56.438 -0.008 19007 4415 1 8 . 1 1 104 104 GLU CB C 104 30.560 30.560 29.907 0.653 19007 4416 1 8 . 1 1 104 104 GLU H H 104 8.510 8.510 8.721 -0.211 19007 4417 1 9 . 1 1 6 6 THR HA H 6 4.321 4.321 4.594 -0.273 19007 4418 1 9 . 1 1 6 6 THR C C 6 174.339 174.339 173.943 0.396 19007 4419 1 9 . 1 1 6 6 THR CA C 6 62.139 62.139 60.614 1.526 19007 4420 1 9 . 1 1 6 6 THR CB C 6 69.788 69.788 69.766 0.022 19007 4421 1 9 . 1 1 7 7 LYS N N 7 124.350 124.350 119.989 4.361 19007 4422 1 9 . 1 1 7 7 LYS HA H 7 4.265 4.265 4.470 -0.205 19007 4423 1 9 . 1 1 7 7 LYS C C 7 176.341 176.341 176.015 0.326 19007 4424 1 9 . 1 1 7 7 LYS CA C 7 56.980 56.980 55.860 1.120 19007 4425 1 9 . 1 1 7 7 LYS CB C 7 33.110 33.110 33.095 0.015 19007 4426 1 9 . 1 1 7 7 LYS H H 7 8.320 8.320 8.244 0.076 19007 4427 1 9 . 1 1 8 8 LYS N N 8 123.170 123.170 120.513 2.657 19007 4428 1 9 . 1 1 8 8 LYS HA H 8 4.253 4.253 4.514 -0.261 19007 4429 1 9 . 1 1 8 8 LYS C C 8 176.083 176.083 175.795 0.288 19007 4430 1 9 . 1 1 8 8 LYS CA C 8 56.450 56.450 55.125 1.325 19007 4431 1 9 . 1 1 8 8 LYS CB C 8 33.480 33.480 34.829 -1.349 19007 4432 1 9 . 1 1 8 8 LYS H H 8 8.340 8.340 8.355 -0.015 19007 4433 1 9 . 1 1 9 9 GLN N N 9 123.010 123.010 119.374 3.636 19007 4434 1 9 . 1 1 9 9 GLN HA H 9 4.289 4.289 4.407 -0.118 19007 4435 1 9 . 1 1 9 9 GLN C C 9 174.914 174.914 175.296 -0.382 19007 4436 1 9 . 1 1 9 9 GLN CA C 9 56.520 56.520 57.416 -0.896 19007 4437 1 9 . 1 1 9 9 GLN CB C 9 30.790 30.790 29.228 1.562 19007 4438 1 9 . 1 1 9 9 GLN H H 9 8.440 8.440 8.593 -0.153 19007 4439 1 9 . 1 1 10 10 GLN N N 10 121.180 121.180 118.866 2.314 19007 4440 1 9 . 1 1 10 10 GLN HA H 10 4.769 4.769 4.274 0.495 19007 4441 1 9 . 1 1 10 10 GLN C C 10 175.865 175.865 174.857 1.008 19007 4442 1 9 . 1 1 10 10 GLN CA C 10 55.580 55.580 55.254 0.326 19007 4443 1 9 . 1 1 10 10 GLN CB C 10 29.630 29.630 29.467 0.163 19007 4444 1 9 . 1 1 10 10 GLN H H 10 8.170 8.170 8.006 0.164 19007 4445 1 9 . 1 1 11 11 TYR N N 11 120.110 120.110 116.791 3.319 19007 4446 1 9 . 1 1 11 11 TYR HA H 11 4.769 4.769 4.585 0.184 19007 4447 1 9 . 1 1 11 11 TYR C C 11 174.319 174.319 172.537 1.782 19007 4448 1 9 . 1 1 11 11 TYR CA C 11 58.490 58.490 56.647 1.843 19007 4449 1 9 . 1 1 11 11 TYR CB C 11 39.350 39.350 38.835 0.515 19007 4450 1 9 . 1 1 11 11 TYR H H 11 8.470 8.470 7.732 0.738 19007 4451 1 9 . 1 1 12 12 VAL N N 12 117.030 117.030 120.856 -3.826 19007 4452 1 9 . 1 1 12 12 VAL HA H 12 4.793 4.793 5.066 -0.273 19007 4453 1 9 . 1 1 12 12 VAL C C 12 174.636 174.636 174.596 0.040 19007 4454 1 9 . 1 1 12 12 VAL CA C 12 60.730 60.730 60.050 0.680 19007 4455 1 9 . 1 1 12 12 VAL CB C 12 34.790 34.790 35.135 -0.345 19007 4456 1 9 . 1 1 12 12 VAL H H 12 7.590 7.590 8.435 -0.845 19007 4457 1 9 . 1 1 13 13 THR N N 13 121.770 121.770 122.747 -0.977 19007 4458 1 9 . 1 1 13 13 THR HA H 13 4.615 4.615 4.723 -0.108 19007 4459 1 9 . 1 1 13 13 THR C C 13 173.030 173.030 172.155 0.875 19007 4460 1 9 . 1 1 13 13 THR CA C 13 61.540 61.540 61.950 -0.410 19007 4461 1 9 . 1 1 13 13 THR CB C 13 71.050 71.050 70.718 0.332 19007 4462 1 9 . 1 1 13 13 THR H H 13 8.620 8.620 8.455 0.165 19007 4463 1 9 . 1 1 14 14 ILE N N 14 126.190 126.190 126.308 -0.118 19007 4464 1 9 . 1 1 14 14 ILE HA H 14 4.781 4.781 4.427 0.354 19007 4465 1 9 . 1 1 14 14 ILE C C 14 175.112 175.112 174.466 0.646 19007 4466 1 9 . 1 1 14 14 ILE CA C 14 61.120 61.120 60.592 0.528 19007 4467 1 9 . 1 1 14 14 ILE CB C 14 40.340 40.340 41.004 -0.664 19007 4468 1 9 . 1 1 14 14 ILE H H 14 8.890 8.890 8.433 0.457 19007 4469 1 9 . 1 1 15 15 LYS N N 15 127.020 127.020 127.713 -0.693 19007 4470 1 9 . 1 1 15 15 LYS HA H 15 4.734 4.734 4.706 0.028 19007 4471 1 9 . 1 1 15 15 LYS C C 15 175.409 175.409 174.762 0.647 19007 4472 1 9 . 1 1 15 15 LYS CA C 15 54.740 54.740 55.258 -0.518 19007 4473 1 9 . 1 1 15 15 LYS CB C 15 35.430 35.430 34.908 0.522 19007 4474 1 9 . 1 1 15 15 LYS H H 15 8.850 8.850 8.896 -0.046 19007 4475 1 9 . 1 1 16 16 GLY N N 16 112.120 112.120 113.903 -1.783 19007 4476 1 9 . 1 1 16 16 GLY C C 16 172.566 172.566 173.761 -1.195 19007 4477 1 9 . 1 1 16 16 GLY CA C 16 45.560 45.560 44.949 0.611 19007 4478 1 9 . 1 1 16 16 GLY H H 16 8.870 8.870 8.810 0.060 19007 4479 1 9 . 1 1 17 17 THR N N 17 114.520 114.520 114.930 -0.410 19007 4480 1 9 . 1 1 17 17 THR HA H 17 4.753 4.753 4.683 0.070 19007 4481 1 9 . 1 1 17 17 THR CA C 17 60.360 60.360 61.963 -1.603 19007 4482 1 9 . 1 1 17 17 THR CB C 17 72.040 72.040 70.244 1.796 19007 4483 1 9 . 1 1 17 17 THR H H 17 8.380 8.380 8.464 -0.084 19007 4484 1 9 . 1 1 19 19 ASN HA H 19 4.778 4.778 5.132 -0.354 19007 4485 1 9 . 1 1 19 19 ASN C C 19 174.616 174.616 175.364 -0.748 19007 4486 1 9 . 1 1 19 19 ASN CA C 19 53.700 53.700 52.192 1.508 19007 4487 1 9 . 1 1 19 19 ASN CB C 19 39.018 39.018 40.204 -1.186 19007 4488 1 9 . 1 1 20 20 GLY N N 20 108.600 108.600 108.650 -0.050 19007 4489 1 9 . 1 1 20 20 GLY C C 20 172.297 172.297 174.054 -1.757 19007 4490 1 9 . 1 1 20 20 GLY CA C 20 46.310 46.310 46.155 0.155 19007 4491 1 9 . 1 1 20 20 GLY H H 20 7.590 7.590 8.607 -1.017 19007 4492 1 9 . 1 1 21 21 LEU N N 21 123.210 123.210 121.973 1.237 19007 4493 1 9 . 1 1 21 21 LEU HA H 21 5.015 5.015 4.841 0.174 19007 4494 1 9 . 1 1 21 21 LEU C C 21 176.202 176.202 174.784 1.418 19007 4495 1 9 . 1 1 21 21 LEU CA C 21 54.090 54.090 55.501 -1.411 19007 4496 1 9 . 1 1 21 21 LEU CB C 21 45.940 45.940 44.557 1.383 19007 4497 1 9 . 1 1 21 21 LEU H H 21 8.760 8.760 8.266 0.494 19007 4498 1 9 . 1 1 22 22 THR N N 22 120.430 120.430 124.215 -3.785 19007 4499 1 9 . 1 1 22 22 THR HA H 22 5.191 5.191 4.709 0.482 19007 4500 1 9 . 1 1 22 22 THR C C 22 172.852 172.852 173.320 -0.468 19007 4501 1 9 . 1 1 22 22 THR CA C 22 61.850 61.850 61.919 -0.069 19007 4502 1 9 . 1 1 22 22 THR CB C 22 69.800 69.800 68.554 1.246 19007 4503 1 9 . 1 1 22 22 THR H H 22 9.150 9.150 9.116 0.034 19007 4504 1 9 . 1 1 23 23 LEU N N 23 127.110 127.110 122.823 4.287 19007 4505 1 9 . 1 1 23 23 LEU HA H 23 4.910 4.910 5.397 -0.487 19007 4506 1 9 . 1 1 23 23 LEU C C 23 174.200 174.200 174.277 -0.077 19007 4507 1 9 . 1 1 23 23 LEU CA C 23 52.770 52.770 53.215 -0.445 19007 4508 1 9 . 1 1 23 23 LEU CB C 23 44.220 44.220 46.099 -1.879 19007 4509 1 9 . 1 1 23 23 LEU H H 23 8.870 8.870 7.999 0.871 19007 4510 1 9 . 1 1 24 24 HIS N N 24 124.600 124.600 120.892 3.708 19007 4511 1 9 . 1 1 24 24 HIS HA H 24 4.875 4.875 5.643 -0.768 19007 4512 1 9 . 1 1 24 24 HIS C C 24 174.033 174.033 172.693 1.340 19007 4513 1 9 . 1 1 24 24 HIS CA C 24 56.000 56.000 54.978 1.022 19007 4514 1 9 . 1 1 24 24 HIS CB C 24 30.400 30.400 34.112 -3.712 19007 4515 1 9 . 1 1 24 24 HIS H H 24 9.160 9.160 9.040 0.120 19007 4516 1 9 . 1 1 25 25 LEU N N 25 125.950 125.950 127.712 -1.762 19007 4517 1 9 . 1 1 25 25 LEU HA H 25 4.382 4.382 4.532 -0.150 19007 4518 1 9 . 1 1 25 25 LEU C C 25 175.806 175.806 173.810 1.996 19007 4519 1 9 . 1 1 25 25 LEU CA C 25 53.250 53.250 53.553 -0.303 19007 4520 1 9 . 1 1 25 25 LEU CB C 25 41.030 41.030 45.747 -4.717 19007 4521 1 9 . 1 1 25 25 LEU H H 25 8.420 8.420 8.020 0.400 19007 4522 1 9 . 1 1 26 26 ASP N N 26 126.170 126.170 127.156 -0.986 19007 4523 1 9 . 1 1 26 26 ASP HA H 26 4.344 4.344 5.162 -0.818 19007 4524 1 9 . 1 1 26 26 ASP C C 26 176.302 176.302 174.299 2.003 19007 4525 1 9 . 1 1 26 26 ASP CA C 26 56.480 56.480 53.189 3.291 19007 4526 1 9 . 1 1 26 26 ASP CB C 26 43.880 43.880 41.416 2.464 19007 4527 1 9 . 1 1 26 26 ASP H H 26 8.630 8.630 7.943 0.687 19007 4528 1 9 . 1 1 27 27 ASP N N 27 122.430 122.430 122.114 0.316 19007 4529 1 9 . 1 1 27 27 ASP HA H 27 4.540 4.540 4.783 -0.243 19007 4530 1 9 . 1 1 27 27 ASP C C 27 176.381 176.381 174.348 2.033 19007 4531 1 9 . 1 1 27 27 ASP CA C 27 54.060 54.060 53.750 0.310 19007 4532 1 9 . 1 1 27 27 ASP CB C 27 40.820 40.820 44.549 -3.729 19007 4533 1 9 . 1 1 27 27 ASP H H 27 8.150 8.150 7.672 0.478 19007 4534 1 9 . 1 1 28 28 ALA N N 28 123.520 123.520 125.402 -1.882 19007 4535 1 9 . 1 1 28 28 ALA HA H 28 4.600 4.600 4.658 -0.058 19007 4536 1 9 . 1 1 28 28 ALA C C 28 178.324 178.324 177.054 1.270 19007 4537 1 9 . 1 1 28 28 ALA CA C 28 52.860 52.860 51.746 1.114 19007 4538 1 9 . 1 1 28 28 ALA CB C 28 20.790 20.790 20.616 0.174 19007 4539 1 9 . 1 1 28 28 ALA H H 28 8.480 8.480 8.382 0.098 19007 4540 1 9 . 1 1 29 29 CYS N N 29 115.580 115.580 117.340 -1.760 19007 4541 1 9 . 1 1 29 29 CYS HA H 29 4.680 4.680 4.163 0.517 19007 4542 1 9 . 1 1 29 29 CYS C C 29 174.696 174.696 174.201 0.495 19007 4543 1 9 . 1 1 29 29 CYS CA C 29 56.060 56.060 59.496 -3.436 19007 4544 1 9 . 1 1 29 29 CYS CB C 29 29.050 29.050 25.699 3.351 19007 4545 1 9 . 1 1 29 29 CYS H H 29 7.510 7.510 8.709 -1.199 19007 4546 1 9 . 1 1 30 30 SER N N 30 119.090 119.090 114.006 5.084 19007 4547 1 9 . 1 1 30 30 SER HA H 30 4.500 4.500 4.779 -0.279 19007 4548 1 9 . 1 1 30 30 SER CA C 30 58.370 58.370 56.807 1.563 19007 4549 1 9 . 1 1 30 30 SER CB C 30 64.170 64.170 65.788 -1.618 19007 4550 1 9 . 1 1 30 30 SER H H 30 9.170 9.170 7.636 1.534 19007 4551 1 9 . 1 1 31 31 PHE HA H 31 4.041 4.041 4.616 -0.575 19007 4552 1 9 . 1 1 31 31 PHE C C 31 176.440 176.440 175.925 0.515 19007 4553 1 9 . 1 1 31 31 PHE CA C 31 62.491 62.491 57.441 5.051 19007 4554 1 9 . 1 1 31 31 PHE CB C 31 39.018 39.018 40.688 -1.670 19007 4555 1 9 . 1 1 32 32 ASP N N 32 116.020 116.020 124.484 -8.464 19007 4556 1 9 . 1 1 32 32 ASP HA H 32 4.139 4.139 4.614 -0.475 19007 4557 1 9 . 1 1 32 32 ASP C C 32 178.978 178.978 176.753 2.225 19007 4558 1 9 . 1 1 32 32 ASP CA C 32 57.670 57.670 53.668 4.002 19007 4559 1 9 . 1 1 32 32 ASP CB C 32 40.290 40.290 39.732 0.558 19007 4560 1 9 . 1 1 32 32 ASP H H 32 8.370 8.370 8.783 -0.413 19007 4561 1 9 . 1 1 33 33 GLU N N 33 120.170 120.170 120.593 -0.423 19007 4562 1 9 . 1 1 33 33 GLU HA H 33 4.149 4.149 4.119 0.030 19007 4563 1 9 . 1 1 33 33 GLU C C 33 179.256 179.256 177.490 1.766 19007 4564 1 9 . 1 1 33 33 GLU CA C 33 58.810 58.810 58.884 -0.074 19007 4565 1 9 . 1 1 33 33 GLU CB C 33 29.510 29.510 29.518 -0.008 19007 4566 1 9 . 1 1 33 33 GLU H H 33 7.560 7.560 7.746 -0.186 19007 4567 1 9 . 1 1 34 34 LEU N N 34 121.930 121.930 118.411 3.519 19007 4568 1 9 . 1 1 34 34 LEU HA H 34 3.755 3.755 4.344 -0.589 19007 4569 1 9 . 1 1 34 34 LEU C C 34 178.205 178.205 177.736 0.469 19007 4570 1 9 . 1 1 34 34 LEU CA C 34 57.910 57.910 55.388 2.522 19007 4571 1 9 . 1 1 34 34 LEU CB C 34 41.980 41.980 41.059 0.921 19007 4572 1 9 . 1 1 34 34 LEU H H 34 7.730 7.730 8.211 -0.481 19007 4573 1 9 . 1 1 35 35 LEU N N 35 118.190 118.190 120.467 -2.277 19007 4574 1 9 . 1 1 35 35 LEU HA H 35 3.575 3.575 4.444 -0.869 19007 4575 1 9 . 1 1 35 35 LEU C C 35 179.295 179.295 178.015 1.280 19007 4576 1 9 . 1 1 35 35 LEU CA C 35 57.990 57.990 57.184 0.806 19007 4577 1 9 . 1 1 35 35 LEU CB C 35 40.900 40.900 43.901 -3.001 19007 4578 1 9 . 1 1 35 35 LEU H H 35 7.880 7.880 7.834 0.046 19007 4579 1 9 . 1 1 36 36 ASP N N 36 118.760 118.760 119.490 -0.730 19007 4580 1 9 . 1 1 36 36 ASP HA H 36 4.308 4.308 4.333 -0.025 19007 4581 1 9 . 1 1 36 36 ASP C C 36 178.819 178.819 178.228 0.591 19007 4582 1 9 . 1 1 36 36 ASP CA C 36 57.570 57.570 57.715 -0.145 19007 4583 1 9 . 1 1 36 36 ASP CB C 36 41.500 41.500 40.566 0.934 19007 4584 1 9 . 1 1 36 36 ASP H H 36 7.580 7.580 8.818 -1.238 19007 4585 1 9 . 1 1 37 37 GLY N N 37 107.520 107.520 108.593 -1.073 19007 4586 1 9 . 1 1 37 37 GLY C C 37 176.678 176.678 176.674 0.004 19007 4587 1 9 . 1 1 37 37 GLY CA C 37 47.340 47.340 47.444 -0.104 19007 4588 1 9 . 1 1 37 37 GLY H H 37 8.210 8.210 7.851 0.359 19007 4589 1 9 . 1 1 38 38 LEU N N 38 123.680 123.680 122.280 1.400 19007 4590 1 9 . 1 1 38 38 LEU HA H 38 4.007 4.007 4.226 -0.219 19007 4591 1 9 . 1 1 38 38 LEU C C 38 177.769 177.769 178.432 -0.663 19007 4592 1 9 . 1 1 38 38 LEU CA C 38 57.970 57.970 57.146 0.824 19007 4593 1 9 . 1 1 38 38 LEU CB C 38 42.250 42.250 41.913 0.337 19007 4594 1 9 . 1 1 38 38 LEU H H 38 8.800 8.800 7.319 1.481 19007 4595 1 9 . 1 1 39 39 GLN N N 39 118.840 118.840 120.525 -1.685 19007 4596 1 9 . 1 1 39 39 GLN HA H 39 3.887 3.887 3.836 0.051 19007 4597 1 9 . 1 1 39 39 GLN C C 39 178.443 178.443 178.095 0.348 19007 4598 1 9 . 1 1 39 39 GLN CA C 39 59.450 59.450 59.737 -0.287 19007 4599 1 9 . 1 1 39 39 GLN CB C 39 28.400 28.400 28.363 0.037 19007 4600 1 9 . 1 1 39 39 GLN H H 39 8.460 8.460 8.647 -0.187 19007 4601 1 9 . 1 1 40 40 ASN N N 40 116.110 116.110 118.047 -1.937 19007 4602 1 9 . 1 1 40 40 ASN HA H 40 4.488 4.488 4.450 0.038 19007 4603 1 9 . 1 1 40 40 ASN C C 40 177.491 177.491 177.752 -0.261 19007 4604 1 9 . 1 1 40 40 ASN CA C 40 56.330 56.330 55.977 0.353 19007 4605 1 9 . 1 1 40 40 ASN CB C 40 39.230 39.230 38.578 0.652 19007 4606 1 9 . 1 1 40 40 ASN H H 40 7.810 7.810 8.136 -0.326 19007 4607 1 9 . 1 1 41 41 MET N N 41 119.840 119.840 120.795 -0.955 19007 4608 1 9 . 1 1 41 41 MET HA H 41 4.344 4.344 4.184 0.160 19007 4609 1 9 . 1 1 41 41 MET C C 41 177.551 177.551 177.921 -0.370 19007 4610 1 9 . 1 1 41 41 MET CA C 41 58.140 58.140 58.021 0.119 19007 4611 1 9 . 1 1 41 41 MET CB C 41 32.600 32.600 32.476 0.124 19007 4612 1 9 . 1 1 41 41 MET H H 41 8.060 8.060 7.452 0.608 19007 4613 1 9 . 1 1 42 42 LEU N N 42 116.680 116.680 118.562 -1.882 19007 4614 1 9 . 1 1 42 42 LEU HA H 42 4.236 4.236 3.948 0.288 19007 4615 1 9 . 1 1 42 42 LEU C C 42 177.055 177.055 179.291 -2.236 19007 4616 1 9 . 1 1 42 42 LEU CA C 42 55.850 55.850 57.859 -2.010 19007 4617 1 9 . 1 1 42 42 LEU CB C 42 41.490 41.490 41.237 0.253 19007 4618 1 9 . 1 1 42 42 LEU H H 42 8.280 8.280 8.732 -0.452 19007 4619 1 9 . 1 1 43 43 SER N N 43 113.420 113.420 112.810 0.610 19007 4620 1 9 . 1 1 43 43 SER HA H 43 4.452 4.452 4.141 0.311 19007 4621 1 9 . 1 1 43 43 SER C C 43 174.755 174.755 174.967 -0.212 19007 4622 1 9 . 1 1 43 43 SER CA C 43 59.340 59.340 61.409 -2.069 19007 4623 1 9 . 1 1 43 43 SER CB C 43 63.580 63.580 63.172 0.409 19007 4624 1 9 . 1 1 43 43 SER H H 43 7.650 7.650 7.849 -0.199 19007 4625 1 9 . 1 1 44 44 ILE N N 44 120.390 120.390 118.067 2.323 19007 4626 1 9 . 1 1 44 44 ILE HA H 44 4.188 4.188 4.000 0.188 19007 4627 1 9 . 1 1 44 44 ILE C C 44 176.440 176.440 176.373 0.067 19007 4628 1 9 . 1 1 44 44 ILE CA C 44 61.500 61.500 62.249 -0.749 19007 4629 1 9 . 1 1 44 44 ILE CB C 44 38.640 38.640 38.784 -0.144 19007 4630 1 9 . 1 1 44 44 ILE H H 44 7.590 7.590 7.289 0.301 19007 4631 1 9 . 1 1 45 45 GLU N N 45 118.850 118.850 120.079 -1.229 19007 4632 1 9 . 1 1 45 45 GLU HA H 45 4.272 4.272 4.125 0.147 19007 4633 1 9 . 1 1 45 45 GLU C C 45 176.698 176.698 176.844 -0.146 19007 4634 1 9 . 1 1 45 45 GLU CA C 45 61.950 61.950 58.905 3.045 19007 4635 1 9 . 1 1 45 45 GLU CB C 45 29.840 29.840 30.921 -1.081 19007 4636 1 9 . 1 1 45 45 GLU H H 45 8.200 8.200 8.072 0.128 19007 4637 1 9 . 1 1 46 46 GLN N N 46 118.260 118.260 117.857 0.403 19007 4638 1 9 . 1 1 46 46 GLN HA H 46 4.212 4.212 4.580 -0.368 19007 4639 1 9 . 1 1 46 46 GLN C C 46 176.361 176.361 174.106 2.255 19007 4640 1 9 . 1 1 46 46 GLN CA C 46 56.770 56.770 55.564 1.206 19007 4641 1 9 . 1 1 46 46 GLN CB C 46 28.920 28.920 30.096 -1.176 19007 4642 1 9 . 1 1 46 46 GLN H H 46 8.270 8.270 8.155 0.115 19007 4643 1 9 . 1 1 47 47 TYR N N 47 117.690 117.690 120.224 -2.534 19007 4644 1 9 . 1 1 47 47 TYR HA H 47 4.701 4.701 5.122 -0.421 19007 4645 1 9 . 1 1 47 47 TYR C C 47 175.588 175.588 174.613 0.975 19007 4646 1 9 . 1 1 47 47 TYR CA C 47 58.290 58.290 56.248 2.042 19007 4647 1 9 . 1 1 47 47 TYR CB C 47 39.250 39.250 38.723 0.527 19007 4648 1 9 . 1 1 47 47 TYR H H 47 7.980 7.980 8.280 -0.300 19007 4649 1 9 . 1 1 48 48 THR N N 48 108.930 108.930 119.496 -10.566 19007 4650 1 9 . 1 1 48 48 THR HA H 48 4.464 4.464 4.168 0.296 19007 4651 1 9 . 1 1 48 48 THR C C 48 176.381 176.381 173.417 2.964 19007 4652 1 9 . 1 1 48 48 THR CA C 48 61.150 61.150 62.602 -1.452 19007 4653 1 9 . 1 1 48 48 THR CB C 48 70.190 70.190 68.326 1.863 19007 4654 1 9 . 1 1 48 48 THR H H 48 7.570 7.570 8.119 -0.549 19007 4655 1 9 . 1 1 49 49 ASP N N 49 121.350 121.350 125.716 -4.366 19007 4656 1 9 . 1 1 49 49 ASP HA H 49 4.752 4.752 4.718 0.034 19007 4657 1 9 . 1 1 49 49 ASP C C 49 177.015 177.015 176.817 0.198 19007 4658 1 9 . 1 1 49 49 ASP CA C 49 53.710 53.710 52.815 0.895 19007 4659 1 9 . 1 1 49 49 ASP CB C 49 41.200 41.200 43.435 -2.235 19007 4660 1 9 . 1 1 49 49 ASP H H 49 8.100 8.100 7.664 0.436 19007 4661 1 9 . 1 1 50 50 GLY N N 50 112.360 112.360 109.347 3.013 19007 4662 1 9 . 1 1 50 50 GLY C C 50 175.449 175.449 175.153 0.296 19007 4663 1 9 . 1 1 50 50 GLY CA C 50 46.000 46.000 45.811 0.189 19007 4664 1 9 . 1 1 50 50 GLY H H 50 9.080 9.080 8.605 0.475 19007 4665 1 9 . 1 1 51 51 LYS N N 51 119.510 119.510 120.322 -0.812 19007 4666 1 9 . 1 1 51 51 LYS HA H 51 4.200 4.200 4.515 -0.315 19007 4667 1 9 . 1 1 51 51 LYS C C 51 177.214 177.214 175.725 1.489 19007 4668 1 9 . 1 1 51 51 LYS CA C 51 56.540 56.540 55.307 1.233 19007 4669 1 9 . 1 1 51 51 LYS CB C 51 31.420 31.420 32.249 -0.829 19007 4670 1 9 . 1 1 51 51 LYS H H 51 8.590 8.590 8.585 0.005 19007 4671 1 9 . 1 1 52 52 GLY N N 52 108.180 108.180 108.968 -0.788 19007 4672 1 9 . 1 1 52 52 GLY C C 52 174.279 174.279 174.237 0.042 19007 4673 1 9 . 1 1 52 52 GLY CA C 52 45.450 45.450 44.874 0.576 19007 4674 1 9 . 1 1 52 52 GLY H H 52 8.670 8.670 7.681 0.989 19007 4675 1 9 . 1 1 53 53 GLN N N 53 120.010 120.010 120.279 -0.269 19007 4676 1 9 . 1 1 53 53 GLN HA H 53 4.440 4.440 4.045 0.395 19007 4677 1 9 . 1 1 53 53 GLN C C 53 175.001 175.001 175.766 -0.765 19007 4678 1 9 . 1 1 53 53 GLN CA C 53 54.580 54.580 56.096 -1.516 19007 4679 1 9 . 1 1 53 53 GLN CB C 53 30.330 30.330 29.066 1.264 19007 4680 1 9 . 1 1 53 53 GLN H H 53 7.860 7.860 8.350 -0.490 19007 4681 1 9 . 1 1 54 54 LYS N N 54 120.420 120.420 127.381 -6.961 19007 4682 1 9 . 1 1 54 54 LYS HA H 54 4.704 4.704 4.636 0.068 19007 4683 1 9 . 1 1 54 54 LYS C C 54 176.753 176.753 175.717 1.036 19007 4684 1 9 . 1 1 54 54 LYS CA C 54 55.830 55.830 55.712 0.118 19007 4685 1 9 . 1 1 54 54 LYS CB C 54 33.850 33.850 32.947 0.903 19007 4686 1 9 . 1 1 54 54 LYS H H 54 8.250 8.250 8.623 -0.373 19007 4687 1 9 . 1 1 55 55 ILE N N 55 125.360 125.360 129.647 -4.287 19007 4688 1 9 . 1 1 55 55 ILE HA H 55 4.169 4.169 4.722 -0.553 19007 4689 1 9 . 1 1 55 55 ILE C C 55 174.405 174.405 175.124 -0.719 19007 4690 1 9 . 1 1 55 55 ILE CA C 55 60.350 60.350 60.111 0.239 19007 4691 1 9 . 1 1 55 55 ILE CB C 55 39.690 39.690 37.627 2.063 19007 4692 1 9 . 1 1 55 55 ILE H H 55 9.050 9.050 8.835 0.215 19007 4693 1 9 . 1 1 56 56 SER N N 56 121.850 121.850 121.787 0.063 19007 4694 1 9 . 1 1 56 56 SER HA H 56 4.480 4.480 4.854 -0.374 19007 4695 1 9 . 1 1 56 56 SER C C 56 174.105 174.105 173.759 0.346 19007 4696 1 9 . 1 1 56 56 SER CA C 56 57.410 57.410 57.653 -0.243 19007 4697 1 9 . 1 1 56 56 SER CB C 56 64.080 64.080 62.849 1.231 19007 4698 1 9 . 1 1 56 56 SER H H 56 8.330 8.330 8.194 0.136 19007 4699 1 9 . 1 1 57 57 VAL N N 57 123.190 123.190 127.035 -3.845 19007 4700 1 9 . 1 1 57 57 VAL HA H 57 4.861 4.861 3.960 0.901 19007 4701 1 9 . 1 1 57 57 VAL C C 57 174.869 174.869 174.902 -0.033 19007 4702 1 9 . 1 1 57 57 VAL CA C 57 61.130 61.130 62.721 -1.591 19007 4703 1 9 . 1 1 57 57 VAL CB C 57 33.600 33.600 31.455 2.145 19007 4704 1 9 . 1 1 57 57 VAL H H 57 8.680 8.680 8.131 0.549 19007 4705 1 9 . 1 1 58 58 HIS N N 58 129.590 129.590 127.827 1.763 19007 4706 1 9 . 1 1 58 58 HIS HA H 58 5.076 5.076 5.109 -0.033 19007 4707 1 9 . 1 1 58 58 HIS C C 58 174.351 174.351 175.155 -0.804 19007 4708 1 9 . 1 1 58 58 HIS CA C 58 54.420 54.420 53.845 0.575 19007 4709 1 9 . 1 1 58 58 HIS CB C 58 31.720 31.720 29.998 1.722 19007 4710 1 9 . 1 1 58 58 HIS H H 58 9.050 9.050 8.634 0.416 19007 4711 1 9 . 1 1 59 59 VAL N N 59 125.260 125.260 121.407 3.853 19007 4712 1 9 . 1 1 59 59 VAL HA H 59 4.408 4.408 4.499 -0.091 19007 4713 1 9 . 1 1 59 59 VAL C C 59 174.460 174.460 175.128 -0.668 19007 4714 1 9 . 1 1 59 59 VAL CA C 59 62.370 62.370 61.143 1.227 19007 4715 1 9 . 1 1 59 59 VAL CB C 59 32.760 32.760 30.490 2.270 19007 4716 1 9 . 1 1 59 59 VAL H H 59 8.800 8.800 8.424 0.376 19007 4717 1 9 . 1 1 60 60 LYS N N 60 128.520 128.520 127.580 0.940 19007 4718 1 9 . 1 1 60 60 LYS HA H 60 4.909 4.909 4.450 0.459 19007 4719 1 9 . 1 1 60 60 LYS C C 60 175.825 175.825 175.936 -0.111 19007 4720 1 9 . 1 1 60 60 LYS CA C 60 54.450 54.450 55.350 -0.900 19007 4721 1 9 . 1 1 60 60 LYS CB C 60 32.490 32.490 30.801 1.689 19007 4722 1 9 . 1 1 60 60 LYS H H 60 9.040 9.040 8.164 0.876 19007 4723 1 9 . 1 1 61 61 LEU N N 61 121.430 121.430 121.225 0.205 19007 4724 1 9 . 1 1 61 61 LEU HA H 61 4.527 4.527 4.341 0.186 19007 4725 1 9 . 1 1 61 61 LEU C C 61 178.910 178.910 178.504 0.406 19007 4726 1 9 . 1 1 61 61 LEU CA C 61 54.410 54.410 56.464 -2.054 19007 4727 1 9 . 1 1 61 61 LEU CB C 61 44.330 44.330 42.906 1.424 19007 4728 1 9 . 1 1 61 61 LEU H H 61 8.700 8.700 7.924 0.776 19007 4729 1 9 . 1 1 62 62 GLY N N 62 110.520 110.520 104.101 6.419 19007 4730 1 9 . 1 1 62 62 GLY C C 62 175.350 175.350 173.101 2.249 19007 4731 1 9 . 1 1 62 62 GLY CA C 62 46.710 46.710 45.596 1.113 19007 4732 1 9 . 1 1 62 62 GLY H H 62 9.060 9.060 9.327 -0.267 19007 4733 1 9 . 1 1 63 63 ASN N N 63 127.090 127.090 121.332 5.758 19007 4734 1 9 . 1 1 63 63 ASN HA H 63 4.778 4.778 5.022 -0.244 19007 4735 1 9 . 1 1 63 63 ASN C C 63 174.214 174.214 175.620 -1.406 19007 4736 1 9 . 1 1 63 63 ASN CA C 63 52.910 52.910 52.619 0.291 19007 4737 1 9 . 1 1 63 63 ASN CB C 63 38.100 38.100 39.252 -1.152 19007 4738 1 9 . 1 1 63 63 ASN H H 63 10.390 10.390 8.643 1.747 19007 4739 1 9 . 1 1 64 64 ARG N N 64 121.850 121.850 122.004 -0.154 19007 4740 1 9 . 1 1 64 64 ARG HA H 64 4.265 4.265 4.317 -0.052 19007 4741 1 9 . 1 1 64 64 ARG C C 64 174.214 174.214 177.034 -2.820 19007 4742 1 9 . 1 1 64 64 ARG CA C 64 56.330 56.330 56.907 -0.577 19007 4743 1 9 . 1 1 64 64 ARG CB C 64 33.860 33.860 30.775 3.085 19007 4744 1 9 . 1 1 64 64 ARG H H 64 7.520 7.520 8.456 -0.936 19007 4745 1 9 . 1 1 65 65 PHE N N 65 127.760 127.760 117.881 9.879 19007 4746 1 9 . 1 1 65 65 PHE HA H 65 4.503 4.503 4.093 0.410 19007 4747 1 9 . 1 1 65 65 PHE C C 65 176.508 176.508 174.033 2.475 19007 4748 1 9 . 1 1 65 65 PHE CA C 65 56.760 56.760 58.145 -1.385 19007 4749 1 9 . 1 1 65 65 PHE CB C 65 40.430 40.430 37.919 2.511 19007 4750 1 9 . 1 1 65 65 PHE H H 65 8.580 8.580 8.281 0.299 19007 4751 1 9 . 1 1 66 66 LEU N N 66 125.260 125.260 123.514 1.746 19007 4752 1 9 . 1 1 66 66 LEU HA H 66 4.288 4.288 4.266 0.022 19007 4753 1 9 . 1 1 66 66 LEU C C 66 176.508 176.508 176.521 -0.013 19007 4754 1 9 . 1 1 66 66 LEU CA C 66 53.080 53.080 54.763 -1.683 19007 4755 1 9 . 1 1 66 66 LEU CB C 66 43.170 43.170 43.059 0.111 19007 4756 1 9 . 1 1 66 66 LEU H H 66 8.040 8.040 7.626 0.414 19007 4757 1 9 . 1 1 67 67 TYR N N 67 120.480 120.480 124.829 -4.349 19007 4758 1 9 . 1 1 67 67 TYR HA H 67 4.515 4.515 4.464 0.051 19007 4759 1 9 . 1 1 67 67 TYR C C 67 177.791 177.791 176.044 1.747 19007 4760 1 9 . 1 1 67 67 TYR CA C 67 58.120 58.120 57.199 0.921 19007 4761 1 9 . 1 1 67 67 TYR CB C 67 39.320 39.320 37.014 2.306 19007 4762 1 9 . 1 1 67 67 TYR H H 67 7.880 7.880 8.681 -0.801 19007 4763 1 9 . 1 1 68 68 LYS N N 68 125.020 125.020 125.169 -0.149 19007 4764 1 9 . 1 1 68 68 LYS HA H 68 4.034 4.034 3.931 0.103 19007 4765 1 9 . 1 1 68 68 LYS C C 68 178.364 178.364 177.977 0.387 19007 4766 1 9 . 1 1 68 68 LYS CA C 68 60.130 60.130 59.283 0.847 19007 4767 1 9 . 1 1 68 68 LYS CB C 68 32.150 32.150 32.056 0.094 19007 4768 1 9 . 1 1 68 68 LYS H H 68 9.120 9.120 7.931 1.189 19007 4769 1 9 . 1 1 69 69 GLU N N 69 116.430 116.430 118.770 -2.340 19007 4770 1 9 . 1 1 69 69 GLU HA H 69 4.133 4.133 4.043 0.090 19007 4771 1 9 . 1 1 69 69 GLU C C 69 179.538 179.538 178.738 0.800 19007 4772 1 9 . 1 1 69 69 GLU CA C 69 60.030 60.030 59.715 0.315 19007 4773 1 9 . 1 1 69 69 GLU CB C 69 28.560 28.560 28.667 -0.107 19007 4774 1 9 . 1 1 69 69 GLU H H 69 9.460 9.460 8.683 0.777 19007 4775 1 9 . 1 1 70 70 GLN N N 70 117.670 117.670 118.111 -0.441 19007 4776 1 9 . 1 1 70 70 GLN HA H 70 4.120 4.120 4.164 -0.044 19007 4777 1 9 . 1 1 70 70 GLN C C 70 177.955 177.955 178.751 -0.796 19007 4778 1 9 . 1 1 70 70 GLN CA C 70 57.950 57.950 58.221 -0.272 19007 4779 1 9 . 1 1 70 70 GLN CB C 70 29.290 29.290 28.439 0.851 19007 4780 1 9 . 1 1 70 70 GLN H H 70 7.000 7.000 7.769 -0.769 19007 4781 1 9 . 1 1 71 71 GLU N N 71 120.850 120.850 119.235 1.615 19007 4782 1 9 . 1 1 71 71 GLU HA H 71 3.668 3.668 4.123 -0.455 19007 4783 1 9 . 1 1 71 71 GLU C C 71 179.429 179.429 178.943 0.486 19007 4784 1 9 . 1 1 71 71 GLU CA C 71 60.620 60.620 58.736 1.884 19007 4785 1 9 . 1 1 71 71 GLU CB C 71 29.660 29.660 29.299 0.361 19007 4786 1 9 . 1 1 71 71 GLU H H 71 8.080 8.080 7.559 0.521 19007 4787 1 9 . 1 1 72 72 GLU N N 72 119.670 119.670 121.153 -1.483 19007 4788 1 9 . 1 1 72 72 GLU HA H 72 4.038 4.038 3.942 0.096 19007 4789 1 9 . 1 1 72 72 GLU C C 72 178.446 178.446 178.566 -0.120 19007 4790 1 9 . 1 1 72 72 GLU CA C 72 59.690 59.690 59.990 -0.300 19007 4791 1 9 . 1 1 72 72 GLU CB C 72 29.350 29.350 29.609 -0.259 19007 4792 1 9 . 1 1 72 72 GLU H H 72 8.390 8.390 8.720 -0.330 19007 4793 1 9 . 1 1 73 73 GLN N N 73 119.030 119.030 117.358 1.672 19007 4794 1 9 . 1 1 73 73 GLN HA H 73 4.110 4.110 4.032 0.078 19007 4795 1 9 . 1 1 73 73 GLN C C 73 179.320 179.320 178.174 1.146 19007 4796 1 9 . 1 1 73 73 GLN CA C 73 59.470 59.470 58.660 0.810 19007 4797 1 9 . 1 1 73 73 GLN CB C 73 29.480 29.480 28.199 1.281 19007 4798 1 9 . 1 1 73 73 GLN H H 73 7.730 7.730 8.140 -0.410 19007 4799 1 9 . 1 1 74 74 LEU N N 74 119.760 119.760 113.732 6.028 19007 4800 1 9 . 1 1 74 74 LEU HA H 74 3.918 3.918 4.462 -0.544 19007 4801 1 9 . 1 1 74 74 LEU C C 74 177.818 177.818 178.409 -0.591 19007 4802 1 9 . 1 1 74 74 LEU CA C 74 58.720 58.720 56.933 1.787 19007 4803 1 9 . 1 1 74 74 LEU CB C 74 42.890 42.890 41.745 1.145 19007 4804 1 9 . 1 1 74 74 LEU H H 74 8.290 8.290 7.241 1.049 19007 4805 1 9 . 1 1 75 75 THR N N 75 113.520 113.520 116.750 -3.230 19007 4806 1 9 . 1 1 75 75 THR HA H 75 3.680 3.680 3.983 -0.303 19007 4807 1 9 . 1 1 75 75 THR C C 75 176.480 176.480 176.566 -0.086 19007 4808 1 9 . 1 1 75 75 THR CA C 75 66.990 66.990 67.062 -0.072 19007 4809 1 9 . 1 1 75 75 THR CB C 75 68.640 68.640 68.345 0.295 19007 4810 1 9 . 1 1 75 75 THR H H 75 8.450 8.450 8.103 0.347 19007 4811 1 9 . 1 1 76 76 GLU N N 76 121.340 121.340 121.157 0.183 19007 4812 1 9 . 1 1 76 76 GLU HA H 76 4.014 4.014 3.992 0.022 19007 4813 1 9 . 1 1 76 76 GLU C C 76 178.965 178.965 178.708 0.257 19007 4814 1 9 . 1 1 76 76 GLU CA C 76 59.190 59.190 59.530 -0.340 19007 4815 1 9 . 1 1 76 76 GLU CB C 76 29.590 29.590 29.122 0.469 19007 4816 1 9 . 1 1 76 76 GLU H H 76 8.330 8.330 8.356 -0.026 19007 4817 1 9 . 1 1 77 77 LEU N N 77 120.170 120.170 119.318 0.852 19007 4818 1 9 . 1 1 77 77 LEU HA H 77 3.955 3.955 4.074 -0.119 19007 4819 1 9 . 1 1 77 77 LEU C C 77 180.057 180.057 179.519 0.538 19007 4820 1 9 . 1 1 77 77 LEU CA C 77 58.510 58.510 58.315 0.195 19007 4821 1 9 . 1 1 77 77 LEU CB C 77 42.716 42.716 41.903 0.813 19007 4822 1 9 . 1 1 77 77 LEU H H 77 7.560 7.560 7.346 0.214 19007 4823 1 9 . 1 1 78 78 ILE N N 78 119.930 119.930 118.654 1.276 19007 4824 1 9 . 1 1 78 78 ILE HA H 78 3.429 3.429 3.710 -0.281 19007 4825 1 9 . 1 1 78 78 ILE C C 78 176.043 176.043 177.629 -1.586 19007 4826 1 9 . 1 1 78 78 ILE CA C 78 65.740 65.740 64.210 1.530 19007 4827 1 9 . 1 1 78 78 ILE CB C 78 37.960 37.960 37.252 0.708 19007 4828 1 9 . 1 1 78 78 ILE H H 78 7.740 7.740 7.346 0.394 19007 4829 1 9 . 1 1 79 79 ALA N N 79 116.940 116.940 122.764 -5.824 19007 4830 1 9 . 1 1 79 79 ALA HA H 79 4.229 4.229 3.982 0.247 19007 4831 1 9 . 1 1 79 79 ALA C C 79 178.719 178.719 179.710 -0.991 19007 4832 1 9 . 1 1 79 79 ALA CA C 79 53.390 53.390 55.182 -1.792 19007 4833 1 9 . 1 1 79 79 ALA CB C 79 18.500 18.500 17.770 0.730 19007 4834 1 9 . 1 1 79 79 ALA H H 79 8.210 8.210 8.464 -0.254 19007 4835 1 9 . 1 1 80 80 SER N N 80 113.260 113.260 114.799 -1.539 19007 4836 1 9 . 1 1 80 80 SER HA H 80 4.253 4.253 4.218 0.035 19007 4837 1 9 . 1 1 80 80 SER C C 80 174.869 174.869 175.342 -0.473 19007 4838 1 9 . 1 1 80 80 SER CA C 80 60.550 60.550 61.003 -0.453 19007 4839 1 9 . 1 1 80 80 SER CB C 80 63.130 63.130 63.436 -0.306 19007 4840 1 9 . 1 1 80 80 SER H H 80 7.600 7.600 8.031 -0.431 19007 4841 1 9 . 1 1 81 81 LYS N N 81 123.510 123.510 117.053 6.457 19007 4842 1 9 . 1 1 81 81 LYS HA H 81 4.527 4.527 4.625 -0.098 19007 4843 1 9 . 1 1 81 81 LYS C C 81 176.289 176.289 175.171 1.118 19007 4844 1 9 . 1 1 81 81 LYS CA C 81 54.000 54.000 55.172 -1.172 19007 4845 1 9 . 1 1 81 81 LYS CB C 81 30.440 30.440 32.099 -1.659 19007 4846 1 9 . 1 1 81 81 LYS H H 81 7.690 7.690 7.855 -0.165 19007 4847 1 9 . 1 1 82 82 LYS N N 82 120.760 120.760 121.132 -0.372 19007 4848 1 9 . 1 1 82 82 LYS HA H 82 4.539 4.539 4.261 0.278 19007 4849 1 9 . 1 1 82 82 LYS C C 82 176.835 176.835 175.898 0.937 19007 4850 1 9 . 1 1 82 82 LYS CA C 82 59.090 59.090 56.610 2.480 19007 4851 1 9 . 1 1 82 82 LYS CB C 82 32.330 32.330 30.530 1.800 19007 4852 1 9 . 1 1 82 82 LYS H H 82 8.190 8.190 7.708 0.482 19007 4853 1 9 . 1 1 83 83 ASP N N 83 117.280 117.280 120.761 -3.481 19007 4854 1 9 . 1 1 83 83 ASP HA H 83 4.659 4.659 4.459 0.200 19007 4855 1 9 . 1 1 83 83 ASP C C 83 174.460 174.460 176.305 -1.845 19007 4856 1 9 . 1 1 83 83 ASP CA C 83 55.390 55.390 55.066 0.325 19007 4857 1 9 . 1 1 83 83 ASP CB C 83 40.680 40.680 41.250 -0.570 19007 4858 1 9 . 1 1 83 83 ASP H H 83 8.670 8.670 8.243 0.427 19007 4859 1 9 . 1 1 84 84 LEU N N 84 117.780 117.780 118.413 -0.633 19007 4860 1 9 . 1 1 84 84 LEU HA H 84 5.100 5.100 4.089 1.011 19007 4861 1 9 . 1 1 84 84 LEU C C 84 176.753 176.753 177.734 -0.981 19007 4862 1 9 . 1 1 84 84 LEU CA C 84 54.560 54.560 53.762 0.798 19007 4863 1 9 . 1 1 84 84 LEU CB C 84 43.690 43.690 41.582 2.108 19007 4864 1 9 . 1 1 84 84 LEU H H 84 7.640 7.640 7.617 0.023 19007 4865 1 9 . 1 1 85 85 PHE N N 85 117.610 117.610 120.671 -3.061 19007 4866 1 9 . 1 1 85 85 PHE HA H 85 4.754 4.754 4.535 0.219 19007 4867 1 9 . 1 1 85 85 PHE C C 85 173.204 173.204 175.050 -1.846 19007 4868 1 9 . 1 1 85 85 PHE CA C 85 56.400 56.400 57.826 -1.426 19007 4869 1 9 . 1 1 85 85 PHE CB C 85 42.000 42.000 37.523 4.477 19007 4870 1 9 . 1 1 85 85 PHE H H 85 8.280 8.280 8.275 0.005 19007 4871 1 9 . 1 1 86 86 VAL N N 86 123.600 123.600 122.377 1.223 19007 4872 1 9 . 1 1 86 86 VAL HA H 86 3.882 3.882 4.563 -0.681 19007 4873 1 9 . 1 1 86 86 VAL C C 86 174.651 174.651 175.021 -0.370 19007 4874 1 9 . 1 1 86 86 VAL CA C 86 63.640 63.640 60.840 2.800 19007 4875 1 9 . 1 1 86 86 VAL CB C 86 31.440 31.440 32.862 -1.422 19007 4876 1 9 . 1 1 86 86 VAL H H 86 8.880 8.880 7.711 1.169 19007 4877 1 9 . 1 1 87 87 HIS N N 87 130.690 130.690 128.772 1.918 19007 4878 1 9 . 1 1 87 87 HIS HA H 87 4.420 4.420 4.901 -0.481 19007 4879 1 9 . 1 1 87 87 HIS C C 87 175.497 175.497 174.052 1.445 19007 4880 1 9 . 1 1 87 87 HIS CA C 87 58.090 58.090 55.249 2.841 19007 4881 1 9 . 1 1 87 87 HIS CB C 87 32.870 32.870 31.041 1.829 19007 4882 1 9 . 1 1 87 87 HIS H H 87 9.320 9.320 8.879 0.441 19007 4883 1 9 . 1 1 88 88 SER N N 88 109.280 109.280 120.760 -11.480 19007 4884 1 9 . 1 1 88 88 SER HA H 88 4.503 4.503 5.473 -0.970 19007 4885 1 9 . 1 1 88 88 SER C C 88 172.248 172.248 173.530 -1.282 19007 4886 1 9 . 1 1 88 88 SER CA C 88 57.560 57.560 57.614 -0.054 19007 4887 1 9 . 1 1 88 88 SER CB C 88 64.890 64.890 64.515 0.375 19007 4888 1 9 . 1 1 88 88 SER H H 88 7.370 7.370 8.585 -1.215 19007 4889 1 9 . 1 1 89 89 ILE N N 89 122.260 122.260 124.866 -2.606 19007 4890 1 9 . 1 1 89 89 ILE HA H 89 4.265 4.265 4.472 -0.207 19007 4891 1 9 . 1 1 89 89 ILE C C 89 174.569 174.569 173.195 1.374 19007 4892 1 9 . 1 1 89 89 ILE CA C 89 61.110 61.110 60.417 0.693 19007 4893 1 9 . 1 1 89 89 ILE CB C 89 39.960 39.960 41.369 -1.409 19007 4894 1 9 . 1 1 89 89 ILE H H 89 8.400 8.400 9.156 -0.756 19007 4895 1 9 . 1 1 90 90 ASP N N 90 126.690 126.690 125.984 0.706 19007 4896 1 9 . 1 1 90 90 ASP HA H 90 5.064 5.064 5.475 -0.411 19007 4897 1 9 . 1 1 90 90 ASP C C 90 174.469 174.469 175.489 -1.020 19007 4898 1 9 . 1 1 90 90 ASP CA C 90 53.600 53.600 52.363 1.237 19007 4899 1 9 . 1 1 90 90 ASP CB C 90 44.230 44.230 43.195 1.035 19007 4900 1 9 . 1 1 90 90 ASP H H 90 8.800 8.800 8.519 0.281 19007 4901 1 9 . 1 1 91 91 SER N N 91 116.760 116.760 112.470 4.290 19007 4902 1 9 . 1 1 91 91 SER HA H 91 4.781 4.781 4.716 0.065 19007 4903 1 9 . 1 1 91 91 SER C C 91 173.164 173.164 173.617 -0.453 19007 4904 1 9 . 1 1 91 91 SER CA C 91 57.430 57.430 57.542 -0.112 19007 4905 1 9 . 1 1 91 91 SER CB C 91 65.250 65.250 64.098 1.152 19007 4906 1 9 . 1 1 91 91 SER H H 91 8.500 8.500 8.415 0.085 19007 4907 1 9 . 1 1 92 92 GLU N N 92 123.420 123.420 122.048 1.372 19007 4908 1 9 . 1 1 92 92 GLU HA H 92 4.355 4.355 5.172 -0.817 19007 4909 1 9 . 1 1 92 92 GLU C C 92 176.419 176.419 176.787 -0.368 19007 4910 1 9 . 1 1 92 92 GLU CA C 92 56.250 56.250 54.383 1.867 19007 4911 1 9 . 1 1 92 92 GLU CB C 92 30.730 30.730 30.826 -0.096 19007 4912 1 9 . 1 1 92 92 GLU H H 92 8.620 8.620 8.804 -0.184 19007 4913 1 9 . 1 1 93 93 VAL N N 93 122.090 122.090 121.154 0.936 19007 4914 1 9 . 1 1 93 93 VAL HA H 93 4.105 4.105 4.288 -0.183 19007 4915 1 9 . 1 1 93 93 VAL CA C 93 62.240 62.240 60.864 1.376 19007 4916 1 9 . 1 1 93 93 VAL CB C 93 32.860 32.860 32.974 -0.114 19007 4917 1 9 . 1 1 93 93 VAL H H 93 8.220 8.220 8.427 -0.207 19007 4918 1 9 . 1 1 96 96 LYS HA H 96 4.079 4.079 4.437 -0.358 19007 4919 1 9 . 1 1 96 96 LYS C C 96 176.053 176.053 175.465 0.588 19007 4920 1 9 . 1 1 96 96 LYS CA C 96 62.497 62.497 56.470 6.027 19007 4921 1 9 . 1 1 96 96 LYS CB C 96 32.776 32.776 32.945 -0.169 19007 4922 1 9 . 1 1 97 97 LYS N N 97 126.170 126.170 125.231 0.939 19007 4923 1 9 . 1 1 97 97 LYS HA H 97 4.300 4.300 4.478 -0.178 19007 4924 1 9 . 1 1 97 97 LYS C C 97 176.665 176.665 176.291 0.374 19007 4925 1 9 . 1 1 97 97 LYS CA C 97 56.730 56.730 56.353 0.377 19007 4926 1 9 . 1 1 97 97 LYS CB C 97 33.020 33.020 34.619 -1.599 19007 4927 1 9 . 1 1 97 97 LYS H H 97 8.500 8.500 8.595 -0.095 19007 4928 1 9 . 1 1 98 98 GLU N N 98 122.020 122.020 126.575 -4.555 19007 4929 1 9 . 1 1 98 98 GLU HA H 98 4.226 4.226 4.346 -0.120 19007 4930 1 9 . 1 1 98 98 GLU C C 98 176.382 176.382 175.606 0.776 19007 4931 1 9 . 1 1 98 98 GLU CA C 98 56.890 56.890 56.262 0.628 19007 4932 1 9 . 1 1 98 98 GLU CB C 98 30.410 30.410 28.890 1.520 19007 4933 1 9 . 1 1 98 98 GLU H H 98 8.470 8.470 8.926 -0.456 19007 4934 1 9 . 1 1 99 99 ALA N N 99 124.770 124.770 124.686 0.084 19007 4935 1 9 . 1 1 99 99 ALA HA H 99 4.281 4.281 4.478 -0.197 19007 4936 1 9 . 1 1 99 99 ALA C C 99 177.723 177.723 176.660 1.063 19007 4937 1 9 . 1 1 99 99 ALA CA C 99 52.880 52.880 51.591 1.289 19007 4938 1 9 . 1 1 99 99 ALA CB C 99 19.320 19.320 18.253 1.067 19007 4939 1 9 . 1 1 99 99 ALA H H 99 8.310 8.310 7.867 0.443 19007 4940 1 9 . 1 1 100 100 GLN N N 100 119.190 119.190 121.694 -2.504 19007 4941 1 9 . 1 1 100 100 GLN HA H 100 4.266 4.266 4.384 -0.118 19007 4942 1 9 . 1 1 100 100 GLN CA C 100 56.000 56.000 55.503 0.497 19007 4943 1 9 . 1 1 100 100 GLN CB C 100 29.970 29.970 30.102 -0.132 19007 4944 1 9 . 1 1 100 100 GLN H H 100 8.280 8.280 7.997 0.283 19007 4945 1 9 . 1 1 101 101 GLN N N 101 120.421 120.421 125.735 -5.314 19007 4946 1 9 . 1 1 101 101 GLN HA H 101 4.650 4.650 4.348 0.302 19007 4947 1 9 . 1 1 101 101 GLN C C 101 175.725 175.725 175.363 0.362 19007 4948 1 9 . 1 1 101 101 GLN CA C 101 56.073 56.073 56.194 -0.121 19007 4949 1 9 . 1 1 101 101 GLN CB C 101 29.524 29.524 27.554 1.970 19007 4950 1 9 . 1 1 101 101 GLN H H 101 8.114 8.114 8.783 -0.669 19007 4951 1 9 . 1 1 102 102 ILE N N 102 122.940 122.940 124.963 -2.023 19007 4952 1 9 . 1 1 102 102 ILE HA H 102 4.119 4.119 4.357 -0.238 19007 4953 1 9 . 1 1 102 102 ILE C C 102 175.916 175.916 174.340 1.576 19007 4954 1 9 . 1 1 102 102 ILE CA C 102 61.260 61.260 61.616 -0.356 19007 4955 1 9 . 1 1 102 102 ILE CB C 102 38.790 38.790 38.650 0.140 19007 4956 1 9 . 1 1 102 102 ILE H H 102 8.240 8.240 8.013 0.227 19007 4957 1 9 . 1 1 103 103 ARG N N 103 125.780 125.780 126.684 -0.904 19007 4958 1 9 . 1 1 103 103 ARG HA H 103 4.369 4.369 4.662 -0.293 19007 4959 1 9 . 1 1 103 103 ARG C C 103 175.752 175.752 175.738 0.014 19007 4960 1 9 . 1 1 103 103 ARG CA C 103 55.940 55.940 55.852 0.088 19007 4961 1 9 . 1 1 103 103 ARG CB C 103 31.340 31.340 31.917 -0.577 19007 4962 1 9 . 1 1 103 103 ARG H H 103 8.400 8.400 8.507 -0.107 19007 4963 1 9 . 1 1 104 104 GLU N N 104 123.840 123.840 121.381 2.459 19007 4964 1 9 . 1 1 104 104 GLU HA H 104 4.296 4.296 4.350 -0.054 19007 4965 1 9 . 1 1 104 104 GLU C C 104 175.314 175.314 176.135 -0.821 19007 4966 1 9 . 1 1 104 104 GLU CA C 104 56.430 56.430 56.917 -0.487 19007 4967 1 9 . 1 1 104 104 GLU CB C 104 30.560 30.560 30.004 0.556 19007 4968 1 9 . 1 1 104 104 GLU H H 104 8.510 8.510 8.696 -0.186 19007 4969 1 10 . 1 1 6 6 THR HA H 6 4.321 4.321 4.218 0.103 19007 4970 1 10 . 1 1 6 6 THR C C 6 174.339 174.339 174.299 0.040 19007 4971 1 10 . 1 1 6 6 THR CA C 6 62.139 62.139 64.406 -2.267 19007 4972 1 10 . 1 1 6 6 THR CB C 6 69.788 69.788 69.389 0.399 19007 4973 1 10 . 1 1 7 7 LYS N N 7 124.350 124.350 119.580 4.770 19007 4974 1 10 . 1 1 7 7 LYS HA H 7 4.265 4.265 4.610 -0.345 19007 4975 1 10 . 1 1 7 7 LYS C C 7 176.341 176.341 174.943 1.398 19007 4976 1 10 . 1 1 7 7 LYS CA C 7 56.980 56.980 54.998 1.982 19007 4977 1 10 . 1 1 7 7 LYS CB C 7 33.110 33.110 35.257 -2.147 19007 4978 1 10 . 1 1 7 7 LYS H H 7 8.320 8.320 7.899 0.421 19007 4979 1 10 . 1 1 8 8 LYS N N 8 123.170 123.170 120.411 2.759 19007 4980 1 10 . 1 1 8 8 LYS HA H 8 4.253 4.253 4.652 -0.399 19007 4981 1 10 . 1 1 8 8 LYS C C 8 176.083 176.083 176.043 0.040 19007 4982 1 10 . 1 1 8 8 LYS CA C 8 56.450 56.450 56.111 0.339 19007 4983 1 10 . 1 1 8 8 LYS CB C 8 33.480 33.480 34.286 -0.806 19007 4984 1 10 . 1 1 8 8 LYS H H 8 8.340 8.340 8.289 0.051 19007 4985 1 10 . 1 1 9 9 GLN N N 9 123.010 123.010 119.815 3.195 19007 4986 1 10 . 1 1 9 9 GLN HA H 9 4.289 4.289 4.330 -0.041 19007 4987 1 10 . 1 1 9 9 GLN C C 9 174.914 174.914 175.146 -0.232 19007 4988 1 10 . 1 1 9 9 GLN CA C 9 56.520 56.520 56.978 -0.458 19007 4989 1 10 . 1 1 9 9 GLN CB C 9 30.790 30.790 29.520 1.270 19007 4990 1 10 . 1 1 9 9 GLN H H 9 8.440 8.440 8.601 -0.161 19007 4991 1 10 . 1 1 10 10 GLN N N 10 121.180 121.180 116.827 4.353 19007 4992 1 10 . 1 1 10 10 GLN HA H 10 4.769 4.769 4.592 0.177 19007 4993 1 10 . 1 1 10 10 GLN C C 10 175.865 175.865 174.309 1.556 19007 4994 1 10 . 1 1 10 10 GLN CA C 10 55.580 55.580 55.282 0.298 19007 4995 1 10 . 1 1 10 10 GLN CB C 10 29.630 29.630 29.565 0.065 19007 4996 1 10 . 1 1 10 10 GLN H H 10 8.170 8.170 7.783 0.387 19007 4997 1 10 . 1 1 11 11 TYR N N 11 120.110 120.110 124.637 -4.527 19007 4998 1 10 . 1 1 11 11 TYR HA H 11 4.769 4.769 4.556 0.213 19007 4999 1 10 . 1 1 11 11 TYR C C 11 174.319 174.319 174.061 0.258 19007 5000 1 10 . 1 1 11 11 TYR CA C 11 58.490 58.490 58.397 0.093 19007 5001 1 10 . 1 1 11 11 TYR CB C 11 39.350 39.350 39.902 -0.552 19007 5002 1 10 . 1 1 11 11 TYR H H 11 8.470 8.470 8.702 -0.232 19007 5003 1 10 . 1 1 12 12 VAL N N 12 117.030 117.030 123.010 -5.980 19007 5004 1 10 . 1 1 12 12 VAL HA H 12 4.793 4.793 5.183 -0.390 19007 5005 1 10 . 1 1 12 12 VAL C C 12 174.636 174.636 174.418 0.218 19007 5006 1 10 . 1 1 12 12 VAL CA C 12 60.730 60.730 60.913 -0.183 19007 5007 1 10 . 1 1 12 12 VAL CB C 12 34.790 34.790 34.798 -0.008 19007 5008 1 10 . 1 1 12 12 VAL H H 12 7.590 7.590 8.037 -0.447 19007 5009 1 10 . 1 1 13 13 THR N N 13 121.770 121.770 123.480 -1.710 19007 5010 1 10 . 1 1 13 13 THR HA H 13 4.615 4.615 4.706 -0.091 19007 5011 1 10 . 1 1 13 13 THR C C 13 173.030 173.030 172.164 0.866 19007 5012 1 10 . 1 1 13 13 THR CA C 13 61.540 61.540 61.680 -0.140 19007 5013 1 10 . 1 1 13 13 THR CB C 13 71.050 71.050 70.727 0.323 19007 5014 1 10 . 1 1 13 13 THR H H 13 8.620 8.620 8.693 -0.073 19007 5015 1 10 . 1 1 14 14 ILE N N 14 126.190 126.190 126.363 -0.173 19007 5016 1 10 . 1 1 14 14 ILE HA H 14 4.781 4.781 4.528 0.253 19007 5017 1 10 . 1 1 14 14 ILE C C 14 175.112 175.112 174.236 0.876 19007 5018 1 10 . 1 1 14 14 ILE CA C 14 61.120 61.120 60.571 0.549 19007 5019 1 10 . 1 1 14 14 ILE CB C 14 40.340 40.340 39.981 0.359 19007 5020 1 10 . 1 1 14 14 ILE H H 14 8.890 8.890 8.567 0.323 19007 5021 1 10 . 1 1 15 15 LYS N N 15 127.020 127.020 128.112 -1.092 19007 5022 1 10 . 1 1 15 15 LYS HA H 15 4.734 4.734 4.713 0.021 19007 5023 1 10 . 1 1 15 15 LYS C C 15 175.409 175.409 175.069 0.340 19007 5024 1 10 . 1 1 15 15 LYS CA C 15 54.740 54.740 55.040 -0.300 19007 5025 1 10 . 1 1 15 15 LYS CB C 15 35.430 35.430 34.738 0.692 19007 5026 1 10 . 1 1 15 15 LYS H H 15 8.850 8.850 9.112 -0.262 19007 5027 1 10 . 1 1 16 16 GLY N N 16 112.120 112.120 113.328 -1.208 19007 5028 1 10 . 1 1 16 16 GLY C C 16 172.566 172.566 173.252 -0.686 19007 5029 1 10 . 1 1 16 16 GLY CA C 16 45.560 45.560 45.355 0.205 19007 5030 1 10 . 1 1 16 16 GLY H H 16 8.870 8.870 8.776 0.094 19007 5031 1 10 . 1 1 17 17 THR N N 17 114.520 114.520 115.281 -0.761 19007 5032 1 10 . 1 1 17 17 THR HA H 17 4.753 4.753 4.522 0.231 19007 5033 1 10 . 1 1 17 17 THR CA C 17 60.360 60.360 62.354 -1.994 19007 5034 1 10 . 1 1 17 17 THR CB C 17 72.040 72.040 70.039 2.001 19007 5035 1 10 . 1 1 17 17 THR H H 17 8.380 8.380 7.985 0.395 19007 5036 1 10 . 1 1 19 19 ASN HA H 19 4.778 4.778 5.210 -0.432 19007 5037 1 10 . 1 1 19 19 ASN C C 19 174.616 174.616 176.038 -1.422 19007 5038 1 10 . 1 1 19 19 ASN CA C 19 53.700 53.700 51.678 2.022 19007 5039 1 10 . 1 1 19 19 ASN CB C 19 39.018 39.018 41.466 -2.448 19007 5040 1 10 . 1 1 20 20 GLY N N 20 108.600 108.600 108.141 0.459 19007 5041 1 10 . 1 1 20 20 GLY C C 20 172.297 172.297 173.277 -0.980 19007 5042 1 10 . 1 1 20 20 GLY CA C 20 46.310 46.310 45.849 0.461 19007 5043 1 10 . 1 1 20 20 GLY H H 20 7.590 7.590 8.503 -0.913 19007 5044 1 10 . 1 1 21 21 LEU N N 21 123.210 123.210 121.388 1.822 19007 5045 1 10 . 1 1 21 21 LEU HA H 21 5.015 5.015 5.143 -0.128 19007 5046 1 10 . 1 1 21 21 LEU C C 21 176.202 176.202 174.973 1.229 19007 5047 1 10 . 1 1 21 21 LEU CA C 21 54.090 54.090 54.809 -0.719 19007 5048 1 10 . 1 1 21 21 LEU CB C 21 45.940 45.940 44.519 1.421 19007 5049 1 10 . 1 1 21 21 LEU H H 21 8.760 8.760 7.856 0.904 19007 5050 1 10 . 1 1 22 22 THR N N 22 120.430 120.430 124.289 -3.859 19007 5051 1 10 . 1 1 22 22 THR HA H 22 5.191 5.191 4.933 0.258 19007 5052 1 10 . 1 1 22 22 THR C C 22 172.852 172.852 173.349 -0.497 19007 5053 1 10 . 1 1 22 22 THR CA C 22 61.850 61.850 61.716 0.134 19007 5054 1 10 . 1 1 22 22 THR CB C 22 69.800 69.800 69.083 0.717 19007 5055 1 10 . 1 1 22 22 THR H H 22 9.150 9.150 9.123 0.027 19007 5056 1 10 . 1 1 23 23 LEU N N 23 127.110 127.110 122.707 4.403 19007 5057 1 10 . 1 1 23 23 LEU HA H 23 4.910 4.910 5.569 -0.659 19007 5058 1 10 . 1 1 23 23 LEU C C 23 174.200 174.200 174.441 -0.241 19007 5059 1 10 . 1 1 23 23 LEU CA C 23 52.770 52.770 53.193 -0.423 19007 5060 1 10 . 1 1 23 23 LEU CB C 23 44.220 44.220 46.080 -1.859 19007 5061 1 10 . 1 1 23 23 LEU H H 23 8.870 8.870 8.226 0.644 19007 5062 1 10 . 1 1 24 24 HIS N N 24 124.600 124.600 121.097 3.503 19007 5063 1 10 . 1 1 24 24 HIS HA H 24 4.875 4.875 5.803 -0.928 19007 5064 1 10 . 1 1 24 24 HIS C C 24 174.033 174.033 172.785 1.248 19007 5065 1 10 . 1 1 24 24 HIS CA C 24 56.000 56.000 54.853 1.147 19007 5066 1 10 . 1 1 24 24 HIS CB C 24 30.400 30.400 34.159 -3.759 19007 5067 1 10 . 1 1 24 24 HIS H H 24 9.160 9.160 9.010 0.150 19007 5068 1 10 . 1 1 25 25 LEU N N 25 125.950 125.950 127.990 -2.040 19007 5069 1 10 . 1 1 25 25 LEU HA H 25 4.382 4.382 4.955 -0.573 19007 5070 1 10 . 1 1 25 25 LEU C C 25 175.806 175.806 173.750 2.056 19007 5071 1 10 . 1 1 25 25 LEU CA C 25 53.250 53.250 53.541 -0.291 19007 5072 1 10 . 1 1 25 25 LEU CB C 25 41.030 41.030 46.149 -5.119 19007 5073 1 10 . 1 1 25 25 LEU H H 25 8.420 8.420 8.174 0.246 19007 5074 1 10 . 1 1 26 26 ASP N N 26 126.170 126.170 125.245 0.925 19007 5075 1 10 . 1 1 26 26 ASP HA H 26 4.344 4.344 5.153 -0.809 19007 5076 1 10 . 1 1 26 26 ASP C C 26 176.302 176.302 174.308 1.994 19007 5077 1 10 . 1 1 26 26 ASP CA C 26 56.480 56.480 53.360 3.120 19007 5078 1 10 . 1 1 26 26 ASP CB C 26 43.880 43.880 41.964 1.916 19007 5079 1 10 . 1 1 26 26 ASP H H 26 8.630 8.630 8.333 0.297 19007 5080 1 10 . 1 1 27 27 ASP N N 27 122.430 122.430 119.849 2.581 19007 5081 1 10 . 1 1 27 27 ASP HA H 27 4.540 4.540 4.779 -0.239 19007 5082 1 10 . 1 1 27 27 ASP C C 27 176.381 176.381 174.086 2.295 19007 5083 1 10 . 1 1 27 27 ASP CA C 27 54.060 54.060 53.120 0.940 19007 5084 1 10 . 1 1 27 27 ASP CB C 27 40.820 40.820 43.847 -3.027 19007 5085 1 10 . 1 1 27 27 ASP H H 27 8.150 8.150 7.665 0.485 19007 5086 1 10 . 1 1 28 28 ALA N N 28 123.520 123.520 125.269 -1.749 19007 5087 1 10 . 1 1 28 28 ALA HA H 28 4.600 4.600 4.816 -0.216 19007 5088 1 10 . 1 1 28 28 ALA C C 28 178.324 178.324 177.666 0.658 19007 5089 1 10 . 1 1 28 28 ALA CA C 28 52.860 52.860 51.479 1.381 19007 5090 1 10 . 1 1 28 28 ALA CB C 28 20.790 20.790 21.360 -0.570 19007 5091 1 10 . 1 1 28 28 ALA H H 28 8.480 8.480 8.320 0.160 19007 5092 1 10 . 1 1 29 29 CYS N N 29 115.580 115.580 117.825 -2.245 19007 5093 1 10 . 1 1 29 29 CYS HA H 29 4.680 4.680 4.071 0.609 19007 5094 1 10 . 1 1 29 29 CYS C C 29 174.696 174.696 174.547 0.149 19007 5095 1 10 . 1 1 29 29 CYS CA C 29 56.060 56.060 60.590 -4.530 19007 5096 1 10 . 1 1 29 29 CYS CB C 29 29.050 29.050 27.185 1.865 19007 5097 1 10 . 1 1 29 29 CYS H H 29 7.510 7.510 8.798 -1.288 19007 5098 1 10 . 1 1 30 30 SER N N 30 119.090 119.090 114.855 4.235 19007 5099 1 10 . 1 1 30 30 SER HA H 30 4.500 4.500 4.553 -0.053 19007 5100 1 10 . 1 1 30 30 SER CA C 30 58.370 58.370 58.712 -0.341 19007 5101 1 10 . 1 1 30 30 SER CB C 30 64.170 64.170 63.957 0.213 19007 5102 1 10 . 1 1 30 30 SER H H 30 9.170 9.170 7.508 1.662 19007 5103 1 10 . 1 1 31 31 PHE HA H 31 4.041 4.041 4.639 -0.598 19007 5104 1 10 . 1 1 31 31 PHE C C 31 176.440 176.440 175.290 1.150 19007 5105 1 10 . 1 1 31 31 PHE CA C 31 62.491 62.491 56.767 5.723 19007 5106 1 10 . 1 1 31 31 PHE CB C 31 39.018 39.018 41.422 -2.404 19007 5107 1 10 . 1 1 32 32 ASP N N 32 116.020 116.020 125.867 -9.847 19007 5108 1 10 . 1 1 32 32 ASP HA H 32 4.139 4.139 4.582 -0.443 19007 5109 1 10 . 1 1 32 32 ASP C C 32 178.978 178.978 176.181 2.797 19007 5110 1 10 . 1 1 32 32 ASP CA C 32 57.670 57.670 52.541 5.129 19007 5111 1 10 . 1 1 32 32 ASP CB C 32 40.290 40.290 39.171 1.119 19007 5112 1 10 . 1 1 32 32 ASP H H 32 8.370 8.370 8.108 0.262 19007 5113 1 10 . 1 1 33 33 GLU N N 33 120.170 120.170 120.222 -0.052 19007 5114 1 10 . 1 1 33 33 GLU HA H 33 4.149 4.149 3.929 0.220 19007 5115 1 10 . 1 1 33 33 GLU C C 33 179.256 179.256 177.139 2.117 19007 5116 1 10 . 1 1 33 33 GLU CA C 33 58.810 58.810 59.060 -0.251 19007 5117 1 10 . 1 1 33 33 GLU CB C 33 29.510 29.510 29.073 0.437 19007 5118 1 10 . 1 1 33 33 GLU H H 33 7.560 7.560 7.739 -0.179 19007 5119 1 10 . 1 1 34 34 LEU N N 34 121.930 121.930 118.892 3.038 19007 5120 1 10 . 1 1 34 34 LEU HA H 34 3.755 3.755 4.424 -0.669 19007 5121 1 10 . 1 1 34 34 LEU C C 34 178.205 178.205 178.374 -0.169 19007 5122 1 10 . 1 1 34 34 LEU CA C 34 57.910 57.910 54.965 2.945 19007 5123 1 10 . 1 1 34 34 LEU CB C 34 41.980 41.980 40.816 1.164 19007 5124 1 10 . 1 1 34 34 LEU H H 34 7.730 7.730 8.148 -0.418 19007 5125 1 10 . 1 1 35 35 LEU N N 35 118.190 118.190 121.951 -3.761 19007 5126 1 10 . 1 1 35 35 LEU HA H 35 3.575 3.575 4.133 -0.558 19007 5127 1 10 . 1 1 35 35 LEU C C 35 179.295 179.295 177.893 1.402 19007 5128 1 10 . 1 1 35 35 LEU CA C 35 57.990 57.990 57.722 0.268 19007 5129 1 10 . 1 1 35 35 LEU CB C 35 40.900 40.900 42.282 -1.382 19007 5130 1 10 . 1 1 35 35 LEU H H 35 7.880 7.880 7.569 0.311 19007 5131 1 10 . 1 1 36 36 ASP N N 36 118.760 118.760 119.018 -0.258 19007 5132 1 10 . 1 1 36 36 ASP HA H 36 4.308 4.308 4.257 0.051 19007 5133 1 10 . 1 1 36 36 ASP C C 36 178.819 178.819 178.238 0.581 19007 5134 1 10 . 1 1 36 36 ASP CA C 36 57.570 57.570 57.575 -0.005 19007 5135 1 10 . 1 1 36 36 ASP CB C 36 41.500 41.500 40.303 1.198 19007 5136 1 10 . 1 1 36 36 ASP H H 36 7.580 7.580 8.378 -0.798 19007 5137 1 10 . 1 1 37 37 GLY N N 37 107.520 107.520 108.817 -1.297 19007 5138 1 10 . 1 1 37 37 GLY C C 37 176.678 176.678 176.608 0.070 19007 5139 1 10 . 1 1 37 37 GLY CA C 37 47.340 47.340 47.256 0.084 19007 5140 1 10 . 1 1 37 37 GLY H H 37 8.210 8.210 7.685 0.525 19007 5141 1 10 . 1 1 38 38 LEU N N 38 123.680 123.680 123.175 0.505 19007 5142 1 10 . 1 1 38 38 LEU HA H 38 4.007 4.007 4.190 -0.183 19007 5143 1 10 . 1 1 38 38 LEU C C 38 177.769 177.769 178.857 -1.088 19007 5144 1 10 . 1 1 38 38 LEU CA C 38 57.970 57.970 56.926 1.044 19007 5145 1 10 . 1 1 38 38 LEU CB C 38 42.250 42.250 40.919 1.331 19007 5146 1 10 . 1 1 38 38 LEU H H 38 8.800 8.800 7.394 1.406 19007 5147 1 10 . 1 1 39 39 GLN N N 39 118.840 118.840 120.105 -1.265 19007 5148 1 10 . 1 1 39 39 GLN HA H 39 3.887 3.887 3.891 -0.004 19007 5149 1 10 . 1 1 39 39 GLN C C 39 178.443 178.443 178.367 0.076 19007 5150 1 10 . 1 1 39 39 GLN CA C 39 59.450 59.450 59.462 -0.012 19007 5151 1 10 . 1 1 39 39 GLN CB C 39 28.400 28.400 28.395 0.005 19007 5152 1 10 . 1 1 39 39 GLN H H 39 8.460 8.460 8.677 -0.217 19007 5153 1 10 . 1 1 40 40 ASN N N 40 116.110 116.110 118.195 -2.085 19007 5154 1 10 . 1 1 40 40 ASN HA H 40 4.488 4.488 4.466 0.022 19007 5155 1 10 . 1 1 40 40 ASN C C 40 177.491 177.491 178.043 -0.552 19007 5156 1 10 . 1 1 40 40 ASN CA C 40 56.330 56.330 56.047 0.283 19007 5157 1 10 . 1 1 40 40 ASN CB C 40 39.230 39.230 38.698 0.532 19007 5158 1 10 . 1 1 40 40 ASN H H 40 7.810 7.810 8.206 -0.396 19007 5159 1 10 . 1 1 41 41 MET N N 41 119.840 119.840 119.696 0.144 19007 5160 1 10 . 1 1 41 41 MET HA H 41 4.344 4.344 4.194 0.150 19007 5161 1 10 . 1 1 41 41 MET C C 41 177.551 177.551 178.585 -1.034 19007 5162 1 10 . 1 1 41 41 MET CA C 41 58.140 58.140 57.803 0.337 19007 5163 1 10 . 1 1 41 41 MET CB C 41 32.600 32.600 32.074 0.526 19007 5164 1 10 . 1 1 41 41 MET H H 41 8.060 8.060 7.933 0.127 19007 5165 1 10 . 1 1 42 42 LEU N N 42 116.680 116.680 118.556 -1.876 19007 5166 1 10 . 1 1 42 42 LEU HA H 42 4.236 4.236 3.943 0.293 19007 5167 1 10 . 1 1 42 42 LEU C C 42 177.055 177.055 179.438 -2.383 19007 5168 1 10 . 1 1 42 42 LEU CA C 42 55.850 55.850 58.174 -2.324 19007 5169 1 10 . 1 1 42 42 LEU CB C 42 41.490 41.490 41.096 0.394 19007 5170 1 10 . 1 1 42 42 LEU H H 42 8.280 8.280 8.615 -0.335 19007 5171 1 10 . 1 1 43 43 SER N N 43 113.420 113.420 113.783 -0.363 19007 5172 1 10 . 1 1 43 43 SER HA H 43 4.452 4.452 4.140 0.312 19007 5173 1 10 . 1 1 43 43 SER C C 43 174.755 174.755 175.737 -0.982 19007 5174 1 10 . 1 1 43 43 SER CA C 43 59.340 59.340 61.219 -1.879 19007 5175 1 10 . 1 1 43 43 SER CB C 43 63.580 63.580 62.952 0.628 19007 5176 1 10 . 1 1 43 43 SER H H 43 7.650 7.650 7.830 -0.180 19007 5177 1 10 . 1 1 44 44 ILE N N 44 120.390 120.390 118.277 2.113 19007 5178 1 10 . 1 1 44 44 ILE HA H 44 4.188 4.188 4.084 0.104 19007 5179 1 10 . 1 1 44 44 ILE C C 44 176.440 176.440 176.854 -0.414 19007 5180 1 10 . 1 1 44 44 ILE CA C 44 61.500 61.500 62.244 -0.744 19007 5181 1 10 . 1 1 44 44 ILE CB C 44 38.640 38.640 38.679 -0.039 19007 5182 1 10 . 1 1 44 44 ILE H H 44 7.590 7.590 7.358 0.232 19007 5183 1 10 . 1 1 45 45 GLU N N 45 118.850 118.850 120.167 -1.317 19007 5184 1 10 . 1 1 45 45 GLU HA H 45 4.272 4.272 4.207 0.065 19007 5185 1 10 . 1 1 45 45 GLU C C 45 176.698 176.698 176.803 -0.105 19007 5186 1 10 . 1 1 45 45 GLU CA C 45 61.950 61.950 58.453 3.497 19007 5187 1 10 . 1 1 45 45 GLU CB C 45 29.840 29.840 31.120 -1.280 19007 5188 1 10 . 1 1 45 45 GLU H H 45 8.200 8.200 8.123 0.077 19007 5189 1 10 . 1 1 46 46 GLN N N 46 118.260 118.260 118.591 -0.331 19007 5190 1 10 . 1 1 46 46 GLN HA H 46 4.212 4.212 4.557 -0.345 19007 5191 1 10 . 1 1 46 46 GLN C C 46 176.361 176.361 173.878 2.483 19007 5192 1 10 . 1 1 46 46 GLN CA C 46 56.770 56.770 55.690 1.080 19007 5193 1 10 . 1 1 46 46 GLN CB C 46 28.920 28.920 30.112 -1.192 19007 5194 1 10 . 1 1 46 46 GLN H H 46 8.270 8.270 7.903 0.367 19007 5195 1 10 . 1 1 47 47 TYR N N 47 117.690 117.690 119.897 -2.207 19007 5196 1 10 . 1 1 47 47 TYR HA H 47 4.701 4.701 4.927 -0.226 19007 5197 1 10 . 1 1 47 47 TYR C C 47 175.588 175.588 174.687 0.901 19007 5198 1 10 . 1 1 47 47 TYR CA C 47 58.290 58.290 56.302 1.988 19007 5199 1 10 . 1 1 47 47 TYR CB C 47 39.250 39.250 38.803 0.447 19007 5200 1 10 . 1 1 47 47 TYR H H 47 7.980 7.980 8.198 -0.218 19007 5201 1 10 . 1 1 48 48 THR N N 48 108.930 108.930 117.477 -8.547 19007 5202 1 10 . 1 1 48 48 THR HA H 48 4.464 4.464 4.091 0.373 19007 5203 1 10 . 1 1 48 48 THR C C 48 176.381 176.381 174.237 2.144 19007 5204 1 10 . 1 1 48 48 THR CA C 48 61.150 61.150 61.663 -0.513 19007 5205 1 10 . 1 1 48 48 THR CB C 48 70.190 70.190 68.232 1.958 19007 5206 1 10 . 1 1 48 48 THR H H 48 7.570 7.570 7.441 0.129 19007 5207 1 10 . 1 1 49 49 ASP N N 49 121.350 121.350 125.655 -4.305 19007 5208 1 10 . 1 1 49 49 ASP HA H 49 4.752 4.752 4.581 0.171 19007 5209 1 10 . 1 1 49 49 ASP C C 49 177.015 177.015 176.989 0.026 19007 5210 1 10 . 1 1 49 49 ASP CA C 49 53.710 53.710 55.638 -1.928 19007 5211 1 10 . 1 1 49 49 ASP CB C 49 41.200 41.200 42.273 -1.073 19007 5212 1 10 . 1 1 49 49 ASP H H 49 8.100 8.100 7.963 0.137 19007 5213 1 10 . 1 1 50 50 GLY N N 50 112.360 112.360 107.464 4.896 19007 5214 1 10 . 1 1 50 50 GLY C C 50 175.449 175.449 175.554 -0.105 19007 5215 1 10 . 1 1 50 50 GLY CA C 50 46.000 46.000 45.324 0.676 19007 5216 1 10 . 1 1 50 50 GLY H H 50 9.080 9.080 7.907 1.173 19007 5217 1 10 . 1 1 51 51 LYS N N 51 119.510 119.510 121.666 -2.156 19007 5218 1 10 . 1 1 51 51 LYS HA H 51 4.200 4.200 4.517 -0.317 19007 5219 1 10 . 1 1 51 51 LYS C C 51 177.214 177.214 177.191 0.023 19007 5220 1 10 . 1 1 51 51 LYS CA C 51 56.540 56.540 56.381 0.159 19007 5221 1 10 . 1 1 51 51 LYS CB C 51 31.420 31.420 34.336 -2.916 19007 5222 1 10 . 1 1 51 51 LYS H H 51 8.590 8.590 8.795 -0.205 19007 5223 1 10 . 1 1 52 52 GLY N N 52 108.180 108.180 109.958 -1.778 19007 5224 1 10 . 1 1 52 52 GLY C C 52 174.279 174.279 172.766 1.513 19007 5225 1 10 . 1 1 52 52 GLY CA C 52 45.450 45.450 45.326 0.124 19007 5226 1 10 . 1 1 52 52 GLY H H 52 8.670 8.670 8.483 0.187 19007 5227 1 10 . 1 1 53 53 GLN N N 53 120.010 120.010 121.163 -1.153 19007 5228 1 10 . 1 1 53 53 GLN HA H 53 4.440 4.440 4.232 0.208 19007 5229 1 10 . 1 1 53 53 GLN C C 53 175.001 175.001 175.327 -0.326 19007 5230 1 10 . 1 1 53 53 GLN CA C 53 54.580 54.580 55.476 -0.896 19007 5231 1 10 . 1 1 53 53 GLN CB C 53 30.330 30.330 29.670 0.660 19007 5232 1 10 . 1 1 53 53 GLN H H 53 7.860 7.860 8.343 -0.483 19007 5233 1 10 . 1 1 54 54 LYS N N 54 120.420 120.420 127.250 -6.830 19007 5234 1 10 . 1 1 54 54 LYS HA H 54 4.704 4.704 4.647 0.057 19007 5235 1 10 . 1 1 54 54 LYS C C 54 176.753 176.753 175.470 1.283 19007 5236 1 10 . 1 1 54 54 LYS CA C 54 55.830 55.830 55.581 0.249 19007 5237 1 10 . 1 1 54 54 LYS CB C 54 33.850 33.850 32.795 1.055 19007 5238 1 10 . 1 1 54 54 LYS H H 54 8.250 8.250 8.631 -0.381 19007 5239 1 10 . 1 1 55 55 ILE N N 55 125.360 125.360 129.316 -3.956 19007 5240 1 10 . 1 1 55 55 ILE HA H 55 4.169 4.169 4.706 -0.537 19007 5241 1 10 . 1 1 55 55 ILE C C 55 174.405 174.405 175.033 -0.628 19007 5242 1 10 . 1 1 55 55 ILE CA C 55 60.350 60.350 60.522 -0.172 19007 5243 1 10 . 1 1 55 55 ILE CB C 55 39.690 39.690 37.291 2.399 19007 5244 1 10 . 1 1 55 55 ILE H H 55 9.050 9.050 8.690 0.360 19007 5245 1 10 . 1 1 56 56 SER N N 56 121.850 121.850 122.472 -0.622 19007 5246 1 10 . 1 1 56 56 SER HA H 56 4.480 4.480 5.183 -0.703 19007 5247 1 10 . 1 1 56 56 SER C C 56 174.105 174.105 173.446 0.659 19007 5248 1 10 . 1 1 56 56 SER CA C 56 57.410 57.410 56.203 1.207 19007 5249 1 10 . 1 1 56 56 SER CB C 56 64.080 64.080 63.441 0.639 19007 5250 1 10 . 1 1 56 56 SER H H 56 8.330 8.330 8.125 0.205 19007 5251 1 10 . 1 1 57 57 VAL N N 57 123.190 123.190 127.568 -4.378 19007 5252 1 10 . 1 1 57 57 VAL HA H 57 4.861 4.861 4.074 0.787 19007 5253 1 10 . 1 1 57 57 VAL C C 57 174.869 174.869 174.914 -0.045 19007 5254 1 10 . 1 1 57 57 VAL CA C 57 61.130 61.130 62.218 -1.088 19007 5255 1 10 . 1 1 57 57 VAL CB C 57 33.600 33.600 31.125 2.475 19007 5256 1 10 . 1 1 57 57 VAL H H 57 8.680 8.680 8.246 0.434 19007 5257 1 10 . 1 1 58 58 HIS N N 58 129.590 129.590 127.673 1.917 19007 5258 1 10 . 1 1 58 58 HIS HA H 58 5.076 5.076 5.051 0.025 19007 5259 1 10 . 1 1 58 58 HIS C C 58 174.351 174.351 175.298 -0.947 19007 5260 1 10 . 1 1 58 58 HIS CA C 58 54.420 54.420 54.059 0.361 19007 5261 1 10 . 1 1 58 58 HIS CB C 58 31.720 31.720 29.527 2.193 19007 5262 1 10 . 1 1 58 58 HIS H H 58 9.050 9.050 8.941 0.109 19007 5263 1 10 . 1 1 59 59 VAL N N 59 125.260 125.260 121.340 3.920 19007 5264 1 10 . 1 1 59 59 VAL HA H 59 4.408 4.408 4.475 -0.067 19007 5265 1 10 . 1 1 59 59 VAL C C 59 174.460 174.460 175.271 -0.811 19007 5266 1 10 . 1 1 59 59 VAL CA C 59 62.370 62.370 60.807 1.563 19007 5267 1 10 . 1 1 59 59 VAL CB C 59 32.760 32.760 30.523 2.237 19007 5268 1 10 . 1 1 59 59 VAL H H 59 8.800 8.800 8.585 0.215 19007 5269 1 10 . 1 1 60 60 LYS N N 60 128.520 128.520 127.430 1.090 19007 5270 1 10 . 1 1 60 60 LYS HA H 60 4.909 4.909 4.339 0.570 19007 5271 1 10 . 1 1 60 60 LYS C C 60 175.825 175.825 176.000 -0.175 19007 5272 1 10 . 1 1 60 60 LYS CA C 60 54.450 54.450 56.026 -1.576 19007 5273 1 10 . 1 1 60 60 LYS CB C 60 32.490 32.490 30.993 1.497 19007 5274 1 10 . 1 1 60 60 LYS H H 60 9.040 9.040 8.122 0.918 19007 5275 1 10 . 1 1 61 61 LEU N N 61 121.430 121.430 120.879 0.551 19007 5276 1 10 . 1 1 61 61 LEU HA H 61 4.527 4.527 4.687 -0.160 19007 5277 1 10 . 1 1 61 61 LEU C C 61 178.910 178.910 178.176 0.734 19007 5278 1 10 . 1 1 61 61 LEU CA C 61 54.410 54.410 56.570 -2.160 19007 5279 1 10 . 1 1 61 61 LEU CB C 61 44.330 44.330 42.755 1.575 19007 5280 1 10 . 1 1 61 61 LEU H H 61 8.700 8.700 8.235 0.465 19007 5281 1 10 . 1 1 62 62 GLY N N 62 110.520 110.520 102.675 7.845 19007 5282 1 10 . 1 1 62 62 GLY C C 62 175.350 175.350 174.203 1.147 19007 5283 1 10 . 1 1 62 62 GLY CA C 62 46.710 46.710 44.823 1.887 19007 5284 1 10 . 1 1 62 62 GLY H H 62 9.060 9.060 8.127 0.933 19007 5285 1 10 . 1 1 63 63 ASN N N 63 127.090 127.090 122.310 4.780 19007 5286 1 10 . 1 1 63 63 ASN HA H 63 4.778 4.778 4.666 0.112 19007 5287 1 10 . 1 1 63 63 ASN C C 63 174.214 174.214 176.099 -1.885 19007 5288 1 10 . 1 1 63 63 ASN CA C 63 52.910 52.910 53.301 -0.391 19007 5289 1 10 . 1 1 63 63 ASN CB C 63 38.100 38.100 37.728 0.371 19007 5290 1 10 . 1 1 63 63 ASN H H 63 10.390 10.390 8.801 1.589 19007 5291 1 10 . 1 1 64 64 ARG N N 64 121.850 121.850 121.228 0.622 19007 5292 1 10 . 1 1 64 64 ARG HA H 64 4.265 4.265 4.246 0.019 19007 5293 1 10 . 1 1 64 64 ARG C C 64 174.214 174.214 177.029 -2.815 19007 5294 1 10 . 1 1 64 64 ARG CA C 64 56.330 56.330 56.787 -0.457 19007 5295 1 10 . 1 1 64 64 ARG CB C 64 33.860 33.860 30.386 3.474 19007 5296 1 10 . 1 1 64 64 ARG H H 64 7.520 7.520 7.817 -0.297 19007 5297 1 10 . 1 1 65 65 PHE N N 65 127.760 127.760 118.318 9.442 19007 5298 1 10 . 1 1 65 65 PHE HA H 65 4.503 4.503 4.173 0.330 19007 5299 1 10 . 1 1 65 65 PHE C C 65 176.508 176.508 174.508 2.000 19007 5300 1 10 . 1 1 65 65 PHE CA C 65 56.760 56.760 58.292 -1.532 19007 5301 1 10 . 1 1 65 65 PHE CB C 65 40.430 40.430 37.607 2.823 19007 5302 1 10 . 1 1 65 65 PHE H H 65 8.580 8.580 7.723 0.857 19007 5303 1 10 . 1 1 66 66 LEU N N 66 125.260 125.260 123.642 1.618 19007 5304 1 10 . 1 1 66 66 LEU HA H 66 4.288 4.288 4.468 -0.180 19007 5305 1 10 . 1 1 66 66 LEU C C 66 176.508 176.508 177.165 -0.657 19007 5306 1 10 . 1 1 66 66 LEU CA C 66 53.080 53.080 54.500 -1.420 19007 5307 1 10 . 1 1 66 66 LEU CB C 66 43.170 43.170 43.052 0.118 19007 5308 1 10 . 1 1 66 66 LEU H H 66 8.040 8.040 7.935 0.105 19007 5309 1 10 . 1 1 67 67 TYR N N 67 120.480 120.480 124.053 -3.573 19007 5310 1 10 . 1 1 67 67 TYR HA H 67 4.515 4.515 4.353 0.162 19007 5311 1 10 . 1 1 67 67 TYR C C 67 177.791 177.791 176.600 1.191 19007 5312 1 10 . 1 1 67 67 TYR CA C 67 58.120 58.120 58.182 -0.062 19007 5313 1 10 . 1 1 67 67 TYR CB C 67 39.320 39.320 36.855 2.465 19007 5314 1 10 . 1 1 67 67 TYR H H 67 7.880 7.880 8.919 -1.039 19007 5315 1 10 . 1 1 68 68 LYS N N 68 125.020 125.020 124.439 0.581 19007 5316 1 10 . 1 1 68 68 LYS HA H 68 4.034 4.034 3.843 0.191 19007 5317 1 10 . 1 1 68 68 LYS C C 68 178.364 178.364 178.006 0.358 19007 5318 1 10 . 1 1 68 68 LYS CA C 68 60.130 60.130 59.633 0.497 19007 5319 1 10 . 1 1 68 68 LYS CB C 68 32.150 32.150 32.247 -0.097 19007 5320 1 10 . 1 1 68 68 LYS H H 68 9.120 9.120 7.772 1.348 19007 5321 1 10 . 1 1 69 69 GLU N N 69 116.430 116.430 117.749 -1.319 19007 5322 1 10 . 1 1 69 69 GLU HA H 69 4.133 4.133 4.074 0.058 19007 5323 1 10 . 1 1 69 69 GLU C C 69 179.538 179.538 179.331 0.207 19007 5324 1 10 . 1 1 69 69 GLU CA C 69 60.030 60.030 59.482 0.548 19007 5325 1 10 . 1 1 69 69 GLU CB C 69 28.560 28.560 28.664 -0.104 19007 5326 1 10 . 1 1 69 69 GLU H H 69 9.460 9.460 8.660 0.800 19007 5327 1 10 . 1 1 70 70 GLN N N 70 117.670 117.670 117.920 -0.250 19007 5328 1 10 . 1 1 70 70 GLN HA H 70 4.120 4.120 4.181 -0.061 19007 5329 1 10 . 1 1 70 70 GLN C C 70 177.955 177.955 178.495 -0.540 19007 5330 1 10 . 1 1 70 70 GLN CA C 70 57.950 57.950 58.681 -0.731 19007 5331 1 10 . 