data_18887 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18887 _Entry.PDB_ID 2M1Z 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 18887 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 LYS N N 2 120.950 120.950 122.679 -1.729 18887 2 1 1 . 1 1 2 2 LYS HA H 2 4.330 4.330 4.626 -0.296 18887 3 1 1 . 1 1 2 2 LYS C C 2 176.040 176.040 175.695 0.345 18887 4 1 1 . 1 1 2 2 LYS CA C 2 57.850 57.850 55.619 2.231 18887 5 1 1 . 1 1 2 2 LYS CB C 2 33.480 33.480 32.281 1.199 18887 6 1 1 . 1 1 2 2 LYS H H 2 8.220 8.220 8.076 0.144 18887 7 1 1 . 1 1 3 3 ARG N N 3 120.340 120.340 125.534 -5.194 18887 8 1 1 . 1 1 3 3 ARG HA H 3 4.660 4.660 4.222 0.438 18887 9 1 1 . 1 1 3 3 ARG C C 3 175.960 175.960 176.049 -0.089 18887 10 1 1 . 1 1 3 3 ARG CA C 3 53.810 53.810 55.608 -1.798 18887 11 1 1 . 1 1 3 3 ARG CB C 3 29.710 29.710 31.300 -1.591 18887 12 1 1 . 1 1 3 3 ARG H H 3 8.220 8.220 8.949 -0.729 18887 13 1 1 . 1 1 4 4 LYS N N 4 121.540 121.540 126.010 -4.470 18887 14 1 1 . 1 1 4 4 LYS HA H 4 4.770 4.770 4.853 -0.083 18887 15 1 1 . 1 1 4 4 LYS C C 4 174.820 174.820 175.912 -1.092 18887 16 1 1 . 1 1 4 4 LYS CA C 4 57.230 57.230 55.240 1.990 18887 17 1 1 . 1 1 4 4 LYS CB C 4 33.800 33.800 31.845 1.956 18887 18 1 1 . 1 1 4 4 LYS H H 4 8.880 8.880 8.250 0.630 18887 19 1 1 . 1 1 5 5 ILE N N 5 125.030 125.030 125.894 -0.864 18887 20 1 1 . 1 1 5 5 ILE HA H 5 4.530 4.530 4.789 -0.259 18887 21 1 1 . 1 1 5 5 ILE C C 5 175.420 175.420 174.261 1.159 18887 22 1 1 . 1 1 5 5 ILE CA C 5 61.120 61.120 60.240 0.880 18887 23 1 1 . 1 1 5 5 ILE CB C 5 41.880 41.880 42.129 -0.249 18887 24 1 1 . 1 1 5 5 ILE H H 5 8.760 8.760 9.067 -0.307 18887 25 1 1 . 1 1 6 6 ILE N N 6 119.270 119.270 120.989 -1.719 18887 26 1 1 . 1 1 6 6 ILE HA H 6 5.440 5.440 5.204 0.236 18887 27 1 1 . 1 1 6 6 ILE C C 6 173.880 173.880 173.704 0.176 18887 28 1 1 . 1 1 6 6 ILE CA C 6 60.480 60.480 58.136 2.344 18887 29 1 1 . 1 1 6 6 ILE CB C 6 42.120 42.120 41.074 1.046 18887 30 1 1 . 1 1 6 6 ILE H H 6 8.110 8.110 9.078 -0.968 18887 31 1 1 . 1 1 7 7 ALA N N 7 122.330 122.330 126.621 -4.291 18887 32 1 1 . 1 1 7 7 ALA HA H 7 5.780 5.780 5.082 0.698 18887 33 1 1 . 1 1 7 7 ALA C C 7 173.950 173.950 175.242 -1.292 18887 34 1 1 . 1 1 7 7 ALA CA C 7 51.280 51.280 50.663 0.618 18887 35 1 1 . 1 1 7 7 ALA CB C 7 25.930 25.930 22.616 3.314 18887 36 1 1 . 1 1 7 7 ALA H H 7 8.790 8.790 9.108 -0.318 18887 37 1 1 . 1 1 8 8 VAL N N 8 119.860 119.860 124.381 -4.521 18887 38 1 1 . 1 1 8 8 VAL HA H 8 5.190 5.190 4.657 0.533 18887 39 1 1 . 1 1 8 8 VAL C C 8 175.590 175.590 175.382 0.208 18887 40 1 1 . 1 1 8 8 VAL CA C 8 61.340 61.340 60.130 1.210 18887 41 1 1 . 1 1 8 8 VAL CB C 8 36.650 36.650 33.568 3.082 18887 42 1 1 . 1 1 8 8 VAL H H 8 8.950 8.950 8.650 0.300 18887 43 1 1 . 1 1 9 9 THR N N 9 116.320 116.320 118.207 -1.887 18887 44 1 1 . 1 1 9 9 THR HA H 9 5.500 5.500 5.440 0.060 18887 45 1 1 . 1 1 9 9 THR C C 9 172.920 172.920 172.940 -0.020 18887 46 1 1 . 1 1 9 9 THR CA C 9 59.470 59.470 59.382 0.088 18887 47 1 1 . 1 1 9 9 THR CB C 9 71.510 71.510 70.403 1.107 18887 48 1 1 . 1 1 9 9 THR H H 9 8.860 8.860 9.213 -0.353 18887 49 1 1 . 1 1 10 10 ALA N N 10 121.780 121.780 128.577 -6.797 18887 50 1 1 . 1 1 10 10 ALA HA H 10 4.800 4.800 5.220 -0.420 18887 51 1 1 . 1 1 10 10 ALA C C 10 174.680 174.680 174.965 -0.285 18887 52 1 1 . 1 1 10 10 ALA CA C 10 54.300 54.300 51.636 2.664 18887 53 1 1 . 1 1 10 10 ALA CB C 10 22.940 22.940 22.284 0.656 18887 54 1 1 . 1 1 10 10 ALA H H 10 7.710 7.710 8.235 -0.525 18887 55 1 1 . 1 1 11 11 CYS N N 11 121.780 121.780 119.723 2.057 18887 56 1 1 . 1 1 11 11 CYS HA H 11 5.160 5.160 4.742 0.418 18887 57 1 1 . 1 1 11 11 CYS C C 11 174.700 174.700 173.163 1.537 18887 58 1 1 . 1 1 11 11 CYS CA C 11 57.150 57.150 57.688 -0.538 18887 59 1 1 . 1 1 11 11 CYS CB C 11 30.830 30.830 32.263 -1.433 18887 60 1 1 . 1 1 11 11 CYS H H 11 8.140 8.140 8.277 -0.137 18887 61 1 1 . 1 1 12 12 ALA N N 12 113.900 113.900 127.574 -13.674 18887 62 1 1 . 1 1 12 12 ALA HA H 12 4.220 4.220 4.387 -0.167 18887 63 1 1 . 1 1 12 12 ALA C C 12 168.950 168.950 177.339 -8.389 18887 64 1 1 . 1 1 12 12 ALA CA C 12 55.270 55.270 53.325 1.946 18887 65 1 1 . 1 1 12 12 ALA CB C 12 20.320 20.320 19.399 0.921 18887 66 1 1 . 1 1 12 12 ALA H H 12 10.630 10.630 8.574 2.056 18887 67 1 1 . 1 1 13 13 THR N N 13 109.490 109.490 111.070 -1.580 18887 68 1 1 . 1 1 13 13 THR HA H 13 4.390 4.390 4.414 -0.024 18887 69 1 1 . 1 1 13 13 THR C C 13 174.870 174.870 174.980 -0.110 18887 70 1 1 . 1 1 13 13 THR CA C 13 62.910 62.910 61.307 1.603 18887 71 1 1 . 1 1 13 13 THR CB C 13 70.640 70.640 68.263 2.377 18887 72 1 1 . 1 1 13 13 THR H H 13 8.180 8.180 8.009 0.171 18887 73 1 1 . 1 1 14 14 GLY N N 14 111.450 111.450 115.505 -4.055 18887 74 1 1 . 1 1 14 14 GLY C C 14 173.680 173.680 175.233 -1.553 18887 75 1 1 . 1 1 14 14 GLY CA C 14 47.050 47.050 44.910 2.140 18887 76 1 1 . 1 1 14 14 GLY H H 14 7.880 7.880 8.391 -0.511 18887 77 1 1 . 1 1 15 15 VAL N N 15 119.530 119.530 116.749 2.781 18887 78 1 1 . 1 1 15 15 VAL HA H 15 4.110 4.110 4.005 0.105 18887 79 1 1 . 1 1 15 15 VAL C C 15 176.860 176.860 177.053 -0.193 18887 80 1 1 . 1 1 15 15 VAL CA C 15 64.740 64.740 64.553 0.187 18887 81 1 1 . 1 1 15 15 VAL CB C 15 33.690 33.690 31.146 2.543 18887 82 1 1 . 1 1 15 15 VAL H H 15 8.250 8.250 8.286 -0.036 18887 83 1 1 . 1 1 16 16 ALA N N 16 123.230 123.230 124.409 -1.179 18887 84 1 1 . 1 1 16 16 ALA HA H 16 4.230 4.230 4.041 0.189 18887 85 1 1 . 1 1 16 16 ALA C C 16 170.610 170.610 179.551 -8.941 18887 86 1 1 . 1 1 16 16 ALA CA C 16 56.280 56.280 54.721 1.559 18887 87 1 1 . 1 1 16 16 ALA CB C 16 19.320 19.320 18.155 1.165 18887 88 1 1 . 1 1 16 16 ALA H H 16 8.430 8.430 8.157 0.273 18887 89 1 1 . 1 1 17 17 HIS HA H 17 4.380 4.380 4.216 0.164 18887 90 1 1 . 1 1 17 17 HIS C C 17 177.260 177.260 177.900 -0.640 18887 91 1 1 . 1 1 17 17 HIS CA C 17 60.060 60.060 60.220 -0.160 18887 92 1 1 . 1 1 17 17 HIS CB C 17 31.990 31.990 29.706 2.284 18887 93 1 1 . 1 1 18 18 THR N N 18 115.830 115.830 117.216 -1.386 18887 94 1 1 . 1 1 18 18 THR HA H 18 3.540 3.540 3.934 -0.394 18887 95 1 1 . 1 1 18 18 THR C C 18 176.690 176.690 176.481 0.209 18887 96 1 1 . 1 1 18 18 THR CA C 18 67.700 67.700 67.127 0.573 18887 97 1 1 . 1 1 18 18 THR CB C 18 69.550 69.550 68.575 0.975 18887 98 1 1 . 1 1 18 18 THR H H 18 7.590 7.590 7.852 -0.262 18887 99 1 1 . 1 1 19 19 TYR N N 19 121.050 121.050 120.531 0.519 18887 100 1 1 . 1 1 19 19 TYR HA H 19 4.340 4.340 4.275 0.065 18887 101 1 1 . 1 1 19 19 TYR C C 19 178.420 178.420 178.154 0.266 18887 102 1 1 . 1 1 19 19 TYR CA C 19 61.220 61.220 61.744 -0.524 18887 103 1 1 . 1 1 19 19 TYR CB C 19 38.400 38.400 37.812 0.589 18887 104 1 1 . 1 1 19 19 TYR H H 19 7.710 7.710 8.425 -0.715 18887 105 1 1 . 1 1 20 20 MET N N 20 120.220 120.220 119.319 0.901 18887 106 1 1 . 1 1 20 20 MET HA H 20 4.160 4.160 4.066 0.094 18887 107 1 1 . 1 1 20 20 MET C C 20 169.550 169.550 178.108 -8.558 18887 108 1 1 . 1 1 20 20 MET CA C 20 60.050 60.050 57.129 2.921 18887 109 1 1 . 1 1 20 20 MET CB C 20 34.410 34.410 32.054 2.356 18887 110 1 1 . 1 1 20 20 MET H H 20 8.470 8.470 8.048 0.422 18887 111 1 1 . 1 1 21 21 ALA N N 21 122.280 122.280 121.497 0.783 18887 112 1 1 . 1 1 21 21 ALA HA H 21 3.870 3.870 3.939 -0.069 18887 113 1 1 . 1 1 21 21 ALA C C 21 178.630 178.630 178.942 -0.312 18887 114 1 1 . 1 1 21 21 ALA CA C 21 56.760 56.760 55.332 1.428 18887 115 1 1 . 1 1 21 21 ALA CB C 21 19.690 19.690 18.090 1.600 18887 116 1 1 . 1 1 21 21 ALA H H 21 8.490 8.490 8.577 -0.087 18887 117 1 1 . 1 1 22 22 ALA N N 22 120.240 120.240 119.928 0.312 18887 118 1 1 . 1 1 22 22 ALA HA H 22 3.900 3.900 3.998 -0.098 18887 119 1 1 . 1 1 22 22 ALA C C 22 169.200 169.200 180.316 -11.116 18887 120 1 1 . 1 1 22 22 ALA CA C 22 56.880 56.880 54.922 1.958 18887 121 1 1 . 1 1 22 22 ALA CB C 22 19.560 19.560 18.221 1.339 18887 122 1 1 . 1 1 22 22 ALA H H 22 7.660 7.660 8.051 -0.391 18887 123 1 1 . 1 1 23 23 GLN N N 23 116.680 116.680 118.386 -1.706 18887 124 1 1 . 1 1 23 23 GLN HA H 23 3.940 3.940 4.144 -0.204 18887 125 1 1 . 1 1 23 23 GLN C C 23 178.500 178.500 178.522 -0.022 18887 126 1 1 . 1 1 23 23 GLN CA C 23 59.550 59.550 57.984 1.566 18887 127 1 1 . 1 1 23 23 GLN CB C 23 29.660 29.660 28.398 1.262 18887 128 1 1 . 1 1 23 23 GLN H H 23 8.430 8.430 8.030 0.400 18887 129 1 1 . 1 1 24 24 ALA N N 24 121.760 121.760 123.066 -1.306 18887 130 1 1 . 1 1 24 24 ALA HA H 24 4.140 4.140 4.050 0.090 18887 131 1 1 . 1 1 24 24 ALA C C 24 171.490 171.490 179.466 -7.976 18887 132 1 1 . 1 1 24 24 ALA CA C 24 56.060 56.060 55.277 0.783 18887 133 1 1 . 1 1 24 24 ALA CB C 24 19.760 19.760 18.493 1.267 18887 134 1 1 . 1 1 24 24 ALA H H 24 8.130 8.130 8.531 -0.401 18887 135 1 1 . 1 1 25 25 LEU N N 25 118.730 118.730 119.806 -1.076 18887 136 1 1 . 1 1 25 25 LEU HA H 25 3.850 3.850 3.993 -0.143 18887 137 1 1 . 1 1 25 25 LEU C C 25 177.990 177.990 178.440 -0.450 18887 138 1 1 . 1 1 25 25 LEU CA C 25 59.280 59.280 58.276 1.004 18887 139 1 1 . 1 1 25 25 LEU CB C 25 43.190 43.190 41.620 1.570 18887 140 1 1 . 1 1 25 25 LEU H H 25 8.030 8.030 8.622 -0.592 18887 141 1 1 . 1 1 26 26 LYS N N 26 118.850 118.850 119.006 -0.156 18887 142 1 1 . 1 1 26 26 LYS HA H 26 3.840 3.840 3.897 -0.057 18887 143 1 1 . 1 1 26 26 LYS C C 26 169.460 169.460 178.811 -9.351 18887 144 1 1 . 1 1 26 26 LYS CA C 26 61.420 61.420 59.820 1.600 18887 145 1 1 . 1 1 26 26 LYS CB C 26 33.440 33.440 32.227 1.212 18887 146 1 1 . 1 1 26 26 LYS H H 26 8.000 8.000 7.521 0.479 18887 147 1 1 . 1 1 27 27 LYS N N 27 120.350 120.350 118.784 1.566 18887 148 1 1 . 1 1 27 27 LYS HA H 27 3.990 3.990 3.981 0.009 18887 149 1 1 . 1 1 27 27 LYS C C 27 169.670 169.670 179.147 -9.477 18887 150 1 1 . 1 1 27 27 LYS CA C 27 60.700 60.700 59.522 1.178 18887 151 1 1 . 1 1 27 27 LYS CB C 27 33.620 33.620 32.320 1.300 18887 152 1 1 . 1 1 27 27 LYS H H 27 8.350 8.350 8.268 0.082 18887 153 1 1 . 1 1 28 28 GLY N N 28 125.170 125.170 106.577 18.593 18887 154 1 1 . 1 1 28 28 GLY C C 28 174.520 174.520 175.776 -1.256 18887 155 1 1 . 1 1 28 28 GLY CA C 28 47.870 47.870 46.990 0.880 18887 156 1 1 . 1 1 28 28 GLY H H 28 8.410 8.410 8.386 0.024 18887 157 1 1 . 1 1 29 29 ALA N N 29 122.370 122.370 124.567 -2.197 18887 158 1 1 . 1 1 29 29 ALA HA H 29 3.820 3.820 4.082 -0.262 18887 159 1 1 . 1 1 29 29 ALA C C 29 169.050 169.050 179.316 -10.266 18887 160 1 1 . 1 1 29 29 ALA CA C 29 56.840 56.840 54.971 1.869 18887 161 1 1 . 1 1 29 29 ALA CB C 29 18.800 18.800 18.386 0.414 18887 162 1 1 . 1 1 29 29 ALA H H 29 8.280 8.280 8.163 0.117 18887 163 1 1 . 1 1 30 30 LYS N N 30 117.490 117.490 118.965 -1.475 18887 164 1 1 . 1 1 30 30 LYS HA H 30 4.130 4.130 4.121 0.009 18887 165 1 1 . 1 1 30 30 LYS C C 30 170.330 170.330 178.688 -8.358 18887 166 1 1 . 1 1 30 30 LYS CA C 30 60.420 60.420 58.304 2.116 18887 167 1 1 . 1 1 30 30 LYS CB C 30 33.230 33.230 32.302 0.928 18887 168 1 1 . 1 1 30 30 LYS H H 30 7.720 7.720 8.074 -0.354 18887 169 1 1 . 1 1 31 31 LYS N N 31 121.050 121.050 119.585 1.465 18887 170 1 1 . 1 1 31 31 LYS HA H 31 4.020 4.020 4.097 -0.077 18887 171 1 1 . 1 1 31 31 LYS C C 31 178.160 178.160 178.911 -0.751 18887 172 1 1 . 1 1 31 31 LYS CA C 31 60.360 60.360 58.635 1.725 18887 173 1 1 . 1 1 31 31 LYS CB C 31 33.380 33.380 32.121 1.259 18887 174 1 1 . 1 1 31 31 LYS H H 31 7.930 7.930 7.892 0.038 18887 175 1 1 . 1 1 32 32 MET N N 32 114.620 114.620 115.695 -1.075 18887 176 1 1 . 1 1 32 32 MET HA H 32 4.240 4.240 4.420 -0.180 18887 177 1 1 . 1 1 32 32 MET C C 32 175.810 175.810 177.156 -1.346 18887 178 1 1 . 1 1 32 32 MET CA C 32 57.400 57.400 55.377 2.023 18887 179 1 1 . 1 1 32 32 MET CB C 32 37.710 37.710 32.904 4.806 18887 180 1 1 . 1 1 32 32 MET H H 32 7.420 7.420 8.021 -0.601 18887 181 1 1 . 1 1 33 33 GLY N N 33 124.900 124.900 109.025 15.875 18887 182 1 1 . 1 1 33 33 GLY C C 33 174.340 174.340 173.270 1.070 18887 183 1 1 . 1 1 33 33 GLY CA C 33 46.830 46.830 45.000 1.830 18887 184 1 1 . 1 1 33 33 GLY H H 33 7.860 7.860 7.846 0.014 18887 185 1 1 . 1 1 34 34 ASN N N 34 116.070 116.070 117.997 -1.927 18887 186 1 1 . 1 1 34 34 ASN HA H 34 5.210 5.210 5.520 -0.310 18887 187 1 1 . 1 1 34 34 ASN C C 34 173.080 173.080 173.749 -0.669 18887 188 1 1 . 1 1 34 34 ASN CA C 34 52.770 52.770 52.103 0.667 18887 189 1 1 . 1 1 34 34 ASN CB C 34 42.880 42.880 42.510 0.370 18887 190 1 1 . 1 1 34 34 ASN H H 34 8.160 8.160 8.088 0.072 18887 191 1 1 . 1 1 35 35 LEU N N 35 121.450 121.450 121.364 0.086 18887 192 1 1 . 1 1 35 35 LEU HA H 35 4.620 4.620 4.766 -0.146 18887 193 1 1 . 1 1 35 35 LEU C C 35 174.930 174.930 175.085 -0.155 18887 194 1 1 . 1 1 35 35 LEU CA C 35 55.150 55.150 53.843 1.307 18887 195 1 1 . 1 1 35 35 LEU CB C 35 44.760 44.760 43.804 0.956 18887 196 1 1 . 1 1 35 35 LEU H H 35 8.770 8.770 8.452 0.318 18887 197 1 1 . 1 1 36 36 ILE N N 36 119.690 119.690 124.043 -4.353 18887 198 1 1 . 1 1 36 36 ILE HA H 36 5.660 5.660 5.360 0.300 18887 199 1 1 . 1 1 36 36 ILE C C 36 172.620 172.620 175.001 -2.381 18887 200 1 1 . 1 1 36 36 ILE CA C 36 59.410 59.410 58.703 0.708 18887 201 1 1 . 1 1 36 36 ILE CB C 36 44.340 44.340 41.489 2.851 18887 202 1 1 . 1 1 36 36 ILE H H 36 8.390 8.390 8.587 -0.197 18887 203 1 1 . 1 1 37 37 LYS N N 37 126.230 126.230 129.053 -2.823 18887 204 1 1 . 1 1 37 37 LYS HA H 37 4.590 4.590 4.673 -0.083 18887 205 1 1 . 1 1 37 37 LYS C C 37 174.340 174.340 174.666 -0.326 18887 206 1 1 . 1 1 37 37 LYS CA C 37 57.050 57.050 54.159 2.891 18887 207 1 1 . 1 1 37 37 LYS CB C 37 36.860 36.860 33.059 3.801 18887 208 1 1 . 1 1 37 37 LYS H H 37 7.210 7.210 8.740 -1.530 18887 209 1 1 . 1 1 38 38 VAL N N 38 124.270 124.270 126.030 -1.760 18887 210 1 1 . 1 1 38 38 VAL HA H 38 4.920 4.920 4.820 0.100 18887 211 1 1 . 1 1 38 38 VAL C C 38 174.660 174.660 175.825 -1.165 18887 212 1 1 . 1 1 38 38 VAL CA C 38 61.420 61.420 61.455 -0.035 18887 213 1 1 . 1 1 38 38 VAL CB C 38 35.020 35.020 32.220 2.800 18887 214 1 1 . 1 1 38 38 VAL H H 38 8.760 8.760 8.684 0.076 18887 215 1 1 . 1 1 39 39 GLU N N 39 114.800 114.800 129.043 -14.243 18887 216 1 1 . 1 1 39 39 GLU HA H 39 5.020 5.020 4.681 0.339 18887 217 1 1 . 1 1 39 39 GLU C C 39 175.680 175.680 175.310 0.370 18887 218 1 1 . 1 1 39 39 GLU CA C 39 55.680 55.680 55.126 0.554 18887 219 1 1 . 1 1 39 39 GLU CB C 39 33.940 33.940 32.428 1.512 18887 220 1 1 . 1 1 39 39 GLU H H 39 9.210 9.210 9.100 0.110 18887 221 1 1 . 1 1 40 40 THR N N 40 115.120 115.120 122.275 -7.155 18887 222 1 1 . 1 1 40 40 THR HA H 40 5.180 5.180 4.939 0.241 18887 223 1 1 . 1 1 40 40 THR C C 40 174.200 174.200 173.412 0.788 18887 224 1 1 . 1 1 40 40 THR CA C 40 59.710 59.710 62.224 -2.514 18887 225 1 1 . 1 1 40 40 THR CB C 40 71.270 71.270 69.825 1.445 18887 226 1 1 . 1 1 40 40 THR H H 40 8.500 8.500 8.446 0.054 18887 227 1 1 . 1 1 41 41 GLN N N 41 119.850 119.850 127.794 -7.944 18887 228 1 1 . 1 1 41 41 GLN HA H 41 4.990 4.990 4.848 0.142 18887 229 1 1 . 1 1 41 41 GLN C C 41 175.110 175.110 176.833 -1.723 18887 230 1 1 . 1 1 41 41 GLN CA C 41 54.980 54.980 54.717 0.263 18887 231 1 1 . 1 1 41 41 GLN CB C 41 29.780 29.780 30.932 -1.152 18887 232 1 1 . 1 1 41 41 GLN H H 41 8.470 8.470 9.176 -0.706 18887 233 1 1 . 1 1 42 42 GLY N N 42 109.530 109.530 112.683 -3.153 18887 234 1 1 . 1 1 42 42 GLY C C 42 174.750 174.750 173.818 0.932 18887 235 1 1 . 1 1 42 42 GLY CA C 42 45.630 45.630 44.993 0.637 18887 236 1 1 . 1 1 42 42 GLY H H 42 7.890 7.890 9.204 -1.314 18887 237 1 1 . 1 1 43 43 ALA N N 43 123.850 123.850 127.380 -3.530 18887 238 1 1 . 1 1 43 43 ALA HA H 43 4.170 4.170 3.911 0.259 18887 239 1 1 . 1 1 43 43 ALA C C 43 169.490 169.490 176.751 -7.261 18887 240 1 1 . 1 1 43 43 ALA CA C 43 56.170 56.170 54.660 1.510 18887 241 1 1 . 1 1 43 43 ALA CB C 43 19.910 19.910 17.216 2.693 18887 242 1 1 . 1 1 43 43 ALA H H 43 8.730 8.730 8.153 0.577 18887 243 1 1 . 1 1 44 44 THR N N 44 122.380 122.380 116.014 6.366 18887 244 1 1 . 1 1 44 44 THR HA H 44 4.390 4.390 4.422 -0.032 18887 245 1 1 . 1 1 44 44 THR C C 44 174.260 174.260 174.723 -0.463 18887 246 1 1 . 1 1 44 44 THR CA C 44 62.190 62.190 62.480 -0.290 18887 247 1 1 . 1 1 44 44 THR CB C 44 70.080 70.080 70.845 -0.765 18887 248 1 1 . 1 1 44 44 THR H H 44 7.950 7.950 7.904 0.046 18887 249 1 1 . 1 1 45 45 GLY N N 45 109.360 109.360 112.003 -2.643 18887 250 1 1 . 1 1 45 45 GLY C C 45 172.380 172.380 172.881 -0.501 18887 251 1 1 . 1 1 45 45 GLY CA C 45 45.510 45.510 44.789 0.721 18887 252 1 1 . 1 1 45 45 GLY H H 45 7.560 7.560 7.629 -0.069 18887 253 1 1 . 1 1 46 46 ILE N N 46 122.050 122.050 127.258 -5.208 18887 254 1 1 . 1 1 46 46 ILE HA H 46 4.780 4.780 4.251 0.529 18887 255 1 1 . 1 1 46 46 ILE C C 46 176.010 176.010 176.270 -0.260 18887 256 1 1 . 1 1 46 46 ILE CA C 46 61.950 61.950 61.774 0.176 18887 257 1 1 . 1 1 46 46 ILE CB C 46 40.810 40.810 37.932 2.878 18887 258 1 1 . 1 1 46 46 ILE H H 46 8.480 8.480 8.336 0.144 18887 259 1 1 . 1 1 47 47 GLU N N 47 109.160 109.160 127.279 -18.119 18887 260 1 1 . 1 1 47 47 GLU HA H 47 4.660 4.660 4.349 0.311 18887 261 1 1 . 1 1 47 47 GLU C C 47 174.750 174.750 176.369 -1.619 18887 262 1 1 . 1 1 47 47 GLU CA C 47 55.940 55.940 56.813 -0.873 18887 263 1 1 . 1 1 47 47 GLU CB C 47 33.640 33.640 30.684 2.956 18887 264 1 1 . 1 1 47 47 GLU H H 47 9.000 9.000 9.117 -0.117 18887 265 1 1 . 1 1 48 48 ASN N N 48 120.510 120.510 118.539 1.971 18887 266 1 1 . 1 1 48 48 ASN HA H 48 4.230 4.230 4.881 -0.651 18887 267 1 1 . 1 1 48 48 ASN C C 48 173.090 173.090 173.216 -0.126 18887 268 1 1 . 1 1 48 48 ASN CA C 48 54.770 54.770 52.817 1.953 18887 269 1 1 . 1 1 48 48 ASN CB C 48 38.800 38.800 39.562 -0.762 18887 270 1 1 . 1 1 48 48 ASN H H 48 8.930 8.930 7.706 1.224 18887 271 1 1 . 1 1 49 49 GLU N N 49 114.160 114.160 124.468 -10.308 18887 272 1 1 . 1 1 49 49 GLU HA H 49 3.890 3.890 4.455 -0.565 18887 273 1 1 . 1 1 49 49 GLU C C 49 177.780 177.780 176.019 1.761 18887 274 1 1 . 1 1 49 49 GLU CA C 49 57.870 57.870 56.368 1.502 18887 275 1 1 . 1 1 49 49 GLU CB C 49 31.900 31.900 29.848 2.052 18887 276 1 1 . 1 1 49 49 GLU H H 49 7.690 7.690 8.419 -0.729 18887 277 1 1 . 1 1 50 50 LEU N N 50 109.440 109.440 130.025 -20.585 18887 278 1 1 . 1 1 50 50 LEU HA H 50 4.680 4.680 4.465 0.215 18887 279 1 1 . 1 1 50 50 LEU C C 50 177.490 177.490 177.351 0.139 18887 280 1 1 . 1 1 50 50 LEU CA C 50 55.520 55.520 54.554 0.966 18887 281 1 1 . 1 1 50 50 LEU CB C 50 43.440 43.440 41.519 1.921 18887 282 1 1 . 1 1 50 50 LEU H H 50 9.560 9.560 9.755 -0.195 18887 283 1 1 . 1 1 51 51 THR N N 51 117.490 117.490 117.437 0.053 18887 284 1 1 . 1 1 51 51 THR HA H 51 4.420 4.420 4.307 0.113 18887 285 1 1 . 1 1 51 51 THR C C 51 175.010 175.010 175.479 -0.469 18887 286 1 1 . 1 1 51 51 THR CA C 51 61.230 61.230 60.745 0.485 18887 287 1 1 . 1 1 51 51 THR CB C 51 72.860 72.860 70.014 2.846 18887 288 1 1 . 1 1 51 51 THR H H 51 9.380 9.380 9.081 0.299 18887 289 1 1 . 1 1 52 52 GLU N N 52 120.490 120.490 121.181 -0.691 18887 290 1 1 . 1 1 52 52 GLU HA H 52 3.860 3.860 3.864 -0.004 18887 291 1 1 . 1 1 52 52 GLU C C 52 178.660 178.660 178.815 -0.155 18887 292 1 1 . 1 1 52 52 GLU CA C 52 61.130 61.130 60.589 0.541 18887 293 1 1 . 1 1 52 52 GLU CB C 52 30.280 30.280 28.942 1.338 18887 294 1 1 . 1 1 52 52 GLU H H 52 8.910 8.910 8.815 0.095 18887 295 1 1 . 1 1 53 53 LYS N N 53 118.660 118.660 118.742 -0.082 18887 296 1 1 . 1 1 53 53 LYS HA H 53 4.020 4.020 3.930 0.090 18887 297 1 1 . 1 1 53 53 LYS C C 53 178.190 178.190 178.402 -0.212 18887 298 1 1 . 1 1 53 53 LYS CA C 53 60.390 60.390 59.451 0.939 18887 299 1 1 . 1 1 53 53 LYS CB C 53 33.210 33.210 32.098 1.112 18887 300 1 1 . 1 1 53 53 LYS H H 53 7.890 7.890 8.287 -0.397 18887 301 1 1 . 1 1 54 54 ASP N N 54 118.400 118.400 119.416 -1.016 18887 302 1 1 . 1 1 54 54 ASP HA H 54 4.200 4.200 4.391 -0.191 18887 303 1 1 . 1 1 54 54 ASP C C 54 169.070 169.070 178.751 -9.681 18887 304 1 1 . 1 1 54 54 ASP CA C 54 58.300 58.300 57.327 0.973 18887 305 1 1 . 1 1 54 54 ASP CB C 54 43.110 43.110 40.741 2.369 18887 306 1 1 . 1 1 54 54 ASP H H 54 7.440 7.440 7.621 -0.181 18887 307 1 1 . 1 1 55 55 VAL N N 55 118.420 118.420 119.213 -0.793 18887 308 1 1 . 1 1 55 55 VAL HA H 55 3.520 3.520 3.677 -0.157 18887 309 1 1 . 1 1 55 55 VAL C C 55 176.980 176.980 176.661 0.319 18887 310 1 1 . 1 1 55 55 VAL CA C 55 66.950 66.950 65.580 1.370 18887 311 1 1 . 1 1 55 55 VAL CB C 55 32.360 32.360 31.086 1.274 18887 312 1 1 . 1 1 55 55 VAL H H 55 8.150 8.150 8.193 -0.043 18887 313 1 1 . 1 1 56 56 ASN N N 56 117.100 117.100 115.343 1.757 18887 314 1 1 . 1 1 56 56 ASN HA H 56 4.410 4.410 4.547 -0.137 18887 315 1 1 . 1 1 56 56 ASN C C 56 177.330 177.330 177.032 0.298 18887 316 1 1 . 1 1 56 56 ASN CA C 56 57.170 57.170 55.166 2.005 18887 317 1 1 . 1 1 56 56 ASN CB C 56 39.930 39.930 39.215 0.715 18887 318 1 1 . 1 1 56 56 ASN H H 56 8.000 8.000 7.881 0.119 18887 319 1 1 . 1 1 57 57 ILE N N 57 115.580 115.580 119.103 -3.523 18887 320 1 1 . 1 1 57 57 ILE HA H 57 3.950 3.950 3.953 -0.003 18887 321 1 1 . 1 1 57 57 ILE C C 57 176.980 176.980 176.854 0.126 18887 322 1 1 . 1 1 57 57 ILE CA C 57 63.240 63.240 63.676 -0.436 18887 323 1 1 . 1 1 57 57 ILE CB C 57 39.890 39.890 38.514 1.376 18887 324 1 1 . 1 1 57 57 ILE H H 57 7.600 7.600 7.446 0.154 18887 325 1 1 . 1 1 58 58 GLY N N 58 124.080 124.080 105.606 18.474 18887 326 1 1 . 1 1 58 58 GLY C C 58 173.190 173.190 174.467 -1.277 18887 327 1 1 . 1 1 58 58 GLY CA C 58 47.110 47.110 44.718 2.392 18887 328 1 1 . 1 1 58 58 GLY H H 58 7.630 7.630 7.724 -0.094 18887 329 1 1 . 1 1 59 59 GLU N N 59 123.240 123.240 125.367 -2.127 18887 330 1 1 . 1 1 59 59 GLU HA H 59 4.240 4.240 4.307 -0.067 18887 331 1 1 . 1 1 59 59 GLU C C 59 176.750 176.750 176.623 0.127 18887 332 1 1 . 1 1 59 59 GLU CA C 59 59.830 59.830 57.491 2.339 18887 333 1 1 . 1 1 59 59 GLU CB C 59 33.100 33.100 30.485 2.615 18887 334 1 1 . 1 1 59 59 GLU H H 59 9.350 9.350 8.924 0.426 18887 335 1 1 . 1 1 60 60 VAL N N 60 114.370 114.370 120.360 -5.990 18887 336 1 1 . 1 1 60 60 VAL HA H 60 4.410 4.410 4.678 -0.268 18887 337 1 1 . 1 1 60 60 VAL C C 60 170.270 170.270 174.955 -4.685 18887 338 1 1 . 1 1 60 60 VAL CA C 60 60.710 60.710 61.283 -0.573 18887 339 1 1 . 1 1 60 60 VAL CB C 60 35.150 35.150 32.725 2.425 18887 340 1 1 . 1 1 60 60 VAL H H 60 7.640 7.640 7.283 0.357 18887 341 1 1 . 1 1 61 61 VAL N N 61 125.780 125.780 128.056 -2.276 18887 342 1 1 . 1 1 61 61 VAL HA H 61 4.970 4.970 4.822 0.148 18887 343 1 1 . 1 1 61 61 VAL C C 61 174.450 174.450 175.437 -0.987 18887 344 1 1 . 1 1 61 61 VAL CA C 61 60.260 60.260 61.119 -0.859 18887 345 1 1 . 1 1 61 61 VAL CB C 61 34.710 34.710 32.264 2.446 18887 346 1 1 . 1 1 61 61 VAL H H 61 8.290 8.290 9.097 -0.807 18887 347 1 1 . 1 1 62 62 ILE N N 62 124.740 124.740 127.854 -3.114 18887 348 1 1 . 1 1 62 62 ILE HA H 62 4.820 4.820 4.444 0.376 18887 349 1 1 . 1 1 62 62 ILE C C 62 175.020 175.020 174.483 0.537 18887 350 1 1 . 1 1 62 62 ILE CA C 62 60.490 60.490 60.738 -0.248 18887 351 1 1 . 1 1 62 62 ILE CB C 62 42.560 42.560 38.965 3.595 18887 352 1 1 . 1 1 62 62 ILE H H 62 8.580 8.580 8.878 -0.298 18887 353 1 1 . 1 1 63 63 PHE N N 63 109.510 109.510 127.318 -17.808 18887 354 1 1 . 1 1 63 63 PHE HA H 63 5.490 5.490 4.944 0.546 18887 355 1 1 . 1 1 63 63 PHE C C 63 173.600 173.600 174.138 -0.538 18887 356 1 1 . 1 1 63 63 PHE CA C 63 53.020 53.020 56.046 -3.026 18887 357 1 1 . 1 1 63 63 PHE CB C 63 40.150 40.150 40.674 -0.524 18887 358 1 1 . 1 1 63 63 PHE H H 63 9.320 9.320 9.084 0.236 18887 359 1 1 . 1 1 64 64 ALA N N 64 112.790 112.790 128.788 -15.998 18887 360 1 1 . 1 1 64 64 ALA HA H 64 5.430 5.430 5.714 -0.284 18887 361 1 1 . 1 1 64 64 ALA C C 64 175.040 175.040 175.669 -0.629 18887 362 1 1 . 1 1 64 64 ALA CA C 64 50.740 50.740 49.977 0.763 18887 363 1 1 . 1 1 64 64 ALA CB C 64 19.690 19.690 19.971 -0.281 18887 364 1 1 . 1 1 64 64 ALA H H 64 8.840 8.840 8.894 -0.054 18887 365 1 1 . 1 1 65 65 VAL N N 65 110.260 110.260 117.462 -7.202 18887 366 1 1 . 1 1 65 65 VAL HA H 65 5.690 5.690 5.100 0.590 18887 367 1 1 . 1 1 65 65 VAL C C 65 175.380 175.380 174.259 1.121 18887 368 1 1 . 1 1 65 65 VAL CA C 65 59.060 59.060 59.922 -0.862 18887 369 1 1 . 1 1 65 65 VAL CB C 65 38.800 38.800 35.275 3.525 18887 370 1 1 . 1 1 65 65 VAL H H 65 8.080 8.080 7.596 0.484 18887 371 1 1 . 1 1 66 66 ASP N N 66 119.250 119.250 122.010 -2.760 18887 372 1 1 . 1 1 66 66 ASP HA H 66 4.870 4.870 4.911 -0.041 18887 373 1 1 . 1 1 66 66 ASP C C 66 175.600 175.600 175.963 -0.363 18887 374 1 1 . 1 1 66 66 ASP CA C 66 53.780 53.780 55.849 -2.069 18887 375 1 1 . 1 1 66 66 ASP CB C 66 42.910 42.910 42.706 0.203 18887 376 1 1 . 1 1 66 66 ASP H H 66 7.760 7.760 9.029 -1.269 18887 377 1 1 . 1 1 67 67 THR N N 67 112.330 112.330 114.416 -2.086 18887 378 1 1 . 1 1 67 67 THR HA H 67 4.510 4.510 4.522 -0.012 18887 379 1 1 . 1 1 67 67 THR C C 67 172.370 172.370 173.048 -0.678 18887 380 1 1 . 1 1 67 67 THR CA C 67 59.650 59.650 60.828 -1.177 18887 381 1 1 . 1 1 67 67 THR CB C 67 70.230 70.230 70.879 -0.649 18887 382 1 1 . 1 1 67 67 THR H H 67 7.070 7.070 7.464 -0.394 18887 383 1 1 . 1 1 68 68 LYS N N 68 121.380 121.380 121.004 0.376 18887 384 1 1 . 1 1 68 68 LYS HA H 68 4.080 4.080 4.365 -0.285 18887 385 1 1 . 1 1 68 68 LYS C C 68 176.250 176.250 175.241 1.009 18887 386 1 1 . 1 1 68 68 LYS CA C 68 57.470 57.470 55.693 1.777 18887 387 1 1 . 1 1 68 68 LYS CB C 68 34.020 34.020 33.509 0.511 18887 388 1 1 . 1 1 68 68 LYS H H 68 7.540 7.540 8.298 -0.758 18887 389 1 1 . 1 1 69 69 VAL N N 69 125.310 125.310 119.741 5.569 18887 390 1 1 . 1 1 69 69 VAL HA H 69 3.320 3.320 4.332 -1.012 18887 391 1 1 . 1 1 69 69 VAL C C 69 175.890 175.890 175.519 0.371 18887 392 1 1 . 1 1 69 69 VAL CA C 69 64.110 64.110 60.743 3.367 18887 393 1 1 . 1 1 69 69 VAL CB C 69 33.810 33.810 34.180 -0.370 18887 394 1 1 . 1 1 69 69 VAL H H 69 8.320 8.320 8.196 0.124 18887 395 1 1 . 1 1 70 70 ARG N N 70 111.240 111.240 125.644 -14.404 18887 396 1 1 . 1 1 70 70 ARG HA H 70 4.160 4.160 4.407 -0.247 18887 397 1 1 . 1 1 70 70 ARG C C 70 177.030 177.030 177.973 -0.943 18887 398 1 1 . 1 1 70 70 ARG CA C 70 57.630 57.630 58.667 -1.037 18887 399 1 1 . 1 1 70 70 ARG CB C 70 31.440 31.440 30.805 0.635 18887 400 1 1 . 1 1 70 70 ARG H H 70 9.580 9.580 9.568 0.012 18887 401 1 1 . 1 1 71 71 ASN N N 71 120.660 120.660 118.442 2.218 18887 402 1 1 . 1 1 71 71 ASN HA H 71 4.670 4.670 4.695 -0.025 18887 403 1 1 . 1 1 71 71 ASN C C 71 177.530 177.530 176.654 0.876 18887 404 1 1 . 1 1 71 71 ASN CA C 71 54.770 54.770 54.332 0.438 18887 405 1 1 . 1 1 71 71 ASN CB C 71 37.130 37.130 38.416 -1.286 18887 406 1 1 . 1 1 71 71 ASN H H 71 9.170 9.170 8.025 1.145 18887 407 1 1 . 1 1 72 72 LYS N N 72 120.730 120.730 120.769 -0.039 18887 408 1 1 . 1 1 72 72 LYS HA H 72 4.010 4.010 4.489 -0.479 18887 409 1 1 . 1 1 72 72 LYS C C 72 177.790 177.790 178.134 -0.344 18887 410 1 1 . 1 1 72 72 LYS CA C 72 59.910 59.910 59.740 0.169 18887 411 1 1 . 1 1 72 72 LYS CB C 72 33.260 33.260 31.646 1.614 18887 412 1 1 . 1 1 72 72 LYS H H 72 8.400 8.400 8.358 0.042 18887 413 1 1 . 1 1 73 73 GLU N N 73 122.670 122.670 119.025 3.645 18887 414 1 1 . 1 1 73 73 GLU HA H 73 4.160 4.160 4.032 0.128 18887 415 1 1 . 1 1 73 73 GLU C C 73 177.620 177.620 177.913 -0.293 18887 416 1 1 . 1 1 73 73 GLU CA C 73 60.380 60.380 59.046 1.334 18887 417 1 1 . 1 1 73 73 GLU CB C 73 28.660 28.660 29.053 -0.393 18887 418 1 1 . 1 1 73 73 GLU H H 73 9.960 9.960 7.925 2.035 18887 419 1 1 . 1 1 74 74 ARG N N 74 117.370 117.370 116.543 0.827 18887 420 1 1 . 1 1 74 74 ARG HA H 74 3.770 3.770 4.114 -0.344 18887 421 1 1 . 1 1 74 74 ARG C C 74 177.380 177.380 177.518 -0.138 18887 422 1 1 . 1 1 74 74 ARG CA C 74 59.010 59.010 57.694 1.316 18887 423 1 1 . 1 1 74 74 ARG CB C 74 32.720 32.720 30.078 2.642 18887 424 1 1 . 1 1 74 74 ARG H H 74 6.830 6.830 8.082 -1.252 18887 425 1 1 . 1 1 75 75 PHE N N 75 112.920 112.920 118.234 -5.314 18887 426 1 1 . 1 1 75 75 PHE HA H 75 4.280 4.280 4.453 -0.173 18887 427 1 1 . 1 1 75 75 PHE C C 75 174.870 174.870 175.885 -1.015 18887 428 1 1 . 1 1 75 75 PHE CA C 75 57.370 57.370 60.445 -3.075 18887 429 1 1 . 1 1 75 75 PHE CB C 75 39.380 39.380 39.264 0.117 18887 430 1 1 . 1 1 75 75 PHE H H 75 7.670 7.670 7.356 0.314 18887 431 1 1 . 1 1 76 76 ASP N N 76 121.780 121.780 118.647 3.133 18887 432 1 1 . 1 1 76 76 ASP HA H 76 4.380 4.380 4.579 -0.199 18887 433 1 1 . 1 1 76 76 ASP C C 76 177.380 177.380 177.199 0.181 18887 434 1 1 . 1 1 76 76 ASP CA C 76 57.700 57.700 56.279 1.421 18887 435 1 1 . 1 1 76 76 ASP CB C 76 41.270 41.270 41.532 -0.262 18887 436 1 1 . 1 1 76 76 ASP H H 76 7.210 7.210 8.186 -0.976 18887 437 1 1 . 1 1 77 77 GLY N N 77 111.910 111.910 110.913 0.997 18887 438 1 1 . 1 1 77 77 GLY C C 77 174.310 174.310 174.337 -0.027 18887 439 1 1 . 1 1 77 77 GLY CA C 77 46.290 46.290 44.959 1.331 18887 440 1 1 . 1 1 77 77 GLY H H 77 8.920 8.920 8.482 0.438 18887 441 1 1 . 1 1 78 78 LYS N N 78 117.910 117.910 120.118 -2.208 18887 442 1 1 . 1 1 78 78 LYS HA H 78 4.540 4.540 4.838 -0.298 18887 443 1 1 . 1 1 78 78 LYS C C 78 175.910 175.910 175.634 0.276 18887 444 1 1 . 1 1 78 78 LYS CA C 78 53.410 53.410 54.917 -1.507 18887 445 1 1 . 1 1 78 78 LYS CB C 78 32.780 32.780 34.375 -1.595 18887 446 1 1 . 1 1 78 78 LYS H H 78 7.700 7.700 7.735 -0.035 18887 447 1 1 . 1 1 79 79 VAL N N 79 124.500 124.500 122.373 2.127 18887 448 1 1 . 1 1 79 79 VAL HA H 79 3.850 3.850 4.308 -0.458 18887 449 1 1 . 1 1 79 79 VAL C C 79 174.140 174.140 174.560 -0.420 18887 450 1 1 . 1 1 79 79 VAL CA C 79 64.810 64.810 62.104 2.706 18887 451 1 1 . 1 1 79 79 VAL CB C 79 32.390 32.390 32.431 -0.041 18887 452 1 1 . 1 1 79 79 VAL H H 79 8.890 8.890 8.544 0.346 18887 453 1 1 . 1 1 80 80 VAL N N 80 125.810 125.810 124.766 1.044 18887 454 1 1 . 1 1 80 80 VAL HA H 80 4.690 4.690 5.124 -0.434 18887 455 1 1 . 1 1 80 80 VAL C C 80 175.270 175.270 173.918 1.352 18887 456 1 1 . 1 1 80 80 VAL CA C 80 60.670 60.670 58.635 2.035 18887 457 1 1 . 1 1 80 80 VAL CB C 80 35.970 35.970 35.132 0.838 18887 458 1 1 . 1 1 80 80 VAL H H 80 7.860 7.860 8.288 -0.428 18887 459 1 1 . 1 1 81 81 LEU N N 81 110.550 110.550 123.884 -13.334 18887 460 1 1 . 1 1 81 81 LEU HA H 81 4.490 4.490 4.791 -0.301 18887 461 1 1 . 1 1 81 81 LEU C C 81 173.930 173.930 175.067 -1.137 18887 462 1 1 . 1 1 81 81 LEU CA C 81 54.410 54.410 54.095 0.315 18887 463 1 1 . 1 1 81 81 LEU CB C 81 45.100 45.100 43.685 1.415 18887 464 1 1 . 1 1 81 81 LEU H H 81 8.790 8.790 9.034 -0.244 18887 465 1 1 . 1 1 82 82 GLU N N 82 111.070 111.070 128.438 -17.368 18887 466 1 1 . 1 1 82 82 GLU HA H 82 5.460 5.460 4.944 0.516 18887 467 1 1 . 1 1 82 82 GLU C C 82 175.440 175.440 175.426 0.014 18887 468 1 1 . 1 1 82 82 GLU CA C 82 56.010 56.010 55.760 0.250 18887 469 1 1 . 1 1 82 82 GLU CB C 82 32.100 32.100 30.583 1.517 18887 470 1 1 . 1 1 82 82 GLU H H 82 8.750 8.750 8.792 -0.042 18887 471 1 1 . 1 1 83 83 VAL N N 83 119.980 119.980 120.790 -0.810 18887 472 1 1 . 1 1 83 83 VAL HA H 83 4.950 4.950 4.779 0.171 18887 473 1 1 . 1 1 83 83 VAL C C 83 172.120 172.120 173.439 -1.319 18887 474 1 1 . 1 1 83 83 VAL CA C 83 58.760 58.760 58.192 0.568 18887 475 1 1 . 1 1 83 83 VAL CB C 83 34.570 34.570 34.086 0.484 18887 476 1 1 . 1 1 83 83 VAL H H 83 9.390 9.390 8.941 0.449 18887 477 1 1 . 1 1 84 84 PRO HA H 84 4.740 4.740 4.470 0.270 18887 478 1 1 . 1 1 84 84 PRO C C 84 178.300 178.300 177.717 0.583 18887 479 1 1 . 1 1 84 84 PRO CA C 84 63.330 63.330 62.738 0.592 18887 480 1 1 . 1 1 84 84 PRO CB C 84 33.430 33.430 32.074 1.356 18887 481 1 1 . 1 1 85 85 VAL N N 85 122.390 122.390 121.411 0.979 18887 482 1 1 . 1 1 85 85 VAL HA H 85 3.320 3.320 3.776 -0.456 18887 483 1 1 . 1 1 85 85 VAL C C 85 174.190 174.190 176.442 -2.252 18887 484 1 1 . 1 1 85 85 VAL CA C 85 66.540 66.540 64.320 2.220 18887 485 1 1 . 1 1 85 85 VAL CB C 85 32.970 32.970 32.194 0.776 18887 486 1 1 . 1 1 85 85 VAL H H 85 7.240 7.240 8.636 -1.396 18887 487 1 1 . 1 1 86 86 SER N N 86 125.590 125.590 113.024 12.566 18887 488 1 1 . 1 1 86 86 SER HA H 86 4.020 4.020 4.238 -0.218 18887 489 1 1 . 1 1 86 86 SER C C 86 176.940 176.940 175.462 1.478 18887 490 1 1 . 1 1 86 86 SER CA C 86 60.200 60.200 60.426 -0.226 18887 491 1 1 . 1 1 86 86 SER CB C 86 64.060 64.060 62.961 1.099 18887 492 1 1 . 1 1 86 86 SER H H 86 7.600 7.600 7.829 -0.229 18887 493 1 1 . 1 1 87 87 ALA N N 87 125.200 125.200 125.487 -0.287 18887 494 1 1 . 1 1 87 87 ALA HA H 87 4.280 4.280 4.230 0.050 18887 495 1 1 . 1 1 87 87 ALA C C 87 177.370 177.370 176.266 1.104 18887 496 1 1 . 1 1 87 87 ALA CA C 87 57.600 57.600 55.967 1.633 18887 497 1 1 . 1 1 87 87 ALA CB C 87 16.620 16.620 16.353 0.267 18887 498 1 1 . 1 1 87 87 ALA H H 87 7.870 7.870 7.774 0.096 18887 499 1 1 . 1 1 88 88 PRO HA H 88 4.000 4.000 4.311 -0.311 18887 500 1 1 . 1 1 88 88 PRO C C 88 175.090 175.090 176.823 -1.733 18887 501 1 1 . 1 1 88 88 PRO CA C 88 65.410 65.410 64.905 0.505 18887 502 1 1 . 1 1 88 88 PRO CB C 88 32.130 32.130 31.140 0.990 18887 503 1 1 . 1 1 89 89 ILE N N 89 114.700 114.700 116.246 -1.546 18887 504 1 1 . 1 1 89 89 ILE HA H 89 3.310 3.310 3.953 -0.643 18887 505 1 1 . 1 1 89 89 ILE C C 89 177.850 177.850 177.297 0.553 18887 506 1 1 . 1 1 89 89 ILE CA C 89 66.320 66.320 63.616 2.704 18887 507 1 1 . 1 1 89 89 ILE CB C 89 38.790 38.790 38.269 0.521 18887 508 1 1 . 1 1 89 89 ILE H H 89 6.300 6.300 7.280 -0.980 18887 509 1 1 . 1 1 90 90 LYS N N 90 118.530 118.530 118.280 0.250 18887 510 1 1 . 1 1 90 90 LYS HA H 90 4.060 4.060 4.368 -0.308 18887 511 1 1 . 1 1 90 90 LYS C C 90 177.390 177.390 177.268 0.122 18887 512 1 1 . 1 1 90 90 LYS CA C 90 59.710 59.710 57.360 2.350 18887 513 1 1 . 1 1 90 90 LYS CB C 90 33.940 33.940 33.939 0.001 18887 514 1 1 . 1 1 90 90 LYS H H 90 7.440 7.440 7.686 -0.246 18887 515 1 1 . 1 1 91 91 ASP N N 91 114.670 114.670 119.528 -4.858 18887 516 1 1 . 1 1 91 91 ASP HA H 91 4.530 4.530 4.863 -0.333 18887 517 1 1 . 1 1 91 91 ASP C C 91 174.350 174.350 175.581 -1.231 18887 518 1 1 . 1 1 91 91 ASP CA C 91 55.120 55.120 53.769 1.351 18887 519 1 1 . 1 1 91 91 ASP CB C 91 41.530 41.530 42.037 -0.507 18887 520 1 1 . 1 1 91 91 ASP H H 91 7.700 7.700 8.499 -0.799 18887 521 1 1 . 1 1 92 92 ALA N N 92 111.350 111.350 122.817 -11.467 18887 522 1 1 . 1 1 92 92 ALA HA H 92 3.830 3.830 3.903 -0.073 18887 523 1 1 . 1 1 92 92 ALA C C 92 169.330 169.330 178.954 -9.624 18887 524 1 1 . 1 1 92 92 ALA CA C 92 57.220 57.220 55.999 1.221 18887 525 1 1 . 1 1 92 92 ALA CB C 92 20.700 20.700 18.741 1.959 18887 526 1 1 . 1 1 92 92 ALA H H 92 8.860 8.860 8.371 0.489 18887 527 1 1 . 1 1 93 93 GLU N N 93 117.860 117.860 117.520 0.340 18887 528 1 1 . 1 1 93 93 GLU HA H 93 3.860 3.860 3.954 -0.094 18887 529 1 1 . 1 1 93 93 GLU C C 93 177.970 177.970 178.712 -0.742 18887 530 1 1 . 1 1 93 93 GLU CA C 93 61.240 61.240 59.930 1.310 18887 531 1 1 . 1 1 93 93 GLU CB C 93 30.570 30.570 28.569 2.001 18887 532 1 1 . 1 1 93 93 GLU H H 93 8.520 8.520 8.740 -0.220 18887 533 1 1 . 1 1 94 94 LYS N N 94 119.790 119.790 119.880 -0.090 18887 534 1 1 . 1 1 94 94 LYS HA H 94 3.930 3.930 4.157 -0.227 18887 535 1 1 . 1 1 94 94 LYS C C 94 169.840 169.840 178.705 -8.865 18887 536 1 1 . 1 1 94 94 LYS CA C 94 60.600 60.600 58.583 2.017 18887 537 1 1 . 1 1 94 94 LYS CB C 94 33.550 33.550 31.815 1.735 18887 538 1 1 . 1 1 94 94 LYS H H 94 7.670 7.670 7.337 0.333 18887 539 1 1 . 1 1 95 95 VAL N N 95 118.850 118.850 120.394 -1.544 18887 540 1 1 . 1 1 95 95 VAL HA H 95 3.590 3.590 3.660 -0.070 18887 541 1 1 . 1 1 95 95 VAL C C 95 176.620 176.620 178.034 -1.414 18887 542 1 1 . 1 1 95 95 VAL CA C 95 67.220 67.220 66.760 0.460 18887 543 1 1 . 1 1 95 95 VAL CB C 95 32.880 32.880 31.583 1.297 18887 544 1 1 . 1 1 95 95 VAL H H 95 7.150 7.150 8.129 -0.979 18887 545 1 1 . 1 1 96 96 ILE N N 96 119.120 119.120 120.191 -1.071 18887 546 1 1 . 1 1 96 96 ILE HA H 96 3.380 3.380 3.532 -0.152 18887 547 1 1 . 1 1 96 96 ILE C C 96 177.750 177.750 177.980 -0.230 18887 548 1 1 . 1 1 96 96 ILE CA C 96 67.190 67.190 65.700 1.490 18887 549 1 1 . 1 1 96 96 ILE CB C 96 38.440 38.440 37.178 1.262 18887 550 1 1 . 1 1 96 96 ILE H H 96 8.380 8.380 8.180 0.200 18887 551 1 1 . 1 1 97 97 ASN N N 97 117.000 117.000 118.326 -1.326 18887 552 1 1 . 1 1 97 97 ASN HA H 97 4.420 4.420 4.430 -0.010 18887 553 1 1 . 1 1 97 97 ASN C C 97 178.380 178.380 177.657 0.723 18887 554 1 1 . 1 1 97 97 ASN CA C 97 57.430 57.430 56.671 0.759 18887 555 1 1 . 1 1 97 97 ASN CB C 97 39.030 39.030 38.464 0.566 18887 556 1 1 . 1 1 97 97 ASN H H 97 8.730 8.730 7.990 0.740 18887 557 1 1 . 1 1 98 98 ALA N N 98 123.790 123.790 122.662 1.128 18887 558 1 1 . 1 1 98 98 ALA HA H 98 4.100 4.100 4.108 -0.008 18887 559 1 1 . 1 1 98 98 ALA C C 98 169.600 169.600 179.231 -9.631 18887 560 1 1 . 1 1 98 98 ALA CA C 98 55.890 55.890 54.908 0.982 18887 561 1 1 . 1 1 98 98 ALA CB C 98 18.850 18.850 18.227 0.623 18887 562 1 1 . 1 1 98 98 ALA H H 98 7.950 7.950 8.140 -0.190 18887 563 1 1 . 1 1 99 99 ALA N N 99 122.120 122.120 121.121 0.999 18887 564 1 1 . 1 1 99 99 ALA HA H 99 3.930 3.930 3.985 -0.055 18887 565 1 1 . 1 1 99 99 ALA C C 99 178.700 178.700 180.081 -1.381 18887 566 1 1 . 1 1 99 99 ALA CA C 99 55.920 55.920 54.663 1.257 18887 567 1 1 . 1 1 99 99 ALA CB C 99 18.960 18.960 18.520 0.440 18887 568 1 1 . 1 1 99 99 ALA H H 99 7.930 7.930 7.741 0.189 18887 569 1 1 . 1 1 100 100 LEU N N 100 115.870 115.870 118.993 -3.123 18887 570 1 1 . 1 1 100 100 LEU HA H 100 3.900 3.900 4.015 -0.115 18887 571 1 1 . 1 1 100 100 LEU C C 100 169.150 169.150 179.049 -9.899 18887 572 1 1 . 1 1 100 100 LEU CA C 100 58.140 58.140 57.303 0.837 18887 573 1 1 . 1 1 100 100 LEU CB C 100 41.730 41.730 41.518 0.212 18887 574 1 1 . 1 1 100 100 LEU H H 100 8.220 8.220 7.914 0.306 18887 575 1 1 . 1 1 101 101 ALA N N 101 120.410 120.410 121.826 -1.416 18887 576 1 1 . 1 1 101 101 ALA HA H 101 4.100 4.100 4.249 -0.149 18887 577 1 1 . 1 1 101 101 ALA C C 101 169.730 169.730 178.533 -8.803 18887 578 1 1 . 1 1 101 101 ALA CA C 101 55.680 55.680 54.646 1.034 18887 579 1 1 . 1 1 101 101 ALA CB C 101 18.860 18.860 18.485 0.375 18887 580 1 1 . 1 1 101 101 ALA H H 101 7.970 7.970 7.865 0.105 18887 581 1 1 . 1 1 102 102 LEU N N 102 115.090 115.090 118.078 -2.988 18887 582 1 1 . 1 1 102 102 LEU HA H 102 4.120 4.120 4.346 -0.226 18887 583 1 1 . 1 1 102 102 LEU C C 102 169.060 169.060 178.221 -9.161 18887 584 1 1 . 1 1 102 102 LEU CA C 102 57.870 57.870 56.428 1.442 18887 585 1 1 . 1 1 102 102 LEU CB C 102 43.730 43.730 42.250 1.480 18887 586 1 1 . 1 1 102 102 LEU H H 102 7.330 7.330 7.573 -0.243 18887 587 1 1 . 1 1 103 103 ILE N N 103 110.170 110.170 113.178 -3.008 18887 588 1 1 . 1 1 103 103 ILE HA H 103 4.430 4.430 4.349 0.081 18887 589 1 1 . 1 1 103 103 ILE C C 103 176.670 176.670 176.998 -0.328 18887 590 1 1 . 1 1 103 103 ILE CA C 103 62.520 62.520 61.853 0.667 18887 591 1 1 . 1 1 103 103 ILE CB C 103 40.020 40.020 39.804 0.215 18887 592 1 1 . 1 1 103 103 ILE H H 103 7.140 7.140 7.364 -0.224 18887 593 1 1 . 1 1 104 104 ASP N N 104 122.560 122.560 119.391 3.169 18887 594 1 1 . 1 1 104 104 ASP HA H 104 4.650 4.650 4.662 -0.012 18887 595 1 1 . 1 1 104 104 ASP C C 104 176.670 176.670 175.437 1.233 18887 596 1 1 . 1 1 104 104 ASP CA C 104 56.220 56.220 54.394 1.826 18887 597 1 1 . 1 1 104 104 ASP CB C 104 42.080 42.080 44.205 -2.125 18887 598 1 1 . 1 1 104 104 ASP H H 104 8.000 8.000 8.036 -0.036 18887 599 1 1 . 1 1 105 105 GLU N N 105 120.750 120.750 119.229 1.521 18887 600 1 1 . 1 1 105 105 GLU HA H 105 4.300 4.300 3.947 0.353 18887 601 1 1 . 1 1 105 105 GLU C C 105 175.470 175.470 174.580 0.890 18887 602 1 1 . 1 1 105 105 GLU CA C 105 57.640 57.640 57.521 0.119 18887 603 1 1 . 1 1 105 105 GLU CB C 105 30.870 30.870 28.966 1.904 18887 604 1 1 . 1 1 105 105 GLU H H 105 8.030 8.030 8.390 -0.360 18887 605 1 2 . 1 1 2 2 LYS N N 2 120.950 120.950 122.678 -1.728 18887 606 1 2 . 1 1 2 2 LYS HA H 2 4.330 4.330 4.629 -0.299 18887 607 1 2 . 1 1 2 2 LYS C C 2 176.040 176.040 175.674 0.366 18887 608 1 2 . 1 1 2 2 LYS CA C 2 57.850 57.850 55.617 2.233 18887 609 1 2 . 1 1 2 2 LYS CB C 2 33.480 33.480 31.400 2.080 18887 610 1 2 . 1 1 2 2 LYS H H 2 8.220 8.220 8.519 -0.299 18887 611 1 2 . 1 1 3 3 ARG N N 3 120.340 120.340 124.389 -4.049 18887 612 1 2 . 1 1 3 3 ARG HA H 3 4.660 4.660 4.322 0.338 18887 613 1 2 . 1 1 3 3 ARG C C 3 175.960 175.960 176.100 -0.140 18887 614 1 2 . 1 1 3 3 ARG CA C 3 53.810 53.810 55.125 -1.315 18887 615 1 2 . 1 1 3 3 ARG CB C 3 29.710 29.710 31.743 -2.033 18887 616 1 2 . 1 1 3 3 ARG H H 3 8.220 8.220 7.934 0.286 18887 617 1 2 . 1 1 4 4 LYS N N 4 121.540 121.540 125.581 -4.041 18887 618 1 2 . 1 1 4 4 LYS HA H 4 4.770 4.770 4.901 -0.131 18887 619 1 2 . 1 1 4 4 LYS C C 4 174.820 174.820 175.408 -0.588 18887 620 1 2 . 1 1 4 4 LYS CA C 4 57.230 57.230 55.701 1.529 18887 621 1 2 . 1 1 4 4 LYS CB C 4 33.800 33.800 32.391 1.409 18887 622 1 2 . 1 1 4 4 LYS H H 4 8.880 8.880 8.092 0.788 18887 623 1 2 . 1 1 5 5 ILE N N 5 125.030 125.030 125.537 -0.507 18887 624 1 2 . 1 1 5 5 ILE HA H 5 4.530 4.530 5.010 -0.480 18887 625 1 2 . 1 1 5 5 ILE C C 5 175.420 175.420 174.514 0.906 18887 626 1 2 . 1 1 5 5 ILE CA C 5 61.120 61.120 59.504 1.616 18887 627 1 2 . 1 1 5 5 ILE CB C 5 41.880 41.880 42.203 -0.322 18887 628 1 2 . 1 1 5 5 ILE H H 5 8.760 8.760 9.018 -0.258 18887 629 1 2 . 1 1 6 6 ILE N N 6 119.270 119.270 121.056 -1.786 18887 630 1 2 . 1 1 6 6 ILE HA H 6 5.440 5.440 4.948 0.492 18887 631 1 2 . 1 1 6 6 ILE C C 6 173.880 173.880 173.586 0.294 18887 632 1 2 . 1 1 6 6 ILE CA C 6 60.480 60.480 58.063 2.417 18887 633 1 2 . 1 1 6 6 ILE CB C 6 42.120 42.120 39.808 2.312 18887 634 1 2 . 1 1 6 6 ILE H H 6 8.110 8.110 8.241 -0.131 18887 635 1 2 . 1 1 7 7 ALA N N 7 122.330 122.330 128.109 -5.779 18887 636 1 2 . 1 1 7 7 ALA HA H 7 5.780 5.780 5.066 0.714 18887 637 1 2 . 1 1 7 7 ALA C C 7 173.950 173.950 175.387 -1.437 18887 638 1 2 . 1 1 7 7 ALA CA C 7 51.280 51.280 50.248 1.032 18887 639 1 2 . 1 1 7 7 ALA CB C 7 25.930 25.930 22.710 3.220 18887 640 1 2 . 1 1 7 7 ALA H H 7 8.790 8.790 8.970 -0.180 18887 641 1 2 . 1 1 8 8 VAL N N 8 119.860 119.860 124.633 -4.773 18887 642 1 2 . 1 1 8 8 VAL HA H 8 5.190 5.190 4.468 0.722 18887 643 1 2 . 1 1 8 8 VAL C C 8 175.590 175.590 175.407 0.183 18887 644 1 2 . 1 1 8 8 VAL CA C 8 61.340 61.340 60.625 0.715 18887 645 1 2 . 1 1 8 8 VAL CB C 8 36.650 36.650 33.018 3.632 18887 646 1 2 . 1 1 8 8 VAL H H 8 8.950 8.950 8.498 0.452 18887 647 1 2 . 1 1 9 9 THR N N 9 116.320 116.320 119.126 -2.806 18887 648 1 2 . 1 1 9 9 THR HA H 9 5.500 5.500 5.267 0.233 18887 649 1 2 . 1 1 9 9 THR C C 9 172.920 172.920 173.391 -0.471 18887 650 1 2 . 1 1 9 9 THR CA C 9 59.470 59.470 59.771 -0.301 18887 651 1 2 . 1 1 9 9 THR CB C 9 71.510 71.510 69.440 2.070 18887 652 1 2 . 1 1 9 9 THR H H 9 8.860 8.860 9.042 -0.182 18887 653 1 2 . 1 1 10 10 ALA N N 10 121.780 121.780 129.862 -8.082 18887 654 1 2 . 1 1 10 10 ALA HA H 10 4.800 4.800 5.507 -0.707 18887 655 1 2 . 1 1 10 10 ALA C C 10 174.680 174.680 175.335 -0.655 18887 656 1 2 . 1 1 10 10 ALA CA C 10 54.300 54.300 50.717 3.583 18887 657 1 2 . 1 1 10 10 ALA CB C 10 22.940 22.940 22.037 0.903 18887 658 1 2 . 1 1 10 10 ALA H H 10 7.710 7.710 8.649 -0.939 18887 659 1 2 . 1 1 11 11 CYS N N 11 121.780 121.780 122.519 -0.739 18887 660 1 2 . 1 1 11 11 CYS HA H 11 5.160 5.160 4.846 0.314 18887 661 1 2 . 1 1 11 11 CYS C C 11 174.700 174.700 173.910 0.790 18887 662 1 2 . 1 1 11 11 CYS CA C 11 57.150 57.150 57.702 -0.552 18887 663 1 2 . 1 1 11 11 CYS CB C 11 30.830 30.830 31.434 -0.604 18887 664 1 2 . 1 1 11 11 CYS H H 11 8.140 8.140 8.045 0.095 18887 665 1 2 . 1 1 12 12 ALA N N 12 113.900 113.900 129.122 -15.222 18887 666 1 2 . 1 1 12 12 ALA HA H 12 4.220 4.220 4.470 -0.250 18887 667 1 2 . 1 1 12 12 ALA C C 12 168.950 168.950 177.887 -8.937 18887 668 1 2 . 1 1 12 12 ALA CA C 12 55.270 55.270 52.724 2.546 18887 669 1 2 . 1 1 12 12 ALA CB C 12 20.320 20.320 19.194 1.127 18887 670 1 2 . 1 1 12 12 ALA H H 12 10.630 10.630 8.593 2.037 18887 671 1 2 . 1 1 13 13 THR N N 13 109.490 109.490 114.626 -5.136 18887 672 1 2 . 1 1 13 13 THR HA H 13 4.390 4.390 4.298 0.092 18887 673 1 2 . 1 1 13 13 THR C C 13 174.870 174.870 175.321 -0.451 18887 674 1 2 . 1 1 13 13 THR CA C 13 62.910 62.910 64.621 -1.711 18887 675 1 2 . 1 1 13 13 THR CB C 13 70.640 70.640 69.723 0.917 18887 676 1 2 . 1 1 13 13 THR H H 13 8.180 8.180 7.618 0.562 18887 677 1 2 . 1 1 14 14 GLY N N 14 111.450 111.450 109.681 1.769 18887 678 1 2 . 1 1 14 14 GLY C C 14 173.680 173.680 174.259 -0.579 18887 679 1 2 . 1 1 14 14 GLY CA C 14 47.050 47.050 44.583 2.467 18887 680 1 2 . 1 1 14 14 GLY H H 14 7.880 7.880 7.858 0.022 18887 681 1 2 . 1 1 15 15 VAL N N 15 119.530 119.530 125.213 -5.683 18887 682 1 2 . 1 1 15 15 VAL HA H 15 4.110 4.110 3.671 0.439 18887 683 1 2 . 1 1 15 15 VAL C C 15 176.860 176.860 177.462 -0.602 18887 684 1 2 . 1 1 15 15 VAL CA C 15 64.740 64.740 65.330 -0.590 18887 685 1 2 . 1 1 15 15 VAL CB C 15 33.690 33.690 31.979 1.711 18887 686 1 2 . 1 1 15 15 VAL H H 15 8.250 8.250 8.694 -0.444 18887 687 1 2 . 1 1 16 16 ALA N N 16 123.230 123.230 121.922 1.308 18887 688 1 2 . 1 1 16 16 ALA HA H 16 4.230 4.230 4.101 0.129 18887 689 1 2 . 1 1 16 16 ALA C C 16 170.610 170.610 179.542 -8.932 18887 690 1 2 . 1 1 16 16 ALA CA C 16 56.280 56.280 54.635 1.645 18887 691 1 2 . 1 1 16 16 ALA CB C 16 19.320 19.320 18.095 1.225 18887 692 1 2 . 1 1 16 16 ALA H H 16 8.430 8.430 8.152 0.278 18887 693 1 2 . 1 1 17 17 HIS HA H 17 4.380 4.380 4.343 0.037 18887 694 1 2 . 1 1 17 17 HIS C C 17 177.260 177.260 177.911 -0.651 18887 695 1 2 . 1 1 17 17 HIS CA C 17 60.060 60.060 58.284 1.776 18887 696 1 2 . 1 1 17 17 HIS CB C 17 31.990 31.990 29.816 2.174 18887 697 1 2 . 1 1 18 18 THR N N 18 115.830 115.830 117.803 -1.973 18887 698 1 2 . 1 1 18 18 THR HA H 18 3.540 3.540 3.938 -0.398 18887 699 1 2 . 1 1 18 18 THR C C 18 176.690 176.690 176.087 0.603 18887 700 1 2 . 1 1 18 18 THR CA C 18 67.700 67.700 67.563 0.137 18887 701 1 2 . 1 1 18 18 THR CB C 18 69.550 69.550 68.806 0.744 18887 702 1 2 . 1 1 18 18 THR H H 18 7.590 7.590 7.657 -0.067 18887 703 1 2 . 1 1 19 19 TYR N N 19 121.050 121.050 119.624 1.426 18887 704 1 2 . 1 1 19 19 TYR HA H 19 4.340 4.340 4.373 -0.033 18887 705 1 2 . 1 1 19 19 TYR C C 19 178.420 178.420 177.908 0.512 18887 706 1 2 . 1 1 19 19 TYR CA C 19 61.220 61.220 61.370 -0.150 18887 707 1 2 . 1 1 19 19 TYR CB C 19 38.400 38.400 37.990 0.410 18887 708 1 2 . 1 1 19 19 TYR H H 19 7.710 7.710 7.608 0.102 18887 709 1 2 . 1 1 20 20 MET N N 20 120.220 120.220 120.135 0.085 18887 710 1 2 . 1 1 20 20 MET HA H 20 4.160 4.160 3.997 0.163 18887 711 1 2 . 1 1 20 20 MET C C 20 169.550 169.550 177.952 -8.402 18887 712 1 2 . 1 1 20 20 MET CA C 20 60.050 60.050 58.990 1.060 18887 713 1 2 . 1 1 20 20 MET CB C 20 34.410 34.410 32.772 1.638 18887 714 1 2 . 1 1 20 20 MET H H 20 8.470 8.470 8.555 -0.085 18887 715 1 2 . 1 1 21 21 ALA N N 21 122.280 122.280 121.516 0.764 18887 716 1 2 . 1 1 21 21 ALA HA H 21 3.870 3.870 3.964 -0.094 18887 717 1 2 . 1 1 21 21 ALA C C 21 178.630 178.630 179.032 -0.402 18887 718 1 2 . 1 1 21 21 ALA CA C 21 56.760 56.760 55.294 1.466 18887 719 1 2 . 1 1 21 21 ALA CB C 21 19.690 19.690 18.166 1.524 18887 720 1 2 . 1 1 21 21 ALA H H 21 8.490 8.490 8.620 -0.130 18887 721 1 2 . 1 1 22 22 ALA N N 22 120.240 120.240 120.578 -0.338 18887 722 1 2 . 1 1 22 22 ALA HA H 22 3.900 3.900 3.904 -0.004 18887 723 1 2 . 1 1 22 22 ALA C C 22 169.200 169.200 180.109 -10.909 18887 724 1 2 . 1 1 22 22 ALA CA C 22 56.880 56.880 55.135 1.745 18887 725 1 2 . 1 1 22 22 ALA CB C 22 19.560 19.560 18.108 1.452 18887 726 1 2 . 1 1 22 22 ALA H H 22 7.660 7.660 7.757 -0.097 18887 727 1 2 . 1 1 23 23 GLN N N 23 116.680 116.680 118.572 -1.892 18887 728 1 2 . 1 1 23 23 GLN HA H 23 3.940 3.940 4.021 -0.081 18887 729 1 2 . 1 1 23 23 GLN C C 23 178.500 178.500 178.565 -0.065 18887 730 1 2 . 1 1 23 23 GLN CA C 23 59.550 59.550 58.684 0.866 18887 731 1 2 . 1 1 23 23 GLN CB C 23 29.660 29.660 28.878 0.782 18887 732 1 2 . 1 1 23 23 GLN H H 23 8.430 8.430 8.000 0.430 18887 733 1 2 . 1 1 24 24 ALA N N 24 121.760 121.760 122.973 -1.213 18887 734 1 2 . 1 1 24 24 ALA HA H 24 4.140 4.140 4.032 0.108 18887 735 1 2 . 1 1 24 24 ALA C C 24 171.490 171.490 179.412 -7.922 18887 736 1 2 . 1 1 24 24 ALA CA C 24 56.060 56.060 55.230 0.830 18887 737 1 2 . 1 1 24 24 ALA CB C 24 19.760 19.760 18.577 1.183 18887 738 1 2 . 1 1 24 24 ALA H H 24 8.130 8.130 8.233 -0.103 18887 739 1 2 . 1 1 25 25 LEU N N 25 118.730 118.730 120.696 -1.966 18887 740 1 2 . 1 1 25 25 LEU HA H 25 3.850 3.850 4.030 -0.180 18887 741 1 2 . 1 1 25 25 LEU C C 25 177.990 177.990 178.440 -0.450 18887 742 1 2 . 1 1 25 25 LEU CA C 25 59.280 59.280 57.894 1.386 18887 743 1 2 . 1 1 25 25 LEU CB C 25 43.190 43.190 41.687 1.503 18887 744 1 2 . 1 1 25 25 LEU H H 25 8.030 8.030 8.605 -0.575 18887 745 1 2 . 1 1 26 26 LYS N N 26 118.850 118.850 118.642 0.208 18887 746 1 2 . 1 1 26 26 LYS HA H 26 3.840 3.840 3.888 -0.048 18887 747 1 2 . 1 1 26 26 LYS C C 26 169.460 169.460 178.657 -9.197 18887 748 1 2 . 1 1 26 26 LYS CA C 26 61.420 61.420 59.660 1.760 18887 749 1 2 . 1 1 26 26 LYS CB C 26 33.440 33.440 32.216 1.224 18887 750 1 2 . 1 1 26 26 LYS H H 26 8.000 8.000 7.924 0.076 18887 751 1 2 . 1 1 27 27 LYS N N 27 120.350 120.350 119.849 0.501 18887 752 1 2 . 1 1 27 27 LYS HA H 27 3.990 3.990 4.057 -0.067 18887 753 1 2 . 1 1 27 27 LYS C C 27 169.670 169.670 179.218 -9.548 18887 754 1 2 . 1 1 27 27 LYS CA C 27 60.700 60.700 58.985 1.715 18887 755 1 2 . 1 1 27 27 LYS CB C 27 33.620 33.620 31.965 1.655 18887 756 1 2 . 1 1 27 27 LYS H H 27 8.350 8.350 8.000 0.350 18887 757 1 2 . 1 1 28 28 GLY N N 28 125.170 125.170 106.178 18.992 18887 758 1 2 . 1 1 28 28 GLY C C 28 174.520 174.520 175.805 -1.285 18887 759 1 2 . 1 1 28 28 GLY CA C 28 47.870 47.870 46.801 1.069 18887 760 1 2 . 1 1 28 28 GLY H H 28 8.410 8.410 8.012 0.398 18887 761 1 2 . 1 1 29 29 ALA N N 29 122.370 122.370 125.205 -2.835 18887 762 1 2 . 1 1 29 29 ALA HA H 29 3.820 3.820 4.002 -0.182 18887 763 1 2 . 1 1 29 29 ALA C C 29 169.050 169.050 178.989 -9.939 18887 764 1 2 . 1 1 29 29 ALA CA C 29 56.840 56.840 54.709 2.131 18887 765 1 2 . 1 1 29 29 ALA CB C 29 18.800 18.800 18.307 0.493 18887 766 1 2 . 1 1 29 29 ALA H H 29 8.280 8.280 8.059 0.221 18887 767 1 2 . 1 1 30 30 LYS N N 30 117.490 117.490 118.473 -0.983 18887 768 1 2 . 1 1 30 30 LYS HA H 30 4.130 4.130 4.048 0.082 18887 769 1 2 . 1 1 30 30 LYS C C 30 170.330 170.330 178.603 -8.273 18887 770 1 2 . 1 1 30 30 LYS CA C 30 60.420 60.420 58.905 1.515 18887 771 1 2 . 1 1 30 30 LYS CB C 30 33.230 33.230 32.463 0.767 18887 772 1 2 . 1 1 30 30 LYS H H 30 7.720 7.720 8.260 -0.540 18887 773 1 2 . 1 1 31 31 LYS N N 31 121.050 121.050 118.726 2.324 18887 774 1 2 . 1 1 31 31 LYS HA H 31 4.020 4.020 4.091 -0.071 18887 775 1 2 . 1 1 31 31 LYS C C 31 178.160 178.160 178.476 -0.316 18887 776 1 2 . 1 1 31 31 LYS CA C 31 60.360 60.360 58.831 1.529 18887 777 1 2 . 1 1 31 31 LYS CB C 31 33.380 33.380 32.437 0.943 18887 778 1 2 . 1 1 31 31 LYS H H 31 7.930 7.930 7.600 0.330 18887 779 1 2 . 1 1 32 32 MET N N 32 114.620 114.620 115.800 -1.180 18887 780 1 2 . 1 1 32 32 MET HA H 32 4.240 4.240 4.462 -0.222 18887 781 1 2 . 1 1 32 32 MET C C 32 175.810 175.810 177.440 -1.630 18887 782 1 2 . 1 1 32 32 MET CA C 32 57.400 57.400 55.688 1.712 18887 783 1 2 . 1 1 32 32 MET CB C 32 37.710 37.710 33.306 4.404 18887 784 1 2 . 1 1 32 32 MET H H 32 7.420 7.420 7.645 -0.225 18887 785 1 2 . 1 1 33 33 GLY N N 33 124.900 124.900 107.624 17.276 18887 786 1 2 . 1 1 33 33 GLY C C 33 174.340 174.340 173.629 0.711 18887 787 1 2 . 1 1 33 33 GLY CA C 33 46.830 46.830 44.850 1.980 18887 788 1 2 . 1 1 33 33 GLY H H 33 7.860 7.860 8.118 -0.258 18887 789 1 2 . 1 1 34 34 ASN N N 34 116.070 116.070 117.550 -1.480 18887 790 1 2 . 1 1 34 34 ASN HA H 34 5.210 5.210 4.923 0.287 18887 791 1 2 . 1 1 34 34 ASN C C 34 173.080 173.080 173.859 -0.779 18887 792 1 2 . 1 1 34 34 ASN CA C 34 52.770 52.770 51.704 1.066 18887 793 1 2 . 1 1 34 34 ASN CB C 34 42.880 42.880 40.976 1.904 18887 794 1 2 . 1 1 34 34 ASN H H 34 8.160 8.160 7.746 0.414 18887 795 1 2 . 1 1 35 35 LEU N N 35 121.450 121.450 119.623 1.827 18887 796 1 2 . 1 1 35 35 LEU HA H 35 4.620 4.620 4.744 -0.124 18887 797 1 2 . 1 1 35 35 LEU C C 35 174.930 174.930 175.679 -0.749 18887 798 1 2 . 1 1 35 35 LEU CA C 35 55.150 55.150 53.917 1.233 18887 799 1 2 . 1 1 35 35 LEU CB C 35 44.760 44.760 43.438 1.322 18887 800 1 2 . 1 1 35 35 LEU H H 35 8.770 8.770 8.284 0.486 18887 801 1 2 . 1 1 36 36 ILE N N 36 119.690 119.690 122.553 -2.863 18887 802 1 2 . 1 1 36 36 ILE HA H 36 5.660 5.660 5.177 0.483 18887 803 1 2 . 1 1 36 36 ILE C C 36 172.620 172.620 174.499 -1.879 18887 804 1 2 . 1 1 36 36 ILE CA C 36 59.410 59.410 59.200 0.210 18887 805 1 2 . 1 1 36 36 ILE CB C 36 44.340 44.340 41.778 2.562 18887 806 1 2 . 1 1 36 36 ILE H H 36 8.390 8.390 8.468 -0.078 18887 807 1 2 . 1 1 37 37 LYS N N 37 126.230 126.230 129.508 -3.278 18887 808 1 2 . 1 1 37 37 LYS HA H 37 4.590 4.590 4.682 -0.092 18887 809 1 2 . 1 1 37 37 LYS C C 37 174.340 174.340 174.670 -0.330 18887 810 1 2 . 1 1 37 37 LYS CA C 37 57.050 57.050 53.546 3.504 18887 811 1 2 . 1 1 37 37 LYS CB C 37 36.860 36.860 32.554 4.306 18887 812 1 2 . 1 1 37 37 LYS H H 37 7.210 7.210 8.853 -1.643 18887 813 1 2 . 1 1 38 38 VAL N N 38 124.270 124.270 122.237 2.033 18887 814 1 2 . 1 1 38 38 VAL HA H 38 4.920 4.920 5.187 -0.267 18887 815 1 2 . 1 1 38 38 VAL C C 38 174.660 174.660 175.789 -1.129 18887 816 1 2 . 1 1 38 38 VAL CA C 38 61.420 61.420 59.913 1.507 18887 817 1 2 . 1 1 38 38 VAL CB C 38 35.020 35.020 32.754 2.266 18887 818 1 2 . 1 1 38 38 VAL H H 38 8.760 8.760 8.488 0.272 18887 819 1 2 . 1 1 39 39 GLU N N 39 114.800 114.800 126.828 -12.028 18887 820 1 2 . 1 1 39 39 GLU HA H 39 5.020 5.020 4.705 0.315 18887 821 1 2 . 1 1 39 39 GLU C C 39 175.680 175.680 175.350 0.330 18887 822 1 2 . 1 1 39 39 GLU CA C 39 55.680 55.680 54.183 1.497 18887 823 1 2 . 1 1 39 39 GLU CB C 39 33.940 33.940 32.968 0.972 18887 824 1 2 . 1 1 39 39 GLU H H 39 9.210 9.210 9.016 0.194 18887 825 1 2 . 1 1 40 40 THR N N 40 115.120 115.120 118.979 -3.859 18887 826 1 2 . 1 1 40 40 THR HA H 40 5.180 5.180 4.923 0.257 18887 827 1 2 . 1 1 40 40 THR C C 40 174.200 174.200 173.355 0.845 18887 828 1 2 . 1 1 40 40 THR CA C 40 59.710 59.710 60.541 -0.831 18887 829 1 2 . 1 1 40 40 THR CB C 40 71.270 71.270 69.407 1.863 18887 830 1 2 . 1 1 40 40 THR H H 40 8.500 8.500 8.595 -0.095 18887 831 1 2 . 1 1 41 41 GLN N N 41 119.850 119.850 126.463 -6.613 18887 832 1 2 . 1 1 41 41 GLN HA H 41 4.990 4.990 5.257 -0.267 18887 833 1 2 . 1 1 41 41 GLN C C 41 175.110 175.110 174.439 0.671 18887 834 1 2 . 1 1 41 41 GLN CA C 41 54.980 54.980 53.820 1.160 18887 835 1 2 . 1 1 41 41 GLN CB C 41 29.780 29.780 33.452 -3.672 18887 836 1 2 . 1 1 41 41 GLN H H 41 8.470 8.470 8.832 -0.362 18887 837 1 2 . 1 1 42 42 GLY N N 42 109.530 109.530 108.694 0.836 18887 838 1 2 . 1 1 42 42 GLY C C 42 174.750 174.750 172.162 2.588 18887 839 1 2 . 1 1 42 42 GLY CA C 42 45.630 45.630 46.207 -0.577 18887 840 1 2 . 1 1 42 42 GLY H H 42 7.890 7.890 8.166 -0.276 18887 841 1 2 . 1 1 43 43 ALA N N 43 123.850 123.850 123.199 0.651 18887 842 1 2 . 1 1 43 43 ALA HA H 43 4.170 4.170 4.777 -0.607 18887 843 1 2 . 1 1 43 43 ALA C C 43 169.490 169.490 176.765 -7.275 18887 844 1 2 . 1 1 43 43 ALA CA C 43 56.170 56.170 52.371 3.799 18887 845 1 2 . 1 1 43 43 ALA CB C 43 19.910 19.910 20.102 -0.193 18887 846 1 2 . 1 1 43 43 ALA H H 43 8.730 8.730 7.915 0.815 18887 847 1 2 . 1 1 44 44 THR N N 44 122.380 122.380 113.676 8.704 18887 848 1 2 . 1 1 44 44 THR HA H 44 4.390 4.390 3.980 0.410 18887 849 1 2 . 1 1 44 44 THR C C 44 174.260 174.260 173.362 0.898 18887 850 1 2 . 1 1 44 44 THR CA C 44 62.190 62.190 62.831 -0.641 18887 851 1 2 . 1 1 44 44 THR CB C 44 70.080 70.080 68.144 1.936 18887 852 1 2 . 1 1 44 44 THR H H 44 7.950 7.950 8.536 -0.586 18887 853 1 2 . 1 1 45 45 GLY N N 45 109.360 109.360 108.220 1.140 18887 854 1 2 . 1 1 45 45 GLY C C 45 172.380 172.380 172.170 0.210 18887 855 1 2 . 1 1 45 45 GLY CA C 45 45.510 45.510 44.649 0.861 18887 856 1 2 . 1 1 45 45 GLY H H 45 7.560 7.560 7.967 -0.407 18887 857 1 2 . 1 1 46 46 ILE N N 46 122.050 122.050 124.167 -2.117 18887 858 1 2 . 1 1 46 46 ILE HA H 46 4.780 4.780 4.486 0.294 18887 859 1 2 . 1 1 46 46 ILE C C 46 176.010 176.010 175.535 0.475 18887 860 1 2 . 1 1 46 46 ILE CA C 46 61.950 61.950 60.697 1.253 18887 861 1 2 . 1 1 46 46 ILE CB C 46 40.810 40.810 39.686 1.124 18887 862 1 2 . 1 1 46 46 ILE H H 46 8.480 8.480 8.322 0.158 18887 863 1 2 . 1 1 47 47 GLU N N 47 109.160 109.160 129.687 -20.527 18887 864 1 2 . 1 1 47 47 GLU HA H 47 4.660 4.660 4.237 0.423 18887 865 1 2 . 1 1 47 47 GLU C C 47 174.750 174.750 177.153 -2.403 18887 866 1 2 . 1 1 47 47 GLU CA C 47 55.940 55.940 57.715 -1.775 18887 867 1 2 . 1 1 47 47 GLU CB C 47 33.640 33.640 30.373 3.267 18887 868 1 2 . 1 1 47 47 GLU H H 47 9.000 9.000 9.033 -0.033 18887 869 1 2 . 1 1 48 48 ASN N N 48 120.510 120.510 117.823 2.687 18887 870 1 2 . 1 1 48 48 ASN HA H 48 4.230 4.230 4.562 -0.332 18887 871 1 2 . 1 1 48 48 ASN C C 48 173.090 173.090 174.566 -1.476 18887 872 1 2 . 1 1 48 48 ASN CA C 48 54.770 54.770 54.013 0.757 18887 873 1 2 . 1 1 48 48 ASN CB C 48 38.800 38.800 38.939 -0.139 18887 874 1 2 . 1 1 48 48 ASN H H 48 8.930 8.930 8.046 0.884 18887 875 1 2 . 1 1 49 49 GLU N N 49 114.160 114.160 118.529 -4.369 18887 876 1 2 . 1 1 49 49 GLU HA H 49 3.890 3.890 4.147 -0.257 18887 877 1 2 . 1 1 49 49 GLU C C 49 177.780 177.780 175.279 2.501 18887 878 1 2 . 1 1 49 49 GLU CA C 49 57.870 57.870 56.989 0.881 18887 879 1 2 . 1 1 49 49 GLU CB C 49 31.900 31.900 28.392 3.508 18887 880 1 2 . 1 1 49 49 GLU H H 49 7.690 7.690 8.249 -0.559 18887 881 1 2 . 1 1 50 50 LEU N N 50 109.440 109.440 126.979 -17.539 18887 882 1 2 . 1 1 50 50 LEU HA H 50 4.680 4.680 4.308 0.372 18887 883 1 2 . 1 1 50 50 LEU C C 50 177.490 177.490 177.215 0.275 18887 884 1 2 . 1 1 50 50 LEU CA C 50 55.520 55.520 55.029 0.491 18887 885 1 2 . 1 1 50 50 LEU CB C 50 43.440 43.440 41.870 1.570 18887 886 1 2 . 1 1 50 50 LEU H H 50 9.560 9.560 9.328 0.232 18887 887 1 2 . 1 1 51 51 THR N N 51 117.490 117.490 118.177 -0.687 18887 888 1 2 . 1 1 51 51 THR HA H 51 4.420 4.420 4.271 0.149 18887 889 1 2 . 1 1 51 51 THR C C 51 175.010 175.010 175.646 -0.636 18887 890 1 2 . 1 1 51 51 THR CA C 51 61.230 61.230 61.209 0.021 18887 891 1 2 . 1 1 51 51 THR CB C 51 72.860 72.860 70.108 2.752 18887 892 1 2 . 1 1 51 51 THR H H 51 9.380 9.380 8.255 1.125 18887 893 1 2 . 1 1 52 52 GLU N N 52 120.490 120.490 123.025 -2.535 18887 894 1 2 . 1 1 52 52 GLU HA H 52 3.860 3.860 3.901 -0.041 18887 895 1 2 . 1 1 52 52 GLU C C 52 178.660 178.660 178.765 -0.105 18887 896 1 2 . 1 1 52 52 GLU CA C 52 61.130 61.130 60.339 0.791 18887 897 1 2 . 1 1 52 52 GLU CB C 52 30.280 30.280 28.966 1.313 18887 898 1 2 . 1 1 52 52 GLU H H 52 8.910 8.910 8.896 0.014 18887 899 1 2 . 1 1 53 53 LYS N N 53 118.660 118.660 118.864 -0.204 18887 900 1 2 . 1 1 53 53 LYS HA H 53 4.020 4.020 4.004 0.016 18887 901 1 2 . 1 1 53 53 LYS C C 53 178.190 178.190 178.888 -0.698 18887 902 1 2 . 1 1 53 53 LYS CA C 53 60.390 60.390 59.834 0.556 18887 903 1 2 . 1 1 53 53 LYS CB C 53 33.210 33.210 31.960 1.250 18887 904 1 2 . 1 1 53 53 LYS H H 53 7.890 7.890 8.376 -0.486 18887 905 1 2 . 1 1 54 54 ASP N N 54 118.400 118.400 119.463 -1.063 18887 906 1 2 . 1 1 54 54 ASP HA H 54 4.200 4.200 4.437 -0.237 18887 907 1 2 . 1 1 54 54 ASP C C 54 169.070 169.070 178.709 -9.639 18887 908 1 2 . 1 1 54 54 ASP CA C 54 58.300 58.300 57.604 0.696 18887 909 1 2 . 1 1 54 54 ASP CB C 54 43.110 43.110 40.207 2.903 18887 910 1 2 . 1 1 54 54 ASP H H 54 7.440 7.440 7.765 -0.325 18887 911 1 2 . 1 1 55 55 VAL N N 55 118.420 118.420 119.644 -1.224 18887 912 1 2 . 1 1 55 55 VAL HA H 55 3.520 3.520 3.898 -0.378 18887 913 1 2 . 1 1 55 55 VAL C C 55 176.980 176.980 177.306 -0.326 18887 914 1 2 . 1 1 55 55 VAL CA C 55 66.950 66.950 66.501 0.449 18887 915 1 2 . 1 1 55 55 VAL CB C 55 32.360 32.360 31.222 1.138 18887 916 1 2 . 1 1 55 55 VAL H H 55 8.150 8.150 8.123 0.027 18887 917 1 2 . 1 1 56 56 ASN N N 56 117.100 117.100 115.243 1.857 18887 918 1 2 . 1 1 56 56 ASN HA H 56 4.410 4.410 4.628 -0.218 18887 919 1 2 . 1 1 56 56 ASN C C 56 177.330 177.330 176.957 0.373 18887 920 1 2 . 1 1 56 56 ASN CA C 56 57.170 57.170 55.084 2.086 18887 921 1 2 . 1 1 56 56 ASN CB C 56 39.930 39.930 39.359 0.571 18887 922 1 2 . 1 1 56 56 ASN H H 56 8.000 8.000 7.880 0.120 18887 923 1 2 . 1 1 57 57 ILE N N 57 115.580 115.580 119.571 -3.991 18887 924 1 2 . 1 1 57 57 ILE HA H 57 3.950 3.950 3.980 -0.030 18887 925 1 2 . 1 1 57 57 ILE C C 57 176.980 176.980 176.841 0.139 18887 926 1 2 . 1 1 57 57 ILE CA C 57 63.240 63.240 63.635 -0.395 18887 927 1 2 . 1 1 57 57 ILE CB C 57 39.890 39.890 38.589 1.301 18887 928 1 2 . 1 1 57 57 ILE H H 57 7.600 7.600 7.709 -0.109 18887 929 1 2 . 1 1 58 58 GLY N N 58 124.080 124.080 106.705 17.375 18887 930 1 2 . 1 1 58 58 GLY C C 58 173.190 173.190 174.181 -0.991 18887 931 1 2 . 1 1 58 58 GLY CA C 58 47.110 47.110 45.087 2.023 18887 932 1 2 . 1 1 58 58 GLY H H 58 7.630 7.630 8.107 -0.477 18887 933 1 2 . 1 1 59 59 GLU N N 59 123.240 123.240 126.466 -3.226 18887 934 1 2 . 1 1 59 59 GLU HA H 59 4.240 4.240 4.250 -0.010 18887 935 1 2 . 1 1 59 59 GLU C C 59 176.750 176.750 176.945 -0.195 18887 936 1 2 . 1 1 59 59 GLU CA C 59 59.830 59.830 58.823 1.007 18887 937 1 2 . 1 1 59 59 GLU CB C 59 33.100 33.100 30.557 2.543 18887 938 1 2 . 1 1 59 59 GLU H H 59 9.350 9.350 8.867 0.483 18887 939 1 2 . 1 1 60 60 VAL N N 60 114.370 114.370 113.641 0.729 18887 940 1 2 . 1 1 60 60 VAL HA H 60 4.410 4.410 4.654 -0.244 18887 941 1 2 . 1 1 60 60 VAL C C 60 170.270 170.270 174.922 -4.652 18887 942 1 2 . 1 1 60 60 VAL CA C 60 60.710 60.710 61.100 -0.390 18887 943 1 2 . 1 1 60 60 VAL CB C 60 35.150 35.150 33.223 1.927 18887 944 1 2 . 1 1 60 60 VAL H H 60 7.640 7.640 7.369 0.271 18887 945 1 2 . 1 1 61 61 VAL N N 61 125.780 125.780 122.689 3.091 18887 946 1 2 . 1 1 61 61 VAL HA H 61 4.970 4.970 4.916 0.054 18887 947 1 2 . 1 1 61 61 VAL C C 61 174.450 174.450 175.110 -0.660 18887 948 1 2 . 1 1 61 61 VAL CA C 61 60.260 60.260 59.764 0.496 18887 949 1 2 . 1 1 61 61 VAL CB C 61 34.710 34.710 33.721 0.989 18887 950 1 2 . 1 1 61 61 VAL H H 61 8.290 8.290 8.802 -0.512 18887 951 1 2 . 1 1 62 62 ILE N N 62 124.740 124.740 124.834 -0.094 18887 952 1 2 . 1 1 62 62 ILE HA H 62 4.820 4.820 4.669 0.151 18887 953 1 2 . 1 1 62 62 ILE C C 62 175.020 175.020 174.235 0.785 18887 954 1 2 . 1 1 62 62 ILE CA C 62 60.490 60.490 59.859 0.631 18887 955 1 2 . 1 1 62 62 ILE CB C 62 42.560 42.560 40.721 1.839 18887 956 1 2 . 1 1 62 62 ILE H H 62 8.580 8.580 8.637 -0.057 18887 957 1 2 . 1 1 63 63 PHE N N 63 109.510 109.510 126.238 -16.728 18887 958 1 2 . 1 1 63 63 PHE HA H 63 5.490 5.490 5.034 0.456 18887 959 1 2 . 1 1 63 63 PHE C C 63 173.600 173.600 174.118 -0.518 18887 960 1 2 . 1 1 63 63 PHE CA C 63 53.020 53.020 56.029 -3.009 18887 961 1 2 . 1 1 63 63 PHE CB C 63 40.150 40.150 41.393 -1.243 18887 962 1 2 . 1 1 63 63 PHE H H 63 9.320 9.320 9.037 0.283 18887 963 1 2 . 1 1 64 64 ALA N N 64 112.790 112.790 128.822 -16.032 18887 964 1 2 . 1 1 64 64 ALA HA H 64 5.430 5.430 5.586 -0.156 18887 965 1 2 . 1 1 64 64 ALA C C 64 175.040 175.040 175.815 -0.775 18887 966 1 2 . 1 1 64 64 ALA CA C 64 50.740 50.740 50.065 0.675 18887 967 1 2 . 1 1 64 64 ALA CB C 64 19.690 19.690 19.657 0.034 18887 968 1 2 . 1 1 64 64 ALA H H 64 8.840 8.840 8.717 0.123 18887 969 1 2 . 1 1 65 65 VAL N N 65 110.260 110.260 117.396 -7.136 18887 970 1 2 . 1 1 65 65 VAL HA H 65 5.690 5.690 5.170 0.520 18887 971 1 2 . 1 1 65 65 VAL C C 65 175.380 175.380 174.445 0.935 18887 972 1 2 . 1 1 65 65 VAL CA C 65 59.060 59.060 59.796 -0.736 18887 973 1 2 . 1 1 65 65 VAL CB C 65 38.800 38.800 35.565 3.235 18887 974 1 2 . 1 1 65 65 VAL H H 65 8.080 8.080 7.623 0.457 18887 975 1 2 . 1 1 66 66 ASP N N 66 119.250 119.250 122.009 -2.759 18887 976 1 2 . 1 1 66 66 ASP HA H 66 4.870 4.870 4.892 -0.022 18887 977 1 2 . 1 1 66 66 ASP C C 66 175.600 175.600 176.470 -0.870 18887 978 1 2 . 1 1 66 66 ASP CA C 66 53.780 53.780 56.347 -2.567 18887 979 1 2 . 1 1 66 66 ASP CB C 66 42.910 42.910 42.582 0.328 18887 980 1 2 . 1 1 66 66 ASP H H 66 7.760 7.760 8.904 -1.144 18887 981 1 2 . 1 1 67 67 THR N N 67 112.330 112.330 114.110 -1.780 18887 982 1 2 . 1 1 67 67 THR HA H 67 4.510 4.510 4.417 0.093 18887 983 1 2 . 1 1 67 67 THR C C 67 172.370 172.370 172.940 -0.570 18887 984 1 2 . 1 1 67 67 THR CA C 67 59.650 59.650 60.444 -0.794 18887 985 1 2 . 1 1 67 67 THR CB C 67 70.230 70.230 70.027 0.203 18887 986 1 2 . 1 1 67 67 THR H H 67 7.070 7.070 7.412 -0.342 18887 987 1 2 . 1 1 68 68 LYS N N 68 121.380 121.380 120.680 0.700 18887 988 1 2 . 1 1 68 68 LYS HA H 68 4.080 4.080 4.267 -0.187 18887 989 1 2 . 1 1 68 68 LYS C C 68 176.250 176.250 175.166 1.084 18887 990 1 2 . 1 1 68 68 LYS CA C 68 57.470 57.470 56.363 1.107 18887 991 1 2 . 1 1 68 68 LYS CB C 68 34.020 34.020 32.941 1.079 18887 992 1 2 . 1 1 68 68 LYS H H 68 7.540 7.540 8.270 -0.730 18887 993 1 2 . 1 1 69 69 VAL N N 69 125.310 125.310 119.462 5.848 18887 994 1 2 . 1 1 69 69 VAL HA H 69 3.320 3.320 4.359 -1.039 18887 995 1 2 . 1 1 69 69 VAL C C 69 175.890 175.890 176.394 -0.504 18887 996 1 2 . 1 1 69 69 VAL CA C 69 64.110 64.110 61.132 2.978 18887 997 1 2 . 1 1 69 69 VAL CB C 69 33.810 33.810 33.992 -0.182 18887 998 1 2 . 1 1 69 69 VAL H H 69 8.320 8.320 8.094 0.226 18887 999 1 2 . 1 1 70 70 ARG N N 70 111.240 111.240 127.170 -15.930 18887 1000 1 2 . 1 1 70 70 ARG HA H 70 4.160 4.160 4.056 0.104 18887 1001 1 2 . 1 1 70 70 ARG C C 70 177.030 177.030 177.650 -0.620 18887 1002 1 2 . 1 1 70 70 ARG CA C 70 57.630 57.630 59.538 -1.908 18887 1003 1 2 . 1 1 70 70 ARG CB C 70 31.440 31.440 30.780 0.660 18887 1004 1 2 . 1 1 70 70 ARG H H 70 9.580 9.580 8.422 1.158 18887 1005 1 2 . 1 1 71 71 ASN N N 71 120.660 120.660 117.462 3.198 18887 1006 1 2 . 1 1 71 71 ASN HA H 71 4.670 4.670 4.607 0.063 18887 1007 1 2 . 1 1 71 71 ASN C C 71 177.530 177.530 177.271 0.259 18887 1008 1 2 . 1 1 71 71 ASN CA C 71 54.770 54.770 55.139 -0.368 18887 1009 1 2 . 1 1 71 71 ASN CB C 71 37.130 37.130 37.603 -0.473 18887 1010 1 2 . 1 1 71 71 ASN H H 71 9.170 9.170 8.900 0.270 18887 1011 1 2 . 1 1 72 72 LYS N N 72 120.730 120.730 121.104 -0.374 18887 1012 1 2 . 1 1 72 72 LYS HA H 72 4.010 4.010 4.637 -0.627 18887 1013 1 2 . 1 1 72 72 LYS C C 72 177.790 177.790 177.957 -0.167 18887 1014 1 2 . 1 1 72 72 LYS CA C 72 59.910 59.910 58.965 0.945 18887 1015 1 2 . 1 1 72 72 LYS CB C 72 33.260 33.260 31.091 2.169 18887 1016 1 2 . 1 1 72 72 LYS H H 72 8.400 8.400 8.207 0.193 18887 1017 1 2 . 1 1 73 73 GLU N N 73 122.670 122.670 118.494 4.176 18887 1018 1 2 . 1 1 73 73 GLU HA H 73 4.160 4.160 3.900 0.260 18887 1019 1 2 . 1 1 73 73 GLU C C 73 177.620 177.620 178.776 -1.156 18887 1020 1 2 . 1 1 73 73 GLU CA C 73 60.380 60.380 58.991 1.389 18887 1021 1 2 . 1 1 73 73 GLU CB C 73 28.660 28.660 29.027 -0.367 18887 1022 1 2 . 1 1 73 73 GLU H H 73 9.960 9.960 7.918 2.042 18887 1023 1 2 . 1 1 74 74 ARG N N 74 117.370 117.370 117.784 -0.414 18887 1024 1 2 . 1 1 74 74 ARG HA H 74 3.770 3.770 4.144 -0.374 18887 1025 1 2 . 1 1 74 74 ARG C C 74 177.380 177.380 178.209 -0.829 18887 1026 1 2 . 1 1 74 74 ARG CA C 74 59.010 59.010 57.840 1.170 18887 1027 1 2 . 1 1 74 74 ARG CB C 74 32.720 32.720 29.944 2.776 18887 1028 1 2 . 1 1 74 74 ARG H H 74 6.830 6.830 7.557 -0.727 18887 1029 1 2 . 1 1 75 75 PHE N N 75 112.920 112.920 118.286 -5.366 18887 1030 1 2 . 1 1 75 75 PHE HA H 75 4.280 4.280 4.655 -0.375 18887 1031 1 2 . 1 1 75 75 PHE C C 75 174.870 174.870 177.342 -2.472 18887 1032 1 2 . 1 1 75 75 PHE CA C 75 57.370 57.370 58.532 -1.162 18887 1033 1 2 . 1 1 75 75 PHE CB C 75 39.380 39.380 38.537 0.843 18887 1034 1 2 . 1 1 75 75 PHE H H 75 7.670 7.670 7.266 0.404 18887 1035 1 2 . 1 1 76 76 ASP N N 76 121.780 121.780 121.331 0.449 18887 1036 1 2 . 1 1 76 76 ASP HA H 76 4.380 4.380 4.524 -0.144 18887 1037 1 2 . 1 1 76 76 ASP C C 76 177.380 177.380 177.560 -0.180 18887 1038 1 2 . 1 1 76 76 ASP CA C 76 57.700 57.700 56.487 1.213 18887 1039 1 2 . 1 1 76 76 ASP CB C 76 41.270 41.270 40.870 0.400 18887 1040 1 2 . 1 1 76 76 ASP H H 76 7.210 7.210 7.999 -0.789 18887 1041 1 2 . 1 1 77 77 GLY N N 77 111.910 111.910 106.504 5.406 18887 1042 1 2 . 1 1 77 77 GLY C C 77 174.310 174.310 174.265 0.045 18887 1043 1 2 . 1 1 77 77 GLY CA C 77 46.290 46.290 45.053 1.237 18887 1044 1 2 . 1 1 77 77 GLY H H 77 8.920 8.920 8.363 0.557 18887 1045 1 2 . 1 1 78 78 LYS N N 78 117.910 117.910 119.098 -1.188 18887 1046 1 2 . 1 1 78 78 LYS HA H 78 4.540 4.540 4.809 -0.269 18887 1047 1 2 . 1 1 78 78 LYS C C 78 175.910 175.910 175.137 0.773 18887 1048 1 2 . 1 1 78 78 LYS CA C 78 53.410 53.410 54.435 -1.025 18887 1049 1 2 . 1 1 78 78 LYS CB C 78 32.780 32.780 35.161 -2.381 18887 1050 1 2 . 1 1 78 78 LYS H H 78 7.700 7.700 7.665 0.035 18887 1051 1 2 . 1 1 79 79 VAL N N 79 124.500 124.500 121.942 2.558 18887 1052 1 2 . 1 1 79 79 VAL HA H 79 3.850 3.850 4.391 -0.541 18887 1053 1 2 . 1 1 79 79 VAL C C 79 174.140 174.140 174.199 -0.059 18887 1054 1 2 . 1 1 79 79 VAL CA C 79 64.810 64.810 60.941 3.869 18887 1055 1 2 . 1 1 79 79 VAL CB C 79 32.390 32.390 31.910 0.480 18887 1056 1 2 . 1 1 79 79 VAL H H 79 8.890 8.890 8.571 0.319 18887 1057 1 2 . 1 1 80 80 VAL N N 80 125.810 125.810 123.856 1.954 18887 1058 1 2 . 1 1 80 80 VAL HA H 80 4.690 4.690 5.159 -0.469 18887 1059 1 2 . 1 1 80 80 VAL C C 80 175.270 175.270 174.349 0.921 18887 1060 1 2 . 1 1 80 80 VAL CA C 80 60.670 60.670 58.898 1.772 18887 1061 1 2 . 1 1 80 80 VAL CB C 80 35.970 35.970 35.098 0.872 18887 1062 1 2 . 1 1 80 80 VAL H H 80 7.860 7.860 8.219 -0.359 18887 1063 1 2 . 1 1 81 81 LEU N N 81 110.550 110.550 124.302 -13.752 18887 1064 1 2 . 1 1 81 81 LEU HA H 81 4.490 4.490 4.792 -0.302 18887 1065 1 2 . 1 1 81 81 LEU C C 81 173.930 173.930 175.015 -1.085 18887 1066 1 2 . 1 1 81 81 LEU CA C 81 54.410 54.410 54.144 0.266 18887 1067 1 2 . 1 1 81 81 LEU CB C 81 45.100 45.100 44.095 1.005 18887 1068 1 2 . 1 1 81 81 LEU H H 81 8.790 8.790 9.041 -0.251 18887 1069 1 2 . 1 1 82 82 GLU N N 82 111.070 111.070 128.393 -17.323 18887 1070 1 2 . 1 1 82 82 GLU HA H 82 5.460 5.460 4.952 0.508 18887 1071 1 2 . 1 1 82 82 GLU C C 82 175.440 175.440 175.260 0.180 18887 1072 1 2 . 1 1 82 82 GLU CA C 82 56.010 56.010 55.635 0.375 18887 1073 1 2 . 1 1 82 82 GLU CB C 82 32.100 32.100 31.103 0.997 18887 1074 1 2 . 1 1 82 82 GLU H H 82 8.750 8.750 8.762 -0.012 18887 1075 1 2 . 1 1 83 83 VAL N N 83 119.980 119.980 120.557 -0.577 18887 1076 1 2 . 1 1 83 83 VAL HA H 83 4.950 4.950 4.725 0.225 18887 1077 1 2 . 1 1 83 83 VAL C C 83 172.120 172.120 173.335 -1.215 18887 1078 1 2 . 1 1 83 83 VAL CA C 83 58.760 58.760 58.377 0.383 18887 1079 1 2 . 1 1 83 83 VAL CB C 83 34.570 34.570 33.501 1.069 18887 1080 1 2 . 1 1 83 83 VAL H H 83 9.390 9.390 9.071 0.319 18887 1081 1 2 . 1 1 84 84 PRO HA H 84 4.740 4.740 4.510 0.230 18887 1082 1 2 . 1 1 84 84 PRO C C 84 178.300 178.300 177.926 0.374 18887 1083 1 2 . 1 1 84 84 PRO CA C 84 63.330 63.330 62.339 0.991 18887 1084 1 2 . 1 1 84 84 PRO CB C 84 33.430 33.430 32.283 1.147 18887 1085 1 2 . 1 1 85 85 VAL N N 85 122.390 122.390 122.193 0.197 18887 1086 1 2 . 1 1 85 85 VAL HA H 85 3.320 3.320 3.796 -0.476 18887 1087 1 2 . 1 1 85 85 VAL C C 85 174.190 174.190 176.673 -2.483 18887 1088 1 2 . 1 1 85 85 VAL CA C 85 66.540 66.540 64.200 2.340 18887 1089 1 2 . 1 1 85 85 VAL CB C 85 32.970 32.970 31.562 1.408 18887 1090 1 2 . 1 1 85 85 VAL H H 85 7.240 7.240 8.841 -1.601 18887 1091 1 2 . 1 1 86 86 SER N N 86 125.590 125.590 113.292 12.298 18887 1092 1 2 . 1 1 86 86 SER HA H 86 4.020 4.020 4.015 0.005 18887 1093 1 2 . 1 1 86 86 SER C C 86 176.940 176.940 175.741 1.199 18887 1094 1 2 . 1 1 86 86 SER CA C 86 60.200 60.200 60.029 0.171 18887 1095 1 2 . 1 1 86 86 SER CB C 86 64.060 64.060 62.590 1.470 18887 1096 1 2 . 1 1 86 86 SER H H 86 7.600 7.600 8.326 -0.726 18887 1097 1 2 . 1 1 87 87 ALA N N 87 125.200 125.200 124.098 1.102 18887 1098 1 2 . 1 1 87 87 ALA HA H 87 4.280 4.280 4.256 0.024 18887 1099 1 2 . 1 1 87 87 ALA C C 87 177.370 177.370 176.024 1.346 18887 1100 1 2 . 1 1 87 87 ALA CA C 87 57.600 57.600 56.275 1.325 18887 1101 1 2 . 1 1 87 87 ALA CB C 87 16.620 16.620 16.746 -0.126 18887 1102 1 2 . 1 1 87 87 ALA H H 87 7.870 7.870 7.753 0.117 18887 1103 1 2 . 1 1 88 88 PRO HA H 88 4.000 4.000 4.345 -0.345 18887 1104 1 2 . 1 1 88 88 PRO C C 88 175.090 175.090 177.587 -2.497 18887 1105 1 2 . 1 1 88 88 PRO CA C 88 65.410 65.410 64.979 0.431 18887 1106 1 2 . 1 1 88 88 PRO CB C 88 32.130 32.130 31.077 1.053 18887 1107 1 2 . 1 1 89 89 ILE N N 89 114.700 114.700 117.024 -2.324 18887 1108 1 2 . 1 1 89 89 ILE HA H 89 3.310 3.310 3.821 -0.511 18887 1109 1 2 . 1 1 89 89 ILE C C 89 177.850 177.850 176.714 1.136 18887 1110 1 2 . 1 1 89 89 ILE CA C 89 66.320 66.320 63.622 2.698 18887 1111 1 2 . 1 1 89 89 ILE CB C 89 38.790 38.790 38.081 0.709 18887 1112 1 2 . 1 1 89 89 ILE H H 89 6.300 6.300 7.168 -0.868 18887 1113 1 2 . 1 1 90 90 LYS N N 90 118.530 118.530 117.668 0.862 18887 1114 1 2 . 1 1 90 90 LYS HA H 90 4.060 4.060 4.261 -0.201 18887 1115 1 2 . 1 1 90 90 LYS C C 90 177.390 177.390 177.292 0.098 18887 1116 1 2 . 1 1 90 90 LYS CA C 90 59.710 59.710 57.658 2.052 18887 1117 1 2 . 1 1 90 90 LYS CB C 90 33.940 33.940 34.139 -0.199 18887 1118 1 2 . 1 1 90 90 LYS H H 90 7.440 7.440 7.625 -0.185 18887 1119 1 2 . 1 1 91 91 ASP N N 91 114.670 114.670 120.772 -6.102 18887 1120 1 2 . 1 1 91 91 ASP HA H 91 4.530 4.530 4.926 -0.396 18887 1121 1 2 . 1 1 91 91 ASP C C 91 174.350 174.350 175.905 -1.555 18887 1122 1 2 . 1 1 91 91 ASP CA C 91 55.120 55.120 53.983 1.137 18887 1123 1 2 . 1 1 91 91 ASP CB C 91 41.530 41.530 41.179 0.351 18887 1124 1 2 . 1 1 91 91 ASP H H 91 7.700 7.700 8.600 -0.900 18887 1125 1 2 . 1 1 92 92 ALA N N 92 111.350 111.350 123.390 -12.040 18887 1126 1 2 . 1 1 92 92 ALA HA H 92 3.830 3.830 3.953 -0.123 18887 1127 1 2 . 1 1 92 92 ALA C C 92 169.330 169.330 179.131 -9.801 18887 1128 1 2 . 1 1 92 92 ALA CA C 92 57.220 57.220 55.473 1.747 18887 1129 1 2 . 1 1 92 92 ALA CB C 92 20.700 20.700 18.446 2.254 18887 1130 1 2 . 1 1 92 92 ALA H H 92 8.860 8.860 8.395 0.465 18887 1131 1 2 . 1 1 93 93 GLU N N 93 117.860 117.860 116.787 1.073 18887 1132 1 2 . 1 1 93 93 GLU HA H 93 3.860 3.860 3.934 -0.074 18887 1133 1 2 . 1 1 93 93 GLU C C 93 177.970 177.970 178.693 -0.723 18887 1134 1 2 . 1 1 93 93 GLU CA C 93 61.240 61.240 59.548 1.692 18887 1135 1 2 . 1 1 93 93 GLU CB C 93 30.570 30.570 29.100 1.470 18887 1136 1 2 . 1 1 93 93 GLU H H 93 8.520 8.520 8.792 -0.272 18887 1137 1 2 . 1 1 94 94 LYS N N 94 119.790 119.790 120.110 -0.320 18887 1138 1 2 . 1 1 94 94 LYS HA H 94 3.930 3.930 4.167 -0.237 18887 1139 1 2 . 1 1 94 94 LYS C C 94 169.840 169.840 178.884 -9.044 18887 1140 1 2 . 1 1 94 94 LYS CA C 94 60.600 60.600 58.466 2.134 18887 1141 1 2 . 1 1 94 94 LYS CB C 94 33.550 33.550 32.172 1.378 18887 1142 1 2 . 1 1 94 94 LYS H H 94 7.670 7.670 7.363 0.307 18887 1143 1 2 . 1 1 95 95 VAL N N 95 118.850 118.850 120.486 -1.636 18887 1144 1 2 . 1 1 95 95 VAL HA H 95 3.590 3.590 3.655 -0.065 18887 1145 1 2 . 1 1 95 95 VAL C C 95 176.620 176.620 177.675 -1.055 18887 1146 1 2 . 1 1 95 95 VAL CA C 95 67.220 67.220 66.013 1.207 18887 1147 1 2 . 1 1 95 95 VAL CB C 95 32.880 32.880 31.813 1.067 18887 1148 1 2 . 1 1 95 95 VAL H H 95 7.150 7.150 8.182 -1.032 18887 1149 1 2 . 1 1 96 96 ILE N N 96 119.120 119.120 120.226 -1.106 18887 1150 1 2 . 1 1 96 96 ILE HA H 96 3.380 3.380 3.477 -0.097 18887 1151 1 2 . 1 1 96 96 ILE C C 96 177.750 177.750 177.712 0.038 18887 1152 1 2 . 1 1 96 96 ILE CA C 96 67.190 67.190 65.802 1.388 18887 1153 1 2 . 1 1 96 96 ILE CB C 96 38.440 38.440 37.515 0.925 18887 1154 1 2 . 1 1 96 96 ILE H H 96 8.380 8.380 8.270 0.110 18887 1155 1 2 . 1 1 97 97 ASN N N 97 117.000 117.000 117.918 -0.918 18887 1156 1 2 . 1 1 97 97 ASN HA H 97 4.420 4.420 4.404 0.016 18887 1157 1 2 . 1 1 97 97 ASN C C 97 178.380 178.380 177.724 0.656 18887 1158 1 2 . 1 1 97 97 ASN CA C 97 57.430 57.430 56.585 0.845 18887 1159 1 2 . 1 1 97 97 ASN CB C 97 39.030 39.030 38.503 0.527 18887 1160 1 2 . 1 1 97 97 ASN H H 97 8.730 8.730 7.915 0.815 18887 1161 1 2 . 1 1 98 98 ALA N N 98 123.790 123.790 122.386 1.404 18887 1162 1 2 . 1 1 98 98 ALA HA H 98 4.100 4.100 4.139 -0.039 18887 1163 1 2 . 1 1 98 98 ALA C C 98 169.600 169.600 179.110 -9.510 18887 1164 1 2 . 1 1 98 98 ALA CA C 98 55.890 55.890 54.771 1.119 18887 1165 1 2 . 1 1 98 98 ALA CB C 98 18.850 18.850 18.277 0.573 18887 1166 1 2 . 1 1 98 98 ALA H H 98 7.950 7.950 8.170 -0.220 18887 1167 1 2 . 1 1 99 99 ALA N N 99 122.120 122.120 121.339 0.781 18887 1168 1 2 . 1 1 99 99 ALA HA H 99 3.930 3.930 3.997 -0.067 18887 1169 1 2 . 1 1 99 99 ALA C C 99 178.700 178.700 179.908 -1.208 18887 1170 1 2 . 1 1 99 99 ALA CA C 99 55.920 55.920 54.720 1.200 18887 1171 1 2 . 1 1 99 99 ALA CB C 99 18.960 18.960 18.500 0.460 18887 1172 1 2 . 1 1 99 99 ALA H H 99 7.930 7.930 7.628 0.302 18887 1173 1 2 . 1 1 100 100 LEU N N 100 115.870 115.870 119.140 -3.270 18887 1174 1 2 . 1 1 100 100 LEU HA H 100 3.900 3.900 4.101 -0.201 18887 1175 1 2 . 1 1 100 100 LEU C C 100 169.150 169.150 178.792 -9.642 18887 1176 1 2 . 1 1 100 100 LEU CA C 100 58.140 58.140 56.842 1.298 18887 1177 1 2 . 1 1 100 100 LEU CB C 100 41.730 41.730 40.407 1.323 18887 1178 1 2 . 1 1 100 100 LEU H H 100 8.220 8.220 7.886 0.334 18887 1179 1 2 . 1 1 101 101 ALA N N 101 120.410 120.410 121.335 -0.925 18887 1180 1 2 . 1 1 101 101 ALA HA H 101 4.100 4.100 4.144 -0.044 18887 1181 1 2 . 1 1 101 101 ALA C C 101 169.730 169.730 179.389 -9.659 18887 1182 1 2 . 1 1 101 101 ALA CA C 101 55.680 55.680 54.791 0.889 18887 1183 1 2 . 1 1 101 101 ALA CB C 101 18.860 18.860 18.049 0.811 18887 1184 1 2 . 1 1 101 101 ALA H H 101 7.970 7.970 7.658 0.312 18887 1185 1 2 . 1 1 102 102 LEU N N 102 115.090 115.090 116.994 -1.904 18887 1186 1 2 . 1 1 102 102 LEU HA H 102 4.120 4.120 4.088 0.032 18887 1187 1 2 . 1 1 102 102 LEU C C 102 169.060 169.060 177.859 -8.799 18887 1188 1 2 . 1 1 102 102 LEU CA C 102 57.870 57.870 57.436 0.434 18887 1189 1 2 . 1 1 102 102 LEU CB C 102 43.730 43.730 42.134 1.596 18887 1190 1 2 . 1 1 102 102 LEU H H 102 7.330 7.330 7.596 -0.266 18887 1191 1 2 . 1 1 103 103 ILE N N 103 110.170 110.170 112.716 -2.546 18887 1192 1 2 . 1 1 103 103 ILE HA H 103 4.430 4.430 4.312 0.118 18887 1193 1 2 . 1 1 103 103 ILE C C 103 176.670 176.670 177.062 -0.392 18887 1194 1 2 . 1 1 103 103 ILE CA C 103 62.520 62.520 62.207 0.313 18887 1195 1 2 . 1 1 103 103 ILE CB C 103 40.020 40.020 39.593 0.427 18887 1196 1 2 . 1 1 103 103 ILE H H 103 7.140 7.140 7.519 -0.379 18887 1197 1 2 . 1 1 104 104 ASP N N 104 122.560 122.560 119.821 2.739 18887 1198 1 2 . 1 1 104 104 ASP HA H 104 4.650 4.650 4.674 -0.024 18887 1199 1 2 . 1 1 104 104 ASP C C 104 176.670 176.670 177.910 -1.240 18887 1200 1 2 . 1 1 104 104 ASP CA C 104 56.220 56.220 56.173 0.047 18887 1201 1 2 . 1 1 104 104 ASP CB C 104 42.080 42.080 42.065 0.015 18887 1202 1 2 . 1 1 104 104 ASP H H 104 8.000 8.000 8.378 -0.378 18887 1203 1 2 . 1 1 105 105 GLU N N 105 120.750 120.750 118.371 2.379 18887 1204 1 2 . 1 1 105 105 GLU HA H 105 4.300 4.300 4.269 0.031 18887 1205 1 2 . 1 1 105 105 GLU C C 105 175.470 175.470 176.374 -0.904 18887 1206 1 2 . 1 1 105 105 GLU CA C 105 57.640 57.640 56.586 1.054 18887 1207 1 2 . 1 1 105 105 GLU CB C 105 30.870 30.870 30.187 0.683 18887 1208 1 2 . 1 1 105 105 GLU H H 105 8.030 8.030 7.877 0.153 18887 1209 1 3 . 1 1 2 2 LYS N N 2 120.950 120.950 121.328 -0.378 18887 1210 1 3 . 1 1 2 2 LYS HA H 2 4.330 4.330 4.150 0.180 18887 1211 1 3 . 1 1 2 2 LYS C C 2 176.040 176.040 176.013 0.027 18887 1212 1 3 . 1 1 2 2 LYS CA C 2 57.850 57.850 57.234 0.616 18887 1213 1 3 . 1 1 2 2 LYS CB C 2 33.480 33.480 31.073 2.407 18887 1214 1 3 . 1 1 2 2 LYS H H 2 8.220 8.220 8.215 0.005 18887 1215 1 3 . 1 1 3 3 ARG N N 3 120.340 120.340 123.313 -2.973 18887 1216 1 3 . 1 1 3 3 ARG HA H 3 4.660 4.660 4.421 0.239 18887 1217 1 3 . 1 1 3 3 ARG C C 3 175.960 175.960 174.274 1.686 18887 1218 1 3 . 1 1 3 3 ARG CA C 3 53.810 53.810 54.573 -0.763 18887 1219 1 3 . 1 1 3 3 ARG CB C 3 29.710 29.710 33.728 -4.018 18887 1220 1 3 . 1 1 3 3 ARG H H 3 8.220 8.220 7.823 0.397 18887 1221 1 3 . 1 1 4 4 LYS N N 4 121.540 121.540 125.528 -3.988 18887 1222 1 3 . 1 1 4 4 LYS HA H 4 4.770 4.770 4.984 -0.214 18887 1223 1 3 . 1 1 4 4 LYS C C 4 174.820 174.820 175.791 -0.971 18887 1224 1 3 . 1 1 4 4 LYS CA C 4 57.230 57.230 55.840 1.390 18887 1225 1 3 . 1 1 4 4 LYS CB C 4 33.800 33.800 32.358 1.442 18887 1226 1 3 . 1 1 4 4 LYS H H 4 8.880 8.880 8.723 0.157 18887 1227 1 3 . 1 1 5 5 ILE N N 5 125.030 125.030 125.076 -0.046 18887 1228 1 3 . 1 1 5 5 ILE HA H 5 4.530 4.530 4.788 -0.258 18887 1229 1 3 . 1 1 5 5 ILE C C 5 175.420 175.420 174.552 0.868 18887 1230 1 3 . 1 1 5 5 ILE CA C 5 61.120 61.120 60.041 1.079 18887 1231 1 3 . 1 1 5 5 ILE CB C 5 41.880 41.880 41.520 0.360 18887 1232 1 3 . 1 1 5 5 ILE H H 5 8.760 8.760 8.867 -0.107 18887 1233 1 3 . 1 1 6 6 ILE N N 6 119.270 119.270 122.137 -2.867 18887 1234 1 3 . 1 1 6 6 ILE HA H 6 5.440 5.440 5.141 0.299 18887 1235 1 3 . 1 1 6 6 ILE C C 6 173.880 173.880 173.888 -0.008 18887 1236 1 3 . 1 1 6 6 ILE CA C 6 60.480 60.480 58.137 2.343 18887 1237 1 3 . 1 1 6 6 ILE CB C 6 42.120 42.120 39.413 2.707 18887 1238 1 3 . 1 1 6 6 ILE H H 6 8.110 8.110 8.177 -0.067 18887 1239 1 3 . 1 1 7 7 ALA N N 7 122.330 122.330 128.882 -6.552 18887 1240 1 3 . 1 1 7 7 ALA HA H 7 5.780 5.780 5.181 0.599 18887 1241 1 3 . 1 1 7 7 ALA C C 7 173.950 173.950 175.362 -1.412 18887 1242 1 3 . 1 1 7 7 ALA CA C 7 51.280 51.280 50.328 0.952 18887 1243 1 3 . 1 1 7 7 ALA CB C 7 25.930 25.930 22.362 3.568 18887 1244 1 3 . 1 1 7 7 ALA H H 7 8.790 8.790 8.980 -0.190 18887 1245 1 3 . 1 1 8 8 VAL N N 8 119.860 119.860 124.928 -5.068 18887 1246 1 3 . 1 1 8 8 VAL HA H 8 5.190 5.190 4.626 0.564 18887 1247 1 3 . 1 1 8 8 VAL C C 8 175.590 175.590 175.245 0.345 18887 1248 1 3 . 1 1 8 8 VAL CA C 8 61.340 61.340 60.441 0.899 18887 1249 1 3 . 1 1 8 8 VAL CB C 8 36.650 36.650 33.997 2.653 18887 1250 1 3 . 1 1 8 8 VAL H H 8 8.950 8.950 8.776 0.174 18887 1251 1 3 . 1 1 9 9 THR N N 9 116.320 116.320 118.135 -1.815 18887 1252 1 3 . 1 1 9 9 THR HA H 9 5.500 5.500 5.446 0.054 18887 1253 1 3 . 1 1 9 9 THR C C 9 172.920 172.920 173.373 -0.453 18887 1254 1 3 . 1 1 9 9 THR CA C 9 59.470 59.470 59.438 0.033 18887 1255 1 3 . 1 1 9 9 THR CB C 9 71.510 71.510 70.129 1.381 18887 1256 1 3 . 1 1 9 9 THR H H 9 8.860 8.860 9.194 -0.334 18887 1257 1 3 . 1 1 10 10 ALA N N 10 121.780 121.780 129.756 -7.976 18887 1258 1 3 . 1 1 10 10 ALA HA H 10 4.800 4.800 5.569 -0.769 18887 1259 1 3 . 1 1 10 10 ALA C C 10 174.680 174.680 175.167 -0.487 18887 1260 1 3 . 1 1 10 10 ALA CA C 10 54.300 54.300 50.990 3.310 18887 1261 1 3 . 1 1 10 10 ALA CB C 10 22.940 22.940 22.111 0.829 18887 1262 1 3 . 1 1 10 10 ALA H H 10 7.710 7.710 8.785 -1.075 18887 1263 1 3 . 1 1 11 11 CYS N N 11 121.780 121.780 123.038 -1.258 18887 1264 1 3 . 1 1 11 11 CYS HA H 11 5.160 5.160 5.089 0.071 18887 1265 1 3 . 1 1 11 11 CYS C C 11 174.700 174.700 173.359 1.341 18887 1266 1 3 . 1 1 11 11 CYS CA C 11 57.150 57.150 57.636 -0.486 18887 1267 1 3 . 1 1 11 11 CYS CB C 11 30.830 30.830 30.746 0.084 18887 1268 1 3 . 1 1 11 11 CYS H H 11 8.140 8.140 8.101 0.039 18887 1269 1 3 . 1 1 12 12 ALA N N 12 113.900 113.900 130.630 -16.730 18887 1270 1 3 . 1 1 12 12 ALA HA H 12 4.220 4.220 4.667 -0.447 18887 1271 1 3 . 1 1 12 12 ALA C C 12 168.950 168.950 177.974 -9.024 18887 1272 1 3 . 1 1 12 12 ALA CA C 12 55.270 55.270 53.273 1.997 18887 1273 1 3 . 1 1 12 12 ALA CB C 12 20.320 20.320 19.730 0.590 18887 1274 1 3 . 1 1 12 12 ALA H H 12 10.630 10.630 8.859 1.771 18887 1275 1 3 . 1 1 13 13 THR N N 13 109.490 109.490 112.447 -2.957 18887 1276 1 3 . 1 1 13 13 THR HA H 13 4.390 4.390 4.175 0.215 18887 1277 1 3 . 1 1 13 13 THR C C 13 174.870 174.870 176.278 -1.408 18887 1278 1 3 . 1 1 13 13 THR CA C 13 62.910 62.910 64.067 -1.157 18887 1279 1 3 . 1 1 13 13 THR CB C 13 70.640 70.640 69.425 1.215 18887 1280 1 3 . 1 1 13 13 THR H H 13 8.180 8.180 7.951 0.229 18887 1281 1 3 . 1 1 14 14 GLY N N 14 111.450 111.450 111.519 -0.069 18887 1282 1 3 . 1 1 14 14 GLY C C 14 173.680 173.680 174.615 -0.935 18887 1283 1 3 . 1 1 14 14 GLY CA C 14 47.050 47.050 44.468 2.582 18887 1284 1 3 . 1 1 14 14 GLY H H 14 7.880 7.880 7.624 0.256 18887 1285 1 3 . 1 1 15 15 VAL N N 15 119.530 119.530 120.801 -1.271 18887 1286 1 3 . 1 1 15 15 VAL HA H 15 4.110 4.110 3.860 0.250 18887 1287 1 3 . 1 1 15 15 VAL C C 15 176.860 176.860 177.179 -0.319 18887 1288 1 3 . 1 1 15 15 VAL CA C 15 64.740 64.740 64.828 -0.088 18887 1289 1 3 . 1 1 15 15 VAL CB C 15 33.690 33.690 31.776 1.914 18887 1290 1 3 . 1 1 15 15 VAL H H 15 8.250 8.250 8.170 0.080 18887 1291 1 3 . 1 1 16 16 ALA N N 16 123.230 123.230 121.652 1.578 18887 1292 1 3 . 1 1 16 16 ALA HA H 16 4.230 4.230 4.167 0.063 18887 1293 1 3 . 1 1 16 16 ALA C C 16 170.610 170.610 179.312 -8.702 18887 1294 1 3 . 1 1 16 16 ALA CA C 16 56.280 56.280 54.651 1.629 18887 1295 1 3 . 1 1 16 16 ALA CB C 16 19.320 19.320 18.380 0.940 18887 1296 1 3 . 1 1 16 16 ALA H H 16 8.430 8.430 8.335 0.095 18887 1297 1 3 . 1 1 17 17 HIS HA H 17 4.380 4.380 4.328 0.052 18887 1298 1 3 . 1 1 17 17 HIS C C 17 177.260 177.260 177.810 -0.550 18887 1299 1 3 . 1 1 17 17 HIS CA C 17 60.060 60.060 59.462 0.598 18887 1300 1 3 . 1 1 17 17 HIS CB C 17 31.990 31.990 29.970 2.020 18887 1301 1 3 . 1 1 18 18 THR N N 18 115.830 115.830 117.956 -2.126 18887 1302 1 3 . 1 1 18 18 THR HA H 18 3.540 3.540 3.889 -0.349 18887 1303 1 3 . 1 1 18 18 THR C C 18 176.690 176.690 176.282 0.408 18887 1304 1 3 . 1 1 18 18 THR CA C 18 67.700 67.700 67.497 0.203 18887 1305 1 3 . 1 1 18 18 THR CB C 18 69.550 69.550 68.693 0.857 18887 1306 1 3 . 1 1 18 18 THR H H 18 7.590 7.590 7.588 0.002 18887 1307 1 3 . 1 1 19 19 TYR N N 19 121.050 121.050 119.290 1.760 18887 1308 1 3 . 1 1 19 19 TYR HA H 19 4.340 4.340 4.398 -0.058 18887 1309 1 3 . 1 1 19 19 TYR C C 19 178.420 178.420 178.028 0.392 18887 1310 1 3 . 1 1 19 19 TYR CA C 19 61.220 61.220 60.429 0.791 18887 1311 1 3 . 1 1 19 19 TYR CB C 19 38.400 38.400 37.373 1.027 18887 1312 1 3 . 1 1 19 19 TYR H H 19 7.710 7.710 7.648 0.062 18887 1313 1 3 . 1 1 20 20 MET N N 20 120.220 120.220 120.224 -0.004 18887 1314 1 3 . 1 1 20 20 MET HA H 20 4.160 4.160 4.092 0.068 18887 1315 1 3 . 1 1 20 20 MET C C 20 169.550 169.550 177.843 -8.293 18887 1316 1 3 . 1 1 20 20 MET CA C 20 60.050 60.050 57.408 2.642 18887 1317 1 3 . 1 1 20 20 MET CB C 20 34.410 34.410 32.166 2.244 18887 1318 1 3 . 