1 1 70 70 GLN CB C 70 29.290 29.290 28.489 0.801 19007 5332 1 10 . 1 1 70 70 GLN H H 70 7.000 7.000 7.883 -0.883 19007 5333 1 10 . 1 1 71 71 GLU N N 71 120.850 120.850 118.134 2.716 19007 5334 1 10 . 1 1 71 71 GLU HA H 71 3.668 3.668 4.166 -0.498 19007 5335 1 10 . 1 1 71 71 GLU C C 71 179.429 179.429 178.893 0.536 19007 5336 1 10 . 1 1 71 71 GLU CA C 71 60.620 60.620 58.564 2.056 19007 5337 1 10 . 1 1 71 71 GLU CB C 71 29.660 29.660 28.811 0.849 19007 5338 1 10 . 1 1 71 71 GLU H H 71 8.080 8.080 7.723 0.357 19007 5339 1 10 . 1 1 72 72 GLU N N 72 119.670 119.670 121.449 -1.779 19007 5340 1 10 . 1 1 72 72 GLU HA H 72 4.038 4.038 3.972 0.066 19007 5341 1 10 . 1 1 72 72 GLU C C 72 178.446 178.446 178.341 0.105 19007 5342 1 10 . 1 1 72 72 GLU CA C 72 59.690 59.690 59.797 -0.107 19007 5343 1 10 . 1 1 72 72 GLU CB C 72 29.350 29.350 29.334 0.016 19007 5344 1 10 . 1 1 72 72 GLU H H 72 8.390 8.390 8.541 -0.151 19007 5345 1 10 . 1 1 73 73 GLN N N 73 119.030 119.030 117.729 1.301 19007 5346 1 10 . 1 1 73 73 GLN HA H 73 4.110 4.110 4.045 0.065 19007 5347 1 10 . 1 1 73 73 GLN C C 73 179.320 179.320 178.320 1.000 19007 5348 1 10 . 1 1 73 73 GLN CA C 73 59.470 59.470 58.596 0.874 19007 5349 1 10 . 1 1 73 73 GLN CB C 73 29.480 29.480 28.443 1.037 19007 5350 1 10 . 1 1 73 73 GLN H H 73 7.730 7.730 7.970 -0.240 19007 5351 1 10 . 1 1 74 74 LEU N N 74 119.760 119.760 115.819 3.941 19007 5352 1 10 . 1 1 74 74 LEU HA H 74 3.918 3.918 4.415 -0.497 19007 5353 1 10 . 1 1 74 74 LEU C C 74 177.818 177.818 178.590 -0.772 19007 5354 1 10 . 1 1 74 74 LEU CA C 74 58.720 58.720 57.277 1.443 19007 5355 1 10 . 1 1 74 74 LEU CB C 74 42.890 42.890 41.554 1.335 19007 5356 1 10 . 1 1 74 74 LEU H H 74 8.290 8.290 7.273 1.017 19007 5357 1 10 . 1 1 75 75 THR N N 75 113.520 113.520 116.627 -3.107 19007 5358 1 10 . 1 1 75 75 THR HA H 75 3.680 3.680 3.948 -0.268 19007 5359 1 10 . 1 1 75 75 THR C C 75 176.480 176.480 176.459 0.021 19007 5360 1 10 . 1 1 75 75 THR CA C 75 66.990 66.990 67.524 -0.534 19007 5361 1 10 . 1 1 75 75 THR CB C 75 68.640 68.640 68.291 0.349 19007 5362 1 10 . 1 1 75 75 THR H H 75 8.450 8.450 8.036 0.414 19007 5363 1 10 . 1 1 76 76 GLU N N 76 121.340 121.340 120.712 0.628 19007 5364 1 10 . 1 1 76 76 GLU HA H 76 4.014 4.014 3.978 0.036 19007 5365 1 10 . 1 1 76 76 GLU C C 76 178.965 178.965 178.403 0.562 19007 5366 1 10 . 1 1 76 76 GLU CA C 76 59.190 59.190 59.393 -0.203 19007 5367 1 10 . 1 1 76 76 GLU CB C 76 29.590 29.590 29.139 0.451 19007 5368 1 10 . 1 1 76 76 GLU H H 76 8.330 8.330 8.271 0.059 19007 5369 1 10 . 1 1 77 77 LEU N N 77 120.170 120.170 118.669 1.501 19007 5370 1 10 . 1 1 77 77 LEU HA H 77 3.955 3.955 4.076 -0.121 19007 5371 1 10 . 1 1 77 77 LEU C C 77 180.057 180.057 179.622 0.435 19007 5372 1 10 . 1 1 77 77 LEU CA C 77 58.510 58.510 58.111 0.399 19007 5373 1 10 . 1 1 77 77 LEU CB C 77 42.716 42.716 41.884 0.832 19007 5374 1 10 . 1 1 77 77 LEU H H 77 7.560 7.560 7.344 0.216 19007 5375 1 10 . 1 1 78 78 ILE N N 78 119.930 119.930 118.307 1.623 19007 5376 1 10 . 1 1 78 78 ILE HA H 78 3.429 3.429 3.754 -0.325 19007 5377 1 10 . 1 1 78 78 ILE C C 78 176.043 176.043 177.442 -1.399 19007 5378 1 10 . 1 1 78 78 ILE CA C 78 65.740 65.740 63.846 1.894 19007 5379 1 10 . 1 1 78 78 ILE CB C 78 37.960 37.960 37.512 0.448 19007 5380 1 10 . 1 1 78 78 ILE H H 78 7.740 7.740 7.306 0.434 19007 5381 1 10 . 1 1 79 79 ALA N N 79 116.940 116.940 122.467 -5.527 19007 5382 1 10 . 1 1 79 79 ALA HA H 79 4.229 4.229 4.035 0.194 19007 5383 1 10 . 1 1 79 79 ALA C C 79 178.719 178.719 179.620 -0.901 19007 5384 1 10 . 1 1 79 79 ALA CA C 79 53.390 53.390 54.860 -1.470 19007 5385 1 10 . 1 1 79 79 ALA CB C 79 18.500 18.500 17.586 0.914 19007 5386 1 10 . 1 1 79 79 ALA H H 79 8.210 8.210 8.328 -0.118 19007 5387 1 10 . 1 1 80 80 SER N N 80 113.260 113.260 114.120 -0.860 19007 5388 1 10 . 1 1 80 80 SER HA H 80 4.253 4.253 4.276 -0.023 19007 5389 1 10 . 1 1 80 80 SER C C 80 174.869 174.869 175.119 -0.250 19007 5390 1 10 . 1 1 80 80 SER CA C 80 60.550 60.550 60.416 0.134 19007 5391 1 10 . 1 1 80 80 SER CB C 80 63.130 63.130 63.558 -0.428 19007 5392 1 10 . 1 1 80 80 SER H H 80 7.600 7.600 7.931 -0.331 19007 5393 1 10 . 1 1 81 81 LYS N N 81 123.510 123.510 118.184 5.326 19007 5394 1 10 . 1 1 81 81 LYS HA H 81 4.527 4.527 4.662 -0.135 19007 5395 1 10 . 1 1 81 81 LYS C C 81 176.289 176.289 175.103 1.186 19007 5396 1 10 . 1 1 81 81 LYS CA C 81 54.000 54.000 55.372 -1.372 19007 5397 1 10 . 1 1 81 81 LYS CB C 81 30.440 30.440 32.739 -2.299 19007 5398 1 10 . 1 1 81 81 LYS H H 81 7.690 7.690 7.751 -0.061 19007 5399 1 10 . 1 1 82 82 LYS N N 82 120.760 120.760 121.241 -0.481 19007 5400 1 10 . 1 1 82 82 LYS HA H 82 4.539 4.539 4.281 0.258 19007 5401 1 10 . 1 1 82 82 LYS C C 82 176.835 176.835 175.846 0.989 19007 5402 1 10 . 1 1 82 82 LYS CA C 82 59.090 59.090 56.602 2.488 19007 5403 1 10 . 1 1 82 82 LYS CB C 82 32.330 32.330 30.531 1.799 19007 5404 1 10 . 1 1 82 82 LYS H H 82 8.190 8.190 8.062 0.128 19007 5405 1 10 . 1 1 83 83 ASP N N 83 117.280 117.280 121.081 -3.801 19007 5406 1 10 . 1 1 83 83 ASP HA H 83 4.659 4.659 4.512 0.147 19007 5407 1 10 . 1 1 83 83 ASP C C 83 174.460 174.460 176.511 -2.051 19007 5408 1 10 . 1 1 83 83 ASP CA C 83 55.390 55.390 55.260 0.130 19007 5409 1 10 . 1 1 83 83 ASP CB C 83 40.680 40.680 41.383 -0.703 19007 5410 1 10 . 1 1 83 83 ASP H H 83 8.670 8.670 8.186 0.484 19007 5411 1 10 . 1 1 84 84 LEU N N 84 117.780 117.780 118.832 -1.052 19007 5412 1 10 . 1 1 84 84 LEU HA H 84 5.100 5.100 4.067 1.033 19007 5413 1 10 . 1 1 84 84 LEU C C 84 176.753 176.753 177.731 -0.978 19007 5414 1 10 . 1 1 84 84 LEU CA C 84 54.560 54.560 54.103 0.457 19007 5415 1 10 . 1 1 84 84 LEU CB C 84 43.690 43.690 41.725 1.965 19007 5416 1 10 . 1 1 84 84 LEU H H 84 7.640 7.640 7.805 -0.165 19007 5417 1 10 . 1 1 85 85 PHE N N 85 117.610 117.610 120.318 -2.708 19007 5418 1 10 . 1 1 85 85 PHE HA H 85 4.754 4.754 4.563 0.191 19007 5419 1 10 . 1 1 85 85 PHE C C 85 173.204 173.204 174.847 -1.643 19007 5420 1 10 . 1 1 85 85 PHE CA C 85 56.400 56.400 57.736 -1.336 19007 5421 1 10 . 1 1 85 85 PHE CB C 85 42.000 42.000 37.458 4.542 19007 5422 1 10 . 1 1 85 85 PHE H H 85 8.280 8.280 8.256 0.024 19007 5423 1 10 . 1 1 86 86 VAL N N 86 123.600 123.600 122.355 1.245 19007 5424 1 10 . 1 1 86 86 VAL HA H 86 3.882 3.882 4.752 -0.870 19007 5425 1 10 . 1 1 86 86 VAL C C 86 174.651 174.651 175.299 -0.648 19007 5426 1 10 . 1 1 86 86 VAL CA C 86 63.640 63.640 60.892 2.748 19007 5427 1 10 . 1 1 86 86 VAL CB C 86 31.440 31.440 33.099 -1.659 19007 5428 1 10 . 1 1 86 86 VAL H H 86 8.880 8.880 7.872 1.008 19007 5429 1 10 . 1 1 87 87 HIS N N 87 130.690 130.690 128.497 2.193 19007 5430 1 10 . 1 1 87 87 HIS HA H 87 4.420 4.420 4.880 -0.460 19007 5431 1 10 . 1 1 87 87 HIS C C 87 175.497 175.497 173.701 1.796 19007 5432 1 10 . 1 1 87 87 HIS CA C 87 58.090 58.090 55.859 2.231 19007 5433 1 10 . 1 1 87 87 HIS CB C 87 32.870 32.870 32.617 0.253 19007 5434 1 10 . 1 1 87 87 HIS H H 87 9.320 9.320 9.140 0.180 19007 5435 1 10 . 1 1 88 88 SER N N 88 109.280 109.280 121.923 -12.643 19007 5436 1 10 . 1 1 88 88 SER HA H 88 4.503 4.503 5.348 -0.845 19007 5437 1 10 . 1 1 88 88 SER C C 88 172.248 172.248 173.112 -0.864 19007 5438 1 10 . 1 1 88 88 SER CA C 88 57.560 57.560 57.447 0.113 19007 5439 1 10 . 1 1 88 88 SER CB C 88 64.890 64.890 64.904 -0.014 19007 5440 1 10 . 1 1 88 88 SER H H 88 7.370 7.370 8.574 -1.204 19007 5441 1 10 . 1 1 89 89 ILE N N 89 122.260 122.260 125.192 -2.932 19007 5442 1 10 . 1 1 89 89 ILE HA H 89 4.265 4.265 4.541 -0.276 19007 5443 1 10 . 1 1 89 89 ILE C C 89 174.569 174.569 173.193 1.376 19007 5444 1 10 . 1 1 89 89 ILE CA C 89 61.110 61.110 60.286 0.824 19007 5445 1 10 . 1 1 89 89 ILE CB C 89 39.960 39.960 41.096 -1.136 19007 5446 1 10 . 1 1 89 89 ILE H H 89 8.400 8.400 9.203 -0.803 19007 5447 1 10 . 1 1 90 90 ASP N N 90 126.690 126.690 126.923 -0.233 19007 5448 1 10 . 1 1 90 90 ASP HA H 90 5.064 5.064 5.330 -0.266 19007 5449 1 10 . 1 1 90 90 ASP C C 90 174.469 174.469 175.286 -0.817 19007 5450 1 10 . 1 1 90 90 ASP CA C 90 53.600 53.600 52.468 1.132 19007 5451 1 10 . 1 1 90 90 ASP CB C 90 44.230 44.230 42.533 1.697 19007 5452 1 10 . 1 1 90 90 ASP H H 90 8.800 8.800 8.510 0.290 19007 5453 1 10 . 1 1 91 91 SER N N 91 116.760 116.760 113.710 3.050 19007 5454 1 10 . 1 1 91 91 SER HA H 91 4.781 4.781 4.688 0.093 19007 5455 1 10 . 1 1 91 91 SER C C 91 173.164 173.164 174.492 -1.328 19007 5456 1 10 . 1 1 91 91 SER CA C 91 57.430 57.430 57.049 0.381 19007 5457 1 10 . 1 1 91 91 SER CB C 91 65.250 65.250 63.907 1.343 19007 5458 1 10 . 1 1 91 91 SER H H 91 8.500 8.500 8.382 0.118 19007 5459 1 10 . 1 1 92 92 GLU N N 92 123.420 123.420 120.538 2.882 19007 5460 1 10 . 1 1 92 92 GLU HA H 92 4.355 4.355 4.293 0.062 19007 5461 1 10 . 1 1 92 92 GLU C C 92 176.419 176.419 176.260 0.159 19007 5462 1 10 . 1 1 92 92 GLU CA C 92 56.250 56.250 56.718 -0.468 19007 5463 1 10 . 1 1 92 92 GLU CB C 92 30.730 30.730 30.104 0.626 19007 5464 1 10 . 1 1 92 92 GLU H H 92 8.620 8.620 8.289 0.331 19007 5465 1 10 . 1 1 93 93 VAL N N 93 122.090 122.090 120.782 1.308 19007 5466 1 10 . 1 1 93 93 VAL HA H 93 4.105 4.105 4.147 -0.042 19007 5467 1 10 . 1 1 93 93 VAL CA C 93 62.240 62.240 63.056 -0.816 19007 5468 1 10 . 1 1 93 93 VAL CB C 93 32.860 32.860 32.414 0.446 19007 5469 1 10 . 1 1 93 93 VAL H H 93 8.220 8.220 8.595 -0.375 19007 5470 1 10 . 1 1 96 96 LYS HA H 96 4.079 4.079 4.815 -0.736 19007 5471 1 10 . 1 1 96 96 LYS C C 96 176.053 176.053 174.866 1.187 19007 5472 1 10 . 1 1 96 96 LYS CA C 96 62.497 62.497 55.257 7.240 19007 5473 1 10 . 1 1 96 96 LYS CB C 96 32.776 32.776 34.541 -1.765 19007 5474 1 10 . 1 1 97 97 LYS N N 97 126.170 126.170 119.838 6.332 19007 5475 1 10 . 1 1 97 97 LYS HA H 97 4.300 4.300 4.548 -0.248 19007 5476 1 10 . 1 1 97 97 LYS C C 97 176.665 176.665 175.538 1.127 19007 5477 1 10 . 1 1 97 97 LYS CA C 97 56.730 56.730 55.197 1.533 19007 5478 1 10 . 1 1 97 97 LYS CB C 97 33.020 33.020 34.370 -1.350 19007 5479 1 10 . 1 1 97 97 LYS H H 97 8.500 8.500 8.291 0.209 19007 5480 1 10 . 1 1 98 98 GLU N N 98 122.020 122.020 121.653 0.367 19007 5481 1 10 . 1 1 98 98 GLU HA H 98 4.226 4.226 4.368 -0.142 19007 5482 1 10 . 1 1 98 98 GLU C C 98 176.382 176.382 176.420 -0.038 19007 5483 1 10 . 1 1 98 98 GLU CA C 98 56.890 56.890 56.466 0.424 19007 5484 1 10 . 1 1 98 98 GLU CB C 98 30.410 30.410 28.791 1.619 19007 5485 1 10 . 1 1 98 98 GLU H H 98 8.470 8.470 8.893 -0.423 19007 5486 1 10 . 1 1 99 99 ALA N N 99 124.770 124.770 129.987 -5.217 19007 5487 1 10 . 1 1 99 99 ALA HA H 99 4.281 4.281 4.502 -0.221 19007 5488 1 10 . 1 1 99 99 ALA C C 99 177.723 177.723 176.517 1.206 19007 5489 1 10 . 1 1 99 99 ALA CA C 99 52.880 52.880 51.097 1.783 19007 5490 1 10 . 1 1 99 99 ALA CB C 99 19.320 19.320 18.502 0.818 19007 5491 1 10 . 1 1 99 99 ALA H H 99 8.310 8.310 8.551 -0.241 19007 5492 1 10 . 1 1 100 100 GLN N N 100 119.190 119.190 121.433 -2.243 19007 5493 1 10 . 1 1 100 100 GLN HA H 100 4.266 4.266 4.269 -0.003 19007 5494 1 10 . 1 1 100 100 GLN CA C 100 56.000 56.000 55.868 0.132 19007 5495 1 10 . 1 1 100 100 GLN CB C 100 29.970 29.970 29.409 0.561 19007 5496 1 10 . 1 1 100 100 GLN H H 100 8.280 8.280 7.982 0.298 19007 5497 1 10 . 1 1 101 101 GLN N N 101 120.421 120.421 127.375 -6.954 19007 5498 1 10 . 1 1 101 101 GLN HA H 101 4.650 4.650 4.369 0.281 19007 5499 1 10 . 1 1 101 101 GLN C C 101 175.725 175.725 174.832 0.893 19007 5500 1 10 . 1 1 101 101 GLN CA C 101 56.073 56.073 55.410 0.663 19007 5501 1 10 . 1 1 101 101 GLN CB C 101 29.524 29.524 27.987 1.537 19007 5502 1 10 . 1 1 101 101 GLN H H 101 8.114 8.114 8.662 -0.548 19007 5503 1 10 . 1 1 102 102 ILE N N 102 122.940 122.940 124.555 -1.615 19007 5504 1 10 . 1 1 102 102 ILE HA H 102 4.119 4.119 4.420 -0.301 19007 5505 1 10 . 1 1 102 102 ILE C C 102 175.916 175.916 174.921 0.995 19007 5506 1 10 . 1 1 102 102 ILE CA C 102 61.260 61.260 61.097 0.163 19007 5507 1 10 . 1 1 102 102 ILE CB C 102 38.790 38.790 38.970 -0.180 19007 5508 1 10 . 1 1 102 102 ILE H H 102 8.240 8.240 7.822 0.418 19007 5509 1 10 . 1 1 103 103 ARG N N 103 125.780 125.780 127.165 -1.385 19007 5510 1 10 . 1 1 103 103 ARG HA H 103 4.369 4.369 4.688 -0.319 19007 5511 1 10 . 1 1 103 103 ARG C C 103 175.752 175.752 175.668 0.084 19007 5512 1 10 . 1 1 103 103 ARG CA C 103 55.940 55.940 55.741 0.199 19007 5513 1 10 . 1 1 103 103 ARG CB C 103 31.340 31.340 30.733 0.607 19007 5514 1 10 . 1 1 103 103 ARG H H 103 8.400 8.400 8.648 -0.248 19007 5515 1 10 . 1 1 104 104 GLU N N 104 123.840 123.840 123.030 0.810 19007 5516 1 10 . 1 1 104 104 GLU HA H 104 4.296 4.296 4.270 0.026 19007 5517 1 10 . 1 1 104 104 GLU C C 104 175.314 175.314 176.560 -1.246 19007 5518 1 10 . 1 1 104 104 GLU CA C 104 56.430 56.430 56.895 -0.465 19007 5519 1 10 . 1 1 104 104 GLU CB C 104 30.560 30.560 30.349 0.211 19007 5520 1 10 . 1 1 104 104 GLU H H 104 8.510 8.510 8.862 -0.352 19007 5521 1 11 . 1 1 6 6 THR HA H 6 4.321 4.321 4.475 -0.154 19007 5522 1 11 . 1 1 6 6 THR C C 6 174.339 174.339 174.188 0.151 19007 5523 1 11 . 1 1 6 6 THR CA C 6 62.139 62.139 61.178 0.961 19007 5524 1 11 . 1 1 6 6 THR CB C 6 69.788 69.788 69.654 0.134 19007 5525 1 11 . 1 1 7 7 LYS N N 7 124.350 124.350 119.743 4.607 19007 5526 1 11 . 1 1 7 7 LYS HA H 7 4.265 4.265 4.204 0.061 19007 5527 1 11 . 1 1 7 7 LYS C C 7 176.341 176.341 175.784 0.557 19007 5528 1 11 . 1 1 7 7 LYS CA C 7 56.980 56.980 56.430 0.550 19007 5529 1 11 . 1 1 7 7 LYS CB C 7 33.110 33.110 32.729 0.381 19007 5530 1 11 . 1 1 7 7 LYS H H 7 8.320 8.320 8.234 0.086 19007 5531 1 11 . 1 1 8 8 LYS N N 8 123.170 123.170 119.746 3.424 19007 5532 1 11 . 1 1 8 8 LYS HA H 8 4.253 4.253 4.471 -0.218 19007 5533 1 11 . 1 1 8 8 LYS C C 8 176.083 176.083 175.570 0.513 19007 5534 1 11 . 1 1 8 8 LYS CA C 8 56.450 56.450 55.192 1.258 19007 5535 1 11 . 1 1 8 8 LYS CB C 8 33.480 33.480 35.060 -1.580 19007 5536 1 11 . 1 1 8 8 LYS H H 8 8.340 8.340 8.326 0.014 19007 5537 1 11 . 1 1 9 9 GLN N N 9 123.010 123.010 119.097 3.913 19007 5538 1 11 . 1 1 9 9 GLN HA H 9 4.289 4.289 4.496 -0.207 19007 5539 1 11 . 1 1 9 9 GLN C C 9 174.914 174.914 175.779 -0.865 19007 5540 1 11 . 1 1 9 9 GLN CA C 9 56.520 56.520 56.985 -0.465 19007 5541 1 11 . 1 1 9 9 GLN CB C 9 30.790 30.790 29.361 1.429 19007 5542 1 11 . 1 1 9 9 GLN H H 9 8.440 8.440 8.662 -0.222 19007 5543 1 11 . 1 1 10 10 GLN N N 10 121.180 121.180 119.892 1.288 19007 5544 1 11 . 1 1 10 10 GLN HA H 10 4.769 4.769 4.378 0.391 19007 5545 1 11 . 1 1 10 10 GLN C C 10 175.865 175.865 175.164 0.701 19007 5546 1 11 . 1 1 10 10 GLN CA C 10 55.580 55.580 55.439 0.141 19007 5547 1 11 . 1 1 10 10 GLN CB C 10 29.630 29.630 29.765 -0.135 19007 5548 1 11 . 1 1 10 10 GLN H H 10 8.170 8.170 8.090 0.080 19007 5549 1 11 . 1 1 11 11 TYR N N 11 120.110 120.110 120.861 -0.751 19007 5550 1 11 . 1 1 11 11 TYR HA H 11 4.769 4.769 4.818 -0.049 19007 5551 1 11 . 1 1 11 11 TYR C C 11 174.319 174.319 172.872 1.447 19007 5552 1 11 . 1 1 11 11 TYR CA C 11 58.490 58.490 56.583 1.907 19007 5553 1 11 . 1 1 11 11 TYR CB C 11 39.350 39.350 39.609 -0.259 19007 5554 1 11 . 1 1 11 11 TYR H H 11 8.470 8.470 8.356 0.114 19007 5555 1 11 . 1 1 12 12 VAL N N 12 117.030 117.030 120.979 -3.949 19007 5556 1 11 . 1 1 12 12 VAL HA H 12 4.793 4.793 5.139 -0.346 19007 5557 1 11 . 1 1 12 12 VAL C C 12 174.636 174.636 174.401 0.235 19007 5558 1 11 . 1 1 12 12 VAL CA C 12 60.730 60.730 60.306 0.424 19007 5559 1 11 . 1 1 12 12 VAL CB C 12 34.790 34.790 35.493 -0.703 19007 5560 1 11 . 1 1 12 12 VAL H H 12 7.590 7.590 8.451 -0.862 19007 5561 1 11 . 1 1 13 13 THR N N 13 121.770 121.770 122.944 -1.174 19007 5562 1 11 . 1 1 13 13 THR HA H 13 4.615 4.615 4.787 -0.172 19007 5563 1 11 . 1 1 13 13 THR C C 13 173.030 173.030 172.274 0.756 19007 5564 1 11 . 1 1 13 13 THR CA C 13 61.540 61.540 61.561 -0.021 19007 5565 1 11 . 1 1 13 13 THR CB C 13 71.050 71.050 70.595 0.455 19007 5566 1 11 . 1 1 13 13 THR H H 13 8.620 8.620 8.883 -0.263 19007 5567 1 11 . 1 1 14 14 ILE N N 14 126.190 126.190 127.050 -0.860 19007 5568 1 11 . 1 1 14 14 ILE HA H 14 4.781 4.781 4.579 0.202 19007 5569 1 11 . 1 1 14 14 ILE C C 14 175.112 175.112 174.304 0.808 19007 5570 1 11 . 1 1 14 14 ILE CA C 14 61.120 61.120 60.596 0.524 19007 5571 1 11 . 1 1 14 14 ILE CB C 14 40.340 40.340 40.782 -0.442 19007 5572 1 11 . 1 1 14 14 ILE H H 14 8.890 8.890 8.602 0.288 19007 5573 1 11 . 1 1 15 15 LYS N N 15 127.020 127.020 127.904 -0.884 19007 5574 1 11 . 1 1 15 15 LYS HA H 15 4.734 4.734 4.740 -0.006 19007 5575 1 11 . 1 1 15 15 LYS C C 15 175.409 175.409 175.536 -0.127 19007 5576 1 11 . 1 1 15 15 LYS CA C 15 54.740 54.740 55.207 -0.467 19007 5577 1 11 . 1 1 15 15 LYS CB C 15 35.430 35.430 35.135 0.295 19007 5578 1 11 . 1 1 15 15 LYS H H 15 8.850 8.850 9.017 -0.167 19007 5579 1 11 . 1 1 16 16 GLY N N 16 112.120 112.120 113.025 -0.905 19007 5580 1 11 . 1 1 16 16 GLY C C 16 172.566 172.566 173.542 -0.976 19007 5581 1 11 . 1 1 16 16 GLY CA C 16 45.560 45.560 44.973 0.587 19007 5582 1 11 . 1 1 16 16 GLY H H 16 8.870 8.870 8.792 0.078 19007 5583 1 11 . 1 1 17 17 THR N N 17 114.520 114.520 113.961 0.559 19007 5584 1 11 . 1 1 17 17 THR HA H 17 4.753 4.753 4.528 0.225 19007 5585 1 11 . 1 1 17 17 THR CA C 17 60.360 60.360 61.200 -0.840 19007 5586 1 11 . 1 1 17 17 THR CB C 17 72.040 72.040 70.374 1.666 19007 5587 1 11 . 1 1 17 17 THR H H 17 8.380 8.380 7.644 0.736 19007 5588 1 11 . 1 1 19 19 ASN HA H 19 4.778 4.778 5.089 -0.311 19007 5589 1 11 . 1 1 19 19 ASN C C 19 174.616 174.616 174.695 -0.079 19007 5590 1 11 . 1 1 19 19 ASN CA C 19 53.700 53.700 52.597 1.103 19007 5591 1 11 . 1 1 19 19 ASN CB C 19 39.018 39.018 40.111 -1.093 19007 5592 1 11 . 1 1 20 20 GLY N N 20 108.600 108.600 108.511 0.089 19007 5593 1 11 . 1 1 20 20 GLY C C 20 172.297 172.297 172.960 -0.663 19007 5594 1 11 . 1 1 20 20 GLY CA C 20 46.310 46.310 45.539 0.771 19007 5595 1 11 . 1 1 20 20 GLY H H 20 7.590 7.590 8.477 -0.887 19007 5596 1 11 . 1 1 21 21 LEU N N 21 123.210 123.210 121.809 1.401 19007 5597 1 11 . 1 1 21 21 LEU HA H 21 5.015 5.015 5.042 -0.027 19007 5598 1 11 . 1 1 21 21 LEU C C 21 176.202 176.202 174.163 2.039 19007 5599 1 11 . 1 1 21 21 LEU CA C 21 54.090 54.090 55.203 -1.113 19007 5600 1 11 . 1 1 21 21 LEU CB C 21 45.940 45.940 44.668 1.272 19007 5601 1 11 . 1 1 21 21 LEU H H 21 8.760 8.760 8.212 0.548 19007 5602 1 11 . 1 1 22 22 THR N N 22 120.430 120.430 123.052 -2.622 19007 5603 1 11 . 1 1 22 22 THR HA H 22 5.191 5.191 4.732 0.459 19007 5604 1 11 . 1 1 22 22 THR C C 22 172.852 172.852 173.236 -0.384 19007 5605 1 11 . 1 1 22 22 THR CA C 22 61.850 61.850 61.266 0.584 19007 5606 1 11 . 1 1 22 22 THR CB C 22 69.800 69.800 69.063 0.737 19007 5607 1 11 . 1 1 22 22 THR H H 22 9.150 9.150 9.020 0.130 19007 5608 1 11 . 1 1 23 23 LEU N N 23 127.110 127.110 124.039 3.071 19007 5609 1 11 . 1 1 23 23 LEU HA H 23 4.910 4.910 5.531 -0.621 19007 5610 1 11 . 1 1 23 23 LEU C C 23 174.200 174.200 174.296 -0.096 19007 5611 1 11 . 1 1 23 23 LEU CA C 23 52.770 52.770 52.911 -0.141 19007 5612 1 11 . 1 1 23 23 LEU CB C 23 44.220 44.220 45.590 -1.370 19007 5613 1 11 . 1 1 23 23 LEU H H 23 8.870 8.870 7.845 1.025 19007 5614 1 11 . 1 1 24 24 HIS N N 24 124.600 124.600 120.558 4.042 19007 5615 1 11 . 1 1 24 24 HIS HA H 24 4.875 4.875 5.653 -0.778 19007 5616 1 11 . 1 1 24 24 HIS C C 24 174.033 174.033 173.042 0.991 19007 5617 1 11 . 1 1 24 24 HIS CA C 24 56.000 56.000 54.995 1.005 19007 5618 1 11 . 1 1 24 24 HIS CB C 24 30.400 30.400 34.206 -3.806 19007 5619 1 11 . 1 1 24 24 HIS H H 24 9.160 9.160 9.197 -0.037 19007 5620 1 11 . 1 1 25 25 LEU N N 25 125.950 125.950 126.830 -0.880 19007 5621 1 11 . 1 1 25 25 LEU HA H 25 4.382 4.382 4.851 -0.469 19007 5622 1 11 . 1 1 25 25 LEU C C 25 175.806 175.806 174.080 1.726 19007 5623 1 11 . 1 1 25 25 LEU CA C 25 53.250 53.250 53.946 -0.696 19007 5624 1 11 . 1 1 25 25 LEU CB C 25 41.030 41.030 46.253 -5.223 19007 5625 1 11 . 1 1 25 25 LEU H H 25 8.420 8.420 7.845 0.575 19007 5626 1 11 . 1 1 26 26 ASP N N 26 126.170 126.170 126.473 -0.303 19007 5627 1 11 . 1 1 26 26 ASP HA H 26 4.344 4.344 5.145 -0.801 19007 5628 1 11 . 1 1 26 26 ASP C C 26 176.302 176.302 174.335 1.967 19007 5629 1 11 . 1 1 26 26 ASP CA C 26 56.480 56.480 53.538 2.942 19007 5630 1 11 . 1 1 26 26 ASP CB C 26 43.880 43.880 42.062 1.817 19007 5631 1 11 . 1 1 26 26 ASP H H 26 8.630 8.630 8.122 0.508 19007 5632 1 11 . 1 1 27 27 ASP N N 27 122.430 122.430 121.172 1.258 19007 5633 1 11 . 1 1 27 27 ASP HA H 27 4.540 4.540 4.789 -0.249 19007 5634 1 11 . 1 1 27 27 ASP C C 27 176.381 176.381 173.628 2.753 19007 5635 1 11 . 1 1 27 27 ASP CA C 27 54.060 54.060 53.773 0.287 19007 5636 1 11 . 1 1 27 27 ASP CB C 27 40.820 40.820 45.095 -4.275 19007 5637 1 11 . 1 1 27 27 ASP H H 27 8.150 8.150 7.575 0.575 19007 5638 1 11 . 1 1 28 28 ALA N N 28 123.520 123.520 124.177 -0.657 19007 5639 1 11 . 1 1 28 28 ALA HA H 28 4.600 4.600 4.788 -0.188 19007 5640 1 11 . 1 1 28 28 ALA C C 28 178.324 178.324 177.427 0.897 19007 5641 1 11 . 1 1 28 28 ALA CA C 28 52.860 52.860 50.681 2.179 19007 5642 1 11 . 1 1 28 28 ALA CB C 28 20.790 20.790 21.318 -0.528 19007 5643 1 11 . 1 1 28 28 ALA H H 28 8.480 8.480 8.431 0.049 19007 5644 1 11 . 1 1 29 29 CYS N N 29 115.580 115.580 116.282 -0.702 19007 5645 1 11 . 1 1 29 29 CYS HA H 29 4.680 4.680 4.229 0.451 19007 5646 1 11 . 1 1 29 29 CYS C C 29 174.696 174.696 173.521 1.175 19007 5647 1 11 . 1 1 29 29 CYS CA C 29 56.060 56.060 59.816 -3.756 19007 5648 1 11 . 1 1 29 29 CYS CB C 29 29.050 29.050 25.599 3.451 19007 5649 1 11 . 1 1 29 29 CYS H H 29 7.510 7.510 8.697 -1.187 19007 5650 1 11 . 1 1 30 30 SER N N 30 119.090 119.090 114.388 4.702 19007 5651 1 11 . 1 1 30 30 SER HA H 30 4.500 4.500 4.718 -0.218 19007 5652 1 11 . 1 1 30 30 SER CA C 30 58.370 58.370 56.974 1.396 19007 5653 1 11 . 1 1 30 30 SER CB C 30 64.170 64.170 65.552 -1.382 19007 5654 1 11 . 1 1 30 30 SER H H 30 9.170 9.170 7.732 1.438 19007 5655 1 11 . 1 1 31 31 PHE HA H 31 4.041 4.041 4.560 -0.519 19007 5656 1 11 . 1 1 31 31 PHE C C 31 176.440 176.440 175.451 0.989 19007 5657 1 11 . 1 1 31 31 PHE CA C 31 62.491 62.491 57.354 5.137 19007 5658 1 11 . 1 1 31 31 PHE CB C 31 39.018 39.018 39.336 -0.318 19007 5659 1 11 . 1 1 32 32 ASP N N 32 116.020 116.020 127.532 -11.512 19007 5660 1 11 . 1 1 32 32 ASP HA H 32 4.139 4.139 4.799 -0.660 19007 5661 1 11 . 1 1 32 32 ASP C C 32 178.978 178.978 176.593 2.385 19007 5662 1 11 . 1 1 32 32 ASP CA C 32 57.670 57.670 53.033 4.637 19007 5663 1 11 . 1 1 32 32 ASP CB C 32 40.290 40.290 40.406 -0.116 19007 5664 1 11 . 1 1 32 32 ASP H H 32 8.370 8.370 8.670 -0.300 19007 5665 1 11 . 1 1 33 33 GLU N N 33 120.170 120.170 122.752 -2.582 19007 5666 1 11 . 1 1 33 33 GLU HA H 33 4.149 4.149 4.445 -0.296 19007 5667 1 11 . 1 1 33 33 GLU C C 33 179.256 179.256 178.125 1.131 19007 5668 1 11 . 1 1 33 33 GLU CA C 33 58.810 58.810 58.218 0.592 19007 5669 1 11 . 1 1 33 33 GLU CB C 33 29.510 29.510 29.717 -0.207 19007 5670 1 11 . 1 1 33 33 GLU H H 33 7.560 7.560 8.239 -0.679 19007 5671 1 11 . 1 1 34 34 LEU N N 34 121.930 121.930 119.938 1.992 19007 5672 1 11 . 1 1 34 34 LEU HA H 34 3.755 3.755 4.233 -0.478 19007 5673 1 11 . 1 1 34 34 LEU C C 34 178.205 178.205 178.865 -0.660 19007 5674 1 11 . 1 1 34 34 LEU CA C 34 57.910 57.910 56.874 1.036 19007 5675 1 11 . 1 1 34 34 LEU CB C 34 41.980 41.980 41.919 0.061 19007 5676 1 11 . 1 1 34 34 LEU H H 34 7.730 7.730 7.719 0.011 19007 5677 1 11 . 1 1 35 35 LEU N N 35 118.190 118.190 121.501 -3.311 19007 5678 1 11 . 1 1 35 35 LEU HA H 35 3.575 3.575 4.022 -0.447 19007 5679 1 11 . 1 1 35 35 LEU C C 35 179.295 179.295 177.952 1.343 19007 5680 1 11 . 1 1 35 35 LEU CA C 35 57.990 57.990 58.378 -0.388 19007 5681 1 11 . 1 1 35 35 LEU CB C 35 40.900 40.900 41.998 -1.098 19007 5682 1 11 . 1 1 35 35 LEU H H 35 7.880 7.880 8.153 -0.273 19007 5683 1 11 . 1 1 36 36 ASP N N 36 118.760 118.760 118.534 0.226 19007 5684 1 11 . 1 1 36 36 ASP HA H 36 4.308 4.308 4.357 -0.049 19007 5685 1 11 . 1 1 36 36 ASP C C 36 178.819 178.819 178.242 0.577 19007 5686 1 11 . 1 1 36 36 ASP CA C 36 57.570 57.570 57.192 0.378 19007 5687 1 11 . 1 1 36 36 ASP CB C 36 41.500 41.500 40.327 1.173 19007 5688 1 11 . 1 1 36 36 ASP H H 36 7.580 7.580 7.942 -0.362 19007 5689 1 11 . 1 1 37 37 GLY N N 37 107.520 107.520 108.955 -1.435 19007 5690 1 11 . 1 1 37 37 GLY C C 37 176.678 176.678 176.544 0.134 19007 5691 1 11 . 1 1 37 37 GLY CA C 37 47.340 47.340 47.163 0.177 19007 5692 1 11 . 1 1 37 37 GLY H H 37 8.210 8.210 7.799 0.411 19007 5693 1 11 . 1 1 38 38 LEU N N 38 123.680 123.680 122.476 1.204 19007 5694 1 11 . 1 1 38 38 LEU HA H 38 4.007 4.007 4.096 -0.089 19007 5695 1 11 . 1 1 38 38 LEU C C 38 177.769 177.769 178.503 -0.734 19007 5696 1 11 . 1 1 38 38 LEU CA C 38 57.970 57.970 57.888 0.083 19007 5697 1 11 . 1 1 38 38 LEU CB C 38 42.250 42.250 41.608 0.642 19007 5698 1 11 . 1 1 38 38 LEU H H 38 8.800 8.800 7.707 1.093 19007 5699 1 11 . 1 1 39 39 GLN N N 39 118.840 118.840 120.141 -1.301 19007 5700 1 11 . 1 1 39 39 GLN HA H 39 3.887 3.887 3.823 0.064 19007 5701 1 11 . 1 1 39 39 GLN C C 39 178.443 178.443 178.265 0.178 19007 5702 1 11 . 1 1 39 39 GLN CA C 39 59.450 59.450 59.580 -0.130 19007 5703 1 11 . 1 1 39 39 GLN CB C 39 28.400 28.400 28.260 0.140 19007 5704 1 11 . 1 1 39 39 GLN H H 39 8.460 8.460 8.496 -0.036 19007 5705 1 11 . 1 1 40 40 ASN N N 40 116.110 116.110 118.324 -2.214 19007 5706 1 11 . 1 1 40 40 ASN HA H 40 4.488 4.488 4.462 0.026 19007 5707 1 11 . 1 1 40 40 ASN C C 40 177.491 177.491 177.889 -0.398 19007 5708 1 11 . 1 1 40 40 ASN CA C 40 56.330 56.330 55.997 0.333 19007 5709 1 11 . 1 1 40 40 ASN CB C 40 39.230 39.230 38.615 0.615 19007 5710 1 11 . 1 1 40 40 ASN H H 40 7.810 7.810 8.006 -0.196 19007 5711 1 11 . 1 1 41 41 MET N N 41 119.840 119.840 120.721 -0.881 19007 5712 1 11 . 1 1 41 41 MET HA H 41 4.344 4.344 4.143 0.201 19007 5713 1 11 . 1 1 41 41 MET C C 41 177.551 177.551 178.106 -0.555 19007 5714 1 11 . 1 1 41 41 MET CA C 41 58.140 58.140 59.300 -1.160 19007 5715 1 11 . 1 1 41 41 MET CB C 41 32.600 32.600 32.860 -0.260 19007 5716 1 11 . 1 1 41 41 MET H H 41 8.060 8.060 7.712 0.348 19007 5717 1 11 . 1 1 42 42 LEU N N 42 116.680 116.680 118.817 -2.137 19007 5718 1 11 . 1 1 42 42 LEU HA H 42 4.236 4.236 3.926 0.310 19007 5719 1 11 . 1 1 42 42 LEU C C 42 177.055 177.055 179.179 -2.124 19007 5720 1 11 . 1 1 42 42 LEU CA C 42 55.850 55.850 58.133 -2.283 19007 5721 1 11 . 1 1 42 42 LEU CB C 42 41.490 41.490 41.486 0.004 19007 5722 1 11 . 1 1 42 42 LEU H H 42 8.280 8.280 8.710 -0.430 19007 5723 1 11 . 1 1 43 43 SER N N 43 113.420 113.420 113.945 -0.525 19007 5724 1 11 . 1 1 43 43 SER HA H 43 4.452 4.452 4.126 0.326 19007 5725 1 11 . 1 1 43 43 SER C C 43 174.755 174.755 175.672 -0.917 19007 5726 1 11 . 1 1 43 43 SER CA C 43 59.340 59.340 61.564 -2.224 19007 5727 1 11 . 1 1 43 43 SER CB C 43 63.580 63.580 62.938 0.643 19007 5728 1 11 . 1 1 43 43 SER H H 43 7.650 7.650 7.994 -0.344 19007 5729 1 11 . 1 1 44 44 ILE N N 44 120.390 120.390 118.893 1.497 19007 5730 1 11 . 1 1 44 44 ILE HA H 44 4.188 4.188 4.131 0.057 19007 5731 1 11 . 1 1 44 44 ILE C C 44 176.440 176.440 177.041 -0.601 19007 5732 1 11 . 1 1 44 44 ILE CA C 44 61.500 61.500 61.847 -0.347 19007 5733 1 11 . 1 1 44 44 ILE CB C 44 38.640 38.640 37.956 0.684 19007 5734 1 11 . 1 1 44 44 ILE H H 44 7.590 7.590 7.307 0.283 19007 5735 1 11 . 1 1 45 45 GLU N N 45 118.850 118.850 119.468 -0.618 19007 5736 1 11 . 1 1 45 45 GLU HA H 45 4.272 4.272 4.180 0.092 19007 5737 1 11 . 1 1 45 45 GLU C C 45 176.698 176.698 177.029 -0.331 19007 5738 1 11 . 1 1 45 45 GLU CA C 45 61.950 61.950 58.523 3.427 19007 5739 1 11 . 1 1 45 45 GLU CB C 45 29.840 29.840 31.112 -1.272 19007 5740 1 11 . 1 1 45 45 GLU H H 45 8.200 8.200 7.972 0.228 19007 5741 1 11 . 1 1 46 46 GLN N N 46 118.260 118.260 117.122 1.138 19007 5742 1 11 . 1 1 46 46 GLN HA H 46 4.212 4.212 4.436 -0.224 19007 5743 1 11 . 1 1 46 46 GLN C C 46 176.361 176.361 173.666 2.695 19007 5744 1 11 . 1 1 46 46 GLN CA C 46 56.770 56.770 56.217 0.553 19007 5745 1 11 . 1 1 46 46 GLN CB C 46 28.920 28.920 30.541 -1.621 19007 5746 1 11 . 1 1 46 46 GLN H H 46 8.270 8.270 8.100 0.170 19007 5747 1 11 . 1 1 47 47 TYR N N 47 117.690 117.690 119.156 -1.466 19007 5748 1 11 . 1 1 47 47 TYR HA H 47 4.701 4.701 5.126 -0.425 19007 5749 1 11 . 1 1 47 47 TYR C C 47 175.588 175.588 174.445 1.143 19007 5750 1 11 . 1 1 47 47 TYR CA C 47 58.290 58.290 56.085 2.205 19007 5751 1 11 . 1 1 47 47 TYR CB C 47 39.250 39.250 38.615 0.635 19007 5752 1 11 . 1 1 47 47 TYR H H 47 7.980 7.980 8.106 -0.126 19007 5753 1 11 . 1 1 48 48 THR N N 48 108.930 108.930 117.427 -8.497 19007 5754 1 11 . 1 1 48 48 THR HA H 48 4.464 4.464 4.133 0.331 19007 5755 1 11 . 1 1 48 48 THR C C 48 176.381 176.381 174.357 2.024 19007 5756 1 11 . 1 1 48 48 THR CA C 48 61.150 61.150 61.410 -0.260 19007 5757 1 11 . 1 1 48 48 THR CB C 48 70.190 70.190 68.601 1.589 19007 5758 1 11 . 1 1 48 48 THR H H 48 7.570 7.570 7.395 0.175 19007 5759 1 11 . 1 1 49 49 ASP N N 49 121.350 121.350 126.099 -4.749 19007 5760 1 11 . 1 1 49 49 ASP HA H 49 4.752 4.752 4.436 0.316 19007 5761 1 11 . 1 1 49 49 ASP C C 49 177.015 177.015 176.789 0.226 19007 5762 1 11 . 1 1 49 49 ASP CA C 49 53.710 53.710 56.037 -2.327 19007 5763 1 11 . 1 1 49 49 ASP CB C 49 41.200 41.200 42.256 -1.056 19007 5764 1 11 . 1 1 49 49 ASP H H 49 8.100 8.100 8.063 0.037 19007 5765 1 11 . 1 1 50 50 GLY N N 50 112.360 112.360 106.524 5.836 19007 5766 1 11 . 1 1 50 50 GLY C C 50 175.449 175.449 175.474 -0.025 19007 5767 1 11 . 1 1 50 50 GLY CA C 50 46.000 46.000 45.801 0.199 19007 5768 1 11 . 1 1 50 50 GLY H H 50 9.080 9.080 7.804 1.276 19007 5769 1 11 . 1 1 51 51 LYS N N 51 119.510 119.510 120.724 -1.214 19007 5770 1 11 . 1 1 51 51 LYS HA H 51 4.200 4.200 4.562 -0.362 19007 5771 1 11 . 1 1 51 51 LYS C C 51 177.214 177.214 176.173 1.041 19007 5772 1 11 . 1 1 51 51 LYS CA C 51 56.540 56.540 55.998 0.542 19007 5773 1 11 . 1 1 51 51 LYS CB C 51 31.420 31.420 34.489 -3.069 19007 5774 1 11 . 1 1 51 51 LYS H H 51 8.590 8.590 8.933 -0.343 19007 5775 1 11 . 1 1 52 52 GLY N N 52 108.180 108.180 108.988 -0.808 19007 5776 1 11 . 1 1 52 52 GLY C C 52 174.279 174.279 172.881 1.398 19007 5777 1 11 . 1 1 52 52 GLY CA C 52 45.450 45.450 45.511 -0.061 19007 5778 1 11 . 1 1 52 52 GLY H H 52 8.670 8.670 8.059 0.611 19007 5779 1 11 . 1 1 53 53 GLN N N 53 120.010 120.010 119.602 0.408 19007 5780 1 11 . 1 1 53 53 GLN HA H 53 4.440 4.440 4.251 0.189 19007 5781 1 11 . 1 1 53 53 GLN C C 53 175.001 175.001 174.604 0.397 19007 5782 1 11 . 1 1 53 53 GLN CA C 53 54.580 54.580 55.134 -0.554 19007 5783 1 11 . 1 1 53 53 GLN CB C 53 30.330 30.330 29.351 0.979 19007 5784 1 11 . 1 1 53 53 GLN H H 53 7.860 7.860 7.920 -0.060 19007 5785 1 11 . 1 1 54 54 LYS N N 54 120.420 120.420 125.332 -4.912 19007 5786 1 11 . 1 1 54 54 LYS HA H 54 4.704 4.704 4.773 -0.069 19007 5787 1 11 . 1 1 54 54 LYS C C 54 176.753 176.753 175.314 1.439 19007 5788 1 11 . 1 1 54 54 LYS CA C 54 55.830 55.830 55.243 0.587 19007 5789 1 11 . 1 1 54 54 LYS CB C 54 33.850 33.850 34.398 -0.548 19007 5790 1 11 . 1 1 54 54 LYS H H 54 8.250 8.250 9.048 -0.798 19007 5791 1 11 . 1 1 55 55 ILE N N 55 125.360 125.360 129.762 -4.402 19007 5792 1 11 . 1 1 55 55 ILE HA H 55 4.169 4.169 4.807 -0.638 19007 5793 1 11 . 1 1 55 55 ILE C C 55 174.405 174.405 174.763 -0.358 19007 5794 1 11 . 1 1 55 55 ILE CA C 55 60.350 60.350 60.422 -0.072 19007 5795 1 11 . 1 1 55 55 ILE CB C 55 39.690 39.690 37.745 1.945 19007 5796 1 11 . 1 1 55 55 ILE H H 55 9.050 9.050 8.961 0.089 19007 5797 1 11 . 1 1 56 56 SER N N 56 121.850 121.850 121.957 -0.107 19007 5798 1 11 . 1 1 56 56 SER HA H 56 4.480 4.480 5.189 -0.709 19007 5799 1 11 . 1 1 56 56 SER C C 56 174.105 174.105 174.005 0.100 19007 5800 1 11 . 1 1 56 56 SER CA C 56 57.410 57.410 56.271 1.139 19007 5801 1 11 . 1 1 56 56 SER CB C 56 64.080 64.080 63.421 0.659 19007 5802 1 11 . 1 1 56 56 SER H H 56 8.330 8.330 8.254 0.076 19007 5803 1 11 . 1 1 57 57 VAL N N 57 123.190 123.190 127.285 -4.095 19007 5804 1 11 . 1 1 57 57 VAL HA H 57 4.861 4.861 3.980 0.881 19007 5805 1 11 . 1 1 57 57 VAL C C 57 174.869 174.869 174.686 0.183 19007 5806 1 11 . 1 1 57 57 VAL CA C 57 61.130 61.130 62.328 -1.198 19007 5807 1 11 . 1 1 57 57 VAL CB C 57 33.600 33.600 30.971 2.629 19007 5808 1 11 . 1 1 57 57 VAL H H 57 8.680 8.680 8.450 0.230 19007 5809 1 11 . 1 1 58 58 HIS N N 58 129.590 129.590 127.301 2.289 19007 5810 1 11 . 1 1 58 58 HIS HA H 58 5.076 5.076 4.881 0.195 19007 5811 1 11 . 1 1 58 58 HIS C C 58 174.351 174.351 174.792 -0.441 19007 5812 1 11 . 1 1 58 58 HIS CA C 58 54.420 54.420 53.897 0.523 19007 5813 1 11 . 1 1 58 58 HIS CB C 58 31.720 31.720 29.332 2.388 19007 5814 1 11 . 1 1 58 58 HIS H H 58 9.050 9.050 8.180 0.870 19007 5815 1 11 . 1 1 59 59 VAL N N 59 125.260 125.260 120.778 4.482 19007 5816 1 11 . 1 1 59 59 VAL HA H 59 4.408 4.408 4.225 0.183 19007 5817 1 11 . 1 1 59 59 VAL C C 59 174.460 174.460 175.431 -0.971 19007 5818 1 11 . 1 1 59 59 VAL CA C 59 62.370 62.370 61.202 1.168 19007 5819 1 11 . 1 1 59 59 VAL CB C 59 32.760 32.760 30.700 2.060 19007 5820 1 11 . 1 1 59 59 VAL H H 59 8.800 8.800 8.261 0.539 19007 5821 1 11 . 1 1 60 60 LYS N N 60 128.520 128.520 127.874 0.646 19007 5822 1 11 . 1 1 60 60 LYS HA H 60 4.909 4.909 4.391 0.518 19007 5823 1 11 . 1 1 60 60 LYS C C 60 175.825 175.825 175.796 0.029 19007 5824 1 11 . 1 1 60 60 LYS CA C 60 54.450 54.450 54.355 0.095 19007 5825 1 11 . 1 1 60 60 LYS CB C 60 32.490 32.490 29.916 2.574 19007 5826 1 11 . 1 1 60 60 LYS H H 60 9.040 9.040 7.828 1.212 19007 5827 1 11 . 1 1 61 61 LEU N N 61 121.430 121.430 120.716 0.714 19007 5828 1 11 . 1 1 61 61 LEU HA H 61 4.527 4.527 4.536 -0.009 19007 5829 1 11 . 1 1 61 61 LEU C C 61 178.910 178.910 178.272 0.638 19007 5830 1 11 . 1 1 61 61 LEU CA C 61 54.410 54.410 56.453 -2.043 19007 5831 1 11 . 1 1 61 61 LEU CB C 61 44.330 44.330 42.858 1.472 19007 5832 1 11 . 1 1 61 61 LEU H H 61 8.700 8.700 7.732 0.968 19007 5833 1 11 . 1 1 62 62 GLY N N 62 110.520 110.520 102.915 7.605 19007 5834 1 11 . 1 1 62 62 GLY C C 62 175.350 175.350 174.257 1.093 19007 5835 1 11 . 1 1 62 62 GLY CA C 62 46.710 46.710 44.756 1.954 19007 5836 1 11 . 1 1 62 62 GLY H H 62 9.060 9.060 7.987 1.073 19007 5837 1 11 . 1 1 63 63 ASN N N 63 127.090 127.090 121.241 5.849 19007 5838 1 11 . 1 1 63 63 ASN HA H 63 4.778 4.778 4.660 0.118 19007 5839 1 11 . 1 1 63 63 ASN C C 63 174.214 174.214 175.776 -1.562 19007 5840 1 11 . 1 1 63 63 ASN CA C 63 52.910 52.910 53.133 -0.223 19007 5841 1 11 . 1 1 63 63 ASN CB C 63 38.100 38.100 37.983 0.117 19007 5842 1 11 . 1 1 63 63 ASN H H 63 10.390 10.390 8.644 1.746 19007 5843 1 11 . 1 1 64 64 ARG N N 64 121.850 121.850 120.609 1.241 19007 5844 1 11 . 1 1 64 64 ARG HA H 64 4.265 4.265 4.207 0.058 19007 5845 1 11 . 1 1 64 64 ARG C C 64 174.214 174.214 176.368 -2.154 19007 5846 1 11 . 1 1 64 64 ARG CA C 64 56.330 56.330 56.777 -0.447 19007 5847 1 11 . 1 1 64 64 ARG CB C 64 33.860 33.860 30.383 3.477 19007 5848 1 11 . 1 1 64 64 ARG H H 64 7.520 7.520 7.718 -0.198 19007 5849 1 11 . 1 1 65 65 PHE N N 65 127.760 127.760 118.930 8.830 19007 5850 1 11 . 1 1 65 65 PHE HA H 65 4.503 4.503 4.098 0.405 19007 5851 1 11 . 1 1 65 65 PHE C C 65 176.508 176.508 174.146 2.362 19007 5852 1 11 . 1 1 65 65 PHE CA C 65 56.760 56.760 58.237 -1.477 19007 5853 1 11 . 1 1 65 65 PHE CB C 65 40.430 40.430 37.800 2.630 19007 5854 1 11 . 1 1 65 65 PHE H H 65 8.580 8.580 7.551 1.029 19007 5855 1 11 . 1 1 66 66 LEU N N 66 125.260 125.260 124.431 0.829 19007 5856 1 11 . 1 1 66 66 LEU HA H 66 4.288 4.288 4.337 -0.049 19007 5857 1 11 . 1 1 66 66 LEU C C 66 176.508 176.508 176.573 -0.065 19007 5858 1 11 . 1 1 66 66 LEU CA C 66 53.080 53.080 54.109 -1.029 19007 5859 1 11 . 1 1 66 66 LEU CB C 66 43.170 43.170 43.466 -0.296 19007 5860 1 11 . 1 1 66 66 LEU H H 66 8.040 8.040 7.828 0.212 19007 5861 1 11 . 1 1 67 67 TYR N N 67 120.480 120.480 124.385 -3.905 19007 5862 1 11 . 1 1 67 67 TYR HA H 67 4.515 4.515 4.370 0.145 19007 5863 1 11 . 1 1 67 67 TYR C C 67 177.791 177.791 176.139 1.652 19007 5864 1 11 . 1 1 67 67 TYR CA C 67 58.120 58.120 57.694 0.426 19007 5865 1 11 . 1 1 67 67 TYR CB C 67 39.320 39.320 36.245 3.075 19007 5866 1 11 . 1 1 67 67 TYR H H 67 7.880 7.880 8.779 -0.899 19007 5867 1 11 . 1 1 68 68 LYS N N 68 125.020 125.020 121.517 3.503 19007 5868 1 11 . 1 1 68 68 LYS HA H 68 4.034 4.034 3.972 0.062 19007 5869 1 11 . 1 1 68 68 LYS C C 68 178.364 178.364 177.740 0.624 19007 5870 1 11 . 1 1 68 68 LYS CA C 68 60.130 60.130 59.046 1.084 19007 5871 1 11 . 1 1 68 68 LYS CB C 68 32.150 32.150 32.117 0.033 19007 5872 1 11 . 1 1 68 68 LYS H H 68 9.120 9.120 7.828 1.292 19007 5873 1 11 . 1 1 69 69 GLU N N 69 116.430 116.430 118.906 -2.476 19007 5874 1 11 . 1 1 69 69 GLU HA H 69 4.133 4.133 4.033 0.100 19007 5875 1 11 . 1 1 69 69 GLU C C 69 179.538 179.538 178.761 0.777 19007 5876 1 11 . 1 1 69 69 GLU CA C 69 60.030 60.030 59.082 0.948 19007 5877 1 11 . 1 1 69 69 GLU CB C 69 28.560 28.560 28.891 -0.331 19007 5878 1 11 . 1 1 69 69 GLU H H 69 9.460 9.460 8.528 0.932 19007 5879 1 11 . 1 1 70 70 GLN N N 70 117.670 117.670 117.829 -0.159 19007 5880 1 11 . 1 1 70 70 GLN HA H 70 4.120 4.120 4.132 -0.012 19007 5881 1 11 . 1 1 70 70 GLN C C 70 177.955 177.955 178.310 -0.355 19007 5882 1 11 . 1 1 70 70 GLN CA C 70 57.950 57.950 58.706 -0.756 19007 5883 1 11 . 1 1 70 70 GLN CB C 70 29.290 29.290 28.555 0.735 19007 5884 1 11 . 1 1 70 70 GLN H H 70 7.000 7.000 8.096 -1.096 19007 5885 1 11 . 1 1 71 71 GLU N N 71 120.850 120.850 118.667 2.183 19007 5886 1 11 . 1 1 71 71 GLU HA H 71 3.668 3.668 4.128 -0.460 19007 5887 1 11 . 1 1 71 71 GLU C C 71 179.429 179.429 178.712 0.717 19007 5888 1 11 . 1 1 71 71 GLU CA C 71 60.620 60.620 58.977 1.643 19007 5889 1 11 . 1 1 71 71 GLU CB C 71 29.660 29.660 29.382 0.278 19007 5890 1 11 . 1 1 71 71 GLU H H 71 8.080 8.080 7.599 0.481 19007 5891 1 11 . 1 1 72 72 GLU N N 72 119.670 119.670 121.328 -1.658 19007 5892 1 11 . 1 1 72 72 GLU HA H 72 4.038 4.038 3.914 0.124 19007 5893 1 11 . 1 1 72 72 GLU C C 72 178.446 178.446 178.656 -0.210 19007 5894 1 11 . 1 1 72 72 GLU CA C 72 59.690 59.690 59.729 -0.039 19007 5895 1 11 . 1 1 72 72 GLU CB C 72 29.350 29.350 29.649 -0.299 19007 5896 1 11 . 1 1 72 72 GLU H H 72 8.390 8.390 8.683 -0.293 19007 5897 1 11 . 1 1 73 73 GLN N N 73 119.030 119.030 116.614 2.416 19007 5898 1 11 . 1 1 73 73 GLN HA H 73 4.110 4.110 4.092 0.018 19007 5899 1 11 . 1 1 73 73 GLN C C 73 179.320 179.320 177.585 1.735 19007 5900 1 11 . 1 1 73 73 GLN CA C 73 59.470 59.470 58.454 1.016 19007 5901 1 11 . 1 1 73 73 GLN CB C 73 29.480 29.480 28.560 0.920 19007 5902 1 11 . 1 1 73 73 GLN H H 73 7.730 7.730 8.155 -0.425 19007 5903 1 11 . 1 1 74 74 LEU N N 74 119.760 119.760 114.092 5.668 19007 5904 1 11 . 1 1 74 74 LEU HA H 74 3.918 3.918 4.612 -0.694 19007 5905 1 11 . 1 1 74 74 LEU C C 74 177.818 177.818 178.615 -0.797 19007 5906 1 11 . 1 1 74 74 LEU CA C 74 58.720 58.720 56.635 2.086 19007 5907 1 11 . 1 1 74 74 LEU CB C 74 42.890 42.890 42.225 0.665 19007 5908 1 11 . 1 1 74 74 LEU H H 74 8.290 8.290 7.371 0.919 19007 5909 1 11 . 1 1 75 75 THR N N 75 113.520 113.520 116.944 -3.424 19007 5910 1 11 . 1 1 75 75 THR HA H 75 3.680 3.680 4.050 -0.370 19007 5911 1 11 . 1 1 75 75 THR C C 75 176.480 176.480 176.081 0.399 19007 5912 1 11 . 1 1 75 75 THR CA C 75 66.990 66.990 66.935 0.055 19007 5913 1 11 . 1 1 75 75 THR CB C 75 68.640 68.640 68.163 0.477 19007 5914 1 11 . 1 1 75 75 THR H H 75 8.450 8.450 8.310 0.140 19007 5915 1 11 . 1 1 76 76 GLU N N 76 121.340 121.340 121.881 -0.541 19007 5916 1 11 . 1 1 76 76 GLU HA H 76 4.014 4.014 3.959 0.055 19007 5917 1 11 . 1 1 76 76 GLU C C 76 178.965 178.965 178.131 0.834 19007 5918 1 11 . 1 1 76 76 GLU CA C 76 59.190 59.190 60.085 -0.895 19007 5919 1 11 . 1 1 76 76 GLU CB C 76 29.590 29.590 29.280 0.310 19007 5920 1 11 . 1 1 76 76 GLU H H 76 8.330 8.330 8.325 0.005 19007 5921 1 11 . 1 1 77 77 LEU N N 77 120.170 120.170 119.035 1.135 19007 5922 1 11 . 1 1 77 77 LEU HA H 77 3.955 3.955 4.119 -0.164 19007 5923 1 11 . 1 1 77 77 LEU C C 77 180.057 180.057 178.838 1.219 19007 5924 1 11 . 1 1 77 77 LEU CA C 77 58.510 58.510 58.096 0.413 19007 5925 1 11 . 1 1 77 77 LEU CB C 77 42.716 42.716 41.900 0.816 19007 5926 1 11 . 1 1 77 77 LEU H H 77 7.560 7.560 7.493 0.067 19007 5927 1 11 . 1 1 78 78 ILE N N 78 119.930 119.930 117.638 2.292 19007 5928 1 11 . 1 1 78 78 ILE HA H 78 3.429 3.429 3.933 -0.504 19007 5929 1 11 . 1 1 78 78 ILE C C 78 176.043 176.043 177.672 -1.629 19007 5930 1 11 . 1 1 78 78 ILE CA C 78 65.740 65.740 62.861 2.880 19007 5931 1 11 . 1 1 78 78 ILE CB C 78 37.960 37.960 38.214 -0.254 19007 5932 1 11 . 1 1 78 78 ILE H H 78 7.740 7.740 7.597 0.143 19007 5933 1 11 . 1 1 79 79 ALA N N 79 116.940 116.940 124.174 -7.234 19007 5934 1 11 . 1 1 79 79 ALA HA H 79 4.229 4.229 3.946 0.283 19007 5935 1 11 . 1 1 79 79 ALA C C 79 178.719 178.719 179.037 -0.318 19007 5936 1 11 . 1 1 79 79 ALA CA C 79 53.390 53.390 55.464 -2.074 19007 5937 1 11 . 1 1 79 79 ALA CB C 79 18.500 18.500 17.960 0.540 19007 5938 1 11 . 1 1 79 79 ALA H H 79 8.210 8.210 8.716 -0.506 19007 5939 1 11 . 1 1 80 80 SER N N 80 113.260 113.260 112.311 0.949 19007 5940 1 11 . 1 1 80 80 SER HA H 80 4.253 4.253 4.296 -0.043 19007 5941 1 11 . 1 1 80 80 SER C C 80 174.869 174.869 174.733 0.136 19007 5942 1 11 . 1 1 80 80 SER CA C 80 60.550 60.550 60.373 0.177 19007 5943 1 11 . 1 1 80 80 SER CB C 80 63.130 63.130 63.469 -0.339 19007 5944 1 11 . 1 1 80 80 SER H H 80 7.600 7.600 7.707 -0.107 19007 5945 1 11 . 1 1 81 81 LYS N N 81 123.510 123.510 117.472 6.038 19007 5946 1 11 . 1 1 81 81 LYS HA H 81 4.527 4.527 4.573 -0.046 19007 5947 1 11 . 1 1 81 81 LYS C C 81 176.289 176.289 174.907 1.382 19007 5948 1 11 . 1 1 81 81 LYS CA C 81 54.000 54.000 55.259 -1.259 19007 5949 1 11 . 1 1 81 81 LYS CB C 81 30.440 30.440 32.632 -2.192 19007 5950 1 11 . 1 1 81 81 LYS H H 81 7.690 7.690 7.749 -0.059 19007 5951 1 11 . 1 1 82 82 LYS N N 82 120.760 120.760 122.175 -1.415 19007 5952 1 11 . 1 1 82 82 LYS HA H 82 4.539 4.539 4.142 0.397 19007 5953 1 11 . 1 1 82 82 LYS C C 82 176.835 176.835 175.635 1.200 19007 5954 1 11 . 1 1 82 82 LYS CA C 82 59.090 59.090 57.083 2.007 19007 5955 1 11 . 1 1 82 82 LYS CB C 82 32.330 32.330 30.764 1.566 19007 5956 1 11 . 1 1 82 82 LYS H H 82 8.190 8.190 7.712 0.478 19007 5957 1 11 . 1 1 83 83 ASP N N 83 117.280 117.280 123.860 -6.580 19007 5958 1 11 . 1 1 83 83 ASP HA H 83 4.659 4.659 4.506 0.153 19007 5959 1 11 . 1 1 83 83 ASP C C 83 174.460 174.460 175.860 -1.400 19007 5960 1 11 . 1 1 83 83 ASP CA C 83 55.390 55.390 55.637 -0.247 19007 5961 1 11 . 1 1 83 83 ASP CB C 83 40.680 40.680 41.495 -0.815 19007 5962 1 11 . 1 1 83 83 ASP H H 83 8.670 8.670 8.339 0.331 19007 5963 1 11 . 1 1 84 84 LEU N N 84 117.780 117.780 118.909 -1.129 19007 5964 1 11 . 1 1 84 84 LEU HA H 84 5.100 5.100 4.239 0.861 19007 5965 1 11 . 1 1 84 84 LEU C C 84 176.753 176.753 176.939 -0.186 19007 5966 1 11 . 1 1 84 84 LEU CA C 84 54.560 54.560 54.067 0.493 19007 5967 1 11 . 1 1 84 84 LEU CB C 84 43.690 43.690 42.185 1.505 19007 5968 1 11 . 1 1 84 84 LEU H H 84 7.640 7.640 7.482 0.158 19007 5969 1 11 . 1 1 85 85 PHE N N 85 117.610 117.610 120.599 -2.989 19007 5970 1 11 . 1 1 85 85 PHE HA H 85 4.754 4.754 4.400 0.354 19007 5971 1 11 . 1 1 85 85 PHE C C 85 173.204 173.204 174.763 -1.559 19007 5972 1 11 . 1 1 85 85 PHE CA C 85 56.400 56.400 57.891 -1.491 19007 5973 1 11 . 1 1 85 85 PHE CB C 85 42.000 42.000 37.431 4.569 19007 5974 1 11 . 1 1 85 85 PHE H H 85 8.280 8.280 8.295 -0.015 19007 5975 1 11 . 1 1 86 86 VAL N N 86 123.600 123.600 122.808 0.792 19007 5976 1 11 . 1 1 86 86 VAL HA H 86 3.882 3.882 4.730 -0.848 19007 5977 1 11 . 1 1 86 86 VAL C C 86 174.651 174.651 174.895 -0.244 19007 5978 1 11 . 1 1 86 86 VAL CA C 86 63.640 63.640 60.643 2.997 19007 5979 1 11 . 1 1 86 86 VAL CB C 86 31.440 31.440 33.002 -1.562 19007 5980 1 11 . 1 1 86 86 VAL H H 86 8.880 8.880 7.667 1.213 19007 5981 1 11 . 1 1 87 87 HIS N N 87 130.690 130.690 128.364 2.326 19007 5982 1 11 . 1 1 87 87 HIS HA H 87 4.420 4.420 4.921 -0.501 19007 5983 1 11 . 1 1 87 87 HIS C C 87 175.497 175.497 173.739 1.758 19007 5984 1 11 . 1 1 87 87 HIS CA C 87 58.090 58.090 55.296 2.794 19007 5985 1 11 . 1 1 87 87 HIS CB C 87 32.870 32.870 32.992 -0.122 19007 5986 1 11 . 1 1 87 87 HIS H H 87 9.320 9.320 8.990 0.330 19007 5987 1 11 . 1 1 88 88 SER N N 88 109.280 109.280 120.279 -10.999 19007 5988 1 11 . 1 1 88 88 SER HA H 88 4.503 4.503 5.420 -0.917 19007 5989 1 11 . 1 1 88 88 SER C C 88 172.248 172.248 173.067 -0.819 19007 5990 1 11 . 1 1 88 88 SER CA C 88 57.560 57.560 57.303 0.257 19007 5991 1 11 . 1 1 88 88 SER CB C 88 64.890 64.890 65.483 -0.593 19007 5992 1 11 . 1 1 88 88 SER H H 88 7.370 7.370 8.683 -1.313 19007 5993 1 11 . 1 1 89 89 ILE N N 89 122.260 122.260 124.021 -1.761 19007 5994 1 11 . 1 1 89 89 ILE HA H 89 4.265 4.265 4.479 -0.214 19007 5995 1 11 . 1 1 89 89 ILE C C 89 174.569 174.569 172.943 1.626 19007 5996 1 11 . 1 1 89 89 ILE CA C 89 61.110 61.110 60.561 0.549 19007 5997 1 11 . 1 1 89 89 ILE CB C 89 39.960 39.960 41.109 -1.149 19007 5998 1 11 . 1 1 89 89 ILE H H 89 8.400 8.400 9.129 -0.729 19007 5999 1 11 . 1 1 90 90 ASP N N 90 126.690 126.690 125.543 1.147 19007 6000 1 11 . 1 1 90 90 ASP HA H 90 5.064 5.064 5.524 -0.460 19007 6001 1 11 . 1 1 90 90 ASP C C 90 174.469 174.469 175.167 -0.698 19007 6002 1 11 . 1 1 90 90 ASP CA C 90 53.600 53.600 52.150 1.450 19007 6003 1 11 . 1 1 90 90 ASP CB C 90 44.230 44.230 43.399 0.831 19007 6004 1 11 . 1 1 90 90 ASP H H 90 8.800 8.800 8.455 0.345 19007 6005 1 11 . 1 1 91 91 SER N N 91 116.760 116.760 113.710 3.050 19007 6006 1 11 . 1 1 91 91 SER HA H 91 4.781 4.781 4.802 -0.021 19007 6007 1 11 . 1 1 91 91 SER C C 91 173.164 173.164 173.576 -0.412 19007 6008 1 11 . 1 1 91 91 SER CA C 91 57.430 57.430 57.268 0.162 19007 6009 1 11 . 1 1 91 91 SER CB C 91 65.250 65.250 63.169 2.081 19007 6010 1 11 . 1 1 91 91 SER H H 91 8.500 8.500 8.391 0.109 19007 6011 1 11 . 1 1 92 92 GLU N N 92 123.420 123.420 120.524 2.896 19007 6012 1 11 . 1 1 92 92 GLU HA H 92 4.355 4.355 4.224 0.131 19007 6013 1 11 . 1 1 92 92 GLU C C 92 176.419 176.419 175.557 0.862 19007 6014 1 11 . 1 1 92 92 GLU CA C 92 56.250 56.250 56.109 0.141 19007 6015 1 11 . 1 1 92 92 GLU CB C 92 30.730 30.730 30.431 0.299 19007 6016 1 11 . 1 1 92 92 GLU H H 92 8.620 8.620 8.038 0.582 19007 6017 1 11 . 1 1 93 93 VAL N N 93 122.090 122.090 119.775 2.315 19007 6018 1 11 . 1 1 93 93 VAL HA H 93 4.105 4.105 4.262 -0.157 19007 6019 1 11 . 1 1 93 93 VAL CA C 93 62.240 62.240 61.146 1.094 19007 6020 1 11 . 1 1 93 93 VAL CB C 93 32.860 32.860 33.381 -0.521 19007 6021 1 11 . 1 1 93 93 VAL H H 93 8.220 8.220 8.505 -0.285 19007 6022 1 11 . 1 1 96 96 LYS HA H 96 4.079 4.079 4.437 -0.358 19007 6023 1 11 . 1 1 96 96 LYS C C 96 176.053 176.053 176.191 -0.138 19007 6024 1 11 . 1 1 96 96 LYS CA C 96 62.497 62.497 56.472 6.025 19007 6025 1 11 . 1 1 96 96 LYS CB C 96 32.776 32.776 31.568 1.208 19007 6026 1 11 . 1 1 97 97 LYS N N 97 126.170 126.170 125.427 0.743 19007 6027 1 11 . 1 1 97 97 LYS HA H 97 4.300 4.300 4.355 -0.055 19007 6028 1 11 . 1 1 97 97 LYS C C 97 176.665 176.665 175.258 1.407 19007 6029 1 11 . 1 1 97 97 LYS CA C 97 56.730 56.730 56.231 0.499 19007 6030 1 11 . 1 1 97 97 LYS CB C 97 33.020 33.020 35.387 -2.367 19007 6031 1 11 . 1 1 97 97 LYS H H 97 8.500 8.500 8.311 0.189 19007 6032 1 11 . 1 1 98 98 GLU N N 98 122.020 122.020 124.018 -1.998 19007 6033 1 11 . 1 1 98 98 GLU HA H 98 4.226 4.226 4.386 -0.160 19007 6034 1 11 . 1 1 98 98 GLU C C 98 176.382 176.382 176.087 0.295 19007 6035 1 11 . 1 1 98 98 GLU CA C 98 56.890 56.890 56.155 0.735 19007 6036 1 11 . 1 1 98 98 GLU CB C 98 30.410 30.410 29.413 0.997 19007 6037 1 11 . 1 1 98 98 GLU H H 98 8.470 8.470 8.769 -0.299 19007 6038 1 11 . 1 1 99 99 ALA N N 99 124.770 124.770 129.904 -5.134 19007 6039 1 11 . 1 1 99 99 ALA HA H 99 4.281 4.281 4.388 -0.107 19007 6040 1 11 . 1 1 99 99 ALA C C 99 177.723 177.723 176.606 1.117 19007 6041 1 11 . 1 1 99 99 ALA CA C 99 52.880 52.880 51.495 1.385 19007 6042 1 11 . 1 1 99 99 ALA CB C 99 19.320 19.320 18.163 1.157 19007 6043 1 11 . 1 1 99 99 ALA H H 99 8.310 8.310 8.671 -0.361 19007 6044 1 11 . 1 1 100 100 GLN N N 100 119.190 119.190 120.925 -1.735 19007 6045 1 11 . 1 1 100 100 GLN HA H 100 4.266 4.266 4.244 0.022 19007 6046 1 11 . 1 1 100 100 GLN CA C 100 56.000 56.000 55.638 0.362 19007 6047 1 11 . 1 1 100 100 GLN CB C 100 29.970 29.970 29.613 0.357 19007 6048 1 11 . 1 1 100 100 GLN H H 100 8.280 8.280 7.823 0.457 19007 6049 1 11 . 1 1 101 101 GLN N N 101 120.421 120.421 127.180 -6.759 19007 6050 1 11 . 1 1 101 101 GLN HA H 101 4.650 4.650 4.368 0.282 19007 6051 1 11 . 1 1 101 101 GLN C C 101 175.725 175.725 174.961 0.764 19007 6052 1 11 . 1 1 101 101 GLN CA C 101 56.073 56.073 55.547 0.526 19007 6053 1 11 . 1 1 101 101 GLN CB C 101 29.524 29.524 28.076 1.448 19007 6054 1 11 . 1 1 101 101 GLN H H 101 8.114 8.114 8.644 -0.530 19007 6055 1 11 . 1 1 102 102 ILE N N 102 122.940 122.940 124.669 -1.729 19007 6056 1 11 . 1 1 102 102 ILE HA H 102 4.119 4.119 4.413 -0.294 19007 6057 1 11 . 1 1 102 102 ILE C C 102 175.916 175.916 174.729 1.187 19007 6058 1 11 . 1 1 102 102 ILE CA C 102 61.260 61.260 61.179 0.081 19007 6059 1 11 . 1 1 102 102 ILE CB C 102 38.790 38.790 39.664 -0.874 19007 6060 1 11 . 1 1 102 102 ILE H H 102 8.240 8.240 7.842 0.398 19007 6061 1 11 . 1 1 103 103 ARG N N 103 125.780 125.780 126.976 -1.196 19007 6062 1 11 . 1 1 103 103 ARG HA H 103 4.369 4.369 4.582 -0.213 19007 6063 1 11 . 1 1 103 103 ARG C C 103 175.752 175.752 175.967 -0.215 19007 6064 1 11 . 1 1 103 103 ARG CA C 103 55.940 55.940 56.065 -0.125 19007 6065 1 11 . 1 1 103 103 ARG CB C 103 31.340 31.340 31.588 -0.248 19007 6066 1 11 . 1 1 103 103 ARG H H 103 8.400 8.400 8.559 -0.159 19007 6067 1 11 . 1 1 104 104 GLU N N 104 123.840 123.840 122.849 0.991 19007 6068 1 11 . 1 1 104 104 GLU HA H 104 4.296 4.296 4.270 0.026 19007 6069 1 11 . 1 1 104 104 GLU C C 104 175.314 175.314 176.446 -1.132 19007 6070 1 11 . 1 1 104 104 GLU CA C 104 56.430 56.430 57.198 -0.768 19007 6071 1 11 . 1 1 104 104 GLU CB C 104 30.560 30.560 30.180 0.380 19007 6072 1 11 . 1 1 104 104 GLU H H 104 8.510 8.510 8.800 -0.290 19007 6073 1 12 . 1 1 6 6 THR HA H 6 4.321 4.321 4.362 -0.041 19007 6074 1 12 . 1 1 6 6 THR C C 6 174.339 174.339 174.004 0.335 19007 6075 1 12 . 1 1 6 6 THR CA C 6 62.139 62.139 62.941 -0.802 19007 6076 1 12 . 1 1 6 6 THR CB C 6 69.788 69.788 69.516 0.272 19007 6077 1 12 . 1 1 7 7 LYS N N 7 124.350 124.350 119.648 4.702 19007 6078 1 12 . 1 1 7 7 LYS HA H 7 4.265 4.265 4.562 -0.297 19007 6079 1 12 . 1 1 7 7 LYS C C 7 176.341 176.341 174.143 2.198 19007 6080 1 12 . 1 1 7 7 LYS CA C 7 56.980 56.980 55.596 1.384 19007 6081 1 12 . 1 1 7 7 LYS CB C 7 33.110 33.110 34.552 -1.442 19007 6082 1 12 . 1 1 7 7 LYS H H 7 8.320 8.320 7.813 0.507 19007 6083 1 12 . 1 1 8 8 LYS N N 8 123.170 123.170 118.607 4.563 19007 6084 1 12 . 1 1 8 8 LYS HA H 8 4.253 4.253 4.587 -0.334 19007 6085 1 12 . 1 1 8 8 LYS C C 8 176.083 176.083 176.128 -0.045 19007 6086 1 12 . 1 1 8 8 LYS CA C 8 56.450 56.450 55.650 0.800 19007 6087 1 12 . 1 1 8 8 LYS CB C 8 33.480 33.480 34.864 -1.384 19007 6088 1 12 . 1 1 8 8 LYS H H 8 8.340 8.340 8.163 0.177 19007 6089 1 12 . 1 1 9 9 GLN N N 9 123.010 123.010 119.017 3.993 19007 6090 1 12 . 1 1 9 9 GLN HA H 9 4.289 4.289 4.404 -0.115 19007 6091 1 12 . 1 1 9 9 GLN C C 9 174.914 174.914 175.537 -0.623 19007 6092 1 12 . 1 1 9 9 GLN CA C 9 56.520 56.520 57.095 -0.575 19007 6093 1 12 . 1 1 9 9 GLN CB C 9 30.790 30.790 29.158 1.632 19007 6094 1 12 . 1 1 9 9 GLN H H 9 8.440 8.440 8.667 -0.227 19007 6095 1 12 . 1 1 10 10 GLN N N 10 121.180 121.180 119.007 2.173 19007 6096 1 12 . 1 1 10 10 GLN HA H 10 4.769 4.769 4.167 0.602 19007 6097 1 12 . 1 1 10 10 GLN C C 10 175.865 175.865 174.561 1.304 19007 6098 1 12 . 1 1 10 10 GLN CA C 10 55.580 55.580 54.915 0.665 19007 6099 1 12 . 1 1 10 10 GLN CB C 10 29.630 29.630 30.690 -1.060 19007 6100 1 12 . 1 1 10 10 GLN H H 10 8.170 8.170 7.774 0.396 19007 6101 1 12 . 1 1 11 11 TYR N N 11 120.110 120.110 115.425 4.685 19007 6102 1 12 . 1 1 11 11 TYR HA H 11 4.769 4.769 4.906 -0.137 19007 6103 1 12 . 1 1 11 11 TYR C C 11 174.319 174.319 173.378 0.941 19007 6104 1 12 . 1 1 11 11 TYR CA C 11 58.490 58.490 56.488 2.002 19007 6105 1 12 . 1 1 11 11 TYR CB C 11 39.350 39.350 40.281 -0.931 19007 6106 1 12 . 1 1 11 11 TYR H H 11 8.470 8.470 7.546 0.924 19007 6107 1 12 . 1 1 12 12 VAL N N 12 117.030 117.030 122.177 -5.147 19007 6108 1 12 . 1 1 12 12 VAL HA H 12 4.793 4.793 5.190 -0.397 19007 6109 1 12 . 1 1 12 12 VAL C C 12 174.636 174.636 174.687 -0.051 19007 6110 1 12 . 1 1 12 12 VAL CA C 12 60.730 60.730 60.950 -0.220 19007 6111 1 12 . 1 1 12 12 VAL CB C 12 34.790 34.790 34.851 -0.061 19007 6112 1 12 . 1 1 12 12 VAL H H 12 7.590 7.590 8.405 -0.815 19007 6113 1 12 . 1 1 13 13 THR N N 13 121.770 121.770 123.294 -1.524 19007 6114 1 12 . 1 1 13 13 THR HA H 13 4.615 4.615 4.792 -0.177 19007 6115 1 12 . 1 1 13 13 THR C C 13 173.030 173.030 172.710 0.320 19007 6116 1 12 . 1 1 13 13 THR CA C 13 61.540 61.540 61.204 0.336 19007 6117 1 12 . 1 1 13 13 THR CB C 13 71.050 71.050 71.102 -0.052 19007 6118 1 12 . 1 1 13 13 THR H H 13 8.620 8.620 8.786 -0.166 19007 6119 1 12 . 1 1 14 14 ILE N N 14 126.190 126.190 128.659 -2.469 19007 6120 1 12 . 1 1 14 14 ILE HA H 14 4.781 4.781 4.455 0.326 19007 6121 1 12 . 1 1 14 14 ILE C C 14 175.112 175.112 174.781 0.331 19007 6122 1 12 . 1 1 14 14 ILE CA C 14 61.120 61.120 60.785 0.335 19007 6123 1 12 . 1 1 14 14 ILE CB C 14 40.340 40.340 39.199 1.141 19007 6124 1 12 . 1 1 14 14 ILE H H 14 8.890 8.890 8.718 0.172 19007 6125 1 12 . 1 1 15 15 LYS N N 15 127.020 127.020 128.536 -1.516 19007 6126 1 12 . 1 1 15 15 LYS HA H 15 4.734 4.734 4.689 0.045 19007 6127 1 12 . 1 1 15 15 LYS C C 15 175.409 175.409 175.876 -0.467 19007 6128 1 12 . 1 1 15 15 LYS CA C 15 54.740 54.740 54.932 -0.192 19007 6129 1 12 . 1 1 15 15 LYS CB C 15 35.430 35.430 31.886 3.544 19007 6130 1 12 . 1 1 15 15 LYS H H 15 8.850 8.850 8.929 -0.079 19007 6131 1 12 . 1 1 16 16 GLY N N 16 112.120 112.120 110.586 1.534 19007 6132 1 12 . 1 1 16 16 GLY C C 16 172.566 172.566 173.133 -0.567 19007 6133 1 12 . 1 1 16 16 GLY CA C 16 45.560 45.560 44.534 1.026 19007 6134 1 12 . 1 1 16 16 GLY H H 16 8.870 8.870 7.738 1.132 19007 6135 1 12 . 1 1 17 17 THR N N 17 114.520 114.520 111.908 2.612 19007 6136 1 12 . 1 1 17 17 THR HA H 17 4.753 4.753 4.411 0.342 19007 6137 1 12 . 1 1 17 17 THR CA C 17 60.360 60.360 60.907 -0.547 19007 6138 1 12 . 1 1 17 17 THR CB C 17 72.040 72.040 69.628 2.412 19007 6139 1 12 . 1 1 17 17 THR H H 17 8.380 8.380 7.263 1.117 19007 6140 1 12 . 1 1 19 19 ASN HA H 19 4.778 4.778 4.808 -0.030 19007 6141 1 12 . 1 1 19 19 ASN C C 19 174.616 174.616 175.218 -0.602 19007 6142 1 12 . 1 1 19 19 ASN CA C 19 53.700 53.700 52.124 1.576 19007 6143 1 12 . 1 1 19 19 ASN CB C 19 39.018 39.018 39.652 -0.634 19007 6144 1 12 . 1 1 20 20 GLY N N 20 108.600 108.600 108.470 0.130 19007 6145 1 12 . 1 1 20 20 GLY C C 20 172.297 172.297 174.329 -2.032 19007 6146 1 12 . 1 1 20 20 GLY CA C 20 46.310 46.310 46.323 -0.013 19007 6147 1 12 . 1 1 20 20 GLY H H 20 7.590 7.590 8.629 -1.039 19007 6148 1 12 . 1 1 21 21 LEU N N 21 123.210 123.210 121.249 1.961 19007 6149 1 12 . 1 1 21 21 LEU HA H 21 5.015 5.015 4.613 0.402 19007 6150 1 12 . 1 1 21 21 LEU C C 21 176.202 176.202 174.574 1.628 19007 6151 1 12 . 1 1 21 21 LEU CA C 21 54.090 54.090 55.605 -1.515 19007 6152 1 12 . 1 1 21 21 LEU CB C 21 45.940 45.940 43.984 1.956 19007 6153 1 12 . 1 1 21 21 LEU H H 21 8.760 8.760 8.241 0.519 19007 6154 1 12 . 1 1 22 22 THR N N 22 120.430 120.430 123.331 -2.901 19007 6155 1 12 . 1 1 22 22 THR HA H 22 5.191 5.191 4.840 0.351 19007 6156 1 12 . 1 1 22 22 THR C C 22 172.852 172.852 173.686 -0.834 19007 6157 1 12 . 1 1 22 22 THR CA C 22 61.850 61.850 62.239 -0.389 19007 6158 1 12 . 1 1 22 22 THR CB C 22 69.800 69.800 68.433 1.367 19007 6159 1 12 . 1 1 22 22 THR H H 22 9.150 9.150 8.564 0.586 19007 6160 1 12 . 1 1 23 23 LEU N N 23 127.110 127.110 124.095 3.015 19007 6161 1 12 . 1 1 23 23 LEU HA H 23 4.910 4.910 5.689 -0.779 19007 6162 1 12 . 1 1 23 23 LEU C C 23 174.200 174.200 174.805 -0.605 19007 6163 1 12 . 1 1 23 23 LEU CA C 23 52.770 52.770 52.978 -0.208 19007 6164 1 12 . 1 1 23 23 LEU CB C 23 44.220 44.220 45.755 -1.535 19007 6165 1 12 . 1 1 23 23 LEU H H 23 8.870 8.870 8.847 0.023 19007 6166 1 12 . 1 1 24 24 HIS N N 24 124.600 124.600 120.076 4.524 19007 6167 1 12 . 1 1 24 24 HIS HA H 24 4.875 4.875 5.784 -0.909 19007 6168 1 12 . 1 1 24 24 HIS C C 24 174.033 174.033 173.084 0.949 19007 6169 1 12 . 1 1 24 24 HIS CA C 24 56.000 56.000 55.453 0.547 19007 6170 1 12 . 1 1 24 24 HIS CB C 24 30.400 30.400 34.120 -3.720 19007 6171 1 12 . 1 1 24 24 HIS H H 24 9.160 9.160 9.035 0.125 19007 6172 1 12 . 1 1 25 25 LEU N N 25 125.950 125.950 125.561 0.389 19007 6173 1 12 . 1 1 25 25 LEU HA H 25 4.382 4.382 5.165 -0.783 19007 6174 1 12 . 1 1 25 25 LEU C C 25 175.806 175.806 174.106 1.700 19007 6175 1 12 . 1 1 25 25 LEU CA C 25 53.250 53.250 53.594 -0.344 19007 6176 1 12 . 1 1 25 25 LEU CB C 25 41.030 41.030 46.770 -5.740 19007 6177 1 12 . 1 1 25 25 LEU H H 25 8.420 8.420 7.768 0.652 19007 6178 1 12 . 1 1 26 26 ASP N N 26 126.170 126.170 124.796 1.374 19007 6179 1 12 . 1 1 26 26 ASP HA H 26 4.344 4.344 5.007 -0.663 19007 6180 1 12 . 1 1 26 26 ASP C C 26 176.302 176.302 173.917 2.385 19007 6181 1 12 . 1 1 26 26 ASP CA C 26 56.480 56.480 53.559 2.921 19007 6182 1 12 . 1 1 26 26 ASP CB C 26 43.880 43.880 42.028 1.852 19007 6183 1 12 . 1 1 26 26 ASP H H 26 8.630 8.630 8.027 0.603 19007 6184 1 12 . 1 1 27 27 ASP N N 27 122.430 122.430 121.183 1.247 19007 6185 1 12 . 1 1 27 27 ASP HA H 27 4.540 4.540 4.801 -0.261 19007 6186 1 12 . 1 1 27 27 ASP C C 27 176.381 176.381 173.200 3.181 19007 6187 1 12 . 1 1 27 27 ASP CA C 27 54.060 54.060 53.056 1.004 19007 6188 1 12 . 1 1 27 27 ASP CB C 27 40.820 40.820 44.998 -4.178 19007 6189 1 12 . 1 1 27 27 ASP H H 27 8.150 8.150 7.764 0.386 19007 6190 1 12 . 1 1 28 28 ALA N N 28 123.520 123.520 122.618 0.902 19007 6191 1 12 . 1 1 28 28 ALA HA H 28 4.600 4.600 4.648 -0.048 19007 6192 1 12 . 1 1 28 28 ALA C C 28 178.324 178.324 176.167 2.157 19007 6193 1 12 . 1 1 28 28 ALA CA C 28 52.860 52.860 51.217 1.643 19007 6194 1 12 . 1 1 28 28 ALA CB C 28 20.790 20.790 21.364 -0.574 19007 6195 1 12 . 1 1 28 28 ALA H H 28 8.480 8.480 8.252 0.228 19007 6196 1 12 . 1 1 29 29 CYS N N 29 115.580 115.580 117.419 -1.839 19007 6197 1 12 . 1 1 29 29 CYS HA H 29 4.680 4.680 4.075 0.605 19007 6198 1 12 . 1 1 29 29 CYS C C 29 174.696 174.696 174.095 0.601 19007 6199 1 12 . 1 1 29 29 CYS CA C 29 56.060 56.060 59.882 -3.822 19007 6200 1 12 . 1 1 29 29 CYS CB C 29 29.050 29.050 26.321 2.729 19007 6201 1 12 . 1 1 29 29 CYS H H 29 7.510 7.510 8.908 -1.398 19007 6202 1 12 . 1 1 30 30 SER N N 30 119.090 119.090 113.446 5.644 19007 6203 1 12 . 1 1 30 30 SER HA H 30 4.500 4.500 4.658 -0.158 19007 6204 1 12 . 1 1 30 30 SER CA C 30 58.370 58.370 56.579 1.791 19007 6205 1 12 . 1 1 30 30 SER CB C 30 64.170 64.170 65.572 -1.402 19007 6206 1 12 . 1 1 30 30 SER H H 30 9.170 9.170 7.605 1.565 19007 6207 1 12 . 1 1 31 31 PHE HA H 31 4.041 4.041 4.769 -0.728 19007 6208 1 12 . 1 1 31 31 PHE C C 31 176.440 176.440 175.464 0.976 19007 6209 1 12 . 1 1 31 31 PHE CA C 31 62.491 62.491 56.084 6.407 19007 6210 1 12 . 1 1 31 31 PHE CB C 31 39.018 39.018 39.636 -0.618 19007 6211 1 12 . 1 1 32 32 ASP N N 32 116.020 116.020 123.600 -7.580 19007 6212 1 12 . 1 1 32 32 ASP HA H 32 4.139 4.139 4.632 -0.493 19007 6213 1 12 . 1 1 32 32 ASP C C 32 178.978 178.978 176.458 2.520 19007 6214 1 12 . 1 1 32 32 ASP CA C 32 57.670 57.670 53.904 3.766 19007 6215 1 12 . 1 1 32 32 ASP CB C 32 40.290 40.290 40.825 -0.535 19007 6216 1 12 . 1 1 32 32 ASP H H 32 8.370 8.370 8.971 -0.601 19007 6217 1 12 . 1 1 33 33 GLU N N 33 120.170 120.170 119.272 0.898 19007 6218 1 12 . 1 1 33 33 GLU HA H 33 4.149 4.149 4.344 -0.195 19007 6219 1 12 . 1 1 33 33 GLU C C 33 179.256 179.256 178.123 1.133 19007 6220 1 12 . 1 1 33 33 GLU CA C 33 58.810 58.810 58.739 0.071 19007 6221 1 12 . 1 1 33 33 GLU CB C 33 29.510 29.510 29.226 0.284 19007 6222 1 12 . 1 1 33 33 GLU H H 33 7.560 7.560 8.729 -1.169 19007 6223 1 12 . 1 1 34 34 LEU N N 34 121.930 121.930 119.395 2.535 19007 6224 1 12 . 1 1 34 34 LEU HA H 34 3.755 3.755 4.218 -0.463 19007 6225 1 12 . 1 1 34 34 LEU C C 34 178.205 178.205 179.030 -0.825 19007 6226 1 12 . 1 1 34 34 LEU CA C 34 57.910 57.910 57.029 0.881 19007 6227 1 12 . 1 1 34 34 LEU CB C 34 41.980 41.980 40.810 1.169 19007 6228 1 12 . 1 1 34 34 LEU H H 34 7.730 7.730 8.038 -0.308 19007 6229 1 12 . 1 1 35 35 LEU N N 35 118.190 118.190 121.078 -2.888 19007 6230 1 12 . 1 1 35 35 LEU HA H 35 3.575 3.575 4.037 -0.462 19007 6231 1 12 . 1 1 35 35 LEU C C 35 179.295 179.295 178.274 1.021 19007 6232 1 12 . 1 1 35 35 LEU CA C 35 57.990 57.990 58.054 -0.064 19007 6233 1 12 . 1 1 35 35 LEU CB C 35 40.900 40.900 42.133 -1.233 19007 6234 1 12 . 1 1 35 35 LEU H H 35 7.880 7.880 7.822 0.058 19007 6235 1 12 . 1 1 36 36 ASP N N 36 118.760 118.760 119.599 -0.839 19007 6236 1 12 . 1 1 36 36 ASP HA H 36 4.308 4.308 4.306 0.002 19007 6237 1 12 . 1 1 36 36 ASP C C 36 178.819 178.819 178.798 0.021 19007 6238 1 12 . 1 1 36 36 ASP CA C 36 57.570 57.570 57.825 -0.255 19007 6239 1 12 . 1 1 36 36 ASP CB C 36 41.500 41.500 40.156 1.345 19007 6240 1 12 . 1 1 36 36 ASP H H 36 7.580 7.580 8.169 -0.589 19007 6241 1 12 . 1 1 37 37 GLY N N 37 107.520 107.520 108.537 -1.017 19007 6242 1 12 . 1 1 37 37 GLY C C 37 176.678 176.678 176.352 0.326 19007 6243 1 12 . 1 1 37 37 GLY CA C 37 47.340 47.340 47.077 0.264 19007 6244 1 12 . 1 1 37 37 GLY H H 37 8.210 8.210 8.368 -0.158 19007 6245 1 12 . 1 1 38 38 LEU N N 38 123.680 123.680 122.411 1.269 19007 6246 1 12 . 1 1 38 38 LEU HA H 38 4.007 4.007 4.204 -0.197 19007 6247 1 12 . 1 1 38 38 LEU C C 38 177.769 177.769 178.844 -1.075 19007 6248 1 12 . 1 1 38 38 LEU CA C 38 57.970 57.970 56.711 1.259 19007 6249 1 12 . 1 1 38 38 LEU CB C 38 42.250 42.250 40.796 1.454 19007 6250 1 12 . 1 1 38 38 LEU H H 38 8.800 8.800 7.535 1.265 19007 6251 1 12 . 1 1 39 39 GLN N N 39 118.840 118.840 120.377 -1.537 19007 6252 1 12 . 1 1 39 39 GLN HA H 39 3.887 3.887 3.947 -0.060 19007 6253 1 12 . 1 1 39 39 GLN C C 39 178.443 178.443 178.311 0.132 19007 6254 1 12 . 1 1 39 39 GLN CA C 39 59.450 59.450 59.455 -0.005 19007 6255 1 12 . 1 1 39 39 GLN CB C 39 28.400 28.400 28.364 0.036 19007 6256 1 12 . 1 1 39 39 GLN H H 39 8.460 8.460 8.436 0.024 19007 6257 1 12 . 1 1 40 40 ASN N N 40 116.110 116.110 119.231 -3.121 19007 6258 1 12 . 1 1 40 40 ASN HA H 40 4.488 4.488 4.541 -0.053 19007 6259 1 12 . 1 1 40 40 ASN C C 40 177.491 177.491 177.751 -0.260 19007 6260 1 12 . 1 1 40 40 ASN CA C 40 56.330 56.330 56.128 0.202 19007 6261 1 12 . 1 1 40 40 ASN CB C 40 39.230 39.230 38.683 0.547 19007 6262 1 12 . 1 1 40 40 ASN H H 40 7.810 7.810 8.041 -0.231 19007 6263 1 12 . 1 1 41 41 MET N N 41 119.840 119.840 120.847 -1.007 19007 6264 1 12 . 1 1 41 41 MET HA H 41 4.344 4.344 4.161 0.183 19007 6265 1 12 . 1 1 41 41 MET C C 41 177.551 177.551 178.266 -0.715 19007 6266 1 12 . 1 1 41 41 MET CA C 41 58.140 58.140 59.308 -1.168 19007 6267 1 12 . 1 1 41 41 MET CB C 41 32.600 32.600 32.906 -0.306 19007 6268 1 12 . 1 1 41 41 MET H H 41 8.060 8.060 7.957 0.103 19007 6269 1 12 . 1 1 42 42 LEU N N 42 116.680 116.680 118.217 -1.537 19007 6270 1 12 . 1 1 42 42 LEU HA H 42 4.236 4.236 3.980 0.256 19007 6271 1 12 . 1 1 42 42 LEU C C 42 177.055 177.055 178.875 -1.820 19007 6272 1 12 . 1 1 42 42 LEU CA C 42 55.850 55.850 57.882 -2.031 19007 6273 1 12 . 1 1 42 42 LEU CB C 42 41.490 41.490 41.577 -0.086 19007 6274 1 12 . 1 1 42 42 LEU H H 42 8.280 8.280 8.538 -0.258 19007 6275 1 12 . 1 1 43 43 SER N N 43 113.420 113.420 114.709 -1.289 19007 6276 1 12 . 1 1 43 43 SER HA H 43 4.452 4.452 4.210 0.242 19007 6277 1 12 . 1 1 43 43 SER C C 43 174.755 174.755 175.656 -0.901 19007 6278 1 12 . 1 1 43 43 SER CA C 43 59.340 59.340 61.280 -1.940 19007 6279 1 12 . 1 1 43 43 SER CB C 43 63.580 63.580 63.213 0.367 19007 6280 1 12 . 1 1 43 43 SER H H 43 7.650 7.650 7.711 -0.061 19007 6281 1 12 . 1 1 44 44 ILE N N 44 120.390 120.390 120.229 0.161 19007 6282 1 12 . 1 1 44 44 ILE HA H 44 4.188 4.188 3.947 0.241 19007 6283 1 12 . 1 1 44 44 ILE C C 44 176.440 176.440 177.031 -0.591 19007 6284 1 12 . 1 1 44 44 ILE CA C 44 61.500 61.500 63.379 -1.879 19007 6285 1 12 . 1 1 44 44 ILE CB C 44 38.640 38.640 38.224 0.416 19007 6286 1 12 . 1 1 44 44 ILE H H 44 7.590 7.590 7.464 0.126 19007 6287 1 12 . 1 1 45 45 GLU N N 45 118.850 118.850 119.203 -0.353 19007 6288 1 12 . 1 1 45 45 GLU HA H 45 4.272 4.272 4.183 0.089 19007 6289 1 12 . 1 1 45 45 GLU C C 45 176.698 176.698 176.992 -0.294 19007 6290 1 12 . 1 1 45 45 GLU CA C 45 61.950 61.950 58.361 3.589 19007 6291 1 12 . 1 1 45 45 GLU CB C 45 29.840 29.840 30.753 -0.913 19007 6292 1 12 . 1 1 45 45 GLU H H 45 8.200 8.200 7.718 0.482 19007 6293 1 12 . 1 1 46 46 GLN N N 46 118.260 118.260 117.905 0.355 19007 6294 1 12 . 1 1 46 46 GLN HA H 46 4.212 4.212 4.574 -0.362 19007 6295 1 12 . 1 1 46 46 GLN C C 46 176.361 176.361 174.055 2.306 19007 6296 1 12 . 1 1 46 46 GLN CA C 46 56.770 56.770 55.367 1.403 19007 6297 1 12 . 1 1 46 46 GLN CB C 46 28.920 28.920 30.235 -1.315 19007 6298 1 12 . 1 1 46 46 GLN H H 46 8.270 8.270 8.321 -0.051 19007 6299 1 12 . 1 1 47 47 TYR N N 47 117.690 117.690 120.518 -2.828 19007 6300 1 12 . 1 1 47 47 TYR HA H 47 4.701 4.701 4.954 -0.253 19007 6301 1 12 . 1 1 47 47 TYR C C 47 175.588 175.588 174.001 1.587 19007 6302 1 12 . 1 1 47 47 TYR CA C 47 58.290 58.290 56.383 1.907 19007 6303 1 12 . 1 1 47 47 TYR CB C 47 39.250 39.250 38.945 0.305 19007 6304 1 12 . 1 1 47 47 TYR H H 47 7.980 7.980 8.287 -0.307 19007 6305 1 12 . 1 1 48 48 THR N N 48 108.930 108.930 116.761 -7.831 19007 6306 1 12 . 1 1 48 48 THR HA H 48 4.464 4.464 4.230 0.234 19007 6307 1 12 . 1 1 48 48 THR C C 48 176.381 176.381 173.580 2.801 19007 6308 1 12 . 1 1 48 48 THR CA C 48 61.150 61.150 61.372 -0.222 19007 6309 1 12 . 1 1 48 48 THR CB C 48 70.190 70.190 69.554 0.636 19007 6310 1 12 . 1 1 48 48 THR H H 48 7.570 7.570 7.532 0.038 19007 6311 1 12 . 1 1 49 49 ASP N N 49 121.350 121.350 125.441 -4.091 19007 6312 1 12 . 1 1 49 49 ASP HA H 49 4.752 4.752 4.755 -0.003 19007 6313 1 12 . 1 1 49 49 ASP C C 49 177.015 177.015 176.677 0.338 19007 6314 1 12 . 1 1 49 49 ASP CA C 49 53.710 53.710 52.689 1.021 19007 6315 1 12 . 1 1 49 49 ASP CB C 49 41.200 41.200 43.737 -2.537 19007 6316 1 12 . 1 1 49 49 ASP H H 49 8.100 8.100 8.269 -0.169 19007 6317 1 12 . 1 1 50 50 GLY N N 50 112.360 112.360 110.072 2.288 19007 6318 1 12 . 1 1 50 50 GLY C C 50 175.449 175.449 175.393 0.056 19007 6319 1 12 . 1 1 50 50 GLY CA C 50 46.000 46.000 46.365 -0.365 19007 6320 1 12 . 1 1 50 50 GLY H H 50 9.080 9.080 8.607 0.473 19007 6321 1 12 . 1 1 51 51 LYS N N 51 119.510 119.510 120.148 -0.638 19007 6322 1 12 . 1 1 51 51 LYS HA H 51 4.200 4.200 4.286 -0.086 19007 6323 1 12 . 1 1 51 51 LYS C C 51 177.214 177.214 176.905 0.309 19007 6324 1 12 . 1 1 51 51 LYS CA C 51 56.540 56.540 56.635 -0.095 19007 6325 1 12 . 1 1 51 51 LYS CB C 51 31.420 31.420 33.481 -2.061 19007 6326 1 12 . 1 1 51 51 LYS H H 51 8.590 8.590 8.212 0.378 19007 6327 1 12 . 1 1 52 52 GLY N N 52 108.180 108.180 108.283 -0.103 19007 6328 1 12 . 1 1 52 52 GLY C C 52 174.279 174.279 172.983 1.296 19007 6329 1 12 . 1 1 52 52 GLY CA C 52 45.450 45.450 45.211 0.239 19007 6330 1 12 . 1 1 52 52 GLY H H 52 8.670 8.670 8.639 0.031 19007 6331 1 12 . 1 1 53 53 GLN N N 53 120.010 120.010 122.492 -2.482 19007 6332 1 12 . 1 1 53 53 GLN HA H 53 4.440 4.440 4.149 0.291 19007 6333 1 12 . 1 1 53 53 GLN C C 53 175.001 175.001 175.081 -0.080 19007 6334 1 12 . 1 1 53 53 GLN CA C 53 54.580 54.580 56.016 -1.436 19007 6335 1 12 . 1 1 53 53 GLN CB C 53 30.330 30.330 28.247 2.083 19007 6336 1 12 . 1 1 53 53 GLN H H 53 7.860 7.860 8.537 -0.677 19007 6337 1 12 . 1 1 54 54 LYS N N 54 120.420 120.420 127.982 -7.562 19007 6338 1 12 . 1 1 54 54 LYS HA H 54 4.704 4.704 4.831 -0.127 19007 6339 1 12 . 1 1 54 54 LYS C C 54 176.753 176.753 175.649 1.104 19007 6340 1 12 . 1 1 54 54 LYS CA C 54 55.830 55.830 55.640 0.190 19007 6341 1 12 . 1 1 54 54 LYS CB C 54 33.850 33.850 33.143 0.707 19007 6342 1 12 . 1 1 54 54 LYS H H 54 8.250 8.250 8.454 -0.204 19007 6343 1 12 . 1 1 55 55 ILE N N 55 125.360 125.360 130.303 -4.943 19007 6344 1 12 . 1 1 55 55 ILE HA H 55 4.169 4.169 4.576 -0.407 19007 6345 1 12 . 1 1 55 55 ILE C C 55 174.405 174.405 174.677 -0.272 19007 6346 1 12 . 1 1 55 55 ILE CA C 55 60.350 60.350 60.666 -0.316 19007 6347 1 12 . 1 1 55 55 ILE CB C 55 39.690 39.690 37.781 1.909 19007 6348 1 12 . 1 1 55 55 ILE H H 55 9.050 9.050 9.010 0.040 19007 6349 1 12 . 1 1 56 56 SER N N 56 121.850 121.850 124.488 -2.638 19007 6350 1 12 . 1 1 56 56 SER HA H 56 4.480 4.480 5.212 -0.732 19007 6351 1 12 . 1 1 56 56 SER C C 56 174.105 174.105 173.625 0.480 19007 6352 1 12 . 1 1 56 56 SER CA C 56 57.410 57.410 56.721 0.689 19007 6353 1 12 . 1 1 56 56 SER CB C 56 64.080 64.080 63.533 0.547 19007 6354 1 12 . 1 1 56 56 SER H H 56 8.330 8.330 8.546 -0.216 19007 6355 1 12 . 1 1 57 57 VAL N N 57 123.190 123.190 127.182 -3.992 19007 6356 1 12 . 1 1 57 57 VAL HA H 57 4.861 4.861 4.320 0.541 19007 6357 1 12 . 1 1 57 57 VAL C C 57 174.869 174.869 174.283 0.586 19007 6358 1 12 . 1 1 57 57 VAL CA C 57 61.130 61.130 61.515 -0.385 19007 6359 1 12 . 1 1 57 57 VAL CB C 57 33.600 33.600 30.298 3.302 19007 6360 1 12 . 1 1 57 57 VAL H H 57 8.680 8.680 8.549 0.131 19007 6361 1 12 . 1 1 58 58 HIS N N 58 129.590 129.590 127.225 2.365 19007 6362 1 12 . 1 1 58 58 HIS HA H 58 5.076 5.076 5.365 -0.289 19007 6363 1 12 . 1 1 58 58 HIS C C 58 174.351 174.351 174.293 0.058 19007 6364 1 12 . 1 1 58 58 HIS CA C 58 54.420 54.420 54.205 0.215 19007 6365 1 12 . 1 1 58 58 HIS CB C 58 31.720 31.720 31.004 0.716 19007 6366 1 12 . 1 1 58 58 HIS H H 58 9.050 9.050 8.195 0.855 19007 6367 1 12 . 1 1 59 59 VAL N N 59 125.260 125.260 126.762 -1.502 19007 6368 1 12 . 1 1 59 59 VAL HA H 59 4.408 4.408 4.128 0.280 19007 6369 1 12 . 1 1 59 59 VAL C C 59 174.460 174.460 174.316 0.144 19007 6370 1 12 . 1 1 59 59 VAL CA C 59 62.370 62.370 61.626 0.744 19007 6371 1 12 . 1 1 59 59 VAL CB C 59 32.760 32.760 31.132 1.628 19007 6372 1 12 . 1 1 59 59 VAL H H 59 8.800 8.800 8.409 0.391 19007 6373 1 12 . 1 1 60 60 LYS N N 60 128.520 128.520 128.125 0.395 19007 6374 1 12 . 1 1 60 60 LYS HA H 60 4.909 4.909 4.373 0.536 19007 6375 1 12 . 1 1 60 60 LYS C C 60 175.825 175.825 175.887 -0.062 19007 6376 1 12 . 1 1 60 60 LYS CA C 60 54.450 54.450 55.921 -1.471 19007 6377 1 12 . 1 1 60 60 LYS CB C 60 32.490 32.490 31.075 1.415 19007 6378 1 12 . 1 1 60 60 LYS H H 60 9.040 9.040 7.796 1.244 19007 6379 1 12 . 1 1 61 61 LEU N N 61 121.430 121.430 122.649 -1.219 19007 6380 1 12 . 1 1 61 61 LEU HA H 61 4.527 4.527 5.302 -0.775 19007 6381 1 12 . 1 1 61 61 LEU C C 61 178.910 178.910 178.581 0.329 19007 6382 1 12 . 1 1 61 61 LEU CA C 61 54.410 54.410 55.051 -0.641 19007 6383 1 12 . 1 1 61 61 LEU CB C 61 44.330 44.330 43.070 1.260 19007 6384 1 12 . 1 1 61 61 LEU H H 61 8.700 8.700 7.976 0.724 19007 6385 1 12 . 1 1 62 62 GLY N N 62 110.520 110.520 104.468 6.052 19007 6386 1 12 . 1 1 62 62 GLY C C 62 175.350 175.350 173.628 1.722 19007 6387 1 12 . 1 1 62 62 GLY CA C 62 46.710 46.710 45.586 1.124 19007 6388 1 12 . 1 1 62 62 GLY H H 62 9.060 9.060 8.570 0.490 19007 6389 1 12 . 1 1 63 63 ASN N N 63 127.090 127.090 119.975 7.115 19007 6390 1 12 . 1 1 63 63 ASN HA H 63 4.778 4.778 4.911 -0.133 19007 6391 1 12 . 1 1 63 63 ASN C C 63 174.214 174.214 176.035 -1.821 19007 6392 1 12 . 1 1 63 63 ASN CA C 63 52.910 52.910 52.825 0.085 19007 6393 1 12 . 1 1 63 63 ASN CB C 63 38.100 38.100 38.367 -0.267 19007 6394 1 12 . 1 1 63 63 ASN H H 63 10.390 10.390 8.531 1.859 19007 6395 1 12 . 1 1 64 64 ARG N N 64 121.850 121.850 121.101 0.749 19007 6396 1 12 . 1 1 64 64 ARG HA H 64 4.265 4.265 4.222 0.043 19007 6397 1 12 . 1 1 64 64 ARG C C 64 174.214 174.214 176.539 -2.325 19007 6398 1 12 . 1 1 64 64 ARG CA C 64 56.330 56.330 57.053 -0.723 19007 6399 1 12 . 1 1 64 64 ARG CB C 64 33.860 33.860 30.542 3.318 19007 6400 1 12 . 1 1 64 64 ARG H H 64 7.520 7.520 8.134 -0.614 19007 6401 1 12 . 1 1 65 65 PHE N N 65 127.760 127.760 118.505 9.255 19007 6402 1 12 . 1 1 65 65 PHE HA H 65 4.503 4.503 4.120 0.383 19007 6403 1 12 . 1 1 65 65 PHE C C 65 176.508 176.508 173.962 2.546 19007 6404 1 12 . 1 1 65 65 PHE CA C 65 56.760 56.760 58.194 -1.434 19007 6405 1 12 . 1 1 65 65 PHE CB C 65 40.430 40.430 37.969 2.461 19007 6406 1 12 . 1 1 65 65 PHE H H 65 8.580 8.580 8.153 0.427 19007 6407 1 12 . 1 1 66 66 LEU N N 66 125.260 125.260 125.745 -0.485 19007 6408 1 12 . 1 1 66 66 LEU HA H 66 4.288 4.288 4.132 0.156 19007 6409 1 12 . 1 1 66 66 LEU C C 66 176.508 176.508 176.258 0.250 19007 6410 1 12 . 1 1 66 66 LEU CA C 66 53.080 53.080 54.092 -1.012 19007 6411 1 12 . 1 1 66 66 LEU CB C 66 43.170 43.170 43.605 -0.435 19007 6412 1 12 . 1 1 66 66 LEU H H 66 8.040 8.040 8.065 -0.025 19007 6413 1 12 . 1 1 67 67 TYR N N 67 120.480 120.480 124.174 -3.694 19007 6414 1 12 . 1 1 67 67 TYR HA H 67 4.515 4.515 4.369 0.146 19007 6415 1 12 . 1 1 67 67 TYR C C 67 177.791 177.791 176.569 1.222 19007 6416 1 12 . 1 1 67 67 TYR CA C 67 58.120 58.120 57.440 0.680 19007 6417 1 12 . 1 1 67 67 TYR CB C 67 39.320 39.320 36.110 3.210 19007 6418 1 12 . 1 1 67 67 TYR H H 67 7.880 7.880 8.388 -0.508 19007 6419 1 12 . 1 1 68 68 LYS N N 68 125.020 125.020 124.418 0.602 19007 6420 1 12 . 1 1 68 68 LYS HA H 68 4.034 4.034 3.784 0.250 19007 6421 1 12 . 1 1 68 68 LYS C C 68 178.364 178.364 177.845 0.519 19007 6422 1 12 . 1 1 68 68 LYS CA C 68 60.130 60.130 60.169 -0.039 19007 6423 1 12 . 1 1 68 68 LYS CB C 68 32.150 32.150 32.430 -0.280 19007 6424 1 12 . 1 1 68 68 LYS H H 68 9.120 9.120 7.604 1.516 19007 6425 1 12 . 1 1 69 69 GLU N N 69 116.430 116.430 116.973 -0.543 19007 6426 1 12 . 1 1 69 69 GLU HA H 69 4.133 4.133 4.073 0.060 19007 6427 1 12 . 1 1 69 69 GLU C C 69 179.538 179.538 179.166 0.372 19007 6428 1 12 . 1 1 69 69 GLU CA C 69 60.030 60.030 59.471 0.559 19007 6429 1 12 . 1 1 69 69 GLU CB C 69 28.560 28.560 28.584 -0.024 19007 6430 1 12 . 1 1 69 69 GLU H H 69 9.460 9.460 8.781 0.679 19007 6431 1 12 . 1 1 70 70 GLN N N 70 117.670 117.670 118.525 -0.855 19007 6432 1 12 . 1 1 70 70 GLN HA H 70 4.120 4.120 4.140 -0.020 19007 6433 1 12 . 1 1 70 70 GLN C C 70 177.955 177.955 178.475 -0.520 19007 6434 1 12 . 1 1 70 70 GLN CA C 70 57.950 57.950 58.602 -0.652 19007 6435 1 12 . 1 1 70 70 GLN CB C 70 29.290 29.290 29.040 0.250 19007 6436 1 12 . 1 1 70 70 GLN H H 70 7.000 7.000 7.907 -0.907 19007 6437 1 12 . 1 1 71 71 GLU N N 71 120.850 120.850 118.849 2.001 19007 6438 1 12 . 1 1 71 71 GLU HA H 71 3.668 3.668 4.091 -0.423 19007 6439 1 12 . 1 1 71 71 GLU C C 71 179.429 179.429 179.361 0.068 19007 6440 1 12 . 1 1 71 71 GLU CA C 71 60.620 60.620 58.399 2.221 19007 6441 1 12 . 1 1 71 71 GLU CB C 71 29.660 29.660 29.034 0.626 19007 6442 1 12 . 1 1 71 71 GLU H H 71 8.080 8.080 7.657 0.423 19007 6443 1 12 . 1 1 72 72 GLU N N 72 119.670 119.670 120.340 -0.670 19007 6444 1 12 . 1 1 72 72 GLU HA H 72 4.038 4.038 3.937 0.101 19007 6445 1 12 . 1 1 72 72 GLU C C 72 178.446 178.446 178.331 0.115 19007 6446 1 12 . 1 1 72 72 GLU CA C 72 59.690 59.690 59.990 -0.300 19007 6447 1 12 . 1 1 72 72 GLU CB C 72 29.350 29.350 29.300 0.050 19007 6448 1 12 . 1 1 72 72 GLU H H 72 8.390 8.390 8.673 -0.283 19007 6449 1 12 . 1 1 73 73 GLN N N 73 119.030 119.030 117.195 1.835 19007 6450 1 12 . 1 1 73 73 GLN HA H 73 4.110 4.110 4.084 0.026 19007 6451 1 12 . 1 1 73 73 GLN C C 73 179.320 179.320 177.168 2.152 19007 6452 1 12 . 1 1 73 73 GLN CA C 73 59.470 59.470 58.547 0.923 19007 6453 1 12 . 1 1 73 73 GLN CB C 73 29.480 29.480 28.238 1.242 19007 6454 1 12 . 1 1 73 73 GLN H H 73 7.730 7.730 8.031 -0.301 19007 6455 1 12 . 1 1 74 74 LEU N N 74 119.760 119.760 113.707 6.053 19007 6456 1 12 . 1 1 74 74 LEU HA H 74 3.918 3.918 4.567 -0.649 19007 6457 1 12 . 1 1 74 74 LEU C C 74 177.818 177.818 178.870 -1.052 19007 6458 1 12 . 1 1 74 74 LEU CA C 74 58.720 58.720 56.737 1.983 19007 6459 1 12 . 1 1 74 74 LEU CB C 74 42.890 42.890 42.062 0.828 19007 6460 1 12 . 1 1 74 74 LEU H H 74 8.290 8.290 7.182 1.108 19007 6461 1 12 . 1 1 75 75 THR N N 75 113.520 113.520 117.448 -3.928 19007 6462 1 12 . 1 1 75 75 THR HA H 75 3.680 3.680 3.974 -0.294 19007 6463 1 12 . 1 1 75 75 THR C C 75 176.480 176.480 176.296 0.184 19007 6464 1 12 . 1 1 75 75 THR CA C 75 66.990 66.990 67.681 -0.691 19007 6465 1 12 . 1 1 75 75 THR CB C 75 68.640 68.640 68.186 0.454 19007 6466 1 12 . 1 1 75 75 THR H H 75 8.450 8.450 8.748 -0.298 19007 6467 1 12 . 1 1 76 76 GLU N N 76 121.340 121.340 120.448 0.892 19007 6468 1 12 . 1 1 76 76 GLU HA H 76 4.014 4.014 4.075 -0.061 19007 6469 1 12 . 1 1 76 76 GLU C C 76 178.965 178.965 178.425 0.540 19007 6470 1 12 . 1 1 76 76 GLU CA C 76 59.190 59.190 58.486 0.704 19007 6471 1 12 . 1 1 76 76 GLU CB C 76 29.590 29.590 28.949 0.641 19007 6472 1 12 . 1 1 76 76 GLU H H 76 8.330 8.330 8.005 0.325 19007 6473 1 12 . 1 1 77 77 LEU N N 77 120.170 120.170 118.844 1.326 19007 6474 1 12 . 1 1 77 77 LEU HA H 77 3.955 3.955 4.136 -0.181 19007 6475 1 12 . 1 1 77 77 LEU C C 77 180.057 180.057 178.989 1.068 19007 6476 1 12 . 1 1 77 77 LEU CA C 77 58.510 58.510 57.853 0.657 19007 6477 1 12 . 1 1 77 77 LEU CB C 77 42.716 42.716 42.324 0.392 19007 6478 1 12 . 1 1 77 77 LEU H H 77 7.560 7.560 7.490 0.070 19007 6479 1 12 . 1 1 78 78 ILE N N 78 119.930 119.930 119.104 0.826 19007 6480 1 12 . 1 1 78 78 ILE HA H 78 3.429 3.429 3.794 -0.365 19007 6481 1 12 . 1 1 78 78 ILE C C 78 176.043 176.043 177.630 -1.587 19007 6482 1 12 . 1 1 78 78 ILE CA C 78 65.740 65.740 63.661 2.079 19007 6483 1 12 . 1 1 78 78 ILE CB C 78 37.960 37.960 37.350 0.610 19007 6484 1 12 . 1 1 78 78 ILE H H 78 7.740 7.740 7.452 0.288 19007 6485 1 12 . 1 1 79 79 ALA N N 79 116.940 116.940 123.283 -6.343 19007 6486 1 12 . 1 1 79 79 ALA HA H 79 4.229 4.229 3.992 0.237 19007 6487 1 12 . 1 1 79 79 ALA C C 79 178.719 178.719 179.444 -0.725 19007 6488 1 12 . 1 1 79 79 ALA CA C 79 53.390 53.390 55.294 -1.904 19007 6489 1 12 . 1 1 79 79 ALA CB C 79 18.500 18.500 17.724 0.776 19007 6490 1 12 . 1 1 79 79 ALA H H 79 8.210 8.210 8.561 -0.351 19007 6491 1 12 . 1 1 80 80 SER N N 80 113.260 113.260 113.204 0.056 19007 6492 1 12 . 1 1 80 80 SER HA H 80 4.253 4.253 4.248 0.005 19007 6493 1 12 . 1 1 80 80 SER C C 80 174.869 174.869 175.112 -0.243 19007 6494 1 12 . 1 1 80 80 SER CA C 80 60.550 60.550 60.232 0.318 19007 6495 1 12 . 1 1 80 80 SER CB C 80 63.130 63.130 63.388 -0.258 19007 6496 1 12 . 1 1 80 80 SER H H 80 7.600 7.600 8.064 -0.464 19007 6497 1 12 . 1 1 81 81 LYS N N 81 123.510 123.510 117.317 6.193 19007 6498 1 12 . 1 1 81 81 LYS HA H 81 4.527 4.527 4.620 -0.093 19007 6499 1 12 . 1 1 81 81 LYS C C 81 176.289 176.289 175.295 0.994 19007 6500 1 12 . 1 1 81 81 LYS CA C 81 54.000 54.000 55.475 -1.475 19007 6501 1 12 . 1 1 81 81 LYS CB C 81 30.440 30.440 32.229 -1.789 19007 6502 1 12 . 1 1 81 81 LYS H H 81 7.690 7.690 7.975 -0.285 19007 6503 1 12 . 1 1 82 82 LYS N N 82 120.760 120.760 121.123 -0.363 19007 6504 1 12 . 1 1 82 82 LYS HA H 82 4.539 4.539 4.257 0.282 19007 6505 1 12 . 1 1 82 82 LYS C C 82 176.835 176.835 175.741 1.094 19007 6506 1 12 . 1 1 82 82 LYS CA C 82 59.090 59.090 56.840 2.250 19007 6507 1 12 . 1 1 82 82 LYS CB C 82 32.330 32.330 30.601 1.729 19007 6508 1 12 . 1 1 82 82 LYS H H 82 8.190 8.190 7.705 0.485 19007 6509 1 12 . 1 1 83 83 ASP N N 83 117.280 117.280 120.322 -3.042 19007 6510 1 12 . 1 1 83 83 ASP HA H 83 4.659 4.659 4.492 0.167 19007 6511 1 12 . 1 1 83 83 ASP C C 83 174.460 174.460 176.367 -1.907 19007 6512 1 12 . 1 1 83 83 ASP CA C 83 55.390 55.390 55.293 0.097 19007 6513 1 12 . 1 1 83 83 ASP CB C 83 40.680 40.680 41.428 -0.748 19007 6514 1 12 . 1 1 83 83 ASP H H 83 8.670 8.670 8.155 0.515 19007 6515 1 12 . 1 1 84 84 LEU N N 84 117.780 117.780 119.080 -1.300 19007 6516 1 12 . 1 1 84 84 LEU HA H 84 5.100 5.100 4.050 1.050 19007 6517 1 12 . 1 1 84 84 LEU C C 84 176.753 176.753 178.134 -1.381 19007 6518 1 12 . 1 1 84 84 LEU CA C 84 54.560 54.560 54.082 0.478 19007 6519 1 12 . 1 1 84 84 LEU CB C 84 43.690 43.690 41.835 1.855 19007 6520 1 12 . 1 1 84 84 LEU H H 84 7.640 7.640 7.430 0.210 19007 6521 1 12 . 1 1 85 85 PHE N N 85 117.610 117.610 119.967 -2.357 19007 6522 1 12 . 1 1 85 85 PHE HA H 85 4.754 4.754 4.610 0.144 19007 6523 1 12 . 1 1 85 85 PHE C C 85 173.204 173.204 174.559 -1.355 19007 6524 1 12 . 1 1 85 85 PHE CA C 85 56.400 56.400 57.034 -0.634 19007 6525 1 12 . 1 1 85 85 PHE CB C 85 42.000 42.000 36.893 5.107 19007 6526 1 12 . 1 1 85 85 PHE H H 85 8.280 8.280 7.993 0.287 19007 6527 1 12 . 1 1 86 86 VAL N N 86 123.600 123.600 121.897 1.703 19007 6528 1 12 . 1 1 86 86 VAL HA H 86 3.882 3.882 4.943 -1.061 19007 6529 1 12 . 1 1 86 86 VAL C C 86 174.651 174.651 175.547 -0.896 19007 6530 1 12 . 1 1 86 86 VAL CA C 86 63.640 63.640 60.872 2.768 19007 6531 1 12 . 1 1 86 86 VAL CB C 86 31.440 31.440 33.235 -1.795 19007 6532 1 12 . 1 1 86 86 VAL H H 86 8.880 8.880 7.898 0.982 19007 6533 1 12 . 1 1 87 87 HIS N N 87 130.690 130.690 128.382 2.308 19007 6534 1 12 . 1 1 87 87 HIS HA H 87 4.420 4.420 4.883 -0.463 19007 6535 1 12 . 1 1 87 87 HIS C C 87 175.497 175.497 173.722 1.775 19007 6536 1 12 . 1 1 87 87 HIS CA C 87 58.090 58.090 55.638 2.452 19007 6537 1 12 . 1 1 87 87 HIS CB C 87 32.870 32.870 32.188 0.682 19007 6538 1 12 . 1 1 87 87 HIS H H 87 9.320 9.320 9.292 0.028 19007 6539 1 12 . 1 1 88 88 SER N N 88 109.280 109.280 121.682 -12.402 19007 6540 1 12 . 1 1 88 88 SER HA H 88 4.503 4.503 5.390 -0.887 19007 6541 1 12 . 1 1 88 88 SER C C 88 172.248 172.248 173.212 -0.964 19007 6542 1 12 . 1 1 88 88 SER CA C 88 57.560 57.560 57.679 -0.119 19007 6543 1 12 . 1 1 88 88 SER CB C 88 64.890 64.890 64.702 0.188 19007 6544 1 12 . 1 1 88 88 SER H H 88 7.370 7.370 8.653 -1.283 19007 6545 1 12 . 1 1 89 89 ILE N N 89 122.260 122.260 125.308 -3.048 19007 6546 1 12 . 1 1 89 89 ILE HA H 89 4.265 4.265 4.409 -0.144 19007 6547 1 12 . 1 1 89 89 ILE C C 89 174.569 174.569 173.492 1.077 19007 6548 1 12 . 1 1 89 89 ILE CA C 89 61.110 61.110 60.454 0.656 19007 6549 1 12 . 1 1 89 89 ILE CB C 89 39.960 39.960 41.114 -1.154 19007 6550 1 12 . 1 1 89 89 ILE H H 89 8.400 8.400 8.892 -0.492 19007 6551 1 12 . 1 1 90 90 ASP N N 90 126.690 126.690 126.476 0.214 19007 6552 1 12 . 1 1 90 90 ASP HA H 90 5.064 5.064 5.439 -0.375 19007 6553 1 12 . 1 1 90 90 ASP C C 90 174.469 174.469 175.321 -0.852 19007 6554 1 12 . 1 1 90 90 ASP CA C 90 53.600 53.600 52.319 1.281 19007 6555 1 12 . 1 1 90 90 ASP CB C 90 44.230 44.230 43.479 0.751 19007 6556 1 12 . 1 1 90 90 ASP H H 90 8.800 8.800 8.194 0.606 19007 6557 1 12 . 1 1 91 91 SER N N 91 116.760 116.760 115.580 1.180 19007 6558 1 12 . 1 1 91 91 SER HA H 91 4.781 4.781 4.828 -0.047 19007 6559 1 12 . 1 1 91 91 SER C C 91 173.164 173.164 173.367 -0.203 19007 6560 1 12 . 1 1 91 91 SER CA C 91 57.430 57.430 57.457 -0.027 19007 6561 1 12 . 1 1 91 91 SER CB C 91 65.250 65.250 63.203 2.047 19007 6562 1 12 . 1 1 91 91 SER H H 91 8.500 8.500 8.157 0.343 19007 6563 1 12 . 1 1 92 92 GLU N N 92 123.420 123.420 124.186 -0.766 19007 6564 1 12 . 1 1 92 92 GLU HA H 92 4.355 4.355 4.664 -0.309 19007 6565 1 12 . 1 1 92 92 GLU C C 92 176.419 176.419 175.228 1.191 19007 6566 1 12 . 1 1 92 92 GLU CA C 92 56.250 56.250 54.479 1.771 19007 6567 1 12 . 1 1 92 92 GLU CB C 92 30.730 30.730 31.467 -0.737 19007 6568 1 12 . 1 1 92 92 GLU H H 92 8.620 8.620 8.004 0.616 19007 6569 1 12 . 1 1 93 93 VAL N N 93 122.090 122.090 119.822 2.268 19007 6570 1 12 . 1 1 93 93 VAL HA H 93 4.105 4.105 4.380 -0.275 19007 6571 1 12 . 1 1 93 93 VAL CA C 93 62.240 62.240 60.256 1.984 19007 6572 1 12 . 1 1 93 93 VAL CB C 93 32.860 32.860 34.045 -1.185 19007 6573 1 12 . 1 1 93 93 VAL H H 93 8.220 8.220 8.294 -0.074 19007 6574 1 12 . 1 1 96 96 LYS HA H 96 4.079 4.079 4.659 -0.580 19007 6575 1 12 . 1 1 96 96 LYS C C 96 176.053 176.053 174.573 1.480 19007 6576 1 12 . 1 1 96 96 LYS CA C 96 62.497 62.497 55.344 7.153 19007 6577 1 12 . 1 1 96 96 LYS CB C 96 32.776 32.776 33.925 -1.149 19007 6578 1 12 . 1 1 97 97 LYS N N 97 126.170 126.170 119.334 6.836 19007 6579 1 12 . 1 1 97 97 LYS HA H 97 4.300 4.300 4.585 -0.285 19007 6580 1 12 . 1 1 97 97 LYS C C 97 176.665 176.665 176.117 0.548 19007 6581 1 12 . 1 1 97 97 LYS CA C 97 56.730 56.730 55.337 1.393 19007 6582 1 12 . 1 1 97 97 LYS CB C 97 33.020 33.020 34.511 -1.492 19007 6583 1 12 . 1 1 97 97 LYS H H 97 8.500 8.500 8.298 0.202 19007 6584 1 12 . 1 1 98 98 GLU N N 98 122.020 122.020 120.887 1.133 19007 6585 1 12 . 1 1 98 98 GLU HA H 98 4.226 4.226 4.344 -0.118 19007 6586 1 12 . 1 1 98 98 GLU C C 98 176.382 176.382 175.707 0.675 19007 6587 1 12 . 1 1 98 98 GLU CA C 98 56.890 56.890 56.084 0.806 19007 6588 1 12 . 1 1 98 98 GLU CB C 98 30.410 30.410 27.752 2.659 19007 6589 1 12 . 1 1 98 98 GLU H H 98 8.470 8.470 8.806 -0.336 19007 6590 1 12 . 1 1 99 99 ALA N N 99 124.770 124.770 123.986 0.784 19007 6591 1 12 . 1 1 99 99 ALA HA H 99 4.281 4.281 4.428 -0.147 19007 6592 1 12 . 1 1 99 99 ALA C C 99 177.723 177.723 176.541 1.182 19007 6593 1 12 . 1 1 99 99 ALA CA C 99 52.880 52.880 51.339 1.541 19007 6594 1 12 . 1 1 99 99 ALA CB C 99 19.320 19.320 18.022 1.298 19007 6595 1 12 . 1 1 99 99 ALA H H 99 8.310 8.310 7.657 0.653 19007 6596 1 12 . 1 1 100 100 GLN N N 100 119.190 119.190 119.919 -0.729 19007 6597 1 12 . 1 1 100 100 GLN HA H 100 4.266 4.266 4.269 -0.003 19007 6598 1 12 . 1 1 100 100 GLN CA C 100 56.000 56.000 55.231 0.769 19007 6599 1 12 . 1 1 100 100 GLN CB C 100 29.970 29.970 29.444 0.526 19007 6600 1 12 . 1 1 100 100 GLN H H 100 8.280 8.280 7.651 0.629 19007 6601 1 12 . 1 1 101 101 GLN N N 101 120.421 120.421 126.711 -6.290 19007 6602 1 12 . 1 1 101 101 GLN HA H 101 4.650 4.650 4.305 0.345 19007 6603 1 12 . 1 1 101 101 GLN C C 101 175.725 175.725 175.420 0.305 19007 6604 1 12 . 1 1 101 101 GLN CA C 101 56.073 56.073 56.478 -0.405 19007 6605 1 12 . 1 1 101 101 GLN CB C 101 29.524 29.524 28.383 1.141 19007 6606 1 12 . 1 1 101 101 GLN H H 101 8.114 8.114 8.692 -0.578 19007 6607 1 12 . 1 1 102 102 ILE N N 102 122.940 122.940 125.381 -2.441 19007 6608 1 12 . 1 1 102 102 ILE HA H 102 4.119 4.119 4.431 -0.312 19007 6609 1 12 . 1 1 102 102 ILE C C 102 175.916 175.916 174.050 1.866 19007 6610 1 12 . 1 1 102 102 ILE CA C 102 61.260 61.260 60.901 0.359 19007 6611 1 12 . 1 1 102 102 ILE CB C 102 38.790 38.790 40.573 -1.783 19007 6612 1 12 . 1 1 102 102 ILE H H 102 8.240 8.240 7.824 0.416 19007 6613 1 12 . 1 1 103 103 ARG N N 103 125.780 125.780 127.725 -1.945 19007 6614 1 12 . 1 1 103 103 ARG HA H 103 4.369 4.369 4.508 -0.139 19007 6615 1 12 . 1 1 103 103 ARG C C 103 175.752 175.752 174.702 1.050 19007 6616 1 12 . 1 1 103 103 ARG CA C 103 55.940 55.940 55.948 -0.008 19007 6617 1 12 . 1 1 103 103 ARG CB C 103 31.340 31.340 31.456 -0.115 19007 6618 1 12 . 1 1 103 103 ARG H H 103 8.400 8.400 8.637 -0.237 19007 6619 1 12 . 1 1 104 104 GLU N N 104 123.840 123.840 126.046 -2.206 19007 6620 1 12 . 1 1 104 104 GLU HA H 104 4.296 4.296 4.471 -0.175 19007 6621 1 12 . 1 1 104 104 GLU C C 104 175.314 175.314 176.293 -0.979 19007 6622 1 12 . 1 1 104 104 GLU CA C 104 56.430 56.430 56.505 -0.075 19007 6623 1 12 . 1 1 104 104 GLU CB C 104 30.560 30.560 29.365 1.195 19007 6624 1 12 . 1 1 104 104 GLU H H 104 8.510 8.510 8.763 -0.253 19007 6625 1 13 . 1 1 6 6 THR HA H 6 4.321 4.321 4.613 -0.292 19007 6626 1 13 . 1 1 6 6 THR C C 6 174.339 174.339 174.160 0.179 19007 6627 1 13 . 1 1 6 6 THR CA C 6 62.139 62.139 60.847 1.292 19007 6628 1 13 . 1 1 6 6 THR CB C 6 69.788 69.788 69.878 -0.090 19007 6629 1 13 . 1 1 7 7 LYS N N 7 124.350 124.350 120.243 4.107 19007 6630 1 13 . 1 1 7 7 LYS HA H 7 4.265 4.265 4.464 -0.199 19007 6631 1 13 . 1 1 7 7 LYS C C 7 176.341 176.341 175.575 0.766 19007 6632 1 13 . 1 1 7 7 LYS CA C 7 56.980 56.980 55.895 1.085 19007 6633 1 13 . 1 1 7 7 LYS CB C 7 33.110 33.110 33.162 -0.052 19007 6634 1 13 . 1 1 7 7 LYS H H 7 8.320 8.320 8.281 0.039 19007 6635 1 13 . 1 1 8 8 LYS N N 8 123.170 123.170 119.756 3.414 19007 6636 1 13 . 1 1 8 8 LYS HA H 8 4.253 4.253 4.440 -0.187 19007 6637 1 13 . 1 1 8 8 LYS C C 8 176.083 176.083 175.452 0.631 19007 6638 1 13 . 1 1 8 8 LYS CA C 8 56.450 56.450 55.287 1.163 19007 6639 1 13 . 1 1 8 8 LYS CB C 8 33.480 33.480 34.673 -1.194 19007 6640 1 13 . 1 1 8 8 LYS H H 8 8.340 8.340 8.323 0.017 19007 6641 1 13 . 1 1 9 9 GLN N N 9 123.010 123.010 118.978 4.032 19007 6642 1 13 . 1 1 9 9 GLN HA H 9 4.289 4.289 4.546 -0.257 19007 6643 1 13 . 1 1 9 9 GLN C C 9 174.914 174.914 175.469 -0.555 19007 6644 1 13 . 1 1 9 9 GLN CA C 9 56.520 56.520 57.407 -0.888 19007 6645 1 13 . 1 1 9 9 GLN CB C 9 30.790 30.790 29.661 1.129 19007 6646 1 13 . 1 1 9 9 GLN H H 9 8.440 8.440 8.618 -0.178 19007 6647 1 13 . 1 1 10 10 GLN N N 10 121.180 121.180 121.161 0.019 19007 6648 1 13 . 1 1 10 10 GLN HA H 10 4.769 4.769 4.510 0.259 19007 6649 1 13 . 1 1 10 10 GLN C C 10 175.865 175.865 174.658 1.207 19007 6650 1 13 . 1 1 10 10 GLN CA C 10 55.580 55.580 55.394 0.186 19007 6651 1 13 . 1 1 10 10 GLN CB C 10 29.630 29.630 29.438 0.192 19007 6652 1 13 . 1 1 10 10 GLN H H 10 8.170 8.170 8.275 -0.105 19007 6653 1 13 . 1 1 11 11 TYR N N 11 120.110 120.110 121.370 -1.260 19007 6654 1 13 . 1 1 11 11 TYR HA H 11 4.769 4.769 4.672 0.097 19007 6655 1 13 . 1 1 11 11 TYR C C 11 174.319 174.319 172.596 1.723 19007 6656 1 13 . 1 1 11 11 TYR CA C 11 58.490 58.490 56.249 2.241 19007 6657 1 13 . 1 1 11 11 TYR CB C 11 39.350 39.350 39.336 0.014 19007 6658 1 13 . 1 1 11 11 TYR H H 11 8.470 8.470 8.148 0.322 19007 6659 1 13 . 1 1 12 12 VAL N N 12 117.030 117.030 120.402 -3.372 19007 6660 1 13 . 1 1 12 12 VAL HA H 12 4.793 4.793 4.783 0.010 19007 6661 1 13 . 1 1 12 12 VAL C C 12 174.636 174.636 174.463 0.173 19007 6662 1 13 . 1 1 12 12 VAL CA C 12 60.730 60.730 60.351 0.379 19007 6663 1 13 . 1 1 12 12 VAL CB C 12 34.790 34.790 34.501 0.289 19007 6664 1 13 . 1 1 12 12 VAL H H 12 7.590 7.590 8.390 -0.800 19007 6665 1 13 . 1 1 13 13 THR N N 13 121.770 121.770 123.161 -1.391 19007 6666 1 13 . 1 1 13 13 THR HA H 13 4.615 4.615 4.684 -0.069 19007 6667 1 13 . 1 1 13 13 THR C C 13 173.030 173.030 172.222 0.808 19007 6668 1 13 . 1 1 13 13 THR CA C 13 61.540 61.540 61.678 -0.138 19007 6669 1 13 . 1 1 13 13 THR CB C 13 71.050 71.050 70.600 0.450 19007 6670 1 13 . 1 1 13 13 THR H H 13 8.620 8.620 8.175 0.445 19007 6671 1 13 . 1 1 14 14 ILE N N 14 126.190 126.190 126.827 -0.637 19007 6672 1 13 . 1 1 14 14 ILE HA H 14 4.781 4.781 4.431 0.350 19007 6673 1 13 . 1 1 14 14 ILE C C 14 175.112 175.112 174.290 0.822 19007 6674 1 13 . 1 1 14 14 ILE CA C 14 61.120 61.120 60.752 0.368 19007 6675 1 13 . 1 1 14 14 ILE CB C 14 40.340 40.340 40.976 -0.636 19007 6676 1 13 . 1 1 14 14 ILE H H 14 8.890 8.890 8.466 0.424 19007 6677 1 13 . 1 1 15 15 LYS N N 15 127.020 127.020 127.907 -0.887 19007 6678 1 13 . 1 1 15 15 LYS HA H 15 4.734 4.734 4.746 -0.012 19007 6679 1 13 . 1 1 15 15 LYS C C 15 175.409 175.409 174.932 0.477 19007 6680 1 13 . 1 1 15 15 LYS CA C 15 54.740 54.740 55.233 -0.493 19007 6681 1 13 . 1 1 15 15 LYS CB C 15 35.430 35.430 34.734 0.696 19007 6682 1 13 . 1 1 15 15 LYS H H 15 8.850 8.850 9.118 -0.268 19007 6683 1 13 . 1 1 16 16 GLY N N 16 112.120 112.120 113.633 -1.513 19007 6684 1 13 . 1 1 16 16 GLY C C 16 172.566 172.566 173.577 -1.011 19007 6685 1 13 . 1 1 16 16 GLY CA C 16 45.560 45.560 45.298 0.262 19007 6686 1 13 . 1 1 16 16 GLY H H 16 8.870 8.870 8.790 0.080 19007 6687 1 13 . 1 1 17 17 THR N N 17 114.520 114.520 112.711 1.809 19007 6688 1 13 . 1 1 17 17 THR HA H 17 4.753 4.753 4.425 0.328 19007 6689 1 13 . 1 1 17 17 THR CA C 17 60.360 60.360 62.073 -1.713 19007 6690 1 13 . 1 1 17 17 THR CB C 17 72.040 72.040 69.715 2.325 19007 6691 1 13 . 1 1 17 17 THR H H 17 8.380 8.380 7.687 0.693 19007 6692 1 13 . 1 1 19 19 ASN HA H 19 4.778 4.778 4.772 0.006 19007 6693 1 13 . 1 1 19 19 ASN C C 19 174.616 174.616 174.993 -0.377 19007 6694 1 13 . 1 1 19 19 ASN CA C 19 53.700 53.700 52.521 1.179 19007 6695 1 13 . 1 1 19 19 ASN CB C 19 39.018 39.018 40.823 -1.805 19007 6696 1 13 . 1 1 20 20 GLY N N 20 108.600 108.600 108.714 -0.114 19007 6697 1 13 . 1 1 20 20 GLY C C 20 172.297 172.297 173.103 -0.806 19007 6698 1 13 . 1 1 20 20 GLY CA C 20 46.310 46.310 45.911 0.399 19007 6699 1 13 . 1 1 20 20 GLY H H 20 7.590 7.590 8.456 -0.866 19007 6700 1 13 . 1 1 21 21 LEU N N 21 123.210 123.210 121.252 1.958 19007 6701 1 13 . 1 1 21 21 LEU HA H 21 5.015 5.015 4.829 0.186 19007 6702 1 13 . 1 1 21 21 LEU C C 21 176.202 176.202 174.579 1.623 19007 6703 1 13 . 1 1 21 21 LEU CA C 21 54.090 54.090 55.191 -1.101 19007 6704 1 13 . 1 1 21 21 LEU CB C 21 45.940 45.940 44.282 1.658 19007 6705 1 13 . 1 1 21 21 LEU H H 21 8.760 8.760 8.370 0.390 19007 6706 1 13 . 1 1 22 22 THR N N 22 120.430 120.430 123.541 -3.111 19007 6707 1 13 . 1 1 22 22 THR HA H 22 5.191 5.191 5.066 0.125 19007 6708 1 13 . 1 1 22 22 THR C C 22 172.852 172.852 173.345 -0.493 19007 6709 1 13 . 1 1 22 22 THR CA C 22 61.850 61.850 61.577 0.273 19007 6710 1 13 . 1 1 22 22 THR CB C 22 69.800 69.800 69.249 0.551 19007 6711 1 13 . 1 1 22 22 THR H H 22 9.150 9.150 9.078 0.072 19007 6712 1 13 . 1 1 23 23 LEU N N 23 127.110 127.110 122.060 5.050 19007 6713 1 13 . 1 1 23 23 LEU HA H 23 4.910 4.910 5.261 -0.351 19007 6714 1 13 . 1 1 23 23 LEU C C 23 174.200 174.200 174.327 -0.127 19007 6715 1 13 . 1 1 23 23 LEU CA C 23 52.770 52.770 53.556 -0.786 19007 6716 1 13 . 1 1 23 23 LEU CB C 23 44.220 44.220 45.871 -1.651 19007 6717 1 13 . 1 1 23 23 LEU H H 23 8.870 8.870 8.604 0.266 19007 6718 1 13 . 1 1 24 24 HIS N N 24 124.600 124.600 122.052 2.548 19007 6719 1 13 . 1 1 24 24 HIS HA H 24 4.875 4.875 5.349 -0.474 19007 6720 1 13 . 1 1 24 24 HIS C C 24 174.033 174.033 172.942 1.091 19007 6721 1 13 . 1 1 24 24 HIS CA C 24 56.000 56.000 54.403 1.597 19007 6722 1 13 . 1 1 24 24 HIS CB C 24 30.400 30.400 33.043 -2.643 19007 6723 1 13 . 1 1 24 24 HIS H H 24 9.160 9.160 8.826 0.334 19007 6724 1 13 . 1 1 25 25 LEU N N 25 125.950 125.950 128.638 -2.688 19007 6725 1 13 . 1 1 25 25 LEU HA H 25 4.382 4.382 4.478 -0.096 19007 6726 1 13 . 1 1 25 25 LEU C C 25 175.806 175.806 174.281 1.525 19007 6727 1 13 . 1 1 25 25 LEU CA C 25 53.250 53.250 53.447 -0.196 19007 6728 1 13 . 1 1 25 25 LEU CB C 25 41.030 41.030 44.530 -3.500 19007 6729 1 13 . 1 1 25 25 LEU H H 25 8.420 8.420 8.739 -0.319 19007 6730 1 13 . 1 1 26 26 ASP N N 26 126.170 126.170 126.581 -0.411 19007 6731 1 13 . 1 1 26 26 ASP HA H 26 4.344 4.344 5.099 -0.755 19007 6732 1 13 . 1 1 26 26 ASP C C 26 176.302 176.302 174.552 1.750 19007 6733 1 13 . 1 1 26 26 ASP CA C 26 56.480 56.480 53.419 3.061 19007 6734 1 13 . 1 1 26 26 ASP CB C 26 43.880 43.880 42.789 1.091 19007 6735 1 13 . 1 1 26 26 ASP H H 26 8.630 8.630 7.975 0.655 19007 6736 1 13 . 1 1 27 27 ASP N N 27 122.430 122.430 123.900 -1.470 19007 6737 1 13 . 1 1 27 27 ASP HA H 27 4.540 4.540 4.883 -0.343 19007 6738 1 13 . 1 1 27 27 ASP C C 27 176.381 176.381 174.011 2.370 19007 6739 1 13 . 1 1 27 27 ASP CA C 27 54.060 54.060 53.498 0.562 19007 6740 1 13 . 1 1 27 27 ASP CB C 27 40.820 40.820 44.635 -3.815 19007 6741 1 13 . 1 1 27 27 ASP H H 27 8.150 8.150 8.563 -0.413 19007 6742 1 13 . 1 1 28 28 ALA N N 28 123.520 123.520 121.406 2.114 19007 6743 1 13 . 1 1 28 28 ALA HA H 28 4.600 4.600 4.902 -0.302 19007 6744 1 13 . 1 1 28 28 ALA C C 28 178.324 178.324 176.456 1.868 19007 6745 1 13 . 1 1 28 28 ALA CA C 28 52.860 52.860 51.642 1.218 19007 6746 1 13 . 1 1 28 28 ALA CB C 28 20.790 20.790 20.703 0.087 19007 6747 1 13 . 1 1 28 28 ALA H H 28 8.480 8.480 8.427 0.053 19007 6748 1 13 . 1 1 29 29 CYS N N 29 115.580 115.580 116.536 -0.956 19007 6749 1 13 . 1 1 29 29 CYS HA H 29 4.680 4.680 4.134 0.546 19007 6750 1 13 . 1 1 29 29 CYS C C 29 174.696 174.696 174.191 0.505 19007 6751 1 13 . 1 1 29 29 CYS CA C 29 56.060 56.060 59.239 -3.179 19007 6752 1 13 . 1 1 29 29 CYS CB C 29 29.050 29.050 24.802 4.248 19007 6753 1 13 . 1 1 29 29 CYS H H 29 7.510 7.510 8.558 -1.048 19007 6754 1 13 . 1 1 30 30 SER N N 30 119.090 119.090 114.675 4.415 19007 6755 1 13 . 1 1 30 30 SER HA H 30 4.500 4.500 4.380 0.120 19007 6756 1 13 . 1 1 30 30 SER CA C 30 58.370 58.370 58.317 0.053 19007 6757 1 13 . 1 1 30 30 SER CB C 30 64.170 64.170 64.658 -0.488 19007 6758 1 13 . 1 1 30 30 SER H H 30 9.170 9.170 7.654 1.516 19007 6759 1 13 . 1 1 31 31 PHE HA H 31 4.041 4.041 4.596 -0.555 19007 6760 1 13 . 1 1 31 31 PHE C C 31 176.440 176.440 176.791 -0.351 19007 6761 1 13 . 1 1 31 31 PHE CA C 31 62.491 62.491 58.176 4.315 19007 6762 1 13 . 1 1 31 31 PHE CB C 31 39.018 39.018 40.595 -1.577 19007 6763 1 13 . 1 1 32 32 ASP N N 32 116.020 116.020 122.112 -6.092 19007 6764 1 13 . 1 1 32 32 ASP HA H 32 4.139 4.139 4.584 -0.445 19007 6765 1 13 . 1 1 32 32 ASP C C 32 178.978 178.978 176.960 2.018 19007 6766 1 13 . 1 1 32 32 ASP CA C 32 57.670 57.670 55.392 2.277 19007 6767 1 13 . 1 1 32 32 ASP CB C 32 40.290 40.290 40.288 0.002 19007 6768 1 13 . 1 1 32 32 ASP H H 32 8.370 8.370 8.933 -0.563 19007 6769 1 13 . 1 1 33 33 GLU N N 33 120.170 120.170 120.183 -0.013 19007 6770 1 13 . 1 1 33 33 GLU HA H 33 4.149 4.149 4.113 0.036 19007 6771 1 13 . 1 1 33 33 GLU C C 33 179.256 179.256 177.854 1.402 19007 6772 1 13 . 1 1 33 33 GLU CA C 33 58.810 58.810 58.957 -0.147 19007 6773 1 13 . 1 1 33 33 GLU CB C 33 29.510 29.510 29.139 0.371 19007 6774 1 13 . 1 1 33 33 GLU H H 33 7.560 7.560 8.804 -1.244 19007 6775 1 13 . 1 1 34 34 LEU N N 34 121.930 121.930 119.302 2.628 19007 6776 1 13 . 1 1 34 34 LEU HA H 34 3.755 3.755 4.409 -0.654 19007 6777 1 13 . 1 1 34 34 LEU C C 34 178.205 178.205 177.423 0.782 19007 6778 1 13 . 1 1 34 34 LEU CA C 34 57.910 57.910 55.171 2.739 19007 6779 1 13 . 1 1 34 34 LEU CB C 34 41.980 41.980 42.138 -0.158 19007 6780 1 13 . 1 1 34 34 LEU H H 34 7.730 7.730 7.955 -0.225 19007 6781 1 13 . 1 1 35 35 LEU N N 35 118.190 118.190 121.772 -3.582 19007 6782 1 13 . 1 1 35 35 LEU HA H 35 3.575 3.575 4.528 -0.953 19007 6783 1 13 . 1 1 35 35 LEU C C 35 179.295 179.295 177.885 1.410 19007 6784 1 13 . 1 1 35 35 LEU CA C 35 57.990 57.990 56.977 1.013 19007 6785 1 13 . 1 1 35 35 LEU CB C 35 40.900 40.900 43.862 -2.962 19007 6786 1 13 . 1 1 35 35 LEU H H 35 7.880 7.880 7.784 0.096 19007 6787 1 13 . 1 1 36 36 ASP N N 36 118.760 118.760 119.794 -1.034 19007 6788 1 13 . 1 1 36 36 ASP HA H 36 4.308 4.308 4.389 -0.081 19007 6789 1 13 . 1 1 36 36 ASP C C 36 178.819 178.819 178.713 0.106 19007 6790 1 13 . 1 1 36 36 ASP CA C 36 57.570 57.570 57.956 -0.386 19007 6791 1 13 . 1 1 36 36 ASP CB C 36 41.500 41.500 40.631 0.869 19007 6792 1 13 . 1 1 36 36 ASP H H 36 7.580 7.580 8.801 -1.221 19007 6793 1 13 . 1 1 37 37 GLY N N 37 107.520 107.520 107.049 0.471 19007 6794 1 13 . 1 1 37 37 GLY C C 37 176.678 176.678 176.491 0.187 19007 6795 1 13 . 1 1 37 37 GLY CA C 37 47.340 47.340 47.186 0.154 19007 6796 1 13 . 1 1 37 37 GLY H H 37 8.210 8.210 7.945 0.265 19007 6797 1 13 . 1 1 38 38 LEU N N 38 123.680 123.680 121.729 1.951 19007 6798 1 13 . 1 1 38 38 LEU HA H 38 4.007 4.007 4.226 -0.219 19007 6799 1 13 . 1 1 38 38 LEU C C 38 177.769 177.769 178.341 -0.572 19007 6800 1 13 . 1 1 38 38 LEU CA C 38 57.970 57.970 56.044 1.926 19007 6801 1 13 . 1 1 38 38 LEU CB C 38 42.250 42.250 41.960 0.290 19007 6802 1 13 . 1 1 38 38 LEU H H 38 8.800 8.800 7.421 1.379 19007 6803 1 13 . 1 1 39 39 GLN N N 39 118.840 118.840 120.537 -1.697 19007 6804 1 13 . 1 1 39 39 GLN HA H 39 3.887 3.887 3.814 0.073 19007 6805 1 13 . 1 1 39 39 GLN C C 39 178.443 178.443 178.085 0.358 19007 6806 1 13 . 1 1 39 39 GLN CA C 39 59.450 59.450 59.890 -0.440 19007 6807 1 13 . 1 1 39 39 GLN CB C 39 28.400 28.400 28.602 -0.202 19007 6808 1 13 . 1 1 39 39 GLN H H 39 8.460 8.460 8.666 -0.206 19007 6809 1 13 . 1 1 40 40 ASN N N 40 116.110 116.110 118.052 -1.942 19007 6810 1 13 . 1 1 40 40 ASN HA H 40 4.488 4.488 4.427 0.061 19007 6811 1 13 . 1 1 40 40 ASN C C 40 177.491 177.491 177.497 -0.006 19007 6812 1 13 . 1 1 40 40 ASN CA C 40 56.330 56.330 56.266 0.064 19007 6813 1 13 . 1 1 40 40 ASN CB C 40 39.230 39.230 38.489 0.742 19007 6814 1 13 . 1 1 40 40 ASN H H 40 7.810 7.810 8.279 -0.469 19007 6815 1 13 . 1 1 41 41 MET N N 41 119.840 119.840 120.277 -0.437 19007 6816 1 13 . 1 1 41 41 MET HA H 41 4.344 4.344 4.108 0.236 19007 6817 1 13 . 1 1 41 41 MET C C 41 177.551 177.551 178.786 -1.235 19007 6818 1 13 . 1 1 41 41 MET CA C 41 58.140 58.140 58.889 -0.749 19007 6819 1 13 . 1 1 41 41 MET CB C 41 32.600 32.600 32.658 -0.058 19007 6820 1 13 . 1 1 41 41 MET H H 41 8.060 8.060 7.478 0.582 19007 6821 1 13 . 1 1 42 42 LEU N N 42 116.680 116.680 119.255 -2.575 19007 6822 1 13 . 1 1 42 42 LEU HA H 42 4.236 4.236 3.971 0.265 19007 6823 1 13 . 1 1 42 42 LEU C C 42 177.055 177.055 179.000 -1.945 19007 6824 1 13 . 1 1 42 42 LEU CA C 42 55.850 55.850 57.644 -1.794 19007 6825 1 13 . 1 1 42 42 LEU CB C 42 41.490 41.490 41.538 -0.047 19007 6826 1 13 . 1 1 42 42 LEU H H 42 8.280 8.280 8.683 -0.403 19007 6827 1 13 . 1 1 43 43 SER N N 43 113.420 113.420 113.158 0.262 19007 6828 1 13 . 1 1 43 43 SER HA H 43 4.452 4.452 4.132 0.320 19007 6829 1 13 . 1 1 43 43 SER C C 43 174.755 174.755 174.739 0.016 19007 6830 1 13 . 1 1 43 43 SER CA C 43 59.340 59.340 61.795 -2.455 19007 6831 1 13 . 1 1 43 43 SER CB C 43 63.580 63.580 63.331 0.249 19007 6832 1 13 . 1 1 43 43 SER H H 43 7.650 7.650 7.871 -0.221 19007 6833 1 13 . 1 1 44 44 ILE N N 44 120.390 120.390 117.489 2.901 19007 6834 1 13 . 1 1 44 44 ILE HA H 44 4.188 4.188 4.197 -0.009 19007 6835 1 13 . 1 1 44 44 ILE C C 44 176.440 176.440 175.737 0.703 19007 6836 1 13 . 1 1 44 44 ILE CA C 44 61.500 61.500 60.886 0.613 19007 6837 1 13 . 1 1 44 44 ILE CB C 44 38.640 38.640 37.740 0.899 19007 6838 1 13 . 1 1 44 44 ILE H H 44 7.590 7.590 7.244 0.346 19007 6839 1 13 . 1 1 45 45 GLU N N 45 118.850 118.850 121.793 -2.943 19007 6840 1 13 . 1 1 45 45 GLU HA H 45 4.272 4.272 4.551 -0.279 19007 6841 1 13 . 1 1 45 45 GLU C C 45 176.698 176.698 176.242 0.456 19007 6842 1 13 . 1 1 45 45 GLU CA C 45 61.950 61.950 56.900 5.050 19007 6843 1 13 . 1 1 45 45 GLU CB C 45 29.840 29.840 32.520 -2.680 19007 6844 1 13 . 1 1 45 45 GLU H H 45 8.200 8.200 7.951 0.249 19007 6845 1 13 . 1 1 46 46 GLN N N 46 118.260 118.260 120.074 -1.814 19007 6846 1 13 . 1 1 46 46 GLN HA H 46 4.212 4.212 4.690 -0.478 19007 6847 1 13 . 1 1 46 46 GLN C C 46 176.361 176.361 174.422 1.939 19007 6848 1 13 . 1 1 46 46 GLN CA C 46 56.770 56.770 55.232 1.538 19007 6849 1 13 . 1 1 46 46 GLN CB C 46 28.920 28.920 30.261 -1.341 19007 6850 1 13 . 1 1 46 46 GLN H H 46 8.270 8.270 8.408 -0.138 19007 6851 1 13 . 1 1 47 47 TYR N N 47 117.690 117.690 120.518 -2.828 19007 6852 1 13 . 1 1 47 47 TYR HA H 47 4.701 4.701 4.952 -0.251 19007 6853 1 13 . 1 1 47 47 TYR C C 47 175.588 175.588 174.340 1.248 19007 6854 1 13 . 1 1 47 47 TYR CA C 47 58.290 58.290 56.364 1.926 19007 6855 1 13 . 1 1 47 47 TYR CB C 47 39.250 39.250 39.007 0.243 19007 6856 1 13 . 1 1 47 47 TYR H H 47 7.980 7.980 8.383 -0.403 19007 6857 1 13 . 1 1 48 48 THR N N 48 108.930 108.930 118.453 -9.523 19007 6858 1 13 . 1 1 48 48 THR HA H 48 4.464 4.464 4.373 0.091 19007 6859 1 13 . 1 1 48 48 THR C C 48 176.381 176.381 173.705 2.676 19007 6860 1 13 . 1 1 48 48 THR CA C 48 61.150 61.150 61.849 -0.699 19007 6861 1 13 . 1 1 48 48 THR CB C 48 70.190 70.190 69.353 0.837 19007 6862 1 13 . 1 1 48 48 THR H H 48 7.570 7.570 8.488 -0.918 19007 6863 1 13 . 1 1 49 49 ASP N N 49 121.350 121.350 125.562 -4.212 19007 6864 1 13 . 1 1 49 49 ASP HA H 49 4.752 4.752 4.465 0.287 19007 6865 1 13 . 1 1 49 49 ASP C C 49 177.015 177.015 176.656 0.359 19007 6866 1 13 . 1 1 49 49 ASP CA C 49 53.710 53.710 55.801 -2.091 19007 6867 1 13 . 1 1 49 49 ASP CB C 49 41.200 41.200 42.482 -1.282 19007 6868 1 13 . 1 1 49 49 ASP H H 49 8.100 8.100 8.082 0.018 19007 6869 1 13 . 1 1 50 50 GLY N N 50 112.360 112.360 106.395 5.965 19007 6870 1 13 . 1 1 50 50 GLY C C 50 175.449 175.449 175.464 -0.015 19007 6871 1 13 . 1 1 50 50 GLY CA C 50 46.000 46.000 45.471 0.529 19007 6872 1 13 . 1 1 50 50 GLY H H 50 9.080 9.080 8.729 0.351 19007 6873 1 13 . 1 1 51 51 LYS N N 51 119.510 119.510 121.687 -2.177 19007 6874 1 13 . 1 1 51 51 LYS HA H 51 4.200 4.200 4.436 -0.236 19007 6875 1 13 . 1 1 51 51 LYS C C 51 177.214 177.214 176.880 0.334 19007 6876 1 13 . 1 1 51 51 LYS CA C 51 56.540 56.540 56.736 -0.196 19007 6877 1 13 . 1 1 51 51 LYS CB C 51 31.420 31.420 33.944 -2.524 19007 6878 1 13 . 1 1 51 51 LYS H H 51 8.590 8.590 8.631 -0.041 19007 6879 1 13 . 1 1 52 52 GLY N N 52 108.180 108.180 108.316 -0.136 19007 6880 1 13 . 1 1 52 52 GLY C C 52 174.279 174.279 172.401 1.878 19007 6881 1 13 . 1 1 52 52 GLY CA C 52 45.450 45.450 45.252 0.198 19007 6882 1 13 . 1 1 52 52 GLY H H 52 8.670 8.670 8.119 0.551 19007 6883 1 13 . 1 1 53 53 GLN N N 53 120.010 120.010 120.746 -0.736 19007 6884 1 13 . 1 1 53 53 GLN HA H 53 4.440 4.440 4.468 -0.028 19007 6885 1 13 . 1 1 53 53 GLN C C 53 175.001 175.001 174.905 0.096 19007 6886 1 13 . 1 1 53 53 GLN CA C 53 54.580 54.580 55.038 -0.457 19007 6887 1 13 . 1 1 53 53 GLN CB C 53 30.330 30.330 28.541 1.789 19007 6888 1 13 . 1 1 53 53 GLN H H 53 7.860 7.860 8.096 -0.236 19007 6889 1 13 . 1 1 54 54 LYS N N 54 120.420 120.420 125.968 -5.548 19007 6890 1 13 . 1 1 54 54 LYS HA H 54 4.704 4.704 4.849 -0.145 19007 6891 1 13 . 1 1 54 54 LYS C C 54 176.753 176.753 174.980 1.773 19007 6892 1 13 . 1 1 54 54 LYS CA C 54 55.830 55.830 55.219 0.611 19007 6893 1 13 . 1 1 54 54 LYS CB C 54 33.850 33.850 35.339 -1.489 19007 6894 1 13 . 1 1 54 54 LYS H H 54 8.250 8.250 9.383 -1.133 19007 6895 1 13 . 1 1 55 55 ILE N N 55 125.360 125.360 129.581 -4.221 19007 6896 1 13 . 1 1 55 55 ILE HA H 55 4.169 4.169 4.840 -0.671 19007 6897 1 13 . 1 1 55 55 ILE C C 55 174.405 174.405 174.468 -0.063 19007 6898 1 13 . 1 1 55 55 ILE CA C 55 60.350 60.350 60.536 -0.186 19007 6899 1 13 . 1 1 55 55 ILE CB C 55 39.690 39.690 38.704 0.986 19007 6900 1 13 . 1 1 55 55 ILE H H 55 9.050 9.050 9.276 -0.226 19007 6901 1 13 . 1 1 56 56 SER N N 56 121.850 121.850 123.969 -2.119 19007 6902 1 13 . 1 1 56 56 SER HA H 56 4.480 4.480 5.375 -0.895 19007 6903 1 13 . 1 1 56 56 SER C C 56 174.105 174.105 173.264 0.841 19007 6904 1 13 . 1 1 56 56 SER CA C 56 57.410 57.410 56.672 0.738 19007 6905 1 13 . 1 1 56 56 SER CB C 56 64.080 64.080 64.984 -0.904 19007 6906 1 13 . 1 1 56 56 SER H H 56 8.330 8.330 9.127 -0.797 19007 6907 1 13 . 1 1 57 57 VAL N N 57 123.190 123.190 126.659 -3.469 19007 6908 1 13 . 1 1 57 57 VAL HA H 57 4.861 4.861 4.245 0.616 19007 6909 1 13 . 1 1 57 57 VAL C C 57 174.869 174.869 174.664 0.205 19007 6910 1 13 . 1 1 57 57 VAL CA C 57 61.130 61.130 61.620 -0.490 19007 6911 1 13 . 1 1 57 57 VAL CB C 57 33.600 33.600 31.037 2.563 19007 6912 1 13 . 1 1 57 57 VAL H H 57 8.680 8.680 8.472 0.208 19007 6913 1 13 . 1 1 58 58 HIS N N 58 129.590 129.590 127.699 1.891 19007 6914 1 13 . 1 1 58 58 HIS HA H 58 5.076 5.076 4.859 0.217 19007 6915 1 13 . 1 1 58 58 HIS C C 58 174.351 174.351 174.510 -0.159 19007 6916 1 13 . 1 1 58 58 HIS CA C 58 54.420 54.420 53.978 0.442 19007 6917 1 13 . 1 1 58 58 HIS CB C 58 31.720 31.720 29.719 2.001 19007 6918 1 13 . 1 1 58 58 HIS H H 58 9.050 9.050 8.689 0.361 19007 6919 1 13 . 1 1 59 59 VAL N N 59 125.260 125.260 121.506 3.754 19007 6920 1 13 . 1 1 59 59 VAL HA H 59 4.408 4.408 4.305 0.103 19007 6921 1 13 . 1 1 59 59 VAL C C 59 174.460 174.460 175.084 -0.624 19007 6922 1 13 . 1 1 59 59 VAL CA C 59 62.370 62.370 61.608 0.762 19007 6923 1 13 . 1 1 59 59 VAL CB C 59 32.760 32.760 31.118 1.642 19007 6924 1 13 . 1 1 59 59 VAL H H 59 8.800 8.800 7.956 0.844 19007 6925 1 13 . 1 1 60 60 LYS N N 60 128.520 128.520 127.399 1.121 19007 6926 1 13 . 1 1 60 60 LYS HA H 60 4.909 4.909 4.598 0.311 19007 6927 1 13 . 1 1 60 60 LYS C C 60 175.825 175.825 175.532 0.293 19007 6928 1 13 . 1 1 60 60 LYS CA C 60 54.450 54.450 54.008 0.442 19007 6929 1 13 . 1 1 60 60 LYS CB C 60 32.490 32.490 30.745 1.745 19007 6930 1 13 . 1 1 60 60 LYS H H 60 9.040 9.040 8.934 0.106 19007 6931 1 13 . 1 1 61 61 LEU N N 61 121.430 121.430 121.158 0.272 19007 6932 1 13 . 1 1 61 61 LEU HA H 61 4.527 4.527 4.572 -0.045 19007 6933 1 13 . 1 1 61 61 LEU C C 61 178.910 178.910 177.385 1.525 19007 6934 1 13 . 1 1 61 61 LEU CA C 61 54.410 54.410 54.268 0.142 19007 6935 1 13 . 1 1 61 61 LEU CB C 61 44.330 44.330 42.605 1.725 19007 6936 1 13 . 1 1 61 61 LEU H H 61 8.700 8.700 7.403 1.297 19007 6937 1 13 . 1 1 62 62 GLY N N 62 110.520 110.520 107.936 2.584 19007 6938 1 13 . 1 1 62 62 GLY C C 62 175.350 175.350 175.060 0.290 19007 6939 1 13 . 1 1 62 62 GLY CA C 62 46.710 46.710 46.541 0.169 19007 6940 1 13 . 1 1 62 62 GLY H H 62 9.060 9.060 7.939 1.121 19007 6941 1 13 . 1 1 63 63 ASN N N 63 127.090 127.090 123.666 3.424 19007 6942 1 13 . 1 1 63 63 ASN HA H 63 4.778 4.778 4.655 0.123 19007 6943 1 13 . 1 1 63 63 ASN C C 63 174.214 174.214 176.110 -1.896 19007 6944 1 13 . 1 1 63 63 ASN CA C 63 52.910 52.910 52.523 0.387 19007 6945 1 13 . 1 1 63 63 ASN CB C 63 38.100 38.100 35.980 2.120 19007 6946 1 13 . 1 1 63 63 ASN H H 63 10.390 10.390 8.690 1.700 19007 6947 1 13 . 1 1 64 64 ARG N N 64 121.850 121.850 119.507 2.343 19007 6948 1 13 . 1 1 64 64 ARG HA H 64 4.265 4.265 3.977 0.288 19007 6949 1 13 . 1 1 64 64 ARG C C 64 174.214 174.214 176.280 -2.066 19007 6950 1 13 . 1 1 64 64 ARG CA C 64 56.330 56.330 57.724 -1.395 19007 6951 1 13 . 1 1 64 64 ARG CB C 64 33.860 33.860 29.877 3.983 19007 6952 1 13 . 1 1 64 64 ARG H H 64 7.520 7.520 7.808 -0.288 19007 6953 1 13 . 1 1 65 65 PHE N N 65 127.760 127.760 116.346 11.414 19007 6954 1 13 . 1 1 65 65 PHE HA H 65 4.503 4.503 4.127 0.376 19007 6955 1 13 . 1 1 65 65 PHE C C 65 176.508 176.508 174.216 2.292 19007 6956 1 13 . 1 1 65 65 PHE CA C 65 56.760 56.760 58.108 -1.348 19007 6957 1 13 . 1 1 65 65 PHE CB C 65 40.430 40.430 37.994 2.436 19007 6958 1 13 . 1 1 65 65 PHE H H 65 8.580 8.580 8.207 0.373 19007 6959 1 13 . 1 1 66 66 LEU N N 66 125.260 125.260 119.749 5.511 19007 6960 1 13 . 1 1 66 66 LEU HA H 66 4.288 4.288 4.500 -0.212 19007 6961 1 13 . 1 1 66 66 LEU C C 66 176.508 176.508 176.256 0.252 19007 6962 1 13 . 1 1 66 66 LEU CA C 66 53.080 53.080 53.933 -0.853 19007 6963 1 13 . 1 1 66 66 LEU CB C 66 43.170 43.170 44.585 -1.415 19007 6964 1 13 . 1 1 66 66 LEU H H 66 8.040 8.040 7.592 0.448 19007 6965 1 13 . 1 1 67 67 TYR N N 67 120.480 120.480 123.428 -2.948 19007 6966 1 13 . 1 1 67 67 TYR HA H 67 4.515 4.515 4.406 0.109 19007 6967 1 13 . 1 1 67 67 TYR C C 67 177.791 177.791 176.808 0.983 19007 6968 1 13 . 1 1 67 67 TYR CA C 67 58.120 58.120 58.292 -0.172 19007 6969 1 13 . 1 1 67 67 TYR CB C 67 39.320 39.320 36.853 2.467 19007 6970 1 13 . 1 1 67 67 TYR H H 67 7.880 7.880 8.714 -0.834 19007 6971 1 13 . 1 1 68 68 LYS N N 68 125.020 125.020 124.197 0.823 19007 6972 1 13 . 1 1 68 68 LYS HA H 68 4.034 4.034 4.191 -0.157 19007 6973 1 13 . 1 1 68 68 LYS C C 68 178.364 178.364 178.173 0.191 19007 6974 1 13 . 1 1 68 68 LYS CA C 68 60.130 60.130 59.155 0.975 19007 6975 1 13 . 1 1 68 68 LYS CB C 68 32.150 32.150 32.480 -0.330 19007 6976 1 13 . 1 1 68 68 LYS H H 68 9.120 9.120 8.140 0.980 19007 6977 1 13 . 1 1 69 69 GLU N N 69 116.430 116.430 117.581 -1.151 19007 6978 1 13 . 1 1 69 69 GLU HA H 69 4.133 4.133 4.092 0.041 19007 6979 1 13 . 1 1 69 69 GLU C C 69 179.538 179.538 178.717 0.821 19007 6980 1 13 . 1 1 69 69 GLU CA C 69 60.030 60.030 60.033 -0.003 19007 6981 1 13 . 1 1 69 69 GLU CB C 69 28.560 28.560 28.539 0.021 19007 6982 1 13 . 1 1 69 69 GLU H H 69 9.460 9.460 8.717 0.743 19007 6983 1 13 . 1 1 70 70 GLN N N 70 117.670 117.670 118.168 -0.498 19007 6984 1 13 . 1 1 70 70 GLN HA H 70 4.120 4.120 4.075 0.045 19007 6985 1 13 . 1 1 70 70 GLN C C 70 177.955 177.955 178.476 -0.521 19007 6986 1 13 . 1 1 70 70 GLN CA C 70 57.950 57.950 58.974 -1.024 19007 6987 1 13 . 1 1 70 70 GLN CB C 70 29.290 29.290 28.437 0.853 19007 6988 1 13 . 1 1 70 70 GLN H H 70 7.000 7.000 7.858 -0.858 19007 6989 1 13 . 1 1 71 71 GLU N N 71 120.850 120.850 119.058 1.792 19007 6990 1 13 . 1 1 71 71 GLU HA H 71 3.668 3.668 4.082 -0.414 19007 6991 1 13 . 1 1 71 71 GLU C C 71 179.429 179.429 178.994 0.435 19007 6992 1 13 . 1 1 71 71 GLU CA C 71 60.620 60.620 59.107 1.513 19007 6993 1 13 . 1 1 71 71 GLU CB C 71 29.660 29.660 29.147 0.513 19007 6994 1 13 . 1 1 71 71 GLU H H 71 8.080 8.080 7.900 0.180 19007 6995 1 13 . 1 1 72 72 GLU N N 72 119.670 119.670 121.220 -1.550 19007 6996 1 13 . 1 1 72 72 GLU HA H 72 4.038 4.038 3.961 0.077 19007 6997 1 13 . 1 1 72 72 GLU C C 72 178.446 178.446 178.541 -0.095 19007 6998 1 13 . 1 1 72 72 GLU CA C 72 59.690 59.690 59.947 -0.257 19007 6999 1 13 . 1 1 72 72 GLU CB C 72 29.350 29.350 29.597 -0.247 19007 7000 1 13 . 1 1 72 72 GLU H H 72 8.390 8.390 7.984 0.406 19007 7001 1 13 . 1 1 73 73 GLN N N 73 119.030 119.030 117.812 1.218 19007 7002 1 13 . 1 1 73 73 GLN HA H 73 4.110 4.110 4.055 0.055 19007 7003 1 13 . 1 1 73 73 GLN C C 73 179.320 179.320 177.636 1.684 19007 7004 1 13 . 1 1 73 73 GLN CA C 73 59.470 59.470 58.781 0.689 19007 7005 1 13 . 1 1 73 73 GLN CB C 73 29.480 29.480 28.438 1.042 19007 7006 1 13 . 1 1 73 73 GLN H H 73 7.730 7.730 8.366 -0.636 19007 7007 1 13 . 1 1 74 74 LEU N N 74 119.760 119.760 113.224 6.536 19007 7008 1 13 . 1 1 74 74 LEU HA H 74 3.918 3.918 4.497 -0.579 19007 7009 1 13 . 1 1 74 74 LEU C C 74 177.818 177.818 178.658 -0.840 19007 7010 1 13 . 1 1 74 74 LEU CA C 74 58.720 58.720 56.754 1.966 19007 7011 1 13 . 1 1 74 74 LEU CB C 74 42.890 42.890 41.925 0.965 19007 7012 1 13 . 1 1 74 74 LEU H H 74 8.290 8.290 7.289 1.001 19007 7013 1 13 . 1 1 75 75 THR N N 75 113.520 113.520 117.518 -3.998 19007 7014 1 13 . 1 1 75 75 THR HA H 75 3.680 3.680 4.003 -0.323 19007 7015 1 13 . 1 1 75 75 THR C C 75 176.480 176.480 176.491 -0.011 19007 7016 1 13 . 1 1 75 75 THR CA C 75 66.990 66.990 67.219 -0.229 19007 7017 1 13 . 1 1 75 75 THR CB C 75 68.640 68.640 68.401 0.239 19007 7018 1 13 . 1 1 75 75 THR H H 75 8.450 8.450 8.173 0.277 19007 7019 1 13 . 1 1 76 76 GLU N N 76 121.340 121.340 120.576 0.764 19007 7020 1 13 . 1 1 76 76 GLU HA H 76 4.014 4.014 4.070 -0.056 19007 7021 1 13 . 1 1 76 76 GLU C C 76 178.965 178.965 178.546 0.419 19007 7022 1 13 . 1 1 76 76 GLU CA C 76 59.190 59.190 58.794 0.396 19007 7023 1 13 . 1 1 76 76 GLU CB C 76 29.590 29.590 28.963 0.627 19007 7024 1 13 . 1 1 76 76 GLU H H 76 8.330 8.330 8.152 0.178 19007 7025 1 13 . 1 1 77 77 LEU N N 77 120.170 120.170 119.106 1.064 19007 7026 1 13 . 1 1 77 77 LEU HA H 77 3.955 3.955 4.068 -0.113 19007 7027 1 13 . 1 1 77 77 LEU C C 77 180.057 180.057 178.620 1.437 19007 7028 1 13 . 1 1 77 77 LEU CA C 77 58.510 58.510 57.785 0.725 19007 7029 1 13 . 1 1 77 77 LEU CB C 77 42.716 42.716 42.134 0.582 19007 7030 1 13 . 1 1 77 77 LEU H H 77 7.560 7.560 7.403 0.157 19007 7031 1 13 . 1 1 78 78 ILE N N 78 119.930 119.930 117.039 2.891 19007 7032 1 13 . 1 1 78 78 ILE HA H 78 3.429 3.429 3.982 -0.553 19007 7033 1 13 . 1 1 78 78 ILE C C 78 176.043 176.043 177.699 -1.656 19007 7034 1 13 . 1 1 78 78 ILE CA C 78 65.740 65.740 62.454 3.286 19007 7035 1 13 . 1 1 78 78 ILE CB C 78 37.960 37.960 37.790 0.170 19007 7036 1 13 . 1 1 78 78 ILE H H 78 7.740 7.740 7.693 0.047 19007 7037 1 13 . 1 1 79 79 ALA N N 79 116.940 116.940 123.732 -6.792 19007 7038 1 13 . 1 1 79 79 ALA HA H 79 4.229 4.229 4.062 0.167 19007 7039 1 13 . 1 1 79 79 ALA C C 79 178.719 178.719 178.909 -0.190 19007 7040 1 13 . 1 1 79 79 ALA CA C 79 53.390 53.390 55.145 -1.755 19007 7041 1 13 . 1 1 79 79 ALA CB C 79 18.500 18.500 17.659 0.841 19007 7042 1 13 . 1 1 79 79 ALA H H 79 8.210 8.210 8.149 0.061 19007 7043 1 13 . 1 1 80 80 SER N N 80 113.260 113.260 112.987 0.273 19007 7044 1 13 . 1 1 80 80 SER HA H 80 4.253 4.253 4.322 -0.069 19007 7045 1 13 . 1 1 80 80 SER C C 80 174.869 174.869 175.346 -0.477 19007 7046 1 13 . 1 1 80 80 SER CA C 80 60.550 60.550 60.190 0.360 19007 7047 1 13 . 1 1 80 80 SER CB C 80 63.130 63.130 63.436 -0.306 19007 7048 1 13 . 1 1 80 80 SER H H 80 7.600 7.600 8.165 -0.565 19007 7049 1 13 . 1 1 81 81 LYS N N 81 123.510 123.510 119.898 3.612 19007 7050 1 13 . 1 1 81 81 LYS HA H 81 4.527 4.527 4.709 -0.182 19007 7051 1 13 . 1 1 81 81 LYS C C 81 176.289 176.289 175.528 0.761 19007 7052 1 13 . 1 1 81 81 LYS CA C 81 54.000 54.000 54.926 -0.926 19007 7053 1 13 . 1 1 81 81 LYS CB C 81 30.440 30.440 32.691 -2.251 19007 7054 1 13 . 1 1 81 81 LYS H H 81 7.690 7.690 7.707 -0.017 19007 7055 1 13 . 1 1 82 82 LYS N N 82 120.760 120.760 120.792 -0.032 19007 7056 1 13 . 1 1 82 82 LYS HA H 82 4.539 4.539 4.249 0.290 19007 7057 1 13 . 1 1 82 82 LYS C C 82 176.835 176.835 175.904 0.931 19007 7058 1 13 . 1 1 82 82 LYS CA C 82 59.090 59.090 56.724 2.366 19007 7059 1 13 . 1 1 82 82 LYS CB C 82 32.330 32.330 30.491 1.839 19007 7060 1 13 . 1 1 82 82 LYS H H 82 8.190 8.190 7.646 0.544 19007 7061 1 13 . 1 1 83 83 ASP N N 83 117.280 117.280 120.554 -3.274 19007 7062 1 13 . 1 1 83 83 ASP HA H 83 4.659 4.659 4.521 0.138 19007 7063 1 13 . 1 1 83 83 ASP C C 83 174.460 174.460 176.464 -2.004 19007 7064 1 13 . 1 1 83 83 ASP CA C 83 55.390 55.390 55.023 0.367 19007 7065 1 13 . 1 1 83 83 ASP CB C 83 40.680 40.680 41.356 -0.676 19007 7066 1 13 . 1 1 83 83 ASP H H 83 8.670 8.670 8.193 0.477 19007 7067 1 13 . 1 1 84 84 LEU N N 84 117.780 117.780 119.255 -1.475 19007 7068 1 13 . 1 1 84 84 LEU HA H 84 5.100 5.100 4.218 0.882 19007 7069 1 13 . 1 1 84 84 LEU C C 84 176.753 176.753 177.927 -1.174 19007 7070 1 13 . 1 1 84 84 LEU CA C 84 54.560 54.560 53.560 1.000 19007 7071 1 13 . 1 1 84 84 LEU CB C 84 43.690 43.690 42.127 1.563 19007 7072 1 13 . 1 1 84 84 LEU H H 84 7.640 7.640 7.533 0.107 19007 7073 1 13 . 1 1 85 85 PHE N N 85 117.610 117.610 120.354 -2.744 19007 7074 1 13 . 1 1 85 85 PHE HA H 85 4.754 4.754 4.465 0.289 19007 7075 1 13 . 1 1 85 85 PHE C C 85 173.204 173.204 174.809 -1.605 19007 7076 1 13 . 1 1 85 85 PHE CA C 85 56.400 56.400 57.769 -1.369 19007 7077 1 13 . 1 1 85 85 PHE CB C 85 42.000 42.000 37.431 4.569 19007 7078 1 13 . 1 1 85 85 PHE H H 85 8.280 8.280 8.275 0.005 19007 7079 1 13 . 1 1 86 86 VAL N N 86 123.600 123.600 122.803 0.797 19007 7080 1 13 . 1 1 86 86 VAL HA H 86 3.882 3.882 5.073 -1.191 19007 7081 1 13 . 1 1 86 86 VAL C C 86 174.651 174.651 175.053 -0.402 19007 7082 1 13 . 1 1 86 86 VAL CA C 86 63.640 63.640 60.655 2.985 19007 7083 1 13 . 1 1 86 86 VAL CB C 86 31.440 31.440 33.195 -1.755 19007 7084 1 13 . 1 1 86 86 VAL H H 86 8.880 8.880 7.735 1.145 19007 7085 1 13 . 1 1 87 87 HIS N N 87 130.690 130.690 127.836 2.854 19007 7086 1 13 . 1 1 87 87 HIS HA H 87 4.420 4.420 4.936 -0.516 19007 7087 1 13 . 1 1 87 87 HIS C C 87 175.497 175.497 173.658 1.839 19007 7088 1 13 . 1 1 87 87 HIS CA C 87 58.090 58.090 55.517 2.573 19007 7089 1 13 . 1 1 87 87 HIS CB C 87 32.870 32.870 31.962 0.907 19007 7090 1 13 . 1 1 87 87 HIS H H 87 9.320 9.320 9.185 0.135 19007 7091 1 13 . 1 1 88 88 SER N N 88 109.280 109.280 120.989 -11.709 19007 7092 1 13 . 1 1 88 88 SER HA H 88 4.503 4.503 5.208 -0.705 19007 7093 1 13 . 1 1 88 88 SER C C 88 172.248 172.248 173.109 -0.861 19007 7094 1 13 . 1 1 88 88 SER CA C 88 57.560 57.560 57.484 0.076 19007 7095 1 13 . 1 1 88 88 SER CB C 88 64.890 64.890 65.058 -0.168 19007 7096 1 13 . 1 1 88 88 SER H H 88 7.370 7.370 8.683 -1.313 19007 7097 1 13 . 1 1 89 89 ILE N N 89 122.260 122.260 124.872 -2.612 19007 7098 1 13 . 1 1 89 89 ILE HA H 89 4.265 4.265 4.486 -0.221 19007 7099 1 13 . 1 1 89 89 ILE C C 89 174.569 174.569 173.275 1.294 19007 7100 1 13 . 1 1 89 89 ILE CA C 89 61.110 61.110 60.521 0.589 19007 7101 1 13 . 1 1 89 89 ILE CB C 89 39.960 39.960 41.106 -1.146 19007 7102 1 13 . 1 1 89 89 ILE H H 89 8.400 8.400 8.400 0.000 19007 7103 1 13 . 1 1 90 90 ASP N N 90 126.690 126.690 126.884 -0.194 19007 7104 1 13 . 1 1 90 90 ASP HA H 90 5.064 5.064 5.319 -0.255 19007 7105 1 13 . 1 1 90 90 ASP C C 90 174.469 174.469 176.475 -2.006 19007 7106 1 13 . 1 1 90 90 ASP CA C 90 53.600 53.600 52.059 1.541 19007 7107 1 13 . 1 1 90 90 ASP CB C 90 44.230 44.230 43.079 1.151 19007 7108 1 13 . 1 1 90 90 ASP H H 90 8.800 8.800 8.454 0.346 19007 7109 1 13 . 1 1 91 91 SER N N 91 116.760 116.760 116.117 0.643 19007 7110 1 13 . 1 1 91 91 SER HA H 91 4.781 4.781 4.583 0.198 19007 7111 1 13 . 1 1 91 91 SER C C 91 173.164 173.164 173.982 -0.818 19007 7112 1 13 . 1 1 91 91 SER CA C 91 57.430 57.430 57.654 -0.224 19007 7113 1 13 . 1 1 91 91 SER CB C 91 65.250 65.250 61.296 3.954 19007 7114 1 13 . 1 1 91 91 SER H H 91 8.500 8.500 8.308 0.192 19007 7115 1 13 . 1 1 92 92 GLU N N 92 123.420 123.420 120.831 2.589 19007 7116 1 13 . 1 1 92 92 GLU HA H 92 4.355 4.355 4.240 0.115 19007 7117 1 13 . 1 1 92 92 GLU C C 92 176.419 176.419 175.984 0.435 19007 7118 1 13 . 1 1 92 92 GLU CA C 92 56.250 56.250 56.053 0.197 19007 7119 1 13 . 1 1 92 92 GLU CB C 92 30.730 30.730 30.459 0.271 19007 7120 1 13 . 1 1 92 92 GLU H H 92 8.620 8.620 7.604 1.016 19007 7121 1 13 . 1 1 93 93 VAL N N 93 122.090 122.090 122.959 -0.869 19007 7122 1 13 . 1 1 93 93 VAL HA H 93 4.105 4.105 4.332 -0.227 19007 7123 1 13 . 1 1 93 93 VAL CA C 93 62.240 62.240 61.519 0.721 19007 7124 1 13 . 1 1 93 93 VAL CB C 93 32.860 32.860 32.322 0.538 19007 7125 1 13 . 1 1 93 93 VAL H H 93 8.220 8.220 8.440 -0.220 19007 7126 1 13 . 1 1 96 96 LYS HA H 96 4.079 4.079 4.457 -0.378 19007 7127 1 13 . 1 1 96 96 LYS C C 96 176.053 176.053 175.079 0.974 19007 7128 1 13 . 1 1 96 96 LYS CA C 96 62.497 62.497 55.796 6.701 19007 7129 1 13 . 1 1 96 96 LYS CB C 96 32.776 32.776 33.002 -0.226 19007 7130 1 13 . 1 1 97 97 LYS N N 97 126.170 126.170 124.600 1.570 19007 7131 1 13 . 1 1 97 97 LYS HA H 97 4.300 4.300 4.459 -0.159 19007 7132 1 13 . 1 1 97 97 LYS C C 97 176.665 176.665 176.246 0.419 19007 7133 1 13 . 1 1 97 97 LYS CA C 97 56.730 56.730 56.012 0.718 19007 7134 1 13 . 1 1 97 97 LYS CB C 97 33.020 33.020 33.456 -0.436 19007 7135 1 13 . 1 1 97 97 LYS H H 97 8.500 8.500 8.457 0.042 19007 7136 1 13 . 1 1 98 98 GLU N N 98 122.020 122.020 125.860 -3.840 19007 7137 1 13 . 1 1 98 98 GLU HA H 98 4.226 4.226 4.401 -0.175 19007 7138 1 13 . 1 1 98 98 GLU C C 98 176.382 176.382 176.520 -0.138 19007 7139 1 13 . 1 1 98 98 GLU CA C 98 56.890 56.890 55.807 1.083 19007 7140 1 13 . 1 1 98 98 GLU CB C 98 30.410 30.410 29.247 1.163 19007 7141 1 13 . 1 1 98 98 GLU H H 98 8.470 8.470 8.845 -0.375 19007 7142 1 13 . 1 1 99 99 ALA N N 99 124.770 124.770 127.363 -2.593 19007 7143 1 13 . 1 1 99 99 ALA HA H 99 4.281 4.281 4.395 -0.114 19007 7144 1 13 . 1 1 99 99 ALA C C 99 177.723 177.723 177.678 0.045 19007 7145 1 13 . 1 1 99 99 ALA CA C 99 52.880 52.880 52.662 0.218 19007 7146 1 13 . 