1 1 20 20 MET H H 20 8.470 8.470 7.733 0.737 18887 1319 1 3 . 1 1 21 21 ALA N N 21 122.280 122.280 121.032 1.248 18887 1320 1 3 . 1 1 21 21 ALA HA H 21 3.870 3.870 3.995 -0.125 18887 1321 1 3 . 1 1 21 21 ALA C C 21 178.630 178.630 179.334 -0.704 18887 1322 1 3 . 1 1 21 21 ALA CA C 21 56.760 56.760 54.958 1.802 18887 1323 1 3 . 1 1 21 21 ALA CB C 21 19.690 19.690 18.028 1.662 18887 1324 1 3 . 1 1 21 21 ALA H H 21 8.490 8.490 8.019 0.471 18887 1325 1 3 . 1 1 22 22 ALA N N 22 120.240 120.240 121.367 -1.127 18887 1326 1 3 . 1 1 22 22 ALA HA H 22 3.900 3.900 3.850 0.050 18887 1327 1 3 . 1 1 22 22 ALA C C 22 169.200 169.200 179.781 -10.581 18887 1328 1 3 . 1 1 22 22 ALA CA C 22 56.880 56.880 55.316 1.564 18887 1329 1 3 . 1 1 22 22 ALA CB C 22 19.560 19.560 18.379 1.181 18887 1330 1 3 . 1 1 22 22 ALA H H 22 7.660 7.660 8.250 -0.590 18887 1331 1 3 . 1 1 23 23 GLN N N 23 116.680 116.680 118.032 -1.352 18887 1332 1 3 . 1 1 23 23 GLN HA H 23 3.940 3.940 4.050 -0.110 18887 1333 1 3 . 1 1 23 23 GLN C C 23 178.500 178.500 178.487 0.013 18887 1334 1 3 . 1 1 23 23 GLN CA C 23 59.550 59.550 58.422 1.128 18887 1335 1 3 . 1 1 23 23 GLN CB C 23 29.660 29.660 28.889 0.771 18887 1336 1 3 . 1 1 23 23 GLN H H 23 8.430 8.430 7.741 0.689 18887 1337 1 3 . 1 1 24 24 ALA N N 24 121.760 121.760 123.640 -1.880 18887 1338 1 3 . 1 1 24 24 ALA HA H 24 4.140 4.140 4.000 0.140 18887 1339 1 3 . 1 1 24 24 ALA C C 24 171.490 171.490 179.346 -7.856 18887 1340 1 3 . 1 1 24 24 ALA CA C 24 56.060 56.060 55.339 0.721 18887 1341 1 3 . 1 1 24 24 ALA CB C 24 19.760 19.760 18.381 1.379 18887 1342 1 3 . 1 1 24 24 ALA H H 24 8.130 8.130 8.539 -0.409 18887 1343 1 3 . 1 1 25 25 LEU N N 25 118.730 118.730 118.356 0.374 18887 1344 1 3 . 1 1 25 25 LEU HA H 25 3.850 3.850 3.826 0.024 18887 1345 1 3 . 1 1 25 25 LEU C C 25 177.990 177.990 179.385 -1.395 18887 1346 1 3 . 1 1 25 25 LEU CA C 25 59.280 59.280 57.826 1.454 18887 1347 1 3 . 1 1 25 25 LEU CB C 25 43.190 43.190 41.600 1.590 18887 1348 1 3 . 1 1 25 25 LEU H H 25 8.030 8.030 8.493 -0.463 18887 1349 1 3 . 1 1 26 26 LYS N N 26 118.850 118.850 118.622 0.228 18887 1350 1 3 . 1 1 26 26 LYS HA H 26 3.840 3.840 3.940 -0.100 18887 1351 1 3 . 1 1 26 26 LYS C C 26 169.460 169.460 179.194 -9.734 18887 1352 1 3 . 1 1 26 26 LYS CA C 26 61.420 61.420 59.667 1.753 18887 1353 1 3 . 1 1 26 26 LYS CB C 26 33.440 33.440 32.257 1.183 18887 1354 1 3 . 1 1 26 26 LYS H H 26 8.000 8.000 7.640 0.360 18887 1355 1 3 . 1 1 27 27 LYS N N 27 120.350 120.350 119.322 1.028 18887 1356 1 3 . 1 1 27 27 LYS HA H 27 3.990 3.990 4.086 -0.096 18887 1357 1 3 . 1 1 27 27 LYS C C 27 169.670 169.670 179.413 -9.743 18887 1358 1 3 . 1 1 27 27 LYS CA C 27 60.700 60.700 59.185 1.515 18887 1359 1 3 . 1 1 27 27 LYS CB C 27 33.620 33.620 32.350 1.270 18887 1360 1 3 . 1 1 27 27 LYS H H 27 8.350 8.350 8.201 0.149 18887 1361 1 3 . 1 1 28 28 GLY N N 28 125.170 125.170 106.694 18.476 18887 1362 1 3 . 1 1 28 28 GLY C C 28 174.520 174.520 175.584 -1.064 18887 1363 1 3 . 1 1 28 28 GLY CA C 28 47.870 47.870 46.791 1.079 18887 1364 1 3 . 1 1 28 28 GLY H H 28 8.410 8.410 8.448 -0.038 18887 1365 1 3 . 1 1 29 29 ALA N N 29 122.370 122.370 124.806 -2.436 18887 1366 1 3 . 1 1 29 29 ALA HA H 29 3.820 3.820 3.884 -0.064 18887 1367 1 3 . 1 1 29 29 ALA C C 29 169.050 169.050 179.305 -10.255 18887 1368 1 3 . 1 1 29 29 ALA CA C 29 56.840 56.840 55.143 1.697 18887 1369 1 3 . 1 1 29 29 ALA CB C 29 18.800 18.800 18.390 0.410 18887 1370 1 3 . 1 1 29 29 ALA H H 29 8.280 8.280 7.759 0.521 18887 1371 1 3 . 1 1 30 30 LYS N N 30 117.490 117.490 117.013 0.477 18887 1372 1 3 . 1 1 30 30 LYS HA H 30 4.130 4.130 4.082 0.048 18887 1373 1 3 . 1 1 30 30 LYS C C 30 170.330 170.330 179.064 -8.734 18887 1374 1 3 . 1 1 30 30 LYS CA C 30 60.420 60.420 58.773 1.647 18887 1375 1 3 . 1 1 30 30 LYS CB C 30 33.230 33.230 32.158 1.072 18887 1376 1 3 . 1 1 30 30 LYS H H 30 7.720 7.720 7.747 -0.027 18887 1377 1 3 . 1 1 31 31 LYS N N 31 121.050 121.050 119.671 1.379 18887 1378 1 3 . 1 1 31 31 LYS HA H 31 4.020 4.020 4.103 -0.083 18887 1379 1 3 . 1 1 31 31 LYS C C 31 178.160 178.160 177.959 0.201 18887 1380 1 3 . 1 1 31 31 LYS CA C 31 60.360 60.360 58.831 1.529 18887 1381 1 3 . 1 1 31 31 LYS CB C 31 33.380 33.380 32.550 0.830 18887 1382 1 3 . 1 1 31 31 LYS H H 31 7.930 7.930 7.300 0.630 18887 1383 1 3 . 1 1 32 32 MET N N 32 114.620 114.620 114.683 -0.063 18887 1384 1 3 . 1 1 32 32 MET HA H 32 4.240 4.240 4.577 -0.337 18887 1385 1 3 . 1 1 32 32 MET C C 32 175.810 175.810 176.947 -1.137 18887 1386 1 3 . 1 1 32 32 MET CA C 32 57.400 57.400 54.740 2.660 18887 1387 1 3 . 1 1 32 32 MET CB C 32 37.710 37.710 33.388 4.322 18887 1388 1 3 . 1 1 32 32 MET H H 32 7.420 7.420 7.772 -0.352 18887 1389 1 3 . 1 1 33 33 GLY N N 33 124.900 124.900 108.704 16.196 18887 1390 1 3 . 1 1 33 33 GLY C C 33 174.340 174.340 173.318 1.022 18887 1391 1 3 . 1 1 33 33 GLY CA C 33 46.830 46.830 45.534 1.296 18887 1392 1 3 . 1 1 33 33 GLY H H 33 7.860 7.860 8.346 -0.486 18887 1393 1 3 . 1 1 34 34 ASN N N 34 116.070 116.070 116.400 -0.330 18887 1394 1 3 . 1 1 34 34 ASN HA H 34 5.210 5.210 5.366 -0.156 18887 1395 1 3 . 1 1 34 34 ASN C C 34 173.080 173.080 174.398 -1.318 18887 1396 1 3 . 1 1 34 34 ASN CA C 34 52.770 52.770 51.005 1.766 18887 1397 1 3 . 1 1 34 34 ASN CB C 34 42.880 42.880 41.408 1.472 18887 1398 1 3 . 1 1 34 34 ASN H H 34 8.160 8.160 7.985 0.175 18887 1399 1 3 . 1 1 35 35 LEU N N 35 121.450 121.450 119.989 1.461 18887 1400 1 3 . 1 1 35 35 LEU HA H 35 4.620 4.620 4.720 -0.100 18887 1401 1 3 . 1 1 35 35 LEU C C 35 174.930 174.930 175.036 -0.106 18887 1402 1 3 . 1 1 35 35 LEU CA C 35 55.150 55.150 53.883 1.266 18887 1403 1 3 . 1 1 35 35 LEU CB C 35 44.760 44.760 43.048 1.712 18887 1404 1 3 . 1 1 35 35 LEU H H 35 8.770 8.770 8.481 0.289 18887 1405 1 3 . 1 1 36 36 ILE N N 36 119.690 119.690 124.875 -5.185 18887 1406 1 3 . 1 1 36 36 ILE HA H 36 5.660 5.660 5.093 0.567 18887 1407 1 3 . 1 1 36 36 ILE C C 36 172.620 172.620 175.264 -2.644 18887 1408 1 3 . 1 1 36 36 ILE CA C 36 59.410 59.410 59.241 0.169 18887 1409 1 3 . 1 1 36 36 ILE CB C 36 44.340 44.340 40.923 3.417 18887 1410 1 3 . 1 1 36 36 ILE H H 36 8.390 8.390 8.582 -0.192 18887 1411 1 3 . 1 1 37 37 LYS N N 37 126.230 126.230 128.909 -2.679 18887 1412 1 3 . 1 1 37 37 LYS HA H 37 4.590 4.590 4.665 -0.075 18887 1413 1 3 . 1 1 37 37 LYS C C 37 174.340 174.340 174.768 -0.428 18887 1414 1 3 . 1 1 37 37 LYS CA C 37 57.050 57.050 53.821 3.229 18887 1415 1 3 . 1 1 37 37 LYS CB C 37 36.860 36.860 32.708 4.152 18887 1416 1 3 . 1 1 37 37 LYS H H 37 7.210 7.210 8.924 -1.714 18887 1417 1 3 . 1 1 38 38 VAL N N 38 124.270 124.270 125.557 -1.287 18887 1418 1 3 . 1 1 38 38 VAL HA H 38 4.920 4.920 5.047 -0.127 18887 1419 1 3 . 1 1 38 38 VAL C C 38 174.660 174.660 176.236 -1.576 18887 1420 1 3 . 1 1 38 38 VAL CA C 38 61.420 61.420 60.641 0.779 18887 1421 1 3 . 1 1 38 38 VAL CB C 38 35.020 35.020 32.152 2.868 18887 1422 1 3 . 1 1 38 38 VAL H H 38 8.760 8.760 8.645 0.115 18887 1423 1 3 . 1 1 39 39 GLU N N 39 114.800 114.800 128.072 -13.272 18887 1424 1 3 . 1 1 39 39 GLU HA H 39 5.020 5.020 4.846 0.174 18887 1425 1 3 . 1 1 39 39 GLU C C 39 175.680 175.680 175.348 0.332 18887 1426 1 3 . 1 1 39 39 GLU CA C 39 55.680 55.680 54.551 1.129 18887 1427 1 3 . 1 1 39 39 GLU CB C 39 33.940 33.940 33.090 0.850 18887 1428 1 3 . 1 1 39 39 GLU H H 39 9.210 9.210 9.155 0.055 18887 1429 1 3 . 1 1 40 40 THR N N 40 115.120 115.120 121.675 -6.555 18887 1430 1 3 . 1 1 40 40 THR HA H 40 5.180 5.180 5.399 -0.219 18887 1431 1 3 . 1 1 40 40 THR C C 40 174.200 174.200 173.218 0.982 18887 1432 1 3 . 1 1 40 40 THR CA C 40 59.710 59.710 61.352 -1.642 18887 1433 1 3 . 1 1 40 40 THR CB C 40 71.270 71.270 70.827 0.443 18887 1434 1 3 . 1 1 40 40 THR H H 40 8.500 8.500 8.495 0.005 18887 1435 1 3 . 1 1 41 41 GLN N N 41 119.850 119.850 126.199 -6.349 18887 1436 1 3 . 1 1 41 41 GLN HA H 41 4.990 4.990 5.512 -0.522 18887 1437 1 3 . 1 1 41 41 GLN C C 41 175.110 175.110 175.983 -0.873 18887 1438 1 3 . 1 1 41 41 GLN CA C 41 54.980 54.980 53.859 1.121 18887 1439 1 3 . 1 1 41 41 GLN CB C 41 29.780 29.780 33.350 -3.570 18887 1440 1 3 . 1 1 41 41 GLN H H 41 8.470 8.470 8.957 -0.487 18887 1441 1 3 . 1 1 42 42 GLY N N 42 109.530 109.530 109.906 -0.376 18887 1442 1 3 . 1 1 42 42 GLY C C 42 174.750 174.750 173.778 0.972 18887 1443 1 3 . 1 1 42 42 GLY CA C 42 45.630 45.630 46.273 -0.643 18887 1444 1 3 . 1 1 42 42 GLY H H 42 7.890 7.890 8.816 -0.926 18887 1445 1 3 . 1 1 43 43 ALA N N 43 123.850 123.850 119.577 4.273 18887 1446 1 3 . 1 1 43 43 ALA HA H 43 4.170 4.170 4.693 -0.523 18887 1447 1 3 . 1 1 43 43 ALA C C 43 169.490 169.490 177.527 -8.037 18887 1448 1 3 . 1 1 43 43 ALA CA C 43 56.170 56.170 53.576 2.594 18887 1449 1 3 . 1 1 43 43 ALA CB C 43 19.910 19.910 19.265 0.645 18887 1450 1 3 . 1 1 43 43 ALA H H 43 8.730 8.730 8.418 0.312 18887 1451 1 3 . 1 1 44 44 THR N N 44 122.380 122.380 113.359 9.021 18887 1452 1 3 . 1 1 44 44 THR HA H 44 4.390 4.390 4.410 -0.020 18887 1453 1 3 . 1 1 44 44 THR C C 44 174.260 174.260 175.135 -0.875 18887 1454 1 3 . 1 1 44 44 THR CA C 44 62.190 62.190 62.059 0.131 18887 1455 1 3 . 1 1 44 44 THR CB C 44 70.080 70.080 69.722 0.358 18887 1456 1 3 . 1 1 44 44 THR H H 44 7.950 7.950 8.018 -0.068 18887 1457 1 3 . 1 1 45 45 GLY N N 45 109.360 109.360 112.052 -2.692 18887 1458 1 3 . 1 1 45 45 GLY C C 45 172.380 172.380 172.830 -0.450 18887 1459 1 3 . 1 1 45 45 GLY CA C 45 45.510 45.510 44.573 0.937 18887 1460 1 3 . 1 1 45 45 GLY H H 45 7.560 7.560 7.885 -0.325 18887 1461 1 3 . 1 1 46 46 ILE N N 46 122.050 122.050 124.895 -2.845 18887 1462 1 3 . 1 1 46 46 ILE HA H 46 4.780 4.780 4.699 0.081 18887 1463 1 3 . 1 1 46 46 ILE C C 46 176.010 176.010 175.841 0.169 18887 1464 1 3 . 1 1 46 46 ILE CA C 46 61.950 61.950 60.620 1.331 18887 1465 1 3 . 1 1 46 46 ILE CB C 46 40.810 40.810 39.658 1.152 18887 1466 1 3 . 1 1 46 46 ILE H H 46 8.480 8.480 8.542 -0.062 18887 1467 1 3 . 1 1 47 47 GLU N N 47 109.160 109.160 127.729 -18.569 18887 1468 1 3 . 1 1 47 47 GLU HA H 47 4.660 4.660 4.281 0.379 18887 1469 1 3 . 1 1 47 47 GLU C C 47 174.750 174.750 176.324 -1.574 18887 1470 1 3 . 1 1 47 47 GLU CA C 47 55.940 55.940 57.646 -1.706 18887 1471 1 3 . 1 1 47 47 GLU CB C 47 33.640 33.640 31.066 2.574 18887 1472 1 3 . 1 1 47 47 GLU H H 47 9.000 9.000 9.179 -0.179 18887 1473 1 3 . 1 1 48 48 ASN N N 48 120.510 120.510 118.044 2.466 18887 1474 1 3 . 1 1 48 48 ASN HA H 48 4.230 4.230 4.892 -0.662 18887 1475 1 3 . 1 1 48 48 ASN C C 48 173.090 173.090 173.289 -0.199 18887 1476 1 3 . 1 1 48 48 ASN CA C 48 54.770 54.770 53.211 1.560 18887 1477 1 3 . 1 1 48 48 ASN CB C 48 38.800 38.800 40.020 -1.220 18887 1478 1 3 . 1 1 48 48 ASN H H 48 8.930 8.930 7.796 1.134 18887 1479 1 3 . 1 1 49 49 GLU N N 49 114.160 114.160 123.011 -8.851 18887 1480 1 3 . 1 1 49 49 GLU HA H 49 3.890 3.890 4.548 -0.658 18887 1481 1 3 . 1 1 49 49 GLU C C 49 177.780 177.780 175.915 1.865 18887 1482 1 3 . 1 1 49 49 GLU CA C 49 57.870 57.870 56.347 1.523 18887 1483 1 3 . 1 1 49 49 GLU CB C 49 31.900 31.900 29.933 1.967 18887 1484 1 3 . 1 1 49 49 GLU H H 49 7.690 7.690 8.397 -0.707 18887 1485 1 3 . 1 1 50 50 LEU N N 50 109.440 109.440 128.161 -18.721 18887 1486 1 3 . 1 1 50 50 LEU HA H 50 4.680 4.680 4.446 0.234 18887 1487 1 3 . 1 1 50 50 LEU C C 50 177.490 177.490 177.262 0.228 18887 1488 1 3 . 1 1 50 50 LEU CA C 50 55.520 55.520 54.509 1.011 18887 1489 1 3 . 1 1 50 50 LEU CB C 50 43.440 43.440 42.660 0.780 18887 1490 1 3 . 1 1 50 50 LEU H H 50 9.560 9.560 9.361 0.199 18887 1491 1 3 . 1 1 51 51 THR N N 51 117.490 117.490 112.438 5.052 18887 1492 1 3 . 1 1 51 51 THR HA H 51 4.420 4.420 4.477 -0.057 18887 1493 1 3 . 1 1 51 51 THR C C 51 175.010 175.010 175.601 -0.591 18887 1494 1 3 . 1 1 51 51 THR CA C 51 61.230 61.230 59.978 1.252 18887 1495 1 3 . 1 1 51 51 THR CB C 51 72.860 72.860 71.471 1.389 18887 1496 1 3 . 1 1 51 51 THR H H 51 9.380 9.380 8.117 1.263 18887 1497 1 3 . 1 1 52 52 GLU N N 52 120.490 120.490 122.952 -2.462 18887 1498 1 3 . 1 1 52 52 GLU HA H 52 3.860 3.860 3.775 0.085 18887 1499 1 3 . 1 1 52 52 GLU C C 52 178.660 178.660 178.290 0.370 18887 1500 1 3 . 1 1 52 52 GLU CA C 52 61.130 61.130 60.268 0.862 18887 1501 1 3 . 1 1 52 52 GLU CB C 52 30.280 30.280 29.308 0.972 18887 1502 1 3 . 1 1 52 52 GLU H H 52 8.910 8.910 9.015 -0.105 18887 1503 1 3 . 1 1 53 53 LYS N N 53 118.660 118.660 115.819 2.841 18887 1504 1 3 . 1 1 53 53 LYS HA H 53 4.020 4.020 4.051 -0.031 18887 1505 1 3 . 1 1 53 53 LYS C C 53 178.190 178.190 178.735 -0.545 18887 1506 1 3 . 1 1 53 53 LYS CA C 53 60.390 60.390 59.068 1.322 18887 1507 1 3 . 1 1 53 53 LYS CB C 53 33.210 33.210 31.770 1.440 18887 1508 1 3 . 1 1 53 53 LYS H H 53 7.890 7.890 8.217 -0.327 18887 1509 1 3 . 1 1 54 54 ASP N N 54 118.400 118.400 121.318 -2.918 18887 1510 1 3 . 1 1 54 54 ASP HA H 54 4.200 4.200 4.436 -0.236 18887 1511 1 3 . 1 1 54 54 ASP C C 54 169.070 169.070 178.697 -9.627 18887 1512 1 3 . 1 1 54 54 ASP CA C 54 58.300 58.300 57.606 0.694 18887 1513 1 3 . 1 1 54 54 ASP CB C 54 43.110 43.110 40.907 2.203 18887 1514 1 3 . 1 1 54 54 ASP H H 54 7.440 7.440 7.688 -0.248 18887 1515 1 3 . 1 1 55 55 VAL N N 55 118.420 118.420 118.154 0.266 18887 1516 1 3 . 1 1 55 55 VAL HA H 55 3.520 3.520 3.868 -0.348 18887 1517 1 3 . 1 1 55 55 VAL C C 55 176.980 176.980 177.082 -0.102 18887 1518 1 3 . 1 1 55 55 VAL CA C 55 66.950 66.950 65.216 1.734 18887 1519 1 3 . 1 1 55 55 VAL CB C 55 32.360 32.360 31.037 1.323 18887 1520 1 3 . 1 1 55 55 VAL H H 55 8.150 8.150 7.941 0.209 18887 1521 1 3 . 1 1 56 56 ASN N N 56 117.100 117.100 116.621 0.479 18887 1522 1 3 . 1 1 56 56 ASN HA H 56 4.410 4.410 4.579 -0.169 18887 1523 1 3 . 1 1 56 56 ASN C C 56 177.330 177.330 177.060 0.270 18887 1524 1 3 . 1 1 56 56 ASN CA C 56 57.170 57.170 55.664 1.506 18887 1525 1 3 . 1 1 56 56 ASN CB C 56 39.930 39.930 39.378 0.552 18887 1526 1 3 . 1 1 56 56 ASN H H 56 8.000 8.000 7.847 0.153 18887 1527 1 3 . 1 1 57 57 ILE N N 57 115.580 115.580 117.035 -1.455 18887 1528 1 3 . 1 1 57 57 ILE HA H 57 3.950 3.950 4.055 -0.105 18887 1529 1 3 . 1 1 57 57 ILE C C 57 176.980 176.980 177.042 -0.062 18887 1530 1 3 . 1 1 57 57 ILE CA C 57 63.240 63.240 62.066 1.174 18887 1531 1 3 . 1 1 57 57 ILE CB C 57 39.890 39.890 37.410 2.481 18887 1532 1 3 . 1 1 57 57 ILE H H 57 7.600 7.600 7.767 -0.167 18887 1533 1 3 . 1 1 58 58 GLY N N 58 124.080 124.080 107.717 16.363 18887 1534 1 3 . 1 1 58 58 GLY C C 58 173.190 173.190 174.200 -1.010 18887 1535 1 3 . 1 1 58 58 GLY CA C 58 47.110 47.110 44.778 2.332 18887 1536 1 3 . 1 1 58 58 GLY H H 58 7.630 7.630 7.738 -0.108 18887 1537 1 3 . 1 1 59 59 GLU N N 59 123.240 123.240 122.091 1.149 18887 1538 1 3 . 1 1 59 59 GLU HA H 59 4.240 4.240 4.374 -0.134 18887 1539 1 3 . 1 1 59 59 GLU C C 59 176.750 176.750 176.616 0.134 18887 1540 1 3 . 1 1 59 59 GLU CA C 59 59.830 59.830 58.108 1.722 18887 1541 1 3 . 1 1 59 59 GLU CB C 59 33.100 33.100 31.044 2.056 18887 1542 1 3 . 1 1 59 59 GLU H H 59 9.350 9.350 8.228 1.122 18887 1543 1 3 . 1 1 60 60 VAL N N 60 114.370 114.370 110.625 3.745 18887 1544 1 3 . 1 1 60 60 VAL HA H 60 4.410 4.410 5.036 -0.626 18887 1545 1 3 . 1 1 60 60 VAL C C 60 170.270 170.270 174.254 -3.984 18887 1546 1 3 . 1 1 60 60 VAL CA C 60 60.710 60.710 59.900 0.810 18887 1547 1 3 . 1 1 60 60 VAL CB C 60 35.150 35.150 34.846 0.304 18887 1548 1 3 . 1 1 60 60 VAL H H 60 7.640 7.640 7.313 0.327 18887 1549 1 3 . 1 1 61 61 VAL N N 61 125.780 125.780 121.840 3.940 18887 1550 1 3 . 1 1 61 61 VAL HA H 61 4.970 4.970 5.157 -0.187 18887 1551 1 3 . 1 1 61 61 VAL C C 61 174.450 174.450 175.122 -0.672 18887 1552 1 3 . 1 1 61 61 VAL CA C 61 60.260 60.260 59.478 0.782 18887 1553 1 3 . 1 1 61 61 VAL CB C 61 34.710 34.710 34.515 0.195 18887 1554 1 3 . 1 1 61 61 VAL H H 61 8.290 8.290 8.845 -0.555 18887 1555 1 3 . 1 1 62 62 ILE N N 62 124.740 124.740 125.703 -0.963 18887 1556 1 3 . 1 1 62 62 ILE HA H 62 4.820 4.820 4.719 0.101 18887 1557 1 3 . 1 1 62 62 ILE C C 62 175.020 175.020 174.154 0.866 18887 1558 1 3 . 1 1 62 62 ILE CA C 62 60.490 60.490 58.621 1.869 18887 1559 1 3 . 1 1 62 62 ILE CB C 62 42.560 42.560 39.715 2.845 18887 1560 1 3 . 1 1 62 62 ILE H H 62 8.580 8.580 8.766 -0.186 18887 1561 1 3 . 1 1 63 63 PHE N N 63 109.510 109.510 126.635 -17.125 18887 1562 1 3 . 1 1 63 63 PHE HA H 63 5.490 5.490 4.950 0.540 18887 1563 1 3 . 1 1 63 63 PHE C C 63 173.600 173.600 173.937 -0.337 18887 1564 1 3 . 1 1 63 63 PHE CA C 63 53.020 53.020 56.043 -3.023 18887 1565 1 3 . 1 1 63 63 PHE CB C 63 40.150 40.150 40.998 -0.848 18887 1566 1 3 . 1 1 63 63 PHE H H 63 9.320 9.320 8.912 0.408 18887 1567 1 3 . 1 1 64 64 ALA N N 64 112.790 112.790 129.193 -16.403 18887 1568 1 3 . 1 1 64 64 ALA HA H 64 5.430 5.430 5.538 -0.108 18887 1569 1 3 . 1 1 64 64 ALA C C 64 175.040 175.040 175.709 -0.669 18887 1570 1 3 . 1 1 64 64 ALA CA C 64 50.740 50.740 50.036 0.704 18887 1571 1 3 . 1 1 64 64 ALA CB C 64 19.690 19.690 19.592 0.098 18887 1572 1 3 . 1 1 64 64 ALA H H 64 8.840 8.840 8.979 -0.139 18887 1573 1 3 . 1 1 65 65 VAL N N 65 110.260 110.260 118.861 -8.601 18887 1574 1 3 . 1 1 65 65 VAL HA H 65 5.690 5.690 5.164 0.526 18887 1575 1 3 . 1 1 65 65 VAL C C 65 175.380 175.380 174.094 1.286 18887 1576 1 3 . 1 1 65 65 VAL CA C 65 59.060 59.060 60.062 -1.002 18887 1577 1 3 . 1 1 65 65 VAL CB C 65 38.800 38.800 35.917 2.883 18887 1578 1 3 . 1 1 65 65 VAL H H 65 8.080 8.080 7.567 0.513 18887 1579 1 3 . 1 1 66 66 ASP N N 66 119.250 119.250 121.879 -2.629 18887 1580 1 3 . 1 1 66 66 ASP HA H 66 4.870 4.870 4.901 -0.031 18887 1581 1 3 . 1 1 66 66 ASP C C 66 175.600 175.600 176.264 -0.664 18887 1582 1 3 . 1 1 66 66 ASP CA C 66 53.780 53.780 54.408 -0.628 18887 1583 1 3 . 1 1 66 66 ASP CB C 66 42.910 42.910 43.653 -0.743 18887 1584 1 3 . 1 1 66 66 ASP H H 66 7.760 7.760 9.037 -1.277 18887 1585 1 3 . 1 1 67 67 THR N N 67 112.330 112.330 113.089 -0.759 18887 1586 1 3 . 1 1 67 67 THR HA H 67 4.510 4.510 4.524 -0.014 18887 1587 1 3 . 1 1 67 67 THR C C 67 172.370 172.370 173.295 -0.925 18887 1588 1 3 . 1 1 67 67 THR CA C 67 59.650 59.650 60.072 -0.422 18887 1589 1 3 . 1 1 67 67 THR CB C 67 70.230 70.230 71.204 -0.974 18887 1590 1 3 . 1 1 67 67 THR H H 67 7.070 7.070 7.708 -0.638 18887 1591 1 3 . 1 1 68 68 LYS N N 68 121.380 121.380 120.839 0.541 18887 1592 1 3 . 1 1 68 68 LYS HA H 68 4.080 4.080 4.409 -0.329 18887 1593 1 3 . 1 1 68 68 LYS C C 68 176.250 176.250 175.379 0.871 18887 1594 1 3 . 1 1 68 68 LYS CA C 68 57.470 57.470 56.028 1.442 18887 1595 1 3 . 1 1 68 68 LYS CB C 68 34.020 34.020 33.530 0.490 18887 1596 1 3 . 1 1 68 68 LYS H H 68 7.540 7.540 8.405 -0.865 18887 1597 1 3 . 1 1 69 69 VAL N N 69 125.310 125.310 124.137 1.173 18887 1598 1 3 . 1 1 69 69 VAL HA H 69 3.320 3.320 4.469 -1.149 18887 1599 1 3 . 1 1 69 69 VAL C C 69 175.890 175.890 175.973 -0.083 18887 1600 1 3 . 1 1 69 69 VAL CA C 69 64.110 64.110 60.234 3.876 18887 1601 1 3 . 1 1 69 69 VAL CB C 69 33.810 33.810 34.900 -1.090 18887 1602 1 3 . 1 1 69 69 VAL H H 69 8.320 8.320 8.221 0.099 18887 1603 1 3 . 1 1 70 70 ARG N N 70 111.240 111.240 129.323 -18.083 18887 1604 1 3 . 1 1 70 70 ARG HA H 70 4.160 4.160 4.356 -0.196 18887 1605 1 3 . 1 1 70 70 ARG C C 70 177.030 177.030 177.564 -0.534 18887 1606 1 3 . 1 1 70 70 ARG CA C 70 57.630 57.630 58.390 -0.760 18887 1607 1 3 . 1 1 70 70 ARG CB C 70 31.440 31.440 30.574 0.866 18887 1608 1 3 . 1 1 70 70 ARG H H 70 9.580 9.580 9.430 0.150 18887 1609 1 3 . 1 1 71 71 ASN N N 71 120.660 120.660 118.252 2.408 18887 1610 1 3 . 1 1 71 71 ASN HA H 71 4.670 4.670 4.761 -0.091 18887 1611 1 3 . 1 1 71 71 ASN C C 71 177.530 177.530 176.378 1.152 18887 1612 1 3 . 1 1 71 71 ASN CA C 71 54.770 54.770 54.193 0.577 18887 1613 1 3 . 1 1 71 71 ASN CB C 71 37.130 37.130 38.407 -1.277 18887 1614 1 3 . 1 1 71 71 ASN H H 71 9.170 9.170 8.191 0.979 18887 1615 1 3 . 1 1 72 72 LYS N N 72 120.730 120.730 121.760 -1.030 18887 1616 1 3 . 1 1 72 72 LYS HA H 72 4.010 4.010 4.625 -0.615 18887 1617 1 3 . 1 1 72 72 LYS C C 72 177.790 177.790 177.876 -0.086 18887 1618 1 3 . 1 1 72 72 LYS CA C 72 59.910 59.910 59.816 0.094 18887 1619 1 3 . 1 1 72 72 LYS CB C 72 33.260 33.260 32.410 0.850 18887 1620 1 3 . 1 1 72 72 LYS H H 72 8.400 8.400 7.674 0.726 18887 1621 1 3 . 1 1 73 73 GLU N N 73 122.670 122.670 118.079 4.591 18887 1622 1 3 . 1 1 73 73 GLU HA H 73 4.160 4.160 3.975 0.185 18887 1623 1 3 . 1 1 73 73 GLU C C 73 177.620 177.620 179.177 -1.557 18887 1624 1 3 . 1 1 73 73 GLU CA C 73 60.380 60.380 59.064 1.316 18887 1625 1 3 . 1 1 73 73 GLU CB C 73 28.660 28.660 29.330 -0.670 18887 1626 1 3 . 1 1 73 73 GLU H H 73 9.960 9.960 7.811 2.149 18887 1627 1 3 . 1 1 74 74 ARG N N 74 117.370 117.370 118.061 -0.691 18887 1628 1 3 . 1 1 74 74 ARG HA H 74 3.770 3.770 3.941 -0.171 18887 1629 1 3 . 1 1 74 74 ARG C C 74 177.380 177.380 178.032 -0.652 18887 1630 1 3 . 1 1 74 74 ARG CA C 74 59.010 59.010 59.272 -0.262 18887 1631 1 3 . 1 1 74 74 ARG CB C 74 32.720 32.720 29.951 2.769 18887 1632 1 3 . 1 1 74 74 ARG H H 74 6.830 6.830 8.040 -1.210 18887 1633 1 3 . 1 1 75 75 PHE N N 75 112.920 112.920 113.509 -0.589 18887 1634 1 3 . 1 1 75 75 PHE HA H 75 4.280 4.280 4.527 -0.247 18887 1635 1 3 . 1 1 75 75 PHE C C 75 174.870 174.870 177.467 -2.597 18887 1636 1 3 . 1 1 75 75 PHE CA C 75 57.370 57.370 58.691 -1.321 18887 1637 1 3 . 1 1 75 75 PHE CB C 75 39.380 39.380 38.142 1.238 18887 1638 1 3 . 1 1 75 75 PHE H H 75 7.670 7.670 7.365 0.305 18887 1639 1 3 . 1 1 76 76 ASP N N 76 121.780 121.780 122.297 -0.517 18887 1640 1 3 . 1 1 76 76 ASP HA H 76 4.380 4.380 4.507 -0.127 18887 1641 1 3 . 1 1 76 76 ASP C C 76 177.380 177.380 177.243 0.137 18887 1642 1 3 . 1 1 76 76 ASP CA C 76 57.700 57.700 57.019 0.681 18887 1643 1 3 . 1 1 76 76 ASP CB C 76 41.270 41.270 40.780 0.490 18887 1644 1 3 . 1 1 76 76 ASP H H 76 7.210 7.210 7.666 -0.456 18887 1645 1 3 . 1 1 77 77 GLY N N 77 111.910 111.910 107.276 4.634 18887 1646 1 3 . 1 1 77 77 GLY C C 77 174.310 174.310 174.221 0.089 18887 1647 1 3 . 1 1 77 77 GLY CA C 77 46.290 46.290 45.039 1.251 18887 1648 1 3 . 1 1 77 77 GLY H H 77 8.920 8.920 8.304 0.616 18887 1649 1 3 . 1 1 78 78 LYS N N 78 117.910 117.910 119.954 -2.044 18887 1650 1 3 . 1 1 78 78 LYS HA H 78 4.540 4.540 4.649 -0.109 18887 1651 1 3 . 1 1 78 78 LYS C C 78 175.910 175.910 175.794 0.116 18887 1652 1 3 . 1 1 78 78 LYS CA C 78 53.410 53.410 54.667 -1.257 18887 1653 1 3 . 1 1 78 78 LYS CB C 78 32.780 32.780 34.933 -2.153 18887 1654 1 3 . 1 1 78 78 LYS H H 78 7.700 7.700 7.378 0.322 18887 1655 1 3 . 1 1 79 79 VAL N N 79 124.500 124.500 121.004 3.496 18887 1656 1 3 . 1 1 79 79 VAL HA H 79 3.850 3.850 4.252 -0.402 18887 1657 1 3 . 1 1 79 79 VAL C C 79 174.140 174.140 174.818 -0.678 18887 1658 1 3 . 1 1 79 79 VAL CA C 79 64.810 64.810 62.121 2.689 18887 1659 1 3 . 1 1 79 79 VAL CB C 79 32.390 32.390 31.777 0.613 18887 1660 1 3 . 1 1 79 79 VAL H H 79 8.890 8.890 8.758 0.132 18887 1661 1 3 . 1 1 80 80 VAL N N 80 125.810 125.810 123.900 1.910 18887 1662 1 3 . 1 1 80 80 VAL HA H 80 4.690 4.690 5.127 -0.437 18887 1663 1 3 . 1 1 80 80 VAL C C 80 175.270 175.270 174.516 0.754 18887 1664 1 3 . 1 1 80 80 VAL CA C 80 60.670 60.670 59.599 1.071 18887 1665 1 3 . 1 1 80 80 VAL CB C 80 35.970 35.970 35.632 0.338 18887 1666 1 3 . 1 1 80 80 VAL H H 80 7.860 7.860 8.316 -0.456 18887 1667 1 3 . 1 1 81 81 LEU N N 81 110.550 110.550 125.431 -14.881 18887 1668 1 3 . 1 1 81 81 LEU HA H 81 4.490 4.490 4.796 -0.306 18887 1669 1 3 . 1 1 81 81 LEU C C 81 173.930 173.930 175.145 -1.215 18887 1670 1 3 . 1 1 81 81 LEU CA C 81 54.410 54.410 53.939 0.471 18887 1671 1 3 . 1 1 81 81 LEU CB C 81 45.100 45.100 43.155 1.945 18887 1672 1 3 . 1 1 81 81 LEU H H 81 8.790 8.790 9.201 -0.411 18887 1673 1 3 . 1 1 82 82 GLU N N 82 111.070 111.070 128.345 -17.275 18887 1674 1 3 . 1 1 82 82 GLU HA H 82 5.460 5.460 5.052 0.408 18887 1675 1 3 . 1 1 82 82 GLU C C 82 175.440 175.440 175.315 0.125 18887 1676 1 3 . 1 1 82 82 GLU CA C 82 56.010 56.010 55.586 0.424 18887 1677 1 3 . 1 1 82 82 GLU CB C 82 32.100 32.100 31.256 0.844 18887 1678 1 3 . 1 1 82 82 GLU H H 82 8.750 8.750 8.798 -0.048 18887 1679 1 3 . 1 1 83 83 VAL N N 83 119.980 119.980 120.476 -0.496 18887 1680 1 3 . 1 1 83 83 VAL HA H 83 4.950 4.950 4.731 0.218 18887 1681 1 3 . 1 1 83 83 VAL C C 83 172.120 172.120 173.290 -1.170 18887 1682 1 3 . 1 1 83 83 VAL CA C 83 58.760 58.760 58.413 0.347 18887 1683 1 3 . 1 1 83 83 VAL CB C 83 34.570 34.570 33.412 1.158 18887 1684 1 3 . 1 1 83 83 VAL H H 83 9.390 9.390 9.133 0.257 18887 1685 1 3 . 1 1 84 84 PRO HA H 84 4.740 4.740 4.475 0.265 18887 1686 1 3 . 1 1 84 84 PRO C C 84 178.300 178.300 177.996 0.304 18887 1687 1 3 . 1 1 84 84 PRO CA C 84 63.330 63.330 62.679 0.651 18887 1688 1 3 . 1 1 84 84 PRO CB C 84 33.430 33.430 32.174 1.256 18887 1689 1 3 . 1 1 85 85 VAL N N 85 122.390 122.390 121.933 0.457 18887 1690 1 3 . 1 1 85 85 VAL HA H 85 3.320 3.320 3.777 -0.457 18887 1691 1 3 . 1 1 85 85 VAL C C 85 174.190 174.190 176.393 -2.203 18887 1692 1 3 . 1 1 85 85 VAL CA C 85 66.540 66.540 64.459 2.081 18887 1693 1 3 . 1 1 85 85 VAL CB C 85 32.970 32.970 31.924 1.046 18887 1694 1 3 . 1 1 85 85 VAL H H 85 7.240 7.240 8.671 -1.431 18887 1695 1 3 . 1 1 86 86 SER N N 86 125.590 125.590 114.086 11.504 18887 1696 1 3 . 1 1 86 86 SER HA H 86 4.020 4.020 4.357 -0.337 18887 1697 1 3 . 1 1 86 86 SER C C 86 176.940 176.940 175.813 1.127 18887 1698 1 3 . 1 1 86 86 SER CA C 86 60.200 60.200 61.019 -0.819 18887 1699 1 3 . 1 1 86 86 SER CB C 86 64.060 64.060 63.173 0.887 18887 1700 1 3 . 1 1 86 86 SER H H 86 7.600 7.600 8.104 -0.504 18887 1701 1 3 . 1 1 87 87 ALA N N 87 125.200 125.200 125.288 -0.088 18887 1702 1 3 . 1 1 87 87 ALA HA H 87 4.280 4.280 4.213 0.067 18887 1703 1 3 . 1 1 87 87 ALA C C 87 177.370 177.370 175.903 1.467 18887 1704 1 3 . 1 1 87 87 ALA CA C 87 57.600 57.600 56.352 1.248 18887 1705 1 3 . 1 1 87 87 ALA CB C 87 16.620 16.620 16.430 0.190 18887 1706 1 3 . 1 1 87 87 ALA H H 87 7.870 7.870 7.715 0.155 18887 1707 1 3 . 1 1 88 88 PRO HA H 88 4.000 4.000 4.363 -0.363 18887 1708 1 3 . 1 1 88 88 PRO C C 88 175.090 175.090 176.726 -1.636 18887 1709 1 3 . 1 1 88 88 PRO CA C 88 65.410 65.410 64.104 1.306 18887 1710 1 3 . 1 1 88 88 PRO CB C 88 32.130 32.130 31.010 1.120 18887 1711 1 3 . 1 1 89 89 ILE N N 89 114.700 114.700 117.834 -3.134 18887 1712 1 3 . 1 1 89 89 ILE HA H 89 3.310 3.310 3.804 -0.494 18887 1713 1 3 . 1 1 89 89 ILE C C 89 177.850 177.850 177.498 0.352 18887 1714 1 3 . 1 1 89 89 ILE CA C 89 66.320 66.320 64.205 2.115 18887 1715 1 3 . 1 1 89 89 ILE CB C 89 38.790 38.790 38.002 0.788 18887 1716 1 3 . 1 1 89 89 ILE H H 89 6.300 6.300 7.430 -1.130 18887 1717 1 3 . 1 1 90 90 LYS N N 90 118.530 118.530 117.510 1.020 18887 1718 1 3 . 1 1 90 90 LYS HA H 90 4.060 4.060 4.370 -0.310 18887 1719 1 3 . 1 1 90 90 LYS C C 90 177.390 177.390 177.313 0.077 18887 1720 1 3 . 1 1 90 90 LYS CA C 90 59.710 59.710 57.753 1.957 18887 1721 1 3 . 1 1 90 90 LYS CB C 90 33.940 33.940 33.627 0.313 18887 1722 1 3 . 1 1 90 90 LYS H H 90 7.440 7.440 7.634 -0.194 18887 1723 1 3 . 1 1 91 91 ASP N N 91 114.670 114.670 120.657 -5.987 18887 1724 1 3 . 1 1 91 91 ASP HA H 91 4.530 4.530 4.897 -0.367 18887 1725 1 3 . 1 1 91 91 ASP C C 91 174.350 174.350 176.011 -1.661 18887 1726 1 3 . 1 1 91 91 ASP CA C 91 55.120 55.120 53.966 1.154 18887 1727 1 3 . 1 1 91 91 ASP CB C 91 41.530 41.530 40.986 0.544 18887 1728 1 3 . 1 1 91 91 ASP H H 91 7.700 7.700 7.719 -0.019 18887 1729 1 3 . 1 1 92 92 ALA N N 92 111.350 111.350 122.958 -11.608 18887 1730 1 3 . 1 1 92 92 ALA HA H 92 3.830 3.830 3.997 -0.167 18887 1731 1 3 . 1 1 92 92 ALA C C 92 169.330 169.330 179.213 -9.883 18887 1732 1 3 . 1 1 92 92 ALA CA C 92 57.220 57.220 55.489 1.731 18887 1733 1 3 . 1 1 92 92 ALA CB C 92 20.700 20.700 18.856 1.844 18887 1734 1 3 . 1 1 92 92 ALA H H 92 8.860 8.860 7.648 1.212 18887 1735 1 3 . 1 1 93 93 GLU N N 93 117.860 117.860 118.321 -0.461 18887 1736 1 3 . 1 1 93 93 GLU HA H 93 3.860 3.860 3.991 -0.131 18887 1737 1 3 . 1 1 93 93 GLU C C 93 177.970 177.970 178.675 -0.705 18887 1738 1 3 . 1 1 93 93 GLU CA C 93 61.240 61.240 59.986 1.254 18887 1739 1 3 . 1 1 93 93 GLU CB C 93 30.570 30.570 28.759 1.811 18887 1740 1 3 . 1 1 93 93 GLU H H 93 8.520 8.520 8.870 -0.350 18887 1741 1 3 . 1 1 94 94 LYS N N 94 119.790 119.790 118.547 1.243 18887 1742 1 3 . 1 1 94 94 LYS HA H 94 3.930 3.930 4.067 -0.137 18887 1743 1 3 . 1 1 94 94 LYS C C 94 169.840 169.840 178.390 -8.550 18887 1744 1 3 . 1 1 94 94 LYS CA C 94 60.600 60.600 58.771 1.829 18887 1745 1 3 . 1 1 94 94 LYS CB C 94 33.550 33.550 31.627 1.923 18887 1746 1 3 . 1 1 94 94 LYS H H 94 7.670 7.670 7.723 -0.053 18887 1747 1 3 . 1 1 95 95 VAL N N 95 118.850 118.850 121.285 -2.435 18887 1748 1 3 . 1 1 95 95 VAL HA H 95 3.590 3.590 3.774 -0.184 18887 1749 1 3 . 1 1 95 95 VAL C C 95 176.620 176.620 177.849 -1.229 18887 1750 1 3 . 1 1 95 95 VAL CA C 95 67.220 67.220 65.559 1.661 18887 1751 1 3 . 1 1 95 95 VAL CB C 95 32.880 32.880 31.427 1.453 18887 1752 1 3 . 1 1 95 95 VAL H H 95 7.150 7.150 8.379 -1.229 18887 1753 1 3 . 1 1 96 96 ILE N N 96 119.120 119.120 120.509 -1.389 18887 1754 1 3 . 1 1 96 96 ILE HA H 96 3.380 3.380 3.525 -0.145 18887 1755 1 3 . 1 1 96 96 ILE C C 96 177.750 177.750 177.768 -0.018 18887 1756 1 3 . 1 1 96 96 ILE CA C 96 67.190 67.190 65.778 1.412 18887 1757 1 3 . 1 1 96 96 ILE CB C 96 38.440 38.440 37.358 1.082 18887 1758 1 3 . 1 1 96 96 ILE H H 96 8.380 8.380 7.948 0.432 18887 1759 1 3 . 1 1 97 97 ASN N N 97 117.000 117.000 118.421 -1.421 18887 1760 1 3 . 1 1 97 97 ASN HA H 97 4.420 4.420 4.403 0.017 18887 1761 1 3 . 1 1 97 97 ASN C C 97 178.380 178.380 177.702 0.678 18887 1762 1 3 . 1 1 97 97 ASN CA C 97 57.430 57.430 56.752 0.678 18887 1763 1 3 . 1 1 97 97 ASN CB C 97 39.030 39.030 38.425 0.605 18887 1764 1 3 . 1 1 97 97 ASN H H 97 8.730 8.730 7.934 0.796 18887 1765 1 3 . 1 1 98 98 ALA N N 98 123.790 123.790 122.480 1.310 18887 1766 1 3 . 1 1 98 98 ALA HA H 98 4.100 4.100 4.004 0.096 18887 1767 1 3 . 1 1 98 98 ALA C C 98 169.600 169.600 178.730 -9.130 18887 1768 1 3 . 1 1 98 98 ALA CA C 98 55.890 55.890 54.757 1.133 18887 1769 1 3 . 1 1 98 98 ALA CB C 98 18.850 18.850 18.465 0.385 18887 1770 1 3 . 1 1 98 98 ALA H H 98 7.950 7.950 8.133 -0.183 18887 1771 1 3 . 1 1 99 99 ALA N N 99 122.120 122.120 120.639 1.481 18887 1772 1 3 . 1 1 99 99 ALA HA H 99 3.930 3.930 4.037 -0.107 18887 1773 1 3 . 1 1 99 99 ALA C C 99 178.700 178.700 180.055 -1.355 18887 1774 1 3 . 1 1 99 99 ALA CA C 99 55.920 55.920 54.589 1.331 18887 1775 1 3 . 1 1 99 99 ALA CB C 99 18.960 18.960 18.797 0.163 18887 1776 1 3 . 1 1 99 99 ALA H H 99 7.930 7.930 7.601 0.329 18887 1777 1 3 . 1 1 100 100 LEU N N 100 115.870 115.870 119.491 -3.621 18887 1778 1 3 . 1 1 100 100 LEU HA H 100 3.900 3.900 3.926 -0.026 18887 1779 1 3 . 1 1 100 100 LEU C C 100 169.150 169.150 178.683 -9.533 18887 1780 1 3 . 1 1 100 100 LEU CA C 100 58.140 58.140 57.453 0.687 18887 1781 1 3 . 1 1 100 100 LEU CB C 100 41.730 41.730 41.364 0.366 18887 1782 1 3 . 1 1 100 100 LEU H H 100 8.220 8.220 8.599 -0.379 18887 1783 1 3 . 1 1 101 101 ALA N N 101 120.410 120.410 122.062 -1.652 18887 1784 1 3 . 1 1 101 101 ALA HA H 101 4.100 4.100 4.205 -0.105 18887 1785 1 3 . 1 1 101 101 ALA C C 101 169.730 169.730 178.954 -9.224 18887 1786 1 3 . 1 1 101 101 ALA CA C 101 55.680 55.680 54.822 0.858 18887 1787 1 3 . 1 1 101 101 ALA CB C 101 18.860 18.860 18.477 0.383 18887 1788 1 3 . 1 1 101 101 ALA H H 101 7.970 7.970 7.891 0.079 18887 1789 1 3 . 1 1 102 102 LEU N N 102 115.090 115.090 118.295 -3.205 18887 1790 1 3 . 1 1 102 102 LEU HA H 102 4.120 4.120 4.225 -0.105 18887 1791 1 3 . 1 1 102 102 LEU C C 102 169.060 169.060 178.126 -9.066 18887 1792 1 3 . 1 1 102 102 LEU CA C 102 57.870 57.870 56.674 1.196 18887 1793 1 3 . 1 1 102 102 LEU CB C 102 43.730 43.730 42.094 1.636 18887 1794 1 3 . 1 1 102 102 LEU H H 102 7.330 7.330 7.935 -0.605 18887 1795 1 3 . 1 1 103 103 ILE N N 103 110.170 110.170 113.266 -3.096 18887 1796 1 3 . 1 1 103 103 ILE HA H 103 4.430 4.430 4.290 0.140 18887 1797 1 3 . 1 1 103 103 ILE C C 103 176.670 176.670 176.761 -0.091 18887 1798 1 3 . 1 1 103 103 ILE CA C 103 62.520 62.520 62.160 0.360 18887 1799 1 3 . 1 1 103 103 ILE CB C 103 40.020 40.020 39.994 0.026 18887 1800 1 3 . 1 1 103 103 ILE H H 103 7.140 7.140 7.607 -0.467 18887 1801 1 3 . 1 1 104 104 ASP N N 104 122.560 122.560 119.440 3.120 18887 1802 1 3 . 1 1 104 104 ASP HA H 104 4.650 4.650 4.694 -0.044 18887 1803 1 3 . 1 1 104 104 ASP C C 104 176.670 176.670 175.861 0.809 18887 1804 1 3 . 1 1 104 104 ASP CA C 104 56.220 56.220 54.234 1.986 18887 1805 1 3 . 1 1 104 104 ASP CB C 104 42.080 42.080 43.517 -1.437 18887 1806 1 3 . 1 1 104 104 ASP H H 104 8.000 8.000 8.313 -0.313 18887 1807 1 3 . 1 1 105 105 GLU N N 105 120.750 120.750 119.366 1.384 18887 1808 1 3 . 1 1 105 105 GLU HA H 105 4.300 4.300 3.917 0.383 18887 1809 1 3 . 1 1 105 105 GLU C C 105 175.470 175.470 174.904 0.566 18887 1810 1 3 . 1 1 105 105 GLU CA C 105 57.640 57.640 57.834 -0.194 18887 1811 1 3 . 1 1 105 105 GLU CB C 105 30.870 30.870 28.068 2.802 18887 1812 1 3 . 1 1 105 105 GLU H H 105 8.030 8.030 8.050 -0.020 18887 1813 1 4 . 1 1 2 2 LYS N N 2 120.950 120.950 123.849 -2.899 18887 1814 1 4 . 1 1 2 2 LYS HA H 2 4.330 4.330 4.808 -0.478 18887 1815 1 4 . 1 1 2 2 LYS C C 2 176.040 176.040 175.471 0.569 18887 1816 1 4 . 1 1 2 2 LYS CA C 2 57.850 57.850 55.356 2.494 18887 1817 1 4 . 1 1 2 2 LYS CB C 2 33.480 33.480 32.649 0.831 18887 1818 1 4 . 1 1 2 2 LYS H H 2 8.220 8.220 8.184 0.036 18887 1819 1 4 . 1 1 3 3 ARG N N 3 120.340 120.340 126.379 -6.039 18887 1820 1 4 . 1 1 3 3 ARG HA H 3 4.660 4.660 4.189 0.471 18887 1821 1 4 . 1 1 3 3 ARG C C 3 175.960 175.960 175.865 0.095 18887 1822 1 4 . 1 1 3 3 ARG CA C 3 53.810 53.810 55.985 -2.175 18887 1823 1 4 . 1 1 3 3 ARG CB C 3 29.710 29.710 30.915 -1.205 18887 1824 1 4 . 1 1 3 3 ARG H H 3 8.220 8.220 8.417 -0.197 18887 1825 1 4 . 1 1 4 4 LYS N N 4 121.540 121.540 127.488 -5.948 18887 1826 1 4 . 1 1 4 4 LYS HA H 4 4.770 4.770 4.534 0.236 18887 1827 1 4 . 1 1 4 4 LYS C C 4 174.820 174.820 175.975 -1.155 18887 1828 1 4 . 1 1 4 4 LYS CA C 4 57.230 57.230 55.401 1.829 18887 1829 1 4 . 1 1 4 4 LYS CB C 4 33.800 33.800 31.290 2.510 18887 1830 1 4 . 1 1 4 4 LYS H H 4 8.880 8.880 8.116 0.764 18887 1831 1 4 . 1 1 5 5 ILE N N 5 125.030 125.030 127.096 -2.066 18887 1832 1 4 . 1 1 5 5 ILE HA H 5 4.530 4.530 4.821 -0.291 18887 1833 1 4 . 1 1 5 5 ILE C C 5 175.420 175.420 174.605 0.815 18887 1834 1 4 . 1 1 5 5 ILE CA C 5 61.120 61.120 60.121 0.999 18887 1835 1 4 . 1 1 5 5 ILE CB C 5 41.880 41.880 40.845 1.035 18887 1836 1 4 . 1 1 5 5 ILE H H 5 8.760 8.760 9.185 -0.425 18887 1837 1 4 . 1 1 6 6 ILE N N 6 119.270 119.270 122.944 -3.674 18887 1838 1 4 . 1 1 6 6 ILE HA H 6 5.440 5.440 5.120 0.320 18887 1839 1 4 . 1 1 6 6 ILE C C 6 173.880 173.880 173.561 0.319 18887 1840 1 4 . 1 1 6 6 ILE CA C 6 60.480 60.480 58.149 2.331 18887 1841 1 4 . 1 1 6 6 ILE CB C 6 42.120 42.120 39.269 2.851 18887 1842 1 4 . 1 1 6 6 ILE H H 6 8.110 8.110 8.495 -0.385 18887 1843 1 4 . 1 1 7 7 ALA N N 7 122.330 122.330 129.294 -6.964 18887 1844 1 4 . 1 1 7 7 ALA HA H 7 5.780 5.780 4.992 0.788 18887 1845 1 4 . 1 1 7 7 ALA C C 7 173.950 173.950 175.285 -1.335 18887 1846 1 4 . 1 1 7 7 ALA CA C 7 51.280 51.280 49.977 1.303 18887 1847 1 4 . 1 1 7 7 ALA CB C 7 25.930 25.930 22.927 3.003 18887 1848 1 4 . 1 1 7 7 ALA H H 7 8.790 8.790 9.072 -0.282 18887 1849 1 4 . 1 1 8 8 VAL N N 8 119.860 119.860 123.219 -3.359 18887 1850 1 4 . 1 1 8 8 VAL HA H 8 5.190 5.190 4.538 0.652 18887 1851 1 4 . 1 1 8 8 VAL C C 8 175.590 175.590 175.170 0.420 18887 1852 1 4 . 1 1 8 8 VAL CA C 8 61.340 61.340 60.524 0.816 18887 1853 1 4 . 1 1 8 8 VAL CB C 8 36.650 36.650 34.118 2.532 18887 1854 1 4 . 1 1 8 8 VAL H H 8 8.950 8.950 8.520 0.430 18887 1855 1 4 . 1 1 9 9 THR N N 9 116.320 116.320 117.620 -1.300 18887 1856 1 4 . 1 1 9 9 THR HA H 9 5.500 5.500 5.453 0.047 18887 1857 1 4 . 1 1 9 9 THR C C 9 172.920 172.920 173.288 -0.368 18887 1858 1 4 . 1 1 9 9 THR CA C 9 59.470 59.470 59.461 0.009 18887 1859 1 4 . 1 1 9 9 THR CB C 9 71.510 71.510 70.554 0.956 18887 1860 1 4 . 1 1 9 9 THR H H 9 8.860 8.860 8.971 -0.111 18887 1861 1 4 . 1 1 10 10 ALA N N 10 121.780 121.780 128.676 -6.896 18887 1862 1 4 . 1 1 10 10 ALA HA H 10 4.800 4.800 5.476 -0.676 18887 1863 1 4 . 1 1 10 10 ALA C C 10 174.680 174.680 175.140 -0.460 18887 1864 1 4 . 1 1 10 10 ALA CA C 10 54.300 54.300 51.294 3.006 18887 1865 1 4 . 1 1 10 10 ALA CB C 10 22.940 22.940 22.334 0.606 18887 1866 1 4 . 1 1 10 10 ALA H H 10 7.710 7.710 8.476 -0.766 18887 1867 1 4 . 1 1 11 11 CYS N N 11 121.780 121.780 121.858 -0.078 18887 1868 1 4 . 1 1 11 11 CYS HA H 11 5.160 5.160 4.824 0.336 18887 1869 1 4 . 1 1 11 11 CYS C C 11 174.700 174.700 173.320 1.380 18887 1870 1 4 . 1 1 11 11 CYS CA C 11 57.150 57.150 58.054 -0.904 18887 1871 1 4 . 1 1 11 11 CYS CB C 11 30.830 30.830 31.183 -0.353 18887 1872 1 4 . 1 1 11 11 CYS H H 11 8.140 8.140 8.257 -0.117 18887 1873 1 4 . 1 1 12 12 ALA N N 12 113.900 113.900 129.744 -15.844 18887 1874 1 4 . 1 1 12 12 ALA HA H 12 4.220 4.220 4.923 -0.703 18887 1875 1 4 . 1 1 12 12 ALA C C 12 168.950 168.950 177.219 -8.269 18887 1876 1 4 . 1 1 12 12 ALA CA C 12 55.270 55.270 52.420 2.850 18887 1877 1 4 . 1 1 12 12 ALA CB C 12 20.320 20.320 20.226 0.094 18887 1878 1 4 . 1 1 12 12 ALA H H 12 10.630 10.630 8.693 1.937 18887 1879 1 4 . 1 1 13 13 THR N N 13 109.490 109.490 112.178 -2.688 18887 1880 1 4 . 1 1 13 13 THR HA H 13 4.390 4.390 4.374 0.016 18887 1881 1 4 . 1 1 13 13 THR C C 13 174.870 174.870 174.691 0.179 18887 1882 1 4 . 1 1 13 13 THR CA C 13 62.910 62.910 61.426 1.484 18887 1883 1 4 . 1 1 13 13 THR CB C 13 70.640 70.640 68.580 2.060 18887 1884 1 4 . 1 1 13 13 THR H H 13 8.180 8.180 7.636 0.544 18887 1885 1 4 . 1 1 14 14 GLY N N 14 111.450 111.450 116.142 -4.692 18887 1886 1 4 . 1 1 14 14 GLY C C 14 173.680 173.680 175.106 -1.426 18887 1887 1 4 . 1 1 14 14 GLY CA C 14 47.050 47.050 45.100 1.950 18887 1888 1 4 . 1 1 14 14 GLY H H 14 7.880 7.880 8.732 -0.852 18887 1889 1 4 . 1 1 15 15 VAL N N 15 119.530 119.530 123.563 -4.033 18887 1890 1 4 . 1 1 15 15 VAL HA H 15 4.110 4.110 3.593 0.517 18887 1891 1 4 . 1 1 15 15 VAL C C 15 176.860 176.860 177.207 -0.347 18887 1892 1 4 . 1 1 15 15 VAL CA C 15 64.740 64.740 65.068 -0.328 18887 1893 1 4 . 1 1 15 15 VAL CB C 15 33.690 33.690 31.798 1.892 18887 1894 1 4 . 1 1 15 15 VAL H H 15 8.250 8.250 8.611 -0.361 18887 1895 1 4 . 1 1 16 16 ALA N N 16 123.230 123.230 120.531 2.699 18887 1896 1 4 . 1 1 16 16 ALA HA H 16 4.230 4.230 4.250 -0.020 18887 1897 1 4 . 1 1 16 16 ALA C C 16 170.610 170.610 179.372 -8.762 18887 1898 1 4 . 1 1 16 16 ALA CA C 16 56.280 56.280 54.690 1.590 18887 1899 1 4 . 1 1 16 16 ALA CB C 16 19.320 19.320 17.955 1.365 18887 1900 1 4 . 1 1 16 16 ALA H H 16 8.430 8.430 8.366 0.064 18887 1901 1 4 . 1 1 17 17 HIS HA H 17 4.380 4.380 4.189 0.191 18887 1902 1 4 . 1 1 17 17 HIS C C 17 177.260 177.260 177.896 -0.636 18887 1903 1 4 . 1 1 17 17 HIS CA C 17 60.060 60.060 59.432 0.628 18887 1904 1 4 . 1 1 17 17 HIS CB C 17 31.990 31.990 29.762 2.228 18887 1905 1 4 . 1 1 18 18 THR N N 18 115.830 115.830 115.550 0.280 18887 1906 1 4 . 1 1 18 18 THR HA H 18 3.540 3.540 4.030 -0.490 18887 1907 1 4 . 1 1 18 18 THR C C 18 176.690 176.690 175.732 0.958 18887 1908 1 4 . 1 1 18 18 THR CA C 18 67.700 67.700 66.253 1.447 18887 1909 1 4 . 1 1 18 18 THR CB C 18 69.550 69.550 68.669 0.881 18887 1910 1 4 . 1 1 18 18 THR H H 18 7.590 7.590 7.961 -0.371 18887 1911 1 4 . 1 1 19 19 TYR N N 19 121.050 121.050 120.343 0.707 18887 1912 1 4 . 1 1 19 19 TYR HA H 19 4.340 4.340 4.525 -0.185 18887 1913 1 4 . 1 1 19 19 TYR C C 19 178.420 178.420 177.576 0.844 18887 1914 1 4 . 1 1 19 19 TYR CA C 19 61.220 61.220 60.249 0.971 18887 1915 1 4 . 1 1 19 19 TYR CB C 19 38.400 38.400 37.976 0.424 18887 1916 1 4 . 1 1 19 19 TYR H H 19 7.710 7.710 7.144 0.566 18887 1917 1 4 . 1 1 20 20 MET N N 20 120.220 120.220 121.374 -1.154 18887 1918 1 4 . 1 1 20 20 MET HA H 20 4.160 4.160 4.493 -0.333 18887 1919 1 4 . 1 1 20 20 MET C C 20 169.550 169.550 178.231 -8.681 18887 1920 1 4 . 1 1 20 20 MET CA C 20 60.050 60.050 56.634 3.416 18887 1921 1 4 . 1 1 20 20 MET CB C 20 34.410 34.410 32.498 1.912 18887 1922 1 4 . 1 1 20 20 MET H H 20 8.470 8.470 8.853 -0.383 18887 1923 1 4 . 1 1 21 21 ALA N N 21 122.280 122.280 121.339 0.941 18887 1924 1 4 . 1 1 21 21 ALA HA H 21 3.870 3.870 4.005 -0.135 18887 1925 1 4 . 1 1 21 21 ALA C C 21 178.630 178.630 178.980 -0.350 18887 1926 1 4 . 1 1 21 21 ALA CA C 21 56.760 56.760 55.472 1.288 18887 1927 1 4 . 1 1 21 21 ALA CB C 21 19.690 19.690 18.104 1.586 18887 1928 1 4 . 1 1 21 21 ALA H H 21 8.490 8.490 8.696 -0.206 18887 1929 1 4 . 1 1 22 22 ALA N N 22 120.240 120.240 121.398 -1.158 18887 1930 1 4 . 1 1 22 22 ALA HA H 22 3.900 3.900 3.929 -0.029 18887 1931 1 4 . 1 1 22 22 ALA C C 22 169.200 169.200 179.734 -10.534 18887 1932 1 4 . 1 1 22 22 ALA CA C 22 56.880 56.880 55.227 1.653 18887 1933 1 4 . 1 1 22 22 ALA CB C 22 19.560 19.560 18.617 0.943 18887 1934 1 4 . 1 1 22 22 ALA H H 22 7.660 7.660 7.694 -0.034 18887 1935 1 4 . 1 1 23 23 GLN N N 23 116.680 116.680 117.775 -1.095 18887 1936 1 4 . 1 1 23 23 GLN HA H 23 3.940 3.940 4.132 -0.192 18887 1937 1 4 . 1 1 23 23 GLN C C 23 178.500 178.500 178.290 0.210 18887 1938 1 4 . 1 1 23 23 GLN CA C 23 59.550 59.550 58.296 1.254 18887 1939 1 4 . 1 1 23 23 GLN CB C 23 29.660 29.660 28.641 1.019 18887 1940 1 4 . 1 1 23 23 GLN H H 23 8.430 8.430 8.250 0.180 18887 1941 1 4 . 1 1 24 24 ALA N N 24 121.760 121.760 123.718 -1.958 18887 1942 1 4 . 1 1 24 24 ALA HA H 24 4.140 4.140 4.087 0.053 18887 1943 1 4 . 1 1 24 24 ALA C C 24 171.490 171.490 179.471 -7.981 18887 1944 1 4 . 1 1 24 24 ALA CA C 24 56.060 56.060 55.029 1.032 18887 1945 1 4 . 1 1 24 24 ALA CB C 24 19.760 19.760 18.609 1.151 18887 1946 1 4 . 1 1 24 24 ALA H H 24 8.130 8.130 8.534 -0.404 18887 1947 1 4 . 1 1 25 25 LEU N N 25 118.730 118.730 120.534 -1.804 18887 1948 1 4 . 1 1 25 25 LEU HA H 25 3.850 3.850 4.024 -0.174 18887 1949 1 4 . 1 1 25 25 LEU C C 25 177.990 177.990 178.451 -0.461 18887 1950 1 4 . 1 1 25 25 LEU CA C 25 59.280 59.280 57.858 1.422 18887 1951 1 4 . 1 1 25 25 LEU CB C 25 43.190 43.190 41.623 1.567 18887 1952 1 4 . 1 1 25 25 LEU H H 25 8.030 8.030 8.591 -0.561 18887 1953 1 4 . 1 1 26 26 LYS N N 26 118.850 118.850 119.334 -0.484 18887 1954 1 4 . 1 1 26 26 LYS HA H 26 3.840 3.840 3.890 -0.050 18887 1955 1 4 . 1 1 26 26 LYS C C 26 169.460 169.460 178.799 -9.339 18887 1956 1 4 . 1 1 26 26 LYS CA C 26 61.420 61.420 59.802 1.618 18887 1957 1 4 . 1 1 26 26 LYS CB C 26 33.440 33.440 32.176 1.264 18887 1958 1 4 . 1 1 26 26 LYS H H 26 8.000 8.000 7.923 0.077 18887 1959 1 4 . 1 1 27 27 LYS N N 27 120.350 120.350 118.753 1.597 18887 1960 1 4 . 1 1 27 27 LYS HA H 27 3.990 3.990 4.072 -0.082 18887 1961 1 4 . 1 1 27 27 LYS C C 27 169.670 169.670 179.155 -9.485 18887 1962 1 4 . 1 1 27 27 LYS CA C 27 60.700 60.700 58.801 1.899 18887 1963 1 4 . 1 1 27 27 LYS CB C 27 33.620 33.620 31.966 1.654 18887 1964 1 4 . 1 1 27 27 LYS H H 27 8.350 8.350 8.003 0.347 18887 1965 1 4 . 1 1 28 28 GLY N N 28 125.170 125.170 106.680 18.490 18887 1966 1 4 . 1 1 28 28 GLY C C 28 174.520 174.520 175.954 -1.434 18887 1967 1 4 . 1 1 28 28 GLY CA C 28 47.870 47.870 47.084 0.786 18887 1968 1 4 . 1 1 28 28 GLY H H 28 8.410 8.410 8.443 -0.033 18887 1969 1 4 . 1 1 29 29 ALA N N 29 122.370 122.370 124.593 -2.223 18887 1970 1 4 . 1 1 29 29 ALA HA H 29 3.820 3.820 3.952 -0.132 18887 1971 1 4 . 1 1 29 29 ALA C C 29 169.050 169.050 179.001 -9.951 18887 1972 1 4 . 1 1 29 29 ALA CA C 29 56.840 56.840 54.908 1.931 18887 1973 1 4 . 1 1 29 29 ALA CB C 29 18.800 18.800 18.312 0.488 18887 1974 1 4 . 1 1 29 29 ALA H H 29 8.280 8.280 8.195 0.085 18887 1975 1 4 . 1 1 30 30 LYS N N 30 117.490 117.490 117.914 -0.424 18887 1976 1 4 . 1 1 30 30 LYS HA H 30 4.130 4.130 4.060 0.070 18887 1977 1 4 . 1 1 30 30 LYS C C 30 170.330 170.330 178.852 -8.522 18887 1978 1 4 . 1 1 30 30 LYS CA C 30 60.420 60.420 58.531 1.889 18887 1979 1 4 . 1 1 30 30 LYS CB C 30 33.230 33.230 32.534 0.696 18887 1980 1 4 . 1 1 30 30 LYS H H 30 7.720 7.720 7.969 -0.249 18887 1981 1 4 . 1 1 31 31 LYS N N 31 121.050 121.050 119.723 1.327 18887 1982 1 4 . 1 1 31 31 LYS HA H 31 4.020 4.020 4.089 -0.069 18887 1983 1 4 . 1 1 31 31 LYS C C 31 178.160 178.160 178.307 -0.147 18887 1984 1 4 . 1 1 31 31 LYS CA C 31 60.360 60.360 58.660 1.700 18887 1985 1 4 . 1 1 31 31 LYS CB C 31 33.380 33.380 32.322 1.058 18887 1986 1 4 . 1 1 31 31 LYS H H 31 7.930 7.930 7.966 -0.036 18887 1987 1 4 . 1 1 32 32 MET N N 32 114.620 114.620 114.211 0.409 18887 1988 1 4 . 1 1 32 32 MET HA H 32 4.240 4.240 4.607 -0.367 18887 1989 1 4 . 1 1 32 32 MET C C 32 175.810 175.810 176.685 -0.875 18887 1990 1 4 . 1 1 32 32 MET CA C 32 57.400 57.400 54.430 2.970 18887 1991 1 4 . 1 1 32 32 MET CB C 32 37.710 37.710 33.323 4.387 18887 1992 1 4 . 1 1 32 32 MET H H 32 7.420 7.420 7.664 -0.244 18887 1993 1 4 . 1 1 33 33 GLY N N 33 124.900 124.900 108.473 16.427 18887 1994 1 4 . 1 1 33 33 GLY C C 33 174.340 174.340 173.314 1.026 18887 1995 1 4 . 1 1 33 33 GLY CA C 33 46.830 46.830 45.296 1.534 18887 1996 1 4 . 1 1 33 33 GLY H H 33 7.860 7.860 7.992 -0.132 18887 1997 1 4 . 1 1 34 34 ASN N N 34 116.070 116.070 118.128 -2.058 18887 1998 1 4 . 1 1 34 34 ASN HA H 34 5.210 5.210 5.005 0.205 18887 1999 1 4 . 1 1 34 34 ASN C C 34 173.080 173.080 174.315 -1.235 18887 2000 1 4 . 1 1 34 34 ASN CA C 34 52.770 52.770 52.141 0.629 18887 2001 1 4 . 1 1 34 34 ASN CB C 34 42.880 42.880 42.078 0.802 18887 2002 1 4 . 1 1 34 34 ASN H H 34 8.160 8.160 8.126 0.034 18887 2003 1 4 . 1 1 35 35 LEU N N 35 121.450 121.450 121.795 -0.345 18887 2004 1 4 . 1 1 35 35 LEU HA H 35 4.620 4.620 4.712 -0.092 18887 2005 1 4 . 1 1 35 35 LEU C C 35 174.930 174.930 175.040 -0.110 18887 2006 1 4 . 1 1 35 35 LEU CA C 35 55.150 55.150 53.925 1.225 18887 2007 1 4 . 1 1 35 35 LEU CB C 35 44.760 44.760 43.699 1.061 18887 2008 1 4 . 1 1 35 35 LEU H H 35 8.770 8.770 8.436 0.334 18887 2009 1 4 . 1 1 36 36 ILE N N 36 119.690 119.690 124.187 -4.497 18887 2010 1 4 . 1 1 36 36 ILE HA H 36 5.660 5.660 4.957 0.703 18887 2011 1 4 . 1 1 36 36 ILE C C 36 172.620 172.620 174.623 -2.003 18887 2012 1 4 . 1 1 36 36 ILE CA C 36 59.410 59.410 58.953 0.457 18887 2013 1 4 . 1 1 36 36 ILE CB C 36 44.340 44.340 41.578 2.761 18887 2014 1 4 . 1 1 36 36 ILE H H 36 8.390 8.390 8.596 -0.206 18887 2015 1 4 . 1 1 37 37 LYS N N 37 126.230 126.230 129.912 -3.682 18887 2016 1 4 . 1 1 37 37 LYS HA H 37 4.590 4.590 4.711 -0.121 18887 2017 1 4 . 1 1 37 37 LYS C C 37 174.340 174.340 174.145 0.195 18887 2018 1 4 . 1 1 37 37 LYS CA C 37 57.050 57.050 54.723 2.327 18887 2019 1 4 . 1 1 37 37 LYS CB C 37 36.860 36.860 33.514 3.346 18887 2020 1 4 . 1 1 37 37 LYS H H 37 7.210 7.210 8.922 -1.712 18887 2021 1 4 . 1 1 38 38 VAL N N 38 124.270 124.270 126.658 -2.388 18887 2022 1 4 . 1 1 38 38 VAL HA H 38 4.920 4.920 5.034 -0.114 18887 2023 1 4 . 1 1 38 38 VAL C C 38 174.660 174.660 175.357 -0.697 18887 2024 1 4 . 1 1 38 38 VAL CA C 38 61.420 61.420 60.183 1.237 18887 2025 1 4 . 1 1 38 38 VAL CB C 38 35.020 35.020 33.844 1.176 18887 2026 1 4 . 1 1 38 38 VAL H H 38 8.760 8.760 8.592 0.168 18887 2027 1 4 . 1 1 39 39 GLU N N 39 114.800 114.800 129.544 -14.744 18887 2028 1 4 . 1 1 39 39 GLU HA H 39 5.020 5.020 4.679 0.341 18887 2029 1 4 . 1 1 39 39 GLU C C 39 175.680 175.680 175.082 0.598 18887 2030 1 4 . 1 1 39 39 GLU CA C 39 55.680 55.680 53.818 1.862 18887 2031 1 4 . 1 1 39 39 GLU CB C 39 33.940 33.940 33.263 0.677 18887 2032 1 4 . 1 1 39 39 GLU H H 39 9.210 9.210 9.271 -0.061 18887 2033 1 4 . 1 1 40 40 THR N N 40 115.120 115.120 120.596 -5.476 18887 2034 1 4 . 1 1 40 40 THR HA H 40 5.180 5.180 4.906 0.274 18887 2035 1 4 . 1 1 40 40 THR C C 40 174.200 174.200 173.394 0.806 18887 2036 1 4 . 1 1 40 40 THR CA C 40 59.710 59.710 61.267 -1.557 18887 2037 1 4 . 1 1 40 40 THR CB C 40 71.270 71.270 69.614 1.656 18887 2038 1 4 . 1 1 40 40 THR H H 40 8.500 8.500 8.546 -0.046 18887 2039 1 4 . 1 1 41 41 GLN N N 41 119.850 119.850 127.494 -7.644 18887 2040 1 4 . 1 1 41 41 GLN HA H 41 4.990 4.990 4.826 0.164 18887 2041 1 4 . 1 1 41 41 GLN C C 41 175.110 175.110 176.825 -1.715 18887 2042 1 4 . 1 1 41 41 GLN CA C 41 54.980 54.980 54.722 0.258 18887 2043 1 4 . 1 1 41 41 GLN CB C 41 29.780 29.780 29.812 -0.032 18887 2044 1 4 . 1 1 41 41 GLN H H 41 8.470 8.470 9.005 -0.535 18887 2045 1 4 . 1 1 42 42 GLY N N 42 109.530 109.530 111.777 -2.247 18887 2046 1 4 . 1 1 42 42 GLY C C 42 174.750 174.750 173.209 1.541 18887 2047 1 4 . 1 1 42 42 GLY CA C 42 45.630 45.630 45.863 -0.233 18887 2048 1 4 . 1 1 42 42 GLY H H 42 7.890 7.890 9.006 -1.116 18887 2049 1 4 . 1 1 43 43 ALA N N 43 123.850 123.850 121.551 2.299 18887 2050 1 4 . 1 1 43 43 ALA HA H 43 4.170 4.170 4.504 -0.334 18887 2051 1 4 . 1 1 43 43 ALA C C 43 169.490 169.490 175.888 -6.398 18887 2052 1 4 . 1 1 43 43 ALA CA C 43 56.170 56.170 52.285 3.885 18887 2053 1 4 . 1 1 43 43 ALA CB C 43 19.910 19.910 18.843 1.067 18887 2054 1 4 . 1 1 43 43 ALA H H 43 8.730 8.730 7.142 1.588 18887 2055 1 4 . 1 1 44 44 THR N N 44 122.380 122.380 115.375 7.005 18887 2056 1 4 . 1 1 44 44 THR HA H 44 4.390 4.390 4.421 -0.031 18887 2057 1 4 . 1 1 44 44 THR C C 44 174.260 174.260 175.027 -0.767 18887 2058 1 4 . 1 1 44 44 THR CA C 44 62.190 62.190 63.331 -1.141 18887 2059 1 4 . 1 1 44 44 THR CB C 44 70.080 70.080 69.226 0.854 18887 2060 1 4 . 1 1 44 44 THR H H 44 7.950 7.950 8.287 -0.337 18887 2061 1 4 . 1 1 45 45 GLY N N 45 109.360 109.360 109.166 0.194 18887 2062 1 4 . 1 1 45 45 GLY C C 45 172.380 172.380 172.584 -0.204 18887 2063 1 4 . 1 1 45 45 GLY CA C 45 45.510 45.510 43.802 1.708 18887 2064 1 4 . 1 1 45 45 GLY H H 45 7.560 7.560 7.552 0.008 18887 2065 1 4 . 1 1 46 46 ILE N N 46 122.050 122.050 119.496 2.554 18887 2066 1 4 . 1 1 46 46 ILE HA H 46 4.780 4.780 4.382 0.398 18887 2067 1 4 . 1 1 46 46 ILE C C 46 176.010 176.010 175.341 0.669 18887 2068 1 4 . 1 1 46 46 ILE CA C 46 61.950 61.950 60.359 1.591 18887 2069 1 4 . 1 1 46 46 ILE CB C 46 40.810 40.810 41.306 -0.496 18887 2070 1 4 . 1 1 46 46 ILE H H 46 8.480 8.480 8.433 0.047 18887 2071 1 4 . 1 1 47 47 GLU N N 47 109.160 109.160 127.772 -18.612 18887 2072 1 4 . 1 1 47 47 GLU HA H 47 4.660 4.660 4.407 0.253 18887 2073 1 4 . 1 1 47 47 GLU C C 47 174.750 174.750 177.403 -2.653 18887 2074 1 4 . 1 1 47 47 GLU CA C 47 55.940 55.940 57.569 -1.629 18887 2075 1 4 . 1 1 47 47 GLU CB C 47 33.640 33.640 30.773 2.867 18887 2076 1 4 . 1 1 47 47 GLU H H 47 9.000 9.000 8.689 0.311 18887 2077 1 4 . 1 1 48 48 ASN N N 48 120.510 120.510 117.153 3.357 18887 2078 1 4 . 1 1 48 48 ASN HA H 48 4.230 4.230 4.676 -0.446 18887 2079 1 4 . 1 1 48 48 ASN C C 48 173.090 173.090 174.828 -1.738 18887 2080 1 4 . 1 1 48 48 ASN CA C 48 54.770 54.770 54.153 0.617 18887 2081 1 4 . 1 1 48 48 ASN CB C 48 38.800 38.800 39.919 -1.119 18887 2082 1 4 . 1 1 48 48 ASN H H 48 8.930 8.930 8.549 0.381 18887 2083 1 4 . 1 1 49 49 GLU N N 49 114.160 114.160 118.977 -4.817 18887 2084 1 4 . 1 1 49 49 GLU HA H 49 3.890 3.890 3.959 -0.069 18887 2085 1 4 . 1 1 49 49 GLU C C 49 177.780 177.780 174.921 2.859 18887 2086 1 4 . 1 1 49 49 GLU CA C 49 57.870 57.870 56.879 0.991 18887 2087 1 4 . 1 1 49 49 GLU CB C 49 31.900 31.900 28.971 2.929 18887 2088 1 4 . 1 1 49 49 GLU H H 49 7.690 7.690 8.509 -0.819 18887 2089 1 4 . 1 1 50 50 LEU N N 50 109.440 109.440 128.000 -18.560 18887 2090 1 4 . 1 1 50 50 LEU HA H 50 4.680 4.680 4.545 0.135 18887 2091 1 4 . 1 1 50 50 LEU C C 50 177.490 177.490 177.443 0.047 18887 2092 1 4 . 1 1 50 50 LEU CA C 50 55.520 55.520 54.155 1.365 18887 2093 1 4 . 1 1 50 50 LEU CB C 50 43.440 43.440 41.385 2.055 18887 2094 1 4 . 1 1 50 50 LEU H H 50 9.560 9.560 8.453 1.107 18887 2095 1 4 . 1 1 51 51 THR N N 51 117.490 117.490 115.506 1.984 18887 2096 1 4 . 1 1 51 51 THR HA H 51 4.420 4.420 4.217 0.203 18887 2097 1 4 . 1 1 51 51 THR C C 51 175.010 175.010 175.823 -0.813 18887 2098 1 4 . 1 1 51 51 THR CA C 51 61.230 61.230 62.148 -0.917 18887 2099 1 4 . 1 1 51 51 THR CB C 51 72.860 72.860 70.436 2.424 18887 2100 1 4 . 1 1 51 51 THR H H 51 9.380 9.380 8.068 1.312 18887 2101 1 4 . 1 1 52 52 GLU N N 52 120.490 120.490 124.647 -4.157 18887 2102 1 4 . 1 1 52 52 GLU HA H 52 3.860 3.860 3.864 -0.004 18887 2103 1 4 . 1 1 52 52 GLU C C 52 178.660 178.660 178.604 0.056 18887 2104 1 4 . 1 1 52 52 GLU CA C 52 61.130 61.130 60.617 0.513 18887 2105 1 4 . 1 1 52 52 GLU CB C 52 30.280 30.280 29.527 0.753 18887 2106 1 4 . 1 1 52 52 GLU H H 52 8.910 8.910 9.028 -0.118 18887 2107 1 4 . 1 1 53 53 LYS N N 53 118.660 118.660 117.696 0.964 18887 2108 1 4 . 1 1 53 53 LYS HA H 53 4.020 4.020 4.048 -0.028 18887 2109 1 4 . 1 1 53 53 LYS C C 53 178.190 178.190 178.959 -0.769 18887 2110 1 4 . 1 1 53 53 LYS CA C 53 60.390 60.390 59.387 1.003 18887 2111 1 4 . 1 1 53 53 LYS CB C 53 33.210 33.210 32.100 1.110 18887 2112 1 4 . 1 1 53 53 LYS H H 53 7.890 7.890 8.163 -0.273 18887 2113 1 4 . 1 1 54 54 ASP N N 54 118.400 118.400 120.457 -2.057 18887 2114 1 4 . 1 1 54 54 ASP HA H 54 4.200 4.200 4.446 -0.246 18887 2115 1 4 . 1 1 54 54 ASP C C 54 169.070 169.070 178.743 -9.673 18887 2116 1 4 . 1 1 54 54 ASP CA C 54 58.300 58.300 57.541 0.758 18887 2117 1 4 . 1 1 54 54 ASP CB C 54 43.110 43.110 40.762 2.348 18887 2118 1 4 . 1 1 54 54 ASP H H 54 7.440 7.440 7.787 -0.347 18887 2119 1 4 . 1 1 55 55 VAL N N 55 118.420 118.420 120.482 -2.062 18887 2120 1 4 . 1 1 55 55 VAL HA H 55 3.520 3.520 3.804 -0.284 18887 2121 1 4 . 1 1 55 55 VAL C C 55 176.980 176.980 177.491 -0.511 18887 2122 1 4 . 1 1 55 55 VAL CA C 55 66.950 66.950 66.283 0.667 18887 2123 1 4 . 1 1 55 55 VAL CB C 55 32.360 32.360 31.324 1.036 18887 2124 1 4 . 1 1 55 55 VAL H H 55 8.150 8.150 8.274 -0.124 18887 2125 1 4 . 1 1 56 56 ASN N N 56 117.100 117.100 116.844 0.256 18887 2126 1 4 . 1 1 56 56 ASN HA H 56 4.410 4.410 4.547 -0.137 18887 2127 1 4 . 1 1 56 56 ASN C C 56 177.330 177.330 177.422 -0.092 18887 2128 1 4 . 1 1 56 56 ASN CA C 56 57.170 57.170 55.793 1.377 18887 2129 1 4 . 1 1 56 56 ASN CB C 56 39.930 39.930 38.801 1.129 18887 2130 1 4 . 1 1 56 56 ASN H H 56 8.000 8.000 7.791 0.209 18887 2131 1 4 . 1 1 57 57 ILE N N 57 115.580 115.580 118.405 -2.825 18887 2132 1 4 . 1 1 57 57 ILE HA H 57 3.950 3.950 4.039 -0.089 18887 2133 1 4 . 1 1 57 57 ILE C C 57 176.980 176.980 177.089 -0.109 18887 2134 1 4 . 1 1 57 57 ILE CA C 57 63.240 63.240 62.516 0.724 18887 2135 1 4 . 1 1 57 57 ILE CB C 57 39.890 39.890 38.026 1.863 18887 2136 1 4 . 1 1 57 57 ILE H H 57 7.600 7.600 7.779 -0.179 18887 2137 1 4 . 1 1 58 58 GLY N N 58 124.080 124.080 105.957 18.123 18887 2138 1 4 . 1 1 58 58 GLY C C 58 173.190 173.190 174.067 -0.877 18887 2139 1 4 . 1 1 58 58 GLY CA C 58 47.110 47.110 44.936 2.174 18887 2140 1 4 . 1 1 58 58 GLY H H 58 7.630 7.630 8.071 -0.441 18887 2141 1 4 . 1 1 59 59 GLU N N 59 123.240 123.240 124.873 -1.633 18887 2142 1 4 . 1 1 59 59 GLU HA H 59 4.240 4.240 4.400 -0.160 18887 2143 1 4 . 1 1 59 59 GLU C C 59 176.750 176.750 176.600 0.150 18887 2144 1 4 . 1 1 59 59 GLU CA C 59 59.830 59.830 58.232 1.598 18887 2145 1 4 . 1 1 59 59 GLU CB C 59 33.100 33.100 31.199 1.901 18887 2146 1 4 . 1 1 59 59 GLU H H 59 9.350 9.350 8.889 0.461 18887 2147 1 4 . 1 1 60 60 VAL N N 60 114.370 114.370 114.759 -0.389 18887 2148 1 4 . 1 1 60 60 VAL HA H 60 4.410 4.410 4.571 -0.161 18887 2149 1 4 . 1 1 60 60 VAL C C 60 170.270 170.270 174.552 -4.282 18887 2150 1 4 . 1 1 60 60 VAL CA C 60 60.710 60.710 61.160 -0.450 18887 2151 1 4 . 1 1 60 60 VAL CB C 60 35.150 35.150 32.966 2.184 18887 2152 1 4 . 1 1 60 60 VAL H H 60 7.640 7.640 7.346 0.294 18887 2153 1 4 . 1 1 61 61 VAL N N 61 125.780 125.780 125.262 0.518 18887 2154 1 4 . 1 1 61 61 VAL HA H 61 4.970 4.970 4.907 0.063 18887 2155 1 4 . 1 1 61 61 VAL C C 61 174.450 174.450 174.908 -0.458 18887 2156 1 4 . 1 1 61 61 VAL CA C 61 60.260 60.260 60.182 0.078 18887 2157 1 4 . 1 1 61 61 VAL CB C 61 34.710 34.710 32.741 1.969 18887 2158 1 4 . 1 1 61 61 VAL H H 61 8.290 8.290 8.913 -0.623 18887 2159 1 4 . 1 1 62 62 ILE N N 62 124.740 124.740 128.319 -3.579 18887 2160 1 4 . 1 1 62 62 ILE HA H 62 4.820 4.820 4.643 0.177 18887 2161 1 4 . 1 1 62 62 ILE C C 62 175.020 175.020 174.476 0.544 18887 2162 1 4 . 1 1 62 62 ILE CA C 62 60.490 60.490 59.520 0.970 18887 2163 1 4 . 1 1 62 62 ILE CB C 62 42.560 42.560 39.207 3.353 18887 2164 1 4 . 1 1 62 62 ILE H H 62 8.580 8.580 8.412 0.168 18887 2165 1 4 . 1 1 63 63 PHE N N 63 109.510 109.510 128.146 -18.636 18887 2166 1 4 . 1 1 63 63 PHE HA H 63 5.490 5.490 5.082 0.408 18887 2167 1 4 . 1 1 63 63 PHE C C 63 173.600 173.600 174.390 -0.790 18887 2168 1 4 . 1 1 63 63 PHE CA C 63 53.020 53.020 56.008 -2.988 18887 2169 1 4 . 1 1 63 63 PHE CB C 63 40.150 40.150 40.533 -0.383 18887 2170 1 4 . 1 1 63 63 PHE H H 63 9.320 9.320 9.193 0.127 18887 2171 1 4 . 1 1 64 64 ALA N N 64 112.790 112.790 129.103 -16.313 18887 2172 1 4 . 1 1 64 64 ALA HA H 64 5.430 5.430 5.406 0.024 18887 2173 1 4 . 1 1 64 64 ALA C C 64 175.040 175.040 175.932 -0.892 18887 2174 1 4 . 1 1 64 64 ALA CA C 64 50.740 50.740 50.104 0.636 18887 2175 1 4 . 1 1 64 64 ALA CB C 64 19.690 19.690 19.294 0.396 18887 2176 1 4 . 1 1 64 64 ALA H H 64 8.840 8.840 8.554 0.286 18887 2177 1 4 . 1 1 65 65 VAL N N 65 110.260 110.260 117.495 -7.235 18887 2178 1 4 . 1 1 65 65 VAL HA H 65 5.690 5.690 5.039 0.651 18887 2179 1 4 . 1 1 65 65 VAL C C 65 175.380 175.380 174.051 1.329 18887 2180 1 4 . 1 1 65 65 VAL CA C 65 59.060 59.060 59.520 -0.460 18887 2181 1 4 . 1 1 65 65 VAL CB C 65 38.800 38.800 35.510 3.290 18887 2182 1 4 . 1 1 65 65 VAL H H 65 8.080 8.080 7.554 0.526 18887 2183 1 4 . 1 1 66 66 ASP N N 66 119.250 119.250 120.884 -1.634 18887 2184 1 4 . 1 1 66 66 ASP HA H 66 4.870 4.870 4.905 -0.035 18887 2185 1 4 . 1 1 66 66 ASP C C 66 175.600 175.600 176.349 -0.749 18887 2186 1 4 . 1 1 66 66 ASP CA C 66 53.780 53.780 54.623 -0.843 18887 2187 1 4 . 1 1 66 66 ASP CB C 66 42.910 42.910 43.589 -0.679 18887 2188 1 4 . 1 1 66 66 ASP H H 66 7.760 7.760 9.055 -1.295 18887 2189 1 4 . 1 1 67 67 THR N N 67 112.330 112.330 114.517 -2.187 18887 2190 1 4 . 1 1 67 67 THR HA H 67 4.510 4.510 4.503 0.007 18887 2191 1 4 . 1 1 67 67 THR C C 67 172.370 172.370 173.020 -0.650 18887 2192 1 4 . 1 1 67 67 THR CA C 67 59.650 59.650 60.566 -0.916 18887 2193 1 4 . 1 1 67 67 THR CB C 67 70.230 70.230 70.056 0.174 18887 2194 1 4 . 1 1 67 67 THR H H 67 7.070 7.070 7.625 -0.555 18887 2195 1 4 . 1 1 68 68 LYS N N 68 121.380 121.380 119.181 2.199 18887 2196 1 4 . 1 1 68 68 LYS HA H 68 4.080 4.080 4.551 -0.471 18887 2197 1 4 . 1 1 68 68 LYS C C 68 176.250 176.250 175.333 0.917 18887 2198 1 4 . 1 1 68 68 LYS CA C 68 57.470 57.470 55.477 1.993 18887 2199 1 4 . 1 1 68 68 LYS CB C 68 34.020 34.020 34.023 -0.003 18887 2200 1 4 . 1 1 68 68 LYS H H 68 7.540 7.540 8.352 -0.812 18887 2201 1 4 . 1 1 69 69 VAL N N 69 125.310 125.310 113.221 12.089 18887 2202 1 4 . 1 1 69 69 VAL HA H 69 3.320 3.320 4.609 -1.289 18887 2203 1 4 . 1 1 69 69 VAL C C 69 175.890 175.890 174.908 0.982 18887 2204 1 4 . 1 1 69 69 VAL CA C 69 64.110 64.110 60.511 3.599 18887 2205 1 4 . 1 1 69 69 VAL CB C 69 33.810 33.810 34.716 -0.906 18887 2206 1 4 . 1 1 69 69 VAL H H 69 8.320 8.320 7.933 0.387 18887 2207 1 4 . 1 1 70 70 ARG N N 70 111.240 111.240 122.592 -11.352 18887 2208 1 4 . 1 1 70 70 ARG HA H 70 4.160 4.160 4.399 -0.239 18887 2209 1 4 . 1 1 70 70 ARG C C 70 177.030 177.030 178.116 -1.086 18887 2210 1 4 . 1 1 70 70 ARG CA C 70 57.630 57.630 57.921 -0.291 18887 2211 1 4 . 1 1 70 70 ARG CB C 70 31.440 31.440 31.694 -0.254 18887 2212 1 4 . 1 1 70 70 ARG H H 70 9.580 9.580 9.112 0.468 18887 2213 1 4 . 1 1 71 71 ASN N N 71 120.660 120.660 119.112 1.548 18887 2214 1 4 . 1 1 71 71 ASN HA H 71 4.670 4.670 4.456 0.214 18887 2215 1 4 . 1 1 71 71 ASN C C 71 177.530 177.530 176.729 0.801 18887 2216 1 4 . 1 1 71 71 ASN CA C 71 54.770 54.770 55.714 -0.944 18887 2217 1 4 . 1 1 71 71 ASN CB C 71 37.130 37.130 38.254 -1.124 18887 2218 1 4 . 1 1 71 71 ASN H H 71 9.170 9.170 8.037 1.133 18887 2219 1 4 . 1 1 72 72 LYS N N 72 120.730 120.730 121.359 -0.629 18887 2220 1 4 . 1 1 72 72 LYS HA H 72 4.010 4.010 4.635 -0.625 18887 2221 1 4 . 1 1 72 72 LYS C C 72 177.790 177.790 179.020 -1.230 18887 2222 1 4 . 1 1 72 72 LYS CA C 72 59.910 59.910 59.007 0.903 18887 2223 1 4 . 1 1 72 72 LYS CB C 72 33.260 33.260 32.106 1.153 18887 2224 1 4 . 1 1 72 72 LYS H H 72 8.400 8.400 8.302 0.098 18887 2225 1 4 . 1 1 73 73 GLU N N 73 122.670 122.670 118.403 4.267 18887 2226 1 4 . 1 1 73 73 GLU HA H 73 4.160 4.160 4.021 0.139 18887 2227 1 4 . 1 1 73 73 GLU C C 73 177.620 177.620 179.115 -1.495 18887 2228 1 4 . 1 1 73 73 GLU CA C 73 60.380 60.380 59.145 1.235 18887 2229 1 4 . 1 1 73 73 GLU CB C 73 28.660 28.660 29.125 -0.465 18887 2230 1 4 . 1 1 73 73 GLU H H 73 9.960 9.960 7.750 2.210 18887 2231 1 4 . 1 1 74 74 ARG N N 74 117.370 117.370 116.649 0.721 18887 2232 1 4 . 1 1 74 74 ARG HA H 74 3.770 3.770 4.080 -0.310 18887 2233 1 4 . 1 1 74 74 ARG C C 74 177.380 177.380 176.706 0.674 18887 2234 1 4 . 1 1 74 74 ARG CA C 74 59.010 59.010 57.593 1.417 18887 2235 1 4 . 1 1 74 74 ARG CB C 74 32.720 32.720 29.479 3.241 18887 2236 1 4 . 1 1 74 74 ARG H H 74 6.830 6.830 7.440 -0.610 18887 2237 1 4 . 1 1 75 75 PHE N N 75 112.920 112.920 116.472 -3.552 18887 2238 1 4 . 1 1 75 75 PHE HA H 75 4.280 4.280 4.593 -0.313 18887 2239 1 4 . 1 1 75 75 PHE C C 75 174.870 174.870 175.216 -0.346 18887 2240 1 4 . 1 1 75 75 PHE CA C 75 57.370 57.370 57.529 -0.159 18887 2241 1 4 . 1 1 75 75 PHE CB C 75 39.380 39.380 38.951 0.429 18887 2242 1 4 . 1 1 75 75 PHE H H 75 7.670 7.670 7.286 0.384 18887 2243 1 4 . 1 1 76 76 ASP N N 76 121.780 121.780 120.821 0.959 18887 2244 1 4 . 1 1 76 76 ASP HA H 76 4.380 4.380 4.577 -0.197 18887 2245 1 4 . 1 1 76 76 ASP C C 76 177.380 177.380 177.400 -0.020 18887 2246 1 4 . 1 1 76 76 ASP CA C 76 57.700 57.700 56.129 1.571 18887 2247 1 4 . 1 1 76 76 ASP CB C 76 41.270 41.270 41.568 -0.298 18887 2248 1 4 . 1 1 76 76 ASP H H 76 7.210 7.210 7.609 -0.400 18887 2249 1 4 . 1 1 77 77 GLY N N 77 111.910 111.910 110.855 1.055 18887 2250 1 4 . 1 1 77 77 GLY C C 77 174.310 174.310 174.314 -0.004 18887 2251 1 4 . 1 1 77 77 GLY CA C 77 46.290 46.290 45.362 0.928 18887 2252 1 4 . 1 1 77 77 GLY H H 77 8.920 8.920 8.565 0.355 18887 2253 1 4 . 1 1 78 78 LYS N N 78 117.910 117.910 119.853 -1.943 18887 2254 1 4 . 1 1 78 78 LYS HA H 78 4.540 4.540 4.887 -0.347 18887 2255 1 4 . 1 1 78 78 LYS C C 78 175.910 175.910 175.997 -0.087 18887 2256 1 4 . 1 1 78 78 LYS CA C 78 53.410 53.410 54.848 -1.438 18887 2257 1 4 . 1 1 78 78 LYS CB C 78 32.780 32.780 34.913 -2.134 18887 2258 1 4 . 1 1 78 78 LYS H H 78 7.700 7.700 7.626 0.074 18887 2259 1 4 . 1 1 79 79 VAL N N 79 124.500 124.500 121.238 3.262 18887 2260 1 4 . 1 1 79 79 VAL HA H 79 3.850 3.850 4.152 -0.302 18887 2261 1 4 . 1 1 79 79 VAL C C 79 174.140 174.140 174.649 -0.509 18887 2262 1 4 . 1 1 79 79 VAL CA C 79 64.810 64.810 62.389 2.421 18887 2263 1 4 . 1 1 79 79 VAL CB C 79 32.390 32.390 32.196 0.194 18887 2264 1 4 . 1 1 79 79 VAL H H 79 8.890 8.890 8.238 0.652 18887 2265 1 4 . 1 1 80 80 VAL N N 80 125.810 125.810 126.507 -0.697 18887 2266 1 4 . 1 1 80 80 VAL HA H 80 4.690 4.690 4.858 -0.168 18887 2267 1 4 . 1 1 80 80 VAL C C 80 175.270 175.270 174.955 0.315 18887 2268 1 4 . 1 1 80 80 VAL CA C 80 60.670 60.670 60.570 0.100 18887 2269 1 4 . 1 1 80 80 VAL CB C 80 35.970 35.970 34.325 1.645 18887 2270 1 4 . 1 1 80 80 VAL H H 80 7.860 7.860 8.405 -0.545 18887 2271 1 4 . 1 1 81 81 LEU N N 81 110.550 110.550 128.138 -17.588 18887 2272 1 4 . 1 1 81 81 LEU HA H 81 4.490 4.490 4.814 -0.324 18887 2273 1 4 . 1 1 81 81 LEU C C 81 173.930 173.930 174.677 -0.747 18887 2274 1 4 . 1 1 81 81 LEU CA C 81 54.410 54.410 53.724 0.686 18887 2275 1 4 . 1 1 81 81 LEU CB C 81 45.100 45.100 44.576 0.524 18887 2276 1 4 . 1 1 81 81 LEU H H 81 8.790 8.790 9.237 -0.447 18887 2277 1 4 . 1 1 82 82 GLU N N 82 111.070 111.070 127.854 -16.784 18887 2278 1 4 . 1 1 82 82 GLU HA H 82 5.460 5.460 4.937 0.523 18887 2279 1 4 . 1 1 82 82 GLU C C 82 175.440 175.440 175.272 0.168 18887 2280 1 4 . 1 1 82 82 GLU CA C 82 56.010 56.010 55.420 0.590 18887 2281 1 4 . 1 1 82 82 GLU CB C 82 32.100 32.100 31.309 0.791 18887 2282 1 4 . 1 1 82 82 GLU H H 82 8.750 8.750 8.761 -0.011 18887 2283 1 4 . 1 1 83 83 VAL N N 83 119.980 119.980 121.091 -1.111 18887 2284 1 4 . 1 1 83 83 VAL HA H 83 4.950 4.950 4.690 0.260 18887 2285 1 4 . 1 1 83 83 VAL C C 83 172.120 172.120 173.091 -0.971 18887 2286 1 4 . 1 1 83 83 VAL CA C 83 58.760 58.760 58.207 0.553 18887 2287 1 4 . 1 1 83 83 VAL CB C 83 34.570 34.570 33.758 0.812 18887 2288 1 4 . 1 1 83 83 VAL H H 83 9.390 9.390 8.987 0.403 18887 2289 1 4 . 1 1 84 84 PRO HA H 84 4.740 4.740 4.506 0.234 18887 2290 1 4 . 1 1 84 84 PRO C C 84 178.300 178.300 177.891 0.409 18887 2291 1 4 . 1 1 84 84 PRO CA C 84 63.330 63.330 62.553 0.777 18887 2292 1 4 . 1 1 84 84 PRO CB C 84 33.430 33.430 32.140 1.290 18887 2293 1 4 . 1 1 85 85 VAL N N 85 122.390 122.390 122.769 -0.379 18887 2294 1 4 . 1 1 85 85 VAL HA H 85 3.320 3.320 3.791 -0.471 18887 2295 1 4 . 1 1 85 85 VAL C C 85 174.190 174.190 176.069 -1.879 18887 2296 1 4 . 1 1 85 85 VAL CA C 85 66.540 66.540 64.000 2.540 18887 2297 1 4 . 1 1 85 85 VAL CB C 85 32.970 32.970 31.838 1.131 18887 2298 1 4 . 1 1 85 85 VAL H H 85 7.240 7.240 8.122 -0.882 18887 2299 1 4 . 1 1 86 86 SER N N 86 125.590 125.590 113.448 12.142 18887 2300 1 4 . 1 1 86 86 SER HA H 86 4.020 4.020 4.157 -0.137 18887 2301 1 4 . 1 1 86 86 SER C C 86 176.940 176.940 175.970 0.970 18887 2302 1 4 . 1 1 86 86 SER CA C 86 60.200 60.200 60.615 -0.415 18887 2303 1 4 . 1 1 86 86 SER CB C 86 64.060 64.060 62.628 1.432 18887 2304 1 4 . 1 1 86 86 SER H H 86 7.600 7.600 8.010 -0.410 18887 2305 1 4 . 1 1 87 87 ALA N N 87 125.200 125.200 125.401 -0.201 18887 2306 1 4 . 1 1 87 87 ALA HA H 87 4.280 4.280 4.238 0.042 18887 2307 1 4 . 1 1 87 87 ALA C C 87 177.370 177.370 176.177 1.193 18887 2308 1 4 . 1 1 87 87 ALA CA C 87 57.600 57.600 55.943 1.657 18887 2309 1 4 . 1 1 87 87 ALA CB C 87 16.620 16.620 16.560 0.060 18887 2310 1 4 . 1 1 87 87 ALA H H 87 7.870 7.870 7.774 0.096 18887 2311 1 4 . 1 1 88 88 PRO HA H 88 4.000 4.000 4.366 -0.366 18887 2312 1 4 . 1 1 88 88 PRO C C 88 175.090 175.090 176.764 -1.674 18887 2313 1 4 . 1 1 88 88 PRO CA C 88 65.410 65.410 64.290 1.120 18887 2314 1 4 . 1 1 88 88 PRO CB C 88 32.130 32.130 31.027 1.103 18887 2315 1 4 . 1 1 89 89 ILE N N 89 114.700 114.700 118.000 -3.300 18887 2316 1 4 . 1 1 89 89 ILE HA H 89 3.310 3.310 3.901 -0.591 18887 2317 1 4 . 1 1 89 89 ILE C C 89 177.850 177.850 177.346 0.504 18887 2318 1 4 . 1 1 89 89 ILE CA C 89 66.320 66.320 63.861 2.459 18887 2319 1 4 . 1 1 89 89 ILE CB C 89 38.790 38.790 38.150 0.640 18887 2320 1 4 . 1 1 89 89 ILE H H 89 6.300 6.300 7.336 -1.036 18887 2321 1 4 . 1 1 90 90 LYS N N 90 118.530 118.530 118.840 -0.310 18887 2322 1 4 . 1 1 90 90 LYS HA H 90 4.060 4.060 4.319 -0.259 18887 2323 1 4 . 1 1 90 90 LYS C C 90 177.390 177.390 177.962 -0.572 18887 2324 1 4 . 1 1 90 90 LYS CA C 90 59.710 59.710 57.950 1.760 18887 2325 1 4 . 1 1 90 90 LYS CB C 90 33.940 33.940 33.916 0.024 18887 2326 1 4 . 1 1 90 90 LYS H H 90 7.440 7.440 7.541 -0.101 18887 2327 1 4 . 1 1 91 91 ASP N N 91 114.670 114.670 121.776 -7.106 18887 2328 1 4 . 1 1 91 91 ASP HA H 91 4.530 4.530 4.825 -0.295 18887 2329 1 4 . 1 1 91 91 ASP C C 91 174.350 174.350 175.572 -1.222 18887 2330 1 4 . 1 1 91 91 ASP CA C 91 55.120 55.120 54.037 1.083 18887 2331 1 4 . 1 1 91 91 ASP CB C 91 41.530 41.530 39.939 1.591 18887 2332 1 4 . 1 1 91 91 ASP H H 91 7.700 7.700 8.101 -0.401 18887 2333 1 4 . 1 1 92 92 ALA N N 92 111.350 111.350 122.771 -11.421 18887 2334 1 4 . 1 1 92 92 ALA HA H 92 3.830 3.830 3.969 -0.139 18887 2335 1 4 . 1 1 92 92 ALA C C 92 169.330 169.330 178.785 -9.455 18887 2336 1 4 . 1 1 92 92 ALA CA C 92 57.220 57.220 55.585 1.635 18887 2337 1 4 . 1 1 92 92 ALA CB C 92 20.700 20.700 18.694 2.006 18887 2338 1 4 . 1 1 92 92 ALA H H 92 8.860 8.860 7.562 1.298 18887 2339 1 4 . 1 1 93 93 GLU N N 93 117.860 117.860 116.309 1.551 18887 2340 1 4 . 1 1 93 93 GLU HA H 93 3.860 3.860 4.002 -0.142 18887 2341 1 4 . 1 1 93 93 GLU C C 93 177.970 177.970 178.150 -0.180 18887 2342 1 4 . 1 1 93 93 GLU CA C 93 61.240 61.240 58.834 2.406 18887 2343 1 4 . 1 1 93 93 GLU CB C 93 30.570 30.570 28.840 1.730 18887 2344 1 4 . 1 1 93 93 GLU H H 93 8.520 8.520 8.770 -0.249 18887 2345 1 4 . 1 1 94 94 LYS N N 94 119.790 119.790 120.363 -0.573 18887 2346 1 4 . 1 1 94 94 LYS HA H 94 3.930 3.930 4.118 -0.188 18887 2347 1 4 . 1 1 94 94 LYS C C 94 169.840 169.840 178.494 -8.654 18887 2348 1 4 . 1 1 94 94 LYS CA C 94 60.600 60.600 58.557 2.043 18887 2349 1 4 . 1 1 94 94 LYS CB C 94 33.550 33.550 31.660 1.890 18887 2350 1 4 . 1 1 94 94 LYS H H 94 7.670 7.670 7.902 -0.232 18887 2351 1 4 . 1 1 95 95 VAL N N 95 118.850 118.850 120.095 -1.245 18887 2352 1 4 . 1 1 95 95 VAL HA H 95 3.590 3.590 3.613 -0.023 18887 2353 1 4 . 1 1 95 95 VAL C C 95 176.620 176.620 177.936 -1.316 18887 2354 1 4 . 1 1 95 95 VAL CA C 95 67.220 67.220 66.561 0.659 18887 2355 1 4 . 1 1 95 95 VAL CB C 95 32.880 32.880 31.739 1.141 18887 2356 1 4 . 1 1 95 95 VAL H H 95 7.150 7.150 8.185 -1.035 18887 2357 1 4 . 1 1 96 96 ILE N N 96 119.120 119.120 120.164 -1.044 18887 2358 1 4 . 1 1 96 96 ILE HA H 96 3.380 3.380 3.537 -0.157 18887 2359 1 4 . 1 1 96 96 ILE C C 96 177.750 177.750 177.822 -0.072 18887 2360 1 4 . 1 1 96 96 ILE CA C 96 67.190 67.190 65.565 1.625 18887 2361 1 4 . 1 1 96 96 ILE CB C 96 38.440 38.440 37.392 1.048 18887 2362 1 4 . 1 1 96 96 ILE H H 96 8.380 8.380 7.698 0.682 18887 2363 1 4 . 1 1 97 97 ASN N N 97 117.000 117.000 118.273 -1.273 18887 2364 1 4 . 1 1 97 97 ASN HA H 97 4.420 4.420 4.406 0.014 18887 2365 1 4 . 1 1 97 97 ASN C C 97 178.380 178.380 177.662 0.718 18887 2366 1 4 . 1 1 97 97 ASN CA C 97 57.430 57.430 56.699 0.731 18887 2367 1 4 . 1 1 97 97 ASN CB C 97 39.030 39.030 38.353 0.677 18887 2368 1 4 . 1 1 97 97 ASN H H 97 8.730 8.730 8.135 0.595 18887 2369 1 4 . 1 1 98 98 ALA N N 98 123.790 123.790 122.601 1.189 18887 2370 1 4 . 1 1 98 98 ALA HA H 98 4.100 4.100 4.126 -0.026 18887 2371 1 4 . 1 1 98 98 ALA C C 98 169.600 169.600 179.152 -9.552 18887 2372 1 4 . 1 1 98 98 ALA CA C 98 55.890 55.890 54.870 1.020 18887 2373 1 4 . 1 1 98 98 ALA CB C 98 18.850 18.850 18.232 0.618 18887 2374 1 4 . 1 1 98 98 ALA H H 98 7.950 7.950 7.729 0.221 18887 2375 1 4 . 1 1 99 99 ALA N N 99 122.120 122.120 121.118 1.002 18887 2376 1 4 . 1 1 99 99 ALA HA H 99 3.930 3.930 3.995 -0.065 18887 2377 1 4 . 1 1 99 99 ALA C C 99 178.700 178.700 179.970 -1.270 18887 2378 1 4 . 1 1 99 99 ALA CA C 99 55.920 55.920 54.660 1.260 18887 2379 1 4 . 1 1 99 99 ALA CB C 99 18.960 18.960 18.518 0.442 18887 2380 1 4 . 1 1 99 99 ALA H H 99 7.930 7.930 7.587 0.343 18887 2381 1 4 . 1 1 100 100 LEU N N 100 115.870 115.870 119.313 -3.443 18887 2382 1 4 . 1 1 100 100 LEU HA H 100 3.900 3.900 4.047 -0.147 18887 2383 1 4 . 1 1 100 100 LEU C C 100 169.150 169.150 178.811 -9.661 18887 2384 1 4 . 1 1 100 100 LEU CA C 100 58.140 58.140 57.258 0.882 18887 2385 1 4 . 1 1 100 100 LEU CB C 100 41.730 41.730 40.679 1.051 18887 2386 1 4 . 1 1 100 100 LEU H H 100 8.220 8.220 8.435 -0.215 18887 2387 1 4 . 1 1 101 101 ALA N N 101 120.410 120.410 121.186 -0.776 18887 2388 1 4 . 1 1 101 101 ALA HA H 101 4.100 4.100 4.219 -0.119 18887 2389 1 4 . 1 1 101 101 ALA C C 101 169.730 169.730 178.996 -9.266 18887 2390 1 4 . 1 1 101 101 ALA CA C 101 55.680 55.680 54.647 1.033 18887 2391 1 4 . 1 1 101 101 ALA CB C 101 18.860 18.860 18.458 0.402 18887 2392 1 4 . 1 1 101 101 ALA H H 101 7.970 7.970 7.786 0.184 18887 2393 1 4 . 1 1 102 102 LEU N N 102 115.090 115.090 116.698 -1.608 18887 2394 1 4 . 1 1 102 102 LEU HA H 102 4.120 4.120 4.327 -0.207 18887 2395 1 4 . 1 1 102 102 LEU C C 102 169.060 169.060 177.890 -8.830 18887 2396 1 4 . 1 1 102 102 LEU CA C 102 57.870 57.870 55.903 1.967 18887 2397 1 4 . 1 1 102 102 LEU CB C 102 43.730 43.730 42.484 1.246 18887 2398 1 4 . 1 1 102 102 LEU H H 102 7.330 7.330 7.624 -0.294 18887 2399 1 4 . 1 1 103 103 ILE N N 103 110.170 110.170 111.331 -1.161 18887 2400 1 4 . 1 1 103 103 ILE HA H 103 4.430 4.430 4.378 0.052 18887 2401 1 4 . 1 1 103 103 ILE C C 103 176.670 176.670 176.398 0.272 18887 2402 1 4 . 1 1 103 103 ILE CA C 103 62.520 62.520 61.383 1.137 18887 2403 1 4 . 1 1 103 103 ILE CB C 103 40.020 40.020 40.007 0.013 18887 2404 1 4 . 1 1 103 103 ILE H H 103 7.140 7.140 7.473 -0.333 18887 2405 1 4 . 1 1 104 104 ASP N N 104 122.560 122.560 119.963 2.597 18887 2406 1 4 . 1 1 104 104 ASP HA H 104 4.650 4.650 4.643 0.007 18887 2407 1 4 . 1 1 104 104 ASP C C 104 176.670 176.670 175.371 1.299 18887 2408 1 4 . 1 1 104 104 ASP CA C 104 56.220 56.220 54.342 1.878 18887 2409 1 4 . 1 1 104 104 ASP CB C 104 42.080 42.080 43.868 -1.788 18887 2410 1 4 . 1 1 104 104 ASP H H 104 8.000 8.000 8.173 -0.173 18887 2411 1 4 . 1 1 105 105 GLU N N 105 120.750 120.750 120.824 -0.074 18887 2412 1 4 . 1 1 105 105 GLU HA H 105 4.300 4.300 3.919 0.381 18887 2413 1 4 . 1 1 105 105 GLU C C 105 175.470 175.470 174.927 0.543 18887 2414 1 4 . 1 1 105 105 GLU CA C 105 57.640 57.640 57.355 0.285 18887 2415 1 4 . 1 1 105 105 GLU CB C 105 30.870 30.870 28.622 2.248 18887 2416 1 4 . 1 1 105 105 GLU H H 105 8.030 8.030 8.228 -0.198 18887 2417 1 5 . 1 1 2 2 LYS N N 2 120.950 120.950 120.110 0.840 18887 2418 1 5 . 1 1 2 2 LYS HA H 2 4.330 4.330 4.073 0.257 18887 2419 1 5 . 1 1 2 2 LYS C C 2 176.040 176.040 175.059 0.981 18887 2420 1 5 . 1 1 2 2 LYS CA C 2 57.850 57.850 56.546 1.304 18887 2421 1 5 . 1 1 2 2 LYS CB C 2 33.480 33.480 31.398 2.082 18887 2422 1 5 . 1 1 2 2 LYS H H 2 8.220 8.220 8.627 -0.407 18887 2423 1 5 . 1 1 3 3 ARG N N 3 120.340 120.340 123.044 -2.704 18887 2424 1 5 . 1 1 3 3 ARG HA H 3 4.660 4.660 4.096 0.564 18887 2425 1 5 . 1 1 3 3 ARG C C 3 175.960 175.960 176.453 -0.493 18887 2426 1 5 . 1 1 3 3 ARG CA C 3 53.810 53.810 56.296 -2.486 18887 2427 1 5 . 1 1 3 3 ARG CB C 3 29.710 29.710 30.891 -1.181 18887 2428 1 5 . 1 1 3 3 ARG H H 3 8.220 8.220 8.584 -0.364 18887 2429 1 5 . 1 1 4 4 LYS N N 4 121.540 121.540 127.363 -5.823 18887 2430 1 5 . 1 1 4 4 LYS HA H 4 4.770 4.770 4.557 0.213 18887 2431 1 5 . 1 1 4 4 LYS C C 4 174.820 174.820 175.762 -0.942 18887 2432 1 5 . 1 1 4 4 LYS CA C 4 57.230 57.230 55.586 1.644 18887 2433 1 5 . 1 1 4 4 LYS CB C 4 33.800 33.800 31.244 2.556 18887 2434 1 5 . 1 1 4 4 LYS H H 4 8.880 8.880 8.207 0.673 18887 2435 1 5 . 1 1 5 5 ILE N N 5 125.030 125.030 125.923 -0.893 18887 2436 1 5 . 1 1 5 5 ILE HA H 5 4.530 4.530 4.861 -0.331 18887 2437 1 5 . 1 1 5 5 ILE C C 5 175.420 175.420 174.589 0.831 18887 2438 1 5 . 1 1 5 5 ILE CA C 5 61.120 61.120 60.018 1.102 18887 2439 1 5 . 1 1 5 5 ILE CB C 5 41.880 41.880 41.196 0.684 18887 2440 1 5 . 1 1 5 5 ILE H H 5 8.760 8.760 8.881 -0.121 18887 2441 1 5 . 1 1 6 6 ILE N N 6 119.270 119.270 122.352 -3.082 18887 2442 1 5 . 1 1 6 6 ILE HA H 6 5.440 5.440 4.995 0.445 18887 2443 1 5 . 1 1 6 6 ILE C C 6 173.880 173.880 173.726 0.154 18887 2444 1 5 . 1 1 6 6 ILE CA C 6 60.480 60.480 58.171 2.309 18887 2445 1 5 . 1 1 6 6 ILE CB C 6 42.120 42.120 39.277 2.843 18887 2446 1 5 . 1 1 6 6 ILE H H 6 8.110 8.110 8.466 -0.356 18887 2447 1 5 . 1 1 7 7 ALA N N 7 122.330 122.330 128.845 -6.515 18887 2448 1 5 . 1 1 7 7 ALA HA H 7 5.780 5.780 4.926 0.854 18887 2449 1 5 . 1 1 7 7 ALA C C 7 173.950 173.950 174.925 -0.975 18887 2450 1 5 . 1 1 7 7 ALA CA C 7 51.280 51.280 50.247 1.033 18887 2451 1 5 . 1 1 7 7 ALA CB C 7 25.930 25.930 22.912 3.018 18887 2452 1 5 . 1 1 7 7 ALA H H 7 8.790 8.790 8.988 -0.198 18887 2453 1 5 . 1 1 8 8 VAL N N 8 119.860 119.860 123.698 -3.838 18887 2454 1 5 . 1 1 8 8 VAL HA H 8 5.190 5.190 4.559 0.631 18887 2455 1 5 . 1 1 8 8 VAL C C 8 175.590 175.590 175.296 0.294 18887 2456 1 5 . 1 1 8 8 VAL CA C 8 61.340 61.340 61.181 0.159 18887 2457 1 5 . 1 1 8 8 VAL CB C 8 36.650 36.650 34.141 2.509 18887 2458 1 5 . 1 1 8 8 VAL H H 8 8.950 8.950 8.392 0.558 18887 2459 1 5 . 1 1 9 9 THR N N 9 116.320 116.320 118.658 -2.338 18887 2460 1 5 . 1 1 9 9 THR HA H 9 5.500 5.500 5.327 0.173 18887 2461 1 5 . 1 1 9 9 THR C C 9 172.920 172.920 173.573 -0.653 18887 2462 1 5 . 1 1 9 9 THR CA C 9 59.470 59.470 59.595 -0.125 18887 2463 1 5 . 1 1 9 9 THR CB C 9 71.510 71.510 70.108 1.402 18887 2464 1 5 . 1 1 9 9 THR H H 9 8.860 8.860 9.192 -0.332 18887 2465 1 5 . 1 1 10 10 ALA N N 10 121.780 121.780 129.466 -7.686 18887 2466 1 5 . 1 1 10 10 ALA HA H 10 4.800 4.800 5.412 -0.612 18887 2467 1 5 . 1 1 10 10 ALA C C 10 174.680 174.680 175.126 -0.446 18887 2468 1 5 . 1 1 10 10 ALA CA C 10 54.300 54.300 51.046 3.254 18887 2469 1 5 . 1 1 10 10 ALA CB C 10 22.940 22.940 21.403 1.537 18887 2470 1 5 . 1 1 10 10 ALA H H 10 7.710 7.710 8.544 -0.834 18887 2471 1 5 . 1 1 11 11 CYS N N 11 121.780 121.780 120.835 0.945 18887 2472 1 5 . 1 1 11 11 CYS HA H 11 5.160 5.160 4.778 0.382 18887 2473 1 5 . 1 1 11 11 CYS C C 11 174.700 174.700 174.189 0.511 18887 2474 1 5 . 1 1 11 11 CYS CA C 11 57.150 57.150 57.895 -0.745 18887 2475 1 5 . 1 1 11 11 CYS CB C 11 30.830 30.830 30.881 -0.051 18887 2476 1 5 . 1 1 11 11 CYS H H 11 8.140 8.140 8.267 -0.127 18887 2477 1 5 . 1 1 12 12 ALA N N 12 113.900 113.900 130.844 -16.944 18887 2478 1 5 . 1 1 12 12 ALA HA H 12 4.220 4.220 4.237 -0.017 18887 2479 1 5 . 1 1 12 12 ALA C C 12 168.950 168.950 178.594 -9.644 18887 2480 1 5 . 1 1 12 12 ALA CA C 12 55.270 55.270 54.785 0.485 18887 2481 1 5 . 1 1 12 12 ALA CB C 12 20.320 20.320 19.034 1.286 18887 2482 1 5 . 1 1 12 12 ALA H H 12 10.630 10.630 8.780 1.850 18887 2483 1 5 . 1 1 13 13 THR N N 13 109.490 109.490 114.496 -5.006 18887 2484 1 5 . 1 1 13 13 THR HA H 13 4.390 4.390 4.031 0.359 18887 2485 1 5 . 1 1 13 13 THR C C 13 174.870 174.870 175.607 -0.737 18887 2486 1 5 . 1 1 13 13 THR CA C 13 62.910 62.910 65.685 -2.775 18887 2487 1 5 . 1 1 13 13 THR CB C 13 70.640 70.640 68.899 1.741 18887 2488 1 5 . 1 1 13 13 THR H H 13 8.180 8.180 7.998 0.182 18887 2489 1 5 . 1 1 14 14 GLY N N 14 111.450 111.450 110.066 1.384 18887 2490 1 5 . 1 1 14 14 GLY C C 14 173.680 173.680 173.722 -0.042 18887 2491 1 5 . 1 1 14 14 GLY CA C 14 47.050 47.050 44.383 2.667 18887 2492 1 5 . 1 1 14 14 GLY H H 14 7.880 7.880 7.724 0.156 18887 2493 1 5 . 1 1 15 15 VAL N N 15 119.530 119.530 125.019 -5.489 18887 2494 1 5 . 1 1 15 15 VAL HA H 15 4.110 4.110 3.946 0.164 18887 2495 1 5 . 1 1 15 15 VAL C C 15 176.860 176.860 177.066 -0.206 18887 2496 1 5 . 1 1 15 15 VAL CA C 15 64.740 64.740 64.956 -0.216 18887 2497 1 5 . 1 1 15 15 VAL CB C 15 33.690 33.690 31.794 1.896 18887 2498 1 5 . 1 1 15 15 VAL H H 15 8.250 8.250 8.397 -0.147 18887 2499 1 5 . 1 1 16 16 ALA N N 16 123.230 123.230 120.830 2.400 18887 2500 1 5 . 1 1 16 16 ALA HA H 16 4.230 4.230 3.931 0.299 18887 2501 1 5 . 1 1 16 16 ALA C C 16 170.610 170.610 179.561 -8.951 18887 2502 1 5 . 1 1 16 16 ALA CA C 16 56.280 56.280 54.742 1.538 18887 2503 1 5 . 1 1 16 16 ALA CB C 16 19.320 19.320 18.415 0.905 18887 2504 1 5 . 1 1 16 16 ALA H H 16 8.430 8.430 8.320 0.110 18887 2505 1 5 . 1 1 17 17 HIS HA H 17 4.380 4.380 4.322 0.058 18887 2506 1 5 . 1 1 17 17 HIS C C 17 177.260 177.260 177.776 -0.516 18887 2507 1 5 . 1 1 17 17 HIS CA C 17 60.060 60.060 59.105 0.955 18887 2508 1 5 . 1 1 17 17 HIS CB C 17 31.990 31.990 29.888 2.102 18887 2509 1 5 . 1 1 18 18 THR N N 18 115.830 115.830 117.219 -1.389 18887 2510 1 5 . 1 1 18 18 THR HA H 18 3.540 3.540 4.114 -0.574 18887 2511 1 5 . 1 1 18 18 THR C C 18 176.690 176.690 176.677 0.013 18887 2512 1 5 . 1 1 18 18 THR CA C 18 67.700 67.700 67.722 -0.022 18887 2513 1 5 . 1 1 18 18 THR CB C 18 69.550 69.550 68.905 0.645 18887 2514 1 5 . 1 1 18 18 THR H H 18 7.590 7.590 7.887 -0.297 18887 2515 1 5 . 1 1 19 19 TYR N N 19 121.050 121.050 120.143 0.907 18887 2516 1 5 . 1 1 19 19 TYR HA H 19 4.340 4.340 4.438 -0.098 18887 2517 1 5 . 1 1 19 19 TYR C C 19 178.420 178.420 178.177 0.243 18887 2518 1 5 . 1 1 19 19 TYR CA C 19 61.220 61.220 59.761 1.459 18887 2519 1 5 . 1 1 19 19 TYR CB C 19 38.400 38.400 37.296 1.104 18887 2520 1 5 . 1 1 19 19 TYR H H 19 7.710 7.710 8.052 -0.342 18887 2521 1 5 . 1 1 20 20 MET N N 20 120.220 120.220 119.556 0.664 18887 2522 1 5 . 1 1 20 20 MET HA H 20 4.160 4.160 4.024 0.136 18887 2523 1 5 . 1 1 20 20 MET C C 20 169.550 169.550 177.962 -8.412 18887 2524 1 5 . 1 1 20 20 MET CA C 20 60.050 60.050 58.702 1.349 18887 2525 1 5 . 1 1 20 20 MET CB C 20 34.410 34.410 32.596 1.814 18887 2526 1 5 . 1 1 20 20 MET H H 20 8.470 8.470 8.239 0.231 18887 2527 1 5 . 1 1 21 21 ALA N N 21 122.280 122.280 121.708 0.572 18887 2528 1 5 . 1 1 21 21 ALA HA H 21 3.870 3.870 3.914 -0.044 18887 2529 1 5 . 1 1 21 21 ALA C C 21 178.630 178.630 178.905 -0.275 18887 2530 1 5 . 1 1 21 21 ALA CA C 21 56.760 56.760 55.320 1.440 18887 2531 1 5 . 1 1 21 21 ALA CB C 21 19.690 19.690 18.092 1.598 18887 2532 1 5 . 1 1 21 21 ALA H H 21 8.490 8.490 8.461 0.029 18887 2533 1 5 . 1 1 22 22 ALA N N 22 120.240 120.240 120.413 -0.173 18887 2534 1 5 . 1 1 22 22 ALA HA H 22 3.900 3.900 3.902 -0.002 18887 2535 1 5 . 1 1 22 22 ALA C C 22 169.200 169.200 180.138 -10.938 18887 2536 1 5 . 1 1 22 22 ALA CA C 22 56.880 56.880 55.098 1.782 18887 2537 1 5 . 1 1 22 22 ALA CB C 22 19.560 19.560 18.118 1.442 18887 2538 1 5 . 1 1 22 22 ALA H H 22 7.660 7.660 7.967 -0.307 18887 2539 1 5 . 1 1 23 23 GLN N N 23 116.680 116.680 118.602 -1.922 18887 2540 1 5 . 1 1 23 23 GLN HA H 23 3.940 3.940 3.996 -0.056 18887 2541 1 5 . 1 1 23 23 GLN C C 23 178.500 178.500 178.536 -0.036 18887 2542 1 5 . 1 1 23 23 GLN CA C 23 59.550 59.550 58.605 0.945 18887 2543 1 5 . 1 1 23 23 GLN CB C 23 29.660 29.660 28.840 0.820 18887 2544 1 5 . 1 1 23 23 GLN H H 23 8.430 8.430 7.766 0.664 18887 2545 1 5 . 1 1 24 24 ALA N N 24 121.760 121.760 122.906 -1.146 18887 2546 1 5 . 1 1 24 24 ALA HA H 24 4.140 4.140 4.030 0.110 18887 2547 1 5 . 1 1 24 24 ALA C C 24 171.490 171.490 179.499 -8.009 18887 2548 1 5 . 1 1 24 24 ALA CA C 24 56.060 56.060 55.193 0.868 18887 2549 1 5 . 1 1 24 24 ALA CB C 24 19.760 19.760 18.586 1.174 18887 2550 1 5 . 1 1 24 24 ALA H H 24 8.130 8.130 8.472 -0.342 18887 2551 1 5 . 1 1 25 25 LEU N N 25 118.730 118.730 120.199 -1.469 18887 2552 1 5 . 1 1 25 25 LEU HA H 25 3.850 3.850 4.066 -0.216 18887 2553 1 5 . 1 1 25 25 LEU C C 25 177.990 177.990 178.392 -0.402 18887 2554 1 5 . 1 1 25 25 LEU CA C 25 59.280 59.280 57.681 1.599 18887 2555 1 5 . 1 1 25 25 LEU CB C 25 43.190 43.190 41.745 1.445 18887 2556 1 5 . 1 1 25 25 LEU H H 25 8.030 8.030 8.615 -0.585 18887 2557 1 5 . 1 1 26 26 LYS N N 26 118.850 118.850 119.027 -0.177 18887 2558 1 5 . 1 1 26 26 LYS HA H 26 3.840 3.840 3.948 -0.108 18887 2559 1 5 . 1 1 26 26 LYS C C 26 169.460 169.460 178.876 -9.416 18887 2560 1 5 . 1 1 26 26 LYS CA C 26 61.420 61.420 59.397 2.023 18887 2561 1 5 . 1 1 26 26 LYS CB C 26 33.440 33.440 32.131 1.309 18887 2562 1 5 . 1 1 26 26 LYS H H 26 8.000 8.000 7.735 0.265 18887 2563 1 5 . 1 1 27 27 LYS N N 27 120.350 120.350 119.064 1.286 18887 2564 1 5 . 1 1 27 27 LYS HA H 27 3.990 3.990 4.096 -0.106 18887 2565 1 5 . 1 1 27 27 LYS C C 27 169.670 169.670 179.085 -9.415 18887 2566 1 5 . 1 1 27 27 LYS CA C 27 60.700 60.700 58.767 1.933 18887 2567 1 5 . 1 1 27 27 LYS CB C 27 33.620 33.620 31.893 1.727 18887 2568 1 5 . 1 1 27 27 LYS H H 27 8.350 8.350 7.967 0.383 18887 2569 1 5 . 1 1 28 28 GLY N N 28 125.170 125.170 106.806 18.364 18887 2570 1 5 . 1 1 28 28 GLY C C 28 174.520 174.520 175.692 -1.172 18887 2571 1 5 . 1 1 28 28 GLY CA C 28 47.870 47.870 47.093 0.777 18887 2572 1 5 . 1 1 28 28 GLY H H 28 8.410 8.410 8.002 0.408 18887 2573 1 5 . 1 1 29 29 ALA N N 29 122.370 122.370 124.302 -1.932 18887 2574 1 5 . 1 1 29 29 ALA HA H 29 3.820 3.820 4.078 -0.258 18887 2575 1 5 . 1 1 29 29 ALA C C 29 169.050 169.050 179.758 -10.708 18887 2576 1 5 . 1 1 29 29 ALA CA C 29 56.840 56.840 55.006 1.834 18887 2577 1 5 . 1 1 29 29 ALA CB C 29 18.800 18.800 18.253 0.547 18887 2578 1 5 . 1 1 29 29 ALA H H 29 8.280 8.280 7.765 0.515 18887 2579 1 5 . 1 1 30 30 LYS N N 30 117.490 117.490 117.871 -0.381 18887 2580 1 5 . 1 1 30 30 LYS HA H 30 4.130 4.130 4.007 0.123 18887 2581 1 5 . 1 1 30 30 LYS C C 30 170.330 170.330 179.047 -8.717 18887 2582 1 5 . 1 1 30 30 LYS CA C 30 60.420 60.420 59.225 1.195 18887 2583 1 5 . 1 1 30 30 LYS CB C 30 33.230 33.230 32.370 0.860 18887 2584 1 5 . 1 1 30 30 LYS H H 30 7.720 7.720 7.936 -0.216 18887 2585 1 5 . 1 1 31 31 LYS N N 31 121.050 121.050 119.978 1.072 18887 2586 1 5 . 1 1 31 31 LYS HA H 31 4.020 4.020 4.069 -0.049 18887 2587 1 5 . 1 1 31 31 LYS C C 31 178.160 178.160 178.542 -0.382 18887 2588 1 5 . 1 1 31 31 LYS CA C 31 60.360 60.360 58.858 1.502 18887 2589 1 5 . 1 1 31 31 LYS CB C 31 33.380 33.380 32.644 0.736 18887 2590 1 5 . 1 1 31 31 LYS H H 31 7.930 7.930 7.778 0.152 18887 2591 1 5 . 1 1 32 32 MET N N 32 114.620 114.620 114.488 0.132 18887 2592 1 5 . 1 1 32 32 MET HA H 32 4.240 4.240 4.413 -0.173 18887 2593 1 5 . 1 1 32 32 MET C C 32 175.810 175.810 177.257 -1.447 18887 2594 1 5 . 1 1 32 32 MET CA C 32 57.400 57.400 55.219 2.181 18887 2595 1 5 . 1 1 32 32 MET CB C 32 37.710 37.710 33.179 4.531 18887 2596 1 5 . 1 1 32 32 MET H H 32 7.420 7.420 8.196 -0.776 18887 2597 1 5 . 1 1 33 33 GLY N N 33 124.900 124.900 107.736 17.164 18887 2598 1 5 . 1 1 33 33 GLY C C 33 174.340 174.340 173.079 1.261 18887 2599 1 5 . 1 1 33 33 GLY CA C 33 46.830 46.830 45.056 1.774 18887 2600 1 5 . 1 1 33 33 GLY H H 33 7.860 7.860 8.293 -0.433 18887 2601 1 5 . 1 1 34 34 ASN N N 34 116.070 116.070 118.227 -2.157 18887 2602 1 5 . 1 1 34 34 ASN HA H 34 5.210 5.210 5.070 0.140 18887 2603 1 5 . 1 1 34 34 ASN C C 34 173.080 173.080 173.856 -0.776 18887 2604 1 5 . 1 1 34 34 ASN CA C 34 52.770 52.770 52.252 0.519 18887 2605 1 5 . 1 1 34 34 ASN CB C 34 42.880 42.880 42.422 0.458 18887 2606 1 5 . 1 1 34 34 ASN H H 34 8.160 8.160 8.401 -0.241 18887 2607 1 5 . 1 1 35 35 LEU N N 35 121.450 121.450 122.065 -0.615 18887 2608 1 5 . 1 1 35 35 LEU HA H 35 4.620 4.620 4.697 -0.077 18887 2609 1 5 . 1 1 35 35 LEU C C 35 174.930 174.930 175.026 -0.096 18887 2610 1 5 . 1 1 35 35 LEU CA C 35 55.150 55.150 53.886 1.264 18887 2611 1 5 . 1 1 35 35 LEU CB C 35 44.760 44.760 43.533 1.227 18887 2612 1 5 . 1 1 35 35 LEU H H 35 8.770 8.770 8.243 0.527 18887 2613 1 5 . 1 1 36 36 ILE N N 36 119.690 119.690 124.249 -4.559 18887 2614 1 5 . 1 1 36 36 ILE HA H 36 5.660 5.660 5.210 0.450 18887 2615 1 5 . 1 1 36 36 ILE C C 36 172.620 172.620 174.873 -2.253 18887 2616 1 5 . 1 1 36 36 ILE CA C 36 59.410 59.410 58.934 0.476 18887 2617 1 5 . 1 1 36 36 ILE CB C 36 44.340 44.340 41.330 3.010 18887 2618 1 5 . 1 1 36 36 ILE H H 36 8.390 8.390 8.555 -0.165 18887 2619 1 5 . 1 1 37 37 LYS N N 37 126.230 126.230 128.975 -2.745 18887 2620 1 5 . 1 1 37 37 LYS HA H 37 4.590 4.590 4.625 -0.035 18887 2621 1 5 . 1 1 37 37 LYS C C 37 174.340 174.340 174.651 -0.311 18887 2622 1 5 . 1 1 37 37 LYS CA C 37 57.050 57.050 54.187 2.863 18887 2623 1 5 . 1 1 37 37 LYS CB C 37 36.860 36.860 32.789 4.071 18887 2624 1 5 . 1 1 37 37 LYS H H 37 7.210 7.210 8.780 -1.570 18887 2625 1 5 . 1 1 38 38 VAL N N 38 124.270 124.270 125.889 -1.619 18887 2626 1 5 . 1 1 38 38 VAL HA H 38 4.920 4.920 4.756 0.164 18887 2627 1 5 . 1 1 38 38 VAL C C 38 174.660 174.660 175.547 -0.887 18887 2628 1 5 . 1 1 38 38 VAL CA C 38 61.420 61.420 60.964 0.456 18887 2629 1 5 . 1 1 38 38 VAL CB C 38 35.020 35.020 32.827 2.193 18887 2630 1 5 . 1 1 38 38 VAL H H 38 8.760 8.760 8.649 0.111 18887 2631 1 5 . 1 1 39 39 GLU N N 39 114.800 114.800 128.694 -13.894 18887 2632 1 5 . 1 1 39 39 GLU HA H 39 5.020 5.020 4.678 0.342 18887 2633 1 5 . 1 1 39 39 GLU C C 39 175.680 175.680 175.738 -0.058 18887 2634 1 5 . 1 1 39 39 GLU CA C 39 55.680 55.680 54.790 0.890 18887 2635 1 5 . 1 1 39 39 GLU CB C 39 33.940 33.940 33.036 0.904 18887 2636 1 5 . 1 1 39 39 GLU H H 39 9.210 9.210 9.109 0.101 18887 2637 1 5 . 1 1 40 40 THR N N 40 115.120 115.120 118.732 -3.612 18887 2638 1 5 . 1 1 40 40 THR HA H 40 5.180 5.180 4.988 0.192 18887 2639 1 5 . 1 1 40 40 THR C C 40 174.200 174.200 173.443 0.757 18887 2640 1 5 . 1 1 40 40 THR CA C 40 59.710 59.710 60.342 -0.632 18887 2641 1 5 . 1 1 40 40 THR CB C 40 71.270 71.270 69.355 1.915 18887 2642 1 5 . 1 1 40 40 THR H H 40 8.500 8.500 8.897 -0.397 18887 2643 1 5 . 1 1 41 41 GLN N N 41 119.850 119.850 128.332 -8.482 18887 2644 1 5 . 1 1 41 41 GLN HA H 41 4.990 4.990 5.037 -0.047 18887 2645 1 5 . 1 1 41 41 GLN C C 41 175.110 175.110 175.271 -0.161 18887 2646 1 5 . 1 1 41 41 GLN CA C 41 54.980 54.980 53.714 1.266 18887 2647 1 5 . 1 1 41 41 GLN CB C 41 29.780 29.780 31.290 -1.510 18887 2648 1 5 . 1 1 41 41 GLN H H 41 8.470 8.470 9.005 -0.535 18887 2649 1 5 . 1 1 42 42 GLY N N 42 109.530 109.530 114.642 -5.112 18887 2650 1 5 . 1 1 42 42 GLY C C 42 174.750 174.750 173.503 1.247 18887 2651 1 5 . 1 1 42 42 GLY CA C 42 45.630 45.630 45.523 0.107 18887 2652 1 5 . 1 1 42 42 GLY H H 42 7.890 7.890 8.232 -0.342 18887 2653 1 5 . 1 1 43 43 ALA N N 43 123.850 123.850 123.162 0.688 18887 2654 1 5 . 1 1 43 43 ALA HA H 43 4.170 4.170 4.587 -0.417 18887 2655 1 5 . 1 1 43 43 ALA C C 43 169.490 169.490 177.080 -7.590 18887 2656 1 5 . 1 1 43 43 ALA CA C 43 56.170 56.170 51.913 4.257 18887 2657 1 5 . 1 1 43 43 ALA CB C 43 19.910 19.910 18.572 1.338 18887 2658 1 5 . 1 1 43 43 ALA H H 43 8.730 8.730 8.061 0.669 18887 2659 1 5 . 1 1 44 44 THR N N 44 122.380 122.380 111.846 10.534 18887 2660 1 5 . 1 1 44 44 THR HA H 44 4.390 4.390 4.036 0.354 18887 2661 1 5 . 1 1 44 44 THR C C 44 174.260 174.260 174.377 -0.117 18887 2662 1 5 . 1 1 44 44 THR CA C 44 62.190 62.190 63.050 -0.860 18887 2663 1 5 . 1 1 44 44 THR CB C 44 70.080 70.080 67.733 2.348 18887 2664 1 5 . 1 1 44 44 THR H H 44 7.950 7.950 8.304 -0.354 18887 2665 1 5 . 1 1 45 45 GLY N N 45 109.360 109.360 109.763 -0.403 18887 2666 1 5 . 1 1 45 45 GLY C C 45 172.380 172.380 173.056 -0.676 18887 2667 1 5 . 1 1 45 45 GLY CA C 45 45.510 45.510 44.491 1.019 18887 2668 1 5 . 1 1 45 45 GLY H H 45 7.560 7.560 7.821 -0.261 18887 2669 1 5 . 1 1 46 46 ILE N N 46 122.050 122.050 126.135 -4.085 18887 2670 1 5 . 1 1 46 46 ILE HA H 46 4.780 4.780 4.422 0.358 18887 2671 1 5 . 1 1 46 46 ILE C C 46 176.010 176.010 175.526 0.484 18887 2672 1 5 . 1 1 46 46 ILE CA C 46 61.950 61.950 59.172 2.778 18887 2673 1 5 . 1 1 46 46 ILE CB C 46 40.810 40.810 37.314 3.496 18887 2674 1 5 . 1 1 46 46 ILE H H 46 8.480 8.480 8.495 -0.015 18887 2675 1 5 . 1 1 47 47 GLU N N 47 109.160 109.160 127.350 -18.190 18887 2676 1 5 . 1 1 47 47 GLU HA H 47 4.660 4.660 4.543 0.117 18887 2677 1 5 . 1 1 47 47 GLU C C 47 174.750 174.750 175.502 -0.752 18887 2678 1 5 . 1 1 47 47 GLU CA C 47 55.940 55.940 54.884 1.056 18887 2679 1 5 . 1 1 47 47 GLU CB C 47 33.640 33.640 32.343 1.297 18887 2680 1 5 . 1 1 47 47 GLU H H 47 9.000 9.000 8.570 0.430 18887 2681 1 5 . 1 1 48 48 ASN N N 48 120.510 120.510 120.747 -0.237 18887 2682 1 5 . 1 1 48 48 ASN HA H 48 4.230 4.230 4.323 -0.093 18887 2683 1 5 . 1 1 48 48 ASN C C 48 173.090 173.090 173.590 -0.500 18887 2684 1 5 . 1 1 48 48 ASN CA C 48 54.770 54.770 53.271 1.499 18887 2685 1 5 . 1 1 48 48 ASN CB C 48 38.800 38.800 38.311 0.489 18887 2686 1 5 . 1 1 48 48 ASN H H 48 8.930 8.930 8.859 0.071 18887 2687 1 5 . 1 1 49 49 GLU N N 49 114.160 114.160 118.811 -4.651 18887 2688 1 5 . 1 1 49 49 GLU HA H 49 3.890 3.890 4.254 -0.364 18887 2689 1 5 . 1 1 49 49 GLU C C 49 177.780 177.780 176.091 1.689 18887 2690 1 5 . 1 1 49 49 GLU CA C 49 57.870 57.870 56.445 1.425 18887 2691 1 5 . 1 1 49 49 GLU CB C 49 31.900 31.900 29.969 1.931 18887 2692 1 5 . 1 1 49 49 GLU H H 49 7.690 7.690 8.274 -0.584 18887 2693 1 5 . 1 1 50 50 LEU N N 50 109.440 109.440 129.946 -20.506 18887 2694 1 5 . 1 1 50 50 LEU HA H 50 4.680 4.680 4.501 0.179 18887 2695 1 5 . 1 1 50 50 LEU C C 50 177.490 177.490 175.713 1.777 18887 2696 1 5 . 1 1 50 50 LEU CA C 50 55.520 55.520 54.284 1.236 18887 2697 1 5 . 1 1 50 50 LEU CB C 50 43.440 43.440 42.078 1.363 18887 2698 1 5 . 1 1 50 50 LEU H H 50 9.560 9.560 9.587 -0.027 18887 2699 1 5 . 1 1 51 51 THR N N 51 117.490 117.490 121.074 -3.584 18887 2700 1 5 . 1 1 51 51 THR HA H 51 4.420 4.420 4.376 0.044 18887 2701 1 5 . 1 1 51 51 THR C C 51 175.010 175.010 175.653 -0.643 18887 2702 1 5 . 1 1 51 51 THR CA C 51 61.230 61.230 60.817 0.413 18887 2703 1 5 . 1 1 51 51 THR CB C 51 72.860 72.860 70.439 2.421 18887 2704 1 5 . 1 1 51 51 THR H H 51 9.380 9.380 8.025 1.355 18887 2705 1 5 . 1 1 52 52 GLU N N 52 120.490 120.490 122.645 -2.155 18887 2706 1 5 . 1 1 52 52 GLU HA H 52 3.860 3.860 3.820 0.040 18887 2707 1 5 . 1 1 52 52 GLU C C 52 178.660 178.660 178.515 0.145 18887 2708 1 5 . 1 1 52 52 GLU CA C 52 61.130 61.130 60.192 0.938 18887 2709 1 5 . 1 1 52 52 GLU CB C 52 30.280 30.280 29.472 0.808 18887 2710 1 5 . 1 1 52 52 GLU H H 52 8.910 8.910 8.886 0.024 18887 2711 1 5 . 1 1 53 53 LYS N N 53 118.660 118.660 118.528 0.132 18887 2712 1 5 . 1 1 53 53 LYS HA H 53 4.020 4.020 4.017 0.003 18887 2713 1 5 . 1 1 53 53 LYS C C 53 178.190 178.190 179.008 -0.818 18887 2714 1 5 . 1 1 53 53 LYS CA C 53 60.390 60.390 58.963 1.427 18887 2715 1 5 . 1 1 53 53 LYS CB C 53 33.210 33.210 31.750 1.460 18887 2716 1 5 . 1 1 53 53 LYS H H 53 7.890 7.890 8.009 -0.119 18887 2717 1 5 . 1 1 54 54 ASP N N 54 118.400 118.400 120.250 -1.850 18887 2718 1 5 . 1 1 54 54 ASP HA H 54 4.200 4.200 4.451 -0.251 18887 2719 1 5 . 1 1 54 54 ASP C C 54 169.070 169.070 178.730 -9.660 18887 2720 1 5 . 1 1 54 54 ASP CA C 54 58.300 58.300 57.464 0.836 18887 2721 1 5 . 1 1 54 54 ASP CB C 54 43.110 43.110 40.862 2.248 18887 2722 1 5 . 1 1 54 54 ASP H H 54 7.440 7.440 7.679 -0.239 18887 2723 1 5 . 1 1 55 55 VAL N N 55 118.420 118.420 119.790 -1.370 18887 2724 1 5 . 1 1 55 55 VAL HA H 55 3.520 3.520 3.622 -0.102 18887 2725 1 5 . 1 1 55 55 VAL C C 55 176.980 176.980 177.019 -0.039 18887 2726 1 5 . 1 1 55 55 VAL CA C 55 66.950 66.950 66.462 0.488 18887 2727 1 5 . 1 1 55 55 VAL CB C 55 32.360 32.360 31.683 0.677 18887 2728 1 5 . 1 1 55 55 VAL H H 55 8.150 8.150 7.918 0.232 18887 2729 1 5 . 1 1 56 56 ASN N N 56 117.100 117.100 116.149 0.951 18887 2730 1 5 . 1 1 56 56 ASN HA H 56 4.410 4.410 4.521 -0.111 18887 2731 1 5 . 1 1 56 56 ASN C C 56 177.330 177.330 177.506 -0.176 18887 2732 1 5 . 1 1 56 56 ASN CA C 56 57.170 57.170 55.734 1.436 18887 2733 1 5 . 1 1 56 56 ASN CB C 56 39.930 39.930 38.927 1.003 18887 2734 1 5 . 1 1 56 56 ASN H H 56 8.000 8.000 8.163 -0.163 18887 2735 1 5 . 1 1 57 57 ILE N N 57 115.580 115.580 118.825 -3.245 18887 2736 1 5 . 1 1 57 57 ILE HA H 57 3.950 3.950 4.045 -0.095 18887 2737 1 5 . 1 1 57 57 ILE C C 57 176.980 176.980 177.255 -0.275 18887 2738 1 5 . 1 1 57 57 ILE CA C 57 63.240 63.240 62.456 0.784 18887 2739 1 5 . 1 1 57 57 ILE CB C 57 39.890 39.890 38.035 1.855 18887 2740 1 5 . 1 1 57 57 ILE H H 57 7.600 7.600 7.591 0.009 18887 2741 1 5 . 1 1 58 58 GLY N N 58 124.080 124.080 106.670 17.410 18887 2742 1 5 . 1 1 58 58 GLY C C 58 173.190 173.190 174.683 -1.493 18887 2743 1 5 . 1 1 58 58 GLY CA C 58 47.110 47.110 45.005 2.105 18887 2744 1 5 . 1 1 58 58 GLY H H 58 7.630 7.630 8.147 -0.517 18887 2745 1 5 . 1 1 59 59 GLU N N 59 123.240 123.240 124.447 -1.207 18887 2746 1 5 . 1 1 59 59 GLU HA H 59 4.240 4.240 4.420 -0.180 18887 2747 1 5 . 1 1 59 59 GLU C C 59 176.750 176.750 176.149 0.601 18887 2748 1 5 . 1 1 59 59 GLU CA C 59 59.830 59.830 57.788 2.042 18887 2749 1 5 . 1 1 59 59 GLU CB C 59 33.100 33.100 30.755 2.345 18887 2750 1 5 . 1 1 59 59 GLU H H 59 9.350 9.350 8.636 0.714 18887 2751 1 5 . 1 1 60 60 VAL N N 60 114.370 114.370 114.869 -0.499 18887 2752 1 5 . 1 1 60 60 VAL HA H 60 4.410 4.410 5.138 -0.728 18887 2753 1 5 . 1 1 60 60 VAL C C 60 170.270 170.270 174.617 -4.347 18887 2754 1 5 . 1 1 60 60 VAL CA C 60 60.710 60.710 59.765 0.945 18887 2755 1 5 . 1 1 60 60 VAL CB C 60 35.150 35.150 33.390 1.760 18887 2756 1 5 . 1 1 60 60 VAL H H 60 7.640 7.640 7.269 0.371 18887 2757 1 5 . 1 1 61 61 VAL N N 61 125.780 125.780 125.208 0.572 18887 2758 1 5 . 1 1 61 61 VAL HA H 61 4.970 4.970 5.170 -0.200 18887 2759 1 5 . 1 1 61 61 VAL C C 61 174.450 174.450 175.190 -0.740 18887 2760 1 5 . 1 1 61 61 VAL CA C 61 60.260 60.260 59.687 0.573 18887 2761 1 5 . 1 1 61 61 VAL CB C 61 34.710 34.710 33.749 0.961 18887 2762 1 5 . 1 1 61 61 VAL H H 61 8.290 8.290 9.030 -0.740 18887 2763 1 5 . 1 1 62 62 ILE N N 62 124.740 124.740 126.050 -1.310 18887 2764 1 5 . 1 1 62 62 ILE HA H 62 4.820 4.820 4.505 0.315 18887 2765 1 5 . 1 1 62 62 ILE C C 62 175.020 175.020 174.388 0.632 18887 2766 1 5 . 1 1 62 62 ILE CA C 62 60.490 60.490 60.251 0.239 18887 2767 1 5 . 1 1 62 62 ILE CB C 62 42.560 42.560 39.656 2.904 18887 2768 1 5 . 1 1 62 62 ILE H H 62 8.580 8.580 8.554 0.026 18887 2769 1 5 . 1 1 63 63 PHE N N 63 109.510 109.510 127.264 -17.754 18887 2770 1 5 . 1 1 63 63 PHE HA H 63 5.490 5.490 5.060 0.430 18887 2771 1 5 . 1 1 63 63 PHE C C 63 173.600 173.600 174.448 -0.848 18887 2772 1 5 . 1 1 63 63 PHE CA C 63 53.020 53.020 55.743 -2.723 18887 2773 1 5 . 1 1 63 63 PHE CB C 63 40.150 40.150 39.742 0.408 18887 2774 1 5 . 1 1 63 63 PHE H H 63 9.320 9.320 9.384 -0.064 18887 2775 1 5 . 1 1 64 64 ALA N N 64 112.790 112.790 128.934 -16.144 18887 2776 1 5 . 1 1 64 64 ALA HA H 64 5.430 5.430 5.323 0.107 18887 2777 1 5 . 1 1 64 64 ALA C C 64 175.040 175.040 176.517 -1.477 18887 2778 1 5 . 1 1 64 64 ALA CA C 64 50.740 50.740 50.552 0.188 18887 2779 1 5 . 1 1 64 64 ALA CB C 64 19.690 19.690 18.780 0.910 18887 2780 1 5 . 1 1 64 64 ALA H H 64 8.840 8.840 8.424 0.416 18887 2781 1 5 . 1 1 65 65 VAL N N 65 110.260 110.260 119.195 -8.935 18887 2782 1 5 . 1 1 65 65 VAL HA H 65 5.690 5.690 4.704 0.986 18887 2783 1 5 . 1 1 65 65 VAL C C 65 175.380 175.380 173.956 1.424 18887 2784 1 5 . 1 1 65 65 VAL CA C 65 59.060 59.060 60.331 -1.272 18887 2785 1 5 . 1 1 65 65 VAL CB C 65 38.800 38.800 35.229 3.571 18887 2786 1 5 . 1 1 65 65 VAL H H 65 8.080 8.080 8.114 -0.034 18887 2787 1 5 . 1 1 66 66 ASP N N 66 119.250 119.250 118.083 1.167 18887 2788 1 5 . 1 1 66 66 ASP HA H 66 4.870 4.870 4.806 0.064 18887 2789 1 5 . 1 1 66 66 ASP C C 66 175.600 175.600 175.790 -0.190 18887 2790 1 5 . 1 1 66 66 ASP CA C 66 53.780 53.780 55.199 -1.419 18887 2791 1 5 . 1 1 66 66 ASP CB C 66 42.910 42.910 43.860 -0.950 18887 2792 1 5 . 1 1 66 66 ASP H H 66 7.760 7.760 8.881 -1.121 18887 2793 1 5 . 1 1 67 67 THR N N 67 112.330 112.330 115.143 -2.813 18887 2794 1 5 . 1 1 67 67 THR HA H 67 4.510 4.510 4.489 0.021 18887 2795 1 5 . 1 1 67 67 THR C C 67 172.370 172.370 173.533 -1.163 18887 2796 1 5 . 1 1 67 67 THR CA C 67 59.650 59.650 60.726 -1.076 18887 2797 1 5 . 1 1 67 67 THR CB C 67 70.230 70.230 70.134 0.096 18887 2798 1 5 . 1 1 67 67 THR H H 67 7.070 7.070 8.037 -0.967 18887 2799 1 5 . 1 1 68 68 LYS N N 68 121.380 121.380 121.308 0.072 18887 2800 1 5 . 1 1 68 68 LYS HA H 68 4.080 4.080 4.350 -0.270 18887 2801 1 5 . 1 1 68 68 LYS C C 68 176.250 176.250 175.451 0.799 18887 2802 1 5 . 1 1 68 68 LYS CA C 68 57.470 57.470 55.807 1.663 18887 2803 1 5 . 1 1 68 68 LYS CB C 68 34.020 34.020 32.977 1.043 18887 2804 1 5 . 1 1 68 68 LYS H H 68 7.540 7.540 8.198 -0.658 18887 2805 1 5 . 1 1 69 69 VAL N N 69 125.310 125.310 120.473 4.837 18887 2806 1 5 . 1 1 69 69 VAL HA H 69 3.320 3.320 4.412 -1.092 18887 2807 1 5 . 1 1 69 69 VAL C C 69 175.890 175.890 175.771 0.119 18887 2808 1 5 . 1 1 69 69 VAL CA C 69 64.110 64.110 61.153 2.957 18887 2809 1 5 . 1 1 69 69 VAL CB C 69 33.810 33.810 33.118 0.692 18887 2810 1 5 . 1 1 69 69 VAL H H 69 8.320 8.320 8.021 0.299 18887 2811 1 5 . 1 1 70 70 ARG N N 70 111.240 111.240 128.914 -17.674 18887 2812 1 5 . 1 1 70 70 ARG HA H 70 4.160 4.160 4.175 -0.015 18887 2813 1 5 . 1 1 70 70 ARG C C 70 177.030 177.030 177.273 -0.243 18887 2814 1 5 . 1 1 70 70 ARG CA C 70 57.630 57.630 59.072 -1.442 18887 2815 1 5 . 1 1 70 70 ARG CB C 70 31.440 31.440 31.026 0.414 18887 2816 1 5 . 1 1 70 70 ARG H H 70 9.580 9.580 9.614 -0.034 18887 2817 1 5 . 1 1 71 71 ASN N N 71 120.660 120.660 117.204 3.456 18887 2818 1 5 . 1 1 71 71 ASN HA H 71 4.670 4.670 4.715 -0.045 18887 2819 1 5 . 1 1 71 71 ASN C C 71 177.530 177.530 176.964 0.566 18887 2820 1 5 . 1 1 71 71 ASN CA C 71 54.770 54.770 54.988 -0.218 18887 2821 1 5 . 1 1 71 71 ASN CB C 71 37.130 37.130 37.793 -0.663 18887 2822 1 5 . 1 1 71 71 ASN H H 71 9.170 9.170 8.745 0.425 18887 2823 1 5 . 1 1 72 72 LYS N N 72 120.730 120.730 120.854 -0.124 18887 2824 1 5 . 1 1 72 72 LYS HA H 72 4.010 4.010 4.602 -0.592 18887 2825 1 5 . 1 1 72 72 LYS C C 72 177.790 177.790 178.011 -0.221 18887 2826 1 5 . 1 1 72 72 LYS CA C 72 59.910 59.910 59.214 0.696 18887 2827 1 5 . 1 1 72 72 LYS CB C 72 33.260 33.260 31.093 2.167 18887 2828 1 5 . 1 1 72 72 LYS H H 72 8.400 8.400 8.370 0.030 18887 2829 1 5 . 1 1 73 73 GLU N N 73 122.670 122.670 118.425 4.245 18887 2830 1 5 . 1 1 73 73 GLU HA H 73 4.160 4.160 3.913 0.247 18887 2831 1 5 . 1 1 73 73 GLU C C 73 177.620 177.620 177.715 -0.095 18887 2832 1 5 . 1 1 73 73 GLU CA C 73 60.380 60.380 59.075 1.305 18887 2833 1 5 . 1 1 73 73 GLU CB C 73 28.660 28.660 28.940 -0.280 18887 2834 1 5 . 1 1 73 73 GLU H H 73 9.960 9.960 7.857 2.103 18887 2835 1 5 . 1 1 74 74 ARG N N 74 117.370 117.370 117.429 -0.059 18887 2836 1 5 . 1 1 74 74 ARG HA H 74 3.770 3.770 4.085 -0.315 18887 2837 1 5 . 1 1 74 74 ARG C C 74 177.380 177.380 177.127 0.253 18887 2838 1 5 . 1 1 74 74 ARG CA C 74 59.010 59.010 57.540 1.470 18887 2839 1 5 . 1 1 74 74 ARG CB C 74 32.720 32.720 30.233 2.487 18887 2840 1 5 . 1 1 74 74 ARG H H 74 6.830 6.830 7.785 -0.955 18887 2841 1 5 . 1 1 75 75 PHE N N 75 112.920 112.920 117.388 -4.468 18887 2842 1 5 . 1 1 75 75 PHE HA H 75 4.280 4.280 4.517 -0.237 18887 2843 1 5 . 1 1 75 75 PHE C C 75 174.870 174.870 175.904 -1.034 18887 2844 1 5 . 1 1 75 75 PHE CA C 75 57.370 57.370 59.207 -1.837 18887 2845 1 5 . 1 1 75 75 PHE CB C 75 39.380 39.380 39.180 0.200 18887 2846 1 5 . 1 1 75 75 PHE H H 75 7.670 7.670 7.157 0.513 18887 2847 1 5 . 1 1 76 76 ASP N N 76 121.780 121.780 119.308 2.472 18887 2848 1 5 . 1 1 76 76 ASP HA H 76 4.380 4.380 4.512 -0.132 18887 2849 1 5 . 1 1 76 76 ASP C C 76 177.380 177.380 177.129 0.251 18887 2850 1 5 . 1 1 76 76 ASP CA C 76 57.700 57.700 56.284 1.416 18887 2851 1 5 . 1 1 76 76 ASP CB C 76 41.270 41.270 41.245 0.025 18887 2852 1 5 . 1 1 76 76 ASP H H 76 7.210 7.210 8.221 -1.011 18887 2853 1 5 . 1 1 77 77 GLY N N 77 111.910 111.910 111.112 0.798 18887 2854 1 5 . 1 1 77 77 GLY C C 77 174.310 174.310 174.290 0.020 18887 2855 1 5 . 1 1 77 77 GLY CA C 77 46.290 46.290 44.970 1.320 18887 2856 1 5 . 1 1 77 77 GLY H H 77 8.920 8.920 8.438 0.482 18887 2857 1 5 . 1 1 78 78 LYS N N 78 117.910 117.910 120.120 -2.210 18887 2858 1 5 . 1 1 78 78 LYS HA H 78 4.540 4.540 4.934 -0.394 18887 2859 1 5 . 1 1 78 78 LYS C C 78 175.910 175.910 175.904 0.006 18887 2860 1 5 . 1 1 78 78 LYS CA C 78 53.410 53.410 54.697 -1.287 18887 2861 1 5 . 1 1 78 78 LYS CB C 78 32.780 32.780 34.830 -2.050 18887 2862 1 5 . 1 1 78 78 LYS H H 78 7.700 7.700 7.858 -0.158 18887 2863 1 5 . 1 1 79 79 VAL N N 79 124.500 124.500 122.452 2.048 18887 2864 1 5 . 1 1 79 79 VAL HA H 79 3.850 3.850 4.352 -0.502 18887 2865 1 5 . 1 1 79 79 VAL C C 79 174.140 174.140 174.754 -0.614 18887 2866 1 5 . 1 1 79 79 VAL CA C 79 64.810 64.810 61.841 2.969 18887 2867 1 5 . 1 1 79 79 VAL CB C 79 32.390 32.390 30.677 1.713 18887 2868 1 5 . 1 1 79 79 VAL H H 79 8.890 8.890 8.594 0.296 18887 2869 1 5 . 1 1 80 80 VAL N N 80 125.810 125.810 123.045 2.765 18887 2870 1 5 . 1 1 80 80 VAL HA H 80 4.690 4.690 5.251 -0.561 18887 2871 1 5 . 1 1 80 80 VAL C C 80 175.270 175.270 174.444 0.826 18887 2872 1 5 . 1 1 80 80 VAL CA C 80 60.670 60.670 58.836 1.834 18887 2873 1 5 . 1 1 80 80 VAL CB C 80 35.970 35.970 35.324 0.646 18887 2874 1 5 . 1 1 80 80 VAL H H 80 7.860 7.860 8.083 -0.223 18887 2875 1 5 . 1 1 81 81 LEU N N 81 110.550 110.550 124.519 -13.969 18887 2876 1 5 . 1 1 81 81 LEU HA H 81 4.490 4.490 4.796 -0.306 18887 2877 1 5 . 1 1 81 81 LEU C C 81 173.930 173.930 175.008 -1.078 18887 2878 1 5 . 1 1 81 81 LEU CA C 81 54.410 54.410 54.195 0.215 18887 2879 1 5 . 1 1 81 81 LEU CB C 81 45.100 45.100 46.120 -1.020 18887 2880 1 5 . 1 1 81 81 LEU H H 81 8.790 8.790 9.154 -0.364 18887 2881 1 5 . 1 1 82 82 GLU N N 82 111.070 111.070 127.724 -16.654 18887 2882 1 5 . 1 1 82 82 GLU HA H 82 5.460 5.460 5.002 0.458 18887 2883 1 5 . 1 1 82 82 GLU C C 82 175.440 175.440 175.461 -0.021 18887 2884 1 5 . 1 1 82 82 GLU CA C 82 56.010 56.010 55.148 0.862 18887 2885 1 5 . 1 1 82 82 GLU CB C 82 32.100 32.100 30.837 1.263 18887 2886 1 5 . 1 1 82 82 GLU H H 82 8.750 8.750 8.739 0.011 18887 2887 1 5 . 1 1 83 83 VAL N N 83 119.980 119.980 121.608 -1.628 18887 2888 1 5 . 1 1 83 83 VAL HA H 83 4.950 4.950 4.753 0.197 18887 2889 1 5 . 1 1 83 83 VAL C C 83 172.120 172.120 173.195 -1.075 18887 2890 1 5 . 1 1 83 83 VAL CA C 83 58.760 58.760 57.980 0.780 18887 2891 1 5 . 1 1 83 83 VAL CB C 83 34.570 34.570 33.438 1.132 18887 2892 1 5 . 1 1 83 83 VAL H H 83 9.390 9.390 8.693 0.697 18887 2893 1 5 . 1 1 84 84 PRO HA H 84 4.740 4.740 4.746 -0.006 18887 2894 1 5 . 1 1 84 84 PRO C C 84 178.300 178.300 178.167 0.133 18887 2895 1 5 . 1 1 84 84 PRO CA C 84 63.330 63.330 62.549 0.781 18887 2896 1 5 . 1 1 84 84 PRO CB C 84 33.430 33.430 32.077 1.353 18887 2897 1 5 . 1 1 85 85 VAL N N 85 122.390 122.390 123.720 -1.330 18887 2898 1 5 . 1 1 85 85 VAL HA H 85 3.320 3.320 3.805 -0.485 18887 2899 1 5 . 1 1 85 85 VAL C C 85 174.190 174.190 176.585 -2.395 18887 2900 1 5 . 1 1 85 85 VAL CA C 85 66.540 66.540 64.569 1.971 18887 2901 1 5 . 1 1 85 85 VAL CB C 85 32.970 32.970 31.945 1.025 18887 2902 1 5 . 1 1 85 85 VAL H H 85 7.240 7.240 8.202 -0.962 18887 2903 1 5 . 1 1 86 86 SER N N 86 125.590 125.590 113.603 11.987 18887 2904 1 5 . 1 1 86 86 SER HA H 86 4.020 4.020 4.303 -0.283 18887 2905 1 5 . 1 1 86 86 SER C C 86 176.940 176.940 175.476 1.464 18887 2906 1 5 . 1 1 86 86 SER CA C 86 60.200 60.200 60.748 -0.548 18887 2907 1 5 . 1 1 86 86 SER CB C 86 64.060 64.060 63.242 0.818 18887 2908 1 5 . 1 1 86 86 SER H H 86 7.600 7.600 8.359 -0.759 18887 2909 1 5 . 1 1 87 87 ALA N N 87 125.200 125.200 124.329 0.871 18887 2910 1 5 . 1 1 87 87 ALA HA H 87 4.280 4.280 4.271 0.009 18887 2911 1 5 . 1 1 87 87 ALA C C 87 177.370 177.370 176.117 1.253 18887 2912 1 5 . 1 1 87 87 ALA CA C 87 57.600 57.600 56.213 1.387 18887 2913 1 5 . 1 1 87 87 ALA CB C 87 16.620 16.620 16.674 -0.054 18887 2914 1 5 . 1 1 87 87 ALA H H 87 7.870 7.870 7.671 0.199 18887 2915 1 5 . 1 1 88 88 PRO HA H 88 4.000 4.000 4.342 -0.342 18887 2916 1 5 . 1 1 88 88 PRO C C 88 175.090 175.090 176.854 -1.764 18887 2917 1 5 . 1 1 88 88 PRO CA C 88 65.410 65.410 64.501 0.909 18887 2918 1 5 . 1 1 88 88 PRO CB C 88 32.130 32.130 31.034 1.096 18887 2919 1 5 . 1 1 89 89 ILE N N 89 114.700 114.700 117.281 -2.581 18887 2920 1 5 . 1 1 89 89 ILE HA H 89 3.310 3.310 3.866 -0.556 18887 2921 1 5 . 1 1 89 89 ILE C C 89 177.850 177.850 177.501 0.349 18887 2922 1 5 . 1 1 89 89 ILE CA C 89 66.320 66.320 64.038 2.282 18887 2923 1 5 . 1 1 89 89 ILE CB C 89 38.790 38.790 37.954 0.836 18887 2924 1 5 . 1 1 89 89 ILE H H 89 6.300 6.300 7.354 -1.054 18887 2925 1 5 . 1 1 90 90 LYS N N 90 118.530 118.530 118.769 -0.239 18887 2926 1 5 . 1 1 90 90 LYS HA H 90 4.060 4.060 4.307 -0.247 18887 2927 1 5 . 1 1 90 90 LYS C C 90 177.390 177.390 178.196 -0.806 18887 2928 1 5 . 1 1 90 90 LYS CA C 90 59.710 59.710 57.942 1.768 18887 2929 1 5 . 1 1 90 90 LYS CB C 90 33.940 33.940 33.880 0.060 18887 2930 1 5 . 1 1 90 90 LYS H H 90 7.440 7.440 7.574 -0.134 18887 2931 1 5 . 1 1 91 91 ASP N N 91 114.670 114.670 121.995 -7.325 18887 2932 1 5 . 1 1 91 91 ASP HA H 91 4.530 4.530 4.798 -0.268 18887 2933 1 5 . 1 1 91 91 ASP C C 91 174.350 174.350 175.671 -1.321 18887 2934 1 5 . 1 1 91 91 ASP CA C 91 55.120 55.120 54.255 0.865 18887 2935 1 5 . 1 1 91 91 ASP CB C 91 41.530 41.530 39.952 1.578 18887 2936 1 5 . 1 1 91 91 ASP H H 91 7.700 7.700 8.185 -0.485 18887 2937 1 5 . 1 1 92 92 ALA N N 92 111.350 111.350 123.236 -11.886 18887 2938 1 5 . 1 1 92 92 ALA HA H 92 3.830 3.830 3.971 -0.141 18887 2939 1 5 . 1 1 92 92 ALA C C 92 169.330 169.330 179.168 -9.838 18887 2940 1 5 . 1 1 92 92 ALA CA C 92 57.220 57.220 55.668 1.552 18887 2941 1 5 . 1 1 92 92 ALA CB C 92 20.700 20.700 18.602 2.098 18887 2942 1 5 . 1 1 92 92 ALA H H 92 8.860 8.860 7.597 1.263 18887 2943 1 5 . 1 1 93 93 GLU N N 93 117.860 117.860 116.735 1.125 18887 2944 1 5 . 1 1 93 93 GLU HA H 93 3.860 3.860 3.950 -0.090 18887 2945 1 5 . 1 1 93 93 GLU C C 93 177.970 177.970 178.844 -0.874 18887 2946 1 5 . 1 1 93 93 GLU CA C 93 61.240 61.240 59.114 2.126 18887 2947 1 5 . 1 1 93 93 GLU CB C 93 30.570 30.570 28.860 1.710 18887 2948 1 5 . 1 1 93 93 GLU H H 93 8.520 8.520 8.852 -0.332 18887 2949 1 5 . 1 1 94 94 LYS N N 94 119.790 119.790 120.367 -0.577 18887 2950 1 5 . 1 1 94 94 LYS HA H 94 3.930 3.930 4.149 -0.219 18887 2951 1 5 . 1 1 94 94 LYS C C 94 169.840 169.840 179.107 -9.267 18887 2952 1 5 . 1 1 94 94 LYS CA C 94 60.600 60.600 58.923 1.677 18887 2953 1 5 . 1 1 94 94 LYS CB C 94 33.550 33.550 32.364 1.187 18887 2954 1 5 . 1 1 94 94 LYS H H 94 7.670 7.670 7.354 0.316 18887 2955 1 5 . 1 1 95 95 VAL N N 95 118.850 118.850 120.358 -1.508 18887 2956 1 5 . 1 1 95 95 VAL HA H 95 3.590 3.590 3.601 -0.011 18887 2957 1 5 . 1 1 95 95 VAL C C 95 176.620 176.620 178.092 -1.472 18887 2958 1 5 . 1 1 95 95 VAL CA C 95 67.220 67.220 66.533 0.687 18887 2959 1 5 . 1 1 95 95 VAL CB C 95 32.880 32.880 31.743 1.137 18887 2960 1 5 . 1 1 95 95 VAL H H 95 7.150 7.150 8.181 -1.031 18887 2961 1 5 . 1 1 96 96 ILE N N 96 119.120 119.120 120.275 -1.155 18887 2962 1 5 . 1 1 96 96 ILE HA H 96 3.380 3.380 3.537 -0.157 18887 2963 1 5 . 1 1 96 96 ILE C C 96 177.750 177.750 178.003 -0.253 18887 2964 1 5 . 1 1 96 96 ILE CA C 96 67.190 67.190 65.676 1.514 18887 2965 1 5 . 1 1 96 96 ILE CB C 96 38.440 38.440 37.451 0.989 18887 2966 1 5 . 1 1 96 96 ILE H H 96 8.380 8.380 8.235 0.145 18887 2967 1 5 . 1 1 97 97 ASN N N 97 117.000 117.000 118.033 -1.033 18887 2968 1 5 . 1 1 97 97 ASN HA H 97 4.420 4.420 4.462 -0.042 18887 2969 1 5 . 1 1 97 97 ASN C C 97 178.380 178.380 177.673 0.707 18887 2970 1 5 . 1 1 97 97 ASN CA C 97 57.430 57.430 56.521 0.909 18887 2971 1 5 . 1 1 97 97 ASN CB C 97 39.030 39.030 38.471 0.559 18887 2972 1 5 . 1 1 97 97 ASN H H 97 8.730 8.730 8.206 0.524 18887 2973 1 5 . 1 1 98 98 ALA N N 98 123.790 123.790 122.871 0.919 18887 2974 1 5 . 1 1 98 98 ALA HA H 98 4.100 4.100 4.151 -0.051 18887 2975 1 5 . 1 1 98 98 ALA C C 98 169.600 169.600 179.139 -9.539 18887 2976 1 5 . 1 1 98 98 ALA CA C 98 55.890 55.890 54.865 1.025 18887 2977 1 5 . 1 1 98 98 ALA CB C 98 18.850 18.850 18.210 0.640 18887 2978 1 5 . 1 1 98 98 ALA H H 98 7.950 7.950 8.138 -0.188 18887 2979 1 5 . 1 1 99 99 ALA N N 99 122.120 122.120 120.949 1.171 18887 2980 1 5 . 1 1 99 99 ALA HA H 99 3.930 3.930 4.024 -0.094 18887 2981 1 5 . 1 1 99 99 ALA C C 99 178.700 178.700 180.090 -1.390 18887 2982 1 5 . 1 1 99 99 ALA CA C 99 55.920 55.920 54.685 1.235 18887 2983 1 5 . 1 1 99 99 ALA CB C 99 18.960 18.960 18.552 0.408 18887 2984 1 5 . 1 1 99 99 ALA H H 99 7.930 7.930 7.653 0.277 18887 2985 1 5 . 1 1 100 100 LEU N N 100 115.870 115.870 118.970 -3.100 18887 2986 1 5 . 1 1 100 100 LEU HA H 100 3.900 3.900 4.050 -0.150 18887 2987 1 5 . 1 1 100 100 LEU C C 100 169.150 169.150 178.637 -9.487 18887 2988 1 5 . 1 1 100 100 LEU CA C 100 58.140 58.140 57.260 0.880 18887 2989 1 5 . 1 1 100 100 LEU CB C 100 41.730 41.730 41.556 0.174 18887 2990 1 5 . 1 1 100 100 LEU H H 100 8.220 8.220 7.734 0.486 18887 2991 1 5 . 1 1 101 101 ALA N N 101 120.410 120.410 121.265 -0.855 18887 2992 1 5 . 1 1 101 101 ALA HA H 101 4.100 4.100 4.131 -0.031 18887 2993 1 5 . 1 1 101 101 ALA C C 101 169.730 169.730 179.446 -9.716 18887 2994 1 5 . 1 1 101 101 ALA CA C 101 55.680 55.680 54.835 0.845 18887 2995 1 5 . 1 1 101 101 ALA CB C 101 18.860 18.860 18.063 0.797 18887 2996 1 5 . 1 1 101 101 ALA H H 101 7.970 7.970 8.181 -0.211 18887 2997 1 5 . 1 1 102 102 LEU N N 102 115.090 115.090 117.735 -2.645 18887 2998 1 5 . 1 1 102 102 LEU HA H 102 4.120 4.120 4.138 -0.018 18887 2999 1 5 . 1 1 102 102 LEU C C 102 169.060 169.060 177.763 -8.703 18887 3000 1 5 . 1 1 102 102 LEU CA C 102 57.870 57.870 57.250 0.620 18887 3001 1 5 . 1 1 102 102 LEU CB C 102 43.730 43.730 42.092 1.638 18887 3002 1 5 . 1 1 102 102 LEU H H 102 7.330 7.330 7.582 -0.252 18887 3003 1 5 . 1 1 103 103 ILE N N 103 110.170 110.170 113.601 -3.431 18887 3004 1 5 . 1 1 103 103 ILE HA H 103 4.430 4.430 4.161 0.269 18887 3005 1 5 . 1 1 103 103 ILE C C 103 176.670 176.670 177.304 -0.634 18887 3006 1 5 . 1 1 103 103 ILE CA C 103 62.520 62.520 63.204 -0.684 18887 3007 1 5 . 1 1 103 103 ILE CB C 103 40.020 40.020 38.706 1.314 18887 3008 1 5 . 1 1 103 103 ILE H H 103 7.140 7.140 7.423 -0.283 18887 3009 1 5 . 1 1 104 104 ASP N N 104 122.560 122.560 119.387 3.173 18887 3010 1 5 . 1 1 104 104 ASP HA H 104 4.650 4.650 4.633 0.017 18887 3011 1 5 . 1 1 104 104 ASP C C 104 176.670 176.670 176.232 0.438 18887 3012 1 5 . 1 1 104 104 ASP CA C 104 56.220 56.220 55.965 0.255 18887 3013 1 5 . 1 1 104 104 ASP CB C 104 42.080 42.080 41.664 0.416 18887 3014 1 5 . 1 1 104 104 ASP H H 104 8.000 8.000 8.272 -0.272 18887 3015 1 5 . 1 1 105 105 GLU N N 105 120.750 120.750 115.313 5.437 18887 3016 1 5 . 1 1 105 105 GLU HA H 105 4.300 4.300 4.056 0.244 18887 3017 1 5 . 1 1 105 105 GLU C C 105 175.470 175.470 175.449 0.021 18887 3018 1 5 . 1 1 105 105 GLU CA C 105 57.640 57.640 57.533 0.107 18887 3019 1 5 . 1 1 105 105 GLU CB C 105 30.870 30.870 27.522 3.348 18887 3020 1 5 . 1 1 105 105 GLU H H 105 8.030 8.030 7.876 0.154 18887 3021 1 6 . 1 1 2 2 LYS N N 2 120.950 120.950 117.627 3.323 18887 3022 1 6 . 1 1 2 2 LYS HA H 2 4.330 4.330 4.018 0.312 18887 3023 1 6 . 1 1 2 2 LYS C C 2 176.040 176.040 175.065 0.975 18887 3024 1 6 . 1 1 2 2 LYS CA C 2 57.850 57.850 56.653 1.198 18887 3025 1 6 . 1 1 2 2 LYS CB C 2 33.480 33.480 31.037 2.443 18887 3026 1 6 . 1 1 2 2 LYS H H 2 8.220 8.220 8.327 -0.107 18887 3027 1 6 . 1 1 3 3 ARG N N 3 120.340 120.340 119.633 0.707 18887 3028 1 6 . 1 1 3 3 ARG HA H 3 4.660 4.660 4.112 0.548 18887 3029 1 6 . 1 1 3 3 ARG C C 3 175.960 175.960 176.513 -0.553 18887 3030 1 6 . 1 1 3 3 ARG CA C 3 53.810 53.810 56.368 -2.558 18887 3031 1 6 . 1 1 3 3 ARG CB C 3 29.710 29.710 30.397 -0.687 18887 3032 1 6 . 1 1 3 3 ARG H H 3 8.220 8.220 7.935 0.285 18887 3033 1 6 . 1 1 4 4 LYS N N 4 121.540 121.540 127.023 -5.483 18887 3034 1 6 . 1 1 4 4 LYS HA H 4 4.770 4.770 4.711 0.059 18887 3035 1 6 . 1 1 4 4 LYS C C 4 174.820 174.820 175.988 -1.168 18887 3036 1 6 . 1 1 4 4 LYS CA C 4 57.230 57.230 55.812 1.418 18887 3037 1 6 . 1 1 4 4 LYS CB C 4 33.800 33.800 31.566 2.234 18887 3038 1 6 . 1 1 4 4 LYS H H 4 8.880 8.880 8.511 0.369 18887 3039 1 6 . 1 1 5 5 ILE N N 5 125.030 125.030 126.024 -0.994 18887 3040 1 6 . 1 1 5 5 ILE HA H 5 4.530 4.530 4.812 -0.282 18887 3041 1 6 . 1 1 5 5 ILE C C 5 175.420 175.420 174.497 0.923 18887 3042 1 6 . 1 1 5 5 ILE CA C 5 61.120 61.120 59.992 1.127 18887 3043 1 6 . 1 1 5 5 ILE CB C 5 41.880 41.880 41.664 0.216 18887 3044 1 6 . 1 1 5 5 ILE H H 5 8.760 8.760 9.077 -0.317 18887 3045 1 6 . 1 1 6 6 ILE N N 6 119.270 119.270 121.404 -2.134 18887 3046 1 6 . 1 1 6 6 ILE HA H 6 5.440 5.440 5.225 0.215 18887 3047 1 6 . 1 1 6 6 ILE C C 6 173.880 173.880 173.639 0.241 18887 3048 1 6 . 1 1 6 6 ILE CA C 6 60.480 60.480 58.092 2.388 18887 3049 1 6 . 1 1 6 6 ILE CB C 6 42.120 42.120 40.279 1.841 18887 3050 1 6 . 1 1 6 6 ILE H H 6 8.110 8.110 8.301 -0.191 18887 3051 1 6 . 1 1 7 7 ALA N N 7 122.330 122.330 127.615 -5.285 18887 3052 1 6 . 1 1 7 7 ALA HA H 7 5.780 5.780 4.797 0.983 18887 3053 1 6 . 1 1 7 7 ALA C C 7 173.950 173.950 174.800 -0.850 18887 3054 1 6 . 1 1 7 7 ALA CA C 7 51.280 51.280 50.608 0.672 18887 3055 1 6 . 1 1 7 7 ALA CB C 7 25.930 25.930 23.013 2.917 18887 3056 1 6 . 1 1 7 7 ALA H H 7 8.790 8.790 9.058 -0.268 18887 3057 1 6 . 1 1 8 8 VAL N N 8 119.860 119.860 122.682 -2.822 18887 3058 1 6 . 1 1 8 8 VAL HA H 8 5.190 5.190 4.668 0.522 18887 3059 1 6 . 1 1 8 8 VAL C C 8 175.590 175.590 175.134 0.456 18887 3060 1 6 . 1 1 8 8 VAL CA C 8 61.340 61.340 60.895 0.445 18887 3061 1 6 . 1 1 8 8 VAL CB C 8 36.650 36.650 34.101 2.549 18887 3062 1 6 . 1 1 8 8 VAL H H 8 8.950 8.950 8.373 0.577 18887 3063 1 6 . 1 1 9 9 THR N N 9 116.320 116.320 120.004 -3.684 18887 3064 1 6 . 1 1 9 9 THR HA H 9 5.500 5.500 5.300 0.200 18887 3065 1 6 . 1 1 9 9 THR C C 9 172.920 172.920 173.588 -0.668 18887 3066 1 6 . 1 1 9 9 THR CA C 9 59.470 59.470 59.603 -0.133 18887 3067 1 6 . 1 1 9 9 THR CB C 9 71.510 71.510 69.580 1.930 18887 3068 1 6 . 1 1 9 9 THR H H 9 8.860 8.860 8.802 0.058 18887 3069 1 6 . 1 1 10 10 ALA N N 10 121.780 121.780 128.688 -6.908 18887 3070 1 6 . 1 1 10 10 ALA HA H 10 4.800 4.800 5.457 -0.657 18887 3071 1 6 . 1 1 10 10 ALA C C 10 174.680 174.680 175.734 -1.054 18887 3072 1 6 . 1 1 10 10 ALA CA C 10 54.300 54.300 50.420 3.880 18887 3073 1 6 . 1 1 10 10 ALA CB C 10 22.940 22.940 23.376 -0.436 18887 3074 1 6 . 1 1 10 10 ALA H H 10 7.710 7.710 9.033 -1.323 18887 3075 1 6 . 1 1 11 11 CYS N N 11 121.780 121.780 119.655 2.125 18887 3076 1 6 . 1 1 11 11 CYS HA H 11 5.160 5.160 4.622 0.538 18887 3077 1 6 . 1 1 11 11 CYS C C 11 174.700 174.700 172.957 1.743 18887 3078 1 6 . 1 1 11 11 CYS CA C 11 57.150 57.150 58.679 -1.529 18887 3079 1 6 . 1 1 11 11 CYS CB C 11 30.830 30.830 31.092 -0.262 18887 3080 1 6 . 1 1 11 11 CYS H H 11 8.140 8.140 8.191 -0.051 18887 3081 1 6 . 1 1 12 12 ALA N N 12 113.900 113.900 129.503 -15.603 18887 3082 1 6 . 1 1 12 12 ALA HA H 12 4.220 4.220 4.613 -0.393 18887 3083 1 6 . 1 1 12 12 ALA C C 12 168.950 168.950 178.170 -9.220 18887 3084 1 6 . 1 1 12 12 ALA CA C 12 55.270 55.270 53.825 1.445 18887 3085 1 6 . 1 1 12 12 ALA CB C 12 20.320 20.320 19.631 0.689 18887 3086 1 6 . 1 1 12 12 ALA H H 12 10.630 10.630 9.158 1.472 18887 3087 1 6 . 1 1 13 13 THR N N 13 109.490 109.490 112.946 -3.456 18887 3088 1 6 . 1 1 13 13 THR HA H 13 4.390 4.390 4.186 0.204 18887 3089 1 6 . 1 1 13 13 THR C C 13 174.870 174.870 176.233 -1.363 18887 3090 1 6 . 1 1 13 13 THR CA C 13 62.910 62.910 64.062 -1.152 18887 3091 1 6 . 1 1 13 13 THR CB C 13 70.640 70.640 69.338 1.302 18887 3092 1 6 . 1 1 13 13 THR H H 13 8.180 8.180 8.436 -0.256 18887 3093 1 6 . 1 1 14 14 GLY N N 14 111.450 111.450 110.332 1.118 18887 3094 1 6 . 1 1 14 14 GLY C C 14 173.680 173.680 173.924 -0.244 18887 3095 1 6 . 1 1 14 14 GLY CA C 14 47.050 47.050 44.197 2.853 18887 3096 1 6 . 1 1 14 14 GLY H H 14 7.880 7.880 7.790 0.090 18887 3097 1 6 . 1 1 15 15 VAL N N 15 119.530 119.530 125.941 -6.411 18887 3098 1 6 . 1 1 15 15 VAL HA H 15 4.110 4.110 3.681 0.429 18887 3099 1 6 . 1 1 15 15 VAL C C 15 176.860 176.860 177.878 -1.018 18887 3100 1 6 . 1 1 15 15 VAL CA C 15 64.740 64.740 65.461 -0.721 18887 3101 1 6 . 1 1 15 15 VAL CB C 15 33.690 33.690 31.645 2.045 18887 3102 1 6 . 1 1 15 15 VAL H H 15 8.250 8.250 8.476 -0.226 18887 3103 1 6 . 1 1 16 16 ALA N N 16 123.230 123.230 120.186 3.044 18887 3104 1 6 . 1 1 16 16 ALA HA H 16 4.230 4.230 4.103 0.127 18887 3105 1 6 . 1 1 16 16 ALA C C 16 170.610 170.610 179.135 -8.525 18887 3106 1 6 . 1 1 16 16 ALA CA C 16 56.280 56.280 54.602 1.678 18887 3107 1 6 . 1 1 16 16 ALA CB C 16 19.320 19.320 18.312 1.008 18887 3108 1 6 . 1 1 16 16 ALA H H 16 8.430 8.430 8.483 -0.053 18887 3109 1 6 . 1 1 17 17 HIS HA H 17 4.380 4.380 4.264 0.116 18887 3110 1 6 . 1 1 17 17 HIS C C 17 177.260 177.260 177.596 -0.336 18887 3111 1 6 . 1 1 17 17 HIS CA C 17 60.060 60.060 58.853 1.207 18887 3112 1 6 . 1 1 17 17 HIS CB C 17 31.990 31.990 29.681 2.308 18887 3113 1 6 . 1 1 18 18 THR N N 18 115.830 115.830 116.955 -1.125 18887 3114 1 6 . 1 1 18 18 THR HA H 18 3.540 3.540 3.983 -0.443 18887 3115 1 6 . 1 1 18 18 THR C C 18 176.690 176.690 176.180 0.510 18887 3116 1 6 . 1 1 18 18 THR CA C 18 67.700 67.700 67.345 0.355 18887 3117 1 6 . 1 1 18 18 THR CB C 18 69.550 69.550 68.304 1.246 18887 3118 1 6 . 1 1 18 18 THR H H 18 7.590 7.590 7.707 -0.117 18887 3119 1 6 . 1 1 19 19 TYR N N 19 121.050 121.050 120.464 0.586 18887 3120 1 6 . 1 1 19 19 TYR HA H 19 4.340 4.340 4.365 -0.025 18887 3121 1 6 . 1 1 19 19 TYR C C 19 178.420 178.420 177.732 0.688 18887 3122 1 6 . 1 1 19 19 TYR CA C 19 61.220 61.220 61.425 -0.205 18887 3123 1 6 . 1 1 19 19 TYR CB C 19 38.400 38.400 37.887 0.513 18887 3124 1 6 . 1 1 19 19 TYR H H 19 7.710 7.710 7.405 0.305 18887 3125 1 6 . 1 1 20 20 MET N N 20 120.220 120.220 120.973 -0.753 18887 3126 1 6 . 1 1 20 20 MET HA H 20 4.160 4.160 4.314 -0.154 18887 3127 1 6 . 1 1 20 20 MET C C 20 169.550 169.550 178.086 -8.536 18887 3128 1 6 . 1 1 20 20 MET CA C 20 60.050 60.050 57.115 2.935 18887 3129 1 6 . 1 1 20 20 MET CB C 20 34.410 34.410 32.423 1.987 18887 3130 1 6 . 1 1 20 20 MET H H 20 8.470 8.470 8.746 -0.276 18887 3131 1 6 . 1 1 21 21 ALA N N 21 122.280 122.280 121.495 0.785 18887 3132 1 6 . 1 1 21 21 ALA HA H 21 3.870 3.870 3.958 -0.088 18887 3133 1 6 . 1 1 21 21 ALA C C 21 178.630 178.630 179.116 -0.486 18887 3134 1 6 . 1 1 21 21 ALA CA C 21 56.760 56.760 55.470 1.290 18887 3135 1 6 . 1 1 21 21 ALA CB C 21 19.690 19.690 18.101 1.589 18887 3136 1 6 . 1 1 21 21 ALA H H 21 8.490 8.490 8.333 0.157 18887 3137 1 6 . 1 1 22 22 ALA N N 22 120.240 120.240 120.531 -0.291 18887 3138 1 6 . 1 1 22 22 ALA HA H 22 3.900 3.900 3.981 -0.081 18887 3139 1 6 . 1 1 22 22 ALA C C 22 169.200 169.200 180.066 -10.866 18887 3140 1 6 . 1 1 22 22 ALA CA C 22 56.880 56.880 54.966 1.914 18887 3141 1 6 . 1 1 22 22 ALA CB C 22 19.560 19.560 18.188 1.372 18887 3142 1 6 . 1 1 22 22 ALA H H 22 7.660 7.660 7.663 -0.003 18887 3143 1 6 . 1 1 23 23 GLN N N 23 116.680 116.680 119.047 -2.367 18887 3144 1 6 . 1 1 23 23 GLN HA H 23 3.940 3.940 3.987 -0.047 18887 3145 1 6 . 1 1 23 23 GLN C C 23 178.500 178.500 178.553 -0.053 18887 3146 1 6 . 1 1 23 23 GLN CA C 23 59.550 59.550 58.835 0.715 18887 3147 1 6 . 1 1 23 23 GLN CB C 23 29.660 29.660 28.817 0.843 18887 3148 1 6 . 1 1 23 23 GLN H H 23 8.430 8.430 8.431 -0.001 18887 3149 1 6 . 1 1 24 24 ALA N N 24 121.760 121.760 123.059 -1.299 18887 3150 1 6 . 1 1 24 24 ALA HA H 24 4.140 4.140 4.001 0.139 18887 3151 1 6 . 1 1 24 24 ALA C C 24 171.490 171.490 179.502 -8.012 18887 3152 1 6 . 1 1 24 24 ALA CA C 24 56.060 56.060 55.354 0.706 18887 3153 1 6 . 1 1 24 24 ALA CB C 24 19.760 19.760 18.442 1.318 18887 3154 1 6 . 1 1 24 24 ALA H H 24 8.130 8.130 8.479 -0.349 18887 3155 1 6 . 1 1 25 25 LEU N N 25 118.730 118.730 119.070 -0.340 18887 3156 1 6 . 1 1 25 25 LEU HA H 25 3.850 3.850 3.868 -0.018 18887 3157 1 6 . 1 1 25 25 LEU C C 25 177.990 177.990 179.051 -1.061 18887 3158 1 6 . 1 1 25 25 LEU CA C 25 59.280 59.280 57.886 1.393 18887 3159 1 6 . 1 1 25 25 LEU CB C 25 43.190 43.190 41.595 1.595 18887 3160 1 6 . 1 1 25 25 LEU H H 25 8.030 8.030 8.322 -0.292 18887 3161 1 6 . 1 1 26 26 LYS N N 26 118.850 118.850 118.798 0.052 18887 3162 1 6 . 1 1 26 26 LYS HA H 26 3.840 3.840 3.896 -0.056 18887 3163 1 6 . 1 1 26 26 LYS C C 26 169.460 169.460 178.972 -9.512 18887 3164 1 6 . 1 1 26 26 LYS CA C 26 61.420 61.420 59.677 1.743 18887 3165 1 6 . 1 1 26 26 LYS CB C 26 33.440 33.440 32.181 1.258 18887 3166 1 6 . 1 1 26 26 LYS H H 26 8.000 8.000 8.226 -0.226 18887 3167 1 6 . 1 1 27 27 LYS N N 27 120.350 120.350 118.761 1.589 18887 3168 1 6 . 1 1 27 27 LYS HA H 27 3.990 3.990 4.191 -0.201 18887 3169 1 6 . 1 1 27 27 LYS C C 27 169.670 169.670 179.079 -9.409 18887 3170 1 6 . 1 1 27 27 LYS CA C 27 60.700 60.700 58.342 2.358 18887 3171 1 6 . 1 1 27 27 LYS CB C 27 33.620 33.620 32.196 1.424 18887 3172 1 6 . 1 1 27 27 LYS H H 27 8.350 8.350 7.866 0.484 18887 3173 1 6 . 1 1 28 28 GLY N N 28 125.170 125.170 107.256 17.914 18887 3174 1 6 . 1 1 28 28 GLY C C 28 174.520 174.520 175.905 -1.385 18887 3175 1 6 . 1 1 28 28 GLY CA C 28 47.870 47.870 47.118 0.752 18887 3176 1 6 . 1 1 28 28 GLY H H 28 8.410 8.410 8.540 -0.130 18887 3177 1 6 . 1 1 29 29 ALA N N 29 122.370 122.370 124.203 -1.833 18887 3178 1 6 . 1 1 29 29 ALA HA H 29 3.820 3.820 4.128 -0.308 18887 3179 1 6 . 1 1 29 29 ALA C C 29 169.050 169.050 179.652 -10.602 18887 3180 1 6 . 1 1 29 29 ALA CA C 29 56.840 56.840 55.482 1.358 18887 3181 1 6 . 1 1 29 29 ALA CB C 29 18.800 18.800 18.425 0.375 18887 3182 1 6 . 1 1 29 29 ALA H H 29 8.280 8.280 8.300 -0.020 18887 3183 1 6 . 1 1 30 30 LYS N N 30 117.490 117.490 117.515 -0.025 18887 3184 1 6 . 1 1 30 30 LYS HA H 30 4.130 4.130 4.109 0.021 18887 3185 1 6 . 1 1 30 30 LYS C C 30 170.330 170.330 178.928 -8.598 18887 3186 1 6 . 1 1 30 30 LYS CA C 30 60.420 60.420 58.425 1.995 18887 3187 1 6 . 1 1 30 30 LYS CB C 30 33.230 33.230 31.979 1.251 18887 3188 1 6 . 1 1 30 30 LYS H H 30 7.720 7.720 7.982 -0.262 18887 3189 1 6 . 1 1 31 31 LYS N N 31 121.050 121.050 119.713 1.337 18887 3190 1 6 . 1 1 31 31 LYS HA H 31 4.020 4.020 4.102 -0.082 18887 3191 1 6 . 1 1 31 31 LYS C C 31 178.160 178.160 177.983 0.177 18887 3192 1 6 . 1 1 31 31 LYS CA C 31 60.360 60.360 58.579 1.781 18887 3193 1 6 . 1 1 31 31 LYS CB C 31 33.380 33.380 32.358 1.022 18887 3194 1 6 . 1 1 31 31 LYS H H 31 7.930 7.930 7.882 0.048 18887 3195 1 6 . 1 1 32 32 MET N N 32 114.620 114.620 114.997 -0.377 18887 3196 1 6 . 1 1 32 32 MET HA H 32 4.240 4.240 4.581 -0.341 18887 3197 1 6 . 1 1 32 32 MET C C 32 175.810 175.810 176.039 -0.229 18887 3198 1 6 . 1 1 32 32 MET CA C 32 57.400 57.400 55.593 1.807 18887 3199 1 6 . 1 1 32 32 MET CB C 32 37.710 37.710 33.795 3.915 18887 3200 1 6 . 1 1 32 32 MET H H 32 7.420 7.420 7.695 -0.275 18887 3201 1 6 . 1 1 33 33 GLY N N 33 124.900 124.900 108.647 16.253 18887 3202 1 6 . 1 1 33 33 GLY C C 33 174.340 174.340 173.253 1.087 18887 3203 1 6 . 1 1 33 33 GLY CA C 33 46.830 46.830 45.341 1.489 18887 3204 1 6 . 1 1 33 33 GLY H H 33 7.860 7.860 7.998 -0.138 18887 3205 1 6 . 1 1 34 34 ASN N N 34 116.070 116.070 116.668 -0.598 18887 3206 1 6 . 1 1 34 34 ASN HA H 34 5.210 5.210 5.515 -0.305 18887 3207 1 6 . 1 1 34 34 ASN C C 34 173.080 173.080 174.089 -1.009 18887 3208 1 6 . 1 1 34 34 ASN CA C 34 52.770 52.770 51.394 1.376 18887 3209 1 6 . 1 1 34 34 ASN CB C 34 42.880 42.880 41.504 1.376 18887 3210 1 6 . 1 1 34 34 ASN H H 34 8.160 8.160 8.206 -0.046 18887 3211 1 6 . 1 1 35 35 LEU N N 35 121.450 121.450 119.778 1.672 18887 3212 1 6 . 1 1 35 35 LEU HA H 35 4.620 4.620 4.698 -0.078 18887 3213 1 6 . 1 1 35 35 LEU C C 35 174.930 174.930 175.279 -0.349 18887 3214 1 6 . 1 1 35 35 LEU CA C 35 55.150 55.150 54.129 1.021 18887 3215 1 6 . 1 1 35 35 LEU CB C 35 44.760 44.760 43.998 0.762 18887 3216 1 6 . 1 1 35 35 LEU H H 35 8.770 8.770 8.305 0.465 18887 3217 1 6 . 1 1 36 36 ILE N N 36 119.690 119.690 124.004 -4.314 18887 3218 1 6 . 1 1 36 36 ILE HA H 36 5.660 5.660 5.094 0.566 18887 3219 1 6 . 1 1 36 36 ILE C C 36 172.620 172.620 175.114 -2.494 18887 3220 1 6 . 1 1 36 36 ILE CA C 36 59.410 59.410 59.039 0.371 18887 3221 1 6 . 1 1 36 36 ILE CB C 36 44.340 44.340 41.077 3.263 18887 3222 1 6 . 1 1 36 36 ILE H H 36 8.390 8.390 8.594 -0.204 18887 3223 1 6 . 1 1 37 37 LYS N N 37 126.230 126.230 129.383 -3.153 18887 3224 1 6 . 1 1 37 37 LYS HA H 37 4.590 4.590 4.691 -0.101 18887 3225 1 6 . 1 1 37 37 LYS C C 37 174.340 174.340 174.252 0.088 18887 3226 1 6 . 1 1 37 37 LYS CA C 37 57.050 57.050 54.121 2.929 18887 3227 1 6 . 1 1 37 37 LYS CB C 37 36.860 36.860 33.216 3.644 18887 3228 1 6 . 1 1 37 37 LYS H H 37 7.210 7.210 8.786 -1.576 18887 3229 1 6 . 1 1 38 38 VAL N N 38 124.270 124.270 125.788 -1.518 18887 3230 1 6 . 1 1 38 38 VAL HA H 38 4.920 4.920 4.997 -0.077 18887 3231 1 6 . 1 1 38 38 VAL C C 38 174.660 174.660 175.146 -0.486 18887 3232 1 6 . 1 1 38 38 VAL CA C 38 61.420 61.420 59.443 1.977 18887 3233 1 6 . 1 1 38 38 VAL CB C 38 35.020 35.020 34.550 0.470 18887 3234 1 6 . 1 1 38 38 VAL H H 38 8.760 8.760 8.691 0.069 18887 3235 1 6 . 1 1 39 39 GLU N N 39 114.800 114.800 130.448 -15.648 18887 3236 1 6 . 1 1 39 39 GLU HA H 39 5.020 5.020 4.874 0.146 18887 3237 1 6 . 1 1 39 39 GLU C C 39 175.680 175.680 175.513 0.167 18887 3238 1 6 . 1 1 39 39 GLU CA C 39 55.680 55.680 54.823 0.857 18887 3239 1 6 . 1 1 39 39 GLU CB C 39 33.940 33.940 31.377 2.563 18887 3240 1 6 . 1 1 39 39 GLU H H 39 9.210 9.210 9.058 0.152 18887 3241 1 6 . 1 1 40 40 THR N N 40 115.120 115.120 124.762 -9.642 18887 3242 1 6 . 1 1 40 40 THR HA H 40 5.180 5.180 4.448 0.732 18887 3243 1 6 . 1 1 40 40 THR C C 40 174.200 174.200 173.677 0.523 18887 3244 1 6 . 1 1 40 40 THR CA C 40 59.710 59.710 63.097 -3.387 18887 3245 1 6 . 1 1 40 40 THR CB C 40 71.270 71.270 68.458 2.812 18887 3246 1 6 . 1 1 40 40 THR H H 40 8.500 8.500 8.695 -0.195 18887 3247 1 6 . 1 1 41 41 GLN N N 41 119.850 119.850 128.750 -8.900 18887 3248 1 6 . 1 1 41 41 GLN HA H 41 4.990 4.990 4.800 0.190 18887 3249 1 6 . 1 1 41 41 GLN C C 41 175.110 175.110 176.499 -1.389 18887 3250 1 6 . 1 1 41 41 GLN CA C 41 54.980 54.980 54.741 0.239 18887 3251 1 6 . 1 1 41 41 GLN CB C 41 29.780 29.780 29.786 -0.006 18887 3252 1 6 . 1 1 41 41 GLN H H 41 8.470 8.470 8.852 -0.382 18887 3253 1 6 . 1 1 42 42 GLY N N 42 109.530 109.530 113.991 -4.461 18887 3254 1 6 . 1 1 42 42 GLY C C 42 174.750 174.750 173.279 1.471 18887 3255 1 6 . 1 1 42 42 GLY CA C 42 45.630 45.630 44.413 1.217 18887 3256 1 6 . 1 1 42 42 GLY H H 42 7.890 7.890 8.416 -0.526 18887 3257 1 6 . 1 1 43 43 ALA N N 43 123.850 123.850 124.145 -0.295 18887 3258 1 6 . 1 1 43 43 ALA HA H 43 4.170 4.170 4.072 0.098 18887 3259 1 6 . 1 1 43 43 ALA C C 43 169.490 169.490 177.392 -7.902 18887 3260 1 6 . 1 1 43 43 ALA CA C 43 56.170 56.170 52.375 3.795 18887 3261 1 6 . 1 1 43 43 ALA CB C 43 19.910 19.910 17.598 2.312 18887 3262 1 6 . 1 1 43 43 ALA H H 43 8.730 8.730 8.030 0.700 18887 3263 1 6 . 1 1 44 44 THR N N 44 122.380 122.380 111.132 11.248 18887 3264 1 6 . 1 1 44 44 THR HA H 44 4.390 4.390 3.954 0.436 18887 3265 1 6 . 1 1 44 44 THR C C 44 174.260 174.260 175.450 -1.190 18887 3266 1 6 . 1 1 44 44 THR CA C 44 62.190 62.190 65.069 -2.879 18887 3267 1 6 . 1 1 44 44 THR CB C 44 70.080 70.080 68.232 1.848 18887 3268 1 6 . 1 1 44 44 THR H H 44 7.950 7.950 8.881 -0.931 18887 3269 1 6 . 1 1 45 45 GLY N N 45 109.360 109.360 110.032 -0.672 18887 3270 1 6 . 1 1 45 45 GLY C C 45 172.380 172.380 172.881 -0.501 18887 3271 1 6 . 1 1 45 45 GLY CA C 45 45.510 45.510 44.659 0.851 18887 3272 1 6 . 1 1 45 45 GLY H H 45 7.560 7.560 7.706 -0.146 18887 3273 1 6 . 1 1 46 46 ILE N N 46 122.050 122.050 120.850 1.200 18887 3274 1 6 . 1 1 46 46 ILE HA H 46 4.780 4.780 4.512 0.268 18887 3275 1 6 . 1 1 46 46 ILE C C 46 176.010 176.010 175.698 0.312 18887 3276 1 6 . 1 1 46 46 ILE CA C 46 61.950 61.950 59.060 2.889 18887 3277 1 6 . 1 1 46 46 ILE CB C 46 40.810 40.810 40.057 0.753 18887 3278 1 6 . 1 1 46 46 ILE H H 46 8.480 8.480 8.269 0.211 18887 3279 1 6 . 1 1 47 47 GLU N N 47 109.160 109.160 127.359 -18.199 18887 3280 1 6 . 1 1 47 47 GLU HA H 47 4.660 4.660 4.278 0.382 18887 3281 1 6 . 1 1 47 47 GLU C C 47 174.750 174.750 175.977 -1.227 18887 3282 1 6 . 1 1 47 47 GLU CA C 47 55.940 55.940 57.445 -1.505 18887 3283 1 6 . 1 1 47 47 GLU CB C 47 33.640 33.640 31.480 2.160 18887 3284 1 6 . 1 1 47 47 GLU H H 47 9.000 9.000 8.895 0.105 18887 3285 1 6 . 1 1 48 48 ASN N N 48 120.510 120.510 117.818 2.692 18887 3286 1 6 . 1 1 48 48 ASN HA H 48 4.230 4.230 4.865 -0.635 18887 3287 1 6 . 1 1 48 48 ASN C C 48 173.090 173.090 173.641 -0.551 18887 3288 1 6 . 1 1 48 48 ASN CA C 48 54.770 54.770 53.007 1.763 18887 3289 1 6 . 1 1 48 48 ASN CB C 48 38.800 38.800 39.792 -0.992 18887 3290 1 6 . 1 1 48 48 ASN H H 48 8.930 8.930 8.086 0.844 18887 3291 1 6 . 1 1 49 49 GLU N N 49 114.160 114.160 124.146 -9.986 18887 3292 1 6 . 1 1 49 49 GLU HA H 49 3.890 3.890 4.497 -0.607 18887 3293 1 6 . 1 1 49 49 GLU C C 49 177.780 177.780 176.404 1.376 18887 3294 1 6 . 1 1 49 49 GLU CA C 49 57.870 57.870 57.155 0.715 18887 3295 1 6 . 1 1 49 49 GLU CB C 49 31.900 31.900 30.308 1.592 18887 3296 1 6 . 1 1 49 49 GLU H H 49 7.690 7.690 8.557 -0.867 18887 3297 1 6 . 1 1 50 50 LEU N N 50 109.440 109.440 128.423 -18.983 18887 3298 1 6 . 1 1 50 50 LEU HA H 50 4.680 4.680 4.544 0.136 18887 3299 1 6 . 1 1 50 50 LEU C C 50 177.490 177.490 176.418 1.072 18887 3300 1 6 . 1 1 50 50 LEU CA C 50 55.520 55.520 53.684 1.837 18887 3301 1 6 . 1 1 50 50 LEU CB C 50 43.440 43.440 41.443 1.997 18887 3302 1 6 . 1 1 50 50 LEU H H 50 9.560 9.560 8.147 1.413 18887 3303 1 6 . 1 1 51 51 THR N N 51 117.490 117.490 117.109 0.381 18887 3304 1 6 . 1 1 51 51 THR HA H 51 4.420 4.420 4.217 0.203 18887 3305 1 6 . 1 1 51 51 THR C C 51 175.010 175.010 175.516 -0.506 18887 3306 1 6 . 1 1 51 51 THR CA C 51 61.230 61.230 61.439 -0.209 18887 3307 1 6 . 1 1 51 51 THR CB C 51 72.860 72.860 69.947 2.913 18887 3308 1 6 . 1 1 51 51 THR H H 51 9.380 9.380 8.360 1.020 18887 3309 1 6 . 1 1 52 52 GLU N N 52 120.490 120.490 123.934 -3.444 18887 3310 1 6 . 1 1 52 52 GLU HA H 52 3.860 3.860 3.844 0.016 18887 3311 1 6 . 1 1 52 52 GLU C C 52 178.660 178.660 178.338 0.322 18887 3312 1 6 . 1 1 52 52 GLU CA C 52 61.130 61.130 60.614 0.516 18887 3313 1 6 . 1 1 52 52 GLU CB C 52 30.280 30.280 29.444 0.836 18887 3314 1 6 . 1 1 52 52 GLU H H 52 8.910 8.910 8.847 0.063 18887 3315 1 6 . 1 1 53 53 LYS N N 53 118.660 118.660 116.405 2.255 18887 3316 1 6 . 1 1 53 53 LYS HA H 53 4.020 4.020 4.039 -0.019 18887 3317 1 6 . 1 1 53 53 LYS C C 53 178.190 178.190 178.590 -0.400 18887 3318 1 6 . 1 1 53 53 LYS CA C 53 60.390 60.390 59.346 1.044 18887 3319 1 6 . 1 1 53 53 LYS CB C 53 33.210 33.210 31.715 1.495 18887 3320 1 6 . 1 1 53 53 LYS H H 53 7.890 7.890 8.308 -0.418 18887 3321 1 6 . 1 1 54 54 ASP N N 54 118.400 118.400 120.701 -2.301 18887 3322 1 6 . 1 1 54 54 ASP HA H 54 4.200 4.200 4.444 -0.244 18887 3323 1 6 . 1 1 54 54 ASP C C 54 169.070 169.070 178.787 -9.717 18887 3324 1 6 . 1 1 54 54 ASP CA C 54 58.300 58.300 57.919 0.381 18887 3325 1 6 . 1 1 54 54 ASP CB C 54 43.110 43.110 40.441 2.668 18887 3326 1 6 . 1 1 54 54 ASP H H 54 7.440 7.440 7.672 -0.232 18887 3327 1 6 . 1 1 55 55 VAL N N 55 118.420 118.420 119.616 -1.196 18887 3328 1 6 . 1 1 55 55 VAL HA H 55 3.520 3.520 3.662 -0.142 18887 3329 1 6 . 1 1 55 55 VAL C C 55 176.980 176.980 176.943 0.037 18887 3330 1 6 . 1 1 55 55 VAL CA C 55 66.950 66.950 66.795 0.155 18887 3331 1 6 . 1 1 55 55 VAL CB C 55 32.360 32.360 31.879 0.481 18887 3332 1 6 . 1 1 55 55 VAL H H 55 8.150 8.150 7.817 0.333 18887 3333 1 6 . 1 1 56 56 ASN N N 56 117.100 117.100 116.103 0.997 18887 3334 1 6 . 1 1 56 56 ASN HA H 56 4.410 4.410 4.530 -0.120 18887 3335 1 6 . 1 1 56 56 ASN C C 56 177.330 177.330 177.744 -0.414 18887 3336 1 6 . 1 1 56 56 ASN CA C 56 57.170 57.170 55.739 1.431 18887 3337 1 6 . 1 1 56 56 ASN CB C 56 39.930 39.930 39.026 0.904 18887 3338 1 6 . 1 1 56 56 ASN H H 56 8.000 8.000 7.699 0.301 18887 3339 1 6 . 1 1 57 57 ILE N N 57 115.580 115.580 119.028 -3.448 18887 3340 1 6 . 1 1 57 57 ILE HA H 57 3.950 3.950 3.997 -0.047 18887 3341 1 6 . 1 1 57 57 ILE C C 57 176.980 176.980 176.912 0.068 18887 3342 1 6 . 1 1 57 57 ILE CA C 57 63.240 63.240 63.164 0.076 18887 3343 1 6 . 1 1 57 57 ILE CB C 57 39.890 39.890 38.438 1.452 18887 3344 1 6 . 1 1 57 57 ILE H H 57 7.600 7.600 7.740 -0.140 18887 3345 1 6 . 1 1 58 58 GLY N N 58 124.080 124.080 106.913 17.167 18887 3346 1 6 . 1 1 58 58 GLY C C 58 173.190 173.190 174.593 -1.403 18887 3347 1 6 . 1 1 58 58 GLY CA C 58 47.110 47.110 44.935 2.175 18887 3348 1 6 . 1 1 58 58 GLY H H 58 7.630 7.630 8.021 -0.391 18887 3349 1 6 . 1 1 59 59 GLU N N 59 123.240 123.240 124.312 -1.072 18887 3350 1 6 . 1 1 59 59 GLU HA H 59 4.240 4.240 4.408 -0.168 18887 3351 1 6 . 1 1 59 59 GLU C C 59 176.750 176.750 176.751 -0.001 18887 3352 1 6 . 1 1 59 59 GLU CA C 59 59.830 59.830 58.434 1.396 18887 3353 1 6 . 1 1 59 59 GLU CB C 59 33.100 33.100 30.514 2.586 18887 3354 1 6 . 1 1 59 59 GLU H H 59 9.350 9.350 9.000 0.350 18887 3355 1 6 . 1 1 60 60 VAL N N 60 114.370 114.370 113.691 0.679 18887 3356 1 6 . 1 1 60 60 VAL HA H 60 4.410 4.410 4.974 -0.564 18887 3357 1 6 . 1 1 60 60 VAL C C 60 170.270 170.270 174.932 -4.662 18887 3358 1 6 . 1 1 60 60 VAL CA C 60 60.710 60.710 59.903 0.807 18887 3359 1 6 . 1 1 60 60 VAL CB C 60 35.150 35.150 32.953 2.197 18887 3360 1 6 . 1 1 60 60 VAL H H 60 7.640 7.640 7.485 0.155 18887 3361 1 6 . 1 1 61 61 VAL N N 61 125.780 125.780 123.967 1.813 18887 3362 1 6 . 1 1 61 61 VAL HA H 61 4.970 4.970 4.991 -0.021 18887 3363 1 6 . 1 1 61 61 VAL C C 61 174.450 174.450 175.296 -0.846 18887 3364 1 6 . 1 1 61 61 VAL CA C 61 60.260 60.260 60.077 0.183 18887 3365 1 6 . 1 1 61 61 VAL CB C 61 34.710 34.710 32.903 1.807 18887 3366 1 6 . 1 1 61 61 VAL H H 61 8.290 8.290 8.811 -0.521 18887 3367 1 6 . 1 1 62 62 ILE N N 62 124.740 124.740 127.238 -2.498 18887 3368 1 6 . 1 1 62 62 ILE HA H 62 4.820 4.820 4.320 0.500 18887 3369 1 6 . 1 1 62 62 ILE C C 62 175.020 175.020 174.529 0.491 18887 3370 1 6 . 1 1 62 62 ILE CA C 62 60.490 60.490 60.447 0.043 18887 3371 1 6 . 1 1 62 62 ILE CB C 62 42.560 42.560 38.958 3.602 18887 3372 1 6 . 1 1 62 62 ILE H H 62 8.580 8.580 8.372 0.208 18887 3373 1 6 . 1 1 63 63 PHE N N 63 109.510 109.510 127.797 -18.287 18887 3374 1 6 . 1 1 63 63 PHE HA H 63 5.490 5.490 4.986 0.504 18887 3375 1 6 . 1 1 63 63 PHE C C 63 173.600 173.600 174.229 -0.629 18887 3376 1 6 . 1 1 63 63 PHE CA C 63 53.020 53.020 55.963 -2.943 18887 3377 1 6 . 1 1 63 63 PHE CB C 63 40.150 40.150 40.169 -0.019 18887 3378 1 6 . 1 1 63 63 PHE H H 63 9.320 9.320 9.290 0.030 18887 3379 1 6 . 1 1 64 64 ALA N N 64 112.790 112.790 128.898 -16.108 18887 3380 1 6 . 1 1 64 64 ALA HA H 64 5.430 5.430 5.587 -0.157 18887 3381 1 6 . 1 1 64 64 ALA C C 64 175.040 175.040 175.795 -0.755 18887 3382 1 6 . 1 1 64 64 ALA CA C 64 50.740 50.740 50.001 0.739 18887 3383 1 6 . 1 1 64 64 ALA CB C 64 19.690 19.690 19.678 0.012 18887 3384 1 6 . 1 1 64 64 ALA H H 64 8.840 8.840 8.605 0.235 18887 3385 1 6 . 1 1 65 65 VAL N N 65 110.260 110.260 118.679 -8.419 18887 3386 1 6 . 1 1 65 65 VAL HA H 65 5.690 5.690 5.197 0.493 18887 3387 1 6 . 1 1 65 65 VAL C C 65 175.380 175.380 174.541 0.839 18887 3388 1 6 . 1 1 65 65 VAL CA C 65 59.060 59.060 60.172 -1.112 18887 3389 1 6 . 1 1 65 65 VAL CB C 65 38.800 38.800 35.593 3.207 18887 3390 1 6 . 1 1 65 65 VAL H H 65 8.080 8.080 7.578 0.502 18887 3391 1 6 . 1 1 66 66 ASP N N 66 119.250 119.250 123.795 -4.545 18887 3392 1 6 . 1 1 66 66 ASP HA H 66 4.870 4.870 4.762 0.108 18887 3393 1 6 . 1 1 66 66 ASP C C 66 175.600 175.600 175.635 -0.035 18887 3394 1 6 . 1 1 66 66 ASP CA C 66 53.780 53.780 53.900 -0.120 18887 3395 1 6 . 1 1 66 66 ASP CB C 66 42.910 42.910 42.012 0.898 18887 3396 1 6 . 1 1 66 66 ASP H H 66 7.760 7.760 8.771 -1.011 18887 3397 1 6 . 1 1 67 67 THR N N 67 112.330 112.330 112.451 -0.121 18887 3398 1 6 . 1 1 67 67 THR HA H 67 4.510 4.510 4.423 0.087 18887 3399 1 6 . 1 1 67 67 THR C C 67 172.370 172.370 172.853 -0.483 18887 3400 1 6 . 1 1 67 67 THR CA C 67 59.650 59.650 60.993 -1.343 18887 3401 1 6 . 1 1 67 67 THR CB C 67 70.230 70.230 70.720 -0.490 18887 3402 1 6 . 1 1 67 67 THR H H 67 7.070 7.070 7.480 -0.410 18887 3403 1 6 . 1 1 68 68 LYS N N 68 121.380 121.380 121.705 -0.325 18887 3404 1 6 . 1 1 68 68 LYS HA H 68 4.080 4.080 4.303 -0.223 18887 3405 1 6 . 1 1 68 68 LYS C C 68 176.250 176.250 175.274 0.976 18887 3406 1 6 . 1 1 68 68 LYS CA C 68 57.470 57.470 56.541 0.929 18887 3407 1 6 . 1 1 68 68 LYS CB C 68 34.020 34.020 33.082 0.938 18887 3408 1 6 . 1 1 68 68 LYS H H 68 7.540 7.540 8.227 -0.687 18887 3409 1 6 . 1 1 69 69 VAL N N 69 125.310 125.310 112.065 13.245 18887 3410 1 6 . 1 1 69 69 VAL HA H 69 3.320 3.320 4.659 -1.339 18887 3411 1 6 . 1 1 69 69 VAL C C 69 175.890 175.890 175.654 0.236 18887 3412 1 6 . 1 1 69 69 VAL CA C 69 64.110 64.110 59.950 4.160 18887 3413 1 6 . 1 1 69 69 VAL CB C 69 33.810 33.810 35.170 -1.360 18887 3414 1 6 . 1 1 69 69 VAL H H 69 8.320 8.320 7.940 0.380 18887 3415 1 6 . 1 1 70 70 ARG N N 70 111.240 111.240 119.091 -7.851 18887 3416 1 6 . 1 1 70 70 ARG HA H 70 4.160 4.160 4.400 -0.240 18887 3417 1 6 . 1 1 70 70 ARG C C 70 177.030 177.030 177.843 -0.813 18887 3418 1 6 . 1 1 70 70 ARG CA C 70 57.630 57.630 57.836 -0.206 18887 3419 1 6 . 1 1 70 70 ARG CB C 70 31.440 31.440 30.382 1.058 18887 3420 1 6 . 1 1 70 70 ARG H H 70 9.580 9.580 9.059 0.521 18887 3421 1 6 . 1 1 71 71 ASN N N 71 120.660 120.660 119.081 1.579 18887 3422 1 6 . 1 1 71 71 ASN HA H 71 4.670 4.670 4.726 -0.056 18887 3423 1 6 . 1 1 71 71 ASN C C 71 177.530 177.530 176.598 0.932 18887 3424 1 6 . 1 1 71 71 ASN CA C 71 54.770 54.770 53.884 0.886 18887 3425 1 6 . 1 1 71 71 ASN CB C 71 37.130 37.130 37.919 -0.789 18887 3426 1 6 . 1 1 71 71 ASN H H 71 9.170 9.170 8.560 0.610 18887 3427 1 6 . 1 1 72 72 LYS N N 72 120.730 120.730 122.320 -1.590 18887 3428 1 6 . 1 1 72 72 LYS HA H 72 4.010 4.010 4.305 -0.295 18887 3429 1 6 . 1 1 72 72 LYS C C 72 177.790 177.790 177.957 -0.167 18887 3430 1 6 . 1 1 72 72 LYS CA C 72 59.910 59.910 59.437 0.473 18887 3431 1 6 . 1 1 72 72 LYS CB C 72 33.260 33.260 32.114 1.147 18887 3432 1 6 . 1 1 72 72 LYS H H 72 8.400 8.400 8.269 0.131 18887 3433 1 6 . 1 1 73 73 GLU N N 73 122.670 122.670 118.493 4.177 18887 3434 1 6 . 1 1 73 73 GLU HA H 73 4.160 4.160 3.980 0.180 18887 3435 1 6 . 1 1 73 73 GLU C C 73 177.620 177.620 178.738 -1.118 18887 3436 1 6 . 1 1 73 73 GLU CA C 73 60.380 60.380 59.159 1.221 18887 3437 1 6 . 1 1 73 73 GLU CB C 73 28.660 28.660 29.372 -0.712 18887 3438 1 6 . 1 1 73 73 GLU H H 73 9.960 9.960 7.718 2.242 18887 3439 1 6 . 1 1 74 74 ARG N N 74 117.370 117.370 116.521 0.849 18887 3440 1 6 . 1 1 74 74 ARG HA H 74 3.770 3.770 4.192 -0.422 18887 3441 1 6 . 1 1 74 74 ARG C C 74 177.380 177.380 177.753 -0.373 18887 3442 1 6 . 1 1 74 74 ARG CA C 74 59.010 59.010 57.551 1.459 18887 3443 1 6 . 1 1 74 74 ARG CB C 74 32.720 32.720 30.420 2.300 18887 3444 1 6 . 1 1 74 74 ARG H H 74 6.830 6.830 7.671 -0.841 18887 3445 1 6 . 1 1 75 75 PHE N N 75 112.920 112.920 117.881 -4.961 18887 3446 1 6 . 1 1 75 75 PHE HA H 75 4.280 4.280 4.482 -0.202 18887 3447 1 6 . 1 1 75 75 PHE C C 75 174.870 174.870 175.891 -1.021 18887 3448 1 6 . 1 1 75 75 PHE CA C 75 57.370 57.370 58.807 -1.437 18887 3449 1 6 . 1 1 75 75 PHE CB C 75 39.380 39.380 38.841 0.539 18887 3450 1 6 . 1 1 75 75 PHE H H 75 7.670 7.670 7.186 0.484 18887 3451 1 6 . 1 1 76 76 ASP N N 76 121.780 121.780 119.737 2.043 18887 3452 1 6 . 1 1 76 76 ASP HA H 76 4.380 4.380 4.550 -0.170 18887 3453 1 6 . 1 1 76 76 ASP C C 76 177.380 177.380 177.201 0.179 18887 3454 1 6 . 1 1 76 76 ASP CA C 76 57.700 57.700 56.294 1.407 18887 3455 1 6 . 1 1 76 76 ASP CB C 76 41.270 41.270 41.075 0.195 18887 3456 1 6 . 1 1 76 76 ASP H H 76 7.210 7.210 7.803 -0.593 18887 3457 1 6 . 1 1 77 77 GLY N N 77 111.910 111.910 112.425 -0.515 18887 3458 1 6 . 1 1 77 77 GLY C C 77 174.310 174.310 174.415 -0.105 18887 3459 1 6 . 1 1 77 77 GLY CA C 77 46.290 46.290 44.879 1.411 18887 3460 1 6 . 1 1 77 77 GLY H H 77 8.920 8.920 8.366 0.554 18887 3461 1 6 . 1 1 78 78 LYS N N 78 117.910 117.910 120.685 -2.775 18887 3462 1 6 . 1 1 78 78 LYS HA H 78 4.540 4.540 4.801 -0.261 18887 3463 1 6 . 1 1 78 78 LYS C C 78 175.910 175.910 176.031 -0.121 18887 3464 1 6 . 1 1 78 78 LYS CA C 78 53.410 53.410 55.043 -1.633 18887 3465 1 6 . 1 1 78 78 LYS CB C 78 32.780 32.780 34.165 -1.385 18887 3466 1 6 . 1 1 78 78 LYS H H 78 7.700 7.700 7.821 -0.121 18887 3467 1 6 . 1 1 79 79 VAL N N 79 124.500 124.500 122.174 2.326 18887 3468 1 6 . 1 1 79 79 VAL HA H 79 3.850 3.850 4.285 -0.435 18887 3469 1 6 . 1 1 79 79 VAL C C 79 174.140 174.140 174.831 -0.691 18887 3470 1 6 . 1 1 79 79 VAL CA C 79 64.810 64.810 62.001 2.809 18887 3471 1 6 . 1 1 79 79 VAL CB C 79 32.390 32.390 30.529 1.861 18887 3472 1 6 . 1 1 79 79 VAL H H 79 8.890 8.890 8.689 0.201 18887 3473 1 6 . 1 1 80 80 VAL N N 80 125.810 125.810 123.275 2.535 18887 3474 1 6 . 1 1 80 80 VAL HA H 80 4.690 4.690 5.291 -0.601 18887 3475 1 6 . 1 1 80 80 VAL C C 80 175.270 175.270 174.412 0.858 18887 3476 1 6 . 1 1 80 80 VAL CA C 80 60.670 60.670 58.747 1.923 18887 3477 1 6 . 1 1 80 80 VAL CB C 80 35.970 35.970 35.362 0.608 18887 3478 1 6 . 1 1 80 80 VAL H H 80 7.860 7.860 8.005 -0.145 18887 3479 1 6 . 1 1 81 81 LEU N N 81 110.550 110.550 124.311 -13.761 18887 3480 1 6 . 1 1 81 81 LEU HA H 81 4.490 4.490 4.780 -0.290 18887 3481 1 6 . 1 1 81 81 LEU C C 81 173.930 173.930 174.977 -1.047 18887 3482 1 6 . 1 1 81 81 LEU CA C 81 54.410 54.410 54.228 0.181 18887 3483 1 6 . 1 1 81 81 LEU CB C 81 45.100 45.100 45.632 -0.532 18887 3484 1 6 . 1 1 81 81 LEU H H 81 8.790 8.790 9.113 -0.323 18887 3485 1 6 . 1 1 82 82 GLU N N 82 111.070 111.070 128.453 -17.383 18887 3486 1 6 . 1 1 82 82 GLU HA H 82 5.460 5.460 4.901 0.559 18887 3487 1 6 . 1 1 82 82 GLU C C 82 175.440 175.440 175.565 -0.125 18887 3488 1 6 . 1 1 82 82 GLU CA C 82 56.010 56.010 55.394 0.616 18887 3489 1 6 . 1 1 82 82 GLU CB C 82 32.100 32.100 30.252 1.848 18887 3490 1 6 . 1 1 82 82 GLU H H 82 8.750 8.750 8.802 -0.052 18887 3491 1 6 . 1 1 83 83 VAL N N 83 119.980 119.980 121.848 -1.868 18887 3492 1 6 . 1 1 83 83 VAL HA H 83 4.950 4.950 4.741 0.209 18887 3493 1 6 . 1 1 83 83 VAL C C 83 172.120 172.120 173.341 -1.221 18887 3494 1 6 . 1 1 83 83 VAL CA C 83 58.760 58.760 58.060 0.700 18887 3495 1 6 . 1 1 83 83 VAL CB C 83 34.570 34.570 33.191 1.379 18887 3496 1 6 . 1 1 83 83 VAL H H 83 9.390 9.390 8.757 0.633 18887 3497 1 6 . 1 1 84 84 PRO HA H 84 4.740 4.740 4.492 0.248 18887 3498 1 6 . 1 1 84 84 PRO C C 84 178.300 178.300 178.105 0.195 18887 3499 1 6 . 1 1 84 84 PRO CA C 84 63.330 63.330 62.291 1.039 18887 3500 1 6 . 1 1 84 84 PRO CB C 84 33.430 33.430 32.227 1.203 18887 3501 1 6 . 1 1 85 85 VAL N N 85 122.390 122.390 122.190 0.200 18887 3502 1 6 . 1 1 85 85 VAL HA H 85 3.320 3.320 3.738 -0.418 18887 3503 1 6 . 1 1 85 85 VAL C C 85 174.190 174.190 177.030 -2.840 18887 3504 1 6 . 1 1 85 85 VAL CA C 85 66.540 66.540 64.890 1.650 18887 3505 1 6 . 1 1 85 85 VAL CB C 85 32.970 32.970 31.760 1.210 18887 3506 1 6 . 1 1 85 85 VAL H H 85 7.240 7.240 8.630 -1.390 18887 3507 1 6 . 1 1 86 86 SER N N 86 125.590 125.590 114.585 11.005 18887 3508 1 6 . 1 1 86 86 SER HA H 86 4.020 4.020 4.064 -0.044 18887 3509 1 6 . 1 1 86 86 SER C C 86 176.940 176.940 175.537 1.403 18887 3510 1 6 . 1 1 86 86 SER CA C 86 60.200 60.200 60.405 -0.205 18887 3511 1 6 . 1 1 86 86 SER CB C 86 64.060 64.060 62.684 1.376 18887 3512 1 6 . 1 1 86 86 SER H H 86 7.600 7.600 8.182 -0.582 18887 3513 1 6 . 1 1 87 87 ALA N N 87 125.200 125.200 124.497 0.703 18887 3514 1 6 . 1 1 87 87 ALA HA H 87 4.280 4.280 4.257 0.023 18887 3515 1 6 . 1 1 87 87 ALA C C 87 177.370 177.370 176.188 1.182 18887 3516 1 6 . 1 1 87 87 ALA CA C 87 57.600 57.600 56.285 1.315 18887 3517 1 6 . 1 1 87 87 ALA CB C 87 16.620 16.620 16.527 0.093 18887 3518 1 6 . 1 1 87 87 ALA H H 87 7.870 7.870 7.788 0.082 18887 3519 1 6 . 1 1 88 88 PRO HA H 88 4.000 4.000 4.262 -0.262 18887 3520 1 6 . 1 1 88 88 PRO C C 88 175.090 175.090 178.090 -3.000 18887 3521 1 6 . 1 1 88 88 PRO CA C 88 65.410 65.410 65.293 0.117 18887 3522 1 6 . 1 1 88 88 PRO CB C 88 32.130 32.130 31.039 1.091 18887 3523 1 6 . 1 1 89 89 ILE N N 89 114.700 114.700 118.103 -3.403 18887 3524 1 6 . 1 1 89 89 ILE HA H 89 3.310 3.310 3.871 -0.561 18887 3525 1 6 . 1 1 89 89 ILE C C 89 177.850 177.850 177.169 0.681 18887 3526 1 6 . 1 1 89 89 ILE CA C 89 66.320 66.320 64.025 2.295 18887 3527 1 6 . 1 1 89 89 ILE CB C 89 38.790 38.790 37.738 1.052 18887 3528 1 6 . 1 1 89 89 ILE H H 89 6.300 6.300 7.622 -1.322 18887 3529 1 6 . 1 1 90 90 LYS N N 90 118.530 118.530 117.692 0.838 18887 3530 1 6 . 1 1 90 90 LYS HA H 90 4.060 4.060 4.420 -0.360 18887 3531 1 6 . 1 1 90 90 LYS C C 90 177.390 177.390 177.511 -0.121 18887 3532 1 6 . 1 1 90 90 LYS CA C 90 59.710 59.710 57.231 2.479 18887 3533 1 6 . 1 1 90 90 LYS CB C 90 33.940 33.940 33.620 0.320 18887 3534 1 6 . 1 1 90 90 LYS H H 90 7.440 7.440 7.595 -0.155 18887 3535 1 6 . 1 1 91 91 ASP N N 91 114.670 114.670 119.502 -4.832 18887 3536 1 6 . 1 1 91 91 ASP HA H 91 4.530 4.530 4.874 -0.344 18887 3537 1 6 . 1 1 91 91 ASP C C 91 174.350 174.350 175.924 -1.574 18887 3538 1 6 . 1 1 91 91 ASP CA C 91 55.120 55.120 53.436 1.684 18887 3539 1 6 . 1 1 91 91 ASP CB C 91 41.530 41.530 41.316 0.213 18887 3540 1 6 . 1 1 91 91 ASP H H 91 7.700 7.700 8.424 -0.724 18887 3541 1 6 . 1 1 92 92 ALA N N 92 111.350 111.350 123.350 -12.000 18887 3542 1 6 . 1 1 92 92 ALA HA H 92 3.830 3.830 3.895 -0.065 18887 3543 1 6 . 1 1 92 92 ALA C C 92 169.330 169.330 178.960 -9.630 18887 3544 1 6 . 1 1 92 92 ALA CA C 92 57.220 57.220 55.932 1.288 18887 3545 1 6 . 1 1 92 92 ALA CB C 92 20.700 20.700 18.386 2.314 18887 3546 1 6 . 1 1 92 92 ALA H H 92 8.860 8.860 8.086 0.774 18887 3547 1 6 . 1 1 93 93 GLU N N 93 117.860 117.860 117.126 0.734 18887 3548 1 6 . 1 1 93 93 GLU HA H 93 3.860 3.860 4.023 -0.163 18887 3549 1 6 . 1 1 93 93 GLU C C 93 177.970 177.970 178.729 -0.759 18887 3550 1 6 . 1 1 93 93 GLU CA C 93 61.240 61.240 59.224 2.016 18887 3551 1 6 . 1 1 93 93 GLU CB C 93 30.570 30.570 29.173 1.397 18887 3552 1 6 . 1 1 93 93 GLU H H 93 8.520 8.520 8.782 -0.262 18887 3553 1 6 . 1 1 94 94 LYS N N 94 119.790 119.790 120.607 -0.817 18887 3554 1 6 . 1 1 94 94 LYS HA H 94 3.930 3.930 4.126 -0.196 18887 3555 1 6 . 1 1 94 94 LYS C C 94 169.840 169.840 178.803 -8.963 18887 3556 1 6 . 1 1 94 94 LYS CA C 94 60.600 60.600 58.884 1.716 18887 3557 1 6 . 1 1 94 94 LYS CB C 94 33.550 33.550 32.043 1.507 18887 3558 1 6 . 1 1 94 94 LYS H H 94 7.670 7.670 7.327 0.343 18887 3559 1 6 . 1 1 95 95 VAL N N 95 118.850 118.850 120.682 -1.832 18887 3560 1 6 . 1 1 95 95 VAL HA H 95 3.590 3.590 3.650 -0.059 18887 3561 1 6 . 1 1 95 95 VAL C C 95 176.620 176.620 177.547 -0.927 18887 3562 1 6 . 1 1 95 95 VAL CA C 95 67.220 67.220 66.115 1.105 18887 3563 1 6 . 1 1 95 95 VAL CB C 95 32.880 32.880 31.789 1.091 18887 3564 1 6 . 1 1 95 95 VAL H H 95 7.150 7.150 8.458 -1.308 18887 3565 1 6 . 1 1 96 96 ILE N N 96 119.120 119.120 120.251 -1.131 18887 3566 1 6 . 1 1 96 96 ILE HA H 96 3.380 3.380 3.525 -0.145 18887 3567 1 6 . 1 1 96 96 ILE C C 96 177.750 177.750 177.786 -0.036 18887 3568 1 6 . 1 1 96 96 ILE CA C 96 67.190 67.190 65.634 1.556 18887 3569 1 6 . 1 1 96 96 ILE CB C 96 38.440 38.440 37.564 0.876 18887 3570 1 6 . 1 1 96 96 ILE H H 96 8.380 8.380 7.844 0.536 18887 3571 1 6 . 1 1 97 97 ASN N N 97 117.000 117.000 118.426 -1.426 18887 3572 1 6 . 1 1 97 97 ASN HA H 97 4.420 4.420 4.376 0.044 18887 3573 1 6 . 1 1 97 97 ASN C C 97 178.380 178.380 177.690 0.690 18887 3574 1 6 . 1 1 97 97 ASN CA C 97 57.430 57.430 56.331 1.099 18887 3575 1 6 . 1 1 97 97 ASN CB C 97 39.030 39.030 37.822 1.208 18887 3576 1 6 . 1 1 97 97 ASN H H 97 8.730 8.730 7.924 0.806 18887 3577 1 6 . 1 1 98 98 ALA N N 98 123.790 123.790 122.409 1.381 18887 3578 1 6 . 1 1 98 98 ALA HA H 98 4.100 4.100 4.107 -0.007 18887 3579 1 6 . 1 1 98 98 ALA C C 98 169.600 169.600 179.413 -9.813 18887 3580 1 6 . 1 1 98 98 ALA CA C 98 55.890 55.890 54.979 0.911 18887 3581 1 6 . 1 1 98 98 ALA CB C 98 18.850 18.850 18.218 0.632 18887 3582 1 6 . 1 1 98 98 ALA H H 98 7.950 7.950 8.559 -0.609 18887 3583 1 6 . 1 1 99 99 ALA N N 99 122.120 122.120 120.798 1.322 18887 3584 1 6 . 1 1 99 99 ALA HA H 99 3.930 3.930 3.998 -0.068 18887 3585 1 6 . 1 1 99 99 ALA C C 99 178.700 178.700 179.558 -0.858 18887 3586 1 6 . 1 1 99 99 ALA CA C 99 55.920 55.920 54.656 1.264 18887 3587 1 6 . 1 1 99 99 ALA CB C 99 18.960 18.960 18.613 0.347 18887 3588 1 6 . 1 1 99 99 ALA H H 99 7.930 7.930 7.619 0.311 18887 3589 1 6 . 1 1 100 100 LEU N N 100 115.870 115.870 118.513 -2.643 18887 3590 1 6 . 1 1 100 100 LEU HA H 100 3.900 3.900 3.982 -0.082 18887 3591 1 6 . 1 1 100 100 LEU C C 100 169.150 169.150 179.083 -9.933 18887 3592 1 6 . 1 1 100 100 LEU CA C 100 58.140 58.140 57.355 0.785 18887 3593 1 6 . 1 1 100 100 LEU CB C 100 41.730 41.730 41.516 0.214 18887 3594 1 6 . 1 1 100 100 LEU H H 100 8.220 8.220 7.965 0.255 18887 3595 1 6 . 1 1 101 101 ALA N N 101 120.410 120.410 120.929 -0.519 18887 3596 1 6 . 1 1 101 101 ALA HA H 101 4.100 4.100 4.112 -0.012 18887 3597 1 6 . 1 1 101 101 ALA C C 101 169.730 169.730 179.530 -9.800 18887 3598 1 6 . 1 1 101 101 ALA CA C 101 55.680 55.680 54.656 1.024 18887 3599 1 6 . 1 1 101 101 ALA CB C 101 18.860 18.860 18.295 0.565 18887 3600 1 6 . 1 1 101 101 ALA H H 101 7.970 7.970 8.231 -0.261 18887 3601 1 6 . 1 1 102 102 LEU N N 102 115.090 115.090 118.187 -3.097 18887 3602 1 6 . 1 1 102 102 LEU HA H 102 4.120 4.120 4.084 0.036 18887 3603 1 6 . 1 1 102 102 LEU C C 102 169.060 169.060 177.990 -8.930 18887 3604 1 6 . 1 1 102 102 LEU CA C 102 57.870 57.870 57.184 0.686 18887 3605 1 6 . 1 1 102 102 LEU CB C 102 43.730 43.730 42.025 1.705 18887 3606 1 6 . 1 1 102 102 LEU H H 102 7.330 7.330 7.526 -0.196 18887 3607 1 6 . 1 1 103 103 ILE N N 103 110.170 110.170 111.907 -1.737 18887 3608 1 6 . 1 1 103 103 ILE HA H 103 4.430 4.430 4.324 0.106 18887 3609 1 6 . 1 1 103 103 ILE C C 103 176.670 176.670 175.635 1.035 18887 3610 1 6 . 1 1 103 103 ILE CA C 103 62.520 62.520 60.084 2.436 18887 3611 1 6 . 1 1 103 103 ILE CB C 103 40.020 40.020 38.425 1.595 18887 3612 1 6 . 1 1 103 103 ILE H H 103 7.140 7.140 7.303 -0.163 18887 3613 1 6 . 1 1 104 104 ASP N N 104 122.560 122.560 120.659 1.901 18887 3614 1 6 . 1 1 104 104 ASP HA H 104 4.650 4.650 4.440 0.210 18887 3615 1 6 . 1 1 104 104 ASP C C 104 176.670 176.670 175.705 0.965 18887 3616 1 6 . 1 1 104 104 ASP CA C 104 56.220 56.220 55.534 0.686 18887 3617 1 6 . 1 1 104 104 ASP CB C 104 42.080 42.080 39.957 2.123 18887 3618 1 6 . 1 1 104 104 ASP H H 104 8.000 8.000 7.483 0.517 18887 3619 1 6 . 1 1 105 105 GLU N N 105 120.750 120.750 114.263 6.487 18887 3620 1 6 . 1 1 105 105 GLU HA H 105 4.300 4.300 3.882 0.418 18887 3621 1 6 . 1 1 105 105 GLU C C 105 175.470 175.470 175.358 0.112 18887 3622 1 6 . 1 1 105 105 GLU CA C 105 57.640 57.640 57.730 -0.090 18887 3623 1 6 . 1 1 105 105 GLU CB C 105 30.870 30.870 28.400 2.470 18887 3624 1 6 . 1 1 105 105 GLU H H 105 8.030 8.030 8.523 -0.493 18887 3625 1 7 . 1 1 2 2 LYS N N 2 120.950 120.950 121.995 -1.045 18887 3626 1 7 . 1 1 2 2 LYS HA H 2 4.330 4.330 4.411 -0.081 18887 3627 1 7 . 1 1 2 2 LYS C C 2 176.040 176.040 176.079 -0.039 18887 3628 1 7 . 1 1 2 2 LYS CA C 2 57.850 57.850 55.926 1.924 18887 3629 1 7 . 1 1 2 2 LYS CB C 2 33.480 33.480 31.153 2.327 18887 3630 1 7 . 1 1 2 2 LYS H H 2 8.220 8.220 8.468 -0.248 18887 3631 1 7 . 1 1 3 3 ARG N N 3 120.340 120.340 125.360 -5.020 18887 3632 1 7 . 1 1 3 3 ARG HA H 3 4.660 4.660 4.392 0.268 18887 3633 1 7 . 1 1 3 3 ARG C C 3 175.960 175.960 175.724 0.236 18887 3634 1 7 . 1 1 3 3 ARG CA C 3 53.810 53.810 55.890 -2.080 18887 3635 1 7 . 1 1 3 3 ARG CB C 3 29.710 29.710 31.668 -1.958 18887 3636 1 7 . 1 1 3 3 ARG H H 3 8.220 8.220 9.068 -0.848 18887 3637 1 7 . 1 1 4 4 LYS N N 4 121.540 121.540 124.332 -2.792 18887 3638 1 7 . 1 1 4 4 LYS HA H 4 4.770 4.770 4.955 -0.184 18887 3639 1 7 . 1 1 4 4 LYS C C 4 174.820 174.820 176.234 -1.414 18887 3640 1 7 . 1 1 4 4 LYS CA C 4 57.230 57.230 54.691 2.539 18887 3641 1 7 . 1 1 4 4 LYS CB C 4 33.800 33.800 32.208 1.592 18887 3642 1 7 . 1 1 4 4 LYS H H 4 8.880 8.880 8.953 -0.073 18887 3643 1 7 . 1 1 5 5 ILE N N 5 125.030 125.030 126.336 -1.306 18887 3644 1 7 . 1 1 5 5 ILE HA H 5 4.530 4.530 4.930 -0.400 18887 3645 1 7 . 1 1 5 5 ILE C C 5 175.420 175.420 174.195 1.225 18887 3646 1 7 . 1 1 5 5 ILE CA C 5 61.120 61.120 60.097 1.023 18887 3647 1 7 . 1 1 5 5 ILE CB C 5 41.880 41.880 42.138 -0.258 18887 3648 1 7 . 1 1 5 5 ILE H H 5 8.760 8.760 9.107 -0.347 18887 3649 1 7 . 1 1 6 6 ILE N N 6 119.270 119.270 121.299 -2.029 18887 3650 1 7 . 1 1 6 6 ILE HA H 6 5.440 5.440 5.042 0.398 18887 3651 1 7 . 1 1 6 6 ILE C C 6 173.880 173.880 173.523 0.357 18887 3652 1 7 . 1 1 6 6 ILE CA C 6 60.480 60.480 58.160 2.320 18887 3653 1 7 . 1 1 6 6 ILE CB C 6 42.120 42.120 40.490 1.630 18887 3654 1 7 . 1 1 6 6 ILE H H 6 8.110 8.110 8.436 -0.326 18887 3655 1 7 . 1 1 7 7 ALA N N 7 122.330 122.330 127.827 -5.497 18887 3656 1 7 . 1 1 7 7 ALA HA H 7 5.780 5.780 5.002 0.778 18887 3657 1 7 . 1 1 7 7 ALA C C 7 173.950 173.950 175.207 -1.257 18887 3658 1 7 . 1 1 7 7 ALA CA C 7 51.280 51.280 50.066 1.214 18887 3659 1 7 . 1 1 7 7 ALA CB C 7 25.930 25.930 22.948 2.982 18887 3660 1 7 . 1 1 7 7 ALA H H 7 8.790 8.790 8.813 -0.023 18887 3661 1 7 . 1 1 8 8 VAL N N 8 119.860 119.860 122.149 -2.289 18887 3662 1 7 . 1 1 8 8 VAL HA H 8 5.190 5.190 4.941 0.249 18887 3663 1 7 . 1 1 8 8 VAL C C 8 175.590 175.590 175.238 0.352 18887 3664 1 7 . 1 1 8 8 VAL CA C 8 61.340 61.340 59.798 1.542 18887 3665 1 7 . 1 1 8 8 VAL CB C 8 36.650 36.650 34.986 1.664 18887 3666 1 7 . 1 1 8 8 VAL H H 8 8.950 8.950 8.298 0.652 18887 3667 1 7 . 1 1 9 9 THR N N 9 116.320 116.320 117.134 -0.814 18887 3668 1 7 . 1 1 9 9 THR HA H 9 5.500 5.500 5.356 0.144 18887 3669 1 7 . 1 1 9 9 THR C C 9 172.920 172.920 173.157 -0.237 18887 3670 1 7 . 1 1 9 9 THR CA C 9 59.470 59.470 59.664 -0.195 18887 3671 1 7 . 1 1 9 9 THR CB C 9 71.510 71.510 70.606 0.904 18887 3672 1 7 . 1 1 9 9 THR H H 9 8.860 8.860 9.145 -0.285 18887 3673 1 7 . 1 1 10 10 ALA N N 10 121.780 121.780 128.702 -6.922 18887 3674 1 7 . 1 1 10 10 ALA HA H 10 4.800 4.800 5.098 -0.298 18887 3675 1 7 . 1 1 10 10 ALA C C 10 174.680 174.680 175.117 -0.437 18887 3676 1 7 . 1 1 10 10 ALA CA C 10 54.300 54.300 51.771 2.529 18887 3677 1 7 . 1 1 10 10 ALA CB C 10 22.940 22.940 21.176 1.764 18887 3678 1 7 . 1 1 10 10 ALA H H 10 7.710 7.710 8.956 -1.246 18887 3679 1 7 . 1 1 11 11 CYS N N 11 121.780 121.780 122.426 -0.646 18887 3680 1 7 . 1 1 11 11 CYS HA H 11 5.160 5.160 4.729 0.431 18887 3681 1 7 . 1 1 11 11 CYS C C 11 174.700 174.700 173.965 0.735 18887 3682 1 7 . 1 1 11 11 CYS CA C 11 57.150 57.150 57.713 -0.563 18887 3683 1 7 . 1 1 11 11 CYS CB C 11 30.830 30.830 31.212 -0.382 18887 3684 1 7 . 1 1 11 11 CYS H H 11 8.140 8.140 8.327 -0.187 18887 3685 1 7 . 1 1 12 12 ALA N N 12 113.900 113.900 129.823 -15.923 18887 3686 1 7 . 1 1 12 12 ALA HA H 12 4.220 4.220 4.506 -0.286 18887 3687 1 7 . 1 1 12 12 ALA C C 12 168.950 168.950 178.088 -9.138 18887 3688 1 7 . 1 1 12 12 ALA CA C 12 55.270 55.270 53.496 1.774 18887 3689 1 7 . 1 1 12 12 ALA CB C 12 20.320 20.320 19.128 1.192 18887 3690 1 7 . 1 1 12 12 ALA H H 12 10.630 10.630 8.729 1.901 18887 3691 1 7 . 1 1 13 13 THR N N 13 109.490 109.490 114.523 -5.033 18887 3692 1 7 . 1 1 13 13 THR HA H 13 4.390 4.390 4.162 0.228 18887 3693 1 7 . 1 1 13 13 THR C C 13 174.870 174.870 175.155 -0.285 18887 3694 1 7 . 1 1 13 13 THR CA C 13 62.910 62.910 64.423 -1.513 18887 3695 1 7 . 1 1 13 13 THR CB C 13 70.640 70.640 69.373 1.267 18887 3696 1 7 . 1 1 13 13 THR H H 13 8.180 8.180 7.692 0.488 18887 3697 1 7 . 1 1 14 14 GLY N N 14 111.450 111.450 110.063 1.387 18887 3698 1 7 . 1 1 14 14 GLY C C 14 173.680 173.680 174.382 -0.702 18887 3699 1 7 . 1 1 14 14 GLY CA C 14 47.050 47.050 44.636 2.414 18887 3700 1 7 . 1 1 14 14 GLY H H 14 7.880 7.880 7.637 0.243 18887 3701 1 7 . 1 1 15 15 VAL N N 15 119.530 119.530 124.025 -4.495 18887 3702 1 7 . 1 1 15 15 VAL HA H 15 4.110 4.110 3.824 0.286 18887 3703 1 7 . 1 1 15 15 VAL C C 15 176.860 176.860 177.202 -0.342 18887 3704 1 7 . 1 1 15 15 VAL CA C 15 64.740 64.740 64.564 0.176 18887 3705 1 7 . 1 1 15 15 VAL CB C 15 33.690 33.690 31.299 2.392 18887 3706 1 7 . 1 1 15 15 VAL H H 15 8.250 8.250 8.687 -0.437 18887 3707 1 7 . 1 1 16 16 ALA N N 16 123.230 123.230 122.160 1.070 18887 3708 1 7 . 1 1 16 16 ALA HA H 16 4.230 4.230 4.271 -0.041 18887 3709 1 7 . 1 1 16 16 ALA C C 16 170.610 170.610 179.582 -8.972 18887 3710 1 7 . 1 1 16 16 ALA CA C 16 56.280 56.280 55.036 1.244 18887 3711 1 7 . 1 1 16 16 ALA CB C 16 19.320 19.320 17.880 1.440 18887 3712 1 7 . 1 1 16 16 ALA H H 16 8.430 8.430 8.526 -0.096 18887 3713 1 7 . 1 1 17 17 HIS HA H 17 4.380 4.380 4.368 0.012 18887 3714 1 7 . 1 1 17 17 HIS C C 17 177.260 177.260 177.837 -0.577 18887 3715 1 7 . 1 1 17 17 HIS CA C 17 60.060 60.060 59.243 0.817 18887 3716 1 7 . 1 1 17 17 HIS CB C 17 31.990 31.990 29.843 2.147 18887 3717 1 7 . 1 1 18 18 THR N N 18 115.830 115.830 117.983 -2.153 18887 3718 1 7 . 1 1 18 18 THR HA H 18 3.540 3.540 4.032 -0.492 18887 3719 1 7 . 1 1 18 18 THR C C 18 176.690 176.690 176.209 0.481 18887 3720 1 7 . 1 1 18 18 THR CA C 18 67.700 67.700 67.239 0.461 18887 3721 1 7 . 1 1 18 18 THR CB C 18 69.550 69.550 68.426 1.124 18887 3722 1 7 . 1 1 18 18 THR H H 18 7.590 7.590 7.662 -0.072 18887 3723 1 7 . 1 1 19 19 TYR N N 19 121.050 121.050 120.813 0.237 18887 3724 1 7 . 1 1 19 19 TYR HA H 19 4.340 4.340 4.313 0.027 18887 3725 1 7 . 1 1 19 19 TYR C C 19 178.420 178.420 177.914 0.506 18887 3726 1 7 . 1 1 19 19 TYR CA C 19 61.220 61.220 61.649 -0.429 18887 3727 1 7 . 1 1 19 19 TYR CB C 19 38.400 38.400 37.790 0.610 18887 3728 1 7 . 1 1 19 19 TYR H H 19 7.710 7.710 7.866 -0.156 18887 3729 1 7 . 1 1 20 20 MET N N 20 120.220 120.220 119.109 1.111 18887 3730 1 7 . 1 1 20 20 MET HA H 20 4.160 4.160 4.291 -0.131 18887 3731 1 7 . 1 1 20 20 MET C C 20 169.550 169.550 177.992 -8.442 18887 3732 1 7 . 1 1 20 20 MET CA C 20 60.050 60.050 58.222 1.828 18887 3733 1 7 . 1 1 20 20 MET CB C 20 34.410 34.410 32.795 1.615 18887 3734 1 7 . 1 1 20 20 MET H H 20 8.470 8.470 7.848 0.622 18887 3735 1 7 . 1 1 21 21 ALA N N 21 122.280 122.280 121.963 0.317 18887 3736 1 7 . 1 1 21 21 ALA HA H 21 3.870 3.870 3.982 -0.112 18887 3737 1 7 . 1 1 21 21 ALA C C 21 178.630 178.630 179.078 -0.448 18887 3738 1 7 . 1 1 21 21 ALA CA C 21 56.760 56.760 55.320 1.440 18887 3739 1 7 . 1 1 21 21 ALA CB C 21 19.690 19.690 18.147 1.543 18887 3740 1 7 . 1 1 21 21 ALA H H 21 8.490 8.490 8.579 -0.089 18887 3741 1 7 . 1 1 22 22 ALA N N 22 120.240 120.240 121.291 -1.051 18887 3742 1 7 . 1 1 22 22 ALA HA H 22 3.900 3.900 3.923 -0.023 18887 3743 1 7 . 1 1 22 22 ALA C C 22 169.200 169.200 179.446 -10.246 18887 3744 1 7 . 1 1 22 22 ALA CA C 22 56.880 56.880 55.285 1.595 18887 3745 1 7 . 1 1 22 22 ALA CB C 22 19.560 19.560 18.611 0.949 18887 3746 1 7 . 1 1 22 22 ALA H H 22 7.660 7.660 7.652 0.008 18887 3747 1 7 . 1 1 23 23 GLN N N 23 116.680 116.680 117.858 -1.178 18887 3748 1 7 . 1 1 23 23 GLN HA H 23 3.940 3.940 4.116 -0.176 18887 3749 1 7 . 1 1 23 23 GLN C C 23 178.500 178.500 178.282 0.218 18887 3750 1 7 . 1 1 23 23 GLN CA C 23 59.550 59.550 58.321 1.230 18887 3751 1 7 . 1 1 23 23 GLN CB C 23 29.660 29.660 28.612 1.048 18887 3752 1 7 . 1 1 23 23 GLN H H 23 8.430 8.430 7.952 0.478 18887 3753 1 7 . 1 1 24 24 ALA N N 24 121.760 121.760 123.471 -1.711 18887 3754 1 7 . 1 1 24 24 ALA HA H 24 4.140 4.140 4.110 0.030 18887 3755 1 7 . 1 1 24 24 ALA C C 24 171.490 171.490 179.422 -7.932 18887 3756 1 7 . 1 1 24 24 ALA CA C 24 56.060 56.060 54.962 1.098 18887 3757 1 7 . 1 1 24 24 ALA CB C 24 19.760 19.760 18.646 1.114 18887 3758 1 7 . 1 1 24 24 ALA H H 24 8.130 8.130 8.548 -0.418 18887 3759 1 7 . 1 1 25 25 LEU N N 25 118.730 118.730 119.513 -0.783 18887 3760 1 7 . 1 1 25 25 LEU HA H 25 3.850 3.850 3.873 -0.023 18887 3761 1 7 . 1 1 25 25 LEU C C 25 177.990 177.990 179.020 -1.030 18887 3762 1 7 . 1 1 25 25 LEU CA C 25 59.280 59.280 57.897 1.383 18887 3763 1 7 . 1 1 25 25 LEU CB C 25 43.190 43.190 41.653 1.537 18887 3764 1 7 . 1 1 25 25 LEU H H 25 8.030 8.030 8.267 -0.237 18887 3765 1 7 . 1 1 26 26 LYS N N 26 118.850 118.850 119.102 -0.252 18887 3766 1 7 . 1 1 26 26 LYS HA H 26 3.840 3.840 3.934 -0.094 18887 3767 1 7 . 1 1 26 26 LYS C C 26 169.460 169.460 178.429 -8.969 18887 3768 1 7 . 1 1 26 26 LYS CA C 26 61.420 61.420 59.675 1.745 18887 3769 1 7 . 1 1 26 26 LYS CB C 26 33.440 33.440 32.207 1.233 18887 3770 1 7 . 1 1 26 26 LYS H H 26 8.000 8.000 8.075 -0.075 18887 3771 1 7 . 1 1 27 27 LYS N N 27 120.350 120.350 119.521 0.829 18887 3772 1 7 . 1 1 27 27 LYS HA H 27 3.990 3.990 4.000 -0.010 18887 3773 1 7 . 1 1 27 27 LYS C C 27 169.670 169.670 178.829 -9.159 18887 3774 1 7 . 1 1 27 27 LYS CA C 27 60.700 60.700 59.625 1.075 18887 3775 1 7 . 1 1 27 27 LYS CB C 27 33.620 33.620 32.178 1.442 18887 3776 1 7 . 1 1 27 27 LYS H H 27 8.350 8.350 7.899 0.452 18887 3777 1 7 . 1 1 28 28 GLY N N 28 125.170 125.170 106.464 18.706 18887 3778 1 7 . 1 1 28 28 GLY C C 28 174.520 174.520 175.920 -1.400 18887 3779 1 7 . 1 1 28 28 GLY CA C 28 47.870 47.870 46.840 1.030 18887 3780 1 7 . 1 1 28 28 GLY H H 28 8.410 8.410 8.174 0.236 18887 3781 1 7 . 1 1 29 29 ALA N N 29 122.370 122.370 124.522 -2.152 18887 3782 1 7 . 1 1 29 29 ALA HA H 29 3.820 3.820 4.107 -0.287 18887 3783 1 7 . 1 1 29 29 ALA C C 29 169.050 169.050 179.770 -10.720 18887 3784 1 7 . 1 1 29 29 ALA CA C 29 56.840 56.840 54.921 1.919 18887 3785 1 7 . 1 1 29 29 ALA CB C 29 18.800 18.800 18.459 0.341 18887 3786 1 7 . 1 1 29 29 ALA H H 29 8.280 8.280 8.092 0.188 18887 3787 1 7 . 1 1 30 30 LYS N N 30 117.490 117.490 118.634 -1.144 18887 3788 1 7 . 1 1 30 30 LYS HA H 30 4.130 4.130 4.179 -0.049 18887 3789 1 7 . 1 1 30 30 LYS C C 30 170.330 170.330 179.673 -9.343 18887 3790 1 7 . 1 1 30 30 LYS CA C 30 60.420 60.420 58.381 2.039 18887 3791 1 7 . 1 1 30 30 LYS CB C 30 33.230 33.230 32.199 1.032 18887 3792 1 7 . 1 1 30 30 LYS H H 30 7.720 7.720 8.129 -0.409 18887 3793 1 7 . 1 1 31 31 LYS N N 31 121.050 121.050 120.461 0.589 18887 3794 1 7 . 1 1 31 31 LYS HA H 31 4.020 4.020 4.085 -0.065 18887 3795 1 7 . 1 1 31 31 LYS C C 31 178.160 178.160 177.352 0.808 18887 3796 1 7 . 1 1 31 31 LYS CA C 31 60.360 60.360 59.079 1.281 18887 3797 1 7 . 1 1 31 31 LYS CB C 31 33.380 33.380 32.568 0.812 18887 3798 1 7 . 1 1 31 31 LYS H H 31 7.930 7.930 8.034 -0.104 18887 3799 1 7 . 1 1 32 32 MET N N 32 114.620 114.620 115.077 -0.457 18887 3800 1 7 . 1 1 32 32 MET HA H 32 4.240 4.240 4.592 -0.352 18887 3801 1 7 . 1 1 32 32 MET C C 32 175.810 175.810 176.112 -0.302 18887 3802 1 7 . 1 1 32 32 MET CA C 32 57.400 57.400 53.557 3.843 18887 3803 1 7 . 1 1 32 32 MET CB C 32 37.710 37.710 32.516 5.194 18887 3804 1 7 . 1 1 32 32 MET H H 32 7.420 7.420 7.452 -0.032 18887 3805 1 7 . 1 1 33 33 GLY N N 33 124.900 124.900 108.871 16.029 18887 3806 1 7 . 1 1 33 33 GLY C C 33 174.340 174.340 174.684 -0.344 18887 3807 1 7 . 1 1 33 33 GLY CA C 33 46.830 46.830 45.771 1.059 18887 3808 1 7 . 1 1 33 33 GLY H H 33 7.860 7.860 7.864 -0.004 18887 3809 1 7 . 1 1 34 34 ASN N N 34 116.070 116.070 117.914 -1.844 18887 3810 1 7 . 1 1 34 34 ASN HA H 34 5.210 5.210 4.789 0.421 18887 3811 1 7 . 1 1 34 34 ASN C C 34 173.080 173.080 173.802 -0.722 18887 3812 1 7 . 1 1 34 34 ASN CA C 34 52.770 52.770 53.255 -0.485 18887 3813 1 7 . 1 1 34 34 ASN CB C 34 42.880 42.880 40.207 2.673 18887 3814 1 7 . 1 1 34 34 ASN H H 34 8.160 8.160 8.284 -0.124 18887 3815 1 7 . 1 1 35 35 LEU N N 35 121.450 121.450 121.270 0.180 18887 3816 1 7 . 1 1 35 35 LEU HA H 35 4.620 4.620 4.842 -0.222 18887 3817 1 7 . 1 1 35 35 LEU C C 35 174.930 174.930 175.120 -0.190 18887 3818 1 7 . 1 1 35 35 LEU CA C 35 55.150 55.150 54.103 1.046 18887 3819 1 7 . 1 1 35 35 LEU CB C 35 44.760 44.760 43.250 1.510 18887 3820 1 7 . 1 1 35 35 LEU H H 35 8.770 8.770 8.700 0.070 18887 3821 1 7 . 1 1 36 36 ILE N N 36 119.690 119.690 123.358 -3.668 18887 3822 1 7 . 1 1 36 36 ILE HA H 36 5.660 5.660 5.345 0.315 18887 3823 1 7 . 1 1 36 36 ILE C C 36 172.620 172.620 174.636 -2.016 18887 3824 1 7 . 1 1 36 36 ILE CA C 36 59.410 59.410 58.994 0.416 18887 3825 1 7 . 1 1 36 36 ILE CB C 36 44.340 44.340 41.768 2.572 18887 3826 1 7 . 1 1 36 36 ILE H H 36 8.390 8.390 8.540 -0.150 18887 3827 1 7 . 1 1 37 37 LYS N N 37 126.230 126.230 128.712 -2.482 18887 3828 1 7 . 1 1 37 37 LYS HA H 37 4.590 4.590 4.699 -0.109 18887 3829 1 7 . 1 1 37 37 LYS C C 37 174.340 174.340 174.742 -0.402 18887 3830 1 7 . 1 1 37 37 LYS CA C 37 57.050 57.050 53.737 3.313 18887 3831 1 7 . 1 1 37 37 LYS CB C 37 36.860 36.860 33.016 3.844 18887 3832 1 7 . 1 1 37 37 LYS H H 37 7.210 7.210 8.344 -1.134 18887 3833 1 7 . 1 1 38 38 VAL N N 38 124.270 124.270 125.637 -1.367 18887 3834 1 7 . 1 1 38 38 VAL HA H 38 4.920 4.920 4.917 0.003 18887 3835 1 7 . 1 1 38 38 VAL C C 38 174.660 174.660 176.133 -1.473 18887 3836 1 7 . 1 1 38 38 VAL CA C 38 61.420 61.420 60.712 0.708 18887 3837 1 7 . 1 1 38 38 VAL CB C 38 35.020 35.020 31.879 3.141 18887 3838 1 7 . 1 1 38 38 VAL H H 38 8.760 8.760 8.657 0.103 18887 3839 1 7 . 1 1 39 39 GLU N N 39 114.800 114.800 129.014 -14.214 18887 3840 1 7 . 1 1 39 39 GLU HA H 39 5.020 5.020 4.561 0.459 18887 3841 1 7 . 1 1 39 39 GLU C C 39 175.680 175.680 175.121 0.559 18887 3842 1 7 . 1 1 39 39 GLU CA C 39 55.680 55.680 54.981 0.699 18887 3843 1 7 . 1 1 39 39 GLU CB C 39 33.940 33.940 32.648 1.292 18887 3844 1 7 . 1 1 39 39 GLU H H 39 9.210 9.210 9.238 -0.028 18887 3845 1 7 . 1 1 40 40 THR N N 40 115.120 115.120 118.947 -3.827 18887 3846 1 7 . 1 1 40 40 THR HA H 40 5.180 5.180 5.146 0.034 18887 3847 1 7 . 1 1 40 40 THR C C 40 174.200 174.200 172.570 1.630 18887 3848 1 7 . 1 1 40 40 THR CA C 40 59.710 59.710 61.476 -1.766 18887 3849 1 7 . 1 1 40 40 THR CB C 40 71.270 71.270 70.918 0.352 18887 3850 1 7 . 1 1 40 40 THR H H 40 8.500 8.500 8.444 0.056 18887 3851 1 7 . 1 1 41 41 GLN N N 41 119.850 119.850 126.752 -6.902 18887 3852 1 7 . 1 1 41 41 GLN HA H 41 4.990 4.990 5.054 -0.064 18887 3853 1 7 . 1 1 41 41 GLN C C 41 175.110 175.110 174.496 0.614 18887 3854 1 7 . 1 1 41 41 GLN CA C 41 54.980 54.980 54.311 0.669 18887 3855 1 7 . 1 1 41 41 GLN CB C 41 29.780 29.780 33.379 -3.599 18887 3856 1 7 . 1 1 41 41 GLN H H 41 8.470 8.470 9.186 -0.716 18887 3857 1 7 . 1 1 42 42 GLY N N 42 109.530 109.530 111.813 -2.283 18887 3858 1 7 . 1 1 42 42 GLY C C 42 174.750 174.750 174.188 0.562 18887 3859 1 7 . 1 1 42 42 GLY CA C 42 45.630 45.630 44.314 1.316 18887 3860 1 7 . 1 1 42 42 GLY H H 42 7.890 7.890 9.084 -1.194 18887 3861 1 7 . 1 1 43 43 ALA N N 43 123.850 123.850 126.878 -3.028 18887 3862 1 7 . 1 1 43 43 ALA HA H 43 4.170 4.170 3.854 0.316 18887 3863 1 7 . 1 1 43 43 ALA C C 43 169.490 169.490 176.318 -6.828 18887 3864 1 7 . 1 1 43 43 ALA CA C 43 56.170 56.170 54.620 1.550 18887 3865 1 7 . 1 1 43 43 ALA CB C 43 19.910 19.910 17.579 2.331 18887 3866 1 7 . 1 1 43 43 ALA H H 43 8.730 8.730 8.809 -0.079 18887 3867 1 7 . 1 1 44 44 THR N N 44 122.380 122.380 111.354 11.026 18887 3868 1 7 . 1 1 44 44 THR HA H 44 4.390 4.390 4.431 -0.041 18887 3869 1 7 . 1 1 44 44 THR C C 44 174.260 174.260 173.987 0.273 18887 3870 1 7 . 1 1 44 44 THR CA C 44 62.190 62.190 62.661 -0.471 18887 3871 1 7 . 1 1 44 44 THR CB C 44 70.080 70.080 70.065 0.015 18887 3872 1 7 . 1 1 44 44 THR H H 44 7.950 7.950 8.295 -0.345 18887 3873 1 7 . 1 1 45 45 GLY N N 45 109.360 109.360 112.303 -2.943 18887 3874 1 7 . 1 1 45 45 GLY C C 45 172.380 172.380 172.925 -0.545 18887 3875 1 7 . 1 1 45 45 GLY CA C 45 45.510 45.510 44.424 1.086 18887 3876 1 7 . 1 1 45 45 GLY H H 45 7.560 7.560 7.598 -0.038 18887 3877 1 7 . 1 1 46 46 ILE N N 46 122.050 122.050 126.756 -4.706 18887 3878 1 7 . 1 1 46 46 ILE HA H 46 4.780 4.780 4.376 0.404 18887 3879 1 7 . 1 1 46 46 ILE C C 46 176.010 176.010 176.345 -0.335 18887 3880 1 7 . 1 1 46 46 ILE CA C 46 61.950 61.950 61.528 0.422 18887 3881 1 7 . 1 1 46 46 ILE CB C 46 40.810 40.810 38.377 2.433 18887 3882 1 7 . 1 1 46 46 ILE H H 46 8.480 8.480 8.537 -0.057 18887 3883 1 7 . 1 1 47 47 GLU N N 47 109.160 109.160 129.145 -19.985 18887 3884 1 7 . 1 1 47 47 GLU HA H 47 4.660 4.660 4.160 0.500 18887 3885 1 7 . 1 1 47 47 GLU C C 47 174.750 174.750 177.552 -2.802 18887 3886 1 7 . 1 1 47 47 GLU CA C 47 55.940 55.940 58.916 -2.975 18887 3887 1 7 . 1 1 47 47 GLU CB C 47 33.640 33.640 29.906 3.734 18887 3888 1 7 . 1 1 47 47 GLU H H 47 9.000 9.000 9.038 -0.038 18887 3889 1 7 . 1 1 48 48 ASN N N 48 120.510 120.510 117.140 3.370 18887 3890 1 7 . 1 1 48 48 ASN HA H 48 4.230 4.230 4.629 -0.399 18887 3891 1 7 . 1 1 48 48 ASN C C 48 173.090 173.090 174.663 -1.573 18887 3892 1 7 . 1 1 48 48 ASN CA C 48 54.770 54.770 53.290 1.480 18887 3893 1 7 . 1 1 48 48 ASN CB C 48 38.800 38.800 39.663 -0.864 18887 3894 1 7 . 1 1 48 48 ASN H H 48 8.930 8.930 7.894 1.036 18887 3895 1 7 . 1 1 49 49 GLU N N 49 114.160 114.160 118.211 -4.051 18887 3896 1 7 . 1 1 49 49 GLU HA H 49 3.890 3.890 4.084 -0.194 18887 3897 1 7 . 1 1 49 49 GLU C C 49 177.780 177.780 174.792 2.988 18887 3898 1 7 . 1 1 49 49 GLU CA C 49 57.870 57.870 56.874 0.996 18887 3899 1 7 . 1 1 49 49 GLU CB C 49 31.900 31.900 28.443 3.457 18887 3900 1 7 . 1 1 49 49 GLU H H 49 7.690 7.690 8.381 -0.691 18887 3901 1 7 . 1 1 50 50 LEU N N 50 109.440 109.440 126.209 -16.769 18887 3902 1 7 . 1 1 50 50 LEU HA H 50 4.680 4.680 4.375 0.305 18887 3903 1 7 . 1 1 50 50 LEU C C 50 177.490 177.490 176.256 1.234 18887 3904 1 7 . 1 1 50 50 LEU CA C 50 55.520 55.520 54.742 0.778 18887 3905 1 7 . 1 1 50 50 LEU CB C 50 43.440 43.440 42.508 0.932 18887 3906 1 7 . 1 1 50 50 LEU H H 50 9.560 9.560 9.585 -0.025 18887 3907 1 7 . 1 1 51 51 THR N N 51 117.490 117.490 119.781 -2.291 18887 3908 1 7 . 1 1 51 51 THR HA H 51 4.420 4.420 4.326 0.094 18887 3909 1 7 . 1 1 51 51 THR C C 51 175.010 175.010 175.967 -0.957 18887 3910 1 7 . 1 1 51 51 THR CA C 51 61.230 61.230 61.500 -0.270 18887 3911 1 7 . 1 1 51 51 THR CB C 51 72.860 72.860 70.184 2.676 18887 3912 1 7 . 1 1 51 51 THR H H 51 9.380 9.380 8.252 1.128 18887 3913 1 7 . 1 1 52 52 GLU N N 52 120.490 120.490 122.100 -1.610 18887 3914 1 7 . 1 1 52 52 GLU HA H 52 3.860 3.860 3.888 -0.028 18887 3915 1 7 . 1 1 52 52 GLU C C 52 178.660 178.660 178.681 -0.021 18887 3916 1 7 . 1 1 52 52 GLU CA C 52 61.130 61.130 60.495 0.635 18887 3917 1 7 . 1 1 52 52 GLU CB C 52 30.280 30.280 29.185 1.095 18887 3918 1 7 . 1 1 52 52 GLU H H 52 8.910 8.910 8.878 0.032 18887 3919 1 7 . 1 1 53 53 LYS N N 53 118.660 118.660 119.110 -0.450 18887 3920 1 7 . 1 1 53 53 LYS HA H 53 4.020 4.020 4.023 -0.003 18887 3921 1 7 . 