1 1 99 99 ALA CB C 99 19.320 19.320 19.463 -0.143 19007 7147 1 13 . 1 1 99 99 ALA H H 99 8.310 8.310 8.292 0.018 19007 7148 1 13 . 1 1 100 100 GLN N N 100 119.190 119.190 118.488 0.702 19007 7149 1 13 . 1 1 100 100 GLN HA H 100 4.266 4.266 4.319 -0.053 19007 7150 1 13 . 1 1 100 100 GLN CA C 100 56.000 56.000 55.982 0.018 19007 7151 1 13 . 1 1 100 100 GLN CB C 100 29.970 29.970 29.146 0.824 19007 7152 1 13 . 1 1 100 100 GLN H H 100 8.280 8.280 7.712 0.568 19007 7153 1 13 . 1 1 101 101 GLN N N 101 120.421 120.421 123.278 -2.857 19007 7154 1 13 . 1 1 101 101 GLN HA H 101 4.650 4.650 4.406 0.244 19007 7155 1 13 . 1 1 101 101 GLN C C 101 175.725 175.725 175.402 0.323 19007 7156 1 13 . 1 1 101 101 GLN CA C 101 56.073 56.073 55.572 0.501 19007 7157 1 13 . 1 1 101 101 GLN CB C 101 29.524 29.524 27.261 2.263 19007 7158 1 13 . 1 1 101 101 GLN H H 101 8.114 8.114 8.619 -0.505 19007 7159 1 13 . 1 1 102 102 ILE N N 102 122.940 122.940 122.802 0.138 19007 7160 1 13 . 1 1 102 102 ILE HA H 102 4.119 4.119 4.311 -0.192 19007 7161 1 13 . 1 1 102 102 ILE C C 102 175.916 175.916 175.827 0.089 19007 7162 1 13 . 1 1 102 102 ILE CA C 102 61.260 61.260 61.114 0.145 19007 7163 1 13 . 1 1 102 102 ILE CB C 102 38.790 38.790 38.797 -0.007 19007 7164 1 13 . 1 1 102 102 ILE H H 102 8.240 8.240 7.752 0.488 19007 7165 1 13 . 1 1 103 103 ARG N N 103 125.780 125.780 128.506 -2.726 19007 7166 1 13 . 1 1 103 103 ARG HA H 103 4.369 4.369 4.632 -0.263 19007 7167 1 13 . 1 1 103 103 ARG C C 103 175.752 175.752 175.349 0.403 19007 7168 1 13 . 1 1 103 103 ARG CA C 103 55.940 55.940 55.682 0.258 19007 7169 1 13 . 1 1 103 103 ARG CB C 103 31.340 31.340 29.978 1.362 19007 7170 1 13 . 1 1 103 103 ARG H H 103 8.400 8.400 8.664 -0.264 19007 7171 1 13 . 1 1 104 104 GLU N N 104 123.840 123.840 118.811 5.029 19007 7172 1 13 . 1 1 104 104 GLU HA H 104 4.296 4.296 4.430 -0.134 19007 7173 1 13 . 1 1 104 104 GLU C C 104 175.314 175.314 175.914 -0.600 19007 7174 1 13 . 1 1 104 104 GLU CA C 104 56.430 56.430 56.386 0.044 19007 7175 1 13 . 1 1 104 104 GLU CB C 104 30.560 30.560 29.733 0.827 19007 7176 1 13 . 1 1 104 104 GLU H H 104 8.510 8.510 8.666 -0.156 19007 7177 1 14 . 1 1 6 6 THR HA H 6 4.321 4.321 4.479 -0.158 19007 7178 1 14 . 1 1 6 6 THR C C 6 174.339 174.339 174.358 -0.019 19007 7179 1 14 . 1 1 6 6 THR CA C 6 62.139 62.139 61.594 0.545 19007 7180 1 14 . 1 1 6 6 THR CB C 6 69.788 69.788 69.347 0.441 19007 7181 1 14 . 1 1 7 7 LYS N N 7 124.350 124.350 120.713 3.637 19007 7182 1 14 . 1 1 7 7 LYS HA H 7 4.265 4.265 4.258 0.007 19007 7183 1 14 . 1 1 7 7 LYS C C 7 176.341 176.341 176.370 -0.029 19007 7184 1 14 . 1 1 7 7 LYS CA C 7 56.980 56.980 56.339 0.641 19007 7185 1 14 . 1 1 7 7 LYS CB C 7 33.110 33.110 32.997 0.113 19007 7186 1 14 . 1 1 7 7 LYS H H 7 8.320 8.320 8.339 -0.019 19007 7187 1 14 . 1 1 8 8 LYS N N 8 123.170 123.170 121.154 2.016 19007 7188 1 14 . 1 1 8 8 LYS HA H 8 4.253 4.253 4.532 -0.279 19007 7189 1 14 . 1 1 8 8 LYS C C 8 176.083 176.083 176.132 -0.049 19007 7190 1 14 . 1 1 8 8 LYS CA C 8 56.450 56.450 56.022 0.428 19007 7191 1 14 . 1 1 8 8 LYS CB C 8 33.480 33.480 33.494 -0.014 19007 7192 1 14 . 1 1 8 8 LYS H H 8 8.340 8.340 8.290 0.050 19007 7193 1 14 . 1 1 9 9 GLN N N 9 123.010 123.010 120.799 2.211 19007 7194 1 14 . 1 1 9 9 GLN HA H 9 4.289 4.289 4.320 -0.031 19007 7195 1 14 . 1 1 9 9 GLN C C 9 174.914 174.914 176.179 -1.265 19007 7196 1 14 . 1 1 9 9 GLN CA C 9 56.520 56.520 57.043 -0.523 19007 7197 1 14 . 1 1 9 9 GLN CB C 9 30.790 30.790 29.050 1.740 19007 7198 1 14 . 1 1 9 9 GLN H H 9 8.440 8.440 8.658 -0.218 19007 7199 1 14 . 1 1 10 10 GLN N N 10 121.180 121.180 118.621 2.559 19007 7200 1 14 . 1 1 10 10 GLN HA H 10 4.769 4.769 4.743 0.026 19007 7201 1 14 . 1 1 10 10 GLN C C 10 175.865 175.865 174.670 1.195 19007 7202 1 14 . 1 1 10 10 GLN CA C 10 55.580 55.580 54.946 0.634 19007 7203 1 14 . 1 1 10 10 GLN CB C 10 29.630 29.630 29.586 0.044 19007 7204 1 14 . 1 1 10 10 GLN H H 10 8.170 8.170 7.983 0.187 19007 7205 1 14 . 1 1 11 11 TYR N N 11 120.110 120.110 125.692 -5.582 19007 7206 1 14 . 1 1 11 11 TYR HA H 11 4.769 4.769 4.638 0.131 19007 7207 1 14 . 1 1 11 11 TYR C C 11 174.319 174.319 173.512 0.807 19007 7208 1 14 . 1 1 11 11 TYR CA C 11 58.490 58.490 57.625 0.865 19007 7209 1 14 . 1 1 11 11 TYR CB C 11 39.350 39.350 40.818 -1.468 19007 7210 1 14 . 1 1 11 11 TYR H H 11 8.470 8.470 8.660 -0.190 19007 7211 1 14 . 1 1 12 12 VAL N N 12 117.030 117.030 125.636 -8.606 19007 7212 1 14 . 1 1 12 12 VAL HA H 12 4.793 4.793 5.179 -0.386 19007 7213 1 14 . 1 1 12 12 VAL C C 12 174.636 174.636 174.454 0.182 19007 7214 1 14 . 1 1 12 12 VAL CA C 12 60.730 60.730 60.506 0.224 19007 7215 1 14 . 1 1 12 12 VAL CB C 12 34.790 34.790 34.772 0.018 19007 7216 1 14 . 1 1 12 12 VAL H H 12 7.590 7.590 8.075 -0.485 19007 7217 1 14 . 1 1 13 13 THR N N 13 121.770 121.770 123.207 -1.437 19007 7218 1 14 . 1 1 13 13 THR HA H 13 4.615 4.615 4.689 -0.074 19007 7219 1 14 . 1 1 13 13 THR C C 13 173.030 173.030 172.256 0.774 19007 7220 1 14 . 1 1 13 13 THR CA C 13 61.540 61.540 61.577 -0.036 19007 7221 1 14 . 1 1 13 13 THR CB C 13 71.050 71.050 70.895 0.155 19007 7222 1 14 . 1 1 13 13 THR H H 13 8.620 8.620 8.658 -0.038 19007 7223 1 14 . 1 1 14 14 ILE N N 14 126.190 126.190 127.052 -0.862 19007 7224 1 14 . 1 1 14 14 ILE HA H 14 4.781 4.781 4.355 0.426 19007 7225 1 14 . 1 1 14 14 ILE C C 14 175.112 175.112 174.435 0.677 19007 7226 1 14 . 1 1 14 14 ILE CA C 14 61.120 61.120 60.967 0.153 19007 7227 1 14 . 1 1 14 14 ILE CB C 14 40.340 40.340 39.646 0.694 19007 7228 1 14 . 1 1 14 14 ILE H H 14 8.890 8.890 8.659 0.231 19007 7229 1 14 . 1 1 15 15 LYS N N 15 127.020 127.020 128.865 -1.845 19007 7230 1 14 . 1 1 15 15 LYS HA H 15 4.734 4.734 4.456 0.278 19007 7231 1 14 . 1 1 15 15 LYS C C 15 175.409 175.409 175.495 -0.086 19007 7232 1 14 . 1 1 15 15 LYS CA C 15 54.740 54.740 56.120 -1.380 19007 7233 1 14 . 1 1 15 15 LYS CB C 15 35.430 35.430 32.128 3.302 19007 7234 1 14 . 1 1 15 15 LYS H H 15 8.850 8.850 8.775 0.075 19007 7235 1 14 . 1 1 16 16 GLY N N 16 112.120 112.120 111.787 0.333 19007 7236 1 14 . 1 1 16 16 GLY C C 16 172.566 172.566 173.546 -0.980 19007 7237 1 14 . 1 1 16 16 GLY CA C 16 45.560 45.560 45.159 0.401 19007 7238 1 14 . 1 1 16 16 GLY H H 16 8.870 8.870 8.046 0.824 19007 7239 1 14 . 1 1 17 17 THR N N 17 114.520 114.520 116.304 -1.784 19007 7240 1 14 . 1 1 17 17 THR HA H 17 4.753 4.753 4.395 0.358 19007 7241 1 14 . 1 1 17 17 THR CA C 17 60.360 60.360 62.069 -1.709 19007 7242 1 14 . 1 1 17 17 THR CB C 17 72.040 72.040 69.510 2.530 19007 7243 1 14 . 1 1 17 17 THR H H 17 8.380 8.380 8.040 0.340 19007 7244 1 14 . 1 1 19 19 ASN HA H 19 4.778 4.778 5.024 -0.246 19007 7245 1 14 . 1 1 19 19 ASN C C 19 174.616 174.616 174.556 0.060 19007 7246 1 14 . 1 1 19 19 ASN CA C 19 53.700 53.700 52.999 0.701 19007 7247 1 14 . 1 1 19 19 ASN CB C 19 39.018 39.018 40.974 -1.956 19007 7248 1 14 . 1 1 20 20 GLY N N 20 108.600 108.600 108.478 0.122 19007 7249 1 14 . 1 1 20 20 GLY C C 20 172.297 172.297 173.530 -1.233 19007 7250 1 14 . 1 1 20 20 GLY CA C 20 46.310 46.310 46.011 0.299 19007 7251 1 14 . 1 1 20 20 GLY H H 20 7.590 7.590 8.675 -1.085 19007 7252 1 14 . 1 1 21 21 LEU N N 21 123.210 123.210 121.801 1.409 19007 7253 1 14 . 1 1 21 21 LEU HA H 21 5.015 5.015 4.701 0.314 19007 7254 1 14 . 1 1 21 21 LEU C C 21 176.202 176.202 174.750 1.452 19007 7255 1 14 . 1 1 21 21 LEU CA C 21 54.090 54.090 55.385 -1.295 19007 7256 1 14 . 1 1 21 21 LEU CB C 21 45.940 45.940 43.536 2.404 19007 7257 1 14 . 1 1 21 21 LEU H H 21 8.760 8.760 7.580 1.180 19007 7258 1 14 . 1 1 22 22 THR N N 22 120.430 120.430 123.100 -2.670 19007 7259 1 14 . 1 1 22 22 THR HA H 22 5.191 5.191 4.686 0.505 19007 7260 1 14 . 1 1 22 22 THR C C 22 172.852 172.852 173.351 -0.499 19007 7261 1 14 . 1 1 22 22 THR CA C 22 61.850 61.850 61.596 0.254 19007 7262 1 14 . 1 1 22 22 THR CB C 22 69.800 69.800 68.778 1.022 19007 7263 1 14 . 1 1 22 22 THR H H 22 9.150 9.150 8.079 1.071 19007 7264 1 14 . 1 1 23 23 LEU N N 23 127.110 127.110 123.613 3.497 19007 7265 1 14 . 1 1 23 23 LEU HA H 23 4.910 4.910 5.559 -0.649 19007 7266 1 14 . 1 1 23 23 LEU C C 23 174.200 174.200 174.614 -0.414 19007 7267 1 14 . 1 1 23 23 LEU CA C 23 52.770 52.770 52.937 -0.167 19007 7268 1 14 . 1 1 23 23 LEU CB C 23 44.220 44.220 45.431 -1.211 19007 7269 1 14 . 1 1 23 23 LEU H H 23 8.870 8.870 8.221 0.649 19007 7270 1 14 . 1 1 24 24 HIS N N 24 124.600 124.600 121.874 2.726 19007 7271 1 14 . 1 1 24 24 HIS HA H 24 4.875 4.875 5.503 -0.627 19007 7272 1 14 . 1 1 24 24 HIS C C 24 174.033 174.033 172.850 1.183 19007 7273 1 14 . 1 1 24 24 HIS CA C 24 56.000 56.000 54.576 1.424 19007 7274 1 14 . 1 1 24 24 HIS CB C 24 30.400 30.400 34.009 -3.609 19007 7275 1 14 . 1 1 24 24 HIS H H 24 9.160 9.160 9.169 -0.009 19007 7276 1 14 . 1 1 25 25 LEU N N 25 125.950 125.950 128.682 -2.732 19007 7277 1 14 . 1 1 25 25 LEU HA H 25 4.382 4.382 4.818 -0.436 19007 7278 1 14 . 1 1 25 25 LEU C C 25 175.806 175.806 173.849 1.957 19007 7279 1 14 . 1 1 25 25 LEU CA C 25 53.250 53.250 53.900 -0.650 19007 7280 1 14 . 1 1 25 25 LEU CB C 25 41.030 41.030 45.657 -4.627 19007 7281 1 14 . 1 1 25 25 LEU H H 25 8.420 8.420 8.350 0.070 19007 7282 1 14 . 1 1 26 26 ASP N N 26 126.170 126.170 128.859 -2.689 19007 7283 1 14 . 1 1 26 26 ASP HA H 26 4.344 4.344 4.937 -0.593 19007 7284 1 14 . 1 1 26 26 ASP C C 26 176.302 176.302 174.146 2.156 19007 7285 1 14 . 1 1 26 26 ASP CA C 26 56.480 56.480 53.758 2.723 19007 7286 1 14 . 1 1 26 26 ASP CB C 26 43.880 43.880 41.668 2.212 19007 7287 1 14 . 1 1 26 26 ASP H H 26 8.630 8.630 8.543 0.087 19007 7288 1 14 . 1 1 27 27 ASP N N 27 122.430 122.430 120.880 1.550 19007 7289 1 14 . 1 1 27 27 ASP HA H 27 4.540 4.540 4.876 -0.336 19007 7290 1 14 . 1 1 27 27 ASP C C 27 176.381 176.381 173.910 2.471 19007 7291 1 14 . 1 1 27 27 ASP CA C 27 54.060 54.060 53.321 0.739 19007 7292 1 14 . 1 1 27 27 ASP CB C 27 40.820 40.820 44.300 -3.480 19007 7293 1 14 . 1 1 27 27 ASP H H 27 8.150 8.150 7.578 0.572 19007 7294 1 14 . 1 1 28 28 ALA N N 28 123.520 123.520 126.765 -3.245 19007 7295 1 14 . 1 1 28 28 ALA HA H 28 4.600 4.600 4.792 -0.192 19007 7296 1 14 . 1 1 28 28 ALA C C 28 178.324 178.324 176.969 1.355 19007 7297 1 14 . 1 1 28 28 ALA CA C 28 52.860 52.860 51.040 1.820 19007 7298 1 14 . 1 1 28 28 ALA CB C 28 20.790 20.790 21.164 -0.374 19007 7299 1 14 . 1 1 28 28 ALA H H 28 8.480 8.480 8.297 0.183 19007 7300 1 14 . 1 1 29 29 CYS N N 29 115.580 115.580 117.474 -1.894 19007 7301 1 14 . 1 1 29 29 CYS HA H 29 4.680 4.680 4.224 0.456 19007 7302 1 14 . 1 1 29 29 CYS C C 29 174.696 174.696 174.247 0.449 19007 7303 1 14 . 1 1 29 29 CYS CA C 29 56.060 56.060 60.122 -4.062 19007 7304 1 14 . 1 1 29 29 CYS CB C 29 29.050 29.050 25.447 3.603 19007 7305 1 14 . 1 1 29 29 CYS H H 29 7.510 7.510 8.801 -1.291 19007 7306 1 14 . 1 1 30 30 SER N N 30 119.090 119.090 112.047 7.043 19007 7307 1 14 . 1 1 30 30 SER HA H 30 4.500 4.500 4.475 0.025 19007 7308 1 14 . 1 1 30 30 SER CA C 30 58.370 58.370 56.930 1.440 19007 7309 1 14 . 1 1 30 30 SER CB C 30 64.170 64.170 65.092 -0.922 19007 7310 1 14 . 1 1 30 30 SER H H 30 9.170 9.170 7.855 1.315 19007 7311 1 14 . 1 1 31 31 PHE HA H 31 4.041 4.041 4.892 -0.851 19007 7312 1 14 . 1 1 31 31 PHE C C 31 176.440 176.440 173.989 2.451 19007 7313 1 14 . 1 1 31 31 PHE CA C 31 62.491 62.491 55.909 6.582 19007 7314 1 14 . 1 1 31 31 PHE CB C 31 39.018 39.018 41.520 -2.502 19007 7315 1 14 . 1 1 32 32 ASP N N 32 116.020 116.020 121.105 -5.085 19007 7316 1 14 . 1 1 32 32 ASP HA H 32 4.139 4.139 4.861 -0.722 19007 7317 1 14 . 1 1 32 32 ASP C C 32 178.978 178.978 175.572 3.406 19007 7318 1 14 . 1 1 32 32 ASP CA C 32 57.670 57.670 54.832 2.838 19007 7319 1 14 . 1 1 32 32 ASP CB C 32 40.290 40.290 42.102 -1.812 19007 7320 1 14 . 1 1 32 32 ASP H H 32 8.370 8.370 8.709 -0.339 19007 7321 1 14 . 1 1 33 33 GLU N N 33 120.170 120.170 122.883 -2.713 19007 7322 1 14 . 1 1 33 33 GLU HA H 33 4.149 4.149 4.597 -0.448 19007 7323 1 14 . 1 1 33 33 GLU C C 33 179.256 179.256 176.325 2.931 19007 7324 1 14 . 1 1 33 33 GLU CA C 33 58.810 58.810 57.004 1.806 19007 7325 1 14 . 1 1 33 33 GLU CB C 33 29.510 29.510 30.015 -0.505 19007 7326 1 14 . 1 1 33 33 GLU H H 33 7.560 7.560 8.797 -1.237 19007 7327 1 14 . 1 1 34 34 LEU N N 34 121.930 121.930 120.832 1.098 19007 7328 1 14 . 1 1 34 34 LEU HA H 34 3.755 3.755 4.404 -0.649 19007 7329 1 14 . 1 1 34 34 LEU C C 34 178.205 178.205 178.905 -0.700 19007 7330 1 14 . 1 1 34 34 LEU CA C 34 57.910 57.910 55.861 2.049 19007 7331 1 14 . 1 1 34 34 LEU CB C 34 41.980 41.980 41.533 0.447 19007 7332 1 14 . 1 1 34 34 LEU H H 34 7.730 7.730 8.080 -0.350 19007 7333 1 14 . 1 1 35 35 LEU N N 35 118.190 118.190 121.883 -3.693 19007 7334 1 14 . 1 1 35 35 LEU HA H 35 3.575 3.575 3.880 -0.305 19007 7335 1 14 . 1 1 35 35 LEU C C 35 179.295 179.295 178.085 1.210 19007 7336 1 14 . 1 1 35 35 LEU CA C 35 57.990 57.990 59.111 -1.121 19007 7337 1 14 . 1 1 35 35 LEU CB C 35 40.900 40.900 41.835 -0.935 19007 7338 1 14 . 1 1 35 35 LEU H H 35 7.880 7.880 9.008 -1.128 19007 7339 1 14 . 1 1 36 36 ASP N N 36 118.760 118.760 117.308 1.452 19007 7340 1 14 . 1 1 36 36 ASP HA H 36 4.308 4.308 4.365 -0.057 19007 7341 1 14 . 1 1 36 36 ASP C C 36 178.819 178.819 178.031 0.788 19007 7342 1 14 . 1 1 36 36 ASP CA C 36 57.570 57.570 56.937 0.633 19007 7343 1 14 . 1 1 36 36 ASP CB C 36 41.500 41.500 40.085 1.415 19007 7344 1 14 . 1 1 36 36 ASP H H 36 7.580 7.580 8.208 -0.628 19007 7345 1 14 . 1 1 37 37 GLY N N 37 107.520 107.520 109.324 -1.804 19007 7346 1 14 . 1 1 37 37 GLY C C 37 176.678 176.678 176.508 0.170 19007 7347 1 14 . 1 1 37 37 GLY CA C 37 47.340 47.340 47.048 0.292 19007 7348 1 14 . 1 1 37 37 GLY H H 37 8.210 8.210 7.537 0.673 19007 7349 1 14 . 1 1 38 38 LEU N N 38 123.680 123.680 122.400 1.280 19007 7350 1 14 . 1 1 38 38 LEU HA H 38 4.007 4.007 4.035 -0.028 19007 7351 1 14 . 1 1 38 38 LEU C C 38 177.769 177.769 178.692 -0.923 19007 7352 1 14 . 1 1 38 38 LEU CA C 38 57.970 57.970 58.208 -0.238 19007 7353 1 14 . 1 1 38 38 LEU CB C 38 42.250 42.250 41.518 0.732 19007 7354 1 14 . 1 1 38 38 LEU H H 38 8.800 8.800 8.349 0.451 19007 7355 1 14 . 1 1 39 39 GLN N N 39 118.840 118.840 119.576 -0.736 19007 7356 1 14 . 1 1 39 39 GLN HA H 39 3.887 3.887 3.820 0.067 19007 7357 1 14 . 1 1 39 39 GLN C C 39 178.443 178.443 178.069 0.374 19007 7358 1 14 . 1 1 39 39 GLN CA C 39 59.450 59.450 59.780 -0.330 19007 7359 1 14 . 1 1 39 39 GLN CB C 39 28.400 28.400 28.422 -0.022 19007 7360 1 14 . 1 1 39 39 GLN H H 39 8.460 8.460 8.473 -0.013 19007 7361 1 14 . 1 1 40 40 ASN N N 40 116.110 116.110 118.138 -2.028 19007 7362 1 14 . 1 1 40 40 ASN HA H 40 4.488 4.488 4.521 -0.033 19007 7363 1 14 . 1 1 40 40 ASN C C 40 177.491 177.491 177.909 -0.418 19007 7364 1 14 . 1 1 40 40 ASN CA C 40 56.330 56.330 56.304 0.026 19007 7365 1 14 . 1 1 40 40 ASN CB C 40 39.230 39.230 38.679 0.551 19007 7366 1 14 . 1 1 40 40 ASN H H 40 7.810 7.810 8.278 -0.468 19007 7367 1 14 . 1 1 41 41 MET N N 41 119.840 119.840 119.780 0.060 19007 7368 1 14 . 1 1 41 41 MET HA H 41 4.344 4.344 4.232 0.112 19007 7369 1 14 . 1 1 41 41 MET C C 41 177.551 177.551 178.682 -1.131 19007 7370 1 14 . 1 1 41 41 MET CA C 41 58.140 58.140 57.609 0.531 19007 7371 1 14 . 1 1 41 41 MET CB C 41 32.600 32.600 31.993 0.607 19007 7372 1 14 . 1 1 41 41 MET H H 41 8.060 8.060 7.912 0.148 19007 7373 1 14 . 1 1 42 42 LEU N N 42 116.680 116.680 119.438 -2.758 19007 7374 1 14 . 1 1 42 42 LEU HA H 42 4.236 4.236 3.875 0.361 19007 7375 1 14 . 1 1 42 42 LEU C C 42 177.055 177.055 179.035 -1.980 19007 7376 1 14 . 1 1 42 42 LEU CA C 42 55.850 55.850 58.425 -2.575 19007 7377 1 14 . 1 1 42 42 LEU CB C 42 41.490 41.490 41.235 0.255 19007 7378 1 14 . 1 1 42 42 LEU H H 42 8.280 8.280 8.807 -0.527 19007 7379 1 14 . 1 1 43 43 SER N N 43 113.420 113.420 113.764 -0.344 19007 7380 1 14 . 1 1 43 43 SER HA H 43 4.452 4.452 4.218 0.234 19007 7381 1 14 . 1 1 43 43 SER C C 43 174.755 174.755 176.313 -1.558 19007 7382 1 14 . 1 1 43 43 SER CA C 43 59.340 59.340 62.157 -2.817 19007 7383 1 14 . 1 1 43 43 SER CB C 43 63.580 63.580 63.027 0.553 19007 7384 1 14 . 1 1 43 43 SER H H 43 7.650 7.650 7.730 -0.080 19007 7385 1 14 . 1 1 44 44 ILE N N 44 120.390 120.390 119.758 0.632 19007 7386 1 14 . 1 1 44 44 ILE HA H 44 4.188 4.188 3.949 0.239 19007 7387 1 14 . 1 1 44 44 ILE C C 44 176.440 176.440 177.076 -0.636 19007 7388 1 14 . 1 1 44 44 ILE CA C 44 61.500 61.500 63.350 -1.850 19007 7389 1 14 . 1 1 44 44 ILE CB C 44 38.640 38.640 37.945 0.695 19007 7390 1 14 . 1 1 44 44 ILE H H 44 7.590 7.590 7.252 0.338 19007 7391 1 14 . 1 1 45 45 GLU N N 45 118.850 118.850 119.248 -0.398 19007 7392 1 14 . 1 1 45 45 GLU HA H 45 4.272 4.272 4.133 0.139 19007 7393 1 14 . 1 1 45 45 GLU C C 45 176.698 176.698 177.190 -0.492 19007 7394 1 14 . 1 1 45 45 GLU CA C 45 61.950 61.950 58.815 3.135 19007 7395 1 14 . 1 1 45 45 GLU CB C 45 29.840 29.840 30.756 -0.916 19007 7396 1 14 . 1 1 45 45 GLU H H 45 8.200 8.200 7.949 0.251 19007 7397 1 14 . 1 1 46 46 GLN N N 46 118.260 118.260 117.831 0.429 19007 7398 1 14 . 1 1 46 46 GLN HA H 46 4.212 4.212 4.469 -0.257 19007 7399 1 14 . 1 1 46 46 GLN C C 46 176.361 176.361 174.207 2.154 19007 7400 1 14 . 1 1 46 46 GLN CA C 46 56.770 56.770 55.954 0.816 19007 7401 1 14 . 1 1 46 46 GLN CB C 46 28.920 28.920 29.973 -1.053 19007 7402 1 14 . 1 1 46 46 GLN H H 46 8.270 8.270 7.865 0.405 19007 7403 1 14 . 1 1 47 47 TYR N N 47 117.690 117.690 121.312 -3.622 19007 7404 1 14 . 1 1 47 47 TYR HA H 47 4.701 4.701 4.842 -0.141 19007 7405 1 14 . 1 1 47 47 TYR C C 47 175.588 175.588 174.705 0.883 19007 7406 1 14 . 1 1 47 47 TYR CA C 47 58.290 58.290 56.920 1.370 19007 7407 1 14 . 1 1 47 47 TYR CB C 47 39.250 39.250 38.824 0.426 19007 7408 1 14 . 1 1 47 47 TYR H H 47 7.980 7.980 8.339 -0.359 19007 7409 1 14 . 1 1 48 48 THR N N 48 108.930 108.930 117.089 -8.159 19007 7410 1 14 . 1 1 48 48 THR HA H 48 4.464 4.464 4.153 0.311 19007 7411 1 14 . 1 1 48 48 THR C C 48 176.381 176.381 174.573 1.808 19007 7412 1 14 . 1 1 48 48 THR CA C 48 61.150 61.150 61.832 -0.682 19007 7413 1 14 . 1 1 48 48 THR CB C 48 70.190 70.190 68.271 1.919 19007 7414 1 14 . 1 1 48 48 THR H H 48 7.570 7.570 7.316 0.254 19007 7415 1 14 . 1 1 49 49 ASP N N 49 121.350 121.350 126.449 -5.099 19007 7416 1 14 . 1 1 49 49 ASP HA H 49 4.752 4.752 4.639 0.113 19007 7417 1 14 . 1 1 49 49 ASP C C 49 177.015 177.015 176.279 0.736 19007 7418 1 14 . 1 1 49 49 ASP CA C 49 53.710 53.710 52.458 1.252 19007 7419 1 14 . 1 1 49 49 ASP CB C 49 41.200 41.200 41.717 -0.516 19007 7420 1 14 . 1 1 49 49 ASP H H 49 8.100 8.100 7.894 0.206 19007 7421 1 14 . 1 1 50 50 GLY N N 50 112.360 112.360 104.521 7.839 19007 7422 1 14 . 1 1 50 50 GLY C C 50 175.449 175.449 174.063 1.386 19007 7423 1 14 . 1 1 50 50 GLY CA C 50 46.000 46.000 45.085 0.915 19007 7424 1 14 . 1 1 50 50 GLY H H 50 9.080 9.080 8.437 0.643 19007 7425 1 14 . 1 1 51 51 LYS N N 51 119.510 119.510 119.149 0.361 19007 7426 1 14 . 1 1 51 51 LYS HA H 51 4.200 4.200 4.571 -0.371 19007 7427 1 14 . 1 1 51 51 LYS C C 51 177.214 177.214 175.834 1.380 19007 7428 1 14 . 1 1 51 51 LYS CA C 51 56.540 56.540 56.489 0.051 19007 7429 1 14 . 1 1 51 51 LYS CB C 51 31.420 31.420 34.693 -3.273 19007 7430 1 14 . 1 1 51 51 LYS H H 51 8.590 8.590 8.305 0.285 19007 7431 1 14 . 1 1 52 52 GLY N N 52 108.180 108.180 109.716 -1.536 19007 7432 1 14 . 1 1 52 52 GLY C C 52 174.279 174.279 173.137 1.142 19007 7433 1 14 . 1 1 52 52 GLY CA C 52 45.450 45.450 45.719 -0.269 19007 7434 1 14 . 1 1 52 52 GLY H H 52 8.670 8.670 8.662 0.008 19007 7435 1 14 . 1 1 53 53 GLN N N 53 120.010 120.010 121.932 -1.922 19007 7436 1 14 . 1 1 53 53 GLN HA H 53 4.440 4.440 4.285 0.155 19007 7437 1 14 . 1 1 53 53 GLN C C 53 175.001 175.001 175.087 -0.086 19007 7438 1 14 . 1 1 53 53 GLN CA C 53 54.580 54.580 55.485 -0.905 19007 7439 1 14 . 1 1 53 53 GLN CB C 53 30.330 30.330 28.058 2.272 19007 7440 1 14 . 1 1 53 53 GLN H H 53 7.860 7.860 8.275 -0.415 19007 7441 1 14 . 1 1 54 54 LYS N N 54 120.420 120.420 128.094 -7.674 19007 7442 1 14 . 1 1 54 54 LYS HA H 54 4.704 4.704 4.770 -0.066 19007 7443 1 14 . 1 1 54 54 LYS C C 54 176.753 176.753 175.384 1.369 19007 7444 1 14 . 1 1 54 54 LYS CA C 54 55.830 55.830 55.544 0.286 19007 7445 1 14 . 1 1 54 54 LYS CB C 54 33.850 33.850 32.488 1.362 19007 7446 1 14 . 1 1 54 54 LYS H H 54 8.250 8.250 8.395 -0.145 19007 7447 1 14 . 1 1 55 55 ILE N N 55 125.360 125.360 129.479 -4.119 19007 7448 1 14 . 1 1 55 55 ILE HA H 55 4.169 4.169 4.485 -0.316 19007 7449 1 14 . 1 1 55 55 ILE C C 55 174.405 174.405 175.000 -0.595 19007 7450 1 14 . 1 1 55 55 ILE CA C 55 60.350 60.350 60.401 -0.052 19007 7451 1 14 . 1 1 55 55 ILE CB C 55 39.690 39.690 36.811 2.879 19007 7452 1 14 . 1 1 55 55 ILE H H 55 9.050 9.050 8.436 0.614 19007 7453 1 14 . 1 1 56 56 SER N N 56 121.850 121.850 120.787 1.063 19007 7454 1 14 . 1 1 56 56 SER HA H 56 4.480 4.480 4.925 -0.445 19007 7455 1 14 . 1 1 56 56 SER C C 56 174.105 174.105 173.641 0.464 19007 7456 1 14 . 1 1 56 56 SER CA C 56 57.410 57.410 56.476 0.934 19007 7457 1 14 . 1 1 56 56 SER CB C 56 64.080 64.080 62.973 1.107 19007 7458 1 14 . 1 1 56 56 SER H H 56 8.330 8.330 7.851 0.479 19007 7459 1 14 . 1 1 57 57 VAL N N 57 123.190 123.190 127.032 -3.842 19007 7460 1 14 . 1 1 57 57 VAL HA H 57 4.861 4.861 3.962 0.899 19007 7461 1 14 . 1 1 57 57 VAL C C 57 174.869 174.869 175.007 -0.138 19007 7462 1 14 . 1 1 57 57 VAL CA C 57 61.130 61.130 62.551 -1.421 19007 7463 1 14 . 1 1 57 57 VAL CB C 57 33.600 33.600 31.174 2.425 19007 7464 1 14 . 1 1 57 57 VAL H H 57 8.680 8.680 8.676 0.004 19007 7465 1 14 . 1 1 58 58 HIS N N 58 129.590 129.590 127.986 1.604 19007 7466 1 14 . 1 1 58 58 HIS HA H 58 5.076 5.076 5.238 -0.162 19007 7467 1 14 . 1 1 58 58 HIS C C 58 174.351 174.351 175.010 -0.659 19007 7468 1 14 . 1 1 58 58 HIS CA C 58 54.420 54.420 54.050 0.370 19007 7469 1 14 . 1 1 58 58 HIS CB C 58 31.720 31.720 30.186 1.534 19007 7470 1 14 . 1 1 58 58 HIS H H 58 9.050 9.050 8.261 0.789 19007 7471 1 14 . 1 1 59 59 VAL N N 59 125.260 125.260 119.024 6.236 19007 7472 1 14 . 1 1 59 59 VAL HA H 59 4.408 4.408 4.684 -0.276 19007 7473 1 14 . 1 1 59 59 VAL C C 59 174.460 174.460 174.191 0.269 19007 7474 1 14 . 1 1 59 59 VAL CA C 59 62.370 62.370 60.028 2.342 19007 7475 1 14 . 1 1 59 59 VAL CB C 59 32.760 32.760 33.833 -1.073 19007 7476 1 14 . 1 1 59 59 VAL H H 59 8.800 8.800 8.690 0.110 19007 7477 1 14 . 1 1 60 60 LYS N N 60 128.520 128.520 124.118 4.402 19007 7478 1 14 . 1 1 60 60 LYS HA H 60 4.909 4.909 4.742 0.167 19007 7479 1 14 . 1 1 60 60 LYS C C 60 175.825 175.825 177.015 -1.190 19007 7480 1 14 . 1 1 60 60 LYS CA C 60 54.450 54.450 55.091 -0.641 19007 7481 1 14 . 1 1 60 60 LYS CB C 60 32.490 32.490 32.358 0.132 19007 7482 1 14 . 1 1 60 60 LYS H H 60 9.040 9.040 8.934 0.106 19007 7483 1 14 . 1 1 61 61 LEU N N 61 121.430 121.430 121.188 0.242 19007 7484 1 14 . 1 1 61 61 LEU HA H 61 4.527 4.527 4.878 -0.351 19007 7485 1 14 . 1 1 61 61 LEU C C 61 178.910 178.910 178.458 0.452 19007 7486 1 14 . 1 1 61 61 LEU CA C 61 54.410 54.410 55.497 -1.087 19007 7487 1 14 . 1 1 61 61 LEU CB C 61 44.330 44.330 42.522 1.808 19007 7488 1 14 . 1 1 61 61 LEU H H 61 8.700 8.700 8.830 -0.130 19007 7489 1 14 . 1 1 62 62 GLY N N 62 110.520 110.520 106.991 3.529 19007 7490 1 14 . 1 1 62 62 GLY C C 62 175.350 175.350 174.469 0.881 19007 7491 1 14 . 1 1 62 62 GLY CA C 62 46.710 46.710 47.100 -0.390 19007 7492 1 14 . 1 1 62 62 GLY H H 62 9.060 9.060 8.118 0.942 19007 7493 1 14 . 1 1 63 63 ASN N N 63 127.090 127.090 123.513 3.577 19007 7494 1 14 . 1 1 63 63 ASN HA H 63 4.778 4.778 4.807 -0.029 19007 7495 1 14 . 1 1 63 63 ASN C C 63 174.214 174.214 175.774 -1.560 19007 7496 1 14 . 1 1 63 63 ASN CA C 63 52.910 52.910 52.328 0.582 19007 7497 1 14 . 1 1 63 63 ASN CB C 63 38.100 38.100 37.905 0.195 19007 7498 1 14 . 1 1 63 63 ASN H H 63 10.390 10.390 8.286 2.104 19007 7499 1 14 . 1 1 64 64 ARG N N 64 121.850 121.850 120.893 0.957 19007 7500 1 14 . 1 1 64 64 ARG HA H 64 4.265 4.265 4.183 0.082 19007 7501 1 14 . 1 1 64 64 ARG C C 64 174.214 174.214 176.246 -2.032 19007 7502 1 14 . 1 1 64 64 ARG CA C 64 56.330 56.330 57.885 -1.555 19007 7503 1 14 . 1 1 64 64 ARG CB C 64 33.860 33.860 30.654 3.206 19007 7504 1 14 . 1 1 64 64 ARG H H 64 7.520 7.520 7.588 -0.068 19007 7505 1 14 . 1 1 65 65 PHE N N 65 127.760 127.760 117.528 10.232 19007 7506 1 14 . 1 1 65 65 PHE HA H 65 4.503 4.503 4.240 0.263 19007 7507 1 14 . 1 1 65 65 PHE C C 65 176.508 176.508 174.204 2.304 19007 7508 1 14 . 1 1 65 65 PHE CA C 65 56.760 56.760 57.962 -1.202 19007 7509 1 14 . 1 1 65 65 PHE CB C 65 40.430 40.430 38.091 2.339 19007 7510 1 14 . 1 1 65 65 PHE H H 65 8.580 8.580 8.163 0.417 19007 7511 1 14 . 1 1 66 66 LEU N N 66 125.260 125.260 125.643 -0.383 19007 7512 1 14 . 1 1 66 66 LEU HA H 66 4.288 4.288 4.582 -0.294 19007 7513 1 14 . 1 1 66 66 LEU C C 66 176.508 176.508 176.778 -0.270 19007 7514 1 14 . 1 1 66 66 LEU CA C 66 53.080 53.080 53.568 -0.488 19007 7515 1 14 . 1 1 66 66 LEU CB C 66 43.170 43.170 44.116 -0.946 19007 7516 1 14 . 1 1 66 66 LEU H H 66 8.040 8.040 7.953 0.087 19007 7517 1 14 . 1 1 67 67 TYR N N 67 120.480 120.480 123.449 -2.969 19007 7518 1 14 . 1 1 67 67 TYR HA H 67 4.515 4.515 4.288 0.227 19007 7519 1 14 . 1 1 67 67 TYR C C 67 177.791 177.791 176.454 1.337 19007 7520 1 14 . 1 1 67 67 TYR CA C 67 58.120 58.120 58.186 -0.066 19007 7521 1 14 . 1 1 67 67 TYR CB C 67 39.320 39.320 36.905 2.415 19007 7522 1 14 . 1 1 67 67 TYR H H 67 7.880 7.880 8.784 -0.904 19007 7523 1 14 . 1 1 68 68 LYS N N 68 125.020 125.020 123.465 1.555 19007 7524 1 14 . 1 1 68 68 LYS HA H 68 4.034 4.034 4.135 -0.101 19007 7525 1 14 . 1 1 68 68 LYS C C 68 178.364 178.364 177.678 0.686 19007 7526 1 14 . 1 1 68 68 LYS CA C 68 60.130 60.130 59.530 0.600 19007 7527 1 14 . 1 1 68 68 LYS CB C 68 32.150 32.150 32.439 -0.289 19007 7528 1 14 . 1 1 68 68 LYS H H 68 9.120 9.120 7.862 1.258 19007 7529 1 14 . 1 1 69 69 GLU N N 69 116.430 116.430 117.528 -1.098 19007 7530 1 14 . 1 1 69 69 GLU HA H 69 4.133 4.133 4.008 0.125 19007 7531 1 14 . 1 1 69 69 GLU C C 69 179.538 179.538 179.315 0.223 19007 7532 1 14 . 1 1 69 69 GLU CA C 69 60.030 60.030 59.389 0.641 19007 7533 1 14 . 1 1 69 69 GLU CB C 69 28.560 28.560 28.389 0.171 19007 7534 1 14 . 1 1 69 69 GLU H H 69 9.460 9.460 8.639 0.821 19007 7535 1 14 . 1 1 70 70 GLN N N 70 117.670 117.670 118.297 -0.627 19007 7536 1 14 . 1 1 70 70 GLN HA H 70 4.120 4.120 4.142 -0.022 19007 7537 1 14 . 1 1 70 70 GLN C C 70 177.955 177.955 178.632 -0.677 19007 7538 1 14 . 1 1 70 70 GLN CA C 70 57.950 57.950 58.525 -0.575 19007 7539 1 14 . 1 1 70 70 GLN CB C 70 29.290 29.290 28.418 0.872 19007 7540 1 14 . 1 1 70 70 GLN H H 70 7.000 7.000 7.996 -0.996 19007 7541 1 14 . 1 1 71 71 GLU N N 71 120.850 120.850 120.396 0.454 19007 7542 1 14 . 1 1 71 71 GLU HA H 71 3.668 3.668 3.998 -0.330 19007 7543 1 14 . 1 1 71 71 GLU C C 71 179.429 179.429 179.167 0.262 19007 7544 1 14 . 1 1 71 71 GLU CA C 71 60.620 60.620 59.726 0.894 19007 7545 1 14 . 1 1 71 71 GLU CB C 71 29.660 29.660 29.417 0.243 19007 7546 1 14 . 1 1 71 71 GLU H H 71 8.080 8.080 7.628 0.452 19007 7547 1 14 . 1 1 72 72 GLU N N 72 119.670 119.670 120.144 -0.474 19007 7548 1 14 . 1 1 72 72 GLU HA H 72 4.038 4.038 3.960 0.078 19007 7549 1 14 . 1 1 72 72 GLU C C 72 178.446 178.446 178.949 -0.503 19007 7550 1 14 . 1 1 72 72 GLU CA C 72 59.690 59.690 59.656 0.034 19007 7551 1 14 . 1 1 72 72 GLU CB C 72 29.350 29.350 29.727 -0.377 19007 7552 1 14 . 1 1 72 72 GLU H H 72 8.390 8.390 8.560 -0.170 19007 7553 1 14 . 1 1 73 73 GLN N N 73 119.030 119.030 117.987 1.043 19007 7554 1 14 . 1 1 73 73 GLN HA H 73 4.110 4.110 4.088 0.022 19007 7555 1 14 . 1 1 73 73 GLN C C 73 179.320 179.320 178.166 1.154 19007 7556 1 14 . 1 1 73 73 GLN CA C 73 59.470 59.470 58.633 0.838 19007 7557 1 14 . 1 1 73 73 GLN CB C 73 29.480 29.480 28.727 0.753 19007 7558 1 14 . 1 1 73 73 GLN H H 73 7.730 7.730 7.976 -0.246 19007 7559 1 14 . 1 1 74 74 LEU N N 74 119.760 119.760 115.768 3.992 19007 7560 1 14 . 1 1 74 74 LEU HA H 74 3.918 3.918 4.497 -0.579 19007 7561 1 14 . 1 1 74 74 LEU C C 74 177.818 177.818 178.981 -1.163 19007 7562 1 14 . 1 1 74 74 LEU CA C 74 58.720 58.720 57.150 1.570 19007 7563 1 14 . 1 1 74 74 LEU CB C 74 42.890 42.890 41.816 1.075 19007 7564 1 14 . 1 1 74 74 LEU H H 74 8.290 8.290 7.602 0.688 19007 7565 1 14 . 1 1 75 75 THR N N 75 113.520 113.520 117.388 -3.868 19007 7566 1 14 . 1 1 75 75 THR HA H 75 3.680 3.680 3.979 -0.299 19007 7567 1 14 . 1 1 75 75 THR C C 75 176.480 176.480 176.355 0.125 19007 7568 1 14 . 1 1 75 75 THR CA C 75 66.990 66.990 67.187 -0.197 19007 7569 1 14 . 1 1 75 75 THR CB C 75 68.640 68.640 68.263 0.378 19007 7570 1 14 . 1 1 75 75 THR H H 75 8.450 8.450 8.306 0.144 19007 7571 1 14 . 1 1 76 76 GLU N N 76 121.340 121.340 121.166 0.174 19007 7572 1 14 . 1 1 76 76 GLU HA H 76 4.014 4.014 4.040 -0.026 19007 7573 1 14 . 1 1 76 76 GLU C C 76 178.965 178.965 178.716 0.249 19007 7574 1 14 . 1 1 76 76 GLU CA C 76 59.190 59.190 59.302 -0.112 19007 7575 1 14 . 1 1 76 76 GLU CB C 76 29.590 29.590 29.173 0.417 19007 7576 1 14 . 1 1 76 76 GLU H H 76 8.330 8.330 7.874 0.456 19007 7577 1 14 . 1 1 77 77 LEU N N 77 120.170 120.170 117.919 2.251 19007 7578 1 14 . 1 1 77 77 LEU HA H 77 3.955 3.955 4.129 -0.174 19007 7579 1 14 . 1 1 77 77 LEU C C 77 180.057 180.057 178.397 1.660 19007 7580 1 14 . 1 1 77 77 LEU CA C 77 58.510 58.510 57.498 1.012 19007 7581 1 14 . 1 1 77 77 LEU CB C 77 42.716 42.716 42.103 0.613 19007 7582 1 14 . 1 1 77 77 LEU H H 77 7.560 7.560 7.476 0.084 19007 7583 1 14 . 1 1 78 78 ILE N N 78 119.930 119.930 116.043 3.887 19007 7584 1 14 . 1 1 78 78 ILE HA H 78 3.429 3.429 3.861 -0.432 19007 7585 1 14 . 1 1 78 78 ILE C C 78 176.043 176.043 177.666 -1.623 19007 7586 1 14 . 1 1 78 78 ILE CA C 78 65.740 65.740 62.072 3.668 19007 7587 1 14 . 1 1 78 78 ILE CB C 78 37.960 37.960 38.029 -0.069 19007 7588 1 14 . 1 1 78 78 ILE H H 78 7.740 7.740 7.488 0.252 19007 7589 1 14 . 1 1 79 79 ALA N N 79 116.940 116.940 123.964 -7.024 19007 7590 1 14 . 1 1 79 79 ALA HA H 79 4.229 4.229 4.014 0.215 19007 7591 1 14 . 1 1 79 79 ALA C C 79 178.719 178.719 179.451 -0.732 19007 7592 1 14 . 1 1 79 79 ALA CA C 79 53.390 53.390 55.263 -1.873 19007 7593 1 14 . 1 1 79 79 ALA CB C 79 18.500 18.500 17.797 0.703 19007 7594 1 14 . 1 1 79 79 ALA H H 79 8.210 8.210 8.353 -0.143 19007 7595 1 14 . 1 1 80 80 SER N N 80 113.260 113.260 113.602 -0.342 19007 7596 1 14 . 1 1 80 80 SER HA H 80 4.253 4.253 4.249 0.004 19007 7597 1 14 . 1 1 80 80 SER C C 80 174.869 174.869 175.150 -0.281 19007 7598 1 14 . 1 1 80 80 SER CA C 80 60.550 60.550 60.320 0.230 19007 7599 1 14 . 1 1 80 80 SER CB C 80 63.130 63.130 63.426 -0.296 19007 7600 1 14 . 1 1 80 80 SER H H 80 7.600 7.600 7.890 -0.290 19007 7601 1 14 . 1 1 81 81 LYS N N 81 123.510 123.510 118.383 5.127 19007 7602 1 14 . 1 1 81 81 LYS HA H 81 4.527 4.527 4.651 -0.124 19007 7603 1 14 . 1 1 81 81 LYS C C 81 176.289 176.289 175.344 0.945 19007 7604 1 14 . 1 1 81 81 LYS CA C 81 54.000 54.000 54.979 -0.979 19007 7605 1 14 . 1 1 81 81 LYS CB C 81 30.440 30.440 32.693 -2.253 19007 7606 1 14 . 1 1 81 81 LYS H H 81 7.690 7.690 7.542 0.148 19007 7607 1 14 . 1 1 82 82 LYS N N 82 120.760 120.760 120.849 -0.089 19007 7608 1 14 . 1 1 82 82 LYS HA H 82 4.539 4.539 4.187 0.352 19007 7609 1 14 . 1 1 82 82 LYS C C 82 176.835 176.835 175.845 0.990 19007 7610 1 14 . 1 1 82 82 LYS CA C 82 59.090 59.090 56.805 2.285 19007 7611 1 14 . 1 1 82 82 LYS CB C 82 32.330 32.330 30.342 1.988 19007 7612 1 14 . 1 1 82 82 LYS H H 82 8.190 8.190 7.596 0.594 19007 7613 1 14 . 1 1 83 83 ASP N N 83 117.280 117.280 120.425 -3.145 19007 7614 1 14 . 1 1 83 83 ASP HA H 83 4.659 4.659 4.572 0.087 19007 7615 1 14 . 1 1 83 83 ASP C C 83 174.460 174.460 176.447 -1.987 19007 7616 1 14 . 1 1 83 83 ASP CA C 83 55.390 55.390 54.867 0.523 19007 7617 1 14 . 1 1 83 83 ASP CB C 83 40.680 40.680 41.409 -0.729 19007 7618 1 14 . 1 1 83 83 ASP H H 83 8.670 8.670 8.317 0.353 19007 7619 1 14 . 1 1 84 84 LEU N N 84 117.780 117.780 118.689 -0.909 19007 7620 1 14 . 1 1 84 84 LEU HA H 84 5.100 5.100 4.020 1.080 19007 7621 1 14 . 1 1 84 84 LEU C C 84 176.753 176.753 177.602 -0.849 19007 7622 1 14 . 1 1 84 84 LEU CA C 84 54.560 54.560 53.239 1.321 19007 7623 1 14 . 1 1 84 84 LEU CB C 84 43.690 43.690 41.772 1.918 19007 7624 1 14 . 1 1 84 84 LEU H H 84 7.640 7.640 7.477 0.163 19007 7625 1 14 . 1 1 85 85 PHE N N 85 117.610 117.610 120.249 -2.639 19007 7626 1 14 . 1 1 85 85 PHE HA H 85 4.754 4.754 4.537 0.217 19007 7627 1 14 . 1 1 85 85 PHE C C 85 173.204 173.204 174.758 -1.554 19007 7628 1 14 . 1 1 85 85 PHE CA C 85 56.400 56.400 57.090 -0.690 19007 7629 1 14 . 1 1 85 85 PHE CB C 85 42.000 42.000 37.024 4.976 19007 7630 1 14 . 1 1 85 85 PHE H H 85 8.280 8.280 8.048 0.232 19007 7631 1 14 . 1 1 86 86 VAL N N 86 123.600 123.600 121.134 2.466 19007 7632 1 14 . 1 1 86 86 VAL HA H 86 3.882 3.882 4.609 -0.727 19007 7633 1 14 . 1 1 86 86 VAL C C 86 174.651 174.651 175.422 -0.771 19007 7634 1 14 . 1 1 86 86 VAL CA C 86 63.640 63.640 60.457 3.183 19007 7635 1 14 . 1 1 86 86 VAL CB C 86 31.440 31.440 33.545 -2.105 19007 7636 1 14 . 1 1 86 86 VAL H H 86 8.880 8.880 8.019 0.861 19007 7637 1 14 . 1 1 87 87 HIS N N 87 130.690 130.690 126.948 3.742 19007 7638 1 14 . 1 1 87 87 HIS HA H 87 4.420 4.420 4.749 -0.329 19007 7639 1 14 . 1 1 87 87 HIS C C 87 175.497 175.497 173.501 1.996 19007 7640 1 14 . 1 1 87 87 HIS CA C 87 58.090 58.090 55.681 2.409 19007 7641 1 14 . 1 1 87 87 HIS CB C 87 32.870 32.870 31.589 1.281 19007 7642 1 14 . 1 1 87 87 HIS H H 87 9.320 9.320 8.742 0.578 19007 7643 1 14 . 1 1 88 88 SER N N 88 109.280 109.280 118.748 -9.468 19007 7644 1 14 . 1 1 88 88 SER HA H 88 4.503 4.503 5.196 -0.693 19007 7645 1 14 . 1 1 88 88 SER C C 88 172.248 172.248 173.585 -1.337 19007 7646 1 14 . 1 1 88 88 SER CA C 88 57.560 57.560 57.784 -0.224 19007 7647 1 14 . 1 1 88 88 SER CB C 88 64.890 64.890 64.861 0.029 19007 7648 1 14 . 1 1 88 88 SER H H 88 7.370 7.370 8.489 -1.119 19007 7649 1 14 . 1 1 89 89 ILE N N 89 122.260 122.260 125.222 -2.962 19007 7650 1 14 . 1 1 89 89 ILE HA H 89 4.265 4.265 4.545 -0.280 19007 7651 1 14 . 1 1 89 89 ILE C C 89 174.569 174.569 173.311 1.258 19007 7652 1 14 . 1 1 89 89 ILE CA C 89 61.110 61.110 60.464 0.646 19007 7653 1 14 . 1 1 89 89 ILE CB C 89 39.960 39.960 42.194 -2.234 19007 7654 1 14 . 1 1 89 89 ILE H H 89 8.400 8.400 9.206 -0.806 19007 7655 1 14 . 1 1 90 90 ASP N N 90 126.690 126.690 125.501 1.189 19007 7656 1 14 . 1 1 90 90 ASP HA H 90 5.064 5.064 5.656 -0.592 19007 7657 1 14 . 1 1 90 90 ASP C C 90 174.469 174.469 176.407 -1.938 19007 7658 1 14 . 1 1 90 90 ASP CA C 90 53.600 53.600 52.369 1.231 19007 7659 1 14 . 1 1 90 90 ASP CB C 90 44.230 44.230 43.466 0.764 19007 7660 1 14 . 1 1 90 90 ASP H H 90 8.800 8.800 8.472 0.328 19007 7661 1 14 . 1 1 91 91 SER N N 91 116.760 116.760 120.740 -3.980 19007 7662 1 14 . 1 1 91 91 SER HA H 91 4.781 4.781 4.589 0.192 19007 7663 1 14 . 1 1 91 91 SER C C 91 173.164 173.164 174.117 -0.953 19007 7664 1 14 . 1 1 91 91 SER CA C 91 57.430 57.430 56.940 0.490 19007 7665 1 14 . 1 1 91 91 SER CB C 91 65.250 65.250 61.312 3.938 19007 7666 1 14 . 1 1 91 91 SER H H 91 8.500 8.500 8.464 0.036 19007 7667 1 14 . 1 1 92 92 GLU N N 92 123.420 123.420 121.133 2.287 19007 7668 1 14 . 1 1 92 92 GLU HA H 92 4.355 4.355 4.228 0.127 19007 7669 1 14 . 1 1 92 92 GLU C C 92 176.419 176.419 176.695 -0.276 19007 7670 1 14 . 1 1 92 92 GLU CA C 92 56.250 56.250 56.883 -0.632 19007 7671 1 14 . 1 1 92 92 GLU CB C 92 30.730 30.730 29.726 1.004 19007 7672 1 14 . 1 1 92 92 GLU H H 92 8.620 8.620 7.711 0.909 19007 7673 1 14 . 1 1 93 93 VAL N N 93 122.090 122.090 123.362 -1.272 19007 7674 1 14 . 1 1 93 93 VAL HA H 93 4.105 4.105 3.922 0.183 19007 7675 1 14 . 1 1 93 93 VAL CA C 93 62.240 62.240 62.840 -0.600 19007 7676 1 14 . 1 1 93 93 VAL CB C 93 32.860 32.860 33.566 -0.706 19007 7677 1 14 . 1 1 93 93 VAL H H 93 8.220 8.220 7.827 0.393 19007 7678 1 14 . 1 1 96 96 LYS HA H 96 4.079 4.079 4.529 -0.450 19007 7679 1 14 . 1 1 96 96 LYS C C 96 176.053 176.053 175.017 1.036 19007 7680 1 14 . 1 1 96 96 LYS CA C 96 62.497 62.497 55.710 6.787 19007 7681 1 14 . 1 1 96 96 LYS CB C 96 32.776 32.776 33.653 -0.877 19007 7682 1 14 . 1 1 97 97 LYS N N 97 126.170 126.170 125.586 0.584 19007 7683 1 14 . 1 1 97 97 LYS HA H 97 4.300 4.300 4.597 -0.297 19007 7684 1 14 . 1 1 97 97 LYS C C 97 176.665 176.665 176.504 0.161 19007 7685 1 14 . 1 1 97 97 LYS CA C 97 56.730 56.730 56.271 0.459 19007 7686 1 14 . 1 1 97 97 LYS CB C 97 33.020 33.020 33.954 -0.934 19007 7687 1 14 . 1 1 97 97 LYS H H 97 8.500 8.500 8.559 -0.059 19007 7688 1 14 . 1 1 98 98 GLU N N 98 122.020 122.020 126.893 -4.873 19007 7689 1 14 . 1 1 98 98 GLU HA H 98 4.226 4.226 4.432 -0.206 19007 7690 1 14 . 1 1 98 98 GLU C C 98 176.382 176.382 175.488 0.894 19007 7691 1 14 . 1 1 98 98 GLU CA C 98 56.890 56.890 55.848 1.042 19007 7692 1 14 . 1 1 98 98 GLU CB C 98 30.410 30.410 28.693 1.717 19007 7693 1 14 . 1 1 98 98 GLU H H 98 8.470 8.470 9.007 -0.537 19007 7694 1 14 . 1 1 99 99 ALA N N 99 124.770 124.770 124.488 0.282 19007 7695 1 14 . 1 1 99 99 ALA HA H 99 4.281 4.281 4.581 -0.300 19007 7696 1 14 . 1 1 99 99 ALA C C 99 177.723 177.723 176.647 1.076 19007 7697 1 14 . 1 1 99 99 ALA CA C 99 52.880 52.880 51.969 0.910 19007 7698 1 14 . 1 1 99 99 ALA CB C 99 19.320 19.320 18.639 0.681 19007 7699 1 14 . 1 1 99 99 ALA H H 99 8.310 8.310 7.968 0.342 19007 7700 1 14 . 1 1 100 100 GLN N N 100 119.190 119.190 121.902 -2.712 19007 7701 1 14 . 1 1 100 100 GLN HA H 100 4.266 4.266 4.482 -0.216 19007 7702 1 14 . 1 1 100 100 GLN CA C 100 56.000 56.000 55.153 0.848 19007 7703 1 14 . 1 1 100 100 GLN CB C 100 29.970 29.970 31.545 -1.575 19007 7704 1 14 . 1 1 100 100 GLN H H 100 8.280 8.280 8.359 -0.079 19007 7705 1 14 . 1 1 101 101 GLN N N 101 120.421 120.421 123.762 -3.341 19007 7706 1 14 . 1 1 101 101 GLN HA H 101 4.650 4.650 4.506 0.144 19007 7707 1 14 . 1 1 101 101 GLN C C 101 175.725 175.725 174.586 1.139 19007 7708 1 14 . 1 1 101 101 GLN CA C 101 56.073 56.073 56.082 -0.009 19007 7709 1 14 . 1 1 101 101 GLN CB C 101 29.524 29.524 27.948 1.576 19007 7710 1 14 . 1 1 101 101 GLN H H 101 8.114 8.114 8.431 -0.317 19007 7711 1 14 . 1 1 102 102 ILE N N 102 122.940 122.940 125.295 -2.355 19007 7712 1 14 . 1 1 102 102 ILE HA H 102 4.119 4.119 4.354 -0.235 19007 7713 1 14 . 1 1 102 102 ILE C C 102 175.916 175.916 173.692 2.224 19007 7714 1 14 . 1 1 102 102 ILE CA C 102 61.260 61.260 60.960 0.300 19007 7715 1 14 . 1 1 102 102 ILE CB C 102 38.790 38.790 39.900 -1.110 19007 7716 1 14 . 1 1 102 102 ILE H H 102 8.240 8.240 8.018 0.222 19007 7717 1 14 . 1 1 103 103 ARG N N 103 125.780 125.780 125.876 -0.096 19007 7718 1 14 . 1 1 103 103 ARG HA H 103 4.369 4.369 4.658 -0.289 19007 7719 1 14 . 1 1 103 103 ARG C C 103 175.752 175.752 175.734 0.018 19007 7720 1 14 . 1 1 103 103 ARG CA C 103 55.940 55.940 55.667 0.272 19007 7721 1 14 . 1 1 103 103 ARG CB C 103 31.340 31.340 31.761 -0.421 19007 7722 1 14 . 1 1 103 103 ARG H H 103 8.400 8.400 8.317 0.083 19007 7723 1 14 . 1 1 104 104 GLU N N 104 123.840 123.840 121.707 2.133 19007 7724 1 14 . 1 1 104 104 GLU HA H 104 4.296 4.296 4.378 -0.082 19007 7725 1 14 . 1 1 104 104 GLU C C 104 175.314 175.314 175.670 -0.356 19007 7726 1 14 . 1 1 104 104 GLU CA C 104 56.430 56.430 56.906 -0.475 19007 7727 1 14 . 1 1 104 104 GLU CB C 104 30.560 30.560 29.936 0.623 19007 7728 1 14 . 1 1 104 104 GLU H H 104 8.510 8.510 8.750 -0.240 19007 7729 1 15 . 1 1 6 6 THR HA H 6 4.321 4.321 4.496 -0.175 19007 7730 1 15 . 1 1 6 6 THR C C 6 174.339 174.339 174.326 0.013 19007 7731 1 15 . 1 1 6 6 THR CA C 6 62.139 62.139 61.679 0.460 19007 7732 1 15 . 1 1 6 6 THR CB C 6 69.788 69.788 69.809 -0.021 19007 7733 1 15 . 1 1 7 7 LYS N N 7 124.350 124.350 121.243 3.107 19007 7734 1 15 . 1 1 7 7 LYS HA H 7 4.265 4.265 4.056 0.209 19007 7735 1 15 . 1 1 7 7 LYS C C 7 176.341 176.341 175.785 0.556 19007 7736 1 15 . 1 1 7 7 LYS CA C 7 56.980 56.980 57.275 -0.295 19007 7737 1 15 . 1 1 7 7 LYS CB C 7 33.110 33.110 32.674 0.436 19007 7738 1 15 . 1 1 7 7 LYS H H 7 8.320 8.320 8.274 0.046 19007 7739 1 15 . 1 1 8 8 LYS N N 8 123.170 123.170 122.467 0.703 19007 7740 1 15 . 1 1 8 8 LYS HA H 8 4.253 4.253 4.439 -0.186 19007 7741 1 15 . 1 1 8 8 LYS C C 8 176.083 176.083 175.922 0.161 19007 7742 1 15 . 1 1 8 8 LYS CA C 8 56.450 56.450 55.368 1.082 19007 7743 1 15 . 1 1 8 8 LYS CB C 8 33.480 33.480 33.919 -0.439 19007 7744 1 15 . 1 1 8 8 LYS H H 8 8.340 8.340 8.187 0.153 19007 7745 1 15 . 1 1 9 9 GLN N N 9 123.010 123.010 121.239 1.771 19007 7746 1 15 . 1 1 9 9 GLN HA H 9 4.289 4.289 4.386 -0.097 19007 7747 1 15 . 1 1 9 9 GLN C C 9 174.914 174.914 175.362 -0.448 19007 7748 1 15 . 1 1 9 9 GLN CA C 9 56.520 56.520 56.706 -0.186 19007 7749 1 15 . 1 1 9 9 GLN CB C 9 30.790 30.790 29.547 1.243 19007 7750 1 15 . 1 1 9 9 GLN H H 9 8.440 8.440 8.793 -0.353 19007 7751 1 15 . 1 1 10 10 GLN N N 10 121.180 121.180 119.814 1.366 19007 7752 1 15 . 1 1 10 10 GLN HA H 10 4.769 4.769 4.785 -0.016 19007 7753 1 15 . 1 1 10 10 GLN C C 10 175.865 175.865 174.411 1.454 19007 7754 1 15 . 1 1 10 10 GLN CA C 10 55.580 55.580 55.060 0.520 19007 7755 1 15 . 1 1 10 10 GLN CB C 10 29.630 29.630 30.047 -0.418 19007 7756 1 15 . 1 1 10 10 GLN H H 10 8.170 8.170 8.284 -0.114 19007 7757 1 15 . 1 1 11 11 TYR N N 11 120.110 120.110 123.488 -3.378 19007 7758 1 15 . 1 1 11 11 TYR HA H 11 4.769 4.769 4.720 0.049 19007 7759 1 15 . 1 1 11 11 TYR C C 11 174.319 174.319 173.611 0.708 19007 7760 1 15 . 1 1 11 11 TYR CA C 11 58.490 58.490 57.503 0.987 19007 7761 1 15 . 1 1 11 11 TYR CB C 11 39.350 39.350 42.436 -3.086 19007 7762 1 15 . 1 1 11 11 TYR H H 11 8.470 8.470 8.738 -0.268 19007 7763 1 15 . 1 1 12 12 VAL N N 12 117.030 117.030 121.719 -4.689 19007 7764 1 15 . 1 1 12 12 VAL HA H 12 4.793 4.793 5.463 -0.670 19007 7765 1 15 . 1 1 12 12 VAL C C 12 174.636 174.636 174.250 0.386 19007 7766 1 15 . 1 1 12 12 VAL CA C 12 60.730 60.730 60.371 0.359 19007 7767 1 15 . 1 1 12 12 VAL CB C 12 34.790 34.790 35.337 -0.547 19007 7768 1 15 . 1 1 12 12 VAL H H 12 7.590 7.590 8.304 -0.714 19007 7769 1 15 . 1 1 13 13 THR N N 13 121.770 121.770 122.650 -0.880 19007 7770 1 15 . 1 1 13 13 THR HA H 13 4.615 4.615 4.722 -0.107 19007 7771 1 15 . 1 1 13 13 THR C C 13 173.030 173.030 172.221 0.809 19007 7772 1 15 . 1 1 13 13 THR CA C 13 61.540 61.540 61.528 0.012 19007 7773 1 15 . 1 1 13 13 THR CB C 13 71.050 71.050 70.936 0.114 19007 7774 1 15 . 1 1 13 13 THR H H 13 8.620 8.620 8.825 -0.205 19007 7775 1 15 . 1 1 14 14 ILE N N 14 126.190 126.190 125.926 0.264 19007 7776 1 15 . 1 1 14 14 ILE HA H 14 4.781 4.781 4.800 -0.019 19007 7777 1 15 . 1 1 14 14 ILE C C 14 175.112 175.112 174.970 0.142 19007 7778 1 15 . 1 1 14 14 ILE CA C 14 61.120 61.120 60.359 0.760 19007 7779 1 15 . 1 1 14 14 ILE CB C 14 40.340 40.340 41.538 -1.198 19007 7780 1 15 . 1 1 14 14 ILE H H 14 8.890 8.890 8.550 0.340 19007 7781 1 15 . 1 1 15 15 LYS N N 15 127.020 127.020 128.037 -1.017 19007 7782 1 15 . 1 1 15 15 LYS HA H 15 4.734 4.734 4.692 0.042 19007 7783 1 15 . 1 1 15 15 LYS C C 15 175.409 175.409 175.065 0.344 19007 7784 1 15 . 1 1 15 15 LYS CA C 15 54.740 54.740 55.583 -0.843 19007 7785 1 15 . 1 1 15 15 LYS CB C 15 35.430 35.430 34.254 1.176 19007 7786 1 15 . 1 1 15 15 LYS H H 15 8.850 8.850 9.142 -0.292 19007 7787 1 15 . 1 1 16 16 GLY N N 16 112.120 112.120 112.565 -0.445 19007 7788 1 15 . 1 1 16 16 GLY C C 16 172.566 172.566 173.433 -0.867 19007 7789 1 15 . 1 1 16 16 GLY CA C 16 45.560 45.560 45.077 0.484 19007 7790 1 15 . 1 1 16 16 GLY H H 16 8.870 8.870 8.604 0.266 19007 7791 1 15 . 1 1 17 17 THR N N 17 114.520 114.520 115.234 -0.714 19007 7792 1 15 . 1 1 17 17 THR HA H 17 4.753 4.753 4.457 0.296 19007 7793 1 15 . 1 1 17 17 THR CA C 17 60.360 60.360 61.755 -1.395 19007 7794 1 15 . 1 1 17 17 THR CB C 17 72.040 72.040 69.535 2.505 19007 7795 1 15 . 1 1 17 17 THR H H 17 8.380 8.380 7.630 0.750 19007 7796 1 15 . 1 1 19 19 ASN HA H 19 4.778 4.778 4.845 -0.067 19007 7797 1 15 . 1 1 19 19 ASN C C 19 174.616 174.616 174.795 -0.179 19007 7798 1 15 . 1 1 19 19 ASN CA C 19 53.700 53.700 52.035 1.665 19007 7799 1 15 . 1 1 19 19 ASN CB C 19 39.018 39.018 42.288 -3.270 19007 7800 1 15 . 1 1 20 20 GLY N N 20 108.600 108.600 108.413 0.187 19007 7801 1 15 . 1 1 20 20 GLY C C 20 172.297 172.297 173.265 -0.968 19007 7802 1 15 . 1 1 20 20 GLY CA C 20 46.310 46.310 46.057 0.253 19007 7803 1 15 . 1 1 20 20 GLY H H 20 7.590 7.590 8.586 -0.996 19007 7804 1 15 . 1 1 21 21 LEU N N 21 123.210 123.210 121.558 1.652 19007 7805 1 15 . 1 1 21 21 LEU HA H 21 5.015 5.015 4.773 0.242 19007 7806 1 15 . 1 1 21 21 LEU C C 21 176.202 176.202 175.144 1.058 19007 7807 1 15 . 1 1 21 21 LEU CA C 21 54.090 54.090 54.732 -0.642 19007 7808 1 15 . 1 1 21 21 LEU CB C 21 45.940 45.940 43.593 2.347 19007 7809 1 15 . 1 1 21 21 LEU H H 21 8.760 8.760 8.222 0.538 19007 7810 1 15 . 1 1 22 22 THR N N 22 120.430 120.430 123.906 -3.476 19007 7811 1 15 . 1 1 22 22 THR HA H 22 5.191 5.191 4.840 0.351 19007 7812 1 15 . 1 1 22 22 THR C C 22 172.852 172.852 173.305 -0.453 19007 7813 1 15 . 1 1 22 22 THR CA C 22 61.850 61.850 62.170 -0.321 19007 7814 1 15 . 1 1 22 22 THR CB C 22 69.800 69.800 68.951 0.849 19007 7815 1 15 . 1 1 22 22 THR H H 22 9.150 9.150 8.504 0.646 19007 7816 1 15 . 1 1 23 23 LEU N N 23 127.110 127.110 123.982 3.128 19007 7817 1 15 . 1 1 23 23 LEU HA H 23 4.910 4.910 5.458 -0.548 19007 7818 1 15 . 1 1 23 23 LEU C C 23 174.200 174.200 174.533 -0.333 19007 7819 1 15 . 1 1 23 23 LEU CA C 23 52.770 52.770 53.220 -0.450 19007 7820 1 15 . 1 1 23 23 LEU CB C 23 44.220 44.220 45.403 -1.183 19007 7821 1 15 . 1 1 23 23 LEU H H 23 8.870 8.870 8.264 0.606 19007 7822 1 15 . 1 1 24 24 HIS N N 24 124.600 124.600 122.351 2.249 19007 7823 1 15 . 1 1 24 24 HIS HA H 24 4.875 4.875 5.423 -0.548 19007 7824 1 15 . 1 1 24 24 HIS C C 24 174.033 174.033 173.103 0.930 19007 7825 1 15 . 1 1 24 24 HIS CA C 24 56.000 56.000 54.835 1.165 19007 7826 1 15 . 1 1 24 24 HIS CB C 24 30.400 30.400 33.351 -2.951 19007 7827 1 15 . 1 1 24 24 HIS H H 24 9.160 9.160 9.321 -0.161 19007 7828 1 15 . 1 1 25 25 LEU N N 25 125.950 125.950 128.212 -2.262 19007 7829 1 15 . 1 1 25 25 LEU HA H 25 4.382 4.382 4.905 -0.523 19007 7830 1 15 . 1 1 25 25 LEU C C 25 175.806 175.806 173.945 1.861 19007 7831 1 15 . 1 1 25 25 LEU CA C 25 53.250 53.250 54.322 -1.072 19007 7832 1 15 . 1 1 25 25 LEU CB C 25 41.030 41.030 45.484 -4.455 19007 7833 1 15 . 1 1 25 25 LEU H H 25 8.420 8.420 8.727 -0.307 19007 7834 1 15 . 1 1 26 26 ASP N N 26 126.170 126.170 126.247 -0.077 19007 7835 1 15 . 1 1 26 26 ASP HA H 26 4.344 4.344 5.119 -0.775 19007 7836 1 15 . 1 1 26 26 ASP C C 26 176.302 176.302 174.619 1.683 19007 7837 1 15 . 1 1 26 26 ASP CA C 26 56.480 56.480 53.217 3.263 19007 7838 1 15 . 1 1 26 26 ASP CB C 26 43.880 43.880 42.693 1.187 19007 7839 1 15 . 1 1 26 26 ASP H H 26 8.630 8.630 8.557 0.073 19007 7840 1 15 . 1 1 27 27 ASP N N 27 122.430 122.430 119.784 2.646 19007 7841 1 15 . 1 1 27 27 ASP HA H 27 4.540 4.540 4.859 -0.319 19007 7842 1 15 . 1 1 27 27 ASP C C 27 176.381 176.381 174.365 2.016 19007 7843 1 15 . 1 1 27 27 ASP CA C 27 54.060 54.060 54.281 -0.221 19007 7844 1 15 . 1 1 27 27 ASP CB C 27 40.820 40.820 42.854 -2.034 19007 7845 1 15 . 1 1 27 27 ASP H H 27 8.150 8.150 8.005 0.145 19007 7846 1 15 . 1 1 28 28 ALA N N 28 123.520 123.520 126.855 -3.335 19007 7847 1 15 . 1 1 28 28 ALA HA H 28 4.600 4.600 5.228 -0.628 19007 7848 1 15 . 1 1 28 28 ALA C C 28 178.324 178.324 177.885 0.439 19007 7849 1 15 . 1 1 28 28 ALA CA C 28 52.860 52.860 50.248 2.612 19007 7850 1 15 . 1 1 28 28 ALA CB C 28 20.790 20.790 20.413 0.377 19007 7851 1 15 . 1 1 28 28 ALA H H 28 8.480 8.480 9.017 -0.537 19007 7852 1 15 . 1 1 29 29 CYS N N 29 115.580 115.580 120.099 -4.519 19007 7853 1 15 . 1 1 29 29 CYS HA H 29 4.680 4.680 4.037 0.643 19007 7854 1 15 . 1 1 29 29 CYS C C 29 174.696 174.696 173.740 0.956 19007 7855 1 15 . 1 1 29 29 CYS CA C 29 56.060 56.060 59.622 -3.562 19007 7856 1 15 . 1 1 29 29 CYS CB C 29 29.050 29.050 25.555 3.495 19007 7857 1 15 . 1 1 29 29 CYS H H 29 7.510 7.510 8.913 -1.403 19007 7858 1 15 . 1 1 30 30 SER N N 30 119.090 119.090 113.536 5.554 19007 7859 1 15 . 1 1 30 30 SER HA H 30 4.500 4.500 4.291 0.209 19007 7860 1 15 . 1 1 30 30 SER CA C 30 58.370 58.370 56.325 2.045 19007 7861 1 15 . 1 1 30 30 SER CB C 30 64.170 64.170 64.996 -0.826 19007 7862 1 15 . 1 1 30 30 SER H H 30 9.170 9.170 7.749 1.421 19007 7863 1 15 . 1 1 31 31 PHE HA H 31 4.041 4.041 4.550 -0.509 19007 7864 1 15 . 1 1 31 31 PHE C C 31 176.440 176.440 176.505 -0.065 19007 7865 1 15 . 1 1 31 31 PHE CA C 31 62.491 62.491 58.162 4.329 19007 7866 1 15 . 1 1 31 31 PHE CB C 31 39.018 39.018 38.503 0.515 19007 7867 1 15 . 1 1 32 32 ASP N N 32 116.020 116.020 123.846 -7.826 19007 7868 1 15 . 1 1 32 32 ASP HA H 32 4.139 4.139 4.567 -0.428 19007 7869 1 15 . 1 1 32 32 ASP C C 32 178.978 178.978 177.120 1.858 19007 7870 1 15 . 1 1 32 32 ASP CA C 32 57.670 57.670 54.873 2.797 19007 7871 1 15 . 1 1 32 32 ASP CB C 32 40.290 40.290 40.065 0.225 19007 7872 1 15 . 1 1 32 32 ASP H H 32 8.370 8.370 8.763 -0.393 19007 7873 1 15 . 1 1 33 33 GLU N N 33 120.170 120.170 120.697 -0.527 19007 7874 1 15 . 1 1 33 33 GLU HA H 33 4.149 4.149 4.072 0.077 19007 7875 1 15 . 1 1 33 33 GLU C C 33 179.256 179.256 178.237 1.019 19007 7876 1 15 . 1 1 33 33 GLU CA C 33 58.810 58.810 59.169 -0.359 19007 7877 1 15 . 1 1 33 33 GLU CB C 33 29.510 29.510 28.993 0.517 19007 7878 1 15 . 1 1 33 33 GLU H H 33 7.560 7.560 8.891 -1.331 19007 7879 1 15 . 1 1 34 34 LEU N N 34 121.930 121.930 118.609 3.321 19007 7880 1 15 . 1 1 34 34 LEU HA H 34 3.755 3.755 4.168 -0.413 19007 7881 1 15 . 1 1 34 34 LEU C C 34 178.205 178.205 179.051 -0.846 19007 7882 1 15 . 1 1 34 34 LEU CA C 34 57.910 57.910 56.404 1.506 19007 7883 1 15 . 1 1 34 34 LEU CB C 34 41.980 41.980 41.689 0.291 19007 7884 1 15 . 1 1 34 34 LEU H H 34 7.730 7.730 7.849 -0.119 19007 7885 1 15 . 1 1 35 35 LEU N N 35 118.190 118.190 120.946 -2.756 19007 7886 1 15 . 1 1 35 35 LEU HA H 35 3.575 3.575 4.255 -0.680 19007 7887 1 15 . 1 1 35 35 LEU C C 35 179.295 179.295 177.898 1.397 19007 7888 1 15 . 1 1 35 35 LEU CA C 35 57.990 57.990 57.518 0.472 19007 7889 1 15 . 1 1 35 35 LEU CB C 35 40.900 40.900 42.705 -1.805 19007 7890 1 15 . 1 1 35 35 LEU H H 35 7.880 7.880 7.847 0.033 19007 7891 1 15 . 1 1 36 36 ASP N N 36 118.760 118.760 119.601 -0.841 19007 7892 1 15 . 1 1 36 36 ASP HA H 36 4.308 4.308 4.316 -0.008 19007 7893 1 15 . 1 1 36 36 ASP C C 36 178.819 178.819 178.624 0.195 19007 7894 1 15 . 1 1 36 36 ASP CA C 36 57.570 57.570 58.089 -0.519 19007 7895 1 15 . 1 1 36 36 ASP CB C 36 41.500 41.500 40.650 0.850 19007 7896 1 15 . 1 1 36 36 ASP H H 36 7.580 7.580 8.658 -1.078 19007 7897 1 15 . 1 1 37 37 GLY N N 37 107.520 107.520 107.659 -0.139 19007 7898 1 15 . 1 1 37 37 GLY C C 37 176.678 176.678 176.241 0.437 19007 7899 1 15 . 1 1 37 37 GLY CA C 37 47.340 47.340 47.504 -0.164 19007 7900 1 15 . 1 1 37 37 GLY H H 37 8.210 8.210 8.400 -0.190 19007 7901 1 15 . 1 1 38 38 LEU N N 38 123.680 123.680 122.213 1.467 19007 7902 1 15 . 1 1 38 38 LEU HA H 38 4.007 4.007 4.056 -0.049 19007 7903 1 15 . 1 1 38 38 LEU C C 38 177.769 177.769 178.624 -0.855 19007 7904 1 15 . 1 1 38 38 LEU CA C 38 57.970 57.970 57.726 0.244 19007 7905 1 15 . 1 1 38 38 LEU CB C 38 42.250 42.250 41.810 0.440 19007 7906 1 15 . 1 1 38 38 LEU H H 38 8.800 8.800 7.669 1.131 19007 7907 1 15 . 1 1 39 39 GLN N N 39 118.840 118.840 119.924 -1.084 19007 7908 1 15 . 1 1 39 39 GLN HA H 39 3.887 3.887 3.844 0.043 19007 7909 1 15 . 1 1 39 39 GLN C C 39 178.443 178.443 178.289 0.154 19007 7910 1 15 . 1 1 39 39 GLN CA C 39 59.450 59.450 59.427 0.023 19007 7911 1 15 . 1 1 39 39 GLN CB C 39 28.400 28.400 28.405 -0.005 19007 7912 1 15 . 1 1 39 39 GLN H H 39 8.460 8.460 8.445 0.015 19007 7913 1 15 . 1 1 40 40 ASN N N 40 116.110 116.110 118.266 -2.156 19007 7914 1 15 . 1 1 40 40 ASN HA H 40 4.488 4.488 4.406 0.082 19007 7915 1 15 . 1 1 40 40 ASN C C 40 177.491 177.491 177.741 -0.250 19007 7916 1 15 . 1 1 40 40 ASN CA C 40 56.330 56.330 56.014 0.316 19007 7917 1 15 . 1 1 40 40 ASN CB C 40 39.230 39.230 38.709 0.521 19007 7918 1 15 . 1 1 40 40 ASN H H 40 7.810 7.810 8.310 -0.500 19007 7919 1 15 . 1 1 41 41 MET N N 41 119.840 119.840 120.452 -0.612 19007 7920 1 15 . 1 1 41 41 MET HA H 41 4.344 4.344 4.165 0.179 19007 7921 1 15 . 1 1 41 41 MET C C 41 177.551 177.551 178.088 -0.537 19007 7922 1 15 . 1 1 41 41 MET CA C 41 58.140 58.140 57.862 0.278 19007 7923 1 15 . 1 1 41 41 MET CB C 41 32.600 32.600 32.502 0.097 19007 7924 1 15 . 1 1 41 41 MET H H 41 8.060 8.060 7.930 0.130 19007 7925 1 15 . 1 1 42 42 LEU N N 42 116.680 116.680 118.062 -1.382 19007 7926 1 15 . 1 1 42 42 LEU HA H 42 4.236 4.236 4.019 0.217 19007 7927 1 15 . 1 1 42 42 LEU C C 42 177.055 177.055 179.376 -2.321 19007 7928 1 15 . 1 1 42 42 LEU CA C 42 55.850 55.850 57.698 -1.848 19007 7929 1 15 . 1 1 42 42 LEU CB C 42 41.490 41.490 40.897 0.593 19007 7930 1 15 . 1 1 42 42 LEU H H 42 8.280 8.280 8.749 -0.469 19007 7931 1 15 . 1 1 43 43 SER N N 43 113.420 113.420 113.923 -0.503 19007 7932 1 15 . 1 1 43 43 SER HA H 43 4.452 4.452 4.269 0.183 19007 7933 1 15 . 1 1 43 43 SER C C 43 174.755 174.755 175.029 -0.274 19007 7934 1 15 . 1 1 43 43 SER CA C 43 59.340 59.340 60.847 -1.507 19007 7935 1 15 . 1 1 43 43 SER CB C 43 63.580 63.580 62.806 0.775 19007 7936 1 15 . 1 1 43 43 SER H H 43 7.650 7.650 7.778 -0.128 19007 7937 1 15 . 1 1 44 44 ILE N N 44 120.390 120.390 119.232 1.158 19007 7938 1 15 . 1 1 44 44 ILE HA H 44 4.188 4.188 4.112 0.076 19007 7939 1 15 . 1 1 44 44 ILE C C 44 176.440 176.440 176.856 -0.416 19007 7940 1 15 . 1 1 44 44 ILE CA C 44 61.500 61.500 62.082 -0.582 19007 7941 1 15 . 1 1 44 44 ILE CB C 44 38.640 38.640 39.179 -0.540 19007 7942 1 15 . 1 1 44 44 ILE H H 44 7.590 7.590 7.549 0.041 19007 7943 1 15 . 1 1 45 45 GLU N N 45 118.850 118.850 120.065 -1.215 19007 7944 1 15 . 1 1 45 45 GLU HA H 45 4.272 4.272 4.123 0.149 19007 7945 1 15 . 1 1 45 45 GLU C C 45 176.698 176.698 176.831 -0.133 19007 7946 1 15 . 1 1 45 45 GLU CA C 45 61.950 61.950 58.980 2.970 19007 7947 1 15 . 1 1 45 45 GLU CB C 45 29.840 29.840 30.969 -1.129 19007 7948 1 15 . 1 1 45 45 GLU H H 45 8.200 8.200 8.218 -0.018 19007 7949 1 15 . 1 1 46 46 GLN N N 46 118.260 118.260 117.671 0.589 19007 7950 1 15 . 1 1 46 46 GLN HA H 46 4.212 4.212 4.532 -0.320 19007 7951 1 15 . 1 1 46 46 GLN C C 46 176.361 176.361 174.212 2.149 19007 7952 1 15 . 1 1 46 46 GLN CA C 46 56.770 56.770 55.416 1.354 19007 7953 1 15 . 1 1 46 46 GLN CB C 46 28.920 28.920 29.413 -0.493 19007 7954 1 15 . 1 1 46 46 GLN H H 46 8.270 8.270 7.950 0.320 19007 7955 1 15 . 1 1 47 47 TYR N N 47 117.690 117.690 119.729 -2.039 19007 7956 1 15 . 1 1 47 47 TYR HA H 47 4.701 4.701 4.913 -0.212 19007 7957 1 15 . 1 1 47 47 TYR C C 47 175.588 175.588 174.387 1.201 19007 7958 1 15 . 1 1 47 47 TYR CA C 47 58.290 58.290 56.291 2.000 19007 7959 1 15 . 1 1 47 47 TYR CB C 47 39.250 39.250 38.983 0.266 19007 7960 1 15 . 1 1 47 47 TYR H H 47 7.980 7.980 8.104 -0.124 19007 7961 1 15 . 1 1 48 48 THR N N 48 108.930 108.930 119.039 -10.109 19007 7962 1 15 . 1 1 48 48 THR HA H 48 4.464 4.464 4.481 -0.017 19007 7963 1 15 . 1 1 48 48 THR C C 48 176.381 176.381 174.115 2.266 19007 7964 1 15 . 1 1 48 48 THR CA C 48 61.150 61.150 61.393 -0.243 19007 7965 1 15 . 1 1 48 48 THR CB C 48 70.190 70.190 69.937 0.253 19007 7966 1 15 . 1 1 48 48 THR H H 48 7.570 7.570 8.281 -0.711 19007 7967 1 15 . 1 1 49 49 ASP N N 49 121.350 121.350 125.039 -3.689 19007 7968 1 15 . 1 1 49 49 ASP HA H 49 4.752 4.752 4.610 0.142 19007 7969 1 15 . 1 1 49 49 ASP C C 49 177.015 177.015 176.377 0.638 19007 7970 1 15 . 1 1 49 49 ASP CA C 49 53.710 53.710 54.644 -0.934 19007 7971 1 15 . 1 1 49 49 ASP CB C 49 41.200 41.200 41.337 -0.137 19007 7972 1 15 . 1 1 49 49 ASP H H 49 8.100 8.100 8.527 -0.427 19007 7973 1 15 . 1 1 50 50 GLY N N 50 112.360 112.360 107.920 4.440 19007 7974 1 15 . 1 1 50 50 GLY C C 50 175.449 175.449 174.007 1.442 19007 7975 1 15 . 1 1 50 50 GLY CA C 50 46.000 46.000 45.037 0.963 19007 7976 1 15 . 1 1 50 50 GLY H H 50 9.080 9.080 7.677 1.403 19007 7977 1 15 . 1 1 51 51 LYS N N 51 119.510 119.510 117.835 1.675 19007 7978 1 15 . 1 1 51 51 LYS HA H 51 4.200 4.200 4.055 0.145 19007 7979 1 15 . 1 1 51 51 LYS C C 51 177.214 177.214 175.960 1.254 19007 7980 1 15 . 1 1 51 51 LYS CA C 51 56.540 56.540 56.744 -0.204 19007 7981 1 15 . 1 1 51 51 LYS CB C 51 31.420 31.420 30.548 0.872 19007 7982 1 15 . 1 1 51 51 LYS H H 51 8.590 8.590 8.317 0.273 19007 7983 1 15 . 1 1 52 52 GLY N N 52 108.180 108.180 105.496 2.684 19007 7984 1 15 . 1 1 52 52 GLY C C 52 174.279 174.279 173.151 1.128 19007 7985 1 15 . 1 1 52 52 GLY CA C 52 45.450 45.450 45.726 -0.276 19007 7986 1 15 . 1 1 52 52 GLY H H 52 8.670 8.670 7.971 0.699 19007 7987 1 15 . 1 1 53 53 GLN N N 53 120.010 120.010 118.276 1.734 19007 7988 1 15 . 1 1 53 53 GLN HA H 53 4.440 4.440 4.321 0.119 19007 7989 1 15 . 1 1 53 53 GLN C C 53 175.001 175.001 174.823 0.178 19007 7990 1 15 . 1 1 53 53 GLN CA C 53 54.580 54.580 55.145 -0.565 19007 7991 1 15 . 1 1 53 53 GLN CB C 53 30.330 30.330 28.852 1.478 19007 7992 1 15 . 1 1 53 53 GLN H H 53 7.860 7.860 7.893 -0.033 19007 7993 1 15 . 1 1 54 54 LYS N N 54 120.420 120.420 127.655 -7.235 19007 7994 1 15 . 1 1 54 54 LYS HA H 54 4.704 4.704 4.922 -0.218 19007 7995 1 15 . 1 1 54 54 LYS C C 54 176.753 176.753 175.815 0.938 19007 7996 1 15 . 1 1 54 54 LYS CA C 54 55.830 55.830 55.539 0.291 19007 7997 1 15 . 1 1 54 54 LYS CB C 54 33.850 33.850 33.632 0.218 19007 7998 1 15 . 1 1 54 54 LYS H H 54 8.250 8.250 8.690 -0.440 19007 7999 1 15 . 1 1 55 55 ILE N N 55 125.360 125.360 130.229 -4.869 19007 8000 1 15 . 1 1 55 55 ILE HA H 55 4.169 4.169 4.592 -0.423 19007 8001 1 15 . 1 1 55 55 ILE C C 55 174.405 174.405 174.668 -0.263 19007 8002 1 15 . 1 1 55 55 ILE CA C 55 60.350 60.350 59.944 0.406 19007 8003 1 15 . 1 1 55 55 ILE CB C 55 39.690 39.690 37.738 1.952 19007 8004 1 15 . 1 1 55 55 ILE H H 55 9.050 9.050 9.231 -0.181 19007 8005 1 15 . 1 1 56 56 SER N N 56 121.850 121.850 121.878 -0.028 19007 8006 1 15 . 1 1 56 56 SER HA H 56 4.480 4.480 4.898 -0.418 19007 8007 1 15 . 1 1 56 56 SER C C 56 174.105 174.105 174.120 -0.015 19007 8008 1 15 . 1 1 56 56 SER CA C 56 57.410 57.410 56.198 1.212 19007 8009 1 15 . 1 1 56 56 SER CB C 56 64.080 64.080 63.220 0.860 19007 8010 1 15 . 1 1 56 56 SER H H 56 8.330 8.330 8.192 0.138 19007 8011 1 15 . 1 1 57 57 VAL N N 57 123.190 123.190 126.978 -3.788 19007 8012 1 15 . 1 1 57 57 VAL HA H 57 4.861 4.861 4.032 0.829 19007 8013 1 15 . 1 1 57 57 VAL C C 57 174.869 174.869 174.776 0.093 19007 8014 1 15 . 1 1 57 57 VAL CA C 57 61.130 61.130 61.572 -0.442 19007 8015 1 15 . 1 1 57 57 VAL CB C 57 33.600 33.600 30.204 3.396 19007 8016 1 15 . 1 1 57 57 VAL H H 57 8.680 8.680 8.158 0.522 19007 8017 1 15 . 1 1 58 58 HIS N N 58 129.590 129.590 126.821 2.769 19007 8018 1 15 . 1 1 58 58 HIS HA H 58 5.076 5.076 4.752 0.324 19007 8019 1 15 . 1 1 58 58 HIS C C 58 174.351 174.351 174.553 -0.202 19007 8020 1 15 . 1 1 58 58 HIS CA C 58 54.420 54.420 54.033 0.387 19007 8021 1 15 . 1 1 58 58 HIS CB C 58 31.720 31.720 28.757 2.963 19007 8022 1 15 . 1 1 58 58 HIS H H 58 9.050 9.050 8.368 0.682 19007 8023 1 15 . 1 1 59 59 VAL N N 59 125.260 125.260 119.556 5.704 19007 8024 1 15 . 1 1 59 59 VAL HA H 59 4.408 4.408 4.293 0.115 19007 8025 1 15 . 1 1 59 59 VAL C C 59 174.460 174.460 175.121 -0.661 19007 8026 1 15 . 1 1 59 59 VAL CA C 59 62.370 62.370 61.508 0.862 19007 8027 1 15 . 1 1 59 59 VAL CB C 59 32.760 32.760 30.675 2.085 19007 8028 1 15 . 1 1 59 59 VAL H H 59 8.800 8.800 7.836 0.964 19007 8029 1 15 . 1 1 60 60 LYS N N 60 128.520 128.520 127.406 1.114 19007 8030 1 15 . 1 1 60 60 LYS HA H 60 4.909 4.909 4.544 0.365 19007 8031 1 15 . 1 1 60 60 LYS C C 60 175.825 175.825 176.151 -0.326 19007 8032 1 15 . 1 1 60 60 LYS CA C 60 54.450 54.450 53.981 0.469 19007 8033 1 15 . 1 1 60 60 LYS CB C 60 32.490 32.490 30.347 2.143 19007 8034 1 15 . 1 1 60 60 LYS H H 60 9.040 9.040 8.708 0.332 19007 8035 1 15 . 1 1 61 61 LEU N N 61 121.430 121.430 121.215 0.215 19007 8036 1 15 . 1 1 61 61 LEU HA H 61 4.527 4.527 4.523 0.004 19007 8037 1 15 . 1 1 61 61 LEU C C 61 178.910 178.910 178.086 0.824 19007 8038 1 15 . 1 1 61 61 LEU CA C 61 54.410 54.410 55.509 -1.099 19007 8039 1 15 . 1 1 61 61 LEU CB C 61 44.330 44.330 42.481 1.849 19007 8040 1 15 . 1 1 61 61 LEU H H 61 8.700 8.700 7.415 1.285 19007 8041 1 15 . 1 1 62 62 GLY N N 62 110.520 110.520 106.966 3.554 19007 8042 1 15 . 1 1 62 62 GLY C C 62 175.350 175.350 175.007 0.343 19007 8043 1 15 . 1 1 62 62 GLY CA C 62 46.710 46.710 46.176 0.534 19007 8044 1 15 . 1 1 62 62 GLY H H 62 9.060 9.060 8.122 0.938 19007 8045 1 15 . 1 1 63 63 ASN N N 63 127.090 127.090 120.100 6.990 19007 8046 1 15 . 1 1 63 63 ASN HA H 63 4.778 4.778 4.676 0.102 19007 8047 1 15 . 1 1 63 63 ASN C C 63 174.214 174.214 175.417 -1.203 19007 8048 1 15 . 1 1 63 63 ASN CA C 63 52.910 52.910 53.015 -0.105 19007 8049 1 15 . 1 1 63 63 ASN CB C 63 38.100 38.100 36.893 1.207 19007 8050 1 15 . 1 1 63 63 ASN H H 63 10.390 10.390 8.600 1.790 19007 8051 1 15 . 1 1 64 64 ARG N N 64 121.850 121.850 121.329 0.521 19007 8052 1 15 . 1 1 64 64 ARG HA H 64 4.265 4.265 4.110 0.155 19007 8053 1 15 . 