1 1 53 53 LYS C C 53 178.190 178.190 178.874 -0.684 18887 3922 1 7 . 1 1 53 53 LYS CA C 53 60.390 60.390 59.270 1.120 18887 3923 1 7 . 1 1 53 53 LYS CB C 53 33.210 33.210 32.162 1.048 18887 3924 1 7 . 1 1 53 53 LYS H H 53 7.890 7.890 8.233 -0.343 18887 3925 1 7 . 1 1 54 54 ASP N N 54 118.400 118.400 120.403 -2.003 18887 3926 1 7 . 1 1 54 54 ASP HA H 54 4.200 4.200 4.431 -0.231 18887 3927 1 7 . 1 1 54 54 ASP C C 54 169.070 169.070 178.667 -9.597 18887 3928 1 7 . 1 1 54 54 ASP CA C 54 58.300 58.300 57.527 0.773 18887 3929 1 7 . 1 1 54 54 ASP CB C 54 43.110 43.110 40.977 2.133 18887 3930 1 7 . 1 1 54 54 ASP H H 54 7.440 7.440 7.637 -0.197 18887 3931 1 7 . 1 1 55 55 VAL N N 55 118.420 118.420 120.357 -1.937 18887 3932 1 7 . 1 1 55 55 VAL HA H 55 3.520 3.520 3.668 -0.148 18887 3933 1 7 . 1 1 55 55 VAL C C 55 176.980 176.980 177.997 -1.017 18887 3934 1 7 . 1 1 55 55 VAL CA C 55 66.950 66.950 66.978 -0.028 18887 3935 1 7 . 1 1 55 55 VAL CB C 55 32.360 32.360 31.801 0.559 18887 3936 1 7 . 1 1 55 55 VAL H H 55 8.150 8.150 8.644 -0.494 18887 3937 1 7 . 1 1 56 56 ASN N N 56 117.100 117.100 116.088 1.012 18887 3938 1 7 . 1 1 56 56 ASN HA H 56 4.410 4.410 4.622 -0.212 18887 3939 1 7 . 1 1 56 56 ASN C C 56 177.330 177.330 176.804 0.526 18887 3940 1 7 . 1 1 56 56 ASN CA C 56 57.170 57.170 55.076 2.094 18887 3941 1 7 . 1 1 56 56 ASN CB C 56 39.930 39.930 38.334 1.596 18887 3942 1 7 . 1 1 56 56 ASN H H 56 8.000 8.000 8.539 -0.539 18887 3943 1 7 . 1 1 57 57 ILE N N 57 115.580 115.580 119.149 -3.569 18887 3944 1 7 . 1 1 57 57 ILE HA H 57 3.950 3.950 3.992 -0.042 18887 3945 1 7 . 1 1 57 57 ILE C C 57 176.980 176.980 176.421 0.559 18887 3946 1 7 . 1 1 57 57 ILE CA C 57 63.240 63.240 63.219 0.021 18887 3947 1 7 . 1 1 57 57 ILE CB C 57 39.890 39.890 38.635 1.255 18887 3948 1 7 . 1 1 57 57 ILE H H 57 7.600 7.600 7.329 0.271 18887 3949 1 7 . 1 1 58 58 GLY N N 58 124.080 124.080 106.188 17.892 18887 3950 1 7 . 1 1 58 58 GLY C C 58 173.190 173.190 173.384 -0.194 18887 3951 1 7 . 1 1 58 58 GLY CA C 58 47.110 47.110 44.750 2.360 18887 3952 1 7 . 1 1 58 58 GLY H H 58 7.630 7.630 7.592 0.038 18887 3953 1 7 . 1 1 59 59 GLU N N 59 123.240 123.240 124.491 -1.251 18887 3954 1 7 . 1 1 59 59 GLU HA H 59 4.240 4.240 4.233 0.007 18887 3955 1 7 . 1 1 59 59 GLU C C 59 176.750 176.750 176.839 -0.089 18887 3956 1 7 . 1 1 59 59 GLU CA C 59 59.830 59.830 58.748 1.083 18887 3957 1 7 . 1 1 59 59 GLU CB C 59 33.100 33.100 30.537 2.563 18887 3958 1 7 . 1 1 59 59 GLU H H 59 9.350 9.350 8.674 0.676 18887 3959 1 7 . 1 1 60 60 VAL N N 60 114.370 114.370 114.102 0.268 18887 3960 1 7 . 1 1 60 60 VAL HA H 60 4.410 4.410 4.758 -0.348 18887 3961 1 7 . 1 1 60 60 VAL C C 60 170.270 170.270 174.634 -4.364 18887 3962 1 7 . 1 1 60 60 VAL CA C 60 60.710 60.710 60.940 -0.230 18887 3963 1 7 . 1 1 60 60 VAL CB C 60 35.150 35.150 33.332 1.818 18887 3964 1 7 . 1 1 60 60 VAL H H 60 7.640 7.640 7.339 0.301 18887 3965 1 7 . 1 1 61 61 VAL N N 61 125.780 125.780 122.789 2.991 18887 3966 1 7 . 1 1 61 61 VAL HA H 61 4.970 4.970 4.961 0.009 18887 3967 1 7 . 1 1 61 61 VAL C C 61 174.450 174.450 175.053 -0.603 18887 3968 1 7 . 1 1 61 61 VAL CA C 61 60.260 60.260 59.935 0.325 18887 3969 1 7 . 1 1 61 61 VAL CB C 61 34.710 34.710 33.529 1.181 18887 3970 1 7 . 1 1 61 61 VAL H H 61 8.290 8.290 8.691 -0.401 18887 3971 1 7 . 1 1 62 62 ILE N N 62 124.740 124.740 126.076 -1.336 18887 3972 1 7 . 1 1 62 62 ILE HA H 62 4.820 4.820 4.773 0.047 18887 3973 1 7 . 1 1 62 62 ILE C C 62 175.020 175.020 174.659 0.361 18887 3974 1 7 . 1 1 62 62 ILE CA C 62 60.490 60.490 59.454 1.036 18887 3975 1 7 . 1 1 62 62 ILE CB C 62 42.560 42.560 40.384 2.176 18887 3976 1 7 . 1 1 62 62 ILE H H 62 8.580 8.580 8.306 0.274 18887 3977 1 7 . 1 1 63 63 PHE N N 63 109.510 109.510 127.191 -17.681 18887 3978 1 7 . 1 1 63 63 PHE HA H 63 5.490 5.490 5.132 0.358 18887 3979 1 7 . 1 1 63 63 PHE C C 63 173.600 173.600 174.669 -1.069 18887 3980 1 7 . 1 1 63 63 PHE CA C 63 53.020 53.020 55.959 -2.939 18887 3981 1 7 . 1 1 63 63 PHE CB C 63 40.150 40.150 40.687 -0.537 18887 3982 1 7 . 1 1 63 63 PHE H H 63 9.320 9.320 8.222 1.098 18887 3983 1 7 . 1 1 64 64 ALA N N 64 112.790 112.790 129.152 -16.362 18887 3984 1 7 . 1 1 64 64 ALA HA H 64 5.430 5.430 5.090 0.340 18887 3985 1 7 . 1 1 64 64 ALA C C 64 175.040 175.040 175.861 -0.821 18887 3986 1 7 . 1 1 64 64 ALA CA C 64 50.740 50.740 50.448 0.292 18887 3987 1 7 . 1 1 64 64 ALA CB C 64 19.690 19.690 18.796 0.894 18887 3988 1 7 . 1 1 64 64 ALA H H 64 8.840 8.840 8.587 0.253 18887 3989 1 7 . 1 1 65 65 VAL N N 65 110.260 110.260 117.019 -6.759 18887 3990 1 7 . 1 1 65 65 VAL HA H 65 5.690 5.690 4.887 0.803 18887 3991 1 7 . 1 1 65 65 VAL C C 65 175.380 175.380 174.037 1.343 18887 3992 1 7 . 1 1 65 65 VAL CA C 65 59.060 59.060 59.699 -0.639 18887 3993 1 7 . 1 1 65 65 VAL CB C 65 38.800 38.800 35.392 3.408 18887 3994 1 7 . 1 1 65 65 VAL H H 65 8.080 8.080 7.499 0.581 18887 3995 1 7 . 1 1 66 66 ASP N N 66 119.250 119.250 121.938 -2.688 18887 3996 1 7 . 1 1 66 66 ASP HA H 66 4.870 4.870 4.903 -0.033 18887 3997 1 7 . 1 1 66 66 ASP C C 66 175.600 175.600 176.276 -0.676 18887 3998 1 7 . 1 1 66 66 ASP CA C 66 53.780 53.780 54.517 -0.737 18887 3999 1 7 . 1 1 66 66 ASP CB C 66 42.910 42.910 43.355 -0.445 18887 4000 1 7 . 1 1 66 66 ASP H H 66 7.760 7.760 9.080 -1.320 18887 4001 1 7 . 1 1 67 67 THR N N 67 112.330 112.330 115.387 -3.057 18887 4002 1 7 . 1 1 67 67 THR HA H 67 4.510 4.510 4.487 0.023 18887 4003 1 7 . 1 1 67 67 THR C C 67 172.370 172.370 172.973 -0.603 18887 4004 1 7 . 1 1 67 67 THR CA C 67 59.650 59.650 60.252 -0.602 18887 4005 1 7 . 1 1 67 67 THR CB C 67 70.230 70.230 69.667 0.563 18887 4006 1 7 . 1 1 67 67 THR H H 67 7.070 7.070 7.760 -0.690 18887 4007 1 7 . 1 1 68 68 LYS N N 68 121.380 121.380 120.956 0.424 18887 4008 1 7 . 1 1 68 68 LYS HA H 68 4.080 4.080 4.372 -0.292 18887 4009 1 7 . 1 1 68 68 LYS C C 68 176.250 176.250 174.620 1.630 18887 4010 1 7 . 1 1 68 68 LYS CA C 68 57.470 57.470 55.860 1.610 18887 4011 1 7 . 1 1 68 68 LYS CB C 68 34.020 34.020 33.297 0.723 18887 4012 1 7 . 1 1 68 68 LYS H H 68 7.540 7.540 8.314 -0.774 18887 4013 1 7 . 1 1 69 69 VAL N N 69 125.310 125.310 113.422 11.888 18887 4014 1 7 . 1 1 69 69 VAL HA H 69 3.320 3.320 4.509 -1.189 18887 4015 1 7 . 1 1 69 69 VAL C C 69 175.890 175.890 175.717 0.173 18887 4016 1 7 . 1 1 69 69 VAL CA C 69 64.110 64.110 59.775 4.335 18887 4017 1 7 . 1 1 69 69 VAL CB C 69 33.810 33.810 34.728 -0.918 18887 4018 1 7 . 1 1 69 69 VAL H H 69 8.320 8.320 7.798 0.522 18887 4019 1 7 . 1 1 70 70 ARG N N 70 111.240 111.240 122.638 -11.398 18887 4020 1 7 . 1 1 70 70 ARG HA H 70 4.160 4.160 4.258 -0.098 18887 4021 1 7 . 1 1 70 70 ARG C C 70 177.030 177.030 177.611 -0.581 18887 4022 1 7 . 1 1 70 70 ARG CA C 70 57.630 57.630 57.936 -0.306 18887 4023 1 7 . 1 1 70 70 ARG CB C 70 31.440 31.440 30.829 0.611 18887 4024 1 7 . 1 1 70 70 ARG H H 70 9.580 9.580 8.936 0.644 18887 4025 1 7 . 1 1 71 71 ASN N N 71 120.660 120.660 117.875 2.785 18887 4026 1 7 . 1 1 71 71 ASN HA H 71 4.670 4.670 4.475 0.195 18887 4027 1 7 . 1 1 71 71 ASN C C 71 177.530 177.530 176.970 0.560 18887 4028 1 7 . 1 1 71 71 ASN CA C 71 54.770 54.770 54.596 0.174 18887 4029 1 7 . 1 1 71 71 ASN CB C 71 37.130 37.130 37.507 -0.376 18887 4030 1 7 . 1 1 71 71 ASN H H 71 9.170 9.170 8.711 0.459 18887 4031 1 7 . 1 1 72 72 LYS N N 72 120.730 120.730 122.277 -1.547 18887 4032 1 7 . 1 1 72 72 LYS HA H 72 4.010 4.010 4.578 -0.568 18887 4033 1 7 . 1 1 72 72 LYS C C 72 177.790 177.790 178.665 -0.875 18887 4034 1 7 . 1 1 72 72 LYS CA C 72 59.910 59.910 59.364 0.547 18887 4035 1 7 . 1 1 72 72 LYS CB C 72 33.260 33.260 32.109 1.151 18887 4036 1 7 . 1 1 72 72 LYS H H 72 8.400 8.400 8.229 0.171 18887 4037 1 7 . 1 1 73 73 GLU N N 73 122.670 122.670 119.127 3.543 18887 4038 1 7 . 1 1 73 73 GLU HA H 73 4.160 4.160 3.946 0.214 18887 4039 1 7 . 1 1 73 73 GLU C C 73 177.620 177.620 179.189 -1.569 18887 4040 1 7 . 1 1 73 73 GLU CA C 73 60.380 60.380 59.330 1.050 18887 4041 1 7 . 1 1 73 73 GLU CB C 73 28.660 28.660 29.141 -0.481 18887 4042 1 7 . 1 1 73 73 GLU H H 73 9.960 9.960 7.826 2.134 18887 4043 1 7 . 1 1 74 74 ARG N N 74 117.370 117.370 118.149 -0.779 18887 4044 1 7 . 1 1 74 74 ARG HA H 74 3.770 3.770 3.935 -0.165 18887 4045 1 7 . 1 1 74 74 ARG C C 74 177.380 177.380 178.597 -1.217 18887 4046 1 7 . 1 1 74 74 ARG CA C 74 59.010 59.010 58.824 0.186 18887 4047 1 7 . 1 1 74 74 ARG CB C 74 32.720 32.720 29.815 2.905 18887 4048 1 7 . 1 1 74 74 ARG H H 74 6.830 6.830 7.566 -0.736 18887 4049 1 7 . 1 1 75 75 PHE N N 75 112.920 112.920 116.102 -3.182 18887 4050 1 7 . 1 1 75 75 PHE HA H 75 4.280 4.280 4.565 -0.285 18887 4051 1 7 . 1 1 75 75 PHE C C 75 174.870 174.870 177.319 -2.449 18887 4052 1 7 . 1 1 75 75 PHE CA C 75 57.370 57.370 57.519 -0.149 18887 4053 1 7 . 1 1 75 75 PHE CB C 75 39.380 39.380 38.226 1.154 18887 4054 1 7 . 1 1 75 75 PHE H H 75 7.670 7.670 7.328 0.342 18887 4055 1 7 . 1 1 76 76 ASP N N 76 121.780 121.780 121.172 0.608 18887 4056 1 7 . 1 1 76 76 ASP HA H 76 4.380 4.380 4.527 -0.147 18887 4057 1 7 . 1 1 76 76 ASP C C 76 177.380 177.380 177.701 -0.321 18887 4058 1 7 . 1 1 76 76 ASP CA C 76 57.700 57.700 56.612 1.088 18887 4059 1 7 . 1 1 76 76 ASP CB C 76 41.270 41.270 40.878 0.392 18887 4060 1 7 . 1 1 76 76 ASP H H 76 7.210 7.210 7.696 -0.486 18887 4061 1 7 . 1 1 77 77 GLY N N 77 111.910 111.910 106.711 5.199 18887 4062 1 7 . 1 1 77 77 GLY C C 77 174.310 174.310 174.463 -0.153 18887 4063 1 7 . 1 1 77 77 GLY CA C 77 46.290 46.290 45.468 0.822 18887 4064 1 7 . 1 1 77 77 GLY H H 77 8.920 8.920 7.925 0.995 18887 4065 1 7 . 1 1 78 78 LYS N N 78 117.910 117.910 119.455 -1.545 18887 4066 1 7 . 1 1 78 78 LYS HA H 78 4.540 4.540 4.785 -0.245 18887 4067 1 7 . 1 1 78 78 LYS C C 78 175.910 175.910 175.600 0.310 18887 4068 1 7 . 1 1 78 78 LYS CA C 78 53.410 53.410 54.803 -1.393 18887 4069 1 7 . 1 1 78 78 LYS CB C 78 32.780 32.780 35.394 -2.614 18887 4070 1 7 . 1 1 78 78 LYS H H 78 7.700 7.700 7.506 0.194 18887 4071 1 7 . 1 1 79 79 VAL N N 79 124.500 124.500 120.730 3.770 18887 4072 1 7 . 1 1 79 79 VAL HA H 79 3.850 3.850 4.282 -0.432 18887 4073 1 7 . 1 1 79 79 VAL C C 79 174.140 174.140 174.498 -0.358 18887 4074 1 7 . 1 1 79 79 VAL CA C 79 64.810 64.810 61.608 3.202 18887 4075 1 7 . 1 1 79 79 VAL CB C 79 32.390 32.390 32.808 -0.418 18887 4076 1 7 . 1 1 79 79 VAL H H 79 8.890 8.890 8.215 0.675 18887 4077 1 7 . 1 1 80 80 VAL N N 80 125.810 125.810 125.794 0.016 18887 4078 1 7 . 1 1 80 80 VAL HA H 80 4.690 4.690 4.857 -0.167 18887 4079 1 7 . 1 1 80 80 VAL C C 80 175.270 175.270 175.001 0.269 18887 4080 1 7 . 1 1 80 80 VAL CA C 80 60.670 60.670 60.383 0.287 18887 4081 1 7 . 1 1 80 80 VAL CB C 80 35.970 35.970 34.104 1.866 18887 4082 1 7 . 1 1 80 80 VAL H H 80 7.860 7.860 8.441 -0.581 18887 4083 1 7 . 1 1 81 81 LEU N N 81 110.550 110.550 129.424 -18.874 18887 4084 1 7 . 1 1 81 81 LEU HA H 81 4.490 4.490 4.790 -0.300 18887 4085 1 7 . 1 1 81 81 LEU C C 81 173.930 173.930 175.015 -1.085 18887 4086 1 7 . 1 1 81 81 LEU CA C 81 54.410 54.410 53.926 0.484 18887 4087 1 7 . 1 1 81 81 LEU CB C 81 45.100 45.100 43.642 1.458 18887 4088 1 7 . 1 1 81 81 LEU H H 81 8.790 8.790 9.205 -0.415 18887 4089 1 7 . 1 1 82 82 GLU N N 82 111.070 111.070 125.771 -14.701 18887 4090 1 7 . 1 1 82 82 GLU HA H 82 5.460 5.460 4.776 0.684 18887 4091 1 7 . 1 1 82 82 GLU C C 82 175.440 175.440 175.531 -0.091 18887 4092 1 7 . 1 1 82 82 GLU CA C 82 56.010 56.010 56.236 -0.226 18887 4093 1 7 . 1 1 82 82 GLU CB C 82 32.100 32.100 31.275 0.825 18887 4094 1 7 . 1 1 82 82 GLU H H 82 8.750 8.750 8.733 0.017 18887 4095 1 7 . 1 1 83 83 VAL N N 83 119.980 119.980 118.531 1.449 18887 4096 1 7 . 1 1 83 83 VAL HA H 83 4.950 4.950 4.672 0.278 18887 4097 1 7 . 1 1 83 83 VAL C C 83 172.120 172.120 173.195 -1.075 18887 4098 1 7 . 1 1 83 83 VAL CA C 83 58.760 58.760 58.233 0.527 18887 4099 1 7 . 1 1 83 83 VAL CB C 83 34.570 34.570 33.300 1.270 18887 4100 1 7 . 1 1 83 83 VAL H H 83 9.390 9.390 8.840 0.550 18887 4101 1 7 . 1 1 84 84 PRO HA H 84 4.740 4.740 4.495 0.245 18887 4102 1 7 . 1 1 84 84 PRO C C 84 178.300 178.300 177.912 0.388 18887 4103 1 7 . 1 1 84 84 PRO CA C 84 63.330 63.330 62.630 0.700 18887 4104 1 7 . 1 1 84 84 PRO CB C 84 33.430 33.430 32.180 1.250 18887 4105 1 7 . 1 1 85 85 VAL N N 85 122.390 122.390 122.381 0.009 18887 4106 1 7 . 1 1 85 85 VAL HA H 85 3.320 3.320 3.776 -0.456 18887 4107 1 7 . 1 1 85 85 VAL C C 85 174.190 174.190 176.459 -2.269 18887 4108 1 7 . 1 1 85 85 VAL CA C 85 66.540 66.540 64.360 2.180 18887 4109 1 7 . 1 1 85 85 VAL CB C 85 32.970 32.970 31.843 1.127 18887 4110 1 7 . 1 1 85 85 VAL H H 85 7.240 7.240 8.668 -1.428 18887 4111 1 7 . 1 1 86 86 SER N N 86 125.590 125.590 112.855 12.735 18887 4112 1 7 . 1 1 86 86 SER HA H 86 4.020 4.020 4.110 -0.090 18887 4113 1 7 . 1 1 86 86 SER C C 86 176.940 176.940 175.747 1.193 18887 4114 1 7 . 1 1 86 86 SER CA C 86 60.200 60.200 60.252 -0.052 18887 4115 1 7 . 1 1 86 86 SER CB C 86 64.060 64.060 62.620 1.440 18887 4116 1 7 . 1 1 86 86 SER H H 86 7.600 7.600 7.950 -0.350 18887 4117 1 7 . 1 1 87 87 ALA N N 87 125.200 125.200 124.960 0.240 18887 4118 1 7 . 1 1 87 87 ALA HA H 87 4.280 4.280 4.320 -0.040 18887 4119 1 7 . 1 1 87 87 ALA C C 87 177.370 177.370 176.438 0.932 18887 4120 1 7 . 1 1 87 87 ALA CA C 87 57.600 57.600 55.952 1.648 18887 4121 1 7 . 1 1 87 87 ALA CB C 87 16.620 16.620 16.640 -0.020 18887 4122 1 7 . 1 1 87 87 ALA H H 87 7.870 7.870 7.752 0.118 18887 4123 1 7 . 1 1 88 88 PRO HA H 88 4.000 4.000 4.305 -0.305 18887 4124 1 7 . 1 1 88 88 PRO C C 88 175.090 175.090 176.880 -1.790 18887 4125 1 7 . 1 1 88 88 PRO CA C 88 65.410 65.410 64.784 0.626 18887 4126 1 7 . 1 1 88 88 PRO CB C 88 32.130 32.130 31.099 1.031 18887 4127 1 7 . 1 1 89 89 ILE N N 89 114.700 114.700 117.132 -2.432 18887 4128 1 7 . 1 1 89 89 ILE HA H 89 3.310 3.310 3.988 -0.678 18887 4129 1 7 . 1 1 89 89 ILE C C 89 177.850 177.850 177.274 0.576 18887 4130 1 7 . 1 1 89 89 ILE CA C 89 66.320 66.320 63.517 2.803 18887 4131 1 7 . 1 1 89 89 ILE CB C 89 38.790 38.790 38.175 0.615 18887 4132 1 7 . 1 1 89 89 ILE H H 89 6.300 6.300 7.251 -0.951 18887 4133 1 7 . 1 1 90 90 LYS N N 90 118.530 118.530 117.598 0.932 18887 4134 1 7 . 1 1 90 90 LYS HA H 90 4.060 4.060 4.410 -0.350 18887 4135 1 7 . 1 1 90 90 LYS C C 90 177.390 177.390 177.393 -0.003 18887 4136 1 7 . 1 1 90 90 LYS CA C 90 59.710 59.710 56.756 2.954 18887 4137 1 7 . 1 1 90 90 LYS CB C 90 33.940 33.940 33.324 0.616 18887 4138 1 7 . 1 1 90 90 LYS H H 90 7.440 7.440 7.699 -0.259 18887 4139 1 7 . 1 1 91 91 ASP N N 91 114.670 114.670 119.295 -4.625 18887 4140 1 7 . 1 1 91 91 ASP HA H 91 4.530 4.530 4.763 -0.233 18887 4141 1 7 . 1 1 91 91 ASP C C 91 174.350 174.350 176.435 -2.085 18887 4142 1 7 . 1 1 91 91 ASP CA C 91 55.120 55.120 52.747 2.373 18887 4143 1 7 . 1 1 91 91 ASP CB C 91 41.530 41.530 41.372 0.158 18887 4144 1 7 . 1 1 91 91 ASP H H 91 7.700 7.700 8.350 -0.650 18887 4145 1 7 . 1 1 92 92 ALA N N 92 111.350 111.350 123.096 -11.746 18887 4146 1 7 . 1 1 92 92 ALA HA H 92 3.830 3.830 3.919 -0.089 18887 4147 1 7 . 1 1 92 92 ALA C C 92 169.330 169.330 179.229 -9.899 18887 4148 1 7 . 1 1 92 92 ALA CA C 92 57.220 57.220 55.872 1.348 18887 4149 1 7 . 1 1 92 92 ALA CB C 92 20.700 20.700 18.612 2.088 18887 4150 1 7 . 1 1 92 92 ALA H H 92 8.860 8.860 8.238 0.622 18887 4151 1 7 . 1 1 93 93 GLU N N 93 117.860 117.860 117.387 0.473 18887 4152 1 7 . 1 1 93 93 GLU HA H 93 3.860 3.860 3.974 -0.114 18887 4153 1 7 . 1 1 93 93 GLU C C 93 177.970 177.970 178.670 -0.700 18887 4154 1 7 . 1 1 93 93 GLU CA C 93 61.240 61.240 60.042 1.198 18887 4155 1 7 . 1 1 93 93 GLU CB C 93 30.570 30.570 28.718 1.851 18887 4156 1 7 . 1 1 93 93 GLU H H 93 8.520 8.520 8.729 -0.209 18887 4157 1 7 . 1 1 94 94 LYS N N 94 119.790 119.790 120.107 -0.317 18887 4158 1 7 . 1 1 94 94 LYS HA H 94 3.930 3.930 4.168 -0.238 18887 4159 1 7 . 1 1 94 94 LYS C C 94 169.840 169.840 178.803 -8.963 18887 4160 1 7 . 1 1 94 94 LYS CA C 94 60.600 60.600 58.415 2.185 18887 4161 1 7 . 1 1 94 94 LYS CB C 94 33.550 33.550 31.791 1.759 18887 4162 1 7 . 1 1 94 94 LYS H H 94 7.670 7.670 7.369 0.301 18887 4163 1 7 . 1 1 95 95 VAL N N 95 118.850 118.850 120.523 -1.673 18887 4164 1 7 . 1 1 95 95 VAL HA H 95 3.590 3.590 3.590 -0.000 18887 4165 1 7 . 1 1 95 95 VAL C C 95 176.620 176.620 178.015 -1.395 18887 4166 1 7 . 1 1 95 95 VAL CA C 95 67.220 67.220 67.013 0.207 18887 4167 1 7 . 1 1 95 95 VAL CB C 95 32.880 32.880 31.741 1.139 18887 4168 1 7 . 1 1 95 95 VAL H H 95 7.150 7.150 8.457 -1.307 18887 4169 1 7 . 1 1 96 96 ILE N N 96 119.120 119.120 120.202 -1.082 18887 4170 1 7 . 1 1 96 96 ILE HA H 96 3.380 3.380 3.546 -0.166 18887 4171 1 7 . 1 1 96 96 ILE C C 96 177.750 177.750 178.004 -0.254 18887 4172 1 7 . 1 1 96 96 ILE CA C 96 67.190 67.190 65.611 1.579 18887 4173 1 7 . 1 1 96 96 ILE CB C 96 38.440 38.440 37.448 0.992 18887 4174 1 7 . 1 1 96 96 ILE H H 96 8.380 8.380 8.137 0.243 18887 4175 1 7 . 1 1 97 97 ASN N N 97 117.000 117.000 117.987 -0.987 18887 4176 1 7 . 1 1 97 97 ASN HA H 97 4.420 4.420 4.472 -0.052 18887 4177 1 7 . 1 1 97 97 ASN C C 97 178.380 178.380 177.606 0.774 18887 4178 1 7 . 1 1 97 97 ASN CA C 97 57.430 57.430 56.458 0.972 18887 4179 1 7 . 1 1 97 97 ASN CB C 97 39.030 39.030 38.449 0.581 18887 4180 1 7 . 1 1 97 97 ASN H H 97 8.730 8.730 8.087 0.643 18887 4181 1 7 . 1 1 98 98 ALA N N 98 123.790 123.790 122.774 1.016 18887 4182 1 7 . 1 1 98 98 ALA HA H 98 4.100 4.100 4.191 -0.091 18887 4183 1 7 . 1 1 98 98 ALA C C 98 169.600 169.600 179.788 -10.188 18887 4184 1 7 . 1 1 98 98 ALA CA C 98 55.890 55.890 54.734 1.156 18887 4185 1 7 . 1 1 98 98 ALA CB C 98 18.850 18.850 18.313 0.537 18887 4186 1 7 . 1 1 98 98 ALA H H 98 7.950 7.950 8.055 -0.105 18887 4187 1 7 . 1 1 99 99 ALA N N 99 122.120 122.120 121.831 0.289 18887 4188 1 7 . 1 1 99 99 ALA HA H 99 3.930 3.930 3.984 -0.054 18887 4189 1 7 . 1 1 99 99 ALA C C 99 178.700 178.700 179.804 -1.104 18887 4190 1 7 . 1 1 99 99 ALA CA C 99 55.920 55.920 54.720 1.200 18887 4191 1 7 . 1 1 99 99 ALA CB C 99 18.960 18.960 18.452 0.508 18887 4192 1 7 . 1 1 99 99 ALA H H 99 7.930 7.930 8.192 -0.262 18887 4193 1 7 . 1 1 100 100 LEU N N 100 115.870 115.870 118.248 -2.378 18887 4194 1 7 . 1 1 100 100 LEU HA H 100 3.900 3.900 4.021 -0.121 18887 4195 1 7 . 1 1 100 100 LEU C C 100 169.150 169.150 178.386 -9.236 18887 4196 1 7 . 1 1 100 100 LEU CA C 100 58.140 58.140 57.228 0.911 18887 4197 1 7 . 1 1 100 100 LEU CB C 100 41.730 41.730 41.304 0.426 18887 4198 1 7 . 1 1 100 100 LEU H H 100 8.220 8.220 8.031 0.189 18887 4199 1 7 . 1 1 101 101 ALA N N 101 120.410 120.410 121.595 -1.185 18887 4200 1 7 . 1 1 101 101 ALA HA H 101 4.100 4.100 4.113 -0.013 18887 4201 1 7 . 1 1 101 101 ALA C C 101 169.730 169.730 179.593 -9.863 18887 4202 1 7 . 1 1 101 101 ALA CA C 101 55.680 55.680 54.784 0.896 18887 4203 1 7 . 1 1 101 101 ALA CB C 101 18.860 18.860 18.114 0.746 18887 4204 1 7 . 1 1 101 101 ALA H H 101 7.970 7.970 7.684 0.286 18887 4205 1 7 . 1 1 102 102 LEU N N 102 115.090 115.090 117.712 -2.622 18887 4206 1 7 . 1 1 102 102 LEU HA H 102 4.120 4.120 4.202 -0.082 18887 4207 1 7 . 1 1 102 102 LEU C C 102 169.060 169.060 178.119 -9.059 18887 4208 1 7 . 1 1 102 102 LEU CA C 102 57.870 57.870 57.502 0.368 18887 4209 1 7 . 1 1 102 102 LEU CB C 102 43.730 43.730 41.481 2.249 18887 4210 1 7 . 1 1 102 102 LEU H H 102 7.330 7.330 7.790 -0.460 18887 4211 1 7 . 1 1 103 103 ILE N N 103 110.170 110.170 113.404 -3.234 18887 4212 1 7 . 1 1 103 103 ILE HA H 103 4.430 4.430 4.177 0.253 18887 4213 1 7 . 1 1 103 103 ILE C C 103 176.670 176.670 177.518 -0.848 18887 4214 1 7 . 1 1 103 103 ILE CA C 103 62.520 62.520 62.090 0.430 18887 4215 1 7 . 1 1 103 103 ILE CB C 103 40.020 40.020 38.870 1.150 18887 4216 1 7 . 1 1 103 103 ILE H H 103 7.140 7.140 7.421 -0.281 18887 4217 1 7 . 1 1 104 104 ASP N N 104 122.560 122.560 119.425 3.135 18887 4218 1 7 . 1 1 104 104 ASP HA H 104 4.650 4.650 4.604 0.046 18887 4219 1 7 . 1 1 104 104 ASP C C 104 176.670 176.670 176.519 0.151 18887 4220 1 7 . 1 1 104 104 ASP CA C 104 56.220 56.220 55.906 0.314 18887 4221 1 7 . 1 1 104 104 ASP CB C 104 42.080 42.080 42.191 -0.110 18887 4222 1 7 . 1 1 104 104 ASP H H 104 8.000 8.000 8.294 -0.294 18887 4223 1 7 . 1 1 105 105 GLU N N 105 120.750 120.750 113.362 7.388 18887 4224 1 7 . 1 1 105 105 GLU HA H 105 4.300 4.300 4.104 0.196 18887 4225 1 7 . 1 1 105 105 GLU C C 105 175.470 175.470 175.652 -0.182 18887 4226 1 7 . 1 1 105 105 GLU CA C 105 57.640 57.640 57.836 -0.196 18887 4227 1 7 . 1 1 105 105 GLU CB C 105 30.870 30.870 27.867 3.002 18887 4228 1 7 . 1 1 105 105 GLU H H 105 8.030 8.030 7.886 0.144 18887 4229 1 8 . 1 1 2 2 LYS N N 2 120.950 120.950 118.102 2.848 18887 4230 1 8 . 1 1 2 2 LYS HA H 2 4.330 4.330 3.984 0.346 18887 4231 1 8 . 1 1 2 2 LYS C C 2 176.040 176.040 175.536 0.504 18887 4232 1 8 . 1 1 2 2 LYS CA C 2 57.850 57.850 57.313 0.537 18887 4233 1 8 . 1 1 2 2 LYS CB C 2 33.480 33.480 30.140 3.340 18887 4234 1 8 . 1 1 2 2 LYS H H 2 8.220 8.220 8.476 -0.256 18887 4235 1 8 . 1 1 3 3 ARG N N 3 120.340 120.340 120.067 0.273 18887 4236 1 8 . 1 1 3 3 ARG HA H 3 4.660 4.660 4.336 0.324 18887 4237 1 8 . 1 1 3 3 ARG C C 3 175.960 175.960 175.618 0.342 18887 4238 1 8 . 1 1 3 3 ARG CA C 3 53.810 53.810 54.864 -1.054 18887 4239 1 8 . 1 1 3 3 ARG CB C 3 29.710 29.710 31.782 -2.072 18887 4240 1 8 . 1 1 3 3 ARG H H 3 8.220 8.220 7.616 0.604 18887 4241 1 8 . 1 1 4 4 LYS N N 4 121.540 121.540 124.930 -3.390 18887 4242 1 8 . 1 1 4 4 LYS HA H 4 4.770 4.770 4.987 -0.217 18887 4243 1 8 . 1 1 4 4 LYS C C 4 174.820 174.820 176.004 -1.184 18887 4244 1 8 . 1 1 4 4 LYS CA C 4 57.230 57.230 55.525 1.705 18887 4245 1 8 . 1 1 4 4 LYS CB C 4 33.800 33.800 32.305 1.495 18887 4246 1 8 . 1 1 4 4 LYS H H 4 8.880 8.880 8.676 0.204 18887 4247 1 8 . 1 1 5 5 ILE N N 5 125.030 125.030 125.426 -0.396 18887 4248 1 8 . 1 1 5 5 ILE HA H 5 4.530 4.530 4.518 0.012 18887 4249 1 8 . 1 1 5 5 ILE C C 5 175.420 175.420 174.516 0.904 18887 4250 1 8 . 1 1 5 5 ILE CA C 5 61.120 61.120 60.112 1.008 18887 4251 1 8 . 1 1 5 5 ILE CB C 5 41.880 41.880 41.136 0.744 18887 4252 1 8 . 1 1 5 5 ILE H H 5 8.760 8.760 8.637 0.123 18887 4253 1 8 . 1 1 6 6 ILE N N 6 119.270 119.270 122.744 -3.474 18887 4254 1 8 . 1 1 6 6 ILE HA H 6 5.440 5.440 5.020 0.420 18887 4255 1 8 . 1 1 6 6 ILE C C 6 173.880 173.880 173.741 0.139 18887 4256 1 8 . 1 1 6 6 ILE CA C 6 60.480 60.480 58.082 2.398 18887 4257 1 8 . 1 1 6 6 ILE CB C 6 42.120 42.120 38.181 3.939 18887 4258 1 8 . 1 1 6 6 ILE H H 6 8.110 8.110 8.020 0.090 18887 4259 1 8 . 1 1 7 7 ALA N N 7 122.330 122.330 129.290 -6.960 18887 4260 1 8 . 1 1 7 7 ALA HA H 7 5.780 5.780 5.160 0.620 18887 4261 1 8 . 1 1 7 7 ALA C C 7 173.950 173.950 175.128 -1.178 18887 4262 1 8 . 1 1 7 7 ALA CA C 7 51.280 51.280 50.081 1.198 18887 4263 1 8 . 1 1 7 7 ALA CB C 7 25.930 25.930 23.084 2.846 18887 4264 1 8 . 1 1 7 7 ALA H H 7 8.790 8.790 9.012 -0.222 18887 4265 1 8 . 1 1 8 8 VAL N N 8 119.860 119.860 123.361 -3.501 18887 4266 1 8 . 1 1 8 8 VAL HA H 8 5.190 5.190 4.988 0.202 18887 4267 1 8 . 1 1 8 8 VAL C C 8 175.590 175.590 175.237 0.353 18887 4268 1 8 . 1 1 8 8 VAL CA C 8 61.340 61.340 60.944 0.396 18887 4269 1 8 . 1 1 8 8 VAL CB C 8 36.650 36.650 35.143 1.507 18887 4270 1 8 . 1 1 8 8 VAL H H 8 8.950 8.950 8.801 0.149 18887 4271 1 8 . 1 1 9 9 THR N N 9 116.320 116.320 119.306 -2.986 18887 4272 1 8 . 1 1 9 9 THR HA H 9 5.500 5.500 5.337 0.163 18887 4273 1 8 . 1 1 9 9 THR C C 9 172.920 172.920 173.621 -0.701 18887 4274 1 8 . 1 1 9 9 THR CA C 9 59.470 59.470 59.517 -0.047 18887 4275 1 8 . 1 1 9 9 THR CB C 9 71.510 71.510 69.558 1.952 18887 4276 1 8 . 1 1 9 9 THR H H 9 8.860 8.860 9.219 -0.359 18887 4277 1 8 . 1 1 10 10 ALA N N 10 121.780 121.780 129.495 -7.715 18887 4278 1 8 . 1 1 10 10 ALA HA H 10 4.800 4.800 5.291 -0.491 18887 4279 1 8 . 1 1 10 10 ALA C C 10 174.680 174.680 175.856 -1.176 18887 4280 1 8 . 1 1 10 10 ALA CA C 10 54.300 54.300 50.638 3.663 18887 4281 1 8 . 1 1 10 10 ALA CB C 10 22.940 22.940 21.119 1.821 18887 4282 1 8 . 1 1 10 10 ALA H H 10 7.710 7.710 8.709 -0.999 18887 4283 1 8 . 1 1 11 11 CYS N N 11 121.780 121.780 122.331 -0.551 18887 4284 1 8 . 1 1 11 11 CYS HA H 11 5.160 5.160 4.698 0.462 18887 4285 1 8 . 1 1 11 11 CYS C C 11 174.700 174.700 173.480 1.220 18887 4286 1 8 . 1 1 11 11 CYS CA C 11 57.150 57.150 57.376 -0.226 18887 4287 1 8 . 1 1 11 11 CYS CB C 11 30.830 30.830 31.123 -0.293 18887 4288 1 8 . 1 1 11 11 CYS H H 11 8.140 8.140 8.637 -0.497 18887 4289 1 8 . 1 1 12 12 ALA N N 12 113.900 113.900 130.137 -16.237 18887 4290 1 8 . 1 1 12 12 ALA HA H 12 4.220 4.220 4.462 -0.242 18887 4291 1 8 . 1 1 12 12 ALA C C 12 168.950 168.950 177.584 -8.634 18887 4292 1 8 . 1 1 12 12 ALA CA C 12 55.270 55.270 53.768 1.502 18887 4293 1 8 . 1 1 12 12 ALA CB C 12 20.320 20.320 19.800 0.520 18887 4294 1 8 . 1 1 12 12 ALA H H 12 10.630 10.630 8.884 1.746 18887 4295 1 8 . 1 1 13 13 THR N N 13 109.490 109.490 112.167 -2.677 18887 4296 1 8 . 1 1 13 13 THR HA H 13 4.390 4.390 4.402 -0.012 18887 4297 1 8 . 1 1 13 13 THR C C 13 174.870 174.870 174.969 -0.099 18887 4298 1 8 . 1 1 13 13 THR CA C 13 62.910 62.910 62.178 0.732 18887 4299 1 8 . 1 1 13 13 THR CB C 13 70.640 70.640 68.453 2.187 18887 4300 1 8 . 1 1 13 13 THR H H 13 8.180 8.180 7.990 0.190 18887 4301 1 8 . 1 1 14 14 GLY N N 14 111.450 111.450 116.089 -4.639 18887 4302 1 8 . 1 1 14 14 GLY C C 14 173.680 173.680 175.720 -2.040 18887 4303 1 8 . 1 1 14 14 GLY CA C 14 47.050 47.050 44.834 2.216 18887 4304 1 8 . 1 1 14 14 GLY H H 14 7.880 7.880 8.392 -0.512 18887 4305 1 8 . 1 1 15 15 VAL N N 15 119.530 119.530 117.833 1.697 18887 4306 1 8 . 1 1 15 15 VAL HA H 15 4.110 4.110 3.964 0.146 18887 4307 1 8 . 1 1 15 15 VAL C C 15 176.860 176.860 176.917 -0.057 18887 4308 1 8 . 1 1 15 15 VAL CA C 15 64.740 64.740 64.727 0.013 18887 4309 1 8 . 1 1 15 15 VAL CB C 15 33.690 33.690 31.246 2.444 18887 4310 1 8 . 1 1 15 15 VAL H H 15 8.250 8.250 8.275 -0.025 18887 4311 1 8 . 1 1 16 16 ALA N N 16 123.230 123.230 123.352 -0.122 18887 4312 1 8 . 1 1 16 16 ALA HA H 16 4.230 4.230 4.127 0.103 18887 4313 1 8 . 1 1 16 16 ALA C C 16 170.610 170.610 179.358 -8.748 18887 4314 1 8 . 1 1 16 16 ALA CA C 16 56.280 56.280 54.518 1.762 18887 4315 1 8 . 1 1 16 16 ALA CB C 16 19.320 19.320 18.180 1.140 18887 4316 1 8 . 1 1 16 16 ALA H H 16 8.430 8.430 8.165 0.265 18887 4317 1 8 . 1 1 17 17 HIS HA H 17 4.380 4.380 4.329 0.051 18887 4318 1 8 . 1 1 17 17 HIS C C 17 177.260 177.260 177.806 -0.546 18887 4319 1 8 . 1 1 17 17 HIS CA C 17 60.060 60.060 59.857 0.203 18887 4320 1 8 . 1 1 17 17 HIS CB C 17 31.990 31.990 29.667 2.323 18887 4321 1 8 . 1 1 18 18 THR N N 18 115.830 115.830 116.775 -0.945 18887 4322 1 8 . 1 1 18 18 THR HA H 18 3.540 3.540 4.021 -0.481 18887 4323 1 8 . 1 1 18 18 THR C C 18 176.690 176.690 176.431 0.259 18887 4324 1 8 . 1 1 18 18 THR CA C 18 67.700 67.700 67.373 0.327 18887 4325 1 8 . 1 1 18 18 THR CB C 18 69.550 69.550 68.739 0.811 18887 4326 1 8 . 1 1 18 18 THR H H 18 7.590 7.590 7.717 -0.127 18887 4327 1 8 . 1 1 19 19 TYR N N 19 121.050 121.050 120.189 0.861 18887 4328 1 8 . 1 1 19 19 TYR HA H 19 4.340 4.340 4.441 -0.101 18887 4329 1 8 . 1 1 19 19 TYR C C 19 178.420 178.420 177.830 0.590 18887 4330 1 8 . 1 1 19 19 TYR CA C 19 61.220 61.220 61.475 -0.255 18887 4331 1 8 . 1 1 19 19 TYR CB C 19 38.400 38.400 38.127 0.274 18887 4332 1 8 . 1 1 19 19 TYR H H 19 7.710 7.710 7.584 0.126 18887 4333 1 8 . 1 1 20 20 MET N N 20 120.220 120.220 119.949 0.271 18887 4334 1 8 . 1 1 20 20 MET HA H 20 4.160 4.160 4.133 0.026 18887 4335 1 8 . 1 1 20 20 MET C C 20 169.550 169.550 177.879 -8.329 18887 4336 1 8 . 1 1 20 20 MET CA C 20 60.050 60.050 56.743 3.307 18887 4337 1 8 . 1 1 20 20 MET CB C 20 34.410 34.410 32.097 2.313 18887 4338 1 8 . 1 1 20 20 MET H H 20 8.470 8.470 8.276 0.194 18887 4339 1 8 . 1 1 21 21 ALA N N 21 122.280 122.280 121.856 0.424 18887 4340 1 8 . 1 1 21 21 ALA HA H 21 3.870 3.870 3.992 -0.122 18887 4341 1 8 . 1 1 21 21 ALA C C 21 178.630 178.630 179.117 -0.487 18887 4342 1 8 . 1 1 21 21 ALA CA C 21 56.760 56.760 55.460 1.300 18887 4343 1 8 . 1 1 21 21 ALA CB C 21 19.690 19.690 18.122 1.568 18887 4344 1 8 . 1 1 21 21 ALA H H 21 8.490 8.490 8.325 0.165 18887 4345 1 8 . 1 1 22 22 ALA N N 22 120.240 120.240 120.624 -0.384 18887 4346 1 8 . 1 1 22 22 ALA HA H 22 3.900 3.900 3.860 0.040 18887 4347 1 8 . 1 1 22 22 ALA C C 22 169.200 169.200 179.798 -10.598 18887 4348 1 8 . 1 1 22 22 ALA CA C 22 56.880 56.880 55.015 1.865 18887 4349 1 8 . 1 1 22 22 ALA CB C 22 19.560 19.560 18.260 1.300 18887 4350 1 8 . 1 1 22 22 ALA H H 22 7.660 7.660 7.631 0.029 18887 4351 1 8 . 1 1 23 23 GLN N N 23 116.680 116.680 118.901 -2.221 18887 4352 1 8 . 1 1 23 23 GLN HA H 23 3.940 3.940 3.986 -0.046 18887 4353 1 8 . 1 1 23 23 GLN C C 23 178.500 178.500 178.536 -0.036 18887 4354 1 8 . 1 1 23 23 GLN CA C 23 59.550 59.550 58.846 0.703 18887 4355 1 8 . 1 1 23 23 GLN CB C 23 29.660 29.660 28.800 0.860 18887 4356 1 8 . 1 1 23 23 GLN H H 23 8.430 8.430 7.889 0.541 18887 4357 1 8 . 1 1 24 24 ALA N N 24 121.760 121.760 122.736 -0.976 18887 4358 1 8 . 1 1 24 24 ALA HA H 24 4.140 4.140 4.045 0.095 18887 4359 1 8 . 1 1 24 24 ALA C C 24 171.490 171.490 179.468 -7.978 18887 4360 1 8 . 1 1 24 24 ALA CA C 24 56.060 56.060 55.211 0.849 18887 4361 1 8 . 1 1 24 24 ALA CB C 24 19.760 19.760 18.607 1.153 18887 4362 1 8 . 1 1 24 24 ALA H H 24 8.130 8.130 8.285 -0.155 18887 4363 1 8 . 1 1 25 25 LEU N N 25 118.730 118.730 120.709 -1.979 18887 4364 1 8 . 1 1 25 25 LEU HA H 25 3.850 3.850 4.022 -0.172 18887 4365 1 8 . 1 1 25 25 LEU C C 25 177.990 177.990 178.434 -0.444 18887 4366 1 8 . 1 1 25 25 LEU CA C 25 59.280 59.280 57.869 1.411 18887 4367 1 8 . 1 1 25 25 LEU CB C 25 43.190 43.190 41.670 1.520 18887 4368 1 8 . 1 1 25 25 LEU H H 25 8.030 8.030 8.424 -0.394 18887 4369 1 8 . 1 1 26 26 LYS N N 26 118.850 118.850 119.058 -0.208 18887 4370 1 8 . 1 1 26 26 LYS HA H 26 3.840 3.840 3.898 -0.058 18887 4371 1 8 . 1 1 26 26 LYS C C 26 169.460 169.460 178.984 -9.524 18887 4372 1 8 . 1 1 26 26 LYS CA C 26 61.420 61.420 59.719 1.701 18887 4373 1 8 . 1 1 26 26 LYS CB C 26 33.440 33.440 32.237 1.203 18887 4374 1 8 . 1 1 26 26 LYS H H 26 8.000 8.000 8.056 -0.056 18887 4375 1 8 . 1 1 27 27 LYS N N 27 120.350 120.350 118.778 1.572 18887 4376 1 8 . 1 1 27 27 LYS HA H 27 3.990 3.990 4.121 -0.131 18887 4377 1 8 . 1 1 27 27 LYS C C 27 169.670 169.670 179.224 -9.554 18887 4378 1 8 . 1 1 27 27 LYS CA C 27 60.700 60.700 58.751 1.949 18887 4379 1 8 . 1 1 27 27 LYS CB C 27 33.620 33.620 32.114 1.506 18887 4380 1 8 . 1 1 27 27 LYS H H 27 8.350 8.350 8.146 0.204 18887 4381 1 8 . 1 1 28 28 GLY N N 28 125.170 125.170 106.432 18.738 18887 4382 1 8 . 1 1 28 28 GLY C C 28 174.520 174.520 175.826 -1.306 18887 4383 1 8 . 1 1 28 28 GLY CA C 28 47.870 47.870 46.931 0.939 18887 4384 1 8 . 1 1 28 28 GLY H H 28 8.410 8.410 8.271 0.139 18887 4385 1 8 . 1 1 29 29 ALA N N 29 122.370 122.370 123.882 -1.512 18887 4386 1 8 . 1 1 29 29 ALA HA H 29 3.820 3.820 4.139 -0.319 18887 4387 1 8 . 1 1 29 29 ALA C C 29 169.050 169.050 179.209 -10.159 18887 4388 1 8 . 1 1 29 29 ALA CA C 29 56.840 56.840 54.501 2.339 18887 4389 1 8 . 1 1 29 29 ALA CB C 29 18.800 18.800 18.299 0.501 18887 4390 1 8 . 1 1 29 29 ALA H H 29 8.280 8.280 7.892 0.388 18887 4391 1 8 . 1 1 30 30 LYS N N 30 117.490 117.490 119.232 -1.742 18887 4392 1 8 . 1 1 30 30 LYS HA H 30 4.130 4.130 4.095 0.035 18887 4393 1 8 . 1 1 30 30 LYS C C 30 170.330 170.330 179.119 -8.789 18887 4394 1 8 . 1 1 30 30 LYS CA C 30 60.420 60.420 58.656 1.764 18887 4395 1 8 . 1 1 30 30 LYS CB C 30 33.230 33.230 32.382 0.848 18887 4396 1 8 . 1 1 30 30 LYS H H 30 7.720 7.720 7.954 -0.234 18887 4397 1 8 . 1 1 31 31 LYS N N 31 121.050 121.050 120.138 0.912 18887 4398 1 8 . 1 1 31 31 LYS HA H 31 4.020 4.020 4.101 -0.081 18887 4399 1 8 . 1 1 31 31 LYS C C 31 178.160 178.160 177.511 0.649 18887 4400 1 8 . 1 1 31 31 LYS CA C 31 60.360 60.360 58.874 1.486 18887 4401 1 8 . 1 1 31 31 LYS CB C 31 33.380 33.380 32.539 0.841 18887 4402 1 8 . 1 1 31 31 LYS H H 31 7.930 7.930 7.737 0.193 18887 4403 1 8 . 1 1 32 32 MET N N 32 114.620 114.620 115.890 -1.270 18887 4404 1 8 . 1 1 32 32 MET HA H 32 4.240 4.240 4.572 -0.332 18887 4405 1 8 . 1 1 32 32 MET C C 32 175.810 175.810 175.992 -0.182 18887 4406 1 8 . 1 1 32 32 MET CA C 32 57.400 57.400 53.621 3.779 18887 4407 1 8 . 1 1 32 32 MET CB C 32 37.710 37.710 32.283 5.426 18887 4408 1 8 . 1 1 32 32 MET H H 32 7.420 7.420 7.427 -0.007 18887 4409 1 8 . 1 1 33 33 GLY N N 33 124.900 124.900 109.905 14.995 18887 4410 1 8 . 1 1 33 33 GLY C C 33 174.340 174.340 173.762 0.578 18887 4411 1 8 . 1 1 33 33 GLY CA C 33 46.830 46.830 46.003 0.827 18887 4412 1 8 . 1 1 33 33 GLY H H 33 7.860 7.860 8.163 -0.303 18887 4413 1 8 . 1 1 34 34 ASN N N 34 116.070 116.070 117.434 -1.364 18887 4414 1 8 . 1 1 34 34 ASN HA H 34 5.210 5.210 5.058 0.152 18887 4415 1 8 . 1 1 34 34 ASN C C 34 173.080 173.080 174.057 -0.977 18887 4416 1 8 . 1 1 34 34 ASN CA C 34 52.770 52.770 52.169 0.602 18887 4417 1 8 . 1 1 34 34 ASN CB C 34 42.880 42.880 42.017 0.863 18887 4418 1 8 . 1 1 34 34 ASN H H 34 8.160 8.160 7.714 0.446 18887 4419 1 8 . 1 1 35 35 LEU N N 35 121.450 121.450 122.574 -1.124 18887 4420 1 8 . 1 1 35 35 LEU HA H 35 4.620 4.620 4.657 -0.037 18887 4421 1 8 . 1 1 35 35 LEU C C 35 174.930 174.930 175.240 -0.310 18887 4422 1 8 . 1 1 35 35 LEU CA C 35 55.150 55.150 53.816 1.334 18887 4423 1 8 . 1 1 35 35 LEU CB C 35 44.760 44.760 42.474 2.286 18887 4424 1 8 . 1 1 35 35 LEU H H 35 8.770 8.770 8.217 0.553 18887 4425 1 8 . 1 1 36 36 ILE N N 36 119.690 119.690 124.552 -4.862 18887 4426 1 8 . 1 1 36 36 ILE HA H 36 5.660 5.660 4.798 0.862 18887 4427 1 8 . 1 1 36 36 ILE C C 36 172.620 172.620 175.096 -2.476 18887 4428 1 8 . 1 1 36 36 ILE CA C 36 59.410 59.410 59.479 -0.069 18887 4429 1 8 . 1 1 36 36 ILE CB C 36 44.340 44.340 40.678 3.662 18887 4430 1 8 . 1 1 36 36 ILE H H 36 8.390 8.390 8.392 -0.002 18887 4431 1 8 . 1 1 37 37 LYS N N 37 126.230 126.230 129.386 -3.156 18887 4432 1 8 . 1 1 37 37 LYS HA H 37 4.590 4.590 4.658 -0.068 18887 4433 1 8 . 1 1 37 37 LYS C C 37 174.340 174.340 174.617 -0.277 18887 4434 1 8 . 1 1 37 37 LYS CA C 37 57.050 57.050 54.041 3.009 18887 4435 1 8 . 1 1 37 37 LYS CB C 37 36.860 36.860 33.137 3.723 18887 4436 1 8 . 1 1 37 37 LYS H H 37 7.210 7.210 9.082 -1.871 18887 4437 1 8 . 1 1 38 38 VAL N N 38 124.270 124.270 125.829 -1.559 18887 4438 1 8 . 1 1 38 38 VAL HA H 38 4.920 4.920 4.774 0.146 18887 4439 1 8 . 1 1 38 38 VAL C C 38 174.660 174.660 175.818 -1.158 18887 4440 1 8 . 1 1 38 38 VAL CA C 38 61.420 61.420 61.449 -0.029 18887 4441 1 8 . 1 1 38 38 VAL CB C 38 35.020 35.020 32.388 2.632 18887 4442 1 8 . 1 1 38 38 VAL H H 38 8.760 8.760 8.660 0.100 18887 4443 1 8 . 1 1 39 39 GLU N N 39 114.800 114.800 128.609 -13.809 18887 4444 1 8 . 1 1 39 39 GLU HA H 39 5.020 5.020 4.579 0.441 18887 4445 1 8 . 1 1 39 39 GLU C C 39 175.680 175.680 175.545 0.135 18887 4446 1 8 . 1 1 39 39 GLU CA C 39 55.680 55.680 54.939 0.741 18887 4447 1 8 . 1 1 39 39 GLU CB C 39 33.940 33.940 32.612 1.328 18887 4448 1 8 . 1 1 39 39 GLU H H 39 9.210 9.210 9.304 -0.094 18887 4449 1 8 . 1 1 40 40 THR N N 40 115.120 115.120 123.416 -8.296 18887 4450 1 8 . 1 1 40 40 THR HA H 40 5.180 5.180 4.851 0.329 18887 4451 1 8 . 1 1 40 40 THR C C 40 174.200 174.200 173.161 1.039 18887 4452 1 8 . 1 1 40 40 THR CA C 40 59.710 59.710 61.858 -2.147 18887 4453 1 8 . 1 1 40 40 THR CB C 40 71.270 71.270 68.809 2.461 18887 4454 1 8 . 1 1 40 40 THR H H 40 8.500 8.500 8.432 0.068 18887 4455 1 8 . 1 1 41 41 GLN N N 41 119.850 119.850 128.388 -8.538 18887 4456 1 8 . 1 1 41 41 GLN HA H 41 4.990 4.990 4.851 0.139 18887 4457 1 8 . 1 1 41 41 GLN C C 41 175.110 175.110 176.323 -1.213 18887 4458 1 8 . 1 1 41 41 GLN CA C 41 54.980 54.980 54.374 0.606 18887 4459 1 8 . 1 1 41 41 GLN CB C 41 29.780 29.780 30.007 -0.227 18887 4460 1 8 . 1 1 41 41 GLN H H 41 8.470 8.470 8.420 0.050 18887 4461 1 8 . 1 1 42 42 GLY N N 42 109.530 109.530 114.802 -5.272 18887 4462 1 8 . 1 1 42 42 GLY C C 42 174.750 174.750 173.738 1.012 18887 4463 1 8 . 1 1 42 42 GLY CA C 42 45.630 45.630 44.777 0.853 18887 4464 1 8 . 1 1 42 42 GLY H H 42 7.890 7.890 8.581 -0.691 18887 4465 1 8 . 1 1 43 43 ALA N N 43 123.850 123.850 128.348 -4.498 18887 4466 1 8 . 1 1 43 43 ALA HA H 43 4.170 4.170 3.893 0.277 18887 4467 1 8 . 1 1 43 43 ALA C C 43 169.490 169.490 176.971 -7.481 18887 4468 1 8 . 1 1 43 43 ALA CA C 43 56.170 56.170 54.681 1.489 18887 4469 1 8 . 1 1 43 43 ALA CB C 43 19.910 19.910 17.101 2.809 18887 4470 1 8 . 1 1 43 43 ALA H H 43 8.730 8.730 8.212 0.518 18887 4471 1 8 . 1 1 44 44 THR N N 44 122.380 122.380 116.080 6.300 18887 4472 1 8 . 1 1 44 44 THR HA H 44 4.390 4.390 4.459 -0.069 18887 4473 1 8 . 1 1 44 44 THR C C 44 174.260 174.260 174.873 -0.613 18887 4474 1 8 . 1 1 44 44 THR CA C 44 62.190 62.190 63.009 -0.819 18887 4475 1 8 . 1 1 44 44 THR CB C 44 70.080 70.080 70.504 -0.424 18887 4476 1 8 . 1 1 44 44 THR H H 44 7.950 7.950 8.083 -0.133 18887 4477 1 8 . 1 1 45 45 GLY N N 45 109.360 109.360 109.595 -0.235 18887 4478 1 8 . 1 1 45 45 GLY C C 45 172.380 172.380 172.577 -0.197 18887 4479 1 8 . 1 1 45 45 GLY CA C 45 45.510 45.510 43.745 1.764 18887 4480 1 8 . 1 1 45 45 GLY H H 45 7.560 7.560 7.579 -0.019 18887 4481 1 8 . 1 1 46 46 ILE N N 46 122.050 122.050 121.013 1.037 18887 4482 1 8 . 1 1 46 46 ILE HA H 46 4.780 4.780 4.284 0.496 18887 4483 1 8 . 1 1 46 46 ILE C C 46 176.010 176.010 174.839 1.171 18887 4484 1 8 . 1 1 46 46 ILE CA C 46 61.950 61.950 60.573 1.377 18887 4485 1 8 . 1 1 46 46 ILE CB C 46 40.810 40.810 40.743 0.067 18887 4486 1 8 . 1 1 46 46 ILE H H 46 8.480 8.480 8.276 0.204 18887 4487 1 8 . 1 1 47 47 GLU N N 47 109.160 109.160 127.609 -18.449 18887 4488 1 8 . 1 1 47 47 GLU HA H 47 4.660 4.660 4.520 0.140 18887 4489 1 8 . 1 1 47 47 GLU C C 47 174.750 174.750 177.003 -2.253 18887 4490 1 8 . 1 1 47 47 GLU CA C 47 55.940 55.940 55.815 0.125 18887 4491 1 8 . 1 1 47 47 GLU CB C 47 33.640 33.640 30.937 2.703 18887 4492 1 8 . 1 1 47 47 GLU H H 47 9.000 9.000 8.865 0.135 18887 4493 1 8 . 1 1 48 48 ASN N N 48 120.510 120.510 121.968 -1.458 18887 4494 1 8 . 1 1 48 48 ASN HA H 48 4.230 4.230 4.306 -0.076 18887 4495 1 8 . 1 1 48 48 ASN C C 48 173.090 173.090 174.256 -1.166 18887 4496 1 8 . 1 1 48 48 ASN CA C 48 54.770 54.770 54.755 0.015 18887 4497 1 8 . 1 1 48 48 ASN CB C 48 38.800 38.800 38.341 0.459 18887 4498 1 8 . 1 1 48 48 ASN H H 48 8.930 8.930 8.743 0.187 18887 4499 1 8 . 1 1 49 49 GLU N N 49 114.160 114.160 119.545 -5.385 18887 4500 1 8 . 1 1 49 49 GLU HA H 49 3.890 3.890 4.074 -0.184 18887 4501 1 8 . 1 1 49 49 GLU C C 49 177.780 177.780 175.576 2.204 18887 4502 1 8 . 1 1 49 49 GLU CA C 49 57.870 57.870 57.207 0.663 18887 4503 1 8 . 1 1 49 49 GLU CB C 49 31.900 31.900 29.319 2.581 18887 4504 1 8 . 1 1 49 49 GLU H H 49 7.690 7.690 8.195 -0.505 18887 4505 1 8 . 1 1 50 50 LEU N N 50 109.440 109.440 127.967 -18.527 18887 4506 1 8 . 1 1 50 50 LEU HA H 50 4.680 4.680 4.297 0.383 18887 4507 1 8 . 1 1 50 50 LEU C C 50 177.490 177.490 176.715 0.775 18887 4508 1 8 . 1 1 50 50 LEU CA C 50 55.520 55.520 55.394 0.126 18887 4509 1 8 . 1 1 50 50 LEU CB C 50 43.440 43.440 42.251 1.189 18887 4510 1 8 . 1 1 50 50 LEU H H 50 9.560 9.560 9.453 0.107 18887 4511 1 8 . 1 1 51 51 THR N N 51 117.490 117.490 117.166 0.324 18887 4512 1 8 . 1 1 51 51 THR HA H 51 4.420 4.420 4.306 0.114 18887 4513 1 8 . 1 1 51 51 THR C C 51 175.010 175.010 175.832 -0.822 18887 4514 1 8 . 1 1 51 51 THR CA C 51 61.230 61.230 61.139 0.091 18887 4515 1 8 . 1 1 51 51 THR CB C 51 72.860 72.860 69.861 2.999 18887 4516 1 8 . 1 1 51 51 THR H H 51 9.380 9.380 8.090 1.290 18887 4517 1 8 . 1 1 52 52 GLU N N 52 120.490 120.490 124.725 -4.235 18887 4518 1 8 . 1 1 52 52 GLU HA H 52 3.860 3.860 3.860 0.000 18887 4519 1 8 . 1 1 52 52 GLU C C 52 178.660 178.660 178.765 -0.105 18887 4520 1 8 . 1 1 52 52 GLU CA C 52 61.130 61.130 60.551 0.579 18887 4521 1 8 . 1 1 52 52 GLU CB C 52 30.280 30.280 29.360 0.920 18887 4522 1 8 . 1 1 52 52 GLU H H 52 8.910 8.910 8.933 -0.023 18887 4523 1 8 . 1 1 53 53 LYS N N 53 118.660 118.660 119.341 -0.681 18887 4524 1 8 . 1 1 53 53 LYS HA H 53 4.020 4.020 4.068 -0.048 18887 4525 1 8 . 1 1 53 53 LYS C C 53 178.190 178.190 178.548 -0.358 18887 4526 1 8 . 1 1 53 53 LYS CA C 53 60.390 60.390 59.109 1.281 18887 4527 1 8 . 1 1 53 53 LYS CB C 53 33.210 33.210 31.778 1.432 18887 4528 1 8 . 1 1 53 53 LYS H H 53 7.890 7.890 8.352 -0.462 18887 4529 1 8 . 1 1 54 54 ASP N N 54 118.400 118.400 119.266 -0.866 18887 4530 1 8 . 1 1 54 54 ASP HA H 54 4.200 4.200 4.449 -0.249 18887 4531 1 8 . 1 1 54 54 ASP C C 54 169.070 169.070 178.793 -9.723 18887 4532 1 8 . 1 1 54 54 ASP CA C 54 58.300 58.300 57.623 0.677 18887 4533 1 8 . 1 1 54 54 ASP CB C 54 43.110 43.110 40.754 2.356 18887 4534 1 8 . 1 1 54 54 ASP H H 54 7.440 7.440 7.491 -0.051 18887 4535 1 8 . 1 1 55 55 VAL N N 55 118.420 118.420 121.042 -2.622 18887 4536 1 8 . 1 1 55 55 VAL HA H 55 3.520 3.520 3.788 -0.268 18887 4537 1 8 . 1 1 55 55 VAL C C 55 176.980 176.980 177.545 -0.565 18887 4538 1 8 . 1 1 55 55 VAL CA C 55 66.950 66.950 66.596 0.354 18887 4539 1 8 . 1 1 55 55 VAL CB C 55 32.360 32.360 31.335 1.025 18887 4540 1 8 . 1 1 55 55 VAL H H 55 8.150 8.150 8.452 -0.302 18887 4541 1 8 . 1 1 56 56 ASN N N 56 117.100 117.100 115.712 1.388 18887 4542 1 8 . 1 1 56 56 ASN HA H 56 4.410 4.410 4.583 -0.173 18887 4543 1 8 . 1 1 56 56 ASN C C 56 177.330 177.330 177.511 -0.181 18887 4544 1 8 . 1 1 56 56 ASN CA C 56 57.170 57.170 55.577 1.593 18887 4545 1 8 . 1 1 56 56 ASN CB C 56 39.930 39.930 39.007 0.923 18887 4546 1 8 . 1 1 56 56 ASN H H 56 8.000 8.000 8.103 -0.103 18887 4547 1 8 . 1 1 57 57 ILE N N 57 115.580 115.580 117.671 -2.091 18887 4548 1 8 . 1 1 57 57 ILE HA H 57 3.950 3.950 4.163 -0.213 18887 4549 1 8 . 1 1 57 57 ILE C C 57 176.980 176.980 176.623 0.357 18887 4550 1 8 . 1 1 57 57 ILE CA C 57 63.240 63.240 61.048 2.192 18887 4551 1 8 . 1 1 57 57 ILE CB C 57 39.890 39.890 37.826 2.064 18887 4552 1 8 . 1 1 57 57 ILE H H 57 7.600 7.600 7.443 0.157 18887 4553 1 8 . 1 1 58 58 GLY N N 58 124.080 124.080 108.395 15.685 18887 4554 1 8 . 1 1 58 58 GLY C C 58 173.190 173.190 174.693 -1.503 18887 4555 1 8 . 1 1 58 58 GLY CA C 58 47.110 47.110 45.231 1.879 18887 4556 1 8 . 1 1 58 58 GLY H H 58 7.630 7.630 8.147 -0.517 18887 4557 1 8 . 1 1 59 59 GLU N N 59 123.240 123.240 126.368 -3.128 18887 4558 1 8 . 1 1 59 59 GLU HA H 59 4.240 4.240 4.344 -0.104 18887 4559 1 8 . 1 1 59 59 GLU C C 59 176.750 176.750 177.139 -0.389 18887 4560 1 8 . 1 1 59 59 GLU CA C 59 59.830 59.830 58.307 1.523 18887 4561 1 8 . 1 1 59 59 GLU CB C 59 33.100 33.100 30.575 2.525 18887 4562 1 8 . 1 1 59 59 GLU H H 59 9.350 9.350 8.810 0.540 18887 4563 1 8 . 1 1 60 60 VAL N N 60 114.370 114.370 113.189 1.181 18887 4564 1 8 . 1 1 60 60 VAL HA H 60 4.410 4.410 4.252 0.158 18887 4565 1 8 . 1 1 60 60 VAL C C 60 170.270 170.270 174.753 -4.483 18887 4566 1 8 . 1 1 60 60 VAL CA C 60 60.710 60.710 61.182 -0.472 18887 4567 1 8 . 1 1 60 60 VAL CB C 60 35.150 35.150 32.887 2.263 18887 4568 1 8 . 1 1 60 60 VAL H H 60 7.640 7.640 7.662 -0.022 18887 4569 1 8 . 1 1 61 61 VAL N N 61 125.780 125.780 123.633 2.147 18887 4570 1 8 . 1 1 61 61 VAL HA H 61 4.970 4.970 4.708 0.262 18887 4571 1 8 . 1 1 61 61 VAL C C 61 174.450 174.450 175.053 -0.603 18887 4572 1 8 . 1 1 61 61 VAL CA C 61 60.260 60.260 60.194 0.065 18887 4573 1 8 . 1 1 61 61 VAL CB C 61 34.710 34.710 32.592 2.119 18887 4574 1 8 . 1 1 61 61 VAL H H 61 8.290 8.290 8.701 -0.411 18887 4575 1 8 . 1 1 62 62 ILE N N 62 124.740 124.740 126.902 -2.162 18887 4576 1 8 . 1 1 62 62 ILE HA H 62 4.820 4.820 5.018 -0.198 18887 4577 1 8 . 1 1 62 62 ILE C C 62 175.020 175.020 174.673 0.347 18887 4578 1 8 . 1 1 62 62 ILE CA C 62 60.490 60.490 59.478 1.012 18887 4579 1 8 . 1 1 62 62 ILE CB C 62 42.560 42.560 40.299 2.261 18887 4580 1 8 . 1 1 62 62 ILE H H 62 8.580 8.580 8.622 -0.042 18887 4581 1 8 . 1 1 63 63 PHE N N 63 109.510 109.510 125.505 -15.995 18887 4582 1 8 . 1 1 63 63 PHE HA H 63 5.490 5.490 5.280 0.210 18887 4583 1 8 . 1 1 63 63 PHE C C 63 173.600 173.600 174.173 -0.573 18887 4584 1 8 . 1 1 63 63 PHE CA C 63 53.020 53.020 55.741 -2.721 18887 4585 1 8 . 1 1 63 63 PHE CB C 63 40.150 40.150 43.039 -2.889 18887 4586 1 8 . 1 1 63 63 PHE H H 63 9.320 9.320 9.061 0.259 18887 4587 1 8 . 1 1 64 64 ALA N N 64 112.790 112.790 126.801 -14.011 18887 4588 1 8 . 1 1 64 64 ALA HA H 64 5.430 5.430 5.731 -0.301 18887 4589 1 8 . 1 1 64 64 ALA C C 64 175.040 175.040 175.762 -0.722 18887 4590 1 8 . 1 1 64 64 ALA CA C 64 50.740 50.740 50.461 0.279 18887 4591 1 8 . 1 1 64 64 ALA CB C 64 19.690 19.690 20.282 -0.592 18887 4592 1 8 . 1 1 64 64 ALA H H 64 8.840 8.840 9.311 -0.471 18887 4593 1 8 . 1 1 65 65 VAL N N 65 110.260 110.260 118.156 -7.896 18887 4594 1 8 . 1 1 65 65 VAL HA H 65 5.690 5.690 4.840 0.850 18887 4595 1 8 . 1 1 65 65 VAL C C 65 175.380 175.380 174.190 1.190 18887 4596 1 8 . 1 1 65 65 VAL CA C 65 59.060 59.060 59.528 -0.468 18887 4597 1 8 . 1 1 65 65 VAL CB C 65 38.800 38.800 35.211 3.589 18887 4598 1 8 . 1 1 65 65 VAL H H 65 8.080 8.080 7.577 0.503 18887 4599 1 8 . 1 1 66 66 ASP N N 66 119.250 119.250 123.294 -4.044 18887 4600 1 8 . 1 1 66 66 ASP HA H 66 4.870 4.870 4.830 0.040 18887 4601 1 8 . 1 1 66 66 ASP C C 66 175.600 175.600 176.337 -0.737 18887 4602 1 8 . 1 1 66 66 ASP CA C 66 53.780 53.780 55.192 -1.412 18887 4603 1 8 . 1 1 66 66 ASP CB C 66 42.910 42.910 42.916 -0.006 18887 4604 1 8 . 1 1 66 66 ASP H H 66 7.760 7.760 9.137 -1.377 18887 4605 1 8 . 1 1 67 67 THR N N 67 112.330 112.330 114.698 -2.368 18887 4606 1 8 . 1 1 67 67 THR HA H 67 4.510 4.510 4.567 -0.057 18887 4607 1 8 . 1 1 67 67 THR C C 67 172.370 172.370 172.967 -0.597 18887 4608 1 8 . 1 1 67 67 THR CA C 67 59.650 59.650 60.299 -0.649 18887 4609 1 8 . 1 1 67 67 THR CB C 67 70.230 70.230 70.878 -0.648 18887 4610 1 8 . 1 1 67 67 THR H H 67 7.070 7.070 7.705 -0.635 18887 4611 1 8 . 1 1 68 68 LYS N N 68 121.380 121.380 120.182 1.198 18887 4612 1 8 . 1 1 68 68 LYS HA H 68 4.080 4.080 4.344 -0.264 18887 4613 1 8 . 1 1 68 68 LYS C C 68 176.250 176.250 175.623 0.627 18887 4614 1 8 . 1 1 68 68 LYS CA C 68 57.470 57.470 55.605 1.865 18887 4615 1 8 . 1 1 68 68 LYS CB C 68 34.020 34.020 33.033 0.987 18887 4616 1 8 . 1 1 68 68 LYS H H 68 7.540 7.540 8.176 -0.636 18887 4617 1 8 . 1 1 69 69 VAL N N 69 125.310 125.310 119.345 5.965 18887 4618 1 8 . 1 1 69 69 VAL HA H 69 3.320 3.320 4.433 -1.113 18887 4619 1 8 . 1 1 69 69 VAL C C 69 175.890 175.890 175.937 -0.047 18887 4620 1 8 . 1 1 69 69 VAL CA C 69 64.110 64.110 60.895 3.215 18887 4621 1 8 . 1 1 69 69 VAL CB C 69 33.810 33.810 33.611 0.199 18887 4622 1 8 . 1 1 69 69 VAL H H 69 8.320 8.320 8.153 0.167 18887 4623 1 8 . 1 1 70 70 ARG N N 70 111.240 111.240 124.287 -13.047 18887 4624 1 8 . 1 1 70 70 ARG HA H 70 4.160 4.160 4.227 -0.067 18887 4625 1 8 . 1 1 70 70 ARG C C 70 177.030 177.030 178.289 -1.259 18887 4626 1 8 . 1 1 70 70 ARG CA C 70 57.630 57.630 59.461 -1.831 18887 4627 1 8 . 1 1 70 70 ARG CB C 70 31.440 31.440 30.740 0.700 18887 4628 1 8 . 1 1 70 70 ARG H H 70 9.580 9.580 9.307 0.273 18887 4629 1 8 . 1 1 71 71 ASN N N 71 120.660 120.660 117.737 2.923 18887 4630 1 8 . 1 1 71 71 ASN HA H 71 4.670 4.670 4.638 0.032 18887 4631 1 8 . 1 1 71 71 ASN C C 71 177.530 177.530 176.785 0.745 18887 4632 1 8 . 1 1 71 71 ASN CA C 71 54.770 54.770 54.501 0.269 18887 4633 1 8 . 1 1 71 71 ASN CB C 71 37.130 37.130 37.888 -0.758 18887 4634 1 8 . 1 1 71 71 ASN H H 71 9.170 9.170 8.464 0.706 18887 4635 1 8 . 1 1 72 72 LYS N N 72 120.730 120.730 121.779 -1.049 18887 4636 1 8 . 1 1 72 72 LYS HA H 72 4.010 4.010 4.620 -0.610 18887 4637 1 8 . 1 1 72 72 LYS C C 72 177.790 177.790 178.431 -0.641 18887 4638 1 8 . 1 1 72 72 LYS CA C 72 59.910 59.910 59.723 0.187 18887 4639 1 8 . 1 1 72 72 LYS CB C 72 33.260 33.260 32.244 1.016 18887 4640 1 8 . 1 1 72 72 LYS H H 72 8.400 8.400 8.259 0.141 18887 4641 1 8 . 1 1 73 73 GLU N N 73 122.670 122.670 117.990 4.680 18887 4642 1 8 . 1 1 73 73 GLU HA H 73 4.160 4.160 3.991 0.169 18887 4643 1 8 . 1 1 73 73 GLU C C 73 177.620 177.620 178.872 -1.252 18887 4644 1 8 . 1 1 73 73 GLU CA C 73 60.380 60.380 58.940 1.440 18887 4645 1 8 . 1 1 73 73 GLU CB C 73 28.660 28.660 29.000 -0.340 18887 4646 1 8 . 1 1 73 73 GLU H H 73 9.960 9.960 7.817 2.143 18887 4647 1 8 . 1 1 74 74 ARG N N 74 117.370 117.370 117.065 0.305 18887 4648 1 8 . 1 1 74 74 ARG HA H 74 3.770 3.770 4.184 -0.414 18887 4649 1 8 . 1 1 74 74 ARG C C 74 177.380 177.380 176.614 0.766 18887 4650 1 8 . 1 1 74 74 ARG CA C 74 59.010 59.010 57.071 1.939 18887 4651 1 8 . 1 1 74 74 ARG CB C 74 32.720 32.720 29.862 2.858 18887 4652 1 8 . 1 1 74 74 ARG H H 74 6.830 6.830 7.505 -0.675 18887 4653 1 8 . 1 1 75 75 PHE N N 75 112.920 112.920 119.174 -6.254 18887 4654 1 8 . 1 1 75 75 PHE HA H 75 4.280 4.280 4.793 -0.513 18887 4655 1 8 . 1 1 75 75 PHE C C 75 174.870 174.870 176.528 -1.658 18887 4656 1 8 . 1 1 75 75 PHE CA C 75 57.370 57.370 56.570 0.800 18887 4657 1 8 . 1 1 75 75 PHE CB C 75 39.380 39.380 38.264 1.116 18887 4658 1 8 . 1 1 75 75 PHE H H 75 7.670 7.670 7.689 -0.019 18887 4659 1 8 . 1 1 76 76 ASP N N 76 121.780 121.780 122.357 -0.577 18887 4660 1 8 . 1 1 76 76 ASP HA H 76 4.380 4.380 4.476 -0.096 18887 4661 1 8 . 1 1 76 76 ASP C C 76 177.380 177.380 176.972 0.408 18887 4662 1 8 . 1 1 76 76 ASP CA C 76 57.700 57.700 56.555 1.145 18887 4663 1 8 . 1 1 76 76 ASP CB C 76 41.270 41.270 40.148 1.123 18887 4664 1 8 . 1 1 76 76 ASP H H 76 7.210 7.210 7.761 -0.551 18887 4665 1 8 . 1 1 77 77 GLY N N 77 111.910 111.910 107.444 4.466 18887 4666 1 8 . 1 1 77 77 GLY C C 77 174.310 174.310 174.096 0.214 18887 4667 1 8 . 1 1 77 77 GLY CA C 77 46.290 46.290 44.695 1.595 18887 4668 1 8 . 1 1 77 77 GLY H H 77 8.920 8.920 8.692 0.228 18887 4669 1 8 . 1 1 78 78 LYS N N 78 117.910 117.910 120.104 -2.194 18887 4670 1 8 . 1 1 78 78 LYS HA H 78 4.540 4.540 4.731 -0.191 18887 4671 1 8 . 1 1 78 78 LYS C C 78 175.910 175.910 175.366 0.544 18887 4672 1 8 . 1 1 78 78 LYS CA C 78 53.410 53.410 54.866 -1.456 18887 4673 1 8 . 1 1 78 78 LYS CB C 78 32.780 32.780 35.054 -2.274 18887 4674 1 8 . 1 1 78 78 LYS H H 78 7.700 7.700 7.551 0.149 18887 4675 1 8 . 1 1 79 79 VAL N N 79 124.500 124.500 121.759 2.741 18887 4676 1 8 . 1 1 79 79 VAL HA H 79 3.850 3.850 4.125 -0.275 18887 4677 1 8 . 1 1 79 79 VAL C C 79 174.140 174.140 174.219 -0.079 18887 4678 1 8 . 1 1 79 79 VAL CA C 79 64.810 64.810 62.295 2.515 18887 4679 1 8 . 1 1 79 79 VAL CB C 79 32.390 32.390 32.341 0.049 18887 4680 1 8 . 1 1 79 79 VAL H H 79 8.890 8.890 8.669 0.221 18887 4681 1 8 . 1 1 80 80 VAL N N 80 125.810 125.810 129.168 -3.358 18887 4682 1 8 . 1 1 80 80 VAL HA H 80 4.690 4.690 4.691 -0.001 18887 4683 1 8 . 1 1 80 80 VAL C C 80 175.270 175.270 175.039 0.231 18887 4684 1 8 . 1 1 80 80 VAL CA C 80 60.670 60.670 60.955 -0.285 18887 4685 1 8 . 1 1 80 80 VAL CB C 80 35.970 35.970 33.110 2.860 18887 4686 1 8 . 1 1 80 80 VAL H H 80 7.860 7.860 8.387 -0.527 18887 4687 1 8 . 1 1 81 81 LEU N N 81 110.550 110.550 131.087 -20.537 18887 4688 1 8 . 1 1 81 81 LEU HA H 81 4.490 4.490 4.803 -0.313 18887 4689 1 8 . 1 1 81 81 LEU C C 81 173.930 173.930 174.516 -0.586 18887 4690 1 8 . 1 1 81 81 LEU CA C 81 54.410 54.410 53.792 0.618 18887 4691 1 8 . 1 1 81 81 LEU CB C 81 45.100 45.100 43.977 1.123 18887 4692 1 8 . 1 1 81 81 LEU H H 81 8.790 8.790 9.172 -0.382 18887 4693 1 8 . 1 1 82 82 GLU N N 82 111.070 111.070 127.610 -16.540 18887 4694 1 8 . 1 1 82 82 GLU HA H 82 5.460 5.460 5.101 0.359 18887 4695 1 8 . 1 1 82 82 GLU C C 82 175.440 175.440 175.222 0.218 18887 4696 1 8 . 1 1 82 82 GLU CA C 82 56.010 56.010 55.115 0.895 18887 4697 1 8 . 1 1 82 82 GLU CB C 82 32.100 32.100 32.258 -0.158 18887 4698 1 8 . 1 1 82 82 GLU H H 82 8.750 8.750 8.727 0.023 18887 4699 1 8 . 1 1 83 83 VAL N N 83 119.980 119.980 120.649 -0.669 18887 4700 1 8 . 1 1 83 83 VAL HA H 83 4.950 4.950 4.741 0.209 18887 4701 1 8 . 1 1 83 83 VAL C C 83 172.120 172.120 173.290 -1.170 18887 4702 1 8 . 1 1 83 83 VAL CA C 83 58.760 58.760 58.176 0.584 18887 4703 1 8 . 1 1 83 83 VAL CB C 83 34.570 34.570 33.565 1.005 18887 4704 1 8 . 1 1 83 83 VAL H H 83 9.390 9.390 8.985 0.405 18887 4705 1 8 . 1 1 84 84 PRO HA H 84 4.740 4.740 4.484 0.256 18887 4706 1 8 . 1 1 84 84 PRO C C 84 178.300 178.300 177.803 0.497 18887 4707 1 8 . 1 1 84 84 PRO CA C 84 63.330 63.330 62.944 0.386 18887 4708 1 8 . 1 1 84 84 PRO CB C 84 33.430 33.430 32.102 1.328 18887 4709 1 8 . 1 1 85 85 VAL N N 85 122.390 122.390 121.229 1.161 18887 4710 1 8 . 1 1 85 85 VAL HA H 85 3.320 3.320 3.739 -0.419 18887 4711 1 8 . 1 1 85 85 VAL C C 85 174.190 174.190 176.484 -2.294 18887 4712 1 8 . 1 1 85 85 VAL CA C 85 66.540 66.540 64.243 2.297 18887 4713 1 8 . 1 1 85 85 VAL CB C 85 32.970 32.970 32.243 0.727 18887 4714 1 8 . 1 1 85 85 VAL H H 85 7.240 7.240 8.525 -1.285 18887 4715 1 8 . 1 1 86 86 SER N N 86 125.590 125.590 112.607 12.983 18887 4716 1 8 . 1 1 86 86 SER HA H 86 4.020 4.020 4.278 -0.258 18887 4717 1 8 . 1 1 86 86 SER C C 86 176.940 176.940 175.326 1.614 18887 4718 1 8 . 1 1 86 86 SER CA C 86 60.200 60.200 60.560 -0.360 18887 4719 1 8 . 1 1 86 86 SER CB C 86 64.060 64.060 63.032 1.028 18887 4720 1 8 . 1 1 86 86 SER H H 86 7.600 7.600 7.882 -0.282 18887 4721 1 8 . 1 1 87 87 ALA N N 87 125.200 125.200 124.906 0.294 18887 4722 1 8 . 1 1 87 87 ALA HA H 87 4.280 4.280 4.286 -0.006 18887 4723 1 8 . 1 1 87 87 ALA C C 87 177.370 177.370 176.392 0.978 18887 4724 1 8 . 1 1 87 87 ALA CA C 87 57.600 57.600 55.784 1.816 18887 4725 1 8 . 1 1 87 87 ALA CB C 87 16.620 16.620 16.677 -0.057 18887 4726 1 8 . 1 1 87 87 ALA H H 87 7.870 7.870 7.668 0.202 18887 4727 1 8 . 1 1 88 88 PRO HA H 88 4.000 4.000 4.358 -0.358 18887 4728 1 8 . 1 1 88 88 PRO C C 88 175.090 175.090 176.943 -1.853 18887 4729 1 8 . 1 1 88 88 PRO CA C 88 65.410 65.410 64.601 0.809 18887 4730 1 8 . 1 1 88 88 PRO CB C 88 32.130 32.130 31.048 1.082 18887 4731 1 8 . 1 1 89 89 ILE N N 89 114.700 114.700 117.411 -2.711 18887 4732 1 8 . 1 1 89 89 ILE HA H 89 3.310 3.310 3.797 -0.487 18887 4733 1 8 . 1 1 89 89 ILE C C 89 177.850 177.850 176.815 1.035 18887 4734 1 8 . 1 1 89 89 ILE CA C 89 66.320 66.320 63.571 2.749 18887 4735 1 8 . 1 1 89 89 ILE CB C 89 38.790 38.790 38.237 0.553 18887 4736 1 8 . 1 1 89 89 ILE H H 89 6.300 6.300 7.358 -1.058 18887 4737 1 8 . 1 1 90 90 LYS N N 90 118.530 118.530 116.786 1.744 18887 4738 1 8 . 1 1 90 90 LYS HA H 90 4.060 4.060 4.370 -0.310 18887 4739 1 8 . 1 1 90 90 LYS C C 90 177.390 177.390 177.834 -0.444 18887 4740 1 8 . 1 1 90 90 LYS CA C 90 59.710 59.710 56.923 2.787 18887 4741 1 8 . 1 1 90 90 LYS CB C 90 33.940 33.940 33.397 0.543 18887 4742 1 8 . 1 1 90 90 LYS H H 90 7.440 7.440 7.603 -0.163 18887 4743 1 8 . 1 1 91 91 ASP N N 91 114.670 114.670 120.669 -5.999 18887 4744 1 8 . 1 1 91 91 ASP HA H 91 4.530 4.530 4.849 -0.319 18887 4745 1 8 . 1 1 91 91 ASP C C 91 174.350 174.350 176.336 -1.986 18887 4746 1 8 . 1 1 91 91 ASP CA C 91 55.120 55.120 54.258 0.862 18887 4747 1 8 . 1 1 91 91 ASP CB C 91 41.530 41.530 41.072 0.459 18887 4748 1 8 . 1 1 91 91 ASP H H 91 7.700 7.700 8.323 -0.623 18887 4749 1 8 . 1 1 92 92 ALA N N 92 111.350 111.350 123.108 -11.758 18887 4750 1 8 . 1 1 92 92 ALA HA H 92 3.830 3.830 3.957 -0.127 18887 4751 1 8 . 1 1 92 92 ALA C C 92 169.330 169.330 179.220 -9.890 18887 4752 1 8 . 1 1 92 92 ALA CA C 92 57.220 57.220 55.531 1.690 18887 4753 1 8 . 1 1 92 92 ALA CB C 92 20.700 20.700 18.676 2.024 18887 4754 1 8 . 1 1 92 92 ALA H H 92 8.860 8.860 7.449 1.411 18887 4755 1 8 . 1 1 93 93 GLU N N 93 117.860 117.860 117.425 0.435 18887 4756 1 8 . 1 1 93 93 GLU HA H 93 3.860 3.860 3.935 -0.075 18887 4757 1 8 . 1 1 93 93 GLU C C 93 177.970 177.970 178.532 -0.562 18887 4758 1 8 . 1 1 93 93 GLU CA C 93 61.240 61.240 59.527 1.713 18887 4759 1 8 . 1 1 93 93 GLU CB C 93 30.570 30.570 29.129 1.441 18887 4760 1 8 . 1 1 93 93 GLU H H 93 8.520 8.520 8.769 -0.249 18887 4761 1 8 . 1 1 94 94 LYS N N 94 119.790 119.790 120.472 -0.682 18887 4762 1 8 . 1 1 94 94 LYS HA H 94 3.930 3.930 4.102 -0.172 18887 4763 1 8 . 1 1 94 94 LYS C C 94 169.840 169.840 178.638 -8.798 18887 4764 1 8 . 1 1 94 94 LYS CA C 94 60.600 60.600 58.618 1.982 18887 4765 1 8 . 1 1 94 94 LYS CB C 94 33.550 33.550 31.774 1.776 18887 4766 1 8 . 1 1 94 94 LYS H H 94 7.670 7.670 7.810 -0.140 18887 4767 1 8 . 1 1 95 95 VAL N N 95 118.850 118.850 119.759 -0.909 18887 4768 1 8 . 1 1 95 95 VAL HA H 95 3.590 3.590 3.588 0.002 18887 4769 1 8 . 1 1 95 95 VAL C C 95 176.620 176.620 178.207 -1.587 18887 4770 1 8 . 1 1 95 95 VAL CA C 95 67.220 67.220 66.624 0.596 18887 4771 1 8 . 1 1 95 95 VAL CB C 95 32.880 32.880 31.704 1.175 18887 4772 1 8 . 1 1 95 95 VAL H H 95 7.150 7.150 8.237 -1.087 18887 4773 1 8 . 1 1 96 96 ILE N N 96 119.120 119.120 120.210 -1.090 18887 4774 1 8 . 1 1 96 96 ILE HA H 96 3.380 3.380 3.521 -0.141 18887 4775 1 8 . 1 1 96 96 ILE C C 96 177.750 177.750 177.913 -0.163 18887 4776 1 8 . 1 1 96 96 ILE CA C 96 67.190 67.190 65.573 1.617 18887 4777 1 8 . 1 1 96 96 ILE CB C 96 38.440 38.440 37.499 0.941 18887 4778 1 8 . 1 1 96 96 ILE H H 96 8.380 8.380 8.031 0.349 18887 4779 1 8 . 1 1 97 97 ASN N N 97 117.000 117.000 118.394 -1.394 18887 4780 1 8 . 1 1 97 97 ASN HA H 97 4.420 4.420 4.397 0.023 18887 4781 1 8 . 1 1 97 97 ASN C C 97 178.380 178.380 177.786 0.594 18887 4782 1 8 . 1 1 97 97 ASN CA C 97 57.430 57.430 56.262 1.168 18887 4783 1 8 . 1 1 97 97 ASN CB C 97 39.030 39.030 37.902 1.128 18887 4784 1 8 . 1 1 97 97 ASN H H 97 8.730 8.730 8.402 0.328 18887 4785 1 8 . 1 1 98 98 ALA N N 98 123.790 123.790 122.556 1.234 18887 4786 1 8 . 1 1 98 98 ALA HA H 98 4.100 4.100 4.085 0.015 18887 4787 1 8 . 1 1 98 98 ALA C C 98 169.600 169.600 179.317 -9.717 18887 4788 1 8 . 1 1 98 98 ALA CA C 98 55.890 55.890 54.963 0.927 18887 4789 1 8 . 1 1 98 98 ALA CB C 98 18.850 18.850 18.198 0.652 18887 4790 1 8 . 1 1 98 98 ALA H H 98 7.950 7.950 8.385 -0.435 18887 4791 1 8 . 1 1 99 99 ALA N N 99 122.120 122.120 121.061 1.059 18887 4792 1 8 . 1 1 99 99 ALA HA H 99 3.930 3.930 3.982 -0.052 18887 4793 1 8 . 1 1 99 99 ALA C C 99 178.700 178.700 179.984 -1.284 18887 4794 1 8 . 1 1 99 99 ALA CA C 99 55.920 55.920 54.756 1.164 18887 4795 1 8 . 1 1 99 99 ALA CB C 99 18.960 18.960 18.503 0.457 18887 4796 1 8 . 1 1 99 99 ALA H H 99 7.930 7.930 7.511 0.419 18887 4797 1 8 . 1 1 100 100 LEU N N 100 115.870 115.870 119.227 -3.357 18887 4798 1 8 . 1 1 100 100 LEU HA H 100 3.900 3.900 4.099 -0.199 18887 4799 1 8 . 1 1 100 100 LEU C C 100 169.150 169.150 178.865 -9.715 18887 4800 1 8 . 1 1 100 100 LEU CA C 100 58.140 58.140 56.752 1.388 18887 4801 1 8 . 1 1 100 100 LEU CB C 100 41.730 41.730 40.524 1.206 18887 4802 1 8 . 1 1 100 100 LEU H H 100 8.220 8.220 7.929 0.291 18887 4803 1 8 . 1 1 101 101 ALA N N 101 120.410 120.410 121.670 -1.260 18887 4804 1 8 . 1 1 101 101 ALA HA H 101 4.100 4.100 4.204 -0.104 18887 4805 1 8 . 1 1 101 101 ALA C C 101 169.730 169.730 179.003 -9.273 18887 4806 1 8 . 1 1 101 101 ALA CA C 101 55.680 55.680 54.709 0.971 18887 4807 1 8 . 1 1 101 101 ALA CB C 101 18.860 18.860 18.262 0.598 18887 4808 1 8 . 1 1 101 101 ALA H H 101 7.970 7.970 8.189 -0.219 18887 4809 1 8 . 1 1 102 102 LEU N N 102 115.090 115.090 118.517 -3.427 18887 4810 1 8 . 1 1 102 102 LEU HA H 102 4.120 4.120 4.180 -0.060 18887 4811 1 8 . 1 1 102 102 LEU C C 102 169.060 169.060 178.001 -8.941 18887 4812 1 8 . 1 1 102 102 LEU CA C 102 57.870 57.870 56.647 1.223 18887 4813 1 8 . 1 1 102 102 LEU CB C 102 43.730 43.730 42.393 1.337 18887 4814 1 8 . 1 1 102 102 LEU H H 102 7.330 7.330 7.629 -0.299 18887 4815 1 8 . 1 1 103 103 ILE N N 103 110.170 110.170 113.879 -3.709 18887 4816 1 8 . 1 1 103 103 ILE HA H 103 4.430 4.430 4.294 0.136 18887 4817 1 8 . 1 1 103 103 ILE C C 103 176.670 176.670 177.069 -0.399 18887 4818 1 8 . 1 1 103 103 ILE CA C 103 62.520 62.520 62.403 0.117 18887 4819 1 8 . 1 1 103 103 ILE CB C 103 40.020 40.020 39.726 0.294 18887 4820 1 8 . 1 1 103 103 ILE H H 103 7.140 7.140 7.629 -0.489 18887 4821 1 8 . 1 1 104 104 ASP N N 104 122.560 122.560 119.425 3.135 18887 4822 1 8 . 1 1 104 104 ASP HA H 104 4.650 4.650 4.697 -0.047 18887 4823 1 8 . 1 1 104 104 ASP C C 104 176.670 176.670 175.321 1.349 18887 4824 1 8 . 1 1 104 104 ASP CA C 104 56.220 56.220 53.848 2.372 18887 4825 1 8 . 1 1 104 104 ASP CB C 104 42.080 42.080 43.291 -1.211 18887 4826 1 8 . 1 1 104 104 ASP H H 104 8.000 8.000 8.141 -0.141 18887 4827 1 8 . 1 1 105 105 GLU N N 105 120.750 120.750 118.156 2.594 18887 4828 1 8 . 1 1 105 105 GLU HA H 105 4.300 4.300 3.947 0.353 18887 4829 1 8 . 1 1 105 105 GLU C C 105 175.470 175.470 175.179 0.291 18887 4830 1 8 . 1 1 105 105 GLU CA C 105 57.640 57.640 57.641 -0.001 18887 4831 1 8 . 1 1 105 105 GLU CB C 105 30.870 30.870 28.081 2.788 18887 4832 1 8 . 1 1 105 105 GLU H H 105 8.030 8.030 8.054 -0.024 18887 4833 1 9 . 1 1 2 2 LYS N N 2 120.950 120.950 121.379 -0.429 18887 4834 1 9 . 1 1 2 2 LYS HA H 2 4.330 4.330 4.188 0.142 18887 4835 1 9 . 1 1 2 2 LYS C C 2 176.040 176.040 175.159 0.881 18887 4836 1 9 . 1 1 2 2 LYS CA C 2 57.850 57.850 56.620 1.230 18887 4837 1 9 . 1 1 2 2 LYS CB C 2 33.480 33.480 31.021 2.459 18887 4838 1 9 . 1 1 2 2 LYS H H 2 8.220 8.220 8.135 0.085 18887 4839 1 9 . 1 1 3 3 ARG N N 3 120.340 120.340 120.831 -0.491 18887 4840 1 9 . 1 1 3 3 ARG HA H 3 4.660 4.660 4.368 0.292 18887 4841 1 9 . 1 1 3 3 ARG C C 3 175.960 175.960 174.977 0.983 18887 4842 1 9 . 1 1 3 3 ARG CA C 3 53.810 53.810 55.047 -1.237 18887 4843 1 9 . 1 1 3 3 ARG CB C 3 29.710 29.710 32.633 -2.923 18887 4844 1 9 . 1 1 3 3 ARG H H 3 8.220 8.220 8.241 -0.021 18887 4845 1 9 . 1 1 4 4 LYS N N 4 121.540 121.540 120.810 0.730 18887 4846 1 9 . 1 1 4 4 LYS HA H 4 4.770 4.770 5.214 -0.444 18887 4847 1 9 . 1 1 4 4 LYS C C 4 174.820 174.820 175.845 -1.025 18887 4848 1 9 . 1 1 4 4 LYS CA C 4 57.230 57.230 54.895 2.335 18887 4849 1 9 . 1 1 4 4 LYS CB C 4 33.800 33.800 33.177 0.623 18887 4850 1 9 . 1 1 4 4 LYS H H 4 8.880 8.880 8.492 0.389 18887 4851 1 9 . 1 1 5 5 ILE N N 5 125.030 125.030 125.309 -0.279 18887 4852 1 9 . 1 1 5 5 ILE HA H 5 4.530 4.530 4.744 -0.214 18887 4853 1 9 . 1 1 5 5 ILE C C 5 175.420 175.420 174.023 1.397 18887 4854 1 9 . 1 1 5 5 ILE CA C 5 61.120 61.120 60.324 0.796 18887 4855 1 9 . 1 1 5 5 ILE CB C 5 41.880 41.880 41.953 -0.073 18887 4856 1 9 . 1 1 5 5 ILE H H 5 8.760 8.760 9.172 -0.412 18887 4857 1 9 . 1 1 6 6 ILE N N 6 119.270 119.270 122.301 -3.031 18887 4858 1 9 . 1 1 6 6 ILE HA H 6 5.440 5.440 5.066 0.374 18887 4859 1 9 . 1 1 6 6 ILE C C 6 173.880 173.880 173.699 0.181 18887 4860 1 9 . 1 1 6 6 ILE CA C 6 60.480 60.480 58.089 2.392 18887 4861 1 9 . 1 1 6 6 ILE CB C 6 42.120 42.120 39.137 2.983 18887 4862 1 9 . 1 1 6 6 ILE H H 6 8.110 8.110 8.336 -0.226 18887 4863 1 9 . 1 1 7 7 ALA N N 7 122.330 122.330 128.944 -6.614 18887 4864 1 9 . 1 1 7 7 ALA HA H 7 5.780 5.780 4.964 0.816 18887 4865 1 9 . 1 1 7 7 ALA C C 7 173.950 173.950 175.438 -1.488 18887 4866 1 9 . 1 1 7 7 ALA CA C 7 51.280 51.280 50.601 0.679 18887 4867 1 9 . 1 1 7 7 ALA CB C 7 25.930 25.930 22.660 3.270 18887 4868 1 9 . 1 1 7 7 ALA H H 7 8.790 8.790 8.990 -0.200 18887 4869 1 9 . 1 1 8 8 VAL N N 8 119.860 119.860 125.783 -5.923 18887 4870 1 9 . 1 1 8 8 VAL HA H 8 5.190 5.190 4.287 0.903 18887 4871 1 9 . 1 1 8 8 VAL C C 8 175.590 175.590 174.992 0.598 18887 4872 1 9 . 1 1 8 8 VAL CA C 8 61.340 61.340 61.934 -0.594 18887 4873 1 9 . 1 1 8 8 VAL CB C 8 36.650 36.650 32.650 4.000 18887 4874 1 9 . 1 1 8 8 VAL H H 8 8.950 8.950 8.215 0.735 18887 4875 1 9 . 1 1 9 9 THR N N 9 116.320 116.320 120.240 -3.920 18887 4876 1 9 . 1 1 9 9 THR HA H 9 5.500 5.500 5.501 -0.001 18887 4877 1 9 . 1 1 9 9 THR C C 9 172.920 172.920 173.444 -0.524 18887 4878 1 9 . 1 1 9 9 THR CA C 9 59.470 59.470 59.577 -0.107 18887 4879 1 9 . 1 1 9 9 THR CB C 9 71.510 71.510 69.812 1.698 18887 4880 1 9 . 1 1 9 9 THR H H 9 8.860 8.860 8.636 0.224 18887 4881 1 9 . 1 1 10 10 ALA N N 10 121.780 121.780 127.929 -6.149 18887 4882 1 9 . 1 1 10 10 ALA HA H 10 4.800 4.800 4.754 0.046 18887 4883 1 9 . 1 1 10 10 ALA C C 10 174.680 174.680 175.116 -0.436 18887 4884 1 9 . 1 1 10 10 ALA CA C 10 54.300 54.300 51.628 2.672 18887 4885 1 9 . 1 1 10 10 ALA CB C 10 22.940 22.940 23.023 -0.083 18887 4886 1 9 . 1 1 10 10 ALA H H 10 7.710 7.710 8.701 -0.991 18887 4887 1 9 . 1 1 11 11 CYS N N 11 121.780 121.780 116.154 5.626 18887 4888 1 9 . 1 1 11 11 CYS HA H 11 5.160 5.160 4.959 0.201 18887 4889 1 9 . 1 1 11 11 CYS C C 11 174.700 174.700 173.094 1.606 18887 4890 1 9 . 1 1 11 11 CYS CA C 11 57.150 57.150 57.038 0.112 18887 4891 1 9 . 1 1 11 11 CYS CB C 11 30.830 30.830 31.055 -0.225 18887 4892 1 9 . 1 1 11 11 CYS H H 11 8.140 8.140 8.327 -0.187 18887 4893 1 9 . 1 1 12 12 ALA N N 12 113.900 113.900 125.127 -11.227 18887 4894 1 9 . 1 1 12 12 ALA HA H 12 4.220 4.220 4.602 -0.382 18887 4895 1 9 . 1 1 12 12 ALA C C 12 168.950 168.950 177.826 -8.876 18887 4896 1 9 . 1 1 12 12 ALA CA C 12 55.270 55.270 52.775 2.495 18887 4897 1 9 . 1 1 12 12 ALA CB C 12 20.320 20.320 20.230 0.090 18887 4898 1 9 . 1 1 12 12 ALA H H 12 10.630 10.630 8.655 1.975 18887 4899 1 9 . 1 1 13 13 THR N N 13 109.490 109.490 111.099 -1.609 18887 4900 1 9 . 1 1 13 13 THR HA H 13 4.390 4.390 4.544 -0.154 18887 4901 1 9 . 1 1 13 13 THR C C 13 174.870 174.870 175.201 -0.331 18887 4902 1 9 . 1 1 13 13 THR CA C 13 62.910 62.910 60.869 2.041 18887 4903 1 9 . 1 1 13 13 THR CB C 13 70.640 70.640 70.153 0.487 18887 4904 1 9 . 1 1 13 13 THR H H 13 8.180 8.180 8.443 -0.263 18887 4905 1 9 . 1 1 14 14 GLY N N 14 111.450 111.450 114.688 -3.238 18887 4906 1 9 . 1 1 14 14 GLY C C 14 173.680 173.680 175.307 -1.627 18887 4907 1 9 . 1 1 14 14 GLY CA C 14 47.050 47.050 45.213 1.837 18887 4908 1 9 . 1 1 14 14 GLY H H 14 7.880 7.880 8.931 -1.051 18887 4909 1 9 . 1 1 15 15 VAL N N 15 119.530 119.530 119.452 0.078 18887 4910 1 9 . 1 1 15 15 VAL HA H 15 4.110 4.110 3.801 0.309 18887 4911 1 9 . 1 1 15 15 VAL C C 15 176.860 176.860 177.464 -0.604 18887 4912 1 9 . 1 1 15 15 VAL CA C 15 64.740 64.740 64.356 0.384 18887 4913 1 9 . 1 1 15 15 VAL CB C 15 33.690 33.690 31.294 2.397 18887 4914 1 9 . 1 1 15 15 VAL H H 15 8.250 8.250 8.250 -0.000 18887 4915 1 9 . 1 1 16 16 ALA N N 16 123.230 123.230 123.214 0.016 18887 4916 1 9 . 1 1 16 16 ALA HA H 16 4.230 4.230 4.235 -0.005 18887 4917 1 9 . 1 1 16 16 ALA C C 16 170.610 170.610 179.116 -8.506 18887 4918 1 9 . 1 1 16 16 ALA CA C 16 56.280 56.280 54.734 1.546 18887 4919 1 9 . 1 1 16 16 ALA CB C 16 19.320 19.320 17.847 1.473 18887 4920 1 9 . 1 1 16 16 ALA H H 16 8.430 8.430 8.311 0.119 18887 4921 1 9 . 1 1 17 17 HIS HA H 17 4.380 4.380 4.251 0.129 18887 4922 1 9 . 1 1 17 17 HIS C C 17 177.260 177.260 177.877 -0.617 18887 4923 1 9 . 1 1 17 17 HIS CA C 17 60.060 60.060 59.772 0.288 18887 4924 1 9 . 1 1 17 17 HIS CB C 17 31.990 31.990 29.590 2.400 18887 4925 1 9 . 1 1 18 18 THR N N 18 115.830 115.830 115.877 -0.047 18887 4926 1 9 . 1 1 18 18 THR HA H 18 3.540 3.540 3.966 -0.426 18887 4927 1 9 . 1 1 18 18 THR C C 18 176.690 176.690 175.760 0.930 18887 4928 1 9 . 1 1 18 18 THR CA C 18 67.700 67.700 66.738 0.962 18887 4929 1 9 . 1 1 18 18 THR CB C 18 69.550 69.550 68.539 1.011 18887 4930 1 9 . 1 1 18 18 THR H H 18 7.590 7.590 7.840 -0.250 18887 4931 1 9 . 1 1 19 19 TYR N N 19 121.050 121.050 119.671 1.379 18887 4932 1 9 . 1 1 19 19 TYR HA H 19 4.340 4.340 4.513 -0.172 18887 4933 1 9 . 1 1 19 19 TYR C C 19 178.420 178.420 177.678 0.742 18887 4934 1 9 . 1 1 19 19 TYR CA C 19 61.220 61.220 60.616 0.604 18887 4935 1 9 . 1 1 19 19 TYR CB C 19 38.400 38.400 37.772 0.628 18887 4936 1 9 . 1 1 19 19 TYR H H 19 7.710 7.710 7.254 0.456 18887 4937 1 9 . 1 1 20 20 MET N N 20 120.220 120.220 120.293 -0.073 18887 4938 1 9 . 1 1 20 20 MET HA H 20 4.160 4.160 4.132 0.028 18887 4939 1 9 . 1 1 20 20 MET C C 20 169.550 169.550 178.012 -8.462 18887 4940 1 9 . 1 1 20 20 MET CA C 20 60.050 60.050 56.902 3.148 18887 4941 1 9 . 1 1 20 20 MET CB C 20 34.410 34.410 32.214 2.196 18887 4942 1 9 . 1 1 20 20 MET H H 20 8.470 8.470 8.459 0.011 18887 4943 1 9 . 1 1 21 21 ALA N N 21 122.280 122.280 120.908 1.372 18887 4944 1 9 . 1 1 21 21 ALA HA H 21 3.870 3.870 3.966 -0.096 18887 4945 1 9 . 1 1 21 21 ALA C C 21 178.630 178.630 178.738 -0.108 18887 4946 1 9 . 1 1 21 21 ALA CA C 21 56.760 56.760 55.371 1.389 18887 4947 1 9 . 1 1 21 21 ALA CB C 21 19.690 19.690 17.997 1.693 18887 4948 1 9 . 1 1 21 21 ALA H H 21 8.490 8.490 8.348 0.142 18887 4949 1 9 . 1 1 22 22 ALA N N 22 120.240 120.240 120.809 -0.569 18887 4950 1 9 . 1 1 22 22 ALA HA H 22 3.900 3.900 3.905 -0.005 18887 4951 1 9 . 1 1 22 22 ALA C C 22 169.200 169.200 180.057 -10.857 18887 4952 1 9 . 1 1 22 22 ALA CA C 22 56.880 56.880 54.995 1.885 18887 4953 1 9 . 1 1 22 22 ALA CB C 22 19.560 19.560 18.265 1.294 18887 4954 1 9 . 1 1 22 22 ALA H H 22 7.660 7.660 7.788 -0.128 18887 4955 1 9 . 1 1 23 23 GLN N N 23 116.680 116.680 118.607 -1.927 18887 4956 1 9 . 1 1 23 23 GLN HA H 23 3.940 3.940 4.036 -0.096 18887 4957 1 9 . 1 1 23 23 GLN C C 23 178.500 178.500 178.560 -0.060 18887 4958 1 9 . 1 1 23 23 GLN CA C 23 59.550 59.550 58.719 0.831 18887 4959 1 9 . 1 1 23 23 GLN CB C 23 29.660 29.660 28.848 0.812 18887 4960 1 9 . 1 1 23 23 GLN H H 23 8.430 8.430 7.911 0.519 18887 4961 1 9 . 1 1 24 24 ALA N N 24 121.760 121.760 123.203 -1.443 18887 4962 1 9 . 1 1 24 24 ALA HA H 24 4.140 4.140 4.072 0.068 18887 4963 1 9 . 1 1 24 24 ALA C C 24 171.490 171.490 179.379 -7.889 18887 4964 1 9 . 1 1 24 24 ALA CA C 24 56.060 56.060 55.183 0.877 18887 4965 1 9 . 1 1 24 24 ALA CB C 24 19.760 19.760 18.599 1.161 18887 4966 1 9 . 1 1 24 24 ALA H H 24 8.130 8.130 8.330 -0.200 18887 4967 1 9 . 1 1 25 25 LEU N N 25 118.730 118.730 120.439 -1.709 18887 4968 1 9 . 1 1 25 25 LEU HA H 25 3.850 3.850 4.048 -0.198 18887 4969 1 9 . 1 1 25 25 LEU C C 25 177.990 177.990 178.525 -0.535 18887 4970 1 9 . 1 1 25 25 LEU CA C 25 59.280 59.280 57.690 1.591 18887 4971 1 9 . 1 1 25 25 LEU CB C 25 43.190 43.190 41.632 1.558 18887 4972 1 9 . 1 1 25 25 LEU H H 25 8.030 8.030 8.631 -0.601 18887 4973 1 9 . 1 1 26 26 LYS N N 26 118.850 118.850 119.437 -0.587 18887 4974 1 9 . 1 1 26 26 LYS HA H 26 3.840 3.840 3.878 -0.038 18887 4975 1 9 . 1 1 26 26 LYS C C 26 169.460 169.460 178.529 -9.069 18887 4976 1 9 . 1 1 26 26 LYS CA C 26 61.420 61.420 59.611 1.809 18887 4977 1 9 . 1 1 26 26 LYS CB C 26 33.440 33.440 31.974 1.466 18887 4978 1 9 . 1 1 26 26 LYS H H 26 8.000 8.000 8.173 -0.173 18887 4979 1 9 . 1 1 27 27 LYS N N 27 120.350 120.350 119.099 1.251 18887 4980 1 9 . 1 1 27 27 LYS HA H 27 3.990 3.990 4.003 -0.013 18887 4981 1 9 . 1 1 27 27 LYS C C 27 169.670 169.670 178.894 -9.224 18887 4982 1 9 . 1 1 27 27 LYS CA C 27 60.700 60.700 59.671 1.029 18887 4983 1 9 . 1 1 27 27 LYS CB C 27 33.620 33.620 32.318 1.302 18887 4984 1 9 . 1 1 27 27 LYS H H 27 8.350 8.350 7.939 0.411 18887 4985 1 9 . 1 1 28 28 GLY N N 28 125.170 125.170 106.377 18.793 18887 4986 1 9 . 1 1 28 28 GLY C C 28 174.520 174.520 175.705 -1.185 18887 4987 1 9 . 1 1 28 28 GLY CA C 28 47.870 47.870 46.979 0.891 18887 4988 1 9 . 1 1 28 28 GLY H H 28 8.410 8.410 8.165 0.245 18887 4989 1 9 . 1 1 29 29 ALA N N 29 122.370 122.370 124.683 -2.313 18887 4990 1 9 . 1 1 29 29 ALA HA H 29 3.820 3.820 4.089 -0.269 18887 4991 1 9 . 1 1 29 29 ALA C C 29 169.050 169.050 179.289 -10.239 18887 4992 1 9 . 1 1 29 29 ALA CA C 29 56.840 56.840 54.948 1.892 18887 4993 1 9 . 1 1 29 29 ALA CB C 29 18.800 18.800 18.381 0.419 18887 4994 1 9 . 1 1 29 29 ALA H H 29 8.280 8.280 8.367 -0.087 18887 4995 1 9 . 1 1 30 30 LYS N N 30 117.490 117.490 119.057 -1.567 18887 4996 1 9 . 1 1 30 30 LYS HA H 30 4.130 4.130 4.067 0.063 18887 4997 1 9 . 1 1 30 30 LYS C C 30 170.330 170.330 178.791 -8.461 18887 4998 1 9 . 1 1 30 30 LYS CA C 30 60.420 60.420 58.695 1.725 18887 4999 1 9 . 1 1 30 30 LYS CB C 30 33.230 33.230 32.195 1.035 18887 5000 1 9 . 1 1 30 30 LYS H H 30 7.720 7.720 8.200 -0.480 18887 5001 1 9 . 1 1 31 31 LYS N N 31 121.050 121.050 119.413 1.637 18887 5002 1 9 . 1 1 31 31 LYS HA H 31 4.020 4.020 4.075 -0.056 18887 5003 1 9 . 1 1 31 31 LYS C C 31 178.160 178.160 179.349 -1.189 18887 5004 1 9 . 1 1 31 31 LYS CA C 31 60.360 60.360 58.878 1.482 18887 5005 1 9 . 1 1 31 31 LYS CB C 31 33.380 33.380 32.548 0.832 18887 5006 1 9 . 1 1 31 31 LYS H H 31 7.930 7.930 7.910 0.020 18887 5007 1 9 . 1 1 32 32 MET N N 32 114.620 114.620 115.024 -0.404 18887 5008 1 9 . 1 1 32 32 MET HA H 32 4.240 4.240 4.300 -0.060 18887 5009 1 9 . 1 1 32 32 MET C C 32 175.810 175.810 176.656 -0.846 18887 5010 1 9 . 1 1 32 32 MET CA C 32 57.400 57.400 56.909 0.491 18887 5011 1 9 . 1 1 32 32 MET CB C 32 37.710 37.710 33.544 4.166 18887 5012 1 9 . 1 1 32 32 MET H H 32 7.420 7.420 8.123 -0.703 18887 5013 1 9 . 1 1 33 33 GLY N N 33 124.900 124.900 107.722 17.178 18887 5014 1 9 . 1 1 33 33 GLY C C 33 174.340 174.340 172.902 1.438 18887 5015 1 9 . 1 1 33 33 GLY CA C 33 46.830 46.830 44.934 1.896 18887 5016 1 9 . 1 1 33 33 GLY H H 33 7.860 7.860 8.146 -0.286 18887 5017 1 9 . 1 1 34 34 ASN N N 34 116.070 116.070 117.676 -1.606 18887 5018 1 9 . 1 1 34 34 ASN HA H 34 5.210 5.210 5.636 -0.426 18887 5019 1 9 . 1 1 34 34 ASN C C 34 173.080 173.080 174.060 -0.980 18887 5020 1 9 . 1 1 34 34 ASN CA C 34 52.770 52.770 51.745 1.025 18887 5021 1 9 . 1 1 34 34 ASN CB C 34 42.880 42.880 41.717 1.163 18887 5022 1 9 . 1 1 34 34 ASN H H 34 8.160 8.160 8.135 0.025 18887 5023 1 9 . 1 1 35 35 LEU N N 35 121.450 121.450 120.898 0.552 18887 5024 1 9 . 1 1 35 35 LEU HA H 35 4.620 4.620 4.724 -0.104 18887 5025 1 9 . 1 1 35 35 LEU C C 35 174.930 174.930 175.355 -0.425 18887 5026 1 9 . 1 1 35 35 LEU CA C 35 55.150 55.150 53.665 1.485 18887 5027 1 9 . 1 1 35 35 LEU CB C 35 44.760 44.760 41.328 3.432 18887 5028 1 9 . 1 1 35 35 LEU H H 35 8.770 8.770 8.960 -0.190 18887 5029 1 9 . 1 1 36 36 ILE N N 36 119.690 119.690 124.453 -4.763 18887 5030 1 9 . 1 1 36 36 ILE HA H 36 5.660 5.660 5.049 0.611 18887 5031 1 9 . 1 1 36 36 ILE C C 36 172.620 172.620 175.129 -2.509 18887 5032 1 9 . 1 1 36 36 ILE CA C 36 59.410 59.410 59.326 0.084 18887 5033 1 9 . 1 1 36 36 ILE CB C 36 44.340 44.340 41.231 3.109 18887 5034 1 9 . 1 1 36 36 ILE H H 36 8.390 8.390 8.548 -0.158 18887 5035 1 9 . 1 1 37 37 LYS N N 37 126.230 126.230 129.793 -3.563 18887 5036 1 9 . 1 1 37 37 LYS HA H 37 4.590 4.590 4.670 -0.080 18887 5037 1 9 . 1 1 37 37 LYS C C 37 174.340 174.340 174.671 -0.331 18887 5038 1 9 . 1 1 37 37 LYS CA C 37 57.050 57.050 53.943 3.107 18887 5039 1 9 . 1 1 37 37 LYS CB C 37 36.860 36.860 32.536 4.324 18887 5040 1 9 . 1 1 37 37 LYS H H 37 7.210 7.210 9.006 -1.796 18887 5041 1 9 . 1 1 38 38 VAL N N 38 124.270 124.270 121.700 2.570 18887 5042 1 9 . 1 1 38 38 VAL HA H 38 4.920 4.920 5.240 -0.320 18887 5043 1 9 . 1 1 38 38 VAL C C 38 174.660 174.660 175.851 -1.191 18887 5044 1 9 . 1 1 38 38 VAL CA C 38 61.420 61.420 59.816 1.604 18887 5045 1 9 . 1 1 38 38 VAL CB C 38 35.020 35.020 32.762 2.258 18887 5046 1 9 . 1 1 38 38 VAL H H 38 8.760 8.760 8.467 0.293 18887 5047 1 9 . 1 1 39 39 GLU N N 39 114.800 114.800 127.519 -12.719 18887 5048 1 9 . 1 1 39 39 GLU HA H 39 5.020 5.020 4.778 0.242 18887 5049 1 9 . 1 1 39 39 GLU C C 39 175.680 175.680 175.817 -0.137 18887 5050 1 9 . 1 1 39 39 GLU CA C 39 55.680 55.680 54.986 0.694 18887 5051 1 9 . 1 1 39 39 GLU CB C 39 33.940 33.940 32.786 1.154 18887 5052 1 9 . 1 1 39 39 GLU H H 39 9.210 9.210 8.878 0.332 18887 5053 1 9 . 1 1 40 40 THR N N 40 115.120 115.120 121.109 -5.989 18887 5054 1 9 . 1 1 40 40 THR HA H 40 5.180 5.180 4.908 0.272 18887 5055 1 9 . 1 1 40 40 THR C C 40 174.200 174.200 172.986 1.214 18887 5056 1 9 . 1 1 40 40 THR CA C 40 59.710 59.710 61.612 -1.902 18887 5057 1 9 . 1 1 40 40 THR CB C 40 71.270 71.270 70.253 1.017 18887 5058 1 9 . 1 1 40 40 THR H H 40 8.500 8.500 8.279 0.221 18887 5059 1 9 . 1 1 41 41 GLN N N 41 119.850 119.850 127.839 -7.989 18887 5060 1 9 . 1 1 41 41 GLN HA H 41 4.990 4.990 5.254 -0.264 18887 5061 1 9 . 1 1 41 41 GLN C C 41 175.110 175.110 175.475 -0.365 18887 5062 1 9 . 1 1 41 41 GLN CA C 41 54.980 54.980 53.594 1.386 18887 5063 1 9 . 1 1 41 41 GLN CB C 41 29.780 29.780 32.649 -2.869 18887 5064 1 9 . 1 1 41 41 GLN H H 41 8.470 8.470 8.414 0.056 18887 5065 1 9 . 1 1 42 42 GLY N N 42 109.530 109.530 111.485 -1.955 18887 5066 1 9 . 1 1 42 42 GLY C C 42 174.750 174.750 173.924 0.826 18887 5067 1 9 . 1 1 42 42 GLY CA C 42 45.630 45.630 46.601 -0.971 18887 5068 1 9 . 1 1 42 42 GLY H H 42 7.890 7.890 8.480 -0.590 18887 5069 1 9 . 1 1 43 43 ALA N N 43 123.850 123.850 116.624 7.226 18887 5070 1 9 . 1 1 43 43 ALA HA H 43 4.170 4.170 4.643 -0.473 18887 5071 1 9 . 1 1 43 43 ALA C C 43 169.490 169.490 176.270 -6.780 18887 5072 1 9 . 1 1 43 43 ALA CA C 43 56.170 56.170 53.175 2.995 18887 5073 1 9 . 1 1 43 43 ALA CB C 43 19.910 19.910 20.153 -0.243 18887 5074 1 9 . 1 1 43 43 ALA H H 43 8.730 8.730 8.106 0.624 18887 5075 1 9 . 1 1 44 44 THR N N 44 122.380 122.380 111.624 10.756 18887 5076 1 9 . 1 1 44 44 THR HA H 44 4.390 4.390 4.375 0.015 18887 5077 1 9 . 1 1 44 44 THR C C 44 174.260 174.260 174.267 -0.007 18887 5078 1 9 . 1 1 44 44 THR CA C 44 62.190 62.190 62.319 -0.129 18887 5079 1 9 . 1 1 44 44 THR CB C 44 70.080 70.080 69.841 0.239 18887 5080 1 9 . 1 1 44 44 THR H H 44 7.950 7.950 7.955 -0.005 18887 5081 1 9 . 1 1 45 45 GLY N N 45 109.360 109.360 111.193 -1.833 18887 5082 1 9 . 1 1 45 45 GLY C C 45 172.380 172.380 173.049 -0.669 18887 5083 1 9 . 1 1 45 45 GLY CA C 45 45.510 45.510 44.296 1.214 18887 5084 1 9 . 1 1 45 45 GLY H H 45 7.560 7.560 7.905 -0.345 18887 5085 1 9 . 1 1 46 46 ILE N N 46 122.050 122.050 125.094 -3.044 18887 5086 1 9 . 1 1 46 46 ILE HA H 46 4.780 4.780 4.585 0.195 18887 5087 1 9 . 1 1 46 46 ILE C C 46 176.010 176.010 175.727 0.283 18887 5088 1 9 . 1 1 46 46 ILE CA C 46 61.950 61.950 61.001 0.949 18887 5089 1 9 . 1 1 46 46 ILE CB C 46 40.810 40.810 38.937 1.873 18887 5090 1 9 . 1 1 46 46 ILE H H 46 8.480 8.480 8.648 -0.168 18887 5091 1 9 . 1 1 47 47 GLU N N 47 109.160 109.160 127.842 -18.682 18887 5092 1 9 . 1 1 47 47 GLU HA H 47 4.660 4.660 4.306 0.354 18887 5093 1 9 . 1 1 47 47 GLU C C 47 174.750 174.750 176.997 -2.247 18887 5094 1 9 . 1 1 47 47 GLU CA C 47 55.940 55.940 57.855 -1.915 18887 5095 1 9 . 1 1 47 47 GLU CB C 47 33.640 33.640 31.172 2.468 18887 5096 1 9 . 1 1 47 47 GLU H H 47 9.000 9.000 9.150 -0.150 18887 5097 1 9 . 1 1 48 48 ASN N N 48 120.510 120.510 119.690 0.820 18887 5098 1 9 . 1 1 48 48 ASN HA H 48 4.230 4.230 4.832 -0.602 18887 5099 1 9 . 1 1 48 48 ASN C C 48 173.090 173.090 174.124 -1.034 18887 5100 1 9 . 1 1 48 48 ASN CA C 48 54.770 54.770 52.208 2.562 18887 5101 1 9 . 1 1 48 48 ASN CB C 48 38.800 38.800 38.590 0.210 18887 5102 1 9 . 1 1 48 48 ASN H H 48 8.930 8.930 7.871 1.059 18887 5103 1 9 . 1 1 49 49 GLU N N 49 114.160 114.160 122.302 -8.142 18887 5104 1 9 . 1 1 49 49 GLU HA H 49 3.890 3.890 4.312 -0.422 18887 5105 1 9 . 1 1 49 49 GLU C C 49 177.780 177.780 176.275 1.505 18887 5106 1 9 . 1 1 49 49 GLU CA C 49 57.870 57.870 56.816 1.054 18887 5107 1 9 . 1 1 49 49 GLU CB C 49 31.900 31.900 29.922 1.978 18887 5108 1 9 . 1 1 49 49 GLU H H 49 7.690 7.690 7.780 -0.090 18887 5109 1 9 . 1 1 50 50 LEU N N 50 109.440 109.440 129.092 -19.652 18887 5110 1 9 . 1 1 50 50 LEU HA H 50 4.680 4.680 4.325 0.355 18887 5111 1 9 . 1 1 50 50 LEU C C 50 177.490 177.490 176.781 0.709 18887 5112 1 9 . 1 1 50 50 LEU CA C 50 55.520 55.520 54.684 0.836 18887 5113 1 9 . 1 1 50 50 LEU CB C 50 43.440 43.440 41.123 2.317 18887 5114 1 9 . 1 1 50 50 LEU H H 50 9.560 9.560 9.255 0.305 18887 5115 1 9 . 1 1 51 51 THR N N 51 117.490 117.490 115.835 1.655 18887 5116 1 9 . 1 1 51 51 THR HA H 51 4.420 4.420 4.442 -0.022 18887 5117 1 9 . 1 1 51 51 THR C C 51 175.010 175.010 175.290 -0.280 18887 5118 1 9 . 1 1 51 51 THR CA C 51 61.230 61.230 59.989 1.241 18887 5119 1 9 . 1 1 51 51 THR CB C 51 72.860 72.860 70.740 2.120 18887 5120 1 9 . 1 1 51 51 THR H H 51 9.380 9.380 9.012 0.368 18887 5121 1 9 . 1 1 52 52 GLU N N 52 120.490 120.490 121.803 -1.313 18887 5122 1 9 . 1 1 52 52 GLU HA H 52 3.860 3.860 3.882 -0.022 18887 5123 1 9 . 1 1 52 52 GLU C C 52 178.660 178.660 178.260 0.400 18887 5124 1 9 . 1 1 52 52 GLU CA C 52 61.130 61.130 61.102 0.028 18887 5125 1 9 . 1 1 52 52 GLU CB C 52 30.280 30.280 29.371 0.909 18887 5126 1 9 . 1 1 52 52 GLU H H 52 8.910 8.910 8.855 0.055 18887 5127 1 9 . 1 1 53 53 LYS N N 53 118.660 118.660 117.535 1.125 18887 5128 1 9 . 1 1 53 53 LYS HA H 53 4.020 4.020 4.031 -0.011 18887 5129 1 9 . 1 1 53 53 LYS C C 53 178.190 178.190 178.686 -0.496 18887 5130 1 9 . 1 1 53 53 LYS CA C 53 60.390 60.390 59.217 1.173 18887 5131 1 9 . 1 1 53 53 LYS CB C 53 33.210 33.210 31.910 1.300 18887 5132 1 9 . 1 1 53 53 LYS H H 53 7.890 7.890 8.205 -0.315 18887 5133 1 9 . 1 1 54 54 ASP N N 54 118.400 118.400 119.724 -1.324 18887 5134 1 9 . 1 1 54 54 ASP HA H 54 4.200 4.200 4.410 -0.210 18887 5135 1 9 . 1 1 54 54 ASP C C 54 169.070 169.070 178.768 -9.698 18887 5136 1 9 . 1 1 54 54 ASP CA C 54 58.300 58.300 57.391 0.909 18887 5137 1 9 . 1 1 54 54 ASP CB C 54 43.110 43.110 40.765 2.345 18887 5138 1 9 . 1 1 54 54 ASP H H 54 7.440 7.440 7.642 -0.202 18887 5139 1 9 . 1 1 55 55 VAL N N 55 118.420 118.420 120.568 -2.148 18887 5140 1 9 . 1 1 55 55 VAL HA H 55 3.520 3.520 3.764 -0.244 18887 5141 1 9 . 1 1 55 55 VAL C C 55 176.980 176.980 177.512 -0.532 18887 5142 1 9 . 1 1 55 55 VAL CA C 55 66.950 66.950 66.596 0.354 18887 5143 1 9 . 1 1 55 55 VAL CB C 55 32.360 32.360 31.621 0.739 18887 5144 1 9 . 1 1 55 55 VAL H H 55 8.150 8.150 8.408 -0.258 18887 5145 1 9 . 1 1 56 56 ASN N N 56 117.100 117.100 115.330 1.770 18887 5146 1 9 . 1 1 56 56 ASN HA H 56 4.410 4.410 4.568 -0.158 18887 5147 1 9 . 1 1 56 56 ASN C C 56 177.330 177.330 176.677 0.653 18887 5148 1 9 . 1 1 56 56 ASN CA C 56 57.170 57.170 55.349 1.821 18887 5149 1 9 . 1 1 56 56 ASN CB C 56 39.930 39.930 38.908 1.022 18887 5150 1 9 . 1 1 56 56 ASN H H 56 8.000 8.000 7.878 0.122 18887 5151 1 9 . 1 1 57 57 ILE N N 57 115.580 115.580 118.063 -2.483 18887 5152 1 9 . 1 1 57 57 ILE HA H 57 3.950 3.950 4.096 -0.146 18887 5153 1 9 . 1 1 57 57 ILE C C 57 176.980 176.980 176.713 0.267 18887 5154 1 9 . 1 1 57 57 ILE CA C 57 63.240 63.240 61.703 1.537 18887 5155 1 9 . 1 1 57 57 ILE CB C 57 39.890 39.890 38.040 1.850 18887 5156 1 9 . 1 1 57 57 ILE H H 57 7.600 7.600 7.303 0.297 18887 5157 1 9 . 1 1 58 58 GLY N N 58 124.080 124.080 106.940 17.140 18887 5158 1 9 . 1 1 58 58 GLY C C 58 173.190 173.190 174.530 -1.340 18887 5159 1 9 . 1 1 58 58 GLY CA C 58 47.110 47.110 45.110 2.000 18887 5160 1 9 . 1 1 58 58 GLY H H 58 7.630 7.630 8.062 -0.432 18887 5161 1 9 . 1 1 59 59 GLU N N 59 123.240 123.240 125.275 -2.035 18887 5162 1 9 . 1 1 59 59 GLU HA H 59 4.240 4.240 4.242 -0.002 18887 5163 1 9 . 1 1 59 59 GLU C C 59 176.750 176.750 176.896 -0.146 18887 5164 1 9 . 1 1 59 59 GLU CA C 59 59.830 59.830 58.884 0.946 18887 5165 1 9 . 1 1 59 59 GLU CB C 59 33.100 33.100 30.327 2.773 18887 5166 1 9 . 1 1 59 59 GLU H H 59 9.350 9.350 8.756 0.594 18887 5167 1 9 . 1 1 60 60 VAL N N 60 114.370 114.370 112.899 1.471 18887 5168 1 9 . 1 1 60 60 VAL HA H 60 4.410 4.410 4.911 -0.501 18887 5169 1 9 . 1 1 60 60 VAL C C 60 170.270 170.270 174.548 -4.278 18887 5170 1 9 . 1 1 60 60 VAL CA C 60 60.710 60.710 60.108 0.601 18887 5171 1 9 . 1 1 60 60 VAL CB C 60 35.150 35.150 34.098 1.052 18887 5172 1 9 . 1 1 60 60 VAL H H 60 7.640 7.640 7.241 0.399 18887 5173 1 9 . 1 1 61 61 VAL N N 61 125.780 125.780 122.394 3.386 18887 5174 1 9 . 1 1 61 61 VAL HA H 61 4.970 4.970 4.866 0.104 18887 5175 1 9 . 1 1 61 61 VAL C C 61 174.450 174.450 175.152 -0.702 18887 5176 1 9 . 1 1 61 61 VAL CA C 61 60.260 60.260 60.179 0.081 18887 5177 1 9 . 1 1 61 61 VAL CB C 61 34.710 34.710 32.495 2.215 18887 5178 1 9 . 1 1 61 61 VAL H H 61 8.290 8.290 8.747 -0.457 18887 5179 1 9 . 1 1 62 62 ILE N N 62 124.740 124.740 127.087 -2.347 18887 5180 1 9 . 1 1 62 62 ILE HA H 62 4.820 4.820 4.598 0.222 18887 5181 1 9 . 1 1 62 62 ILE C C 62 175.020 175.020 174.597 0.423 18887 5182 1 9 . 1 1 62 62 ILE CA C 62 60.490 60.490 59.900 0.590 18887 5183 1 9 . 1 1 62 62 ILE CB C 62 42.560 42.560 39.730 2.830 18887 5184 1 9 . 1 1 62 62 ILE H H 62 8.580 8.580 8.341 0.239 18887 5185 1 9 . 1 1 63 63 PHE N N 63 109.510 109.510 126.246 -16.736 18887 5186 1 9 . 1 1 63 63 PHE HA H 63 5.490 5.490 4.975 0.515 18887 5187 1 9 . 1 1 63 63 PHE C C 63 173.600 173.600 174.223 -0.623 18887 5188 1 9 . 1 1 63 63 PHE CA C 63 53.020 53.020 56.003 -2.983 18887 5189 1 9 . 1 1 63 63 PHE CB C 63 40.150 40.150 40.957 -0.807 18887 5190 1 9 . 1 1 63 63 PHE H H 63 9.320 9.320 8.882 0.438 18887 5191 1 9 . 1 1 64 64 ALA N N 64 112.790 112.790 128.432 -15.642 18887 5192 1 9 . 1 1 64 64 ALA HA H 64 5.430 5.430 5.744 -0.314 18887 5193 1 9 . 1 1 64 64 ALA C C 64 175.040 175.040 175.660 -0.620 18887 5194 1 9 . 1 1 64 64 ALA CA C 64 50.740 50.740 50.042 0.698 18887 5195 1 9 . 1 1 64 64 ALA CB C 64 19.690 19.690 20.013 -0.323 18887 5196 1 9 . 1 1 64 64 ALA H H 64 8.840 8.840 9.062 -0.222 18887 5197 1 9 . 1 1 65 65 VAL N N 65 110.260 110.260 117.736 -7.476 18887 5198 1 9 . 1 1 65 65 VAL HA H 65 5.690 5.690 5.500 0.190 18887 5199 1 9 . 1 1 65 65 VAL C C 65 175.380 175.380 174.436 0.944 18887 5200 1 9 . 1 1 65 65 VAL CA C 65 59.060 59.060 59.956 -0.896 18887 5201 1 9 . 1 1 65 65 VAL CB C 65 38.800 38.800 35.300 3.499 18887 5202 1 9 . 1 1 65 65 VAL H H 65 8.080 8.080 7.558 0.522 18887 5203 1 9 . 1 1 66 66 ASP N N 66 119.250 119.250 124.530 -5.280 18887 5204 1 9 . 1 1 66 66 ASP HA H 66 4.870 4.870 4.785 0.085 18887 5205 1 9 . 1 1 66 66 ASP C C 66 175.600 175.600 176.046 -0.446 18887 5206 1 9 . 1 1 66 66 ASP CA C 66 53.780 53.780 54.727 -0.948 18887 5207 1 9 . 1 1 66 66 ASP CB C 66 42.910 42.910 42.476 0.434 18887 5208 1 9 . 1 1 66 66 ASP H H 66 7.760 7.760 8.821 -1.061 18887 5209 1 9 . 1 1 67 67 THR N N 67 112.330 112.330 114.567 -2.237 18887 5210 1 9 . 1 1 67 67 THR HA H 67 4.510 4.510 4.458 0.052 18887 5211 1 9 . 1 1 67 67 THR C C 67 172.370 172.370 173.091 -0.721 18887 5212 1 9 . 1 1 67 67 THR CA C 67 59.650 59.650 60.281 -0.631 18887 5213 1 9 . 1 1 67 67 THR CB C 67 70.230 70.230 70.228 0.002 18887 5214 1 9 . 1 1 67 67 THR H H 67 7.070 7.070 7.358 -0.288 18887 5215 1 9 . 1 1 68 68 LYS N N 68 121.380 121.380 124.777 -3.397 18887 5216 1 9 . 1 1 68 68 LYS HA H 68 4.080 4.080 4.336 -0.256 18887 5217 1 9 . 1 1 68 68 LYS C C 68 176.250 176.250 174.968 1.282 18887 5218 1 9 . 1 1 68 68 LYS CA C 68 57.470 57.470 56.000 1.470 18887 5219 1 9 . 1 1 68 68 LYS CB C 68 34.020 34.020 33.401 0.619 18887 5220 1 9 . 1 1 68 68 LYS H H 68 7.540 7.540 8.160 -0.620 18887 5221 1 9 . 1 1 69 69 VAL N N 69 125.310 125.310 115.785 9.525 18887 5222 1 9 . 1 1 69 69 VAL HA H 69 3.320 3.320 4.499 -1.179 18887 5223 1 9 . 1 1 69 69 VAL C C 69 175.890 175.890 175.133 0.757 18887 5224 1 9 . 1 1 69 69 VAL CA C 69 64.110 64.110 60.340 3.770 18887 5225 1 9 . 1 1 69 69 VAL CB C 69 33.810 33.810 34.250 -0.440 18887 5226 1 9 . 1 1 69 69 VAL H H 69 8.320 8.320 8.025 0.295 18887 5227 1 9 . 1 1 70 70 ARG N N 70 111.240 111.240 124.870 -13.630 18887 5228 1 9 . 1 1 70 70 ARG HA H 70 4.160 4.160 4.266 -0.106 18887 5229 1 9 . 1 1 70 70 ARG C C 70 177.030 177.030 177.577 -0.547 18887 5230 1 9 . 1 1 70 70 ARG CA C 70 57.630 57.630 57.755 -0.125 18887 5231 1 9 . 1 1 70 70 ARG CB C 70 31.440 31.440 30.610 0.831 18887 5232 1 9 . 1 1 70 70 ARG H H 70 9.580 9.580 8.862 0.718 18887 5233 1 9 . 1 1 71 71 ASN N N 71 120.660 120.660 118.733 1.927 18887 5234 1 9 . 1 1 71 71 ASN HA H 71 4.670 4.670 4.643 0.027 18887 5235 1 9 . 1 1 71 71 ASN C C 71 177.530 177.530 177.323 0.207 18887 5236 1 9 . 1 1 71 71 ASN CA C 71 54.770 54.770 55.056 -0.286 18887 5237 1 9 . 1 1 71 71 ASN CB C 71 37.130 37.130 37.514 -0.384 18887 5238 1 9 . 1 1 71 71 ASN H H 71 9.170 9.170 8.717 0.453 18887 5239 1 9 . 1 1 72 72 LYS N N 72 120.730 120.730 122.103 -1.373 18887 5240 1 9 . 1 1 72 72 LYS HA H 72 4.010 4.010 4.450 -0.440 18887 5241 1 9 . 1 1 72 72 LYS C C 72 177.790 177.790 177.939 -0.149 18887 5242 1 9 . 1 1 72 72 LYS CA C 72 59.910 59.910 59.213 0.697 18887 5243 1 9 . 1 1 72 72 LYS CB C 72 33.260 33.260 32.056 1.204 18887 5244 1 9 . 1 1 72 72 LYS H H 72 8.400 8.400 8.180 0.220 18887 5245 1 9 . 1 1 73 73 GLU N N 73 122.670 122.670 117.565 5.105 18887 5246 1 9 . 1 1 73 73 GLU HA H 73 4.160 4.160 3.914 0.246 18887 5247 1 9 . 1 1 73 73 GLU C C 73 177.620 177.620 178.324 -0.704 18887 5248 1 9 . 1 1 73 73 GLU CA C 73 60.380 60.380 59.263 1.117 18887 5249 1 9 . 1 1 73 73 GLU CB C 73 28.660 28.660 29.413 -0.753 18887 5250 1 9 . 1 1 73 73 GLU H H 73 9.960 9.960 7.929 2.031 18887 5251 1 9 . 1 1 74 74 ARG N N 74 117.370 117.370 116.187 1.183 18887 5252 1 9 . 1 1 74 74 ARG HA H 74 3.770 3.770 4.189 -0.418 18887 5253 1 9 . 1 1 74 74 ARG C C 74 177.380 177.380 178.356 -0.976 18887 5254 1 9 . 1 1 74 74 ARG CA C 74 59.010 59.010 57.694 1.317 18887 5255 1 9 . 1 1 74 74 ARG CB C 74 32.720 32.720 30.151 2.569 18887 5256 1 9 . 1 1 74 74 ARG H H 74 6.830 6.830 7.645 -0.815 18887 5257 1 9 . 1 1 75 75 PHE N N 75 112.920 112.920 119.208 -6.288 18887 5258 1 9 . 1 1 75 75 PHE HA H 75 4.280 4.280 4.671 -0.391 18887 5259 1 9 . 1 1 75 75 PHE C C 75 174.870 174.870 177.171 -2.301 18887 5260 1 9 . 1 1 75 75 PHE CA C 75 57.370 57.370 58.198 -0.828 18887 5261 1 9 . 1 1 75 75 PHE CB C 75 39.380 39.380 38.184 1.196 18887 5262 1 9 . 1 1 75 75 PHE H H 75 7.670 7.670 7.171 0.498 18887 5263 1 9 . 1 1 76 76 ASP N N 76 121.780 121.780 120.158 1.622 18887 5264 1 9 . 1 1 76 76 ASP HA H 76 4.380 4.380 4.548 -0.168 18887 5265 1 9 . 1 1 76 76 ASP C C 76 177.380 177.380 177.471 -0.091 18887 5266 1 9 . 1 1 76 76 ASP CA C 76 57.700 57.700 57.005 0.695 18887 5267 1 9 . 1 1 76 76 ASP CB C 76 41.270 41.270 40.739 0.531 18887 5268 1 9 . 1 1 76 76 ASP H H 76 7.210 7.210 8.038 -0.828 18887 5269 1 9 . 1 1 77 77 GLY N N 77 111.910 111.910 106.141 5.769 18887 5270 1 9 . 1 1 77 77 GLY C C 77 174.310 174.310 174.002 0.308 18887 5271 1 9 . 1 1 77 77 GLY CA C 77 46.290 46.290 44.952 1.338 18887 5272 1 9 . 1 1 77 77 GLY H H 77 8.920 8.920 8.081 0.839 18887 5273 1 9 . 1 1 78 78 LYS N N 78 117.910 117.910 119.967 -2.057 18887 5274 1 9 . 1 1 78 78 LYS HA H 78 4.540 4.540 4.837 -0.297 18887 5275 1 9 . 1 1 78 78 LYS C C 78 175.910 175.910 175.640 0.270 18887 5276 1 9 . 1 1 78 78 LYS CA C 78 53.410 53.410 54.587 -1.177 18887 5277 1 9 . 1 1 78 78 LYS CB C 78 32.780 32.780 36.246 -3.466 18887 5278 1 9 . 1 1 78 78 LYS H H 78 7.700 7.700 7.748 -0.048 18887 5279 1 9 . 1 1 79 79 VAL N N 79 124.500 124.500 121.931 2.569 18887 5280 1 9 . 1 1 79 79 VAL HA H 79 3.850 3.850 4.228 -0.378 18887 5281 1 9 . 1 1 79 79 VAL C C 79 174.140 174.140 174.600 -0.460 18887 5282 1 9 . 1 1 79 79 VAL CA C 79 64.810 64.810 62.393 2.417 18887 5283 1 9 . 1 1 79 79 VAL CB C 79 32.390 32.390 31.284 1.106 18887 5284 1 9 . 1 1 79 79 VAL H H 79 8.890 8.890 8.735 0.155 18887 5285 1 9 . 1 1 80 80 VAL N N 80 125.810 125.810 124.288 1.522 18887 5286 1 9 . 1 1 80 80 VAL HA H 80 4.690 4.690 5.233 -0.543 18887 5287 1 9 . 1 1 80 80 VAL C C 80 175.270 175.270 174.328 0.942 18887 5288 1 9 . 1 1 80 80 VAL CA C 80 60.670 60.670 58.578 2.092 18887 5289 1 9 . 1 1 80 80 VAL CB C 80 35.970 35.970 35.123 0.847 18887 5290 1 9 . 1 1 80 80 VAL H H 80 7.860 7.860 8.233 -0.373 18887 5291 1 9 . 1 1 81 81 LEU N N 81 110.550 110.550 123.993 -13.443 18887 5292 1 9 . 1 1 81 81 LEU HA H 81 4.490 4.490 4.801 -0.311 18887 5293 1 9 . 1 1 81 81 LEU C C 81 173.930 173.930 175.103 -1.173 18887 5294 1 9 . 1 1 81 81 LEU CA C 81 54.410 54.410 54.873 -0.463 18887 5295 1 9 . 1 1 81 81 LEU CB C 81 45.100 45.100 44.757 0.343 18887 5296 1 9 . 1 1 81 81 LEU H H 81 8.790 8.790 8.996 -0.206 18887 5297 1 9 . 1 1 82 82 GLU N N 82 111.070 111.070 127.139 -16.069 18887 5298 1 9 . 1 1 82 82 GLU HA H 82 5.460 5.460 5.230 0.230 18887 5299 1 9 . 1 1 82 82 GLU C C 82 175.440 175.440 175.457 -0.017 18887 5300 1 9 . 1 1 82 82 GLU CA C 82 56.010 56.010 55.680 0.330 18887 5301 1 9 . 1 1 82 82 GLU CB C 82 32.100 32.100 31.282 0.818 18887 5302 1 9 . 1 1 82 82 GLU H H 82 8.750 8.750 8.706 0.044 18887 5303 1 9 . 1 1 83 83 VAL N N 83 119.980 119.980 118.997 0.983 18887 5304 1 9 . 1 1 83 83 VAL HA H 83 4.950 4.950 4.729 0.221 18887 5305 1 9 . 1 1 83 83 VAL C C 83 172.120 172.120 173.357 -1.237 18887 5306 1 9 . 1 1 83 83 VAL CA C 83 58.760 58.760 58.253 0.507 18887 5307 1 9 . 1 1 83 83 VAL CB C 83 34.570 34.570 33.325 1.245 18887 5308 1 9 . 1 1 83 83 VAL H H 83 9.390 9.390 9.044 0.346 18887 5309 1 9 . 1 1 84 84 PRO HA H 84 4.740 4.740 4.475 0.265 18887 5310 1 9 . 1 1 84 84 PRO C C 84 178.300 178.300 177.917 0.383 18887 5311 1 9 . 1 1 84 84 PRO CA C 84 63.330 63.330 62.915 0.415 18887 5312 1 9 . 1 1 84 84 PRO CB C 84 33.430 33.430 32.011 1.419 18887 5313 1 9 . 1 1 85 85 VAL N N 85 122.390 122.390 122.573 -0.183 18887 5314 1 9 . 1 1 85 85 VAL HA H 85 3.320 3.320 3.734 -0.414 18887 5315 1 9 . 1 1 85 85 VAL C C 85 174.190 174.190 176.498 -2.308 18887 5316 1 9 . 1 1 85 85 VAL CA C 85 66.540 66.540 64.300 2.240 18887 5317 1 9 . 1 1 85 85 VAL CB C 85 32.970 32.970 31.941 1.029 18887 5318 1 9 . 1 1 85 85 VAL H H 85 7.240 7.240 8.472 -1.232 18887 5319 1 9 . 1 1 86 86 SER N N 86 125.590 125.590 112.862 12.728 18887 5320 1 9 . 1 1 86 86 SER HA H 86 4.020 4.020 4.243 -0.223 18887 5321 1 9 . 1 1 86 86 SER C C 86 176.940 176.940 175.576 1.364 18887 5322 1 9 . 1 1 86 86 SER CA C 86 60.200 60.200 59.974 0.226 18887 5323 1 9 . 1 1 86 86 SER CB C 86 64.060 64.060 63.027 1.033 18887 5324 1 9 . 1 1 86 86 SER H H 86 7.600 7.600 7.918 -0.318 18887 5325 1 9 . 1 1 87 87 ALA N N 87 125.200 125.200 124.161 1.039 18887 5326 1 9 . 1 1 87 87 ALA HA H 87 4.280 4.280 4.319 -0.039 18887 5327 1 9 . 1 1 87 87 ALA C C 87 177.370 177.370 176.140 1.230 18887 5328 1 9 . 1 1 87 87 ALA CA C 87 57.600 57.600 56.425 1.175 18887 5329 1 9 . 1 1 87 87 ALA CB C 87 16.620 16.620 16.724 -0.104 18887 5330 1 9 . 1 1 87 87 ALA H H 87 7.870 7.870 7.764 0.106 18887 5331 1 9 . 1 1 88 88 PRO HA H 88 4.000 4.000 4.398 -0.398 18887 5332 1 9 . 1 1 88 88 PRO C C 88 175.090 175.090 177.390 -2.300 18887 5333 1 9 . 1 1 88 88 PRO CA C 88 65.410 65.410 64.834 0.576 18887 5334 1 9 . 1 1 88 88 PRO CB C 88 32.130 32.130 31.027 1.103 18887 5335 1 9 . 1 1 89 89 ILE N N 89 114.700 114.700 118.979 -4.279 18887 5336 1 9 . 1 1 89 89 ILE HA H 89 3.310 3.310 3.841 -0.531 18887 5337 1 9 . 1 1 89 89 ILE C C 89 177.850 177.850 176.512 1.338 18887 5338 1 9 . 1 1 89 89 ILE CA C 89 66.320 66.320 63.917 2.403 18887 5339 1 9 . 1 1 89 89 ILE CB C 89 38.790 38.790 38.256 0.534 18887 5340 1 9 . 1 1 89 89 ILE H H 89 6.300 6.300 7.294 -0.994 18887 5341 1 9 . 1 1 90 90 LYS N N 90 118.530 118.530 116.212 2.318 18887 5342 1 9 . 1 1 90 90 LYS HA H 90 4.060 4.060 4.430 -0.370 18887 5343 1 9 . 1 1 90 90 LYS C C 90 177.390 177.390 177.244 0.146 18887 5344 1 9 . 1 1 90 90 LYS CA C 90 59.710 59.710 56.599 3.111 18887 5345 1 9 . 1 1 90 90 LYS CB C 90 33.940 33.940 33.467 0.473 18887 5346 1 9 . 1 1 90 90 LYS H H 90 7.440 7.440 7.610 -0.170 18887 5347 1 9 . 1 1 91 91 ASP N N 91 114.670 114.670 118.990 -4.320 18887 5348 1 9 . 1 1 91 91 ASP HA H 91 4.530 4.530 4.848 -0.318 18887 5349 1 9 . 1 1 91 91 ASP C C 91 174.350 174.350 176.002 -1.652 18887 5350 1 9 . 1 1 91 91 ASP CA C 91 55.120 55.120 52.151 2.969 18887 5351 1 9 . 1 1 91 91 ASP CB C 91 41.530 41.530 41.202 0.328 18887 5352 1 9 . 1 1 91 91 ASP H H 91 7.700 7.700 8.363 -0.663 18887 5353 1 9 . 1 1 92 92 ALA N N 92 111.350 111.350 122.930 -11.580 18887 5354 1 9 . 1 1 92 92 ALA HA H 92 3.830 3.830 3.935 -0.105 18887 5355 1 9 . 1 1 92 92 ALA C C 92 169.330 169.330 179.122 -9.792 18887 5356 1 9 . 1 1 92 92 ALA CA C 92 57.220 57.220 55.375 1.845 18887 5357 1 9 . 1 1 92 92 ALA CB C 92 20.700 20.700 18.596 2.104 18887 5358 1 9 . 1 1 92 92 ALA H H 92 8.860 8.860 8.343 0.517 18887 5359 1 9 . 1 1 93 93 GLU N N 93 117.860 117.860 117.984 -0.124 18887 5360 1 9 . 1 1 93 93 GLU HA H 93 3.860 3.860 3.952 -0.092 18887 5361 1 9 . 1 1 93 93 GLU C C 93 177.970 177.970 178.684 -0.714 18887 5362 1 9 . 1 1 93 93 GLU CA C 93 61.240 61.240 59.460 1.780 18887 5363 1 9 . 1 1 93 93 GLU CB C 93 30.570 30.570 29.139 1.431 18887 5364 1 9 . 1 1 93 93 GLU H H 93 8.520 8.520 8.620 -0.100 18887 5365 1 9 . 1 1 94 94 LYS N N 94 119.790 119.790 120.490 -0.700 18887 5366 1 9 . 1 1 94 94 LYS HA H 94 3.930 3.930 4.089 -0.159 18887 5367 1 9 . 1 1 94 94 LYS C C 94 169.840 169.840 178.915 -9.075 18887 5368 1 9 . 1 1 94 94 LYS CA C 94 60.600 60.600 59.123 1.477 18887 5369 1 9 . 1 1 94 94 LYS CB C 94 33.550 33.550 32.417 1.133 18887 5370 1 9 . 1 1 94 94 LYS H H 94 7.670 7.670 7.674 -0.004 18887 5371 1 9 . 1 1 95 95 VAL N N 95 118.850 118.850 119.545 -0.695 18887 5372 1 9 . 1 1 95 95 VAL HA H 95 3.590 3.590 3.597 -0.007 18887 5373 1 9 . 1 1 95 95 VAL C C 95 176.620 176.620 178.003 -1.383 18887 5374 1 9 . 1 1 95 95 VAL CA C 95 67.220 67.220 66.497 0.723 18887 5375 1 9 . 1 1 95 95 VAL CB C 95 32.880 32.880 31.740 1.140 18887 5376 1 9 . 1 1 95 95 VAL H H 95 7.150 7.150 7.584 -0.434 18887 5377 1 9 . 1 1 96 96 ILE N N 96 119.120 119.120 119.960 -0.840 18887 5378 1 9 . 1 1 96 96 ILE HA H 96 3.380 3.380 3.520 -0.140 18887 5379 1 9 . 1 1 96 96 ILE C C 96 177.750 177.750 177.957 -0.207 18887 5380 1 9 . 1 1 96 96 ILE CA C 96 67.190 67.190 65.559 1.631 18887 5381 1 9 . 1 1 96 96 ILE CB C 96 38.440 38.440 37.448 0.992 18887 5382 1 9 . 1 1 96 96 ILE H H 96 8.380 8.380 8.124 0.256 18887 5383 1 9 . 1 1 97 97 ASN N N 97 117.000 117.000 118.419 -1.419 18887 5384 1 9 . 1 1 97 97 ASN HA H 97 4.420 4.420 4.372 0.048 18887 5385 1 9 . 1 1 97 97 ASN C C 97 178.380 178.380 177.626 0.754 18887 5386 1 9 . 1 1 97 97 ASN CA C 97 57.430 57.430 56.904 0.526 18887 5387 1 9 . 1 1 97 97 ASN CB C 97 39.030 39.030 38.477 0.553 18887 5388 1 9 . 1 1 97 97 ASN H H 97 8.730 8.730 8.154 0.576 18887 5389 1 9 . 1 1 98 98 ALA N N 98 123.790 123.790 122.558 1.232 18887 5390 1 9 . 1 1 98 98 ALA HA H 98 4.100 4.100 4.074 0.026 18887 5391 1 9 . 1 1 98 98 ALA C C 98 169.600 169.600 179.212 -9.612 18887 5392 1 9 . 1 1 98 98 ALA CA C 98 55.890 55.890 54.981 0.909 18887 5393 1 9 . 1 1 98 98 ALA CB C 98 18.850 18.850 18.221 0.629 18887 5394 1 9 . 1 1 98 98 ALA H H 98 7.950 7.950 8.327 -0.377 18887 5395 1 9 . 1 1 99 99 ALA N N 99 122.120 122.120 120.594 1.526 18887 5396 1 9 . 1 1 99 99 ALA HA H 99 3.930 3.930 4.027 -0.097 18887 5397 1 9 . 1 1 99 99 ALA C C 99 178.700 178.700 180.049 -1.349 18887 5398 1 9 . 1 1 99 99 ALA CA C 99 55.920 55.920 54.403 1.517 18887 5399 1 9 . 1 1 99 99 ALA CB C 99 18.960 18.960 18.595 0.365 18887 5400 1 9 . 1 1 99 99 ALA H H 99 7.930 7.930 7.402 0.528 18887 5401 1 9 . 1 1 100 100 LEU N N 100 115.870 115.870 119.587 -3.717 18887 5402 1 9 . 1 1 100 100 LEU HA H 100 3.900 3.900 3.975 -0.075 18887 5403 1 9 . 1 1 100 100 LEU C C 100 169.150 169.150 178.627 -9.477 18887 5404 1 9 . 1 1 100 100 LEU CA C 100 58.140 58.140 57.396 0.744 18887 5405 1 9 . 1 1 100 100 LEU CB C 100 41.730 41.730 41.572 0.158 18887 5406 1 9 . 1 1 100 100 LEU H H 100 8.220 8.220 7.878 0.342 18887 5407 1 9 . 1 1 101 101 ALA N N 101 120.410 120.410 120.832 -0.422 18887 5408 1 9 . 1 1 101 101 ALA HA H 101 4.100 4.100 4.199 -0.100 18887 5409 1 9 . 1 1 101 101 ALA C C 101 169.730 169.730 179.521 -9.791 18887 5410 1 9 . 1 1 101 101 ALA CA C 101 55.680 55.680 54.699 0.981 18887 5411 1 9 . 1 1 101 101 ALA CB C 101 18.860 18.860 18.195 0.665 18887 5412 1 9 . 1 1 101 101 ALA H H 101 7.970 7.970 8.129 -0.159 18887 5413 1 9 . 1 1 102 102 LEU N N 102 115.090 115.090 118.030 -2.940 18887 5414 1 9 . 1 1 102 102 LEU HA H 102 4.120 4.120 4.130 -0.010 18887 5415 1 9 . 1 1 102 102 LEU C C 102 169.060 169.060 177.811 -8.751 18887 5416 1 9 . 1 1 102 102 LEU CA C 102 57.870 57.870 57.124 0.746 18887 5417 1 9 . 1 1 102 102 LEU CB C 102 43.730 43.730 42.204 1.526 18887 5418 1 9 . 1 1 102 102 LEU H H 102 7.330 7.330 7.629 -0.299 18887 5419 1 9 . 1 1 103 103 ILE N N 103 110.170 110.170 114.856 -4.686 18887 5420 1 9 . 1 1 103 103 ILE HA H 103 4.430 4.430 4.193 0.237 18887 5421 1 9 . 1 1 103 103 ILE C C 103 176.670 176.670 177.161 -0.491 18887 5422 1 9 . 1 1 103 103 ILE CA C 103 62.520 62.520 62.994 -0.474 18887 5423 1 9 . 1 1 103 103 ILE CB C 103 40.020 40.020 39.108 0.912 18887 5424 1 9 . 1 1 103 103 ILE H H 103 7.140 7.140 7.467 -0.327 18887 5425 1 9 . 1 1 104 104 ASP N N 104 122.560 122.560 119.268 3.292 18887 5426 1 9 . 1 1 104 104 ASP HA H 104 4.650 4.650 4.723 -0.073 18887 5427 1 9 . 1 1 104 104 ASP C C 104 176.670 176.670 175.880 0.790 18887 5428 1 9 . 1 1 104 104 ASP CA C 104 56.220 56.220 53.585 2.635 18887 5429 1 9 . 1 1 104 104 ASP CB C 104 42.080 42.080 42.988 -0.908 18887 5430 1 9 . 1 1 104 104 ASP H H 104 8.000 8.000 8.140 -0.140 18887 5431 1 9 . 1 1 105 105 GLU N N 105 120.750 120.750 116.681 4.069 18887 5432 1 9 . 1 1 105 105 GLU HA H 105 4.300 4.300 4.035 0.265 18887 5433 1 9 . 1 1 105 105 GLU C C 105 175.470 175.470 175.590 -0.120 18887 5434 1 9 . 1 1 105 105 GLU CA C 105 57.640 57.640 57.522 0.118 18887 5435 1 9 . 1 1 105 105 GLU CB C 105 30.870 30.870 27.145 3.725 18887 5436 1 9 . 1 1 105 105 GLU H H 105 8.030 8.030 7.956 0.074 18887 5437 1 10 . 1 1 2 2 LYS N N 2 120.950 120.950 122.500 -1.550 18887 5438 1 10 . 1 1 2 2 LYS HA H 2 4.330 4.330 4.372 -0.042 18887 5439 1 10 . 1 1 2 2 LYS C C 2 176.040 176.040 175.984 0.056 18887 5440 1 10 . 1 1 2 2 LYS CA C 2 57.850 57.850 56.137 1.713 18887 5441 1 10 . 1 1 2 2 LYS CB C 2 33.480 33.480 31.825 1.655 18887 5442 1 10 . 1 1 2 2 LYS H H 2 8.220 8.220 8.053 0.167 18887 5443 1 10 . 1 1 3 3 ARG N N 3 120.340 120.340 125.540 -5.200 18887 5444 1 10 . 1 1 3 3 ARG HA H 3 4.660 4.660 4.248 0.412 18887 5445 1 10 . 1 1 3 3 ARG C C 3 175.960 175.960 176.105 -0.145 18887 5446 1 10 . 1 1 3 3 ARG CA C 3 53.810 53.810 55.466 -1.656 18887 5447 1 10 . 1 1 3 3 ARG CB C 3 29.710 29.710 31.870 -2.160 18887 5448 1 10 . 1 1 3 3 ARG H H 3 8.220 8.220 9.005 -0.785 18887 5449 1 10 . 1 1 4 4 LYS N N 4 121.540 121.540 124.284 -2.744 18887 5450 1 10 . 1 1 4 4 LYS HA H 4 4.770 4.770 4.802 -0.032 18887 5451 1 10 . 1 1 4 4 LYS C C 4 174.820 174.820 176.139 -1.319 18887 5452 1 10 . 1 1 4 4 LYS CA C 4 57.230 57.230 54.946 2.284 18887 5453 1 10 . 1 1 4 4 LYS CB C 4 33.800 33.800 32.149 1.651 18887 5454 1 10 . 1 1 4 4 LYS H H 4 8.880 8.880 8.110 0.770 18887 5455 1 10 . 1 1 5 5 ILE N N 5 125.030 125.030 126.560 -1.530 18887 5456 1 10 . 1 1 5 5 ILE HA H 5 4.530 4.530 4.885 -0.355 18887 5457 1 10 . 1 1 5 5 ILE C C 5 175.420 175.420 174.455 0.965 18887 5458 1 10 . 1 1 5 5 ILE CA C 5 61.120 61.120 60.090 1.030 18887 5459 1 10 . 1 1 5 5 ILE CB C 5 41.880 41.880 41.129 0.751 18887 5460 1 10 . 1 1 5 5 ILE H H 5 8.760 8.760 9.048 -0.288 18887 5461 1 10 . 1 1 6 6 ILE N N 6 119.270 119.270 123.197 -3.927 18887 5462 1 10 . 1 1 6 6 ILE HA H 6 5.440 5.440 5.005 0.435 18887 5463 1 10 . 1 1 6 6 ILE C C 6 173.880 173.880 173.783 0.097 18887 5464 1 10 . 1 1 6 6 ILE CA C 6 60.480 60.480 58.191 2.289 18887 5465 1 10 . 1 1 6 6 ILE CB C 6 42.120 42.120 38.193 3.927 18887 5466 1 10 . 1 1 6 6 ILE H H 6 8.110 8.110 8.458 -0.348 18887 5467 1 10 . 1 1 7 7 ALA N N 7 122.330 122.330 129.881 -7.551 18887 5468 1 10 . 1 1 7 7 ALA HA H 7 5.780 5.780 5.310 0.470 18887 5469 1 10 . 1 1 7 7 ALA C C 7 173.950 173.950 175.379 -1.429 18887 5470 1 10 . 1 1 7 7 ALA CA C 7 51.280 51.280 50.139 1.141 18887 5471 1 10 . 1 1 7 7 ALA CB C 7 25.930 25.930 23.101 2.829 18887 5472 1 10 . 1 1 7 7 ALA H H 7 8.790 8.790 9.123 -0.333 18887 5473 1 10 . 1 1 8 8 VAL N N 8 119.860 119.860 124.304 -4.444 18887 5474 1 10 . 1 1 8 8 VAL HA H 8 5.190 5.190 4.705 0.485 18887 5475 1 10 . 1 1 8 8 VAL C C 8 175.590 175.590 175.430 0.160 18887 5476 1 10 . 1 1 8 8 VAL CA C 8 61.340 61.340 61.588 -0.248 18887 5477 1 10 . 1 1 8 8 VAL CB C 8 36.650 36.650 34.678 1.972 18887 5478 1 10 . 1 1 8 8 VAL H H 8 8.950 8.950 8.505 0.445 18887 5479 1 10 . 1 1 9 9 THR N N 9 116.320 116.320 119.663 -3.343 18887 5480 1 10 . 1 1 9 9 THR HA H 9 5.500 5.500 5.497 0.003 18887 5481 1 10 . 1 1 9 9 THR C C 9 172.920 172.920 173.683 -0.763 18887 5482 1 10 . 1 1 9 9 THR CA C 9 59.470 59.470 59.573 -0.103 18887 5483 1 10 . 1 1 9 9 THR CB C 9 71.510 71.510 69.890 1.620 18887 5484 1 10 . 1 1 9 9 THR H H 9 8.860 8.860 9.047 -0.187 18887 5485 1 10 . 1 1 10 10 ALA N N 10 121.780 121.780 128.161 -6.381 18887 5486 1 10 . 1 1 10 10 ALA HA H 10 4.800 4.800 5.793 -0.993 18887 5487 1 10 . 1 1 10 10 ALA C C 10 174.680 174.680 175.739 -1.059 18887 5488 1 10 . 1 1 10 10 ALA CA C 10 54.300 54.300 49.790 4.510 18887 5489 1 10 . 1 1 10 10 ALA CB C 10 22.940 22.940 23.265 -0.325 18887 5490 1 10 . 1 1 10 10 ALA H H 10 7.710 7.710 8.763 -1.053 18887 5491 1 10 . 1 1 11 11 CYS N N 11 121.780 121.780 117.140 4.640 18887 5492 1 10 . 1 1 11 11 CYS HA H 11 5.160 5.160 4.706 0.454 18887 5493 1 10 . 1 1 11 11 CYS C C 11 174.700 174.700 172.724 1.976 18887 5494 1 10 . 1 1 11 11 CYS CA C 11 57.150 57.150 57.894 -0.744 18887 5495 1 10 . 1 1 11 11 CYS CB C 11 30.830 30.830 31.368 -0.538 18887 5496 1 10 . 1 1 11 11 CYS H H 11 8.140 8.140 8.253 -0.113 18887 5497 1 10 . 1 1 12 12 ALA N N 12 113.900 113.900 127.385 -13.485 18887 5498 1 10 . 1 1 12 12 ALA HA H 12 4.220 4.220 4.655 -0.435 18887 5499 1 10 . 1 1 12 12 ALA C C 12 168.950 168.950 177.777 -8.827 18887 5500 1 10 . 1 1 12 12 ALA CA C 12 55.270 55.270 52.978 2.292 18887 5501 1 10 . 1 1 12 12 ALA CB C 12 20.320 20.320 20.582 -0.262 18887 5502 1 10 . 1 1 12 12 ALA H H 12 10.630 10.630 9.038 1.592 18887 5503 1 10 . 1 1 13 13 THR N N 13 109.490 109.490 114.108 -4.618 18887 5504 1 10 . 1 1 13 13 THR HA H 13 4.390 4.390 4.485 -0.095 18887 5505 1 10 . 1 1 13 13 THR C C 13 174.870 174.870 176.213 -1.343 18887 5506 1 10 . 1 1 13 13 THR CA C 13 62.910 62.910 62.502 0.408 18887 5507 1 10 . 1 1 13 13 THR CB C 13 70.640 70.640 69.487 1.153 18887 5508 1 10 . 1 1 13 13 THR H H 13 8.180 8.180 8.033 0.147 18887 5509 1 10 . 1 1 14 14 GLY N N 14 111.450 111.450 110.887 0.563 18887 5510 1 10 . 1 1 14 14 GLY C C 14 173.680 173.680 175.597 -1.917 18887 5511 1 10 . 1 1 14 14 GLY CA C 14 47.050 47.050 44.535 2.515 18887 5512 1 10 . 1 1 14 14 GLY H H 14 7.880 7.880 8.266 -0.386 18887 5513 1 10 . 1 1 15 15 VAL N N 15 119.530 119.530 128.605 -9.075 18887 5514 1 10 . 1 1 15 15 VAL HA H 15 4.110 4.110 3.663 0.447 18887 5515 1 10 . 1 1 15 15 VAL C C 15 176.860 176.860 177.829 -0.969 18887 5516 1 10 . 1 1 15 15 VAL CA C 15 64.740 64.740 65.665 -0.925 18887 5517 1 10 . 1 1 15 15 VAL CB C 15 33.690 33.690 31.973 1.717 18887 5518 1 10 . 1 1 15 15 VAL H H 15 8.250 8.250 8.862 -0.612 18887 5519 1 10 . 1 1 16 16 ALA N N 16 123.230 123.230 121.543 1.687 18887 5520 1 10 . 1 1 16 16 ALA HA H 16 4.230 4.230 4.215 0.015 18887 5521 1 10 . 1 1 16 16 ALA C C 16 170.610 170.610 179.423 -8.813 18887 5522 1 10 . 1 1 16 16 ALA CA C 16 56.280 56.280 54.778 1.502 18887 5523 1 10 . 1 1 16 16 ALA CB C 16 19.320 19.320 17.752 1.568 18887 5524 1 10 . 1 1 16 16 ALA H H 16 8.430 8.430 8.533 -0.103 18887 5525 1 10 . 1 1 17 17 HIS HA H 17 4.380 4.380 4.402 -0.022 18887 5526 1 10 . 1 1 17 17 HIS C C 17 177.260 177.260 177.801 -0.541 18887 5527 1 10 . 1 1 17 17 HIS CA C 17 60.060 60.060 59.667 0.393 18887 5528 1 10 . 1 1 17 17 HIS CB C 17 31.990 31.990 29.750 2.240 18887 5529 1 10 . 1 1 18 18 THR N N 18 115.830 115.830 114.180 1.650 18887 5530 1 10 . 1 1 18 18 THR HA H 18 3.540 3.540 3.985 -0.445 18887 5531 1 10 . 1 1 18 18 THR C C 18 176.690 176.690 176.332 0.358 18887 5532 1 10 . 1 1 18 18 THR CA C 18 67.700 67.700 66.919 0.780 18887 5533 1 10 . 1 1 18 18 THR CB C 18 69.550 69.550 68.837 0.713 18887 5534 1 10 . 1 1 18 18 THR H H 18 7.590 7.590 8.103 -0.513 18887 5535 1 10 . 1 1 19 19 TYR N N 19 121.050 121.050 121.116 -0.066 18887 5536 1 10 . 1 1 19 19 TYR HA H 19 4.340 4.340 4.268 0.072 18887 5537 1 10 . 1 1 19 19 TYR C C 19 178.420 178.420 178.005 0.415 18887 5538 1 10 . 1 1 19 19 TYR CA C 19 61.220 61.220 61.805 -0.585 18887 5539 1 10 . 1 1 19 19 TYR CB C 19 38.400 38.400 37.701 0.699 18887 5540 1 10 . 1 1 19 19 TYR H H 19 7.710 7.710 7.760 -0.050 18887 5541 1 10 . 1 1 20 20 MET N N 20 120.220 120.220 119.219 1.001 18887 5542 1 10 . 1 1 20 20 MET HA H 20 4.160 4.160 3.953 0.207 18887 5543 1 10 . 1 1 20 20 MET C C 20 169.550 169.550 178.079 -8.529 18887 5544 1 10 . 1 1 20 20 MET CA C 20 60.050 60.050 59.040 1.010 18887 5545 1 10 . 1 1 20 20 MET CB C 20 34.410 34.410 32.611 1.799 18887 5546 1 10 . 1 1 20 20 MET H H 20 8.470 8.470 8.034 0.436 18887 5547 1 10 . 1 1 21 21 ALA N N 21 122.280 122.280 121.759 0.521 18887 5548 1 10 . 1 1 21 21 ALA HA H 21 3.870 3.870 4.001 -0.131 18887 5549 1 10 . 1 1 21 21 ALA C C 21 178.630 178.630 179.257 -0.627 18887 5550 1 10 . 1 1 21 21 ALA CA C 21 56.760 56.760 55.239 1.521 18887 5551 1 10 . 1 1 21 21 ALA CB C 21 19.690 19.690 18.245 1.445 18887 5552 1 10 . 1 1 21 21 ALA H H 21 8.490 8.490 8.363 0.127 18887 5553 1 10 . 1 1 22 22 ALA N N 22 120.240 120.240 120.948 -0.708 18887 5554 1 10 . 1 1 22 22 ALA HA H 22 3.900 3.900 3.932 -0.032 18887 5555 1 10 . 1 1 22 22 ALA C C 22 169.200 169.200 179.996 -10.796 18887 5556 1 10 . 1 1 22 22 ALA CA C 22 56.880 56.880 55.173 1.707 18887 5557 1 10 . 1 1 22 22 ALA CB C 22 19.560 19.560 18.111 1.449 18887 5558 1 10 . 1 1 22 22 ALA H H 22 7.660 7.660 8.482 -0.822 18887 5559 1 10 . 1 1 23 23 GLN N N 23 116.680 116.680 118.864 -2.184 18887 5560 1 10 . 1 1 23 23 GLN HA H 23 3.940 3.940 3.981 -0.041 18887 5561 1 10 . 1 1 23 23 GLN C C 23 178.500 178.500 178.686 -0.186 18887 5562 1 10 . 1 1 23 23 GLN CA C 23 59.550 59.550 58.900 0.650 18887 5563 1 10 . 1 1 23 23 GLN CB C 23 29.660 29.660 28.809 0.851 18887 5564 1 10 . 1 1 23 23 GLN H H 23 8.430 8.430 8.586 -0.156 18887 5565 1 10 . 1 1 24 24 ALA N N 24 121.760 121.760 122.346 -0.586 18887 5566 1 10 . 1 1 24 24 ALA HA H 24 4.140 4.140 4.078 0.062 18887 5567 1 10 . 1 1 24 24 ALA C C 24 171.490 171.490 179.446 -7.956 18887 5568 1 10 . 1 1 24 24 ALA CA C 24 56.060 56.060 55.056 1.004 18887 5569 1 10 . 1 1 24 24 ALA CB C 24 19.760 19.760 18.645 1.115 18887 5570 1 10 . 1 1 24 24 ALA H H 24 8.130 8.130 8.217 -0.087 18887 5571 1 10 . 1 1 25 25 LEU N N 25 118.730 118.730 120.913 -2.183 18887 5572 1 10 . 1 1 25 25 LEU HA H 25 3.850 3.850 4.081 -0.231 18887 5573 1 10 . 1 1 25 25 LEU C C 25 177.990 177.990 178.474 -0.484 18887 5574 1 10 . 1 1 25 25 LEU CA C 25 59.280 59.280 57.668 1.612 18887 5575 1 10 . 1 1 25 25 LEU CB C 25 43.190 43.190 41.789 1.401 18887 5576 1 10 . 1 1 25 25 LEU H H 25 8.030 8.030 8.397 -0.367 18887 5577 1 10 . 1 1 26 26 LYS N N 26 118.850 118.850 118.712 0.138 18887 5578 1 10 . 1 1 26 26 LYS HA H 26 3.840 3.840 3.898 -0.058 18887 5579 1 10 . 1 1 26 26 LYS C C 26 169.460 169.460 178.619 -9.159 18887 5580 1 10 . 1 1 26 26 LYS CA C 26 61.420 61.420 59.634 1.786 18887 5581 1 10 . 1 1 26 26 LYS CB C 26 33.440 33.440 32.279 1.161 18887 5582 1 10 . 1 1 26 26 LYS H H 26 8.000 8.000 8.295 -0.295 18887 5583 1 10 . 1 1 27 27 LYS N N 27 120.350 120.350 119.728 0.622 18887 5584 1 10 . 1 1 27 27 LYS HA H 27 3.990 3.990 4.031 -0.041 18887 5585 1 10 . 1 1 27 27 LYS C C 27 169.670 169.670 178.973 -9.303 18887 5586 1 10 . 1 1 27 27 LYS CA C 27 60.700 60.700 59.209 1.491 18887 5587 1 10 . 1 1 27 27 LYS CB C 27 33.620 33.620 31.899 1.721 18887 5588 1 10 . 1 1 27 27 LYS H H 27 8.350 8.350 7.956 0.394 18887 5589 1 10 . 1 1 28 28 GLY N N 28 125.170 125.170 105.913 19.257 18887 5590 1 10 . 1 1 28 28 GLY C C 28 174.520 174.520 175.732 -1.212 18887 5591 1 10 . 1 1 28 28 GLY CA C 28 47.870 47.870 46.787 1.083 18887 5592 1 10 . 1 1 28 28 GLY H H 28 8.410 8.410 7.797 0.613 18887 5593 1 10 . 1 1 29 29 ALA N N 29 122.370 122.370 124.549 -2.179 18887 5594 1 10 . 1 1 29 29 ALA HA H 29 3.820 3.820 4.055 -0.235 18887 5595 1 10 . 1 1 29 29 ALA C C 29 169.050 169.050 179.264 -10.214 18887 5596 1 10 . 1 1 29 29 ALA CA C 29 56.840 56.840 55.034 1.806 18887 5597 1 10 . 1 1 29 29 ALA CB C 29 18.800 18.800 18.249 0.551 18887 5598 1 10 . 1 1 29 29 ALA H H 29 8.280 8.280 7.685 0.595 18887 5599 1 10 . 1 1 30 30 LYS N N 30 117.490 117.490 118.901 -1.411 18887 5600 1 10 . 1 1 30 30 LYS HA H 30 4.130 4.130 4.047 0.083 18887 5601 1 10 . 1 1 30 30 LYS C C 30 170.330 170.330 178.735 -8.405 18887 5602 1 10 . 1 1 30 30 LYS CA C 30 60.420 60.420 58.851 1.569 18887 5603 1 10 . 1 1 30 30 LYS CB C 30 33.230 33.230 32.449 0.781 18887 5604 1 10 . 1 1 30 30 LYS H H 30 7.720 7.720 8.093 -0.373 18887 5605 1 10 . 1 1 31 31 LYS N N 31 121.050 121.050 119.451 1.599 18887 5606 1 10 . 1 1 31 31 LYS HA H 31 4.020 4.020 4.085 -0.065 18887 5607 1 10 . 1 1 31 31 LYS C C 31 178.160 178.160 178.368 -0.208 18887 5608 1 10 . 1 1 31 31 LYS CA C 31 60.360 60.360 58.834 1.526 18887 5609 1 10 . 1 1 31 31 LYS CB C 31 33.380 33.380 32.503 0.877 18887 5610 1 10 . 1 1 31 31 LYS H H 31 7.930 7.930 7.920 0.010 18887 5611 1 10 . 1 1 32 32 MET N N 32 114.620 114.620 115.578 -0.958 18887 5612 1 10 . 1 1 32 32 MET HA H 32 4.240 4.240 4.546 -0.306 18887 5613 1 10 . 1 1 32 32 MET C C 32 175.810 175.810 176.759 -0.949 18887 5614 1 10 . 1 1 32 32 MET CA C 32 57.400 57.400 55.973 1.427 18887 5615 1 10 . 1 1 32 32 MET CB C 32 37.710 37.710 34.202 3.508 18887 5616 1 10 . 1 1 32 32 MET H H 32 7.420 7.420 7.771 -0.351 18887 5617 1 10 . 1 1 33 33 GLY N N 33 124.900 124.900 109.150 15.750 18887 5618 1 10 . 1 1 33 33 GLY C C 33 174.340 174.340 173.240 1.100 18887 5619 1 10 . 1 1 33 33 GLY CA C 33 46.830 46.830 44.945 1.885 18887 5620 1 10 . 1 1 33 33 GLY H H 33 7.860 7.860 8.091 -0.231 18887 5621 1 10 . 1 1 34 34 ASN N N 34 116.070 116.070 117.869 -1.799 18887 5622 1 10 . 1 1 34 34 ASN HA H 34 5.210 5.210 5.444 -0.234 18887 5623 1 10 . 1 1 34 34 ASN C C 34 173.080 173.080 174.405 -1.325 18887 5624 1 10 . 1 1 34 34 ASN CA C 34 52.770 52.770 52.162 0.608 18887 5625 1 10 . 1 1 34 34 ASN CB C 34 42.880 42.880 42.263 0.617 18887 5626 1 10 . 1 1 34 34 ASN H H 34 8.160 8.160 8.383 -0.223 18887 5627 1 10 . 1 1 35 35 LEU N N 35 121.450 121.450 121.833 -0.383 18887 5628 1 10 . 1 1 35 35 LEU HA H 35 4.620 4.620 4.707 -0.087 18887 5629 1 10 . 1 1 35 35 LEU C C 35 174.930 174.930 175.011 -0.081 18887 5630 1 10 . 1 1 35 35 LEU CA C 35 55.150 55.150 53.948 1.202 18887 5631 1 10 . 1 1 35 35 LEU CB C 35 44.760 44.760 43.617 1.143 18887 5632 1 10 . 1 1 35 35 LEU H H 35 8.770 8.770 8.537 0.233 18887 5633 1 10 . 1 1 36 36 ILE N N 36 119.690 119.690 123.886 -4.196 18887 5634 1 10 . 1 1 36 36 ILE HA H 36 5.660 5.660 4.925 0.735 18887 5635 1 10 . 1 1 36 36 ILE C C 36 172.620 172.620 174.659 -2.039 18887 5636 1 10 . 1 1 36 36 ILE CA C 36 59.410 59.410 59.263 0.147 18887 5637 1 10 . 1 1 36 36 ILE CB C 36 44.340 44.340 41.408 2.932 18887 5638 1 10 . 1 1 36 36 ILE H H 36 8.390 8.390 8.579 -0.189 18887 5639 1 10 . 1 1 37 37 LYS N N 37 126.230 126.230 129.345 -3.115 18887 5640 1 10 . 1 1 37 37 LYS HA H 37 4.590 4.590 4.642 -0.052 18887 5641 1 10 . 1 1 37 37 LYS C C 37 174.340 174.340 174.507 -0.167 18887 5642 1 10 . 1 1 37 37 LYS CA C 37 57.050 57.050 53.945 3.105 18887 5643 1 10 . 1 1 37 37 LYS CB C 37 36.860 36.860 32.622 4.238 18887 5644 1 10 . 1 1 37 37 LYS H H 37 7.210 7.210 8.885 -1.675 18887 5645 1 10 . 1 1 38 38 VAL N N 38 124.270 124.270 125.456 -1.186 18887 5646 1 10 . 1 1 38 38 VAL HA H 38 4.920 4.920 4.937 -0.017 18887 5647 1 10 . 1 1 38 38 VAL C C 38 174.660 174.660 176.138 -1.478 18887 5648 1 10 . 1 1 38 38 VAL CA C 38 61.420 61.420 60.585 0.835 18887 5649 1 10 . 1 1 38 38 VAL CB C 38 35.020 35.020 32.064 2.956 18887 5650 1 10 . 1 1 38 38 VAL H H 38 8.760 8.760 8.647 0.113 18887 5651 1 10 . 1 1 39 39 GLU N N 39 114.800 114.800 128.180 -13.380 18887 5652 1 10 . 1 1 39 39 GLU HA H 39 5.020 5.020 4.514 0.506 18887 5653 1 10 . 1 1 39 39 GLU C C 39 175.680 175.680 175.291 0.389 18887 5654 1 10 . 1 1 39 39 GLU CA C 39 55.680 55.680 54.621 1.059 18887 5655 1 10 . 1 1 39 39 GLU CB C 39 33.940 33.940 32.549 1.391 18887 5656 1 10 . 1 1 39 39 GLU H H 39 9.210 9.210 9.203 0.007 18887 5657 1 10 . 1 1 40 40 THR N N 40 115.120 115.120 121.785 -6.665 18887 5658 1 10 . 1 1 40 40 THR HA H 40 5.180 5.180 4.464 0.716 18887 5659 1 10 . 1 1 40 40 THR C C 40 174.200 174.200 173.391 0.809 18887 5660 1 10 . 1 1 40 40 THR CA C 40 59.710 59.710 62.385 -2.675 18887 5661 1 10 . 1 1 40 40 THR CB C 40 71.270 71.270 68.386 2.884 18887 5662 1 10 . 1 1 40 40 THR H H 40 8.500 8.500 8.605 -0.105 18887 5663 1 10 . 1 1 41 41 GLN N N 41 119.850 119.850 128.465 -8.615 18887 5664 1 10 . 1 1 41 41 GLN HA H 41 4.990 4.990 4.967 0.023 18887 5665 1 10 . 1 1 41 41 GLN C C 41 175.110 175.110 176.742 -1.632 18887 5666 1 10 . 1 1 41 41 GLN CA C 41 54.980 54.980 53.930 1.050 18887 5667 1 10 . 1 1 41 41 GLN CB C 41 29.780 29.780 29.414 0.366 18887 5668 1 10 . 1 1 41 41 GLN H H 41 8.470 8.470 8.665 -0.195 18887 5669 1 10 . 1 1 42 42 GLY N N 42 109.530 109.530 113.844 -4.314 18887 5670 1 10 . 1 1 42 42 GLY C C 42 174.750 174.750 173.356 1.394 18887 5671 1 10 . 1 1 42 42 GLY CA C 42 45.630 45.630 47.091 -1.461 18887 5672 1 10 . 1 1 42 42 GLY H H 42 7.890 7.890 8.175 -0.285 18887 5673 1 10 . 1 1 43 43 ALA N N 43 123.850 123.850 122.359 1.491 18887 5674 1 10 . 1 1 43 43 ALA HA H 43 4.170 4.170 5.116 -0.946 18887 5675 1 10 . 1 1 43 43 ALA C C 43 169.490 169.490 176.886 -7.396 18887 5676 1 10 . 1 1 43 43 ALA CA C 43 56.170 56.170 50.584 5.586 18887 5677 1 10 . 1 1 43 43 ALA CB C 43 19.910 19.910 18.550 1.360 18887 5678 1 10 . 1 1 43 43 ALA H H 43 8.730 8.730 7.851 0.879 18887 5679 1 10 . 1 1 44 44 THR N N 44 122.380 122.380 111.711 10.669 18887 5680 1 10 . 1 1 44 44 THR HA H 44 4.390 4.390 3.843 0.547 18887 5681 1 10 . 1 1 44 44 THR C C 44 174.260 174.260 173.486 0.774 18887 5682 1 10 . 1 1 44 44 THR CA C 44 62.190 62.190 62.963 -0.773 18887 5683 1 10 . 1 1 44 44 THR CB C 44 70.080 70.080 68.064 2.016 18887 5684 1 10 . 1 1 44 44 THR H H 44 7.950 7.950 8.333 -0.383 18887 5685 1 10 . 1 1 45 45 GLY N N 45 109.360 109.360 106.223 3.137 18887 5686 1 10 . 1 1 45 45 GLY C C 45 172.380 172.380 172.291 0.089 18887 5687 1 10 . 1 1 45 45 GLY CA C 45 45.510 45.510 43.339 2.171 18887 5688 1 10 . 1 1 45 45 GLY H H 45 7.560 7.560 7.880 -0.320 18887 5689 1 10 . 1 1 46 46 ILE N N 46 122.050 122.050 120.364 1.686 18887 5690 1 10 . 1 1 46 46 ILE HA H 46 4.780 4.780 4.247 0.533 18887 5691 1 10 . 1 1 46 46 ILE C C 46 176.010 176.010 175.578 0.432 18887 5692 1 10 . 1 1 46 46 ILE CA C 46 61.950 61.950 60.084 1.866 18887 5693 1 10 . 1 1 46 46 ILE CB C 46 40.810 40.810 38.796 2.014 18887 5694 1 10 . 1 1 46 46 ILE H H 46 8.480 8.480 8.502 -0.022 18887 5695 1 10 . 1 1 47 47 GLU N N 47 109.160 109.160 129.204 -20.044 18887 5696 1 10 . 1 1 47 47 GLU HA H 47 4.660 4.660 4.318 0.342 18887 5697 1 10 . 1 1 47 47 GLU C C 47 174.750 174.750 176.892 -2.142 18887 5698 1 10 . 1 1 47 47 GLU CA C 47 55.940 55.940 56.858 -0.918 18887 5699 1 10 . 1 1 47 47 GLU CB C 47 33.640 33.640 30.796 2.844 18887 5700 1 10 . 1 1 47 47 GLU H H 47 9.000 9.000 8.525 0.475 18887 5701 1 10 . 1 1 48 48 ASN N N 48 120.510 120.510 118.431 2.079 18887 5702 1 10 . 1 1 48 48 ASN HA H 48 4.230 4.230 4.544 -0.314 18887 5703 1 10 . 1 1 48 48 ASN C C 48 173.090 173.090 174.369 -1.279 18887 5704 1 10 . 1 1 48 48 ASN CA C 48 54.770 54.770 54.054 0.716 18887 5705 1 10 . 1 1 48 48 ASN CB C 48 38.800 38.800 39.134 -0.334 18887 5706 1 10 . 1 1 48 48 ASN H H 48 8.930 8.930 8.272 0.658 18887 5707 1 10 . 1 1 49 49 GLU N N 49 114.160 114.160 117.115 -2.955 18887 5708 1 10 . 1 1 49 49 GLU HA H 49 3.890 3.890 4.232 -0.342 18887 5709 1 10 . 1 1 49 49 GLU C C 49 177.780 177.780 174.936 2.844 18887 5710 1 10 . 1 1 49 49 GLU CA C 49 57.870 57.870 56.881 0.989 18887 5711 1 10 . 1 1 49 49 GLU CB C 49 31.900 31.900 29.393 2.507 18887 5712 1 10 . 1 1 49 49 GLU H H 49 7.690 7.690 8.129 -0.439 18887 5713 1 10 . 1 1 50 50 LEU N N 50 109.440 109.440 127.908 -18.468 18887 5714 1 10 . 1 1 50 50 LEU HA H 50 4.680 4.680 4.626 0.054 18887 5715 1 10 . 1 1 50 50 LEU C C 50 177.490 177.490 177.266 0.224 18887 5716 1 10 . 1 1 50 50 LEU CA C 50 55.520 55.520 53.875 1.645 18887 5717 1 10 . 1 1 50 50 LEU CB C 50 43.440 43.440 42.261 1.179 18887 5718 1 10 . 1 1 50 50 LEU H H 50 9.560 9.560 8.421 1.139 18887 5719 1 10 . 1 1 51 51 THR N N 51 117.490 117.490 115.870 1.620 18887 5720 1 10 . 1 1 51 51 THR HA H 51 4.420 4.420 4.399 0.021 18887 5721 1 10 . 1 1 51 51 THR C C 51 175.010 175.010 175.576 -0.566 18887 5722 1 10 . 1 1 51 51 THR CA C 51 61.230 61.230 60.808 0.422 18887 5723 1 10 . 1 1 51 51 THR CB C 51 72.860 72.860 70.564 2.296 18887 5724 1 10 . 1 1 51 51 THR H H 51 9.380 9.380 9.021 0.359 18887 5725 1 10 . 1 1 52 52 GLU N N 52 120.490 120.490 121.709 -1.219 18887 5726 1 10 . 1 1 52 52 GLU HA H 52 3.860 3.860 3.955 -0.095 18887 5727 1 10 . 1 1 52 52 GLU C C 52 178.660 178.660 178.556 0.104 18887 5728 1 10 . 1 1 52 52 GLU CA C 52 61.130 61.130 60.008 1.122 18887 5729 1 10 . 1 1 52 52 GLU CB C 52 30.280 30.280 28.253 2.027 18887 5730 1 10 . 1 1 52 52 GLU H H 52 8.910 8.910 8.971 -0.061 18887 5731 1 10 . 1 1 53 53 LYS N N 53 118.660 118.660 119.191 -0.531 18887 5732 1 10 . 1 1 53 53 LYS HA H 53 4.020 4.020 4.041 -0.021 18887 5733 1 10 . 1 1 53 53 LYS C C 53 178.190 178.190 179.140 -0.950 18887 5734 1 10 . 1 1 53 53 LYS CA C 53 60.390 60.390 58.790 1.600 18887 5735 1 10 . 1 1 53 53 LYS CB C 53 33.210 33.210 31.514 1.696 18887 5736 1 10 . 1 1 53 53 LYS H H 53 7.890 7.890 8.381 -0.491 18887 5737 1 10 . 1 1 54 54 ASP N N 54 118.400 118.400 119.969 -1.569 18887 5738 1 10 . 1 1 54 54 ASP HA H 54 4.200 4.200 4.368 -0.168 18887 5739 1 10 . 1 1 54 54 ASP C C 54 169.070 169.070 178.769 -9.699 18887 5740 1 10 . 1 1 54 54 ASP CA C 54 58.300 58.300 57.337 0.963 18887 5741 1 10 . 1 1 54 54 ASP CB C 54 43.110 43.110 40.550 2.561 18887 5742 1 10 . 1 1 54 54 ASP H H 54 7.440 7.440 7.606 -0.166 18887 5743 1 10 . 1 1 55 55 VAL N N 55 118.420 118.420 120.090 -1.670 18887 5744 1 10 . 1 1 55 55 VAL HA H 55 3.520 3.520 3.835 -0.315 18887 5745 1 10 . 1 1 55 55 VAL C C 55 176.980 176.980 177.810 -0.830 18887 5746 1 10 . 1 1 55 55 VAL CA C 55 66.950 66.950 66.520 0.430 18887 5747 1 10 . 1 1 55 55 VAL CB C 55 32.360 32.360 31.270 1.090 18887 5748 1 10 . 1 1 55 55 VAL H H 55 8.150 8.150 8.334 -0.184 18887 5749 1 10 . 1 1 56 56 ASN N N 56 117.100 117.100 115.429 1.671 18887 5750 1 10 . 1 1 56 56 ASN HA H 56 4.410 4.410 4.608 -0.198 18887 5751 1 10 . 1 1 56 56 ASN C C 56 177.330 177.330 176.989 0.341 18887 5752 1 10 . 1 1 56 56 ASN CA C 56 57.170 57.170 55.139 2.031 18887 5753 1 10 . 1 1 56 56 ASN CB C 56 39.930 39.930 39.082 0.848 18887 5754 1 10 . 1 1 56 56 ASN H H 56 8.000 8.000 7.949 0.051 18887 5755 1 10 . 1 1 57 57 ILE N N 57 115.580 115.580 118.924 -3.344 18887 5756 1 10 . 1 1 57 57 ILE HA H 57 3.950 3.950 4.059 -0.109 18887 5757 1 10 . 1 1 57 57 ILE C C 57 176.980 176.980 176.458 0.522 18887 5758 1 10 . 1 1 57 57 ILE CA C 57 63.240 63.240 63.275 -0.035 18887 5759 1 10 . 1 1 57 57 ILE CB C 57 39.890 39.890 38.839 1.051 18887 5760 1 10 . 1 1 57 57 ILE H H 57 7.600 7.600 7.782 -0.182 18887 5761 1 10 . 1 1 58 58 GLY N N 58 124.080 124.080 106.725 17.355 18887 5762 1 10 . 1 1 58 58 GLY C C 58 173.190 173.190 173.837 -0.647 18887 5763 1 10 . 1 1 58 58 GLY CA C 58 47.110 47.110 45.120 1.990 18887 5764 1 10 . 1 1 58 58 GLY H H 58 7.630 7.630 8.152 -0.522 18887 5765 1 10 . 1 1 59 59 GLU N N 59 123.240 123.240 126.204 -2.964 18887 5766 1 10 . 1 1 59 59 GLU HA H 59 4.240 4.240 4.315 -0.075 18887 5767 1 10 . 1 1 59 59 GLU C C 59 176.750 176.750 176.560 0.190 18887 5768 1 10 . 1 1 59 59 GLU CA C 59 59.830 59.830 58.493 1.337 18887 5769 1 10 . 1 1 59 59 GLU CB C 59 33.100 33.100 30.912 2.188 18887 5770 1 10 . 1 1 59 59 GLU H H 59 9.350 9.350 8.773 0.577 18887 5771 1 10 . 1 1 60 60 VAL N N 60 114.370 114.370 112.630 1.740 18887 5772 1 10 . 1 1 60 60 VAL HA H 60 4.410 4.410 4.384 0.026 18887 5773 1 10 . 1 1 60 60 VAL C C 60 170.270 170.270 174.213 -3.943 18887 5774 1 10 . 1 1 60 60 VAL CA C 60 60.710 60.710 60.719 -0.010 18887 5775 1 10 . 1 1 60 60 VAL CB C 60 35.150 35.150 33.772 1.378 18887 5776 1 10 . 1 1 60 60 VAL H H 60 7.640 7.640 7.460 0.180 18887 5777 1 10 . 1 1 61 61 VAL N N 61 125.780 125.780 123.599 2.181 18887 5778 1 10 . 1 1 61 61 VAL HA H 61 4.970 4.970 4.634 0.336 18887 5779 1 10 . 1 1 61 61 VAL C C 61 174.450 174.450 174.950 -0.500 18887 5780 1 10 . 1 1 61 61 VAL CA C 61 60.260 60.260 60.049 0.211 18887 5781 1 10 . 1 1 61 61 VAL CB C 61 34.710 34.710 32.863 1.847 18887 5782 1 10 . 1 1 61 61 VAL H H 61 8.290 8.290 8.556 -0.266 18887 5783 1 10 . 1 1 62 62 ILE N N 62 124.740 124.740 127.110 -2.370 18887 5784 1 10 . 1 1 62 62 ILE HA H 62 4.820 4.820 4.804 0.016 18887 5785 1 10 . 1 1 62 62 ILE C C 62 175.020 175.020 174.678 0.342 18887 5786 1 10 . 1 1 62 62 ILE CA C 62 60.490 60.490 59.563 0.927 18887 5787 1 10 . 1 1 62 62 ILE CB C 62 42.560 42.560 40.131 2.429 18887 5788 1 10 . 1 1 62 62 ILE H H 62 8.580 8.580 8.503 0.077 18887 5789 1 10 . 1 1 63 63 PHE N N 63 109.510 109.510 127.425 -17.915 18887 5790 1 10 . 1 1 63 63 PHE HA H 63 5.490 5.490 5.064 0.426 18887 5791 1 10 . 1 1 63 63 PHE C C 63 173.600 173.600 174.336 -0.736 18887 5792 1 10 . 1 1 63 63 PHE CA C 63 53.020 53.020 54.858 -1.838 18887 5793 1 10 . 1 1 63 63 PHE CB C 63 40.150 40.150 40.354 -0.204 18887 5794 1 10 . 1 1 63 63 PHE H H 63 9.320 9.320 8.964 0.356 18887 5795 1 10 . 1 1 64 64 ALA N N 64 112.790 112.790 129.159 -16.369 18887 5796 1 10 . 1 1 64 64 ALA HA H 64 5.430 5.430 5.250 0.180 18887 5797 1 10 . 1 1 64 64 ALA C C 64 175.040 175.040 175.803 -0.763 18887 5798 1 10 . 1 1 64 64 ALA CA C 64 50.740 50.740 50.278 0.462 18887 5799 1 10 . 1 1 64 64 ALA CB C 64 19.690 19.690 19.377 0.313 18887 5800 1 10 . 1 1 64 64 ALA H H 64 8.840 8.840 8.523 0.317 18887 5801 1 10 . 1 1 65 65 VAL N N 65 110.260 110.260 117.806 -7.546 18887 5802 1 10 . 1 1 65 65 VAL HA H 65 5.690 5.690 5.303 0.387 18887 5803 1 10 . 1 1 65 65 VAL C C 65 175.380 175.380 174.541 0.839 18887 5804 1 10 . 1 1 65 65 VAL CA C 65 59.060 59.060 59.806 -0.746 18887 5805 1 10 . 1 1 65 65 VAL CB C 65 38.800 38.800 35.762 3.038 18887 5806 1 10 . 1 1 65 65 VAL H H 65 8.080 8.080 7.704 0.376 18887 5807 1 10 . 1 1 66 66 ASP N N 66 119.250 119.250 121.135 -1.885 18887 5808 1 10 . 1 1 66 66 ASP HA H 66 4.870 4.870 4.806 0.064 18887 5809 1 10 . 1 1 66 66 ASP C C 66 175.600 175.600 175.300 0.300 18887 5810 1 10 . 1 1 66 66 ASP CA C 66 53.780 53.780 53.526 0.254 18887 5811 1 10 . 1 1 66 66 ASP CB C 66 42.910 42.910 41.931 0.979 18887 5812 1 10 . 1 1 66 66 ASP H H 66 7.760 7.760 8.627 -0.867 18887 5813 1 10 . 1 1 67 67 THR N N 67 112.330 112.330 112.430 -0.100 18887 5814 1 10 . 1 1 67 67 THR HA H 67 4.510 4.510 4.399 0.111 18887 5815 1 10 . 1 1 67 67 THR C C 67 172.370 172.370 173.117 -0.747 18887 5816 1 10 . 1 1 67 67 THR CA C 67 59.650 59.650 60.976 -1.326 18887 5817 1 10 . 1 1 67 67 THR CB C 67 70.230 70.230 70.565 -0.335 18887 5818 1 10 . 1 1 67 67 THR H H 67 7.070 7.070 7.414 -0.344 18887 5819 1 10 . 1 1 68 68 LYS N N 68 121.380 121.380 120.894 0.486 18887 5820 1 10 . 1 1 68 68 LYS HA H 68 4.080 4.080 4.267 -0.187 18887 5821 1 10 . 1 1 68 68 LYS C C 68 176.250 176.250 175.256 0.994 18887 5822 1 10 . 1 1 68 68 LYS CA C 68 57.470 57.470 56.365 1.105 18887 5823 1 10 . 1 1 68 68 LYS CB C 68 34.020 34.020 32.853 1.167 18887 5824 1 10 . 1 1 68 68 LYS H H 68 7.540 7.540 8.265 -0.725 18887 5825 1 10 . 1 1 69 69 VAL N N 69 125.310 125.310 110.691 14.619 18887 5826 1 10 . 1 1 69 69 VAL HA H 69 3.320 3.320 4.832 -1.512 18887 5827 1 10 . 1 1 69 69 VAL C C 69 175.890 175.890 175.608 0.282 18887 5828 1 10 . 1 1 69 69 VAL CA C 69 64.110 64.110 59.676 4.434 18887 5829 1 10 . 1 1 69 69 VAL CB C 69 33.810 33.810 35.136 -1.326 18887 5830 1 10 . 1 1 69 69 VAL H H 69 8.320 8.320 7.988 0.332 18887 5831 1 10 . 1 1 70 70 ARG N N 70 111.240 111.240 122.175 -10.935 18887 5832 1 10 . 1 1 70 70 ARG HA H 70 4.160 4.160 4.301 -0.141 18887 5833 1 10 . 1 1 70 70 ARG C C 70 177.030 177.030 177.309 -0.279 18887 5834 1 10 . 1 1 70 70 ARG CA C 70 57.630 57.630 56.845 0.785 18887 5835 1 10 . 1 1 70 70 ARG CB C 70 31.440 31.440 30.375 1.065 18887 5836 1 10 . 1 1 70 70 ARG H H 70 9.580 9.580 8.520 1.060 18887 5837 1 10 . 1 1 71 71 ASN N N 71 120.660 120.660 116.281 4.379 18887 5838 1 10 . 1 1 71 71 ASN HA H 71 4.670 4.670 4.486 0.184 18887 5839 1 10 . 1 1 71 71 ASN C C 71 177.530 177.530 176.618 0.912 18887 5840 1 10 . 1 1 71 71 ASN CA C 71 54.770 54.770 54.794 -0.024 18887 5841 1 10 . 1 1 71 71 ASN CB C 71 37.130 37.130 38.267 -1.137 18887 5842 1 10 . 1 1 71 71 ASN H H 71 9.170 9.170 8.439 0.731 18887 5843 1 10 . 1 1 72 72 LYS N N 72 120.730 120.730 121.163 -0.433 18887 5844 1 10 . 1 1 72 72 LYS HA H 72 4.010 4.010 4.354 -0.344 18887 5845 1 10 . 1 1 72 72 LYS C C 72 177.790 177.790 177.432 0.358 18887 5846 1 10 . 1 1 72 72 LYS CA C 72 59.910 59.910 58.084 1.826 18887 5847 1 10 . 1 1 72 72 LYS CB C 72 33.260 33.260 31.998 1.262 18887 5848 1 10 . 1 1 72 72 LYS H H 72 8.400 8.400 8.230 0.170 18887 5849 1 10 . 1 1 73 73 GLU N N 73 122.670 122.670 117.004 5.666 18887 5850 1 10 . 1 1 73 73 GLU HA H 73 4.160 4.160 4.032 0.128 18887 5851 1 10 . 1 1 73 73 GLU C C 73 177.620 177.620 178.470 -0.850 18887 5852 1 10 . 1 1 73 73 GLU CA C 73 60.380 60.380 58.701 1.679 18887 5853 1 10 . 1 1 73 73 GLU CB C 73 28.660 28.660 29.655 -0.996 18887 5854 1 10 . 1 1 73 73 GLU H H 73 9.960 9.960 7.655 2.305 18887 5855 1 10 . 1 1 74 74 ARG N N 74 117.370 117.370 116.062 1.308 18887 5856 1 10 . 1 1 74 74 ARG HA H 74 3.770 3.770 4.256 -0.486 18887 5857 1 10 . 1 1 74 74 ARG C C 74 177.380 177.380 177.603 -0.223 18887 5858 1 10 . 1 1 74 74 ARG CA C 74 59.010 59.010 57.026 1.984 18887 5859 1 10 . 1 1 74 74 ARG CB C 74 32.720 32.720 30.547 2.173 18887 5860 1 10 . 1 1 74 74 ARG H H 74 6.830 6.830 7.310 -0.480 18887 5861 1 10 . 1 1 75 75 PHE N N 75 112.920 112.920 121.186 -8.266 18887 5862 1 10 . 1 1 75 75 PHE HA H 75 4.280 4.280 4.751 -0.471 18887 5863 1 10 . 1 1 75 75 PHE C C 75 174.870 174.870 175.527 -0.657 18887 5864 1 10 . 1 1 75 75 PHE CA C 75 57.370 57.370 55.532 1.838 18887 5865 1 10 . 1 1 75 75 PHE CB C 75 39.380 39.380 36.730 2.650 18887 5866 1 10 . 1 1 75 75 PHE H H 75 7.670 7.670 7.490 0.180 18887 5867 1 10 . 1 1 76 76 ASP N N 76 121.780 121.780 122.465 -0.685 18887 5868 1 10 . 1 1 76 76 ASP HA H 76 4.380 4.380 4.495 -0.115 18887 5869 1 10 . 1 1 76 76 ASP C C 76 177.380 177.380 178.150 -0.770 18887 5870 1 10 . 1 1 76 76 ASP CA C 76 57.700 57.700 56.319 1.381 18887 5871 1 10 . 1 1 76 76 ASP CB C 76 41.270 41.270 40.563 0.707 18887 5872 1 10 . 1 1 76 76 ASP H H 76 7.210 7.210 7.703 -0.493 18887 5873 1 10 . 1 1 77 77 GLY N N 77 111.910 111.910 108.957 2.953 18887 5874 1 10 . 1 1 77 77 GLY C C 77 174.310 174.310 173.487 0.823 18887 5875 1 10 . 1 1 77 77 GLY CA C 77 46.290 46.290 44.597 1.693 18887 5876 1 10 . 1 1 77 77 GLY H H 77 8.920 8.920 8.679 0.241 18887 5877 1 10 . 1 1 78 78 LYS N N 78 117.910 117.910 120.356 -2.446 18887 5878 1 10 . 1 1 78 78 LYS HA H 78 4.540 4.540 4.501 0.039 18887 5879 1 10 . 1 1 78 78 LYS C C 78 175.910 175.910 175.022 0.888 18887 5880 1 10 . 1 1 78 78 LYS CA C 78 53.410 53.410 54.639 -1.229 18887 5881 1 10 . 1 1 78 78 LYS CB C 78 32.780 32.780 36.115 -3.335 18887 5882 1 10 . 1 1 78 78 LYS H H 78 7.700 7.700 7.596 0.104 18887 5883 1 10 . 1 1 79 79 VAL N N 79 124.500 124.500 122.528 1.972 18887 5884 1 10 . 1 1 79 79 VAL HA H 79 3.850 3.850 4.148 -0.298 18887 5885 1 10 . 1 1 79 79 VAL C C 79 174.140 174.140 173.942 0.198 18887 5886 1 10 . 1 1 79 79 VAL CA C 79 64.810 64.810 61.941 2.869 18887 5887 1 10 . 1 1 79 79 VAL CB C 79 32.390 32.390 32.444 -0.055 18887 5888 1 10 . 1 1 79 79 VAL H H 79 8.890 8.890 8.631 0.259 18887 5889 1 10 . 1 1 80 80 VAL N N 80 125.810 125.810 129.026 -3.216 18887 5890 1 10 . 1 1 80 80 VAL HA H 80 4.690 4.690 4.313 0.377 18887 5891 1 10 . 1 1 80 80 VAL C C 80 175.270 175.270 174.811 0.459 18887 5892 1 10 . 1 1 80 80 VAL CA C 80 60.670 60.670 60.825 -0.155 18887 5893 1 10 . 1 1 80 80 VAL CB C 80 35.970 35.970 32.932 3.038 18887 5894 1 10 . 1 1 80 80 VAL H H 80 7.860 7.860 8.430 -0.570 18887 5895 1 10 . 1 1 81 81 LEU N N 81 110.550 110.550 130.951 -20.401 18887 5896 1 10 . 1 1 81 81 LEU HA H 81 4.490 4.490 4.732 -0.242 18887 5897 1 10 . 1 1 81 81 LEU C C 81 173.930 173.930 174.688 -0.758 18887 5898 1 10 . 1 1 81 81 LEU CA C 81 54.410 54.410 53.496 0.914 18887 5899 1 10 . 1 1 81 81 LEU CB C 81 45.100 45.100 43.368 1.732 18887 5900 1 10 . 1 1 81 81 LEU H H 81 8.790 8.790 9.040 -0.251 18887 5901 1 10 . 1 1 82 82 GLU N N 82 111.070 111.070 127.858 -16.788 18887 5902 1 10 . 1 1 82 82 GLU HA H 82 5.460 5.460 4.916 0.544 18887 5903 1 10 . 1 1 82 82 GLU C C 82 175.440 175.440 175.321 0.119 18887 5904 1 10 . 1 1 82 82 GLU CA C 82 56.010 56.010 55.352 0.658 18887 5905 1 10 . 1 1 82 82 GLU CB C 82 32.100 32.100 31.787 0.313 18887 5906 1 10 . 1 1 82 82 GLU H H 82 8.750 8.750 8.725 0.025 18887 5907 1 10 . 1 1 83 83 VAL N N 83 119.980 119.980 120.200 -0.220 18887 5908 1 10 . 1 1 83 83 VAL HA H 83 4.950 4.950 4.719 0.231 18887 5909 1 10 . 1 1 83 83 VAL C C 83 172.120 172.120 173.255 -1.135 18887 5910 1 10 . 1 1 83 83 VAL CA C 83 58.760 58.760 58.140 0.620 18887 5911 1 10 . 1 1 83 83 VAL CB C 83 34.570 34.570 34.016 0.554 18887 5912 1 10 . 1 1 83 83 VAL H H 83 9.390 9.390 8.983 0.407 18887 5913 1 10 . 1 1 84 84 PRO HA H 84 4.740 4.740 4.678 0.062 18887 5914 1 10 . 1 1 84 84 PRO C C 84 178.300 178.300 178.140 0.160 18887 5915 1 10 . 1 1 84 84 PRO CA C 84 63.330 63.330 62.708 0.623 18887 5916 1 10 . 1 1 84 84 PRO CB C 84 33.430 33.430 32.262 1.168 18887 5917 1 10 . 1 1 85 85 VAL N N 85 122.390 122.390 122.751 -0.361 18887 5918 1 10 . 1 1 85 85 VAL HA H 85 3.320 3.320 3.660 -0.340 18887 5919 1 10 . 1 1 85 85 VAL C C 85 174.190 174.190 176.841 -2.651 18887 5920 1 10 . 1 1 85 85 VAL CA C 85 66.540 66.540 64.940 1.600 18887 5921 1 10 . 1 1 85 85 VAL CB C 85 32.970 32.970 31.978 0.992 18887 5922 1 10 . 1 1 85 85 VAL H H 85 7.240 7.240 8.050 -0.810 18887 5923 1 10 . 1 1 86 86 SER N N 86 125.590 125.590 113.222 12.368 18887 5924 1 10 . 1 1 86 86 SER HA H 86 4.020 4.020 4.254 -0.234 18887 5925 1 10 . 1 1 86 86 SER C C 86 176.940 176.940 175.563 1.377 18887 5926 1 10 . 1 1 86 86 SER CA C 86 60.200 60.200 60.365 -0.165 18887 5927 1 10 . 1 1 86 86 SER CB C 86 64.060 64.060 62.611 1.449 18887 5928 1 10 . 1 1 86 86 SER H H 86 7.600 7.600 8.132 -0.532 18887 5929 1 10 . 1 1 87 87 ALA N N 87 125.200 125.200 124.337 0.863 18887 5930 1 10 . 1 1 87 87 ALA HA H 87 4.280 4.280 4.315 -0.035 18887 5931 1 10 . 1 1 87 87 ALA C C 87 177.370 177.370 175.923 1.447 18887 5932 1 10 . 1 1 87 87 ALA CA C 87 57.600 57.600 56.483 1.117 18887 5933 1 10 . 1 1 87 87 ALA CB C 87 16.620 16.620 16.812 -0.192 18887 5934 1 10 . 1 1 87 87 ALA H H 87 7.870 7.870 8.115 -0.245 18887 5935 1 10 . 1 1 88 88 PRO HA H 88 4.000 4.000 4.397 -0.397 18887 5936 1 10 . 1 1 88 88 PRO C C 88 175.090 175.090 177.523 -2.433 18887 5937 1 10 . 1 1 88 88 PRO CA C 88 65.410 65.410 64.893 0.517 18887 5938 1 10 . 1 1 88 88 PRO CB C 88 32.130 32.130 31.078 1.052 18887 5939 1 10 . 1 1 89 89 ILE N N 89 114.700 114.700 117.810 -3.110 18887 5940 1 10 . 1 1 89 89 ILE HA H 89 3.310 3.310 3.969 -0.659 18887 5941 1 10 . 1 1 89 89 ILE C C 89 177.850 177.850 177.366 0.484 18887 5942 1 10 . 1 1 89 89 ILE CA C 89 66.320 66.320 63.885 2.435 18887 5943 1 10 . 1 1 89 89 ILE CB C 89 38.790 38.790 37.999 0.791 18887 5944 1 10 . 1 1 89 89 ILE H H 89 6.300 6.300 7.306 -1.006 18887 5945 1 10 . 1 1 90 90 LYS N N 90 118.530 118.530 119.198 -0.668 18887 5946 1 10 . 1 1 90 90 LYS HA H 90 4.060 4.060 4.362 -0.302 18887 5947 1 10 . 1 1 90 90 LYS C C 90 177.390 177.390 177.387 0.003 18887 5948 1 10 . 1 1 90 90 LYS CA C 90 59.710 59.710 57.786 1.924 18887 5949 1 10 . 1 1 90 90 LYS CB C 90 33.940 33.940 34.044 -0.104 18887 5950 1 10 . 1 1 90 90 LYS H H 90 7.440 7.440 7.680 -0.240 18887 5951 1 10 . 1 1 91 91 ASP N N 91 114.670 114.670 120.900 -6.230 18887 5952 1 10 . 1 1 91 91 ASP HA H 91 4.530 4.530 4.924 -0.394 18887 5953 1 10 . 1 1 91 91 ASP C C 91 174.350 174.350 176.039 -1.689 18887 5954 1 10 . 1 1 91 91 ASP CA C 91 55.120 55.120 54.002 1.118 18887 5955 1 10 . 1 1 91 91 ASP CB C 91 41.530 41.530 40.916 0.614 18887 5956 1 10 . 1 1 91 91 ASP H H 91 7.700 7.700 8.423 -0.723 18887 5957 1 10 . 1 1 92 92 ALA N N 92 111.350 111.350 123.480 -12.130 18887 5958 1 10 . 1 1 92 92 ALA HA H 92 3.830 3.830 3.993 -0.163 18887 5959 1 10 . 1 1 92 92 ALA C C 92 169.330 169.330 179.183 -9.853 18887 5960 1 10 . 1 1 92 92 ALA CA C 92 57.220 57.220 55.610 1.610 18887 5961 1 10 . 1 1 92 92 ALA CB C 92 20.700 20.700 18.665 2.035 18887 5962 1 10 . 1 1 92 92 ALA H H 92 8.860 8.860 7.711 1.149 18887 5963 1 10 . 1 1 93 93 GLU N N 93 117.860 117.860 117.186 0.674 18887 5964 1 10 . 1 1 93 93 GLU HA H 93 3.860 3.860 3.954 -0.094 18887 5965 1 10 . 1 1 93 93 GLU C C 93 177.970 177.970 178.849 -0.879 18887 5966 1 10 . 1 1 93 93 GLU CA C 93 61.240 61.240 59.515 1.725 18887 5967 1 10 . 1 1 93 93 GLU CB C 93 30.570 30.570 28.960 1.610 18887 5968 1 10 . 1 1 93 93 GLU H H 93 8.520 8.520 8.751 -0.231 18887 5969 1 10 . 1 1 94 94 LYS N N 94 119.790 119.790 120.127 -0.337 18887 5970 1 10 . 1 1 94 94 LYS HA H 94 3.930 3.930 4.125 -0.195 18887 5971 1 10 . 1 1 94 94 LYS C C 94 169.840 169.840 179.090 -9.250 18887 5972 1 10 . 1 1 94 94 LYS CA C 94 60.600 60.600 59.125 1.475 18887 5973 1 10 . 1 1 94 94 LYS CB C 94 33.550 33.550 32.223 1.327 18887 5974 1 10 . 1 1 94 94 LYS H H 94 7.670 7.670 7.297 0.373 18887 5975 1 10 . 1 1 95 95 VAL N N 95 118.850 118.850 120.292 -1.442 18887 5976 1 10 . 1 1 95 95 VAL HA H 95 3.590 3.590 3.639 -0.049 18887 5977 1 10 . 1 1 95 95 VAL C C 95 176.620 176.620 178.072 -1.452 18887 5978 1 10 . 1 1 95 95 VAL CA C 95 67.220 67.220 66.899 0.321 18887 5979 1 10 . 1 1 95 95 VAL CB C 95 32.880 32.880 31.640 1.240 18887 5980 1 10 . 1 1 95 95 VAL H H 95 7.150 7.150 8.445 -1.295 18887 5981 1 10 . 1 1 96 96 ILE N N 96 119.120 119.120 120.243 -1.123 18887 5982 1 10 . 1 1 96 96 ILE HA H 96 3.380 3.380 3.523 -0.143 18887 5983 1 10 . 1 1 96 96 ILE C C 96 177.750 177.750 177.993 -0.243 18887 5984 1 10 . 1 1 96 96 ILE CA C 96 67.190 67.190 65.513 1.677 18887 5985 1 10 . 1 1 96 96 ILE CB C 96 38.440 38.440 37.366 1.074 18887 5986 1 10 . 1 1 96 96 ILE H H 96 8.380 8.380 8.091 0.289 18887 5987 1 10 . 1 1 97 97 ASN N N 97 117.000 117.000 118.380 -1.380 18887 5988 1 10 . 1 1 97 97 ASN HA H 97 4.420 4.420 4.425 -0.005 18887 5989 1 10 . 1 1 97 97 ASN C C 97 178.380 178.380 177.658 0.722 18887 5990 1 10 . 1 1 97 97 ASN CA C 97 57.430 57.430 56.210 1.220 18887 5991 1 10 . 1 1 97 97 ASN CB C 97 39.030 39.030 37.866 1.164 18887 5992 1 10 . 1 1 97 97 ASN H H 97 8.730 8.730 8.401 0.329 18887 5993 1 10 . 1 1 98 98 ALA N N 98 123.790 123.790 122.728 1.062 18887 5994 1 10 . 1 1 98 98 ALA HA H 98 4.100 4.100 4.071 0.029 18887 5995 1 10 . 1 1 98 98 ALA C C 98 169.600 169.600 179.355 -9.755 18887 5996 1 10 . 1 1 98 98 ALA CA C 98 55.890 55.890 55.016 0.874 18887 5997 1 10 . 1 1 98 98 ALA CB C 98 18.850 18.850 18.188 0.662 18887 5998 1 10 . 1 1 98 98 ALA H H 98 7.950 7.950 8.260 -0.310 18887 5999 1 10 . 1 1 99 99 ALA N N 99 122.120 122.120 120.632 1.488 18887 6000 1 10 . 1 1 99 99 ALA HA H 99 3.930 3.930 3.929 0.001 18887 6001 1 10 . 1 1 99 99 ALA C C 99 178.700 178.700 179.622 -0.922 18887 6002 1 10 . 1 1 99 99 ALA CA C 99 55.920 55.920 54.861 1.059 18887 6003 1 10 . 1 1 99 99 ALA CB C 99 18.960 18.960 18.480 0.480 18887 6004 1 10 . 1 1 99 99 ALA H H 99 7.930 7.930 7.600 0.330 18887 6005 1 10 . 1 1 100 100 LEU N N 100 115.870 115.870 118.117 -2.247 18887 6006 1 10 . 1 1 100 100 LEU HA H 100 3.900 3.900 3.983 -0.083 18887 6007 1 10 . 1 1 100 100 LEU C C 100 169.150 169.150 178.890 -9.740 18887 6008 1 10 . 1 1 100 100 LEU CA C 100 58.140 58.140 57.254 0.886 18887 6009 1 10 . 1 1 100 100 LEU CB C 100 41.730 41.730 41.627 0.103 18887 6010 1 10 . 1 1 100 100 LEU H H 100 8.220 8.220 7.555 0.665 18887 6011 1 10 . 1 1 101 101 ALA N N 101 120.410 120.410 121.003 -0.593 18887 6012 1 10 . 1 1 101 101 ALA HA H 101 4.100 4.100 4.272 -0.172 18887 6013 1 10 . 1 1 101 101 ALA C C 101 169.730 169.730 179.756 -10.026 18887 6014 1 10 . 1 1 101 101 ALA CA C 101 55.680 55.680 54.869 0.811 18887 6015 1 10 . 1 1 101 101 ALA CB C 101 18.860 18.860 18.087 0.773 18887 6016 1 10 . 1 1 101 101 ALA H H 101 7.970 7.970 8.195 -0.225 18887 6017 1 10 . 1 1 102 102 LEU N N 102 115.090 115.090 117.974 -2.884 18887 6018 1 10 . 1 1 102 102 LEU HA H 102 4.120 4.120 4.147 -0.027 18887 6019 1 10 . 1 1 102 102 LEU C C 102 169.060 169.060 178.235 -9.175 18887 6020 1 10 . 1 1 102 102 LEU CA C 102 57.870 57.870 57.444 0.426 18887 6021 1 10 . 1 1 102 102 LEU CB C 102 43.730 43.730 42.155 1.575 18887 6022 1 10 . 1 1 102 102 LEU H H 102 7.330 7.330 7.360 -0.030 18887 6023 1 10 . 1 1 103 103 ILE N N 103 110.170 110.170 114.073 -3.903 18887 6024 1 10 . 1 1 103 103 ILE HA H 103 4.430 4.430 4.204 0.226 18887 6025 1 10 . 1 1 103 103 ILE C C 103 176.670 176.670 177.255 -0.585 18887 6026 1 10 . 1 1 103 103 ILE CA C 103 62.520 62.520 62.826 -0.306 18887 6027 1 10 . 1 1 103 103 ILE CB C 103 40.020 40.020 39.079 0.941 18887 6028 1 10 . 1 1 103 103 ILE H H 103 7.140 7.140 7.470 -0.330 18887 6029 1 10 . 1 1 104 104 ASP N N 104 122.560 122.560 120.072 2.488 18887 6030 1 10 . 1 1 104 104 ASP HA H 104 4.650 4.650 4.667 -0.017 18887 6031 1 10 . 1 1 104 104 ASP C C 104 176.670 176.670 175.471 1.199 18887 6032 1 10 . 1 1 104 104 ASP CA C 104 56.220 56.220 54.021 2.199 18887 6033 1 10 . 1 1 104 104 ASP CB C 104 42.080 42.080 42.669 -0.589 18887 6034 1 10 . 1 1 104 104 ASP H H 104 8.000 8.000 8.224 -0.224 18887 6035 1 10 . 1 1 105 105 GLU N N 105 120.750 120.750 117.082 3.668 18887 6036 1 10 . 1 1 105 105 GLU HA H 105 4.300 4.300 3.995 0.305 18887 6037 1 10 . 1 1 105 105 GLU C C 105 175.470 175.470 174.989 0.481 18887 6038 1 10 . 1 1 105 105 GLU CA C 105 57.640 57.640 57.593 0.047 18887 6039 1 10 . 1 1 105 105 GLU CB C 105 30.870 30.870 28.052 2.818 18887 6040 1 10 . 1 1 105 105 GLU H H 105 8.030 8.030 7.655 0.375 18887 6041 1 11 . 1 1 2 2 LYS N N 2 120.950 120.950 117.906 3.044 18887 6042 1 11 . 1 1 2 2 LYS HA H 2 4.330 4.330 3.946 0.384 18887 6043 1 11 . 1 1 2 2 LYS C C 2 176.040 176.040 175.703 0.337 18887 6044 1 11 . 1 1 2 2 LYS CA C 2 57.850 57.850 57.117 0.733 18887 6045 1 11 . 1 1 2 2 LYS CB C 2 33.480 33.480 30.483 2.997 18887 6046 1 11 . 1 1 2 2 LYS H H 2 8.220 8.220 8.739 -0.519 18887 6047 1 11 . 1 1 3 3 ARG N N 3 120.340 120.340 120.223 0.117 18887 6048 1 11 . 1 1 3 3 ARG HA H 3 4.660 4.660 4.156 0.504 18887 6049 1 11 . 1 1 3 3 ARG C C 3 175.960 175.960 175.632 0.328 18887 6050 1 11 . 1 1 3 3 ARG CA C 3 53.810 53.810 56.158 -2.348 18887 6051 1 11 . 1 1 3 3 ARG CB C 3 29.710 29.710 31.140 -1.430 18887 6052 1 11 . 1 1 3 3 ARG H H 3 8.220 8.220 8.140 0.080 18887 6053 1 11 . 1 1 4 4 LYS N N 4 121.540 121.540 126.249 -4.709 18887 6054 1 11 . 1 1 4 4 LYS HA H 4 4.770 4.770 4.798 -0.028 18887 6055 1 11 . 1 1 4 4 LYS C C 4 174.820 174.820 175.986 -1.166 18887 6056 1 11 . 1 1 4 4 LYS CA C 4 57.230 57.230 55.996 1.234 18887 6057 1 11 . 1 1 4 4 LYS CB C 4 33.800 33.800 31.930 1.870 18887 6058 1 11 . 1 1 4 4 LYS H H 4 8.880 8.880 8.566 0.314 18887 6059 1 11 . 1 1 5 5 ILE N N 5 125.030 125.030 126.067 -1.037 18887 6060 1 11 . 1 1 5 5 ILE HA H 5 4.530 4.530 4.759 -0.229 18887 6061 1 11 . 1 1 5 5 ILE C C 5 175.420 175.420 174.023 1.397 18887 6062 1 11 . 1 1 5 5 ILE CA C 5 61.120 61.120 60.314 0.806 18887 6063 1 11 . 1 1 5 5 ILE CB C 5 41.880 41.880 42.160 -0.280 18887 6064 1 11 . 1 1 5 5 ILE H H 5 8.760 8.760 9.197 -0.437 18887 6065 1 11 . 1 1 6 6 ILE N N 6 119.270 119.270 121.815 -2.545 18887 6066 1 11 . 1 1 6 6 ILE HA H 6 5.440 5.440 5.103 0.337 18887 6067 1 11 . 1 1 6 6 ILE C C 6 173.880 173.880 173.527 0.353 18887 6068 1 11 . 1 1 6 6 ILE CA C 6 60.480 60.480 57.969 2.510 18887 6069 1 11 . 1 1 6 6 ILE CB C 6 42.120 42.120 40.166 1.954 18887 6070 1 11 . 1 1 6 6 ILE H H 6 8.110 8.110 8.287 -0.177 18887 6071 1 11 . 1 1 7 7 ALA N N 7 122.330 122.330 128.252 -5.922 18887 6072 1 11 . 1 1 7 7 ALA HA H 7 5.780 5.780 4.929 0.851 18887 6073 1 11 . 1 1 7 7 ALA C C 7 173.950 173.950 175.325 -1.375 18887 6074 1 11 . 1 1 7 7 ALA CA C 7 51.280 51.280 50.301 0.979 18887 6075 1 11 . 1 1 7 7 ALA CB C 7 25.930 25.930 22.563 3.367 18887 6076 1 11 . 1 1 7 7 ALA H H 7 8.790 8.790 8.735 0.055 18887 6077 1 11 . 1 1 8 8 VAL N N 8 119.860 119.860 125.136 -5.276 18887 6078 1 11 . 1 1 8 8 VAL HA H 8 5.190 5.190 4.603 0.587 18887 6079 1 11 . 1 1 8 8 VAL C C 8 175.590 175.590 175.461 0.129 18887 6080 1 11 . 1 1 8 8 VAL CA C 8 61.340 61.340 60.621 0.719 18887 6081 1 11 . 1 1 8 8 VAL CB C 8 36.650 36.650 32.859 3.791 18887 6082 1 11 . 1 1 8 8 VAL H H 8 8.950 8.950 8.824 0.126 18887 6083 1 11 . 1 1 9 9 THR N N 9 116.320 116.320 119.282 -2.962 18887 6084 1 11 . 1 1 9 9 THR HA H 9 5.500 5.500 5.231 0.269 18887 6085 1 11 . 1 1 9 9 THR C C 9 172.920 172.920 173.311 -0.391 18887 6086 1 11 . 1 1 9 9 THR CA C 9 59.470 59.470 59.836 -0.365 18887 6087 1 11 . 1 1 9 9 THR CB C 9 71.510 71.510 69.572 1.938 18887 6088 1 11 . 1 1 9 9 THR H H 9 8.860 8.860 9.307 -0.447 18887 6089 1 11 . 1 1 10 10 ALA N N 10 121.780 121.780 129.337 -7.557 18887 6090 1 11 . 1 1 10 10 ALA HA H 10 4.800 4.800 5.690 -0.890 18887 6091 1 11 . 1 1 10 10 ALA C C 10 174.680 174.680 175.240 -0.560 18887 6092 1 11 . 1 1 10 10 ALA CA C 10 54.300 54.300 50.786 3.514 18887 6093 1 11 . 1 1 10 10 ALA CB C 10 22.940 22.940 22.895 0.045 18887 6094 1 11 . 1 1 10 10 ALA H H 10 7.710 7.710 9.388 -1.678 18887 6095 1 11 . 1 1 11 11 CYS N N 11 121.780 121.780 121.589 0.191 18887 6096 1 11 . 1 1 11 11 CYS HA H 11 5.160 5.160 4.721 0.440 18887 6097 1 11 . 1 1 11 11 CYS C C 11 174.700 174.700 173.967 0.733 18887 6098 1 11 . 1 1 11 11 CYS CA C 11 57.150 57.150 58.477 -1.327 18887 6099 1 11 . 1 1 11 11 CYS CB C 11 30.830 30.830 31.395 -0.565 18887 6100 1 11 . 1 1 11 11 CYS H H 11 8.140 8.140 8.368 -0.228 18887 6101 1 11 . 1 1 12 12 ALA N N 12 113.900 113.900 128.978 -15.078 18887 6102 1 11 . 1 1 12 12 ALA HA H 12 4.220 4.220 4.341 -0.121 18887 6103 1 11 . 1 1 12 12 ALA C C 12 168.950 168.950 176.894 -7.944 18887 6104 1 11 . 1 1 12 12 ALA CA C 12 55.270 55.270 53.963 1.307 18887 6105 1 11 . 1 1 12 12 ALA CB C 12 20.320 20.320 19.605 0.715 18887 6106 1 11 . 1 1 12 12 ALA H H 12 10.630 10.630 8.702 1.928 18887 6107 1 11 . 1 1 13 13 THR N N 13 109.490 109.490 111.083 -1.593 18887 6108 1 11 . 1 1 13 13 THR HA H 13 4.390 4.390 4.398 -0.008 18887 6109 1 11 . 1 1 13 13 THR C C 13 174.870 174.870 174.852 0.018 18887 6110 1 11 . 1 1 13 13 THR CA C 13 62.910 62.910 61.158 1.752 18887 6111 1 11 . 1 1 13 13 THR CB C 13 70.640 70.640 69.294 1.346 18887 6112 1 11 . 1 1 13 13 THR H H 13 8.180 8.180 7.544 0.636 18887 6113 1 11 . 1 1 14 14 GLY N N 14 111.450 111.450 114.811 -3.361 18887 6114 1 11 . 1 1 14 14 GLY C C 14 173.680 173.680 174.660 -0.980 18887 6115 1 11 . 1 1 14 14 GLY CA C 14 47.050 47.050 44.753 2.297 18887 6116 1 11 . 1 1 14 14 GLY H H 14 7.880 7.880 8.822 -0.942 18887 6117 1 11 . 1 1 15 15 VAL N N 15 119.530 119.530 122.936 -3.406 18887 6118 1 11 . 1 1 15 15 VAL HA H 15 4.110 4.110 3.566 0.544 18887 6119 1 11 . 1 1 15 15 VAL C C 15 176.860 176.860 177.548 -0.688 18887 6120 1 11 . 1 1 15 15 VAL CA C 15 64.740 64.740 64.986 -0.246 18887 6121 1 11 . 1 1 15 15 VAL CB C 15 33.690 33.690 31.775 1.915 18887 6122 1 11 . 1 1 15 15 VAL H H 15 8.250 8.250 8.382 -0.132 18887 6123 1 11 . 1 1 16 16 ALA N N 16 123.230 123.230 120.974 2.256 18887 6124 1 11 . 1 1 16 16 ALA HA H 16 4.230 4.230 4.265 -0.035 18887 6125 1 11 . 1 1 16 16 ALA C C 16 170.610 170.610 179.585 -8.975 18887 6126 1 11 . 1 1 16 16 ALA CA C 16 56.280 56.280 54.973 1.307 18887 6127 1 11 . 1 1 16 16 ALA CB C 16 19.320 19.320 17.910 1.410 18887 6128 1 11 . 1 1 16 16 ALA H H 16 8.430 8.430 8.580 -0.150 18887 6129 1 11 . 1 1 17 17 HIS HA H 17 4.380 4.380 4.352 0.028 18887 6130 1 11 . 1 1 17 17 HIS C C 17 177.260 177.260 177.703 -0.443 18887 6131 1 11 . 1 1 17 17 HIS CA C 17 60.060 60.060 58.295 1.765 18887 6132 1 11 . 1 1 17 17 HIS CB C 17 31.990 31.990 30.075 1.915 18887 6133 1 11 . 1 1 18 18 THR N N 18 115.830 115.830 117.779 -1.949 18887 6134 1 11 . 1 1 18 18 THR HA H 18 3.540 3.540 4.019 -0.479 18887 6135 1 11 . 1 1 18 18 THR C C 18 176.690 176.690 176.099 0.591 18887 6136 1 11 . 1 1 18 18 THR CA C 18 67.700 67.700 67.501 0.199 18887 6137 1 11 . 1 1 18 18 THR CB C 18 69.550 69.550 68.680 0.870 18887 6138 1 11 . 1 1 18 18 THR H H 18 7.590 7.590 8.108 -0.518 18887 6139 1 11 . 1 1 19 19 TYR N N 19 121.050 121.050 122.814 -1.764 18887 6140 1 11 . 1 1 19 19 TYR HA H 19 4.340 4.340 4.365 -0.025 18887 6141 1 11 . 1 1 19 19 TYR C C 19 178.420 178.420 176.991 1.429 18887 6142 1 11 . 1 1 19 19 TYR CA C 19 61.220 61.220 61.091 0.129 18887 6143 1 11 . 1 1 19 19 TYR CB C 19 38.400 38.400 38.481 -0.081 18887 6144 1 11 . 1 1 19 19 TYR H H 19 7.710 7.710 8.495 -0.785 18887 6145 1 11 . 1 1 20 20 MET N N 20 120.220 120.220 119.817 0.403 18887 6146 1 11 . 1 1 20 20 MET HA H 20 4.160 4.160 3.869 0.291 18887 6147 1 11 . 1 1 20 20 MET C C 20 169.550 169.550 177.834 -8.284 18887 6148 1 11 . 1 1 20 20 MET CA C 20 60.050 60.050 59.061 0.989 18887 6149 1 11 . 1 1 20 20 MET CB C 20 34.410 34.410 32.485 1.925 18887 6150 1 11 . 1 1 20 20 MET H H 20 8.470 8.470 8.027 0.443 18887 6151 1 11 . 1 1 21 21 ALA N N 21 122.280 122.280 120.533 1.747 18887 6152 1 11 . 1 1 21 21 ALA HA H 21 3.870 3.870 3.927 -0.057 18887 6153 1 11 . 1 1 21 21 ALA C C 21 178.630 178.630 179.087 -0.457 18887 6154 1 11 . 1 1 21 21 ALA CA C 21 56.760 56.760 55.033 1.727 18887 6155 1 11 . 1 1 21 21 ALA CB C 21 19.690 19.690 18.048 1.642 18887 6156 1 11 . 1 1 21 21 ALA H H 21 8.490 8.490 8.069 0.421 18887 6157 1 11 . 1 1 22 22 ALA N N 22 120.240 120.240 121.700 -1.460 18887 6158 1 11 . 1 1 22 22 ALA HA H 22 3.900 3.900 3.830 0.070 18887 6159 1 11 . 1 1 22 22 ALA C C 22 169.200 169.200 179.332 -10.132 18887 6160 1 11 . 1 1 22 22 ALA CA C 22 56.880 56.880 55.154 1.726 18887 6161 1 11 . 1 1 22 22 ALA CB C 22 19.560 19.560 18.460 1.100 18887 6162 1 11 . 1 1 22 22 ALA H H 22 7.660 7.660 7.537 0.123 18887 6163 1 11 . 1 1 23 23 GLN N N 23 116.680 116.680 117.615 -0.935 18887 6164 1 11 . 1 1 23 23 GLN HA H 23 3.940 3.940 3.909 0.031 18887 6165 1 11 . 1 1 23 23 GLN C C 23 178.500 178.500 178.194 0.306 18887 6166 1 11 . 1 1 23 23 GLN CA C 23 59.550 59.550 58.072 1.478 18887 6167 1 11 . 1 1 23 23 GLN CB C 23 29.660 29.660 28.293 1.367 18887 6168 1 11 . 1 1 23 23 GLN H H 23 8.430 8.430 8.260 0.170 18887 6169 1 11 . 1 1 24 24 ALA N N 24 121.760 121.760 123.650 -1.890 18887 6170 1 11 . 1 1 24 24 ALA HA H 24 4.140 4.140 3.982 0.158 18887 6171 1 11 . 1 1 24 24 ALA C C 24 171.490 171.490 179.343 -7.853 18887 6172 1 11 . 1 1 24 24 ALA CA C 24 56.060 56.060 55.083 0.977 18887 6173 1 11 . 1 1 24 24 ALA CB C 24 19.760 19.760 18.547 1.213 18887 6174 1 11 . 1 1 24 24 ALA H H 24 8.130 8.130 8.289 -0.159 18887 6175 1 11 . 1 1 25 25 LEU N N 25 118.730 118.730 119.335 -0.605 18887 6176 1 11 . 1 1 25 25 LEU HA H 25 3.850 3.850 3.814 0.036 18887 6177 1 11 . 1 1 25 25 LEU C C 25 177.990 177.990 178.954 -0.964 18887 6178 1 11 . 1 1 25 25 LEU CA C 25 59.280 59.280 57.923 1.357 18887 6179 1 11 . 1 1 25 25 LEU CB C 25 43.190 43.190 41.518 1.672 18887 6180 1 11 . 1 1 25 25 LEU H H 25 8.030 8.030 8.319 -0.289 18887 6181 1 11 . 1 1 26 26 LYS N N 26 118.850 118.850 119.050 -0.200 18887 6182 1 11 . 1 1 26 26 LYS HA H 26 3.840 3.840 3.860 -0.020 18887 6183 1 11 . 1 1 26 26 LYS C C 26 169.460 169.460 178.572 -9.112 18887 6184 1 11 . 1 1 26 26 LYS CA C 26 61.420 61.420 59.577 1.843 18887 6185 1 11 . 1 1 26 26 LYS CB C 26 33.440 33.440 32.200 1.240 18887 6186 1 11 . 1 1 26 26 LYS H H 26 8.000 8.000 8.151 -0.151 18887 6187 1 11 . 1 1 27 27 LYS N N 27 120.350 120.350 118.554 1.796 18887 6188 1 11 . 1 1 27 27 LYS HA H 27 3.990 3.990 4.034 -0.044 18887 6189 1 11 . 1 1 27 27 LYS C C 27 169.670 169.670 178.865 -9.195 18887 6190 1 11 . 1 1 27 27 LYS CA C 27 60.700 60.700 59.258 1.442 18887 6191 1 11 . 1 1 27 27 LYS CB C 27 33.620 33.620 32.350 1.270 18887 6192 1 11 . 1 1 27 27 LYS H H 27 8.350 8.350 7.726 0.624 18887 6193 1 11 . 1 1 28 28 GLY N N 28 125.170 125.170 106.627 18.543 18887 6194 1 11 . 1 1 28 28 GLY C C 28 174.520 174.520 175.853 -1.333 18887 6195 1 11 . 1 1 28 28 GLY CA C 28 47.870 47.870 47.129 0.741 18887 6196 1 11 . 1 1 28 28 GLY H H 28 8.410 8.410 8.389 0.021 18887 6197 1 11 . 1 1 29 29 ALA N N 29 122.370 122.370 123.796 -1.426 18887 6198 1 11 . 1 1 29 29 ALA HA H 29 3.820 3.820 3.985 -0.165 18887 6199 1 11 . 1 1 29 29 ALA C C 29 169.050 169.050 178.804 -9.754 18887 6200 1 11 . 1 1 29 29 ALA CA C 29 56.840 56.840 54.519 2.321 18887 6201 1 11 . 1 1 29 29 ALA CB C 29 18.800 18.800 18.277 0.522 18887 6202 1 11 . 1 1 29 29 ALA H H 29 8.280 8.280 8.117 0.163 18887 6203 1 11 . 1 1 30 30 LYS N N 30 117.490 117.490 118.554 -1.064 18887 6204 1 11 . 1 1 30 30 LYS HA H 30 4.130 4.130 4.008 0.122 18887 6205 1 11 . 1 1 30 30 LYS C C 30 170.330 170.330 178.678 -8.348 18887 6206 1 11 . 1 1 30 30 LYS CA C 30 60.420 60.420 58.830 1.590 18887 6207 1 11 . 1 1 30 30 LYS CB C 30 33.230 33.230 32.451 0.779 18887 6208 1 11 . 1 1 30 30 LYS H H 30 7.720 7.720 7.580 0.140 18887 6209 1 11 . 1 1 31 31 LYS N N 31 121.050 121.050 119.974 1.076 18887 6210 1 11 . 1 1 31 31 LYS HA H 31 4.020 4.020 4.072 -0.052 18887 6211 1 11 . 1 1 31 31 LYS C C 31 178.160 178.160 178.703 -0.543 18887 6212 1 11 . 1 1 31 31 LYS CA C 31 60.360 60.360 58.583 1.777 18887 6213 1 11 . 1 1 31 31 LYS CB C 31 33.380 33.380 32.129 1.251 18887 6214 1 11 . 1 1 31 31 LYS H H 31 7.930 7.930 7.881 0.049 18887 6215 1 11 . 1 1 32 32 MET N N 32 114.620 114.620 114.630 -0.010 18887 6216 1 11 . 1 1 32 32 MET HA H 32 4.240 4.240 4.351 -0.111 18887 6217 1 11 . 1 1 32 32 MET C C 32 175.810 175.810 176.653 -0.843 18887 6218 1 11 . 1 1 32 32 MET CA C 32 57.400 57.400 56.573 0.827 18887 6219 1 11 . 1 1 32 32 MET CB C 32 37.710 37.710 33.651 4.059 18887 6220 1 11 . 1 1 32 32 MET H H 32 7.420 7.420 7.631 -0.211 18887 6221 1 11 . 1 1 33 33 GLY N N 33 124.900 124.900 107.165 17.735 18887 6222 1 11 . 1 1 33 33 GLY C C 33 174.340 174.340 172.943 1.397 18887 6223 1 11 . 1 1 33 33 GLY CA C 33 46.830 46.830 44.985 1.845 18887 6224 1 11 . 1 1 33 33 GLY H H 33 7.860 7.860 7.853 0.007 18887 6225 1 11 . 1 1 34 34 ASN N N 34 116.070 116.070 117.871 -1.801 18887 6226 1 11 . 1 1 34 34 ASN HA H 34 5.210 5.210 5.485 -0.275 18887 6227 1 11 . 1 1 34 34 ASN C C 34 173.080 173.080 174.293 -1.213 18887 6228 1 11 . 1 1 34 34 ASN CA C 34 52.770 52.770 51.843 0.927 18887 6229 1 11 . 1 1 34 34 ASN CB C 34 42.880 42.880 42.304 0.576 18887 6230 1 11 . 1 1 34 34 ASN H H 34 8.160 8.160 7.967 0.193 18887 6231 1 11 . 1 1 35 35 LEU N N 35 121.450 121.450 122.373 -0.923 18887 6232 1 11 . 1 1 35 35 LEU HA H 35 4.620 4.620 4.646 -0.026 18887 6233 1 11 . 1 1 35 35 LEU C C 35 174.930 174.930 175.064 -0.134 18887 6234 1 11 . 1 1 35 35 LEU CA C 35 55.150 55.150 54.051 1.099 18887 6235 1 11 . 1 1 35 35 LEU CB C 35 44.760 44.760 43.369 1.391 18887 6236 1 11 . 1 1 35 35 LEU H H 35 8.770 8.770 8.649 0.121 18887 6237 1 11 . 1 1 36 36 ILE N N 36 119.690 119.690 124.314 -4.624 18887 6238 1 11 . 1 1 36 36 ILE HA H 36 5.660 5.660 5.226 0.434 18887 6239 1 11 . 1 1 36 36 ILE C C 36 172.620 172.620 174.930 -2.310 18887 6240 1 11 . 1 1 36 36 ILE CA C 36 59.410 59.410 59.191 0.219 18887 6241 1 11 . 1 1 36 36 ILE CB C 36 44.340 44.340 41.074 3.266 18887 6242 1 11 . 1 1 36 36 ILE H H 36 8.390 8.390 8.584 -0.194 18887 6243 1 11 . 1 1 37 37 LYS N N 37 126.230 126.230 129.617 -3.387 18887 6244 1 11 . 1 1 37 37 LYS HA H 37 4.590 4.590 4.678 -0.088 18887 6245 1 11 . 1 1 37 37 LYS C C 37 174.340 174.340 174.885 -0.545 18887 6246 1 11 . 1 1 37 37 LYS CA C 37 57.050 57.050 54.846 2.204 18887 6247 1 11 . 1 1 37 37 LYS CB C 37 36.860 36.860 33.750 3.110 18887 6248 1 11 . 1 1 37 37 LYS H H 37 7.210 7.210 8.840 -1.630 18887 6249 1 11 . 1 1 38 38 VAL N N 38 124.270 124.270 126.150 -1.880 18887 6250 1 11 . 1 1 38 38 VAL HA H 38 4.920 4.920 4.714 0.206 18887 6251 1 11 . 1 1 38 38 VAL C C 38 174.660 174.660 175.590 -0.930 18887 6252 1 11 . 1 1 38 38 VAL CA C 38 61.420 61.420 61.161 0.259 18887 6253 1 11 . 1 1 38 38 VAL CB C 38 35.020 35.020 32.741 2.279 18887 6254 1 11 . 1 1 38 38 VAL H H 38 8.760 8.760 8.671 0.089 18887 6255 1 11 . 1 1 39 39 GLU N N 39 114.800 114.800 128.478 -13.678 18887 6256 1 11 . 1 1 39 39 GLU HA H 39 5.020 5.020 4.848 0.172 18887 6257 1 11 . 1 1 39 39 GLU C C 39 175.680 175.680 175.616 0.064 18887 6258 1 11 . 1 1 39 39 GLU CA C 39 55.680 55.680 54.720 0.960 18887 6259 1 11 . 1 1 39 39 GLU CB C 39 33.940 33.940 32.877 1.063 18887 6260 1 11 . 1 1 39 39 GLU H H 39 9.210 9.210 9.202 0.008 18887 6261 1 11 . 1 1 40 40 THR N N 40 115.120 115.120 123.247 -8.127 18887 6262 1 11 . 1 1 40 40 THR HA H 40 5.180 5.180 4.989 0.191 18887 6263 1 11 . 1 1 40 40 THR C C 40 174.200 174.200 173.167 1.033 18887 6264 1 11 . 1 1 40 40 THR CA C 40 59.710 59.710 62.068 -2.358 18887 6265 1 11 . 1 1 40 40 THR CB C 40 71.270 71.270 68.924 2.346 18887 6266 1 11 . 1 1 40 40 THR H H 40 8.500 8.500 8.777 -0.277 18887 6267 1 11 . 1 1 41 41 GLN N N 41 119.850 119.850 128.957 -9.107 18887 6268 1 11 . 1 1 41 41 GLN HA H 41 4.990 4.990 4.958 0.032 18887 6269 1 11 . 1 1 41 41 GLN C C 41 175.110 175.110 175.173 -0.063 18887 6270 1 11 . 1 1 41 41 GLN CA C 41 54.980 54.980 54.404 0.576 18887 6271 1 11 . 1 1 41 41 GLN CB C 41 29.780 29.780 31.159 -1.379 18887 6272 1 11 . 1 1 41 41 GLN H H 41 8.470 8.470 8.954 -0.484 18887 6273 1 11 . 1 1 42 42 GLY N N 42 109.530 109.530 114.092 -4.562 18887 6274 1 11 . 1 1 42 42 GLY C C 42 174.750 174.750 173.410 1.340 18887 6275 1 11 . 1 1 42 42 GLY CA C 42 45.630 45.630 44.821 0.810 18887 6276 1 11 . 1 1 42 42 GLY H H 42 7.890 7.890 8.826 -0.936 18887 6277 1 11 . 1 1 43 43 ALA N N 43 123.850 123.850 125.091 -1.241 18887 6278 1 11 . 1 1 43 43 ALA HA H 43 4.170 4.170 4.646 -0.476 18887 6279 1 11 . 1 1 43 43 ALA C C 43 169.490 169.490 177.145 -7.655 18887 6280 1 11 . 1 1 43 43 ALA CA C 43 56.170 56.170 51.866 4.304 18887 6281 1 11 . 1 1 43 43 ALA CB C 43 19.910 19.910 17.598 2.312 18887 6282 1 11 . 1 1 43 43 ALA H H 43 8.730 8.730 8.127 0.603 18887 6283 1 11 . 1 1 44 44 THR N N 44 122.380 122.380 111.450 10.930 18887 6284 1 11 . 1 1 44 44 THR HA H 44 4.390 4.390 4.056 0.334 18887 6285 1 11 . 1 1 44 44 THR C C 44 174.260 174.260 173.923 0.337 18887 6286 1 11 . 1 1 44 44 THR CA C 44 62.190 62.190 62.979 -0.789 18887 6287 1 11 . 1 1 44 44 THR CB C 44 70.080 70.080 67.481 2.599 18887 6288 1 11 . 1 1 44 44 THR H H 44 7.950 7.950 8.080 -0.130 18887 6289 1 11 . 1 1 45 45 GLY N N 45 109.360 109.360 108.077 1.283 18887 6290 1 11 . 1 1 45 45 GLY C C 45 172.380 172.380 172.162 0.218 18887 6291 1 11 . 1 1 45 45 GLY CA C 45 45.510 45.510 44.143 1.367 18887 6292 1 11 . 1 1 45 45 GLY H H 45 7.560 7.560 7.719 -0.159 18887 6293 1 11 . 1 1 46 46 ILE N N 46 122.050 122.050 120.852 1.198 18887 6294 1 11 . 1 1 46 46 ILE HA H 46 4.780 4.780 4.857 -0.077 18887 6295 1 11 . 1 1 46 46 ILE C C 46 176.010 176.010 176.001 0.009 18887 6296 1 11 . 1 1 46 46 ILE CA C 46 61.950 61.950 58.371 3.579 18887 6297 1 11 . 1 1 46 46 ILE CB C 46 40.810 40.810 38.423 2.386 18887 6298 1 11 . 1 1 46 46 ILE H H 46 8.480 8.480 8.477 0.003 18887 6299 1 11 . 1 1 47 47 GLU N N 47 109.160 109.160 128.063 -18.903 18887 6300 1 11 . 1 1 47 47 GLU HA H 47 4.660 4.660 4.229 0.431 18887 6301 1 11 . 1 1 47 47 GLU C C 47 174.750 174.750 176.442 -1.692 18887 6302 1 11 . 1 1 47 47 GLU CA C 47 55.940 55.940 58.154 -2.214 18887 6303 1 11 . 1 1 47 47 GLU CB C 47 33.640 33.640 30.934 2.706 18887 6304 1 11 . 1 1 47 47 GLU H H 47 9.000 9.000 9.189 -0.189 18887 6305 1 11 . 1 1 48 48 ASN N N 48 120.510 120.510 118.526 1.984 18887 6306 1 11 . 1 1 48 48 ASN HA H 48 4.230 4.230 4.936 -0.706 18887 6307 1 11 . 1 1 48 48 ASN C C 48 173.090 173.090 173.403 -0.313 18887 6308 1 11 . 1 1 48 48 ASN CA C 48 54.770 54.770 52.457 2.313 18887 6309 1 11 . 1 1 48 48 ASN CB C 48 38.800 38.800 39.467 -0.667 18887 6310 1 11 . 1 1 48 48 ASN H H 48 8.930 8.930 7.825 1.105 18887 6311 1 11 . 1 1 49 49 GLU N N 49 114.160 114.160 120.962 -6.802 18887 6312 1 11 . 1 1 49 49 GLU HA H 49 3.890 3.890 4.591 -0.701 18887 6313 1 11 . 1 1 49 49 GLU C C 49 177.780 177.780 176.218 1.562 18887 6314 1 11 . 1 1 49 49 GLU CA C 49 57.870 57.870 56.028 1.842 18887 6315 1 11 . 1 1 49 49 GLU CB C 49 31.900 31.900 29.823 2.078 18887 6316 1 11 . 1 1 49 49 GLU H H 49 7.690 7.690 8.318 -0.628 18887 6317 1 11 . 1 1 50 50 LEU N N 50 109.440 109.440 127.467 -18.027 18887 6318 1 11 . 1 1 50 50 LEU HA H 50 4.680 4.680 4.347 0.333 18887 6319 1 11 . 1 1 50 50 LEU C C 50 177.490 177.490 177.272 0.218 18887 6320 1 11 . 1 1 50 50 LEU CA C 50 55.520 55.520 55.075 0.445 18887 6321 1 11 . 1 1 50 50 LEU CB C 50 43.440 43.440 42.629 0.811 18887 6322 1 11 . 1 1 50 50 LEU H H 50 9.560 9.560 9.314 0.246 18887 6323 1 11 . 1 1 51 51 THR N N 51 117.490 117.490 112.651 4.839 18887 6324 1 11 . 1 1 51 51 THR HA H 51 4.420 4.420 4.582 -0.162 18887 6325 1 11 . 1 1 51 51 THR C C 51 175.010 175.010 175.209 -0.199 18887 6326 1 11 . 1 1 51 51 THR CA C 51 61.230 61.230 59.630 1.600 18887 6327 1 11 . 1 1 51 51 THR CB C 51 72.860 72.860 70.779 2.081 18887 6328 1 11 . 1 1 51 51 THR H H 51 9.380 9.380 9.285 0.095 18887 6329 1 11 . 1 1 52 52 GLU N N 52 120.490 120.490 121.613 -1.123 18887 6330 1 11 . 1 1 52 52 GLU HA H 52 3.860 3.860 4.031 -0.171 18887 6331 1 11 . 1 1 52 52 GLU C C 52 178.660 178.660 178.496 0.164 18887 6332 1 11 . 1 1 52 52 GLU CA C 52 61.130 61.130 60.675 0.455 18887 6333 1 11 . 1 1 52 52 GLU CB C 52 30.280 30.280 29.132 1.148 18887 6334 1 11 . 1 1 52 52 GLU H H 52 8.910 8.910 8.778 0.132 18887 6335 1 11 . 1 1 53 53 LYS N N 53 118.660 118.660 115.852 2.808 18887 6336 1 11 . 1 1 53 53 LYS HA H 53 4.020 4.020 4.027 -0.007 18887 6337 1 11 . 1 1 53 53 LYS C C 53 178.190 178.190 178.618 -0.428 18887 6338 1 11 . 1 1 53 53 LYS CA C 53 60.390 60.390 59.072 1.318 18887 6339 1 11 . 1 1 53 53 LYS CB C 53 33.210 33.210 31.825 1.385 18887 6340 1 11 . 1 1 53 53 LYS H H 53 7.890 7.890 8.347 -0.457 18887 6341 1 11 . 1 1 54 54 ASP N N 54 118.400 118.400 120.745 -2.345 18887 6342 1 11 . 1 1 54 54 ASP HA H 54 4.200 4.200 4.467 -0.267 18887 6343 1 11 . 1 1 54 54 ASP C C 54 169.070 169.070 178.573 -9.503 18887 6344 1 11 . 1 1 54 54 ASP CA C 54 58.300 58.300 56.961 1.339 18887 6345 1 11 . 1 1 54 54 ASP CB C 54 43.110 43.110 40.592 2.518 18887 6346 1 11 . 1 1 54 54 ASP H H 54 7.440 7.440 7.653 -0.213 18887 6347 1 11 . 1 1 55 55 VAL N N 55 118.420 118.420 119.998 -1.578 18887 6348 1 11 . 1 1 55 55 VAL HA H 55 3.520 3.520 3.778 -0.258 18887 6349 1 11 . 1 1 55 55 VAL C C 55 176.980 176.980 177.174 -0.194 18887 6350 1 11 . 1 1 55 55 VAL CA C 55 66.950 66.950 66.664 0.286 18887 6351 1 11 . 1 1 55 55 VAL CB C 55 32.360 32.360 31.813 0.547 18887 6352 1 11 . 1 1 55 55 VAL H H 55 8.150 8.150 7.888 0.262 18887 6353 1 11 . 1 1 56 56 ASN N N 56 117.100 117.100 115.029 2.071 18887 6354 1 11 . 1 1 56 56 ASN HA H 56 4.410 4.410 4.584 -0.174 18887 6355 1 11 . 1 1 56 56 ASN C C 56 177.330 177.330 176.365 0.965 18887 6356 1 11 . 1 1 56 56 ASN CA C 56 57.170 57.170 54.711 2.459 18887 6357 1 11 . 1 1 56 56 ASN CB C 56 39.930 39.930 38.734 1.196 18887 6358 1 11 . 1 1 56 56 ASN H H 56 8.000 8.000 8.005 -0.005 18887 6359 1 11 . 1 1 57 57 ILE N N 57 115.580 115.580 117.821 -2.241 18887 6360 1 11 . 1 1 57 57 ILE HA H 57 3.950 3.950 4.061 -0.111 18887 6361 1 11 . 1 1 57 57 ILE C C 57 176.980 176.980 176.651 0.329 18887 6362 1 11 . 1 1 57 57 ILE CA C 57 63.240 63.240 62.302 0.938 18887 6363 1 11 . 1 1 57 57 ILE CB C 57 39.890 39.890 38.700 1.190 18887 6364 1 11 . 1 1 57 57 ILE H H 57 7.600 7.600 7.078 0.522 18887 6365 1 11 . 1 1 58 58 GLY N N 58 124.080 124.080 107.579 16.501 18887 6366 1 11 . 1 1 58 58 GLY C C 58 173.190 173.190 174.688 -1.498 18887 6367 1 11 . 1 1 58 58 GLY CA C 58 47.110 47.110 45.146 1.964 18887 6368 1 11 . 1 1 58 58 GLY H H 58 7.630 7.630 8.029 -0.399 18887 6369 1 11 . 1 1 59 59 GLU N N 59 123.240 123.240 125.224 -1.984 18887 6370 1 11 . 1 1 59 59 GLU HA H 59 4.240 4.240 4.286 -0.046 18887 6371 1 11 . 1 1 59 59 GLU C C 59 176.750 176.750 176.698 0.052 18887 6372 1 11 . 1 1 59 59 GLU CA C 59 59.830 59.830 58.902 0.928 18887 6373 1 11 . 1 1 59 59 GLU CB C 59 33.100 33.100 30.277 2.823 18887 6374 1 11 . 1 1 59 59 GLU H H 59 9.350 9.350 8.830 0.520 18887 6375 1 11 . 1 1 60 60 VAL N N 60 114.370 114.370 112.132 2.238 18887 6376 1 11 . 1 1 60 60 VAL HA H 60 4.410 4.410 4.918 -0.508 18887 6377 1 11 . 1 1 60 60 VAL C C 60 170.270 170.270 174.378 -4.108 18887 6378 1 11 . 1 1 60 60 VAL CA C 60 60.710 60.710 59.461 1.249 18887 6379 1 11 . 1 1 60 60 VAL CB C 60 35.150 35.150 34.405 0.745 18887 6380 1 11 . 1 1 60 60 VAL H H 60 7.640 7.640 7.315 0.325 18887 6381 1 11 . 1 1 61 61 VAL N N 61 125.780 125.780 122.241 3.539 18887 6382 1 11 . 1 1 61 61 VAL HA H 61 4.970 4.970 5.004 -0.034 18887 6383 1 11 . 1 1 61 61 VAL C C 61 174.450 174.450 175.068 -0.618 18887 6384 1 11 . 1 1 61 61 VAL CA C 61 60.260 60.260 59.548 0.711 18887 6385 1 11 . 1 1 61 61 VAL CB C 61 34.710 34.710 32.734 1.976 18887 6386 1 11 . 1 1 61 61 VAL H H 61 8.290 8.290 8.823 -0.533 18887 6387 1 11 . 1 1 62 62 ILE N N 62 124.740 124.740 128.336 -3.596 18887 6388 1 11 . 1 1 62 62 ILE HA H 62 4.820 4.820 4.553 0.267 18887 6389 1 11 . 1 1 62 62 ILE C C 62 175.020 175.020 174.338 0.682 18887 6390 1 11 . 1 1 62 62 ILE CA C 62 60.490 60.490 59.812 0.678 18887 6391 1 11 . 1 1 62 62 ILE CB C 62 42.560 42.560 39.457 3.103 18887 6392 1 11 . 1 1 62 62 ILE H H 62 8.580 8.580 8.297 0.283 18887 6393 1 11 . 1 1 63 63 PHE N N 63 109.510 109.510 126.936 -17.426 18887 6394 1 11 . 1 1 63 63 PHE HA H 63 5.490 5.490 5.173 0.317 18887 6395 1 11 . 1 1 63 63 PHE C C 63 173.600 173.600 174.377 -0.777 18887 6396 1 11 . 1 1 63 63 PHE CA C 63 53.020 53.020 56.057 -3.037 18887 6397 1 11 . 1 1 63 63 PHE CB C 63 40.150 40.150 41.532 -1.382 18887 6398 1 11 . 1 1 63 63 PHE H H 63 9.320 9.320 9.168 0.152 18887 6399 1 11 . 1 1 64 64 ALA N N 64 112.790 112.790 128.538 -15.748 18887 6400 1 11 . 1 1 64 64 ALA HA H 64 5.430 5.430 5.527 -0.097 18887 6401 1 11 . 1 1 64 64 ALA C C 64 175.040 175.040 175.657 -0.617 18887 6402 1 11 . 1 1 64 64 ALA CA C 64 50.740 50.740 50.109 0.631 18887 6403 1 11 . 1 1 64 64 ALA CB C 64 19.690 19.690 19.913 -0.223 18887 6404 1 11 . 1 1 64 64 ALA H H 64 8.840 8.840 9.155 -0.315 18887 6405 1 11 . 1 1 65 65 VAL N N 65 110.260 110.260 119.923 -9.663 18887 6406 1 11 . 1 1 65 65 VAL HA H 65 5.690 5.690 5.451 0.239 18887 6407 1 11 . 1 1 65 65 VAL C C 65 175.380 175.380 174.646 0.734 18887 6408 1 11 . 1 1 65 65 VAL CA C 65 59.060 59.060 60.144 -1.084 18887 6409 1 11 . 1 1 65 65 VAL CB C 65 38.800 38.800 35.302 3.498 18887 6410 1 11 . 1 1 65 65 VAL H H 65 8.080 8.080 7.599 0.481 18887 6411 1 11 . 1 1 66 66 ASP N N 66 119.250 119.250 125.528 -6.278 18887 6412 1 11 . 1 1 66 66 ASP HA H 66 4.870 4.870 4.835 0.035 18887 6413 1 11 . 1 1 66 66 ASP C C 66 175.600 175.600 176.168 -0.568 18887 6414 1 11 . 1 1 66 66 ASP CA C 66 53.780 53.780 55.063 -1.283 18887 6415 1 11 . 1 1 66 66 ASP CB C 66 42.910 42.910 42.589 0.321 18887 6416 1 11 . 1 1 66 66 ASP H H 66 7.760 7.760 9.139 -1.379 18887 6417 1 11 . 1 1 67 67 THR N N 67 112.330 112.330 113.520 -1.190 18887 6418 1 11 . 1 1 67 67 THR HA H 67 4.510 4.510 4.509 0.001 18887 6419 1 11 . 1 1 67 67 THR C C 67 172.370 172.370 173.037 -0.667 18887 6420 1 11 . 1 1 67 67 THR CA C 67 59.650 59.650 60.699 -1.049 18887 6421 1 11 . 1 1 67 67 THR CB C 67 70.230 70.230 70.451 -0.221 18887 6422 1 11 . 1 1 67 67 THR H H 67 7.070 7.070 7.596 -0.526 18887 6423 1 11 . 1 1 68 68 LYS N N 68 121.380 121.380 121.653 -0.273 18887 6424 1 11 . 1 1 68 68 LYS HA H 68 4.080 4.080 4.397 -0.317 18887 6425 1 11 . 1 1 68 68 LYS C C 68 176.250 176.250 175.935 0.315 18887 6426 1 11 . 1 1 68 68 LYS CA C 68 57.470 57.470 55.586 1.884 18887 6427 1 11 . 1 1 68 68 LYS CB C 68 34.020 34.020 33.133 0.887 18887 6428 1 11 . 1 1 68 68 LYS H H 68 7.540 7.540 8.295 -0.755 18887 6429 1 11 . 1 1 69 69 VAL N N 69 125.310 125.310 117.734 7.576 18887 6430 1 11 . 1 1 69 69 VAL HA H 69 3.320 3.320 4.891 -1.571 18887 6431 1 11 . 1 1 69 69 VAL C C 69 175.890 175.890 176.939 -1.049 18887 6432 1 11 . 1 1 69 69 VAL CA C 69 64.110 64.110 60.056 4.054 18887 6433 1 11 . 1 1 69 69 VAL CB C 69 33.810 33.810 35.072 -1.262 18887 6434 1 11 . 1 1 69 69 VAL H H 69 8.320 8.320 8.067 0.253 18887 6435 1 11 . 1 1 70 70 ARG N N 70 111.240 111.240 124.185 -12.945 18887 6436 1 11 . 1 1 70 70 ARG HA H 70 4.160 4.160 4.195 -0.035 18887 6437 1 11 . 1 1 70 70 ARG C C 70 177.030 177.030 177.712 -0.682 18887 6438 1 11 . 1 1 70 70 ARG CA C 70 57.630 57.630 58.774 -1.144 18887 6439 1 11 . 1 1 70 70 ARG CB C 70 31.440 31.440 30.178 1.262 18887 6440 1 11 . 1 1 70 70 ARG H H 70 9.580 9.580 8.759 0.821 18887 6441 1 11 . 1 1 71 71 ASN N N 71 120.660 120.660 117.967 2.693 18887 6442 1 11 . 1 1 71 71 ASN HA H 71 4.670 4.670 4.659 0.011 18887 6443 1 11 . 1 1 71 71 ASN C C 71 177.530 177.530 176.106 1.424 18887 6444 1 11 . 1 1 71 71 ASN CA C 71 54.770 54.770 54.297 0.473 18887 6445 1 11 . 1 1 71 71 ASN CB C 71 37.130 37.130 38.142 -1.012 18887 6446 1 11 . 1 1 71 71 ASN H H 71 9.170 9.170 8.646 0.524 18887 6447 1 11 . 1 1 72 72 LYS N N 72 120.730 120.730 120.789 -0.059 18887 6448 1 11 . 1 1 72 72 LYS HA H 72 4.010 4.010 4.548 -0.538 18887 6449 1 11 . 1 1 72 72 LYS C C 72 177.790 177.790 177.915 -0.125 18887 6450 1 11 . 1 1 72 72 LYS CA C 72 59.910 59.910 59.117 0.793 18887 6451 1 11 . 1 1 72 72 LYS CB C 72 33.260 33.260 32.469 0.791 18887 6452 1 11 . 1 1 72 72 LYS H H 72 8.400 8.400 7.892 0.508 18887 6453 1 11 . 1 1 73 73 GLU N N 73 122.670 122.670 118.824 3.846 18887 6454 1 11 . 1 1 73 73 GLU HA H 73 4.160 4.160 3.952 0.208 18887 6455 1 11 . 1 1 73 73 GLU C C 73 177.620 177.620 178.343 -0.723 18887 6456 1 11 . 1 1 73 73 GLU CA C 73 60.380 60.380 59.270 1.110 18887 6457 1 11 . 1 1 73 73 GLU CB C 73 28.660 28.660 29.422 -0.762 18887 6458 1 11 . 1 1 73 73 GLU H H 73 9.960 9.960 7.714 2.246 18887 6459 1 11 . 1 1 74 74 ARG N N 74 117.370 117.370 116.666 0.704 18887 6460 1 11 . 1 1 74 74 ARG HA H 74 3.770 3.770 4.155 -0.385 18887 6461 1 11 . 1 1 74 74 ARG C C 74 177.380 177.380 178.720 -1.340 18887 6462 1 11 . 1 1 74 74 ARG CA C 74 59.010 59.010 58.163 0.847 18887 6463 1 11 . 1 1 74 74 ARG CB C 74 32.720 32.720 29.878 2.842 18887 6464 1 11 . 1 1 74 74 ARG H H 74 6.830 6.830 7.293 -0.463 18887 6465 1 11 . 1 1 75 75 PHE N N 75 112.920 112.920 119.333 -6.413 18887 6466 1 11 . 1 1 75 75 PHE HA H 75 4.280 4.280 4.475 -0.195 18887 6467 1 11 . 1 1 75 75 PHE C C 75 174.870 174.870 177.378 -2.508 18887 6468 1 11 . 1 1 75 75 PHE CA C 75 57.370 57.370 58.680 -1.310 18887 6469 1 11 . 1 1 75 75 PHE CB C 75 39.380 39.380 37.842 1.538 18887 6470 1 11 . 1 1 75 75 PHE H H 75 7.670 7.670 7.255 0.415 18887 6471 1 11 . 1 1 76 76 ASP N N 76 121.780 121.780 121.557 0.223 18887 6472 1 11 . 1 1 76 76 ASP HA H 76 4.380 4.380 4.490 -0.110 18887 6473 1 11 . 1 1 76 76 ASP C C 76 177.380 177.380 177.769 -0.389 18887 6474 1 11 . 1 1 76 76 ASP CA C 76 57.700 57.700 56.591 1.109 18887 6475 1 11 . 1 1 76 76 ASP CB C 76 41.270 41.270 40.941 0.329 18887 6476 1 11 . 1 1 76 76 ASP H H 76 7.210 7.210 7.887 -0.677 18887 6477 1 11 . 1 1 77 77 GLY N N 77 111.910 111.910 106.939 4.971 18887 6478 1 11 . 1 1 77 77 GLY C C 77 174.310 174.310 173.624 0.686 18887 6479 1 11 . 1 1 77 77 GLY CA C 77 46.290 46.290 45.035 1.255 18887 6480 1 11 . 1 1 77 77 GLY H H 77 8.920 8.920 7.848 1.072 18887 6481 1 11 . 1 1 78 78 LYS N N 78 117.910 117.910 119.285 -1.375 18887 6482 1 11 . 1 1 78 78 LYS HA H 78 4.540 4.540 4.787 -0.247 18887 6483 1 11 . 1 1 78 78 LYS C C 78 175.910 175.910 175.320 0.590 18887 6484 1 11 . 1 1 78 78 LYS CA C 78 53.410 53.410 54.657 -1.247 18887 6485 1 11 . 1 1 78 78 LYS CB C 78 32.780 32.780 36.300 -3.520 18887 6486 1 11 . 1 1 78 78 LYS H H 78 7.700 7.700 7.546 0.154 18887 6487 1 11 . 1 1 79 79 VAL N N 79 124.500 124.500 122.229 2.271 18887 6488 1 11 . 1 1 79 79 VAL HA H 79 3.850 3.850 4.315 -0.465 18887 6489 1 11 . 1 1 79 79 VAL C C 79 174.140 174.140 174.784 -0.644 18887 6490 1 11 . 1 1 79 79 VAL CA C 79 64.810 64.810 61.568 3.242 18887 6491 1 11 . 1 1 79 79 VAL CB C 79 32.390 32.390 30.875 1.514 18887 6492 1 11 . 1 1 79 79 VAL H H 79 8.890 8.890 8.747 0.143 18887 6493 1 11 . 1 1 80 80 VAL N N 80 125.810 125.810 123.779 2.031 18887 6494 1 11 . 1 1 80 80 VAL HA H 80 4.690 4.690 5.269 -0.579 18887 6495 1 11 . 1 1 80 80 VAL C C 80 175.270 175.270 174.497 0.773 18887 6496 1 11 . 1 1 80 80 VAL CA C 80 60.670 60.670 59.183 1.487 18887 6497 1 11 . 1 1 80 80 VAL CB C 80 35.970 35.970 35.613 0.357 18887 6498 1 11 . 1 1 80 80 VAL H H 80 7.860 7.860 8.277 -0.417 18887 6499 1 11 . 1 1 81 81 LEU N N 81 110.550 110.550 124.468 -13.918 18887 6500 1 11 . 1 1 81 81 LEU HA H 81 4.490 4.490 4.799 -0.309 18887 6501 1 11 . 1 1 81 81 LEU C C 81 173.930 173.930 174.844 -0.914 18887 6502 1 11 . 1 1 81 81 LEU CA C 81 54.410 54.410 54.731 -0.321 18887 6503 1 11 . 1 1 81 81 LEU CB C 81 45.100 45.100 44.225 0.875 18887 6504 1 11 . 1 1 81 81 LEU H H 81 8.790 8.790 9.073 -0.283 18887 6505 1 11 . 1 1 82 82 GLU N N 82 111.070 111.070 128.360 -17.290 18887 6506 1 11 . 1 1 82 82 GLU HA H 82 5.460 5.460 5.264 0.196 18887 6507 1 11 . 1 1 82 82 GLU C C 82 175.440 175.440 175.344 0.096 18887 6508 1 11 . 