1 1 64 64 ARG C C 64 174.214 174.214 176.198 -1.984 19007 8054 1 15 . 1 1 64 64 ARG CA C 64 56.330 56.330 57.348 -1.018 19007 8055 1 15 . 1 1 64 64 ARG CB C 64 33.860 33.860 30.081 3.780 19007 8056 1 15 . 1 1 64 64 ARG H H 64 7.520 7.520 7.285 0.235 19007 8057 1 15 . 1 1 65 65 PHE N N 65 127.760 127.760 118.132 9.628 19007 8058 1 15 . 1 1 65 65 PHE HA H 65 4.503 4.503 4.170 0.333 19007 8059 1 15 . 1 1 65 65 PHE C C 65 176.508 176.508 174.057 2.451 19007 8060 1 15 . 1 1 65 65 PHE CA C 65 56.760 56.760 58.288 -1.528 19007 8061 1 15 . 1 1 65 65 PHE CB C 65 40.430 40.430 38.111 2.319 19007 8062 1 15 . 1 1 65 65 PHE H H 65 8.580 8.580 7.983 0.597 19007 8063 1 15 . 1 1 66 66 LEU N N 66 125.260 125.260 125.394 -0.134 19007 8064 1 15 . 1 1 66 66 LEU HA H 66 4.288 4.288 4.532 -0.244 19007 8065 1 15 . 1 1 66 66 LEU C C 66 176.508 176.508 175.608 0.900 19007 8066 1 15 . 1 1 66 66 LEU CA C 66 53.080 53.080 52.740 0.340 19007 8067 1 15 . 1 1 66 66 LEU CB C 66 43.170 43.170 45.171 -2.001 19007 8068 1 15 . 1 1 66 66 LEU H H 66 8.040 8.040 7.658 0.382 19007 8069 1 15 . 1 1 67 67 TYR N N 67 120.480 120.480 122.936 -2.456 19007 8070 1 15 . 1 1 67 67 TYR HA H 67 4.515 4.515 4.348 0.167 19007 8071 1 15 . 1 1 67 67 TYR C C 67 177.791 177.791 176.327 1.464 19007 8072 1 15 . 1 1 67 67 TYR CA C 67 58.120 58.120 58.210 -0.090 19007 8073 1 15 . 1 1 67 67 TYR CB C 67 39.320 39.320 36.730 2.590 19007 8074 1 15 . 1 1 67 67 TYR H H 67 7.880 7.880 8.702 -0.822 19007 8075 1 15 . 1 1 68 68 LYS N N 68 125.020 125.020 124.080 0.940 19007 8076 1 15 . 1 1 68 68 LYS HA H 68 4.034 4.034 3.802 0.232 19007 8077 1 15 . 1 1 68 68 LYS C C 68 178.364 178.364 177.874 0.490 19007 8078 1 15 . 1 1 68 68 LYS CA C 68 60.130 60.130 60.148 -0.018 19007 8079 1 15 . 1 1 68 68 LYS CB C 68 32.150 32.150 32.370 -0.220 19007 8080 1 15 . 1 1 68 68 LYS H H 68 9.120 9.120 7.948 1.172 19007 8081 1 15 . 1 1 69 69 GLU N N 69 116.430 116.430 118.171 -1.741 19007 8082 1 15 . 1 1 69 69 GLU HA H 69 4.133 4.133 3.987 0.146 19007 8083 1 15 . 1 1 69 69 GLU C C 69 179.538 179.538 179.361 0.177 19007 8084 1 15 . 1 1 69 69 GLU CA C 69 60.030 60.030 59.829 0.201 19007 8085 1 15 . 1 1 69 69 GLU CB C 69 28.560 28.560 28.878 -0.318 19007 8086 1 15 . 1 1 69 69 GLU H H 69 9.460 9.460 8.739 0.721 19007 8087 1 15 . 1 1 70 70 GLN N N 70 117.670 117.670 118.333 -0.663 19007 8088 1 15 . 1 1 70 70 GLN HA H 70 4.120 4.120 4.249 -0.129 19007 8089 1 15 . 1 1 70 70 GLN C C 70 177.955 177.955 178.738 -0.783 19007 8090 1 15 . 1 1 70 70 GLN CA C 70 57.950 57.950 58.770 -0.820 19007 8091 1 15 . 1 1 70 70 GLN CB C 70 29.290 29.290 28.668 0.622 19007 8092 1 15 . 1 1 70 70 GLN H H 70 7.000 7.000 7.783 -0.783 19007 8093 1 15 . 1 1 71 71 GLU N N 71 120.850 120.850 118.636 2.214 19007 8094 1 15 . 1 1 71 71 GLU HA H 71 3.668 3.668 4.158 -0.490 19007 8095 1 15 . 1 1 71 71 GLU C C 71 179.429 179.429 178.596 0.833 19007 8096 1 15 . 1 1 71 71 GLU CA C 71 60.620 60.620 58.134 2.486 19007 8097 1 15 . 1 1 71 71 GLU CB C 71 29.660 29.660 29.038 0.622 19007 8098 1 15 . 1 1 71 71 GLU H H 71 8.080 8.080 7.770 0.310 19007 8099 1 15 . 1 1 72 72 GLU N N 72 119.670 119.670 120.816 -1.146 19007 8100 1 15 . 1 1 72 72 GLU HA H 72 4.038 4.038 4.039 -0.001 19007 8101 1 15 . 1 1 72 72 GLU C C 72 178.446 178.446 178.737 -0.291 19007 8102 1 15 . 1 1 72 72 GLU CA C 72 59.690 59.690 59.411 0.279 19007 8103 1 15 . 1 1 72 72 GLU CB C 72 29.350 29.350 29.865 -0.515 19007 8104 1 15 . 1 1 72 72 GLU H H 72 8.390 8.390 8.435 -0.045 19007 8105 1 15 . 1 1 73 73 GLN N N 73 119.030 119.030 117.499 1.531 19007 8106 1 15 . 1 1 73 73 GLN HA H 73 4.110 4.110 4.286 -0.176 19007 8107 1 15 . 1 1 73 73 GLN C C 73 179.320 179.320 178.397 0.923 19007 8108 1 15 . 1 1 73 73 GLN CA C 73 59.470 59.470 58.407 1.063 19007 8109 1 15 . 1 1 73 73 GLN CB C 73 29.480 29.480 28.453 1.027 19007 8110 1 15 . 1 1 73 73 GLN H H 73 7.730 7.730 8.331 -0.601 19007 8111 1 15 . 1 1 74 74 LEU N N 74 119.760 119.760 115.496 4.264 19007 8112 1 15 . 1 1 74 74 LEU HA H 74 3.918 3.918 4.331 -0.413 19007 8113 1 15 . 1 1 74 74 LEU C C 74 177.818 177.818 178.999 -1.181 19007 8114 1 15 . 1 1 74 74 LEU CA C 74 58.720 58.720 57.425 1.295 19007 8115 1 15 . 1 1 74 74 LEU CB C 74 42.890 42.890 41.572 1.318 19007 8116 1 15 . 1 1 74 74 LEU H H 74 8.290 8.290 7.433 0.857 19007 8117 1 15 . 1 1 75 75 THR N N 75 113.520 113.520 117.241 -3.721 19007 8118 1 15 . 1 1 75 75 THR HA H 75 3.680 3.680 3.997 -0.317 19007 8119 1 15 . 1 1 75 75 THR C C 75 176.480 176.480 176.098 0.382 19007 8120 1 15 . 1 1 75 75 THR CA C 75 66.990 66.990 67.220 -0.230 19007 8121 1 15 . 1 1 75 75 THR CB C 75 68.640 68.640 68.408 0.232 19007 8122 1 15 . 1 1 75 75 THR H H 75 8.450 8.450 7.443 1.007 19007 8123 1 15 . 1 1 76 76 GLU N N 76 121.340 121.340 121.638 -0.298 19007 8124 1 15 . 1 1 76 76 GLU HA H 76 4.014 4.014 3.971 0.043 19007 8125 1 15 . 1 1 76 76 GLU C C 76 178.965 178.965 178.581 0.384 19007 8126 1 15 . 1 1 76 76 GLU CA C 76 59.190 59.190 59.329 -0.139 19007 8127 1 15 . 1 1 76 76 GLU CB C 76 29.590 29.590 29.256 0.334 19007 8128 1 15 . 1 1 76 76 GLU H H 76 8.330 8.330 8.171 0.159 19007 8129 1 15 . 1 1 77 77 LEU N N 77 120.170 120.170 119.546 0.624 19007 8130 1 15 . 1 1 77 77 LEU HA H 77 3.955 3.955 4.079 -0.124 19007 8131 1 15 . 1 1 77 77 LEU C C 77 180.057 180.057 178.716 1.341 19007 8132 1 15 . 1 1 77 77 LEU CA C 77 58.510 58.510 58.130 0.380 19007 8133 1 15 . 1 1 77 77 LEU CB C 77 42.716 42.716 41.861 0.855 19007 8134 1 15 . 1 1 77 77 LEU H H 77 7.560 7.560 7.497 0.063 19007 8135 1 15 . 1 1 78 78 ILE N N 78 119.930 119.930 117.555 2.375 19007 8136 1 15 . 1 1 78 78 ILE HA H 78 3.429 3.429 3.872 -0.443 19007 8137 1 15 . 1 1 78 78 ILE C C 78 176.043 176.043 177.646 -1.603 19007 8138 1 15 . 1 1 78 78 ILE CA C 78 65.740 65.740 63.025 2.715 19007 8139 1 15 . 1 1 78 78 ILE CB C 78 37.960 37.960 38.073 -0.113 19007 8140 1 15 . 1 1 78 78 ILE H H 78 7.740 7.740 7.525 0.215 19007 8141 1 15 . 1 1 79 79 ALA N N 79 116.940 116.940 123.795 -6.855 19007 8142 1 15 . 1 1 79 79 ALA HA H 79 4.229 4.229 4.047 0.182 19007 8143 1 15 . 1 1 79 79 ALA C C 79 178.719 178.719 179.650 -0.931 19007 8144 1 15 . 1 1 79 79 ALA CA C 79 53.390 53.390 55.215 -1.825 19007 8145 1 15 . 1 1 79 79 ALA CB C 79 18.500 18.500 17.908 0.592 19007 8146 1 15 . 1 1 79 79 ALA H H 79 8.210 8.210 8.529 -0.319 19007 8147 1 15 . 1 1 80 80 SER N N 80 113.260 113.260 114.169 -0.909 19007 8148 1 15 . 1 1 80 80 SER HA H 80 4.253 4.253 4.279 -0.026 19007 8149 1 15 . 1 1 80 80 SER C C 80 174.869 174.869 174.964 -0.095 19007 8150 1 15 . 1 1 80 80 SER CA C 80 60.550 60.550 60.722 -0.172 19007 8151 1 15 . 1 1 80 80 SER CB C 80 63.130 63.130 63.337 -0.207 19007 8152 1 15 . 1 1 80 80 SER H H 80 7.600 7.600 8.172 -0.572 19007 8153 1 15 . 1 1 81 81 LYS N N 81 123.510 123.510 117.405 6.105 19007 8154 1 15 . 1 1 81 81 LYS HA H 81 4.527 4.527 4.653 -0.126 19007 8155 1 15 . 1 1 81 81 LYS C C 81 176.289 176.289 175.491 0.798 19007 8156 1 15 . 1 1 81 81 LYS CA C 81 54.000 54.000 54.976 -0.976 19007 8157 1 15 . 1 1 81 81 LYS CB C 81 30.440 30.440 32.093 -1.653 19007 8158 1 15 . 1 1 81 81 LYS H H 81 7.690 7.690 7.674 0.016 19007 8159 1 15 . 1 1 82 82 LYS N N 82 120.760 120.760 121.269 -0.509 19007 8160 1 15 . 1 1 82 82 LYS HA H 82 4.539 4.539 4.200 0.339 19007 8161 1 15 . 1 1 82 82 LYS C C 82 176.835 176.835 175.745 1.090 19007 8162 1 15 . 1 1 82 82 LYS CA C 82 59.090 59.090 56.843 2.247 19007 8163 1 15 . 1 1 82 82 LYS CB C 82 32.330 32.330 30.275 2.055 19007 8164 1 15 . 1 1 82 82 LYS H H 82 8.190 8.190 7.667 0.523 19007 8165 1 15 . 1 1 83 83 ASP N N 83 117.280 117.280 120.529 -3.249 19007 8166 1 15 . 1 1 83 83 ASP HA H 83 4.659 4.659 4.493 0.166 19007 8167 1 15 . 1 1 83 83 ASP C C 83 174.460 174.460 175.945 -1.485 19007 8168 1 15 . 1 1 83 83 ASP CA C 83 55.390 55.390 55.398 -0.008 19007 8169 1 15 . 1 1 83 83 ASP CB C 83 40.680 40.680 41.325 -0.645 19007 8170 1 15 . 1 1 83 83 ASP H H 83 8.670 8.670 8.433 0.237 19007 8171 1 15 . 1 1 84 84 LEU N N 84 117.780 117.780 118.661 -0.881 19007 8172 1 15 . 1 1 84 84 LEU HA H 84 5.100 5.100 4.235 0.865 19007 8173 1 15 . 1 1 84 84 LEU C C 84 176.753 176.753 176.797 -0.044 19007 8174 1 15 . 1 1 84 84 LEU CA C 84 54.560 54.560 53.667 0.893 19007 8175 1 15 . 1 1 84 84 LEU CB C 84 43.690 43.690 42.665 1.025 19007 8176 1 15 . 1 1 84 84 LEU H H 84 7.640 7.640 7.341 0.299 19007 8177 1 15 . 1 1 85 85 PHE N N 85 117.610 117.610 120.491 -2.881 19007 8178 1 15 . 1 1 85 85 PHE HA H 85 4.754 4.754 4.425 0.329 19007 8179 1 15 . 1 1 85 85 PHE C C 85 173.204 173.204 174.501 -1.297 19007 8180 1 15 . 1 1 85 85 PHE CA C 85 56.400 56.400 57.780 -1.380 19007 8181 1 15 . 1 1 85 85 PHE CB C 85 42.000 42.000 37.169 4.830 19007 8182 1 15 . 1 1 85 85 PHE H H 85 8.280 8.280 8.350 -0.070 19007 8183 1 15 . 1 1 86 86 VAL N N 86 123.600 123.600 121.602 1.998 19007 8184 1 15 . 1 1 86 86 VAL HA H 86 3.882 3.882 4.622 -0.740 19007 8185 1 15 . 1 1 86 86 VAL C C 86 174.651 174.651 174.814 -0.163 19007 8186 1 15 . 1 1 86 86 VAL CA C 86 63.640 63.640 60.504 3.136 19007 8187 1 15 . 1 1 86 86 VAL CB C 86 31.440 31.440 33.311 -1.871 19007 8188 1 15 . 1 1 86 86 VAL H H 86 8.880 8.880 7.716 1.164 19007 8189 1 15 . 1 1 87 87 HIS N N 87 130.690 130.690 127.590 3.100 19007 8190 1 15 . 1 1 87 87 HIS HA H 87 4.420 4.420 4.887 -0.467 19007 8191 1 15 . 1 1 87 87 HIS C C 87 175.497 175.497 173.994 1.503 19007 8192 1 15 . 1 1 87 87 HIS CA C 87 58.090 58.090 54.977 3.113 19007 8193 1 15 . 1 1 87 87 HIS CB C 87 32.870 32.870 32.051 0.819 19007 8194 1 15 . 1 1 87 87 HIS H H 87 9.320 9.320 9.060 0.260 19007 8195 1 15 . 1 1 88 88 SER N N 88 109.280 109.280 121.350 -12.070 19007 8196 1 15 . 1 1 88 88 SER HA H 88 4.503 4.503 5.024 -0.521 19007 8197 1 15 . 1 1 88 88 SER C C 88 172.248 172.248 173.276 -1.028 19007 8198 1 15 . 1 1 88 88 SER CA C 88 57.560 57.560 57.972 -0.412 19007 8199 1 15 . 1 1 88 88 SER CB C 88 64.890 64.890 64.371 0.519 19007 8200 1 15 . 1 1 88 88 SER H H 88 7.370 7.370 8.733 -1.363 19007 8201 1 15 . 1 1 89 89 ILE N N 89 122.260 122.260 126.114 -3.854 19007 8202 1 15 . 1 1 89 89 ILE HA H 89 4.265 4.265 4.536 -0.271 19007 8203 1 15 . 1 1 89 89 ILE C C 89 174.569 174.569 173.175 1.394 19007 8204 1 15 . 1 1 89 89 ILE CA C 89 61.110 61.110 60.354 0.756 19007 8205 1 15 . 1 1 89 89 ILE CB C 89 39.960 39.960 40.927 -0.967 19007 8206 1 15 . 1 1 89 89 ILE H H 89 8.400 8.400 9.099 -0.699 19007 8207 1 15 . 1 1 90 90 ASP N N 90 126.690 126.690 127.037 -0.347 19007 8208 1 15 . 1 1 90 90 ASP HA H 90 5.064 5.064 5.588 -0.524 19007 8209 1 15 . 1 1 90 90 ASP C C 90 174.469 174.469 176.524 -2.055 19007 8210 1 15 . 1 1 90 90 ASP CA C 90 53.600 53.600 51.901 1.699 19007 8211 1 15 . 1 1 90 90 ASP CB C 90 44.230 44.230 42.783 1.447 19007 8212 1 15 . 1 1 90 90 ASP H H 90 8.800 8.800 8.502 0.298 19007 8213 1 15 . 1 1 91 91 SER N N 91 116.760 116.760 114.475 2.285 19007 8214 1 15 . 1 1 91 91 SER HA H 91 4.781 4.781 4.642 0.139 19007 8215 1 15 . 1 1 91 91 SER C C 91 173.164 173.164 173.622 -0.458 19007 8216 1 15 . 1 1 91 91 SER CA C 91 57.430 57.430 57.599 -0.169 19007 8217 1 15 . 1 1 91 91 SER CB C 91 65.250 65.250 62.605 2.645 19007 8218 1 15 . 1 1 91 91 SER H H 91 8.500 8.500 8.493 0.007 19007 8219 1 15 . 1 1 92 92 GLU N N 92 123.420 123.420 121.129 2.291 19007 8220 1 15 . 1 1 92 92 GLU HA H 92 4.355 4.355 4.148 0.207 19007 8221 1 15 . 1 1 92 92 GLU C C 92 176.419 176.419 175.664 0.755 19007 8222 1 15 . 1 1 92 92 GLU CA C 92 56.250 56.250 56.669 -0.419 19007 8223 1 15 . 1 1 92 92 GLU CB C 92 30.730 30.730 30.089 0.641 19007 8224 1 15 . 1 1 92 92 GLU H H 92 8.620 8.620 7.732 0.888 19007 8225 1 15 . 1 1 93 93 VAL N N 93 122.090 122.090 122.731 -0.641 19007 8226 1 15 . 1 1 93 93 VAL HA H 93 4.105 4.105 4.292 -0.187 19007 8227 1 15 . 1 1 93 93 VAL CA C 93 62.240 62.240 61.377 0.863 19007 8228 1 15 . 1 1 93 93 VAL CB C 93 32.860 32.860 33.810 -0.950 19007 8229 1 15 . 1 1 93 93 VAL H H 93 8.220 8.220 8.240 -0.020 19007 8230 1 15 . 1 1 96 96 LYS HA H 96 4.079 4.079 4.543 -0.464 19007 8231 1 15 . 1 1 96 96 LYS C C 96 176.053 176.053 175.397 0.656 19007 8232 1 15 . 1 1 96 96 LYS CA C 96 62.497 62.497 55.336 7.161 19007 8233 1 15 . 1 1 96 96 LYS CB C 96 32.776 32.776 34.748 -1.972 19007 8234 1 15 . 1 1 97 97 LYS N N 97 126.170 126.170 122.569 3.601 19007 8235 1 15 . 1 1 97 97 LYS HA H 97 4.300 4.300 4.431 -0.131 19007 8236 1 15 . 1 1 97 97 LYS C C 97 176.665 176.665 176.204 0.461 19007 8237 1 15 . 1 1 97 97 LYS CA C 97 56.730 56.730 55.606 1.124 19007 8238 1 15 . 1 1 97 97 LYS CB C 97 33.020 33.020 33.467 -0.447 19007 8239 1 15 . 1 1 97 97 LYS H H 97 8.500 8.500 8.331 0.169 19007 8240 1 15 . 1 1 98 98 GLU N N 98 122.020 122.020 120.022 1.998 19007 8241 1 15 . 1 1 98 98 GLU HA H 98 4.226 4.226 4.252 -0.026 19007 8242 1 15 . 1 1 98 98 GLU C C 98 176.382 176.382 176.115 0.267 19007 8243 1 15 . 1 1 98 98 GLU CA C 98 56.890 56.890 57.048 -0.158 19007 8244 1 15 . 1 1 98 98 GLU CB C 98 30.410 30.410 29.910 0.500 19007 8245 1 15 . 1 1 98 98 GLU H H 98 8.470 8.470 8.592 -0.122 19007 8246 1 15 . 1 1 99 99 ALA N N 99 124.770 124.770 128.120 -3.350 19007 8247 1 15 . 1 1 99 99 ALA HA H 99 4.281 4.281 4.357 -0.076 19007 8248 1 15 . 1 1 99 99 ALA C C 99 177.723 177.723 176.541 1.182 19007 8249 1 15 . 1 1 99 99 ALA CA C 99 52.880 52.880 51.750 1.130 19007 8250 1 15 . 1 1 99 99 ALA CB C 99 19.320 19.320 19.385 -0.065 19007 8251 1 15 . 1 1 99 99 ALA H H 99 8.310 8.310 8.177 0.133 19007 8252 1 15 . 1 1 100 100 GLN N N 100 119.190 119.190 120.871 -1.681 19007 8253 1 15 . 1 1 100 100 GLN HA H 100 4.266 4.266 4.296 -0.030 19007 8254 1 15 . 1 1 100 100 GLN CA C 100 56.000 56.000 55.816 0.184 19007 8255 1 15 . 1 1 100 100 GLN CB C 100 29.970 29.970 29.522 0.448 19007 8256 1 15 . 1 1 100 100 GLN H H 100 8.280 8.280 8.073 0.207 19007 8257 1 15 . 1 1 101 101 GLN N N 101 120.421 120.421 126.017 -5.596 19007 8258 1 15 . 1 1 101 101 GLN HA H 101 4.650 4.650 4.375 0.275 19007 8259 1 15 . 1 1 101 101 GLN C C 101 175.725 175.725 175.010 0.715 19007 8260 1 15 . 1 1 101 101 GLN CA C 101 56.073 56.073 55.636 0.437 19007 8261 1 15 . 1 1 101 101 GLN CB C 101 29.524 29.524 28.241 1.283 19007 8262 1 15 . 1 1 101 101 GLN H H 101 8.114 8.114 8.614 -0.500 19007 8263 1 15 . 1 1 102 102 ILE N N 102 122.940 122.940 124.791 -1.851 19007 8264 1 15 . 1 1 102 102 ILE HA H 102 4.119 4.119 4.388 -0.269 19007 8265 1 15 . 1 1 102 102 ILE C C 102 175.916 175.916 174.570 1.346 19007 8266 1 15 . 1 1 102 102 ILE CA C 102 61.260 61.260 61.635 -0.375 19007 8267 1 15 . 1 1 102 102 ILE CB C 102 38.790 38.790 38.925 -0.135 19007 8268 1 15 . 1 1 102 102 ILE H H 102 8.240 8.240 7.902 0.338 19007 8269 1 15 . 1 1 103 103 ARG N N 103 125.780 125.780 127.491 -1.711 19007 8270 1 15 . 1 1 103 103 ARG HA H 103 4.369 4.369 4.673 -0.304 19007 8271 1 15 . 1 1 103 103 ARG C C 103 175.752 175.752 176.005 -0.253 19007 8272 1 15 . 1 1 103 103 ARG CA C 103 55.940 55.940 55.663 0.277 19007 8273 1 15 . 1 1 103 103 ARG CB C 103 31.340 31.340 30.983 0.357 19007 8274 1 15 . 1 1 103 103 ARG H H 103 8.400 8.400 8.592 -0.192 19007 8275 1 15 . 1 1 104 104 GLU N N 104 123.840 123.840 124.951 -1.111 19007 8276 1 15 . 1 1 104 104 GLU HA H 104 4.296 4.296 4.354 -0.058 19007 8277 1 15 . 1 1 104 104 GLU C C 104 175.314 175.314 176.123 -0.809 19007 8278 1 15 . 1 1 104 104 GLU CA C 104 56.430 56.430 56.465 -0.035 19007 8279 1 15 . 1 1 104 104 GLU CB C 104 30.560 30.560 29.116 1.444 19007 8280 1 15 . 1 1 104 104 GLU H H 104 8.510 8.510 8.815 -0.305 19007 8281 1 16 . 1 1 6 6 THR HA H 6 4.321 4.321 4.222 0.099 19007 8282 1 16 . 1 1 6 6 THR C C 6 174.339 174.339 174.409 -0.070 19007 8283 1 16 . 1 1 6 6 THR CA C 6 62.139 62.139 63.700 -1.561 19007 8284 1 16 . 1 1 6 6 THR CB C 6 69.788 69.788 69.224 0.564 19007 8285 1 16 . 1 1 7 7 LYS N N 7 124.350 124.350 121.658 2.692 19007 8286 1 16 . 1 1 7 7 LYS HA H 7 4.265 4.265 4.508 -0.243 19007 8287 1 16 . 1 1 7 7 LYS C C 7 176.341 176.341 175.136 1.205 19007 8288 1 16 . 1 1 7 7 LYS CA C 7 56.980 56.980 55.229 1.751 19007 8289 1 16 . 1 1 7 7 LYS CB C 7 33.110 33.110 34.669 -1.559 19007 8290 1 16 . 1 1 7 7 LYS H H 7 8.320 8.320 8.015 0.305 19007 8291 1 16 . 1 1 8 8 LYS N N 8 123.170 123.170 120.882 2.288 19007 8292 1 16 . 1 1 8 8 LYS HA H 8 4.253 4.253 4.548 -0.295 19007 8293 1 16 . 1 1 8 8 LYS C C 8 176.083 176.083 176.107 -0.024 19007 8294 1 16 . 1 1 8 8 LYS CA C 8 56.450 56.450 55.638 0.812 19007 8295 1 16 . 1 1 8 8 LYS CB C 8 33.480 33.480 33.473 0.007 19007 8296 1 16 . 1 1 8 8 LYS H H 8 8.340 8.340 8.380 -0.040 19007 8297 1 16 . 1 1 9 9 GLN N N 9 123.010 123.010 119.950 3.060 19007 8298 1 16 . 1 1 9 9 GLN HA H 9 4.289 4.289 4.381 -0.092 19007 8299 1 16 . 1 1 9 9 GLN C C 9 174.914 174.914 175.688 -0.774 19007 8300 1 16 . 1 1 9 9 GLN CA C 9 56.520 56.520 56.929 -0.409 19007 8301 1 16 . 1 1 9 9 GLN CB C 9 30.790 30.790 29.242 1.548 19007 8302 1 16 . 1 1 9 9 GLN H H 9 8.440 8.440 8.570 -0.130 19007 8303 1 16 . 1 1 10 10 GLN N N 10 121.180 121.180 119.244 1.936 19007 8304 1 16 . 1 1 10 10 GLN HA H 10 4.769 4.769 4.939 -0.170 19007 8305 1 16 . 1 1 10 10 GLN C C 10 175.865 175.865 175.215 0.650 19007 8306 1 16 . 1 1 10 10 GLN CA C 10 55.580 55.580 54.554 1.026 19007 8307 1 16 . 1 1 10 10 GLN CB C 10 29.630 29.630 30.358 -0.728 19007 8308 1 16 . 1 1 10 10 GLN H H 10 8.170 8.170 7.971 0.199 19007 8309 1 16 . 1 1 11 11 TYR N N 11 120.110 120.110 125.180 -5.070 19007 8310 1 16 . 1 1 11 11 TYR HA H 11 4.769 4.769 4.714 0.055 19007 8311 1 16 . 1 1 11 11 TYR C C 11 174.319 174.319 173.328 0.991 19007 8312 1 16 . 1 1 11 11 TYR CA C 11 58.490 58.490 57.826 0.664 19007 8313 1 16 . 1 1 11 11 TYR CB C 11 39.350 39.350 42.139 -2.789 19007 8314 1 16 . 1 1 11 11 TYR H H 11 8.470 8.470 8.929 -0.459 19007 8315 1 16 . 1 1 12 12 VAL N N 12 117.030 117.030 126.019 -8.989 19007 8316 1 16 . 1 1 12 12 VAL HA H 12 4.793 4.793 5.194 -0.401 19007 8317 1 16 . 1 1 12 12 VAL C C 12 174.636 174.636 174.397 0.239 19007 8318 1 16 . 1 1 12 12 VAL CA C 12 60.730 60.730 60.413 0.317 19007 8319 1 16 . 1 1 12 12 VAL CB C 12 34.790 34.790 35.081 -0.291 19007 8320 1 16 . 1 1 12 12 VAL H H 12 7.590 7.590 8.093 -0.503 19007 8321 1 16 . 1 1 13 13 THR N N 13 121.770 121.770 122.897 -1.127 19007 8322 1 16 . 1 1 13 13 THR HA H 13 4.615 4.615 4.630 -0.015 19007 8323 1 16 . 1 1 13 13 THR C C 13 173.030 173.030 172.123 0.907 19007 8324 1 16 . 1 1 13 13 THR CA C 13 61.540 61.540 62.229 -0.689 19007 8325 1 16 . 1 1 13 13 THR CB C 13 71.050 71.050 70.262 0.788 19007 8326 1 16 . 1 1 13 13 THR H H 13 8.620 8.620 8.632 -0.012 19007 8327 1 16 . 1 1 14 14 ILE N N 14 126.190 126.190 126.092 0.098 19007 8328 1 16 . 1 1 14 14 ILE HA H 14 4.781 4.781 5.008 -0.227 19007 8329 1 16 . 1 1 14 14 ILE C C 14 175.112 175.112 174.764 0.348 19007 8330 1 16 . 1 1 14 14 ILE CA C 14 61.120 61.120 59.833 1.287 19007 8331 1 16 . 1 1 14 14 ILE CB C 14 40.340 40.340 41.909 -1.569 19007 8332 1 16 . 1 1 14 14 ILE H H 14 8.890 8.890 8.565 0.325 19007 8333 1 16 . 1 1 15 15 LYS N N 15 127.020 127.020 125.249 1.771 19007 8334 1 16 . 1 1 15 15 LYS HA H 15 4.734 4.734 4.747 -0.013 19007 8335 1 16 . 1 1 15 15 LYS C C 15 175.409 175.409 175.281 0.128 19007 8336 1 16 . 1 1 15 15 LYS CA C 15 54.740 54.740 55.028 -0.288 19007 8337 1 16 . 1 1 15 15 LYS CB C 15 35.430 35.430 36.284 -0.854 19007 8338 1 16 . 1 1 15 15 LYS H H 15 8.850 8.850 8.921 -0.071 19007 8339 1 16 . 1 1 16 16 GLY N N 16 112.120 112.120 108.507 3.613 19007 8340 1 16 . 1 1 16 16 GLY C C 16 172.566 172.566 175.254 -2.688 19007 8341 1 16 . 1 1 16 16 GLY CA C 16 45.560 45.560 46.271 -0.711 19007 8342 1 16 . 1 1 16 16 GLY H H 16 8.870 8.870 8.592 0.278 19007 8343 1 16 . 1 1 17 17 THR N N 17 114.520 114.520 114.427 0.093 19007 8344 1 16 . 1 1 17 17 THR HA H 17 4.753 4.753 4.138 0.615 19007 8345 1 16 . 1 1 17 17 THR CA C 17 60.360 60.360 64.371 -4.011 19007 8346 1 16 . 1 1 17 17 THR CB C 17 72.040 72.040 68.570 3.470 19007 8347 1 16 . 1 1 17 17 THR H H 17 8.380 8.380 8.123 0.257 19007 8348 1 16 . 1 1 19 19 ASN HA H 19 4.778 4.778 5.155 -0.377 19007 8349 1 16 . 1 1 19 19 ASN C C 19 174.616 174.616 174.242 0.374 19007 8350 1 16 . 1 1 19 19 ASN CA C 19 53.700 53.700 53.375 0.325 19007 8351 1 16 . 1 1 19 19 ASN CB C 19 39.018 39.018 39.290 -0.272 19007 8352 1 16 . 1 1 20 20 GLY N N 20 108.600 108.600 108.930 -0.330 19007 8353 1 16 . 1 1 20 20 GLY C C 20 172.297 172.297 173.533 -1.236 19007 8354 1 16 . 1 1 20 20 GLY CA C 20 46.310 46.310 45.852 0.458 19007 8355 1 16 . 1 1 20 20 GLY H H 20 7.590 7.590 8.507 -0.917 19007 8356 1 16 . 1 1 21 21 LEU N N 21 123.210 123.210 122.487 0.723 19007 8357 1 16 . 1 1 21 21 LEU HA H 21 5.015 5.015 4.800 0.215 19007 8358 1 16 . 1 1 21 21 LEU C C 21 176.202 176.202 174.226 1.976 19007 8359 1 16 . 1 1 21 21 LEU CA C 21 54.090 54.090 55.482 -1.392 19007 8360 1 16 . 1 1 21 21 LEU CB C 21 45.940 45.940 45.089 0.851 19007 8361 1 16 . 1 1 21 21 LEU H H 21 8.760 8.760 8.367 0.393 19007 8362 1 16 . 1 1 22 22 THR N N 22 120.430 120.430 121.749 -1.319 19007 8363 1 16 . 1 1 22 22 THR HA H 22 5.191 5.191 4.835 0.356 19007 8364 1 16 . 1 1 22 22 THR C C 22 172.852 172.852 173.341 -0.489 19007 8365 1 16 . 1 1 22 22 THR CA C 22 61.850 61.850 61.310 0.539 19007 8366 1 16 . 1 1 22 22 THR CB C 22 69.800 69.800 69.033 0.767 19007 8367 1 16 . 1 1 22 22 THR H H 22 9.150 9.150 8.785 0.365 19007 8368 1 16 . 1 1 23 23 LEU N N 23 127.110 127.110 122.797 4.313 19007 8369 1 16 . 1 1 23 23 LEU HA H 23 4.910 4.910 5.431 -0.521 19007 8370 1 16 . 1 1 23 23 LEU C C 23 174.200 174.200 174.408 -0.208 19007 8371 1 16 . 1 1 23 23 LEU CA C 23 52.770 52.770 53.294 -0.524 19007 8372 1 16 . 1 1 23 23 LEU CB C 23 44.220 44.220 45.285 -1.065 19007 8373 1 16 . 1 1 23 23 LEU H H 23 8.870 8.870 8.301 0.569 19007 8374 1 16 . 1 1 24 24 HIS N N 24 124.600 124.600 123.065 1.535 19007 8375 1 16 . 1 1 24 24 HIS HA H 24 4.875 4.875 5.890 -1.015 19007 8376 1 16 . 1 1 24 24 HIS C C 24 174.033 174.033 173.009 1.024 19007 8377 1 16 . 1 1 24 24 HIS CA C 24 56.000 56.000 54.797 1.203 19007 8378 1 16 . 1 1 24 24 HIS CB C 24 30.400 30.400 33.981 -3.581 19007 8379 1 16 . 1 1 24 24 HIS H H 24 9.160 9.160 9.152 0.008 19007 8380 1 16 . 1 1 25 25 LEU N N 25 125.950 125.950 128.335 -2.385 19007 8381 1 16 . 1 1 25 25 LEU HA H 25 4.382 4.382 5.277 -0.895 19007 8382 1 16 . 1 1 25 25 LEU C C 25 175.806 175.806 173.931 1.875 19007 8383 1 16 . 1 1 25 25 LEU CA C 25 53.250 53.250 53.922 -0.672 19007 8384 1 16 . 1 1 25 25 LEU CB C 25 41.030 41.030 46.483 -5.453 19007 8385 1 16 . 1 1 25 25 LEU H H 25 8.420 8.420 8.305 0.116 19007 8386 1 16 . 1 1 26 26 ASP N N 26 126.170 126.170 128.140 -1.970 19007 8387 1 16 . 1 1 26 26 ASP HA H 26 4.344 4.344 5.037 -0.693 19007 8388 1 16 . 1 1 26 26 ASP C C 26 176.302 176.302 174.136 2.166 19007 8389 1 16 . 1 1 26 26 ASP CA C 26 56.480 56.480 54.207 2.273 19007 8390 1 16 . 1 1 26 26 ASP CB C 26 43.880 43.880 42.721 1.159 19007 8391 1 16 . 1 1 26 26 ASP H H 26 8.630 8.630 9.105 -0.475 19007 8392 1 16 . 1 1 27 27 ASP N N 27 122.430 122.430 124.218 -1.788 19007 8393 1 16 . 1 1 27 27 ASP HA H 27 4.540 4.540 4.813 -0.273 19007 8394 1 16 . 1 1 27 27 ASP C C 27 176.381 176.381 173.784 2.597 19007 8395 1 16 . 1 1 27 27 ASP CA C 27 54.060 54.060 53.662 0.398 19007 8396 1 16 . 1 1 27 27 ASP CB C 27 40.820 40.820 44.537 -3.717 19007 8397 1 16 . 1 1 27 27 ASP H H 27 8.150 8.150 7.829 0.321 19007 8398 1 16 . 1 1 28 28 ALA N N 28 123.520 123.520 120.963 2.557 19007 8399 1 16 . 1 1 28 28 ALA HA H 28 4.600 4.600 4.987 -0.387 19007 8400 1 16 . 1 1 28 28 ALA C C 28 178.324 178.324 176.282 2.042 19007 8401 1 16 . 1 1 28 28 ALA CA C 28 52.860 52.860 51.941 0.919 19007 8402 1 16 . 1 1 28 28 ALA CB C 28 20.790 20.790 20.967 -0.177 19007 8403 1 16 . 1 1 28 28 ALA H H 28 8.480 8.480 8.413 0.067 19007 8404 1 16 . 1 1 29 29 CYS N N 29 115.580 115.580 116.445 -0.865 19007 8405 1 16 . 1 1 29 29 CYS HA H 29 4.680 4.680 4.194 0.486 19007 8406 1 16 . 1 1 29 29 CYS C C 29 174.696 174.696 174.006 0.690 19007 8407 1 16 . 1 1 29 29 CYS CA C 29 56.060 56.060 59.111 -3.051 19007 8408 1 16 . 1 1 29 29 CYS CB C 29 29.050 29.050 25.227 3.823 19007 8409 1 16 . 1 1 29 29 CYS H H 29 7.510 7.510 8.775 -1.265 19007 8410 1 16 . 1 1 30 30 SER N N 30 119.090 119.090 114.054 5.036 19007 8411 1 16 . 1 1 30 30 SER HA H 30 4.500 4.500 4.365 0.135 19007 8412 1 16 . 1 1 30 30 SER CA C 30 58.370 58.370 57.071 1.300 19007 8413 1 16 . 1 1 30 30 SER CB C 30 64.170 64.170 65.120 -0.950 19007 8414 1 16 . 1 1 30 30 SER H H 30 9.170 9.170 7.721 1.449 19007 8415 1 16 . 1 1 31 31 PHE HA H 31 4.041 4.041 4.704 -0.663 19007 8416 1 16 . 1 1 31 31 PHE C C 31 176.440 176.440 176.450 -0.010 19007 8417 1 16 . 1 1 31 31 PHE CA C 31 62.491 62.491 56.987 5.504 19007 8418 1 16 . 1 1 31 31 PHE CB C 31 39.018 39.018 39.463 -0.445 19007 8419 1 16 . 1 1 32 32 ASP N N 32 116.020 116.020 120.078 -4.058 19007 8420 1 16 . 1 1 32 32 ASP HA H 32 4.139 4.139 4.661 -0.522 19007 8421 1 16 . 1 1 32 32 ASP C C 32 178.978 178.978 176.895 2.083 19007 8422 1 16 . 1 1 32 32 ASP CA C 32 57.670 57.670 53.190 4.480 19007 8423 1 16 . 1 1 32 32 ASP CB C 32 40.290 40.290 39.922 0.368 19007 8424 1 16 . 1 1 32 32 ASP H H 32 8.370 8.370 8.887 -0.517 19007 8425 1 16 . 1 1 33 33 GLU N N 33 120.170 120.170 120.596 -0.426 19007 8426 1 16 . 1 1 33 33 GLU HA H 33 4.149 4.149 4.051 0.098 19007 8427 1 16 . 1 1 33 33 GLU C C 33 179.256 179.256 178.261 0.995 19007 8428 1 16 . 1 1 33 33 GLU CA C 33 58.810 58.810 58.994 -0.184 19007 8429 1 16 . 1 1 33 33 GLU CB C 33 29.510 29.510 28.798 0.712 19007 8430 1 16 . 1 1 33 33 GLU H H 33 7.560 7.560 8.785 -1.225 19007 8431 1 16 . 1 1 34 34 LEU N N 34 121.930 121.930 119.278 2.652 19007 8432 1 16 . 1 1 34 34 LEU HA H 34 3.755 3.755 4.225 -0.470 19007 8433 1 16 . 1 1 34 34 LEU C C 34 178.205 178.205 178.254 -0.049 19007 8434 1 16 . 1 1 34 34 LEU CA C 34 57.910 57.910 57.003 0.907 19007 8435 1 16 . 1 1 34 34 LEU CB C 34 41.980 41.980 42.103 -0.123 19007 8436 1 16 . 1 1 34 34 LEU H H 34 7.730 7.730 8.204 -0.474 19007 8437 1 16 . 1 1 35 35 LEU N N 35 118.190 118.190 119.922 -1.732 19007 8438 1 16 . 1 1 35 35 LEU HA H 35 3.575 3.575 4.207 -0.632 19007 8439 1 16 . 1 1 35 35 LEU C C 35 179.295 179.295 178.134 1.161 19007 8440 1 16 . 1 1 35 35 LEU CA C 35 57.990 57.990 57.362 0.628 19007 8441 1 16 . 1 1 35 35 LEU CB C 35 40.900 40.900 41.962 -1.062 19007 8442 1 16 . 1 1 35 35 LEU H H 35 7.880 7.880 7.610 0.270 19007 8443 1 16 . 1 1 36 36 ASP N N 36 118.760 118.760 120.094 -1.334 19007 8444 1 16 . 1 1 36 36 ASP HA H 36 4.308 4.308 4.336 -0.028 19007 8445 1 16 . 1 1 36 36 ASP C C 36 178.819 178.819 178.317 0.502 19007 8446 1 16 . 1 1 36 36 ASP CA C 36 57.570 57.570 57.764 -0.194 19007 8447 1 16 . 1 1 36 36 ASP CB C 36 41.500 41.500 40.586 0.914 19007 8448 1 16 . 1 1 36 36 ASP H H 36 7.580 7.580 8.802 -1.222 19007 8449 1 16 . 1 1 37 37 GLY N N 37 107.520 107.520 108.332 -0.812 19007 8450 1 16 . 1 1 37 37 GLY C C 37 176.678 176.678 176.571 0.107 19007 8451 1 16 . 1 1 37 37 GLY CA C 37 47.340 47.340 47.549 -0.209 19007 8452 1 16 . 1 1 37 37 GLY H H 37 8.210 8.210 8.297 -0.087 19007 8453 1 16 . 1 1 38 38 LEU N N 38 123.680 123.680 122.656 1.024 19007 8454 1 16 . 1 1 38 38 LEU HA H 38 4.007 4.007 4.183 -0.176 19007 8455 1 16 . 1 1 38 38 LEU C C 38 177.769 177.769 178.658 -0.889 19007 8456 1 16 . 1 1 38 38 LEU CA C 38 57.970 57.970 56.512 1.458 19007 8457 1 16 . 1 1 38 38 LEU CB C 38 42.250 42.250 40.803 1.446 19007 8458 1 16 . 1 1 38 38 LEU H H 38 8.800 8.800 7.511 1.289 19007 8459 1 16 . 1 1 39 39 GLN N N 39 118.840 118.840 120.528 -1.688 19007 8460 1 16 . 1 1 39 39 GLN HA H 39 3.887 3.887 3.865 0.022 19007 8461 1 16 . 1 1 39 39 GLN C C 39 178.443 178.443 178.393 0.050 19007 8462 1 16 . 1 1 39 39 GLN CA C 39 59.450 59.450 59.781 -0.331 19007 8463 1 16 . 1 1 39 39 GLN CB C 39 28.400 28.400 28.643 -0.243 19007 8464 1 16 . 1 1 39 39 GLN H H 39 8.460 8.460 8.602 -0.142 19007 8465 1 16 . 1 1 40 40 ASN N N 40 116.110 116.110 118.078 -1.968 19007 8466 1 16 . 1 1 40 40 ASN HA H 40 4.488 4.488 4.471 0.017 19007 8467 1 16 . 1 1 40 40 ASN C C 40 177.491 177.491 177.542 -0.051 19007 8468 1 16 . 1 1 40 40 ASN CA C 40 56.330 56.330 56.558 -0.228 19007 8469 1 16 . 1 1 40 40 ASN CB C 40 39.230 39.230 38.751 0.479 19007 8470 1 16 . 1 1 40 40 ASN H H 40 7.810 7.810 8.645 -0.835 19007 8471 1 16 . 1 1 41 41 MET N N 41 119.840 119.840 120.790 -0.950 19007 8472 1 16 . 1 1 41 41 MET HA H 41 4.344 4.344 4.137 0.207 19007 8473 1 16 . 1 1 41 41 MET C C 41 177.551 177.551 178.193 -0.642 19007 8474 1 16 . 1 1 41 41 MET CA C 41 58.140 58.140 59.296 -1.156 19007 8475 1 16 . 1 1 41 41 MET CB C 41 32.600 32.600 32.833 -0.233 19007 8476 1 16 . 1 1 41 41 MET H H 41 8.060 8.060 7.747 0.313 19007 8477 1 16 . 1 1 42 42 LEU N N 42 116.680 116.680 118.882 -2.202 19007 8478 1 16 . 1 1 42 42 LEU HA H 42 4.236 4.236 4.013 0.223 19007 8479 1 16 . 1 1 42 42 LEU C C 42 177.055 177.055 179.611 -2.556 19007 8480 1 16 . 1 1 42 42 LEU CA C 42 55.850 55.850 57.876 -2.026 19007 8481 1 16 . 1 1 42 42 LEU CB C 42 41.490 41.490 41.715 -0.225 19007 8482 1 16 . 1 1 42 42 LEU H H 42 8.280 8.280 8.618 -0.338 19007 8483 1 16 . 1 1 43 43 SER N N 43 113.420 113.420 112.964 0.456 19007 8484 1 16 . 1 1 43 43 SER HA H 43 4.452 4.452 4.259 0.193 19007 8485 1 16 . 1 1 43 43 SER C C 43 174.755 174.755 175.486 -0.731 19007 8486 1 16 . 1 1 43 43 SER CA C 43 59.340 59.340 61.794 -2.454 19007 8487 1 16 . 1 1 43 43 SER CB C 43 63.580 63.580 63.263 0.317 19007 8488 1 16 . 1 1 43 43 SER H H 43 7.650 7.650 7.821 -0.171 19007 8489 1 16 . 1 1 44 44 ILE N N 44 120.390 120.390 118.244 2.146 19007 8490 1 16 . 1 1 44 44 ILE HA H 44 4.188 4.188 4.042 0.146 19007 8491 1 16 . 1 1 44 44 ILE C C 44 176.440 176.440 176.519 -0.079 19007 8492 1 16 . 1 1 44 44 ILE CA C 44 61.500 61.500 62.501 -1.001 19007 8493 1 16 . 1 1 44 44 ILE CB C 44 38.640 38.640 38.445 0.195 19007 8494 1 16 . 1 1 44 44 ILE H H 44 7.590 7.590 7.363 0.227 19007 8495 1 16 . 1 1 45 45 GLU N N 45 118.850 118.850 120.028 -1.178 19007 8496 1 16 . 1 1 45 45 GLU HA H 45 4.272 4.272 4.208 0.064 19007 8497 1 16 . 1 1 45 45 GLU C C 45 176.698 176.698 177.056 -0.358 19007 8498 1 16 . 1 1 45 45 GLU CA C 45 61.950 61.950 58.180 3.770 19007 8499 1 16 . 1 1 45 45 GLU CB C 45 29.840 29.840 31.000 -1.160 19007 8500 1 16 . 1 1 45 45 GLU H H 45 8.200 8.200 8.116 0.084 19007 8501 1 16 . 1 1 46 46 GLN N N 46 118.260 118.260 117.859 0.401 19007 8502 1 16 . 1 1 46 46 GLN HA H 46 4.212 4.212 4.555 -0.343 19007 8503 1 16 . 1 1 46 46 GLN C C 46 176.361 176.361 174.408 1.953 19007 8504 1 16 . 1 1 46 46 GLN CA C 46 56.770 56.770 55.260 1.510 19007 8505 1 16 . 1 1 46 46 GLN CB C 46 28.920 28.920 29.580 -0.660 19007 8506 1 16 . 1 1 46 46 GLN H H 46 8.270 8.270 8.178 0.092 19007 8507 1 16 . 1 1 47 47 TYR N N 47 117.690 117.690 119.856 -2.166 19007 8508 1 16 . 1 1 47 47 TYR HA H 47 4.701 4.701 5.010 -0.309 19007 8509 1 16 . 1 1 47 47 TYR C C 47 175.588 175.588 174.824 0.764 19007 8510 1 16 . 1 1 47 47 TYR CA C 47 58.290 58.290 56.923 1.367 19007 8511 1 16 . 1 1 47 47 TYR CB C 47 39.250 39.250 38.910 0.340 19007 8512 1 16 . 1 1 47 47 TYR H H 47 7.980 7.980 8.247 -0.267 19007 8513 1 16 . 1 1 48 48 THR N N 48 108.930 108.930 115.454 -6.524 19007 8514 1 16 . 1 1 48 48 THR HA H 48 4.464 4.464 3.974 0.490 19007 8515 1 16 . 1 1 48 48 THR C C 48 176.381 176.381 173.968 2.413 19007 8516 1 16 . 1 1 48 48 THR CA C 48 61.150 61.150 62.295 -1.145 19007 8517 1 16 . 1 1 48 48 THR CB C 48 70.190 70.190 69.197 0.993 19007 8518 1 16 . 1 1 48 48 THR H H 48 7.570 7.570 7.026 0.544 19007 8519 1 16 . 1 1 49 49 ASP N N 49 121.350 121.350 126.300 -4.950 19007 8520 1 16 . 1 1 49 49 ASP HA H 49 4.752 4.752 4.599 0.153 19007 8521 1 16 . 1 1 49 49 ASP C C 49 177.015 177.015 177.176 -0.161 19007 8522 1 16 . 1 1 49 49 ASP CA C 49 53.710 53.710 54.242 -0.532 19007 8523 1 16 . 1 1 49 49 ASP CB C 49 41.200 41.200 43.234 -2.034 19007 8524 1 16 . 1 1 49 49 ASP H H 49 8.100 8.100 8.643 -0.543 19007 8525 1 16 . 1 1 50 50 GLY N N 50 112.360 112.360 108.442 3.918 19007 8526 1 16 . 1 1 50 50 GLY C C 50 175.449 175.449 174.855 0.594 19007 8527 1 16 . 1 1 50 50 GLY CA C 50 46.000 46.000 45.689 0.311 19007 8528 1 16 . 1 1 50 50 GLY H H 50 9.080 9.080 8.711 0.369 19007 8529 1 16 . 1 1 51 51 LYS N N 51 119.510 119.510 121.448 -1.938 19007 8530 1 16 . 1 1 51 51 LYS HA H 51 4.200 4.200 4.525 -0.325 19007 8531 1 16 . 1 1 51 51 LYS C C 51 177.214 177.214 176.786 0.428 19007 8532 1 16 . 1 1 51 51 LYS CA C 51 56.540 56.540 56.596 -0.056 19007 8533 1 16 . 1 1 51 51 LYS CB C 51 31.420 31.420 34.519 -3.099 19007 8534 1 16 . 1 1 51 51 LYS H H 51 8.590 8.590 8.777 -0.187 19007 8535 1 16 . 1 1 52 52 GLY N N 52 108.180 108.180 109.362 -1.182 19007 8536 1 16 . 1 1 52 52 GLY C C 52 174.279 174.279 172.464 1.815 19007 8537 1 16 . 1 1 52 52 GLY CA C 52 45.450 45.450 45.354 0.096 19007 8538 1 16 . 1 1 52 52 GLY H H 52 8.670 8.670 8.609 0.061 19007 8539 1 16 . 1 1 53 53 GLN N N 53 120.010 120.010 121.115 -1.105 19007 8540 1 16 . 1 1 53 53 GLN HA H 53 4.440 4.440 4.365 0.075 19007 8541 1 16 . 1 1 53 53 GLN C C 53 175.001 175.001 174.477 0.524 19007 8542 1 16 . 1 1 53 53 GLN CA C 53 54.580 54.580 55.384 -0.804 19007 8543 1 16 . 1 1 53 53 GLN CB C 53 30.330 30.330 29.122 1.208 19007 8544 1 16 . 1 1 53 53 GLN H H 53 7.860 7.860 8.261 -0.401 19007 8545 1 16 . 1 1 54 54 LYS N N 54 120.420 120.420 126.374 -5.954 19007 8546 1 16 . 1 1 54 54 LYS HA H 54 4.704 4.704 5.125 -0.421 19007 8547 1 16 . 1 1 54 54 LYS C C 54 176.753 176.753 175.018 1.735 19007 8548 1 16 . 1 1 54 54 LYS CA C 54 55.830 55.830 54.989 0.842 19007 8549 1 16 . 1 1 54 54 LYS CB C 54 33.850 33.850 35.896 -2.046 19007 8550 1 16 . 1 1 54 54 LYS H H 54 8.250 8.250 9.520 -1.270 19007 8551 1 16 . 1 1 55 55 ILE N N 55 125.360 125.360 128.571 -3.211 19007 8552 1 16 . 1 1 55 55 ILE HA H 55 4.169 4.169 4.923 -0.754 19007 8553 1 16 . 1 1 55 55 ILE C C 55 174.405 174.405 174.873 -0.468 19007 8554 1 16 . 1 1 55 55 ILE CA C 55 60.350 60.350 60.125 0.225 19007 8555 1 16 . 1 1 55 55 ILE CB C 55 39.690 39.690 37.775 1.915 19007 8556 1 16 . 1 1 55 55 ILE H H 55 9.050 9.050 9.306 -0.256 19007 8557 1 16 . 1 1 56 56 SER N N 56 121.850 121.850 122.090 -0.240 19007 8558 1 16 . 1 1 56 56 SER HA H 56 4.480 4.480 5.239 -0.759 19007 8559 1 16 . 1 1 56 56 SER C C 56 174.105 174.105 174.165 -0.060 19007 8560 1 16 . 1 1 56 56 SER CA C 56 57.410 57.410 56.401 1.009 19007 8561 1 16 . 1 1 56 56 SER CB C 56 64.080 64.080 63.359 0.721 19007 8562 1 16 . 1 1 56 56 SER H H 56 8.330 8.330 8.795 -0.465 19007 8563 1 16 . 1 1 57 57 VAL N N 57 123.190 123.190 126.601 -3.411 19007 8564 1 16 . 1 1 57 57 VAL HA H 57 4.861 4.861 4.289 0.572 19007 8565 1 16 . 1 1 57 57 VAL C C 57 174.869 174.869 174.809 0.060 19007 8566 1 16 . 1 1 57 57 VAL CA C 57 61.130 61.130 61.606 -0.476 19007 8567 1 16 . 1 1 57 57 VAL CB C 57 33.600 33.600 30.940 2.660 19007 8568 1 16 . 1 1 57 57 VAL H H 57 8.680 8.680 8.755 -0.075 19007 8569 1 16 . 1 1 58 58 HIS N N 58 129.590 129.590 128.029 1.561 19007 8570 1 16 . 1 1 58 58 HIS HA H 58 5.076 5.076 5.177 -0.101 19007 8571 1 16 . 1 1 58 58 HIS C C 58 174.351 174.351 174.309 0.042 19007 8572 1 16 . 1 1 58 58 HIS CA C 58 54.420 54.420 54.477 -0.057 19007 8573 1 16 . 1 1 58 58 HIS CB C 58 31.720 31.720 31.014 0.706 19007 8574 1 16 . 1 1 58 58 HIS H H 58 9.050 9.050 8.669 0.381 19007 8575 1 16 . 1 1 59 59 VAL N N 59 125.260 125.260 123.478 1.782 19007 8576 1 16 . 1 1 59 59 VAL HA H 59 4.408 4.408 4.338 0.070 19007 8577 1 16 . 1 1 59 59 VAL C C 59 174.460 174.460 174.552 -0.092 19007 8578 1 16 . 1 1 59 59 VAL CA C 59 62.370 62.370 60.825 1.545 19007 8579 1 16 . 1 1 59 59 VAL CB C 59 32.760 32.760 32.440 0.320 19007 8580 1 16 . 1 1 59 59 VAL H H 59 8.800 8.800 8.066 0.734 19007 8581 1 16 . 1 1 60 60 LYS N N 60 128.520 128.520 125.563 2.957 19007 8582 1 16 . 1 1 60 60 LYS HA H 60 4.909 4.909 4.467 0.442 19007 8583 1 16 . 1 1 60 60 LYS C C 60 175.825 175.825 176.319 -0.494 19007 8584 1 16 . 1 1 60 60 LYS CA C 60 54.450 54.450 55.197 -0.747 19007 8585 1 16 . 1 1 60 60 LYS CB C 60 32.490 32.490 32.222 0.268 19007 8586 1 16 . 1 1 60 60 LYS H H 60 9.040 9.040 8.501 0.539 19007 8587 1 16 . 1 1 61 61 LEU N N 61 121.430 121.430 118.828 2.602 19007 8588 1 16 . 1 1 61 61 LEU HA H 61 4.527 4.527 4.338 0.189 19007 8589 1 16 . 1 1 61 61 LEU C C 61 178.910 178.910 178.433 0.477 19007 8590 1 16 . 1 1 61 61 LEU CA C 61 54.410 54.410 55.746 -1.336 19007 8591 1 16 . 1 1 61 61 LEU CB C 61 44.330 44.330 42.207 2.123 19007 8592 1 16 . 1 1 61 61 LEU H H 61 8.700 8.700 7.836 0.864 19007 8593 1 16 . 1 1 62 62 GLY N N 62 110.520 110.520 105.653 4.867 19007 8594 1 16 . 1 1 62 62 GLY C C 62 175.350 175.350 174.403 0.947 19007 8595 1 16 . 1 1 62 62 GLY CA C 62 46.710 46.710 46.652 0.058 19007 8596 1 16 . 1 1 62 62 GLY H H 62 9.060 9.060 8.504 0.556 19007 8597 1 16 . 1 1 63 63 ASN N N 63 127.090 127.090 122.294 4.796 19007 8598 1 16 . 1 1 63 63 ASN HA H 63 4.778 4.778 4.961 -0.183 19007 8599 1 16 . 1 1 63 63 ASN C C 63 174.214 174.214 175.878 -1.664 19007 8600 1 16 . 1 1 63 63 ASN CA C 63 52.910 52.910 51.300 1.609 19007 8601 1 16 . 1 1 63 63 ASN CB C 63 38.100 38.100 37.431 0.669 19007 8602 1 16 . 1 1 63 63 ASN H H 63 10.390 10.390 8.122 2.268 19007 8603 1 16 . 1 1 64 64 ARG N N 64 121.850 121.850 119.158 2.692 19007 8604 1 16 . 1 1 64 64 ARG HA H 64 4.265 4.265 4.224 0.041 19007 8605 1 16 . 1 1 64 64 ARG C C 64 174.214 174.214 176.543 -2.329 19007 8606 1 16 . 1 1 64 64 ARG CA C 64 56.330 56.330 57.340 -1.010 19007 8607 1 16 . 1 1 64 64 ARG CB C 64 33.860 33.860 30.076 3.784 19007 8608 1 16 . 1 1 64 64 ARG H H 64 7.520 7.520 7.389 0.131 19007 8609 1 16 . 1 1 65 65 PHE N N 65 127.760 127.760 117.445 10.315 19007 8610 1 16 . 1 1 65 65 PHE HA H 65 4.503 4.503 4.138 0.365 19007 8611 1 16 . 1 1 65 65 PHE C C 65 176.508 176.508 174.111 2.397 19007 8612 1 16 . 1 1 65 65 PHE CA C 65 56.760 56.760 58.264 -1.504 19007 8613 1 16 . 1 1 65 65 PHE CB C 65 40.430 40.430 38.047 2.383 19007 8614 1 16 . 1 1 65 65 PHE H H 65 8.580 8.580 8.236 0.344 19007 8615 1 16 . 1 1 66 66 LEU N N 66 125.260 125.260 120.303 4.957 19007 8616 1 16 . 1 1 66 66 LEU HA H 66 4.288 4.288 4.451 -0.163 19007 8617 1 16 . 1 1 66 66 LEU C C 66 176.508 176.508 176.351 0.157 19007 8618 1 16 . 1 1 66 66 LEU CA C 66 53.080 53.080 54.520 -1.440 19007 8619 1 16 . 1 1 66 66 LEU CB C 66 43.170 43.170 43.222 -0.052 19007 8620 1 16 . 1 1 66 66 LEU H H 66 8.040 8.040 7.674 0.366 19007 8621 1 16 . 1 1 67 67 TYR N N 67 120.480 120.480 123.891 -3.411 19007 8622 1 16 . 1 1 67 67 TYR HA H 67 4.515 4.515 4.302 0.213 19007 8623 1 16 . 1 1 67 67 TYR C C 67 177.791 177.791 177.025 0.766 19007 8624 1 16 . 1 1 67 67 TYR CA C 67 58.120 58.120 58.521 -0.401 19007 8625 1 16 . 1 1 67 67 TYR CB C 67 39.320 39.320 37.913 1.407 19007 8626 1 16 . 1 1 67 67 TYR H H 67 7.880 7.880 8.868 -0.988 19007 8627 1 16 . 1 1 68 68 LYS N N 68 125.020 125.020 126.211 -1.191 19007 8628 1 16 . 1 1 68 68 LYS HA H 68 4.034 4.034 3.914 0.120 19007 8629 1 16 . 1 1 68 68 LYS C C 68 178.364 178.364 178.151 0.213 19007 8630 1 16 . 1 1 68 68 LYS CA C 68 60.130 60.130 58.907 1.224 19007 8631 1 16 . 1 1 68 68 LYS CB C 68 32.150 32.150 32.041 0.109 19007 8632 1 16 . 1 1 68 68 LYS H H 68 9.120 9.120 8.463 0.657 19007 8633 1 16 . 1 1 69 69 GLU N N 69 116.430 116.430 119.689 -3.259 19007 8634 1 16 . 1 1 69 69 GLU HA H 69 4.133 4.133 4.072 0.061 19007 8635 1 16 . 1 1 69 69 GLU C C 69 179.538 179.538 179.042 0.496 19007 8636 1 16 . 1 1 69 69 GLU CA C 69 60.030 60.030 59.955 0.075 19007 8637 1 16 . 1 1 69 69 GLU CB C 69 28.560 28.560 28.969 -0.409 19007 8638 1 16 . 1 1 69 69 GLU H H 69 9.460 9.460 8.744 0.716 19007 8639 1 16 . 1 1 70 70 GLN N N 70 117.670 117.670 117.920 -0.250 19007 8640 1 16 . 1 1 70 70 GLN HA H 70 4.120 4.120 4.104 0.016 19007 8641 1 16 . 1 1 70 70 GLN C C 70 177.955 177.955 178.807 -0.852 19007 8642 1 16 . 1 1 70 70 GLN CA C 70 57.950 57.950 58.566 -0.616 19007 8643 1 16 . 1 1 70 70 GLN CB C 70 29.290 29.290 28.456 0.834 19007 8644 1 16 . 1 1 70 70 GLN H H 70 7.000 7.000 7.834 -0.834 19007 8645 1 16 . 1 1 71 71 GLU N N 71 120.850 120.850 118.812 2.038 19007 8646 1 16 . 1 1 71 71 GLU HA H 71 3.668 3.668 4.126 -0.458 19007 8647 1 16 . 1 1 71 71 GLU C C 71 179.429 179.429 179.159 0.270 19007 8648 1 16 . 1 1 71 71 GLU CA C 71 60.620 60.620 58.373 2.247 19007 8649 1 16 . 1 1 71 71 GLU CB C 71 29.660 29.660 29.023 0.637 19007 8650 1 16 . 1 1 71 71 GLU H H 71 8.080 8.080 7.657 0.423 19007 8651 1 16 . 1 1 72 72 GLU N N 72 119.670 119.670 121.087 -1.417 19007 8652 1 16 . 1 1 72 72 GLU HA H 72 4.038 4.038 3.948 0.090 19007 8653 1 16 . 1 1 72 72 GLU C C 72 178.446 178.446 178.717 -0.271 19007 8654 1 16 . 1 1 72 72 GLU CA C 72 59.690 59.690 59.988 -0.298 19007 8655 1 16 . 1 1 72 72 GLU CB C 72 29.350 29.350 29.542 -0.192 19007 8656 1 16 . 1 1 72 72 GLU H H 72 8.390 8.390 8.554 -0.164 19007 8657 1 16 . 1 1 73 73 GLN N N 73 119.030 119.030 117.595 1.435 19007 8658 1 16 . 1 1 73 73 GLN HA H 73 4.110 4.110 4.037 0.073 19007 8659 1 16 . 1 1 73 73 GLN C C 73 179.320 179.320 177.943 1.377 19007 8660 1 16 . 1 1 73 73 GLN CA C 73 59.470 59.470 58.646 0.824 19007 8661 1 16 . 1 1 73 73 GLN CB C 73 29.480 29.480 28.161 1.319 19007 8662 1 16 . 1 1 73 73 GLN H H 73 7.730 7.730 8.372 -0.642 19007 8663 1 16 . 1 1 74 74 LEU N N 74 119.760 119.760 113.281 6.479 19007 8664 1 16 . 1 1 74 74 LEU HA H 74 3.918 3.918 4.469 -0.551 19007 8665 1 16 . 1 1 74 74 LEU C C 74 177.818 177.818 178.753 -0.935 19007 8666 1 16 . 1 1 74 74 LEU CA C 74 58.720 58.720 56.893 1.827 19007 8667 1 16 . 1 1 74 74 LEU CB C 74 42.890 42.890 41.634 1.256 19007 8668 1 16 . 1 1 74 74 LEU H H 74 8.290 8.290 7.137 1.153 19007 8669 1 16 . 1 1 75 75 THR N N 75 113.520 113.520 118.227 -4.707 19007 8670 1 16 . 1 1 75 75 THR HA H 75 3.680 3.680 3.939 -0.259 19007 8671 1 16 . 1 1 75 75 THR C C 75 176.480 176.480 176.382 0.098 19007 8672 1 16 . 1 1 75 75 THR CA C 75 66.990 66.990 67.311 -0.321 19007 8673 1 16 . 1 1 75 75 THR CB C 75 68.640 68.640 68.448 0.192 19007 8674 1 16 . 1 1 75 75 THR H H 75 8.450 8.450 8.405 0.045 19007 8675 1 16 . 1 1 76 76 GLU N N 76 121.340 121.340 121.852 -0.512 19007 8676 1 16 . 1 1 76 76 GLU HA H 76 4.014 4.014 3.940 0.074 19007 8677 1 16 . 1 1 76 76 GLU C C 76 178.965 178.965 178.680 0.285 19007 8678 1 16 . 1 1 76 76 GLU CA C 76 59.190 59.190 59.585 -0.395 19007 8679 1 16 . 1 1 76 76 GLU CB C 76 29.590 29.590 29.302 0.288 19007 8680 1 16 . 1 1 76 76 GLU H H 76 8.330 8.330 8.174 0.156 19007 8681 1 16 . 1 1 77 77 LEU N N 77 120.170 120.170 118.865 1.305 19007 8682 1 16 . 1 1 77 77 LEU HA H 77 3.955 3.955 4.044 -0.089 19007 8683 1 16 . 1 1 77 77 LEU C C 77 180.057 180.057 178.747 1.310 19007 8684 1 16 . 1 1 77 77 LEU CA C 77 58.510 58.510 58.447 0.063 19007 8685 1 16 . 1 1 77 77 LEU CB C 77 42.716 42.716 41.839 0.877 19007 8686 1 16 . 1 1 77 77 LEU H H 77 7.560 7.560 7.505 0.055 19007 8687 1 16 . 1 1 78 78 ILE N N 78 119.930 119.930 117.944 1.986 19007 8688 1 16 . 1 1 78 78 ILE HA H 78 3.429 3.429 3.744 -0.315 19007 8689 1 16 . 1 1 78 78 ILE C C 78 176.043 176.043 177.994 -1.951 19007 8690 1 16 . 1 1 78 78 ILE CA C 78 65.740 65.740 63.816 1.923 19007 8691 1 16 . 1 1 78 78 ILE CB C 78 37.960 37.960 37.393 0.567 19007 8692 1 16 . 1 1 78 78 ILE H H 78 7.740 7.740 7.555 0.185 19007 8693 1 16 . 1 1 79 79 ALA N N 79 116.940 116.940 123.621 -6.681 19007 8694 1 16 . 1 1 79 79 ALA HA H 79 4.229 4.229 4.013 0.216 19007 8695 1 16 . 1 1 79 79 ALA C C 79 178.719 178.719 179.601 -0.882 19007 8696 1 16 . 1 1 79 79 ALA CA C 79 53.390 53.390 55.290 -1.900 19007 8697 1 16 . 1 1 79 79 ALA CB C 79 18.500 18.500 17.888 0.612 19007 8698 1 16 . 1 1 79 79 ALA H H 79 8.210 8.210 8.665 -0.455 19007 8699 1 16 . 1 1 80 80 SER N N 80 113.260 113.260 113.638 -0.378 19007 8700 1 16 . 1 1 80 80 SER HA H 80 4.253 4.253 4.292 -0.039 19007 8701 1 16 . 1 1 80 80 SER C C 80 174.869 174.869 174.739 0.130 19007 8702 1 16 . 1 1 80 80 SER CA C 80 60.550 60.550 60.530 0.020 19007 8703 1 16 . 1 1 80 80 SER CB C 80 63.130 63.130 63.334 -0.204 19007 8704 1 16 . 1 1 80 80 SER H H 80 7.600 7.600 7.854 -0.254 19007 8705 1 16 . 1 1 81 81 LYS N N 81 123.510 123.510 117.430 6.080 19007 8706 1 16 . 1 1 81 81 LYS HA H 81 4.527 4.527 4.564 -0.037 19007 8707 1 16 . 1 1 81 81 LYS C C 81 176.289 176.289 175.191 1.098 19007 8708 1 16 . 1 1 81 81 LYS CA C 81 54.000 54.000 55.553 -1.553 19007 8709 1 16 . 1 1 81 81 LYS CB C 81 30.440 30.440 32.585 -2.145 19007 8710 1 16 . 1 1 81 81 LYS H H 81 7.690 7.690 7.803 -0.113 19007 8711 1 16 . 1 1 82 82 LYS N N 82 120.760 120.760 121.151 -0.391 19007 8712 1 16 . 1 1 82 82 LYS HA H 82 4.539 4.539 4.254 0.285 19007 8713 1 16 . 1 1 82 82 LYS C C 82 176.835 176.835 175.770 1.065 19007 8714 1 16 . 1 1 82 82 LYS CA C 82 59.090 59.090 56.627 2.463 19007 8715 1 16 . 1 1 82 82 LYS CB C 82 32.330 32.330 30.490 1.840 19007 8716 1 16 . 1 1 82 82 LYS H H 82 8.190 8.190 7.685 0.505 19007 8717 1 16 . 1 1 83 83 ASP N N 83 117.280 117.280 120.971 -3.691 19007 8718 1 16 . 1 1 83 83 ASP HA H 83 4.659 4.659 4.506 0.153 19007 8719 1 16 . 1 1 83 83 ASP C C 83 174.460 174.460 176.359 -1.899 19007 8720 1 16 . 1 1 83 83 ASP CA C 83 55.390 55.390 54.917 0.473 19007 8721 1 16 . 1 1 83 83 ASP CB C 83 40.680 40.680 41.334 -0.654 19007 8722 1 16 . 1 1 83 83 ASP H H 83 8.670 8.670 8.179 0.491 19007 8723 1 16 . 1 1 84 84 LEU N N 84 117.780 117.780 119.308 -1.528 19007 8724 1 16 . 1 1 84 84 LEU HA H 84 5.100 5.100 4.101 0.999 19007 8725 1 16 . 1 1 84 84 LEU C C 84 176.753 176.753 177.633 -0.880 19007 8726 1 16 . 1 1 84 84 LEU CA C 84 54.560 54.560 53.858 0.702 19007 8727 1 16 . 1 1 84 84 LEU CB C 84 43.690 43.690 41.408 2.282 19007 8728 1 16 . 1 1 84 84 LEU H H 84 7.640 7.640 7.630 0.010 19007 8729 1 16 . 1 1 85 85 PHE N N 85 117.610 117.610 120.864 -3.254 19007 8730 1 16 . 1 1 85 85 PHE HA H 85 4.754 4.754 4.479 0.275 19007 8731 1 16 . 1 1 85 85 PHE C C 85 173.204 173.204 174.738 -1.534 19007 8732 1 16 . 1 1 85 85 PHE CA C 85 56.400 56.400 57.702 -1.302 19007 8733 1 16 . 1 1 85 85 PHE CB C 85 42.000 42.000 37.108 4.892 19007 8734 1 16 . 1 1 85 85 PHE H H 85 8.280 8.280 8.190 0.090 19007 8735 1 16 . 1 1 86 86 VAL N N 86 123.600 123.600 122.437 1.163 19007 8736 1 16 . 1 1 86 86 VAL HA H 86 3.882 3.882 4.496 -0.614 19007 8737 1 16 . 1 1 86 86 VAL C C 86 174.651 174.651 175.304 -0.653 19007 8738 1 16 . 1 1 86 86 VAL CA C 86 63.640 63.640 60.742 2.897 19007 8739 1 16 . 1 1 86 86 VAL CB C 86 31.440 31.440 33.754 -2.314 19007 8740 1 16 . 1 1 86 86 VAL H H 86 8.880 8.880 8.205 0.675 19007 8741 1 16 . 1 1 87 87 HIS N N 87 130.690 130.690 127.193 3.497 19007 8742 1 16 . 1 1 87 87 HIS HA H 87 4.420 4.420 4.797 -0.377 19007 8743 1 16 . 1 1 87 87 HIS C C 87 175.497 175.497 173.831 1.666 19007 8744 1 16 . 1 1 87 87 HIS CA C 87 58.090 58.090 55.993 2.097 19007 8745 1 16 . 1 1 87 87 HIS CB C 87 32.870 32.870 31.856 1.014 19007 8746 1 16 . 1 1 87 87 HIS H H 87 9.320 9.320 9.236 0.084 19007 8747 1 16 . 1 1 88 88 SER N N 88 109.280 109.280 121.320 -12.040 19007 8748 1 16 . 1 1 88 88 SER HA H 88 4.503 4.503 5.277 -0.774 19007 8749 1 16 . 1 1 88 88 SER C C 88 172.248 172.248 173.505 -1.257 19007 8750 1 16 . 1 1 88 88 SER CA C 88 57.560 57.560 57.483 0.077 19007 8751 1 16 . 1 1 88 88 SER CB C 88 64.890 64.890 64.572 0.318 19007 8752 1 16 . 1 1 88 88 SER H H 88 7.370 7.370 8.582 -1.212 19007 8753 1 16 . 1 1 89 89 ILE N N 89 122.260 122.260 125.048 -2.788 19007 8754 1 16 . 1 1 89 89 ILE HA H 89 4.265 4.265 4.399 -0.134 19007 8755 1 16 . 1 1 89 89 ILE C C 89 174.569 174.569 172.801 1.768 19007 8756 1 16 . 1 1 89 89 ILE CA C 89 61.110 61.110 60.951 0.159 19007 8757 1 16 . 1 1 89 89 ILE CB C 89 39.960 39.960 40.985 -1.025 19007 8758 1 16 . 1 1 89 89 ILE H H 89 8.400 8.400 9.140 -0.740 19007 8759 1 16 . 1 1 90 90 ASP N N 90 126.690 126.690 126.334 0.356 19007 8760 1 16 . 1 1 90 90 ASP HA H 90 5.064 5.064 5.397 -0.333 19007 8761 1 16 . 1 1 90 90 ASP C C 90 174.469 174.469 176.113 -1.644 19007 8762 1 16 . 1 1 90 90 ASP CA C 90 53.600 53.600 52.026 1.574 19007 8763 1 16 . 1 1 90 90 ASP CB C 90 44.230 44.230 43.752 0.478 19007 8764 1 16 . 1 1 90 90 ASP H H 90 8.800 8.800 8.357 0.443 19007 8765 1 16 . 1 1 91 91 SER N N 91 116.760 116.760 117.784 -1.024 19007 8766 1 16 . 1 1 91 91 SER HA H 91 4.781 4.781 4.459 0.322 19007 8767 1 16 . 1 1 91 91 SER C C 91 173.164 173.164 174.327 -1.163 19007 8768 1 16 . 1 1 91 91 SER CA C 91 57.430 57.430 58.432 -1.002 19007 8769 1 16 . 1 1 91 91 SER CB C 91 65.250 65.250 61.503 3.747 19007 8770 1 16 . 1 1 91 91 SER H H 91 8.500 8.500 8.371 0.129 19007 8771 1 16 . 1 1 92 92 GLU N N 92 123.420 123.420 124.330 -0.910 19007 8772 1 16 . 1 1 92 92 GLU HA H 92 4.355 4.355 4.782 -0.427 19007 8773 1 16 . 1 1 92 92 GLU C C 92 176.419 176.419 176.133 0.286 19007 8774 1 16 . 1 1 92 92 GLU CA C 92 56.250 56.250 55.594 0.656 19007 8775 1 16 . 1 1 92 92 GLU CB C 92 30.730 30.730 30.608 0.122 19007 8776 1 16 . 1 1 92 92 GLU H H 92 8.620 8.620 8.118 0.502 19007 8777 1 16 . 1 1 93 93 VAL N N 93 122.090 122.090 122.689 -0.599 19007 8778 1 16 . 1 1 93 93 VAL HA H 93 4.105 4.105 4.113 -0.008 19007 8779 1 16 . 1 1 93 93 VAL CA C 93 62.240 62.240 62.662 -0.422 19007 8780 1 16 . 1 1 93 93 VAL CB C 93 32.860 32.860 32.710 0.150 19007 8781 1 16 . 1 1 93 93 VAL H H 93 8.220 8.220 8.950 -0.730 19007 8782 1 16 . 1 1 96 96 LYS HA H 96 4.079 4.079 4.395 -0.316 19007 8783 1 16 . 1 1 96 96 LYS C C 96 176.053 176.053 174.770 1.283 19007 8784 1 16 . 1 1 96 96 LYS CA C 96 62.497 62.497 55.959 6.537 19007 8785 1 16 . 1 1 96 96 LYS CB C 96 32.776 32.776 34.239 -1.463 19007 8786 1 16 . 1 1 97 97 LYS N N 97 126.170 126.170 125.133 1.037 19007 8787 1 16 . 1 1 97 97 LYS HA H 97 4.300 4.300 4.453 -0.153 19007 8788 1 16 . 1 1 97 97 LYS C C 97 176.665 176.665 175.510 1.155 19007 8789 1 16 . 1 1 97 97 LYS CA C 97 56.730 56.730 56.366 0.364 19007 8790 1 16 . 1 1 97 97 LYS CB C 97 33.020 33.020 34.276 -1.256 19007 8791 1 16 . 1 1 97 97 LYS H H 97 8.500 8.500 8.582 -0.082 19007 8792 1 16 . 1 1 98 98 GLU N N 98 122.020 122.020 126.369 -4.349 19007 8793 1 16 . 1 1 98 98 GLU HA H 98 4.226 4.226 4.459 -0.233 19007 8794 1 16 . 1 1 98 98 GLU C C 98 176.382 176.382 175.547 0.835 19007 8795 1 16 . 1 1 98 98 GLU CA C 98 56.890 56.890 56.016 0.875 19007 8796 1 16 . 1 1 98 98 GLU CB C 98 30.410 30.410 29.067 1.343 19007 8797 1 16 . 1 1 98 98 GLU H H 98 8.470 8.470 8.801 -0.331 19007 8798 1 16 . 1 1 99 99 ALA N N 99 124.770 124.770 127.869 -3.099 19007 8799 1 16 . 1 1 99 99 ALA HA H 99 4.281 4.281 4.502 -0.221 19007 8800 1 16 . 1 1 99 99 ALA C C 99 177.723 177.723 176.565 1.158 19007 8801 1 16 . 1 1 99 99 ALA CA C 99 52.880 52.880 51.356 1.524 19007 8802 1 16 . 1 1 99 99 ALA CB C 99 19.320 19.320 19.212 0.108 19007 8803 1 16 . 1 1 99 99 ALA H H 99 8.310 8.310 8.416 -0.106 19007 8804 1 16 . 1 1 100 100 GLN N N 100 119.190 119.190 124.061 -4.871 19007 8805 1 16 . 1 1 100 100 GLN HA H 100 4.266 4.266 4.248 0.018 19007 8806 1 16 . 1 1 100 100 GLN CA C 100 56.000 56.000 55.583 0.417 19007 8807 1 16 . 1 1 100 100 GLN CB C 100 29.970 29.970 29.556 0.414 19007 8808 1 16 . 1 1 100 100 GLN H H 100 8.280 8.280 8.518 -0.238 19007 8809 1 16 . 1 1 101 101 GLN N N 101 120.421 120.421 126.041 -5.620 19007 8810 1 16 . 1 1 101 101 GLN HA H 101 4.650 4.650 4.192 0.458 19007 8811 1 16 . 1 1 101 101 GLN C C 101 175.725 175.725 174.821 0.904 19007 8812 1 16 . 1 1 101 101 GLN CA C 101 56.073 56.073 56.241 -0.168 19007 8813 1 16 . 1 1 101 101 GLN CB C 101 29.524 29.524 28.693 0.831 19007 8814 1 16 . 1 1 101 101 GLN H H 101 8.114 8.114 8.538 -0.424 19007 8815 1 16 . 1 1 102 102 ILE N N 102 122.940 122.940 125.415 -2.475 19007 8816 1 16 . 1 1 102 102 ILE HA H 102 4.119 4.119 4.335 -0.215 19007 8817 1 16 . 1 1 102 102 ILE C C 102 175.916 175.916 174.602 1.314 19007 8818 1 16 . 1 1 102 102 ILE CA C 102 61.260 61.260 61.181 0.079 19007 8819 1 16 . 1 1 102 102 ILE CB C 102 38.790 38.790 40.373 -1.583 19007 8820 1 16 . 1 1 102 102 ILE H H 102 8.240 8.240 8.196 0.044 19007 8821 1 16 . 1 1 103 103 ARG N N 103 125.780 125.780 126.945 -1.165 19007 8822 1 16 . 1 1 103 103 ARG HA H 103 4.369 4.369 4.704 -0.335 19007 8823 1 16 . 1 1 103 103 ARG C C 103 175.752 175.752 175.784 -0.032 19007 8824 1 16 . 1 1 103 103 ARG CA C 103 55.940 55.940 55.324 0.616 19007 8825 1 16 . 1 1 103 103 ARG CB C 103 31.340 31.340 31.398 -0.058 19007 8826 1 16 . 1 1 103 103 ARG H H 103 8.400 8.400 8.504 -0.104 19007 8827 1 16 . 1 1 104 104 GLU N N 104 123.840 123.840 120.233 3.607 19007 8828 1 16 . 1 1 104 104 GLU HA H 104 4.296 4.296 4.454 -0.158 19007 8829 1 16 . 1 1 104 104 GLU C C 104 175.314 175.314 176.134 -0.820 19007 8830 1 16 . 1 1 104 104 GLU CA C 104 56.430 56.430 56.711 -0.281 19007 8831 1 16 . 1 1 104 104 GLU CB C 104 30.560 30.560 30.072 0.488 19007 8832 1 16 . 1 1 104 104 GLU H H 104 8.510 8.510 8.721 -0.211 19007 8833 1 17 . 1 1 6 6 THR HA H 6 4.321 4.321 4.458 -0.137 19007 8834 1 17 . 1 1 6 6 THR C C 6 174.339 174.339 173.958 0.381 19007 8835 1 17 . 1 1 6 6 THR CA C 6 62.139 62.139 61.261 0.878 19007 8836 1 17 . 1 1 6 6 THR CB C 6 69.788 69.788 69.461 0.327 19007 8837 1 17 . 1 1 7 7 LYS N N 7 124.350 124.350 120.417 3.933 19007 8838 1 17 . 1 1 7 7 LYS HA H 7 4.265 4.265 4.106 0.159 19007 8839 1 17 . 1 1 7 7 LYS C C 7 176.341 176.341 176.009 0.332 19007 8840 1 17 . 1 1 7 7 LYS CA C 7 56.980 56.980 56.814 0.166 19007 8841 1 17 . 1 1 7 7 LYS CB C 7 33.110 33.110 32.892 0.218 19007 8842 1 17 . 1 1 7 7 LYS H H 7 8.320 8.320 8.238 0.082 19007 8843 1 17 . 1 1 8 8 LYS N N 8 123.170 123.170 121.033 2.137 19007 8844 1 17 . 1 1 8 8 LYS HA H 8 4.253 4.253 4.455 -0.202 19007 8845 1 17 . 1 1 8 8 LYS C C 8 176.083 176.083 175.728 0.355 19007 8846 1 17 . 1 1 8 8 LYS CA C 8 56.450 56.450 55.533 0.917 19007 8847 1 17 . 1 1 8 8 LYS CB C 8 33.480 33.480 34.150 -0.670 19007 8848 1 17 . 1 1 8 8 LYS H H 8 8.340 8.340 8.202 0.138 19007 8849 1 17 . 1 1 9 9 GLN N N 9 123.010 123.010 119.341 3.669 19007 8850 1 17 . 1 1 9 9 GLN HA H 9 4.289 4.289 4.542 -0.253 19007 8851 1 17 . 1 1 9 9 GLN C C 9 174.914 174.914 175.857 -0.943 19007 8852 1 17 . 1 1 9 9 GLN CA C 9 56.520 56.520 56.941 -0.421 19007 8853 1 17 . 1 1 9 9 GLN CB C 9 30.790 30.790 29.147 1.643 19007 8854 1 17 . 1 1 9 9 GLN H H 9 8.440 8.440 8.612 -0.172 19007 8855 1 17 . 1 1 10 10 GLN N N 10 121.180 121.180 121.192 -0.012 19007 8856 1 17 . 1 1 10 10 GLN HA H 10 4.769 4.769 4.732 0.037 19007 8857 1 17 . 1 1 10 10 GLN C C 10 175.865 175.865 175.532 0.333 19007 8858 1 17 . 1 1 10 10 GLN CA C 10 55.580 55.580 55.434 0.145 19007 8859 1 17 . 1 1 10 10 GLN CB C 10 29.630 29.630 29.319 0.311 19007 8860 1 17 . 1 1 10 10 GLN H H 10 8.170 8.170 8.150 0.020 19007 8861 1 17 . 1 1 11 11 TYR N N 11 120.110 120.110 121.055 -0.945 19007 8862 1 17 . 1 1 11 11 TYR HA H 11 4.769 4.769 4.763 0.006 19007 8863 1 17 . 1 1 11 11 TYR C C 11 174.319 174.319 172.276 2.043 19007 8864 1 17 . 1 1 11 11 TYR CA C 11 58.490 58.490 56.897 1.593 19007 8865 1 17 . 1 1 11 11 TYR CB C 11 39.350 39.350 39.618 -0.268 19007 8866 1 17 . 1 1 11 11 TYR H H 11 8.470 8.470 8.064 0.406 19007 8867 1 17 . 1 1 12 12 VAL N N 12 117.030 117.030 119.744 -2.714 19007 8868 1 17 . 1 1 12 12 VAL HA H 12 4.793 4.793 4.908 -0.115 19007 8869 1 17 . 1 1 12 12 VAL C C 12 174.636 174.636 174.513 0.123 19007 8870 1 17 . 1 1 12 12 VAL CA C 12 60.730 60.730 61.121 -0.391 19007 8871 1 17 . 1 1 12 12 VAL CB C 12 34.790 34.790 35.291 -0.501 19007 8872 1 17 . 1 1 12 12 VAL H H 12 7.590 7.590 8.252 -0.662 19007 8873 1 17 . 1 1 13 13 THR N N 13 121.770 121.770 120.208 1.562 19007 8874 1 17 . 1 1 13 13 THR HA H 13 4.615 4.615 4.719 -0.104 19007 8875 1 17 . 1 1 13 13 THR C C 13 173.030 173.030 172.518 0.512 19007 8876 1 17 . 1 1 13 13 THR CA C 13 61.540 61.540 61.252 0.288 19007 8877 1 17 . 1 1 13 13 THR CB C 13 71.050 71.050 71.565 -0.515 19007 8878 1 17 . 1 1 13 13 THR H H 13 8.620 8.620 8.386 0.234 19007 8879 1 17 . 1 1 14 14 ILE N N 14 126.190 126.190 127.063 -0.873 19007 8880 1 17 . 1 1 14 14 ILE HA H 14 4.781 4.781 4.301 0.480 19007 8881 1 17 . 1 1 14 14 ILE C C 14 175.112 175.112 174.371 0.741 19007 8882 1 17 . 1 1 14 14 ILE CA C 14 61.120 61.120 60.721 0.398 19007 8883 1 17 . 1 1 14 14 ILE CB C 14 40.340 40.340 39.951 0.389 19007 8884 1 17 . 1 1 14 14 ILE H H 14 8.890 8.890 8.570 0.320 19007 8885 1 17 . 1 1 15 15 LYS N N 15 127.020 127.020 129.311 -2.291 19007 8886 1 17 . 1 1 15 15 LYS HA H 15 4.734 4.734 4.619 0.115 19007 8887 1 17 . 1 1 15 15 LYS C C 15 175.409 175.409 175.236 0.173 19007 8888 1 17 . 1 1 15 15 LYS CA C 15 54.740 54.740 54.861 -0.121 19007 8889 1 17 . 1 1 15 15 LYS CB C 15 35.430 35.430 32.738 2.692 19007 8890 1 17 . 1 1 15 15 LYS H H 15 8.850 8.850 8.793 0.057 19007 8891 1 17 . 1 1 16 16 GLY N N 16 112.120 112.120 112.895 -0.775 19007 8892 1 17 . 1 1 16 16 GLY C C 16 172.566 172.566 173.214 -0.648 19007 8893 1 17 . 1 1 16 16 GLY CA C 16 45.560 45.560 45.285 0.275 19007 8894 1 17 . 1 1 16 16 GLY H H 16 8.870 8.870 8.236 0.634 19007 8895 1 17 . 1 1 17 17 THR N N 17 114.520 114.520 115.692 -1.172 19007 8896 1 17 . 1 1 17 17 THR HA H 17 4.753 4.753 4.466 0.287 19007 8897 1 17 . 1 1 17 17 THR CA C 17 60.360 60.360 61.893 -1.533 19007 8898 1 17 . 1 1 17 17 THR CB C 17 72.040 72.040 69.802 2.238 19007 8899 1 17 . 1 1 17 17 THR H H 17 8.380 8.380 7.681 0.699 19007 8900 1 17 . 1 1 19 19 ASN HA H 19 4.778 4.778 4.811 -0.033 19007 8901 1 17 . 1 1 19 19 ASN C C 19 174.616 174.616 174.688 -0.072 19007 8902 1 17 . 1 1 19 19 ASN CA C 19 53.700 53.700 52.444 1.256 19007 8903 1 17 . 1 1 19 19 ASN CB C 19 39.018 39.018 41.148 -2.130 19007 8904 1 17 . 1 1 20 20 GLY N N 20 108.600 108.600 107.858 0.742 19007 8905 1 17 . 1 1 20 20 GLY C C 20 172.297 172.297 172.928 -0.631 19007 8906 1 17 . 1 1 20 20 GLY CA C 20 46.310 46.310 45.253 1.057 19007 8907 1 17 . 1 1 20 20 GLY H H 20 7.590 7.590 8.437 -0.847 19007 8908 1 17 . 1 1 21 21 LEU N N 21 123.210 123.210 121.396 1.814 19007 8909 1 17 . 1 1 21 21 LEU HA H 21 5.015 5.015 4.911 0.104 19007 8910 1 17 . 1 1 21 21 LEU C C 21 176.202 176.202 175.066 1.136 19007 8911 1 17 . 1 1 21 21 LEU CA C 21 54.090 54.090 55.103 -1.013 19007 8912 1 17 . 1 1 21 21 LEU CB C 21 45.940 45.940 44.126 1.814 19007 8913 1 17 . 1 1 21 21 LEU H H 21 8.760 8.760 8.199 0.561 19007 8914 1 17 . 1 1 22 22 THR N N 22 120.430 120.430 124.288 -3.858 19007 8915 1 17 . 1 1 22 22 THR HA H 22 5.191 5.191 4.904 0.287 19007 8916 1 17 . 1 1 22 22 THR C C 22 172.852 172.852 173.520 -0.668 19007 8917 1 17 . 1 1 22 22 THR CA C 22 61.850 61.850 61.834 0.016 19007 8918 1 17 . 1 1 22 22 THR CB C 22 69.800 69.800 68.460 1.340 19007 8919 1 17 . 1 1 22 22 THR H H 22 9.150 9.150 8.923 0.227 19007 8920 1 17 . 1 1 23 23 LEU N N 23 127.110 127.110 122.888 4.222 19007 8921 1 17 . 1 1 23 23 LEU HA H 23 4.910 4.910 5.360 -0.450 19007 8922 1 17 . 1 1 23 23 LEU C C 23 174.200 174.200 174.199 0.001 19007 8923 1 17 . 1 1 23 23 LEU CA C 23 52.770 52.770 53.090 -0.320 19007 8924 1 17 . 1 1 23 23 LEU CB C 23 44.220 44.220 45.986 -1.766 19007 8925 1 17 . 1 1 23 23 LEU H H 23 8.870 8.870 7.987 0.883 19007 8926 1 17 . 1 1 24 24 HIS N N 24 124.600 124.600 120.415 4.185 19007 8927 1 17 . 1 1 24 24 HIS HA H 24 4.875 4.875 5.710 -0.835 19007 8928 1 17 . 1 1 24 24 HIS C C 24 174.033 174.033 172.762 1.271 19007 8929 1 17 . 1 1 24 24 HIS CA C 24 56.000 56.000 54.956 1.044 19007 8930 1 17 . 1 1 24 24 HIS CB C 24 30.400 30.400 33.929 -3.529 19007 8931 1 17 . 1 1 24 24 HIS H H 24 9.160 9.160 8.859 0.301 19007 8932 1 17 . 1 1 25 25 LEU N N 25 125.950 125.950 127.186 -1.236 19007 8933 1 17 . 1 1 25 25 LEU HA H 25 4.382 4.382 4.499 -0.117 19007 8934 1 17 . 1 1 25 25 LEU C C 25 175.806 175.806 173.944 1.862 19007 8935 1 17 . 1 1 25 25 LEU CA C 25 53.250 53.250 53.609 -0.359 19007 8936 1 17 . 1 1 25 25 LEU CB C 25 41.030 41.030 45.795 -4.765 19007 8937 1 17 . 1 1 25 25 LEU H H 25 8.420 8.420 8.076 0.344 19007 8938 1 17 . 1 1 26 26 ASP N N 26 126.170 126.170 126.113 0.057 19007 8939 1 17 . 1 1 26 26 ASP HA H 26 4.344 4.344 5.121 -0.777 19007 8940 1 17 . 1 1 26 26 ASP C C 26 176.302 176.302 174.123 2.179 19007 8941 1 17 . 1 1 26 26 ASP CA C 26 56.480 56.480 53.264 3.216 19007 8942 1 17 . 1 1 26 26 ASP CB C 26 43.880 43.880 41.553 2.327 19007 8943 1 17 . 1 1 26 26 ASP H H 26 8.630 8.630 8.196 0.434 19007 8944 1 17 . 1 1 27 27 ASP N N 27 122.430 122.430 122.718 -0.288 19007 8945 1 17 . 1 1 27 27 ASP HA H 27 4.540 4.540 4.812 -0.272 19007 8946 1 17 . 1 1 27 27 ASP C C 27 176.381 176.381 173.733 2.648 19007 8947 1 17 . 1 1 27 27 ASP CA C 27 54.060 54.060 53.946 0.114 19007 8948 1 17 . 1 1 27 27 ASP CB C 27 40.820 40.820 44.927 -4.107 19007 8949 1 17 . 1 1 27 27 ASP H H 27 8.150 8.150 7.680 0.470 19007 8950 1 17 . 1 1 28 28 ALA N N 28 123.520 123.520 125.567 -2.047 19007 8951 1 17 . 1 1 28 28 ALA HA H 28 4.600 4.600 4.573 0.027 19007 8952 1 17 . 1 1 28 28 ALA C C 28 178.324 178.324 177.128 1.196 19007 8953 1 17 . 1 1 28 28 ALA CA C 28 52.860 52.860 51.474 1.385 19007 8954 1 17 . 1 1 28 28 ALA CB C 28 20.790 20.790 21.052 -0.262 19007 8955 1 17 . 1 1 28 28 ALA H H 28 8.480 8.480 8.254 0.226 19007 8956 1 17 . 1 1 29 29 CYS N N 29 115.580 115.580 114.587 0.993 19007 8957 1 17 . 1 1 29 29 CYS HA H 29 4.680 4.680 4.058 0.622 19007 8958 1 17 . 1 1 29 29 CYS C C 29 174.696 174.696 173.587 1.109 19007 8959 1 17 . 1 1 29 29 CYS CA C 29 56.060 56.060 59.751 -3.691 19007 8960 1 17 . 1 1 29 29 CYS CB C 29 29.050 29.050 26.825 2.225 19007 8961 1 17 . 