1 1 82 82 GLU CA C 82 56.010 56.010 55.274 0.736 18887 6509 1 11 . 1 1 82 82 GLU CB C 82 32.100 32.100 31.235 0.865 18887 6510 1 11 . 1 1 82 82 GLU H H 82 8.750 8.750 8.735 0.015 18887 6511 1 11 . 1 1 83 83 VAL N N 83 119.980 119.980 120.467 -0.487 18887 6512 1 11 . 1 1 83 83 VAL HA H 83 4.950 4.950 4.810 0.140 18887 6513 1 11 . 1 1 83 83 VAL C C 83 172.120 172.120 173.470 -1.350 18887 6514 1 11 . 1 1 83 83 VAL CA C 83 58.760 58.760 58.228 0.532 18887 6515 1 11 . 1 1 83 83 VAL CB C 83 34.570 34.570 33.980 0.590 18887 6516 1 11 . 1 1 83 83 VAL H H 83 9.390 9.390 9.056 0.334 18887 6517 1 11 . 1 1 84 84 PRO HA H 84 4.740 4.740 4.510 0.230 18887 6518 1 11 . 1 1 84 84 PRO C C 84 178.300 178.300 178.144 0.156 18887 6519 1 11 . 1 1 84 84 PRO CA C 84 63.330 63.330 62.699 0.631 18887 6520 1 11 . 1 1 84 84 PRO CB C 84 33.430 33.430 32.270 1.160 18887 6521 1 11 . 1 1 85 85 VAL N N 85 122.390 122.390 122.539 -0.149 18887 6522 1 11 . 1 1 85 85 VAL HA H 85 3.320 3.320 3.750 -0.430 18887 6523 1 11 . 1 1 85 85 VAL C C 85 174.190 174.190 176.936 -2.746 18887 6524 1 11 . 1 1 85 85 VAL CA C 85 66.540 66.540 64.913 1.627 18887 6525 1 11 . 1 1 85 85 VAL CB C 85 32.970 32.970 32.141 0.830 18887 6526 1 11 . 1 1 85 85 VAL H H 85 7.240 7.240 8.588 -1.348 18887 6527 1 11 . 1 1 86 86 SER N N 86 125.590 125.590 112.882 12.708 18887 6528 1 11 . 1 1 86 86 SER HA H 86 4.020 4.020 4.218 -0.198 18887 6529 1 11 . 1 1 86 86 SER C C 86 176.940 176.940 175.979 0.961 18887 6530 1 11 . 1 1 86 86 SER CA C 86 60.200 60.200 59.908 0.292 18887 6531 1 11 . 1 1 86 86 SER CB C 86 64.060 64.060 63.104 0.956 18887 6532 1 11 . 1 1 86 86 SER H H 86 7.600 7.600 8.129 -0.529 18887 6533 1 11 . 1 1 87 87 ALA N N 87 125.200 125.200 124.491 0.709 18887 6534 1 11 . 1 1 87 87 ALA HA H 87 4.280 4.280 4.243 0.037 18887 6535 1 11 . 1 1 87 87 ALA C C 87 177.370 177.370 175.970 1.400 18887 6536 1 11 . 1 1 87 87 ALA CA C 87 57.600 57.600 56.287 1.313 18887 6537 1 11 . 1 1 87 87 ALA CB C 87 16.620 16.620 16.722 -0.102 18887 6538 1 11 . 1 1 87 87 ALA H H 87 7.870 7.870 7.671 0.199 18887 6539 1 11 . 1 1 88 88 PRO HA H 88 4.000 4.000 4.320 -0.320 18887 6540 1 11 . 1 1 88 88 PRO C C 88 175.090 175.090 176.600 -1.510 18887 6541 1 11 . 1 1 88 88 PRO CA C 88 65.410 65.410 64.471 0.939 18887 6542 1 11 . 1 1 88 88 PRO CB C 88 32.130 32.130 31.115 1.015 18887 6543 1 11 . 1 1 89 89 ILE N N 89 114.700 114.700 115.728 -1.028 18887 6544 1 11 . 1 1 89 89 ILE HA H 89 3.310 3.310 3.875 -0.565 18887 6545 1 11 . 1 1 89 89 ILE C C 89 177.850 177.850 177.432 0.418 18887 6546 1 11 . 1 1 89 89 ILE CA C 89 66.320 66.320 63.824 2.497 18887 6547 1 11 . 1 1 89 89 ILE CB C 89 38.790 38.790 38.276 0.514 18887 6548 1 11 . 1 1 89 89 ILE H H 89 6.300 6.300 7.295 -0.995 18887 6549 1 11 . 1 1 90 90 LYS N N 90 118.530 118.530 117.319 1.211 18887 6550 1 11 . 1 1 90 90 LYS HA H 90 4.060 4.060 4.317 -0.257 18887 6551 1 11 . 1 1 90 90 LYS C C 90 177.390 177.390 177.507 -0.117 18887 6552 1 11 . 1 1 90 90 LYS CA C 90 59.710 59.710 57.354 2.356 18887 6553 1 11 . 1 1 90 90 LYS CB C 90 33.940 33.940 33.476 0.464 18887 6554 1 11 . 1 1 90 90 LYS H H 90 7.440 7.440 7.522 -0.082 18887 6555 1 11 . 1 1 91 91 ASP N N 91 114.670 114.670 121.649 -6.979 18887 6556 1 11 . 1 1 91 91 ASP HA H 91 4.530 4.530 4.945 -0.415 18887 6557 1 11 . 1 1 91 91 ASP C C 91 174.350 174.350 175.639 -1.289 18887 6558 1 11 . 1 1 91 91 ASP CA C 91 55.120 55.120 53.495 1.625 18887 6559 1 11 . 1 1 91 91 ASP CB C 91 41.530 41.530 41.340 0.190 18887 6560 1 11 . 1 1 91 91 ASP H H 91 7.700 7.700 7.931 -0.231 18887 6561 1 11 . 1 1 92 92 ALA N N 92 111.350 111.350 123.004 -11.654 18887 6562 1 11 . 1 1 92 92 ALA HA H 92 3.830 3.830 3.930 -0.100 18887 6563 1 11 . 1 1 92 92 ALA C C 92 169.330 169.330 179.073 -9.743 18887 6564 1 11 . 1 1 92 92 ALA CA C 92 57.220 57.220 55.832 1.388 18887 6565 1 11 . 1 1 92 92 ALA CB C 92 20.700 20.700 18.788 1.912 18887 6566 1 11 . 1 1 92 92 ALA H H 92 8.860 8.860 8.306 0.554 18887 6567 1 11 . 1 1 93 93 GLU N N 93 117.860 117.860 117.524 0.336 18887 6568 1 11 . 1 1 93 93 GLU HA H 93 3.860 3.860 3.971 -0.111 18887 6569 1 11 . 1 1 93 93 GLU C C 93 177.970 177.970 178.584 -0.614 18887 6570 1 11 . 1 1 93 93 GLU CA C 93 61.240 61.240 60.194 1.046 18887 6571 1 11 . 1 1 93 93 GLU CB C 93 30.570 30.570 28.933 1.637 18887 6572 1 11 . 1 1 93 93 GLU H H 93 8.520 8.520 8.642 -0.122 18887 6573 1 11 . 1 1 94 94 LYS N N 94 119.790 119.790 120.160 -0.370 18887 6574 1 11 . 1 1 94 94 LYS HA H 94 3.930 3.930 4.098 -0.168 18887 6575 1 11 . 1 1 94 94 LYS C C 94 169.840 169.840 178.846 -9.006 18887 6576 1 11 . 1 1 94 94 LYS CA C 94 60.600 60.600 59.141 1.459 18887 6577 1 11 . 1 1 94 94 LYS CB C 94 33.550 33.550 32.160 1.390 18887 6578 1 11 . 1 1 94 94 LYS H H 94 7.670 7.670 7.338 0.332 18887 6579 1 11 . 1 1 95 95 VAL N N 95 118.850 118.850 120.338 -1.488 18887 6580 1 11 . 1 1 95 95 VAL HA H 95 3.590 3.590 3.641 -0.051 18887 6581 1 11 . 1 1 95 95 VAL C C 95 176.620 176.620 177.990 -1.370 18887 6582 1 11 . 1 1 95 95 VAL CA C 95 67.220 67.220 66.836 0.384 18887 6583 1 11 . 1 1 95 95 VAL CB C 95 32.880 32.880 31.605 1.276 18887 6584 1 11 . 1 1 95 95 VAL H H 95 7.150 7.150 8.266 -1.116 18887 6585 1 11 . 1 1 96 96 ILE N N 96 119.120 119.120 120.511 -1.391 18887 6586 1 11 . 1 1 96 96 ILE HA H 96 3.380 3.380 3.508 -0.128 18887 6587 1 11 . 1 1 96 96 ILE C C 96 177.750 177.750 177.923 -0.173 18887 6588 1 11 . 1 1 96 96 ILE CA C 96 67.190 67.190 65.678 1.512 18887 6589 1 11 . 1 1 96 96 ILE CB C 96 38.440 38.440 37.352 1.088 18887 6590 1 11 . 1 1 96 96 ILE H H 96 8.380 8.380 7.948 0.432 18887 6591 1 11 . 1 1 97 97 ASN N N 97 117.000 117.000 118.505 -1.505 18887 6592 1 11 . 1 1 97 97 ASN HA H 97 4.420 4.420 4.418 0.002 18887 6593 1 11 . 1 1 97 97 ASN C C 97 178.380 178.380 177.742 0.638 18887 6594 1 11 . 1 1 97 97 ASN CA C 97 57.430 57.430 56.244 1.186 18887 6595 1 11 . 1 1 97 97 ASN CB C 97 39.030 39.030 37.959 1.071 18887 6596 1 11 . 1 1 97 97 ASN H H 97 8.730 8.730 8.425 0.305 18887 6597 1 11 . 1 1 98 98 ALA N N 98 123.790 123.790 122.602 1.188 18887 6598 1 11 . 1 1 98 98 ALA HA H 98 4.100 4.100 4.110 -0.010 18887 6599 1 11 . 1 1 98 98 ALA C C 98 169.600 169.600 179.347 -9.747 18887 6600 1 11 . 1 1 98 98 ALA CA C 98 55.890 55.890 55.010 0.880 18887 6601 1 11 . 1 1 98 98 ALA CB C 98 18.850 18.850 18.252 0.598 18887 6602 1 11 . 1 1 98 98 ALA H H 98 7.950 7.950 8.180 -0.230 18887 6603 1 11 . 1 1 99 99 ALA N N 99 122.120 122.120 121.026 1.094 18887 6604 1 11 . 1 1 99 99 ALA HA H 99 3.930 3.930 4.007 -0.077 18887 6605 1 11 . 1 1 99 99 ALA C C 99 178.700 178.700 180.168 -1.468 18887 6606 1 11 . 1 1 99 99 ALA CA C 99 55.920 55.920 54.578 1.342 18887 6607 1 11 . 1 1 99 99 ALA CB C 99 18.960 18.960 18.551 0.409 18887 6608 1 11 . 1 1 99 99 ALA H H 99 7.930 7.930 7.678 0.252 18887 6609 1 11 . 1 1 100 100 LEU N N 100 115.870 115.870 119.221 -3.351 18887 6610 1 11 . 1 1 100 100 LEU HA H 100 3.900 3.900 3.894 0.006 18887 6611 1 11 . 1 1 100 100 LEU C C 100 169.150 169.150 178.564 -9.414 18887 6612 1 11 . 1 1 100 100 LEU CA C 100 58.140 58.140 57.615 0.525 18887 6613 1 11 . 1 1 100 100 LEU CB C 100 41.730 41.730 41.627 0.103 18887 6614 1 11 . 1 1 100 100 LEU H H 100 8.220 8.220 8.146 0.074 18887 6615 1 11 . 1 1 101 101 ALA N N 101 120.410 120.410 121.087 -0.677 18887 6616 1 11 . 1 1 101 101 ALA HA H 101 4.100 4.100 4.137 -0.037 18887 6617 1 11 . 1 1 101 101 ALA C C 101 169.730 169.730 178.807 -9.077 18887 6618 1 11 . 1 1 101 101 ALA CA C 101 55.680 55.680 54.622 1.058 18887 6619 1 11 . 1 1 101 101 ALA CB C 101 18.860 18.860 18.271 0.589 18887 6620 1 11 . 1 1 101 101 ALA H H 101 7.970 7.970 7.852 0.118 18887 6621 1 11 . 1 1 102 102 LEU N N 102 115.090 115.090 118.830 -3.740 18887 6622 1 11 . 1 1 102 102 LEU HA H 102 4.120 4.120 4.081 0.039 18887 6623 1 11 . 1 1 102 102 LEU C C 102 169.060 169.060 178.224 -9.164 18887 6624 1 11 . 1 1 102 102 LEU CA C 102 57.870 57.870 57.062 0.808 18887 6625 1 11 . 1 1 102 102 LEU CB C 102 43.730 43.730 42.256 1.474 18887 6626 1 11 . 1 1 102 102 LEU H H 102 7.330 7.330 7.664 -0.334 18887 6627 1 11 . 1 1 103 103 ILE N N 103 110.170 110.170 112.492 -2.322 18887 6628 1 11 . 1 1 103 103 ILE HA H 103 4.430 4.430 4.315 0.115 18887 6629 1 11 . 1 1 103 103 ILE C C 103 176.670 176.670 176.775 -0.105 18887 6630 1 11 . 1 1 103 103 ILE CA C 103 62.520 62.520 61.843 0.677 18887 6631 1 11 . 1 1 103 103 ILE CB C 103 40.020 40.020 39.876 0.145 18887 6632 1 11 . 1 1 103 103 ILE H H 103 7.140 7.140 7.543 -0.403 18887 6633 1 11 . 1 1 104 104 ASP N N 104 122.560 122.560 119.088 3.472 18887 6634 1 11 . 1 1 104 104 ASP HA H 104 4.650 4.650 4.784 -0.134 18887 6635 1 11 . 1 1 104 104 ASP C C 104 176.670 176.670 176.199 0.471 18887 6636 1 11 . 1 1 104 104 ASP CA C 104 56.220 56.220 54.572 1.648 18887 6637 1 11 . 1 1 104 104 ASP CB C 104 42.080 42.080 43.356 -1.276 18887 6638 1 11 . 1 1 104 104 ASP H H 104 8.000 8.000 8.278 -0.278 18887 6639 1 11 . 1 1 105 105 GLU N N 105 120.750 120.750 117.452 3.298 18887 6640 1 11 . 1 1 105 105 GLU HA H 105 4.300 4.300 4.201 0.099 18887 6641 1 11 . 1 1 105 105 GLU C C 105 175.470 175.470 174.622 0.848 18887 6642 1 11 . 1 1 105 105 GLU CA C 105 57.640 57.640 57.222 0.418 18887 6643 1 11 . 1 1 105 105 GLU CB C 105 30.870 30.870 31.505 -0.635 18887 6644 1 11 . 1 1 105 105 GLU H H 105 8.030 8.030 8.324 -0.294 18887 6645 1 12 . 1 1 2 2 LYS N N 2 120.950 120.950 124.300 -3.350 18887 6646 1 12 . 1 1 2 2 LYS HA H 2 4.330 4.330 4.444 -0.114 18887 6647 1 12 . 1 1 2 2 LYS C C 2 176.040 176.040 175.951 0.089 18887 6648 1 12 . 1 1 2 2 LYS CA C 2 57.850 57.850 56.620 1.230 18887 6649 1 12 . 1 1 2 2 LYS CB C 2 33.480 33.480 32.448 1.032 18887 6650 1 12 . 1 1 2 2 LYS H H 2 8.220 8.220 8.371 -0.151 18887 6651 1 12 . 1 1 3 3 ARG N N 3 120.340 120.340 125.196 -4.856 18887 6652 1 12 . 1 1 3 3 ARG HA H 3 4.660 4.660 4.439 0.221 18887 6653 1 12 . 1 1 3 3 ARG C C 3 175.960 175.960 174.589 1.371 18887 6654 1 12 . 1 1 3 3 ARG CA C 3 53.810 53.810 54.898 -1.088 18887 6655 1 12 . 1 1 3 3 ARG CB C 3 29.710 29.710 33.500 -3.790 18887 6656 1 12 . 1 1 3 3 ARG H H 3 8.220 8.220 8.321 -0.101 18887 6657 1 12 . 1 1 4 4 LYS N N 4 121.540 121.540 126.115 -4.575 18887 6658 1 12 . 1 1 4 4 LYS HA H 4 4.770 4.770 4.974 -0.204 18887 6659 1 12 . 1 1 4 4 LYS C C 4 174.820 174.820 176.140 -1.320 18887 6660 1 12 . 1 1 4 4 LYS CA C 4 57.230 57.230 55.481 1.749 18887 6661 1 12 . 1 1 4 4 LYS CB C 4 33.800 33.800 32.377 1.423 18887 6662 1 12 . 1 1 4 4 LYS H H 4 8.880 8.880 8.669 0.211 18887 6663 1 12 . 1 1 5 5 ILE N N 5 125.030 125.030 126.647 -1.617 18887 6664 1 12 . 1 1 5 5 ILE HA H 5 4.530 4.530 4.803 -0.273 18887 6665 1 12 . 1 1 5 5 ILE C C 5 175.420 175.420 174.714 0.706 18887 6666 1 12 . 1 1 5 5 ILE CA C 5 61.120 61.120 60.329 0.791 18887 6667 1 12 . 1 1 5 5 ILE CB C 5 41.880 41.880 40.461 1.419 18887 6668 1 12 . 1 1 5 5 ILE H H 5 8.760 8.760 8.772 -0.012 18887 6669 1 12 . 1 1 6 6 ILE N N 6 119.270 119.270 124.427 -5.157 18887 6670 1 12 . 1 1 6 6 ILE HA H 6 5.440 5.440 5.291 0.149 18887 6671 1 12 . 1 1 6 6 ILE C C 6 173.880 173.880 174.129 -0.249 18887 6672 1 12 . 1 1 6 6 ILE CA C 6 60.480 60.480 58.233 2.247 18887 6673 1 12 . 1 1 6 6 ILE CB C 6 42.120 42.120 37.758 4.362 18887 6674 1 12 . 1 1 6 6 ILE H H 6 8.110 8.110 8.349 -0.239 18887 6675 1 12 . 1 1 7 7 ALA N N 7 122.330 122.330 130.397 -8.067 18887 6676 1 12 . 1 1 7 7 ALA HA H 7 5.780 5.780 5.174 0.606 18887 6677 1 12 . 1 1 7 7 ALA C C 7 173.950 173.950 175.554 -1.604 18887 6678 1 12 . 1 1 7 7 ALA CA C 7 51.280 51.280 49.971 1.309 18887 6679 1 12 . 1 1 7 7 ALA CB C 7 25.930 25.930 22.423 3.507 18887 6680 1 12 . 1 1 7 7 ALA H H 7 8.790 8.790 8.890 -0.100 18887 6681 1 12 . 1 1 8 8 VAL N N 8 119.860 119.860 125.340 -5.480 18887 6682 1 12 . 1 1 8 8 VAL HA H 8 5.190 5.190 4.756 0.434 18887 6683 1 12 . 1 1 8 8 VAL C C 8 175.590 175.590 175.413 0.177 18887 6684 1 12 . 1 1 8 8 VAL CA C 8 61.340 61.340 60.619 0.721 18887 6685 1 12 . 1 1 8 8 VAL CB C 8 36.650 36.650 33.827 2.823 18887 6686 1 12 . 1 1 8 8 VAL H H 8 8.950 8.950 8.622 0.328 18887 6687 1 12 . 1 1 9 9 THR N N 9 116.320 116.320 118.240 -1.920 18887 6688 1 12 . 1 1 9 9 THR HA H 9 5.500 5.500 5.515 -0.015 18887 6689 1 12 . 1 1 9 9 THR C C 9 172.920 172.920 173.250 -0.330 18887 6690 1 12 . 1 1 9 9 THR CA C 9 59.470 59.470 59.350 0.120 18887 6691 1 12 . 1 1 9 9 THR CB C 9 71.510 71.510 70.577 0.933 18887 6692 1 12 . 1 1 9 9 THR H H 9 8.860 8.860 9.242 -0.382 18887 6693 1 12 . 1 1 10 10 ALA N N 10 121.780 121.780 128.170 -6.390 18887 6694 1 12 . 1 1 10 10 ALA HA H 10 4.800 4.800 4.779 0.021 18887 6695 1 12 . 1 1 10 10 ALA C C 10 174.680 174.680 174.921 -0.241 18887 6696 1 12 . 1 1 10 10 ALA CA C 10 54.300 54.300 51.366 2.934 18887 6697 1 12 . 1 1 10 10 ALA CB C 10 22.940 22.940 21.336 1.604 18887 6698 1 12 . 1 1 10 10 ALA H H 10 7.710 7.710 8.692 -0.982 18887 6699 1 12 . 1 1 11 11 CYS N N 11 121.780 121.780 122.585 -0.805 18887 6700 1 12 . 1 1 11 11 CYS HA H 11 5.160 5.160 4.666 0.494 18887 6701 1 12 . 1 1 11 11 CYS C C 11 174.700 174.700 174.218 0.482 18887 6702 1 12 . 1 1 11 11 CYS CA C 11 57.150 57.150 57.991 -0.841 18887 6703 1 12 . 1 1 11 11 CYS CB C 11 30.830 30.830 31.114 -0.284 18887 6704 1 12 . 1 1 11 11 CYS H H 11 8.140 8.140 8.551 -0.411 18887 6705 1 12 . 1 1 12 12 ALA N N 12 113.900 113.900 131.010 -17.110 18887 6706 1 12 . 1 1 12 12 ALA HA H 12 4.220 4.220 4.378 -0.158 18887 6707 1 12 . 1 1 12 12 ALA C C 12 168.950 168.950 178.528 -9.578 18887 6708 1 12 . 1 1 12 12 ALA CA C 12 55.270 55.270 54.223 1.047 18887 6709 1 12 . 1 1 12 12 ALA CB C 12 20.320 20.320 19.028 1.292 18887 6710 1 12 . 1 1 12 12 ALA H H 12 10.630 10.630 8.766 1.864 18887 6711 1 12 . 1 1 13 13 THR N N 13 109.490 109.490 114.156 -4.666 18887 6712 1 12 . 1 1 13 13 THR HA H 13 4.390 4.390 4.071 0.319 18887 6713 1 12 . 1 1 13 13 THR C C 13 174.870 174.870 175.657 -0.787 18887 6714 1 12 . 1 1 13 13 THR CA C 13 62.910 62.910 65.273 -2.363 18887 6715 1 12 . 1 1 13 13 THR CB C 13 70.640 70.640 69.141 1.499 18887 6716 1 12 . 1 1 13 13 THR H H 13 8.180 8.180 8.306 -0.126 18887 6717 1 12 . 1 1 14 14 GLY N N 14 111.450 111.450 109.441 2.009 18887 6718 1 12 . 1 1 14 14 GLY C C 14 173.680 173.680 174.927 -1.247 18887 6719 1 12 . 1 1 14 14 GLY CA C 14 47.050 47.050 44.477 2.573 18887 6720 1 12 . 1 1 14 14 GLY H H 14 7.880 7.880 7.612 0.268 18887 6721 1 12 . 1 1 15 15 VAL N N 15 119.530 119.530 122.139 -2.609 18887 6722 1 12 . 1 1 15 15 VAL HA H 15 4.110 4.110 3.921 0.189 18887 6723 1 12 . 1 1 15 15 VAL C C 15 176.860 176.860 177.023 -0.163 18887 6724 1 12 . 1 1 15 15 VAL CA C 15 64.740 64.740 64.929 -0.189 18887 6725 1 12 . 1 1 15 15 VAL CB C 15 33.690 33.690 31.363 2.327 18887 6726 1 12 . 1 1 15 15 VAL H H 15 8.250 8.250 8.731 -0.481 18887 6727 1 12 . 1 1 16 16 ALA N N 16 123.230 123.230 123.555 -0.325 18887 6728 1 12 . 1 1 16 16 ALA HA H 16 4.230 4.230 4.142 0.088 18887 6729 1 12 . 1 1 16 16 ALA C C 16 170.610 170.610 179.492 -8.882 18887 6730 1 12 . 1 1 16 16 ALA CA C 16 56.280 56.280 54.658 1.622 18887 6731 1 12 . 1 1 16 16 ALA CB C 16 19.320 19.320 18.370 0.950 18887 6732 1 12 . 1 1 16 16 ALA H H 16 8.430 8.430 8.232 0.198 18887 6733 1 12 . 1 1 17 17 HIS HA H 17 4.380 4.380 4.335 0.045 18887 6734 1 12 . 1 1 17 17 HIS C C 17 177.260 177.260 177.741 -0.481 18887 6735 1 12 . 1 1 17 17 HIS CA C 17 60.060 60.060 59.479 0.581 18887 6736 1 12 . 1 1 17 17 HIS CB C 17 31.990 31.990 30.143 1.847 18887 6737 1 12 . 1 1 18 18 THR N N 18 115.830 115.830 117.130 -1.300 18887 6738 1 12 . 1 1 18 18 THR HA H 18 3.540 3.540 4.052 -0.512 18887 6739 1 12 . 1 1 18 18 THR C C 18 176.690 176.690 176.264 0.426 18887 6740 1 12 . 1 1 18 18 THR CA C 18 67.700 67.700 67.574 0.126 18887 6741 1 12 . 1 1 18 18 THR CB C 18 69.550 69.550 68.776 0.774 18887 6742 1 12 . 1 1 18 18 THR H H 18 7.590 7.590 7.823 -0.233 18887 6743 1 12 . 1 1 19 19 TYR N N 19 121.050 121.050 122.535 -1.485 18887 6744 1 12 . 1 1 19 19 TYR HA H 19 4.340 4.340 4.252 0.088 18887 6745 1 12 . 1 1 19 19 TYR C C 19 178.420 178.420 177.362 1.058 18887 6746 1 12 . 1 1 19 19 TYR CA C 19 61.220 61.220 61.902 -0.682 18887 6747 1 12 . 1 1 19 19 TYR CB C 19 38.400 38.400 38.509 -0.109 18887 6748 1 12 . 1 1 19 19 TYR H H 19 7.710 7.710 8.175 -0.465 18887 6749 1 12 . 1 1 20 20 MET N N 20 120.220 120.220 119.533 0.687 18887 6750 1 12 . 1 1 20 20 MET HA H 20 4.160 4.160 4.147 0.013 18887 6751 1 12 . 1 1 20 20 MET C C 20 169.550 169.550 177.954 -8.404 18887 6752 1 12 . 1 1 20 20 MET CA C 20 60.050 60.050 57.222 2.828 18887 6753 1 12 . 1 1 20 20 MET CB C 20 34.410 34.410 32.102 2.308 18887 6754 1 12 . 1 1 20 20 MET H H 20 8.470 8.470 8.262 0.208 18887 6755 1 12 . 1 1 21 21 ALA N N 21 122.280 122.280 121.974 0.306 18887 6756 1 12 . 1 1 21 21 ALA HA H 21 3.870 3.870 3.926 -0.056 18887 6757 1 12 . 1 1 21 21 ALA C C 21 178.630 178.630 179.123 -0.493 18887 6758 1 12 . 1 1 21 21 ALA CA C 21 56.760 56.760 55.465 1.295 18887 6759 1 12 . 1 1 21 21 ALA CB C 21 19.690 19.690 18.127 1.563 18887 6760 1 12 . 1 1 21 21 ALA H H 21 8.490 8.490 8.440 0.050 18887 6761 1 12 . 1 1 22 22 ALA N N 22 120.240 120.240 120.350 -0.110 18887 6762 1 12 . 1 1 22 22 ALA HA H 22 3.900 3.900 3.937 -0.037 18887 6763 1 12 . 1 1 22 22 ALA C C 22 169.200 169.200 179.891 -10.691 18887 6764 1 12 . 1 1 22 22 ALA CA C 22 56.880 56.880 54.982 1.898 18887 6765 1 12 . 1 1 22 22 ALA CB C 22 19.560 19.560 18.291 1.269 18887 6766 1 12 . 1 1 22 22 ALA H H 22 7.660 7.660 7.868 -0.208 18887 6767 1 12 . 1 1 23 23 GLN N N 23 116.680 116.680 117.720 -1.040 18887 6768 1 12 . 1 1 23 23 GLN HA H 23 3.940 3.940 4.010 -0.070 18887 6769 1 12 . 1 1 23 23 GLN C C 23 178.500 178.500 178.110 0.390 18887 6770 1 12 . 1 1 23 23 GLN CA C 23 59.550 59.550 58.074 1.476 18887 6771 1 12 . 1 1 23 23 GLN CB C 23 29.660 29.660 28.447 1.213 18887 6772 1 12 . 1 1 23 23 GLN H H 23 8.430 8.430 7.834 0.596 18887 6773 1 12 . 1 1 24 24 ALA N N 24 121.760 121.760 123.564 -1.804 18887 6774 1 12 . 1 1 24 24 ALA HA H 24 4.140 4.140 4.024 0.116 18887 6775 1 12 . 1 1 24 24 ALA C C 24 171.490 171.490 179.568 -8.078 18887 6776 1 12 . 1 1 24 24 ALA CA C 24 56.060 56.060 55.043 1.017 18887 6777 1 12 . 1 1 24 24 ALA CB C 24 19.760 19.760 18.584 1.176 18887 6778 1 12 . 1 1 24 24 ALA H H 24 8.130 8.130 8.456 -0.326 18887 6779 1 12 . 1 1 25 25 LEU N N 25 118.730 118.730 119.891 -1.161 18887 6780 1 12 . 1 1 25 25 LEU HA H 25 3.850 3.850 4.032 -0.182 18887 6781 1 12 . 1 1 25 25 LEU C C 25 177.990 177.990 178.332 -0.342 18887 6782 1 12 . 1 1 25 25 LEU CA C 25 59.280 59.280 57.852 1.428 18887 6783 1 12 . 1 1 25 25 LEU CB C 25 43.190 43.190 41.637 1.553 18887 6784 1 12 . 1 1 25 25 LEU H H 25 8.030 8.030 8.642 -0.612 18887 6785 1 12 . 1 1 26 26 LYS N N 26 118.850 118.850 119.451 -0.601 18887 6786 1 12 . 1 1 26 26 LYS HA H 26 3.840 3.840 3.867 -0.027 18887 6787 1 12 . 1 1 26 26 LYS C C 26 169.460 169.460 178.766 -9.306 18887 6788 1 12 . 1 1 26 26 LYS CA C 26 61.420 61.420 59.882 1.538 18887 6789 1 12 . 1 1 26 26 LYS CB C 26 33.440 33.440 32.139 1.301 18887 6790 1 12 . 1 1 26 26 LYS H H 26 8.000 8.000 7.602 0.398 18887 6791 1 12 . 1 1 27 27 LYS N N 27 120.350 120.350 118.698 1.652 18887 6792 1 12 . 1 1 27 27 LYS HA H 27 3.990 3.990 3.996 -0.006 18887 6793 1 12 . 1 1 27 27 LYS C C 27 169.670 169.670 179.163 -9.493 18887 6794 1 12 . 1 1 27 27 LYS CA C 27 60.700 60.700 59.324 1.376 18887 6795 1 12 . 1 1 27 27 LYS CB C 27 33.620 33.620 32.282 1.338 18887 6796 1 12 . 1 1 27 27 LYS H H 27 8.350 8.350 8.254 0.096 18887 6797 1 12 . 1 1 28 28 GLY N N 28 125.170 125.170 106.861 18.309 18887 6798 1 12 . 1 1 28 28 GLY C C 28 174.520 174.520 175.719 -1.199 18887 6799 1 12 . 1 1 28 28 GLY CA C 28 47.870 47.870 47.047 0.823 18887 6800 1 12 . 1 1 28 28 GLY H H 28 8.410 8.410 8.234 0.176 18887 6801 1 12 . 1 1 29 29 ALA N N 29 122.370 122.370 124.490 -2.120 18887 6802 1 12 . 1 1 29 29 ALA HA H 29 3.820 3.820 4.097 -0.277 18887 6803 1 12 . 1 1 29 29 ALA C C 29 169.050 169.050 179.777 -10.727 18887 6804 1 12 . 1 1 29 29 ALA CA C 29 56.840 56.840 54.840 2.000 18887 6805 1 12 . 1 1 29 29 ALA CB C 29 18.800 18.800 18.379 0.421 18887 6806 1 12 . 1 1 29 29 ALA H H 29 8.280 8.280 8.136 0.144 18887 6807 1 12 . 1 1 30 30 LYS N N 30 117.490 117.490 118.631 -1.141 18887 6808 1 12 . 1 1 30 30 LYS HA H 30 4.130 4.130 4.065 0.065 18887 6809 1 12 . 1 1 30 30 LYS C C 30 170.330 170.330 178.998 -8.668 18887 6810 1 12 . 1 1 30 30 LYS CA C 30 60.420 60.420 58.730 1.690 18887 6811 1 12 . 1 1 30 30 LYS CB C 30 33.230 33.230 32.085 1.145 18887 6812 1 12 . 1 1 30 30 LYS H H 30 7.720 7.720 8.238 -0.518 18887 6813 1 12 . 1 1 31 31 LYS N N 31 121.050 121.050 119.570 1.480 18887 6814 1 12 . 1 1 31 31 LYS HA H 31 4.020 4.020 4.070 -0.050 18887 6815 1 12 . 1 1 31 31 LYS C C 31 178.160 178.160 178.361 -0.201 18887 6816 1 12 . 1 1 31 31 LYS CA C 31 60.360 60.360 58.776 1.584 18887 6817 1 12 . 1 1 31 31 LYS CB C 31 33.380 33.380 32.304 1.076 18887 6818 1 12 . 1 1 31 31 LYS H H 31 7.930 7.930 7.842 0.088 18887 6819 1 12 . 1 1 32 32 MET N N 32 114.620 114.620 114.438 0.182 18887 6820 1 12 . 1 1 32 32 MET HA H 32 4.240 4.240 4.614 -0.374 18887 6821 1 12 . 1 1 32 32 MET C C 32 175.810 175.810 176.321 -0.511 18887 6822 1 12 . 1 1 32 32 MET CA C 32 57.400 57.400 54.137 3.263 18887 6823 1 12 . 1 1 32 32 MET CB C 32 37.710 37.710 32.655 5.055 18887 6824 1 12 . 1 1 32 32 MET H H 32 7.420 7.420 7.490 -0.070 18887 6825 1 12 . 1 1 33 33 GLY N N 33 124.900 124.900 108.914 15.986 18887 6826 1 12 . 1 1 33 33 GLY C C 33 174.340 174.340 174.248 0.092 18887 6827 1 12 . 1 1 33 33 GLY CA C 33 46.830 46.830 45.617 1.213 18887 6828 1 12 . 1 1 33 33 GLY H H 33 7.860 7.860 7.789 0.071 18887 6829 1 12 . 1 1 34 34 ASN N N 34 116.070 116.070 117.683 -1.613 18887 6830 1 12 . 1 1 34 34 ASN HA H 34 5.210 5.210 5.114 0.096 18887 6831 1 12 . 1 1 34 34 ASN C C 34 173.080 173.080 174.994 -1.914 18887 6832 1 12 . 1 1 34 34 ASN CA C 34 52.770 52.770 52.810 -0.040 18887 6833 1 12 . 1 1 34 34 ASN CB C 34 42.880 42.880 40.927 1.953 18887 6834 1 12 . 1 1 34 34 ASN H H 34 8.160 8.160 8.247 -0.087 18887 6835 1 12 . 1 1 35 35 LEU N N 35 121.450 121.450 121.906 -0.456 18887 6836 1 12 . 1 1 35 35 LEU HA H 35 4.620 4.620 4.633 -0.013 18887 6837 1 12 . 1 1 35 35 LEU C C 35 174.930 174.930 175.267 -0.337 18887 6838 1 12 . 1 1 35 35 LEU CA C 35 55.150 55.150 53.956 1.194 18887 6839 1 12 . 1 1 35 35 LEU CB C 35 44.760 44.760 43.073 1.687 18887 6840 1 12 . 1 1 35 35 LEU H H 35 8.770 8.770 8.752 0.019 18887 6841 1 12 . 1 1 36 36 ILE N N 36 119.690 119.690 124.586 -4.896 18887 6842 1 12 . 1 1 36 36 ILE HA H 36 5.660 5.660 4.734 0.926 18887 6843 1 12 . 1 1 36 36 ILE C C 36 172.620 172.620 174.977 -2.357 18887 6844 1 12 . 1 1 36 36 ILE CA C 36 59.410 59.410 59.538 -0.128 18887 6845 1 12 . 1 1 36 36 ILE CB C 36 44.340 44.340 40.669 3.671 18887 6846 1 12 . 1 1 36 36 ILE H H 36 8.390 8.390 8.597 -0.207 18887 6847 1 12 . 1 1 37 37 LYS N N 37 126.230 126.230 129.633 -3.403 18887 6848 1 12 . 1 1 37 37 LYS HA H 37 4.590 4.590 4.699 -0.109 18887 6849 1 12 . 1 1 37 37 LYS C C 37 174.340 174.340 174.172 0.168 18887 6850 1 12 . 1 1 37 37 LYS CA C 37 57.050 57.050 54.561 2.489 18887 6851 1 12 . 1 1 37 37 LYS CB C 37 36.860 36.860 33.336 3.524 18887 6852 1 12 . 1 1 37 37 LYS H H 37 7.210 7.210 9.053 -1.843 18887 6853 1 12 . 1 1 38 38 VAL N N 38 124.270 124.270 126.518 -2.248 18887 6854 1 12 . 1 1 38 38 VAL HA H 38 4.920 4.920 5.037 -0.117 18887 6855 1 12 . 1 1 38 38 VAL C C 38 174.660 174.660 174.852 -0.192 18887 6856 1 12 . 1 1 38 38 VAL CA C 38 61.420 61.420 59.492 1.929 18887 6857 1 12 . 1 1 38 38 VAL CB C 38 35.020 35.020 33.808 1.212 18887 6858 1 12 . 1 1 38 38 VAL H H 38 8.760 8.760 8.671 0.088 18887 6859 1 12 . 1 1 39 39 GLU N N 39 114.800 114.800 128.831 -14.031 18887 6860 1 12 . 1 1 39 39 GLU HA H 39 5.020 5.020 4.998 0.022 18887 6861 1 12 . 1 1 39 39 GLU C C 39 175.680 175.680 175.195 0.485 18887 6862 1 12 . 1 1 39 39 GLU CA C 39 55.680 55.680 54.505 1.175 18887 6863 1 12 . 1 1 39 39 GLU CB C 39 33.940 33.940 32.980 0.960 18887 6864 1 12 . 1 1 39 39 GLU H H 39 9.210 9.210 9.076 0.134 18887 6865 1 12 . 1 1 40 40 THR N N 40 115.120 115.120 120.898 -5.778 18887 6866 1 12 . 1 1 40 40 THR HA H 40 5.180 5.180 5.160 0.020 18887 6867 1 12 . 1 1 40 40 THR C C 40 174.200 174.200 174.517 -0.317 18887 6868 1 12 . 1 1 40 40 THR CA C 40 59.710 59.710 60.579 -0.869 18887 6869 1 12 . 1 1 40 40 THR CB C 40 71.270 71.270 69.471 1.799 18887 6870 1 12 . 1 1 40 40 THR H H 40 8.500 8.500 8.805 -0.305 18887 6871 1 12 . 1 1 41 41 GLN N N 41 119.850 119.850 126.691 -6.841 18887 6872 1 12 . 1 1 41 41 GLN HA H 41 4.990 4.990 5.084 -0.094 18887 6873 1 12 . 1 1 41 41 GLN C C 41 175.110 175.110 175.952 -0.842 18887 6874 1 12 . 1 1 41 41 GLN CA C 41 54.980 54.980 54.173 0.807 18887 6875 1 12 . 1 1 41 41 GLN CB C 41 29.780 29.780 31.322 -1.542 18887 6876 1 12 . 1 1 41 41 GLN H H 41 8.470 8.470 8.957 -0.487 18887 6877 1 12 . 1 1 42 42 GLY N N 42 109.530 109.530 106.443 3.087 18887 6878 1 12 . 1 1 42 42 GLY C C 42 174.750 174.750 173.149 1.601 18887 6879 1 12 . 1 1 42 42 GLY CA C 42 45.630 45.630 45.395 0.235 18887 6880 1 12 . 1 1 42 42 GLY H H 42 7.890 7.890 8.560 -0.670 18887 6881 1 12 . 1 1 43 43 ALA N N 43 123.850 123.850 125.726 -1.876 18887 6882 1 12 . 1 1 43 43 ALA HA H 43 4.170 4.170 4.759 -0.589 18887 6883 1 12 . 1 1 43 43 ALA C C 43 169.490 169.490 177.898 -8.408 18887 6884 1 12 . 1 1 43 43 ALA CA C 43 56.170 56.170 51.193 4.977 18887 6885 1 12 . 1 1 43 43 ALA CB C 43 19.910 19.910 17.802 2.108 18887 6886 1 12 . 1 1 43 43 ALA H H 43 8.730 8.730 8.366 0.364 18887 6887 1 12 . 1 1 44 44 THR N N 44 122.380 122.380 115.738 6.642 18887 6888 1 12 . 1 1 44 44 THR HA H 44 4.390 4.390 4.000 0.390 18887 6889 1 12 . 1 1 44 44 THR C C 44 174.260 174.260 174.362 -0.102 18887 6890 1 12 . 1 1 44 44 THR CA C 44 62.190 62.190 64.451 -2.261 18887 6891 1 12 . 1 1 44 44 THR CB C 44 70.080 70.080 67.949 2.131 18887 6892 1 12 . 1 1 44 44 THR H H 44 7.950 7.950 8.539 -0.589 18887 6893 1 12 . 1 1 45 45 GLY N N 45 109.360 109.360 108.603 0.757 18887 6894 1 12 . 1 1 45 45 GLY C C 45 172.380 172.380 172.438 -0.058 18887 6895 1 12 . 1 1 45 45 GLY CA C 45 45.510 45.510 43.991 1.519 18887 6896 1 12 . 1 1 45 45 GLY H H 45 7.560 7.560 7.919 -0.359 18887 6897 1 12 . 1 1 46 46 ILE N N 46 122.050 122.050 120.428 1.622 18887 6898 1 12 . 1 1 46 46 ILE HA H 46 4.780 4.780 4.610 0.170 18887 6899 1 12 . 1 1 46 46 ILE C C 46 176.010 176.010 175.706 0.304 18887 6900 1 12 . 1 1 46 46 ILE CA C 46 61.950 61.950 60.527 1.423 18887 6901 1 12 . 1 1 46 46 ILE CB C 46 40.810 40.810 40.171 0.639 18887 6902 1 12 . 1 1 46 46 ILE H H 46 8.480 8.480 8.477 0.003 18887 6903 1 12 . 1 1 47 47 GLU N N 47 109.160 109.160 126.925 -17.765 18887 6904 1 12 . 1 1 47 47 GLU HA H 47 4.660 4.660 4.179 0.481 18887 6905 1 12 . 1 1 47 47 GLU C C 47 174.750 174.750 176.406 -1.656 18887 6906 1 12 . 1 1 47 47 GLU CA C 47 55.940 55.940 58.400 -2.460 18887 6907 1 12 . 1 1 47 47 GLU CB C 47 33.640 33.640 30.778 2.862 18887 6908 1 12 . 1 1 47 47 GLU H H 47 9.000 9.000 9.129 -0.129 18887 6909 1 12 . 1 1 48 48 ASN N N 48 120.510 120.510 117.933 2.577 18887 6910 1 12 . 1 1 48 48 ASN HA H 48 4.230 4.230 4.903 -0.673 18887 6911 1 12 . 1 1 48 48 ASN C C 48 173.090 173.090 173.605 -0.515 18887 6912 1 12 . 1 1 48 48 ASN CA C 48 54.770 54.770 52.317 2.453 18887 6913 1 12 . 1 1 48 48 ASN CB C 48 38.800 38.800 39.336 -0.536 18887 6914 1 12 . 1 1 48 48 ASN H H 48 8.930 8.930 8.037 0.893 18887 6915 1 12 . 1 1 49 49 GLU N N 49 114.160 114.160 123.294 -9.134 18887 6916 1 12 . 1 1 49 49 GLU HA H 49 3.890 3.890 4.351 -0.461 18887 6917 1 12 . 1 1 49 49 GLU C C 49 177.780 177.780 176.085 1.695 18887 6918 1 12 . 1 1 49 49 GLU CA C 49 57.870 57.870 56.661 1.209 18887 6919 1 12 . 1 1 49 49 GLU CB C 49 31.900 31.900 29.789 2.111 18887 6920 1 12 . 1 1 49 49 GLU H H 49 7.690 7.690 8.613 -0.923 18887 6921 1 12 . 1 1 50 50 LEU N N 50 109.440 109.440 128.640 -19.200 18887 6922 1 12 . 1 1 50 50 LEU HA H 50 4.680 4.680 4.436 0.244 18887 6923 1 12 . 1 1 50 50 LEU C C 50 177.490 177.490 177.375 0.115 18887 6924 1 12 . 1 1 50 50 LEU CA C 50 55.520 55.520 54.284 1.236 18887 6925 1 12 . 1 1 50 50 LEU CB C 50 43.440 43.440 41.620 1.820 18887 6926 1 12 . 1 1 50 50 LEU H H 50 9.560 9.560 9.724 -0.164 18887 6927 1 12 . 1 1 51 51 THR N N 51 117.490 117.490 117.119 0.371 18887 6928 1 12 . 1 1 51 51 THR HA H 51 4.420 4.420 4.276 0.144 18887 6929 1 12 . 1 1 51 51 THR C C 51 175.010 175.010 175.352 -0.342 18887 6930 1 12 . 1 1 51 51 THR CA C 51 61.230 61.230 60.901 0.329 18887 6931 1 12 . 1 1 51 51 THR CB C 51 72.860 72.860 70.113 2.747 18887 6932 1 12 . 1 1 51 51 THR H H 51 9.380 9.380 8.866 0.514 18887 6933 1 12 . 1 1 52 52 GLU N N 52 120.490 120.490 121.390 -0.900 18887 6934 1 12 . 1 1 52 52 GLU HA H 52 3.860 3.860 3.835 0.025 18887 6935 1 12 . 1 1 52 52 GLU C C 52 178.660 178.660 178.494 0.166 18887 6936 1 12 . 1 1 52 52 GLU CA C 52 61.130 61.130 60.085 1.045 18887 6937 1 12 . 1 1 52 52 GLU CB C 52 30.280 30.280 29.380 0.900 18887 6938 1 12 . 1 1 52 52 GLU H H 52 8.910 8.910 8.856 0.054 18887 6939 1 12 . 1 1 53 53 LYS N N 53 118.660 118.660 119.189 -0.529 18887 6940 1 12 . 1 1 53 53 LYS HA H 53 4.020 4.020 4.020 -0.000 18887 6941 1 12 . 1 1 53 53 LYS C C 53 178.190 178.190 178.531 -0.341 18887 6942 1 12 . 1 1 53 53 LYS CA C 53 60.390 60.390 59.298 1.092 18887 6943 1 12 . 1 1 53 53 LYS CB C 53 33.210 33.210 32.167 1.043 18887 6944 1 12 . 1 1 53 53 LYS H H 53 7.890 7.890 8.050 -0.160 18887 6945 1 12 . 1 1 54 54 ASP N N 54 118.400 118.400 120.067 -1.667 18887 6946 1 12 . 1 1 54 54 ASP HA H 54 4.200 4.200 4.342 -0.142 18887 6947 1 12 . 1 1 54 54 ASP C C 54 169.070 169.070 178.860 -9.790 18887 6948 1 12 . 1 1 54 54 ASP CA C 54 58.300 58.300 57.566 0.734 18887 6949 1 12 . 1 1 54 54 ASP CB C 54 43.110 43.110 40.614 2.496 18887 6950 1 12 . 1 1 54 54 ASP H H 54 7.440 7.440 7.803 -0.363 18887 6951 1 12 . 1 1 55 55 VAL N N 55 118.420 118.420 118.368 0.052 18887 6952 1 12 . 1 1 55 55 VAL HA H 55 3.520 3.520 3.614 -0.094 18887 6953 1 12 . 1 1 55 55 VAL C C 55 176.980 176.980 177.005 -0.025 18887 6954 1 12 . 1 1 55 55 VAL CA C 55 66.950 66.950 65.847 1.103 18887 6955 1 12 . 1 1 55 55 VAL CB C 55 32.360 32.360 30.838 1.522 18887 6956 1 12 . 1 1 55 55 VAL H H 55 8.150 8.150 8.031 0.119 18887 6957 1 12 . 1 1 56 56 ASN N N 56 117.100 117.100 116.916 0.184 18887 6958 1 12 . 1 1 56 56 ASN HA H 56 4.410 4.410 4.490 -0.080 18887 6959 1 12 . 1 1 56 56 ASN C C 56 177.330 177.330 177.725 -0.395 18887 6960 1 12 . 1 1 56 56 ASN CA C 56 57.170 57.170 55.725 1.445 18887 6961 1 12 . 1 1 56 56 ASN CB C 56 39.930 39.930 38.850 1.080 18887 6962 1 12 . 1 1 56 56 ASN H H 56 8.000 8.000 7.559 0.441 18887 6963 1 12 . 1 1 57 57 ILE N N 57 115.580 115.580 119.361 -3.781 18887 6964 1 12 . 1 1 57 57 ILE HA H 57 3.950 3.950 3.905 0.045 18887 6965 1 12 . 1 1 57 57 ILE C C 57 176.980 176.980 176.667 0.313 18887 6966 1 12 . 1 1 57 57 ILE CA C 57 63.240 63.240 63.770 -0.530 18887 6967 1 12 . 1 1 57 57 ILE CB C 57 39.890 39.890 38.363 1.527 18887 6968 1 12 . 1 1 57 57 ILE H H 57 7.600 7.600 7.752 -0.152 18887 6969 1 12 . 1 1 58 58 GLY N N 58 124.080 124.080 105.868 18.212 18887 6970 1 12 . 1 1 58 58 GLY C C 58 173.190 173.190 174.393 -1.203 18887 6971 1 12 . 1 1 58 58 GLY CA C 58 47.110 47.110 44.846 2.264 18887 6972 1 12 . 1 1 58 58 GLY H H 58 7.630 7.630 7.830 -0.200 18887 6973 1 12 . 1 1 59 59 GLU N N 59 123.240 123.240 125.350 -2.110 18887 6974 1 12 . 1 1 59 59 GLU HA H 59 4.240 4.240 4.292 -0.052 18887 6975 1 12 . 1 1 59 59 GLU C C 59 176.750 176.750 177.246 -0.496 18887 6976 1 12 . 1 1 59 59 GLU CA C 59 59.830 59.830 58.276 1.554 18887 6977 1 12 . 1 1 59 59 GLU CB C 59 33.100 33.100 30.554 2.546 18887 6978 1 12 . 1 1 59 59 GLU H H 59 9.350 9.350 8.659 0.691 18887 6979 1 12 . 1 1 60 60 VAL N N 60 114.370 114.370 113.658 0.712 18887 6980 1 12 . 1 1 60 60 VAL HA H 60 4.410 4.410 4.574 -0.164 18887 6981 1 12 . 1 1 60 60 VAL C C 60 170.270 170.270 174.936 -4.666 18887 6982 1 12 . 1 1 60 60 VAL CA C 60 60.710 60.710 61.025 -0.315 18887 6983 1 12 . 1 1 60 60 VAL CB C 60 35.150 35.150 33.120 2.030 18887 6984 1 12 . 1 1 60 60 VAL H H 60 7.640 7.640 7.358 0.282 18887 6985 1 12 . 1 1 61 61 VAL N N 61 125.780 125.780 122.871 2.909 18887 6986 1 12 . 1 1 61 61 VAL HA H 61 4.970 4.970 5.090 -0.120 18887 6987 1 12 . 1 1 61 61 VAL C C 61 174.450 174.450 175.184 -0.734 18887 6988 1 12 . 1 1 61 61 VAL CA C 61 60.260 60.260 60.369 -0.109 18887 6989 1 12 . 1 1 61 61 VAL CB C 61 34.710 34.710 33.973 0.737 18887 6990 1 12 . 1 1 61 61 VAL H H 61 8.290 8.290 8.911 -0.621 18887 6991 1 12 . 1 1 62 62 ILE N N 62 124.740 124.740 125.127 -0.387 18887 6992 1 12 . 1 1 62 62 ILE HA H 62 4.820 4.820 4.715 0.105 18887 6993 1 12 . 1 1 62 62 ILE C C 62 175.020 175.020 174.248 0.772 18887 6994 1 12 . 1 1 62 62 ILE CA C 62 60.490 60.490 59.830 0.660 18887 6995 1 12 . 1 1 62 62 ILE CB C 62 42.560 42.560 40.858 1.702 18887 6996 1 12 . 1 1 62 62 ILE H H 62 8.580 8.580 8.425 0.155 18887 6997 1 12 . 1 1 63 63 PHE N N 63 109.510 109.510 126.562 -17.052 18887 6998 1 12 . 1 1 63 63 PHE HA H 63 5.490 5.490 5.079 0.411 18887 6999 1 12 . 1 1 63 63 PHE C C 63 173.600 173.600 174.325 -0.725 18887 7000 1 12 . 1 1 63 63 PHE CA C 63 53.020 53.020 55.595 -2.575 18887 7001 1 12 . 1 1 63 63 PHE CB C 63 40.150 40.150 40.763 -0.613 18887 7002 1 12 . 1 1 63 63 PHE H H 63 9.320 9.320 8.994 0.326 18887 7003 1 12 . 1 1 64 64 ALA N N 64 112.790 112.790 129.014 -16.224 18887 7004 1 12 . 1 1 64 64 ALA HA H 64 5.430 5.430 5.610 -0.180 18887 7005 1 12 . 1 1 64 64 ALA C C 64 175.040 175.040 175.879 -0.839 18887 7006 1 12 . 1 1 64 64 ALA CA C 64 50.740 50.740 50.061 0.679 18887 7007 1 12 . 1 1 64 64 ALA CB C 64 19.690 19.690 19.580 0.110 18887 7008 1 12 . 1 1 64 64 ALA H H 64 8.840 8.840 8.869 -0.029 18887 7009 1 12 . 1 1 65 65 VAL N N 65 110.260 110.260 119.331 -9.071 18887 7010 1 12 . 1 1 65 65 VAL HA H 65 5.690 5.690 4.663 1.027 18887 7011 1 12 . 1 1 65 65 VAL C C 65 175.380 175.380 174.097 1.283 18887 7012 1 12 . 1 1 65 65 VAL CA C 65 59.060 59.060 60.508 -1.448 18887 7013 1 12 . 1 1 65 65 VAL CB C 65 38.800 38.800 35.370 3.430 18887 7014 1 12 . 1 1 65 65 VAL H H 65 8.080 8.080 7.676 0.404 18887 7015 1 12 . 1 1 66 66 ASP N N 66 119.250 119.250 123.719 -4.469 18887 7016 1 12 . 1 1 66 66 ASP HA H 66 4.870 4.870 4.935 -0.065 18887 7017 1 12 . 1 1 66 66 ASP C C 66 175.600 175.600 176.039 -0.439 18887 7018 1 12 . 1 1 66 66 ASP CA C 66 53.780 53.780 54.489 -0.709 18887 7019 1 12 . 1 1 66 66 ASP CB C 66 42.910 42.910 42.841 0.069 18887 7020 1 12 . 1 1 66 66 ASP H H 66 7.760 7.760 9.101 -1.341 18887 7021 1 12 . 1 1 67 67 THR N N 67 112.330 112.330 114.011 -1.681 18887 7022 1 12 . 1 1 67 67 THR HA H 67 4.510 4.510 4.577 -0.067 18887 7023 1 12 . 1 1 67 67 THR C C 67 172.370 172.370 172.768 -0.398 18887 7024 1 12 . 1 1 67 67 THR CA C 67 59.650 59.650 60.696 -1.046 18887 7025 1 12 . 1 1 67 67 THR CB C 67 70.230 70.230 71.118 -0.888 18887 7026 1 12 . 1 1 67 67 THR H H 67 7.070 7.070 7.554 -0.484 18887 7027 1 12 . 1 1 68 68 LYS N N 68 121.380 121.380 121.081 0.299 18887 7028 1 12 . 1 1 68 68 LYS HA H 68 4.080 4.080 4.248 -0.168 18887 7029 1 12 . 1 1 68 68 LYS C C 68 176.250 176.250 175.646 0.604 18887 7030 1 12 . 1 1 68 68 LYS CA C 68 57.470 57.470 55.801 1.669 18887 7031 1 12 . 1 1 68 68 LYS CB C 68 34.020 34.020 32.828 1.192 18887 7032 1 12 . 1 1 68 68 LYS H H 68 7.540 7.540 8.239 -0.699 18887 7033 1 12 . 1 1 69 69 VAL N N 69 125.310 125.310 122.291 3.019 18887 7034 1 12 . 1 1 69 69 VAL HA H 69 3.320 3.320 4.500 -1.180 18887 7035 1 12 . 1 1 69 69 VAL C C 69 175.890 175.890 176.151 -0.261 18887 7036 1 12 . 1 1 69 69 VAL CA C 69 64.110 64.110 60.451 3.659 18887 7037 1 12 . 1 1 69 69 VAL CB C 69 33.810 33.810 32.732 1.078 18887 7038 1 12 . 1 1 69 69 VAL H H 69 8.320 8.320 8.238 0.082 18887 7039 1 12 . 1 1 70 70 ARG N N 70 111.240 111.240 128.506 -17.266 18887 7040 1 12 . 1 1 70 70 ARG HA H 70 4.160 4.160 4.169 -0.009 18887 7041 1 12 . 1 1 70 70 ARG C C 70 177.030 177.030 177.668 -0.638 18887 7042 1 12 . 1 1 70 70 ARG CA C 70 57.630 57.630 58.863 -1.233 18887 7043 1 12 . 1 1 70 70 ARG CB C 70 31.440 31.440 30.352 1.088 18887 7044 1 12 . 1 1 70 70 ARG H H 70 9.580 9.580 8.905 0.675 18887 7045 1 12 . 1 1 71 71 ASN N N 71 120.660 120.660 116.469 4.191 18887 7046 1 12 . 1 1 71 71 ASN HA H 71 4.670 4.670 4.658 0.012 18887 7047 1 12 . 1 1 71 71 ASN C C 71 177.530 177.530 176.812 0.718 18887 7048 1 12 . 1 1 71 71 ASN CA C 71 54.770 54.770 54.561 0.209 18887 7049 1 12 . 1 1 71 71 ASN CB C 71 37.130 37.130 38.009 -0.879 18887 7050 1 12 . 1 1 71 71 ASN H H 71 9.170 9.170 8.737 0.433 18887 7051 1 12 . 1 1 72 72 LYS N N 72 120.730 120.730 121.325 -0.595 18887 7052 1 12 . 1 1 72 72 LYS HA H 72 4.010 4.010 4.542 -0.532 18887 7053 1 12 . 1 1 72 72 LYS C C 72 177.790 177.790 177.841 -0.051 18887 7054 1 12 . 1 1 72 72 LYS CA C 72 59.910 59.910 59.130 0.780 18887 7055 1 12 . 1 1 72 72 LYS CB C 72 33.260 33.260 32.193 1.067 18887 7056 1 12 . 1 1 72 72 LYS H H 72 8.400 8.400 7.665 0.735 18887 7057 1 12 . 1 1 73 73 GLU N N 73 122.670 122.670 117.730 4.940 18887 7058 1 12 . 1 1 73 73 GLU HA H 73 4.160 4.160 4.026 0.134 18887 7059 1 12 . 1 1 73 73 GLU C C 73 177.620 177.620 179.050 -1.430 18887 7060 1 12 . 1 1 73 73 GLU CA C 73 60.380 60.380 59.261 1.119 18887 7061 1 12 . 1 1 73 73 GLU CB C 73 28.660 28.660 29.604 -0.944 18887 7062 1 12 . 1 1 73 73 GLU H H 73 9.960 9.960 7.803 2.157 18887 7063 1 12 . 1 1 74 74 ARG N N 74 117.370 117.370 117.703 -0.333 18887 7064 1 12 . 1 1 74 74 ARG HA H 74 3.770 3.770 4.164 -0.394 18887 7065 1 12 . 1 1 74 74 ARG C C 74 177.380 177.380 177.275 0.105 18887 7066 1 12 . 1 1 74 74 ARG CA C 74 59.010 59.010 58.034 0.976 18887 7067 1 12 . 1 1 74 74 ARG CB C 74 32.720 32.720 30.057 2.663 18887 7068 1 12 . 1 1 74 74 ARG H H 74 6.830 6.830 8.042 -1.212 18887 7069 1 12 . 1 1 75 75 PHE N N 75 112.920 112.920 117.093 -4.173 18887 7070 1 12 . 1 1 75 75 PHE HA H 75 4.280 4.280 4.678 -0.398 18887 7071 1 12 . 1 1 75 75 PHE C C 75 174.870 174.870 175.743 -0.873 18887 7072 1 12 . 1 1 75 75 PHE CA C 75 57.370 57.370 57.811 -0.441 18887 7073 1 12 . 1 1 75 75 PHE CB C 75 39.380 39.380 38.493 0.887 18887 7074 1 12 . 1 1 75 75 PHE H H 75 7.670 7.670 7.438 0.232 18887 7075 1 12 . 1 1 76 76 ASP N N 76 121.780 121.780 122.156 -0.376 18887 7076 1 12 . 1 1 76 76 ASP HA H 76 4.380 4.380 4.616 -0.236 18887 7077 1 12 . 1 1 76 76 ASP C C 76 177.380 177.380 177.932 -0.552 18887 7078 1 12 . 1 1 76 76 ASP CA C 76 57.700 57.700 56.305 1.395 18887 7079 1 12 . 1 1 76 76 ASP CB C 76 41.270 41.270 41.360 -0.090 18887 7080 1 12 . 1 1 76 76 ASP H H 76 7.210 7.210 7.569 -0.359 18887 7081 1 12 . 1 1 77 77 GLY N N 77 111.910 111.910 109.025 2.885 18887 7082 1 12 . 1 1 77 77 GLY C C 77 174.310 174.310 173.958 0.352 18887 7083 1 12 . 1 1 77 77 GLY CA C 77 46.290 46.290 44.905 1.385 18887 7084 1 12 . 1 1 77 77 GLY H H 77 8.920 8.920 8.677 0.243 18887 7085 1 12 . 1 1 78 78 LYS N N 78 117.910 117.910 119.842 -1.932 18887 7086 1 12 . 1 1 78 78 LYS HA H 78 4.540 4.540 4.597 -0.057 18887 7087 1 12 . 1 1 78 78 LYS C C 78 175.910 175.910 174.969 0.941 18887 7088 1 12 . 1 1 78 78 LYS CA C 78 53.410 53.410 54.273 -0.863 18887 7089 1 12 . 1 1 78 78 LYS CB C 78 32.780 32.780 36.093 -3.313 18887 7090 1 12 . 1 1 78 78 LYS H H 78 7.700 7.700 7.532 0.168 18887 7091 1 12 . 1 1 79 79 VAL N N 79 124.500 124.500 123.037 1.463 18887 7092 1 12 . 1 1 79 79 VAL HA H 79 3.850 3.850 4.385 -0.535 18887 7093 1 12 . 1 1 79 79 VAL C C 79 174.140 174.140 174.011 0.129 18887 7094 1 12 . 1 1 79 79 VAL CA C 79 64.810 64.810 61.517 3.293 18887 7095 1 12 . 1 1 79 79 VAL CB C 79 32.390 32.390 32.018 0.372 18887 7096 1 12 . 1 1 79 79 VAL H H 79 8.890 8.890 8.867 0.023 18887 7097 1 12 . 1 1 80 80 VAL N N 80 125.810 125.810 125.150 0.660 18887 7098 1 12 . 1 1 80 80 VAL HA H 80 4.690 4.690 5.160 -0.470 18887 7099 1 12 . 1 1 80 80 VAL C C 80 175.270 175.270 174.019 1.251 18887 7100 1 12 . 1 1 80 80 VAL CA C 80 60.670 60.670 58.664 2.006 18887 7101 1 12 . 1 1 80 80 VAL CB C 80 35.970 35.970 34.657 1.313 18887 7102 1 12 . 1 1 80 80 VAL H H 80 7.860 7.860 8.248 -0.388 18887 7103 1 12 . 1 1 81 81 LEU N N 81 110.550 110.550 125.348 -14.798 18887 7104 1 12 . 1 1 81 81 LEU HA H 81 4.490 4.490 4.817 -0.327 18887 7105 1 12 . 1 1 81 81 LEU C C 81 173.930 173.930 175.172 -1.242 18887 7106 1 12 . 1 1 81 81 LEU CA C 81 54.410 54.410 54.251 0.159 18887 7107 1 12 . 1 1 81 81 LEU CB C 81 45.100 45.100 44.281 0.819 18887 7108 1 12 . 1 1 81 81 LEU H H 81 8.790 8.790 8.935 -0.145 18887 7109 1 12 . 1 1 82 82 GLU N N 82 111.070 111.070 127.115 -16.045 18887 7110 1 12 . 1 1 82 82 GLU HA H 82 5.460 5.460 5.309 0.151 18887 7111 1 12 . 1 1 82 82 GLU C C 82 175.440 175.440 175.388 0.052 18887 7112 1 12 . 1 1 82 82 GLU CA C 82 56.010 56.010 55.444 0.566 18887 7113 1 12 . 1 1 82 82 GLU CB C 82 32.100 32.100 31.671 0.429 18887 7114 1 12 . 1 1 82 82 GLU H H 82 8.750 8.750 8.754 -0.004 18887 7115 1 12 . 1 1 83 83 VAL N N 83 119.980 119.980 118.328 1.652 18887 7116 1 12 . 1 1 83 83 VAL HA H 83 4.950 4.950 4.758 0.192 18887 7117 1 12 . 1 1 83 83 VAL C C 83 172.120 172.120 173.397 -1.277 18887 7118 1 12 . 1 1 83 83 VAL CA C 83 58.760 58.760 58.271 0.489 18887 7119 1 12 . 1 1 83 83 VAL CB C 83 34.570 34.570 33.824 0.746 18887 7120 1 12 . 1 1 83 83 VAL H H 83 9.390 9.390 9.131 0.259 18887 7121 1 12 . 1 1 84 84 PRO HA H 84 4.740 4.740 4.498 0.242 18887 7122 1 12 . 1 1 84 84 PRO C C 84 178.300 178.300 178.158 0.142 18887 7123 1 12 . 1 1 84 84 PRO CA C 84 63.330 63.330 62.336 0.994 18887 7124 1 12 . 1 1 84 84 PRO CB C 84 33.430 33.430 32.394 1.036 18887 7125 1 12 . 1 1 85 85 VAL N N 85 122.390 122.390 121.023 1.367 18887 7126 1 12 . 1 1 85 85 VAL HA H 85 3.320 3.320 3.824 -0.504 18887 7127 1 12 . 1 1 85 85 VAL C C 85 174.190 174.190 176.808 -2.618 18887 7128 1 12 . 1 1 85 85 VAL CA C 85 66.540 66.540 64.383 2.157 18887 7129 1 12 . 1 1 85 85 VAL CB C 85 32.970 32.970 31.938 1.032 18887 7130 1 12 . 1 1 85 85 VAL H H 85 7.240 7.240 8.701 -1.461 18887 7131 1 12 . 1 1 86 86 SER N N 86 125.590 125.590 113.453 12.137 18887 7132 1 12 . 1 1 86 86 SER HA H 86 4.020 4.020 4.281 -0.261 18887 7133 1 12 . 1 1 86 86 SER C C 86 176.940 176.940 175.114 1.826 18887 7134 1 12 . 1 1 86 86 SER CA C 86 60.200 60.200 60.674 -0.474 18887 7135 1 12 . 1 1 86 86 SER CB C 86 64.060 64.060 63.223 0.837 18887 7136 1 12 . 1 1 86 86 SER H H 86 7.600 7.600 8.170 -0.570 18887 7137 1 12 . 1 1 87 87 ALA N N 87 125.200 125.200 124.591 0.609 18887 7138 1 12 . 1 1 87 87 ALA HA H 87 4.280 4.280 4.345 -0.065 18887 7139 1 12 . 1 1 87 87 ALA C C 87 177.370 177.370 176.359 1.011 18887 7140 1 12 . 1 1 87 87 ALA CA C 87 57.600 57.600 55.992 1.608 18887 7141 1 12 . 1 1 87 87 ALA CB C 87 16.620 16.620 16.745 -0.125 18887 7142 1 12 . 1 1 87 87 ALA H H 87 7.870 7.870 7.597 0.273 18887 7143 1 12 . 1 1 88 88 PRO HA H 88 4.000 4.000 4.337 -0.337 18887 7144 1 12 . 1 1 88 88 PRO C C 88 175.090 175.090 176.996 -1.906 18887 7145 1 12 . 1 1 88 88 PRO CA C 88 65.410 65.410 64.534 0.876 18887 7146 1 12 . 1 1 88 88 PRO CB C 88 32.130 32.130 31.048 1.082 18887 7147 1 12 . 1 1 89 89 ILE N N 89 114.700 114.700 116.100 -1.400 18887 7148 1 12 . 1 1 89 89 ILE HA H 89 3.310 3.310 3.740 -0.430 18887 7149 1 12 . 1 1 89 89 ILE C C 89 177.850 177.850 176.699 1.151 18887 7150 1 12 . 1 1 89 89 ILE CA C 89 66.320 66.320 63.591 2.729 18887 7151 1 12 . 1 1 89 89 ILE CB C 89 38.790 38.790 38.148 0.642 18887 7152 1 12 . 1 1 89 89 ILE H H 89 6.300 6.300 7.320 -1.020 18887 7153 1 12 . 1 1 90 90 LYS N N 90 118.530 118.530 117.900 0.630 18887 7154 1 12 . 1 1 90 90 LYS HA H 90 4.060 4.060 4.306 -0.246 18887 7155 1 12 . 1 1 90 90 LYS C C 90 177.390 177.390 177.192 0.198 18887 7156 1 12 . 1 1 90 90 LYS CA C 90 59.710 59.710 57.219 2.491 18887 7157 1 12 . 1 1 90 90 LYS CB C 90 33.940 33.940 34.141 -0.201 18887 7158 1 12 . 1 1 90 90 LYS H H 90 7.440 7.440 7.857 -0.417 18887 7159 1 12 . 1 1 91 91 ASP N N 91 114.670 114.670 118.785 -4.115 18887 7160 1 12 . 1 1 91 91 ASP HA H 91 4.530 4.530 4.743 -0.213 18887 7161 1 12 . 1 1 91 91 ASP C C 91 174.350 174.350 176.143 -1.793 18887 7162 1 12 . 1 1 91 91 ASP CA C 91 55.120 55.120 52.362 2.758 18887 7163 1 12 . 1 1 91 91 ASP CB C 91 41.530 41.530 40.358 1.172 18887 7164 1 12 . 1 1 91 91 ASP H H 91 7.700 7.700 7.858 -0.158 18887 7165 1 12 . 1 1 92 92 ALA N N 92 111.350 111.350 123.314 -11.964 18887 7166 1 12 . 1 1 92 92 ALA HA H 92 3.830 3.830 3.933 -0.103 18887 7167 1 12 . 1 1 92 92 ALA C C 92 169.330 169.330 179.177 -9.847 18887 7168 1 12 . 1 1 92 92 ALA CA C 92 57.220 57.220 55.150 2.070 18887 7169 1 12 . 1 1 92 92 ALA CB C 92 20.700 20.700 18.598 2.102 18887 7170 1 12 . 1 1 92 92 ALA H H 92 8.860 8.860 7.665 1.195 18887 7171 1 12 . 1 1 93 93 GLU N N 93 117.860 117.860 117.723 0.137 18887 7172 1 12 . 1 1 93 93 GLU HA H 93 3.860 3.860 3.916 -0.056 18887 7173 1 12 . 1 1 93 93 GLU C C 93 177.970 177.970 179.046 -1.076 18887 7174 1 12 . 1 1 93 93 GLU CA C 93 61.240 61.240 59.516 1.724 18887 7175 1 12 . 1 1 93 93 GLU CB C 93 30.570 30.570 29.089 1.481 18887 7176 1 12 . 1 1 93 93 GLU H H 93 8.520 8.520 8.749 -0.229 18887 7177 1 12 . 1 1 94 94 LYS N N 94 119.790 119.790 120.023 -0.233 18887 7178 1 12 . 1 1 94 94 LYS HA H 94 3.930 3.930 4.057 -0.127 18887 7179 1 12 . 1 1 94 94 LYS C C 94 169.840 169.840 179.068 -9.228 18887 7180 1 12 . 1 1 94 94 LYS CA C 94 60.600 60.600 59.278 1.322 18887 7181 1 12 . 1 1 94 94 LYS CB C 94 33.550 33.550 32.454 1.096 18887 7182 1 12 . 1 1 94 94 LYS H H 94 7.670 7.670 7.630 0.040 18887 7183 1 12 . 1 1 95 95 VAL N N 95 118.850 118.850 120.048 -1.198 18887 7184 1 12 . 1 1 95 95 VAL HA H 95 3.590 3.590 3.568 0.022 18887 7185 1 12 . 1 1 95 95 VAL C C 95 176.620 176.620 178.091 -1.471 18887 7186 1 12 . 1 1 95 95 VAL CA C 95 67.220 67.220 66.490 0.730 18887 7187 1 12 . 1 1 95 95 VAL CB C 95 32.880 32.880 31.540 1.340 18887 7188 1 12 . 1 1 95 95 VAL H H 95 7.150 7.150 7.630 -0.480 18887 7189 1 12 . 1 1 96 96 ILE N N 96 119.120 119.120 120.156 -1.036 18887 7190 1 12 . 1 1 96 96 ILE HA H 96 3.380 3.380 3.528 -0.148 18887 7191 1 12 . 1 1 96 96 ILE C C 96 177.750 177.750 177.916 -0.166 18887 7192 1 12 . 1 1 96 96 ILE CA C 96 67.190 67.190 65.708 1.482 18887 7193 1 12 . 1 1 96 96 ILE CB C 96 38.440 38.440 37.479 0.961 18887 7194 1 12 . 1 1 96 96 ILE H H 96 8.380 8.380 8.532 -0.152 18887 7195 1 12 . 1 1 97 97 ASN N N 97 117.000 117.000 118.372 -1.372 18887 7196 1 12 . 1 1 97 97 ASN HA H 97 4.420 4.420 4.410 0.010 18887 7197 1 12 . 1 1 97 97 ASN C C 97 178.380 178.380 177.702 0.678 18887 7198 1 12 . 1 1 97 97 ASN CA C 97 57.430 57.430 56.734 0.696 18887 7199 1 12 . 1 1 97 97 ASN CB C 97 39.030 39.030 38.392 0.638 18887 7200 1 12 . 1 1 97 97 ASN H H 97 8.730 8.730 7.994 0.736 18887 7201 1 12 . 1 1 98 98 ALA N N 98 123.790 123.790 122.532 1.258 18887 7202 1 12 . 1 1 98 98 ALA HA H 98 4.100 4.100 4.139 -0.039 18887 7203 1 12 . 1 1 98 98 ALA C C 98 169.600 169.600 178.702 -9.102 18887 7204 1 12 . 1 1 98 98 ALA CA C 98 55.890 55.890 54.840 1.050 18887 7205 1 12 . 1 1 98 98 ALA CB C 98 18.850 18.850 18.296 0.554 18887 7206 1 12 . 1 1 98 98 ALA H H 98 7.950 7.950 8.434 -0.484 18887 7207 1 12 . 1 1 99 99 ALA N N 99 122.120 122.120 120.150 1.970 18887 7208 1 12 . 1 1 99 99 ALA HA H 99 3.930 3.930 4.061 -0.131 18887 7209 1 12 . 1 1 99 99 ALA C C 99 178.700 178.700 180.097 -1.397 18887 7210 1 12 . 1 1 99 99 ALA CA C 99 55.920 55.920 54.464 1.456 18887 7211 1 12 . 1 1 99 99 ALA CB C 99 18.960 18.960 18.905 0.055 18887 7212 1 12 . 1 1 99 99 ALA H H 99 7.930 7.930 7.532 0.398 18887 7213 1 12 . 1 1 100 100 LEU N N 100 115.870 115.870 119.847 -3.977 18887 7214 1 12 . 1 1 100 100 LEU HA H 100 3.900 3.900 3.953 -0.053 18887 7215 1 12 . 1 1 100 100 LEU C C 100 169.150 169.150 178.687 -9.537 18887 7216 1 12 . 1 1 100 100 LEU CA C 100 58.140 58.140 57.630 0.510 18887 7217 1 12 . 1 1 100 100 LEU CB C 100 41.730 41.730 41.552 0.178 18887 7218 1 12 . 1 1 100 100 LEU H H 100 8.220 8.220 8.261 -0.041 18887 7219 1 12 . 1 1 101 101 ALA N N 101 120.410 120.410 120.687 -0.277 18887 7220 1 12 . 1 1 101 101 ALA HA H 101 4.100 4.100 4.054 0.046 18887 7221 1 12 . 1 1 101 101 ALA C C 101 169.730 169.730 179.223 -9.493 18887 7222 1 12 . 1 1 101 101 ALA CA C 101 55.680 55.680 54.801 0.879 18887 7223 1 12 . 1 1 101 101 ALA CB C 101 18.860 18.860 18.050 0.810 18887 7224 1 12 . 1 1 101 101 ALA H H 101 7.970 7.970 8.373 -0.403 18887 7225 1 12 . 1 1 102 102 LEU N N 102 115.090 115.090 117.441 -2.351 18887 7226 1 12 . 1 1 102 102 LEU HA H 102 4.120 4.120 4.146 -0.026 18887 7227 1 12 . 1 1 102 102 LEU C C 102 169.060 169.060 178.773 -9.713 18887 7228 1 12 . 1 1 102 102 LEU CA C 102 57.870 57.870 57.520 0.350 18887 7229 1 12 . 1 1 102 102 LEU CB C 102 43.730 43.730 42.189 1.541 18887 7230 1 12 . 1 1 102 102 LEU H H 102 7.330 7.330 7.424 -0.094 18887 7231 1 12 . 1 1 103 103 ILE N N 103 110.170 110.170 113.011 -2.841 18887 7232 1 12 . 1 1 103 103 ILE HA H 103 4.430 4.430 4.182 0.248 18887 7233 1 12 . 1 1 103 103 ILE C C 103 176.670 176.670 177.057 -0.387 18887 7234 1 12 . 1 1 103 103 ILE CA C 103 62.520 62.520 62.830 -0.310 18887 7235 1 12 . 1 1 103 103 ILE CB C 103 40.020 40.020 38.558 1.462 18887 7236 1 12 . 1 1 103 103 ILE H H 103 7.140 7.140 7.641 -0.501 18887 7237 1 12 . 1 1 104 104 ASP N N 104 122.560 122.560 120.493 2.067 18887 7238 1 12 . 1 1 104 104 ASP HA H 104 4.650 4.650 4.730 -0.080 18887 7239 1 12 . 1 1 104 104 ASP C C 104 176.670 176.670 176.140 0.530 18887 7240 1 12 . 1 1 104 104 ASP CA C 104 56.220 56.220 54.902 1.318 18887 7241 1 12 . 1 1 104 104 ASP CB C 104 42.080 42.080 41.509 0.571 18887 7242 1 12 . 1 1 104 104 ASP H H 104 8.000 8.000 8.180 -0.180 18887 7243 1 12 . 1 1 105 105 GLU N N 105 120.750 120.750 115.753 4.997 18887 7244 1 12 . 1 1 105 105 GLU HA H 105 4.300 4.300 3.984 0.316 18887 7245 1 12 . 1 1 105 105 GLU C C 105 175.470 175.470 174.987 0.483 18887 7246 1 12 . 1 1 105 105 GLU CA C 105 57.640 57.640 57.707 -0.067 18887 7247 1 12 . 1 1 105 105 GLU CB C 105 30.870 30.870 27.522 3.348 18887 7248 1 12 . 1 1 105 105 GLU H H 105 8.030 8.030 8.005 0.025 18887 7249 1 13 . 1 1 2 2 LYS N N 2 120.950 120.950 124.887 -3.937 18887 7250 1 13 . 1 1 2 2 LYS HA H 2 4.330 4.330 4.757 -0.427 18887 7251 1 13 . 1 1 2 2 LYS C C 2 176.040 176.040 175.854 0.186 18887 7252 1 13 . 1 1 2 2 LYS CA C 2 57.850 57.850 54.967 2.883 18887 7253 1 13 . 1 1 2 2 LYS CB C 2 33.480 33.480 32.255 1.225 18887 7254 1 13 . 1 1 2 2 LYS H H 2 8.220 8.220 8.456 -0.236 18887 7255 1 13 . 1 1 3 3 ARG N N 3 120.340 120.340 125.005 -4.665 18887 7256 1 13 . 1 1 3 3 ARG HA H 3 4.660 4.660 4.190 0.470 18887 7257 1 13 . 1 1 3 3 ARG C C 3 175.960 175.960 175.922 0.038 18887 7258 1 13 . 1 1 3 3 ARG CA C 3 53.810 53.810 55.729 -1.919 18887 7259 1 13 . 1 1 3 3 ARG CB C 3 29.710 29.710 30.602 -0.892 18887 7260 1 13 . 1 1 3 3 ARG H H 3 8.220 8.220 9.035 -0.815 18887 7261 1 13 . 1 1 4 4 LYS N N 4 121.540 121.540 128.310 -6.770 18887 7262 1 13 . 1 1 4 4 LYS HA H 4 4.770 4.770 4.630 0.140 18887 7263 1 13 . 1 1 4 4 LYS C C 4 174.820 174.820 175.803 -0.983 18887 7264 1 13 . 1 1 4 4 LYS CA C 4 57.230 57.230 55.506 1.724 18887 7265 1 13 . 1 1 4 4 LYS CB C 4 33.800 33.800 31.410 2.389 18887 7266 1 13 . 1 1 4 4 LYS H H 4 8.880 8.880 8.720 0.160 18887 7267 1 13 . 1 1 5 5 ILE N N 5 125.030 125.030 126.606 -1.576 18887 7268 1 13 . 1 1 5 5 ILE HA H 5 4.530 4.530 4.803 -0.273 18887 7269 1 13 . 1 1 5 5 ILE C C 5 175.420 175.420 174.756 0.664 18887 7270 1 13 . 1 1 5 5 ILE CA C 5 61.120 61.120 60.000 1.120 18887 7271 1 13 . 1 1 5 5 ILE CB C 5 41.880 41.880 40.520 1.361 18887 7272 1 13 . 1 1 5 5 ILE H H 5 8.760 8.760 9.078 -0.318 18887 7273 1 13 . 1 1 6 6 ILE N N 6 119.270 119.270 123.136 -3.866 18887 7274 1 13 . 1 1 6 6 ILE HA H 6 5.440 5.440 4.974 0.466 18887 7275 1 13 . 1 1 6 6 ILE C C 6 173.880 173.880 173.800 0.080 18887 7276 1 13 . 1 1 6 6 ILE CA C 6 60.480 60.480 58.156 2.324 18887 7277 1 13 . 1 1 6 6 ILE CB C 6 42.120 42.120 38.347 3.772 18887 7278 1 13 . 1 1 6 6 ILE H H 6 8.110 8.110 7.896 0.214 18887 7279 1 13 . 1 1 7 7 ALA N N 7 122.330 122.330 129.127 -6.797 18887 7280 1 13 . 1 1 7 7 ALA HA H 7 5.780 5.780 5.185 0.595 18887 7281 1 13 . 1 1 7 7 ALA C C 7 173.950 173.950 175.260 -1.310 18887 7282 1 13 . 1 1 7 7 ALA CA C 7 51.280 51.280 50.315 0.965 18887 7283 1 13 . 1 1 7 7 ALA CB C 7 25.930 25.930 23.054 2.876 18887 7284 1 13 . 1 1 7 7 ALA H H 7 8.790 8.790 9.030 -0.240 18887 7285 1 13 . 1 1 8 8 VAL N N 8 119.860 119.860 122.863 -3.003 18887 7286 1 13 . 1 1 8 8 VAL HA H 8 5.190 5.190 4.918 0.272 18887 7287 1 13 . 1 1 8 8 VAL C C 8 175.590 175.590 174.856 0.734 18887 7288 1 13 . 1 1 8 8 VAL CA C 8 61.340 61.340 61.684 -0.344 18887 7289 1 13 . 1 1 8 8 VAL CB C 8 36.650 36.650 36.153 0.497 18887 7290 1 13 . 1 1 8 8 VAL H H 8 8.950 8.950 8.696 0.254 18887 7291 1 13 . 1 1 9 9 THR N N 9 116.320 116.320 121.436 -5.116 18887 7292 1 13 . 1 1 9 9 THR HA H 9 5.500 5.500 5.315 0.185 18887 7293 1 13 . 1 1 9 9 THR C C 9 172.920 172.920 172.385 0.535 18887 7294 1 13 . 1 1 9 9 THR CA C 9 59.470 59.470 59.034 0.436 18887 7295 1 13 . 1 1 9 9 THR CB C 9 71.510 71.510 70.550 0.960 18887 7296 1 13 . 1 1 9 9 THR H H 9 8.860 8.860 9.210 -0.350 18887 7297 1 13 . 1 1 10 10 ALA N N 10 121.780 121.780 131.063 -9.283 18887 7298 1 13 . 1 1 10 10 ALA HA H 10 4.800 4.800 4.963 -0.163 18887 7299 1 13 . 1 1 10 10 ALA C C 10 174.680 174.680 175.664 -0.984 18887 7300 1 13 . 1 1 10 10 ALA CA C 10 54.300 54.300 51.848 2.452 18887 7301 1 13 . 1 1 10 10 ALA CB C 10 22.940 22.940 20.712 2.228 18887 7302 1 13 . 1 1 10 10 ALA H H 10 7.710 7.710 8.456 -0.746 18887 7303 1 13 . 1 1 11 11 CYS N N 11 121.780 121.780 122.968 -1.188 18887 7304 1 13 . 1 1 11 11 CYS HA H 11 5.160 5.160 4.663 0.497 18887 7305 1 13 . 1 1 11 11 CYS C C 11 174.700 174.700 175.821 -1.121 18887 7306 1 13 . 1 1 11 11 CYS CA C 11 57.150 57.150 57.974 -0.824 18887 7307 1 13 . 1 1 11 11 CYS CB C 11 30.830 30.830 28.174 2.655 18887 7308 1 13 . 1 1 11 11 CYS H H 11 8.140 8.140 8.772 -0.632 18887 7309 1 13 . 1 1 12 12 ALA N N 12 113.900 113.900 123.560 -9.660 18887 7310 1 13 . 1 1 12 12 ALA HA H 12 4.220 4.220 4.002 0.218 18887 7311 1 13 . 1 1 12 12 ALA C C 12 168.950 168.950 178.270 -9.320 18887 7312 1 13 . 1 1 12 12 ALA CA C 12 55.270 55.270 54.610 0.660 18887 7313 1 13 . 1 1 12 12 ALA CB C 12 20.320 20.320 16.365 3.955 18887 7314 1 13 . 1 1 12 12 ALA H H 12 10.630 10.630 8.060 2.570 18887 7315 1 13 . 1 1 13 13 THR N N 13 109.490 109.490 116.840 -7.350 18887 7316 1 13 . 1 1 13 13 THR HA H 13 4.390 4.390 4.035 0.355 18887 7317 1 13 . 1 1 13 13 THR C C 13 174.870 174.870 176.125 -1.255 18887 7318 1 13 . 1 1 13 13 THR CA C 13 62.910 62.910 65.111 -2.201 18887 7319 1 13 . 1 1 13 13 THR CB C 13 70.640 70.640 69.028 1.612 18887 7320 1 13 . 1 1 13 13 THR H H 13 8.180 8.180 8.075 0.105 18887 7321 1 13 . 1 1 14 14 GLY N N 14 111.450 111.450 109.973 1.477 18887 7322 1 13 . 1 1 14 14 GLY C C 14 173.680 173.680 174.327 -0.647 18887 7323 1 13 . 1 1 14 14 GLY CA C 14 47.050 47.050 43.900 3.150 18887 7324 1 13 . 1 1 14 14 GLY H H 14 7.880 7.880 7.863 0.017 18887 7325 1 13 . 1 1 15 15 VAL N N 15 119.530 119.530 124.148 -4.618 18887 7326 1 13 . 1 1 15 15 VAL HA H 15 4.110 4.110 3.767 0.343 18887 7327 1 13 . 1 1 15 15 VAL C C 15 176.860 176.860 176.904 -0.044 18887 7328 1 13 . 1 1 15 15 VAL CA C 15 64.740 64.740 64.794 -0.054 18887 7329 1 13 . 1 1 15 15 VAL CB C 15 33.690 33.690 32.335 1.355 18887 7330 1 13 . 1 1 15 15 VAL H H 15 8.250 8.250 7.463 0.787 18887 7331 1 13 . 1 1 16 16 ALA N N 16 123.230 123.230 120.529 2.701 18887 7332 1 13 . 1 1 16 16 ALA HA H 16 4.230 4.230 4.143 0.087 18887 7333 1 13 . 1 1 16 16 ALA C C 16 170.610 170.610 179.722 -9.112 18887 7334 1 13 . 1 1 16 16 ALA CA C 16 56.280 56.280 54.894 1.386 18887 7335 1 13 . 1 1 16 16 ALA CB C 16 19.320 19.320 18.163 1.157 18887 7336 1 13 . 1 1 16 16 ALA H H 16 8.430 8.430 8.335 0.095 18887 7337 1 13 . 1 1 17 17 HIS HA H 17 4.380 4.380 4.356 0.024 18887 7338 1 13 . 1 1 17 17 HIS C C 17 177.260 177.260 178.012 -0.752 18887 7339 1 13 . 1 1 17 17 HIS CA C 17 60.060 60.060 58.466 1.594 18887 7340 1 13 . 1 1 17 17 HIS CB C 17 31.990 31.990 29.850 2.140 18887 7341 1 13 . 1 1 18 18 THR N N 18 115.830 115.830 117.638 -1.808 18887 7342 1 13 . 1 1 18 18 THR HA H 18 3.540 3.540 4.046 -0.506 18887 7343 1 13 . 1 1 18 18 THR C C 18 176.690 176.690 176.494 0.196 18887 7344 1 13 . 1 1 18 18 THR CA C 18 67.700 67.700 67.225 0.475 18887 7345 1 13 . 1 1 18 18 THR CB C 18 69.550 69.550 68.614 0.936 18887 7346 1 13 . 1 1 18 18 THR H H 18 7.590 7.590 7.634 -0.044 18887 7347 1 13 . 1 1 19 19 TYR N N 19 121.050 121.050 120.274 0.776 18887 7348 1 13 . 1 1 19 19 TYR HA H 19 4.340 4.340 4.245 0.095 18887 7349 1 13 . 1 1 19 19 TYR C C 19 178.420 178.420 177.911 0.509 18887 7350 1 13 . 1 1 19 19 TYR CA C 19 61.220 61.220 61.879 -0.659 18887 7351 1 13 . 1 1 19 19 TYR CB C 19 38.400 38.400 37.815 0.585 18887 7352 1 13 . 1 1 19 19 TYR H H 19 7.710 7.710 7.660 0.050 18887 7353 1 13 . 1 1 20 20 MET N N 20 120.220 120.220 120.588 -0.368 18887 7354 1 13 . 1 1 20 20 MET HA H 20 4.160 4.160 4.464 -0.304 18887 7355 1 13 . 1 1 20 20 MET C C 20 169.550 169.550 178.165 -8.615 18887 7356 1 13 . 1 1 20 20 MET CA C 20 60.050 60.050 57.107 2.943 18887 7357 1 13 . 1 1 20 20 MET CB C 20 34.410 34.410 32.485 1.925 18887 7358 1 13 . 1 1 20 20 MET H H 20 8.470 8.470 8.041 0.429 18887 7359 1 13 . 1 1 21 21 ALA N N 21 122.280 122.280 121.660 0.620 18887 7360 1 13 . 1 1 21 21 ALA HA H 21 3.870 3.870 3.999 -0.129 18887 7361 1 13 . 1 1 21 21 ALA C C 21 178.630 178.630 179.224 -0.594 18887 7362 1 13 . 1 1 21 21 ALA CA C 21 56.760 56.760 55.286 1.474 18887 7363 1 13 . 1 1 21 21 ALA CB C 21 19.690 19.690 18.192 1.498 18887 7364 1 13 . 1 1 21 21 ALA H H 21 8.490 8.490 8.182 0.308 18887 7365 1 13 . 1 1 22 22 ALA N N 22 120.240 120.240 121.121 -0.881 18887 7366 1 13 . 1 1 22 22 ALA HA H 22 3.900 3.900 3.922 -0.022 18887 7367 1 13 . 1 1 22 22 ALA C C 22 169.200 169.200 179.888 -10.688 18887 7368 1 13 . 1 1 22 22 ALA CA C 22 56.880 56.880 55.235 1.645 18887 7369 1 13 . 1 1 22 22 ALA CB C 22 19.560 19.560 18.265 1.295 18887 7370 1 13 . 1 1 22 22 ALA H H 22 7.660 7.660 7.909 -0.249 18887 7371 1 13 . 1 1 23 23 GLN N N 23 116.680 116.680 117.917 -1.237 18887 7372 1 13 . 1 1 23 23 GLN HA H 23 3.940 3.940 4.044 -0.104 18887 7373 1 13 . 1 1 23 23 GLN C C 23 178.500 178.500 178.394 0.106 18887 7374 1 13 . 1 1 23 23 GLN CA C 23 59.550 59.550 58.470 1.080 18887 7375 1 13 . 1 1 23 23 GLN CB C 23 29.660 29.660 28.527 1.133 18887 7376 1 13 . 1 1 23 23 GLN H H 23 8.430 8.430 8.347 0.083 18887 7377 1 13 . 1 1 24 24 ALA N N 24 121.760 121.760 123.255 -1.495 18887 7378 1 13 . 1 1 24 24 ALA HA H 24 4.140 4.140 4.063 0.077 18887 7379 1 13 . 1 1 24 24 ALA C C 24 171.490 171.490 179.569 -8.079 18887 7380 1 13 . 1 1 24 24 ALA CA C 24 56.060 56.060 54.939 1.121 18887 7381 1 13 . 1 1 24 24 ALA CB C 24 19.760 19.760 18.645 1.115 18887 7382 1 13 . 1 1 24 24 ALA H H 24 8.130 8.130 7.873 0.257 18887 7383 1 13 . 1 1 25 25 LEU N N 25 118.730 118.730 120.702 -1.972 18887 7384 1 13 . 1 1 25 25 LEU HA H 25 3.850 3.850 3.997 -0.147 18887 7385 1 13 . 1 1 25 25 LEU C C 25 177.990 177.990 178.591 -0.601 18887 7386 1 13 . 1 1 25 25 LEU CA C 25 59.280 59.280 57.971 1.309 18887 7387 1 13 . 1 1 25 25 LEU CB C 25 43.190 43.190 41.731 1.458 18887 7388 1 13 . 1 1 25 25 LEU H H 25 8.030 8.030 8.427 -0.397 18887 7389 1 13 . 1 1 26 26 LYS N N 26 118.850 118.850 118.166 0.684 18887 7390 1 13 . 1 1 26 26 LYS HA H 26 3.840 3.840 3.932 -0.092 18887 7391 1 13 . 1 1 26 26 LYS C C 26 169.460 169.460 178.682 -9.222 18887 7392 1 13 . 1 1 26 26 LYS CA C 26 61.420 61.420 59.450 1.970 18887 7393 1 13 . 1 1 26 26 LYS CB C 26 33.440 33.440 32.219 1.221 18887 7394 1 13 . 1 1 26 26 LYS H H 26 8.000 8.000 8.239 -0.239 18887 7395 1 13 . 1 1 27 27 LYS N N 27 120.350 120.350 119.595 0.755 18887 7396 1 13 . 1 1 27 27 LYS HA H 27 3.990 3.990 4.058 -0.068 18887 7397 1 13 . 1 1 27 27 LYS C C 27 169.670 169.670 178.956 -9.286 18887 7398 1 13 . 1 1 27 27 LYS CA C 27 60.700 60.700 59.418 1.282 18887 7399 1 13 . 1 1 27 27 LYS CB C 27 33.620 33.620 32.328 1.292 18887 7400 1 13 . 1 1 27 27 LYS H H 27 8.350 8.350 7.721 0.629 18887 7401 1 13 . 1 1 28 28 GLY N N 28 125.170 125.170 105.883 19.287 18887 7402 1 13 . 1 1 28 28 GLY C C 28 174.520 174.520 175.643 -1.123 18887 7403 1 13 . 1 1 28 28 GLY CA C 28 47.870 47.870 46.613 1.257 18887 7404 1 13 . 1 1 28 28 GLY H H 28 8.410 8.410 7.897 0.513 18887 7405 1 13 . 1 1 29 29 ALA N N 29 122.370 122.370 124.578 -2.208 18887 7406 1 13 . 1 1 29 29 ALA HA H 29 3.820 3.820 4.064 -0.244 18887 7407 1 13 . 1 1 29 29 ALA C C 29 169.050 169.050 179.134 -10.084 18887 7408 1 13 . 1 1 29 29 ALA CA C 29 56.840 56.840 54.957 1.883 18887 7409 1 13 . 1 1 29 29 ALA CB C 29 18.800 18.800 18.195 0.605 18887 7410 1 13 . 1 1 29 29 ALA H H 29 8.280 8.280 7.624 0.656 18887 7411 1 13 . 1 1 30 30 LYS N N 30 117.490 117.490 118.103 -0.613 18887 7412 1 13 . 1 1 30 30 LYS HA H 30 4.130 4.130 4.076 0.054 18887 7413 1 13 . 1 1 30 30 LYS C C 30 170.330 170.330 178.586 -8.256 18887 7414 1 13 . 1 1 30 30 LYS CA C 30 60.420 60.420 58.611 1.810 18887 7415 1 13 . 1 1 30 30 LYS CB C 30 33.230 33.230 32.565 0.665 18887 7416 1 13 . 1 1 30 30 LYS H H 30 7.720 7.720 7.727 -0.007 18887 7417 1 13 . 1 1 31 31 LYS N N 31 121.050 121.050 119.941 1.109 18887 7418 1 13 . 1 1 31 31 LYS HA H 31 4.020 4.020 4.073 -0.053 18887 7419 1 13 . 1 1 31 31 LYS C C 31 178.160 178.160 178.740 -0.580 18887 7420 1 13 . 1 1 31 31 LYS CA C 31 60.360 60.360 58.646 1.714 18887 7421 1 13 . 1 1 31 31 LYS CB C 31 33.380 33.380 32.062 1.318 18887 7422 1 13 . 1 1 31 31 LYS H H 31 7.930 7.930 7.452 0.478 18887 7423 1 13 . 1 1 32 32 MET N N 32 114.620 114.620 113.885 0.735 18887 7424 1 13 . 1 1 32 32 MET HA H 32 4.240 4.240 4.521 -0.281 18887 7425 1 13 . 1 1 32 32 MET C C 32 175.810 175.810 176.414 -0.604 18887 7426 1 13 . 1 1 32 32 MET CA C 32 57.400 57.400 54.938 2.462 18887 7427 1 13 . 1 1 32 32 MET CB C 32 37.710 37.710 32.599 5.111 18887 7428 1 13 . 1 1 32 32 MET H H 32 7.420 7.420 7.684 -0.264 18887 7429 1 13 . 1 1 33 33 GLY N N 33 124.900 124.900 108.486 16.414 18887 7430 1 13 . 1 1 33 33 GLY C C 33 174.340 174.340 173.517 0.823 18887 7431 1 13 . 1 1 33 33 GLY CA C 33 46.830 46.830 45.302 1.528 18887 7432 1 13 . 1 1 33 33 GLY H H 33 7.860 7.860 7.887 -0.027 18887 7433 1 13 . 1 1 34 34 ASN N N 34 116.070 116.070 116.735 -0.665 18887 7434 1 13 . 1 1 34 34 ASN HA H 34 5.210 5.210 5.315 -0.105 18887 7435 1 13 . 1 1 34 34 ASN C C 34 173.080 173.080 173.578 -0.498 18887 7436 1 13 . 1 1 34 34 ASN CA C 34 52.770 52.770 52.190 0.580 18887 7437 1 13 . 1 1 34 34 ASN CB C 34 42.880 42.880 42.476 0.404 18887 7438 1 13 . 1 1 34 34 ASN H H 34 8.160 8.160 7.829 0.331 18887 7439 1 13 . 1 1 35 35 LEU N N 35 121.450 121.450 121.310 0.140 18887 7440 1 13 . 1 1 35 35 LEU HA H 35 4.620 4.620 4.755 -0.135 18887 7441 1 13 . 1 1 35 35 LEU C C 35 174.930 174.930 175.223 -0.293 18887 7442 1 13 . 1 1 35 35 LEU CA C 35 55.150 55.150 53.907 1.243 18887 7443 1 13 . 1 1 35 35 LEU CB C 35 44.760 44.760 43.921 0.839 18887 7444 1 13 . 1 1 35 35 LEU H H 35 8.770 8.770 8.134 0.636 18887 7445 1 13 . 1 1 36 36 ILE N N 36 119.690 119.690 123.436 -3.746 18887 7446 1 13 . 1 1 36 36 ILE HA H 36 5.660 5.660 5.171 0.489 18887 7447 1 13 . 1 1 36 36 ILE C C 36 172.620 172.620 174.816 -2.196 18887 7448 1 13 . 1 1 36 36 ILE CA C 36 59.410 59.410 59.092 0.318 18887 7449 1 13 . 1 1 36 36 ILE CB C 36 44.340 44.340 41.466 2.874 18887 7450 1 13 . 1 1 36 36 ILE H H 36 8.390 8.390 8.597 -0.207 18887 7451 1 13 . 1 1 37 37 LYS N N 37 126.230 126.230 129.324 -3.094 18887 7452 1 13 . 1 1 37 37 LYS HA H 37 4.590 4.590 4.713 -0.123 18887 7453 1 13 . 1 1 37 37 LYS C C 37 174.340 174.340 174.647 -0.307 18887 7454 1 13 . 1 1 37 37 LYS CA C 37 57.050 57.050 53.970 3.080 18887 7455 1 13 . 1 1 37 37 LYS CB C 37 36.860 36.860 33.011 3.849 18887 7456 1 13 . 1 1 37 37 LYS H H 37 7.210 7.210 8.991 -1.781 18887 7457 1 13 . 1 1 38 38 VAL N N 38 124.270 124.270 125.660 -1.390 18887 7458 1 13 . 1 1 38 38 VAL HA H 38 4.920 4.920 4.807 0.113 18887 7459 1 13 . 1 1 38 38 VAL C C 38 174.660 174.660 175.814 -1.154 18887 7460 1 13 . 1 1 38 38 VAL CA C 38 61.420 61.420 61.181 0.238 18887 7461 1 13 . 1 1 38 38 VAL CB C 38 35.020 35.020 32.630 2.390 18887 7462 1 13 . 1 1 38 38 VAL H H 38 8.760 8.760 8.703 0.057 18887 7463 1 13 . 1 1 39 39 GLU N N 39 114.800 114.800 128.563 -13.763 18887 7464 1 13 . 1 1 39 39 GLU HA H 39 5.020 5.020 4.669 0.351 18887 7465 1 13 . 1 1 39 39 GLU C C 39 175.680 175.680 175.380 0.300 18887 7466 1 13 . 1 1 39 39 GLU CA C 39 55.680 55.680 54.597 1.083 18887 7467 1 13 . 1 1 39 39 GLU CB C 39 33.940 33.940 32.097 1.843 18887 7468 1 13 . 1 1 39 39 GLU H H 39 9.210 9.210 9.233 -0.023 18887 7469 1 13 . 1 1 40 40 THR N N 40 115.120 115.120 119.712 -4.592 18887 7470 1 13 . 1 1 40 40 THR HA H 40 5.180 5.180 4.744 0.436 18887 7471 1 13 . 1 1 40 40 THR C C 40 174.200 174.200 173.605 0.595 18887 7472 1 13 . 1 1 40 40 THR CA C 40 59.710 59.710 60.486 -0.776 18887 7473 1 13 . 1 1 40 40 THR CB C 40 71.270 71.270 69.175 2.095 18887 7474 1 13 . 1 1 40 40 THR H H 40 8.500 8.500 8.761 -0.261 18887 7475 1 13 . 1 1 41 41 GLN N N 41 119.850 119.850 128.577 -8.727 18887 7476 1 13 . 1 1 41 41 GLN HA H 41 4.990 4.990 4.803 0.187 18887 7477 1 13 . 1 1 41 41 GLN C C 41 175.110 175.110 174.949 0.161 18887 7478 1 13 . 1 1 41 41 GLN CA C 41 54.980 54.980 53.977 1.003 18887 7479 1 13 . 1 1 41 41 GLN CB C 41 29.780 29.780 30.960 -1.180 18887 7480 1 13 . 1 1 41 41 GLN H H 41 8.470 8.470 8.538 -0.068 18887 7481 1 13 . 1 1 42 42 GLY N N 42 109.530 109.530 113.689 -4.159 18887 7482 1 13 . 1 1 42 42 GLY C C 42 174.750 174.750 173.031 1.719 18887 7483 1 13 . 1 1 42 42 GLY CA C 42 45.630 45.630 45.110 0.520 18887 7484 1 13 . 1 1 42 42 GLY H H 42 7.890 7.890 8.687 -0.797 18887 7485 1 13 . 1 1 43 43 ALA N N 43 123.850 123.850 122.655 1.195 18887 7486 1 13 . 1 1 43 43 ALA HA H 43 4.170 4.170 4.535 -0.365 18887 7487 1 13 . 1 1 43 43 ALA C C 43 169.490 169.490 177.016 -7.526 18887 7488 1 13 . 1 1 43 43 ALA CA C 43 56.170 56.170 51.935 4.235 18887 7489 1 13 . 1 1 43 43 ALA CB C 43 19.910 19.910 18.156 1.754 18887 7490 1 13 . 1 1 43 43 ALA H H 43 8.730 8.730 8.313 0.417 18887 7491 1 13 . 1 1 44 44 THR N N 44 122.380 122.380 113.379 9.001 18887 7492 1 13 . 1 1 44 44 THR HA H 44 4.390 4.390 3.962 0.428 18887 7493 1 13 . 1 1 44 44 THR C C 44 174.260 174.260 174.076 0.184 18887 7494 1 13 . 1 1 44 44 THR CA C 44 62.190 62.190 63.679 -1.489 18887 7495 1 13 . 1 1 44 44 THR CB C 44 70.080 70.080 68.059 2.021 18887 7496 1 13 . 1 1 44 44 THR H H 44 7.950 7.950 8.527 -0.577 18887 7497 1 13 . 1 1 45 45 GLY N N 45 109.360 109.360 109.656 -0.296 18887 7498 1 13 . 1 1 45 45 GLY C C 45 172.380 172.380 172.514 -0.134 18887 7499 1 13 . 1 1 45 45 GLY CA C 45 45.510 45.510 44.431 1.079 18887 7500 1 13 . 1 1 45 45 GLY H H 45 7.560 7.560 7.934 -0.374 18887 7501 1 13 . 1 1 46 46 ILE N N 46 122.050 122.050 125.190 -3.140 18887 7502 1 13 . 1 1 46 46 ILE HA H 46 4.780 4.780 4.623 0.157 18887 7503 1 13 . 1 1 46 46 ILE C C 46 176.010 176.010 176.424 -0.414 18887 7504 1 13 . 1 1 46 46 ILE CA C 46 61.950 61.950 60.700 1.250 18887 7505 1 13 . 1 1 46 46 ILE CB C 46 40.810 40.810 39.253 1.557 18887 7506 1 13 . 1 1 46 46 ILE H H 46 8.480 8.480 8.506 -0.026 18887 7507 1 13 . 1 1 47 47 GLU N N 47 109.160 109.160 127.515 -18.355 18887 7508 1 13 . 1 1 47 47 GLU HA H 47 4.660 4.660 4.366 0.294 18887 7509 1 13 . 1 1 47 47 GLU C C 47 174.750 174.750 175.794 -1.044 18887 7510 1 13 . 1 1 47 47 GLU CA C 47 55.940 55.940 56.684 -0.744 18887 7511 1 13 . 1 1 47 47 GLU CB C 47 33.640 33.640 29.856 3.784 18887 7512 1 13 . 1 1 47 47 GLU H H 47 9.000 9.000 8.704 0.296 18887 7513 1 13 . 1 1 48 48 ASN N N 48 120.510 120.510 118.015 2.495 18887 7514 1 13 . 1 1 48 48 ASN HA H 48 4.230 4.230 4.650 -0.420 18887 7515 1 13 . 1 1 48 48 ASN C C 48 173.090 173.090 173.777 -0.687 18887 7516 1 13 . 1 1 48 48 ASN CA C 48 54.770 54.770 53.465 1.305 18887 7517 1 13 . 1 1 48 48 ASN CB C 48 38.800 38.800 39.461 -0.661 18887 7518 1 13 . 1 1 48 48 ASN H H 48 8.930 8.930 7.810 1.120 18887 7519 1 13 . 1 1 49 49 GLU N N 49 114.160 114.160 120.930 -6.770 18887 7520 1 13 . 1 1 49 49 GLU HA H 49 3.890 3.890 4.267 -0.377 18887 7521 1 13 . 1 1 49 49 GLU C C 49 177.780 177.780 175.151 2.629 18887 7522 1 13 . 1 1 49 49 GLU CA C 49 57.870 57.870 57.181 0.689 18887 7523 1 13 . 1 1 49 49 GLU CB C 49 31.900 31.900 28.764 3.136 18887 7524 1 13 . 1 1 49 49 GLU H H 49 7.690 7.690 8.366 -0.676 18887 7525 1 13 . 1 1 50 50 LEU N N 50 109.440 109.440 126.832 -17.392 18887 7526 1 13 . 1 1 50 50 LEU HA H 50 4.680 4.680 4.265 0.415 18887 7527 1 13 . 1 1 50 50 LEU C C 50 177.490 177.490 177.913 -0.423 18887 7528 1 13 . 1 1 50 50 LEU CA C 50 55.520 55.520 55.351 0.169 18887 7529 1 13 . 1 1 50 50 LEU CB C 50 43.440 43.440 42.271 1.169 18887 7530 1 13 . 1 1 50 50 LEU H H 50 9.560 9.560 8.416 1.144 18887 7531 1 13 . 1 1 51 51 THR N N 51 117.490 117.490 115.369 2.121 18887 7532 1 13 . 1 1 51 51 THR HA H 51 4.420 4.420 4.305 0.115 18887 7533 1 13 . 1 1 51 51 THR C C 51 175.010 175.010 175.651 -0.641 18887 7534 1 13 . 1 1 51 51 THR CA C 51 61.230 61.230 61.474 -0.244 18887 7535 1 13 . 1 1 51 51 THR CB C 51 72.860 72.860 70.753 2.107 18887 7536 1 13 . 1 1 51 51 THR H H 51 9.380 9.380 8.343 1.037 18887 7537 1 13 . 1 1 52 52 GLU N N 52 120.490 120.490 123.112 -2.622 18887 7538 1 13 . 1 1 52 52 GLU HA H 52 3.860 3.860 3.958 -0.098 18887 7539 1 13 . 1 1 52 52 GLU C C 52 178.660 178.660 178.643 0.017 18887 7540 1 13 . 1 1 52 52 GLU CA C 52 61.130 61.130 60.654 0.476 18887 7541 1 13 . 1 1 52 52 GLU CB C 52 30.280 30.280 29.515 0.765 18887 7542 1 13 . 1 1 52 52 GLU H H 52 8.910 8.910 9.036 -0.126 18887 7543 1 13 . 1 1 53 53 LYS N N 53 118.660 118.660 119.277 -0.617 18887 7544 1 13 . 1 1 53 53 LYS HA H 53 4.020 4.020 4.089 -0.069 18887 7545 1 13 . 1 1 53 53 LYS C C 53 178.190 178.190 178.903 -0.713 18887 7546 1 13 . 1 1 53 53 LYS CA C 53 60.390 60.390 58.815 1.575 18887 7547 1 13 . 1 1 53 53 LYS CB C 53 33.210 33.210 32.009 1.201 18887 7548 1 13 . 1 1 53 53 LYS H H 53 7.890 7.890 8.099 -0.209 18887 7549 1 13 . 1 1 54 54 ASP N N 54 118.400 118.400 120.587 -2.187 18887 7550 1 13 . 1 1 54 54 ASP HA H 54 4.200 4.200 4.368 -0.168 18887 7551 1 13 . 1 1 54 54 ASP C C 54 169.070 169.070 178.826 -9.756 18887 7552 1 13 . 1 1 54 54 ASP CA C 54 58.300 58.300 57.942 0.358 18887 7553 1 13 . 1 1 54 54 ASP CB C 54 43.110 43.110 40.858 2.252 18887 7554 1 13 . 1 1 54 54 ASP H H 54 7.440 7.440 8.216 -0.776 18887 7555 1 13 . 1 1 55 55 VAL N N 55 118.420 118.420 119.886 -1.466 18887 7556 1 13 . 1 1 55 55 VAL HA H 55 3.520 3.520 3.861 -0.341 18887 7557 1 13 . 1 1 55 55 VAL C C 55 176.980 176.980 177.738 -0.758 18887 7558 1 13 . 1 1 55 55 VAL CA C 55 66.950 66.950 66.544 0.406 18887 7559 1 13 . 1 1 55 55 VAL CB C 55 32.360 32.360 31.261 1.099 18887 7560 1 13 . 1 1 55 55 VAL H H 55 8.150 8.150 8.481 -0.331 18887 7561 1 13 . 1 1 56 56 ASN N N 56 117.100 117.100 116.655 0.445 18887 7562 1 13 . 1 1 56 56 ASN HA H 56 4.410 4.410 4.600 -0.190 18887 7563 1 13 . 1 1 56 56 ASN C C 56 177.330 177.330 177.360 -0.030 18887 7564 1 13 . 1 1 56 56 ASN CA C 56 57.170 57.170 55.646 1.524 18887 7565 1 13 . 1 1 56 56 ASN CB C 56 39.930 39.930 39.231 0.699 18887 7566 1 13 . 1 1 56 56 ASN H H 56 8.000 8.000 7.583 0.417 18887 7567 1 13 . 1 1 57 57 ILE N N 57 115.580 115.580 119.127 -3.547 18887 7568 1 13 . 1 1 57 57 ILE HA H 57 3.950 3.950 3.895 0.055 18887 7569 1 13 . 1 1 57 57 ILE C C 57 176.980 176.980 176.677 0.303 18887 7570 1 13 . 1 1 57 57 ILE CA C 57 63.240 63.240 64.137 -0.897 18887 7571 1 13 . 1 1 57 57 ILE CB C 57 39.890 39.890 38.428 1.462 18887 7572 1 13 . 1 1 57 57 ILE H H 57 7.600 7.600 7.875 -0.275 18887 7573 1 13 . 1 1 58 58 GLY N N 58 124.080 124.080 105.561 18.519 18887 7574 1 13 . 1 1 58 58 GLY C C 58 173.190 173.190 173.409 -0.219 18887 7575 1 13 . 1 1 58 58 GLY CA C 58 47.110 47.110 44.722 2.388 18887 7576 1 13 . 1 1 58 58 GLY H H 58 7.630 7.630 7.947 -0.317 18887 7577 1 13 . 1 1 59 59 GLU N N 59 123.240 123.240 123.253 -0.013 18887 7578 1 13 . 1 1 59 59 GLU HA H 59 4.240 4.240 4.392 -0.152 18887 7579 1 13 . 1 1 59 59 GLU C C 59 176.750 176.750 176.414 0.336 18887 7580 1 13 . 1 1 59 59 GLU CA C 59 59.830 59.830 57.552 2.278 18887 7581 1 13 . 1 1 59 59 GLU CB C 59 33.100 33.100 31.096 2.004 18887 7582 1 13 . 1 1 59 59 GLU H H 59 9.350 9.350 8.694 0.656 18887 7583 1 13 . 1 1 60 60 VAL N N 60 114.370 114.370 118.438 -4.068 18887 7584 1 13 . 1 1 60 60 VAL HA H 60 4.410 4.410 4.372 0.038 18887 7585 1 13 . 1 1 60 60 VAL C C 60 170.270 170.270 174.137 -3.867 18887 7586 1 13 . 1 1 60 60 VAL CA C 60 60.710 60.710 60.648 0.062 18887 7587 1 13 . 1 1 60 60 VAL CB C 60 35.150 35.150 33.444 1.706 18887 7588 1 13 . 1 1 60 60 VAL H H 60 7.640 7.640 7.687 -0.047 18887 7589 1 13 . 1 1 61 61 VAL N N 61 125.780 125.780 126.478 -0.698 18887 7590 1 13 . 1 1 61 61 VAL HA H 61 4.970 4.970 4.726 0.244 18887 7591 1 13 . 1 1 61 61 VAL C C 61 174.450 174.450 174.822 -0.372 18887 7592 1 13 . 1 1 61 61 VAL CA C 61 60.260 60.260 59.362 0.898 18887 7593 1 13 . 1 1 61 61 VAL CB C 61 34.710 34.710 33.272 1.438 18887 7594 1 13 . 1 1 61 61 VAL H H 61 8.290 8.290 8.396 -0.106 18887 7595 1 13 . 1 1 62 62 ILE N N 62 124.740 124.740 125.008 -0.268 18887 7596 1 13 . 1 1 62 62 ILE HA H 62 4.820 4.820 4.457 0.363 18887 7597 1 13 . 1 1 62 62 ILE C C 62 175.020 175.020 174.263 0.757 18887 7598 1 13 . 1 1 62 62 ILE CA C 62 60.490 60.490 60.165 0.325 18887 7599 1 13 . 1 1 62 62 ILE CB C 62 42.560 42.560 39.902 2.658 18887 7600 1 13 . 1 1 62 62 ILE H H 62 8.580 8.580 8.472 0.108 18887 7601 1 13 . 1 1 63 63 PHE N N 63 109.510 109.510 127.627 -18.117 18887 7602 1 13 . 1 1 63 63 PHE HA H 63 5.490 5.490 5.219 0.271 18887 7603 1 13 . 1 1 63 63 PHE C C 63 173.600 173.600 174.145 -0.545 18887 7604 1 13 . 1 1 63 63 PHE CA C 63 53.020 53.020 54.590 -1.569 18887 7605 1 13 . 1 1 63 63 PHE CB C 63 40.150 40.150 41.160 -1.010 18887 7606 1 13 . 1 1 63 63 PHE H H 63 9.320 9.320 9.244 0.076 18887 7607 1 13 . 1 1 64 64 ALA N N 64 112.790 112.790 129.197 -16.407 18887 7608 1 13 . 1 1 64 64 ALA HA H 64 5.430 5.430 5.633 -0.203 18887 7609 1 13 . 1 1 64 64 ALA C C 64 175.040 175.040 175.445 -0.405 18887 7610 1 13 . 1 1 64 64 ALA CA C 64 50.740 50.740 50.167 0.573 18887 7611 1 13 . 1 1 64 64 ALA CB C 64 19.690 19.690 20.307 -0.617 18887 7612 1 13 . 1 1 64 64 ALA H H 64 8.840 8.840 8.978 -0.138 18887 7613 1 13 . 1 1 65 65 VAL N N 65 110.260 110.260 118.108 -7.848 18887 7614 1 13 . 1 1 65 65 VAL HA H 65 5.690 5.690 4.663 1.027 18887 7615 1 13 . 1 1 65 65 VAL C C 65 175.380 175.380 173.558 1.822 18887 7616 1 13 . 1 1 65 65 VAL CA C 65 59.060 59.060 59.828 -0.767 18887 7617 1 13 . 1 1 65 65 VAL CB C 65 38.800 38.800 35.095 3.705 18887 7618 1 13 . 1 1 65 65 VAL H H 65 8.080 8.080 7.463 0.617 18887 7619 1 13 . 1 1 66 66 ASP N N 66 119.250 119.250 118.569 0.681 18887 7620 1 13 . 1 1 66 66 ASP HA H 66 4.870 4.870 4.931 -0.061 18887 7621 1 13 . 1 1 66 66 ASP C C 66 175.600 175.600 176.085 -0.485 18887 7622 1 13 . 1 1 66 66 ASP CA C 66 53.780 53.780 54.424 -0.644 18887 7623 1 13 . 1 1 66 66 ASP CB C 66 42.910 42.910 43.834 -0.924 18887 7624 1 13 . 1 1 66 66 ASP H H 66 7.760 7.760 8.815 -1.055 18887 7625 1 13 . 1 1 67 67 THR N N 67 112.330 112.330 114.681 -2.351 18887 7626 1 13 . 1 1 67 67 THR HA H 67 4.510 4.510 4.635 -0.125 18887 7627 1 13 . 1 1 67 67 THR C C 67 172.370 172.370 173.261 -0.891 18887 7628 1 13 . 1 1 67 67 THR CA C 67 59.650 59.650 60.321 -0.671 18887 7629 1 13 . 1 1 67 67 THR CB C 67 70.230 70.230 69.919 0.311 18887 7630 1 13 . 1 1 67 67 THR H H 67 7.070 7.070 7.598 -0.528 18887 7631 1 13 . 1 1 68 68 LYS N N 68 121.380 121.380 120.875 0.505 18887 7632 1 13 . 1 1 68 68 LYS HA H 68 4.080 4.080 4.318 -0.238 18887 7633 1 13 . 1 1 68 68 LYS C C 68 176.250 176.250 175.468 0.782 18887 7634 1 13 . 1 1 68 68 LYS CA C 68 57.470 57.470 56.097 1.373 18887 7635 1 13 . 1 1 68 68 LYS CB C 68 34.020 34.020 32.801 1.219 18887 7636 1 13 . 1 1 68 68 LYS H H 68 7.540 7.540 8.204 -0.664 18887 7637 1 13 . 1 1 69 69 VAL N N 69 125.310 125.310 120.617 4.693 18887 7638 1 13 . 1 1 69 69 VAL HA H 69 3.320 3.320 4.210 -0.890 18887 7639 1 13 . 1 1 69 69 VAL C C 69 175.890 175.890 176.310 -0.420 18887 7640 1 13 . 1 1 69 69 VAL CA C 69 64.110 64.110 61.015 3.095 18887 7641 1 13 . 1 1 69 69 VAL CB C 69 33.810 33.810 34.759 -0.949 18887 7642 1 13 . 1 1 69 69 VAL H H 69 8.320 8.320 8.234 0.086 18887 7643 1 13 . 1 1 70 70 ARG N N 70 111.240 111.240 125.153 -13.913 18887 7644 1 13 . 1 1 70 70 ARG HA H 70 4.160 4.160 4.278 -0.118 18887 7645 1 13 . 1 1 70 70 ARG C C 70 177.030 177.030 177.349 -0.319 18887 7646 1 13 . 1 1 70 70 ARG CA C 70 57.630 57.630 58.324 -0.694 18887 7647 1 13 . 1 1 70 70 ARG CB C 70 31.440 31.440 30.541 0.898 18887 7648 1 13 . 1 1 70 70 ARG H H 70 9.580 9.580 8.741 0.839 18887 7649 1 13 . 1 1 71 71 ASN N N 71 120.660 120.660 117.526 3.134 18887 7650 1 13 . 1 1 71 71 ASN HA H 71 4.670 4.670 4.519 0.151 18887 7651 1 13 . 1 1 71 71 ASN C C 71 177.530 177.530 175.835 1.695 18887 7652 1 13 . 1 1 71 71 ASN CA C 71 54.770 54.770 54.653 0.117 18887 7653 1 13 . 1 1 71 71 ASN CB C 71 37.130 37.130 38.506 -1.376 18887 7654 1 13 . 1 1 71 71 ASN H H 71 9.170 9.170 8.664 0.506 18887 7655 1 13 . 1 1 72 72 LYS N N 72 120.730 120.730 119.242 1.488 18887 7656 1 13 . 1 1 72 72 LYS HA H 72 4.010 4.010 4.370 -0.360 18887 7657 1 13 . 1 1 72 72 LYS C C 72 177.790 177.790 178.108 -0.318 18887 7658 1 13 . 1 1 72 72 LYS CA C 72 59.910 59.910 59.837 0.073 18887 7659 1 13 . 1 1 72 72 LYS CB C 72 33.260 33.260 32.303 0.957 18887 7660 1 13 . 1 1 72 72 LYS H H 72 8.400 8.400 7.319 1.081 18887 7661 1 13 . 1 1 73 73 GLU N N 73 122.670 122.670 117.027 5.643 18887 7662 1 13 . 1 1 73 73 GLU HA H 73 4.160 4.160 4.107 0.053 18887 7663 1 13 . 1 1 73 73 GLU C C 73 177.620 177.620 178.830 -1.210 18887 7664 1 13 . 1 1 73 73 GLU CA C 73 60.380 60.380 58.721 1.659 18887 7665 1 13 . 1 1 73 73 GLU CB C 73 28.660 28.660 28.703 -0.043 18887 7666 1 13 . 1 1 73 73 GLU H H 73 9.960 9.960 8.575 1.385 18887 7667 1 13 . 1 1 74 74 ARG N N 74 117.370 117.370 119.695 -2.325 18887 7668 1 13 . 1 1 74 74 ARG HA H 74 3.770 3.770 4.024 -0.254 18887 7669 1 13 . 1 1 74 74 ARG C C 74 177.380 177.380 177.627 -0.247 18887 7670 1 13 . 1 1 74 74 ARG CA C 74 59.010 59.010 58.302 0.708 18887 7671 1 13 . 1 1 74 74 ARG CB C 74 32.720 32.720 30.061 2.659 18887 7672 1 13 . 1 1 74 74 ARG H H 74 6.830 6.830 7.512 -0.682 18887 7673 1 13 . 1 1 75 75 PHE N N 75 112.920 112.920 113.515 -0.595 18887 7674 1 13 . 1 1 75 75 PHE HA H 75 4.280 4.280 4.702 -0.422 18887 7675 1 13 . 1 1 75 75 PHE C C 75 174.870 174.870 176.198 -1.328 18887 7676 1 13 . 1 1 75 75 PHE CA C 75 57.370 57.370 55.518 1.852 18887 7677 1 13 . 1 1 75 75 PHE CB C 75 39.380 39.380 38.154 1.226 18887 7678 1 13 . 1 1 75 75 PHE H H 75 7.670 7.670 7.143 0.527 18887 7679 1 13 . 1 1 76 76 ASP N N 76 121.780 121.780 122.414 -0.634 18887 7680 1 13 . 1 1 76 76 ASP HA H 76 4.380 4.380 4.611 -0.231 18887 7681 1 13 . 1 1 76 76 ASP C C 76 177.380 177.380 177.426 -0.046 18887 7682 1 13 . 1 1 76 76 ASP CA C 76 57.700 57.700 56.623 1.077 18887 7683 1 13 . 1 1 76 76 ASP CB C 76 41.270 41.270 41.230 0.040 18887 7684 1 13 . 1 1 76 76 ASP H H 76 7.210 7.210 7.540 -0.330 18887 7685 1 13 . 1 1 77 77 GLY N N 77 111.910 111.910 107.822 4.088 18887 7686 1 13 . 1 1 77 77 GLY C C 77 174.310 174.310 174.121 0.189 18887 7687 1 13 . 1 1 77 77 GLY CA C 77 46.290 46.290 45.032 1.258 18887 7688 1 13 . 1 1 77 77 GLY H H 77 8.920 8.920 8.580 0.340 18887 7689 1 13 . 1 1 78 78 LYS N N 78 117.910 117.910 119.721 -1.811 18887 7690 1 13 . 1 1 78 78 LYS HA H 78 4.540 4.540 4.757 -0.217 18887 7691 1 13 . 1 1 78 78 LYS C C 78 175.910 175.910 175.438 0.472 18887 7692 1 13 . 1 1 78 78 LYS CA C 78 53.410 53.410 54.536 -1.126 18887 7693 1 13 . 1 1 78 78 LYS CB C 78 32.780 32.780 35.608 -2.828 18887 7694 1 13 . 1 1 78 78 LYS H H 78 7.700 7.700 7.428 0.272 18887 7695 1 13 . 1 1 79 79 VAL N N 79 124.500 124.500 120.365 4.135 18887 7696 1 13 . 1 1 79 79 VAL HA H 79 3.850 3.850 4.184 -0.334 18887 7697 1 13 . 1 1 79 79 VAL C C 79 174.140 174.140 174.416 -0.276 18887 7698 1 13 . 1 1 79 79 VAL CA C 79 64.810 64.810 62.150 2.660 18887 7699 1 13 . 1 1 79 79 VAL CB C 79 32.390 32.390 32.164 0.226 18887 7700 1 13 . 1 1 79 79 VAL H H 79 8.890 8.890 8.632 0.258 18887 7701 1 13 . 1 1 80 80 VAL N N 80 125.810 125.810 126.948 -1.138 18887 7702 1 13 . 1 1 80 80 VAL HA H 80 4.690 4.690 4.698 -0.008 18887 7703 1 13 . 1 1 80 80 VAL C C 80 175.270 175.270 174.060 1.210 18887 7704 1 13 . 1 1 80 80 VAL CA C 80 60.670 60.670 60.344 0.326 18887 7705 1 13 . 1 1 80 80 VAL CB C 80 35.970 35.970 35.645 0.325 18887 7706 1 13 . 1 1 80 80 VAL H H 80 7.860 7.860 8.254 -0.394 18887 7707 1 13 . 1 1 81 81 LEU N N 81 110.550 110.550 129.324 -18.774 18887 7708 1 13 . 1 1 81 81 LEU HA H 81 4.490 4.490 4.769 -0.279 18887 7709 1 13 . 1 1 81 81 LEU C C 81 173.930 173.930 174.873 -0.943 18887 7710 1 13 . 1 1 81 81 LEU CA C 81 54.410 54.410 53.834 0.576 18887 7711 1 13 . 1 1 81 81 LEU CB C 81 45.100 45.100 44.416 0.683 18887 7712 1 13 . 1 1 81 81 LEU H H 81 8.790 8.790 8.984 -0.194 18887 7713 1 13 . 1 1 82 82 GLU N N 82 111.070 111.070 128.526 -17.456 18887 7714 1 13 . 1 1 82 82 GLU HA H 82 5.460 5.460 4.884 0.576 18887 7715 1 13 . 1 1 82 82 GLU C C 82 175.440 175.440 175.456 -0.016 18887 7716 1 13 . 1 1 82 82 GLU CA C 82 56.010 56.010 55.205 0.805 18887 7717 1 13 . 1 1 82 82 GLU CB C 82 32.100 32.100 30.898 1.202 18887 7718 1 13 . 1 1 82 82 GLU H H 82 8.750 8.750 8.737 0.013 18887 7719 1 13 . 1 1 83 83 VAL N N 83 119.980 119.980 122.492 -2.512 18887 7720 1 13 . 1 1 83 83 VAL HA H 83 4.950 4.950 4.712 0.238 18887 7721 1 13 . 1 1 83 83 VAL C C 83 172.120 172.120 173.518 -1.398 18887 7722 1 13 . 1 1 83 83 VAL CA C 83 58.760 58.760 58.196 0.564 18887 7723 1 13 . 1 1 83 83 VAL CB C 83 34.570 34.570 32.790 1.780 18887 7724 1 13 . 1 1 83 83 VAL H H 83 9.390 9.390 8.852 0.538 18887 7725 1 13 . 1 1 84 84 PRO HA H 84 4.740 4.740 4.453 0.287 18887 7726 1 13 . 1 1 84 84 PRO C C 84 178.300 178.300 178.008 0.292 18887 7727 1 13 . 1 1 84 84 PRO CA C 84 63.330 63.330 62.788 0.542 18887 7728 1 13 . 1 1 84 84 PRO CB C 84 33.430 33.430 32.098 1.332 18887 7729 1 13 . 1 1 85 85 VAL N N 85 122.390 122.390 122.107 0.283 18887 7730 1 13 . 1 1 85 85 VAL HA H 85 3.320 3.320 3.761 -0.441 18887 7731 1 13 . 1 1 85 85 VAL C C 85 174.190 174.190 176.048 -1.858 18887 7732 1 13 . 1 1 85 85 VAL CA C 85 66.540 66.540 64.041 2.499 18887 7733 1 13 . 1 1 85 85 VAL CB C 85 32.970 32.970 31.966 1.004 18887 7734 1 13 . 1 1 85 85 VAL H H 85 7.240 7.240 8.571 -1.331 18887 7735 1 13 . 1 1 86 86 SER N N 86 125.590 125.590 113.267 12.323 18887 7736 1 13 . 1 1 86 86 SER HA H 86 4.020 4.020 4.128 -0.108 18887 7737 1 13 . 1 1 86 86 SER C C 86 176.940 176.940 176.026 0.914 18887 7738 1 13 . 1 1 86 86 SER CA C 86 60.200 60.200 61.256 -1.056 18887 7739 1 13 . 1 1 86 86 SER CB C 86 64.060 64.060 62.692 1.368 18887 7740 1 13 . 1 1 86 86 SER H H 86 7.600 7.600 8.049 -0.449 18887 7741 1 13 . 1 1 87 87 ALA N N 87 125.200 125.200 124.612 0.588 18887 7742 1 13 . 1 1 87 87 ALA HA H 87 4.280 4.280 4.264 0.016 18887 7743 1 13 . 1 1 87 87 ALA C C 87 177.370 177.370 175.845 1.525 18887 7744 1 13 . 1 1 87 87 ALA CA C 87 57.600 57.600 56.008 1.592 18887 7745 1 13 . 1 1 87 87 ALA CB C 87 16.620 16.620 16.709 -0.089 18887 7746 1 13 . 1 1 87 87 ALA H H 87 7.870 7.870 7.928 -0.058 18887 7747 1 13 . 1 1 88 88 PRO HA H 88 4.000 4.000 4.443 -0.443 18887 7748 1 13 . 1 1 88 88 PRO C C 88 175.090 175.090 176.690 -1.600 18887 7749 1 13 . 1 1 88 88 PRO CA C 88 65.410 65.410 63.661 1.749 18887 7750 1 13 . 1 1 88 88 PRO CB C 88 32.130 32.130 30.881 1.249 18887 7751 1 13 . 1 1 89 89 ILE N N 89 114.700 114.700 118.932 -4.232 18887 7752 1 13 . 1 1 89 89 ILE HA H 89 3.310 3.310 3.966 -0.656 18887 7753 1 13 . 1 1 89 89 ILE C C 89 177.850 177.850 177.593 0.257 18887 7754 1 13 . 1 1 89 89 ILE CA C 89 66.320 66.320 63.734 2.586 18887 7755 1 13 . 1 1 89 89 ILE CB C 89 38.790 38.790 38.335 0.455 18887 7756 1 13 . 1 1 89 89 ILE H H 89 6.300 6.300 7.197 -0.897 18887 7757 1 13 . 1 1 90 90 LYS N N 90 118.530 118.530 117.206 1.324 18887 7758 1 13 . 1 1 90 90 LYS HA H 90 4.060 4.060 4.349 -0.289 18887 7759 1 13 . 1 1 90 90 LYS C C 90 177.390 177.390 177.015 0.375 18887 7760 1 13 . 1 1 90 90 LYS CA C 90 59.710 59.710 57.339 2.371 18887 7761 1 13 . 1 1 90 90 LYS CB C 90 33.940 33.940 33.278 0.662 18887 7762 1 13 . 1 1 90 90 LYS H H 90 7.440 7.440 8.114 -0.674 18887 7763 1 13 . 1 1 91 91 ASP N N 91 114.670 114.670 119.378 -4.708 18887 7764 1 13 . 1 1 91 91 ASP HA H 91 4.530 4.530 4.908 -0.378 18887 7765 1 13 . 1 1 91 91 ASP C C 91 174.350 174.350 175.730 -1.380 18887 7766 1 13 . 1 1 91 91 ASP CA C 91 55.120 55.120 53.571 1.549 18887 7767 1 13 . 1 1 91 91 ASP CB C 91 41.530 41.530 41.694 -0.164 18887 7768 1 13 . 1 1 91 91 ASP H H 91 7.700 7.700 7.595 0.105 18887 7769 1 13 . 1 1 92 92 ALA N N 92 111.350 111.350 122.938 -11.588 18887 7770 1 13 . 1 1 92 92 ALA HA H 92 3.830 3.830 3.931 -0.101 18887 7771 1 13 . 1 1 92 92 ALA C C 92 169.330 169.330 178.991 -9.661 18887 7772 1 13 . 1 1 92 92 ALA CA C 92 57.220 57.220 55.802 1.418 18887 7773 1 13 . 1 1 92 92 ALA CB C 92 20.700 20.700 18.732 1.968 18887 7774 1 13 . 1 1 92 92 ALA H H 92 8.860 8.860 8.310 0.550 18887 7775 1 13 . 1 1 93 93 GLU N N 93 117.860 117.860 117.277 0.583 18887 7776 1 13 . 1 1 93 93 GLU HA H 93 3.860 3.860 3.933 -0.073 18887 7777 1 13 . 1 1 93 93 GLU C C 93 177.970 177.970 178.494 -0.524 18887 7778 1 13 . 1 1 93 93 GLU CA C 93 61.240 61.240 59.787 1.453 18887 7779 1 13 . 1 1 93 93 GLU CB C 93 30.570 30.570 28.874 1.696 18887 7780 1 13 . 1 1 93 93 GLU H H 93 8.520 8.520 8.767 -0.247 18887 7781 1 13 . 1 1 94 94 LYS N N 94 119.790 119.790 119.374 0.416 18887 7782 1 13 . 1 1 94 94 LYS HA H 94 3.930 3.930 4.105 -0.175 18887 7783 1 13 . 1 1 94 94 LYS C C 94 169.840 169.840 179.019 -9.179 18887 7784 1 13 . 1 1 94 94 LYS CA C 94 60.600 60.600 58.865 1.735 18887 7785 1 13 . 1 1 94 94 LYS CB C 94 33.550 33.550 31.749 1.801 18887 7786 1 13 . 1 1 94 94 LYS H H 94 7.670 7.670 7.281 0.389 18887 7787 1 13 . 1 1 95 95 VAL N N 95 118.850 118.850 120.260 -1.410 18887 7788 1 13 . 1 1 95 95 VAL HA H 95 3.590 3.590 3.698 -0.108 18887 7789 1 13 . 1 1 95 95 VAL C C 95 176.620 176.620 178.238 -1.618 18887 7790 1 13 . 1 1 95 95 VAL CA C 95 67.220 67.220 66.299 0.921 18887 7791 1 13 . 1 1 95 95 VAL CB C 95 32.880 32.880 30.914 1.966 18887 7792 1 13 . 1 1 95 95 VAL H H 95 7.150 7.150 8.115 -0.965 18887 7793 1 13 . 1 1 96 96 ILE N N 96 119.120 119.120 120.674 -1.554 18887 7794 1 13 . 1 1 96 96 ILE HA H 96 3.380 3.380 3.530 -0.150 18887 7795 1 13 . 1 1 96 96 ILE C C 96 177.750 177.750 178.154 -0.404 18887 7796 1 13 . 1 1 96 96 ILE CA C 96 67.190 67.190 65.607 1.583 18887 7797 1 13 . 1 1 96 96 ILE CB C 96 38.440 38.440 37.396 1.044 18887 7798 1 13 . 1 1 96 96 ILE H H 96 8.380 8.380 8.017 0.363 18887 7799 1 13 . 1 1 97 97 ASN N N 97 117.000 117.000 118.227 -1.227 18887 7800 1 13 . 1 1 97 97 ASN HA H 97 4.420 4.420 4.460 -0.040 18887 7801 1 13 . 1 1 97 97 ASN C C 97 178.380 178.380 177.752 0.628 18887 7802 1 13 . 1 1 97 97 ASN CA C 97 57.430 57.430 56.118 1.312 18887 7803 1 13 . 1 1 97 97 ASN CB C 97 39.030 39.030 37.942 1.088 18887 7804 1 13 . 1 1 97 97 ASN H H 97 8.730 8.730 8.114 0.616 18887 7805 1 13 . 1 1 98 98 ALA N N 98 123.790 123.790 123.026 0.764 18887 7806 1 13 . 1 1 98 98 ALA HA H 98 4.100 4.100 4.003 0.097 18887 7807 1 13 . 1 1 98 98 ALA C C 98 169.600 169.600 178.950 -9.350 18887 7808 1 13 . 1 1 98 98 ALA CA C 98 55.890 55.890 54.866 1.024 18887 7809 1 13 . 1 1 98 98 ALA CB C 98 18.850 18.850 18.457 0.393 18887 7810 1 13 . 1 1 98 98 ALA H H 98 7.950 7.950 8.427 -0.477 18887 7811 1 13 . 1 1 99 99 ALA N N 99 122.120 122.120 121.238 0.882 18887 7812 1 13 . 1 1 99 99 ALA HA H 99 3.930 3.930 3.964 -0.034 18887 7813 1 13 . 1 1 99 99 ALA C C 99 178.700 178.700 179.532 -0.832 18887 7814 1 13 . 1 1 99 99 ALA CA C 99 55.920 55.920 54.941 0.978 18887 7815 1 13 . 1 1 99 99 ALA CB C 99 18.960 18.960 18.463 0.497 18887 7816 1 13 . 1 1 99 99 ALA H H 99 7.930 7.930 8.066 -0.136 18887 7817 1 13 . 1 1 100 100 LEU N N 100 115.870 115.870 117.433 -1.563 18887 7818 1 13 . 1 1 100 100 LEU HA H 100 3.900 3.900 4.011 -0.111 18887 7819 1 13 . 1 1 100 100 LEU C C 100 169.150 169.150 178.216 -9.066 18887 7820 1 13 . 1 1 100 100 LEU CA C 100 58.140 58.140 57.044 1.095 18887 7821 1 13 . 1 1 100 100 LEU CB C 100 41.730 41.730 41.697 0.033 18887 7822 1 13 . 1 1 100 100 LEU H H 100 8.220 8.220 7.617 0.603 18887 7823 1 13 . 1 1 101 101 ALA N N 101 120.410 120.410 120.311 0.099 18887 7824 1 13 . 1 1 101 101 ALA HA H 101 4.100 4.100 4.066 0.034 18887 7825 1 13 . 1 1 101 101 ALA C C 101 169.730 169.730 179.616 -9.886 18887 7826 1 13 . 1 1 101 101 ALA CA C 101 55.680 55.680 54.406 1.274 18887 7827 1 13 . 1 1 101 101 ALA CB C 101 18.860 18.860 18.957 -0.097 18887 7828 1 13 . 1 1 101 101 ALA H H 101 7.970 7.970 7.429 0.541 18887 7829 1 13 . 1 1 102 102 LEU N N 102 115.090 115.090 118.366 -3.276 18887 7830 1 13 . 1 1 102 102 LEU HA H 102 4.120 4.120 4.023 0.097 18887 7831 1 13 . 1 1 102 102 LEU C C 102 169.060 169.060 178.606 -9.546 18887 7832 1 13 . 1 1 102 102 LEU CA C 102 57.870 57.870 57.489 0.381 18887 7833 1 13 . 1 1 102 102 LEU CB C 102 43.730 43.730 42.114 1.616 18887 7834 1 13 . 1 1 102 102 LEU H H 102 7.330 7.330 7.584 -0.254 18887 7835 1 13 . 1 1 103 103 ILE N N 103 110.170 110.170 110.440 -0.270 18887 7836 1 13 . 1 1 103 103 ILE HA H 103 4.430 4.430 4.273 0.157 18887 7837 1 13 . 1 1 103 103 ILE C C 103 176.670 176.670 175.029 1.641 18887 7838 1 13 . 1 1 103 103 ILE CA C 103 62.520 62.520 60.295 2.225 18887 7839 1 13 . 1 1 103 103 ILE CB C 103 40.020 40.020 38.278 1.742 18887 7840 1 13 . 1 1 103 103 ILE H H 103 7.140 7.140 7.300 -0.160 18887 7841 1 13 . 1 1 104 104 ASP N N 104 122.560 122.560 120.325 2.235 18887 7842 1 13 . 1 1 104 104 ASP HA H 104 4.650 4.650 4.357 0.293 18887 7843 1 13 . 1 1 104 104 ASP C C 104 176.670 176.670 175.607 1.063 18887 7844 1 13 . 1 1 104 104 ASP CA C 104 56.220 56.220 55.005 1.215 18887 7845 1 13 . 1 1 104 104 ASP CB C 104 42.080 42.080 40.825 1.255 18887 7846 1 13 . 1 1 104 104 ASP H H 104 8.000 8.000 7.465 0.535 18887 7847 1 13 . 1 1 105 105 GLU N N 105 120.750 120.750 120.878 -0.128 18887 7848 1 13 . 1 1 105 105 GLU HA H 105 4.300 4.300 4.096 0.204 18887 7849 1 13 . 1 1 105 105 GLU C C 105 175.470 175.470 175.678 -0.208 18887 7850 1 13 . 1 1 105 105 GLU CA C 105 57.640 57.640 57.339 0.301 18887 7851 1 13 . 1 1 105 105 GLU CB C 105 30.870 30.870 29.537 1.333 18887 7852 1 13 . 1 1 105 105 GLU H H 105 8.030 8.030 8.212 -0.182 18887 7853 1 14 . 1 1 2 2 LYS N N 2 120.950 120.950 122.635 -1.685 18887 7854 1 14 . 1 1 2 2 LYS HA H 2 4.330 4.330 4.496 -0.166 18887 7855 1 14 . 1 1 2 2 LYS C C 2 176.040 176.040 176.208 -0.168 18887 7856 1 14 . 1 1 2 2 LYS CA C 2 57.850 57.850 56.280 1.570 18887 7857 1 14 . 1 1 2 2 LYS CB C 2 33.480 33.480 32.592 0.888 18887 7858 1 14 . 1 1 2 2 LYS H H 2 8.220 8.220 8.208 0.012 18887 7859 1 14 . 1 1 3 3 ARG N N 3 120.340 120.340 125.180 -4.840 18887 7860 1 14 . 1 1 3 3 ARG HA H 3 4.660 4.660 4.472 0.188 18887 7861 1 14 . 1 1 3 3 ARG C C 3 175.960 175.960 174.084 1.876 18887 7862 1 14 . 1 1 3 3 ARG CA C 3 53.810 53.810 54.641 -0.831 18887 7863 1 14 . 1 1 3 3 ARG CB C 3 29.710 29.710 33.880 -4.170 18887 7864 1 14 . 1 1 3 3 ARG H H 3 8.220 8.220 8.437 -0.217 18887 7865 1 14 . 1 1 4 4 LYS N N 4 121.540 121.540 124.269 -2.729 18887 7866 1 14 . 1 1 4 4 LYS HA H 4 4.770 4.770 4.842 -0.072 18887 7867 1 14 . 1 1 4 4 LYS C C 4 174.820 174.820 176.052 -1.232 18887 7868 1 14 . 1 1 4 4 LYS CA C 4 57.230 57.230 55.709 1.521 18887 7869 1 14 . 1 1 4 4 LYS CB C 4 33.800 33.800 32.345 1.455 18887 7870 1 14 . 1 1 4 4 LYS H H 4 8.880 8.880 8.618 0.262 18887 7871 1 14 . 1 1 5 5 ILE N N 5 125.030 125.030 125.977 -0.947 18887 7872 1 14 . 1 1 5 5 ILE HA H 5 4.530 4.530 4.734 -0.204 18887 7873 1 14 . 1 1 5 5 ILE C C 5 175.420 175.420 174.269 1.151 18887 7874 1 14 . 1 1 5 5 ILE CA C 5 61.120 61.120 60.313 0.807 18887 7875 1 14 . 1 1 5 5 ILE CB C 5 41.880 41.880 41.579 0.301 18887 7876 1 14 . 1 1 5 5 ILE H H 5 8.760 8.760 9.180 -0.420 18887 7877 1 14 . 1 1 6 6 ILE N N 6 119.270 119.270 122.194 -2.924 18887 7878 1 14 . 1 1 6 6 ILE HA H 6 5.440 5.440 5.075 0.364 18887 7879 1 14 . 1 1 6 6 ILE C C 6 173.880 173.880 173.721 0.159 18887 7880 1 14 . 1 1 6 6 ILE CA C 6 60.480 60.480 58.091 2.389 18887 7881 1 14 . 1 1 6 6 ILE CB C 6 42.120 42.120 39.882 2.238 18887 7882 1 14 . 1 1 6 6 ILE H H 6 8.110 8.110 8.318 -0.208 18887 7883 1 14 . 1 1 7 7 ALA N N 7 122.330 122.330 128.015 -5.685 18887 7884 1 14 . 1 1 7 7 ALA HA H 7 5.780 5.780 4.908 0.872 18887 7885 1 14 . 1 1 7 7 ALA C C 7 173.950 173.950 175.065 -1.115 18887 7886 1 14 . 1 1 7 7 ALA CA C 7 51.280 51.280 50.500 0.780 18887 7887 1 14 . 1 1 7 7 ALA CB C 7 25.930 25.930 22.887 3.043 18887 7888 1 14 . 1 1 7 7 ALA H H 7 8.790 8.790 8.833 -0.043 18887 7889 1 14 . 1 1 8 8 VAL N N 8 119.860 119.860 124.240 -4.380 18887 7890 1 14 . 1 1 8 8 VAL HA H 8 5.190 5.190 4.456 0.734 18887 7891 1 14 . 1 1 8 8 VAL C C 8 175.590 175.590 175.336 0.254 18887 7892 1 14 . 1 1 8 8 VAL CA C 8 61.340 61.340 61.269 0.071 18887 7893 1 14 . 1 1 8 8 VAL CB C 8 36.650 36.650 33.451 3.199 18887 7894 1 14 . 1 1 8 8 VAL H H 8 8.950 8.950 8.374 0.576 18887 7895 1 14 . 1 1 9 9 THR N N 9 116.320 116.320 120.937 -4.617 18887 7896 1 14 . 1 1 9 9 THR HA H 9 5.500 5.500 5.212 0.288 18887 7897 1 14 . 1 1 9 9 THR C C 9 172.920 172.920 173.434 -0.514 18887 7898 1 14 . 1 1 9 9 THR CA C 9 59.470 59.470 59.529 -0.059 18887 7899 1 14 . 1 1 9 9 THR CB C 9 71.510 71.510 68.930 2.580 18887 7900 1 14 . 1 1 9 9 THR H H 9 8.860 8.860 8.951 -0.091 18887 7901 1 14 . 1 1 10 10 ALA N N 10 121.780 121.780 129.517 -7.737 18887 7902 1 14 . 1 1 10 10 ALA HA H 10 4.800 4.800 5.669 -0.869 18887 7903 1 14 . 1 1 10 10 ALA C C 10 174.680 174.680 175.672 -0.992 18887 7904 1 14 . 1 1 10 10 ALA CA C 10 54.300 54.300 50.128 4.172 18887 7905 1 14 . 1 1 10 10 ALA CB C 10 22.940 22.940 22.881 0.059 18887 7906 1 14 . 1 1 10 10 ALA H H 10 7.710 7.710 9.050 -1.340 18887 7907 1 14 . 1 1 11 11 CYS N N 11 121.780 121.780 119.583 2.197 18887 7908 1 14 . 1 1 11 11 CYS HA H 11 5.160 5.160 4.640 0.520 18887 7909 1 14 . 1 1 11 11 CYS C C 11 174.700 174.700 172.743 1.957 18887 7910 1 14 . 1 1 11 11 CYS CA C 11 57.150 57.150 59.179 -2.029 18887 7911 1 14 . 1 1 11 11 CYS CB C 11 30.830 30.830 31.213 -0.383 18887 7912 1 14 . 1 1 11 11 CYS H H 11 8.140 8.140 8.351 -0.211 18887 7913 1 14 . 1 1 12 12 ALA N N 12 113.900 113.900 130.451 -16.551 18887 7914 1 14 . 1 1 12 12 ALA HA H 12 4.220 4.220 4.670 -0.450 18887 7915 1 14 . 1 1 12 12 ALA C C 12 168.950 168.950 177.834 -8.884 18887 7916 1 14 . 1 1 12 12 ALA CA C 12 55.270 55.270 52.725 2.545 18887 7917 1 14 . 1 1 12 12 ALA CB C 12 20.320 20.320 20.240 0.080 18887 7918 1 14 . 1 1 12 12 ALA H H 12 10.630 10.630 9.351 1.279 18887 7919 1 14 . 1 1 13 13 THR N N 13 109.490 109.490 112.593 -3.103 18887 7920 1 14 . 1 1 13 13 THR HA H 13 4.390 4.390 4.270 0.120 18887 7921 1 14 . 1 1 13 13 THR C C 13 174.870 174.870 176.127 -1.257 18887 7922 1 14 . 1 1 13 13 THR CA C 13 62.910 62.910 63.599 -0.689 18887 7923 1 14 . 1 1 13 13 THR CB C 13 70.640 70.640 69.852 0.788 18887 7924 1 14 . 1 1 13 13 THR H H 13 8.180 8.180 8.145 0.035 18887 7925 1 14 . 1 1 14 14 GLY N N 14 111.450 111.450 110.894 0.556 18887 7926 1 14 . 1 1 14 14 GLY C C 14 173.680 173.680 174.375 -0.695 18887 7927 1 14 . 1 1 14 14 GLY CA C 14 47.050 47.050 44.060 2.990 18887 7928 1 14 . 1 1 14 14 GLY H H 14 7.880 7.880 7.633 0.247 18887 7929 1 14 . 1 1 15 15 VAL N N 15 119.530 119.530 125.738 -6.208 18887 7930 1 14 . 1 1 15 15 VAL HA H 15 4.110 4.110 3.532 0.578 18887 7931 1 14 . 1 1 15 15 VAL C C 15 176.860 176.860 177.493 -0.633 18887 7932 1 14 . 1 1 15 15 VAL CA C 15 64.740 64.740 65.428 -0.688 18887 7933 1 14 . 1 1 15 15 VAL CB C 15 33.690 33.690 31.919 1.771 18887 7934 1 14 . 1 1 15 15 VAL H H 15 8.250 8.250 8.274 -0.024 18887 7935 1 14 . 1 1 16 16 ALA N N 16 123.230 123.230 120.581 2.649 18887 7936 1 14 . 1 1 16 16 ALA HA H 16 4.230 4.230 4.308 -0.078 18887 7937 1 14 . 1 1 16 16 ALA C C 16 170.610 170.610 179.507 -8.897 18887 7938 1 14 . 1 1 16 16 ALA CA C 16 56.280 56.280 54.606 1.673 18887 7939 1 14 . 1 1 16 16 ALA CB C 16 19.320 19.320 18.329 0.990 18887 7940 1 14 . 1 1 16 16 ALA H H 16 8.430 8.430 8.233 0.197 18887 7941 1 14 . 1 1 17 17 HIS HA H 17 4.380 4.380 4.315 0.065 18887 7942 1 14 . 1 1 17 17 HIS C C 17 177.260 177.260 177.528 -0.268 18887 7943 1 14 . 1 1 17 17 HIS CA C 17 60.060 60.060 58.117 1.943 18887 7944 1 14 . 1 1 17 17 HIS CB C 17 31.990 31.990 29.778 2.212 18887 7945 1 14 . 1 1 18 18 THR N N 18 115.830 115.830 117.034 -1.204 18887 7946 1 14 . 1 1 18 18 THR HA H 18 3.540 3.540 3.986 -0.446 18887 7947 1 14 . 1 1 18 18 THR C C 18 176.690 176.690 176.194 0.496 18887 7948 1 14 . 1 1 18 18 THR CA C 18 67.700 67.700 66.969 0.731 18887 7949 1 14 . 1 1 18 18 THR CB C 18 69.550 69.550 68.490 1.060 18887 7950 1 14 . 1 1 18 18 THR H H 18 7.590 7.590 7.713 -0.123 18887 7951 1 14 . 1 1 19 19 TYR N N 19 121.050 121.050 119.928 1.122 18887 7952 1 14 . 1 1 19 19 TYR HA H 19 4.340 4.340 4.426 -0.086 18887 7953 1 14 . 1 1 19 19 TYR C C 19 178.420 178.420 177.923 0.497 18887 7954 1 14 . 1 1 19 19 TYR CA C 19 61.220 61.220 60.975 0.245 18887 7955 1 14 . 1 1 19 19 TYR CB C 19 38.400 38.400 37.316 1.084 18887 7956 1 14 . 1 1 19 19 TYR H H 19 7.710 7.710 7.227 0.483 18887 7957 1 14 . 1 1 20 20 MET N N 20 120.220 120.220 119.791 0.429 18887 7958 1 14 . 1 1 20 20 MET HA H 20 4.160 4.160 4.038 0.122 18887 7959 1 14 . 1 1 20 20 MET C C 20 169.550 169.550 178.007 -8.457 18887 7960 1 14 . 1 1 20 20 MET CA C 20 60.050 60.050 58.693 1.357 18887 7961 1 14 . 1 1 20 20 MET CB C 20 34.410 34.410 32.732 1.678 18887 7962 1 14 . 1 1 20 20 MET H H 20 8.470 8.470 8.153 0.317 18887 7963 1 14 . 1 1 21 21 ALA N N 21 122.280 122.280 121.419 0.861 18887 7964 1 14 . 1 1 21 21 ALA HA H 21 3.870 3.870 3.958 -0.088 18887 7965 1 14 . 1 1 21 21 ALA C C 21 178.630 178.630 179.169 -0.539 18887 7966 1 14 . 1 1 21 21 ALA CA C 21 56.760 56.760 55.265 1.495 18887 7967 1 14 . 1 1 21 21 ALA CB C 21 19.690 19.690 18.160 1.530 18887 7968 1 14 . 1 1 21 21 ALA H H 21 8.490 8.490 8.452 0.038 18887 7969 1 14 . 1 1 22 22 ALA N N 22 120.240 120.240 120.791 -0.551 18887 7970 1 14 . 1 1 22 22 ALA HA H 22 3.900 3.900 3.960 -0.060 18887 7971 1 14 . 1 1 22 22 ALA C C 22 169.200 169.200 179.797 -10.597 18887 7972 1 14 . 1 1 22 22 ALA CA C 22 56.880 56.880 55.147 1.734 18887 7973 1 14 . 1 1 22 22 ALA CB C 22 19.560 19.560 18.338 1.222 18887 7974 1 14 . 1 1 22 22 ALA H H 22 7.660 7.660 7.621 0.039 18887 7975 1 14 . 1 1 23 23 GLN N N 23 116.680 116.680 118.022 -1.342 18887 7976 1 14 . 1 1 23 23 GLN HA H 23 3.940 3.940 4.048 -0.108 18887 7977 1 14 . 1 1 23 23 GLN C C 23 178.500 178.500 178.294 0.206 18887 7978 1 14 . 1 1 23 23 GLN CA C 23 59.550 59.550 58.471 1.079 18887 7979 1 14 . 1 1 23 23 GLN CB C 23 29.660 29.660 28.510 1.150 18887 7980 1 14 . 1 1 23 23 GLN H H 23 8.430 8.430 7.943 0.487 18887 7981 1 14 . 1 1 24 24 ALA N N 24 121.760 121.760 122.976 -1.216 18887 7982 1 14 . 1 1 24 24 ALA HA H 24 4.140 4.140 4.091 0.049 18887 7983 1 14 . 1 1 24 24 ALA C C 24 171.490 171.490 179.491 -8.001 18887 7984 1 14 . 1 1 24 24 ALA CA C 24 56.060 56.060 54.826 1.234 18887 7985 1 14 . 1 1 24 24 ALA CB C 24 19.760 19.760 18.638 1.122 18887 7986 1 14 . 1 1 24 24 ALA H H 24 8.130 8.130 8.196 -0.066 18887 7987 1 14 . 1 1 25 25 LEU N N 25 118.730 118.730 120.418 -1.688 18887 7988 1 14 . 1 1 25 25 LEU HA H 25 3.850 3.850 4.094 -0.244 18887 7989 1 14 . 1 1 25 25 LEU C C 25 177.990 177.990 178.584 -0.594 18887 7990 1 14 . 1 1 25 25 LEU CA C 25 59.280 59.280 57.312 1.968 18887 7991 1 14 . 1 1 25 25 LEU CB C 25 43.190 43.190 41.625 1.565 18887 7992 1 14 . 1 1 25 25 LEU H H 25 8.030 8.030 8.187 -0.157 18887 7993 1 14 . 1 1 26 26 LYS N N 26 118.850 118.850 118.762 0.088 18887 7994 1 14 . 1 1 26 26 LYS HA H 26 3.840 3.840 3.897 -0.057 18887 7995 1 14 . 1 1 26 26 LYS C C 26 169.460 169.460 179.131 -9.671 18887 7996 1 14 . 1 1 26 26 LYS CA C 26 61.420 61.420 59.253 2.167 18887 7997 1 14 . 1 1 26 26 LYS CB C 26 33.440 33.440 31.521 1.919 18887 7998 1 14 . 1 1 26 26 LYS H H 26 8.000 8.000 8.361 -0.361 18887 7999 1 14 . 1 1 27 27 LYS N N 27 120.350 120.350 119.143 1.207 18887 8000 1 14 . 1 1 27 27 LYS HA H 27 3.990 3.990 4.102 -0.112 18887 8001 1 14 . 1 1 27 27 LYS C C 27 169.670 169.670 179.124 -9.454 18887 8002 1 14 . 1 1 27 27 LYS CA C 27 60.700 60.700 58.904 1.796 18887 8003 1 14 . 1 1 27 27 LYS CB C 27 33.620 33.620 31.979 1.641 18887 8004 1 14 . 1 1 27 27 LYS H H 27 8.350 8.350 7.480 0.870 18887 8005 1 14 . 1 1 28 28 GLY N N 28 125.170 125.170 106.397 18.773 18887 8006 1 14 . 1 1 28 28 GLY C C 28 174.520 174.520 175.935 -1.415 18887 8007 1 14 . 1 1 28 28 GLY CA C 28 47.870 47.870 46.905 0.965 18887 8008 1 14 . 1 1 28 28 GLY H H 28 8.410 8.410 7.771 0.639 18887 8009 1 14 . 1 1 29 29 ALA N N 29 122.370 122.370 124.643 -2.273 18887 8010 1 14 . 1 1 29 29 ALA HA H 29 3.820 3.820 3.952 -0.132 18887 8011 1 14 . 1 1 29 29 ALA C C 29 169.050 169.050 178.994 -9.944 18887 8012 1 14 . 1 1 29 29 ALA CA C 29 56.840 56.840 54.902 1.938 18887 8013 1 14 . 1 1 29 29 ALA CB C 29 18.800 18.800 18.431 0.368 18887 8014 1 14 . 1 1 29 29 ALA H H 29 8.280 8.280 8.203 0.077 18887 8015 1 14 . 1 1 30 30 LYS N N 30 117.490 117.490 118.840 -1.350 18887 8016 1 14 . 1 1 30 30 LYS HA H 30 4.130 4.130 4.166 -0.036 18887 8017 1 14 . 1 1 30 30 LYS C C 30 170.330 170.330 178.540 -8.210 18887 8018 1 14 . 1 1 30 30 LYS CA C 30 60.420 60.420 58.049 2.371 18887 8019 1 14 . 1 1 30 30 LYS CB C 30 33.230 33.230 32.164 1.066 18887 8020 1 14 . 1 1 30 30 LYS H H 30 7.720 7.720 8.148 -0.428 18887 8021 1 14 . 1 1 31 31 LYS N N 31 121.050 121.050 118.792 2.258 18887 8022 1 14 . 1 1 31 31 LYS HA H 31 4.020 4.020 4.106 -0.086 18887 8023 1 14 . 1 1 31 31 LYS C C 31 178.160 178.160 177.970 0.190 18887 8024 1 14 . 1 1 31 31 LYS CA C 31 60.360 60.360 58.893 1.467 18887 8025 1 14 . 1 1 31 31 LYS CB C 31 33.380 33.380 32.568 0.812 18887 8026 1 14 . 1 1 31 31 LYS H H 31 7.930 7.930 7.694 0.236 18887 8027 1 14 . 1 1 32 32 MET N N 32 114.620 114.620 116.027 -1.407 18887 8028 1 14 . 1 1 32 32 MET HA H 32 4.240 4.240 4.554 -0.314 18887 8029 1 14 . 1 1 32 32 MET C C 32 175.810 175.810 176.465 -0.655 18887 8030 1 14 . 1 1 32 32 MET CA C 32 57.400 57.400 54.661 2.739 18887 8031 1 14 . 1 1 32 32 MET CB C 32 37.710 37.710 32.897 4.813 18887 8032 1 14 . 1 1 32 32 MET H H 32 7.420 7.420 7.417 0.003 18887 8033 1 14 . 1 1 33 33 GLY N N 33 124.900 124.900 107.726 17.174 18887 8034 1 14 . 1 1 33 33 GLY C C 33 174.340 174.340 173.411 0.929 18887 8035 1 14 . 1 1 33 33 GLY CA C 33 46.830 46.830 45.320 1.510 18887 8036 1 14 . 1 1 33 33 GLY H H 33 7.860 7.860 8.059 -0.199 18887 8037 1 14 . 1 1 34 34 ASN N N 34 116.070 116.070 116.815 -0.745 18887 8038 1 14 . 1 1 34 34 ASN HA H 34 5.210 5.210 5.564 -0.354 18887 8039 1 14 . 1 1 34 34 ASN C C 34 173.080 173.080 174.000 -0.920 18887 8040 1 14 . 1 1 34 34 ASN CA C 34 52.770 52.770 51.405 1.365 18887 8041 1 14 . 1 1 34 34 ASN CB C 34 42.880 42.880 40.555 2.325 18887 8042 1 14 . 1 1 34 34 ASN H H 34 8.160 8.160 7.752 0.408 18887 8043 1 14 . 1 1 35 35 LEU N N 35 121.450 121.450 120.258 1.192 18887 8044 1 14 . 1 1 35 35 LEU HA H 35 4.620 4.620 4.787 -0.167 18887 8045 1 14 . 1 1 35 35 LEU C C 35 174.930 174.930 175.402 -0.472 18887 8046 1 14 . 1 1 35 35 LEU CA C 35 55.150 55.150 53.599 1.551 18887 8047 1 14 . 1 1 35 35 LEU CB C 35 44.760 44.760 42.089 2.671 18887 8048 1 14 . 1 1 35 35 LEU H H 35 8.770 8.770 8.504 0.266 18887 8049 1 14 . 1 1 36 36 ILE N N 36 119.690 119.690 123.931 -4.241 18887 8050 1 14 . 1 1 36 36 ILE HA H 36 5.660 5.660 5.269 0.391 18887 8051 1 14 . 1 1 36 36 ILE C C 36 172.620 172.620 174.814 -2.194 18887 8052 1 14 . 1 1 36 36 ILE CA C 36 59.410 59.410 58.880 0.530 18887 8053 1 14 . 1 1 36 36 ILE CB C 36 44.340 44.340 41.737 2.603 18887 8054 1 14 . 1 1 36 36 ILE H H 36 8.390 8.390 8.545 -0.155 18887 8055 1 14 . 1 1 37 37 LYS N N 37 126.230 126.230 129.267 -3.037 18887 8056 1 14 . 1 1 37 37 LYS HA H 37 4.590 4.590 4.772 -0.182 18887 8057 1 14 . 1 1 37 37 LYS C C 37 174.340 174.340 174.496 -0.156 18887 8058 1 14 . 1 1 37 37 LYS CA C 37 57.050 57.050 54.170 2.880 18887 8059 1 14 . 1 1 37 37 LYS CB C 37 36.860 36.860 33.637 3.223 18887 8060 1 14 . 1 1 37 37 LYS H H 37 7.210 7.210 8.745 -1.535 18887 8061 1 14 . 1 1 38 38 VAL N N 38 124.270 124.270 122.331 1.939 18887 8062 1 14 . 1 1 38 38 VAL HA H 38 4.920 4.920 5.273 -0.353 18887 8063 1 14 . 1 1 38 38 VAL C C 38 174.660 174.660 175.320 -0.660 18887 8064 1 14 . 1 1 38 38 VAL CA C 38 61.420 61.420 59.458 1.962 18887 8065 1 14 . 1 1 38 38 VAL CB C 38 35.020 35.020 33.491 1.529 18887 8066 1 14 . 1 1 38 38 VAL H H 38 8.760 8.760 8.509 0.251 18887 8067 1 14 . 1 1 39 39 GLU N N 39 114.800 114.800 126.390 -11.590 18887 8068 1 14 . 1 1 39 39 GLU HA H 39 5.020 5.020 4.761 0.259 18887 8069 1 14 . 1 1 39 39 GLU C C 39 175.680 175.680 175.919 -0.239 18887 8070 1 14 . 1 1 39 39 GLU CA C 39 55.680 55.680 54.985 0.695 18887 8071 1 14 . 1 1 39 39 GLU CB C 39 33.940 33.940 32.707 1.233 18887 8072 1 14 . 1 1 39 39 GLU H H 39 9.210 9.210 8.976 0.234 18887 8073 1 14 . 1 1 40 40 THR N N 40 115.120 115.120 122.196 -7.076 18887 8074 1 14 . 1 1 40 40 THR HA H 40 5.180 5.180 4.781 0.399 18887 8075 1 14 . 1 1 40 40 THR C C 40 174.200 174.200 173.683 0.517 18887 8076 1 14 . 1 1 40 40 THR CA C 40 59.710 59.710 62.609 -2.899 18887 8077 1 14 . 1 1 40 40 THR CB C 40 71.270 71.270 68.385 2.885 18887 8078 1 14 . 1 1 40 40 THR H H 40 8.500 8.500 8.465 0.035 18887 8079 1 14 . 1 1 41 41 GLN N N 41 119.850 119.850 127.757 -7.907 18887 8080 1 14 . 1 1 41 41 GLN HA H 41 4.990 4.990 4.678 0.312 18887 8081 1 14 . 1 1 41 41 GLN C C 41 175.110 175.110 175.290 -0.180 18887 8082 1 14 . 1 1 41 41 GLN CA C 41 54.980 54.980 53.949 1.031 18887 8083 1 14 . 1 1 41 41 GLN CB C 41 29.780 29.780 31.070 -1.290 18887 8084 1 14 . 1 1 41 41 GLN H H 41 8.470 8.470 8.797 -0.327 18887 8085 1 14 . 1 1 42 42 GLY N N 42 109.530 109.530 111.455 -1.925 18887 8086 1 14 . 1 1 42 42 GLY C C 42 174.750 174.750 174.018 0.732 18887 8087 1 14 . 1 1 42 42 GLY CA C 42 45.630 45.630 44.368 1.262 18887 8088 1 14 . 1 1 42 42 GLY H H 42 7.890 7.890 8.793 -0.903 18887 8089 1 14 . 1 1 43 43 ALA N N 43 123.850 123.850 123.956 -0.106 18887 8090 1 14 . 1 1 43 43 ALA HA H 43 4.170 4.170 3.843 0.327 18887 8091 1 14 . 1 1 43 43 ALA C C 43 169.490 169.490 178.272 -8.782 18887 8092 1 14 . 1 1 43 43 ALA CA C 43 56.170 56.170 54.520 1.650 18887 8093 1 14 . 1 1 43 43 ALA CB C 43 19.910 19.910 16.903 3.007 18887 8094 1 14 . 1 1 43 43 ALA H H 43 8.730 8.730 7.949 0.781 18887 8095 1 14 . 1 1 44 44 THR N N 44 122.380 122.380 116.014 6.366 18887 8096 1 14 . 1 1 44 44 THR HA H 44 4.390 4.390 4.161 0.229 18887 8097 1 14 . 1 1 44 44 THR C C 44 174.260 174.260 175.354 -1.094 18887 8098 1 14 . 1 1 44 44 THR CA C 44 62.190 62.190 64.616 -2.426 18887 8099 1 14 . 1 1 44 44 THR CB C 44 70.080 70.080 69.282 0.798 18887 8100 1 14 . 1 1 44 44 THR H H 44 7.950 7.950 8.452 -0.502 18887 8101 1 14 . 1 1 45 45 GLY N N 45 109.360 109.360 108.912 0.448 18887 8102 1 14 . 1 1 45 45 GLY C C 45 172.380 172.380 171.866 0.514 18887 8103 1 14 . 1 1 45 45 GLY CA C 45 45.510 45.510 45.003 0.507 18887 8104 1 14 . 1 1 45 45 GLY H H 45 7.560 7.560 7.618 -0.058 18887 8105 1 14 . 1 1 46 46 ILE N N 46 122.050 122.050 121.691 0.359 18887 8106 1 14 . 1 1 46 46 ILE HA H 46 4.780 4.780 4.603 0.177 18887 8107 1 14 . 1 1 46 46 ILE C C 46 176.010 176.010 175.817 0.193 18887 8108 1 14 . 1 1 46 46 ILE CA C 46 61.950 61.950 60.612 1.338 18887 8109 1 14 . 1 1 46 46 ILE CB C 46 40.810 40.810 39.300 1.510 18887 8110 1 14 . 1 1 46 46 ILE H H 46 8.480 8.480 8.366 0.114 18887 8111 1 14 . 1 1 47 47 GLU N N 47 109.160 109.160 128.443 -19.283 18887 8112 1 14 . 1 1 47 47 GLU HA H 47 4.660 4.660 4.292 0.368 18887 8113 1 14 . 1 1 47 47 GLU C C 47 174.750 174.750 176.272 -1.522 18887 8114 1 14 . 1 1 47 47 GLU CA C 47 55.940 55.940 57.524 -1.584 18887 8115 1 14 . 1 1 47 47 GLU CB C 47 33.640 33.640 30.869 2.771 18887 8116 1 14 . 1 1 47 47 GLU H H 47 9.000 9.000 8.963 0.037 18887 8117 1 14 . 1 1 48 48 ASN N N 48 120.510 120.510 118.231 2.279 18887 8118 1 14 . 1 1 48 48 ASN HA H 48 4.230 4.230 4.878 -0.648 18887 8119 1 14 . 1 1 48 48 ASN C C 48 173.090 173.090 173.285 -0.195 18887 8120 1 14 . 1 1 48 48 ASN CA C 48 54.770 54.770 52.485 2.285 18887 8121 1 14 . 1 1 48 48 ASN CB C 48 38.800 38.800 39.478 -0.678 18887 8122 1 14 . 1 1 48 48 ASN H H 48 8.930 8.930 7.794 1.136 18887 8123 1 14 . 1 1 49 49 GLU N N 49 114.160 114.160 124.951 -10.791 18887 8124 1 14 . 1 1 49 49 GLU HA H 49 3.890 3.890 4.415 -0.525 18887 8125 1 14 . 1 1 49 49 GLU C C 49 177.780 177.780 176.144 1.636 18887 8126 1 14 . 1 1 49 49 GLU CA C 49 57.870 57.870 56.717 1.153 18887 8127 1 14 . 1 1 49 49 GLU CB C 49 31.900 31.900 30.071 1.829 18887 8128 1 14 . 1 1 49 49 GLU H H 49 7.690 7.690 8.571 -0.881 18887 8129 1 14 . 1 1 50 50 LEU N N 50 109.440 109.440 130.097 -20.657 18887 8130 1 14 . 1 1 50 50 LEU HA H 50 4.680 4.680 4.442 0.238 18887 8131 1 14 . 1 1 50 50 LEU C C 50 177.490 177.490 177.056 0.434 18887 8132 1 14 . 1 1 50 50 LEU CA C 50 55.520 55.520 54.471 1.049 18887 8133 1 14 . 1 1 50 50 LEU CB C 50 43.440 43.440 41.041 2.399 18887 8134 1 14 . 1 1 50 50 LEU H H 50 9.560 9.560 9.178 0.382 18887 8135 1 14 . 1 1 51 51 THR N N 51 117.490 117.490 115.652 1.838 18887 8136 1 14 . 1 1 51 51 THR HA H 51 4.420 4.420 4.390 0.030 18887 8137 1 14 . 1 1 51 51 THR C C 51 175.010 175.010 175.793 -0.783 18887 8138 1 14 . 1 1 51 51 THR CA C 51 61.230 61.230 60.305 0.925 18887 8139 1 14 . 1 1 51 51 THR CB C 51 72.860 72.860 70.443 2.417 18887 8140 1 14 . 1 1 51 51 THR H H 51 9.380 9.380 8.746 0.634 18887 8141 1 14 . 1 1 52 52 GLU N N 52 120.490 120.490 121.353 -0.863 18887 8142 1 14 . 1 1 52 52 GLU HA H 52 3.860 3.860 3.835 0.025 18887 8143 1 14 . 1 1 52 52 GLU C C 52 178.660 178.660 178.892 -0.232 18887 8144 1 14 . 1 1 52 52 GLU CA C 52 61.130 61.130 60.778 0.352 18887 8145 1 14 . 1 1 52 52 GLU CB C 52 30.280 30.280 28.940 1.340 18887 8146 1 14 . 1 1 52 52 GLU H H 52 8.910 8.910 8.856 0.054 18887 8147 1 14 . 1 1 53 53 LYS N N 53 118.660 118.660 118.565 0.095 18887 8148 1 14 . 1 1 53 53 LYS HA H 53 4.020 4.020 3.929 0.091 18887 8149 1 14 . 1 1 53 53 LYS C C 53 178.190 178.190 178.548 -0.358 18887 8150 1 14 . 1 1 53 53 LYS CA C 53 60.390 60.390 59.370 1.020 18887 8151 1 14 . 1 1 53 53 LYS CB C 53 33.210 33.210 32.100 1.110 18887 8152 1 14 . 1 1 53 53 LYS H H 53 7.890 7.890 8.280 -0.390 18887 8153 1 14 . 1 1 54 54 ASP N N 54 118.400 118.400 119.459 -1.059 18887 8154 1 14 . 1 1 54 54 ASP HA H 54 4.200 4.200 4.407 -0.207 18887 8155 1 14 . 1 1 54 54 ASP C C 54 169.070 169.070 178.766 -9.696 18887 8156 1 14 . 1 1 54 54 ASP CA C 54 58.300 58.300 57.512 0.788 18887 8157 1 14 . 1 1 54 54 ASP CB C 54 43.110 43.110 40.967 2.143 18887 8158 1 14 . 1 1 54 54 ASP H H 54 7.440 7.440 7.484 -0.044 18887 8159 1 14 . 1 1 55 55 VAL N N 55 118.420 118.420 119.098 -0.678 18887 8160 1 14 . 1 1 55 55 VAL HA H 55 3.520 3.520 3.705 -0.185 18887 8161 1 14 . 1 1 55 55 VAL C C 55 176.980 176.980 177.103 -0.123 18887 8162 1 14 . 1 1 55 55 VAL CA C 55 66.950 66.950 66.060 0.890 18887 8163 1 14 . 1 1 55 55 VAL CB C 55 32.360 32.360 31.524 0.836 18887 8164 1 14 . 1 1 55 55 VAL H H 55 8.150 8.150 7.998 0.152 18887 8165 1 14 . 1 1 56 56 ASN N N 56 117.100 117.100 115.225 1.875 18887 8166 1 14 . 1 1 56 56 ASN HA H 56 4.410 4.410 4.504 -0.094 18887 8167 1 14 . 1 1 56 56 ASN C C 56 177.330 177.330 176.629 0.701 18887 8168 1 14 . 1 1 56 56 ASN CA C 56 57.170 57.170 55.129 2.041 18887 8169 1 14 . 1 1 56 56 ASN CB C 56 39.930 39.930 38.934 0.996 18887 8170 1 14 . 1 1 56 56 ASN H H 56 8.000 8.000 8.038 -0.038 18887 8171 1 14 . 1 1 57 57 ILE N N 57 115.580 115.580 118.393 -2.813 18887 8172 1 14 . 1 1 57 57 ILE HA H 57 3.950 3.950 4.087 -0.137 18887 8173 1 14 . 1 1 57 57 ILE C C 57 176.980 176.980 176.808 0.172 18887 8174 1 14 . 1 1 57 57 ILE CA C 57 63.240 63.240 61.560 1.680 18887 8175 1 14 . 1 1 57 57 ILE CB C 57 39.890 39.890 38.158 1.732 18887 8176 1 14 . 1 1 57 57 ILE H H 57 7.600 7.600 7.260 0.340 18887 8177 1 14 . 1 1 58 58 GLY N N 58 124.080 124.080 106.190 17.890 18887 8178 1 14 . 1 1 58 58 GLY C C 58 173.190 173.190 174.687 -1.497 18887 8179 1 14 . 1 1 58 58 GLY CA C 58 47.110 47.110 44.796 2.314 18887 8180 1 14 . 1 1 58 58 GLY H H 58 7.630 7.630 7.675 -0.045 18887 8181 1 14 . 1 1 59 59 GLU N N 59 123.240 123.240 124.431 -1.191 18887 8182 1 14 . 1 1 59 59 GLU HA H 59 4.240 4.240 4.277 -0.037 18887 8183 1 14 . 1 1 59 59 GLU C C 59 176.750 176.750 177.041 -0.291 18887 8184 1 14 . 1 1 59 59 GLU CA C 59 59.830 59.830 58.867 0.963 18887 8185 1 14 . 1 1 59 59 GLU CB C 59 33.100 33.100 30.414 2.686 18887 8186 1 14 . 1 1 59 59 GLU H H 59 9.350 9.350 8.768 0.582 18887 8187 1 14 . 1 1 60 60 VAL N N 60 114.370 114.370 113.910 0.460 18887 8188 1 14 . 1 1 60 60 VAL HA H 60 4.410 4.410 4.612 -0.202 18887 8189 1 14 . 1 1 60 60 VAL C C 60 170.270 170.270 175.011 -4.741 18887 8190 1 14 . 1 1 60 60 VAL CA C 60 60.710 60.710 60.711 -0.001 18887 8191 1 14 . 1 1 60 60 VAL CB C 60 35.150 35.150 33.038 2.111 18887 8192 1 14 . 1 1 60 60 VAL H H 60 7.640 7.640 7.341 0.299 18887 8193 1 14 . 1 1 61 61 VAL N N 61 125.780 125.780 123.473 2.307 18887 8194 1 14 . 1 1 61 61 VAL HA H 61 4.970 4.970 4.849 0.121 18887 8195 1 14 . 1 1 61 61 VAL C C 61 174.450 174.450 175.083 -0.633 18887 8196 1 14 . 1 1 61 61 VAL CA C 61 60.260 60.260 60.637 -0.377 18887 8197 1 14 . 1 1 61 61 VAL CB C 61 34.710 34.710 32.811 1.899 18887 8198 1 14 . 1 1 61 61 VAL H H 61 8.290 8.290 9.027 -0.737 18887 8199 1 14 . 1 1 62 62 ILE N N 62 124.740 124.740 127.626 -2.886 18887 8200 1 14 . 1 1 62 62 ILE HA H 62 4.820 4.820 4.677 0.143 18887 8201 1 14 . 1 1 62 62 ILE C C 62 175.020 175.020 174.567 0.453 18887 8202 1 14 . 1 1 62 62 ILE CA C 62 60.490 60.490 60.292 0.198 18887 8203 1 14 . 1 1 62 62 ILE CB C 62 42.560 42.560 38.900 3.660 18887 8204 1 14 . 1 1 62 62 ILE H H 62 8.580 8.580 8.474 0.106 18887 8205 1 14 . 1 1 63 63 PHE N N 63 109.510 109.510 127.928 -18.418 18887 8206 1 14 . 1 1 63 63 PHE HA H 63 5.490 5.490 4.946 0.544 18887 8207 1 14 . 1 1 63 63 PHE C C 63 173.600 173.600 174.110 -0.510 18887 8208 1 14 . 1 1 63 63 PHE CA C 63 53.020 53.020 55.606 -2.586 18887 8209 1 14 . 1 1 63 63 PHE CB C 63 40.150 40.150 40.620 -0.469 18887 8210 1 14 . 1 1 63 63 PHE H H 63 9.320 9.320 9.089 0.231 18887 8211 1 14 . 1 1 64 64 ALA N N 64 112.790 112.790 128.747 -15.957 18887 8212 1 14 . 1 1 64 64 ALA HA H 64 5.430 5.430 5.642 -0.212 18887 8213 1 14 . 1 1 64 64 ALA C C 64 175.040 175.040 175.713 -0.673 18887 8214 1 14 . 1 1 64 64 ALA CA C 64 50.740 50.740 50.023 0.717 18887 8215 1 14 . 1 1 64 64 ALA CB C 64 19.690 19.690 19.995 -0.305 18887 8216 1 14 . 1 1 64 64 ALA H H 64 8.840 8.840 8.700 0.140 18887 8217 1 14 . 1 1 65 65 VAL N N 65 110.260 110.260 118.201 -7.941 18887 8218 1 14 . 1 1 65 65 VAL HA H 65 5.690 5.690 5.240 0.450 18887 8219 1 14 . 1 1 65 65 VAL C C 65 175.380 175.380 174.377 1.003 18887 8220 1 14 . 1 1 65 65 VAL CA C 65 59.060 59.060 59.713 -0.653 18887 8221 1 14 . 1 1 65 65 VAL CB C 65 38.800 38.800 34.942 3.858 18887 8222 1 14 . 1 1 65 65 VAL H H 65 8.080 8.080 7.632 0.448 18887 8223 1 14 . 1 1 66 66 ASP N N 66 119.250 119.250 124.470 -5.220 18887 8224 1 14 . 1 1 66 66 ASP HA H 66 4.870 4.870 4.695 0.175 18887 8225 1 14 . 1 1 66 66 ASP C C 66 175.600 175.600 175.683 -0.083 18887 8226 1 14 . 1 1 66 66 ASP CA C 66 53.780 53.780 55.390 -1.610 18887 8227 1 14 . 1 1 66 66 ASP CB C 66 42.910 42.910 42.155 0.755 18887 8228 1 14 . 1 1 66 66 ASP H H 66 7.760 7.760 9.003 -1.243 18887 8229 1 14 . 1 1 67 67 THR N N 67 112.330 112.330 111.776 0.554 18887 8230 1 14 . 1 1 67 67 THR HA H 67 4.510 4.510 4.472 0.038 18887 8231 1 14 . 1 1 67 67 THR C C 67 172.370 172.370 173.301 -0.931 18887 8232 1 14 . 1 1 67 67 THR CA C 67 59.650 59.650 59.707 -0.057 18887 8233 1 14 . 1 1 67 67 THR CB C 67 70.230 70.230 70.606 -0.376 18887 8234 1 14 . 1 1 67 67 THR H H 67 7.070 7.070 7.659 -0.589 18887 8235 1 14 . 1 1 68 68 LYS N N 68 121.380 121.380 119.739 1.641 18887 8236 1 14 . 1 1 68 68 LYS HA H 68 4.080 4.080 4.386 -0.306 18887 8237 1 14 . 1 1 68 68 LYS C C 68 176.250 176.250 175.319 0.931 18887 8238 1 14 . 1 1 68 68 LYS CA C 68 57.470 57.470 55.624 1.846 18887 8239 1 14 . 1 1 68 68 LYS CB C 68 34.020 34.020 33.128 0.892 18887 8240 1 14 . 1 1 68 68 LYS H H 68 7.540 7.540 8.166 -0.626 18887 8241 1 14 . 1 1 69 69 VAL N N 69 125.310 125.310 119.809 5.501 18887 8242 1 14 . 1 1 69 69 VAL HA H 69 3.320 3.320 4.283 -0.963 18887 8243 1 14 . 1 1 69 69 VAL C C 69 175.890 175.890 175.892 -0.002 18887 8244 1 14 . 1 1 69 69 VAL CA C 69 64.110 64.110 60.818 3.292 18887 8245 1 14 . 1 1 69 69 VAL CB C 69 33.810 33.810 34.630 -0.820 18887 8246 1 14 . 1 1 69 69 VAL H H 69 8.320 8.320 8.140 0.180 18887 8247 1 14 . 1 1 70 70 ARG N N 70 111.240 111.240 129.150 -17.910 18887 8248 1 14 . 1 1 70 70 ARG HA H 70 4.160 4.160 4.164 -0.004 18887 8249 1 14 . 1 1 70 70 ARG C C 70 177.030 177.030 177.383 -0.353 18887 8250 1 14 . 1 1 70 70 ARG CA C 70 57.630 57.630 58.773 -1.143 18887 8251 1 14 . 1 1 70 70 ARG CB C 70 31.440 31.440 30.014 1.426 18887 8252 1 14 . 1 1 70 70 ARG H H 70 9.580 9.580 8.858 0.722 18887 8253 1 14 . 1 1 71 71 ASN N N 71 120.660 120.660 116.770 3.890 18887 8254 1 14 . 1 1 71 71 ASN HA H 71 4.670 4.670 4.631 0.039 18887 8255 1 14 . 1 1 71 71 ASN C C 71 177.530 177.530 176.893 0.637 18887 8256 1 14 . 1 1 71 71 ASN CA C 71 54.770 54.770 54.730 0.040 18887 8257 1 14 . 1 1 71 71 ASN CB C 71 37.130 37.130 38.048 -0.918 18887 8258 1 14 . 1 1 71 71 ASN H H 71 9.170 9.170 8.658 0.512 18887 8259 1 14 . 1 1 72 72 LYS N N 72 120.730 120.730 121.614 -0.884 18887 8260 1 14 . 1 1 72 72 LYS HA H 72 4.010 4.010 4.561 -0.551 18887 8261 1 14 . 1 1 72 72 LYS C C 72 177.790 177.790 177.941 -0.151 18887 8262 1 14 . 1 1 72 72 LYS CA C 72 59.910 59.910 59.539 0.371 18887 8263 1 14 . 1 1 72 72 LYS CB C 72 33.260 33.260 32.385 0.875 18887 8264 1 14 . 1 1 72 72 LYS H H 72 8.400 8.400 7.619 0.781 18887 8265 1 14 . 1 1 73 73 GLU N N 73 122.670 122.670 118.375 4.295 18887 8266 1 14 . 1 1 73 73 GLU HA H 73 4.160 4.160 3.907 0.253 18887 8267 1 14 . 1 1 73 73 GLU C C 73 177.620 177.620 179.084 -1.464 18887 8268 1 14 . 1 1 73 73 GLU CA C 73 60.380 60.380 59.550 0.830 18887 8269 1 14 . 1 1 73 73 GLU CB C 73 28.660 28.660 29.275 -0.615 18887 8270 1 14 . 1 1 73 73 GLU H H 73 9.960 9.960 7.814 2.146 18887 8271 1 14 . 1 1 74 74 ARG N N 74 117.370 117.370 117.240 0.130 18887 8272 1 14 . 1 1 74 74 ARG HA H 74 3.770 3.770 4.157 -0.387 18887 8273 1 14 . 1 1 74 74 ARG C C 74 177.380 177.380 178.699 -1.319 18887 8274 1 14 . 1 1 74 74 ARG CA C 74 59.010 59.010 58.034 0.976 18887 8275 1 14 . 1 1 74 74 ARG CB C 74 32.720 32.720 29.807 2.913 18887 8276 1 14 . 1 1 74 74 ARG H H 74 6.830 6.830 7.613 -0.783 18887 8277 1 14 . 1 1 75 75 PHE N N 75 112.920 112.920 120.188 -7.268 18887 8278 1 14 . 1 1 75 75 PHE HA H 75 4.280 4.280 4.412 -0.132 18887 8279 1 14 . 1 1 75 75 PHE C C 75 174.870 174.870 177.662 -2.792 18887 8280 1 14 . 1 1 75 75 PHE CA C 75 57.370 57.370 60.634 -3.264 18887 8281 1 14 . 1 1 75 75 PHE CB C 75 39.380 39.380 38.660 0.720 18887 8282 1 14 . 1 1 75 75 PHE H H 75 7.670 7.670 7.394 0.276 18887 8283 1 14 . 1 1 76 76 ASP N N 76 121.780 121.780 118.945 2.835 18887 8284 1 14 . 1 1 76 76 ASP HA H 76 4.380 4.380 4.614 -0.234 18887 8285 1 14 . 1 1 76 76 ASP C C 76 177.380 177.380 177.544 -0.164 18887 8286 1 14 . 1 1 76 76 ASP CA C 76 57.700 57.700 56.290 1.410 18887 8287 1 14 . 1 1 76 76 ASP CB C 76 41.270 41.270 40.935 0.335 18887 8288 1 14 . 1 1 76 76 ASP H H 76 7.210 7.210 8.401 -1.191 18887 8289 1 14 . 1 1 77 77 GLY N N 77 111.910 111.910 106.468 5.442 18887 8290 1 14 . 1 1 77 77 GLY C C 77 174.310 174.310 174.295 0.015 18887 8291 1 14 . 1 1 77 77 GLY CA C 77 46.290 46.290 45.139 1.151 18887 8292 1 14 . 1 1 77 77 GLY H H 77 8.920 8.920 7.823 1.097 18887 8293 1 14 . 1 1 78 78 LYS N N 78 117.910 117.910 119.345 -1.435 18887 8294 1 14 . 1 1 78 78 LYS HA H 78 4.540 4.540 4.792 -0.252 18887 8295 1 14 . 1 1 78 78 LYS C C 78 175.910 175.910 175.756 0.154 18887 8296 1 14 . 1 1 78 78 LYS CA C 78 53.410 53.410 54.362 -0.952 18887 8297 1 14 . 1 1 78 78 LYS CB C 78 32.780 32.780 35.721 -2.942 18887 8298 1 14 . 1 1 78 78 LYS H H 78 7.700 7.700 7.611 0.089 18887 8299 1 14 . 1 1 79 79 VAL N N 79 124.500 124.500 121.624 2.876 18887 8300 1 14 . 1 1 79 79 VAL HA H 79 3.850 3.850 4.107 -0.257 18887 8301 1 14 . 1 1 79 79 VAL C C 79 174.140 174.140 174.645 -0.505 18887 8302 1 14 . 1 1 79 79 VAL CA C 79 64.810 64.810 62.681 2.129 18887 8303 1 14 . 1 1 79 79 VAL CB C 79 32.390 32.390 31.646 0.744 18887 8304 1 14 . 1 1 79 79 VAL H H 79 8.890 8.890 8.501 0.389 18887 8305 1 14 . 1 1 80 80 VAL N N 80 125.810 125.810 127.191 -1.381 18887 8306 1 14 . 1 1 80 80 VAL HA H 80 4.690 4.690 4.864 -0.174 18887 8307 1 14 . 1 1 80 80 VAL C C 80 175.270 175.270 175.033 0.237 18887 8308 1 14 . 1 1 80 80 VAL CA C 80 60.670 60.670 60.667 0.003 18887 8309 1 14 . 1 1 80 80 VAL CB C 80 35.970 35.970 34.044 1.926 18887 8310 1 14 . 1 1 80 80 VAL H H 80 7.860 7.860 8.439 -0.579 18887 8311 1 14 . 1 1 81 81 LEU N N 81 110.550 110.550 128.439 -17.889 18887 8312 1 14 . 1 1 81 81 LEU HA H 81 4.490 4.490 4.835 -0.345 18887 8313 1 14 . 1 1 81 81 LEU C C 81 173.930 173.930 174.830 -0.900 18887 8314 1 14 . 1 1 81 81 LEU CA C 81 54.410 54.410 53.647 0.763 18887 8315 1 14 . 1 1 81 81 LEU CB C 81 45.100 45.100 44.610 0.490 18887 8316 1 14 . 1 1 81 81 LEU H H 81 8.790 8.790 9.293 -0.503 18887 8317 1 14 . 1 1 82 82 GLU N N 82 111.070 111.070 126.661 -15.591 18887 8318 1 14 . 1 1 82 82 GLU HA H 82 5.460 5.460 5.206 0.254 18887 8319 1 14 . 1 1 82 82 GLU C C 82 175.440 175.440 175.481 -0.041 18887 8320 1 14 . 1 1 82 82 GLU CA C 82 56.010 56.010 55.616 0.394 18887 8321 1 14 . 1 1 82 82 GLU CB C 82 32.100 32.100 31.861 0.239 18887 8322 1 14 . 1 1 82 82 GLU H H 82 8.750 8.750 8.727 0.023 18887 8323 1 14 . 1 1 83 83 VAL N N 83 119.980 119.980 118.881 1.099 18887 8324 1 14 . 1 1 83 83 VAL HA H 83 4.950 4.950 4.723 0.227 18887 8325 1 14 . 1 1 83 83 VAL C C 83 172.120 172.120 173.420 -1.300 18887 8326 1 14 . 1 1 83 83 VAL CA C 83 58.760 58.760 58.139 0.621 18887 8327 1 14 . 1 1 83 83 VAL CB C 83 34.570 34.570 33.596 0.974 18887 8328 1 14 . 1 1 83 83 VAL H H 83 9.390 9.390 8.965 0.425 18887 8329 1 14 . 1 1 84 84 PRO HA H 84 4.740 4.740 4.514 0.226 18887 8330 1 14 . 1 1 84 84 PRO C C 84 178.300 178.300 177.971 0.329 18887 8331 1 14 . 1 1 84 84 PRO CA C 84 63.330 63.330 62.593 0.737 18887 8332 1 14 . 1 1 84 84 PRO CB C 84 33.430 33.430 32.381 1.049 18887 8333 1 14 . 1 1 85 85 VAL N N 85 122.390 122.390 120.666 1.724 18887 8334 1 14 . 1 1 85 85 VAL HA H 85 3.320 3.320 3.803 -0.483 18887 8335 1 14 . 1 1 85 85 VAL C C 85 174.190 174.190 176.327 -2.137 18887 8336 1 14 . 1 1 85 85 VAL CA C 85 66.540 66.540 64.129 2.411 18887 8337 1 14 . 1 1 85 85 VAL CB C 85 32.970 32.970 32.016 0.954 18887 8338 1 14 . 1 1 85 85 VAL H H 85 7.240 7.240 8.553 -1.313 18887 8339 1 14 . 1 1 86 86 SER N N 86 125.590 125.590 113.107 12.483 18887 8340 1 14 . 1 1 86 86 SER HA H 86 4.020 4.020 4.255 -0.235 18887 8341 1 14 . 1 1 86 86 SER C C 86 176.940 176.940 175.466 1.474 18887 8342 1 14 . 1 1 86 86 SER CA C 86 60.200 60.200 60.241 -0.041 18887 8343 1 14 . 1 1 86 86 SER CB C 86 64.060 64.060 63.201 0.859 18887 8344 1 14 . 1 1 86 86 SER H H 86 7.600 7.600 8.058 -0.458 18887 8345 1 14 . 1 1 87 87 ALA N N 87 125.200 125.200 124.324 0.876 18887 8346 1 14 . 1 1 87 87 ALA HA H 87 4.280 4.280 4.298 -0.018 18887 8347 1 14 . 1 1 87 87 ALA C C 87 177.370 177.370 175.726 1.644 18887 8348 1 14 . 1 1 87 87 ALA CA C 87 57.600 57.600 56.061 1.539 18887 8349 1 14 . 1 1 87 87 ALA CB C 87 16.620 16.620 16.837 -0.217 18887 8350 1 14 . 1 1 87 87 ALA H H 87 7.870 7.870 7.637 0.233 18887 8351 1 14 . 1 1 88 88 PRO HA H 88 4.000 4.000 4.450 -0.450 18887 8352 1 14 . 1 1 88 88 PRO C C 88 175.090 175.090 176.762 -1.672 18887 8353 1 14 . 1 1 88 88 PRO CA C 88 65.410 65.410 64.531 0.879 18887 8354 1 14 . 1 1 88 88 PRO CB C 88 32.130 32.130 30.765 1.365 18887 8355 1 14 . 1 1 89 89 ILE N N 89 114.700 114.700 117.377 -2.677 18887 8356 1 14 . 1 1 89 89 ILE HA H 89 3.310 3.310 3.853 -0.543 18887 8357 1 14 . 1 1 89 89 ILE C C 89 177.850 177.850 176.688 1.162 18887 8358 1 14 . 1 1 89 89 ILE CA C 89 66.320 66.320 63.611 2.709 18887 8359 1 14 . 1 1 89 89 ILE CB C 89 38.790 38.790 38.351 0.439 18887 8360 1 14 . 1 1 89 89 ILE H H 89 6.300 6.300 7.342 -1.042 18887 8361 1 14 . 1 1 90 90 LYS N N 90 118.530 118.530 116.537 1.993 18887 8362 1 14 . 1 1 90 90 LYS HA H 90 4.060 4.060 4.311 -0.251 18887 8363 1 14 . 1 1 90 90 LYS C C 90 177.390 177.390 177.229 0.161 18887 8364 1 14 . 1 1 90 90 LYS CA C 90 59.710 59.710 57.378 2.332 18887 8365 1 14 . 1 1 90 90 LYS CB C 90 33.940 33.940 33.643 0.297 18887 8366 1 14 . 1 1 90 90 LYS H H 90 7.440 7.440 7.726 -0.286 18887 8367 1 14 . 1 1 91 91 ASP N N 91 114.670 114.670 119.452 -4.782 18887 8368 1 14 . 1 1 91 91 ASP HA H 91 4.530 4.530 4.854 -0.324 18887 8369 1 14 . 1 1 91 91 ASP C C 91 174.350 174.350 176.039 -1.689 18887 8370 1 14 . 1 1 91 91 ASP CA C 91 55.120 55.120 53.603 1.516 18887 8371 1 14 . 1 1 91 91 ASP CB C 91 41.530 41.530 41.729 -0.199 18887 8372 1 14 . 1 1 91 91 ASP H H 91 7.700 7.700 8.552 -0.852 18887 8373 1 14 . 1 1 92 92 ALA N N 92 111.350 111.350 123.194 -11.844 18887 8374 1 14 . 1 1 92 92 ALA HA H 92 3.830 3.830 3.926 -0.096 18887 8375 1 14 . 1 1 92 92 ALA C C 92 169.330 169.330 179.112 -9.782 18887 8376 1 14 . 1 1 92 92 ALA CA C 92 57.220 57.220 55.541 1.679 18887 8377 1 14 . 1 1 92 92 ALA CB C 92 20.700 20.700 18.584 2.116 18887 8378 1 14 . 1 1 92 92 ALA H H 92 8.860 8.860 8.323 0.537 18887 8379 1 14 . 1 1 93 93 GLU N N 93 117.860 117.860 117.064 0.796 18887 8380 1 14 . 1 1 93 93 GLU HA H 93 3.860 3.860 3.958 -0.098 18887 8381 1 14 . 1 1 93 93 GLU C C 93 177.970 177.970 178.835 -0.865 18887 8382 1 14 . 1 1 93 93 GLU CA C 93 61.240 61.240 59.352 1.888 18887 8383 1 14 . 1 1 93 93 GLU CB C 93 30.570 30.570 29.114 1.456 18887 8384 1 14 . 1 1 93 93 GLU H H 93 8.520 8.520 8.831 -0.311 18887 8385 1 14 . 1 1 94 94 LYS N N 94 119.790 119.790 120.248 -0.458 18887 8386 1 14 . 1 1 94 94 LYS HA H 94 3.930 3.930 4.087 -0.157 18887 8387 1 14 . 1 1 94 94 LYS C C 94 169.840 169.840 179.055 -9.215 18887 8388 1 14 . 1 1 94 94 LYS CA C 94 60.600 60.600 59.159 1.441 18887 8389 1 14 . 1 1 94 94 LYS CB C 94 33.550 33.550 32.401 1.149 18887 8390 1 14 . 1 1 94 94 LYS H H 94 7.670 7.670 7.392 0.278 18887 8391 1 14 . 1 1 95 95 VAL N N 95 118.850 118.850 120.474 -1.624 18887 8392 1 14 . 1 1 95 95 VAL HA H 95 3.590 3.590 3.591 -0.001 18887 8393 1 14 . 1 1 95 95 VAL C C 95 176.620 176.620 177.955 -1.335 18887 8394 1 14 . 1 1 95 95 VAL CA C 95 67.220 67.220 66.524 0.696 18887 8395 1 14 . 1 1 95 95 VAL CB C 95 32.880 32.880 31.523 1.357 18887 8396 1 14 . 1 1 95 95 VAL H H 95 7.150 7.150 8.093 -0.943 18887 8397 1 14 . 1 1 96 96 ILE N N 96 119.120 119.120 119.903 -0.783 18887 8398 1 14 . 1 1 96 96 ILE HA H 96 3.380 3.380 3.527 -0.147 18887 8399 1 14 . 1 1 96 96 ILE C C 96 177.750 177.750 177.934 -0.184 18887 8400 1 14 . 1 1 96 96 ILE CA C 96 67.190 67.190 65.608 1.582 18887 8401 1 14 . 1 1 96 96 ILE CB C 96 38.440 38.440 37.364 1.076 18887 8402 1 14 . 1 1 96 96 ILE H H 96 8.380 8.380 8.020 0.360 18887 8403 1 14 . 1 1 97 97 ASN N N 97 117.000 117.000 118.407 -1.407 18887 8404 1 14 . 1 1 97 97 ASN HA H 97 4.420 4.420 4.413 0.007 18887 8405 1 14 . 1 1 97 97 ASN C C 97 178.380 178.380 177.624 0.756 18887 8406 1 14 . 1 1 97 97 ASN CA C 97 57.430 57.430 56.805 0.625 18887 8407 1 14 . 1 1 97 97 ASN CB C 97 39.030 39.030 38.488 0.542 18887 8408 1 14 . 1 1 97 97 ASN H H 97 8.730 8.730 7.974 0.755 18887 8409 1 14 . 1 1 98 98 ALA N N 98 123.790 123.790 122.815 0.975 18887 8410 1 14 . 1 1 98 98 ALA HA H 98 4.100 4.100 4.105 -0.005 18887 8411 1 14 . 1 1 98 98 ALA C C 98 169.600 169.600 179.231 -9.631 18887 8412 1 14 . 1 1 98 98 ALA CA C 98 55.890 55.890 55.038 0.852 18887 8413 1 14 . 1 1 98 98 ALA CB C 98 18.850 18.850 18.229 0.622 18887 8414 1 14 . 1 1 98 98 ALA H H 98 7.950 7.950 8.204 -0.254 18887 8415 1 14 . 1 1 99 99 ALA N N 99 122.120 122.120 120.894 1.226 18887 8416 1 14 . 1 1 99 99 ALA HA H 99 3.930 3.930 4.005 -0.075 18887 8417 1 14 . 1 1 99 99 ALA C C 99 178.700 178.700 179.462 -0.762 18887 8418 1 14 . 1 1 99 99 ALA CA C 99 55.920 55.920 54.623 1.297 18887 8419 1 14 . 1 1 99 99 ALA CB C 99 18.960 18.960 18.624 0.336 18887 8420 1 14 . 1 1 99 99 ALA H H 99 7.930 7.930 7.517 0.413 18887 8421 1 14 . 1 1 100 100 LEU N N 100 115.870 115.870 118.858 -2.988 18887 8422 1 14 . 1 1 100 100 LEU HA H 100 3.900 3.900 3.943 -0.043 18887 8423 1 14 . 1 1 100 100 LEU C C 100 169.150 169.150 178.966 -9.816 18887 8424 1 14 . 1 1 100 100 LEU CA C 100 58.140 58.140 57.504 0.636 18887 8425 1 14 . 1 1 100 100 LEU CB C 100 41.730 41.730 41.567 0.163 18887 8426 1 14 . 1 1 100 100 LEU H H 100 8.220 8.220 8.393 -0.173 18887 8427 1 14 . 1 1 101 101 ALA N N 101 120.410 120.410 120.884 -0.474 18887 8428 1 14 . 1 1 101 101 ALA HA H 101 4.100 4.100 4.121 -0.021 18887 8429 1 14 . 1 1 101 101 ALA C C 101 169.730 169.730 179.855 -10.125 18887 8430 1 14 . 1 1 101 101 ALA CA C 101 55.680 55.680 54.896 0.784 18887 8431 1 14 . 1 1 101 101 ALA CB C 101 18.860 18.860 18.100 0.760 18887 8432 1 14 . 1 1 101 101 ALA H H 101 7.970 7.970 8.133 -0.163 18887 8433 1 14 . 1 1 102 102 LEU N N 102 115.090 115.090 118.887 -3.797 18887 8434 1 14 . 1 1 102 102 LEU HA H 102 4.120 4.120 4.056 0.064 18887 8435 1 14 . 1 1 102 102 LEU C C 102 169.060 169.060 178.360 -9.300 18887 8436 1 14 . 1 1 102 102 LEU CA C 102 57.870 57.870 57.538 0.333 18887 8437 1 14 . 1 1 102 102 LEU CB C 102 43.730 43.730 42.127 1.603 18887 8438 1 14 . 1 1 102 102 LEU H H 102 7.330 7.330 7.500 -0.170 18887 8439 1 14 . 1 1 103 103 ILE N N 103 110.170 110.170 114.212 -4.042 18887 8440 1 14 . 1 1 103 103 ILE HA H 103 4.430 4.430 4.147 0.283 18887 8441 1 14 . 1 1 103 103 ILE C C 103 176.670 176.670 177.511 -0.841 18887 8442 1 14 . 1 1 103 103 ILE CA C 103 62.520 62.520 63.030 -0.510 18887 8443 1 14 . 1 1 103 103 ILE CB C 103 40.020 40.020 38.809 1.212 18887 8444 1 14 . 1 1 103 103 ILE H H 103 7.140 7.140 7.457 -0.317 18887 8445 1 14 . 1 1 104 104 ASP N N 104 122.560 122.560 118.514 4.046 18887 8446 1 14 . 1 1 104 104 ASP HA H 104 4.650 4.650 4.695 -0.045 18887 8447 1 14 . 1 1 104 104 ASP C C 104 176.670 176.670 176.290 0.380 18887 8448 1 14 . 1 1 104 104 ASP CA C 104 56.220 56.220 53.903 2.317 18887 8449 1 14 . 1 1 104 104 ASP CB C 104 42.080 42.080 43.358 -1.278 18887 8450 1 14 . 1 1 104 104 ASP H H 104 8.000 8.000 8.202 -0.202 18887 8451 1 14 . 1 1 105 105 GLU N N 105 120.750 120.750 115.903 4.847 18887 8452 1 14 . 1 1 105 105 GLU HA H 105 4.300 4.300 3.970 0.330 18887 8453 1 14 . 1 1 105 105 GLU C C 105 175.470 175.470 175.499 -0.029 18887 8454 1 14 . 1 1 105 105 GLU CA C 105 57.640 57.640 57.586 0.054 18887 8455 1 14 . 1 1 105 105 GLU CB C 105 30.870 30.870 28.485 2.385 18887 8456 1 14 . 1 1 105 105 GLU H H 105 8.030 8.030 8.152 -0.122 18887 8457 1 15 . 1 1 2 2 LYS N N 2 120.950 120.950 125.711 -4.761 18887 8458 1 15 . 1 1 2 2 LYS HA H 2 4.330 4.330 4.713 -0.383 18887 8459 1 15 . 1 1 2 2 LYS C C 2 176.040 176.040 176.030 0.010 18887 8460 1 15 . 1 1 2 2 LYS CA C 2 57.850 57.850 55.041 2.809 18887 8461 1 15 . 1 1 2 2 LYS CB C 2 33.480 33.480 30.231 3.249 18887 8462 1 15 . 1 1 2 2 LYS H H 2 8.220 8.220 8.458 -0.238 18887 8463 1 15 . 1 1 3 3 ARG N N 3 120.340 120.340 122.245 -1.905 18887 8464 1 15 . 1 1 3 3 ARG HA H 3 4.660 4.660 4.312 0.348 18887 8465 1 15 . 1 1 3 3 ARG C C 3 175.960 175.960 175.373 0.587 18887 8466 1 15 . 1 1 3 3 ARG CA C 3 53.810 53.810 55.203 -1.393 18887 8467 1 15 . 1 1 3 3 ARG CB C 3 29.710 29.710 31.751 -2.041 18887 8468 1 15 . 1 1 3 3 ARG H H 3 8.220 8.220 8.107 0.113 18887 8469 1 15 . 1 1 4 4 LYS N N 4 121.540 121.540 125.058 -3.518 18887 8470 1 15 . 1 1 4 4 LYS HA H 4 4.770 4.770 5.040 -0.270 18887 8471 1 15 . 1 1 4 4 LYS C C 4 174.820 174.820 176.211 -1.391 18887 8472 1 15 . 1 1 4 4 LYS CA C 4 57.230 57.230 55.526 1.704 18887 8473 1 15 . 1 1 4 4 LYS CB C 4 33.800 33.800 32.343 1.457 18887 8474 1 15 . 1 1 4 4 LYS H H 4 8.880 8.880 8.605 0.275 18887 8475 1 15 . 1 1 5 5 ILE N N 5 125.030 125.030 124.898 0.132 18887 8476 1 15 . 1 1 5 5 ILE HA H 5 4.530 4.530 4.492 0.038 18887 8477 1 15 . 1 1 5 5 ILE C C 5 175.420 175.420 174.036 1.384 18887 8478 1 15 . 1 1 5 5 ILE CA C 5 61.120 61.120 60.362 0.758 18887 8479 1 15 . 1 1 5 5 ILE CB C 5 41.880 41.880 42.231 -0.351 18887 8480 1 15 . 1 1 5 5 ILE H H 5 8.760 8.760 8.902 -0.142 18887 8481 1 15 . 1 1 6 6 ILE N N 6 119.270 119.270 121.490 -2.220 18887 8482 1 15 . 1 1 6 6 ILE HA H 6 5.440 5.440 5.059 0.381 18887 8483 1 15 . 1 1 6 6 ILE C C 6 173.880 173.880 173.612 0.268 18887 8484 1 15 . 1 1 6 6 ILE CA C 6 60.480 60.480 58.063 2.417 18887 8485 1 15 . 1 1 6 6 ILE CB C 6 42.120 42.120 39.651 2.469 18887 8486 1 15 . 1 1 6 6 ILE H H 6 8.110 8.110 8.198 -0.088 18887 8487 1 15 . 1 1 7 7 ALA N N 7 122.330 122.330 128.740 -6.410 18887 8488 1 15 . 1 1 7 7 ALA HA H 7 5.780 5.780 5.073 0.707 18887 8489 1 15 . 1 1 7 7 ALA C C 7 173.950 173.950 175.283 -1.333 18887 8490 1 15 . 1 1 7 7 ALA CA C 7 51.280 51.280 50.541 0.738 18887 8491 1 15 . 1 1 7 7 ALA CB C 7 25.930 25.930 22.597 3.333 18887 8492 1 15 . 1 1 7 7 ALA H H 7 8.790 8.790 8.745 0.045 18887 8493 1 15 . 1 1 8 8 VAL N N 8 119.860 119.860 125.000 -5.140 18887 8494 1 15 . 1 1 8 8 VAL HA H 8 5.190 5.190 4.703 0.487 18887 8495 1 15 . 1 1 8 8 VAL C C 8 175.590 175.590 175.465 0.125 18887 8496 1 15 . 1 1 8 8 VAL CA C 8 61.340 61.340 60.616 0.724 18887 8497 1 15 . 1 1 8 8 VAL CB C 8 36.650 36.650 33.755 2.895 18887 8498 1 15 . 1 1 8 8 VAL H H 8 8.950 8.950 8.745 0.205 18887 8499 1 15 . 1 1 9 9 THR N N 9 116.320 116.320 119.718 -3.398 18887 8500 1 15 . 1 1 9 9 THR HA H 9 5.500 5.500 5.210 0.290 18887 8501 1 15 . 1 1 9 9 THR C C 9 172.920 172.920 173.756 -0.836 18887 8502 1 15 . 1 1 9 9 THR CA C 9 59.470 59.470 59.764 -0.294 18887 8503 1 15 . 1 1 9 9 THR CB C 9 71.510 71.510 69.143 2.367 18887 8504 1 15 . 1 1 9 9 THR H H 9 8.860 8.860 9.095 -0.235 18887 8505 1 15 . 1 1 10 10 ALA N N 10 121.780 121.780 130.243 -8.463 18887 8506 1 15 . 1 1 10 10 ALA HA H 10 4.800 4.800 5.435 -0.635 18887 8507 1 15 . 1 1 10 10 ALA C C 10 174.680 174.680 175.782 -1.102 18887 8508 1 15 . 1 1 10 10 ALA CA C 10 54.300 54.300 50.615 3.685 18887 8509 1 15 . 1 1 10 10 ALA CB C 10 22.940 22.940 21.492 1.448 18887 8510 1 15 . 1 1 10 10 ALA H H 10 7.710 7.710 8.492 -0.782 18887 8511 1 15 . 1 1 11 11 CYS N N 11 121.780 121.780 122.467 -0.687 18887 8512 1 15 . 1 1 11 11 CYS HA H 11 5.160 5.160 4.698 0.462 18887 8513 1 15 . 1 1 11 11 CYS C C 11 174.700 174.700 173.133 1.567 18887 8514 1 15 . 1 1 11 11 CYS CA C 11 57.150 57.150 57.666 -0.516 18887 8515 1 15 . 1 1 11 11 CYS CB C 11 30.830 30.830 31.205 -0.375 18887 8516 1 15 . 1 1 11 11 CYS H H 11 8.140 8.140 8.225 -0.085 18887 8517 1 15 . 1 1 12 12 ALA N N 12 113.900 113.900 131.178 -17.278 18887 8518 1 15 . 1 1 12 12 ALA HA H 12 4.220 4.220 4.490 -0.270 18887 8519 1 15 . 1 1 12 12 ALA C C 12 168.950 168.950 178.496 -9.546 18887 8520 1 15 . 1 1 12 12 ALA CA C 12 55.270 55.270 53.035 2.235 18887 8521 1 15 . 1 1 12 12 ALA CB C 12 20.320 20.320 19.772 0.548 18887 8522 1 15 . 1 1 12 12 ALA H H 12 10.630 10.630 8.844 1.786 18887 8523 1 15 . 1 1 13 13 THR N N 13 109.490 109.490 114.469 -4.979 18887 8524 1 15 . 1 1 13 13 THR HA H 13 4.390 4.390 4.156 0.234 18887 8525 1 15 . 1 1 13 13 THR C C 13 174.870 174.870 176.079 -1.209 18887 8526 1 15 . 1 1 13 13 THR CA C 13 62.910 62.910 65.235 -2.325 18887 8527 1 15 . 1 1 13 13 THR CB C 13 70.640 70.640 69.231 1.409 18887 8528 1 15 . 1 1 13 13 THR H H 13 8.180 8.180 8.435 -0.255 18887 8529 1 15 . 1 1 14 14 GLY N N 14 111.450 111.450 111.051 0.399 18887 8530 1 15 . 1 1 14 14 GLY C C 14 173.680 173.680 174.943 -1.263 18887 8531 1 15 . 1 1 14 14 GLY CA C 14 47.050 47.050 44.284 2.766 18887 8532 1 15 . 1 1 14 14 GLY H H 14 7.880 7.880 7.647 0.233 18887 8533 1 15 . 1 1 15 15 VAL N N 15 119.530 119.530 122.448 -2.918 18887 8534 1 15 . 1 1 15 15 VAL HA H 15 4.110 4.110 3.771 0.339 18887 8535 1 15 . 1 1 15 15 VAL C C 15 176.860 176.860 177.160 -0.300 18887 8536 1 15 . 1 1 15 15 VAL CA C 15 64.740 64.740 64.614 0.126 18887 8537 1 15 . 1 1 15 15 VAL CB C 15 33.690 33.690 31.362 2.328 18887 8538 1 15 . 1 1 15 15 VAL H H 15 8.250 8.250 8.214 0.036 18887 8539 1 15 . 1 1 16 16 ALA N N 16 123.230 123.230 122.135 1.095 18887 8540 1 15 . 1 1 16 16 ALA HA H 16 4.230 4.230 4.233 -0.003 18887 8541 1 15 . 1 1 16 16 ALA C C 16 170.610 170.610 179.345 -8.735 18887 8542 1 15 . 1 1 16 16 ALA CA C 16 56.280 56.280 54.540 1.740 18887 8543 1 15 . 1 1 16 16 ALA CB C 16 19.320 19.320 18.702 0.618 18887 8544 1 15 . 1 1 16 16 ALA H H 16 8.430 8.430 8.234 0.196 18887 8545 1 15 . 1 1 17 17 HIS HA H 17 4.380 4.380 4.339 0.041 18887 8546 1 15 . 1 1 17 17 HIS C C 17 177.260 177.260 177.850 -0.590 18887 8547 1 15 . 1 1 17 17 HIS CA C 17 60.060 60.060 59.404 0.656 18887 8548 1 15 . 1 1 17 17 HIS CB C 17 31.990 31.990 30.124 1.866 18887 8549 1 15 . 1 1 18 18 THR N N 18 115.830 115.830 117.413 -1.583 18887 8550 1 15 . 1 1 18 18 THR HA H 18 3.540 3.540 3.853 -0.313 18887 8551 1 15 . 1 1 18 18 THR C C 18 176.690 176.690 176.143 0.547 18887 8552 1 15 . 1 1 18 18 THR CA C 18 67.700 67.700 67.465 0.235 18887 8553 1 15 . 1 1 18 18 THR CB C 18 69.550 69.550 68.599 0.951 18887 8554 1 15 . 1 1 18 18 THR H H 18 7.590 7.590 7.592 -0.002 18887 8555 1 15 . 1 1 19 19 TYR N N 19 121.050 121.050 118.828 2.222 18887 8556 1 15 . 1 1 19 19 TYR HA H 19 4.340 4.340 4.452 -0.113 18887 8557 1 15 . 1 1 19 19 TYR C C 19 178.420 178.420 177.856 0.564 18887 8558 1 15 . 1 1 19 19 TYR CA C 19 61.220 61.220 60.380 0.840 18887 8559 1 15 . 1 1 19 19 TYR CB C 19 38.400 38.400 37.532 0.868 18887 8560 1 15 . 1 1 19 19 TYR H H 19 7.710 7.710 7.257 0.453 18887 8561 1 15 . 1 1 20 20 MET N N 20 120.220 120.220 120.034 0.186 18887 8562 1 15 . 1 1 20 20 MET HA H 20 4.160 4.160 4.063 0.097 18887 8563 1 15 . 1 1 20 20 MET C C 20 169.550 169.550 177.869 -8.319 18887 8564 1 15 . 1 1 20 20 MET CA C 20 60.050 60.050 58.553 1.497 18887 8565 1 15 . 1 1 20 20 MET CB C 20 34.410 34.410 32.654 1.756 18887 8566 1 15 . 1 1 20 20 MET H H 20 8.470 8.470 7.828 0.642 18887 8567 1 15 . 1 1 21 21 ALA N N 21 122.280 122.280 121.984 0.296 18887 8568 1 15 . 1 1 21 21 ALA HA H 21 3.870 3.870 3.961 -0.091 18887 8569 1 15 . 1 1 21 21 ALA C C 21 178.630 178.630 179.092 -0.462 18887 8570 1 15 . 1 1 21 21 ALA CA C 21 56.760 56.760 55.318 1.442 18887 8571 1 15 . 1 1 21 21 ALA CB C 21 19.690 19.690 18.142 1.548 18887 8572 1 15 . 1 1 21 21 ALA H H 21 8.490 8.490 8.488 0.002 18887 8573 1 15 . 1 1 22 22 ALA N N 22 120.240 120.240 121.081 -0.841 18887 8574 1 15 . 1 1 22 22 ALA HA H 22 3.900 3.900 3.859 0.041 18887 8575 1 15 . 1 1 22 22 ALA C C 22 169.200 169.200 179.755 -10.555 18887 8576 1 15 . 1 1 22 22 ALA CA C 22 56.880 56.880 55.326 1.554 18887 8577 1 15 . 1 1 22 22 ALA CB C 22 19.560 19.560 18.340 1.220 18887 8578 1 15 . 1 1 22 22 ALA H H 22 7.660 7.660 7.800 -0.140 18887 8579 1 15 . 1 1 23 23 GLN N N 23 116.680 116.680 118.451 -1.771 18887 8580 1 15 . 1 1 23 23 GLN HA H 23 3.940 3.940 4.028 -0.088 18887 8581 1 15 . 1 1 23 23 GLN C C 23 178.500 178.500 178.582 -0.082 18887 8582 1 15 . 1 1 23 23 GLN CA C 23 59.550 59.550 58.690 0.860 18887 8583 1 15 . 1 1 23 23 GLN CB C 23 29.660 29.660 28.830 0.830 18887 8584 1 15 . 1 1 23 23 GLN H H 23 8.430 8.430 7.874 0.556 18887 8585 1 15 . 1 1 24 24 ALA N N 24 121.760 121.760 123.240 -1.480 18887 8586 1 15 . 1 1 24 24 ALA HA H 24 4.140 4.140 4.050 0.090 18887 8587 1 15 . 1 1 24 24 ALA C C 24 171.490 171.490 179.320 -7.830 18887 8588 1 15 . 1 1 24 24 ALA CA C 24 56.060 56.060 55.169 0.891 18887 8589 1 15 . 1 1 24 24 ALA CB C 24 19.760 19.760 18.560 1.200 18887 8590 1 15 . 1 1 24 24 ALA H H 24 8.130 8.130 8.479 -0.349 18887 8591 1 15 . 1 1 25 25 LEU N N 25 118.730 118.730 120.498 -1.768 18887 8592 1 15 . 1 1 25 25 LEU HA H 25 3.850 3.850 4.034 -0.184 18887 8593 1 15 . 1 1 25 25 LEU C C 25 177.990 177.990 178.539 -0.549 18887 8594 1 15 . 1 1 25 25 LEU CA C 25 59.280 59.280 57.594 1.686 18887 8595 1 15 . 1 1 25 25 LEU CB C 25 43.190 43.190 41.713 1.477 18887 8596 1 15 . 1 1 25 25 LEU H H 25 8.030 8.030 8.481 -0.451 18887 8597 1 15 . 1 1 26 26 LYS N N 26 118.850 118.850 119.079 -0.229 18887 8598 1 15 . 1 1 26 26 LYS HA H 26 3.840 3.840 3.836 0.004 18887 8599 1 15 . 1 1 26 26 LYS C C 26 169.460 169.460 178.840 -9.380 18887 8600 1 15 . 1 1 26 26 LYS CA C 26 61.420 61.420 60.239 1.181 18887 8601 1 15 . 1 1 26 26 LYS CB C 26 33.440 33.440 32.059 1.381 18887 8602 1 15 . 1 1 26 26 LYS H H 26 8.000 8.000 8.299 -0.299 18887 8603 1 15 . 1 1 27 27 LYS N N 27 120.350 120.350 119.806 0.544 18887 8604 1 15 . 1 1 27 27 LYS HA H 27 3.990 3.990 4.059 -0.069 18887 8605 1 15 . 1 1 27 27 LYS C C 27 169.670 169.670 179.313 -9.643 18887 8606 1 15 . 1 1 27 27 LYS CA C 27 60.700 60.700 58.952 1.748 18887 8607 1 15 . 1 1 27 27 LYS CB C 27 33.620 33.620 31.990 1.630 18887 8608 1 15 . 1 1 27 27 LYS H H 27 8.350 8.350 8.039 0.311 18887 8609 1 15 . 1 1 28 28 GLY N N 28 125.170 125.170 105.979 19.191 18887 8610 1 15 . 1 1 28 28 GLY C C 28 174.520 174.520 175.799 -1.279 18887 8611 1 15 . 1 1 28 28 GLY CA C 28 47.870 47.870 46.595 1.275 18887 8612 1 15 . 1 1 28 28 GLY H H 28 8.410 8.410 8.069 0.341 18887 8613 1 15 . 1 1 29 29 ALA N N 29 122.370 122.370 124.710 -2.340 18887 8614 1 15 . 1 1 29 29 ALA HA H 29 3.820 3.820 3.958 -0.138 18887 8615 1 15 . 1 1 29 29 ALA C C 29 169.050 169.050 178.821 -9.771 18887 8616 1 15 . 1 1 29 29 ALA CA C 29 56.840 56.840 54.886 1.954 18887 8617 1 15 . 1 1 29 29 ALA CB C 29 18.800 18.800 18.434 0.366 18887 8618 1 15 . 1 1 29 29 ALA H H 29 8.280 8.280 8.427 -0.147 18887 8619 1 15 . 1 1 30 30 LYS N N 30 117.490 117.490 119.035 -1.545 18887 8620 1 15 . 1 1 30 30 LYS HA H 30 4.130 4.130 4.112 0.019 18887 8621 1 15 . 1 1 30 30 LYS C C 30 170.330 170.330 178.385 -8.055 18887 8622 1 15 . 1 1 30 30 LYS CA C 30 60.420 60.420 58.417 2.003 18887 8623 1 15 . 1 1 30 30 LYS CB C 30 33.230 33.230 32.307 0.923 18887 8624 1 15 . 1 1 30 30 LYS H H 30 7.720 7.720 8.462 -0.742 18887 8625 1 15 . 1 1 31 31 LYS N N 31 121.050 121.050 119.260 1.790 18887 8626 1 15 . 1 1 31 31 LYS HA H 31 4.020 4.020 4.072 -0.052 18887 8627 1 15 . 1 1 31 31 LYS C C 31 178.160 178.160 177.916 0.244 18887 8628 1 15 . 1 1 31 31 LYS CA C 31 60.360 60.360 58.990 1.370 18887 8629 1 15 . 1 1 31 31 LYS CB C 31 33.380 33.380 32.447 0.934 18887 8630 1 15 . 1 1 31 31 LYS H H 31 7.930 7.930 7.508 0.422 18887 8631 1 15 . 1 1 32 32 MET N N 32 114.620 114.620 115.042 -0.422 18887 8632 1 15 . 1 1 32 32 MET HA H 32 4.240 4.240 4.523 -0.283 18887 8633 1 15 . 1 1 32 32 MET C C 32 175.810 175.810 176.819 -1.009 18887 8634 1 15 . 1 1 32 32 MET CA C 32 57.400 57.400 54.578 2.821 18887 8635 1 15 . 1 1 32 32 MET CB C 32 37.710 37.710 32.660 5.050 18887 8636 1 15 . 1 1 32 32 MET H H 32 7.420 7.420 7.398 0.022 18887 8637 1 15 . 1 1 33 33 GLY N N 33 124.900 124.900 107.297 17.603 18887 8638 1 15 . 1 1 33 33 GLY C C 33 174.340 174.340 174.329 0.011 18887 8639 1 15 . 1 1 33 33 GLY CA C 33 46.830 46.830 45.390 1.440 18887 8640 1 15 . 1 1 33 33 GLY H H 33 7.860 7.860 7.958 -0.098 18887 8641 1 15 . 1 1 34 34 ASN N N 34 116.070 116.070 118.868 -2.798 18887 8642 1 15 . 1 1 34 34 ASN HA H 34 5.210 5.210 5.183 0.027 18887 8643 1 15 . 1 1 34 34 ASN C C 34 173.080 173.080 175.752 -2.672 18887 8644 1 15 . 1 1 34 34 ASN CA C 34 52.770 52.770 53.318 -0.548 18887 8645 1 15 . 1 1 34 34 ASN CB C 34 42.880 42.880 39.556 3.324 18887 8646 1 15 . 1 1 34 34 ASN H H 34 8.160 8.160 8.110 0.050 18887 8647 1 15 . 1 1 35 35 LEU N N 35 121.450 121.450 122.791 -1.341 18887 8648 1 15 . 1 1 35 35 LEU HA H 35 4.620 4.620 4.641 -0.021 18887 8649 1 15 . 1 1 35 35 LEU C C 35 174.930 174.930 175.075 -0.145 18887 8650 1 15 . 1 1 35 35 LEU CA C 35 55.150 55.150 53.782 1.368 18887 8651 1 15 . 1 1 35 35 LEU CB C 35 44.760 44.760 42.452 2.308 18887 8652 1 15 . 1 1 35 35 LEU H H 35 8.770 8.770 8.793 -0.023 18887 8653 1 15 . 1 1 36 36 ILE N N 36 119.690 119.690 124.189 -4.499 18887 8654 1 15 . 1 1 36 36 ILE HA H 36 5.660 5.660 5.066 0.594 18887 8655 1 15 . 1 1 36 36 ILE C C 36 172.620 172.620 175.125 -2.505 18887 8656 1 15 . 1 1 36 36 ILE CA C 36 59.410 59.410 59.053 0.357 18887 8657 1 15 . 1 1 36 36 ILE CB C 36 44.340 44.340 41.096 3.244 18887 8658 1 15 . 1 1 36 36 ILE H H 36 8.390 8.390 8.462 -0.072 18887 8659 1 15 . 1 1 37 37 LYS N N 37 126.230 126.230 128.917 -2.687 18887 8660 1 15 . 1 1 37 37 LYS HA H 37 4.590 4.590 4.700 -0.110 18887 8661 1 15 . 1 1 37 37 LYS C C 37 174.340 174.340 174.792 -0.452 18887 8662 1 15 . 1 1 37 37 LYS CA C 37 57.050 57.050 53.852 3.197 18887 8663 1 15 . 1 1 37 37 LYS CB C 37 36.860 36.860 32.717 4.143 18887 8664 1 15 . 1 1 37 37 LYS H H 37 7.210 7.210 8.973 -1.763 18887 8665 1 15 . 1 1 38 38 VAL N N 38 124.270 124.270 126.141 -1.871 18887 8666 1 15 . 1 1 38 38 VAL HA H 38 4.920 4.920 4.822 0.098 18887 8667 1 15 . 1 1 38 38 VAL C C 38 174.660 174.660 175.866 -1.206 18887 8668 1 15 . 1 1 38 38 VAL CA C 38 61.420 61.420 61.545 -0.125 18887 8669 1 15 . 1 1 38 38 VAL CB C 38 35.020 35.020 32.466 2.554 18887 8670 1 15 . 1 1 38 38 VAL H H 38 8.760 8.760 8.675 0.085 18887 8671 1 15 . 1 1 39 39 GLU N N 39 114.800 114.800 129.025 -14.225 18887 8672 1 15 . 1 1 39 39 GLU HA H 39 5.020 5.020 4.754 0.266 18887 8673 1 15 . 1 1 39 39 GLU C C 39 175.680 175.680 175.835 -0.155 18887 8674 1 15 . 1 1 39 39 GLU CA C 39 55.680 55.680 54.679 1.001 18887 8675 1 15 . 1 1 39 39 GLU CB C 39 33.940 33.940 33.174 0.766 18887 8676 1 15 . 1 1 39 39 GLU H H 39 9.210 9.210 9.102 0.108 18887 8677 1 15 . 1 1 40 40 THR N N 40 115.120 115.120 116.637 -1.517 18887 8678 1 15 . 1 1 40 40 THR HA H 40 5.180 5.180 5.205 -0.025 18887 8679 1 15 . 1 1 40 40 THR C C 40 174.200 174.200 173.476 0.724 18887 8680 1 15 . 1 1 40 40 THR CA C 40 59.710 59.710 60.463 -0.753 18887 8681 1 15 . 1 1 40 40 THR CB C 40 71.270 71.270 69.883 1.387 18887 8682 1 15 . 1 1 40 40 THR H H 40 8.500 8.500 8.302 0.198 18887 8683 1 15 . 1 1 41 41 GLN N N 41 119.850 119.850 127.339 -7.489 18887 8684 1 15 . 1 1 41 41 GLN HA H 41 4.990 4.990 5.223 -0.233 18887 8685 1 15 . 1 1 41 41 GLN C C 41 175.110 175.110 174.561 0.549 18887 8686 1 15 . 1 1 41 41 GLN CA C 41 54.980 54.980 54.054 0.926 18887 8687 1 15 . 1 1 41 41 GLN CB C 41 29.780 29.780 32.731 -2.951 18887 8688 1 15 . 1 1 41 41 GLN H H 41 8.470 8.470 8.118 0.352 18887 8689 1 15 . 1 1 42 42 GLY N N 42 109.530 109.530 111.370 -1.840 18887 8690 1 15 . 1 1 42 42 GLY C C 42 174.750 174.750 172.976 1.774 18887 8691 1 15 . 1 1 42 42 GLY CA C 42 45.630 45.630 46.286 -0.656 18887 8692 1 15 . 1 1 42 42 GLY H H 42 7.890 7.890 8.079 -0.189 18887 8693 1 15 . 1 1 43 43 ALA N N 43 123.850 123.850 124.571 -0.721 18887 8694 1 15 . 1 1 43 43 ALA HA H 43 4.170 4.170 4.746 -0.576 18887 8695 1 15 . 1 1 43 43 ALA C C 43 169.490 169.490 177.770 -8.280 18887 8696 1 15 . 1 1 43 43 ALA CA C 43 56.170 56.170 50.952 5.218 18887 8697 1 15 . 1 1 43 43 ALA CB C 43 19.910 19.910 17.503 2.408 18887 8698 1 15 . 1 1 43 43 ALA H H 43 8.730 8.730 8.118 0.612 18887 8699 1 15 . 1 1 44 44 THR N N 44 122.380 122.380 115.998 6.382 18887 8700 1 15 . 1 1 44 44 THR HA H 44 4.390 4.390 3.819 0.571 18887 8701 1 15 . 1 1 44 44 THR C C 44 174.260 174.260 174.809 -0.549 18887 8702 1 15 . 1 1 44 44 THR CA C 44 62.190 62.190 64.402 -2.212 18887 8703 1 15 . 1 1 44 44 THR CB C 44 70.080 70.080 68.059 2.021 18887 8704 1 15 . 1 1 44 44 THR H H 44 7.950 7.950 8.559 -0.609 18887 8705 1 15 . 1 1 45 45 GLY N N 45 109.360 109.360 107.798 1.562 18887 8706 1 15 . 1 1 45 45 GLY C C 45 172.380 172.380 172.235 0.145 18887 8707 1 15 . 1 1 45 45 GLY CA C 45 45.510 45.510 43.494 2.016 18887 8708 1 15 . 1 1 45 45 GLY H H 45 7.560 7.560 7.924 -0.364 18887 8709 1 15 . 1 1 46 46 ILE N N 46 122.050 122.050 119.236 2.814 18887 8710 1 15 . 1 1 46 46 ILE HA H 46 4.780 4.780 4.752 0.028 18887 8711 1 15 . 1 1 46 46 ILE C C 46 176.010 176.010 176.041 -0.031 18887 8712 1 15 . 1 1 46 46 ILE CA C 46 61.950 61.950 59.032 2.918 18887 8713 1 15 . 1 1 46 46 ILE CB C 46 40.810 40.810 38.630 2.180 18887 8714 1 15 . 1 1 46 46 ILE H H 46 8.480 8.480 8.339 0.141 18887 8715 1 15 . 1 1 47 47 GLU N N 47 109.160 109.160 127.332 -18.172 18887 8716 1 15 . 1 1 47 47 GLU HA H 47 4.660 4.660 4.311 0.349 18887 8717 1 15 . 1 1 47 47 GLU C C 47 174.750 174.750 177.637 -2.887 18887 8718 1 15 . 1 1 47 47 GLU CA C 47 55.940 55.940 58.108 -2.168 18887 8719 1 15 . 1 1 47 47 GLU CB C 47 33.640 33.640 30.641 2.999 18887 8720 1 15 . 1 1 47 47 GLU H H 47 9.000 9.000 9.117 -0.117 18887 8721 1 15 . 1 1 48 48 ASN N N 48 120.510 120.510 119.994 0.516 18887 8722 1 15 . 1 1 48 48 ASN HA H 48 4.230 4.230 4.745 -0.515 18887 8723 1 15 . 1 1 48 48 ASN C C 48 173.090 173.090 173.925 -0.835 18887 8724 1 15 . 1 1 48 48 ASN CA C 48 54.770 54.770 52.029 2.741 18887 8725 1 15 . 1 1 48 48 ASN CB C 48 38.800 38.800 38.064 0.736 18887 8726 1 15 . 1 1 48 48 ASN H H 48 8.930 8.930 8.121 0.809 18887 8727 1 15 . 1 1 49 49 GLU N N 49 114.160 114.160 123.059 -8.899 18887 8728 1 15 . 1 1 49 49 GLU HA H 49 3.890 3.890 4.214 -0.324 18887 8729 1 15 . 1 1 49 49 GLU C C 49 177.780 177.780 176.225 1.555 18887 8730 1 15 . 1 1 49 49 GLU CA C 49 57.870 57.870 57.184 0.686 18887 8731 1 15 . 1 1 49 49 GLU CB C 49 31.900 31.900 29.753 2.147 18887 8732 1 15 . 1 1 49 49 GLU H H 49 7.690 7.690 7.921 -0.231 18887 8733 1 15 . 1 1 50 50 LEU N N 50 109.440 109.440 128.922 -19.482 18887 8734 1 15 . 1 1 50 50 LEU HA H 50 4.680 4.680 4.455 0.225 18887 8735 1 15 . 1 1 50 50 LEU C C 50 177.490 177.490 177.515 -0.025 18887 8736 1 15 . 1 1 50 50 LEU CA C 50 55.520 55.520 54.708 0.812 18887 8737 1 15 . 1 1 50 50 LEU CB C 50 43.440 43.440 43.093 0.346 18887 8738 1 15 . 1 1 50 50 LEU H H 50 9.560 9.560 9.130 0.430 18887 8739 1 15 . 1 1 51 51 THR N N 51 117.490 117.490 114.171 3.319 18887 8740 1 15 . 1 1 51 51 THR HA H 51 4.420 4.420 4.653 -0.233 18887 8741 1 15 . 1 1 51 51 THR C C 51 175.010 175.010 175.407 -0.397 18887 8742 1 15 . 1 1 51 51 THR CA C 51 61.230 61.230 59.867 1.363 18887 8743 1 15 . 1 1 51 51 THR CB C 51 72.860 72.860 71.283 1.577 18887 8744 1 15 . 1 1 51 51 THR H H 51 9.380 9.380 9.005 0.375 18887 8745 1 15 . 1 1 52 52 GLU N N 52 120.490 120.490 121.165 -0.675 18887 8746 1 15 . 1 1 52 52 GLU HA H 52 3.860 3.860 4.043 -0.183 18887 8747 1 15 . 1 1 52 52 GLU C C 52 178.660 178.660 178.857 -0.197 18887 8748 1 15 . 1 1 52 52 GLU CA C 52 61.130 61.130 59.967 1.163 18887 8749 1 15 . 1 1 52 52 GLU CB C 52 30.280 30.280 29.185 1.095 18887 8750 1 15 . 1 1 52 52 GLU H H 52 8.910 8.910 8.856 0.054 18887 8751 1 15 . 1 1 53 53 LYS N N 53 118.660 118.660 119.649 -0.989 18887 8752 1 15 . 1 1 53 53 LYS HA H 53 4.020 4.020 4.011 0.009 18887 8753 1 15 . 1 1 53 53 LYS C C 53 178.190 178.190 178.376 -0.186 18887 8754 1 15 . 1 1 53 53 LYS CA C 53 60.390 60.390 59.343 1.047 18887 8755 1 15 . 1 1 53 53 LYS CB C 53 33.210 33.210 32.218 0.992 18887 8756 1 15 . 1 1 53 53 LYS H H 53 7.890 7.890 8.290 -0.400 18887 8757 1 15 . 1 1 54 54 ASP N N 54 118.400 118.400 119.629 -1.229 18887 8758 1 15 . 1 1 54 54 ASP HA H 54 4.200 4.200 4.369 -0.169 18887 8759 1 15 . 1 1 54 54 ASP C C 54 169.070 169.070 178.768 -9.698 18887 8760 1 15 . 1 1 54 54 ASP CA C 54 58.300 58.300 57.592 0.708 18887 8761 1 15 . 1 1 54 54 ASP CB C 54 43.110 43.110 40.758 2.352 18887 8762 1 15 . 1 1 54 54 ASP H H 54 7.440 7.440 7.662 -0.222 18887 8763 1 15 . 1 1 55 55 VAL N N 55 118.420 118.420 120.201 -1.781 18887 8764 1 15 . 1 1 55 55 VAL HA H 55 3.520 3.520 3.798 -0.278 18887 8765 1 15 . 1 1 55 55 VAL C C 55 176.980 176.980 177.666 -0.686 18887 8766 1 15 . 1 1 55 55 VAL CA C 55 66.950 66.950 66.907 0.043 18887 8767 1 15 . 1 1 55 55 VAL CB C 55 32.360 32.360 31.576 0.784 18887 8768 1 15 . 1 1 55 55 VAL H H 55 8.150 8.150 8.132 0.018 18887 8769 1 15 . 1 1 56 56 ASN N N 56 117.100 117.100 115.445 1.655 18887 8770 1 15 . 1 1 56 56 ASN HA H 56 4.410 4.410 4.681 -0.271 18887 8771 1 15 . 1 1 56 56 ASN C C 56 177.330 177.330 176.188 1.142 18887 8772 1 15 . 1 1 56 56 ASN CA C 56 57.170 57.170 54.998 2.172 18887 8773 1 15 . 1 1 56 56 ASN CB C 56 39.930 39.930 39.286 0.644 18887 8774 1 15 . 1 1 56 56 ASN H H 56 8.000 8.000 7.905 0.095 18887 8775 1 15 . 1 1 57 57 ILE N N 57 115.580 115.580 118.791 -3.211 18887 8776 1 15 . 1 1 57 57 ILE HA H 57 3.950 3.950 4.164 -0.214 18887 8777 1 15 . 1 1 57 57 ILE C C 57 176.980 176.980 176.636 0.344 18887 8778 1 15 . 1 1 57 57 ILE CA C 57 63.240 63.240 61.712 1.528 18887 8779 1 15 . 1 1 57 57 ILE CB C 57 39.890 39.890 38.442 1.448 18887 8780 1 15 . 1 1 57 57 ILE H H 57 7.600 7.600 7.651 -0.051 18887 8781 1 15 . 1 1 58 58 GLY N N 58 124.080 124.080 107.644 16.436 18887 8782 1 15 . 1 1 58 58 GLY C C 58 173.190 173.190 174.688 -1.498 18887 8783 1 15 . 1 1 58 58 GLY CA C 58 47.110 47.110 45.075 2.035 18887 8784 1 15 . 1 1 58 58 GLY H H 58 7.630 7.630 8.305 -0.675 18887 8785 1 15 . 1 1 59 59 GLU N N 59 123.240 123.240 125.587 -2.347 18887 8786 1 15 . 1 1 59 59 GLU HA H 59 4.240 4.240 4.201 0.039 18887 8787 1 15 . 1 1 59 59 GLU C C 59 176.750 176.750 177.100 -0.350 18887 8788 1 15 . 1 1 59 59 GLU CA C 59 59.830 59.830 58.908 0.922 18887 8789 1 15 . 1 1 59 59 GLU CB C 59 33.100 33.100 30.385 2.715 18887 8790 1 15 . 1 1 59 59 GLU H H 59 9.350 9.350 8.747 0.603 18887 8791 1 15 . 1 1 60 60 VAL N N 60 114.370 114.370 112.366 2.004 18887 8792 1 15 . 1 1 60 60 VAL HA H 60 4.410 4.410 4.334 0.076 18887 8793 1 15 . 1 1 60 60 VAL C C 60 170.270 170.270 174.641 -4.371 18887 8794 1 15 . 1 1 60 60 VAL CA C 60 60.710 60.710 60.690 0.021 18887 8795 1 15 . 1 1 60 60 VAL CB C 60 35.150 35.150 33.528 1.622 18887 8796 1 15 . 1 1 60 60 VAL H H 60 7.640 7.640 7.276 0.364 18887 8797 1 15 . 1 1 61 61 VAL N N 61 125.780 125.780 122.515 3.265 18887 8798 1 15 . 1 1 61 61 VAL HA H 61 4.970 4.970 4.718 0.252 18887 8799 1 15 . 1 1 61 61 VAL C C 61 174.450 174.450 175.073 -0.623 18887 8800 1 15 . 1 1 61 61 VAL CA C 61 60.260 60.260 60.165 0.095 18887 8801 1 15 . 1 1 61 61 VAL CB C 61 34.710 34.710 32.559 2.151 18887 8802 1 15 . 1 1 61 61 VAL H H 61 8.290 8.290 8.445 -0.155 18887 8803 1 15 . 1 1 62 62 ILE N N 62 124.740 124.740 127.305 -2.565 18887 8804 1 15 . 1 1 62 62 ILE HA H 62 4.820 4.820 4.672 0.148 18887 8805 1 15 . 1 1 62 62 ILE C C 62 175.020 175.020 174.561 0.459 18887 8806 1 15 . 1 1 62 62 ILE CA C 62 60.490 60.490 59.870 0.620 18887 8807 1 15 . 1 1 62 62 ILE CB C 62 42.560 42.560 39.729 2.831 18887 8808 1 15 . 1 1 62 62 ILE H H 62 8.580 8.580 8.455 0.125 18887 8809 1 15 . 1 1 63 63 PHE N N 63 109.510 109.510 127.046 -17.536 18887 8810 1 15 . 1 1 63 63 PHE HA H 63 5.490 5.490 5.096 0.394 18887 8811 1 15 . 1 1 63 63 PHE C C 63 173.600 173.600 174.258 -0.658 18887 8812 1 15 . 1 1 63 63 PHE CA C 63 53.020 53.020 55.429 -2.409 18887 8813 1 15 . 1 1 63 63 PHE CB C 63 40.150 40.150 40.330 -0.180 18887 8814 1 15 . 1 1 63 63 PHE H H 63 9.320 9.320 9.137 0.183 18887 8815 1 15 . 1 1 64 64 ALA N N 64 112.790 112.790 128.930 -16.140 18887 8816 1 15 . 1 1 64 64 ALA HA H 64 5.430 5.430 5.299 0.131 18887 8817 1 15 . 1 1 64 64 ALA C C 64 175.040 175.040 176.106 -1.066 18887 8818 1 15 . 1 1 64 64 ALA CA C 64 50.740 50.740 50.278 0.462 18887 8819 1 15 . 1 1 64 64 ALA CB C 64 19.690 19.690 18.989 0.701 18887 8820 1 15 . 1 1 64 64 ALA H H 64 8.840 8.840 8.477 0.363 18887 8821 1 15 . 1 1 65 65 VAL N N 65 110.260 110.260 117.764 -7.504 18887 8822 1 15 . 1 1 65 65 VAL HA H 65 5.690 5.690 4.955 0.735 18887 8823 1 15 . 1 1 65 65 VAL C C 65 175.380 175.380 174.540 0.840 18887 8824 1 15 . 1 1 65 65 VAL CA C 65 59.060 59.060 59.323 -0.263 18887 8825 1 15 . 1 1 65 65 VAL CB C 65 38.800 38.800 35.398 3.401 18887 8826 1 15 . 1 1 65 65 VAL H H 65 8.080 8.080 7.987 0.093 18887 8827 1 15 . 1 1 66 66 ASP N N 66 119.250 119.250 122.644 -3.394 18887 8828 1 15 . 1 1 66 66 ASP HA H 66 4.870 4.870 4.888 -0.018 18887 8829 1 15 . 1 1 66 66 ASP C C 66 175.600 175.600 176.141 -0.541 18887 8830 1 15 . 1 1 66 66 ASP CA C 66 53.780 53.780 54.881 -1.101 18887 8831 1 15 . 1 1 66 66 ASP CB C 66 42.910 42.910 43.049 -0.139 18887 8832 1 15 . 1 1 66 66 ASP H H 66 7.760 7.760 9.185 -1.425 18887 8833 1 15 . 1 1 67 67 THR N N 67 112.330 112.330 115.901 -3.571 18887 8834 1 15 . 1 1 67 67 THR HA H 67 4.510 4.510 4.454 0.056 18887 8835 1 15 . 1 1 67 67 THR C C 67 172.370 172.370 173.125 -0.755 18887 8836 1 15 . 1 1 67 67 THR CA C 67 59.650 59.650 59.897 -0.247 18887 8837 1 15 . 1 1 67 67 THR CB C 67 70.230 70.230 70.500 -0.270 18887 8838 1 15 . 1 1 67 67 THR H H 67 7.070 7.070 7.635 -0.565 18887 8839 1 15 . 1 1 68 68 LYS N N 68 121.380 121.380 120.551 0.829 18887 8840 1 15 . 1 1 68 68 LYS HA H 68 4.080 4.080 4.367 -0.287 18887 8841 1 15 . 1 1 68 68 LYS C C 68 176.250 176.250 175.078 1.172 18887 8842 1 15 . 1 1 68 68 LYS CA C 68 57.470 57.470 55.554 1.916 18887 8843 1 15 . 1 1 68 68 LYS CB C 68 34.020 34.020 33.543 0.477 18887 8844 1 15 . 1 1 68 68 LYS H H 68 7.540 7.540 8.107 -0.567 18887 8845 1 15 . 1 1 69 69 VAL N N 69 125.310 125.310 113.839 11.471 18887 8846 1 15 . 1 1 69 69 VAL HA H 69 3.320 3.320 4.475 -1.155 18887 8847 1 15 . 1 1 69 69 VAL C C 69 175.890 175.890 175.047 0.843 18887 8848 1 15 . 1 1 69 69 VAL CA C 69 64.110 64.110 59.990 4.120 18887 8849 1 15 . 1 1 69 69 VAL CB C 69 33.810 33.810 34.741 -0.931 18887 8850 1 15 . 1 1 69 69 VAL H H 69 8.320 8.320 7.954 0.366 18887 8851 1 15 . 1 1 70 70 ARG N N 70 111.240 111.240 120.137 -8.897 18887 8852 1 15 . 1 1 70 70 ARG HA H 70 4.160 4.160 4.336 -0.176 18887 8853 1 15 . 1 1 70 70 ARG C C 70 177.030 177.030 178.159 -1.129 18887 8854 1 15 . 1 1 70 70 ARG CA C 70 57.630 57.630 58.285 -0.655 18887 8855 1 15 . 1 1 70 70 ARG CB C 70 31.440 31.440 31.118 0.322 18887 8856 1 15 . 1 1 70 70 ARG H H 70 9.580 9.580 8.664 0.916 18887 8857 1 15 . 1 1 71 71 ASN N N 71 120.660 120.660 118.460 2.200 18887 8858 1 15 . 1 1 71 71 ASN HA H 71 4.670 4.670 4.604 0.066 18887 8859 1 15 . 1 1 71 71 ASN C C 71 177.530 177.530 176.554 0.976 18887 8860 1 15 . 1 1 71 71 ASN CA C 71 54.770 54.770 54.485 0.285 18887 8861 1 15 . 1 1 71 71 ASN CB C 71 37.130 37.130 38.021 -0.891 18887 8862 1 15 . 1 1 71 71 ASN H H 71 9.170 9.170 8.289 0.881 18887 8863 1 15 . 1 1 72 72 LYS N N 72 120.730 120.730 121.578 -0.848 18887 8864 1 15 . 1 1 72 72 LYS HA H 72 4.010 4.010 4.601 -0.591 18887 8865 1 15 . 1 1 72 72 LYS C C 72 177.790 177.790 177.916 -0.126 18887 8866 1 15 . 1 1 72 72 LYS CA C 72 59.910 59.910 59.090 0.820 18887 8867 1 15 . 1 1 72 72 LYS CB C 72 33.260 33.260 32.305 0.955 18887 8868 1 15 . 1 1 72 72 LYS H H 72 8.400 8.400 7.944 0.456 18887 8869 1 15 . 1 1 73 73 GLU N N 73 122.670 122.670 118.656 4.014 18887 8870 1 15 . 1 1 73 73 GLU HA H 73 4.160 4.160 3.956 0.204 18887 8871 1 15 . 1 1 73 73 GLU C C 73 177.620 177.620 178.527 -0.907 18887 8872 1 15 . 1 1 73 73 GLU CA C 73 60.380 60.380 59.314 1.066 18887 8873 1 15 . 1 1 73 73 GLU CB C 73 28.660 28.660 29.442 -0.782 18887 8874 1 15 . 1 1 73 73 GLU H H 73 9.960 9.960 7.696 2.264 18887 8875 1 15 . 1 1 74 74 ARG N N 74 117.370 117.370 116.594 0.776 18887 8876 1 15 . 1 1 74 74 ARG HA H 74 3.770 3.770 4.145 -0.375 18887 8877 1 15 . 1 1 74 74 ARG C C 74 177.380 177.380 178.685 -1.305 18887 8878 1 15 . 1 1 74 74 ARG CA C 74 59.010 59.010 58.074 0.936 18887 8879 1 15 . 1 1 74 74 ARG CB C 74 32.720 32.720 29.822 2.898 18887 8880 1 15 . 1 1 74 74 ARG H H 74 6.830 6.830 7.438 -0.608 18887 8881 1 15 . 1 1 75 75 PHE N N 75 112.920 112.920 119.187 -6.267 18887 8882 1 15 . 1 1 75 75 PHE HA H 75 4.280 4.280 4.542 -0.262 18887 8883 1 15 . 1 1 75 75 PHE C C 75 174.870 174.870 177.318 -2.448 18887 8884 1 15 . 1 1 75 75 PHE CA C 75 57.370 57.370 58.332 -0.962 18887 8885 1 15 . 1 1 75 75 PHE CB C 75 39.380 39.380 37.964 1.416 18887 8886 1 15 . 1 1 75 75 PHE H H 75 7.670 7.670 7.268 0.402 18887 8887 1 15 . 1 1 76 76 ASP N N 76 121.780 121.780 121.313 0.467 18887 8888 1 15 . 1 1 76 76 ASP HA H 76 4.380 4.380 4.512 -0.132 18887 8889 1 15 . 1 1 76 76 ASP C C 76 177.380 177.380 177.609 -0.229 18887 8890 1 15 . 1 1 76 76 ASP CA C 76 57.700 57.700 56.654 1.046 18887 8891 1 15 . 1 1 76 76 ASP CB C 76 41.270 41.270 40.782 0.488 18887 8892 1 15 . 1 1 76 76 ASP H H 76 7.210 7.210 7.772 -0.562 18887 8893 1 15 . 1 1 77 77 GLY N N 77 111.910 111.910 106.819 5.091 18887 8894 1 15 . 1 1 77 77 GLY C C 77 174.310 174.310 174.291 0.019 18887 8895 1 15 . 1 1 77 77 GLY CA C 77 46.290 46.290 45.214 1.076 18887 8896 1 15 . 1 1 77 77 GLY H H 77 8.920 8.920 8.258 0.662 18887 8897 1 15 . 1 1 78 78 LYS N N 78 117.910 117.910 118.794 -0.884 18887 8898 1 15 . 1 1 78 78 LYS HA H 78 4.540 4.540 4.754 -0.214 18887 8899 1 15 . 1 1 78 78 LYS C C 78 175.910 175.910 175.139 0.771 18887 8900 1 15 . 1 1 78 78 LYS CA C 78 53.410 53.410 54.531 -1.121 18887 8901 1 15 . 1 1 78 78 LYS CB C 78 32.780 32.780 35.633 -2.853 18887 8902 1 15 . 1 1 78 78 LYS H H 78 7.700 7.700 7.509 0.191 18887 8903 1 15 . 1 1 79 79 VAL N N 79 124.500 124.500 120.906 3.594 18887 8904 1 15 . 1 1 79 79 VAL HA H 79 3.850 3.850 4.248 -0.398 18887 8905 1 15 . 1 1 79 79 VAL C C 79 174.140 174.140 174.346 -0.206 18887 8906 1 15 . 1 1 79 79 VAL CA C 79 64.810 64.810 61.532 3.278 18887 8907 1 15 . 1 1 79 79 VAL CB C 79 32.390 32.390 32.778 -0.388 18887 8908 1 15 . 1 1 79 79 VAL H H 79 8.890 8.890 8.566 0.324 18887 8909 1 15 . 1 1 80 80 VAL N N 80 125.810 125.810 128.389 -2.579 18887 8910 1 15 . 1 1 80 80 VAL HA H 80 4.690 4.690 4.808 -0.118 18887 8911 1 15 . 1 1 80 80 VAL C C 80 175.270 175.270 174.763 0.507 18887 8912 1 15 . 1 1 80 80 VAL CA C 80 60.670 60.670 60.625 0.045 18887 8913 1 15 . 1 1 80 80 VAL CB C 80 35.970 35.970 34.235 1.735 18887 8914 1 15 . 1 1 80 80 VAL H H 80 7.860 7.860 8.257 -0.397 18887 8915 1 15 . 1 1 81 81 LEU N N 81 110.550 110.550 128.506 -17.956 18887 8916 1 15 . 1 1 81 81 LEU HA H 81 4.490 4.490 4.839 -0.349 18887 8917 1 15 . 1 1 81 81 LEU C C 81 173.930 173.930 174.716 -0.786 18887 8918 1 15 . 1 1 81 81 LEU CA C 81 54.410 54.410 53.614 0.796 18887 8919 1 15 . 1 1 81 81 LEU CB C 81 45.100 45.100 44.863 0.237 18887 8920 1 15 . 1 1 81 81 LEU H H 81 8.790 8.790 9.243 -0.453 18887 8921 1 15 . 1 1 82 82 GLU N N 82 111.070 111.070 126.569 -15.499 18887 8922 1 15 . 1 1 82 82 GLU HA H 82 5.460 5.460 5.270 0.190 18887 8923 1 15 . 1 1 82 82 GLU C C 82 175.440 175.440 175.588 -0.148 18887 8924 1 15 . 1 1 82 82 GLU CA C 82 56.010 56.010 55.360 0.650 18887 8925 1 15 . 1 1 82 82 GLU CB C 82 32.100 32.100 31.948 0.152 18887 8926 1 15 . 1 1 82 82 GLU H H 82 8.750 8.750 8.702 0.048 18887 8927 1 15 . 1 1 83 83 VAL N N 83 119.980 119.980 117.150 2.830 18887 8928 1 15 . 1 1 83 83 VAL HA H 83 4.950 4.950 4.834 0.116 18887 8929 1 15 . 1 1 83 83 VAL C C 83 172.120 172.120 173.484 -1.364 18887 8930 1 15 . 1 1 83 83 VAL CA C 83 58.760 58.760 58.104 0.656 18887 8931 1 15 . 1 1 83 83 VAL CB C 83 34.570 34.570 34.185 0.385 18887 8932 1 15 . 1 1 83 83 VAL H H 83 9.390 9.390 9.096 0.294 18887 8933 1 15 . 1 1 84 84 PRO HA H 84 4.740 4.740 4.763 -0.023 18887 8934 1 15 . 1 1 84 84 PRO C C 84 178.300 178.300 178.152 0.148 18887 8935 1 15 . 1 1 84 84 PRO CA C 84 63.330 63.330 62.578 0.752 18887 8936 1 15 . 1 1 84 84 PRO CB C 84 33.430 33.430 32.500 0.930 18887 8937 1 15 . 1 1 85 85 VAL N N 85 122.390 122.390 122.209 0.181 18887 8938 1 15 . 1 1 85 85 VAL HA H 85 3.320 3.320 3.791 -0.471 18887 8939 1 15 . 1 1 85 85 VAL C C 85 174.190 174.190 176.612 -2.422 18887 8940 1 15 . 1 1 85 85 VAL CA C 85 66.540 66.540 65.134 1.406 18887 8941 1 15 . 1 1 85 85 VAL CB C 85 32.970 32.970 32.100 0.870 18887 8942 1 15 . 1 1 85 85 VAL H H 85 7.240 7.240 7.926 -0.686 18887 8943 1 15 . 1 1 86 86 SER N N 86 125.590 125.590 113.549 12.041 18887 8944 1 15 . 1 1 86 86 SER HA H 86 4.020 4.020 4.281 -0.261 18887 8945 1 15 . 1 1 86 86 SER C C 86 176.940 176.940 175.242 1.698 18887 8946 1 15 . 1 1 86 86 SER CA C 86 60.200 60.200 60.263 -0.063 18887 8947 1 15 . 1 1 86 86 SER CB C 86 64.060 64.060 63.232 0.828 18887 8948 1 15 . 1 1 86 86 SER H H 86 7.600 7.600 8.227 -0.627 18887 8949 1 15 . 1 1 87 87 ALA N N 87 125.200 125.200 124.634 0.566 18887 8950 1 15 . 1 1 87 87 ALA HA H 87 4.280 4.280 4.302 -0.022 18887 8951 1 15 . 1 1 87 87 ALA C C 87 177.370 177.370 176.065 1.305 18887 8952 1 15 . 1 1 87 87 ALA CA C 87 57.600 57.600 56.092 1.508 18887 8953 1 15 . 1 1 87 87 ALA CB C 87 16.620 16.620 16.671 -0.051 18887 8954 1 15 . 1 1 87 87 ALA H H 87 7.870 7.870 7.626 0.244 18887 8955 1 15 . 1 1 88 88 PRO HA H 88 4.000 4.000 4.270 -0.270 18887 8956 1 15 . 1 1 88 88 PRO C C 88 175.090 175.090 177.118 -2.028 18887 8957 1 15 . 1 1 88 88 PRO CA C 88 65.410 65.410 64.968 0.442 18887 8958 1 15 . 1 1 88 88 PRO CB C 88 32.130 32.130 31.042 1.088 18887 8959 1 15 . 1 1 89 89 ILE N N 89 114.700 114.700 115.176 -0.476 18887 8960 1 15 . 1 1 89 89 ILE HA H 89 3.310 3.310 3.831 -0.521 18887 8961 1 15 . 1 1 89 89 ILE C C 89 177.850 177.850 177.386 0.464 18887 8962 1 15 . 1 1 89 89 ILE CA C 89 66.320 66.320 64.055 2.265 18887 8963 1 15 . 1 1 89 89 ILE CB C 89 38.790 38.790 38.048 0.742 18887 8964 1 15 . 1 1 89 89 ILE H H 89 6.300 6.300 7.390 -1.090 18887 8965 1 15 . 1 1 90 90 LYS N N 90 118.530 118.530 117.603 0.927 18887 8966 1 15 . 1 1 90 90 LYS HA H 90 4.060 4.060 4.381 -0.321 18887 8967 1 15 . 1 1 90 90 LYS C C 90 177.390 177.390 178.284 -0.894 18887 8968 1 15 . 1 1 90 90 LYS CA C 90 59.710 59.710 57.484 2.226 18887 8969 1 15 . 1 1 90 90 LYS CB C 90 33.940 33.940 33.207 0.733 18887 8970 1 15 . 1 1 90 90 LYS H H 90 7.440 7.440 7.702 -0.262 18887 8971 1 15 . 1 1 91 91 ASP N N 91 114.670 114.670 122.588 -7.918 18887 8972 1 15 . 1 1 91 91 ASP HA H 91 4.530 4.530 4.827 -0.297 18887 8973 1 15 . 1 1 91 91 ASP C C 91 174.350 174.350 175.729 -1.379 18887 8974 1 15 . 1 1 91 91 ASP CA C 91 55.120 55.120 53.978 1.142 18887 8975 1 15 . 1 1 91 91 ASP CB C 91 41.530 41.530 39.008 2.522 18887 8976 1 15 . 1 1 91 91 ASP H H 91 7.700 7.700 8.393 -0.693 18887 8977 1 15 . 1 1 92 92 ALA N N 92 111.350 111.350 123.098 -11.748 18887 8978 1 15 . 1 1 92 92 ALA HA H 92 3.830 3.830 3.997 -0.167 18887 8979 1 15 . 1 1 92 92 ALA C C 92 169.330 169.330 179.053 -9.723 18887 8980 1 15 . 1 1 92 92 ALA CA C 92 57.220 57.220 55.653 1.567 18887 8981 1 15 . 1 1 92 92 ALA CB C 92 20.700 20.700 18.905 1.795 18887 8982 1 15 . 1 1 92 92 ALA H H 92 8.860 8.860 7.587 1.273 18887 8983 1 15 . 1 1 93 93 GLU N N 93 117.860 117.860 116.584 1.276 18887 8984 1 15 . 1 1 93 93 GLU HA H 93 3.860 3.860 4.033 -0.173 18887 8985 1 15 . 1 1 93 93 GLU C C 93 177.970 177.970 178.521 -0.551 18887 8986 1 15 . 1 1 93 93 GLU CA C 93 61.240 61.240 59.385 1.855 18887 8987 1 15 . 1 1 93 93 GLU CB C 93 30.570 30.570 29.067 1.503 18887 8988 1 15 . 1 1 93 93 GLU H H 93 8.520 8.520 8.831 -0.311 18887 8989 1 15 . 1 1 94 94 LYS N N 94 119.790 119.790 121.064 -1.274 18887 8990 1 15 . 1 1 94 94 LYS HA H 94 3.930 3.930 4.114 -0.184 18887 8991 1 15 . 1 1 94 94 LYS C C 94 169.840 169.840 178.479 -8.639 18887 8992 1 15 . 1 1 94 94 LYS CA C 94 60.600 60.600 59.206 1.394 18887 8993 1 15 . 1 1 94 94 LYS CB C 94 33.550 33.550 32.238 1.312 18887 8994 1 15 . 1 1 94 94 LYS H H 94 7.670 7.670 7.252 0.418 18887 8995 1 15 . 1 1 95 95 VAL N N 95 118.850 118.850 119.626 -0.776 18887 8996 1 15 . 1 1 95 95 VAL HA H 95 3.590 3.590 3.686 -0.096 18887 8997 1 15 . 1 1 95 95 VAL C C 95 176.620 176.620 178.220 -1.600 18887 8998 1 15 . 1 1 95 95 VAL CA C 95 67.220 67.220 66.358 0.862 18887 8999 1 15 . 1 1 95 95 VAL CB C 95 32.880 32.880 31.095 1.785 18887 9000 1 15 . 1 1 95 95 VAL H H 95 7.150 7.150 8.512 -1.362 18887 9001 1 15 . 1 1 96 96 ILE N N 96 119.120 119.120 120.272 -1.152 18887 9002 1 15 . 1 1 96 96 ILE HA H 96 3.380 3.380 3.524 -0.144 18887 9003 1 15 . 1 1 96 96 ILE C C 96 177.750 177.750 177.883 -0.133 18887 9004 1 15 . 1 1 96 96 ILE CA C 96 67.190 67.190 65.581 1.609 18887 9005 1 15 . 1 1 96 96 ILE CB C 96 38.440 38.440 37.322 1.119 18887 9006 1 15 . 1 1 96 96 ILE H H 96 8.380 8.380 7.450 0.930 18887 9007 1 15 . 1 1 97 97 ASN N N 97 117.000 117.000 118.203 -1.203 18887 9008 1 15 . 1 1 97 97 ASN HA H 97 4.420 4.420 4.392 0.028 18887 9009 1 15 . 1 1 97 97 ASN C C 97 178.380 178.380 177.724 0.656 18887 9010 1 15 . 1 1 97 97 ASN CA C 97 57.430 57.430 56.612 0.818 18887 9011 1 15 . 1 1 97 97 ASN CB C 97 39.030 39.030 38.439 0.591 18887 9012 1 15 . 1 1 97 97 ASN H H 97 8.730 8.730 7.929 0.801 18887 9013 1 15 . 1 1 98 98 ALA N N 98 123.790 123.790 122.579 1.211 18887 9014 1 15 . 1 1 98 98 ALA HA H 98 4.100 4.100 4.083 0.017 18887 9015 1 15 . 1 1 98 98 ALA C C 98 169.600 169.600 179.031 -9.431 18887 9016 1 15 . 1 1 98 98 ALA CA C 98 55.890 55.890 54.924 0.966 18887 9017 1 15 . 1 1 98 98 ALA CB C 98 18.850 18.850 18.225 0.625 18887 9018 1 15 . 1 1 98 98 ALA H H 98 7.950 7.950 8.176 -0.226 18887 9019 1 15 . 1 1 99 99 ALA N N 99 122.120 122.120 120.825 1.295 18887 9020 1 15 . 1 1 99 99 ALA HA H 99 3.930 3.930 3.995 -0.065 18887 9021 1 15 . 1 1 99 99 ALA C C 99 178.700 178.700 179.954 -1.254 18887 9022 1 15 . 1 1 99 99 ALA CA C 99 55.920 55.920 54.657 1.263 18887 9023 1 15 . 1 1 99 99 ALA CB C 99 18.960 18.960 18.558 0.401 18887 9024 1 15 . 1 1 99 99 ALA H H 99 7.930 7.930 7.457 0.473 18887 9025 1 15 . 1 1 100 100 LEU N N 100 115.870 115.870 119.030 -3.160 18887 9026 1 15 . 1 1 100 100 LEU HA H 100 3.900 3.900 4.056 -0.156 18887 9027 1 15 . 1 1 100 100 LEU C C 100 169.150 169.150 178.600 -9.450 18887 9028 1 15 . 1 1 100 100 LEU CA C 100 58.140 58.140 56.725 1.415 18887 9029 1 15 . 1 1 100 100 LEU CB C 100 41.730 41.730 40.431 1.299 18887 9030 1 15 . 1 1 100 100 LEU H H 100 8.220 8.220 8.012 0.208 18887 9031 1 15 . 1 1 101 101 ALA N N 101 120.410 120.410 121.953 -1.543 18887 9032 1 15 . 1 1 101 101 ALA HA H 101 4.100 4.100 4.233 -0.133 18887 9033 1 15 . 1 1 101 101 ALA C C 101 169.730 169.730 179.023 -9.293 18887 9034 1 15 . 1 1 101 101 ALA CA C 101 55.680 55.680 54.735 0.945 18887 9035 1 15 . 1 1 101 101 ALA CB C 101 18.860 18.860 18.392 0.468 18887 9036 1 15 . 1 1 101 101 ALA H H 101 7.970 7.970 7.986 -0.016 18887 9037 1 15 . 1 1 102 102 LEU N N 102 115.090 115.090 116.861 -1.771 18887 9038 1 15 . 1 1 102 102 LEU HA H 102 4.120 4.120 4.312 -0.192 18887 9039 1 15 . 1 1 102 102 LEU C C 102 169.060 169.060 177.886 -8.826 18887 9040 1 15 . 1 1 102 102 LEU CA C 102 57.870 57.870 55.903 1.968 18887 9041 1 15 . 1 1 102 102 LEU CB C 102 43.730 43.730 42.219 1.511 18887 9042 1 15 . 1 1 102 102 LEU H H 102 7.330 7.330 7.643 -0.313 18887 9043 1 15 . 1 1 103 103 ILE N N 103 110.170 110.170 111.206 -1.036 18887 9044 1 15 . 1 1 103 103 ILE HA H 103 4.430 4.430 4.274 0.156 18887 9045 1 15 . 1 1 103 103 ILE C C 103 176.670 176.670 176.511 0.159 18887 9046 1 15 . 1 1 103 103 ILE CA C 103 62.520 62.520 62.062 0.458 18887 9047 1 15 . 1 1 103 103 ILE CB C 103 40.020 40.020 40.528 -0.508 18887 9048 1 15 . 1 1 103 103 ILE H H 103 7.140 7.140 7.636 -0.496 18887 9049 1 15 . 1 1 104 104 ASP N N 104 122.560 122.560 120.189 2.371 18887 9050 1 15 . 1 1 104 104 ASP HA H 104 4.650 4.650 4.688 -0.038 18887 9051 1 15 . 1 1 104 104 ASP C C 104 176.670 176.670 176.257 0.413 18887 9052 1 15 . 1 1 104 104 ASP CA C 104 56.220 56.220 55.064 1.156 18887 9053 1 15 . 1 1 104 104 ASP CB C 104 42.080 42.080 43.627 -1.547 18887 9054 1 15 . 1 1 104 104 ASP H H 104 8.000 8.000 8.357 -0.357 18887 9055 1 15 . 1 1 105 105 GLU N N 105 120.750 120.750 115.746 5.004 18887 9056 1 15 . 1 1 105 105 GLU HA H 105 4.300 4.300 3.967 0.333 18887 9057 1 15 . 1 1 105 105 GLU C C 105 175.470 175.470 174.959 0.511 18887 9058 1 15 . 1 1 105 105 GLU CA C 105 57.640 57.640 57.976 -0.336 18887 9059 1 15 . 1 1 105 105 GLU CB C 105 30.870 30.870 28.154 2.716 18887 9060 1 15 . 1 1 105 105 GLU H H 105 8.030 8.030 8.552 -0.522 18887 9061 1 16 . 1 1 2 2 LYS N N 2 120.950 120.950 121.342 -0.392 18887 9062 1 16 . 1 1 2 2 LYS HA H 2 4.330 4.330 4.411 -0.081 18887 9063 1 16 . 1 1 2 2 LYS C C 2 176.040 176.040 176.612 -0.572 18887 9064 1 16 . 1 1 2 2 LYS CA C 2 57.850 57.850 56.543 1.307 18887 9065 1 16 . 1 1 2 2 LYS CB C 2 33.480 33.480 31.973 1.507 18887 9066 1 16 . 1 1 2 2 LYS H H 2 8.220 8.220 8.265 -0.045 18887 9067 1 16 . 1 1 3 3 ARG N N 3 120.340 120.340 124.449 -4.109 18887 9068 1 16 . 1 1 3 3 ARG HA H 3 4.660 4.660 4.521 0.139 18887 9069 1 16 . 1 1 3 3 ARG C C 3 175.960 175.960 175.309 0.651 18887 9070 1 16 . 1 1 3 3 ARG CA C 3 53.810 53.810 54.064 -0.254 18887 9071 1 16 . 