1 1 29 29 CYS H H 29 7.510 7.510 8.921 -1.411 19007 8962 1 17 . 1 1 30 30 SER N N 30 119.090 119.090 113.315 5.775 19007 8963 1 17 . 1 1 30 30 SER HA H 30 4.500 4.500 4.614 -0.115 19007 8964 1 17 . 1 1 30 30 SER CA C 30 58.370 58.370 57.480 0.889 19007 8965 1 17 . 1 1 30 30 SER CB C 30 64.170 64.170 64.835 -0.666 19007 8966 1 17 . 1 1 30 30 SER H H 30 9.170 9.170 7.438 1.732 19007 8967 1 17 . 1 1 31 31 PHE HA H 31 4.041 4.041 4.553 -0.512 19007 8968 1 17 . 1 1 31 31 PHE C C 31 176.440 176.440 176.306 0.134 19007 8969 1 17 . 1 1 31 31 PHE CA C 31 62.491 62.491 57.787 4.704 19007 8970 1 17 . 1 1 31 31 PHE CB C 31 39.018 39.018 40.581 -1.563 19007 8971 1 17 . 1 1 32 32 ASP N N 32 116.020 116.020 126.742 -10.722 19007 8972 1 17 . 1 1 32 32 ASP HA H 32 4.139 4.139 4.637 -0.498 19007 8973 1 17 . 1 1 32 32 ASP C C 32 178.978 178.978 176.415 2.563 19007 8974 1 17 . 1 1 32 32 ASP CA C 32 57.670 57.670 53.067 4.603 19007 8975 1 17 . 1 1 32 32 ASP CB C 32 40.290 40.290 38.594 1.696 19007 8976 1 17 . 1 1 32 32 ASP H H 32 8.370 8.370 8.427 -0.057 19007 8977 1 17 . 1 1 33 33 GLU N N 33 120.170 120.170 119.175 0.995 19007 8978 1 17 . 1 1 33 33 GLU HA H 33 4.149 4.149 4.457 -0.308 19007 8979 1 17 . 1 1 33 33 GLU C C 33 179.256 179.256 177.702 1.554 19007 8980 1 17 . 1 1 33 33 GLU CA C 33 58.810 58.810 58.736 0.074 19007 8981 1 17 . 1 1 33 33 GLU CB C 33 29.510 29.510 29.540 -0.030 19007 8982 1 17 . 1 1 33 33 GLU H H 33 7.560 7.560 8.172 -0.612 19007 8983 1 17 . 1 1 34 34 LEU N N 34 121.930 121.930 117.866 4.064 19007 8984 1 17 . 1 1 34 34 LEU HA H 34 3.755 3.755 4.402 -0.647 19007 8985 1 17 . 1 1 34 34 LEU C C 34 178.205 178.205 177.582 0.623 19007 8986 1 17 . 1 1 34 34 LEU CA C 34 57.910 57.910 55.225 2.685 19007 8987 1 17 . 1 1 34 34 LEU CB C 34 41.980 41.980 41.944 0.036 19007 8988 1 17 . 1 1 34 34 LEU H H 34 7.730 7.730 8.024 -0.294 19007 8989 1 17 . 1 1 35 35 LEU N N 35 118.190 118.190 121.284 -3.094 19007 8990 1 17 . 1 1 35 35 LEU HA H 35 3.575 3.575 4.364 -0.789 19007 8991 1 17 . 1 1 35 35 LEU C C 35 179.295 179.295 177.714 1.581 19007 8992 1 17 . 1 1 35 35 LEU CA C 35 57.990 57.990 57.405 0.585 19007 8993 1 17 . 1 1 35 35 LEU CB C 35 40.900 40.900 43.658 -2.758 19007 8994 1 17 . 1 1 35 35 LEU H H 35 7.880 7.880 7.988 -0.108 19007 8995 1 17 . 1 1 36 36 ASP N N 36 118.760 118.760 119.814 -1.054 19007 8996 1 17 . 1 1 36 36 ASP HA H 36 4.308 4.308 4.315 -0.007 19007 8997 1 17 . 1 1 36 36 ASP C C 36 178.819 178.819 178.293 0.526 19007 8998 1 17 . 1 1 36 36 ASP CA C 36 57.570 57.570 57.770 -0.200 19007 8999 1 17 . 1 1 36 36 ASP CB C 36 41.500 41.500 40.170 1.330 19007 9000 1 17 . 1 1 36 36 ASP H H 36 7.580 7.580 8.537 -0.957 19007 9001 1 17 . 1 1 37 37 GLY N N 37 107.520 107.520 108.355 -0.835 19007 9002 1 17 . 1 1 37 37 GLY C C 37 176.678 176.678 176.516 0.162 19007 9003 1 17 . 1 1 37 37 GLY CA C 37 47.340 47.340 47.145 0.195 19007 9004 1 17 . 1 1 37 37 GLY H H 37 8.210 8.210 7.779 0.431 19007 9005 1 17 . 1 1 38 38 LEU N N 38 123.680 123.680 122.887 0.793 19007 9006 1 17 . 1 1 38 38 LEU HA H 38 4.007 4.007 4.136 -0.129 19007 9007 1 17 . 1 1 38 38 LEU C C 38 177.769 177.769 178.776 -1.007 19007 9008 1 17 . 1 1 38 38 LEU CA C 38 57.970 57.970 57.123 0.847 19007 9009 1 17 . 1 1 38 38 LEU CB C 38 42.250 42.250 40.945 1.305 19007 9010 1 17 . 1 1 38 38 LEU H H 38 8.800 8.800 7.640 1.160 19007 9011 1 17 . 1 1 39 39 GLN N N 39 118.840 118.840 120.033 -1.193 19007 9012 1 17 . 1 1 39 39 GLN HA H 39 3.887 3.887 3.856 0.031 19007 9013 1 17 . 1 1 39 39 GLN C C 39 178.443 178.443 178.249 0.194 19007 9014 1 17 . 1 1 39 39 GLN CA C 39 59.450 59.450 59.693 -0.242 19007 9015 1 17 . 1 1 39 39 GLN CB C 39 28.400 28.400 28.474 -0.074 19007 9016 1 17 . 1 1 39 39 GLN H H 39 8.460 8.460 8.677 -0.217 19007 9017 1 17 . 1 1 40 40 ASN N N 40 116.110 116.110 118.356 -2.246 19007 9018 1 17 . 1 1 40 40 ASN HA H 40 4.488 4.488 4.483 0.005 19007 9019 1 17 . 1 1 40 40 ASN C C 40 177.491 177.491 178.047 -0.556 19007 9020 1 17 . 1 1 40 40 ASN CA C 40 56.330 56.330 56.047 0.284 19007 9021 1 17 . 1 1 40 40 ASN CB C 40 39.230 39.230 38.741 0.489 19007 9022 1 17 . 1 1 40 40 ASN H H 40 7.810 7.810 8.231 -0.421 19007 9023 1 17 . 1 1 41 41 MET N N 41 119.840 119.840 120.335 -0.495 19007 9024 1 17 . 1 1 41 41 MET HA H 41 4.344 4.344 4.170 0.174 19007 9025 1 17 . 1 1 41 41 MET C C 41 177.551 177.551 178.398 -0.847 19007 9026 1 17 . 1 1 41 41 MET CA C 41 58.140 58.140 58.156 -0.016 19007 9027 1 17 . 1 1 41 41 MET CB C 41 32.600 32.600 32.256 0.344 19007 9028 1 17 . 1 1 41 41 MET H H 41 8.060 8.060 8.122 -0.062 19007 9029 1 17 . 1 1 42 42 LEU N N 42 116.680 116.680 118.024 -1.344 19007 9030 1 17 . 1 1 42 42 LEU HA H 42 4.236 4.236 3.983 0.253 19007 9031 1 17 . 1 1 42 42 LEU C C 42 177.055 177.055 179.171 -2.116 19007 9032 1 17 . 1 1 42 42 LEU CA C 42 55.850 55.850 57.806 -1.956 19007 9033 1 17 . 1 1 42 42 LEU CB C 42 41.490 41.490 41.493 -0.003 19007 9034 1 17 . 1 1 42 42 LEU H H 42 8.280 8.280 8.512 -0.232 19007 9035 1 17 . 1 1 43 43 SER N N 43 113.420 113.420 112.750 0.670 19007 9036 1 17 . 1 1 43 43 SER HA H 43 4.452 4.452 4.127 0.325 19007 9037 1 17 . 1 1 43 43 SER C C 43 174.755 174.755 175.074 -0.319 19007 9038 1 17 . 1 1 43 43 SER CA C 43 59.340 59.340 61.108 -1.768 19007 9039 1 17 . 1 1 43 43 SER CB C 43 63.580 63.580 62.999 0.581 19007 9040 1 17 . 1 1 43 43 SER H H 43 7.650 7.650 7.759 -0.109 19007 9041 1 17 . 1 1 44 44 ILE N N 44 120.390 120.390 118.752 1.638 19007 9042 1 17 . 1 1 44 44 ILE HA H 44 4.188 4.188 4.067 0.121 19007 9043 1 17 . 1 1 44 44 ILE C C 44 176.440 176.440 176.279 0.161 19007 9044 1 17 . 1 1 44 44 ILE CA C 44 61.500 61.500 62.406 -0.906 19007 9045 1 17 . 1 1 44 44 ILE CB C 44 38.640 38.640 38.739 -0.099 19007 9046 1 17 . 1 1 44 44 ILE H H 44 7.590 7.590 7.311 0.279 19007 9047 1 17 . 1 1 45 45 GLU N N 45 118.850 118.850 119.763 -0.913 19007 9048 1 17 . 1 1 45 45 GLU HA H 45 4.272 4.272 4.208 0.064 19007 9049 1 17 . 1 1 45 45 GLU C C 45 176.698 176.698 176.867 -0.169 19007 9050 1 17 . 1 1 45 45 GLU CA C 45 61.950 61.950 58.218 3.732 19007 9051 1 17 . 1 1 45 45 GLU CB C 45 29.840 29.840 30.941 -1.101 19007 9052 1 17 . 1 1 45 45 GLU H H 45 8.200 8.200 8.106 0.094 19007 9053 1 17 . 1 1 46 46 GLN N N 46 118.260 118.260 118.448 -0.188 19007 9054 1 17 . 1 1 46 46 GLN HA H 46 4.212 4.212 4.524 -0.312 19007 9055 1 17 . 1 1 46 46 GLN C C 46 176.361 176.361 174.052 2.309 19007 9056 1 17 . 1 1 46 46 GLN CA C 46 56.770 56.770 55.624 1.146 19007 9057 1 17 . 1 1 46 46 GLN CB C 46 28.920 28.920 30.001 -1.081 19007 9058 1 17 . 1 1 46 46 GLN H H 46 8.270 8.270 7.832 0.438 19007 9059 1 17 . 1 1 47 47 TYR N N 47 117.690 117.690 119.624 -1.934 19007 9060 1 17 . 1 1 47 47 TYR HA H 47 4.701 4.701 4.928 -0.227 19007 9061 1 17 . 1 1 47 47 TYR C C 47 175.588 175.588 174.527 1.061 19007 9062 1 17 . 1 1 47 47 TYR CA C 47 58.290 58.290 56.684 1.606 19007 9063 1 17 . 1 1 47 47 TYR CB C 47 39.250 39.250 39.000 0.250 19007 9064 1 17 . 1 1 47 47 TYR H H 47 7.980 7.980 8.276 -0.296 19007 9065 1 17 . 1 1 48 48 THR N N 48 108.930 108.930 118.255 -9.325 19007 9066 1 17 . 1 1 48 48 THR HA H 48 4.464 4.464 4.229 0.235 19007 9067 1 17 . 1 1 48 48 THR C C 48 176.381 176.381 174.768 1.613 19007 9068 1 17 . 1 1 48 48 THR CA C 48 61.150 61.150 61.550 -0.400 19007 9069 1 17 . 1 1 48 48 THR CB C 48 70.190 70.190 68.292 1.898 19007 9070 1 17 . 1 1 48 48 THR H H 48 7.570 7.570 7.505 0.065 19007 9071 1 17 . 1 1 49 49 ASP N N 49 121.350 121.350 126.314 -4.964 19007 9072 1 17 . 1 1 49 49 ASP HA H 49 4.752 4.752 4.499 0.253 19007 9073 1 17 . 1 1 49 49 ASP C C 49 177.015 177.015 177.010 0.005 19007 9074 1 17 . 1 1 49 49 ASP CA C 49 53.710 53.710 55.415 -1.705 19007 9075 1 17 . 1 1 49 49 ASP CB C 49 41.200 41.200 41.491 -0.291 19007 9076 1 17 . 1 1 49 49 ASP H H 49 8.100 8.100 8.160 -0.060 19007 9077 1 17 . 1 1 50 50 GLY N N 50 112.360 112.360 107.126 5.234 19007 9078 1 17 . 1 1 50 50 GLY C C 50 175.449 175.449 174.145 1.304 19007 9079 1 17 . 1 1 50 50 GLY CA C 50 46.000 46.000 45.157 0.843 19007 9080 1 17 . 1 1 50 50 GLY H H 50 9.080 9.080 8.746 0.334 19007 9081 1 17 . 1 1 51 51 LYS N N 51 119.510 119.510 119.776 -0.266 19007 9082 1 17 . 1 1 51 51 LYS HA H 51 4.200 4.200 4.539 -0.339 19007 9083 1 17 . 1 1 51 51 LYS C C 51 177.214 177.214 175.667 1.547 19007 9084 1 17 . 1 1 51 51 LYS CA C 51 56.540 56.540 55.414 1.126 19007 9085 1 17 . 1 1 51 51 LYS CB C 51 31.420 31.420 32.857 -1.437 19007 9086 1 17 . 1 1 51 51 LYS H H 51 8.590 8.590 7.970 0.620 19007 9087 1 17 . 1 1 52 52 GLY N N 52 108.180 108.180 109.875 -1.695 19007 9088 1 17 . 1 1 52 52 GLY C C 52 174.279 174.279 173.781 0.498 19007 9089 1 17 . 1 1 52 52 GLY CA C 52 45.450 45.450 45.170 0.280 19007 9090 1 17 . 1 1 52 52 GLY H H 52 8.670 8.670 7.804 0.866 19007 9091 1 17 . 1 1 53 53 GLN N N 53 120.010 120.010 118.017 1.993 19007 9092 1 17 . 1 1 53 53 GLN HA H 53 4.440 4.440 4.430 0.010 19007 9093 1 17 . 1 1 53 53 GLN C C 53 175.001 175.001 174.816 0.185 19007 9094 1 17 . 1 1 53 53 GLN CA C 53 54.580 54.580 54.777 -0.197 19007 9095 1 17 . 1 1 53 53 GLN CB C 53 30.330 30.330 29.980 0.350 19007 9096 1 17 . 1 1 53 53 GLN H H 53 7.860 7.860 8.058 -0.198 19007 9097 1 17 . 1 1 54 54 LYS N N 54 120.420 120.420 124.773 -4.353 19007 9098 1 17 . 1 1 54 54 LYS HA H 54 4.704 4.704 4.780 -0.076 19007 9099 1 17 . 1 1 54 54 LYS C C 54 176.753 176.753 175.558 1.195 19007 9100 1 17 . 1 1 54 54 LYS CA C 54 55.830 55.830 55.204 0.626 19007 9101 1 17 . 1 1 54 54 LYS CB C 54 33.850 33.850 33.709 0.141 19007 9102 1 17 . 1 1 54 54 LYS H H 54 8.250 8.250 8.795 -0.545 19007 9103 1 17 . 1 1 55 55 ILE N N 55 125.360 125.360 129.937 -4.577 19007 9104 1 17 . 1 1 55 55 ILE HA H 55 4.169 4.169 4.575 -0.406 19007 9105 1 17 . 1 1 55 55 ILE C C 55 174.405 174.405 175.051 -0.646 19007 9106 1 17 . 1 1 55 55 ILE CA C 55 60.350 60.350 60.030 0.320 19007 9107 1 17 . 1 1 55 55 ILE CB C 55 39.690 39.690 37.434 2.256 19007 9108 1 17 . 1 1 55 55 ILE H H 55 9.050 9.050 8.394 0.656 19007 9109 1 17 . 1 1 56 56 SER N N 56 121.850 121.850 121.159 0.691 19007 9110 1 17 . 1 1 56 56 SER HA H 56 4.480 4.480 4.974 -0.494 19007 9111 1 17 . 1 1 56 56 SER C C 56 174.105 174.105 174.004 0.101 19007 9112 1 17 . 1 1 56 56 SER CA C 56 57.410 57.410 56.822 0.589 19007 9113 1 17 . 1 1 56 56 SER CB C 56 64.080 64.080 63.036 1.044 19007 9114 1 17 . 1 1 56 56 SER H H 56 8.330 8.330 7.964 0.366 19007 9115 1 17 . 1 1 57 57 VAL N N 57 123.190 123.190 127.459 -4.269 19007 9116 1 17 . 1 1 57 57 VAL HA H 57 4.861 4.861 3.988 0.873 19007 9117 1 17 . 1 1 57 57 VAL C C 57 174.869 174.869 174.903 -0.034 19007 9118 1 17 . 1 1 57 57 VAL CA C 57 61.130 61.130 62.330 -1.200 19007 9119 1 17 . 1 1 57 57 VAL CB C 57 33.600 33.600 31.213 2.387 19007 9120 1 17 . 1 1 57 57 VAL H H 57 8.680 8.680 8.319 0.361 19007 9121 1 17 . 1 1 58 58 HIS N N 58 129.590 129.590 128.027 1.563 19007 9122 1 17 . 1 1 58 58 HIS HA H 58 5.076 5.076 4.979 0.097 19007 9123 1 17 . 1 1 58 58 HIS C C 58 174.351 174.351 174.848 -0.497 19007 9124 1 17 . 1 1 58 58 HIS CA C 58 54.420 54.420 54.055 0.365 19007 9125 1 17 . 1 1 58 58 HIS CB C 58 31.720 31.720 29.950 1.770 19007 9126 1 17 . 1 1 58 58 HIS H H 58 9.050 9.050 8.732 0.318 19007 9127 1 17 . 1 1 59 59 VAL N N 59 125.260 125.260 121.115 4.145 19007 9128 1 17 . 1 1 59 59 VAL HA H 59 4.408 4.408 4.462 -0.054 19007 9129 1 17 . 1 1 59 59 VAL C C 59 174.460 174.460 175.095 -0.635 19007 9130 1 17 . 1 1 59 59 VAL CA C 59 62.370 62.370 60.425 1.945 19007 9131 1 17 . 1 1 59 59 VAL CB C 59 32.760 32.760 29.747 3.013 19007 9132 1 17 . 1 1 59 59 VAL H H 59 8.800 8.800 8.136 0.664 19007 9133 1 17 . 1 1 60 60 LYS N N 60 128.520 128.520 127.710 0.810 19007 9134 1 17 . 1 1 60 60 LYS HA H 60 4.909 4.909 4.403 0.506 19007 9135 1 17 . 1 1 60 60 LYS C C 60 175.825 175.825 176.139 -0.314 19007 9136 1 17 . 1 1 60 60 LYS CA C 60 54.450 54.450 55.770 -1.320 19007 9137 1 17 . 1 1 60 60 LYS CB C 60 32.490 32.490 30.121 2.369 19007 9138 1 17 . 1 1 60 60 LYS H H 60 9.040 9.040 7.988 1.052 19007 9139 1 17 . 1 1 61 61 LEU N N 61 121.430 121.430 120.915 0.515 19007 9140 1 17 . 1 1 61 61 LEU HA H 61 4.527 4.527 4.324 0.203 19007 9141 1 17 . 1 1 61 61 LEU C C 61 178.910 178.910 178.325 0.585 19007 9142 1 17 . 1 1 61 61 LEU CA C 61 54.410 54.410 56.562 -2.152 19007 9143 1 17 . 1 1 61 61 LEU CB C 61 44.330 44.330 42.808 1.522 19007 9144 1 17 . 1 1 61 61 LEU H H 61 8.700 8.700 7.851 0.849 19007 9145 1 17 . 1 1 62 62 GLY N N 62 110.520 110.520 103.124 7.396 19007 9146 1 17 . 1 1 62 62 GLY C C 62 175.350 175.350 173.721 1.629 19007 9147 1 17 . 1 1 62 62 GLY CA C 62 46.710 46.710 45.002 1.708 19007 9148 1 17 . 1 1 62 62 GLY H H 62 9.060 9.060 8.267 0.793 19007 9149 1 17 . 1 1 63 63 ASN N N 63 127.090 127.090 121.653 5.437 19007 9150 1 17 . 1 1 63 63 ASN HA H 63 4.778 4.778 4.810 -0.032 19007 9151 1 17 . 1 1 63 63 ASN C C 63 174.214 174.214 176.184 -1.970 19007 9152 1 17 . 1 1 63 63 ASN CA C 63 52.910 52.910 52.334 0.576 19007 9153 1 17 . 1 1 63 63 ASN CB C 63 38.100 38.100 37.767 0.333 19007 9154 1 17 . 1 1 63 63 ASN H H 63 10.390 10.390 8.750 1.640 19007 9155 1 17 . 1 1 64 64 ARG N N 64 121.850 121.850 121.132 0.718 19007 9156 1 17 . 1 1 64 64 ARG HA H 64 4.265 4.265 4.256 0.009 19007 9157 1 17 . 1 1 64 64 ARG C C 64 174.214 174.214 176.785 -2.571 19007 9158 1 17 . 1 1 64 64 ARG CA C 64 56.330 56.330 56.547 -0.217 19007 9159 1 17 . 1 1 64 64 ARG CB C 64 33.860 33.860 30.401 3.459 19007 9160 1 17 . 1 1 64 64 ARG H H 64 7.520 7.520 7.923 -0.403 19007 9161 1 17 . 1 1 65 65 PHE N N 65 127.760 127.760 117.961 9.799 19007 9162 1 17 . 1 1 65 65 PHE HA H 65 4.503 4.503 4.182 0.321 19007 9163 1 17 . 1 1 65 65 PHE C C 65 176.508 176.508 174.600 1.908 19007 9164 1 17 . 1 1 65 65 PHE CA C 65 56.760 56.760 58.017 -1.257 19007 9165 1 17 . 1 1 65 65 PHE CB C 65 40.430 40.430 37.565 2.865 19007 9166 1 17 . 1 1 65 65 PHE H H 65 8.580 8.580 8.244 0.336 19007 9167 1 17 . 1 1 66 66 LEU N N 66 125.260 125.260 121.751 3.509 19007 9168 1 17 . 1 1 66 66 LEU HA H 66 4.288 4.288 4.333 -0.045 19007 9169 1 17 . 1 1 66 66 LEU C C 66 176.508 176.508 176.844 -0.336 19007 9170 1 17 . 1 1 66 66 LEU CA C 66 53.080 53.080 54.921 -1.841 19007 9171 1 17 . 1 1 66 66 LEU CB C 66 43.170 43.170 43.172 -0.002 19007 9172 1 17 . 1 1 66 66 LEU H H 66 8.040 8.040 7.737 0.303 19007 9173 1 17 . 1 1 67 67 TYR N N 67 120.480 120.480 123.585 -3.105 19007 9174 1 17 . 1 1 67 67 TYR HA H 67 4.515 4.515 4.394 0.121 19007 9175 1 17 . 1 1 67 67 TYR C C 67 177.791 177.791 176.627 1.164 19007 9176 1 17 . 1 1 67 67 TYR CA C 67 58.120 58.120 57.897 0.223 19007 9177 1 17 . 1 1 67 67 TYR CB C 67 39.320 39.320 36.496 2.824 19007 9178 1 17 . 1 1 67 67 TYR H H 67 7.880 7.880 8.873 -0.993 19007 9179 1 17 . 1 1 68 68 LYS N N 68 125.020 125.020 124.508 0.512 19007 9180 1 17 . 1 1 68 68 LYS HA H 68 4.034 4.034 3.798 0.236 19007 9181 1 17 . 1 1 68 68 LYS C C 68 178.364 178.364 178.152 0.212 19007 9182 1 17 . 1 1 68 68 LYS CA C 68 60.130 60.130 59.882 0.248 19007 9183 1 17 . 1 1 68 68 LYS CB C 68 32.150 32.150 32.241 -0.091 19007 9184 1 17 . 1 1 68 68 LYS H H 68 9.120 9.120 7.707 1.413 19007 9185 1 17 . 1 1 69 69 GLU N N 69 116.430 116.430 117.730 -1.300 19007 9186 1 17 . 1 1 69 69 GLU HA H 69 4.133 4.133 4.039 0.094 19007 9187 1 17 . 1 1 69 69 GLU C C 69 179.538 179.538 179.470 0.068 19007 9188 1 17 . 1 1 69 69 GLU CA C 69 60.030 60.030 60.123 -0.093 19007 9189 1 17 . 1 1 69 69 GLU CB C 69 28.560 28.560 28.672 -0.112 19007 9190 1 17 . 1 1 69 69 GLU H H 69 9.460 9.460 8.733 0.727 19007 9191 1 17 . 1 1 70 70 GLN N N 70 117.670 117.670 118.468 -0.798 19007 9192 1 17 . 1 1 70 70 GLN HA H 70 4.120 4.120 4.090 0.030 19007 9193 1 17 . 1 1 70 70 GLN C C 70 177.955 177.955 178.671 -0.716 19007 9194 1 17 . 1 1 70 70 GLN CA C 70 57.950 57.950 58.897 -0.947 19007 9195 1 17 . 1 1 70 70 GLN CB C 70 29.290 29.290 28.826 0.464 19007 9196 1 17 . 1 1 70 70 GLN H H 70 7.000 7.000 7.726 -0.726 19007 9197 1 17 . 1 1 71 71 GLU N N 71 120.850 120.850 118.218 2.632 19007 9198 1 17 . 1 1 71 71 GLU HA H 71 3.668 3.668 4.118 -0.450 19007 9199 1 17 . 1 1 71 71 GLU C C 71 179.429 179.429 178.904 0.525 19007 9200 1 17 . 1 1 71 71 GLU CA C 71 60.620 60.620 58.196 2.424 19007 9201 1 17 . 1 1 71 71 GLU CB C 71 29.660 29.660 28.914 0.746 19007 9202 1 17 . 1 1 71 71 GLU H H 71 8.080 8.080 7.705 0.375 19007 9203 1 17 . 1 1 72 72 GLU N N 72 119.670 119.670 121.472 -1.802 19007 9204 1 17 . 1 1 72 72 GLU HA H 72 4.038 4.038 3.925 0.113 19007 9205 1 17 . 1 1 72 72 GLU C C 72 178.446 178.446 178.534 -0.088 19007 9206 1 17 . 1 1 72 72 GLU CA C 72 59.690 59.690 59.928 -0.238 19007 9207 1 17 . 1 1 72 72 GLU CB C 72 29.350 29.350 29.548 -0.198 19007 9208 1 17 . 1 1 72 72 GLU H H 72 8.390 8.390 8.649 -0.259 19007 9209 1 17 . 1 1 73 73 GLN N N 73 119.030 119.030 117.788 1.242 19007 9210 1 17 . 1 1 73 73 GLN HA H 73 4.110 4.110 4.032 0.078 19007 9211 1 17 . 1 1 73 73 GLN C C 73 179.320 179.320 178.517 0.803 19007 9212 1 17 . 1 1 73 73 GLN CA C 73 59.470 59.470 58.497 0.973 19007 9213 1 17 . 1 1 73 73 GLN CB C 73 29.480 29.480 28.228 1.252 19007 9214 1 17 . 1 1 73 73 GLN H H 73 7.730 7.730 8.376 -0.646 19007 9215 1 17 . 1 1 74 74 LEU N N 74 119.760 119.760 115.138 4.622 19007 9216 1 17 . 1 1 74 74 LEU HA H 74 3.918 3.918 4.432 -0.514 19007 9217 1 17 . 1 1 74 74 LEU C C 74 177.818 177.818 178.619 -0.801 19007 9218 1 17 . 1 1 74 74 LEU CA C 74 58.720 58.720 57.265 1.455 19007 9219 1 17 . 1 1 74 74 LEU CB C 74 42.890 42.890 41.629 1.262 19007 9220 1 17 . 1 1 74 74 LEU H H 74 8.290 8.290 7.333 0.957 19007 9221 1 17 . 1 1 75 75 THR N N 75 113.520 113.520 116.461 -2.941 19007 9222 1 17 . 1 1 75 75 THR HA H 75 3.680 3.680 4.010 -0.330 19007 9223 1 17 . 1 1 75 75 THR C C 75 176.480 176.480 176.575 -0.095 19007 9224 1 17 . 1 1 75 75 THR CA C 75 66.990 66.990 66.770 0.220 19007 9225 1 17 . 1 1 75 75 THR CB C 75 68.640 68.640 68.360 0.280 19007 9226 1 17 . 1 1 75 75 THR H H 75 8.450 8.450 7.979 0.471 19007 9227 1 17 . 1 1 76 76 GLU N N 76 121.340 121.340 121.314 0.026 19007 9228 1 17 . 1 1 76 76 GLU HA H 76 4.014 4.014 3.952 0.062 19007 9229 1 17 . 1 1 76 76 GLU C C 76 178.965 178.965 178.287 0.678 19007 9230 1 17 . 1 1 76 76 GLU CA C 76 59.190 59.190 59.813 -0.624 19007 9231 1 17 . 1 1 76 76 GLU CB C 76 29.590 29.590 29.155 0.435 19007 9232 1 17 . 1 1 76 76 GLU H H 76 8.330 8.330 8.578 -0.248 19007 9233 1 17 . 1 1 77 77 LEU N N 77 120.170 120.170 118.798 1.372 19007 9234 1 17 . 1 1 77 77 LEU HA H 77 3.955 3.955 4.074 -0.119 19007 9235 1 17 . 1 1 77 77 LEU C C 77 180.057 180.057 179.605 0.452 19007 9236 1 17 . 1 1 77 77 LEU CA C 77 58.510 58.510 58.169 0.341 19007 9237 1 17 . 1 1 77 77 LEU CB C 77 42.716 42.716 41.778 0.938 19007 9238 1 17 . 1 1 77 77 LEU H H 77 7.560 7.560 7.393 0.167 19007 9239 1 17 . 1 1 78 78 ILE N N 78 119.930 119.930 118.081 1.849 19007 9240 1 17 . 1 1 78 78 ILE HA H 78 3.429 3.429 3.743 -0.314 19007 9241 1 17 . 1 1 78 78 ILE C C 78 176.043 176.043 177.610 -1.567 19007 9242 1 17 . 1 1 78 78 ILE CA C 78 65.740 65.740 63.883 1.857 19007 9243 1 17 . 1 1 78 78 ILE CB C 78 37.960 37.960 37.545 0.415 19007 9244 1 17 . 1 1 78 78 ILE H H 78 7.740 7.740 7.371 0.369 19007 9245 1 17 . 1 1 79 79 ALA N N 79 116.940 116.940 122.614 -5.674 19007 9246 1 17 . 1 1 79 79 ALA HA H 79 4.229 4.229 4.013 0.216 19007 9247 1 17 . 1 1 79 79 ALA C C 79 178.719 178.719 179.763 -1.044 19007 9248 1 17 . 1 1 79 79 ALA CA C 79 53.390 53.390 55.006 -1.616 19007 9249 1 17 . 1 1 79 79 ALA CB C 79 18.500 18.500 17.698 0.802 19007 9250 1 17 . 1 1 79 79 ALA H H 79 8.210 8.210 8.512 -0.302 19007 9251 1 17 . 1 1 80 80 SER N N 80 113.260 113.260 114.769 -1.509 19007 9252 1 17 . 1 1 80 80 SER HA H 80 4.253 4.253 4.248 0.005 19007 9253 1 17 . 1 1 80 80 SER C C 80 174.869 174.869 175.190 -0.321 19007 9254 1 17 . 1 1 80 80 SER CA C 80 60.550 60.550 61.096 -0.546 19007 9255 1 17 . 1 1 80 80 SER CB C 80 63.130 63.130 63.522 -0.392 19007 9256 1 17 . 1 1 80 80 SER H H 80 7.600 7.600 7.956 -0.356 19007 9257 1 17 . 1 1 81 81 LYS N N 81 123.510 123.510 117.934 5.576 19007 9258 1 17 . 1 1 81 81 LYS HA H 81 4.527 4.527 4.650 -0.123 19007 9259 1 17 . 1 1 81 81 LYS C C 81 176.289 176.289 174.957 1.332 19007 9260 1 17 . 1 1 81 81 LYS CA C 81 54.000 54.000 55.019 -1.019 19007 9261 1 17 . 1 1 81 81 LYS CB C 81 30.440 30.440 32.646 -2.206 19007 9262 1 17 . 1 1 81 81 LYS H H 81 7.690 7.690 7.592 0.098 19007 9263 1 17 . 1 1 82 82 LYS N N 82 120.760 120.760 121.505 -0.745 19007 9264 1 17 . 1 1 82 82 LYS HA H 82 4.539 4.539 4.173 0.366 19007 9265 1 17 . 1 1 82 82 LYS C C 82 176.835 176.835 175.931 0.904 19007 9266 1 17 . 1 1 82 82 LYS CA C 82 59.090 59.090 56.858 2.232 19007 9267 1 17 . 1 1 82 82 LYS CB C 82 32.330 32.330 30.584 1.746 19007 9268 1 17 . 1 1 82 82 LYS H H 82 8.190 8.190 7.630 0.560 19007 9269 1 17 . 1 1 83 83 ASP N N 83 117.280 117.280 122.994 -5.714 19007 9270 1 17 . 1 1 83 83 ASP HA H 83 4.659 4.659 4.583 0.076 19007 9271 1 17 . 1 1 83 83 ASP C C 83 174.460 174.460 175.863 -1.403 19007 9272 1 17 . 1 1 83 83 ASP CA C 83 55.390 55.390 54.515 0.875 19007 9273 1 17 . 1 1 83 83 ASP CB C 83 40.680 40.680 41.287 -0.607 19007 9274 1 17 . 1 1 83 83 ASP H H 83 8.670 8.670 8.289 0.381 19007 9275 1 17 . 1 1 84 84 LEU N N 84 117.780 117.780 117.459 0.321 19007 9276 1 17 . 1 1 84 84 LEU HA H 84 5.100 5.100 4.308 0.792 19007 9277 1 17 . 1 1 84 84 LEU C C 84 176.753 176.753 177.573 -0.820 19007 9278 1 17 . 1 1 84 84 LEU CA C 84 54.560 54.560 52.720 1.840 19007 9279 1 17 . 1 1 84 84 LEU CB C 84 43.690 43.690 42.269 1.421 19007 9280 1 17 . 1 1 84 84 LEU H H 84 7.640 7.640 7.455 0.185 19007 9281 1 17 . 1 1 85 85 PHE N N 85 117.610 117.610 120.504 -2.894 19007 9282 1 17 . 1 1 85 85 PHE HA H 85 4.754 4.754 4.517 0.237 19007 9283 1 17 . 1 1 85 85 PHE C C 85 173.204 173.204 174.178 -0.974 19007 9284 1 17 . 1 1 85 85 PHE CA C 85 56.400 56.400 57.870 -1.470 19007 9285 1 17 . 1 1 85 85 PHE CB C 85 42.000 42.000 37.297 4.703 19007 9286 1 17 . 1 1 85 85 PHE H H 85 8.280 8.280 8.404 -0.124 19007 9287 1 17 . 1 1 86 86 VAL N N 86 123.600 123.600 121.874 1.726 19007 9288 1 17 . 1 1 86 86 VAL HA H 86 3.882 3.882 4.676 -0.794 19007 9289 1 17 . 1 1 86 86 VAL C C 86 174.651 174.651 174.615 0.036 19007 9290 1 17 . 1 1 86 86 VAL CA C 86 63.640 63.640 60.818 2.822 19007 9291 1 17 . 1 1 86 86 VAL CB C 86 31.440 31.440 33.302 -1.862 19007 9292 1 17 . 1 1 86 86 VAL H H 86 8.880 8.880 7.672 1.208 19007 9293 1 17 . 1 1 87 87 HIS N N 87 130.690 130.690 127.158 3.532 19007 9294 1 17 . 1 1 87 87 HIS HA H 87 4.420 4.420 4.880 -0.460 19007 9295 1 17 . 1 1 87 87 HIS C C 87 175.497 175.497 173.507 1.990 19007 9296 1 17 . 1 1 87 87 HIS CA C 87 58.090 58.090 55.523 2.567 19007 9297 1 17 . 1 1 87 87 HIS CB C 87 32.870 32.870 33.547 -0.677 19007 9298 1 17 . 1 1 87 87 HIS H H 87 9.320 9.320 8.635 0.685 19007 9299 1 17 . 1 1 88 88 SER N N 88 109.280 109.280 121.141 -11.861 19007 9300 1 17 . 1 1 88 88 SER HA H 88 4.503 4.503 5.730 -1.227 19007 9301 1 17 . 1 1 88 88 SER C C 88 172.248 172.248 173.327 -1.079 19007 9302 1 17 . 1 1 88 88 SER CA C 88 57.560 57.560 57.168 0.392 19007 9303 1 17 . 1 1 88 88 SER CB C 88 64.890 64.890 65.670 -0.780 19007 9304 1 17 . 1 1 88 88 SER H H 88 7.370 7.370 8.789 -1.419 19007 9305 1 17 . 1 1 89 89 ILE N N 89 122.260 122.260 124.726 -2.466 19007 9306 1 17 . 1 1 89 89 ILE HA H 89 4.265 4.265 4.623 -0.358 19007 9307 1 17 . 1 1 89 89 ILE C C 89 174.569 174.569 173.587 0.982 19007 9308 1 17 . 1 1 89 89 ILE CA C 89 61.110 61.110 59.919 1.191 19007 9309 1 17 . 1 1 89 89 ILE CB C 89 39.960 39.960 41.550 -1.590 19007 9310 1 17 . 1 1 89 89 ILE H H 89 8.400 8.400 8.629 -0.229 19007 9311 1 17 . 1 1 90 90 ASP N N 90 126.690 126.690 125.233 1.457 19007 9312 1 17 . 1 1 90 90 ASP HA H 90 5.064 5.064 5.514 -0.450 19007 9313 1 17 . 1 1 90 90 ASP C C 90 174.469 174.469 175.416 -0.947 19007 9314 1 17 . 1 1 90 90 ASP CA C 90 53.600 53.600 52.487 1.113 19007 9315 1 17 . 1 1 90 90 ASP CB C 90 44.230 44.230 43.298 0.932 19007 9316 1 17 . 1 1 90 90 ASP H H 90 8.800 8.800 8.342 0.458 19007 9317 1 17 . 1 1 91 91 SER N N 91 116.760 116.760 113.968 2.792 19007 9318 1 17 . 1 1 91 91 SER HA H 91 4.781 4.781 4.850 -0.069 19007 9319 1 17 . 1 1 91 91 SER C C 91 173.164 173.164 173.670 -0.506 19007 9320 1 17 . 1 1 91 91 SER CA C 91 57.430 57.430 57.544 -0.114 19007 9321 1 17 . 1 1 91 91 SER CB C 91 65.250 65.250 63.926 1.324 19007 9322 1 17 . 1 1 91 91 SER H H 91 8.500 8.500 8.501 -0.001 19007 9323 1 17 . 1 1 92 92 GLU N N 92 123.420 123.420 120.558 2.862 19007 9324 1 17 . 1 1 92 92 GLU HA H 92 4.355 4.355 4.589 -0.234 19007 9325 1 17 . 1 1 92 92 GLU C C 92 176.419 176.419 176.548 -0.129 19007 9326 1 17 . 1 1 92 92 GLU CA C 92 56.250 56.250 56.084 0.166 19007 9327 1 17 . 1 1 92 92 GLU CB C 92 30.730 30.730 30.454 0.276 19007 9328 1 17 . 1 1 92 92 GLU H H 92 8.620 8.620 7.758 0.862 19007 9329 1 17 . 1 1 93 93 VAL N N 93 122.090 122.090 118.932 3.158 19007 9330 1 17 . 1 1 93 93 VAL HA H 93 4.105 4.105 4.229 -0.124 19007 9331 1 17 . 1 1 93 93 VAL CA C 93 62.240 62.240 62.589 -0.349 19007 9332 1 17 . 1 1 93 93 VAL CB C 93 32.860 32.860 32.906 -0.046 19007 9333 1 17 . 1 1 93 93 VAL H H 93 8.220 8.220 8.638 -0.418 19007 9334 1 17 . 1 1 96 96 LYS HA H 96 4.079 4.079 4.723 -0.644 19007 9335 1 17 . 1 1 96 96 LYS C C 96 176.053 176.053 174.386 1.667 19007 9336 1 17 . 1 1 96 96 LYS CA C 96 62.497 62.497 55.495 7.002 19007 9337 1 17 . 1 1 96 96 LYS CB C 96 32.776 32.776 35.043 -2.267 19007 9338 1 17 . 1 1 97 97 LYS N N 97 126.170 126.170 121.256 4.914 19007 9339 1 17 . 1 1 97 97 LYS HA H 97 4.300 4.300 4.613 -0.313 19007 9340 1 17 . 1 1 97 97 LYS C C 97 176.665 176.665 175.078 1.587 19007 9341 1 17 . 1 1 97 97 LYS CA C 97 56.730 56.730 55.515 1.215 19007 9342 1 17 . 1 1 97 97 LYS CB C 97 33.020 33.020 34.796 -1.776 19007 9343 1 17 . 1 1 97 97 LYS H H 97 8.500 8.500 8.362 0.138 19007 9344 1 17 . 1 1 98 98 GLU N N 98 122.020 122.020 124.151 -2.131 19007 9345 1 17 . 1 1 98 98 GLU HA H 98 4.226 4.226 4.313 -0.087 19007 9346 1 17 . 1 1 98 98 GLU C C 98 176.382 176.382 176.396 -0.014 19007 9347 1 17 . 1 1 98 98 GLU CA C 98 56.890 56.890 56.487 0.403 19007 9348 1 17 . 1 1 98 98 GLU CB C 98 30.410 30.410 28.437 1.973 19007 9349 1 17 . 1 1 98 98 GLU H H 98 8.470 8.470 8.940 -0.470 19007 9350 1 17 . 1 1 99 99 ALA N N 99 124.770 124.770 130.663 -5.893 19007 9351 1 17 . 1 1 99 99 ALA HA H 99 4.281 4.281 4.386 -0.105 19007 9352 1 17 . 1 1 99 99 ALA C C 99 177.723 177.723 176.772 0.951 19007 9353 1 17 . 1 1 99 99 ALA CA C 99 52.880 52.880 51.644 1.236 19007 9354 1 17 . 1 1 99 99 ALA CB C 99 19.320 19.320 18.251 1.069 19007 9355 1 17 . 1 1 99 99 ALA H H 99 8.310 8.310 8.420 -0.110 19007 9356 1 17 . 1 1 100 100 GLN N N 100 119.190 119.190 120.543 -1.353 19007 9357 1 17 . 1 1 100 100 GLN HA H 100 4.266 4.266 4.396 -0.130 19007 9358 1 17 . 1 1 100 100 GLN CA C 100 56.000 56.000 55.376 0.624 19007 9359 1 17 . 1 1 100 100 GLN CB C 100 29.970 29.970 30.303 -0.333 19007 9360 1 17 . 1 1 100 100 GLN H H 100 8.280 8.280 7.747 0.533 19007 9361 1 17 . 1 1 101 101 GLN N N 101 120.421 120.421 125.128 -4.707 19007 9362 1 17 . 1 1 101 101 GLN HA H 101 4.650 4.650 4.361 0.289 19007 9363 1 17 . 1 1 101 101 GLN C C 101 175.725 175.725 175.446 0.279 19007 9364 1 17 . 1 1 101 101 GLN CA C 101 56.073 56.073 55.814 0.259 19007 9365 1 17 . 1 1 101 101 GLN CB C 101 29.524 29.524 27.962 1.562 19007 9366 1 17 . 1 1 101 101 GLN H H 101 8.114 8.114 8.666 -0.552 19007 9367 1 17 . 1 1 102 102 ILE N N 102 122.940 122.940 124.640 -1.700 19007 9368 1 17 . 1 1 102 102 ILE HA H 102 4.119 4.119 4.356 -0.237 19007 9369 1 17 . 1 1 102 102 ILE C C 102 175.916 175.916 174.455 1.461 19007 9370 1 17 . 1 1 102 102 ILE CA C 102 61.260 61.260 61.376 -0.116 19007 9371 1 17 . 1 1 102 102 ILE CB C 102 38.790 38.790 38.807 -0.017 19007 9372 1 17 . 1 1 102 102 ILE H H 102 8.240 8.240 7.877 0.363 19007 9373 1 17 . 1 1 103 103 ARG N N 103 125.780 125.780 128.326 -2.546 19007 9374 1 17 . 1 1 103 103 ARG HA H 103 4.369 4.369 4.676 -0.307 19007 9375 1 17 . 1 1 103 103 ARG C C 103 175.752 175.752 176.480 -0.728 19007 9376 1 17 . 1 1 103 103 ARG CA C 103 55.940 55.940 55.658 0.282 19007 9377 1 17 . 1 1 103 103 ARG CB C 103 31.340 31.340 31.067 0.273 19007 9378 1 17 . 1 1 103 103 ARG H H 103 8.400 8.400 8.555 -0.155 19007 9379 1 17 . 1 1 104 104 GLU N N 104 123.840 123.840 123.876 -0.036 19007 9380 1 17 . 1 1 104 104 GLU HA H 104 4.296 4.296 4.277 0.019 19007 9381 1 17 . 1 1 104 104 GLU C C 104 175.314 175.314 176.119 -0.805 19007 9382 1 17 . 1 1 104 104 GLU CA C 104 56.430 56.430 57.529 -1.099 19007 9383 1 17 . 1 1 104 104 GLU CB C 104 30.560 30.560 29.972 0.588 19007 9384 1 17 . 1 1 104 104 GLU H H 104 8.510 8.510 8.884 -0.374 19007 9385 1 18 . 1 1 6 6 THR HA H 6 4.321 4.321 4.421 -0.100 19007 9386 1 18 . 1 1 6 6 THR C C 6 174.339 174.339 174.506 -0.167 19007 9387 1 18 . 1 1 6 6 THR CA C 6 62.139 62.139 61.475 0.664 19007 9388 1 18 . 1 1 6 6 THR CB C 6 69.788 69.788 69.525 0.263 19007 9389 1 18 . 1 1 7 7 LYS N N 7 124.350 124.350 120.802 3.548 19007 9390 1 18 . 1 1 7 7 LYS HA H 7 4.265 4.265 4.186 0.079 19007 9391 1 18 . 1 1 7 7 LYS C C 7 176.341 176.341 175.419 0.922 19007 9392 1 18 . 1 1 7 7 LYS CA C 7 56.980 56.980 56.509 0.471 19007 9393 1 18 . 1 1 7 7 LYS CB C 7 33.110 33.110 32.765 0.345 19007 9394 1 18 . 1 1 7 7 LYS H H 7 8.320 8.320 8.409 -0.089 19007 9395 1 18 . 1 1 8 8 LYS N N 8 123.170 123.170 121.648 1.522 19007 9396 1 18 . 1 1 8 8 LYS HA H 8 4.253 4.253 4.338 -0.085 19007 9397 1 18 . 1 1 8 8 LYS C C 8 176.083 176.083 175.600 0.483 19007 9398 1 18 . 1 1 8 8 LYS CA C 8 56.450 56.450 55.529 0.921 19007 9399 1 18 . 1 1 8 8 LYS CB C 8 33.480 33.480 34.415 -0.935 19007 9400 1 18 . 1 1 8 8 LYS H H 8 8.340 8.340 8.605 -0.265 19007 9401 1 18 . 1 1 9 9 GLN N N 9 123.010 123.010 119.165 3.845 19007 9402 1 18 . 1 1 9 9 GLN HA H 9 4.289 4.289 4.353 -0.064 19007 9403 1 18 . 1 1 9 9 GLN C C 9 174.914 174.914 174.978 -0.064 19007 9404 1 18 . 1 1 9 9 GLN CA C 9 56.520 56.520 57.030 -0.510 19007 9405 1 18 . 1 1 9 9 GLN CB C 9 30.790 30.790 29.632 1.158 19007 9406 1 18 . 1 1 9 9 GLN H H 9 8.440 8.440 8.654 -0.214 19007 9407 1 18 . 1 1 10 10 GLN N N 10 121.180 121.180 114.641 6.539 19007 9408 1 18 . 1 1 10 10 GLN HA H 10 4.769 4.769 4.921 -0.152 19007 9409 1 18 . 1 1 10 10 GLN C C 10 175.865 175.865 174.149 1.716 19007 9410 1 18 . 1 1 10 10 GLN CA C 10 55.580 55.580 54.547 1.033 19007 9411 1 18 . 1 1 10 10 GLN CB C 10 29.630 29.630 31.543 -1.913 19007 9412 1 18 . 1 1 10 10 GLN H H 10 8.170 8.170 7.675 0.495 19007 9413 1 18 . 1 1 11 11 TYR N N 11 120.110 120.110 121.979 -1.869 19007 9414 1 18 . 1 1 11 11 TYR HA H 11 4.769 4.769 4.687 0.082 19007 9415 1 18 . 1 1 11 11 TYR C C 11 174.319 174.319 172.943 1.376 19007 9416 1 18 . 1 1 11 11 TYR CA C 11 58.490 58.490 57.800 0.690 19007 9417 1 18 . 1 1 11 11 TYR CB C 11 39.350 39.350 42.107 -2.757 19007 9418 1 18 . 1 1 11 11 TYR H H 11 8.470 8.470 8.447 0.023 19007 9419 1 18 . 1 1 12 12 VAL N N 12 117.030 117.030 124.357 -7.327 19007 9420 1 18 . 1 1 12 12 VAL HA H 12 4.793 4.793 5.098 -0.305 19007 9421 1 18 . 1 1 12 12 VAL C C 12 174.636 174.636 173.701 0.935 19007 9422 1 18 . 1 1 12 12 VAL CA C 12 60.730 60.730 60.353 0.377 19007 9423 1 18 . 1 1 12 12 VAL CB C 12 34.790 34.790 35.100 -0.310 19007 9424 1 18 . 1 1 12 12 VAL H H 12 7.590 7.590 7.740 -0.150 19007 9425 1 18 . 1 1 13 13 THR N N 13 121.770 121.770 123.257 -1.487 19007 9426 1 18 . 1 1 13 13 THR HA H 13 4.615 4.615 4.590 0.025 19007 9427 1 18 . 1 1 13 13 THR C C 13 173.030 173.030 172.222 0.808 19007 9428 1 18 . 1 1 13 13 THR CA C 13 61.540 61.540 61.605 -0.065 19007 9429 1 18 . 1 1 13 13 THR CB C 13 71.050 71.050 70.401 0.649 19007 9430 1 18 . 1 1 13 13 THR H H 13 8.620 8.620 8.389 0.231 19007 9431 1 18 . 1 1 14 14 ILE N N 14 126.190 126.190 126.214 -0.024 19007 9432 1 18 . 1 1 14 14 ILE HA H 14 4.781 4.781 4.625 0.156 19007 9433 1 18 . 1 1 14 14 ILE C C 14 175.112 175.112 174.825 0.287 19007 9434 1 18 . 1 1 14 14 ILE CA C 14 61.120 61.120 60.510 0.610 19007 9435 1 18 . 1 1 14 14 ILE CB C 14 40.340 40.340 40.658 -0.318 19007 9436 1 18 . 1 1 14 14 ILE H H 14 8.890 8.890 8.500 0.390 19007 9437 1 18 . 1 1 15 15 LYS N N 15 127.020 127.020 128.244 -1.224 19007 9438 1 18 . 1 1 15 15 LYS HA H 15 4.734 4.734 4.716 0.018 19007 9439 1 18 . 1 1 15 15 LYS C C 15 175.409 175.409 175.439 -0.030 19007 9440 1 18 . 1 1 15 15 LYS CA C 15 54.740 54.740 55.382 -0.642 19007 9441 1 18 . 1 1 15 15 LYS CB C 15 35.430 35.430 33.948 1.482 19007 9442 1 18 . 1 1 15 15 LYS H H 15 8.850 8.850 9.087 -0.237 19007 9443 1 18 . 1 1 16 16 GLY N N 16 112.120 112.120 111.397 0.723 19007 9444 1 18 . 1 1 16 16 GLY C C 16 172.566 172.566 173.548 -0.982 19007 9445 1 18 . 1 1 16 16 GLY CA C 16 45.560 45.560 45.102 0.458 19007 9446 1 18 . 1 1 16 16 GLY H H 16 8.870 8.870 8.668 0.202 19007 9447 1 18 . 1 1 17 17 THR N N 17 114.520 114.520 114.929 -0.409 19007 9448 1 18 . 1 1 17 17 THR HA H 17 4.753 4.753 4.450 0.303 19007 9449 1 18 . 1 1 17 17 THR CA C 17 60.360 60.360 61.589 -1.228 19007 9450 1 18 . 1 1 17 17 THR CB C 17 72.040 72.040 69.826 2.214 19007 9451 1 18 . 1 1 17 17 THR H H 17 8.380 8.380 7.512 0.868 19007 9452 1 18 . 1 1 19 19 ASN HA H 19 4.778 4.778 5.035 -0.257 19007 9453 1 18 . 1 1 19 19 ASN C C 19 174.616 174.616 174.303 0.313 19007 9454 1 18 . 1 1 19 19 ASN CA C 19 53.700 53.700 52.722 0.978 19007 9455 1 18 . 1 1 19 19 ASN CB C 19 39.018 39.018 39.702 -0.684 19007 9456 1 18 . 1 1 20 20 GLY N N 20 108.600 108.600 108.135 0.465 19007 9457 1 18 . 1 1 20 20 GLY C C 20 172.297 172.297 173.040 -0.743 19007 9458 1 18 . 1 1 20 20 GLY CA C 20 46.310 46.310 45.169 1.141 19007 9459 1 18 . 1 1 20 20 GLY H H 20 7.590 7.590 8.460 -0.870 19007 9460 1 18 . 1 1 21 21 LEU N N 21 123.210 123.210 121.891 1.319 19007 9461 1 18 . 1 1 21 21 LEU HA H 21 5.015 5.015 4.945 0.070 19007 9462 1 18 . 1 1 21 21 LEU C C 21 176.202 176.202 174.845 1.357 19007 9463 1 18 . 1 1 21 21 LEU CA C 21 54.090 54.090 55.370 -1.280 19007 9464 1 18 . 1 1 21 21 LEU CB C 21 45.940 45.940 44.276 1.664 19007 9465 1 18 . 1 1 21 21 LEU H H 21 8.760 8.760 8.419 0.341 19007 9466 1 18 . 1 1 22 22 THR N N 22 120.430 120.430 124.351 -3.921 19007 9467 1 18 . 1 1 22 22 THR HA H 22 5.191 5.191 5.076 0.115 19007 9468 1 18 . 1 1 22 22 THR C C 22 172.852 172.852 173.477 -0.625 19007 9469 1 18 . 1 1 22 22 THR CA C 22 61.850 61.850 61.922 -0.072 19007 9470 1 18 . 1 1 22 22 THR CB C 22 69.800 69.800 69.311 0.489 19007 9471 1 18 . 1 1 22 22 THR H H 22 9.150 9.150 9.082 0.068 19007 9472 1 18 . 1 1 23 23 LEU N N 23 127.110 127.110 122.602 4.508 19007 9473 1 18 . 1 1 23 23 LEU HA H 23 4.910 4.910 5.570 -0.660 19007 9474 1 18 . 1 1 23 23 LEU C C 23 174.200 174.200 174.626 -0.426 19007 9475 1 18 . 1 1 23 23 LEU CA C 23 52.770 52.770 53.251 -0.481 19007 9476 1 18 . 1 1 23 23 LEU CB C 23 44.220 44.220 45.953 -1.733 19007 9477 1 18 . 1 1 23 23 LEU H H 23 8.870 8.870 8.375 0.495 19007 9478 1 18 . 1 1 24 24 HIS N N 24 124.600 124.600 120.980 3.620 19007 9479 1 18 . 1 1 24 24 HIS HA H 24 4.875 4.875 5.735 -0.860 19007 9480 1 18 . 1 1 24 24 HIS C C 24 174.033 174.033 172.897 1.136 19007 9481 1 18 . 1 1 24 24 HIS CA C 24 56.000 56.000 54.890 1.110 19007 9482 1 18 . 1 1 24 24 HIS CB C 24 30.400 30.400 34.062 -3.662 19007 9483 1 18 . 1 1 24 24 HIS H H 24 9.160 9.160 8.724 0.436 19007 9484 1 18 . 1 1 25 25 LEU N N 25 125.950 125.950 128.364 -2.414 19007 9485 1 18 . 1 1 25 25 LEU HA H 25 4.382 4.382 5.142 -0.760 19007 9486 1 18 . 1 1 25 25 LEU C C 25 175.806 175.806 174.244 1.562 19007 9487 1 18 . 1 1 25 25 LEU CA C 25 53.250 53.250 53.478 -0.228 19007 9488 1 18 . 1 1 25 25 LEU CB C 25 41.030 41.030 45.684 -4.654 19007 9489 1 18 . 1 1 25 25 LEU H H 25 8.420 8.420 8.155 0.265 19007 9490 1 18 . 1 1 26 26 ASP N N 26 126.170 126.170 126.238 -0.068 19007 9491 1 18 . 1 1 26 26 ASP HA H 26 4.344 4.344 5.247 -0.903 19007 9492 1 18 . 1 1 26 26 ASP C C 26 176.302 176.302 174.613 1.689 19007 9493 1 18 . 1 1 26 26 ASP CA C 26 56.480 56.480 53.168 3.312 19007 9494 1 18 . 1 1 26 26 ASP CB C 26 43.880 43.880 41.517 2.363 19007 9495 1 18 . 1 1 26 26 ASP H H 26 8.630 8.630 8.477 0.153 19007 9496 1 18 . 1 1 27 27 ASP N N 27 122.430 122.430 121.971 0.459 19007 9497 1 18 . 1 1 27 27 ASP HA H 27 4.540 4.540 4.792 -0.252 19007 9498 1 18 . 1 1 27 27 ASP C C 27 176.381 176.381 173.991 2.390 19007 9499 1 18 . 1 1 27 27 ASP CA C 27 54.060 54.060 53.766 0.294 19007 9500 1 18 . 1 1 27 27 ASP CB C 27 40.820 40.820 43.556 -2.736 19007 9501 1 18 . 1 1 27 27 ASP H H 27 8.150 8.150 7.633 0.517 19007 9502 1 18 . 1 1 28 28 ALA N N 28 123.520 123.520 126.561 -3.041 19007 9503 1 18 . 1 1 28 28 ALA HA H 28 4.600 4.600 4.368 0.232 19007 9504 1 18 . 1 1 28 28 ALA C C 28 178.324 178.324 177.196 1.128 19007 9505 1 18 . 1 1 28 28 ALA CA C 28 52.860 52.860 51.510 1.350 19007 9506 1 18 . 1 1 28 28 ALA CB C 28 20.790 20.790 19.750 1.040 19007 9507 1 18 . 1 1 28 28 ALA H H 28 8.480 8.480 8.403 0.077 19007 9508 1 18 . 1 1 29 29 CYS N N 29 115.580 115.580 118.925 -3.345 19007 9509 1 18 . 1 1 29 29 CYS HA H 29 4.680 4.680 4.288 0.392 19007 9510 1 18 . 1 1 29 29 CYS C C 29 174.696 174.696 173.771 0.925 19007 9511 1 18 . 1 1 29 29 CYS CA C 29 56.060 56.060 60.132 -4.072 19007 9512 1 18 . 1 1 29 29 CYS CB C 29 29.050 29.050 24.920 4.130 19007 9513 1 18 . 1 1 29 29 CYS H H 29 7.510 7.510 8.417 -0.907 19007 9514 1 18 . 1 1 30 30 SER N N 30 119.090 119.090 113.789 5.301 19007 9515 1 18 . 1 1 30 30 SER HA H 30 4.500 4.500 4.455 0.045 19007 9516 1 18 . 1 1 30 30 SER CA C 30 58.370 58.370 56.429 1.941 19007 9517 1 18 . 1 1 30 30 SER CB C 30 64.170 64.170 65.911 -1.741 19007 9518 1 18 . 1 1 30 30 SER H H 30 9.170 9.170 7.864 1.306 19007 9519 1 18 . 1 1 31 31 PHE HA H 31 4.041 4.041 4.733 -0.692 19007 9520 1 18 . 1 1 31 31 PHE C C 31 176.440 176.440 175.792 0.648 19007 9521 1 18 . 1 1 31 31 PHE CA C 31 62.491 62.491 55.475 7.016 19007 9522 1 18 . 1 1 31 31 PHE CB C 31 39.018 39.018 39.721 -0.703 19007 9523 1 18 . 1 1 32 32 ASP N N 32 116.020 116.020 124.498 -8.478 19007 9524 1 18 . 1 1 32 32 ASP HA H 32 4.139 4.139 4.576 -0.437 19007 9525 1 18 . 1 1 32 32 ASP C C 32 178.978 178.978 176.479 2.499 19007 9526 1 18 . 1 1 32 32 ASP CA C 32 57.670 57.670 53.611 4.059 19007 9527 1 18 . 1 1 32 32 ASP CB C 32 40.290 40.290 38.860 1.430 19007 9528 1 18 . 1 1 32 32 ASP H H 32 8.370 8.370 8.998 -0.628 19007 9529 1 18 . 1 1 33 33 GLU N N 33 120.170 120.170 119.576 0.594 19007 9530 1 18 . 1 1 33 33 GLU HA H 33 4.149 4.149 4.220 -0.071 19007 9531 1 18 . 1 1 33 33 GLU C C 33 179.256 179.256 178.247 1.009 19007 9532 1 18 . 1 1 33 33 GLU CA C 33 58.810 58.810 58.943 -0.133 19007 9533 1 18 . 1 1 33 33 GLU CB C 33 29.510 29.510 29.351 0.159 19007 9534 1 18 . 1 1 33 33 GLU H H 33 7.560 7.560 8.331 -0.771 19007 9535 1 18 . 1 1 34 34 LEU N N 34 121.930 121.930 119.817 2.113 19007 9536 1 18 . 1 1 34 34 LEU HA H 34 3.755 3.755 4.176 -0.421 19007 9537 1 18 . 1 1 34 34 LEU C C 34 178.205 178.205 179.260 -1.055 19007 9538 1 18 . 1 1 34 34 LEU CA C 34 57.910 57.910 56.944 0.966 19007 9539 1 18 . 1 1 34 34 LEU CB C 34 41.980 41.980 41.783 0.197 19007 9540 1 18 . 1 1 34 34 LEU H H 34 7.730 7.730 8.152 -0.422 19007 9541 1 18 . 1 1 35 35 LEU N N 35 118.190 118.190 120.908 -2.718 19007 9542 1 18 . 1 1 35 35 LEU HA H 35 3.575 3.575 4.023 -0.448 19007 9543 1 18 . 1 1 35 35 LEU C C 35 179.295 179.295 178.586 0.709 19007 9544 1 18 . 1 1 35 35 LEU CA C 35 57.990 57.990 57.913 0.078 19007 9545 1 18 . 1 1 35 35 LEU CB C 35 40.900 40.900 41.720 -0.820 19007 9546 1 18 . 1 1 35 35 LEU H H 35 7.880 7.880 7.362 0.518 19007 9547 1 18 . 1 1 36 36 ASP N N 36 118.760 118.760 119.331 -0.571 19007 9548 1 18 . 1 1 36 36 ASP HA H 36 4.308 4.308 4.399 -0.091 19007 9549 1 18 . 1 1 36 36 ASP C C 36 178.819 178.819 178.492 0.327 19007 9550 1 18 . 1 1 36 36 ASP CA C 36 57.570 57.570 57.694 -0.124 19007 9551 1 18 . 1 1 36 36 ASP CB C 36 41.500 41.500 40.738 0.762 19007 9552 1 18 . 1 1 36 36 ASP H H 36 7.580 7.580 8.700 -1.120 19007 9553 1 18 . 1 1 37 37 GLY N N 37 107.520 107.520 108.545 -1.025 19007 9554 1 18 . 1 1 37 37 GLY C C 37 176.678 176.678 176.495 0.183 19007 9555 1 18 . 1 1 37 37 GLY CA C 37 47.340 47.340 47.184 0.156 19007 9556 1 18 . 1 1 37 37 GLY H H 37 8.210 8.210 8.383 -0.173 19007 9557 1 18 . 1 1 38 38 LEU N N 38 123.680 123.680 123.063 0.617 19007 9558 1 18 . 1 1 38 38 LEU HA H 38 4.007 4.007 4.125 -0.118 19007 9559 1 18 . 1 1 38 38 LEU C C 38 177.769 177.769 178.685 -0.916 19007 9560 1 18 . 1 1 38 38 LEU CA C 38 57.970 57.970 57.374 0.596 19007 9561 1 18 . 1 1 38 38 LEU CB C 38 42.250 42.250 40.880 1.370 19007 9562 1 18 . 1 1 38 38 LEU H H 38 8.800 8.800 7.906 0.894 19007 9563 1 18 . 1 1 39 39 GLN N N 39 118.840 118.840 119.699 -0.859 19007 9564 1 18 . 1 1 39 39 GLN HA H 39 3.887 3.887 3.948 -0.061 19007 9565 1 18 . 1 1 39 39 GLN C C 39 178.443 178.443 178.568 -0.125 19007 9566 1 18 . 1 1 39 39 GLN CA C 39 59.450 59.450 59.427 0.023 19007 9567 1 18 . 1 1 39 39 GLN CB C 39 28.400 28.400 28.376 0.024 19007 9568 1 18 . 1 1 39 39 GLN H H 39 8.460 8.460 8.370 0.090 19007 9569 1 18 . 1 1 40 40 ASN N N 40 116.110 116.110 118.490 -2.380 19007 9570 1 18 . 1 1 40 40 ASN HA H 40 4.488 4.488 4.474 0.014 19007 9571 1 18 . 1 1 40 40 ASN C C 40 177.491 177.491 177.781 -0.290 19007 9572 1 18 . 1 1 40 40 ASN CA C 40 56.330 56.330 56.224 0.106 19007 9573 1 18 . 1 1 40 40 ASN CB C 40 39.230 39.230 38.529 0.701 19007 9574 1 18 . 1 1 40 40 ASN H H 40 7.810 7.810 8.199 -0.389 19007 9575 1 18 . 1 1 41 41 MET N N 41 119.840 119.840 121.097 -1.257 19007 9576 1 18 . 1 1 41 41 MET HA H 41 4.344 4.344 4.116 0.228 19007 9577 1 18 . 1 1 41 41 MET C C 41 177.551 177.551 178.138 -0.587 19007 9578 1 18 . 1 1 41 41 MET CA C 41 58.140 58.140 59.517 -1.377 19007 9579 1 18 . 1 1 41 41 MET CB C 41 32.600 32.600 32.794 -0.194 19007 9580 1 18 . 1 1 41 41 MET H H 41 8.060 8.060 8.296 -0.236 19007 9581 1 18 . 1 1 42 42 LEU N N 42 116.680 116.680 118.555 -1.875 19007 9582 1 18 . 1 1 42 42 LEU HA H 42 4.236 4.236 3.913 0.323 19007 9583 1 18 . 1 1 42 42 LEU C C 42 177.055 177.055 178.915 -1.860 19007 9584 1 18 . 1 1 42 42 LEU CA C 42 55.850 55.850 57.910 -2.061 19007 9585 1 18 . 1 1 42 42 LEU CB C 42 41.490 41.490 41.507 -0.017 19007 9586 1 18 . 1 1 42 42 LEU H H 42 8.280 8.280 8.625 -0.345 19007 9587 1 18 . 1 1 43 43 SER N N 43 113.420 113.420 113.778 -0.358 19007 9588 1 18 . 1 1 43 43 SER HA H 43 4.452 4.452 4.181 0.271 19007 9589 1 18 . 1 1 43 43 SER C C 43 174.755 174.755 176.137 -1.382 19007 9590 1 18 . 1 1 43 43 SER CA C 43 59.340 59.340 61.303 -1.963 19007 9591 1 18 . 1 1 43 43 SER CB C 43 63.580 63.580 63.252 0.328 19007 9592 1 18 . 1 1 43 43 SER H H 43 7.650 7.650 7.705 -0.055 19007 9593 1 18 . 1 1 44 44 ILE N N 44 120.390 120.390 119.207 1.183 19007 9594 1 18 . 1 1 44 44 ILE HA H 44 4.188 4.188 3.958 0.230 19007 9595 1 18 . 1 1 44 44 ILE C C 44 176.440 176.440 177.383 -0.943 19007 9596 1 18 . 1 1 44 44 ILE CA C 44 61.500 61.500 63.618 -2.118 19007 9597 1 18 . 1 1 44 44 ILE CB C 44 38.640 38.640 38.293 0.347 19007 9598 1 18 . 1 1 44 44 ILE H H 44 7.590 7.590 7.410 0.180 19007 9599 1 18 . 1 1 45 45 GLU N N 45 118.850 118.850 118.564 0.286 19007 9600 1 18 . 1 1 45 45 GLU HA H 45 4.272 4.272 4.166 0.106 19007 9601 1 18 . 1 1 45 45 GLU C C 45 176.698 176.698 177.262 -0.564 19007 9602 1 18 . 1 1 45 45 GLU CA C 45 61.950 61.950 58.409 3.541 19007 9603 1 18 . 1 1 45 45 GLU CB C 45 29.840 29.840 30.428 -0.588 19007 9604 1 18 . 1 1 45 45 GLU H H 45 8.200 8.200 8.001 0.199 19007 9605 1 18 . 1 1 46 46 GLN N N 46 118.260 118.260 118.058 0.202 19007 9606 1 18 . 1 1 46 46 GLN HA H 46 4.212 4.212 4.507 -0.295 19007 9607 1 18 . 1 1 46 46 GLN C C 46 176.361 176.361 174.060 2.301 19007 9608 1 18 . 1 1 46 46 GLN CA C 46 56.770 56.770 55.752 1.018 19007 9609 1 18 . 1 1 46 46 GLN CB C 46 28.920 28.920 30.244 -1.323 19007 9610 1 18 . 1 1 46 46 GLN H H 46 8.270 8.270 8.038 0.232 19007 9611 1 18 . 1 1 47 47 TYR N N 47 117.690 117.690 120.789 -3.099 19007 9612 1 18 . 1 1 47 47 TYR HA H 47 4.701 4.701 4.925 -0.224 19007 9613 1 18 . 1 1 47 47 TYR C C 47 175.588 175.588 174.902 0.686 19007 9614 1 18 . 1 1 47 47 TYR CA C 47 58.290 58.290 57.170 1.119 19007 9615 1 18 . 1 1 47 47 TYR CB C 47 39.250 39.250 38.961 0.290 19007 9616 1 18 . 1 1 47 47 TYR H H 47 7.980 7.980 8.256 -0.276 19007 9617 1 18 . 1 1 48 48 THR N N 48 108.930 108.930 114.571 -5.641 19007 9618 1 18 . 1 1 48 48 THR HA H 48 4.464 4.464 4.052 0.412 19007 9619 1 18 . 1 1 48 48 THR C C 48 176.381 176.381 174.539 1.842 19007 9620 1 18 . 1 1 48 48 THR CA C 48 61.150 61.150 61.202 -0.052 19007 9621 1 18 . 1 1 48 48 THR CB C 48 70.190 70.190 67.872 2.318 19007 9622 1 18 . 1 1 48 48 THR H H 48 7.570 7.570 7.549 0.021 19007 9623 1 18 . 1 1 49 49 ASP N N 49 121.350 121.350 125.745 -4.395 19007 9624 1 18 . 1 1 49 49 ASP HA H 49 4.752 4.752 4.459 0.293 19007 9625 1 18 . 1 1 49 49 ASP C C 49 177.015 177.015 177.095 -0.080 19007 9626 1 18 . 1 1 49 49 ASP CA C 49 53.710 53.710 56.130 -2.420 19007 9627 1 18 . 1 1 49 49 ASP CB C 49 41.200 41.200 41.644 -0.444 19007 9628 1 18 . 1 1 49 49 ASP H H 49 8.100 8.100 7.943 0.157 19007 9629 1 18 . 1 1 50 50 GLY N N 50 112.360 112.360 106.992 5.368 19007 9630 1 18 . 1 1 50 50 GLY C C 50 175.449 175.449 174.620 0.829 19007 9631 1 18 . 1 1 50 50 GLY CA C 50 46.000 46.000 45.120 0.880 19007 9632 1 18 . 1 1 50 50 GLY H H 50 9.080 9.080 8.125 0.955 19007 9633 1 18 . 1 1 51 51 LYS N N 51 119.510 119.510 121.193 -1.683 19007 9634 1 18 . 1 1 51 51 LYS HA H 51 4.200 4.200 4.608 -0.408 19007 9635 1 18 . 1 1 51 51 LYS C C 51 177.214 177.214 176.010 1.204 19007 9636 1 18 . 1 1 51 51 LYS CA C 51 56.540 56.540 55.493 1.047 19007 9637 1 18 . 1 1 51 51 LYS CB C 51 31.420 31.420 33.626 -2.205 19007 9638 1 18 . 1 1 51 51 LYS H H 51 8.590 8.590 9.390 -0.800 19007 9639 1 18 . 1 1 52 52 GLY N N 52 108.180 108.180 108.816 -0.636 19007 9640 1 18 . 1 1 52 52 GLY C C 52 174.279 174.279 173.012 1.267 19007 9641 1 18 . 1 1 52 52 GLY CA C 52 45.450 45.450 45.120 0.330 19007 9642 1 18 . 1 1 52 52 GLY H H 52 8.670 8.670 7.736 0.934 19007 9643 1 18 . 1 1 53 53 GLN N N 53 120.010 120.010 119.979 0.031 19007 9644 1 18 . 1 1 53 53 GLN HA H 53 4.440 4.440 4.646 -0.206 19007 9645 1 18 . 1 1 53 53 GLN C C 53 175.001 175.001 174.743 0.258 19007 9646 1 18 . 1 1 53 53 GLN CA C 53 54.580 54.580 54.192 0.388 19007 9647 1 18 . 1 1 53 53 GLN CB C 53 30.330 30.330 31.360 -1.030 19007 9648 1 18 . 1 1 53 53 GLN H H 53 7.860 7.860 8.042 -0.182 19007 9649 1 18 . 1 1 54 54 LYS N N 54 120.420 120.420 123.529 -3.109 19007 9650 1 18 . 1 1 54 54 LYS HA H 54 4.704 4.704 4.966 -0.262 19007 9651 1 18 . 1 1 54 54 LYS C C 54 176.753 176.753 175.872 0.881 19007 9652 1 18 . 1 1 54 54 LYS CA C 54 55.830 55.830 55.190 0.640 19007 9653 1 18 . 1 1 54 54 LYS CB C 54 33.850 33.850 33.206 0.644 19007 9654 1 18 . 1 1 54 54 LYS H H 54 8.250 8.250 9.107 -0.857 19007 9655 1 18 . 1 1 55 55 ILE N N 55 125.360 125.360 128.744 -3.384 19007 9656 1 18 . 1 1 55 55 ILE HA H 55 4.169 4.169 4.627 -0.458 19007 9657 1 18 . 1 1 55 55 ILE C C 55 174.405 174.405 175.153 -0.748 19007 9658 1 18 . 1 1 55 55 ILE CA C 55 60.350 60.350 60.339 0.011 19007 9659 1 18 . 1 1 55 55 ILE CB C 55 39.690 39.690 37.075 2.615 19007 9660 1 18 . 1 1 55 55 ILE H H 55 9.050 9.050 8.677 0.373 19007 9661 1 18 . 1 1 56 56 SER N N 56 121.850 121.850 120.763 1.087 19007 9662 1 18 . 1 1 56 56 SER HA H 56 4.480 4.480 5.030 -0.550 19007 9663 1 18 . 1 1 56 56 SER C C 56 174.105 174.105 173.945 0.160 19007 9664 1 18 . 1 1 56 56 SER CA C 56 57.410 57.410 57.011 0.399 19007 9665 1 18 . 1 1 56 56 SER CB C 56 64.080 64.080 63.213 0.867 19007 9666 1 18 . 1 1 56 56 SER H H 56 8.330 8.330 7.839 0.491 19007 9667 1 18 . 1 1 57 57 VAL N N 57 123.190 123.190 127.431 -4.241 19007 9668 1 18 . 1 1 57 57 VAL HA H 57 4.861 4.861 4.089 0.772 19007 9669 1 18 . 1 1 57 57 VAL C C 57 174.869 174.869 174.786 0.083 19007 9670 1 18 . 1 1 57 57 VAL CA C 57 61.130 61.130 62.212 -1.083 19007 9671 1 18 . 1 1 57 57 VAL CB C 57 33.600 33.600 30.744 2.856 19007 9672 1 18 . 1 1 57 57 VAL H H 57 8.680 8.680 8.878 -0.198 19007 9673 1 18 . 1 1 58 58 HIS N N 58 129.590 129.590 127.958 1.632 19007 9674 1 18 . 1 1 58 58 HIS HA H 58 5.076 5.076 4.756 0.320 19007 9675 1 18 . 1 1 58 58 HIS C C 58 174.351 174.351 174.886 -0.535 19007 9676 1 18 . 1 1 58 58 HIS CA C 58 54.420 54.420 54.805 -0.385 19007 9677 1 18 . 1 1 58 58 HIS CB C 58 31.720 31.720 29.484 2.236 19007 9678 1 18 . 1 1 58 58 HIS H H 58 9.050 9.050 8.817 0.233 19007 9679 1 18 . 1 1 59 59 VAL N N 59 125.260 125.260 120.772 4.488 19007 9680 1 18 . 1 1 59 59 VAL HA H 59 4.408 4.408 4.374 0.034 19007 9681 1 18 . 1 1 59 59 VAL C C 59 174.460 174.460 175.473 -1.013 19007 9682 1 18 . 1 1 59 59 VAL CA C 59 62.370 62.370 60.805 1.565 19007 9683 1 18 . 1 1 59 59 VAL CB C 59 32.760 32.760 29.455 3.305 19007 9684 1 18 . 1 1 59 59 VAL H H 59 8.800 8.800 8.068 0.732 19007 9685 1 18 . 1 1 60 60 LYS N N 60 128.520 128.520 127.837 0.683 19007 9686 1 18 . 1 1 60 60 LYS HA H 60 4.909 4.909 4.400 0.509 19007 9687 1 18 . 1 1 60 60 LYS C C 60 175.825 175.825 175.970 -0.145 19007 9688 1 18 . 1 1 60 60 LYS CA C 60 54.450 54.450 56.339 -1.889 19007 9689 1 18 . 1 1 60 60 LYS CB C 60 32.490 32.490 30.655 1.835 19007 9690 1 18 . 1 1 60 60 LYS H H 60 9.040 9.040 8.103 0.937 19007 9691 1 18 . 1 1 61 61 LEU N N 61 121.430 121.430 121.049 0.381 19007 9692 1 18 . 1 1 61 61 LEU HA H 61 4.527 4.527 4.379 0.148 19007 9693 1 18 . 1 1 61 61 LEU C C 61 178.910 178.910 177.556 1.354 19007 9694 1 18 . 1 1 61 61 LEU CA C 61 54.410 54.410 56.206 -1.796 19007 9695 1 18 . 1 1 61 61 LEU CB C 61 44.330 44.330 43.161 1.169 19007 9696 1 18 . 1 1 61 61 LEU H H 61 8.700 8.700 8.231 0.469 19007 9697 1 18 . 1 1 62 62 GLY N N 62 110.520 110.520 104.718 5.802 19007 9698 1 18 . 1 1 62 62 GLY C C 62 175.350 175.350 173.705 1.645 19007 9699 1 18 . 1 1 62 62 GLY CA C 62 46.710 46.710 44.471 2.239 19007 9700 1 18 . 1 1 62 62 GLY H H 62 9.060 9.060 7.864 1.196 19007 9701 1 18 . 1 1 63 63 ASN N N 63 127.090 127.090 119.131 7.959 19007 9702 1 18 . 1 1 63 63 ASN HA H 63 4.778 4.778 4.400 0.378 19007 9703 1 18 . 1 1 63 63 ASN C C 63 174.214 174.214 175.621 -1.407 19007 9704 1 18 . 1 1 63 63 ASN CA C 63 52.910 52.910 54.097 -1.187 19007 9705 1 18 . 1 1 63 63 ASN CB C 63 38.100 38.100 37.193 0.907 19007 9706 1 18 . 1 1 63 63 ASN H H 63 10.390 10.390 8.681 1.709 19007 9707 1 18 . 1 1 64 64 ARG N N 64 121.850 121.850 117.113 4.737 19007 9708 1 18 . 1 1 64 64 ARG HA H 64 4.265 4.265 4.201 0.064 19007 9709 1 18 . 1 1 64 64 ARG C C 64 174.214 174.214 177.244 -3.030 19007 9710 1 18 . 1 1 64 64 ARG CA C 64 56.330 56.330 57.288 -0.959 19007 9711 1 18 . 1 1 64 64 ARG CB C 64 33.860 33.860 30.594 3.266 19007 9712 1 18 . 1 1 64 64 ARG H H 64 7.520 7.520 7.853 -0.333 19007 9713 1 18 . 1 1 65 65 PHE N N 65 127.760 127.760 119.621 8.139 19007 9714 1 18 . 1 1 65 65 PHE HA H 65 4.503 4.503 4.159 0.344 19007 9715 1 18 . 1 1 65 65 PHE C C 65 176.508 176.508 174.637 1.871 19007 9716 1 18 . 1 1 65 65 PHE CA C 65 56.760 56.760 58.897 -2.137 19007 9717 1 18 . 1 1 65 65 PHE CB C 65 40.430 40.430 37.851 2.579 19007 9718 1 18 . 1 1 65 65 PHE H H 65 8.580 8.580 8.833 -0.253 19007 9719 1 18 . 1 1 66 66 LEU N N 66 125.260 125.260 123.523 1.737 19007 9720 1 18 . 1 1 66 66 LEU HA H 66 4.288 4.288 4.205 0.083 19007 9721 1 18 . 1 1 66 66 LEU C C 66 176.508 176.508 176.643 -0.135 19007 9722 1 18 . 1 1 66 66 LEU CA C 66 53.080 53.080 53.307 -0.227 19007 9723 1 18 . 1 1 66 66 LEU CB C 66 43.170 43.170 43.438 -0.268 19007 9724 1 18 . 1 1 66 66 LEU H H 66 8.040 8.040 7.623 0.417 19007 9725 1 18 . 1 1 67 67 TYR N N 67 120.480 120.480 117.486 2.994 19007 9726 1 18 . 1 1 67 67 TYR HA H 67 4.515 4.515 4.570 -0.055 19007 9727 1 18 . 1 1 67 67 TYR C C 67 177.791 177.791 175.922 1.869 19007 9728 1 18 . 1 1 67 67 TYR CA C 67 58.120 58.120 54.769 3.351 19007 9729 1 18 . 1 1 67 67 TYR CB C 67 39.320 39.320 35.977 3.344 19007 9730 1 18 . 1 1 67 67 TYR H H 67 7.880 7.880 7.620 0.260 19007 9731 1 18 . 1 1 68 68 LYS N N 68 125.020 125.020 123.753 1.267 19007 9732 1 18 . 1 1 68 68 LYS HA H 68 4.034 4.034 4.263 -0.229 19007 9733 1 18 . 1 1 68 68 LYS C C 68 178.364 178.364 178.270 0.094 19007 9734 1 18 . 1 1 68 68 LYS CA C 68 60.130 60.130 58.985 1.145 19007 9735 1 18 . 1 1 68 68 LYS CB C 68 32.150 32.150 32.203 -0.053 19007 9736 1 18 . 1 1 68 68 LYS H H 68 9.120 9.120 7.718 1.402 19007 9737 1 18 . 1 1 69 69 GLU N N 69 116.430 116.430 118.754 -2.324 19007 9738 1 18 . 1 1 69 69 GLU HA H 69 4.133 4.133 4.018 0.115 19007 9739 1 18 . 1 1 69 69 GLU C C 69 179.538 179.538 178.977 0.561 19007 9740 1 18 . 1 1 69 69 GLU CA C 69 60.030 60.030 59.827 0.203 19007 9741 1 18 . 1 1 69 69 GLU CB C 69 28.560 28.560 28.927 -0.367 19007 9742 1 18 . 1 1 69 69 GLU H H 69 9.460 9.460 8.718 0.742 19007 9743 1 18 . 1 1 70 70 GLN N N 70 117.670 117.670 118.122 -0.452 19007 9744 1 18 . 1 1 70 70 GLN HA H 70 4.120 4.120 3.990 0.130 19007 9745 1 18 . 1 1 70 70 GLN C C 70 177.955 177.955 178.652 -0.697 19007 9746 1 18 . 1 1 70 70 GLN CA C 70 57.950 57.950 58.818 -0.868 19007 9747 1 18 . 1 1 70 70 GLN CB C 70 29.290 29.290 28.654 0.636 19007 9748 1 18 . 1 1 70 70 GLN H H 70 7.000 7.000 7.743 -0.743 19007 9749 1 18 . 1 1 71 71 GLU N N 71 120.850 120.850 120.036 0.814 19007 9750 1 18 . 1 1 71 71 GLU HA H 71 3.668 3.668 3.991 -0.323 19007 9751 1 18 . 1 1 71 71 GLU C C 71 179.429 179.429 179.372 0.057 19007 9752 1 18 . 1 1 71 71 GLU CA C 71 60.620 60.620 59.943 0.677 19007 9753 1 18 . 1 1 71 71 GLU CB C 71 29.660 29.660 29.511 0.149 19007 9754 1 18 . 1 1 71 71 GLU H H 71 8.080 8.080 7.817 0.263 19007 9755 1 18 . 1 1 72 72 GLU N N 72 119.670 119.670 119.110 0.560 19007 9756 1 18 . 1 1 72 72 GLU HA H 72 4.038 4.038 4.024 0.014 19007 9757 1 18 . 1 1 72 72 GLU C C 72 178.446 178.446 179.135 -0.689 19007 9758 1 18 . 1 1 72 72 GLU CA C 72 59.690 59.690 59.388 0.302 19007 9759 1 18 . 1 1 72 72 GLU CB C 72 29.350 29.350 29.242 0.108 19007 9760 1 18 . 1 1 72 72 GLU H H 72 8.390 8.390 8.601 -0.211 19007 9761 1 18 . 1 1 73 73 GLN N N 73 119.030 119.030 118.215 0.815 19007 9762 1 18 . 1 1 73 73 GLN HA H 73 4.110 4.110 4.067 0.043 19007 9763 1 18 . 1 1 73 73 GLN C C 73 179.320 179.320 178.649 0.671 19007 9764 1 18 . 1 1 73 73 GLN CA C 73 59.470 59.470 58.513 0.957 19007 9765 1 18 . 1 1 73 73 GLN CB C 73 29.480 29.480 28.115 1.365 19007 9766 1 18 . 1 1 73 73 GLN H H 73 7.730 7.730 8.206 -0.476 19007 9767 1 18 . 1 1 74 74 LEU N N 74 119.760 119.760 116.342 3.418 19007 9768 1 18 . 1 1 74 74 LEU HA H 74 3.918 3.918 4.362 -0.444 19007 9769 1 18 . 1 1 74 74 LEU C C 74 177.818 177.818 178.766 -0.948 19007 9770 1 18 . 1 1 74 74 LEU CA C 74 58.720 58.720 57.642 1.078 19007 9771 1 18 . 1 1 74 74 LEU CB C 74 42.890 42.890 41.638 1.252 19007 9772 1 18 . 1 1 74 74 LEU H H 74 8.290 8.290 7.485 0.805 19007 9773 1 18 . 1 1 75 75 THR N N 75 113.520 113.520 116.501 -2.981 19007 9774 1 18 . 1 1 75 75 THR HA H 75 3.680 3.680 3.964 -0.284 19007 9775 1 18 . 1 1 75 75 THR C C 75 176.480 176.480 176.425 0.055 19007 9776 1 18 . 1 1 75 75 THR CA C 75 66.990 66.990 66.823 0.167 19007 9777 1 18 . 1 1 75 75 THR CB C 75 68.640 68.640 68.300 0.340 19007 9778 1 18 . 1 1 75 75 THR H H 75 8.450 8.450 7.984 0.466 19007 9779 1 18 . 1 1 76 76 GLU N N 76 121.340 121.340 121.967 -0.627 19007 9780 1 18 . 1 1 76 76 GLU HA H 76 4.014 4.014 3.947 0.067 19007 9781 1 18 . 1 1 76 76 GLU C C 76 178.965 178.965 178.462 0.503 19007 9782 1 18 . 1 1 76 76 GLU CA C 76 59.190 59.190 59.521 -0.331 19007 9783 1 18 . 1 1 76 76 GLU CB C 76 29.590 29.590 29.323 0.267 19007 9784 1 18 . 1 1 76 76 GLU H H 76 8.330 8.330 8.318 0.012 19007 9785 1 18 . 1 1 77 77 LEU N N 77 120.170 120.170 117.990 2.180 19007 9786 1 18 . 1 1 77 77 LEU HA H 77 3.955 3.955 4.041 -0.086 19007 9787 1 18 . 1 1 77 77 LEU C C 77 180.057 180.057 178.475 1.582 19007 9788 1 18 . 1 1 77 77 LEU CA C 77 58.510 58.510 58.188 0.322 19007 9789 1 18 . 1 1 77 77 LEU CB C 77 42.716 42.716 42.203 0.513 19007 9790 1 18 . 1 1 77 77 LEU H H 77 7.560 7.560 7.461 0.099 19007 9791 1 18 . 1 1 78 78 ILE N N 78 119.930 119.930 116.834 3.096 19007 9792 1 18 . 1 1 78 78 ILE HA H 78 3.429 3.429 3.870 -0.441 19007 9793 1 18 . 1 1 78 78 ILE C C 78 176.043 176.043 177.735 -1.692 19007 9794 1 18 . 1 1 78 78 ILE CA C 78 65.740 65.740 63.057 2.683 19007 9795 1 18 . 1 1 78 78 ILE CB C 78 37.960 37.960 37.630 0.330 19007 9796 1 18 . 1 1 78 78 ILE H H 78 7.740 7.740 7.661 0.079 19007 9797 1 18 . 1 1 79 79 ALA N N 79 116.940 116.940 123.636 -6.696 19007 9798 1 18 . 1 1 79 79 ALA HA H 79 4.229 4.229 4.094 0.135 19007 9799 1 18 . 1 1 79 79 ALA C C 79 178.719 178.719 179.543 -0.824 19007 9800 1 18 . 1 1 79 79 ALA CA C 79 53.390 53.390 55.153 -1.763 19007 9801 1 18 . 1 1 79 79 ALA CB C 79 18.500 18.500 18.049 0.451 19007 9802 1 18 . 1 1 79 79 ALA H H 79 8.210 8.210 8.527 -0.317 19007 9803 1 18 . 1 1 80 80 SER N N 80 113.260 113.260 113.335 -0.075 19007 9804 1 18 . 1 1 80 80 SER HA H 80 4.253 4.253 4.295 -0.042 19007 9805 1 18 . 1 1 80 80 SER C C 80 174.869 174.869 175.194 -0.325 19007 9806 1 18 . 1 1 80 80 SER CA C 80 60.550 60.550 60.368 0.181 19007 9807 1 18 . 1 1 80 80 SER CB C 80 63.130 63.130 63.509 -0.379 19007 9808 1 18 . 1 1 80 80 SER H H 80 7.600 7.600 7.922 -0.322 19007 9809 1 18 . 1 1 81 81 LYS N N 81 123.510 123.510 118.654 4.856 19007 9810 1 18 . 1 1 81 81 LYS HA H 81 4.527 4.527 4.686 -0.159 19007 9811 1 18 . 1 1 81 81 LYS C C 81 176.289 176.289 175.083 1.206 19007 9812 1 18 . 1 1 81 81 LYS CA C 81 54.000 54.000 55.315 -1.315 19007 9813 1 18 . 1 1 81 81 LYS CB C 81 30.440 30.440 32.879 -2.439 19007 9814 1 18 . 1 1 81 81 LYS H H 81 7.690 7.690 7.747 -0.057 19007 9815 1 18 . 1 1 82 82 LYS N N 82 120.760 120.760 121.018 -0.258 19007 9816 1 18 . 1 1 82 82 LYS HA H 82 4.539 4.539 4.222 0.317 19007 9817 1 18 . 1 1 82 82 LYS C C 82 176.835 176.835 176.045 0.790 19007 9818 1 18 . 1 1 82 82 LYS CA C 82 59.090 59.090 56.921 2.169 19007 9819 1 18 . 1 1 82 82 LYS CB C 82 32.330 32.330 30.373 1.957 19007 9820 1 18 . 1 1 82 82 LYS H H 82 8.190 8.190 7.717 0.473 19007 9821 1 18 . 1 1 83 83 ASP N N 83 117.280 117.280 121.145 -3.865 19007 9822 1 18 . 1 1 83 83 ASP HA H 83 4.659 4.659 4.613 0.046 19007 9823 1 18 . 1 1 83 83 ASP C C 83 174.460 174.460 176.250 -1.790 19007 9824 1 18 . 1 1 83 83 ASP CA C 83 55.390 55.390 54.682 0.708 19007 9825 1 18 . 1 1 83 83 ASP CB C 83 40.680 40.680 41.379 -0.699 19007 9826 1 18 . 1 1 83 83 ASP H H 83 8.670 8.670 8.411 0.259 19007 9827 1 18 . 1 1 84 84 LEU N N 84 117.780 117.780 117.966 -0.186 19007 9828 1 18 . 1 1 84 84 LEU HA H 84 5.100 5.100 4.228 0.872 19007 9829 1 18 . 1 1 84 84 LEU C C 84 176.753 176.753 177.563 -0.810 19007 9830 1 18 . 1 1 84 84 LEU CA C 84 54.560 54.560 52.823 1.737 19007 9831 1 18 . 1 1 84 84 LEU CB C 84 43.690 43.690 41.917 1.773 19007 9832 1 18 . 1 1 84 84 LEU H H 84 7.640 7.640 7.553 0.087 19007 9833 1 18 . 1 1 85 85 PHE N N 85 117.610 117.610 120.753 -3.143 19007 9834 1 18 . 1 1 85 85 PHE HA H 85 4.754 4.754 4.569 0.185 19007 9835 1 18 . 1 1 85 85 PHE C C 85 173.204 173.204 174.609 -1.405 19007 9836 1 18 . 1 1 85 85 PHE CA C 85 56.400 56.400 57.457 -1.057 19007 9837 1 18 . 1 1 85 85 PHE CB C 85 42.000 42.000 37.477 4.523 19007 9838 1 18 . 1 1 85 85 PHE H H 85 8.280 8.280 8.299 -0.019 19007 9839 1 18 . 1 1 86 86 VAL N N 86 123.600 123.600 122.269 1.331 19007 9840 1 18 . 1 1 86 86 VAL HA H 86 3.882 3.882 4.784 -0.902 19007 9841 1 18 . 1 1 86 86 VAL C C 86 174.651 174.651 174.891 -0.240 19007 9842 1 18 . 1 1 86 86 VAL CA C 86 63.640 63.640 60.922 2.719 19007 9843 1 18 . 1 1 86 86 VAL CB C 86 31.440 31.440 33.899 -2.459 19007 9844 1 18 . 1 1 86 86 VAL H H 86 8.880 8.880 7.836 1.044 19007 9845 1 18 . 1 1 87 87 HIS N N 87 130.690 130.690 126.989 3.701 19007 9846 1 18 . 1 1 87 87 HIS HA H 87 4.420 4.420 4.776 -0.356 19007 9847 1 18 . 1 1 87 87 HIS C C 87 175.497 175.497 173.538 1.959 19007 9848 1 18 . 1 1 87 87 HIS CA C 87 58.090 58.090 55.743 2.346 19007 9849 1 18 . 1 1 87 87 HIS CB C 87 32.870 32.870 32.676 0.194 19007 9850 1 18 . 1 1 87 87 HIS H H 87 9.320 9.320 8.819 0.501 19007 9851 1 18 . 1 1 88 88 SER N N 88 109.280 109.280 121.616 -12.336 19007 9852 1 18 . 1 1 88 88 SER HA H 88 4.503 4.503 5.454 -0.951 19007 9853 1 18 . 1 1 88 88 SER C C 88 172.248 172.248 173.213 -0.965 19007 9854 1 18 . 1 1 88 88 SER CA C 88 57.560 57.560 57.004 0.556 19007 9855 1 18 . 1 1 88 88 SER CB C 88 64.890 64.890 65.148 -0.258 19007 9856 1 18 . 1 1 88 88 SER H H 88 7.370 7.370 8.279 -0.909 19007 9857 1 18 . 1 1 89 89 ILE N N 89 122.260 122.260 123.858 -1.598 19007 9858 1 18 . 1 1 89 89 ILE HA H 89 4.265 4.265 4.288 -0.023 19007 9859 1 18 . 1 1 89 89 ILE C C 89 174.569 174.569 173.107 1.462 19007 9860 1 18 . 1 1 89 89 ILE CA C 89 61.110 61.110 60.668 0.442 19007 9861 1 18 . 1 1 89 89 ILE CB C 89 39.960 39.960 41.295 -1.335 19007 9862 1 18 . 1 1 89 89 ILE H H 89 8.400 8.400 8.555 -0.155 19007 9863 1 18 . 1 1 90 90 ASP N N 90 126.690 126.690 127.413 -0.723 19007 9864 1 18 . 1 1 90 90 ASP HA H 90 5.064 5.064 5.419 -0.355 19007 9865 1 18 . 1 1 90 90 ASP C C 90 174.469 174.469 175.786 -1.317 19007 9866 1 18 . 1 1 90 90 ASP CA C 90 53.600 53.600 53.196 0.404 19007 9867 1 18 . 1 1 90 90 ASP CB C 90 44.230 44.230 42.973 1.257 19007 9868 1 18 . 1 1 90 90 ASP H H 90 8.800 8.800 8.501 0.299 19007 9869 1 18 . 1 1 91 91 SER N N 91 116.760 116.760 114.767 1.993 19007 9870 1 18 . 1 1 91 91 SER HA H 91 4.781 4.781 4.609 0.172 19007 9871 1 18 . 1 1 91 91 SER C C 91 173.164 173.164 173.461 -0.297 19007 9872 1 18 . 1 1 91 91 SER CA C 91 57.430 57.430 57.773 -0.343 19007 9873 1 18 . 1 1 91 91 SER CB C 91 65.250 65.250 63.616 1.634 19007 9874 1 18 . 1 1 91 91 SER H H 91 8.500 8.500 8.727 -0.227 19007 9875 1 18 . 1 1 92 92 GLU N N 92 123.420 123.420 122.075 1.345 19007 9876 1 18 . 1 1 92 92 GLU HA H 92 4.355 4.355 4.549 -0.194 19007 9877 1 18 . 1 1 92 92 GLU C C 92 176.419 176.419 176.285 0.134 19007 9878 1 18 . 1 1 92 92 GLU CA C 92 56.250 56.250 56.066 0.184 19007 9879 1 18 . 1 1 92 92 GLU CB C 92 30.730 30.730 29.769 0.961 19007 9880 1 18 . 1 1 92 92 GLU H H 92 8.620 8.620 7.777 0.843 19007 9881 1 18 . 1 1 93 93 VAL N N 93 122.090 122.090 121.230 0.860 19007 9882 1 18 . 1 1 93 93 VAL HA H 93 4.105 4.105 4.156 -0.051 19007 9883 1 18 . 1 1 93 93 VAL CA C 93 62.240 62.240 61.966 0.274 19007 9884 1 18 . 1 1 93 93 VAL CB C 93 32.860 32.860 32.808 0.052 19007 9885 1 18 . 1 1 93 93 VAL H H 93 8.220 8.220 8.671 -0.451 19007 9886 1 18 . 1 1 96 96 LYS HA H 96 4.079 4.079 4.516 -0.437 19007 9887 1 18 . 1 1 96 96 LYS C C 96 176.053 176.053 175.511 0.542 19007 9888 1 18 . 1 1 96 96 LYS CA C 96 62.497 62.497 55.561 6.936 19007 9889 1 18 . 1 1 96 96 LYS CB C 96 32.776 32.776 33.106 -0.330 19007 9890 1 18 . 1 1 97 97 LYS N N 97 126.170 126.170 119.500 6.670 19007 9891 1 18 . 1 1 97 97 LYS HA H 97 4.300 4.300 4.485 -0.185 19007 9892 1 18 . 1 1 97 97 LYS C C 97 176.665 176.665 175.169 1.496 19007 9893 1 18 . 1 1 97 97 LYS CA C 97 56.730 56.730 55.305 1.425 19007 9894 1 18 . 1 1 97 97 LYS CB C 97 33.020 33.020 34.594 -1.574 19007 9895 1 18 . 1 1 97 97 LYS H H 97 8.500 8.500 8.250 0.250 19007 9896 1 18 . 1 1 98 98 GLU N N 98 122.020 122.020 122.726 -0.706 19007 9897 1 18 . 1 1 98 98 GLU HA H 98 4.226 4.226 4.456 -0.230 19007 9898 1 18 . 1 1 98 98 GLU C C 98 176.382 176.382 176.521 -0.139 19007 9899 1 18 . 1 1 98 98 GLU CA C 98 56.890 56.890 55.841 1.049 19007 9900 1 18 . 1 1 98 98 GLU CB C 98 30.410 30.410 29.653 0.757 19007 9901 1 18 . 1 1 98 98 GLU H H 98 8.470 8.470 8.822 -0.352 19007 9902 1 18 . 1 1 99 99 ALA N N 99 124.770 124.770 130.423 -5.653 19007 9903 1 18 . 1 1 99 99 ALA HA H 99 4.281 4.281 4.449 -0.168 19007 9904 1 18 . 1 1 99 99 ALA C C 99 177.723 177.723 176.668 1.055 19007 9905 1 18 . 1 1 99 99 ALA CA C 99 52.880 52.880 51.647 1.233 19007 9906 1 18 . 1 1 99 99 ALA CB C 99 19.320 19.320 18.326 0.994 19007 9907 1 18 . 1 1 99 99 ALA H H 99 8.310 8.310 8.706 -0.396 19007 9908 1 18 . 1 1 100 100 GLN N N 100 119.190 119.190 119.502 -0.312 19007 9909 1 18 . 1 1 100 100 GLN HA H 100 4.266 4.266 4.447 -0.181 19007 9910 1 18 . 1 1 100 100 GLN CA C 100 56.000 56.000 54.970 1.030 19007 9911 1 18 . 1 1 100 100 GLN CB C 100 29.970 29.970 30.075 -0.105 19007 9912 1 18 . 1 1 100 100 GLN H H 100 8.280 8.280 7.773 0.507 19007 9913 1 18 . 1 1 101 101 GLN N N 101 120.421 120.421 124.659 -4.238 19007 9914 1 18 . 1 1 101 101 GLN HA H 101 4.650 4.650 4.436 0.214 19007 9915 1 18 . 1 1 101 101 GLN C C 101 175.725 175.725 174.847 0.878 19007 9916 1 18 . 1 1 101 101 GLN CA C 101 56.073 56.073 55.512 0.561 19007 9917 1 18 . 1 1 101 101 GLN CB C 101 29.524 29.524 27.510 2.014 19007 9918 1 18 . 1 1 101 101 GLN H H 101 8.114 8.114 8.645 -0.531 19007 9919 1 18 . 1 1 102 102 ILE N N 102 122.940 122.940 124.754 -1.814 19007 9920 1 18 . 1 1 102 102 ILE HA H 102 4.119 4.119 4.409 -0.290 19007 9921 1 18 . 1 1 102 102 ILE C C 102 175.916 175.916 174.721 1.195 19007 9922 1 18 . 1 1 102 102 ILE CA C 102 61.260 61.260 61.026 0.234 19007 9923 1 18 . 1 1 102 102 ILE CB C 102 38.790 38.790 38.348 0.442 19007 9924 1 18 . 1 1 102 102 ILE H H 102 8.240 8.240 7.821 0.419 19007 9925 1 18 . 1 1 103 103 ARG N N 103 125.780 125.780 128.018 -2.238 19007 9926 1 18 . 1 1 103 103 ARG HA H 103 4.369 4.369 4.660 -0.291 19007 9927 1 18 . 1 1 103 103 ARG C C 103 175.752 175.752 176.116 -0.364 19007 9928 1 18 . 1 1 103 103 ARG CA C 103 55.940 55.940 56.246 -0.306 19007 9929 1 18 . 1 1 103 103 ARG CB C 103 31.340 31.340 31.939 -0.599 19007 9930 1 18 . 1 1 103 103 ARG H H 103 8.400 8.400 8.623 -0.223 19007 9931 1 18 . 1 1 104 104 GLU N N 104 123.840 123.840 122.220 1.620 19007 9932 1 18 . 1 1 104 104 GLU HA H 104 4.296 4.296 4.390 -0.094 19007 9933 1 18 . 1 1 104 104 GLU C C 104 175.314 175.314 176.350 -1.036 19007 9934 1 18 . 1 1 104 104 GLU CA C 104 56.430 56.430 56.758 -0.327 19007 9935 1 18 . 1 1 104 104 GLU CB C 104 30.560 30.560 29.834 0.726 19007 9936 1 18 . 1 1 104 104 GLU H H 104 8.510 8.510 8.755 -0.245 19007 9937 1 19 . 1 1 6 6 THR HA H 6 4.321 4.321 4.302 0.019 19007 9938 1 19 . 1 1 6 6 THR C C 6 174.339 174.339 174.800 -0.461 19007 9939 1 19 . 1 1 6 6 THR CA C 6 62.139 62.139 61.517 0.622 19007 9940 1 19 . 1 1 6 6 THR CB C 6 69.788 69.788 69.514 0.274 19007 9941 1 19 . 1 1 7 7 LYS N N 7 124.350 124.350 119.984 4.366 19007 9942 1 19 . 1 1 7 7 LYS HA H 7 4.265 4.265 4.356 -0.091 19007 9943 1 19 . 1 1 7 7 LYS C C 7 176.341 176.341 175.562 0.779 19007 9944 1 19 . 1 1 7 7 LYS CA C 7 56.980 56.980 56.264 0.716 19007 9945 1 19 . 1 1 7 7 LYS CB C 7 33.110 33.110 32.836 0.274 19007 9946 1 19 . 1 1 7 7 LYS H H 7 8.320 8.320 8.366 -0.046 19007 9947 1 19 . 1 1 8 8 LYS N N 8 123.170 123.170 120.867 2.303 19007 9948 1 19 . 1 1 8 8 LYS HA H 8 4.253 4.253 4.480 -0.227 19007 9949 1 19 . 1 1 8 8 LYS C C 8 176.083 176.083 175.675 0.408 19007 9950 1 19 . 1 1 8 8 LYS CA C 8 56.450 56.450 55.613 0.837 19007 9951 1 19 . 1 1 8 8 LYS CB C 8 33.480 33.480 34.485 -1.005 19007 9952 1 19 . 1 1 8 8 LYS H H 8 8.340 8.340 8.578 -0.238 19007 9953 1 19 . 1 1 9 9 GLN N N 9 123.010 123.010 118.979 4.031 19007 9954 1 19 . 1 1 9 9 GLN HA H 9 4.289 4.289 4.399 -0.110 19007 9955 1 19 . 1 1 9 9 GLN C C 9 174.914 174.914 175.150 -0.236 19007 9956 1 19 . 1 1 9 9 GLN CA C 9 56.520 56.520 56.818 -0.298 19007 9957 1 19 . 1 1 9 9 GLN CB C 9 30.790 30.790 29.276 1.514 19007 9958 1 19 . 1 1 9 9 GLN H H 9 8.440 8.440 8.434 0.006 19007 9959 1 19 . 1 1 10 10 GLN N N 10 121.180 121.180 118.085 3.095 19007 9960 1 19 . 1 1 10 10 GLN HA H 10 4.769 4.769 4.875 -0.106 19007 9961 1 19 . 1 1 10 10 GLN C C 10 175.865 175.865 174.941 0.924 19007 9962 1 19 . 1 1 10 10 GLN CA C 10 55.580 55.580 54.986 0.594 19007 9963 1 19 . 1 1 10 10 GLN CB C 10 29.630 29.630 31.375 -1.744 19007 9964 1 19 . 1 1 10 10 GLN H H 10 8.170 8.170 7.922 0.248 19007 9965 1 19 . 1 1 11 11 TYR N N 11 120.110 120.110 121.831 -1.721 19007 9966 1 19 . 1 1 11 11 TYR HA H 11 4.769 4.769 4.611 0.158 19007 9967 1 19 . 1 1 11 11 TYR C C 11 174.319 174.319 173.060 1.259 19007 9968 1 19 . 1 1 11 11 TYR CA C 11 58.490 58.490 57.510 0.980 19007 9969 1 19 . 1 1 11 11 TYR CB C 11 39.350 39.350 42.480 -3.130 19007 9970 1 19 . 1 1 11 11 TYR H H 11 8.470 8.470 8.520 -0.050 19007 9971 1 19 . 1 1 12 12 VAL N N 12 117.030 117.030 121.480 -4.450 19007 9972 1 19 . 1 1 12 12 VAL HA H 12 4.793 4.793 5.056 -0.263 19007 9973 1 19 . 1 1 12 12 VAL C C 12 174.636 174.636 173.742 0.894 19007 9974 1 19 . 1 1 12 12 VAL CA C 12 60.730 60.730 60.713 0.017 19007 9975 1 19 . 1 1 12 12 VAL CB C 12 34.790 34.790 34.881 -0.091 19007 9976 1 19 . 1 1 12 12 VAL H H 12 7.590 7.590 8.546 -0.956 19007 9977 1 19 . 1 1 13 13 THR N N 13 121.770 121.770 123.358 -1.588 19007 9978 1 19 . 1 1 13 13 THR HA H 13 4.615 4.615 4.573 0.042 19007 9979 1 19 . 1 1 13 13 THR C C 13 173.030 173.030 172.332 0.698 19007 9980 1 19 . 1 1 13 13 THR CA C 13 61.540 61.540 61.552 -0.012 19007 9981 1 19 . 1 1 13 13 THR CB C 13 71.050 71.050 71.568 -0.518 19007 9982 1 19 . 1 1 13 13 THR H H 13 8.620 8.620 8.263 0.357 19007 9983 1 19 . 1 1 14 14 ILE N N 14 126.190 126.190 124.466 1.724 19007 9984 1 19 . 1 1 14 14 ILE HA H 14 4.781 4.781 4.359 0.422 19007 9985 1 19 . 1 1 14 14 ILE C C 14 175.112 175.112 174.811 0.301 19007 9986 1 19 . 1 1 14 14 ILE CA C 14 61.120 61.120 60.181 0.939 19007 9987 1 19 . 1 1 14 14 ILE CB C 14 40.340 40.340 40.666 -0.326 19007 9988 1 19 . 1 1 14 14 ILE H H 14 8.890 8.890 8.463 0.427 19007 9989 1 19 . 1 1 15 15 LYS N N 15 127.020 127.020 128.227 -1.207 19007 9990 1 19 . 1 1 15 15 LYS HA H 15 4.734 4.734 4.678 0.056 19007 9991 1 19 . 1 1 15 15 LYS C C 15 175.409 175.409 174.860 0.549 19007 9992 1 19 . 1 1 15 15 LYS CA C 15 54.740 54.740 55.730 -0.990 19007 9993 1 19 . 1 1 15 15 LYS CB C 15 35.430 35.430 35.048 0.382 19007 9994 1 19 . 1 1 15 15 LYS H H 15 8.850 8.850 8.886 -0.036 19007 9995 1 19 . 1 1 16 16 GLY N N 16 112.120 112.120 113.036 -0.916 19007 9996 1 19 . 1 1 16 16 GLY C C 16 172.566 172.566 173.146 -0.580 19007 9997 1 19 . 1 1 16 16 GLY CA C 16 45.560 45.560 45.332 0.228 19007 9998 1 19 . 1 1 16 16 GLY H H 16 8.870 8.870 8.578 0.292 19007 9999 1 19 . 1 1 17 17 THR N N 17 114.520 114.520 114.903 -0.383 19007 10000 1 19 . 1 1 17 17 THR HA H 17 4.753 4.753 4.485 0.268 19007 10001 1 19 . 1 1 17 17 THR CA C 17 60.360 60.360 61.913 -1.553 19007 10002 1 19 . 1 1 17 17 THR CB C 17 72.040 72.040 70.209 1.831 19007 10003 1 19 . 1 1 17 17 THR H H 17 8.380 8.380 7.707 0.673 19007 10004 1 19 . 1 1 19 19 ASN HA H 19 4.778 4.778 4.825 -0.047 19007 10005 1 19 . 1 1 19 19 ASN C C 19 174.616 174.616 174.357 0.259 19007 10006 1 19 . 1 1 19 19 ASN CA C 19 53.700 53.700 52.662 1.038 19007 10007 1 19 . 1 1 19 19 ASN CB C 19 39.018 39.018 40.959 -1.941 19007 10008 1 19 . 1 1 20 20 GLY N N 20 108.600 108.600 108.170 0.430 19007 10009 1 19 . 1 1 20 20 GLY C C 20 172.297 172.297 173.365 -1.068 19007 10010 1 19 . 1 1 20 20 GLY CA C 20 46.310 46.310 45.695 0.615 19007 10011 1 19 . 1 1 20 20 GLY H H 20 7.590 7.590 8.455 -0.865 19007 10012 1 19 . 1 1 21 21 LEU N N 21 123.210 123.210 121.730 1.480 19007 10013 1 19 . 1 1 21 21 LEU HA H 21 5.015 5.015 4.865 0.150 19007 10014 1 19 . 1 1 21 21 LEU C C 21 176.202 176.202 174.814 1.388 19007 10015 1 19 . 1 1 21 21 LEU CA C 21 54.090 54.090 55.548 -1.458 19007 10016 1 19 . 1 1 21 21 LEU CB C 21 45.940 45.940 44.679 1.261 19007 10017 1 19 . 1 1 21 21 LEU H H 21 8.760 8.760 8.246 0.514 19007 10018 1 19 . 1 1 22 22 THR N N 22 120.430 120.430 124.631 -4.201 19007 10019 1 19 . 1 1 22 22 THR HA H 22 5.191 5.191 5.045 0.146 19007 10020 1 19 . 1 1 22 22 THR C C 22 172.852 172.852 173.254 -0.402 19007 10021 1 19 . 1 1 22 22 THR CA C 22 61.850 61.850 61.621 0.229 19007 10022 1 19 . 1 1 22 22 THR CB C 22 69.800 69.800 69.508 0.292 19007 10023 1 19 . 1 1 22 22 THR H H 22 9.150 9.150 9.062 0.088 19007 10024 1 19 . 1 1 23 23 LEU N N 23 127.110 127.110 123.013 4.097 19007 10025 1 19 . 1 1 23 23 LEU HA H 23 4.910 4.910 5.411 -0.501 19007 10026 1 19 . 1 1 23 23 LEU C C 23 174.200 174.200 174.363 -0.163 19007 10027 1 19 . 1 1 23 23 LEU CA C 23 52.770 52.770 53.783 -1.013 19007 10028 1 19 . 1 1 23 23 LEU CB C 23 44.220 44.220 45.478 -1.258 19007 10029 1 19 . 1 1 23 23 LEU H H 23 8.870 8.870 8.007 0.863 19007 10030 1 19 . 1 1 24 24 HIS N N 24 124.600 124.600 113.994 10.606 19007 10031 1 19 . 1 1 24 24 HIS HA H 24 4.875 4.875 5.722 -0.847 19007 10032 1 19 . 1 1 24 24 HIS C C 24 174.033 174.033 172.952 1.081 19007 10033 1 19 . 1 1 24 24 HIS CA C 24 56.000 56.000 54.856 1.144 19007 10034 1 19 . 1 1 24 24 HIS CB C 24 30.400 30.400 32.898 -2.498 19007 10035 1 19 . 1 1 24 24 HIS H H 24 9.160 9.160 8.676 0.484 19007 10036 1 19 . 1 1 25 25 LEU N N 25 125.950 125.950 124.892 1.058 19007 10037 1 19 . 1 1 25 25 LEU HA H 25 4.382 4.382 4.942 -0.560 19007 10038 1 19 . 1 1 25 25 LEU C C 25 175.806 175.806 174.613 1.193 19007 10039 1 19 . 1 1 25 25 LEU CA C 25 53.250 53.250 53.693 -0.443 19007 10040 1 19 . 1 1 25 25 LEU CB C 25 41.030 41.030 45.698 -4.668 19007 10041 1 19 . 1 1 25 25 LEU H H 25 8.420 8.420 8.445 -0.025 19007 10042 1 19 . 1 1 26 26 ASP N N 26 126.170 126.170 127.490 -1.320 19007 10043 1 19 . 1 1 26 26 ASP HA H 26 4.344 4.344 5.285 -0.941 19007 10044 1 19 . 1 1 26 26 ASP C C 26 176.302 176.302 174.193 2.109 19007 10045 1 19 . 1 1 26 26 ASP CA C 26 56.480 56.480 53.955 2.525 19007 10046 1 19 . 1 1 26 26 ASP CB C 26 43.880 43.880 42.013 1.867 19007 10047 1 19 . 1 1 26 26 ASP H H 26 8.630 8.630 9.115 -0.485 19007 10048 1 19 . 1 1 27 27 ASP N N 27 122.430 122.430 121.649 0.781 19007 10049 1 19 . 1 1 27 27 ASP HA H 27 4.540 4.540 4.719 -0.179 19007 10050 1 19 . 1 1 27 27 ASP C C 27 176.381 176.381 174.373 2.008 19007 10051 1 19 . 1 1 27 27 ASP CA C 27 54.060 54.060 53.593 0.467 19007 10052 1 19 . 1 1 27 27 ASP CB C 27 40.820 40.820 43.947 -3.127 19007 10053 1 19 . 1 1 27 27 ASP H H 27 8.150 8.150 7.681 0.469 19007 10054 1 19 . 1 1 28 28 ALA N N 28 123.520 123.520 126.692 -3.172 19007 10055 1 19 . 1 1 28 28 ALA HA H 28 4.600 4.600 4.631 -0.031 19007 10056 1 19 . 1 1 28 28 ALA C C 28 178.324 178.324 177.806 0.518 19007 10057 1 19 . 1 1 28 28 ALA CA C 28 52.860 52.860 51.423 1.437 19007 10058 1 19 . 1 1 28 28 ALA CB C 28 20.790 20.790 20.325 0.465 19007 10059 1 19 . 1 1 28 28 ALA H H 28 8.480 8.480 8.458 0.022 19007 10060 1 19 . 1 1 29 29 CYS N N 29 115.580 115.580 116.907 -1.327 19007 10061 1 19 . 1 1 29 29 CYS HA H 29 4.680 4.680 4.229 0.451 19007 10062 1 19 . 1 1 29 29 CYS C C 29 174.696 174.696 173.652 1.044 19007 10063 1 19 . 1 1 29 29 CYS CA C 29 56.060 56.060 59.960 -3.900 19007 10064 1 19 . 1 1 29 29 CYS CB C 29 29.050 29.050 24.547 4.503 19007 10065 1 19 . 1 1 29 29 CYS H H 29 7.510 7.510 8.363 -0.853 19007 10066 1 19 . 1 1 30 30 SER N N 30 119.090 119.090 112.931 6.159 19007 10067 1 19 . 1 1 30 30 SER HA H 30 4.500 4.500 4.663 -0.163 19007 10068 1 19 . 1 1 30 30 SER CA C 30 58.370 58.370 56.892 1.478 19007 10069 1 19 . 1 1 30 30 SER CB C 30 64.170 64.170 66.300 -2.130 19007 10070 1 19 . 1 1 30 30 SER H H 30 9.170 9.170 7.848 1.322 19007 10071 1 19 . 1 1 31 31 PHE HA H 31 4.041 4.041 4.732 -0.691 19007 10072 1 19 . 1 1 31 31 PHE C C 31 176.440 176.440 176.530 -0.090 19007 10073 1 19 . 1 1 31 31 PHE CA C 31 62.491 62.491 56.610 5.881 19007 10074 1 19 . 1 1 31 31 PHE CB C 31 39.018 39.018 40.910 -1.892 19007 10075 1 19 . 1 1 32 32 ASP N N 32 116.020 116.020 126.161 -10.141 19007 10076 1 19 . 1 1 32 32 ASP HA H 32 4.139 4.139 4.601 -0.462 19007 10077 1 19 . 1 1 32 32 ASP C C 32 178.978 178.978 176.420 2.558 19007 10078 1 19 . 1 1 32 32 ASP CA C 32 57.670 57.670 53.844 3.826 19007 10079 1 19 . 1 1 32 32 ASP CB C 32 40.290 40.290 38.986 1.304 19007 10080 1 19 . 1 1 32 32 ASP H H 32 8.370 8.370 8.897 -0.527 19007 10081 1 19 . 1 1 33 33 GLU N N 33 120.170 120.170 121.307 -1.137 19007 10082 1 19 . 1 1 33 33 GLU HA H 33 4.149 4.149 4.092 0.057 19007 10083 1 19 . 1 1 33 33 GLU C C 33 179.256 179.256 178.638 0.618 19007 10084 1 19 . 1 1 33 33 GLU CA C 33 58.810 58.810 59.265 -0.455 19007 10085 1 19 . 1 1 33 33 GLU CB C 33 29.510 29.510 29.622 -0.112 19007 10086 1 19 . 1 1 33 33 GLU H H 33 7.560 7.560 8.093 -0.533 19007 10087 1 19 . 1 1 34 34 LEU N N 34 121.930 121.930 118.796 3.134 19007 10088 1 19 . 1 1 34 34 LEU HA H 34 3.755 3.755 4.038 -0.283 19007 10089 1 19 . 1 1 34 34 LEU C C 34 178.205 178.205 178.504 -0.299 19007 10090 1 19 . 1 1 34 34 LEU CA C 34 57.910 57.910 57.299 0.611 19007 10091 1 19 . 1 1 34 34 LEU CB C 34 41.980 41.980 41.769 0.211 19007 10092 1 19 . 1 1 34 34 LEU H H 34 7.730 7.730 8.245 -0.515 19007 10093 1 19 . 1 1 35 35 LEU N N 35 118.190 118.190 119.916 -1.726 19007 10094 1 19 . 1 1 35 35 LEU HA H 35 3.575 3.575 3.920 -0.345 19007 10095 1 19 . 1 1 35 35 LEU C C 35 179.295 179.295 178.392 0.903 19007 10096 1 19 . 1 1 35 35 LEU CA C 35 57.990 57.990 57.696 0.294 19007 10097 1 19 . 1 1 35 35 LEU CB C 35 40.900 40.900 41.876 -0.976 19007 10098 1 19 . 1 1 35 35 LEU H H 35 7.880 7.880 7.409 0.471 19007 10099 1 19 . 1 1 36 36 ASP N N 36 118.760 118.760 118.623 0.137 19007 10100 1 19 . 1 1 36 36 ASP HA H 36 4.308 4.308 4.329 -0.021 19007 10101 1 19 . 1 1 36 36 ASP C C 36 178.819 178.819 178.648 0.171 19007 10102 1 19 . 1 1 36 36 ASP CA C 36 57.570 57.570 57.729 -0.159 19007 10103 1 19 . 1 1 36 36 ASP CB C 36 41.500 41.500 40.518 0.982 19007 10104 1 19 . 1 1 36 36 ASP H H 36 7.580 7.580 8.261 -0.681 19007 10105 1 19 . 1 1 37 37 GLY N N 37 107.520 107.520 108.303 -0.783 19007 10106 1 19 . 1 1 37 37 GLY C C 37 176.678 176.678 176.434 0.244 19007 10107 1 19 . 1 1 37 37 GLY CA C 37 47.340 47.340 47.125 0.215 19007 10108 1 19 . 1 1 37 37 GLY H H 37 8.210 8.210 7.929 0.281 19007 10109 1 19 . 1 1 38 38 LEU N N 38 123.680 123.680 122.912 0.768 19007 10110 1 19 . 1 1 38 38 LEU HA H 38 4.007 4.007 4.036 -0.029 19007 10111 1 19 . 1 1 38 38 LEU C C 38 177.769 177.769 179.055 -1.286 19007 10112 1 19 . 1 1 38 38 LEU CA C 38 57.970 57.970 57.522 0.448 19007 10113 1 19 . 1 1 38 38 LEU CB C 38 42.250 42.250 41.147 1.103 19007 10114 1 19 . 1 1 38 38 LEU H H 38 8.800 8.800 7.717 1.083 19007 10115 1 19 . 1 1 39 39 GLN N N 39 118.840 118.840 118.706 0.134 19007 10116 1 19 . 1 1 39 39 GLN HA H 39 3.887 3.887 3.865 0.022 19007 10117 1 19 . 1 1 39 39 GLN C C 39 178.443 178.443 178.840 -0.397 19007 10118 1 19 . 1 1 39 39 GLN CA C 39 59.450 59.450 59.658 -0.208 19007 10119 1 19 . 1 1 39 39 GLN CB C 39 28.400 28.400 28.350 0.050 19007 10120 1 19 . 1 1 39 39 GLN H H 39 8.460 8.460 8.158 0.302 19007 10121 1 19 . 1 1 40 40 ASN N N 40 116.110 116.110 118.682 -2.572 19007 10122 1 19 . 1 1 40 40 ASN HA H 40 4.488 4.488 4.445 0.043 19007 10123 1 19 . 1 1 40 40 ASN C C 40 177.491 177.491 177.572 -0.081 19007 10124 1 19 . 1 1 40 40 ASN CA C 40 56.330 56.330 56.372 -0.042 19007 10125 1 19 . 1 1 40 40 ASN CB C 40 39.230 39.230 38.547 0.683 19007 10126 1 19 . 1 1 40 40 ASN H H 40 7.810 7.810 8.050 -0.240 19007 10127 1 19 . 1 1 41 41 MET N N 41 119.840 119.840 121.128 -1.288 19007 10128 1 19 . 1 1 41 41 MET HA H 41 4.344 4.344 4.067 0.277 19007 10129 1 19 . 1 1 41 41 MET C C 41 177.551 177.551 178.223 -0.672 19007 10130 1 19 . 1 1 41 41 MET CA C 41 58.140 58.140 59.327 -1.187 19007 10131 1 19 . 1 1 41 41 MET CB C 41 32.600 32.600 32.649 -0.049 19007 10132 1 19 . 1 1 41 41 MET H H 41 8.060 8.060 8.155 -0.095 19007 10133 1 19 . 1 1 42 42 LEU N N 42 116.680 116.680 118.636 -1.956 19007 10134 1 19 . 1 1 42 42 LEU HA H 42 4.236 4.236 3.910 0.326 19007 10135 1 19 . 1 1 42 42 LEU C C 42 177.055 177.055 179.231 -2.176 19007 10136 1 19 . 1 1 42 42 LEU CA C 42 55.850 55.850 57.931 -2.081 19007 10137 1 19 . 1 1 42 42 LEU CB C 42 41.490 41.490 41.460 0.030 19007 10138 1 19 . 1 1 42 42 LEU H H 42 8.280 8.280 8.672 -0.392 19007 10139 1 19 . 1 1 43 43 SER N N 43 113.420 113.420 114.178 -0.758 19007 10140 1 19 . 1 1 43 43 SER HA H 43 4.452 4.452 4.287 0.165 19007 10141 1 19 . 1 1 43 43 SER C C 43 174.755 174.755 175.702 -0.947 19007 10142 1 19 . 1 1 43 43 SER CA C 43 59.340 59.340 61.651 -2.312 19007 10143 1 19 . 1 1 43 43 SER CB C 43 63.580 63.580 63.443 0.138 19007 10144 1 19 . 1 1 43 43 SER H H 43 7.650 7.650 7.834 -0.184 19007 10145 1 19 . 1 1 44 44 ILE N N 44 120.390 120.390 118.554 1.836 19007 10146 1 19 . 1 1 44 44 ILE HA H 44 4.188 4.188 3.976 0.212 19007 10147 1 19 . 1 1 44 44 ILE C C 44 176.440 176.440 176.645 -0.205 19007 10148 1 19 . 1 1 44 44 ILE CA C 44 61.500 61.500 63.065 -1.565 19007 10149 1 19 . 1 1 44 44 ILE CB C 44 38.640 38.640 38.286 0.354 19007 10150 1 19 . 1 1 44 44 ILE H H 44 7.590 7.590 7.627 -0.037 19007 10151 1 19 . 1 1 45 45 GLU N N 45 118.850 118.850 119.619 -0.769 19007 10152 1 19 . 1 1 45 45 GLU HA H 45 4.272 4.272 4.250 0.022 19007 10153 1 19 . 1 1 45 45 GLU C C 45 176.698 176.698 176.687 0.011 19007 10154 1 19 . 1 1 45 45 GLU CA C 45 61.950 61.950 58.383 3.567 19007 10155 1 19 . 1 1 45 45 GLU CB C 45 29.840 29.840 31.151 -1.311 19007 10156 1 19 . 1 1 45 45 GLU H H 45 8.200 8.200 7.932 0.268 19007 10157 1 19 . 1 1 46 46 GLN N N 46 118.260 118.260 112.086 6.174 19007 10158 1 19 . 1 1 46 46 GLN HA H 46 4.212 4.212 4.465 -0.253 19007 10159 1 19 . 1 1 46 46 GLN C C 46 176.361 176.361 174.095 2.266 19007 10160 1 19 . 1 1 46 46 GLN CA C 46 56.770 56.770 55.159 1.611 19007 10161 1 19 . 1 1 46 46 GLN CB C 46 28.920 28.920 31.323 -2.403 19007 10162 1 19 . 1 1 46 46 GLN H H 46 8.270 8.270 8.281 -0.011 19007 10163 1 19 . 1 1 47 47 TYR N N 47 117.690 117.690 113.728 3.962 19007 10164 1 19 . 1 1 47 47 TYR HA H 47 4.701 4.701 4.818 -0.117 19007 10165 1 19 . 1 1 47 47 TYR C C 47 175.588 175.588 174.622 0.966 19007 10166 1 19 . 1 1 47 47 TYR CA C 47 58.290 58.290 57.973 0.317 19007 10167 1 19 . 1 1 47 47 TYR CB C 47 39.250 39.250 39.887 -0.637 19007 10168 1 19 . 1 1 47 47 TYR H H 47 7.980 7.980 8.086 -0.106 19007 10169 1 19 . 1 1 48 48 THR N N 48 108.930 108.930 118.526 -9.596 19007 10170 1 19 . 1 1 48 48 THR HA H 48 4.464 4.464 4.320 0.144 19007 10171 1 19 . 1 1 48 48 THR C C 48 176.381 176.381 174.901 1.480 19007 10172 1 19 . 1 1 48 48 THR CA C 48 61.150 61.150 62.400 -1.250 19007 10173 1 19 . 1 1 48 48 THR CB C 48 70.190 70.190 67.915 2.276 19007 10174 1 19 . 1 1 48 48 THR H H 48 7.570 7.570 7.356 0.214 19007 10175 1 19 . 1 1 49 49 ASP N N 49 121.350 121.350 125.708 -4.358 19007 10176 1 19 . 1 1 49 49 ASP HA H 49 4.752 4.752 4.447 0.304 19007 10177 1 19 . 1 1 49 49 ASP C C 49 177.015 177.015 177.239 -0.224 19007 10178 1 19 . 1 1 49 49 ASP CA C 49 53.710 53.710 55.417 -1.707 19007 10179 1 19 . 1 1 49 49 ASP CB C 49 41.200 41.200 41.125 0.075 19007 10180 1 19 . 1 1 49 49 ASP H H 49 8.100 8.100 8.082 0.018 19007 10181 1 19 . 1 1 50 50 GLY N N 50 112.360 112.360 107.434 4.926 19007 10182 1 19 . 1 1 50 50 GLY C C 50 175.449 175.449 174.242 1.207 19007 10183 1 19 . 1 1 50 50 GLY CA C 50 46.000 46.000 44.785 1.216 19007 10184 1 19 . 1 1 50 50 GLY H H 50 9.080 9.080 8.598 0.482 19007 10185 1 19 . 1 1 51 51 LYS N N 51 119.510 119.510 120.702 -1.192 19007 10186 1 19 . 1 1 51 51 LYS HA H 51 4.200 4.200 4.537 -0.337 19007 10187 1 19 . 1 1 51 51 LYS C C 51 177.214 177.214 175.400 1.814 19007 10188 1 19 . 1 1 51 51 LYS CA C 51 56.540 56.540 55.363 1.177 19007 10189 1 19 . 1 1 51 51 LYS CB C 51 31.420 31.420 32.972 -1.552 19007 10190 1 19 . 1 1 51 51 LYS H H 51 8.590 8.590 8.476 0.114 19007 10191 1 19 . 1 1 52 52 GLY N N 52 108.180 108.180 110.150 -1.970 19007 10192 1 19 . 1 1 52 52 GLY C C 52 174.279 174.279 173.518 0.761 19007 10193 1 19 . 1 1 52 52 GLY CA C 52 45.450 45.450 45.117 0.333 19007 10194 1 19 . 1 1 52 52 GLY H H 52 8.670 8.670 7.838 0.832 19007 10195 1 19 . 1 1 53 53 GLN N N 53 120.010 120.010 119.785 0.225 19007 10196 1 19 . 1 1 53 53 GLN HA H 53 4.440 4.440 4.277 0.163 19007 10197 1 19 . 1 1 53 53 GLN C C 53 175.001 175.001 174.697 0.304 19007 10198 1 19 . 1 1 53 53 GLN CA C 53 54.580 54.580 55.025 -0.445 19007 10199 1 19 . 1 1 53 53 GLN CB C 53 30.330 30.330 29.958 0.372 19007 10200 1 19 . 1 1 53 53 GLN H H 53 7.860 7.860 8.094 -0.234 19007 10201 1 19 . 1 1 54 54 LYS N N 54 120.420 120.420 124.938 -4.518 19007 10202 1 19 . 1 1 54 54 LYS HA H 54 4.704 4.704 4.957 -0.253 19007 10203 1 19 . 1 1 54 54 LYS C C 54 176.753 176.753 175.509 1.244 19007 10204 1 19 . 1 1 54 54 LYS CA C 54 55.830 55.830 55.170 0.660 19007 10205 1 19 . 1 1 54 54 LYS CB C 54 33.850 33.850 34.306 -0.456 19007 10206 1 19 . 1 1 54 54 LYS H H 54 8.250 8.250 9.032 -0.782 19007 10207 1 19 . 1 1 55 55 ILE N N 55 125.360 125.360 130.062 -4.702 19007 10208 1 19 . 1 1 55 55 ILE HA H 55 4.169 4.169 4.619 -0.450 19007 10209 1 19 . 1 1 55 55 ILE C C 55 174.405 174.405 175.133 -0.728 19007 10210 1 19 . 1 1 55 55 ILE CA C 55 60.350 60.350 59.964 0.386 19007 10211 1 19 . 1 1 55 55 ILE CB C 55 39.690 39.690 37.512 2.178 19007 10212 1 19 . 1 1 55 55 ILE H H 55 9.050 9.050 8.360 0.690 19007 10213 1 19 . 1 1 56 56 SER N N 56 121.850 121.850 120.886 0.964 19007 10214 1 19 . 1 1 56 56 SER HA H 56 4.480 4.480 4.760 -0.280 19007 10215 1 19 . 1 1 56 56 SER C C 56 174.105 174.105 173.932 0.173 19007 10216 1 19 . 1 1 56 56 SER CA C 56 57.410 57.410 57.275 0.135 19007 10217 1 19 . 1 1 56 56 SER CB C 56 64.080 64.080 62.599 1.482 19007 10218 1 19 . 1 1 56 56 SER H H 56 8.330 8.330 7.967 0.363 19007 10219 1 19 . 1 1 57 57 VAL N N 57 123.190 123.190 126.858 -3.668 19007 10220 1 19 . 1 1 57 57 VAL HA H 57 4.861 4.861 4.049 0.812 19007 10221 1 19 . 1 1 57 57 VAL C C 57 174.869 174.869 175.022 -0.153 19007 10222 1 19 . 1 1 57 57 VAL CA C 57 61.130 61.130 62.628 -1.498 19007 10223 1 19 . 1 1 57 57 VAL CB C 57 33.600 33.600 30.979 2.621 19007 10224 1 19 . 1 1 57 57 VAL H H 57 8.680 8.680 7.831 0.849 19007 10225 1 19 . 1 1 58 58 HIS N N 58 129.590 129.590 128.417 1.173 19007 10226 1 19 . 1 1 58 58 HIS HA H 58 5.076 5.076 5.058 0.018 19007 10227 1 19 . 1 1 58 58 HIS C C 58 174.351 174.351 174.359 -0.008 19007 10228 1 19 . 1 1 58 58 HIS CA C 58 54.420 54.420 54.045 0.375 19007 10229 1 19 . 1 1 58 58 HIS CB C 58 31.720 31.720 31.150 0.570 19007 10230 1 19 . 1 1 58 58 HIS H H 58 9.050 9.050 8.286 0.764 19007 10231 1 19 . 1 1 59 59 VAL N N 59 125.260 125.260 121.661 3.599 19007 10232 1 19 . 1 1 59 59 VAL HA H 59 4.408 4.408 4.532 -0.124 19007 10233 1 19 . 1 1 59 59 VAL C C 59 174.460 174.460 174.880 -0.420 19007 10234 1 19 . 1 1 59 59 VAL CA C 59 62.370 62.370 60.607 1.763 19007 10235 1 19 . 1 1 59 59 VAL CB C 59 32.760 32.760 31.440 1.320 19007 10236 1 19 . 1 1 59 59 VAL H H 59 8.800 8.800 9.241 -0.441 19007 10237 1 19 . 1 1 60 60 LYS N N 60 128.520 128.520 127.499 1.021 19007 10238 1 19 . 1 1 60 60 LYS HA H 60 4.909 4.909 4.813 0.096 19007 10239 1 19 . 1 1 60 60 LYS C C 60 175.825 175.825 177.247 -1.422 19007 10240 1 19 . 1 1 60 60 LYS CA C 60 54.450 54.450 55.266 -0.816 19007 10241 1 19 . 1 1 60 60 LYS CB C 60 32.490 32.490 32.124 0.366 19007 10242 1 19 . 1 1 60 60 LYS H H 60 9.040 9.040 8.402 0.638 19007 10243 1 19 . 1 1 61 61 LEU N N 61 121.430 121.430 121.091 0.339 19007 10244 1 19 . 1 1 61 61 LEU HA H 61 4.527 4.527 4.338 0.189 19007 10245 1 19 . 1 1 61 61 LEU C C 61 178.910 178.910 177.289 1.621 19007 10246 1 19 . 1 1 61 61 LEU CA C 61 54.410 54.410 56.681 -2.271 19007 10247 1 19 . 1 1 61 61 LEU CB C 61 44.330 44.330 43.127 1.204 19007 10248 1 19 . 1 1 61 61 LEU H H 61 8.700 8.700 7.527 1.173 19007 10249 1 19 . 1 1 62 62 GLY N N 62 110.520 110.520 103.833 6.687 19007 10250 1 19 . 1 1 62 62 GLY C C 62 175.350 175.350 173.815 1.535 19007 10251 1 19 . 1 1 62 62 GLY CA C 62 46.710 46.710 44.542 2.168 19007 10252 1 19 . 1 1 62 62 GLY H H 62 9.060 9.060 7.748 1.312 19007 10253 1 19 . 1 1 63 63 ASN N N 63 127.090 127.090 120.597 6.493 19007 10254 1 19 . 1 1 63 63 ASN HA H 63 4.778 4.778 4.311 0.467 19007 10255 1 19 . 1 1 63 63 ASN C C 63 174.214 174.214 176.303 -2.089 19007 10256 1 19 . 1 1 63 63 ASN CA C 63 52.910 52.910 54.444 -1.534 19007 10257 1 19 . 1 1 63 63 ASN CB C 63 38.100 38.100 37.551 0.549 19007 10258 1 19 . 1 1 63 63 ASN H H 63 10.390 10.390 8.463 1.927 19007 10259 1 19 . 1 1 64 64 ARG N N 64 121.850 121.850 117.566 4.284 19007 10260 1 19 . 1 1 64 64 ARG HA H 64 4.265 4.265 4.197 0.068 19007 10261 1 19 . 1 1 64 64 ARG C C 64 174.214 174.214 176.265 -2.051 19007 10262 1 19 . 1 1 64 64 ARG CA C 64 56.330 56.330 57.201 -0.871 19007 10263 1 19 . 1 1 64 64 ARG CB C 64 33.860 33.860 30.015 3.845 19007 10264 1 19 . 1 1 64 64 ARG H H 64 7.520 7.520 8.303 -0.783 19007 10265 1 19 . 1 1 65 65 PHE N N 65 127.760 127.760 115.709 12.051 19007 10266 1 19 . 1 1 65 65 PHE HA H 65 4.503 4.503 4.213 0.290 19007 10267 1 19 . 1 1 65 65 PHE C C 65 176.508 176.508 174.522 1.986 19007 10268 1 19 . 1 1 65 65 PHE CA C 65 56.760 56.760 58.346 -1.586 19007 10269 1 19 . 1 1 65 65 PHE CB C 65 40.430 40.430 38.005 2.425 19007 10270 1 19 . 1 1 65 65 PHE H H 65 8.580 8.580 8.012 0.568 19007 10271 1 19 . 1 1 66 66 LEU N N 66 125.260 125.260 119.057 6.203 19007 10272 1 19 . 1 1 66 66 LEU HA H 66 4.288 4.288 3.841 0.447 19007 10273 1 19 . 1 1 66 66 LEU C C 66 176.508 176.508 177.086 -0.578 19007 10274 1 19 . 1 1 66 66 LEU CA C 66 53.080 53.080 53.949 -0.869 19007 10275 1 19 . 1 1 66 66 LEU CB C 66 43.170 43.170 43.282 -0.112 19007 10276 1 19 . 1 1 66 66 LEU H H 66 8.040 8.040 7.543 0.497 19007 10277 1 19 . 1 1 67 67 TYR N N 67 120.480 120.480 120.103 0.377 19007 10278 1 19 . 1 1 67 67 TYR HA H 67 4.515 4.515 4.465 0.050 19007 10279 1 19 . 1 1 67 67 TYR C C 67 177.791 177.791 176.317 1.474 19007 10280 1 19 . 1 1 67 67 TYR CA C 67 58.120 58.120 55.141 2.979 19007 10281 1 19 . 1 1 67 67 TYR CB C 67 39.320 39.320 36.074 3.246 19007 10282 1 19 . 1 1 67 67 TYR H H 67 7.880 7.880 7.300 0.580 19007 10283 1 19 . 1 1 68 68 LYS N N 68 125.020 125.020 124.779 0.241 19007 10284 1 19 . 1 1 68 68 LYS HA H 68 4.034 4.034 4.140 -0.106 19007 10285 1 19 . 1 1 68 68 LYS C C 68 178.364 178.364 177.966 0.398 19007 10286 1 19 . 1 1 68 68 LYS CA C 68 60.130 60.130 59.186 0.944 19007 10287 1 19 . 1 1 68 68 LYS CB C 68 32.150 32.150 32.118 0.032 19007 10288 1 19 . 1 1 68 68 LYS H H 68 9.120 9.120 7.915 1.205 19007 10289 1 19 . 1 1 69 69 GLU N N 69 116.430 116.430 117.996 -1.566 19007 10290 1 19 . 1 1 69 69 GLU HA H 69 4.133 4.133 4.086 0.047 19007 10291 1 19 . 1 1 69 69 GLU C C 69 179.538 179.538 178.397 1.141 19007 10292 1 19 . 1 1 69 69 GLU CA C 69 60.030 60.030 58.990 1.040 19007 10293 1 19 . 1 1 69 69 GLU CB C 69 28.560 28.560 28.974 -0.414 19007 10294 1 19 . 1 1 69 69 GLU H H 69 9.460 9.460 8.357 1.103 19007 10295 1 19 . 1 1 70 70 GLN N N 70 117.670 117.670 118.815 -1.145 19007 10296 1 19 . 1 1 70 70 GLN HA H 70 4.120 4.120 4.024 0.096 19007 10297 1 19 . 1 1 70 70 GLN C C 70 177.955 177.955 178.291 -0.336 19007 10298 1 19 . 1 1 70 70 GLN CA C 70 57.950 57.950 59.678 -1.728 19007 10299 1 19 . 1 1 70 70 GLN CB C 70 29.290 29.290 28.855 0.435 19007 10300 1 19 . 1 1 70 70 GLN H H 70 7.000 7.000 8.374 -1.374 19007 10301 1 19 . 1 1 71 71 GLU N N 71 120.850 120.850 117.998 2.852 19007 10302 1 19 . 1 1 71 71 GLU HA H 71 3.668 3.668 4.115 -0.447 19007 10303 1 19 . 1 1 71 71 GLU C C 71 179.429 179.429 179.365 0.064 19007 10304 1 19 . 1 1 71 71 GLU CA C 71 60.620 60.620 59.321 1.299 19007 10305 1 19 . 1 1 71 71 GLU CB C 71 29.660 29.660 28.960 0.700 19007 10306 1 19 . 1 1 71 71 GLU H H 71 8.080 8.080 8.206 -0.126 19007 10307 1 19 . 1 1 72 72 GLU N N 72 119.670 119.670 120.673 -1.003 19007 10308 1 19 . 1 1 72 72 GLU HA H 72 4.038 4.038 4.031 0.007 19007 10309 1 19 . 1 1 72 72 GLU C C 72 178.446 178.446 178.654 -0.208 19007 10310 1 19 . 1 1 72 72 GLU CA C 72 59.690 59.690 59.924 -0.234 19007 10311 1 19 . 1 1 72 72 GLU CB C 72 29.350 29.350 29.252 0.098 19007 10312 1 19 . 1 1 72 72 GLU H H 72 8.390 8.390 7.778 0.612 19007 10313 1 19 . 1 1 73 73 GLN N N 73 119.030 119.030 117.903 1.127 19007 10314 1 19 . 1 1 73 73 GLN HA H 73 4.110 4.110 4.062 0.048 19007 10315 1 19 . 1 1 73 73 GLN C C 73 179.320 179.320 177.616 1.704 19007 10316 1 19 . 1 1 73 73 GLN CA C 73 59.470 59.470 58.642 0.828 19007 10317 1 19 . 1 1 73 73 GLN CB C 73 29.480 29.480 28.299 1.181 19007 10318 1 19 . 1 1 73 73 GLN H H 73 7.730 7.730 8.382 -0.652 19007 10319 1 19 . 1 1 74 74 LEU N N 74 119.760 119.760 113.099 6.661 19007 10320 1 19 . 1 1 74 74 LEU HA H 74 3.918 3.918 4.539 -0.621 19007 10321 1 19 . 1 1 74 74 LEU C C 74 177.818 177.818 178.666 -0.848 19007 10322 1 19 . 1 1 74 74 LEU CA C 74 58.720 58.720 56.726 1.994 19007 10323 1 19 . 1 1 74 74 LEU CB C 74 42.890 42.890 42.041 0.849 19007 10324 1 19 . 1 1 74 74 LEU H H 74 8.290 8.290 7.285 1.005 19007 10325 1 19 . 1 1 75 75 THR N N 75 113.520 113.520 117.460 -3.940 19007 10326 1 19 . 1 1 75 75 THR HA H 75 3.680 3.680 4.024 -0.344 19007 10327 1 19 . 1 1 75 75 THR C C 75 176.480 176.480 176.465 0.015 19007 10328 1 19 . 1 1 75 75 THR CA C 75 66.990 66.990 67.215 -0.225 19007 10329 1 19 . 1 1 75 75 THR CB C 75 68.640 68.640 68.452 0.188 19007 10330 1 19 . 1 1 75 75 THR H H 75 8.450 8.450 8.201 0.249 19007 10331 1 19 . 1 1 76 76 GLU N N 76 121.340 121.340 120.987 0.353 19007 10332 1 19 . 1 1 76 76 GLU HA H 76 4.014 4.014 4.036 -0.022 19007 10333 1 19 . 1 1 76 76 GLU C C 76 178.965 178.965 177.922 1.043 19007 10334 1 19 . 1 1 76 76 GLU CA C 76 59.190 59.190 59.233 -0.043 19007 10335 1 19 . 1 1 76 76 GLU CB C 76 29.590 29.590 29.273 0.317 19007 10336 1 19 . 1 1 76 76 GLU H H 76 8.330 8.330 8.363 -0.033 19007 10337 1 19 . 1 1 77 77 LEU N N 77 120.170 120.170 116.806 3.364 19007 10338 1 19 . 1 1 77 77 LEU HA H 77 3.955 3.955 4.159 -0.204 19007 10339 1 19 . 1 1 77 77 LEU C C 77 180.057 180.057 177.965 2.092 19007 10340 1 19 . 1 1 77 77 LEU CA C 77 58.510 58.510 56.305 2.205 19007 10341 1 19 . 1 1 77 77 LEU CB C 77 42.716 42.716 41.433 1.283 19007 10342 1 19 . 1 1 77 77 LEU H H 77 7.560 7.560 7.331 0.229 19007 10343 1 19 . 1 1 78 78 ILE N N 78 119.930 119.930 115.248 4.682 19007 10344 1 19 . 1 1 78 78 ILE HA H 78 3.429 3.429 4.073 -0.644 19007 10345 1 19 . 1 1 78 78 ILE C C 78 176.043 176.043 177.929 -1.886 19007 10346 1 19 . 1 1 78 78 ILE CA C 78 65.740 65.740 62.265 3.475 19007 10347 1 19 . 1 1 78 78 ILE CB C 78 37.960 37.960 38.543 -0.583 19007 10348 1 19 . 1 1 78 78 ILE H H 78 7.740 7.740 7.577 0.163 19007 10349 1 19 . 1 1 79 79 ALA N N 79 116.940 116.940 123.889 -6.949 19007 10350 1 19 . 1 1 79 79 ALA HA H 79 4.229 4.229 4.095 0.134 19007 10351 1 19 . 1 1 79 79 ALA C C 79 178.719 178.719 179.523 -0.804 19007 10352 1 19 . 1 1 79 79 ALA CA C 79 53.390 53.390 55.087 -1.697 19007 10353 1 19 . 1 1 79 79 ALA CB C 79 18.500 18.500 17.921 0.580 19007 10354 1 19 . 1 1 79 79 ALA H H 79 8.210 8.210 8.152 0.058 19007 10355 1 19 . 1 1 80 80 SER N N 80 113.260 113.260 113.865 -0.605 19007 10356 1 19 . 1 1 80 80 SER HA H 80 4.253 4.253 4.302 -0.049 19007 10357 1 19 . 1 1 80 80 SER C C 80 174.869 174.869 175.117 -0.248 19007 10358 1 19 . 1 1 80 80 SER CA C 80 60.550 60.550 60.599 -0.049 19007 10359 1 19 . 1 1 80 80 SER CB C 80 63.130 63.130 63.310 -0.180 19007 10360 1 19 . 1 1 80 80 SER H H 80 7.600 7.600 8.123 -0.523 19007 10361 1 19 . 1 1 81 81 LYS N N 81 123.510 123.510 118.553 4.957 19007 10362 1 19 . 1 1 81 81 LYS HA H 81 4.527 4.527 4.637 -0.110 19007 10363 1 19 . 1 1 81 81 LYS C C 81 176.289 176.289 174.892 1.397 19007 10364 1 19 . 1 1 81 81 LYS CA C 81 54.000 54.000 55.247 -1.247 19007 10365 1 19 . 1 1 81 81 LYS CB C 81 30.440 30.440 32.473 -2.033 19007 10366 1 19 . 1 1 81 81 LYS H H 81 7.690 7.690 7.672 0.018 19007 10367 1 19 . 1 1 82 82 LYS N N 82 120.760 120.760 121.465 -0.705 19007 10368 1 19 . 1 1 82 82 LYS HA H 82 4.539 4.539 4.159 0.380 19007 10369 1 19 . 1 1 82 82 LYS C C 82 176.835 176.835 175.920 0.915 19007 10370 1 19 . 1 1 82 82 LYS CA C 82 59.090 59.090 57.044 2.046 19007 10371 1 19 . 1 1 82 82 LYS CB C 82 32.330 32.330 30.341 1.989 19007 10372 1 19 . 1 1 82 82 LYS H H 82 8.190 8.190 7.680 0.510 19007 10373 1 19 . 1 1 83 83 ASP N N 83 117.280 117.280 121.646 -4.366 19007 10374 1 19 . 1 1 83 83 ASP HA H 83 4.659 4.659 4.677 -0.018 19007 10375 1 19 . 1 1 83 83 ASP C C 83 174.460 174.460 176.154 -1.694 19007 10376 1 19 . 1 1 83 83 ASP CA C 83 55.390 55.390 54.209 1.181 19007 10377 1 19 . 1 1 83 83 ASP CB C 83 40.680 40.680 41.460 -0.780 19007 10378 1 19 . 1 1 83 83 ASP H H 83 8.670 8.670 8.412 0.258 19007 10379 1 19 . 1 1 84 84 LEU N N 84 117.780 117.780 118.379 -0.599 19007 10380 1 19 . 1 1 84 84 LEU HA H 84 5.100 5.100 4.078 1.022 19007 10381 1 19 . 1 1 84 84 LEU C C 84 176.753 176.753 177.830 -1.077 19007 10382 1 19 . 1 1 84 84 LEU CA C 84 54.560 54.560 52.652 1.908 19007 10383 1 19 . 1 1 84 84 LEU CB C 84 43.690 43.690 41.636 2.054 19007 10384 1 19 . 1 1 84 84 LEU H H 84 7.640 7.640 7.636 0.004 19007 10385 1 19 . 1 1 85 85 PHE N N 85 117.610 117.610 121.158 -3.548 19007 10386 1 19 . 1 1 85 85 PHE HA H 85 4.754 4.754 4.531 0.223 19007 10387 1 19 . 1 1 85 85 PHE C C 85 173.204 173.204 174.820 -1.616 19007 10388 1 19 . 1 1 85 85 PHE CA C 85 56.400 56.400 56.889 -0.489 19007 10389 1 19 . 1 1 85 85 PHE CB C 85 42.000 42.000 36.820 5.180 19007 10390 1 19 . 1 1 85 85 PHE H H 85 8.280 8.280 8.231 0.049 19007 10391 1 19 . 1 1 86 86 VAL N N 86 123.600 123.600 121.593 2.007 19007 10392 1 19 . 1 1 86 86 VAL HA H 86 3.882 3.882 4.477 -0.595 19007 10393 1 19 . 1 1 86 86 VAL C C 86 174.651 174.651 175.145 -0.494 19007 10394 1 19 . 1 1 86 86 VAL CA C 86 63.640 63.640 61.460 2.180 19007 10395 1 19 . 1 1 86 86 VAL CB C 86 31.440 31.440 33.489 -2.049 19007 10396 1 19 . 1 1 86 86 VAL H H 86 8.880 8.880 7.977 0.903 19007 10397 1 19 . 1 1 87 87 HIS N N 87 130.690 130.690 126.623 4.067 19007 10398 1 19 . 1 1 87 87 HIS HA H 87 4.420 4.420 4.859 -0.439 19007 10399 1 19 . 1 1 87 87 HIS C C 87 175.497 175.497 173.351 2.146 19007 10400 1 19 . 1 1 87 87 HIS CA C 87 58.090 58.090 55.437 2.653 19007 10401 1 19 . 1 1 87 87 HIS CB C 87 32.870 32.870 32.354 0.516 19007 10402 1 19 . 1 1 87 87 HIS H H 87 9.320 9.320 8.600 0.720 19007 10403 1 19 . 1 1 88 88 SER N N 88 109.280 109.280 118.975 -9.695 19007 10404 1 19 . 1 1 88 88 SER HA H 88 4.503 4.503 5.676 -1.173 19007 10405 1 19 . 1 1 88 88 SER C C 88 172.248 172.248 173.356 -1.108 19007 10406 1 19 . 1 1 88 88 SER CA C 88 57.560 57.560 57.010 0.550 19007 10407 1 19 . 1 1 88 88 SER CB C 88 64.890 64.890 65.956 -1.066 19007 10408 1 19 . 1 1 88 88 SER H H 88 7.370 7.370 8.534 -1.164 19007 10409 1 19 . 1 1 89 89 ILE N N 89 122.260 122.260 121.764 0.496 19007 10410 1 19 . 1 1 89 89 ILE HA H 89 4.265 4.265 4.411 -0.146 19007 10411 1 19 . 1 1 89 89 ILE C C 89 174.569 174.569 173.257 1.312 19007 10412 1 19 . 1 1 89 89 ILE CA C 89 61.110 61.110 61.118 -0.008 19007 10413 1 19 . 1 1 89 89 ILE CB C 89 39.960 39.960 41.880 -1.920 19007 10414 1 19 . 1 1 89 89 ILE H H 89 8.400 8.400 8.529 -0.129 19007 10415 1 19 . 1 1 90 90 ASP N N 90 126.690 126.690 125.481 1.209 19007 10416 1 19 . 1 1 90 90 ASP HA H 90 5.064 5.064 5.934 -0.870 19007 10417 1 19 . 1 1 90 90 ASP C C 90 174.469 174.469 175.720 -1.251 19007 10418 1 19 . 1 1 90 90 ASP CA C 90 53.600 53.600 51.800 1.800 19007 10419 1 19 . 1 1 90 90 ASP CB C 90 44.230 44.230 44.075 0.155 19007 10420 1 19 . 1 1 90 90 ASP H H 90 8.800 8.800 8.383 0.417 19007 10421 1 19 . 1 1 91 91 SER N N 91 116.760 116.760 117.513 -0.753 19007 10422 1 19 . 1 1 91 91 SER HA H 91 4.781 4.781 4.752 0.029 19007 10423 1 19 . 1 1 91 91 SER C C 91 173.164 173.164 173.608 -0.444 19007 10424 1 19 . 1 1 91 91 SER CA C 91 57.430 57.430 57.588 -0.158 19007 10425 1 19 . 1 1 91 91 SER CB C 91 65.250 65.250 63.185 2.065 19007 10426 1 19 . 1 1 91 91 SER H H 91 8.500 8.500 8.494 0.006 19007 10427 1 19 . 1 1 92 92 GLU N N 92 123.420 123.420 126.119 -2.699 19007 10428 1 19 . 1 1 92 92 GLU HA H 92 4.355 4.355 4.676 -0.321 19007 10429 1 19 . 1 1 92 92 GLU C C 92 176.419 176.419 175.338 1.081 19007 10430 1 19 . 1 1 92 92 GLU CA C 92 56.250 56.250 55.663 0.588 19007 10431 1 19 . 1 1 92 92 GLU CB C 92 30.730 30.730 30.890 -0.160 19007 10432 1 19 . 1 1 92 92 GLU H H 92 8.620 8.620 8.579 0.041 19007 10433 1 19 . 1 1 93 93 VAL N N 93 122.090 122.090 122.221 -0.131 19007 10434 1 19 . 1 1 93 93 VAL HA H 93 4.105 4.105 4.305 -0.200 19007 10435 1 19 . 1 1 93 93 VAL CA C 93 62.240 62.240 62.579 -0.339 19007 10436 1 19 . 1 1 93 93 VAL CB C 93 32.860 32.860 32.568 0.292 19007 10437 1 19 . 1 1 93 93 VAL H H 93 8.220 8.220 8.364 -0.144 19007 10438 1 19 . 1 1 96 96 LYS HA H 96 4.079 4.079 4.538 -0.459 19007 10439 1 19 . 1 1 96 96 LYS C C 96 176.053 176.053 175.913 0.140 19007 10440 1 19 . 1 1 96 96 LYS CA C 96 62.497 62.497 55.337 7.160 19007 10441 1 19 . 1 1 96 96 LYS CB C 96 32.776 32.776 33.383 -0.607 19007 10442 1 19 . 1 1 97 97 LYS N N 97 126.170 126.170 120.109 6.061 19007 10443 1 19 . 1 1 97 97 LYS HA H 97 4.300 4.300 4.315 -0.015 19007 10444 1 19 . 1 1 97 97 LYS C C 97 176.665 176.665 176.332 0.333 19007 10445 1 19 . 1 1 97 97 LYS CA C 97 56.730 56.730 55.744 0.986 19007 10446 1 19 . 1 1 97 97 LYS CB C 97 33.020 33.020 33.079 -0.059 19007 10447 1 19 . 1 1 97 97 LYS H H 97 8.500 8.500 8.334 0.166 19007 10448 1 19 . 1 1 98 98 GLU N N 98 122.020 122.020 119.747 2.273 19007 10449 1 19 . 1 1 98 98 GLU HA H 98 4.226 4.226 4.243 -0.017 19007 10450 1 19 . 1 1 98 98 GLU C C 98 176.382 176.382 175.739 0.643 19007 10451 1 19 . 1 1 98 98 GLU CA C 98 56.890 56.890 56.565 0.326 19007 10452 1 19 . 1 1 98 98 GLU CB C 98 30.410 30.410 29.593 0.817 19007 10453 1 19 . 1 1 98 98 GLU H H 98 8.470 8.470 8.513 -0.043 19007 10454 1 19 . 1 1 99 99 ALA N N 99 124.770 124.770 129.074 -4.304 19007 10455 1 19 . 1 1 99 99 ALA HA H 99 4.281 4.281 4.451 -0.170 19007 10456 1 19 . 1 1 99 99 ALA C C 99 177.723 177.723 176.532 1.191 19007 10457 1 19 . 1 1 99 99 ALA CA C 99 52.880 52.880 51.795 1.085 19007 10458 1 19 . 1 1 99 99 ALA CB C 99 19.320 19.320 19.635 -0.315 19007 10459 1 19 . 1 1 99 99 ALA H H 99 8.310 8.310 8.261 0.049 19007 10460 1 19 . 1 1 100 100 GLN N N 100 119.190 119.190 120.044 -0.854 19007 10461 1 19 . 1 1 100 100 GLN HA H 100 4.266 4.266 4.348 -0.082 19007 10462 1 19 . 1 1 100 100 GLN CA C 100 56.000 56.000 54.906 1.094 19007 10463 1 19 . 1 1 100 100 GLN CB C 100 29.970 29.970 29.740 0.230 19007 10464 1 19 . 1 1 100 100 GLN H H 100 8.280 8.280 8.131 0.149 19007 10465 1 19 . 1 1 101 101 GLN N N 101 120.421 120.421 123.288 -2.867 19007 10466 1 19 . 1 1 101 101 GLN HA H 101 4.650 4.650 4.383 0.267 19007 10467 1 19 . 1 1 101 101 GLN C C 101 175.725 175.725 174.950 0.775 19007 10468 1 19 . 1 1 101 101 GLN CA C 101 56.073 56.073 55.413 0.659 19007 10469 1 19 . 1 1 101 101 GLN CB C 101 29.524 29.524 27.367 2.157 19007 10470 1 19 . 1 1 101 101 GLN H H 101 8.114 8.114 8.639 -0.525 19007 10471 1 19 . 1 1 102 102 ILE N N 102 122.940 122.940 123.197 -0.257 19007 10472 1 19 . 1 1 102 102 ILE HA H 102 4.119 4.119 4.353 -0.234 19007 10473 1 19 . 1 1 102 102 ILE C C 102 175.916 175.916 174.786 1.130 19007 10474 1 19 . 1 1 102 102 ILE CA C 102 61.260 61.260 60.963 0.297 19007 10475 1 19 . 1 1 102 102 ILE CB C 102 38.790 38.790 38.182 0.608 19007 10476 1 19 . 1 1 102 102 ILE H H 102 8.240 8.240 7.765 0.475 19007 10477 1 19 . 1 1 103 103 ARG N N 103 125.780 125.780 127.878 -2.098 19007 10478 1 19 . 1 1 103 103 ARG HA H 103 4.369 4.369 4.612 -0.243 19007 10479 1 19 . 1 1 103 103 ARG C C 103 175.752 175.752 175.600 0.152 19007 10480 1 19 . 1 1 103 103 ARG CA C 103 55.940 55.940 56.012 -0.072 19007 10481 1 19 . 1 1 103 103 ARG CB C 103 31.340 31.340 32.102 -0.762 19007 10482 1 19 . 1 1 103 103 ARG H H 103 8.400 8.400 8.530 -0.130 19007 10483 1 19 . 1 1 104 104 GLU N N 104 123.840 123.840 122.494 1.346 19007 10484 1 19 . 1 1 104 104 GLU HA H 104 4.296 4.296 4.446 -0.150 19007 10485 1 19 . 1 1 104 104 GLU C C 104 175.314 175.314 176.277 -0.963 19007 10486 1 19 . 1 1 104 104 GLU CA C 104 56.430 56.430 56.925 -0.495 19007 10487 1 19 . 1 1 104 104 GLU CB C 104 30.560 30.560 30.309 0.251 19007 10488 1 19 . 1 1 104 104 GLU H H 104 8.510 8.510 8.680 -0.170 19007 10489 1 20 . 1 1 6 6 THR HA H 6 4.321 4.321 4.503 -0.182 19007 10490 1 20 . 1 1 6 6 THR C C 6 174.339 174.339 174.247 0.092 19007 10491 1 20 . 1 1 6 6 THR CA C 6 62.139 62.139 61.492 0.647 19007 10492 1 20 . 1 1 6 6 THR CB C 6 69.788 69.788 70.413 -0.625 19007 10493 1 20 . 1 1 7 7 LYS N N 7 124.350 124.350 121.539 2.811 19007 10494 1 20 . 1 1 7 7 LYS HA H 7 4.265 4.265 4.246 0.019 19007 10495 1 20 . 1 1 7 7 LYS C C 7 176.341 176.341 175.464 0.877 19007 10496 1 20 . 1 1 7 7 LYS CA C 7 56.980 56.980 56.518 0.462 19007 10497 1 20 . 1 1 7 7 LYS CB C 7 33.110 33.110 33.282 -0.173 19007 10498 1 20 . 1 1 7 7 LYS H H 7 8.320 8.320 8.342 -0.022 19007 10499 1 20 . 1 1 8 8 LYS N N 8 123.170 123.170 119.861 3.309 19007 10500 1 20 . 1 1 8 8 LYS HA H 8 4.253 4.253 4.479 -0.226 19007 10501 1 20 . 1 1 8 8 LYS C C 8 176.083 176.083 175.563 0.520 19007 10502 1 20 . 1 1 8 8 LYS CA C 8 56.450 56.450 55.037 1.413 19007 10503 1 20 . 1 1 8 8 LYS CB C 8 33.480 33.480 35.014 -1.534 19007 10504 1 20 . 1 1 8 8 LYS H H 8 8.340 8.340 8.266 0.074 19007 10505 1 20 . 1 1 9 9 GLN N N 9 123.010 123.010 118.866 4.144 19007 10506 1 20 . 1 1 9 9 GLN HA H 9 4.289 4.289 4.396 -0.107 19007 10507 1 20 . 1 1 9 9 GLN C C 9 174.914 174.914 175.366 -0.452 19007 10508 1 20 . 1 1 9 9 GLN CA C 9 56.520 56.520 57.533 -1.013 19007 10509 1 20 . 1 1 9 9 GLN CB C 9 30.790 30.790 29.222 1.568 19007 10510 1 20 . 1 1 9 9 GLN H H 9 8.440 8.440 8.618 -0.178 19007 10511 1 20 . 1 1 10 10 GLN N N 10 121.180 121.180 119.388 1.792 19007 10512 1 20 . 1 1 10 10 GLN HA H 10 4.769 4.769 4.911 -0.142 19007 10513 1 20 . 1 1 10 10 GLN C C 10 175.865 175.865 175.318 0.547 19007 10514 1 20 . 1 1 10 10 GLN CA C 10 55.580 55.580 54.936 0.644 19007 10515 1 20 . 1 1 10 10 GLN CB C 10 29.630 29.630 29.997 -0.367 19007 10516 1 20 . 1 1 10 10 GLN H H 10 8.170 8.170 8.005 0.165 19007 10517 1 20 . 1 1 11 11 TYR N N 11 120.110 120.110 121.563 -1.453 19007 10518 1 20 . 1 1 11 11 TYR HA H 11 4.769 4.769 4.920 -0.151 19007 10519 1 20 . 1 1 11 11 TYR C C 11 174.319 174.319 172.864 1.455 19007 10520 1 20 . 1 1 11 11 TYR CA C 11 58.490 58.490 56.185 2.305 19007 10521 1 20 . 1 1 11 11 TYR CB C 11 39.350 39.350 40.715 -1.365 19007 10522 1 20 . 1 1 11 11 TYR H H 11 8.470 8.470 8.039 0.431 19007 10523 1 20 . 1 1 12 12 VAL N N 12 117.030 117.030 120.344 -3.314 19007 10524 1 20 . 1 1 12 12 VAL HA H 12 4.793 4.793 4.914 -0.121 19007 10525 1 20 . 1 1 12 12 VAL C C 12 174.636 174.636 173.946 0.690 19007 10526 1 20 . 1 1 12 12 VAL CA C 12 60.730 60.730 60.942 -0.212 19007 10527 1 20 . 1 1 12 12 VAL CB C 12 34.790 34.790 35.146 -0.356 19007 10528 1 20 . 1 1 12 12 VAL H H 12 7.590 7.590 8.426 -0.836 19007 10529 1 20 . 1 1 13 13 THR N N 13 121.770 121.770 123.400 -1.630 19007 10530 1 20 . 1 1 13 13 THR HA H 13 4.615 4.615 4.625 -0.010 19007 10531 1 20 . 1 1 13 13 THR C C 13 173.030 173.030 172.461 0.569 19007 10532 1 20 . 1 1 13 13 THR CA C 13 61.540 61.540 62.170 -0.630 19007 10533 1 20 . 1 1 13 13 THR CB C 13 71.050 71.050 71.290 -0.240 19007 10534 1 20 . 1 1 13 13 THR H H 13 8.620 8.620 8.118 0.502 19007 10535 1 20 . 1 1 14 14 ILE N N 14 126.190 126.190 125.676 0.514 19007 10536 1 20 . 1 1 14 14 ILE HA H 14 4.781 4.781 4.332 0.449 19007 10537 1 20 . 1 1 14 14 ILE C C 14 175.112 175.112 175.080 0.032 19007 10538 1 20 . 1 1 14 14 ILE CA C 14 61.120 61.120 60.383 0.737 19007 10539 1 20 . 1 1 14 14 ILE CB C 14 40.340 40.340 40.057 0.283 19007 10540 1 20 . 1 1 14 14 ILE H H 14 8.890 8.890 8.575 0.315 19007 10541 1 20 . 1 1 15 15 LYS N N 15 127.020 127.020 128.837 -1.817 19007 10542 1 20 . 1 1 15 15 LYS HA H 15 4.734 4.734 4.683 0.051 19007 10543 1 20 . 1 1 15 15 LYS C C 15 175.409 175.409 175.301 0.108 19007 10544 1 20 . 1 1 15 15 LYS CA C 15 54.740 54.740 55.360 -0.620 19007 10545 1 20 . 1 1 15 15 LYS CB C 15 35.430 35.430 34.017 1.413 19007 10546 1 20 . 1 1 15 15 LYS H H 15 8.850 8.850 9.038 -0.188 19007 10547 1 20 . 1 1 16 16 GLY N N 16 112.120 112.120 112.166 -0.046 19007 10548 1 20 . 1 1 16 16 GLY C C 16 172.566 172.566 173.159 -0.593 19007 10549 1 20 . 1 1 16 16 GLY CA C 16 45.560 45.560 44.692 0.868 19007 10550 1 20 . 1 1 16 16 GLY H H 16 8.870 8.870 8.537 0.333 19007 10551 1 20 . 1 1 17 17 THR N N 17 114.520 114.520 115.419 -0.899 19007 10552 1 20 . 1 1 17 17 THR HA H 17 4.753 4.753 4.378 0.375 19007 10553 1 20 . 1 1 17 17 THR CA C 17 60.360 60.360 61.454 -1.094 19007 10554 1 20 . 1 1 17 17 THR CB C 17 72.040 72.040 69.936 2.104 19007 10555 1 20 . 1 1 17 17 THR H H 17 8.380 8.380 7.486 0.894 19007 10556 1 20 . 1 1 19 19 ASN HA H 19 4.778 4.778 4.884 -0.106 19007 10557 1 20 . 1 1 19 19 ASN C C 19 174.616 174.616 173.794 0.822 19007 10558 1 20 . 1 1 19 19 ASN CA C 19 53.700 53.700 52.966 0.734 19007 10559 1 20 . 1 1 19 19 ASN CB C 19 39.018 39.018 39.373 -0.355 19007 10560 1 20 . 1 1 20 20 GLY N N 20 108.600 108.600 108.423 0.177 19007 10561 1 20 . 1 1 20 20 GLY C C 20 172.297 172.297 173.198 -0.901 19007 10562 1 20 . 1 1 20 20 GLY CA C 20 46.310 46.310 45.451 0.859 19007 10563 1 20 . 1 1 20 20 GLY H H 20 7.590 7.590 8.395 -0.805 19007 10564 1 20 . 1 1 21 21 LEU N N 21 123.210 123.210 122.384 0.826 19007 10565 1 20 . 1 1 21 21 LEU HA H 21 5.015 5.015 4.716 0.299 19007 10566 1 20 . 1 1 21 21 LEU C C 21 176.202 176.202 174.728 1.474 19007 10567 1 20 . 1 1 21 21 LEU CA C 21 54.090 54.090 55.471 -1.381 19007 10568 1 20 . 1 1 21 21 LEU CB C 21 45.940 45.940 44.443 1.497 19007 10569 1 20 . 1 1 21 21 LEU H H 21 8.760 8.760 8.246 0.514 19007 10570 1 20 . 1 1 22 22 THR N N 22 120.430 120.430 123.495 -3.065 19007 10571 1 20 . 1 1 22 22 THR HA H 22 5.191 5.191 4.911 0.280 19007 10572 1 20 . 1 1 22 22 THR C C 22 172.852 172.852 173.355 -0.503 19007 10573 1 20 . 1 1 22 22 THR CA C 22 61.850 61.850 61.305 0.545 19007 10574 1 20 . 1 1 22 22 THR CB C 22 69.800 69.800 69.209 0.591 19007 10575 1 20 . 1 1 22 22 THR H H 22 9.150 9.150 8.927 0.223 19007 10576 1 20 . 1 1 23 23 LEU N N 23 127.110 127.110 122.116 4.994 19007 10577 1 20 . 1 1 23 23 LEU HA H 23 4.910 4.910 5.620 -0.710 19007 10578 1 20 . 1 1 23 23 LEU C C 23 174.200 174.200 174.723 -0.523 19007 10579 1 20 . 1 1 23 23 LEU CA C 23 52.770 52.770 53.460 -0.690 19007 10580 1 20 . 1 1 23 23 LEU CB C 23 44.220 44.220 46.100 -1.880 19007 10581 1 20 . 1 1 23 23 LEU H H 23 8.870 8.870 8.025 0.845 19007 10582 1 20 . 1 1 24 24 HIS N N 24 124.600 124.600 114.773 9.827 19007 10583 1 20 . 1 1 24 24 HIS HA H 24 4.875 4.875 5.925 -1.050 19007 10584 1 20 . 1 1 24 24 HIS C C 24 174.033 174.033 172.637 1.396 19007 10585 1 20 . 1 1 24 24 HIS CA C 24 56.000 56.000 54.947 1.053 19007 10586 1 20 . 1 1 24 24 HIS CB C 24 30.400 30.400 32.930 -2.530 19007 10587 1 20 . 1 1 24 24 HIS H H 24 9.160 9.160 8.330 0.830 19007 10588 1 20 . 1 1 25 25 LEU N N 25 125.950 125.950 122.583 3.367 19007 10589 1 20 . 1 1 25 25 LEU HA H 25 4.382 4.382 4.828 -0.446 19007 10590 1 20 . 1 1 25 25 LEU C C 25 175.806 175.806 174.161 1.645 19007 10591 1 20 . 1 1 25 25 LEU CA C 25 53.250 53.250 53.652 -0.402 19007 10592 1 20 . 1 1 25 25 LEU CB C 25 41.030 41.030 46.049 -5.019 19007 10593 1 20 . 1 1 25 25 LEU H H 25 8.420 8.420 8.119 0.301 19007 10594 1 20 . 1 1 26 26 ASP N N 26 126.170 126.170 124.766 1.404 19007 10595 1 20 . 1 1 26 26 ASP HA H 26 4.344 4.344 5.113 -0.769 19007 10596 1 20 . 1 1 26 26 ASP C C 26 176.302 176.302 173.921 2.381 19007 10597 1 20 . 1 1 26 26 ASP CA C 26 56.480 56.480 53.358 3.122 19007 10598 1 20 . 1 1 26 26 ASP CB C 26 43.880 43.880 42.385 1.495 19007 10599 1 20 . 1 1 26 26 ASP H H 26 8.630 8.630 8.294 0.336 19007 10600 1 20 . 1 1 27 27 ASP N N 27 122.430 122.430 122.428 0.002 19007 10601 1 20 . 1 1 27 27 ASP HA H 27 4.540 4.540 4.691 -0.151 19007 10602 1 20 . 1 1 27 27 ASP C C 27 176.381 176.381 173.712 2.669 19007 10603 1 20 . 1 1 27 27 ASP CA C 27 54.060 54.060 54.238 -0.178 19007 10604 1 20 . 1 1 27 27 ASP CB C 27 40.820 40.820 43.413 -2.593 19007 10605 1 20 . 1 1 27 27 ASP H H 27 8.150 8.150 7.671 0.479 19007 10606 1 20 . 1 1 28 28 ALA N N 28 123.520 123.520 126.587 -3.067 19007 10607 1 20 . 1 1 28 28 ALA HA H 28 4.600 4.600 4.314 0.286 19007 10608 1 20 . 1 1 28 28 ALA C C 28 178.324 178.324 177.523 0.801 19007 10609 1 20 . 1 1 28 28 ALA CA C 28 52.860 52.860 51.453 1.407 19007 10610 1 20 . 1 1 28 28 ALA CB C 28 20.790 20.790 19.883 0.907 19007 10611 1 20 . 1 1 28 28 ALA H H 28 8.480 8.480 8.409 0.071 19007 10612 1 20 . 1 1 29 29 CYS N N 29 115.580 115.580 116.542 -0.962 19007 10613 1 20 . 1 1 29 29 CYS HA H 29 4.680 4.680 4.116 0.564 19007 10614 1 20 . 1 1 29 29 CYS C C 29 174.696 174.696 173.670 1.026 19007 10615 1 20 . 1 1 29 29 CYS CA C 29 56.060 56.060 59.975 -3.915 19007 10616 1 20 . 1 1 29 29 CYS CB C 29 29.050 29.050 24.821 4.229 19007 10617 1 20 . 1 1 29 29 CYS H H 29 7.510 7.510 8.440 -0.930 19007 10618 1 20 . 1 1 30 30 SER N N 30 119.090 119.090 113.586 5.504 19007 10619 1 20 . 1 1 30 30 SER HA H 30 4.500 4.500 4.552 -0.052 19007 10620 1 20 . 1 1 30 30 SER CA C 30 58.370 58.370 56.813 1.557 19007 10621 1 20 . 1 1 30 30 SER CB C 30 64.170 64.170 66.521 -2.351 19007 10622 1 20 . 1 1 30 30 SER H H 30 9.170 9.170 7.827 1.343 19007 10623 1 20 . 1 1 31 31 PHE HA H 31 4.041 4.041 4.575 -0.534 19007 10624 1 20 . 1 1 31 31 PHE C C 31 176.440 176.440 176.761 -0.321 19007 10625 1 20 . 1 1 31 31 PHE CA C 31 62.491 62.491 57.417 5.074 19007 10626 1 20 . 1 1 31 31 PHE CB C 31 39.018 39.018 39.337 -0.319 19007 10627 1 20 . 1 1 32 32 ASP N N 32 116.020 116.020 125.385 -9.365 19007 10628 1 20 . 1 1 32 32 ASP HA H 32 4.139 4.139 4.564 -0.425 19007 10629 1 20 . 1 1 32 32 ASP C C 32 178.978 178.978 176.904 2.074 19007 10630 1 20 . 1 1 32 32 ASP CA C 32 57.670 57.670 54.047 3.623 19007 10631 1 20 . 1 1 32 32 ASP CB C 32 40.290 40.290 38.705 1.585 19007 10632 1 20 . 1 1 32 32 ASP H H 32 8.370 8.370 8.848 -0.478 19007 10633 1 20 . 1 1 33 33 GLU N N 33 120.170 120.170 119.282 0.888 19007 10634 1 20 . 1 1 33 33 GLU HA H 33 4.149 4.149 4.128 0.021 19007 10635 1 20 . 1 1 33 33 GLU C C 33 179.256 179.256 177.676 1.580 19007 10636 1 20 . 1 1 33 33 GLU CA C 33 58.810 58.810 58.688 0.122 19007 10637 1 20 . 1 1 33 33 GLU CB C 33 29.510 29.510 29.127 0.383 19007 10638 1 20 . 1 1 33 33 GLU H H 33 7.560 7.560 8.132 -0.572 19007 10639 1 20 . 1 1 34 34 LEU N N 34 121.930 121.930 119.375 2.555 19007 10640 1 20 . 1 1 34 34 LEU HA H 34 3.755 3.755 4.177 -0.422 19007 10641 1 20 . 1 1 34 34 LEU C C 34 178.205 178.205 178.438 -0.233 19007 10642 1 20 . 1 1 34 34 LEU CA C 34 57.910 57.910 56.171 1.739 19007 10643 1 20 . 1 1 34 34 LEU CB C 34 41.980 41.980 41.700 0.280 19007 10644 1 20 . 1 1 34 34 LEU H H 34 7.730 7.730 7.850 -0.120 19007 10645 1 20 . 1 1 35 35 LEU N N 35 118.190 118.190 119.474 -1.284 19007 10646 1 20 . 1 1 35 35 LEU HA H 35 3.575 3.575 4.024 -0.449 19007 10647 1 20 . 1 1 35 35 LEU C C 35 179.295 179.295 178.249 1.046 19007 10648 1 20 . 1 1 35 35 LEU CA C 35 57.990 57.990 57.826 0.164 19007 10649 1 20 . 1 1 35 35 LEU CB C 35 40.900 40.900 41.464 -0.564 19007 10650 1 20 . 1 1 35 35 LEU H H 35 7.880 7.880 7.969 -0.089 19007 10651 1 20 . 1 1 36 36 ASP N N 36 118.760 118.760 118.529 0.231 19007 10652 1 20 . 1 1 36 36 ASP HA H 36 4.308 4.308 4.360 -0.052 19007 10653 1 20 . 1 1 36 36 ASP C C 36 178.819 178.819 178.413 0.406 19007 10654 1 20 . 1 1 36 36 ASP CA C 36 57.570 57.570 57.997 -0.427 19007 10655 1 20 . 1 1 36 36 ASP CB C 36 41.500 41.500 40.422 1.078 19007 10656 1 20 . 1 1 36 36 ASP H H 36 7.580 7.580 7.611 -0.031 19007 10657 1 20 . 1 1 37 37 GLY N N 37 107.520 107.520 108.480 -0.960 19007 10658 1 20 . 1 1 37 37 GLY C C 37 176.678 176.678 176.482 0.196 19007 10659 1 20 . 1 1 37 37 GLY CA C 37 47.340 47.340 47.173 0.167 19007 10660 1 20 . 1 1 37 37 GLY H H 37 8.210 8.210 7.447 0.763 19007 10661 1 20 . 1 1 38 38 LEU N N 38 123.680 123.680 122.413 1.267 19007 10662 1 20 . 1 1 38 38 LEU HA H 38 4.007 4.007 4.143 -0.136 19007 10663 1 20 . 1 1 38 38 LEU C C 38 177.769 177.769 178.909 -1.140 19007 10664 1 20 . 1 1 38 38 LEU CA C 38 57.970 57.970 56.784 1.186 19007 10665 1 20 . 1 1 38 38 LEU CB C 38 42.250 42.250 40.847 1.403 19007 10666 1 20 . 1 1 38 38 LEU H H 38 8.800 8.800 7.521 1.279 19007 10667 1 20 . 1 1 39 39 GLN N N 39 118.840 118.840 119.889 -1.049 19007 10668 1 20 . 1 1 39 39 GLN HA H 39 3.887 3.887 3.900 -0.013 19007 10669 1 20 . 1 1 39 39 GLN C C 39 178.443 178.443 178.586 -0.143 19007 10670 1 20 . 1 1 39 39 GLN CA C 39 59.450 59.450 59.429 0.021 19007 10671 1 20 . 1 1 39 39 GLN CB C 39 28.400 28.400 28.530 -0.130 19007 10672 1 20 . 1 1 39 39 GLN H H 39 8.460 8.460 8.553 -0.093 19007 10673 1 20 . 1 1 40 40 ASN N N 40 116.110 116.110 118.387 -2.277 19007 10674 1 20 . 1 1 40 40 ASN HA H 40 4.488 4.488 4.490 -0.002 19007 10675 1 20 . 1 1 40 40 ASN C C 40 177.491 177.491 177.750 -0.259 19007 10676 1 20 . 1 1 40 40 ASN CA C 40 56.330 56.330 56.168 0.162 19007 10677 1 20 . 1 1 40 40 ASN CB C 40 39.230 39.230 38.671 0.559 19007 10678 1 20 . 1 1 40 40 ASN H H 40 7.810 7.810 8.504 -0.694 19007 10679 1 20 . 1 1 41 41 MET N N 41 119.840 119.840 120.777 -0.937 19007 10680 1 20 . 1 1 41 41 MET HA H 41 4.344 4.344 4.139 0.205 19007 10681 1 20 . 1 1 41 41 MET C C 41 177.551 177.551 178.282 -0.731 19007 10682 1 20 . 1 1 41 41 MET CA C 41 58.140 58.140 59.304 -1.164 19007 10683 1 20 . 1 1 41 41 MET CB C 41 32.600 32.600 32.782 -0.182 19007 10684 1 20 . 1 1 41 41 MET H H 41 8.060 8.060 8.030 0.030 19007 10685 1 20 . 1 1 42 42 LEU N N 42 116.680 116.680 118.900 -2.220 19007 10686 1 20 . 1 1 42 42 LEU HA H 42 4.236 4.236 3.924 0.312 19007 10687 1 20 . 1 1 42 42 LEU C C 42 177.055 177.055 179.044 -1.989 19007 10688 1 20 . 1 1 42 42 LEU CA C 42 55.850 55.850 57.988 -2.138 19007 10689 1 20 . 1 1 42 42 LEU CB C 42 41.490 41.490 41.374 0.116 19007 10690 1 20 . 1 1 42 42 LEU H H 42 8.280 8.280 8.669 -0.389 19007 10691 1 20 . 1 1 43 43 SER N N 43 113.420 113.420 113.430 -0.010 19007 10692 1 20 . 1 1 43 43 SER HA H 43 4.452 4.452 4.271 0.181 19007 10693 1 20 . 1 1 43 43 SER C C 43 174.755 174.755 175.646 -0.891 19007 10694 1 20 . 1 1 43 43 SER CA C 43 59.340 59.340 61.085 -1.745 19007 10695 1 20 . 1 1 43 43 SER CB C 43 63.580 63.580 63.169 0.411 19007 10696 1 20 . 1 1 43 43 SER H H 43 7.650 7.650 7.641 0.009 19007 10697 1 20 . 1 1 44 44 ILE N N 44 120.390 120.390 118.679 1.711 19007 10698 1 20 . 1 1 44 44 ILE HA H 44 4.188 4.188 4.018 0.170 19007 10699 1 20 . 1 1 44 44 ILE C C 44 176.440 176.440 177.383 -0.943 19007 10700 1 20 . 1 1 44 44 ILE CA C 44 61.500 61.500 63.013 -1.513 19007 10701 1 20 . 1 1 44 44 ILE CB C 44 38.640 38.640 38.221 0.419 19007 10702 1 20 . 1 1 44 44 ILE H H 44 7.590 7.590 7.158 0.432 19007 10703 1 20 . 1 1 45 45 GLU N N 45 118.850 118.850 119.364 -0.514 19007 10704 1 20 . 1 1 45 45 GLU HA H 45 4.272 4.272 4.161 0.111 19007 10705 1 20 . 1 1 45 45 GLU C C 45 176.698 176.698 177.241 -0.543 19007 10706 1 20 . 1 1 45 45 GLU CA C 45 61.950 61.950 58.874 3.076 19007 10707 1 20 . 1 1 45 45 GLU CB C 45 29.840 29.840 30.663 -0.823 19007 10708 1 20 . 1 1 45 45 GLU H H 45 8.200 8.200 8.182 0.018 19007 10709 1 20 . 1 1 46 46 GLN N N 46 118.260 118.260 115.191 3.069 19007 10710 1 20 . 1 1 46 46 GLN HA H 46 4.212 4.212 4.637 -0.425 19007 10711 1 20 . 1 1 46 46 GLN C C 46 176.361 176.361 174.439 1.922 19007 10712 1 20 . 1 1 46 46 GLN CA C 46 56.770 56.770 55.589 1.181 19007 10713 1 20 . 1 1 46 46 GLN CB C 46 28.920 28.920 30.110 -1.190 19007 10714 1 20 . 1 1 46 46 GLN H H 46 8.270 8.270 8.060 0.210 19007 10715 1 20 . 1 1 47 47 TYR N N 47 117.690 117.690 118.723 -1.033 19007 10716 1 20 . 1 1 47 47 TYR HA H 47 4.701 4.701 4.829 -0.128 19007 10717 1 20 . 1 1 47 47 TYR C C 47 175.588 175.588 174.901 0.687 19007 10718 1 20 . 1 1 47 47 TYR CA C 47 58.290 58.290 57.624 0.666 19007 10719 1 20 . 1 1 47 47 TYR CB C 47 39.250 39.250 39.505 -0.255 19007 10720 1 20 . 1 1 47 47 TYR H H 47 7.980 7.980 8.490 -0.510 19007 10721 1 20 . 1 1 48 48 THR N N 48 108.930 108.930 118.188 -9.258 19007 10722 1 20 . 1 1 48 48 THR HA H 48 4.464 4.464 4.054 0.410 19007 10723 1 20 . 1 1 48 48 THR C C 48 176.381 176.381 174.020 2.361 19007 10724 1 20 . 1 1 48 48 THR CA C 48 61.150 61.150 61.573 -0.423 19007 10725 1 20 . 1 1 48 48 THR CB C 48 70.190 70.190 68.185 2.005 19007 10726 1 20 . 1 1 48 48 THR H H 48 7.570 7.570 7.442 0.128 19007 10727 1 20 . 1 1 49 49 ASP N N 49 121.350 121.350 124.693 -3.343 19007 10728 1 20 . 1 1 49 49 ASP HA H 49 4.752 4.752 4.337 0.415 19007 10729 1 20 . 1 1 49 49 ASP C C 49 177.015 177.015 177.002 0.013 19007 10730 1 20 . 1 1 49 49 ASP CA C 49 53.710 53.710 56.284 -2.574 19007 10731 1 20 . 1 1 49 49 ASP CB C 49 41.200 41.200 41.609 -0.409 19007 10732 1 20 . 1 1 49 49 ASP H H 49 8.100 8.100 8.110 -0.010 19007 10733 1 20 . 1 1 50 50 GLY N N 50 112.360 112.360 106.225 6.135 19007 10734 1 20 . 1 1 50 50 GLY C C 50 175.449 175.449 174.260 1.189 19007 10735 1 20 . 1 1 50 50 GLY CA C 50 46.000 46.000 45.088 0.912 19007 10736 1 20 . 1 1 50 50 GLY H H 50 9.080 9.080 8.138 0.942 19007 10737 1 20 . 1 1 51 51 LYS N N 51 119.510 119.510 121.075 -1.565 19007 10738 1 20 . 1 1 51 51 LYS HA H 51 4.200 4.200 4.607 -0.407 19007 10739 1 20 . 1 1 51 51 LYS C C 51 177.214 177.214 175.305 1.909 19007 10740 1 20 . 1 1 51 51 LYS CA C 51 56.540 56.540 55.802 0.738 19007 10741 1 20 . 1 1 51 51 LYS CB C 51 31.420 31.420 33.997 -2.577 19007 10742 1 20 . 1 1 51 51 LYS H H 51 8.590 8.590 8.871 -0.281 19007 10743 1 20 . 1 1 52 52 GLY N N 52 108.180 108.180 108.884 -0.704 19007 10744 1 20 . 1 1 52 52 GLY C C 52 174.279 174.279 172.109 2.170 19007 10745 1 20 . 1 1 52 52 GLY CA C 52 45.450 45.450 45.248 0.202 19007 10746 1 20 . 1 1 52 52 GLY H H 52 8.670 8.670 7.699 0.971 19007 10747 1 20 . 1 1 53 53 GLN N N 53 120.010 120.010 121.098 -1.088 19007 10748 1 20 . 1 1 53 53 GLN HA H 53 4.440 4.440 4.781 -0.341 19007 10749 1 20 . 1 1 53 53 GLN C C 53 175.001 175.001 173.690 1.311 19007 10750 1 20 . 1 1 53 53 GLN CA C 53 54.580 54.580 53.759 0.821 19007 10751 1 20 . 1 1 53 53 GLN CB C 53 30.330 30.330 30.749 -0.419 19007 10752 1 20 . 1 1 53 53 GLN H H 53 7.860 7.860 8.249 -0.389 19007 10753 1 20 . 1 1 54 54 LYS N N 54 120.420 120.420 124.630 -4.210 19007 10754 1 20 . 1 1 54 54 LYS HA H 54 4.704 4.704 4.913 -0.209 19007 10755 1 20 . 1 1 54 54 LYS C C 54 176.753 176.753 175.305 1.448 19007 10756 1 20 . 1 1 54 54 LYS CA C 54 55.830 55.830 55.366 0.464 19007 10757 1 20 . 1 1 54 54 LYS CB C 54 33.850 33.850 34.641 -0.791 19007 10758 1 20 . 1 1 54 54 LYS H H 54 8.250 8.250 9.194 -0.944 19007 10759 1 20 . 1 1 55 55 ILE N N 55 125.360 125.360 129.661 -4.301 19007 10760 1 20 . 1 1 55 55 ILE HA H 55 4.169 4.169 4.641 -0.472 19007 10761 1 20 . 1 1 55 55 ILE C C 55 174.405 174.405 175.017 -0.612 19007 10762 1 20 . 1 1 55 55 ILE CA C 55 60.350 60.350 60.231 0.119 19007 10763 1 20 . 1 1 55 55 ILE CB C 55 39.690 39.690 38.225 1.465 19007 10764 1 20 . 1 1 55 55 ILE H H 55 9.050 9.050 8.627 0.423 19007 10765 1 20 . 1 1 56 56 SER N N 56 121.850 121.850 121.383 0.467 19007 10766 1 20 . 1 1 56 56 SER HA H 56 4.480 4.480 4.790 -0.309 19007 10767 1 20 . 1 1 56 56 SER C C 56 174.105 174.105 173.602 0.503 19007 10768 1 20 . 1 1 56 56 SER CA C 56 57.410 57.410 56.898 0.512 19007 10769 1 20 . 1 1 56 56 SER CB C 56 64.080 64.080 62.341 1.739 19007 10770 1 20 . 1 1 56 56 SER H H 56 8.330 8.330 8.074 0.256 19007 10771 1 20 . 1 1 57 57 VAL N N 57 123.190 123.190 126.742 -3.552 19007 10772 1 20 . 1 1 57 57 VAL HA H 57 4.861 4.861 3.863 0.998 19007 10773 1 20 . 1 1 57 57 VAL C C 57 174.869 174.869 174.941 -0.072 19007 10774 1 20 . 1 1 57 57 VAL CA C 57 61.130 61.130 62.664 -1.534 19007 10775 1 20 . 1 1 57 57 VAL CB C 57 33.600 33.600 31.082 2.518 19007 10776 1 20 . 1 1 57 57 VAL H H 57 8.680 8.680 7.801 0.879 19007 10777 1 20 . 1 1 58 58 HIS N N 58 129.590 129.590 127.717 1.873 19007 10778 1 20 . 1 1 58 58 HIS HA H 58 5.076 5.076 4.889 0.187 19007 10779 1 20 . 1 1 58 58 HIS C C 58 174.351 174.351 174.713 -0.362 19007 10780 1 20 . 1 1 58 58 HIS CA C 58 54.420 54.420 54.137 0.283 19007 10781 1 20 . 1 1 58 58 HIS CB C 58 31.720 31.720 30.198 1.522 19007 10782 1 20 . 1 1 58 58 HIS H H 58 9.050 9.050 8.603 0.447 19007 10783 1 20 . 1 1 59 59 VAL N N 59 125.260 125.260 120.558 4.702 19007 10784 1 20 . 1 1 59 59 VAL HA H 59 4.408 4.408 4.506 -0.098 19007 10785 1 20 . 1 1 59 59 VAL C C 59 174.460 174.460 175.037 -0.577 19007 10786 1 20 . 1 1 59 59 VAL CA C 59 62.370 62.370 61.248 1.122 19007 10787 1 20 . 1 1 59 59 VAL CB C 59 32.760 32.760 31.494 1.266 19007 10788 1 20 . 1 1 59 59 VAL H H 59 8.800 8.800 8.478 0.322 19007 10789 1 20 . 1 1 60 60 LYS N N 60 128.520 128.520 127.684 0.836 19007 10790 1 20 . 1 1 60 60 LYS HA H 60 4.909 4.909 4.565 0.344 19007 10791 1 20 . 1 1 60 60 LYS C C 60 175.825 175.825 175.844 -0.019 19007 10792 1 20 . 1 1 60 60 LYS CA C 60 54.450 54.450 55.343 -0.893 19007 10793 1 20 . 1 1 60 60 LYS CB C 60 32.490 32.490 30.958 1.532 19007 10794 1 20 . 1 1 60 60 LYS H H 60 9.040 9.040 8.169 0.871 19007 10795 1 20 . 1 1 61 61 LEU N N 61 121.430 121.430 121.128 0.302 19007 10796 1 20 . 1 1 61 61 LEU HA H 61 4.527 4.527 4.313 0.214 19007 10797 1 20 . 1 1 61 61 LEU C C 61 178.910 178.910 177.478 1.432 19007 10798 1 20 . 1 1 61 61 LEU CA C 61 54.410 54.410 56.086 -1.676 19007 10799 1 20 . 1 1 61 61 LEU CB C 61 44.330 44.330 43.195 1.135 19007 10800 1 20 . 1 1 61 61 LEU H H 61 8.700 8.700 7.864 0.836 19007 10801 1 20 . 1 1 62 62 GLY N N 62 110.520 110.520 105.299 5.221 19007 10802 1 20 . 1 1 62 62 GLY C C 62 175.350 175.350 173.494 1.856 19007 10803 1 20 . 1 1 62 62 GLY CA C 62 46.710 46.710 44.442 2.268 19007 10804 1 20 . 1 1 62 62 GLY H H 62 9.060 9.060 8.087 0.973 19007 10805 1 20 . 1 1 63 63 ASN N N 63 127.090 127.090 119.822 7.268 19007 10806 1 20 . 1 1 63 63 ASN HA H 63 4.778 4.778 4.172 0.606 19007 10807 1 20 . 1 1 63 63 ASN C C 63 174.214 174.214 176.235 -2.021 19007 10808 1 20 . 1 1 63 63 ASN CA C 63 52.910 52.910 54.116 -1.206 19007 10809 1 20 . 1 1 63 63 ASN CB C 63 38.100 38.100 37.185 0.915 19007 10810 1 20 . 1 1 63 63 ASN H H 63 10.390 10.390 8.562 1.828 19007 10811 1 20 . 1 1 64 64 ARG N N 64 121.850 121.850 116.905 4.945 19007 10812 1 20 . 1 1 64 64 ARG HA H 64 4.265 4.265 3.947 0.318 19007 10813 1 20 . 1 1 64 64 ARG C C 64 174.214 174.214 175.916 -1.702 19007 10814 1 20 . 1 1 64 64 ARG CA C 64 56.330 56.330 57.527 -1.197 19007 10815 1 20 . 1 1 64 64 ARG CB C 64 33.860 33.860 30.047 3.813 19007 10816 1 20 . 1 1 64 64 ARG H H 64 7.520 7.520 7.532 -0.012 19007 10817 1 20 . 1 1 65 65 PHE N N 65 127.760 127.760 113.708 14.052 19007 10818 1 20 . 1 1 65 65 PHE HA H 65 4.503 4.503 4.036 0.467 19007 10819 1 20 . 1 1 65 65 PHE C C 65 176.508 176.508 174.128 2.380 19007 10820 1 20 . 1 1 65 65 PHE CA C 65 56.760 56.760 58.108 -1.348 19007 10821 1 20 . 1 1 65 65 PHE CB C 65 40.430 40.430 37.851 2.579 19007 10822 1 20 . 1 1 65 65 PHE H H 65 8.580 8.580 8.076 0.504 19007 10823 1 20 . 1 1 66 66 LEU N N 66 125.260 125.260 118.833 6.427 19007 10824 1 20 . 1 1 66 66 LEU HA H 66 4.288 4.288 4.089 0.199 19007 10825 1 20 . 1 1 66 66 LEU C C 66 176.508 176.508 176.533 -0.025 19007 10826 1 20 . 1 1 66 66 LEU CA C 66 53.080 53.080 54.508 -1.428 19007 10827 1 20 . 1 1 66 66 LEU CB C 66 43.170 43.170 43.426 -0.256 19007 10828 1 20 . 1 1 66 66 LEU H H 66 8.040 8.040 7.327 0.713 19007 10829 1 20 . 1 1 67 67 TYR N N 67 120.480 120.480 122.975 -2.495 19007 10830 1 20 . 1 1 67 67 TYR HA H 67 4.515 4.515 4.441 0.074 19007 10831 1 20 . 1 1 67 67 TYR C C 67 177.791 177.791 176.982 0.809 19007 10832 1 20 . 1 1 67 67 TYR CA C 67 58.120 58.120 57.863 0.257 19007 10833 1 20 . 1 1 67 67 TYR CB C 67 39.320 39.320 37.217 2.103 19007 10834 1 20 . 1 1 67 67 TYR H H 67 7.880 7.880 8.181 -0.301 19007 10835 1 20 . 1 1 68 68 LYS N N 68 125.020 125.020 124.809 0.211 19007 10836 1 20 . 1 1 68 68 LYS HA H 68 4.034 4.034 3.914 0.120 19007 10837 1 20 . 1 1 68 68 LYS C C 68 178.364 178.364 178.535 -0.171 19007 10838 1 20 . 1 1 68 68 LYS CA C 68 60.130 60.130 59.506 0.624 19007 10839 1 20 . 1 1 68 68 LYS CB C 68 32.150 32.150 32.430 -0.280 19007 10840 1 20 . 1 1 68 68 LYS H H 68 9.120 9.120 8.581 0.539 19007 10841 1 20 . 1 1 69 69 GLU N N 69 116.430 116.430 118.239 -1.809 19007 10842 1 20 . 1 1 69 69 GLU HA H 69 4.133 4.133 4.151 -0.018 19007 10843 1 20 . 1 1 69 69 GLU C C 69 179.538 179.538 178.622 0.916 19007 10844 1 20 . 1 1 69 69 GLU CA C 69 60.030 60.030 59.153 0.877 19007 10845 1 20 . 1 1 69 69 GLU CB C 69 28.560 28.560 28.739 -0.179 19007 10846 1 20 . 1 1 69 69 GLU H H 69 9.460 9.460 8.835 0.625 19007 10847 1 20 . 1 1 70 70 GLN N N 70 117.670 117.670 118.849 -1.179 19007 10848 1 20 . 1 1 70 70 GLN HA H 70 4.120 4.120 4.097 0.023 19007 10849 1 20 . 1 1 70 70 GLN C C 70 177.955 177.955 178.087 -0.132 19007 10850 1 20 . 1 1 70 70 GLN CA C 70 57.950 57.950 59.172 -1.222 19007 10851 1 20 . 1 1 70 70 GLN CB C 70 29.290 29.290 28.817 0.473 19007 10852 1 20 . 1 1 70 70 GLN H H 70 7.000 7.000 7.877 -0.877 19007 10853 1 20 . 1 1 71 71 GLU N N 71 120.850 120.850 119.083 1.767 19007 10854 1 20 . 1 1 71 71 GLU HA H 71 3.668 3.668 4.099 -0.431 19007 10855 1 20 . 1 1 71 71 GLU C C 71 179.429 179.429 178.948 0.481 19007 10856 1 20 . 1 1 71 71 GLU CA C 71 60.620 60.620 59.390 1.230 19007 10857 1 20 . 1 1 71 71 GLU CB C 71 29.660 29.660 29.446 0.214 19007 10858 1 20 . 1 1 71 71 GLU H H 71 8.080 8.080 7.734 0.346 19007 10859 1 20 . 1 1 72 72 GLU N N 72 119.670 119.670 119.445 0.225 19007 10860 1 20 . 1 1 72 72 GLU HA H 72 4.038 4.038 4.032 0.006 19007 10861 1 20 . 1 1 72 72 GLU C C 72 178.446 178.446 179.106 -0.660 19007 10862 1 20 . 1 1 72 72 GLU CA C 72 59.690 59.690 59.424 0.266 19007 10863 1 20 . 1 1 72 72 GLU CB C 72 29.350 29.350 29.415 -0.065 19007 10864 1 20 . 1 1 72 72 GLU H H 72 8.390 8.390 7.805 0.585 19007 10865 1 20 . 1 1 73 73 GLN N N 73 119.030 119.030 117.686 1.344 19007 10866 1 20 . 1 1 73 73 GLN HA H 73 4.110 4.110 4.083 0.027 19007 10867 1 20 . 1 1 73 73 GLN C C 73 179.320 179.320 178.361 0.959 19007 10868 1 20 . 1 1 73 73 GLN CA C 73 59.470 59.470 58.402 1.068 19007 10869 1 20 . 1 1 73 73 GLN CB C 73 29.480 29.480 28.244 1.236 19007 10870 1 20 . 1 1 73 73 GLN H H 73 7.730 7.730 8.485 -0.755 19007 10871 1 20 . 1 1 74 74 LEU N N 74 119.760 119.760 115.215 4.545 19007 10872 1 20 . 1 1 74 74 LEU HA H 74 3.918 3.918 4.459 -0.541 19007 10873 1 20 . 1 1 74 74 LEU C C 74 177.818 177.818 179.078 -1.260 19007 10874 1 20 . 1 1 74 74 LEU CA C 74 58.720 58.720 57.133 1.587 19007 10875 1 20 . 1 1 74 74 LEU CB C 74 42.890 42.890 41.546 1.344 19007 10876 1 20 . 1 1 74 74 LEU H H 74 8.290 8.290 7.347 0.943 19007 10877 1 20 . 1 1 75 75 THR N N 75 113.520 113.520 114.126 -0.606 19007 10878 1 20 . 1 1 75 75 THR HA H 75 3.680 3.680 4.118 -0.438 19007 10879 1 20 . 1 1 75 75 THR C C 75 176.480 176.480 175.981 0.499 19007 10880 1 20 . 1 1 75 75 THR CA C 75 66.990 66.990 64.942 2.048 19007 10881 1 20 . 1 1 75 75 THR CB C 75 68.640 68.640 68.772 -0.132 19007 10882 1 20 . 1 1 75 75 THR H H 75 8.450 8.450 8.047 0.403 19007 10883 1 20 . 1 1 76 76 GLU N N 76 121.340 121.340 121.056 0.284 19007 10884 1 20 . 1 1 76 76 GLU HA H 76 4.014 4.014 4.055 -0.041 19007 10885 1 20 . 1 1 76 76 GLU C C 76 178.965 178.965 178.586 0.379 19007 10886 1 20 . 1 1 76 76 GLU CA C 76 59.190 59.190 59.615 -0.425 19007 10887 1 20 . 1 1 76 76 GLU CB C 76 29.590 29.590 29.338 0.252 19007 10888 1 20 . 1 1 76 76 GLU H H 76 8.330 8.330 7.889 0.441 19007 10889 1 20 . 1 1 77 77 LEU N N 77 120.170 120.170 118.164 2.006 19007 10890 1 20 . 1 1 77 77 LEU HA H 77 3.955 3.955 4.130 -0.175 19007 10891 1 20 . 1 1 77 77 LEU C C 77 180.057 180.057 178.470 1.587 19007 10892 1 20 . 1 1 77 77 LEU CA C 77 58.510 58.510 57.413 1.097 19007 10893 1 20 . 1 1 77 77 LEU CB C 77 42.716 42.716 41.538 1.178 19007 10894 1 20 . 1 1 77 77 LEU H H 77 7.560 7.560 7.506 0.054 19007 10895 1 20 . 1 1 78 78 ILE N N 78 119.930 119.930 116.481 3.449 19007 10896 1 20 . 1 1 78 78 ILE HA H 78 3.429 3.429 4.172 -0.743 19007 10897 1 20 . 1 1 78 78 ILE C C 78 176.043 176.043 177.533 -1.490 19007 10898 1 20 . 1 1 78 78 ILE CA C 78 65.740 65.740 60.764 4.976 19007 10899 1 20 . 1 1 78 78 ILE CB C 78 37.960 37.960 37.156 0.804 19007 10900 1 20 . 1 1 78 78 ILE H H 78 7.740 7.740 7.473 0.267 19007 10901 1 20 . 1 1 79 79 ALA N N 79 116.940 116.940 125.330 -8.390 19007 10902 1 20 . 1 1 79 79 ALA HA H 79 4.229 4.229 4.083 0.146 19007 10903 1 20 . 1 1 79 79 ALA C C 79 178.719 178.719 179.491 -0.772 19007 10904 1 20 . 1 1 79 79 ALA CA C 79 53.390 53.390 54.976 -1.586 19007 10905 1 20 . 1 1 79 79 ALA CB C 79 18.500 18.500 18.259 0.241 19007 10906 1 20 . 1 1 79 79 ALA H H 79 8.210 8.210 7.784 0.426 19007 10907 1 20 . 1 1 80 80 SER N N 80 113.260 113.260 113.502 -0.242 19007 10908 1 20 . 1 1 80 80 SER HA H 80 4.253 4.253 4.354 -0.101 19007 10909 1 20 . 1 1 80 80 SER C C 80 174.869 174.869 174.920 -0.051 19007 10910 1 20 . 1 1 80 80 SER CA C 80 60.550 60.550 60.308 0.242 19007 10911 1 20 . 1 1 80 80 SER CB C 80 63.130 63.130 63.187 -0.057 19007 10912 1 20 . 1 1 80 80 SER H H 80 7.600 7.600 8.217 -0.617 19007 10913 1 20 . 1 1 81 81 LYS N N 81 123.510 123.510 116.518 6.992 19007 10914 1 20 . 1 1 81 81 LYS HA H 81 4.527 4.527 4.565 -0.038 19007 10915 1 20 . 1 1 81 81 LYS C C 81 176.289 176.289 175.069 1.220 19007 10916 1 20 . 1 1 81 81 LYS CA C 81 54.000 54.000 55.332 -1.332 19007 10917 1 20 . 1 1 81 81 LYS CB C 81 30.440 30.440 32.424 -1.984 19007 10918 1 20 . 1 1 81 81 LYS H H 81 7.690 7.690 7.728 -0.038 19007 10919 1 20 . 1 1 82 82 LYS N N 82 120.760 120.760 123.611 -2.851 19007 10920 1 20 . 1 1 82 82 LYS HA H 82 4.539 4.539 4.208 0.331 19007 10921 1 20 . 1 1 82 82 LYS C C 82 176.835 176.835 176.061 0.774 19007 10922 1 20 . 1 1 82 82 LYS CA C 82 59.090 59.090 56.924 2.166 19007 10923 1 20 . 1 1 82 82 LYS CB C 82 32.330 32.330 31.350 0.980 19007 10924 1 20 . 1 1 82 82 LYS H H 82 8.190 8.190 7.897 0.293 19007 10925 1 20 . 1 1 83 83 ASP N N 83 117.280 117.280 121.621 -4.341 19007 10926 1 20 . 1 1 83 83 ASP HA H 83 4.659 4.659 4.702 -0.043 19007 10927 1 20 . 1 1 83 83 ASP C C 83 174.460 174.460 175.460 -1.000 19007 10928 1 20 . 1 1 83 83 ASP CA C 83 55.390 55.390 54.391 0.999 19007 10929 1 20 . 1 1 83 83 ASP CB C 83 40.680 40.680 41.309 -0.629 19007 10930 1 20 . 1 1 83 83 ASP H H 83 8.670 8.670 8.243 0.427 19007 10931 1 20 . 1 1 84 84 LEU N N 84 117.780 117.780 118.020 -0.240 19007 10932 1 20 . 1 1 84 84 LEU HA H 84 5.100 5.100 4.565 0.535 19007 10933 1 20 . 1 1 84 84 LEU C C 84 176.753 176.753 177.164 -0.411 19007 10934 1 20 . 1 1 84 84 LEU CA C 84 54.560 54.560 52.884 1.676 19007 10935 1 20 . 1 1 84 84 LEU CB C 84 43.690 43.690 42.841 0.849 19007 10936 1 20 . 1 1 84 84 LEU H H 84 7.640 7.640 7.535 0.105 19007 10937 1 20 . 1 1 85 85 PHE N N 85 117.610 117.610 120.928 -3.318 19007 10938 1 20 . 1 1 85 85 PHE HA H 85 4.754 4.754 4.548 0.206 19007 10939 1 20 . 1 1 85 85 PHE C C 85 173.204 173.204 174.479 -1.275 19007 10940 1 20 . 1 1 85 85 PHE CA C 85 56.400 56.400 57.786 -1.387 19007 10941 1 20 . 1 1 85 85 PHE CB C 85 42.000 42.000 37.587 4.413 19007 10942 1 20 . 1 1 85 85 PHE H H 85 8.280 8.280 8.517 -0.237 19007 10943 1 20 . 1 1 86 86 VAL N N 86 123.600 123.600 121.895 1.705 19007 10944 1 20 . 1 1 86 86 VAL HA H 86 3.882 3.882 4.684 -0.802 19007 10945 1 20 . 1 1 86 86 VAL C C 86 174.651 174.651 175.122 -0.471 19007 10946 1 20 . 1 1 86 86 VAL CA C 86 63.640 63.640 60.283 3.357 19007 10947 1 20 . 1 1 86 86 VAL CB C 86 31.440 31.440 33.289 -1.849 19007 10948 1 20 . 1 1 86 86 VAL H H 86 8.880 8.880 7.937 0.943 19007 10949 1 20 . 1 1 87 87 HIS N N 87 130.690 130.690 127.754 2.936 19007 10950 1 20 . 1 1 87 87 HIS HA H 87 4.420 4.420 4.734 -0.314 19007 10951 1 20 . 1 1 87 87 HIS C C 87 175.497 175.497 173.305 2.192 19007 10952 1 20 . 1 1 87 87 HIS CA C 87 58.090 58.090 55.651 2.439 19007 10953 1 20 . 1 1 87 87 HIS CB C 87 32.870 32.870 32.817 0.053 19007 10954 1 20 . 1 1 87 87 HIS H H 87 9.320 9.320 8.834 0.486 19007 10955 1 20 . 1 1 88 88 SER N N 88 109.280 109.280 122.181 -12.901 19007 10956 1 20 . 1 1 88 88 SER HA H 88 4.503 4.503 5.949 -1.446 19007 10957 1 20 . 1 1 88 88 SER C C 88 172.248 172.248 173.308 -1.060 19007 10958 1 20 . 1 1 88 88 SER CA C 88 57.560 57.560 56.149 1.411 19007 10959 1 20 . 1 1 88 88 SER CB C 88 64.890 64.890 65.456 -0.566 19007 10960 1 20 . 1 1 88 88 SER H H 88 7.370 7.370 8.711 -1.341 19007 10961 1 20 . 1 1 89 89 ILE N N 89 122.260 122.260 124.009 -1.749 19007 10962 1 20 . 1 1 89 89 ILE HA H 89 4.265 4.265 4.500 -0.235 19007 10963 1 20 . 1 1 89 89 ILE C C 89 174.569 174.569 172.788 1.781 19007 10964 1 20 . 1 1 89 89 ILE CA C 89 61.110 61.110 60.997 0.113 19007 10965 1 20 . 1 1 89 89 ILE CB C 89 39.960 39.960 41.666 -1.706 19007 10966 1 20 . 1 1 89 89 ILE H H 89 8.400 8.400 8.200 0.200 19007 10967 1 20 . 1 1 90 90 ASP N N 90 126.690 126.690 125.063 1.627 19007 10968 1 20 . 1 1 90 90 ASP HA H 90 5.064 5.064 5.992 -0.928 19007 10969 1 20 . 1 1 90 90 ASP C C 90 174.469 174.469 176.375 -1.906 19007 10970 1 20 . 1 1 90 90 ASP CA C 90 53.600 53.600 51.659 1.941 19007 10971 1 20 . 1 1 90 90 ASP CB C 90 44.230 44.230 44.057 0.173 19007 10972 1 20 . 1 1 90 90 ASP H H 90 8.800 8.800 8.444 0.356 19007 10973 1 20 . 1 1 91 91 SER N N 91 116.760 116.760 117.538 -0.778 19007 10974 1 20 . 1 1 91 91 SER HA H 91 4.781 4.781 4.539 0.242 19007 10975 1 20 . 1 1 91 91 SER C C 91 173.164 173.164 174.215 -1.051 19007 10976 1 20 . 1 1 91 91 SER CA C 91 57.430 57.430 58.194 -0.764 19007 10977 1 20 . 1 1 91 91 SER CB C 91 65.250 65.250 62.077 3.173 19007 10978 1 20 . 1 1 91 91 SER H H 91 8.500 8.500 8.649 -0.149 19007 10979 1 20 . 1 1 92 92 GLU N N 92 123.420 123.420 124.013 -0.593 19007 10980 1 20 . 1 1 92 92 GLU HA H 92 4.355 4.355 4.239 0.116 19007 10981 1 20 . 1 1 92 92 GLU C C 92 176.419 176.419 176.141 0.278 19007 10982 1 20 . 1 1 92 92 GLU CA C 92 56.250 56.250 56.615 -0.365 19007 10983 1 20 . 1 1 92 92 GLU CB C 92 30.730 30.730 28.984 1.746 19007 10984 1 20 . 1 1 92 92 GLU H H 92 8.620 8.620 8.005 0.615 19007 10985 1 20 . 1 1 93 93 VAL N N 93 122.090 122.090 123.401 -1.311 19007 10986 1 20 . 1 1 93 93 VAL HA H 93 4.105 4.105 4.103 0.002 19007 10987 1 20 . 1 1 93 93 VAL CA C 93 62.240 62.240 61.873 0.367 19007 10988 1 20 . 1 1 93 93 VAL CB C 93 32.860 32.860 32.736 0.124 19007 10989 1 20 . 1 1 93 93 VAL H H 93 8.220 8.220 8.447 -0.227 19007 10990 1 20 . 1 1 96 96 LYS HA H 96 4.079 4.079 4.406 -0.327 19007 10991 1 20 . 1 1 96 96 LYS C C 96 176.053 176.053 176.180 -0.127 19007 10992 1 20 . 1 1 96 96 LYS CA C 96 62.497 62.497 55.757 6.740 19007 10993 1 20 . 1 1 96 96 LYS CB C 96 32.776 32.776 33.614 -0.838 19007 10994 1 20 . 1 1 97 97 LYS N N 97 126.170 126.170 125.764 0.406 19007 10995 1 20 . 1 1 97 97 LYS HA H 97 4.300 4.300 4.293 0.007 19007 10996 1 20 . 1 1 97 97 LYS C C 97 176.665 176.665 176.259 0.406 19007 10997 1 20 . 1 1 97 97 LYS CA C 97 56.730 56.730 56.181 0.549 19007 10998 1 20 . 1 1 97 97 LYS CB C 97 33.020 33.020 33.184 -0.165 19007 10999 1 20 . 1 1 97 97 LYS H H 97 8.500 8.500 8.500 -0.000 19007 11000 1 20 . 1 1 98 98 GLU N N 98 122.020 122.020 120.799 1.221 19007 11001 1 20 . 1 1 98 98 GLU HA H 98 4.226 4.226 4.290 -0.064 19007 11002 1 20 . 1 1 98 98 GLU C C 98 176.382 176.382 175.910 0.472 19007 11003 1 20 . 1 1 98 98 GLU CA C 98 56.890 56.890 56.312 0.578 19007 11004 1 20 . 1 1 98 98 GLU CB C 98 30.410 30.410 30.188 0.223 19007 11005 1 20 . 1 1 98 98 GLU H H 98 8.470 8.470 8.527 -0.057 19007 11006 1 20 . 1 1 99 99 ALA N N 99 124.770 124.770 128.800 -4.030 19007 11007 1 20 . 1 1 99 99 ALA HA H 99 4.281 4.281 4.530 -0.249 19007 11008 1 20 . 1 1 99 99 ALA C C 99 177.723 177.723 176.745 0.978 19007 11009 1 20 . 1 1 99 99 ALA CA C 99 52.880 52.880 51.436 1.444 19007 11010 1 20 . 1 1 99 99 ALA CB C 99 19.320 19.320 19.465 -0.145 19007 11011 1 20 . 1 1 99 99 ALA H H 99 8.310 8.310 8.380 -0.070 19007 11012 1 20 . 1 1 100 100 GLN N N 100 119.190 119.190 121.512 -2.322 19007 11013 1 20 . 1 1 100 100 GLN HA H 100 4.266 4.266 4.382 -0.116 19007 11014 1 20 . 1 1 100 100 GLN CA C 100 56.000 56.000 55.091 0.909 19007 11015 1 20 . 1 1 100 100 GLN CB C 100 29.970 29.970 29.697 0.273 19007 11016 1 20 . 1 1 100 100 GLN H H 100 8.280 8.280 8.450 -0.170 19007 11017 1 20 . 1 1 101 101 GLN N N 101 120.421 120.421 124.460 -4.039 19007 11018 1 20 . 1 1 101 101 GLN HA H 101 4.650 4.650 4.398 0.252 19007 11019 1 20 . 1 1 101 101 GLN C C 101 175.725 175.725 174.578 1.147 19007 11020 1 20 . 1 1 101 101 GLN CA C 101 56.073 56.073 55.436 0.637 19007 11021 1 20 . 1 1 101 101 GLN CB C 101 29.524 29.524 27.428 2.096 19007 11022 1 20 . 1 1 101 101 GLN H H 101 8.114 8.114 8.617 -0.503 19007 11023 1 20 . 1 1 102 102 ILE N N 102 122.940 122.940 122.996 -0.056 19007 11024 1 20 . 1 1 102 102 ILE HA H 102 4.119 4.119 4.442 -0.323 19007 11025 1 20 . 1 1 102 102 ILE C C 102 175.916 175.916 174.384 1.532 19007 11026 1 20 . 1 1 102 102 ILE CA C 102 61.260 61.260 60.783 0.477 19007 11027 1 20 . 1 1 102 102 ILE CB C 102 38.790 38.790 38.837 -0.047 19007 11028 1 20 . 1 1 102 102 ILE H H 102 8.240 8.240 7.742 0.498 19007 11029 1 20 . 1 1 103 103 ARG N N 103 125.780 125.780 128.087 -2.307 19007 11030 1 20 . 1 1 103 103 ARG HA H 103 4.369 4.369 4.660 -0.291 19007 11031 1 20 . 1 1 103 103 ARG C C 103 175.752 175.752 175.585 0.167 19007 11032 1 20 . 1 1 103 103 ARG CA C 103 55.940 55.940 55.499 0.441 19007 11033 1 20 . 1 1 103 103 ARG CB C 103 31.340 31.340 31.441 -0.101 19007 11034 1 20 . 1 1 103 103 ARG H H 103 8.400 8.400 8.486 -0.086 19007 11035 1 20 . 1 1 104 104 GLU N N 104 123.840 123.840 121.245 2.595 19007 11036 1 20 . 1 1 104 104 GLU HA H 104 4.296 4.296 4.403 -0.107 19007 11037 1 20 . 1 1 104 104 GLU C C 104 175.314 175.314 175.971 -0.657 19007 11038 1 20 . 1 1 104 104 GLU CA C 104 56.430 56.430 56.753 -0.323 19007 11039 1 20 . 1 1 104 104 GLU CB C 104 30.560 30.560 29.672 0.887 19007 11040 1 20 . 1 1 104 104 GLU H H 104 8.510 8.510 8.651 -0.141 19007 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 92 3.418 0.264 3.427 19007 2 1 1 "Average Difference" HA 100 0.369 0.063 0.365 19007 3 1 1 "Average Difference" C 92 1.120 -0.241 1.100 19007 4 1 1 "Average Difference" CA 96 1.618 -0.388 1.579 19007 5 1 1 "Average Difference" CB 90 1.669 -0.255 1.659 19007 6 1 1 "Average Difference" HN 92 0.598 -0.106 0.592 19007 7 1 2 "Average Difference" N 92 3.374 0.596 3.339 19007 8 1 2 "Average Difference" HA 100 0.364 0.068 0.360 19007 9 1 2 "Average Difference" C 92 1.135 -0.270 1.108 19007 10 1 2 "Average Difference" CA 96 1.616 -0.494 1.546 19007 11 1 2 "Average Difference" CB 90 1.543 -0.355 1.510 19007 12 1 2 "Average Difference" HN 92 0.617 -0.029 0.620 19007 13 1 3 "Average Difference" N 92 3.517 0.382 3.515 19007 14 1 3 "Average Difference" HA 100 0.366 0.043 0.365 19007 15 1 3 "Average Difference" C 92 1.100 -0.173 1.092 19007 16 1 3 "Average Difference" CA 96 1.628 -0.368 1.594 19007 17 1 3 "Average Difference" CB 90 1.706 -0.417 1.663 19007 18 1 3 "Average Difference" HN 92 0.601 -0.097 0.597 19007 19 1 4 "Average Difference" N 92 3.484 -0.056 3.502 19007 20 1 4 "Average Difference" HA 100 0.376 0.062 0.373 19007 21 1 4 "Average Difference" C 92 1.143 -0.289 1.112 19007 22 1 4 "Average Difference" CA 96 1.539 -0.488 1.467 19007 23 1 4 "Average Difference" CB 90 1.669 -0.381 1.634 19007 24 1 4 "Average Difference" HN 92 0.611 -0.096 0.606 19007 25 1 5 "Average Difference" N 92 3.820 0.285 3.830 19007 26 1 5 "Average Difference" HA 100 0.373 0.063 0.370 19007 27 1 5 "Average Difference" C 92 1.144 -0.278 1.116 19007 28 1 5 "Average Difference" CA 96 1.573 -0.433 1.521 19007 29 1 5 "Average Difference" CB 90 1.665 -0.283 1.650 19007 30 1 5 "Average Difference" HN 92 0.637 -0.098 0.633 19007 31 1 6 "Average Difference" N 92 3.318 0.186 3.331 19007 32 1 6 "Average Difference" HA 100 0.385 0.060 0.382 19007 33 1 6 "Average Difference" C 92 1.159 -0.276 1.132 19007 34 1 6 "Average Difference" CA 96 1.660 -0.461 1.603 19007 35 1 6 "Average Difference" CB 90 1.643 -0.307 1.623 19007 36 1 6 "Average Difference" HN 92 0.626 -0.101 0.621 19007 37 1 7 "Average Difference" N 92 3.479 0.284 3.487 19007 38 1 7 "Average Difference" HA 100 0.400 0.065 0.397 19007 39 1 7 "Average Difference" C 92 1.155 -0.271 1.129 19007 40 1 7 "Average Difference" CA 96 1.585 -0.356 1.552 19007 41 1 7 "Average Difference" CB 90 1.696 -0.223 1.691 19007 42 1 7 "Average Difference" HN 92 0.602 -0.052 0.603 19007 43 1 8 "Average Difference" N 92 3.394 0.258 3.403 19007 44 1 8 "Average Difference" HA 100 0.410 0.066 0.407 19007 45 1 8 "Average Difference" C 92 1.129 -0.277 1.101 19007 46 1 8 "Average Difference" CA 96 1.659 -0.426 1.612 19007 47 1 8 "Average Difference" CB 90 1.713 -0.284 1.699 19007 48 1 8 "Average Difference" HN 92 0.616 -0.081 0.614 19007 49 1 9 "Average Difference" N 92 3.471 0.269 3.479 19007 50 1 9 "Average Difference" HA 100 0.365 0.061 0.361 19007 51 1 9 "Average Difference" C 92 1.145 -0.262 1.121 19007 52 1 9 "Average Difference" CA 96 1.548 -0.438 1.492 19007 53 1 9 "Average Difference" CB 90 1.561 -0.319 1.536 19007 54 1 9 "Average Difference" HN 92 0.596 -0.094 0.591 19007 55 1 10 "Average Difference" N 92 3.637 0.327 3.642 19007 56 1 10 "Average Difference" HA 100 0.376 0.067 0.372 19007 57 1 10 "Average Difference" C 92 1.150 -0.207 1.137 19007 58 1 10 "Average Difference" CA 96 1.691 -0.367 1.659 19007 59 1 10 "Average Difference" CB 90 1.592 -0.330 1.566 19007 60 1 10 "Average Difference" HN 92 0.573 -0.118 0.564 19007 61 1 11 "Average Difference" N 92 3.579 0.236 3.591 19007 62 1 11 "Average Difference" HA 100 0.373 0.056 0.371 19007 63 1 11 "Average Difference" C 92 1.118 -0.356 1.066 19007 64 1 11 "Average Difference" CA 96 1.570 -0.441 1.515 19007 65 1 11 "Average Difference" CB 90 1.598 -0.230 1.590 19007 66 1 11 "Average Difference" HN 92 0.612 -0.134 0.601 19007 67 1 12 "Average Difference" N 92 3.532 0.182 3.547 19007 68 1 12 "Average Difference" HA 100 0.392 0.079 0.386 19007 69 1 12 "Average Difference" C 92 1.217 -0.326 1.179 19007 70 1 12 "Average Difference" CA 96 1.628 -0.475 1.566 19007 71 1 12 "Average Difference" CB 90 1.704 -0.284 1.690 19007 72 1 12 "Average Difference" HN 92 0.628 -0.137 0.616 19007 73 1 13 "Average Difference" N 92 3.395 0.190 3.409 19007 74 1 13 "Average Difference" HA 100 0.369 0.062 0.366 19007 75 1 13 "Average Difference" C 92 1.106 -0.312 1.066 19007 76 1 13 "Average Difference" CA 96 1.548 -0.471 1.483 19007 77 1 13 "Average Difference" CB 90 1.611 -0.306 1.590 19007 78 1 13 "Average Difference" HN 92 0.615 -0.068 0.615 19007 79 1 14 "Average Difference" N 92 3.509 0.437 3.500 19007 80 1 14 "Average Difference" HA 100 0.354 0.068 0.349 19007 81 1 14 "Average Difference" C 92 1.237 -0.269 1.213 19007 82 1 14 "Average Difference" CA 96 1.620 -0.400 1.578 19007 83 1 14 "Average Difference" CB 90 1.722 -0.312 1.703 19007 84 1 14 "Average Difference" HN 92 0.592 -0.113 0.585 19007 85 1 15 "Average Difference" N 92 3.467 0.323 3.471 19007 86 1 15 "Average Difference" HA 100 0.348 0.042 0.348 19007 87 1 15 "Average Difference" C 92 1.030 -0.266 1.000 19007 88 1 15 "Average Difference" CA 96 1.498 -0.430 1.442 19007 89 1 15 "Average Difference" CB 90 1.591 -0.375 1.555 19007 90 1 15 "Average Difference" HN 92 0.628 -0.087 0.625 19007 91 1 16 "Average Difference" N 92 3.472 0.377 3.470 19007 92 1 16 "Average Difference" HA 100 0.387 0.069 0.383 19007 93 1 16 "Average Difference" C 92 1.174 -0.250 1.153 19007 94 1 16 "Average Difference" CA 96 1.593 -0.307 1.572 19007 95 1 16 "Average Difference" CB 90 1.655 -0.177 1.655 19007 96 1 16 "Average Difference" HN 92 0.592 -0.005 0.596 19007 97 1 17 "Average Difference" N 92 3.580 0.122 3.597 19007 98 1 17 "Average Difference" HA 100 0.365 0.058 0.362 19007 99 1 17 "Average Difference" C 92 1.101 -0.282 1.070 19007 100 1 17 "Average Difference" CA 96 1.591 -0.448 1.535 19007 101 1 17 "Average Difference" CB 90 1.641 -0.330 1.617 19007 102 1 17 "Average Difference" HN 92 0.610 -0.155 0.593 19007 103 1 18 "Average Difference" N 92 3.478 0.051 3.497 19007 104 1 18 "Average Difference" HA 100 0.357 0.060 0.354 19007 105 1 18 "Average Difference" C 92 1.116 -0.234 1.097 19007 106 1 18 "Average Difference" CA 96 1.701 -0.435 1.653 19007 107 1 18 "Average Difference" CB 90 1.649 -0.360 1.618 19007 108 1 18 "Average Difference" HN 92 0.562 -0.109 0.554 19007 109 1 19 "Average Difference" N 92 3.883 -0.291 3.893 19007 110 1 19 "Average Difference" HA 100 0.368 0.053 0.366 19007 111 1 19 "Average Difference" C 92 1.119 -0.269 1.092 19007 112 1 19 "Average Difference" CA 96 1.683 -0.425 1.637 19007 113 1 19 "Average Difference" CB 90 1.610 -0.213 1.604 19007 114 1 19 "Average Difference" HN 92 0.600 -0.146 0.585 19007 115 1 20 "Average Difference" N 92 3.867 -0.135 3.886 19007 116 1 20 "Average Difference" HA 100 0.395 0.048 0.394 19007 117 1 20 "Average Difference" C 92 1.151 -0.327 1.109 19007 118 1 20 "Average Difference" CA 96 1.674 -0.465 1.616 19007 119 1 20 "Average Difference" CB 90 1.522 -0.307 1.500 19007 120 1 20 "Average Difference" HN 92 0.584 -0.173 0.561 19007 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 19007 _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 6 6 THR HA H 6 4.321 4.321 4.404 -0.083 19007 2 1 . 1 1 6 6 THR C C 6 174.339 174.339 174.176 0.163 19007 3 1 . 1 1 6 6 THR CA C 6 62.139 62.139 62.008 0.131 19007 4 1 . 1 1 6 6 THR CB C 6 69.788 69.788 69.683 0.105 19007 5 1 . 1 1 7 7 LYS N N 7 124.350 124.350 120.248 4.102 19007 6 1 . 1 1 7 7 LYS HA H 7 4.265 4.265 4.340 -0.075 19007 7 1 . 1 1 7 7 LYS C C 7 176.341 176.341 175.398 0.943 19007 8 1 . 1 1 7 7 LYS CA C 7 56.980 56.980 56.085 0.895 19007 9 1 . 1 1 7 7 LYS CB C 7 33.110 33.110 33.457 -0.347 19007 10 1 . 1 1 7 7 LYS H H 7 8.320 8.320 8.162 0.158 19007 11 1 . 1 1 8 8 LYS N N 8 123.170 123.170 120.514 2.656 19007 12 1 . 1 1 8 8 LYS HA H 8 4.253 4.253 4.518 -0.265 19007 13 1 . 1 1 8 8 LYS C C 8 176.083 176.083 175.900 0.183 19007 14 1 . 1 1 8 8 LYS CA C 8 56.450 56.450 55.541 0.909 19007 15 1 . 1 1 8 8 LYS CB C 8 33.480 33.480 34.354 -0.874 19007 16 1 . 1 1 8 8 LYS H H 8 8.340 8.340 8.295 0.045 19007 17 1 . 1 1 9 9 GLN N N 9 123.010 123.010 119.488 3.522 19007 18 1 . 1 1 9 9 GLN HA H 9 4.289 4.289 4.414 -0.125 19007 19 1 . 1 1 9 9 GLN C C 9 174.914 174.914 175.511 -0.597 19007 20 1 . 1 1 9 9 GLN CA C 9 56.520 56.520 57.126 -0.606 19007 21 1 . 1 1 9 9 GLN CB C 9 30.790 30.790 29.325 1.465 19007 22 1 . 1 1 9 9 GLN H H 9 8.440 8.440 8.632 -0.192 19007 23 1 . 1 1 10 10 GLN N N 10 121.180 121.180 119.062 2.118 19007 24 1 . 1 1 10 10 GLN HA H 10 4.769 4.769 4.587 0.182 19007 25 1 . 1 1 10 10 GLN C C 10 175.865 175.865 174.805 1.060 19007 26 1 . 1 1 10 10 GLN CA C 10 55.580 55.580 55.074 0.506 19007 27 1 . 1 1 10 10 GLN CB C 10 29.630 29.630 29.961 -0.331 19007 28 1 . 1 1 10 10 GLN H H 10 8.170 8.170 8.034 0.136 19007 29 1 . 1 1 11 11 TYR N N 11 120.110 120.110 121.011 -0.901 19007 30 1 . 1 1 11 11 TYR HA H 11 4.769 4.769 4.734 0.035 19007 31 1 . 1 1 11 11 TYR C C 11 174.319 174.319 173.077 1.242 19007 32 1 . 1 1 11 11 TYR CA C 11 58.490 58.490 56.914 1.576 19007 33 1 . 1 1 11 11 TYR CB C 11 39.350 39.350 40.588 -1.238 19007 34 1 . 1 1 11 11 TYR H H 11 8.470 8.470 8.253 0.217 19007 35 1 . 1 1 12 12 VAL N N 12 117.030 117.030 121.783 -4.753 19007 36 1 . 1 1 12 12 VAL HA H 12 4.793 4.793 5.119 -0.326 19007 37 1 . 1 1 12 12 VAL C C 12 174.636 174.636 174.399 0.237 19007 38 1 . 1 1 12 12 VAL CA C 12 60.730 60.730 60.682 0.048 19007 39 1 . 1 1 12 12 VAL CB C 12 34.790 34.790 35.154 -0.364 19007 40 1 . 1 1 12 12 VAL H H 12 7.590 7.590 8.289 -0.699 19007 41 1 . 1 1 13 13 THR N N 13 121.770 121.770 122.858 -1.088 19007 42 1 . 1 1 13 13 THR HA H 13 4.615 4.615 4.714 -0.099 19007 43 1 . 1 1 13 13 THR C C 13 173.030 173.030 172.342 0.688 19007 44 1 . 1 1 13 13 THR CA C 13 61.540 61.540 61.582 -0.042 19007 45 1 . 1 1 13 13 THR CB C 13 71.050 71.050 70.847 0.203 19007 46 1 . 1 1 13 13 THR H H 13 8.620 8.620 8.614 0.006 19007 47 1 . 1 1 14 14 ILE N N 14 126.190 126.190 126.728 -0.538 19007 48 1 . 1 1 14 14 ILE HA H 14 4.781 4.781 4.524 0.257 19007 49 1 . 1 1 14 14 ILE C C 14 175.112 175.112 174.538 0.574 19007 50 1 . 1 1 14 14 ILE CA C 14 61.120 61.120 60.530 0.590 19007 51 1 . 1 1 14 14 ILE CB C 14 40.340 40.340 40.425 -0.085 19007 52 1 . 1 1 14 14 ILE H H 14 8.890 8.890 8.562 0.328 19007 53 1 . 1 1 15 15 LYS N N 15 127.020 127.020 127.975 -0.955 19007 54 1 . 1 1 15 15 LYS HA H 15 4.734 4.734 4.681 0.053 19007 55 1 . 1 1 15 15 LYS C C 15 175.409 175.409 175.247 0.162 19007 56 1 . 1 1 15 15 LYS CA C 15 54.740 54.740 55.279 -0.539 19007 57 1 . 1 1 15 15 LYS CB C 15 35.430 35.430 34.092 1.339 19007 58 1 . 1 1 15 15 LYS H H 15 8.850 8.850 8.996 -0.146 19007 59 1 . 1 1 16 16 GLY N N 16 112.120 112.120 112.435 -0.315 19007 60 1 . 1 1 16 16 GLY C C 16 172.566 172.566 173.575 -1.009 19007 61 1 . 1 1 16 16 GLY CA C 16 45.560 45.560 45.282 0.279 19007 62 1 . 1 1 16 16 GLY H H 16 8.870 8.870 8.545 0.325 19007 63 1 . 1 1 17 17 THR N N 17 114.520 114.520 114.756 -0.236 19007 64 1 . 1 1 17 17 THR HA H 17 4.753 4.753 4.438 0.315 19007 65 1 . 1 1 17 17 THR CA C 17 60.360 60.360 61.990 -1.630 19007 66 1 . 1 1 17 17 THR CB C 17 72.040 72.040 69.620 2.420 19007 67 1 . 1 1 17 17 THR H H 17 8.380 8.380 7.916 0.464 19007 68 1 . 1 1 19 19 ASN HA H 19 4.778 4.778 5.052 -0.274 19007 69 1 . 1 1 19 19 ASN C C 19 174.616 174.616 175.134 -0.518 19007 70 1 . 1 1 19 19 ASN CA C 19 53.700 53.700 52.269 1.431 19007 71 1 . 1 1 19 19 ASN CB C 19 39.018 39.018 40.836 -1.818 19007 72 1 . 1 1 20 20 GLY N N 20 108.600 108.600 108.417 0.183 19007 73 1 . 1 1 20 20 GLY C C 20 172.297 172.297 173.587 -1.290 19007 74 1 . 1 1 20 20 GLY CA C 20 46.310 46.310 45.912 0.398 19007 75 1 . 1 1 20 20 GLY H H 20 7.590 7.590 8.528 -0.938 19007 76 1 . 1 1 21 21 LEU N N 21 123.210 123.210 121.610 1.600 19007 77 1 . 1 1 21 21 LEU HA H 21 5.015 5.015 4.832 0.183 19007 78 1 . 1 1 21 21 LEU C C 21 176.202 176.202 174.624 1.578 19007 79 1 . 1 1 21 21 LEU CA C 21 54.090 54.090 55.368 -1.278 19007 80 1 . 1 1 21 21 LEU CB C 21 45.940 45.940 44.309 1.631 19007 81 1 . 1 1 21 21 LEU H H 21 8.760 8.760 8.144 0.616 19007 82 1 . 1 1 22 22 THR N N 22 120.430 120.430 123.638 -3.208 19007 83 1 . 1 1 22 22 THR HA H 22 5.191 5.191 4.859 0.332 19007 84 1 . 1 1 22 22 THR C C 22 172.852 172.852 173.368 -0.516 19007 85 1 . 1 1 22 22 THR CA C 22 61.850 61.850 61.677 0.173 19007 86 1 . 1 1 22 22 THR CB C 22 69.800 69.800 68.948 0.852 19007 87 1 . 1 1 22 22 THR H H 22 9.150 9.150 8.863 0.287 19007 88 1 . 1 1 23 23 LEU N N 23 127.110 127.110 123.121 3.989 19007 89 1 . 1 1 23 23 LEU HA H 23 4.910 4.910 5.505 -0.595 19007 90 1 . 1 1 23 23 LEU C C 23 174.200 174.200 174.504 -0.304 19007 91 1 . 1 1 23 23 LEU CA C 23 52.770 52.770 53.199 -0.429 19007 92 1 . 1 1 23 23 LEU CB C 23 44.220 44.220 45.692 -1.472 19007 93 1 . 1 1 23 23 LEU H H 23 8.870 8.870 8.197 0.673 19007 94 1 . 1 1 24 24 HIS N N 24 124.600 124.600 120.686 3.914 19007 95 1 . 1 1 24 24 HIS HA H 24 4.875 4.875 5.626 -0.751 19007 96 1 . 1 1 24 24 HIS C C 24 174.033 174.033 172.915 1.118 19007 97 1 . 1 1 24 24 HIS CA C 24 56.000 56.000 54.856 1.144 19007 98 1 . 1 1 24 24 HIS CB C 24 30.400 30.400 33.789 -3.389 19007 99 1 . 1 1 24 24 HIS H H 24 9.160 9.160 9.022 0.138 19007 100 1 . 1 1 25 25 LEU N N 25 125.950 125.950 127.606 -1.656 19007 101 1 . 1 1 25 25 LEU HA H 25 4.382 4.382 4.829 -0.447 19007 102 1 . 1 1 25 25 LEU C C 25 175.806 175.806 173.974 1.832 19007 103 1 . 1 1 25 25 LEU CA C 25 53.250 53.250 53.701 -0.451 19007 104 1 . 1 1 25 25 LEU CB C 25 41.030 41.030 45.857 -4.827 19007 105 1 . 1 1 25 25 LEU H H 25 8.420 8.420 8.197 0.223 19007 106 1 . 1 1 26 26 ASP N N 26 126.170 126.170 126.720 -0.550 19007 107 1 . 1 1 26 26 ASP HA H 26 4.344 4.344 5.095 -0.751 19007 108 1 . 1 1 26 26 ASP C C 26 176.302 176.302 174.292 2.010 19007 109 1 . 1 1 26 26 ASP CA C 26 56.480 56.480 53.566 2.914 19007 110 1 . 1 1 26 26 ASP CB C 26 43.880 43.880 41.942 1.938 19007 111 1 . 1 1 26 26 ASP H H 26 8.630 8.630 8.327 0.303 19007 112 1 . 1 1 27 27 ASP N N 27 122.430 122.430 121.885 0.545 19007 113 1 . 1 1 27 27 ASP HA H 27 4.540 4.540 4.821 -0.281 19007 114 1 . 1 1 27 27 ASP C C 27 176.381 176.381 173.921 2.460 19007 115 1 . 1 1 27 27 ASP CA C 27 54.060 54.060 53.540 0.520 19007 116 1 . 1 1 27 27 ASP CB C 27 40.820 40.820 44.433 -3.613 19007 117 1 . 1 1 27 27 ASP H H 27 8.150 8.150 7.817 0.333 19007 118 1 . 1 1 28 28 ALA N N 28 123.520 123.520 124.468 -0.948 19007 119 1 . 1 1 28 28 ALA HA H 28 4.600 4.600 4.749 -0.149 19007 120 1 . 1 1 28 28 ALA C C 28 178.324 178.324 177.138 1.186 19007 121 1 . 1 1 28 28 ALA CA C 28 52.860 52.860 51.289 1.571 19007 122 1 . 1 1 28 28 ALA CB C 28 20.790 20.790 20.738 0.052 19007 123 1 . 1 1 28 28 ALA H H 28 8.480 8.480 8.410 0.070 19007 124 1 . 1 1 29 29 CYS N N 29 115.580 115.580 117.219 -1.639 19007 125 1 . 1 1 29 29 CYS HA H 29 4.680 4.680 4.138 0.542 19007 126 1 . 1 1 29 29 CYS C C 29 174.696 174.696 173.999 0.697 19007 127 1 . 1 1 29 29 CYS CA C 29 56.060 56.060 59.784 -3.724 19007 128 1 . 1 1 29 29 CYS CB C 29 29.050 29.050 25.762 3.288 19007 129 1 . 1 1 29 29 CYS H H 29 7.510 7.510 8.753 -1.243 19007 130 1 . 1 1 30 30 SER N N 30 119.090 119.090 113.917 5.173 19007 131 1 . 1 1 30 30 SER HA H 30 4.500 4.500 4.525 -0.025 19007 132 1 . 1 1 30 30 SER CA C 30 58.370 58.370 57.185 1.185 19007 133 1 . 1 1 30 30 SER CB C 30 64.170 64.170 65.185 -1.015 19007 134 1 . 1 1 30 30 SER H H 30 9.170 9.170 7.671 1.499 19007 135 1 . 1 1 31 31 PHE HA H 31 4.041 4.041 4.678 -0.637 19007 136 1 . 1 1 31 31 PHE C C 31 176.440 176.440 175.935 0.505 19007 137 1 . 1 1 31 31 PHE CA C 31 62.491 62.491 57.159 5.332 19007 138 1 . 1 1 31 31 PHE CB C 31 39.018 39.018 40.082 -1.064 19007 139 1 . 1 1 32 32 ASP N N 32 116.020 116.020 123.201 -7.181 19007 140 1 . 1 1 32 32 ASP HA H 32 4.139 4.139 4.646 -0.507 19007 141 1 . 1 1 32 32 ASP C C 32 178.978 178.978 176.632 2.346 19007 142 1 . 1 1 32 32 ASP CA C 32 57.670 57.670 53.763 3.907 19007 143 1 . 1 1 32 32 ASP CB C 32 40.290 40.290 39.913 0.377 19007 144 1 . 1 1 32 32 ASP H H 32 8.370 8.370 8.772 -0.402 19007 145 1 . 1 1 33 33 GLU N N 33 120.170 120.170 120.613 -0.443 19007 146 1 . 1 1 33 33 GLU HA H 33 4.149 4.149 4.175 -0.026 19007 147 1 . 1 1 33 33 GLU C C 33 179.256 179.256 177.904 1.352 19007 148 1 . 1 1 33 33 GLU CA C 33 58.810 58.810 58.862 -0.052 19007 149 1 . 1 1 33 33 GLU CB C 33 29.510 29.510 29.266 0.243 19007 150 1 . 1 1 33 33 GLU H H 33 7.560 7.560 8.537 -0.977 19007 151 1 . 1 1 34 34 LEU N N 34 121.930 121.930 119.139 2.791 19007 152 1 . 1 1 34 34 LEU HA H 34 3.755 3.755 4.275 -0.520 19007 153 1 . 1 1 34 34 LEU C C 34 178.205 178.205 178.531 -0.326 19007 154 1 . 1 1 34 34 LEU CA C 34 57.910 57.910 56.287 1.623 19007 155 1 . 1 1 34 34 LEU CB C 34 41.980 41.980 41.425 0.554 19007 156 1 . 1 1 34 34 LEU H H 34 7.730 7.730 8.108 -0.378 19007 157 1 . 1 1 35 35 LEU N N 35 118.190 118.190 120.937 -2.747 19007 158 1 . 1 1 35 35 LEU HA H 35 3.575 3.575 4.165 -0.590 19007 159 1 . 1 1 35 35 LEU C C 35 179.295 179.295 178.165 1.130 19007 160 1 . 1 1 35 35 LEU CA C 35 57.990 57.990 57.699 0.291 19007 161 1 . 1 1 35 35 LEU CB C 35 40.900 40.900 42.466 -1.566 19007 162 1 . 1 1 35 35 LEU H H 35 7.880 7.880 7.802 0.078 19007 163 1 . 1 1 36 36 ASP N N 36 118.760 118.760 119.193 -0.433 19007 164 1 . 1 1 36 36 ASP HA H 36 4.308 4.308 4.345 -0.037 19007 165 1 . 1 1 36 36 ASP C C 36 178.819 178.819 178.490 0.329 19007 166 1 . 1 1 36 36 ASP CA C 36 57.570 57.570 57.751 -0.181 19007 167 1 . 1 1 36 36 ASP CB C 36 41.500 41.500 40.485 1.015 19007 168 1 . 1 1 36 36 ASP H H 36 7.580 7.580 8.557 -0.977 19007 169 1 . 1 1 37 37 GLY N N 37 107.520 107.520 108.260 -0.740 19007 170 1 . 1 1 37 37 GLY C C 37 176.678 176.678 176.447 0.231 19007 171 1 . 1 1 37 37 GLY CA C 37 47.340 47.340 47.231 0.109 19007 172 1 . 1 1 37 37 GLY H H 37 8.210 8.210 7.955 0.255 19007 173 1 . 1 1 38 38 LEU N N 38 123.680 123.680 122.490 1.190 19007 174 1 . 1 1 38 38 LEU HA H 38 4.007 4.007 4.170 -0.163 19007 175 1 . 1 1 38 38 LEU C C 38 177.769 177.769 178.652 -0.883 19007 176 1 . 1 1 38 38 LEU CA C 38 57.970 57.970 57.191 0.779 19007 177 1 . 1 1 38 38 LEU CB C 38 42.250 42.250 41.347 0.903 19007 178 1 . 1 1 38 38 LEU H H 38 8.800 8.800 7.607 1.193 19007 179 1 . 1 1 39 39 GLN N N 39 118.840 118.840 119.894 -1.054 19007 180 1 . 1 1 39 39 GLN HA H 39 3.887 3.887 3.889 -0.002 19007 181 1 . 1 1 39 39 GLN C C 39 178.443 178.443 178.364 0.079 19007 182 1 . 1 1 39 39 GLN CA C 39 59.450 59.450 59.532 -0.082 19007 183 1 . 1 1 39 39 GLN CB C 39 28.400 28.400 28.372 0.028 19007 184 1 . 1 1 39 39 GLN H H 39 8.460 8.460 8.501 -0.041 19007 185 1 . 1 1 40 40 ASN N N 40 116.110 116.110 118.267 -2.157 19007 186 1 . 1 1 40 40 ASN HA H 40 4.488 4.488 4.482 0.005 19007 187 1 . 1 1 40 40 ASN C C 40 177.491 177.491 177.552 -0.061 19007 188 1 . 1 1 40 40 ASN CA C 40 56.330 56.330 56.080 0.250 19007 189 1 . 1 1 40 40 ASN CB C 40 39.230 39.230 38.668 0.562 19007 190 1 . 1 1 40 40 ASN H H 40 7.810 7.810 8.320 -0.510 19007 191 1 . 1 1 41 41 MET N N 41 119.840 119.840 120.423 -0.583 19007 192 1 . 1 1 41 41 MET HA H 41 4.344 4.344 4.182 0.162 19007 193 1 . 1 1 41 41 MET C C 41 177.551 177.551 178.114 -0.563 19007 194 1 . 1 1 41 41 MET CA C 41 58.140 58.140 58.742 -0.602 19007 195 1 . 1 1 41 41 MET CB C 41 32.600 32.600 32.725 -0.125 19007 196 1 . 1 1 41 41 MET H H 41 8.060 8.060 7.779 0.281 19007 197 1 . 1 1 42 42 LEU N N 42 116.680 116.680 118.995 -2.315 19007 198 1 . 1 1 42 42 LEU HA H 42 4.236 4.236 3.941 0.295 19007 199 1 . 1 1 42 42 LEU C C 42 177.055 177.055 179.117 -2.062 19007 200 1 . 1 1 42 42 LEU CA C 42 55.850 55.850 57.972 -2.122 19007 201 1 . 1 1 42 42 LEU CB C 42 41.490 41.490 41.444 0.046 19007 202 1 . 1 1 42 42 LEU H H 42 8.280 8.280 8.657 -0.377 19007 203 1 . 1 1 43 43 SER N N 43 113.420 113.420 113.559 -0.139 19007 204 1 . 1 1 43 43 SER HA H 43 4.452 4.452 4.214 0.238 19007 205 1 . 1 1 43 43 SER C C 43 174.755 174.755 175.477 -0.722 19007 206 1 . 1 1 43 43 SER CA C 43 59.340 59.340 61.472 -2.132 19007 207 1 . 1 1 43 43 SER CB C 43 63.580 63.580 63.132 0.449 19007 208 1 . 1 1 43 43 SER H H 43 7.650 7.650 7.826 -0.176 19007 209 1 . 1 1 44 44 ILE N N 44 120.390 120.390 118.707 1.683 19007 210 1 . 1 1 44 44 ILE HA H 44 4.188 4.188 4.040 0.148 19007 211 1 . 1 1 44 44 ILE C C 44 176.440 176.440 176.760 -0.320 19007 212 1 . 1 1 44 44 ILE CA C 44 61.500 61.500 62.523 -1.023 19007 213 1 . 1 1 44 44 ILE CB C 44 38.640 38.640 38.465 0.175 19007 214 1 . 1 1 44 44 ILE H H 44 7.590 7.590 7.409 0.181 19007 215 1 . 1 1 45 45 GLU N N 45 118.850 118.850 119.617 -0.767 19007 216 1 . 1 1 45 45 GLU HA H 45 4.272 4.272 4.222 0.050 19007 217 1 . 1 1 45 45 GLU C C 45 176.698 176.698 176.947 -0.249 19007 218 1 . 1 1 45 45 GLU CA C 45 61.950 61.950 58.222 3.728 19007 219 1 . 1 1 45 45 GLU CB C 45 29.840 29.840 31.011 -1.171 19007 220 1 . 1 1 45 45 GLU H H 45 8.200 8.200 8.004 0.196 19007 221 1 . 1 1 46 46 GLN N N 46 118.260 118.260 117.846 0.414 19007 222 1 . 1 1 46 46 GLN HA H 46 4.212 4.212 4.530 -0.318 19007 223 1 . 1 1 46 46 GLN C C 46 176.361 176.361 174.094 2.267 19007 224 1 . 1 1 46 46 GLN CA C 46 56.770 56.770 55.630 1.140 19007 225 1 . 1 1 46 46 GLN CB C 46 28.920 28.920 30.127 -1.207 19007 226 1 . 1 1 46 46 GLN H H 46 8.270 8.270 8.107 0.163 19007 227 1 . 1 1 47 47 TYR N N 47 117.690 117.690 119.647 -1.957 19007 228 1 . 1 1 47 47 TYR HA H 47 4.701 4.701 4.970 -0.269 19007 229 1 . 1 1 47 47 TYR C C 47 175.588 175.588 174.564 1.024 19007 230 1 . 1 1 47 47 TYR CA C 47 58.290 58.290 56.530 1.760 19007 231 1 . 1 1 47 47 TYR CB C 47 39.250 39.250 38.914 0.336 19007 232 1 . 1 1 47 47 TYR H H 47 7.980 7.980 8.220 -0.240 19007 233 1 . 1 1 48 48 THR N N 48 108.930 108.930 117.448 -8.518 19007 234 1 . 1 1 48 48 THR HA H 48 4.464 4.464 4.181 0.283 19007 235 1 . 1 1 48 48 THR C C 48 176.381 176.381 174.084 2.297 19007 236 1 . 1 1 48 48 THR CA C 48 61.150 61.150 61.742 -0.592 19007 237 1 . 1 1 48 48 THR CB C 48 70.190 70.190 68.753 1.437 19007 238 1 . 1 1 48 48 THR H H 48 7.570 7.570 7.551 0.019 19007 239 1 . 1 1 49 49 ASP N N 49 121.350 121.350 125.551 -4.201 19007 240 1 . 1 1 49 49 ASP HA H 49 4.752 4.752 4.588 0.164 19007 241 1 . 1 1 49 49 ASP C C 49 177.015 177.015 176.930 0.085 19007 242 1 . 1 1 49 49 ASP CA C 49 53.710 53.710 54.796 -1.086 19007 243 1 . 1 1 49 49 ASP CB C 49 41.200 41.200 42.390 -1.190 19007 244 1 . 1 1 49 49 ASP H H 49 8.100 8.100 8.165 -0.065 19007 245 1 . 1 1 50 50 GLY N N 50 112.360 112.360 107.586 4.774 19007 246 1 . 1 1 50 50 GLY C C 50 175.449 175.449 174.970 0.479 19007 247 1 . 1 1 50 50 GLY CA C 50 46.000 46.000 45.597 0.403 19007 248 1 . 1 1 50 50 GLY H H 50 9.080 9.080 8.302 0.778 19007 249 1 . 1 1 51 51 LYS N N 51 119.510 119.510 120.484 -0.975 19007 250 1 . 1 1 51 51 LYS HA H 51 4.200 4.200 4.473 -0.273 19007 251 1 . 1 1 51 51 LYS C C 51 177.214 177.214 176.263 0.951 19007 252 1 . 1 1 51 51 LYS CA C 51 56.540 56.540 56.178 0.362 19007 253 1 . 1 1 51 51 LYS CB C 51 31.420 31.420 33.533 -2.113 19007 254 1 . 1 1 51 51 LYS H H 51 8.590 8.590 8.633 -0.043 19007 255 1 . 1 1 52 52 GLY N N 52 108.180 108.180 108.962 -0.782 19007 256 1 . 1 1 52 52 GLY C C 52 174.279 174.279 173.067 1.211 19007 257 1 . 1 1 52 52 GLY CA C 52 45.450 45.450 45.298 0.152 19007 258 1 . 1 1 52 52 GLY H H 52 8.670 8.670 8.150 0.520 19007 259 1 . 1 1 53 53 GLN N N 53 120.010 120.010 120.623 -0.613 19007 260 1 . 1 1 53 53 GLN HA H 53 4.440 4.440 4.304 0.136 19007 261 1 . 1 1 53 53 GLN C C 53 175.001 175.001 175.005 -0.004 19007 262 1 . 1 1 53 53 GLN CA C 53 54.580 54.580 55.254 -0.674 19007 263 1 . 1 1 53 53 GLN CB C 53 30.330 30.330 29.071 1.259 19007 264 1 . 1 1 53 53 GLN H H 53 7.860 7.860 8.234 -0.374 19007 265 1 . 1 1 54 54 LYS N N 54 120.420 120.420 126.717 -6.297 19007 266 1 . 1 1 54 54 LYS HA H 54 4.704 4.704 4.805 -0.101 19007 267 1 . 1 1 54 54 LYS C C 54 176.753 176.753 175.512 1.241 19007 268 1 . 1 1 54 54 LYS CA C 54 55.830 55.830 55.539 0.291 19007 269 1 . 1 1 54 54 LYS CB C 54 33.850 33.850 33.546 0.304 19007 270 1 . 1 1 54 54 LYS H H 54 8.250 8.250 8.772 -0.522 19007 271 1 . 1 1 55 55 ILE N N 55 125.360 125.360 129.811 -4.451 19007 272 1 . 1 1 55 55 ILE HA H 55 4.169 4.169 4.696 -0.527 19007 273 1 . 1 1 55 55 ILE C C 55 174.405 174.405 174.832 -0.427 19007 274 1 . 1 1 55 55 ILE CA C 55 60.350 60.350 60.353 -0.004 19007 275 1 . 1 1 55 55 ILE CB C 55 39.690 39.690 37.762 1.929 19007 276 1 . 1 1 55 55 ILE H H 55 9.050 9.050 8.918 0.132 19007 277 1 . 1 1 56 56 SER N N 56 121.850 121.850 122.485 -0.635 19007 278 1 . 1 1 56 56 SER HA H 56 4.480 4.480 5.065 -0.584 19007 279 1 . 1 1 56 56 SER C C 56 174.105 174.105 173.712 0.393 19007 280 1 . 1 1 56 56 SER CA C 56 57.410 57.410 56.538 0.872 19007 281 1 . 1 1 56 56 SER CB C 56 64.080 64.080 63.355 0.725 19007 282 1 . 1 1 56 56 SER H H 56 8.330 8.330 8.377 -0.047 19007 283 1 . 1 1 57 57 VAL N N 57 123.190 123.190 127.171 -3.981 19007 284 1 . 1 1 57 57 VAL HA H 57 4.861 4.861 4.078 0.783 19007 285 1 . 1 1 57 57 VAL C C 57 174.869 174.869 174.802 0.067 19007 286 1 . 1 1 57 57 VAL CA C 57 61.130 61.130 62.195 -1.065 19007 287 1 . 1 1 57 57 VAL CB C 57 33.600 33.600 30.941 2.659 19007 288 1 . 1 1 57 57 VAL H H 57 8.680 8.680 8.427 0.253 19007 289 1 . 1 1 58 58 HIS N N 58 129.590 129.590 127.697 1.893 19007 290 1 . 1 1 58 58 HIS HA H 58 5.076 5.076 5.032 0.044 19007 291 1 . 1 1 58 58 HIS C C 58 174.351 174.351 174.782 -0.431 19007 292 1 . 1 1 58 58 HIS CA C 58 54.420 54.420 54.115 0.305 19007 293 1 . 1 1 58 58 HIS CB C 58 31.720 31.720 29.929 1.792 19007 294 1 . 1 1 58 58 HIS H H 58 9.050 9.050 8.453 0.597 19007 295 1 . 1 1 59 59 VAL N N 59 125.260 125.260 121.722 3.538 19007 296 1 . 1 1 59 59 VAL HA H 59 4.408 4.408 4.371 0.037 19007 297 1 . 1 1 59 59 VAL C C 59 174.460 174.460 175.127 -0.667 19007 298 1 . 1 1 59 59 VAL CA C 59 62.370 62.370 61.040 1.330 19007 299 1 . 1 1 59 59 VAL CB C 59 32.760 32.760 31.047 1.713 19007 300 1 . 1 1 59 59 VAL H H 59 8.800 8.800 8.424 0.376 19007 301 1 . 1 1 60 60 LYS N N 60 128.520 128.520 127.161 1.359 19007 302 1 . 1 1 60 60 LYS HA H 60 4.909 4.909 4.515 0.394 19007 303 1 . 1 1 60 60 LYS C C 60 175.825 175.825 176.046 -0.221 19007 304 1 . 1 1 60 60 LYS CA C 60 54.450 54.450 55.122 -0.672 19007 305 1 . 1 1 60 60 LYS CB C 60 32.490 32.490 30.895 1.595 19007 306 1 . 1 1 60 60 LYS H H 60 9.040 9.040 8.273 0.767 19007 307 1 . 1 1 61 61 LEU N N 61 121.430 121.430 120.896 0.534 19007 308 1 . 1 1 61 61 LEU HA H 61 4.527 4.527 4.604 -0.077 19007 309 1 . 1 1 61 61 LEU C C 61 178.910 178.910 178.067 0.843 19007 310 1 . 1 1 61 61 LEU CA C 61 54.410 54.410 55.809 -1.399 19007 311 1 . 1 1 61 61 LEU CB C 61 44.330 44.330 42.839 1.491 19007 312 1 . 1 1 61 61 LEU H H 61 8.700 8.700 8.037 0.663 19007 313 1 . 1 1 62 62 GLY N N 62 110.520 110.520 105.098 5.422 19007 314 1 . 1 1 62 62 GLY C C 62 175.350 175.350 174.240 1.110 19007 315 1 . 1 1 62 62 GLY CA C 62 46.710 46.710 45.576 1.134 19007 316 1 . 1 1 62 62 GLY H H 62 9.060 9.060 8.215 0.845 19007 317 1 . 1 1 63 63 ASN N N 63 127.090 127.090 121.821 5.269 19007 318 1 . 1 1 63 63 ASN HA H 63 4.778 4.778 4.642 0.136 19007 319 1 . 1 1 63 63 ASN C C 63 174.214 174.214 175.725 -1.511 19007 320 1 . 1 1 63 63 ASN CA C 63 52.910 52.910 52.910 0.000 19007 321 1 . 1 1 63 63 ASN CB C 63 38.100 38.100 37.368 0.732 19007 322 1 . 1 1 63 63 ASN H H 63 10.390 10.390 8.568 1.822 19007 323 1 . 1 1 64 64 ARG N N 64 121.850 121.850 120.208 1.641 19007 324 1 . 1 1 64 64 ARG HA H 64 4.265 4.265 4.190 0.075 19007 325 1 . 1 1 64 64 ARG C C 64 174.214 174.214 176.606 -2.392 19007 326 1 . 1 1 64 64 ARG CA C 64 56.330 56.330 57.021 -0.692 19007 327 1 . 1 1 64 64 ARG CB C 64 33.860 33.860 30.274 3.586 19007 328 1 . 1 1 64 64 ARG H H 64 7.520 7.520 7.692 -0.172 19007 329 1 . 1 1 65 65 PHE N N 65 127.760 127.760 117.848 9.912 19007 330 1 . 1 1 65 65 PHE HA H 65 4.503 4.503 4.121 0.382 19007 331 1 . 1 1 65 65 PHE C C 65 176.508 176.508 174.176 2.332 19007 332 1 . 1 1 65 65 PHE CA C 65 56.760 56.760 58.280 -1.520 19007 333 1 . 1 1 65 65 PHE CB C 65 40.430 40.430 37.772 2.658 19007 334 1 . 1 1 65 65 PHE H H 65 8.580 8.580 7.936 0.644 19007 335 1 . 1 1 66 66 LEU N N 66 125.260 125.260 122.797 2.463 19007 336 1 . 1 1 66 66 LEU HA H 66 4.288 4.288 4.333 -0.045 19007 337 1 . 1 1 66 66 LEU C C 66 176.508 176.508 176.408 0.100 19007 338 1 . 1 1 66 66 LEU CA C 66 53.080 53.080 54.015 -0.935 19007 339 1 . 1 1 66 66 LEU CB C 66 43.170 43.170 43.680 -0.510 19007 340 1 . 1 1 66 66 LEU H H 66 8.040 8.040 7.743 0.297 19007 341 1 . 1 1 67 67 TYR N N 67 120.480 120.480 123.444 -2.964 19007 342 1 . 1 1 67 67 TYR HA H 67 4.515 4.515 4.401 0.114 19007 343 1 . 1 1 67 67 TYR C C 67 177.791 177.791 176.513 1.278 19007 344 1 . 1 1 67 67 TYR CA C 67 58.120 58.120 57.569 0.551 19007 345 1 . 1 1 67 67 TYR CB C 67 39.320 39.320 36.821 2.499 19007 346 1 . 1 1 67 67 TYR H H 67 7.880 7.880 8.549 -0.669 19007 347 1 . 1 1 68 68 LYS N N 68 125.020 125.020 124.061 0.959 19007 348 1 . 1 1 68 68 LYS HA H 68 4.034 4.034 4.021 0.013 19007 349 1 . 1 1 68 68 LYS C C 68 178.364 178.364 177.947 0.417 19007 350 1 . 1 1 68 68 LYS CA C 68 60.130 60.130 59.335 0.795 19007 351 1 . 1 1 68 68 LYS CB C 68 32.150 32.150 32.254 -0.104 19007 352 1 . 1 1 68 68 LYS H H 68 9.120 9.120 8.073 1.047 19007 353 1 . 1 1 69 69 GLU N N 69 116.430 116.430 118.377 -1.947 19007 354 1 . 1 1 69 69 GLU HA H 69 4.133 4.133 4.061 0.072 19007 355 1 . 1 1 69 69 GLU C C 69 179.538 179.538 178.988 0.550 19007 356 1 . 1 1 69 69 GLU CA C 69 60.030 60.030 59.537 0.493 19007 357 1 . 1 1 69 69 GLU CB C 69 28.560 28.560 28.712 -0.152 19007 358 1 . 1 1 69 69 GLU H H 69 9.460 9.460 8.664 0.796 19007 359 1 . 1 1 70 70 GLN N N 70 117.670 117.670 118.163 -0.493 19007 360 1 . 1 1 70 70 GLN HA H 70 4.120 4.120 4.133 -0.013 19007 361 1 . 1 1 70 70 GLN C C 70 177.955 177.955 178.553 -0.598 19007 362 1 . 1 1 70 70 GLN CA C 70 57.950 57.950 58.707 -0.757 19007 363 1 . 1 1 70 70 GLN CB C 70 29.290 29.290 28.592 0.698 19007 364 1 . 1 1 70 70 GLN H H 70 7.000 7.000 7.982 -0.982 19007 365 1 . 1 1 71 71 GLU N N 71 120.850 120.850 119.224 1.626 19007 366 1 . 1 1 71 71 GLU HA H 71 3.668 3.668 4.101 -0.433 19007 367 1 . 1 1 71 71 GLU C C 71 179.429 179.429 179.015 0.414 19007 368 1 . 1 1 71 71 GLU CA C 71 60.620 60.620 59.004 1.616 19007 369 1 . 1 1 71 71 GLU CB C 71 29.660 29.660 29.208 0.452 19007 370 1 . 1 1 71 71 GLU H H 71 8.080 8.080 7.729 0.351 19007 371 1 . 1 1 72 72 GLU N N 72 119.670 119.670 120.799 -1.129 19007 372 1 . 1 1 72 72 GLU HA H 72 4.038 4.038 3.958 0.080 19007 373 1 . 1 1 72 72 GLU C C 72 178.446 178.446 178.656 -0.210 19007 374 1 . 1 1 72 72 GLU CA C 72 59.690 59.690 59.769 -0.079 19007 375 1 . 1 1 72 72 GLU CB C 72 29.350 29.350 29.537 -0.187 19007 376 1 . 1 1 72 72 GLU H H 72 8.390 8.390 8.449 -0.059 19007 377 1 . 1 1 73 73 GLN N N 73 119.030 119.030 117.597 1.433 19007 378 1 . 1 1 73 73 GLN HA H 73 4.110 4.110 4.077 0.033 19007 379 1 . 1 1 73 73 GLN C C 73 179.320 179.320 178.059 1.261 19007 380 1 . 1 1 73 73 GLN CA C 73 59.470 59.470 58.563 0.907 19007 381 1 . 1 1 73 73 GLN CB C 73 29.480 29.480 28.354 1.126 19007 382 1 . 1 1 73 73 GLN H H 73 7.730 7.730 8.197 -0.467 19007 383 1 . 1 1 74 74 LEU N N 74 119.760 119.760 114.601 5.159 19007 384 1 . 1 1 74 74 LEU HA H 74 3.918 3.918 4.474 -0.556 19007 385 1 . 1 1 74 74 LEU C C 74 177.818 177.818 178.765 -0.947 19007 386 1 . 1 1 74 74 LEU CA C 74 58.720 58.720 57.034 1.686 19007 387 1 . 1 1 74 74 LEU CB C 74 42.890 42.890 41.777 1.113 19007 388 1 . 1 1 74 74 LEU H H 74 8.290 8.290 7.349 0.941 19007 389 1 . 1 1 75 75 THR N N 75 113.520 113.520 116.965 -3.445 19007 390 1 . 1 1 75 75 THR HA H 75 3.680 3.680 4.009 -0.329 19007 391 1 . 1 1 75 75 THR C C 75 176.480 176.480 176.327 0.153 19007 392 1 . 1 1 75 75 THR CA C 75 66.990 66.990 67.009 -0.019 19007 393 1 . 1 1 75 75 THR CB C 75 68.640 68.640 68.329 0.311 19007 394 1 . 1 1 75 75 THR H H 75 8.450 8.450 8.146 0.304 19007 395 1 . 1 1 76 76 GLU N N 76 121.340 121.340 121.305 0.035 19007 396 1 . 1 1 76 76 GLU HA H 76 4.014 4.014 4.006 0.008 19007 397 1 . 1 1 76 76 GLU C C 76 178.965 178.965 178.463 0.502 19007 398 1 . 1 1 76 76 GLU CA C 76 59.190 59.190 59.397 -0.207 19007 399 1 . 1 1 76 76 GLU CB C 76 29.590 29.590 29.167 0.423 19007 400 1 . 1 1 76 76 GLU H H 76 8.330 8.330 8.196 0.134 19007 401 1 . 1 1 77 77 LEU N N 77 120.170 120.170 118.539 1.631 19007 402 1 . 1 1 77 77 LEU HA H 77 3.955 3.955 4.097 -0.142 19007 403 1 . 1 1 77 77 LEU C C 77 180.057 180.057 178.798 1.259 19007 404 1 . 1 1 77 77 LEU CA C 77 58.510 58.510 57.895 0.615 19007 405 1 . 1 1 77 77 LEU CB C 77 42.716 42.716 41.954 0.762 19007 406 1 . 1 1 77 77 LEU H H 77 7.560 7.560 7.438 0.122 19007 407 1 . 1 1 78 78 ILE N N 78 119.930 119.930 117.506 2.424 19007 408 1 . 1 1 78 78 ILE HA H 78 3.429 3.429 3.872 -0.443 19007 409 1 . 1 1 78 78 ILE C C 78 176.043 176.043 177.664 -1.621 19007 410 1 . 1 1 78 78 ILE CA C 78 65.740 65.740 63.032 2.707 19007 411 1 . 1 1 78 78 ILE CB C 78 37.960 37.960 37.799 0.161 19007 412 1 . 1 1 78 78 ILE H H 78 7.740 7.740 7.546 0.194 19007 413 1 . 1 1 79 79 ALA N N 79 116.940 116.940 123.574 -6.634 19007 414 1 . 1 1 79 79 ALA HA H 79 4.229 4.229 4.034 0.195 19007 415 1 . 1 1 79 79 ALA C C 79 178.719 178.719 179.520 -0.801 19007 416 1 . 1 1 79 79 ALA CA C 79 53.390 53.390 55.157 -1.767 19007 417 1 . 1 1 79 79 ALA CB C 79 18.500 18.500 17.878 0.622 19007 418 1 . 1 1 79 79 ALA H H 79 8.210 8.210 8.425 -0.215 19007 419 1 . 1 1 80 80 SER N N 80 113.260 113.260 113.678 -0.418 19007 420 1 . 1 1 80 80 SER HA H 80 4.253 4.253 4.283 -0.030 19007 421 1 . 1 1 80 80 SER C C 80 174.869 174.869 175.125 -0.256 19007 422 1 . 1 1 80 80 SER CA C 80 60.550 60.550 60.502 0.048 19007 423 1 . 1 1 80 80 SER CB C 80 63.130 63.130 63.421 -0.291 19007 424 1 . 1 1 80 80 SER H H 80 7.600 7.600 7.973 -0.373 19007 425 1 . 1 1 81 81 LYS N N 81 123.510 123.510 117.927 5.583 19007 426 1 . 1 1 81 81 LYS HA H 81 4.527 4.527 4.638 -0.111 19007 427 1 . 1 1 81 81 LYS C C 81 176.289 176.289 175.162 1.127 19007 428 1 . 1 1 81 81 LYS CA C 81 54.000 54.000 55.240 -1.240 19007 429 1 . 1 1 81 81 LYS CB C 81 30.440 30.440 32.566 -2.126 19007 430 1 . 1 1 81 81 LYS H H 81 7.690 7.690 7.752 -0.062 19007 431 1 . 1 1 82 82 LYS N N 82 120.760 120.760 121.369 -0.609 19007 432 1 . 1 1 82 82 LYS HA H 82 4.539 4.539 4.227 0.312 19007 433 1 . 1 1 82 82 LYS C C 82 176.835 176.835 175.914 0.921 19007 434 1 . 1 1 82 82 LYS CA C 82 59.090 59.090 56.788 2.302 19007 435 1 . 1 1 82 82 LYS CB C 82 32.330 32.330 30.539 1.791 19007 436 1 . 1 1 82 82 LYS H H 82 8.190 8.190 7.744 0.446 19007 437 1 . 1 1 83 83 ASP N N 83 117.280 117.280 121.258 -3.978 19007 438 1 . 1 1 83 83 ASP HA H 83 4.659 4.659 4.543 0.116 19007 439 1 . 1 1 83 83 ASP C C 83 174.460 174.460 176.167 -1.707 19007 440 1 . 1 1 83 83 ASP CA C 83 55.390 55.390 54.977 0.413 19007 441 1 . 1 1 83 83 ASP CB C 83 40.680 40.680 41.343 -0.663 19007 442 1 . 1 1 83 83 ASP H H 83 8.670 8.670 8.261 0.409 19007 443 1 . 1 1 84 84 LEU N N 84 117.780 117.780 118.772 -0.992 19007 444 1 . 1 1 84 84 LEU HA H 84 5.100 5.100 4.166 0.934 19007 445 1 . 1 1 84 84 LEU C C 84 176.753 176.753 177.525 -0.772 19007 446 1 . 1 1 84 84 LEU CA C 84 54.560 54.560 53.637 0.923 19007 447 1 . 1 1 84 84 LEU CB C 84 43.690 43.690 42.000 1.690 19007 448 1 . 1 1 84 84 LEU H H 84 7.640 7.640 7.549 0.091 19007 449 1 . 1 1 85 85 PHE N N 85 117.610 117.610 120.639 -3.029 19007 450 1 . 1 1 85 85 PHE HA H 85 4.754 4.754 4.528 0.226 19007 451 1 . 1 1 85 85 PHE C C 85 173.204 173.204 174.661 -1.457 19007 452 1 . 1 1 85 85 PHE CA C 85 56.400 56.400 57.582 -1.182 19007 453 1 . 1 1 85 85 PHE CB C 85 42.000 42.000 37.277 4.723 19007 454 1 . 1 1 85 85 PHE H H 85 8.280 8.280 8.275 0.005 19007 455 1 . 1 1 86 86 VAL N N 86 123.600 123.600 122.029 1.571 19007 456 1 . 1 1 86 86 VAL HA H 86 3.882 3.882 4.803 -0.921 19007 457 1 . 1 1 86 86 VAL C C 86 174.651 174.651 175.120 -0.469 19007 458 1 . 1 1 86 86 VAL CA C 86 63.640 63.640 60.711 2.929 19007 459 1 . 1 1 86 86 VAL CB C 86 31.440 31.440 33.533 -2.093 19007 460 1 . 1 1 86 86 VAL H H 86 8.880 8.880 7.885 0.995 19007 461 1 . 1 1 87 87 HIS N N 87 130.690 130.690 127.631 3.059 19007 462 1 . 1 1 87 87 HIS HA H 87 4.420 4.420 4.847 -0.427 19007 463 1 . 1 1 87 87 HIS C C 87 175.497 175.497 173.699 1.798 19007 464 1 . 1 1 87 87 HIS CA C 87 58.090 58.090 55.605 2.485 19007 465 1 . 1 1 87 87 HIS CB C 87 32.870 32.870 32.344 0.527 19007 466 1 . 1 1 87 87 HIS H H 87 9.320 9.320 9.047 0.273 19007 467 1 . 1 1 88 88 SER N N 88 109.280 109.280 121.095 -11.815 19007 468 1 . 1 1 88 88 SER HA H 88 4.503 4.503 5.397 -0.894 19007 469 1 . 1 1 88 88 SER C C 88 172.248 172.248 173.320 -1.072 19007 470 1 . 1 1 88 88 SER CA C 88 57.560 57.560 57.431 0.129 19007 471 1 . 1 1 88 88 SER CB C 88 64.890 64.890 64.991 -0.101 19007 472 1 . 1 1 88 88 SER H H 88 7.370 7.370 8.611 -1.241 19007 473 1 . 1 1 89 89 ILE N N 89 122.260 122.260 124.450 -2.190 19007 474 1 . 1 1 89 89 ILE HA H 89 4.265 4.265 4.505 -0.240 19007 475 1 . 1 1 89 89 ILE C C 89 174.569 174.569 173.173 1.396 19007 476 1 . 1 1 89 89 ILE CA C 89 61.110 61.110 60.442 0.668 19007 477 1 . 1 1 89 89 ILE CB C 89 39.960 39.960 41.408 -1.448 19007 478 1 . 1 1 89 89 ILE H H 89 8.400 8.400 8.884 -0.484 19007 479 1 . 1 1 90 90 ASP N N 90 126.690 126.690 126.003 0.687 19007 480 1 . 1 1 90 90 ASP HA H 90 5.064 5.064 5.499 -0.435 19007 481 1 . 1 1 90 90 ASP C C 90 174.469 174.469 175.806 -1.337 19007 482 1 . 1 1 90 90 ASP CA C 90 53.600 53.600 52.355 1.245 19007 483 1 . 1 1 90 90 ASP CB C 90 44.230 44.230 43.286 0.944 19007 484 1 . 1 1 90 90 ASP H H 90 8.800 8.800 8.441 0.359 19007 485 1 . 1 1 91 91 SER N N 91 116.760 116.760 115.135 1.625 19007 486 1 . 1 1 91 91 SER HA H 91 4.781 4.781 4.662 0.119 19007 487 1 . 1 1 91 91 SER C C 91 173.164 173.164 173.870 -0.706 19007 488 1 . 1 1 91 91 SER CA C 91 57.430 57.430 57.607 -0.177 19007 489 1 . 1 1 91 91 SER CB C 91 65.250 65.250 62.979 2.271 19007 490 1 . 1 1 91 91 SER H H 91 8.500 8.500 8.442 0.058 19007 491 1 . 1 1 92 92 GLU N N 92 123.420 123.420 122.109 1.311 19007 492 1 . 1 1 92 92 GLU HA H 92 4.355 4.355 4.416 -0.061 19007 493 1 . 1 1 92 92 GLU C C 92 176.419 176.419 176.003 0.416 19007 494 1 . 1 1 92 92 GLU CA C 92 56.250 56.250 55.889 0.361 19007 495 1 . 1 1 92 92 GLU CB C 92 30.730 30.730 30.268 0.462 19007 496 1 . 1 1 92 92 GLU H H 92 8.620 8.620 8.159 0.461 19007 497 1 . 1 1 93 93 VAL N N 93 122.090 122.090 121.725 0.365 19007 498 1 . 1 1 93 93 VAL HA H 93 4.105 4.105 4.193 -0.088 19007 499 1 . 1 1 93 93 VAL CA C 93 62.240 62.240 61.835 0.405 19007 500 1 . 1 1 93 93 VAL CB C 93 32.860 32.860 32.805 0.055 19007 501 1 . 1 1 93 93 VAL H H 93 8.220 8.220 8.411 -0.192 19007 502 1 . 1 1 96 96 LYS HA H 96 4.079 4.079 4.514 -0.435 19007 503 1 . 1 1 96 96 LYS C C 96 176.053 176.053 175.439 0.614 19007 504 1 . 1 1 96 96 LYS CA C 96 62.497 62.497 55.669 6.828 19007 505 1 . 1 1 96 96 LYS CB C 96 32.776 32.776 33.236 -0.460 19007 506 1 . 1 1 97 97 LYS N N 97 126.170 126.170 123.003 3.167 19007 507 1 . 1 1 97 97 LYS HA H 97 4.300 4.300 4.464 -0.164 19007 508 1 . 1 1 97 97 LYS C C 97 176.665 176.665 176.107 0.558 19007 509 1 . 1 1 97 97 LYS CA C 97 56.730 56.730 55.987 0.743 19007 510 1 . 1 1 97 97 LYS CB C 97 33.020 33.020 34.009 -0.989 19007 511 1 . 1 1 97 97 LYS H H 97 8.500 8.500 8.334 0.166 19007 512 1 . 1 1 98 98 GLU N N 98 122.020 122.020 124.492 -2.472 19007 513 1 . 1 1 98 98 GLU HA H 98 4.226 4.226 4.369 -0.143 19007 514 1 . 1 1 98 98 GLU C C 98 176.382 176.382 175.913 0.469 19007 515 1 . 1 1 98 98 GLU CA C 98 56.890 56.890 56.079 0.811 19007 516 1 . 1 1 98 98 GLU CB C 98 30.410 30.410 28.815 1.595 19007 517 1 . 1 1 98 98 GLU H H 98 8.470 8.470 8.843 -0.373 19007 518 1 . 1 1 99 99 ALA N N 99 124.770 124.770 127.141 -2.371 19007 519 1 . 1 1 99 99 ALA HA H 99 4.281 4.281 4.436 -0.155 19007 520 1 . 1 1 99 99 ALA C C 99 177.723 177.723 176.747 0.976 19007 521 1 . 1 1 99 99 ALA CA C 99 52.880 52.880 51.701 1.179 19007 522 1 . 1 1 99 99 ALA CB C 99 19.320 19.320 18.705 0.615 19007 523 1 . 1 1 99 99 ALA H H 99 8.310 8.310 8.201 0.109 19007 524 1 . 1 1 100 100 GLN N N 100 119.190 119.190 121.377 -2.187 19007 525 1 . 1 1 100 100 GLN HA H 100 4.266 4.266 4.347 -0.081 19007 526 1 . 1 1 100 100 GLN CA C 100 56.000 56.000 55.394 0.606 19007 527 1 . 1 1 100 100 GLN CB C 100 29.970 29.970 29.912 0.058 19007 528 1 . 1 1 100 100 GLN H H 100 8.280 8.280 8.042 0.238 19007 529 1 . 1 1 101 101 GLN N N 101 120.421 120.421 125.667 -5.246 19007 530 1 . 1 1 101 101 GLN HA H 101 4.650 4.650 4.369 0.281 19007 531 1 . 1 1 101 101 GLN C C 101 175.725 175.725 175.024 0.701 19007 532 1 . 1 1 101 101 GLN CA C 101 56.073 56.073 55.801 0.272 19007 533 1 . 1 1 101 101 GLN CB C 101 29.524 29.524 27.908 1.616 19007 534 1 . 1 1 101 101 GLN H H 101 8.114 8.114 8.637 -0.523 19007 535 1 . 1 1 102 102 ILE N N 102 122.940 122.940 124.450 -1.510 19007 536 1 . 1 1 102 102 ILE HA H 102 4.119 4.119 4.396 -0.277 19007 537 1 . 1 1 102 102 ILE C C 102 175.916 175.916 174.600 1.316 19007 538 1 . 1 1 102 102 ILE CA C 102 61.260 61.260 61.129 0.131 19007 539 1 . 1 1 102 102 ILE CB C 102 38.790 38.790 39.421 -0.631 19007 540 1 . 1 1 102 102 ILE H H 102 8.240 8.240 7.931 0.309 19007 541 1 . 1 1 103 103 ARG N N 103 125.780 125.780 127.447 -1.667 19007 542 1 . 1 1 103 103 ARG HA H 103 4.369 4.369 4.640 -0.271 19007 543 1 . 1 1 103 103 ARG C C 103 175.752 175.752 175.583 0.169 19007 544 1 . 1 1 103 103 ARG CA C 103 55.940 55.940 55.678 0.262 19007 545 1 . 1 1 103 103 ARG CB C 103 31.340 31.340 31.517 -0.177 19007 546 1 . 1 1 103 103 ARG H H 103 8.400 8.400 8.500 -0.100 19007 547 1 . 1 1 104 104 GLU N N 104 123.840 123.840 122.022 1.818 19007 548 1 . 1 1 104 104 GLU HA H 104 4.296 4.296 4.379 -0.083 19007 549 1 . 1 1 104 104 GLU C C 104 175.314 175.314 176.091 -0.777 19007 550 1 . 1 1 104 104 GLU CA C 104 56.430 56.430 56.745 -0.315 19007 551 1 . 1 1 104 104 GLU CB C 104 30.560 30.560 29.964 0.596 19007 552 1 . 1 1 104 104 GLU H H 104 8.510 8.510 8.735 -0.225 19007 stop_ save_