1 1 3 3 ARG CB C 3 29.710 29.710 33.782 -4.072 18887 9072 1 16 . 1 1 3 3 ARG H H 3 8.220 8.220 9.135 -0.915 18887 9073 1 16 . 1 1 4 4 LYS N N 4 121.540 121.540 121.902 -0.362 18887 9074 1 16 . 1 1 4 4 LYS HA H 4 4.770 4.770 4.624 0.146 18887 9075 1 16 . 1 1 4 4 LYS C C 4 174.820 174.820 175.807 -0.987 18887 9076 1 16 . 1 1 4 4 LYS CA C 4 57.230 57.230 54.939 2.291 18887 9077 1 16 . 1 1 4 4 LYS CB C 4 33.800 33.800 31.868 1.932 18887 9078 1 16 . 1 1 4 4 LYS H H 4 8.880 8.880 8.114 0.766 18887 9079 1 16 . 1 1 5 5 ILE N N 5 125.030 125.030 126.998 -1.968 18887 9080 1 16 . 1 1 5 5 ILE HA H 5 4.530 4.530 4.968 -0.438 18887 9081 1 16 . 1 1 5 5 ILE C C 5 175.420 175.420 174.529 0.891 18887 9082 1 16 . 1 1 5 5 ILE CA C 5 61.120 61.120 60.147 0.973 18887 9083 1 16 . 1 1 5 5 ILE CB C 5 41.880 41.880 40.941 0.939 18887 9084 1 16 . 1 1 5 5 ILE H H 5 8.760 8.760 9.108 -0.348 18887 9085 1 16 . 1 1 6 6 ILE N N 6 119.270 119.270 123.066 -3.796 18887 9086 1 16 . 1 1 6 6 ILE HA H 6 5.440 5.440 5.223 0.217 18887 9087 1 16 . 1 1 6 6 ILE C C 6 173.880 173.880 173.897 -0.017 18887 9088 1 16 . 1 1 6 6 ILE CA C 6 60.480 60.480 58.217 2.263 18887 9089 1 16 . 1 1 6 6 ILE CB C 6 42.120 42.120 39.542 2.578 18887 9090 1 16 . 1 1 6 6 ILE H H 6 8.110 8.110 8.431 -0.321 18887 9091 1 16 . 1 1 7 7 ALA N N 7 122.330 122.330 128.613 -6.283 18887 9092 1 16 . 1 1 7 7 ALA HA H 7 5.780 5.780 5.294 0.486 18887 9093 1 16 . 1 1 7 7 ALA C C 7 173.950 173.950 175.146 -1.196 18887 9094 1 16 . 1 1 7 7 ALA CA C 7 51.280 51.280 50.073 1.207 18887 9095 1 16 . 1 1 7 7 ALA CB C 7 25.930 25.930 22.978 2.952 18887 9096 1 16 . 1 1 7 7 ALA H H 7 8.790 8.790 9.109 -0.319 18887 9097 1 16 . 1 1 8 8 VAL N N 8 119.860 119.860 121.757 -1.897 18887 9098 1 16 . 1 1 8 8 VAL HA H 8 5.190 5.190 4.375 0.815 18887 9099 1 16 . 1 1 8 8 VAL C C 8 175.590 175.590 174.803 0.787 18887 9100 1 16 . 1 1 8 8 VAL CA C 8 61.340 61.340 60.349 0.991 18887 9101 1 16 . 1 1 8 8 VAL CB C 8 36.650 36.650 33.840 2.810 18887 9102 1 16 . 1 1 8 8 VAL H H 8 8.950 8.950 8.506 0.444 18887 9103 1 16 . 1 1 9 9 THR N N 9 116.320 116.320 118.354 -2.034 18887 9104 1 16 . 1 1 9 9 THR HA H 9 5.500 5.500 5.402 0.098 18887 9105 1 16 . 1 1 9 9 THR C C 9 172.920 172.920 173.293 -0.373 18887 9106 1 16 . 1 1 9 9 THR CA C 9 59.470 59.470 59.228 0.242 18887 9107 1 16 . 1 1 9 9 THR CB C 9 71.510 71.510 70.259 1.251 18887 9108 1 16 . 1 1 9 9 THR H H 9 8.860 8.860 8.993 -0.133 18887 9109 1 16 . 1 1 10 10 ALA N N 10 121.780 121.780 127.871 -6.091 18887 9110 1 16 . 1 1 10 10 ALA HA H 10 4.800 4.800 5.034 -0.234 18887 9111 1 16 . 1 1 10 10 ALA C C 10 174.680 174.680 175.449 -0.769 18887 9112 1 16 . 1 1 10 10 ALA CA C 10 54.300 54.300 51.157 3.143 18887 9113 1 16 . 1 1 10 10 ALA CB C 10 22.940 22.940 23.317 -0.377 18887 9114 1 16 . 1 1 10 10 ALA H H 10 7.710 7.710 9.044 -1.334 18887 9115 1 16 . 1 1 11 11 CYS N N 11 121.780 121.780 119.424 2.356 18887 9116 1 16 . 1 1 11 11 CYS HA H 11 5.160 5.160 4.801 0.359 18887 9117 1 16 . 1 1 11 11 CYS C C 11 174.700 174.700 173.891 0.809 18887 9118 1 16 . 1 1 11 11 CYS CA C 11 57.150 57.150 57.602 -0.452 18887 9119 1 16 . 1 1 11 11 CYS CB C 11 30.830 30.830 31.106 -0.276 18887 9120 1 16 . 1 1 11 11 CYS H H 11 8.140 8.140 8.205 -0.065 18887 9121 1 16 . 1 1 12 12 ALA N N 12 113.900 113.900 129.271 -15.371 18887 9122 1 16 . 1 1 12 12 ALA HA H 12 4.220 4.220 4.700 -0.480 18887 9123 1 16 . 1 1 12 12 ALA C C 12 168.950 168.950 177.996 -9.046 18887 9124 1 16 . 1 1 12 12 ALA CA C 12 55.270 55.270 53.571 1.699 18887 9125 1 16 . 1 1 12 12 ALA CB C 12 20.320 20.320 19.994 0.326 18887 9126 1 16 . 1 1 12 12 ALA H H 12 10.630 10.630 9.571 1.059 18887 9127 1 16 . 1 1 13 13 THR N N 13 109.490 109.490 114.349 -4.859 18887 9128 1 16 . 1 1 13 13 THR HA H 13 4.390 4.390 4.319 0.071 18887 9129 1 16 . 1 1 13 13 THR C C 13 174.870 174.870 176.613 -1.743 18887 9130 1 16 . 1 1 13 13 THR CA C 13 62.910 62.910 64.704 -1.794 18887 9131 1 16 . 1 1 13 13 THR CB C 13 70.640 70.640 69.513 1.127 18887 9132 1 16 . 1 1 13 13 THR H H 13 8.180 8.180 8.151 0.029 18887 9133 1 16 . 1 1 14 14 GLY N N 14 111.450 111.450 111.665 -0.215 18887 9134 1 16 . 1 1 14 14 GLY C C 14 173.680 173.680 174.935 -1.255 18887 9135 1 16 . 1 1 14 14 GLY CA C 14 47.050 47.050 44.226 2.824 18887 9136 1 16 . 1 1 14 14 GLY H H 14 7.880 7.880 8.106 -0.226 18887 9137 1 16 . 1 1 15 15 VAL N N 15 119.530 119.530 123.357 -3.827 18887 9138 1 16 . 1 1 15 15 VAL HA H 15 4.110 4.110 3.621 0.489 18887 9139 1 16 . 1 1 15 15 VAL C C 15 176.860 176.860 178.160 -1.300 18887 9140 1 16 . 1 1 15 15 VAL CA C 15 64.740 64.740 65.407 -0.667 18887 9141 1 16 . 1 1 15 15 VAL CB C 15 33.690 33.690 31.315 2.375 18887 9142 1 16 . 1 1 15 15 VAL H H 15 8.250 8.250 7.877 0.373 18887 9143 1 16 . 1 1 16 16 ALA N N 16 123.230 123.230 121.439 1.791 18887 9144 1 16 . 1 1 16 16 ALA HA H 16 4.230 4.230 4.269 -0.039 18887 9145 1 16 . 1 1 16 16 ALA C C 16 170.610 170.610 179.623 -9.013 18887 9146 1 16 . 1 1 16 16 ALA CA C 16 56.280 56.280 54.728 1.552 18887 9147 1 16 . 1 1 16 16 ALA CB C 16 19.320 19.320 18.397 0.923 18887 9148 1 16 . 1 1 16 16 ALA H H 16 8.430 8.430 8.364 0.066 18887 9149 1 16 . 1 1 17 17 HIS HA H 17 4.380 4.380 4.266 0.114 18887 9150 1 16 . 1 1 17 17 HIS C C 17 177.260 177.260 177.704 -0.444 18887 9151 1 16 . 1 1 17 17 HIS CA C 17 60.060 60.060 58.554 1.506 18887 9152 1 16 . 1 1 17 17 HIS CB C 17 31.990 31.990 29.926 2.064 18887 9153 1 16 . 1 1 18 18 THR N N 18 115.830 115.830 116.407 -0.577 18887 9154 1 16 . 1 1 18 18 THR HA H 18 3.540 3.540 3.881 -0.341 18887 9155 1 16 . 1 1 18 18 THR C C 18 176.690 176.690 175.781 0.909 18887 9156 1 16 . 1 1 18 18 THR CA C 18 67.700 67.700 67.335 0.365 18887 9157 1 16 . 1 1 18 18 THR CB C 18 69.550 69.550 68.612 0.938 18887 9158 1 16 . 1 1 18 18 THR H H 18 7.590 7.590 7.801 -0.211 18887 9159 1 16 . 1 1 19 19 TYR N N 19 121.050 121.050 117.809 3.241 18887 9160 1 16 . 1 1 19 19 TYR HA H 19 4.340 4.340 4.463 -0.123 18887 9161 1 16 . 1 1 19 19 TYR C C 19 178.420 178.420 177.583 0.837 18887 9162 1 16 . 1 1 19 19 TYR CA C 19 61.220 61.220 60.232 0.988 18887 9163 1 16 . 1 1 19 19 TYR CB C 19 38.400 38.400 37.733 0.666 18887 9164 1 16 . 1 1 19 19 TYR H H 19 7.710 7.710 7.462 0.248 18887 9165 1 16 . 1 1 20 20 MET N N 20 120.220 120.220 120.462 -0.242 18887 9166 1 16 . 1 1 20 20 MET HA H 20 4.160 4.160 4.265 -0.105 18887 9167 1 16 . 1 1 20 20 MET C C 20 169.550 169.550 177.631 -8.081 18887 9168 1 16 . 1 1 20 20 MET CA C 20 60.050 60.050 56.323 3.727 18887 9169 1 16 . 1 1 20 20 MET CB C 20 34.410 34.410 32.461 1.949 18887 9170 1 16 . 1 1 20 20 MET H H 20 8.470 8.470 7.693 0.777 18887 9171 1 16 . 1 1 21 21 ALA N N 21 122.280 122.280 121.524 0.756 18887 9172 1 16 . 1 1 21 21 ALA HA H 21 3.870 3.870 3.998 -0.128 18887 9173 1 16 . 1 1 21 21 ALA C C 21 178.630 178.630 179.087 -0.457 18887 9174 1 16 . 1 1 21 21 ALA CA C 21 56.760 56.760 54.997 1.763 18887 9175 1 16 . 1 1 21 21 ALA CB C 21 19.690 19.690 17.987 1.703 18887 9176 1 16 . 1 1 21 21 ALA H H 21 8.490 8.490 8.476 0.014 18887 9177 1 16 . 1 1 22 22 ALA N N 22 120.240 120.240 120.338 -0.098 18887 9178 1 16 . 1 1 22 22 ALA HA H 22 3.900 3.900 3.853 0.047 18887 9179 1 16 . 1 1 22 22 ALA C C 22 169.200 169.200 179.693 -10.493 18887 9180 1 16 . 1 1 22 22 ALA CA C 22 56.880 56.880 55.258 1.622 18887 9181 1 16 . 1 1 22 22 ALA CB C 22 19.560 19.560 18.217 1.343 18887 9182 1 16 . 1 1 22 22 ALA H H 22 7.660 7.660 7.669 -0.009 18887 9183 1 16 . 1 1 23 23 GLN N N 23 116.680 116.680 117.507 -0.827 18887 9184 1 16 . 1 1 23 23 GLN HA H 23 3.940 3.940 4.178 -0.238 18887 9185 1 16 . 1 1 23 23 GLN C C 23 178.500 178.500 178.382 0.118 18887 9186 1 16 . 1 1 23 23 GLN CA C 23 59.550 59.550 57.865 1.685 18887 9187 1 16 . 1 1 23 23 GLN CB C 23 29.660 29.660 28.477 1.183 18887 9188 1 16 . 1 1 23 23 GLN H H 23 8.430 8.430 7.727 0.703 18887 9189 1 16 . 1 1 24 24 ALA N N 24 121.760 121.760 124.254 -2.494 18887 9190 1 16 . 1 1 24 24 ALA HA H 24 4.140 4.140 4.014 0.126 18887 9191 1 16 . 1 1 24 24 ALA C C 24 171.490 171.490 179.507 -8.017 18887 9192 1 16 . 1 1 24 24 ALA CA C 24 56.060 56.060 55.404 0.656 18887 9193 1 16 . 1 1 24 24 ALA CB C 24 19.760 19.760 18.354 1.406 18887 9194 1 16 . 1 1 24 24 ALA H H 24 8.130 8.130 8.395 -0.265 18887 9195 1 16 . 1 1 25 25 LEU N N 25 118.730 118.730 118.208 0.522 18887 9196 1 16 . 1 1 25 25 LEU HA H 25 3.850 3.850 3.851 -0.001 18887 9197 1 16 . 1 1 25 25 LEU C C 25 177.990 177.990 179.249 -1.259 18887 9198 1 16 . 1 1 25 25 LEU CA C 25 59.280 59.280 57.725 1.555 18887 9199 1 16 . 1 1 25 25 LEU CB C 25 43.190 43.190 41.519 1.671 18887 9200 1 16 . 1 1 25 25 LEU H H 25 8.030 8.030 8.438 -0.408 18887 9201 1 16 . 1 1 26 26 LYS N N 26 118.850 118.850 119.674 -0.824 18887 9202 1 16 . 1 1 26 26 LYS HA H 26 3.840 3.840 3.919 -0.079 18887 9203 1 16 . 1 1 26 26 LYS C C 26 169.460 169.460 178.988 -9.528 18887 9204 1 16 . 1 1 26 26 LYS CA C 26 61.420 61.420 59.988 1.432 18887 9205 1 16 . 1 1 26 26 LYS CB C 26 33.440 33.440 32.036 1.404 18887 9206 1 16 . 1 1 26 26 LYS H H 26 8.000 8.000 7.461 0.539 18887 9207 1 16 . 1 1 27 27 LYS N N 27 120.350 120.350 119.614 0.736 18887 9208 1 16 . 1 1 27 27 LYS HA H 27 3.990 3.990 4.047 -0.057 18887 9209 1 16 . 1 1 27 27 LYS C C 27 169.670 169.670 179.314 -9.644 18887 9210 1 16 . 1 1 27 27 LYS CA C 27 60.700 60.700 59.128 1.572 18887 9211 1 16 . 1 1 27 27 LYS CB C 27 33.620 33.620 31.980 1.639 18887 9212 1 16 . 1 1 27 27 LYS H H 27 8.350 8.350 8.266 0.084 18887 9213 1 16 . 1 1 28 28 GLY N N 28 125.170 125.170 106.151 19.019 18887 9214 1 16 . 1 1 28 28 GLY C C 28 174.520 174.520 175.697 -1.177 18887 9215 1 16 . 1 1 28 28 GLY CA C 28 47.870 47.870 46.913 0.957 18887 9216 1 16 . 1 1 28 28 GLY H H 28 8.410 8.410 8.250 0.160 18887 9217 1 16 . 1 1 29 29 ALA N N 29 122.370 122.370 124.800 -2.430 18887 9218 1 16 . 1 1 29 29 ALA HA H 29 3.820 3.820 4.117 -0.297 18887 9219 1 16 . 1 1 29 29 ALA C C 29 169.050 169.050 179.847 -10.797 18887 9220 1 16 . 1 1 29 29 ALA CA C 29 56.840 56.840 55.025 1.815 18887 9221 1 16 . 1 1 29 29 ALA CB C 29 18.800 18.800 18.495 0.304 18887 9222 1 16 . 1 1 29 29 ALA H H 29 8.280 8.280 8.224 0.056 18887 9223 1 16 . 1 1 30 30 LYS N N 30 117.490 117.490 117.892 -0.402 18887 9224 1 16 . 1 1 30 30 LYS HA H 30 4.130 4.130 4.173 -0.043 18887 9225 1 16 . 1 1 30 30 LYS C C 30 170.330 170.330 179.073 -8.743 18887 9226 1 16 . 1 1 30 30 LYS CA C 30 60.420 60.420 58.193 2.227 18887 9227 1 16 . 1 1 30 30 LYS CB C 30 33.230 33.230 32.129 1.101 18887 9228 1 16 . 1 1 30 30 LYS H H 30 7.720 7.720 8.453 -0.733 18887 9229 1 16 . 1 1 31 31 LYS N N 31 121.050 121.050 120.274 0.776 18887 9230 1 16 . 1 1 31 31 LYS HA H 31 4.020 4.020 4.090 -0.070 18887 9231 1 16 . 1 1 31 31 LYS C C 31 178.160 178.160 178.447 -0.287 18887 9232 1 16 . 1 1 31 31 LYS CA C 31 60.360 60.360 58.729 1.631 18887 9233 1 16 . 1 1 31 31 LYS CB C 31 33.380 33.380 32.159 1.221 18887 9234 1 16 . 1 1 31 31 LYS H H 31 7.930 7.930 7.778 0.152 18887 9235 1 16 . 1 1 32 32 MET N N 32 114.620 114.620 114.235 0.385 18887 9236 1 16 . 1 1 32 32 MET HA H 32 4.240 4.240 4.408 -0.168 18887 9237 1 16 . 1 1 32 32 MET C C 32 175.810 175.810 177.319 -1.509 18887 9238 1 16 . 1 1 32 32 MET CA C 32 57.400 57.400 55.769 1.631 18887 9239 1 16 . 1 1 32 32 MET CB C 32 37.710 37.710 33.363 4.347 18887 9240 1 16 . 1 1 32 32 MET H H 32 7.420 7.420 7.963 -0.543 18887 9241 1 16 . 1 1 33 33 GLY N N 33 124.900 124.900 107.226 17.674 18887 9242 1 16 . 1 1 33 33 GLY C C 33 174.340 174.340 172.869 1.471 18887 9243 1 16 . 1 1 33 33 GLY CA C 33 46.830 46.830 44.911 1.919 18887 9244 1 16 . 1 1 33 33 GLY H H 33 7.860 7.860 8.298 -0.438 18887 9245 1 16 . 1 1 34 34 ASN N N 34 116.070 116.070 117.055 -0.985 18887 9246 1 16 . 1 1 34 34 ASN HA H 34 5.210 5.210 5.607 -0.397 18887 9247 1 16 . 1 1 34 34 ASN C C 34 173.080 173.080 173.482 -0.402 18887 9248 1 16 . 1 1 34 34 ASN CA C 34 52.770 52.770 52.301 0.469 18887 9249 1 16 . 1 1 34 34 ASN CB C 34 42.880 42.880 42.565 0.315 18887 9250 1 16 . 1 1 34 34 ASN H H 34 8.160 8.160 8.143 0.017 18887 9251 1 16 . 1 1 35 35 LEU N N 35 121.450 121.450 121.675 -0.225 18887 9252 1 16 . 1 1 35 35 LEU HA H 35 4.620 4.620 4.880 -0.260 18887 9253 1 16 . 1 1 35 35 LEU C C 35 174.930 174.930 175.344 -0.414 18887 9254 1 16 . 1 1 35 35 LEU CA C 35 55.150 55.150 53.391 1.759 18887 9255 1 16 . 1 1 35 35 LEU CB C 35 44.760 44.760 42.422 2.338 18887 9256 1 16 . 1 1 35 35 LEU H H 35 8.770 8.770 8.566 0.204 18887 9257 1 16 . 1 1 36 36 ILE N N 36 119.690 119.690 123.645 -3.955 18887 9258 1 16 . 1 1 36 36 ILE HA H 36 5.660 5.660 5.154 0.506 18887 9259 1 16 . 1 1 36 36 ILE C C 36 172.620 172.620 174.907 -2.287 18887 9260 1 16 . 1 1 36 36 ILE CA C 36 59.410 59.410 59.285 0.125 18887 9261 1 16 . 1 1 36 36 ILE CB C 36 44.340 44.340 41.557 2.783 18887 9262 1 16 . 1 1 36 36 ILE H H 36 8.390 8.390 8.583 -0.193 18887 9263 1 16 . 1 1 37 37 LYS N N 37 126.230 126.230 129.153 -2.923 18887 9264 1 16 . 1 1 37 37 LYS HA H 37 4.590 4.590 4.756 -0.166 18887 9265 1 16 . 1 1 37 37 LYS C C 37 174.340 174.340 174.847 -0.507 18887 9266 1 16 . 1 1 37 37 LYS CA C 37 57.050 57.050 53.779 3.271 18887 9267 1 16 . 1 1 37 37 LYS CB C 37 36.860 36.860 32.851 4.009 18887 9268 1 16 . 1 1 37 37 LYS H H 37 7.210 7.210 8.807 -1.597 18887 9269 1 16 . 1 1 38 38 VAL N N 38 124.270 124.270 120.812 3.458 18887 9270 1 16 . 1 1 38 38 VAL HA H 38 4.920 4.920 5.281 -0.361 18887 9271 1 16 . 1 1 38 38 VAL C C 38 174.660 174.660 175.844 -1.184 18887 9272 1 16 . 1 1 38 38 VAL CA C 38 61.420 61.420 58.809 2.611 18887 9273 1 16 . 1 1 38 38 VAL CB C 38 35.020 35.020 33.239 1.781 18887 9274 1 16 . 1 1 38 38 VAL H H 38 8.760 8.760 8.525 0.235 18887 9275 1 16 . 1 1 39 39 GLU N N 39 114.800 114.800 125.130 -10.330 18887 9276 1 16 . 1 1 39 39 GLU HA H 39 5.020 5.020 4.665 0.355 18887 9277 1 16 . 1 1 39 39 GLU C C 39 175.680 175.680 175.767 -0.087 18887 9278 1 16 . 1 1 39 39 GLU CA C 39 55.680 55.680 54.283 1.397 18887 9279 1 16 . 1 1 39 39 GLU CB C 39 33.940 33.940 32.519 1.421 18887 9280 1 16 . 1 1 39 39 GLU H H 39 9.210 9.210 8.812 0.398 18887 9281 1 16 . 1 1 40 40 THR N N 40 115.120 115.120 120.096 -4.976 18887 9282 1 16 . 1 1 40 40 THR HA H 40 5.180 5.180 4.785 0.395 18887 9283 1 16 . 1 1 40 40 THR C C 40 174.200 174.200 173.974 0.226 18887 9284 1 16 . 1 1 40 40 THR CA C 40 59.710 59.710 60.730 -1.020 18887 9285 1 16 . 1 1 40 40 THR CB C 40 71.270 71.270 68.869 2.401 18887 9286 1 16 . 1 1 40 40 THR H H 40 8.500 8.500 8.531 -0.031 18887 9287 1 16 . 1 1 41 41 GLN N N 41 119.850 119.850 127.651 -7.801 18887 9288 1 16 . 1 1 41 41 GLN HA H 41 4.990 4.990 4.445 0.545 18887 9289 1 16 . 1 1 41 41 GLN C C 41 175.110 175.110 176.463 -1.353 18887 9290 1 16 . 1 1 41 41 GLN CA C 41 54.980 54.980 54.119 0.861 18887 9291 1 16 . 1 1 41 41 GLN CB C 41 29.780 29.780 28.304 1.476 18887 9292 1 16 . 1 1 41 41 GLN H H 41 8.470 8.470 8.945 -0.475 18887 9293 1 16 . 1 1 42 42 GLY N N 42 109.530 109.530 113.218 -3.688 18887 9294 1 16 . 1 1 42 42 GLY C C 42 174.750 174.750 173.301 1.449 18887 9295 1 16 . 1 1 42 42 GLY CA C 42 45.630 45.630 44.497 1.133 18887 9296 1 16 . 1 1 42 42 GLY H H 42 7.890 7.890 8.501 -0.611 18887 9297 1 16 . 1 1 43 43 ALA N N 43 123.850 123.850 124.863 -1.013 18887 9298 1 16 . 1 1 43 43 ALA HA H 43 4.170 4.170 3.989 0.181 18887 9299 1 16 . 1 1 43 43 ALA C C 43 169.490 169.490 177.525 -8.035 18887 9300 1 16 . 1 1 43 43 ALA CA C 43 56.170 56.170 52.597 3.573 18887 9301 1 16 . 1 1 43 43 ALA CB C 43 19.910 19.910 17.371 2.539 18887 9302 1 16 . 1 1 43 43 ALA H H 43 8.730 8.730 8.211 0.519 18887 9303 1 16 . 1 1 44 44 THR N N 44 122.380 122.380 111.183 11.197 18887 9304 1 16 . 1 1 44 44 THR HA H 44 4.390 4.390 3.838 0.552 18887 9305 1 16 . 1 1 44 44 THR C C 44 174.260 174.260 174.396 -0.136 18887 9306 1 16 . 1 1 44 44 THR CA C 44 62.190 62.190 64.751 -2.561 18887 9307 1 16 . 1 1 44 44 THR CB C 44 70.080 70.080 68.373 1.707 18887 9308 1 16 . 1 1 44 44 THR H H 44 7.950 7.950 8.846 -0.896 18887 9309 1 16 . 1 1 45 45 GLY N N 45 109.360 109.360 109.403 -0.043 18887 9310 1 16 . 1 1 45 45 GLY C C 45 172.380 172.380 172.604 -0.224 18887 9311 1 16 . 1 1 45 45 GLY CA C 45 45.510 45.510 44.233 1.277 18887 9312 1 16 . 1 1 45 45 GLY H H 45 7.560 7.560 7.786 -0.226 18887 9313 1 16 . 1 1 46 46 ILE N N 46 122.050 122.050 126.177 -4.127 18887 9314 1 16 . 1 1 46 46 ILE HA H 46 4.780 4.780 4.393 0.387 18887 9315 1 16 . 1 1 46 46 ILE C C 46 176.010 176.010 175.904 0.106 18887 9316 1 16 . 1 1 46 46 ILE CA C 46 61.950 61.950 61.589 0.361 18887 9317 1 16 . 1 1 46 46 ILE CB C 46 40.810 40.810 38.470 2.340 18887 9318 1 16 . 1 1 46 46 ILE H H 46 8.480 8.480 8.351 0.129 18887 9319 1 16 . 1 1 47 47 GLU N N 47 109.160 109.160 126.739 -17.579 18887 9320 1 16 . 1 1 47 47 GLU HA H 47 4.660 4.660 4.367 0.293 18887 9321 1 16 . 1 1 47 47 GLU C C 47 174.750 174.750 177.258 -2.508 18887 9322 1 16 . 1 1 47 47 GLU CA C 47 55.940 55.940 57.494 -1.554 18887 9323 1 16 . 1 1 47 47 GLU CB C 47 33.640 33.640 30.548 3.092 18887 9324 1 16 . 1 1 47 47 GLU H H 47 9.000 9.000 8.624 0.376 18887 9325 1 16 . 1 1 48 48 ASN N N 48 120.510 120.510 117.933 2.577 18887 9326 1 16 . 1 1 48 48 ASN HA H 48 4.230 4.230 4.670 -0.440 18887 9327 1 16 . 1 1 48 48 ASN C C 48 173.090 173.090 174.317 -1.227 18887 9328 1 16 . 1 1 48 48 ASN CA C 48 54.770 54.770 54.111 0.659 18887 9329 1 16 . 1 1 48 48 ASN CB C 48 38.800 38.800 39.203 -0.404 18887 9330 1 16 . 1 1 48 48 ASN H H 48 8.930 8.930 8.143 0.787 18887 9331 1 16 . 1 1 49 49 GLU N N 49 114.160 114.160 118.218 -4.058 18887 9332 1 16 . 1 1 49 49 GLU HA H 49 3.890 3.890 4.222 -0.332 18887 9333 1 16 . 1 1 49 49 GLU C C 49 177.780 177.780 175.235 2.545 18887 9334 1 16 . 1 1 49 49 GLU CA C 49 57.870 57.870 56.715 1.155 18887 9335 1 16 . 1 1 49 49 GLU CB C 49 31.900 31.900 28.619 3.281 18887 9336 1 16 . 1 1 49 49 GLU H H 49 7.690 7.690 8.136 -0.446 18887 9337 1 16 . 1 1 50 50 LEU N N 50 109.440 109.440 126.662 -17.222 18887 9338 1 16 . 1 1 50 50 LEU HA H 50 4.680 4.680 4.594 0.086 18887 9339 1 16 . 1 1 50 50 LEU C C 50 177.490 177.490 177.159 0.331 18887 9340 1 16 . 1 1 50 50 LEU CA C 50 55.520 55.520 54.457 1.063 18887 9341 1 16 . 1 1 50 50 LEU CB C 50 43.440 43.440 43.147 0.293 18887 9342 1 16 . 1 1 50 50 LEU H H 50 9.560 9.560 9.271 0.289 18887 9343 1 16 . 1 1 51 51 THR N N 51 117.490 117.490 113.379 4.111 18887 9344 1 16 . 1 1 51 51 THR HA H 51 4.420 4.420 4.356 0.064 18887 9345 1 16 . 1 1 51 51 THR C C 51 175.010 175.010 175.401 -0.391 18887 9346 1 16 . 1 1 51 51 THR CA C 51 61.230 61.230 59.955 1.276 18887 9347 1 16 . 1 1 51 51 THR CB C 51 72.860 72.860 70.946 1.914 18887 9348 1 16 . 1 1 51 51 THR H H 51 9.380 9.380 8.270 1.110 18887 9349 1 16 . 1 1 52 52 GLU N N 52 120.490 120.490 124.063 -3.573 18887 9350 1 16 . 1 1 52 52 GLU HA H 52 3.860 3.860 3.747 0.113 18887 9351 1 16 . 1 1 52 52 GLU C C 52 178.660 178.660 178.313 0.347 18887 9352 1 16 . 1 1 52 52 GLU CA C 52 61.130 61.130 60.948 0.182 18887 9353 1 16 . 1 1 52 52 GLU CB C 52 30.280 30.280 29.452 0.828 18887 9354 1 16 . 1 1 52 52 GLU H H 52 8.910 8.910 8.996 -0.086 18887 9355 1 16 . 1 1 53 53 LYS N N 53 118.660 118.660 117.605 1.055 18887 9356 1 16 . 1 1 53 53 LYS HA H 53 4.020 4.020 4.023 -0.003 18887 9357 1 16 . 1 1 53 53 LYS C C 53 178.190 178.190 178.827 -0.637 18887 9358 1 16 . 1 1 53 53 LYS CA C 53 60.390 60.390 59.307 1.083 18887 9359 1 16 . 1 1 53 53 LYS CB C 53 33.210 33.210 32.103 1.107 18887 9360 1 16 . 1 1 53 53 LYS H H 53 7.890 7.890 8.096 -0.206 18887 9361 1 16 . 1 1 54 54 ASP N N 54 118.400 118.400 119.365 -0.965 18887 9362 1 16 . 1 1 54 54 ASP HA H 54 4.200 4.200 4.464 -0.264 18887 9363 1 16 . 1 1 54 54 ASP C C 54 169.070 169.070 178.688 -9.618 18887 9364 1 16 . 1 1 54 54 ASP CA C 54 58.300 58.300 56.996 1.304 18887 9365 1 16 . 1 1 54 54 ASP CB C 54 43.110 43.110 40.810 2.300 18887 9366 1 16 . 1 1 54 54 ASP H H 54 7.440 7.440 7.539 -0.099 18887 9367 1 16 . 1 1 55 55 VAL N N 55 118.420 118.420 118.811 -0.391 18887 9368 1 16 . 1 1 55 55 VAL HA H 55 3.520 3.520 3.748 -0.228 18887 9369 1 16 . 1 1 55 55 VAL C C 55 176.980 176.980 176.961 0.019 18887 9370 1 16 . 1 1 55 55 VAL CA C 55 66.950 66.950 66.393 0.557 18887 9371 1 16 . 1 1 55 55 VAL CB C 55 32.360 32.360 31.675 0.684 18887 9372 1 16 . 1 1 55 55 VAL H H 55 8.150 8.150 8.340 -0.190 18887 9373 1 16 . 1 1 56 56 ASN N N 56 117.100 117.100 115.222 1.878 18887 9374 1 16 . 1 1 56 56 ASN HA H 56 4.410 4.410 4.510 -0.100 18887 9375 1 16 . 1 1 56 56 ASN C C 56 177.330 177.330 176.463 0.867 18887 9376 1 16 . 1 1 56 56 ASN CA C 56 57.170 57.170 54.916 2.254 18887 9377 1 16 . 1 1 56 56 ASN CB C 56 39.930 39.930 38.854 1.076 18887 9378 1 16 . 1 1 56 56 ASN H H 56 8.000 8.000 7.759 0.241 18887 9379 1 16 . 1 1 57 57 ILE N N 57 115.580 115.580 117.359 -1.779 18887 9380 1 16 . 1 1 57 57 ILE HA H 57 3.950 3.950 4.022 -0.072 18887 9381 1 16 . 1 1 57 57 ILE C C 57 176.980 176.980 177.062 -0.082 18887 9382 1 16 . 1 1 57 57 ILE CA C 57 63.240 63.240 61.980 1.260 18887 9383 1 16 . 1 1 57 57 ILE CB C 57 39.890 39.890 38.052 1.838 18887 9384 1 16 . 1 1 57 57 ILE H H 57 7.600 7.600 7.088 0.512 18887 9385 1 16 . 1 1 58 58 GLY N N 58 124.080 124.080 105.985 18.095 18887 9386 1 16 . 1 1 58 58 GLY C C 58 173.190 173.190 173.243 -0.053 18887 9387 1 16 . 1 1 58 58 GLY CA C 58 47.110 47.110 44.689 2.421 18887 9388 1 16 . 1 1 58 58 GLY H H 58 7.630 7.630 7.545 0.085 18887 9389 1 16 . 1 1 59 59 GLU N N 59 123.240 123.240 120.351 2.889 18887 9390 1 16 . 1 1 59 59 GLU HA H 59 4.240 4.240 4.455 -0.215 18887 9391 1 16 . 1 1 59 59 GLU C C 59 176.750 176.750 176.424 0.326 18887 9392 1 16 . 1 1 59 59 GLU CA C 59 59.830 59.830 57.673 2.157 18887 9393 1 16 . 1 1 59 59 GLU CB C 59 33.100 33.100 31.820 1.280 18887 9394 1 16 . 1 1 59 59 GLU H H 59 9.350 9.350 8.717 0.633 18887 9395 1 16 . 1 1 60 60 VAL N N 60 114.370 114.370 114.996 -0.626 18887 9396 1 16 . 1 1 60 60 VAL HA H 60 4.410 4.410 4.395 0.015 18887 9397 1 16 . 1 1 60 60 VAL C C 60 170.270 170.270 174.210 -3.940 18887 9398 1 16 . 1 1 60 60 VAL CA C 60 60.710 60.710 61.221 -0.511 18887 9399 1 16 . 1 1 60 60 VAL CB C 60 35.150 35.150 33.346 1.804 18887 9400 1 16 . 1 1 60 60 VAL H H 60 7.640 7.640 7.380 0.260 18887 9401 1 16 . 1 1 61 61 VAL N N 61 125.780 125.780 124.513 1.267 18887 9402 1 16 . 1 1 61 61 VAL HA H 61 4.970 4.970 5.249 -0.279 18887 9403 1 16 . 1 1 61 61 VAL C C 61 174.450 174.450 175.451 -1.001 18887 9404 1 16 . 1 1 61 61 VAL CA C 61 60.260 60.260 60.400 -0.140 18887 9405 1 16 . 1 1 61 61 VAL CB C 61 34.710 34.710 33.737 0.973 18887 9406 1 16 . 1 1 61 61 VAL H H 61 8.290 8.290 8.676 -0.386 18887 9407 1 16 . 1 1 62 62 ILE N N 62 124.740 124.740 126.685 -1.945 18887 9408 1 16 . 1 1 62 62 ILE HA H 62 4.820 4.820 4.710 0.110 18887 9409 1 16 . 1 1 62 62 ILE C C 62 175.020 175.020 174.466 0.554 18887 9410 1 16 . 1 1 62 62 ILE CA C 62 60.490 60.490 60.147 0.343 18887 9411 1 16 . 1 1 62 62 ILE CB C 62 42.560 42.560 40.176 2.384 18887 9412 1 16 . 1 1 62 62 ILE H H 62 8.580 8.580 8.895 -0.315 18887 9413 1 16 . 1 1 63 63 PHE N N 63 109.510 109.510 127.378 -17.868 18887 9414 1 16 . 1 1 63 63 PHE HA H 63 5.490 5.490 5.023 0.467 18887 9415 1 16 . 1 1 63 63 PHE C C 63 173.600 173.600 173.784 -0.184 18887 9416 1 16 . 1 1 63 63 PHE CA C 63 53.020 53.020 56.176 -3.156 18887 9417 1 16 . 1 1 63 63 PHE CB C 63 40.150 40.150 42.272 -2.122 18887 9418 1 16 . 1 1 63 63 PHE H H 63 9.320 9.320 9.300 0.020 18887 9419 1 16 . 1 1 64 64 ALA N N 64 112.790 112.790 129.575 -16.785 18887 9420 1 16 . 1 1 64 64 ALA HA H 64 5.430 5.430 5.696 -0.266 18887 9421 1 16 . 1 1 64 64 ALA C C 64 175.040 175.040 175.552 -0.512 18887 9422 1 16 . 1 1 64 64 ALA CA C 64 50.740 50.740 49.887 0.853 18887 9423 1 16 . 1 1 64 64 ALA CB C 64 19.690 19.690 20.161 -0.471 18887 9424 1 16 . 1 1 64 64 ALA H H 64 8.840 8.840 9.086 -0.246 18887 9425 1 16 . 1 1 65 65 VAL N N 65 110.260 110.260 118.923 -8.663 18887 9426 1 16 . 1 1 65 65 VAL HA H 65 5.690 5.690 5.213 0.477 18887 9427 1 16 . 1 1 65 65 VAL C C 65 175.380 175.380 174.241 1.139 18887 9428 1 16 . 1 1 65 65 VAL CA C 65 59.060 59.060 59.632 -0.571 18887 9429 1 16 . 1 1 65 65 VAL CB C 65 38.800 38.800 35.154 3.646 18887 9430 1 16 . 1 1 65 65 VAL H H 65 8.080 8.080 7.611 0.469 18887 9431 1 16 . 1 1 66 66 ASP N N 66 119.250 119.250 123.759 -4.509 18887 9432 1 16 . 1 1 66 66 ASP HA H 66 4.870 4.870 4.770 0.100 18887 9433 1 16 . 1 1 66 66 ASP C C 66 175.600 175.600 175.354 0.246 18887 9434 1 16 . 1 1 66 66 ASP CA C 66 53.780 53.780 53.973 -0.193 18887 9435 1 16 . 1 1 66 66 ASP CB C 66 42.910 42.910 42.484 0.426 18887 9436 1 16 . 1 1 66 66 ASP H H 66 7.760 7.760 8.771 -1.011 18887 9437 1 16 . 1 1 67 67 THR N N 67 112.330 112.330 111.343 0.987 18887 9438 1 16 . 1 1 67 67 THR HA H 67 4.510 4.510 4.434 0.076 18887 9439 1 16 . 1 1 67 67 THR C C 67 172.370 172.370 173.086 -0.716 18887 9440 1 16 . 1 1 67 67 THR CA C 67 59.650 59.650 59.568 0.082 18887 9441 1 16 . 1 1 67 67 THR CB C 67 70.230 70.230 70.146 0.084 18887 9442 1 16 . 1 1 67 67 THR H H 67 7.070 7.070 7.328 -0.258 18887 9443 1 16 . 1 1 68 68 LYS N N 68 121.380 121.380 123.828 -2.448 18887 9444 1 16 . 1 1 68 68 LYS HA H 68 4.080 4.080 4.309 -0.229 18887 9445 1 16 . 1 1 68 68 LYS C C 68 176.250 176.250 174.685 1.565 18887 9446 1 16 . 1 1 68 68 LYS CA C 68 57.470 57.470 57.021 0.449 18887 9447 1 16 . 1 1 68 68 LYS CB C 68 34.020 34.020 33.052 0.968 18887 9448 1 16 . 1 1 68 68 LYS H H 68 7.540 7.540 8.303 -0.763 18887 9449 1 16 . 1 1 69 69 VAL N N 69 125.310 125.310 124.578 0.732 18887 9450 1 16 . 1 1 69 69 VAL HA H 69 3.320 3.320 4.260 -0.940 18887 9451 1 16 . 1 1 69 69 VAL C C 69 175.890 175.890 175.676 0.214 18887 9452 1 16 . 1 1 69 69 VAL CA C 69 64.110 64.110 61.618 2.492 18887 9453 1 16 . 1 1 69 69 VAL CB C 69 33.810 33.810 33.248 0.562 18887 9454 1 16 . 1 1 69 69 VAL H H 69 8.320 8.320 8.477 -0.157 18887 9455 1 16 . 1 1 70 70 ARG N N 70 111.240 111.240 125.375 -14.135 18887 9456 1 16 . 1 1 70 70 ARG HA H 70 4.160 4.160 4.343 -0.183 18887 9457 1 16 . 1 1 70 70 ARG C C 70 177.030 177.030 177.840 -0.810 18887 9458 1 16 . 1 1 70 70 ARG CA C 70 57.630 57.630 58.801 -1.171 18887 9459 1 16 . 1 1 70 70 ARG CB C 70 31.440 31.440 30.613 0.828 18887 9460 1 16 . 1 1 70 70 ARG H H 70 9.580 9.580 8.830 0.750 18887 9461 1 16 . 1 1 71 71 ASN N N 71 120.660 120.660 117.685 2.975 18887 9462 1 16 . 1 1 71 71 ASN HA H 71 4.670 4.670 4.680 -0.010 18887 9463 1 16 . 1 1 71 71 ASN C C 71 177.530 177.530 176.743 0.787 18887 9464 1 16 . 1 1 71 71 ASN CA C 71 54.770 54.770 53.991 0.779 18887 9465 1 16 . 1 1 71 71 ASN CB C 71 37.130 37.130 37.983 -0.853 18887 9466 1 16 . 1 1 71 71 ASN H H 71 9.170 9.170 8.611 0.559 18887 9467 1 16 . 1 1 72 72 LYS N N 72 120.730 120.730 122.160 -1.430 18887 9468 1 16 . 1 1 72 72 LYS HA H 72 4.010 4.010 4.691 -0.681 18887 9469 1 16 . 1 1 72 72 LYS C C 72 177.790 177.790 178.475 -0.685 18887 9470 1 16 . 1 1 72 72 LYS CA C 72 59.910 59.910 59.739 0.171 18887 9471 1 16 . 1 1 72 72 LYS CB C 72 33.260 33.260 32.294 0.966 18887 9472 1 16 . 1 1 72 72 LYS H H 72 8.400 8.400 8.370 0.030 18887 9473 1 16 . 1 1 73 73 GLU N N 73 122.670 122.670 117.973 4.697 18887 9474 1 16 . 1 1 73 73 GLU HA H 73 4.160 4.160 4.073 0.087 18887 9475 1 16 . 1 1 73 73 GLU C C 73 177.620 177.620 179.037 -1.417 18887 9476 1 16 . 1 1 73 73 GLU CA C 73 60.380 60.380 59.015 1.365 18887 9477 1 16 . 1 1 73 73 GLU CB C 73 28.660 28.660 29.142 -0.482 18887 9478 1 16 . 1 1 73 73 GLU H H 73 9.960 9.960 8.030 1.930 18887 9479 1 16 . 1 1 74 74 ARG N N 74 117.370 117.370 117.545 -0.175 18887 9480 1 16 . 1 1 74 74 ARG HA H 74 3.770 3.770 4.178 -0.408 18887 9481 1 16 . 1 1 74 74 ARG C C 74 177.380 177.380 176.939 0.441 18887 9482 1 16 . 1 1 74 74 ARG CA C 74 59.010 59.010 57.615 1.395 18887 9483 1 16 . 1 1 74 74 ARG CB C 74 32.720 32.720 29.659 3.061 18887 9484 1 16 . 1 1 74 74 ARG H H 74 6.830 6.830 7.769 -0.939 18887 9485 1 16 . 1 1 75 75 PHE N N 75 112.920 112.920 117.943 -5.023 18887 9486 1 16 . 1 1 75 75 PHE HA H 75 4.280 4.280 4.656 -0.376 18887 9487 1 16 . 1 1 75 75 PHE C C 75 174.870 174.870 174.920 -0.050 18887 9488 1 16 . 1 1 75 75 PHE CA C 75 57.370 57.370 58.865 -1.495 18887 9489 1 16 . 1 1 75 75 PHE CB C 75 39.380 39.380 39.217 0.163 18887 9490 1 16 . 1 1 75 75 PHE H H 75 7.670 7.670 7.881 -0.211 18887 9491 1 16 . 1 1 76 76 ASP N N 76 121.780 121.780 119.890 1.890 18887 9492 1 16 . 1 1 76 76 ASP HA H 76 4.380 4.380 4.686 -0.306 18887 9493 1 16 . 1 1 76 76 ASP C C 76 177.380 177.380 177.132 0.248 18887 9494 1 16 . 1 1 76 76 ASP CA C 76 57.700 57.700 55.740 1.960 18887 9495 1 16 . 1 1 76 76 ASP CB C 76 41.270 41.270 42.412 -1.142 18887 9496 1 16 . 1 1 76 76 ASP H H 76 7.210 7.210 7.435 -0.225 18887 9497 1 16 . 1 1 77 77 GLY N N 77 111.910 111.910 110.279 1.631 18887 9498 1 16 . 1 1 77 77 GLY C C 77 174.310 174.310 173.874 0.436 18887 9499 1 16 . 1 1 77 77 GLY CA C 77 46.290 46.290 45.622 0.668 18887 9500 1 16 . 1 1 77 77 GLY H H 77 8.920 8.920 8.767 0.153 18887 9501 1 16 . 1 1 78 78 LYS N N 78 117.910 117.910 118.686 -0.776 18887 9502 1 16 . 1 1 78 78 LYS HA H 78 4.540 4.540 4.837 -0.297 18887 9503 1 16 . 1 1 78 78 LYS C C 78 175.910 175.910 175.129 0.781 18887 9504 1 16 . 1 1 78 78 LYS CA C 78 53.410 53.410 55.029 -1.619 18887 9505 1 16 . 1 1 78 78 LYS CB C 78 32.780 32.780 35.451 -2.671 18887 9506 1 16 . 1 1 78 78 LYS H H 78 7.700 7.700 7.642 0.058 18887 9507 1 16 . 1 1 79 79 VAL N N 79 124.500 124.500 122.576 1.924 18887 9508 1 16 . 1 1 79 79 VAL HA H 79 3.850 3.850 4.390 -0.540 18887 9509 1 16 . 1 1 79 79 VAL C C 79 174.140 174.140 174.195 -0.055 18887 9510 1 16 . 1 1 79 79 VAL CA C 79 64.810 64.810 60.969 3.841 18887 9511 1 16 . 1 1 79 79 VAL CB C 79 32.390 32.390 32.588 -0.198 18887 9512 1 16 . 1 1 79 79 VAL H H 79 8.890 8.890 8.630 0.260 18887 9513 1 16 . 1 1 80 80 VAL N N 80 125.810 125.810 129.175 -3.365 18887 9514 1 16 . 1 1 80 80 VAL HA H 80 4.690 4.690 4.620 0.070 18887 9515 1 16 . 1 1 80 80 VAL C C 80 175.270 175.270 175.029 0.241 18887 9516 1 16 . 1 1 80 80 VAL CA C 80 60.670 60.670 60.984 -0.314 18887 9517 1 16 . 1 1 80 80 VAL CB C 80 35.970 35.970 32.775 3.195 18887 9518 1 16 . 1 1 80 80 VAL H H 80 7.860 7.860 8.526 -0.666 18887 9519 1 16 . 1 1 81 81 LEU N N 81 110.550 110.550 130.516 -19.966 18887 9520 1 16 . 1 1 81 81 LEU HA H 81 4.490 4.490 4.691 -0.201 18887 9521 1 16 . 1 1 81 81 LEU C C 81 173.930 173.930 174.891 -0.961 18887 9522 1 16 . 1 1 81 81 LEU CA C 81 54.410 54.410 53.661 0.749 18887 9523 1 16 . 1 1 81 81 LEU CB C 81 45.100 45.100 42.075 3.025 18887 9524 1 16 . 1 1 81 81 LEU H H 81 8.790 8.790 9.227 -0.437 18887 9525 1 16 . 1 1 82 82 GLU N N 82 111.070 111.070 128.497 -17.427 18887 9526 1 16 . 1 1 82 82 GLU HA H 82 5.460 5.460 5.360 0.100 18887 9527 1 16 . 1 1 82 82 GLU C C 82 175.440 175.440 175.407 0.033 18887 9528 1 16 . 1 1 82 82 GLU CA C 82 56.010 56.010 55.141 0.869 18887 9529 1 16 . 1 1 82 82 GLU CB C 82 32.100 32.100 31.535 0.565 18887 9530 1 16 . 1 1 82 82 GLU H H 82 8.750 8.750 8.642 0.108 18887 9531 1 16 . 1 1 83 83 VAL N N 83 119.980 119.980 121.395 -1.415 18887 9532 1 16 . 1 1 83 83 VAL HA H 83 4.950 4.950 4.716 0.234 18887 9533 1 16 . 1 1 83 83 VAL C C 83 172.120 172.120 173.285 -1.165 18887 9534 1 16 . 1 1 83 83 VAL CA C 83 58.760 58.760 58.175 0.585 18887 9535 1 16 . 1 1 83 83 VAL CB C 83 34.570 34.570 33.613 0.957 18887 9536 1 16 . 1 1 83 83 VAL H H 83 9.390 9.390 8.971 0.419 18887 9537 1 16 . 1 1 84 84 PRO HA H 84 4.740 4.740 4.499 0.241 18887 9538 1 16 . 1 1 84 84 PRO C C 84 178.300 178.300 178.272 0.028 18887 9539 1 16 . 1 1 84 84 PRO CA C 84 63.330 63.330 62.806 0.524 18887 9540 1 16 . 1 1 84 84 PRO CB C 84 33.430 33.430 32.233 1.197 18887 9541 1 16 . 1 1 85 85 VAL N N 85 122.390 122.390 122.740 -0.350 18887 9542 1 16 . 1 1 85 85 VAL HA H 85 3.320 3.320 3.755 -0.435 18887 9543 1 16 . 1 1 85 85 VAL C C 85 174.190 174.190 176.308 -2.118 18887 9544 1 16 . 1 1 85 85 VAL CA C 85 66.540 66.540 64.674 1.866 18887 9545 1 16 . 1 1 85 85 VAL CB C 85 32.970 32.970 32.169 0.802 18887 9546 1 16 . 1 1 85 85 VAL H H 85 7.240 7.240 8.562 -1.322 18887 9547 1 16 . 1 1 86 86 SER N N 86 125.590 125.590 112.720 12.870 18887 9548 1 16 . 1 1 86 86 SER HA H 86 4.020 4.020 4.280 -0.260 18887 9549 1 16 . 1 1 86 86 SER C C 86 176.940 176.940 175.447 1.493 18887 9550 1 16 . 1 1 86 86 SER CA C 86 60.200 60.200 60.160 0.040 18887 9551 1 16 . 1 1 86 86 SER CB C 86 64.060 64.060 63.315 0.745 18887 9552 1 16 . 1 1 86 86 SER H H 86 7.600 7.600 8.115 -0.515 18887 9553 1 16 . 1 1 87 87 ALA N N 87 125.200 125.200 124.026 1.174 18887 9554 1 16 . 1 1 87 87 ALA HA H 87 4.280 4.280 4.369 -0.089 18887 9555 1 16 . 1 1 87 87 ALA C C 87 177.370 177.370 175.967 1.403 18887 9556 1 16 . 1 1 87 87 ALA CA C 87 57.600 57.600 55.781 1.819 18887 9557 1 16 . 1 1 87 87 ALA CB C 87 16.620 16.620 16.910 -0.290 18887 9558 1 16 . 1 1 87 87 ALA H H 87 7.870 7.870 7.706 0.164 18887 9559 1 16 . 1 1 88 88 PRO HA H 88 4.000 4.000 4.342 -0.342 18887 9560 1 16 . 1 1 88 88 PRO C C 88 175.090 175.090 176.494 -1.404 18887 9561 1 16 . 1 1 88 88 PRO CA C 88 65.410 65.410 64.485 0.925 18887 9562 1 16 . 1 1 88 88 PRO CB C 88 32.130 32.130 30.999 1.131 18887 9563 1 16 . 1 1 89 89 ILE N N 89 114.700 114.700 116.945 -2.245 18887 9564 1 16 . 1 1 89 89 ILE HA H 89 3.310 3.310 3.954 -0.644 18887 9565 1 16 . 1 1 89 89 ILE C C 89 177.850 177.850 177.325 0.525 18887 9566 1 16 . 1 1 89 89 ILE CA C 89 66.320 66.320 63.322 2.998 18887 9567 1 16 . 1 1 89 89 ILE CB C 89 38.790 38.790 37.967 0.823 18887 9568 1 16 . 1 1 89 89 ILE H H 89 6.300 6.300 7.270 -0.970 18887 9569 1 16 . 1 1 90 90 LYS N N 90 118.530 118.530 119.502 -0.972 18887 9570 1 16 . 1 1 90 90 LYS HA H 90 4.060 4.060 4.336 -0.276 18887 9571 1 16 . 1 1 90 90 LYS C C 90 177.390 177.390 178.142 -0.752 18887 9572 1 16 . 1 1 90 90 LYS CA C 90 59.710 59.710 58.198 1.512 18887 9573 1 16 . 1 1 90 90 LYS CB C 90 33.940 33.940 34.090 -0.150 18887 9574 1 16 . 1 1 90 90 LYS H H 90 7.440 7.440 7.712 -0.272 18887 9575 1 16 . 1 1 91 91 ASP N N 91 114.670 114.670 121.486 -6.816 18887 9576 1 16 . 1 1 91 91 ASP HA H 91 4.530 4.530 4.792 -0.262 18887 9577 1 16 . 1 1 91 91 ASP C C 91 174.350 174.350 175.676 -1.326 18887 9578 1 16 . 1 1 91 91 ASP CA C 91 55.120 55.120 54.064 1.056 18887 9579 1 16 . 1 1 91 91 ASP CB C 91 41.530 41.530 39.549 1.981 18887 9580 1 16 . 1 1 91 91 ASP H H 91 7.700 7.700 8.629 -0.929 18887 9581 1 16 . 1 1 92 92 ALA N N 92 111.350 111.350 122.866 -11.516 18887 9582 1 16 . 1 1 92 92 ALA HA H 92 3.830 3.830 3.963 -0.133 18887 9583 1 16 . 1 1 92 92 ALA C C 92 169.330 169.330 179.061 -9.731 18887 9584 1 16 . 1 1 92 92 ALA CA C 92 57.220 57.220 55.710 1.510 18887 9585 1 16 . 1 1 92 92 ALA CB C 92 20.700 20.700 18.739 1.961 18887 9586 1 16 . 1 1 92 92 ALA H H 92 8.860 8.860 7.520 1.340 18887 9587 1 16 . 1 1 93 93 GLU N N 93 117.860 117.860 117.000 0.860 18887 9588 1 16 . 1 1 93 93 GLU HA H 93 3.860 3.860 3.961 -0.101 18887 9589 1 16 . 1 1 93 93 GLU C C 93 177.970 177.970 178.592 -0.622 18887 9590 1 16 . 1 1 93 93 GLU CA C 93 61.240 61.240 59.373 1.867 18887 9591 1 16 . 1 1 93 93 GLU CB C 93 30.570 30.570 29.218 1.352 18887 9592 1 16 . 1 1 93 93 GLU H H 93 8.520 8.520 8.816 -0.296 18887 9593 1 16 . 1 1 94 94 LYS N N 94 119.790 119.790 120.369 -0.579 18887 9594 1 16 . 1 1 94 94 LYS HA H 94 3.930 3.930 4.062 -0.132 18887 9595 1 16 . 1 1 94 94 LYS C C 94 169.840 169.840 178.698 -8.858 18887 9596 1 16 . 1 1 94 94 LYS CA C 94 60.600 60.600 59.354 1.246 18887 9597 1 16 . 1 1 94 94 LYS CB C 94 33.550 33.550 32.047 1.503 18887 9598 1 16 . 1 1 94 94 LYS H H 94 7.670 7.670 7.344 0.326 18887 9599 1 16 . 1 1 95 95 VAL N N 95 118.850 118.850 120.017 -1.167 18887 9600 1 16 . 1 1 95 95 VAL HA H 95 3.590 3.590 3.665 -0.075 18887 9601 1 16 . 1 1 95 95 VAL C C 95 176.620 176.620 178.028 -1.408 18887 9602 1 16 . 1 1 95 95 VAL CA C 95 67.220 67.220 66.670 0.550 18887 9603 1 16 . 1 1 95 95 VAL CB C 95 32.880 32.880 31.642 1.238 18887 9604 1 16 . 1 1 95 95 VAL H H 95 7.150 7.150 8.342 -1.192 18887 9605 1 16 . 1 1 96 96 ILE N N 96 119.120 119.120 120.075 -0.955 18887 9606 1 16 . 1 1 96 96 ILE HA H 96 3.380 3.380 3.545 -0.165 18887 9607 1 16 . 1 1 96 96 ILE C C 96 177.750 177.750 177.965 -0.215 18887 9608 1 16 . 1 1 96 96 ILE CA C 96 67.190 67.190 65.663 1.527 18887 9609 1 16 . 1 1 96 96 ILE CB C 96 38.440 38.440 37.352 1.088 18887 9610 1 16 . 1 1 96 96 ILE H H 96 8.380 8.380 7.675 0.705 18887 9611 1 16 . 1 1 97 97 ASN N N 97 117.000 117.000 117.988 -0.988 18887 9612 1 16 . 1 1 97 97 ASN HA H 97 4.420 4.420 4.439 -0.019 18887 9613 1 16 . 1 1 97 97 ASN C C 97 178.380 178.380 177.588 0.792 18887 9614 1 16 . 1 1 97 97 ASN CA C 97 57.430 57.430 56.464 0.966 18887 9615 1 16 . 1 1 97 97 ASN CB C 97 39.030 39.030 38.371 0.659 18887 9616 1 16 . 1 1 97 97 ASN H H 97 8.730 8.730 8.338 0.392 18887 9617 1 16 . 1 1 98 98 ALA N N 98 123.790 123.790 122.239 1.551 18887 9618 1 16 . 1 1 98 98 ALA HA H 98 4.100 4.100 4.156 -0.056 18887 9619 1 16 . 1 1 98 98 ALA C C 98 169.600 169.600 178.874 -9.274 18887 9620 1 16 . 1 1 98 98 ALA CA C 98 55.890 55.890 54.896 0.994 18887 9621 1 16 . 1 1 98 98 ALA CB C 98 18.850 18.850 18.156 0.694 18887 9622 1 16 . 1 1 98 98 ALA H H 98 7.950 7.950 7.904 0.046 18887 9623 1 16 . 1 1 99 99 ALA N N 99 122.120 122.120 120.881 1.239 18887 9624 1 16 . 1 1 99 99 ALA HA H 99 3.930 3.930 4.070 -0.140 18887 9625 1 16 . 1 1 99 99 ALA C C 99 178.700 178.700 179.906 -1.206 18887 9626 1 16 . 1 1 99 99 ALA CA C 99 55.920 55.920 54.504 1.416 18887 9627 1 16 . 1 1 99 99 ALA CB C 99 18.960 18.960 18.476 0.484 18887 9628 1 16 . 1 1 99 99 ALA H H 99 7.930 7.930 7.425 0.505 18887 9629 1 16 . 1 1 100 100 LEU N N 100 115.870 115.870 119.272 -3.402 18887 9630 1 16 . 1 1 100 100 LEU HA H 100 3.900 3.900 4.103 -0.203 18887 9631 1 16 . 1 1 100 100 LEU C C 100 169.150 169.150 178.573 -9.423 18887 9632 1 16 . 1 1 100 100 LEU CA C 100 58.140 58.140 56.861 1.279 18887 9633 1 16 . 1 1 100 100 LEU CB C 100 41.730 41.730 40.607 1.123 18887 9634 1 16 . 1 1 100 100 LEU H H 100 8.220 8.220 7.774 0.446 18887 9635 1 16 . 1 1 101 101 ALA N N 101 120.410 120.410 121.343 -0.933 18887 9636 1 16 . 1 1 101 101 ALA HA H 101 4.100 4.100 4.226 -0.126 18887 9637 1 16 . 1 1 101 101 ALA C C 101 169.730 169.730 178.999 -9.269 18887 9638 1 16 . 1 1 101 101 ALA CA C 101 55.680 55.680 54.643 1.037 18887 9639 1 16 . 1 1 101 101 ALA CB C 101 18.860 18.860 18.252 0.608 18887 9640 1 16 . 1 1 101 101 ALA H H 101 7.970 7.970 7.979 -0.009 18887 9641 1 16 . 1 1 102 102 LEU N N 102 115.090 115.090 118.430 -3.340 18887 9642 1 16 . 1 1 102 102 LEU HA H 102 4.120 4.120 4.167 -0.047 18887 9643 1 16 . 1 1 102 102 LEU C C 102 169.060 169.060 178.840 -9.780 18887 9644 1 16 . 1 1 102 102 LEU CA C 102 57.870 57.870 57.151 0.719 18887 9645 1 16 . 1 1 102 102 LEU CB C 102 43.730 43.730 42.290 1.440 18887 9646 1 16 . 1 1 102 102 LEU H H 102 7.330 7.330 7.486 -0.156 18887 9647 1 16 . 1 1 103 103 ILE N N 103 110.170 110.170 113.659 -3.489 18887 9648 1 16 . 1 1 103 103 ILE HA H 103 4.430 4.430 4.163 0.267 18887 9649 1 16 . 1 1 103 103 ILE C C 103 176.670 176.670 177.157 -0.487 18887 9650 1 16 . 1 1 103 103 ILE CA C 103 62.520 62.520 63.507 -0.987 18887 9651 1 16 . 1 1 103 103 ILE CB C 103 40.020 40.020 38.740 1.280 18887 9652 1 16 . 1 1 103 103 ILE H H 103 7.140 7.140 7.408 -0.268 18887 9653 1 16 . 1 1 104 104 ASP N N 104 122.560 122.560 119.484 3.076 18887 9654 1 16 . 1 1 104 104 ASP HA H 104 4.650 4.650 4.749 -0.099 18887 9655 1 16 . 1 1 104 104 ASP C C 104 176.670 176.670 175.925 0.745 18887 9656 1 16 . 1 1 104 104 ASP CA C 104 56.220 56.220 54.749 1.471 18887 9657 1 16 . 1 1 104 104 ASP CB C 104 42.080 42.080 42.472 -0.392 18887 9658 1 16 . 1 1 104 104 ASP H H 104 8.000 8.000 8.228 -0.228 18887 9659 1 16 . 1 1 105 105 GLU N N 105 120.750 120.750 118.391 2.359 18887 9660 1 16 . 1 1 105 105 GLU HA H 105 4.300 4.300 3.862 0.438 18887 9661 1 16 . 1 1 105 105 GLU C C 105 175.470 175.470 174.692 0.778 18887 9662 1 16 . 1 1 105 105 GLU CA C 105 57.640 57.640 57.495 0.145 18887 9663 1 16 . 1 1 105 105 GLU CB C 105 30.870 30.870 28.311 2.559 18887 9664 1 16 . 1 1 105 105 GLU H H 105 8.030 8.030 8.283 -0.253 18887 9665 1 17 . 1 1 2 2 LYS N N 2 120.950 120.950 122.243 -1.293 18887 9666 1 17 . 1 1 2 2 LYS HA H 2 4.330 4.330 4.637 -0.307 18887 9667 1 17 . 1 1 2 2 LYS C C 2 176.040 176.040 175.625 0.415 18887 9668 1 17 . 1 1 2 2 LYS CA C 2 57.850 57.850 55.583 2.267 18887 9669 1 17 . 1 1 2 2 LYS CB C 2 33.480 33.480 32.761 0.718 18887 9670 1 17 . 1 1 2 2 LYS H H 2 8.220 8.220 8.076 0.144 18887 9671 1 17 . 1 1 3 3 ARG N N 3 120.340 120.340 125.496 -5.156 18887 9672 1 17 . 1 1 3 3 ARG HA H 3 4.660 4.660 4.300 0.360 18887 9673 1 17 . 1 1 3 3 ARG C C 3 175.960 175.960 176.204 -0.244 18887 9674 1 17 . 1 1 3 3 ARG CA C 3 53.810 53.810 55.909 -2.099 18887 9675 1 17 . 1 1 3 3 ARG CB C 3 29.710 29.710 30.719 -1.009 18887 9676 1 17 . 1 1 3 3 ARG H H 3 8.220 8.220 8.559 -0.339 18887 9677 1 17 . 1 1 4 4 LYS N N 4 121.540 121.540 127.857 -6.317 18887 9678 1 17 . 1 1 4 4 LYS HA H 4 4.770 4.770 4.834 -0.064 18887 9679 1 17 . 1 1 4 4 LYS C C 4 174.820 174.820 175.999 -1.179 18887 9680 1 17 . 1 1 4 4 LYS CA C 4 57.230 57.230 55.099 2.131 18887 9681 1 17 . 1 1 4 4 LYS CB C 4 33.800 33.800 32.244 1.556 18887 9682 1 17 . 1 1 4 4 LYS H H 4 8.880 8.880 9.051 -0.171 18887 9683 1 17 . 1 1 5 5 ILE N N 5 125.030 125.030 126.331 -1.301 18887 9684 1 17 . 1 1 5 5 ILE HA H 5 4.530 4.530 5.058 -0.528 18887 9685 1 17 . 1 1 5 5 ILE C C 5 175.420 175.420 174.490 0.930 18887 9686 1 17 . 1 1 5 5 ILE CA C 5 61.120 61.120 59.941 1.179 18887 9687 1 17 . 1 1 5 5 ILE CB C 5 41.880 41.880 41.746 0.134 18887 9688 1 17 . 1 1 5 5 ILE H H 5 8.760 8.760 9.229 -0.469 18887 9689 1 17 . 1 1 6 6 ILE N N 6 119.270 119.270 121.747 -2.477 18887 9690 1 17 . 1 1 6 6 ILE HA H 6 5.440 5.440 5.142 0.298 18887 9691 1 17 . 1 1 6 6 ILE C C 6 173.880 173.880 173.644 0.236 18887 9692 1 17 . 1 1 6 6 ILE CA C 6 60.480 60.480 58.034 2.446 18887 9693 1 17 . 1 1 6 6 ILE CB C 6 42.120 42.120 40.305 1.815 18887 9694 1 17 . 1 1 6 6 ILE H H 6 8.110 8.110 8.263 -0.153 18887 9695 1 17 . 1 1 7 7 ALA N N 7 122.330 122.330 127.791 -5.461 18887 9696 1 17 . 1 1 7 7 ALA HA H 7 5.780 5.780 5.165 0.615 18887 9697 1 17 . 1 1 7 7 ALA C C 7 173.950 173.950 175.201 -1.251 18887 9698 1 17 . 1 1 7 7 ALA CA C 7 51.280 51.280 50.024 1.256 18887 9699 1 17 . 1 1 7 7 ALA CB C 7 25.930 25.930 22.574 3.356 18887 9700 1 17 . 1 1 7 7 ALA H H 7 8.790 8.790 8.614 0.176 18887 9701 1 17 . 1 1 8 8 VAL N N 8 119.860 119.860 124.492 -4.632 18887 9702 1 17 . 1 1 8 8 VAL HA H 8 5.190 5.190 4.578 0.612 18887 9703 1 17 . 1 1 8 8 VAL C C 8 175.590 175.590 175.292 0.298 18887 9704 1 17 . 1 1 8 8 VAL CA C 8 61.340 61.340 60.779 0.561 18887 9705 1 17 . 1 1 8 8 VAL CB C 8 36.650 36.650 33.696 2.954 18887 9706 1 17 . 1 1 8 8 VAL H H 8 8.950 8.950 8.202 0.748 18887 9707 1 17 . 1 1 9 9 THR N N 9 116.320 116.320 118.044 -1.724 18887 9708 1 17 . 1 1 9 9 THR HA H 9 5.500 5.500 5.490 0.010 18887 9709 1 17 . 1 1 9 9 THR C C 9 172.920 172.920 173.417 -0.497 18887 9710 1 17 . 1 1 9 9 THR CA C 9 59.470 59.470 59.257 0.213 18887 9711 1 17 . 1 1 9 9 THR CB C 9 71.510 71.510 70.604 0.906 18887 9712 1 17 . 1 1 9 9 THR H H 9 8.860 8.860 8.960 -0.100 18887 9713 1 17 . 1 1 10 10 ALA N N 10 121.780 121.780 127.222 -5.442 18887 9714 1 17 . 1 1 10 10 ALA HA H 10 4.800 4.800 4.946 -0.146 18887 9715 1 17 . 1 1 10 10 ALA C C 10 174.680 174.680 175.567 -0.887 18887 9716 1 17 . 1 1 10 10 ALA CA C 10 54.300 54.300 51.372 2.928 18887 9717 1 17 . 1 1 10 10 ALA CB C 10 22.940 22.940 22.776 0.164 18887 9718 1 17 . 1 1 10 10 ALA H H 10 7.710 7.710 8.903 -1.193 18887 9719 1 17 . 1 1 11 11 CYS N N 11 121.780 121.780 118.042 3.738 18887 9720 1 17 . 1 1 11 11 CYS HA H 11 5.160 5.160 4.426 0.734 18887 9721 1 17 . 1 1 11 11 CYS C C 11 174.700 174.700 174.996 -0.296 18887 9722 1 17 . 1 1 11 11 CYS CA C 11 57.150 57.150 59.806 -2.656 18887 9723 1 17 . 1 1 11 11 CYS CB C 11 30.830 30.830 29.931 0.899 18887 9724 1 17 . 1 1 11 11 CYS H H 11 8.140 8.140 8.875 -0.735 18887 9725 1 17 . 1 1 12 12 ALA N N 12 113.900 113.900 123.394 -9.494 18887 9726 1 17 . 1 1 12 12 ALA HA H 12 4.220 4.220 3.761 0.459 18887 9727 1 17 . 1 1 12 12 ALA C C 12 168.950 168.950 177.938 -8.988 18887 9728 1 17 . 1 1 12 12 ALA CA C 12 55.270 55.270 54.709 0.561 18887 9729 1 17 . 1 1 12 12 ALA CB C 12 20.320 20.320 16.403 3.917 18887 9730 1 17 . 1 1 12 12 ALA H H 12 10.630 10.630 8.528 2.102 18887 9731 1 17 . 1 1 13 13 THR N N 13 109.490 109.490 116.349 -6.859 18887 9732 1 17 . 1 1 13 13 THR HA H 13 4.390 4.390 4.161 0.229 18887 9733 1 17 . 1 1 13 13 THR C C 13 174.870 174.870 176.152 -1.282 18887 9734 1 17 . 1 1 13 13 THR CA C 13 62.910 62.910 64.680 -1.770 18887 9735 1 17 . 1 1 13 13 THR CB C 13 70.640 70.640 69.244 1.396 18887 9736 1 17 . 1 1 13 13 THR H H 13 8.180 8.180 8.121 0.059 18887 9737 1 17 . 1 1 14 14 GLY N N 14 111.450 111.450 110.968 0.482 18887 9738 1 17 . 1 1 14 14 GLY C C 14 173.680 173.680 174.751 -1.071 18887 9739 1 17 . 1 1 14 14 GLY CA C 14 47.050 47.050 44.363 2.687 18887 9740 1 17 . 1 1 14 14 GLY H H 14 7.880 7.880 7.846 0.034 18887 9741 1 17 . 1 1 15 15 VAL N N 15 119.530 119.530 125.400 -5.870 18887 9742 1 17 . 1 1 15 15 VAL HA H 15 4.110 4.110 3.696 0.414 18887 9743 1 17 . 1 1 15 15 VAL C C 15 176.860 176.860 177.767 -0.907 18887 9744 1 17 . 1 1 15 15 VAL CA C 15 64.740 64.740 65.684 -0.944 18887 9745 1 17 . 1 1 15 15 VAL CB C 15 33.690 33.690 31.340 2.350 18887 9746 1 17 . 1 1 15 15 VAL H H 15 8.250 8.250 7.784 0.466 18887 9747 1 17 . 1 1 16 16 ALA N N 16 123.230 123.230 120.894 2.336 18887 9748 1 17 . 1 1 16 16 ALA HA H 16 4.230 4.230 4.151 0.079 18887 9749 1 17 . 1 1 16 16 ALA C C 16 170.610 170.610 179.571 -8.961 18887 9750 1 17 . 1 1 16 16 ALA CA C 16 56.280 56.280 55.099 1.181 18887 9751 1 17 . 1 1 16 16 ALA CB C 16 19.320 19.320 18.190 1.130 18887 9752 1 17 . 1 1 16 16 ALA H H 16 8.430 8.430 8.577 -0.147 18887 9753 1 17 . 1 1 17 17 HIS HA H 17 4.380 4.380 4.337 0.043 18887 9754 1 17 . 1 1 17 17 HIS C C 17 177.260 177.260 177.473 -0.213 18887 9755 1 17 . 1 1 17 17 HIS CA C 17 60.060 60.060 59.365 0.695 18887 9756 1 17 . 1 1 17 17 HIS CB C 17 31.990 31.990 29.156 2.834 18887 9757 1 17 . 1 1 18 18 THR N N 18 115.830 115.830 118.002 -2.172 18887 9758 1 17 . 1 1 18 18 THR HA H 18 3.540 3.540 3.955 -0.415 18887 9759 1 17 . 1 1 18 18 THR C C 18 176.690 176.690 176.329 0.361 18887 9760 1 17 . 1 1 18 18 THR CA C 18 67.700 67.700 67.490 0.210 18887 9761 1 17 . 1 1 18 18 THR CB C 18 69.550 69.550 68.830 0.720 18887 9762 1 17 . 1 1 18 18 THR H H 18 7.590 7.590 7.842 -0.252 18887 9763 1 17 . 1 1 19 19 TYR N N 19 121.050 121.050 120.582 0.468 18887 9764 1 17 . 1 1 19 19 TYR HA H 19 4.340 4.340 4.309 0.031 18887 9765 1 17 . 1 1 19 19 TYR C C 19 178.420 178.420 178.066 0.354 18887 9766 1 17 . 1 1 19 19 TYR CA C 19 61.220 61.220 61.209 0.012 18887 9767 1 17 . 1 1 19 19 TYR CB C 19 38.400 38.400 37.696 0.704 18887 9768 1 17 . 1 1 19 19 TYR H H 19 7.710 7.710 7.692 0.018 18887 9769 1 17 . 1 1 20 20 MET N N 20 120.220 120.220 120.022 0.198 18887 9770 1 17 . 1 1 20 20 MET HA H 20 4.160 4.160 4.019 0.141 18887 9771 1 17 . 1 1 20 20 MET C C 20 169.550 169.550 178.094 -8.544 18887 9772 1 17 . 1 1 20 20 MET CA C 20 60.050 60.050 57.644 2.406 18887 9773 1 17 . 1 1 20 20 MET CB C 20 34.410 34.410 32.159 2.251 18887 9774 1 17 . 1 1 20 20 MET H H 20 8.470 8.470 8.566 -0.096 18887 9775 1 17 . 1 1 21 21 ALA N N 21 122.280 122.280 120.709 1.571 18887 9776 1 17 . 1 1 21 21 ALA HA H 21 3.870 3.870 3.904 -0.034 18887 9777 1 17 . 1 1 21 21 ALA C C 21 178.630 178.630 179.025 -0.395 18887 9778 1 17 . 1 1 21 21 ALA CA C 21 56.760 56.760 55.227 1.533 18887 9779 1 17 . 1 1 21 21 ALA CB C 21 19.690 19.690 18.032 1.658 18887 9780 1 17 . 1 1 21 21 ALA H H 21 8.490 8.490 8.271 0.219 18887 9781 1 17 . 1 1 22 22 ALA N N 22 120.240 120.240 121.343 -1.103 18887 9782 1 17 . 1 1 22 22 ALA HA H 22 3.900 3.900 3.846 0.054 18887 9783 1 17 . 1 1 22 22 ALA C C 22 169.200 169.200 179.766 -10.566 18887 9784 1 17 . 1 1 22 22 ALA CA C 22 56.880 56.880 55.242 1.638 18887 9785 1 17 . 1 1 22 22 ALA CB C 22 19.560 19.560 18.362 1.198 18887 9786 1 17 . 1 1 22 22 ALA H H 22 7.660 7.660 7.823 -0.163 18887 9787 1 17 . 1 1 23 23 GLN N N 23 116.680 116.680 118.112 -1.432 18887 9788 1 17 . 1 1 23 23 GLN HA H 23 3.940 3.940 4.076 -0.136 18887 9789 1 17 . 1 1 23 23 GLN C C 23 178.500 178.500 178.627 -0.127 18887 9790 1 17 . 1 1 23 23 GLN CA C 23 59.550 59.550 58.554 0.996 18887 9791 1 17 . 1 1 23 23 GLN CB C 23 29.660 29.660 28.869 0.791 18887 9792 1 17 . 1 1 23 23 GLN H H 23 8.430 8.430 8.358 0.072 18887 9793 1 17 . 1 1 24 24 ALA N N 24 121.760 121.760 123.810 -2.050 18887 9794 1 17 . 1 1 24 24 ALA HA H 24 4.140 4.140 4.083 0.057 18887 9795 1 17 . 1 1 24 24 ALA C C 24 171.490 171.490 179.219 -7.729 18887 9796 1 17 . 1 1 24 24 ALA CA C 24 56.060 56.060 55.280 0.780 18887 9797 1 17 . 1 1 24 24 ALA CB C 24 19.760 19.760 18.496 1.264 18887 9798 1 17 . 1 1 24 24 ALA H H 24 8.130 8.130 8.485 -0.355 18887 9799 1 17 . 1 1 25 25 LEU N N 25 118.730 118.730 119.754 -1.024 18887 9800 1 17 . 1 1 25 25 LEU HA H 25 3.850 3.850 3.833 0.017 18887 9801 1 17 . 1 1 25 25 LEU C C 25 177.990 177.990 179.062 -1.072 18887 9802 1 17 . 1 1 25 25 LEU CA C 25 59.280 59.280 58.100 1.180 18887 9803 1 17 . 1 1 25 25 LEU CB C 25 43.190 43.190 41.577 1.613 18887 9804 1 17 . 1 1 25 25 LEU H H 25 8.030 8.030 8.599 -0.569 18887 9805 1 17 . 1 1 26 26 LYS N N 26 118.850 118.850 119.048 -0.198 18887 9806 1 17 . 1 1 26 26 LYS HA H 26 3.840 3.840 3.902 -0.062 18887 9807 1 17 . 1 1 26 26 LYS C C 26 169.460 169.460 178.435 -8.975 18887 9808 1 17 . 1 1 26 26 LYS CA C 26 61.420 61.420 59.778 1.642 18887 9809 1 17 . 1 1 26 26 LYS CB C 26 33.440 33.440 32.160 1.280 18887 9810 1 17 . 1 1 26 26 LYS H H 26 8.000 8.000 7.922 0.078 18887 9811 1 17 . 1 1 27 27 LYS N N 27 120.350 120.350 119.232 1.118 18887 9812 1 17 . 1 1 27 27 LYS HA H 27 3.990 3.990 3.999 -0.009 18887 9813 1 17 . 1 1 27 27 LYS C C 27 169.670 169.670 179.102 -9.432 18887 9814 1 17 . 1 1 27 27 LYS CA C 27 60.700 60.700 59.454 1.246 18887 9815 1 17 . 1 1 27 27 LYS CB C 27 33.620 33.620 32.321 1.299 18887 9816 1 17 . 1 1 27 27 LYS H H 27 8.350 8.350 7.835 0.515 18887 9817 1 17 . 1 1 28 28 GLY N N 28 125.170 125.170 105.902 19.268 18887 9818 1 17 . 1 1 28 28 GLY C C 28 174.520 174.520 175.737 -1.217 18887 9819 1 17 . 1 1 28 28 GLY CA C 28 47.870 47.870 46.633 1.237 18887 9820 1 17 . 1 1 28 28 GLY H H 28 8.410 8.410 8.353 0.057 18887 9821 1 17 . 1 1 29 29 ALA N N 29 122.370 122.370 125.269 -2.899 18887 9822 1 17 . 1 1 29 29 ALA HA H 29 3.820 3.820 4.087 -0.267 18887 9823 1 17 . 1 1 29 29 ALA C C 29 169.050 169.050 179.493 -10.443 18887 9824 1 17 . 1 1 29 29 ALA CA C 29 56.840 56.840 55.175 1.665 18887 9825 1 17 . 1 1 29 29 ALA CB C 29 18.800 18.800 18.455 0.345 18887 9826 1 17 . 1 1 29 29 ALA H H 29 8.280 8.280 8.285 -0.005 18887 9827 1 17 . 1 1 30 30 LYS N N 30 117.490 117.490 117.276 0.214 18887 9828 1 17 . 1 1 30 30 LYS HA H 30 4.130 4.130 4.145 -0.015 18887 9829 1 17 . 1 1 30 30 LYS C C 30 170.330 170.330 178.777 -8.447 18887 9830 1 17 . 1 1 30 30 LYS CA C 30 60.420 60.420 58.328 2.092 18887 9831 1 17 . 1 1 30 30 LYS CB C 30 33.230 33.230 32.175 1.055 18887 9832 1 17 . 1 1 30 30 LYS H H 30 7.720 7.720 8.201 -0.481 18887 9833 1 17 . 1 1 31 31 LYS N N 31 121.050 121.050 120.681 0.369 18887 9834 1 17 . 1 1 31 31 LYS HA H 31 4.020 4.020 4.124 -0.104 18887 9835 1 17 . 1 1 31 31 LYS C C 31 178.160 178.160 178.515 -0.355 18887 9836 1 17 . 1 1 31 31 LYS CA C 31 60.360 60.360 58.492 1.868 18887 9837 1 17 . 1 1 31 31 LYS CB C 31 33.380 33.380 32.203 1.177 18887 9838 1 17 . 1 1 31 31 LYS H H 31 7.930 7.930 7.524 0.406 18887 9839 1 17 . 1 1 32 32 MET N N 32 114.620 114.620 115.789 -1.169 18887 9840 1 17 . 1 1 32 32 MET HA H 32 4.240 4.240 4.432 -0.192 18887 9841 1 17 . 1 1 32 32 MET C C 32 175.810 175.810 177.249 -1.439 18887 9842 1 17 . 1 1 32 32 MET CA C 32 57.400 57.400 55.260 2.140 18887 9843 1 17 . 1 1 32 32 MET CB C 32 37.710 37.710 33.028 4.682 18887 9844 1 17 . 1 1 32 32 MET H H 32 7.420 7.420 8.200 -0.780 18887 9845 1 17 . 1 1 33 33 GLY N N 33 124.900 124.900 108.942 15.958 18887 9846 1 17 . 1 1 33 33 GLY C C 33 174.340 174.340 173.271 1.069 18887 9847 1 17 . 1 1 33 33 GLY CA C 33 46.830 46.830 44.942 1.888 18887 9848 1 17 . 1 1 33 33 GLY H H 33 7.860 7.860 8.106 -0.246 18887 9849 1 17 . 1 1 34 34 ASN N N 34 116.070 116.070 117.651 -1.581 18887 9850 1 17 . 1 1 34 34 ASN HA H 34 5.210 5.210 5.099 0.111 18887 9851 1 17 . 1 1 34 34 ASN C C 34 173.080 173.080 173.357 -0.277 18887 9852 1 17 . 1 1 34 34 ASN CA C 34 52.770 52.770 52.226 0.544 18887 9853 1 17 . 1 1 34 34 ASN CB C 34 42.880 42.880 41.972 0.908 18887 9854 1 17 . 1 1 34 34 ASN H H 34 8.160 8.160 8.241 -0.081 18887 9855 1 17 . 1 1 35 35 LEU N N 35 121.450 121.450 120.439 1.011 18887 9856 1 17 . 1 1 35 35 LEU HA H 35 4.620 4.620 4.760 -0.140 18887 9857 1 17 . 1 1 35 35 LEU C C 35 174.930 174.930 174.686 0.244 18887 9858 1 17 . 1 1 35 35 LEU CA C 35 55.150 55.150 53.979 1.171 18887 9859 1 17 . 1 1 35 35 LEU CB C 35 44.760 44.760 44.575 0.185 18887 9860 1 17 . 1 1 35 35 LEU H H 35 8.770 8.770 8.676 0.094 18887 9861 1 17 . 1 1 36 36 ILE N N 36 119.690 119.690 123.260 -3.570 18887 9862 1 17 . 1 1 36 36 ILE HA H 36 5.660 5.660 5.365 0.295 18887 9863 1 17 . 1 1 36 36 ILE C C 36 172.620 172.620 174.770 -2.150 18887 9864 1 17 . 1 1 36 36 ILE CA C 36 59.410 59.410 58.907 0.503 18887 9865 1 17 . 1 1 36 36 ILE CB C 36 44.340 44.340 41.515 2.825 18887 9866 1 17 . 1 1 36 36 ILE H H 36 8.390 8.390 8.553 -0.163 18887 9867 1 17 . 1 1 37 37 LYS N N 37 126.230 126.230 128.957 -2.727 18887 9868 1 17 . 1 1 37 37 LYS HA H 37 4.590 4.590 4.717 -0.127 18887 9869 1 17 . 1 1 37 37 LYS C C 37 174.340 174.340 174.517 -0.177 18887 9870 1 17 . 1 1 37 37 LYS CA C 37 57.050 57.050 53.835 3.215 18887 9871 1 17 . 1 1 37 37 LYS CB C 37 36.860 36.860 32.994 3.866 18887 9872 1 17 . 1 1 37 37 LYS H H 37 7.210 7.210 8.658 -1.448 18887 9873 1 17 . 1 1 38 38 VAL N N 38 124.270 124.270 125.489 -1.219 18887 9874 1 17 . 1 1 38 38 VAL HA H 38 4.920 4.920 4.942 -0.022 18887 9875 1 17 . 1 1 38 38 VAL C C 38 174.660 174.660 175.634 -0.974 18887 9876 1 17 . 1 1 38 38 VAL CA C 38 61.420 61.420 59.331 2.089 18887 9877 1 17 . 1 1 38 38 VAL CB C 38 35.020 35.020 33.773 1.247 18887 9878 1 17 . 1 1 38 38 VAL H H 38 8.760 8.760 8.674 0.086 18887 9879 1 17 . 1 1 39 39 GLU N N 39 114.800 114.800 128.937 -14.137 18887 9880 1 17 . 1 1 39 39 GLU HA H 39 5.020 5.020 4.634 0.386 18887 9881 1 17 . 1 1 39 39 GLU C C 39 175.680 175.680 175.129 0.551 18887 9882 1 17 . 1 1 39 39 GLU CA C 39 55.680 55.680 54.611 1.069 18887 9883 1 17 . 1 1 39 39 GLU CB C 39 33.940 33.940 33.400 0.540 18887 9884 1 17 . 1 1 39 39 GLU H H 39 9.210 9.210 9.233 -0.023 18887 9885 1 17 . 1 1 40 40 THR N N 40 115.120 115.120 122.430 -7.310 18887 9886 1 17 . 1 1 40 40 THR HA H 40 5.180 5.180 4.861 0.319 18887 9887 1 17 . 1 1 40 40 THR C C 40 174.200 174.200 172.768 1.432 18887 9888 1 17 . 1 1 40 40 THR CA C 40 59.710 59.710 62.329 -2.619 18887 9889 1 17 . 1 1 40 40 THR CB C 40 71.270 71.270 69.507 1.763 18887 9890 1 17 . 1 1 40 40 THR H H 40 8.500 8.500 8.399 0.101 18887 9891 1 17 . 1 1 41 41 GLN N N 41 119.850 119.850 128.284 -8.434 18887 9892 1 17 . 1 1 41 41 GLN HA H 41 4.990 4.990 5.187 -0.197 18887 9893 1 17 . 1 1 41 41 GLN C C 41 175.110 175.110 176.017 -0.907 18887 9894 1 17 . 1 1 41 41 GLN CA C 41 54.980 54.980 53.684 1.296 18887 9895 1 17 . 1 1 41 41 GLN CB C 41 29.780 29.780 31.622 -1.842 18887 9896 1 17 . 1 1 41 41 GLN H H 41 8.470 8.470 8.671 -0.201 18887 9897 1 17 . 1 1 42 42 GLY N N 42 109.530 109.530 112.706 -3.176 18887 9898 1 17 . 1 1 42 42 GLY C C 42 174.750 174.750 173.872 0.878 18887 9899 1 17 . 1 1 42 42 GLY CA C 42 45.630 45.630 47.136 -1.506 18887 9900 1 17 . 1 1 42 42 GLY H H 42 7.890 7.890 8.469 -0.579 18887 9901 1 17 . 1 1 43 43 ALA N N 43 123.850 123.850 117.686 6.164 18887 9902 1 17 . 1 1 43 43 ALA HA H 43 4.170 4.170 4.810 -0.640 18887 9903 1 17 . 1 1 43 43 ALA C C 43 169.490 169.490 176.865 -7.375 18887 9904 1 17 . 1 1 43 43 ALA CA C 43 56.170 56.170 53.080 3.090 18887 9905 1 17 . 1 1 43 43 ALA CB C 43 19.910 19.910 18.990 0.920 18887 9906 1 17 . 1 1 43 43 ALA H H 43 8.730 8.730 7.588 1.141 18887 9907 1 17 . 1 1 44 44 THR N N 44 122.380 122.380 113.614 8.766 18887 9908 1 17 . 1 1 44 44 THR HA H 44 4.390 4.390 4.473 -0.083 18887 9909 1 17 . 1 1 44 44 THR C C 44 174.260 174.260 175.306 -1.046 18887 9910 1 17 . 1 1 44 44 THR CA C 44 62.190 62.190 62.681 -0.491 18887 9911 1 17 . 1 1 44 44 THR CB C 44 70.080 70.080 69.981 0.099 18887 9912 1 17 . 1 1 44 44 THR H H 44 7.950 7.950 8.176 -0.226 18887 9913 1 17 . 1 1 45 45 GLY N N 45 109.360 109.360 111.761 -2.401 18887 9914 1 17 . 1 1 45 45 GLY C C 45 172.380 172.380 172.978 -0.598 18887 9915 1 17 . 1 1 45 45 GLY CA C 45 45.510 45.510 44.574 0.936 18887 9916 1 17 . 1 1 45 45 GLY H H 45 7.560 7.560 7.891 -0.331 18887 9917 1 17 . 1 1 46 46 ILE N N 46 122.050 122.050 123.185 -1.135 18887 9918 1 17 . 1 1 46 46 ILE HA H 46 4.780 4.780 4.489 0.291 18887 9919 1 17 . 1 1 46 46 ILE C C 46 176.010 176.010 175.060 0.950 18887 9920 1 17 . 1 1 46 46 ILE CA C 46 61.950 61.950 58.903 3.047 18887 9921 1 17 . 1 1 46 46 ILE CB C 46 40.810 40.810 38.410 2.401 18887 9922 1 17 . 1 1 46 46 ILE H H 46 8.480 8.480 8.376 0.104 18887 9923 1 17 . 1 1 47 47 GLU N N 47 109.160 109.160 126.928 -17.768 18887 9924 1 17 . 1 1 47 47 GLU HA H 47 4.660 4.660 4.635 0.025 18887 9925 1 17 . 1 1 47 47 GLU C C 47 174.750 174.750 176.492 -1.742 18887 9926 1 17 . 1 1 47 47 GLU CA C 47 55.940 55.940 55.503 0.437 18887 9927 1 17 . 1 1 47 47 GLU CB C 47 33.640 33.640 32.119 1.521 18887 9928 1 17 . 1 1 47 47 GLU H H 47 9.000 9.000 8.986 0.014 18887 9929 1 17 . 1 1 48 48 ASN N N 48 120.510 120.510 122.979 -2.469 18887 9930 1 17 . 1 1 48 48 ASN HA H 48 4.230 4.230 4.301 -0.071 18887 9931 1 17 . 1 1 48 48 ASN C C 48 173.090 173.090 174.516 -1.426 18887 9932 1 17 . 1 1 48 48 ASN CA C 48 54.770 54.770 55.019 -0.249 18887 9933 1 17 . 1 1 48 48 ASN CB C 48 38.800 38.800 38.188 0.612 18887 9934 1 17 . 1 1 48 48 ASN H H 48 8.930 8.930 9.053 -0.123 18887 9935 1 17 . 1 1 49 49 GLU N N 49 114.160 114.160 120.241 -6.081 18887 9936 1 17 . 1 1 49 49 GLU HA H 49 3.890 3.890 4.144 -0.254 18887 9937 1 17 . 1 1 49 49 GLU C C 49 177.780 177.780 175.516 2.264 18887 9938 1 17 . 1 1 49 49 GLU CA C 49 57.870 57.870 57.046 0.824 18887 9939 1 17 . 1 1 49 49 GLU CB C 49 31.900 31.900 29.026 2.874 18887 9940 1 17 . 1 1 49 49 GLU H H 49 7.690 7.690 8.321 -0.631 18887 9941 1 17 . 1 1 50 50 LEU N N 50 109.440 109.440 127.855 -18.415 18887 9942 1 17 . 1 1 50 50 LEU HA H 50 4.680 4.680 4.528 0.152 18887 9943 1 17 . 1 1 50 50 LEU C C 50 177.490 177.490 177.296 0.194 18887 9944 1 17 . 1 1 50 50 LEU CA C 50 55.520 55.520 54.378 1.142 18887 9945 1 17 . 1 1 50 50 LEU CB C 50 43.440 43.440 41.971 1.470 18887 9946 1 17 . 1 1 50 50 LEU H H 50 9.560 9.560 9.657 -0.097 18887 9947 1 17 . 1 1 51 51 THR N N 51 117.490 117.490 116.280 1.210 18887 9948 1 17 . 1 1 51 51 THR HA H 51 4.420 4.420 4.243 0.177 18887 9949 1 17 . 1 1 51 51 THR C C 51 175.010 175.010 175.385 -0.375 18887 9950 1 17 . 1 1 51 51 THR CA C 51 61.230 61.230 60.637 0.593 18887 9951 1 17 . 1 1 51 51 THR CB C 51 72.860 72.860 70.271 2.589 18887 9952 1 17 . 1 1 51 51 THR H H 51 9.380 9.380 8.136 1.244 18887 9953 1 17 . 1 1 52 52 GLU N N 52 120.490 120.490 121.775 -1.285 18887 9954 1 17 . 1 1 52 52 GLU HA H 52 3.860 3.860 3.876 -0.016 18887 9955 1 17 . 1 1 52 52 GLU C C 52 178.660 178.660 178.628 0.032 18887 9956 1 17 . 1 1 52 52 GLU CA C 52 61.130 61.130 60.310 0.820 18887 9957 1 17 . 1 1 52 52 GLU CB C 52 30.280 30.280 28.987 1.293 18887 9958 1 17 . 1 1 52 52 GLU H H 52 8.910 8.910 8.876 0.034 18887 9959 1 17 . 1 1 53 53 LYS N N 53 118.660 118.660 117.730 0.930 18887 9960 1 17 . 1 1 53 53 LYS HA H 53 4.020 4.020 4.032 -0.012 18887 9961 1 17 . 1 1 53 53 LYS C C 53 178.190 178.190 178.452 -0.262 18887 9962 1 17 . 1 1 53 53 LYS CA C 53 60.390 60.390 59.127 1.264 18887 9963 1 17 . 1 1 53 53 LYS CB C 53 33.210 33.210 32.003 1.207 18887 9964 1 17 . 1 1 53 53 LYS H H 53 7.890 7.890 8.163 -0.273 18887 9965 1 17 . 1 1 54 54 ASP N N 54 118.400 118.400 119.496 -1.096 18887 9966 1 17 . 1 1 54 54 ASP HA H 54 4.200 4.200 4.456 -0.256 18887 9967 1 17 . 1 1 54 54 ASP C C 54 169.070 169.070 178.810 -9.740 18887 9968 1 17 . 1 1 54 54 ASP CA C 54 58.300 58.300 57.241 1.059 18887 9969 1 17 . 1 1 54 54 ASP CB C 54 43.110 43.110 40.967 2.143 18887 9970 1 17 . 1 1 54 54 ASP H H 54 7.440 7.440 7.627 -0.187 18887 9971 1 17 . 1 1 55 55 VAL N N 55 118.420 118.420 118.989 -0.569 18887 9972 1 17 . 1 1 55 55 VAL HA H 55 3.520 3.520 3.708 -0.188 18887 9973 1 17 . 1 1 55 55 VAL C C 55 176.980 176.980 176.985 -0.005 18887 9974 1 17 . 1 1 55 55 VAL CA C 55 66.950 66.950 66.165 0.785 18887 9975 1 17 . 1 1 55 55 VAL CB C 55 32.360 32.360 31.694 0.666 18887 9976 1 17 . 1 1 55 55 VAL H H 55 8.150 8.150 8.259 -0.109 18887 9977 1 17 . 1 1 56 56 ASN N N 56 117.100 117.100 115.210 1.890 18887 9978 1 17 . 1 1 56 56 ASN HA H 56 4.410 4.410 4.650 -0.240 18887 9979 1 17 . 1 1 56 56 ASN C C 56 177.330 177.330 175.391 1.939 18887 9980 1 17 . 1 1 56 56 ASN CA C 56 57.170 57.170 54.124 3.046 18887 9981 1 17 . 1 1 56 56 ASN CB C 56 39.930 39.930 38.750 1.180 18887 9982 1 17 . 1 1 56 56 ASN H H 56 8.000 8.000 7.688 0.312 18887 9983 1 17 . 1 1 57 57 ILE N N 57 115.580 115.580 119.928 -4.348 18887 9984 1 17 . 1 1 57 57 ILE HA H 57 3.950 3.950 4.104 -0.154 18887 9985 1 17 . 1 1 57 57 ILE C C 57 176.980 176.980 176.957 0.023 18887 9986 1 17 . 1 1 57 57 ILE CA C 57 63.240 63.240 61.858 1.382 18887 9987 1 17 . 1 1 57 57 ILE CB C 57 39.890 39.890 38.251 1.639 18887 9988 1 17 . 1 1 57 57 ILE H H 57 7.600 7.600 7.485 0.115 18887 9989 1 17 . 1 1 58 58 GLY N N 58 124.080 124.080 106.181 17.899 18887 9990 1 17 . 1 1 58 58 GLY C C 58 173.190 173.190 173.875 -0.685 18887 9991 1 17 . 1 1 58 58 GLY CA C 58 47.110 47.110 44.954 2.156 18887 9992 1 17 . 1 1 58 58 GLY H H 58 7.630 7.630 7.544 0.086 18887 9993 1 17 . 1 1 59 59 GLU N N 59 123.240 123.240 123.150 0.090 18887 9994 1 17 . 1 1 59 59 GLU HA H 59 4.240 4.240 4.338 -0.098 18887 9995 1 17 . 1 1 59 59 GLU C C 59 176.750 176.750 176.232 0.518 18887 9996 1 17 . 1 1 59 59 GLU CA C 59 59.830 59.830 56.615 3.215 18887 9997 1 17 . 1 1 59 59 GLU CB C 59 33.100 33.100 31.042 2.058 18887 9998 1 17 . 1 1 59 59 GLU H H 59 9.350 9.350 8.820 0.530 18887 9999 1 17 . 1 1 60 60 VAL N N 60 114.370 114.370 119.803 -5.433 18887 10000 1 17 . 1 1 60 60 VAL HA H 60 4.410 4.410 4.380 0.030 18887 10001 1 17 . 1 1 60 60 VAL C C 60 170.270 170.270 173.293 -3.023 18887 10002 1 17 . 1 1 60 60 VAL CA C 60 60.710 60.710 60.766 -0.056 18887 10003 1 17 . 1 1 60 60 VAL CB C 60 35.150 35.150 34.762 0.388 18887 10004 1 17 . 1 1 60 60 VAL H H 60 7.640 7.640 7.315 0.325 18887 10005 1 17 . 1 1 61 61 VAL N N 61 125.780 125.780 127.028 -1.248 18887 10006 1 17 . 1 1 61 61 VAL HA H 61 4.970 4.970 4.920 0.050 18887 10007 1 17 . 1 1 61 61 VAL C C 61 174.450 174.450 174.904 -0.454 18887 10008 1 17 . 1 1 61 61 VAL CA C 61 60.260 60.260 60.592 -0.332 18887 10009 1 17 . 1 1 61 61 VAL CB C 61 34.710 34.710 33.712 0.998 18887 10010 1 17 . 1 1 61 61 VAL H H 61 8.290 8.290 8.313 -0.023 18887 10011 1 17 . 1 1 62 62 ILE N N 62 124.740 124.740 125.635 -0.895 18887 10012 1 17 . 1 1 62 62 ILE HA H 62 4.820 4.820 4.659 0.161 18887 10013 1 17 . 1 1 62 62 ILE C C 62 175.020 175.020 174.346 0.674 18887 10014 1 17 . 1 1 62 62 ILE CA C 62 60.490 60.490 60.123 0.367 18887 10015 1 17 . 1 1 62 62 ILE CB C 62 42.560 42.560 40.121 2.439 18887 10016 1 17 . 1 1 62 62 ILE H H 62 8.580 8.580 8.747 -0.167 18887 10017 1 17 . 1 1 63 63 PHE N N 63 109.510 109.510 126.715 -17.205 18887 10018 1 17 . 1 1 63 63 PHE HA H 63 5.490 5.490 5.060 0.430 18887 10019 1 17 . 1 1 63 63 PHE C C 63 173.600 173.600 174.297 -0.697 18887 10020 1 17 . 1 1 63 63 PHE CA C 63 53.020 53.020 56.010 -2.990 18887 10021 1 17 . 1 1 63 63 PHE CB C 63 40.150 40.150 40.910 -0.760 18887 10022 1 17 . 1 1 63 63 PHE H H 63 9.320 9.320 9.382 -0.062 18887 10023 1 17 . 1 1 64 64 ALA N N 64 112.790 112.790 129.479 -16.689 18887 10024 1 17 . 1 1 64 64 ALA HA H 64 5.430 5.430 5.390 0.040 18887 10025 1 17 . 1 1 64 64 ALA C C 64 175.040 175.040 175.947 -0.907 18887 10026 1 17 . 1 1 64 64 ALA CA C 64 50.740 50.740 50.414 0.326 18887 10027 1 17 . 1 1 64 64 ALA CB C 64 19.690 19.690 19.113 0.578 18887 10028 1 17 . 1 1 64 64 ALA H H 64 8.840 8.840 8.735 0.105 18887 10029 1 17 . 1 1 65 65 VAL N N 65 110.260 110.260 117.905 -7.645 18887 10030 1 17 . 1 1 65 65 VAL HA H 65 5.690 5.690 5.280 0.410 18887 10031 1 17 . 1 1 65 65 VAL C C 65 175.380 175.380 174.220 1.160 18887 10032 1 17 . 1 1 65 65 VAL CA C 65 59.060 59.060 59.432 -0.372 18887 10033 1 17 . 1 1 65 65 VAL CB C 65 38.800 38.800 35.557 3.243 18887 10034 1 17 . 1 1 65 65 VAL H H 65 8.080 8.080 8.229 -0.149 18887 10035 1 17 . 1 1 66 66 ASP N N 66 119.250 119.250 121.552 -2.302 18887 10036 1 17 . 1 1 66 66 ASP HA H 66 4.870 4.870 4.891 -0.021 18887 10037 1 17 . 1 1 66 66 ASP C C 66 175.600 175.600 175.402 0.198 18887 10038 1 17 . 1 1 66 66 ASP CA C 66 53.780 53.780 54.100 -0.320 18887 10039 1 17 . 1 1 66 66 ASP CB C 66 42.910 42.910 42.496 0.414 18887 10040 1 17 . 1 1 66 66 ASP H H 66 7.760 7.760 8.567 -0.807 18887 10041 1 17 . 1 1 67 67 THR N N 67 112.330 112.330 111.751 0.579 18887 10042 1 17 . 1 1 67 67 THR HA H 67 4.510 4.510 4.391 0.119 18887 10043 1 17 . 1 1 67 67 THR C C 67 172.370 172.370 172.718 -0.348 18887 10044 1 17 . 1 1 67 67 THR CA C 67 59.650 59.650 61.042 -1.392 18887 10045 1 17 . 1 1 67 67 THR CB C 67 70.230 70.230 69.939 0.291 18887 10046 1 17 . 1 1 67 67 THR H H 67 7.070 7.070 7.483 -0.413 18887 10047 1 17 . 1 1 68 68 LYS N N 68 121.380 121.380 121.473 -0.093 18887 10048 1 17 . 1 1 68 68 LYS HA H 68 4.080 4.080 4.390 -0.310 18887 10049 1 17 . 1 1 68 68 LYS C C 68 176.250 176.250 174.697 1.553 18887 10050 1 17 . 1 1 68 68 LYS CA C 68 57.470 57.470 55.528 1.942 18887 10051 1 17 . 1 1 68 68 LYS CB C 68 34.020 34.020 33.531 0.489 18887 10052 1 17 . 1 1 68 68 LYS H H 68 7.540 7.540 8.216 -0.676 18887 10053 1 17 . 1 1 69 69 VAL N N 69 125.310 125.310 115.405 9.905 18887 10054 1 17 . 1 1 69 69 VAL HA H 69 3.320 3.320 4.462 -1.142 18887 10055 1 17 . 1 1 69 69 VAL C C 69 175.890 175.890 175.046 0.844 18887 10056 1 17 . 1 1 69 69 VAL CA C 69 64.110 64.110 59.247 4.863 18887 10057 1 17 . 1 1 69 69 VAL CB C 69 33.810 33.810 34.949 -1.139 18887 10058 1 17 . 1 1 69 69 VAL H H 69 8.320 8.320 7.952 0.368 18887 10059 1 17 . 1 1 70 70 ARG N N 70 111.240 111.240 122.075 -10.835 18887 10060 1 17 . 1 1 70 70 ARG HA H 70 4.160 4.160 4.427 -0.267 18887 10061 1 17 . 1 1 70 70 ARG C C 70 177.030 177.030 177.829 -0.799 18887 10062 1 17 . 1 1 70 70 ARG CA C 70 57.630 57.630 58.198 -0.568 18887 10063 1 17 . 1 1 70 70 ARG CB C 70 31.440 31.440 31.401 0.039 18887 10064 1 17 . 1 1 70 70 ARG H H 70 9.580 9.580 9.617 -0.037 18887 10065 1 17 . 1 1 71 71 ASN N N 71 120.660 120.660 118.800 1.860 18887 10066 1 17 . 1 1 71 71 ASN HA H 71 4.670 4.670 4.688 -0.018 18887 10067 1 17 . 1 1 71 71 ASN C C 71 177.530 177.530 177.021 0.509 18887 10068 1 17 . 1 1 71 71 ASN CA C 71 54.770 54.770 54.645 0.125 18887 10069 1 17 . 1 1 71 71 ASN CB C 71 37.130 37.130 38.027 -0.897 18887 10070 1 17 . 1 1 71 71 ASN H H 71 9.170 9.170 8.497 0.673 18887 10071 1 17 . 1 1 72 72 LYS N N 72 120.730 120.730 122.216 -1.486 18887 10072 1 17 . 1 1 72 72 LYS HA H 72 4.010 4.010 4.580 -0.570 18887 10073 1 17 . 1 1 72 72 LYS C C 72 177.790 177.790 177.960 -0.170 18887 10074 1 17 . 1 1 72 72 LYS CA C 72 59.910 59.910 59.969 -0.059 18887 10075 1 17 . 1 1 72 72 LYS CB C 72 33.260 33.260 32.352 0.908 18887 10076 1 17 . 1 1 72 72 LYS H H 72 8.400 8.400 8.369 0.031 18887 10077 1 17 . 1 1 73 73 GLU N N 73 122.670 122.670 116.717 5.953 18887 10078 1 17 . 1 1 73 73 GLU HA H 73 4.160 4.160 4.075 0.085 18887 10079 1 17 . 1 1 73 73 GLU C C 73 177.620 177.620 178.940 -1.320 18887 10080 1 17 . 1 1 73 73 GLU CA C 73 60.380 60.380 58.704 1.676 18887 10081 1 17 . 1 1 73 73 GLU CB C 73 28.660 28.660 29.098 -0.438 18887 10082 1 17 . 1 1 73 73 GLU H H 73 9.960 9.960 7.735 2.225 18887 10083 1 17 . 1 1 74 74 ARG N N 74 117.370 117.370 117.322 0.048 18887 10084 1 17 . 1 1 74 74 ARG HA H 74 3.770 3.770 4.203 -0.433 18887 10085 1 17 . 1 1 74 74 ARG C C 74 177.380 177.380 177.125 0.255 18887 10086 1 17 . 1 1 74 74 ARG CA C 74 59.010 59.010 57.515 1.495 18887 10087 1 17 . 1 1 74 74 ARG CB C 74 32.720 32.720 29.952 2.768 18887 10088 1 17 . 1 1 74 74 ARG H H 74 6.830 6.830 7.866 -1.036 18887 10089 1 17 . 1 1 75 75 PHE N N 75 112.920 112.920 117.210 -4.290 18887 10090 1 17 . 1 1 75 75 PHE HA H 75 4.280 4.280 4.663 -0.383 18887 10091 1 17 . 1 1 75 75 PHE C C 75 174.870 174.870 176.749 -1.879 18887 10092 1 17 . 1 1 75 75 PHE CA C 75 57.370 57.370 59.181 -1.811 18887 10093 1 17 . 1 1 75 75 PHE CB C 75 39.380 39.380 39.768 -0.388 18887 10094 1 17 . 1 1 75 75 PHE H H 75 7.670 7.670 7.686 -0.016 18887 10095 1 17 . 1 1 76 76 ASP N N 76 121.780 121.780 121.843 -0.063 18887 10096 1 17 . 1 1 76 76 ASP HA H 76 4.380 4.380 4.468 -0.088 18887 10097 1 17 . 1 1 76 76 ASP C C 76 177.380 177.380 177.553 -0.173 18887 10098 1 17 . 1 1 76 76 ASP CA C 76 57.700 57.700 57.219 0.481 18887 10099 1 17 . 1 1 76 76 ASP CB C 76 41.270 41.270 40.797 0.473 18887 10100 1 17 . 1 1 76 76 ASP H H 76 7.210 7.210 8.030 -0.820 18887 10101 1 17 . 1 1 77 77 GLY N N 77 111.910 111.910 106.144 5.766 18887 10102 1 17 . 1 1 77 77 GLY C C 77 174.310 174.310 174.247 0.063 18887 10103 1 17 . 1 1 77 77 GLY CA C 77 46.290 46.290 45.279 1.011 18887 10104 1 17 . 1 1 77 77 GLY H H 77 8.920 8.920 8.669 0.251 18887 10105 1 17 . 1 1 78 78 LYS N N 78 117.910 117.910 119.991 -2.081 18887 10106 1 17 . 1 1 78 78 LYS HA H 78 4.540 4.540 4.655 -0.115 18887 10107 1 17 . 1 1 78 78 LYS C C 78 175.910 175.910 175.900 0.010 18887 10108 1 17 . 1 1 78 78 LYS CA C 78 53.410 53.410 55.833 -2.423 18887 10109 1 17 . 1 1 78 78 LYS CB C 78 32.780 32.780 34.571 -1.791 18887 10110 1 17 . 1 1 78 78 LYS H H 78 7.700 7.700 7.616 0.084 18887 10111 1 17 . 1 1 79 79 VAL N N 79 124.500 124.500 120.513 3.987 18887 10112 1 17 . 1 1 79 79 VAL HA H 79 3.850 3.850 4.348 -0.498 18887 10113 1 17 . 1 1 79 79 VAL C C 79 174.140 174.140 174.304 -0.164 18887 10114 1 17 . 1 1 79 79 VAL CA C 79 64.810 64.810 61.885 2.925 18887 10115 1 17 . 1 1 79 79 VAL CB C 79 32.390 32.390 34.085 -1.695 18887 10116 1 17 . 1 1 79 79 VAL H H 79 8.890 8.890 8.451 0.439 18887 10117 1 17 . 1 1 80 80 VAL N N 80 125.810 125.810 126.921 -1.111 18887 10118 1 17 . 1 1 80 80 VAL HA H 80 4.690 4.690 4.494 0.196 18887 10119 1 17 . 1 1 80 80 VAL C C 80 175.270 175.270 174.984 0.286 18887 10120 1 17 . 1 1 80 80 VAL CA C 80 60.670 60.670 61.597 -0.927 18887 10121 1 17 . 1 1 80 80 VAL CB C 80 35.970 35.970 32.505 3.465 18887 10122 1 17 . 1 1 80 80 VAL H H 80 7.860 7.860 8.436 -0.576 18887 10123 1 17 . 1 1 81 81 LEU N N 81 110.550 110.550 130.670 -20.120 18887 10124 1 17 . 1 1 81 81 LEU HA H 81 4.490 4.490 4.731 -0.241 18887 10125 1 17 . 1 1 81 81 LEU C C 81 173.930 173.930 174.856 -0.926 18887 10126 1 17 . 1 1 81 81 LEU CA C 81 54.410 54.410 53.640 0.770 18887 10127 1 17 . 1 1 81 81 LEU CB C 81 45.100 45.100 42.244 2.856 18887 10128 1 17 . 1 1 81 81 LEU H H 81 8.790 8.790 8.997 -0.207 18887 10129 1 17 . 1 1 82 82 GLU N N 82 111.070 111.070 128.689 -17.619 18887 10130 1 17 . 1 1 82 82 GLU HA H 82 5.460 5.460 5.151 0.309 18887 10131 1 17 . 1 1 82 82 GLU C C 82 175.440 175.440 175.257 0.183 18887 10132 1 17 . 1 1 82 82 GLU CA C 82 56.010 56.010 55.335 0.675 18887 10133 1 17 . 1 1 82 82 GLU CB C 82 32.100 32.100 31.316 0.784 18887 10134 1 17 . 1 1 82 82 GLU H H 82 8.750 8.750 8.709 0.041 18887 10135 1 17 . 1 1 83 83 VAL N N 83 119.980 119.980 120.801 -0.821 18887 10136 1 17 . 1 1 83 83 VAL HA H 83 4.950 4.950 4.740 0.210 18887 10137 1 17 . 1 1 83 83 VAL C C 83 172.120 172.120 173.045 -0.925 18887 10138 1 17 . 1 1 83 83 VAL CA C 83 58.760 58.760 58.290 0.470 18887 10139 1 17 . 1 1 83 83 VAL CB C 83 34.570 34.570 34.042 0.528 18887 10140 1 17 . 1 1 83 83 VAL H H 83 9.390 9.390 9.140 0.250 18887 10141 1 17 . 1 1 84 84 PRO HA H 84 4.740 4.740 4.716 0.024 18887 10142 1 17 . 1 1 84 84 PRO C C 84 178.300 178.300 178.445 -0.145 18887 10143 1 17 . 1 1 84 84 PRO CA C 84 63.330 63.330 62.665 0.665 18887 10144 1 17 . 1 1 84 84 PRO CB C 84 33.430 33.430 32.256 1.174 18887 10145 1 17 . 1 1 85 85 VAL N N 85 122.390 122.390 121.938 0.452 18887 10146 1 17 . 1 1 85 85 VAL HA H 85 3.320 3.320 3.776 -0.456 18887 10147 1 17 . 1 1 85 85 VAL C C 85 174.190 174.190 176.267 -2.077 18887 10148 1 17 . 1 1 85 85 VAL CA C 85 66.540 66.540 64.523 2.017 18887 10149 1 17 . 1 1 85 85 VAL CB C 85 32.970 32.970 32.065 0.905 18887 10150 1 17 . 1 1 85 85 VAL H H 85 7.240 7.240 8.401 -1.161 18887 10151 1 17 . 1 1 86 86 SER N N 86 125.590 125.590 112.852 12.738 18887 10152 1 17 . 1 1 86 86 SER HA H 86 4.020 4.020 4.135 -0.115 18887 10153 1 17 . 1 1 86 86 SER C C 86 176.940 176.940 175.898 1.042 18887 10154 1 17 . 1 1 86 86 SER CA C 86 60.200 60.200 60.549 -0.349 18887 10155 1 17 . 1 1 86 86 SER CB C 86 64.060 64.060 62.770 1.290 18887 10156 1 17 . 1 1 86 86 SER H H 86 7.600 7.600 7.929 -0.329 18887 10157 1 17 . 1 1 87 87 ALA N N 87 125.200 125.200 125.572 -0.372 18887 10158 1 17 . 1 1 87 87 ALA HA H 87 4.280 4.280 4.279 0.001 18887 10159 1 17 . 1 1 87 87 ALA C C 87 177.370 177.370 176.036 1.334 18887 10160 1 17 . 1 1 87 87 ALA CA C 87 57.600 57.600 55.869 1.731 18887 10161 1 17 . 1 1 87 87 ALA CB C 87 16.620 16.620 16.420 0.200 18887 10162 1 17 . 1 1 87 87 ALA H H 87 7.870 7.870 7.724 0.146 18887 10163 1 17 . 1 1 88 88 PRO HA H 88 4.000 4.000 4.406 -0.406 18887 10164 1 17 . 1 1 88 88 PRO C C 88 175.090 175.090 177.095 -2.005 18887 10165 1 17 . 1 1 88 88 PRO CA C 88 65.410 65.410 64.497 0.913 18887 10166 1 17 . 1 1 88 88 PRO CB C 88 32.130 32.130 30.963 1.167 18887 10167 1 17 . 1 1 89 89 ILE N N 89 114.700 114.700 118.695 -3.995 18887 10168 1 17 . 1 1 89 89 ILE HA H 89 3.310 3.310 3.774 -0.464 18887 10169 1 17 . 1 1 89 89 ILE C C 89 177.850 177.850 176.790 1.060 18887 10170 1 17 . 1 1 89 89 ILE CA C 89 66.320 66.320 64.572 1.748 18887 10171 1 17 . 1 1 89 89 ILE CB C 89 38.790 38.790 38.003 0.787 18887 10172 1 17 . 1 1 89 89 ILE H H 89 6.300 6.300 7.376 -1.076 18887 10173 1 17 . 1 1 90 90 LYS N N 90 118.530 118.530 117.975 0.555 18887 10174 1 17 . 1 1 90 90 LYS HA H 90 4.060 4.060 4.279 -0.219 18887 10175 1 17 . 1 1 90 90 LYS C C 90 177.390 177.390 177.434 -0.044 18887 10176 1 17 . 1 1 90 90 LYS CA C 90 59.710 59.710 57.428 2.282 18887 10177 1 17 . 1 1 90 90 LYS CB C 90 33.940 33.940 33.494 0.446 18887 10178 1 17 . 1 1 90 90 LYS H H 90 7.440 7.440 7.477 -0.037 18887 10179 1 17 . 1 1 91 91 ASP N N 91 114.670 114.670 120.914 -6.244 18887 10180 1 17 . 1 1 91 91 ASP HA H 91 4.530 4.530 4.893 -0.363 18887 10181 1 17 . 1 1 91 91 ASP C C 91 174.350 174.350 175.946 -1.596 18887 10182 1 17 . 1 1 91 91 ASP CA C 91 55.120 55.120 53.246 1.874 18887 10183 1 17 . 1 1 91 91 ASP CB C 91 41.530 41.530 40.303 1.227 18887 10184 1 17 . 1 1 91 91 ASP H H 91 7.700 7.700 8.024 -0.324 18887 10185 1 17 . 1 1 92 92 ALA N N 92 111.350 111.350 123.047 -11.697 18887 10186 1 17 . 1 1 92 92 ALA HA H 92 3.830 3.830 3.933 -0.103 18887 10187 1 17 . 1 1 92 92 ALA C C 92 169.330 169.330 179.011 -9.681 18887 10188 1 17 . 1 1 92 92 ALA CA C 92 57.220 57.220 55.374 1.846 18887 10189 1 17 . 1 1 92 92 ALA CB C 92 20.700 20.700 18.518 2.182 18887 10190 1 17 . 1 1 92 92 ALA H H 92 8.860 8.860 8.279 0.581 18887 10191 1 17 . 1 1 93 93 GLU N N 93 117.860 117.860 117.360 0.500 18887 10192 1 17 . 1 1 93 93 GLU HA H 93 3.860 3.860 3.871 -0.011 18887 10193 1 17 . 1 1 93 93 GLU C C 93 177.970 177.970 178.968 -0.998 18887 10194 1 17 . 1 1 93 93 GLU CA C 93 61.240 61.240 59.646 1.594 18887 10195 1 17 . 1 1 93 93 GLU CB C 93 30.570 30.570 29.118 1.452 18887 10196 1 17 . 1 1 93 93 GLU H H 93 8.520 8.520 8.814 -0.294 18887 10197 1 17 . 1 1 94 94 LYS N N 94 119.790 119.790 119.111 0.679 18887 10198 1 17 . 1 1 94 94 LYS HA H 94 3.930 3.930 4.105 -0.175 18887 10199 1 17 . 1 1 94 94 LYS C C 94 169.840 169.840 179.258 -9.418 18887 10200 1 17 . 1 1 94 94 LYS CA C 94 60.600 60.600 58.868 1.732 18887 10201 1 17 . 1 1 94 94 LYS CB C 94 33.550 33.550 32.418 1.132 18887 10202 1 17 . 1 1 94 94 LYS H H 94 7.670 7.670 7.564 0.106 18887 10203 1 17 . 1 1 95 95 VAL N N 95 118.850 118.850 120.703 -1.853 18887 10204 1 17 . 1 1 95 95 VAL HA H 95 3.590 3.590 3.706 -0.116 18887 10205 1 17 . 1 1 95 95 VAL C C 95 176.620 176.620 177.759 -1.139 18887 10206 1 17 . 1 1 95 95 VAL CA C 95 67.220 67.220 66.481 0.739 18887 10207 1 17 . 1 1 95 95 VAL CB C 95 32.880 32.880 31.504 1.376 18887 10208 1 17 . 1 1 95 95 VAL H H 95 7.150 7.150 7.927 -0.777 18887 10209 1 17 . 1 1 96 96 ILE N N 96 119.120 119.120 120.571 -1.451 18887 10210 1 17 . 1 1 96 96 ILE HA H 96 3.380 3.380 3.535 -0.155 18887 10211 1 17 . 1 1 96 96 ILE C C 96 177.750 177.750 177.929 -0.179 18887 10212 1 17 . 1 1 96 96 ILE CA C 96 67.190 67.190 65.913 1.277 18887 10213 1 17 . 1 1 96 96 ILE CB C 96 38.440 38.440 37.427 1.013 18887 10214 1 17 . 1 1 96 96 ILE H H 96 8.380 8.380 8.640 -0.260 18887 10215 1 17 . 1 1 97 97 ASN N N 97 117.000 117.000 117.649 -0.649 18887 10216 1 17 . 1 1 97 97 ASN HA H 97 4.420 4.420 4.518 -0.098 18887 10217 1 17 . 1 1 97 97 ASN C C 97 178.380 178.380 177.515 0.865 18887 10218 1 17 . 1 1 97 97 ASN CA C 97 57.430 57.430 56.179 1.251 18887 10219 1 17 . 1 1 97 97 ASN CB C 97 39.030 39.030 38.389 0.641 18887 10220 1 17 . 1 1 97 97 ASN H H 97 8.730 8.730 8.071 0.659 18887 10221 1 17 . 1 1 98 98 ALA N N 98 123.790 123.790 123.177 0.613 18887 10222 1 17 . 1 1 98 98 ALA HA H 98 4.100 4.100 4.169 -0.069 18887 10223 1 17 . 1 1 98 98 ALA C C 98 169.600 169.600 178.890 -9.290 18887 10224 1 17 . 1 1 98 98 ALA CA C 98 55.890 55.890 54.876 1.014 18887 10225 1 17 . 1 1 98 98 ALA CB C 98 18.850 18.850 18.186 0.664 18887 10226 1 17 . 1 1 98 98 ALA H H 98 7.950 7.950 7.749 0.201 18887 10227 1 17 . 1 1 99 99 ALA N N 99 122.120 122.120 120.788 1.332 18887 10228 1 17 . 1 1 99 99 ALA HA H 99 3.930 3.930 4.050 -0.120 18887 10229 1 17 . 1 1 99 99 ALA C C 99 178.700 178.700 179.939 -1.239 18887 10230 1 17 . 1 1 99 99 ALA CA C 99 55.920 55.920 54.681 1.239 18887 10231 1 17 . 1 1 99 99 ALA CB C 99 18.960 18.960 18.593 0.367 18887 10232 1 17 . 1 1 99 99 ALA H H 99 7.930 7.930 7.517 0.413 18887 10233 1 17 . 1 1 100 100 LEU N N 100 115.870 115.870 119.415 -3.545 18887 10234 1 17 . 1 1 100 100 LEU HA H 100 3.900 3.900 4.077 -0.177 18887 10235 1 17 . 1 1 100 100 LEU C C 100 169.150 169.150 178.922 -9.772 18887 10236 1 17 . 1 1 100 100 LEU CA C 100 58.140 58.140 57.096 1.044 18887 10237 1 17 . 1 1 100 100 LEU CB C 100 41.730 41.730 40.606 1.124 18887 10238 1 17 . 1 1 100 100 LEU H H 100 8.220 8.220 7.830 0.390 18887 10239 1 17 . 1 1 101 101 ALA N N 101 120.410 120.410 120.938 -0.528 18887 10240 1 17 . 1 1 101 101 ALA HA H 101 4.100 4.100 4.252 -0.152 18887 10241 1 17 . 1 1 101 101 ALA C C 101 169.730 169.730 180.309 -10.579 18887 10242 1 17 . 1 1 101 101 ALA CA C 101 55.680 55.680 54.773 0.907 18887 10243 1 17 . 1 1 101 101 ALA CB C 101 18.860 18.860 18.128 0.732 18887 10244 1 17 . 1 1 101 101 ALA H H 101 7.970 7.970 8.021 -0.051 18887 10245 1 17 . 1 1 102 102 LEU N N 102 115.090 115.090 118.667 -3.577 18887 10246 1 17 . 1 1 102 102 LEU HA H 102 4.120 4.120 4.075 0.045 18887 10247 1 17 . 1 1 102 102 LEU C C 102 169.060 169.060 178.140 -9.080 18887 10248 1 17 . 1 1 102 102 LEU CA C 102 57.870 57.870 57.572 0.298 18887 10249 1 17 . 1 1 102 102 LEU CB C 102 43.730 43.730 42.101 1.629 18887 10250 1 17 . 1 1 102 102 LEU H H 102 7.330 7.330 7.600 -0.270 18887 10251 1 17 . 1 1 103 103 ILE N N 103 110.170 110.170 113.284 -3.114 18887 10252 1 17 . 1 1 103 103 ILE HA H 103 4.430 4.430 4.260 0.170 18887 10253 1 17 . 1 1 103 103 ILE C C 103 176.670 176.670 177.087 -0.417 18887 10254 1 17 . 1 1 103 103 ILE CA C 103 62.520 62.520 62.904 -0.384 18887 10255 1 17 . 1 1 103 103 ILE CB C 103 40.020 40.020 38.886 1.134 18887 10256 1 17 . 1 1 103 103 ILE H H 103 7.140 7.140 7.449 -0.309 18887 10257 1 17 . 1 1 104 104 ASP N N 104 122.560 122.560 119.491 3.069 18887 10258 1 17 . 1 1 104 104 ASP HA H 104 4.650 4.650 4.683 -0.033 18887 10259 1 17 . 1 1 104 104 ASP C C 104 176.670 176.670 175.533 1.137 18887 10260 1 17 . 1 1 104 104 ASP CA C 104 56.220 56.220 54.143 2.077 18887 10261 1 17 . 1 1 104 104 ASP CB C 104 42.080 42.080 42.658 -0.578 18887 10262 1 17 . 1 1 104 104 ASP H H 104 8.000 8.000 8.132 -0.132 18887 10263 1 17 . 1 1 105 105 GLU N N 105 120.750 120.750 117.154 3.596 18887 10264 1 17 . 1 1 105 105 GLU HA H 105 4.300 4.300 4.002 0.298 18887 10265 1 17 . 1 1 105 105 GLU C C 105 175.470 175.470 175.215 0.255 18887 10266 1 17 . 1 1 105 105 GLU CA C 105 57.640 57.640 57.639 0.001 18887 10267 1 17 . 1 1 105 105 GLU CB C 105 30.870 30.870 27.428 3.442 18887 10268 1 17 . 1 1 105 105 GLU H H 105 8.030 8.030 8.231 -0.201 18887 10269 1 18 . 1 1 2 2 LYS N N 2 120.950 120.950 124.558 -3.608 18887 10270 1 18 . 1 1 2 2 LYS HA H 2 4.330 4.330 4.733 -0.403 18887 10271 1 18 . 1 1 2 2 LYS C C 2 176.040 176.040 176.106 -0.066 18887 10272 1 18 . 1 1 2 2 LYS CA C 2 57.850 57.850 54.852 2.998 18887 10273 1 18 . 1 1 2 2 LYS CB C 2 33.480 33.480 31.116 2.364 18887 10274 1 18 . 1 1 2 2 LYS H H 2 8.220 8.220 8.585 -0.365 18887 10275 1 18 . 1 1 3 3 ARG N N 3 120.340 120.340 122.588 -2.248 18887 10276 1 18 . 1 1 3 3 ARG HA H 3 4.660 4.660 4.237 0.423 18887 10277 1 18 . 1 1 3 3 ARG C C 3 175.960 175.960 175.306 0.654 18887 10278 1 18 . 1 1 3 3 ARG CA C 3 53.810 53.810 55.583 -1.773 18887 10279 1 18 . 1 1 3 3 ARG CB C 3 29.710 29.710 31.013 -1.303 18887 10280 1 18 . 1 1 3 3 ARG H H 3 8.220 8.220 8.126 0.094 18887 10281 1 18 . 1 1 4 4 LYS N N 4 121.540 121.540 125.718 -4.178 18887 10282 1 18 . 1 1 4 4 LYS HA H 4 4.770 4.770 4.890 -0.120 18887 10283 1 18 . 1 1 4 4 LYS C C 4 174.820 174.820 176.294 -1.474 18887 10284 1 18 . 1 1 4 4 LYS CA C 4 57.230 57.230 55.688 1.542 18887 10285 1 18 . 1 1 4 4 LYS CB C 4 33.800 33.800 32.072 1.728 18887 10286 1 18 . 1 1 4 4 LYS H H 4 8.880 8.880 8.624 0.256 18887 10287 1 18 . 1 1 5 5 ILE N N 5 125.030 125.030 125.605 -0.575 18887 10288 1 18 . 1 1 5 5 ILE HA H 5 4.530 4.530 4.807 -0.277 18887 10289 1 18 . 1 1 5 5 ILE C C 5 175.420 175.420 174.354 1.066 18887 10290 1 18 . 1 1 5 5 ILE CA C 5 61.120 61.120 60.198 0.922 18887 10291 1 18 . 1 1 5 5 ILE CB C 5 41.880 41.880 41.780 0.100 18887 10292 1 18 . 1 1 5 5 ILE H H 5 8.760 8.760 9.183 -0.423 18887 10293 1 18 . 1 1 6 6 ILE N N 6 119.270 119.270 122.391 -3.121 18887 10294 1 18 . 1 1 6 6 ILE HA H 6 5.440 5.440 5.230 0.210 18887 10295 1 18 . 1 1 6 6 ILE C C 6 173.880 173.880 173.872 0.008 18887 10296 1 18 . 1 1 6 6 ILE CA C 6 60.480 60.480 58.267 2.213 18887 10297 1 18 . 1 1 6 6 ILE CB C 6 42.120 42.120 39.458 2.662 18887 10298 1 18 . 1 1 6 6 ILE H H 6 8.110 8.110 8.163 -0.053 18887 10299 1 18 . 1 1 7 7 ALA N N 7 122.330 122.330 129.116 -6.786 18887 10300 1 18 . 1 1 7 7 ALA HA H 7 5.780 5.780 5.262 0.518 18887 10301 1 18 . 1 1 7 7 ALA C C 7 173.950 173.950 175.137 -1.187 18887 10302 1 18 . 1 1 7 7 ALA CA C 7 51.280 51.280 50.081 1.199 18887 10303 1 18 . 1 1 7 7 ALA CB C 7 25.930 25.930 22.836 3.094 18887 10304 1 18 . 1 1 7 7 ALA H H 7 8.790 8.790 9.166 -0.376 18887 10305 1 18 . 1 1 8 8 VAL N N 8 119.860 119.860 123.391 -3.531 18887 10306 1 18 . 1 1 8 8 VAL HA H 8 5.190 5.190 4.490 0.700 18887 10307 1 18 . 1 1 8 8 VAL C C 8 175.590 175.590 174.898 0.692 18887 10308 1 18 . 1 1 8 8 VAL CA C 8 61.340 61.340 59.976 1.364 18887 10309 1 18 . 1 1 8 8 VAL CB C 8 36.650 36.650 33.771 2.879 18887 10310 1 18 . 1 1 8 8 VAL H H 8 8.950 8.950 8.187 0.763 18887 10311 1 18 . 1 1 9 9 THR N N 9 116.320 116.320 118.611 -2.291 18887 10312 1 18 . 1 1 9 9 THR HA H 9 5.500 5.500 5.426 0.074 18887 10313 1 18 . 1 1 9 9 THR C C 9 172.920 172.920 173.100 -0.180 18887 10314 1 18 . 1 1 9 9 THR CA C 9 59.470 59.470 59.230 0.240 18887 10315 1 18 . 1 1 9 9 THR CB C 9 71.510 71.510 69.964 1.546 18887 10316 1 18 . 1 1 9 9 THR H H 9 8.860 8.860 9.006 -0.146 18887 10317 1 18 . 1 1 10 10 ALA N N 10 121.780 121.780 129.050 -7.270 18887 10318 1 18 . 1 1 10 10 ALA HA H 10 4.800 4.800 5.551 -0.751 18887 10319 1 18 . 1 1 10 10 ALA C C 10 174.680 174.680 175.739 -1.059 18887 10320 1 18 . 1 1 10 10 ALA CA C 10 54.300 54.300 51.075 3.225 18887 10321 1 18 . 1 1 10 10 ALA CB C 10 22.940 22.940 22.544 0.396 18887 10322 1 18 . 1 1 10 10 ALA H H 10 7.710 7.710 8.581 -0.871 18887 10323 1 18 . 1 1 11 11 CYS N N 11 121.780 121.780 122.098 -0.318 18887 10324 1 18 . 1 1 11 11 CYS HA H 11 5.160 5.160 4.522 0.638 18887 10325 1 18 . 1 1 11 11 CYS C C 11 174.700 174.700 175.289 -0.589 18887 10326 1 18 . 1 1 11 11 CYS CA C 11 57.150 57.150 57.731 -0.581 18887 10327 1 18 . 1 1 11 11 CYS CB C 11 30.830 30.830 29.020 1.810 18887 10328 1 18 . 1 1 11 11 CYS H H 11 8.140 8.140 8.563 -0.423 18887 10329 1 18 . 1 1 12 12 ALA N N 12 113.900 113.900 123.373 -9.473 18887 10330 1 18 . 1 1 12 12 ALA HA H 12 4.220 4.220 3.860 0.360 18887 10331 1 18 . 1 1 12 12 ALA C C 12 168.950 168.950 177.097 -8.147 18887 10332 1 18 . 1 1 12 12 ALA CA C 12 55.270 55.270 54.345 0.925 18887 10333 1 18 . 1 1 12 12 ALA CB C 12 20.320 20.320 17.005 3.315 18887 10334 1 18 . 1 1 12 12 ALA H H 12 10.630 10.630 7.890 2.740 18887 10335 1 18 . 1 1 13 13 THR N N 13 109.490 109.490 113.906 -4.416 18887 10336 1 18 . 1 1 13 13 THR HA H 13 4.390 4.390 4.367 0.023 18887 10337 1 18 . 1 1 13 13 THR C C 13 174.870 174.870 174.482 0.388 18887 10338 1 18 . 1 1 13 13 THR CA C 13 62.910 62.910 61.917 0.993 18887 10339 1 18 . 1 1 13 13 THR CB C 13 70.640 70.640 68.004 2.636 18887 10340 1 18 . 1 1 13 13 THR H H 13 8.180 8.180 7.954 0.226 18887 10341 1 18 . 1 1 14 14 GLY N N 14 111.450 111.450 114.408 -2.958 18887 10342 1 18 . 1 1 14 14 GLY C C 14 173.680 173.680 174.771 -1.091 18887 10343 1 18 . 1 1 14 14 GLY CA C 14 47.050 47.050 45.168 1.882 18887 10344 1 18 . 1 1 14 14 GLY H H 14 7.880 7.880 7.757 0.123 18887 10345 1 18 . 1 1 15 15 VAL N N 15 119.530 119.530 118.375 1.155 18887 10346 1 18 . 1 1 15 15 VAL HA H 15 4.110 4.110 3.994 0.116 18887 10347 1 18 . 1 1 15 15 VAL C C 15 176.860 176.860 177.311 -0.451 18887 10348 1 18 . 1 1 15 15 VAL CA C 15 64.740 64.740 65.468 -0.728 18887 10349 1 18 . 1 1 15 15 VAL CB C 15 33.690 33.690 31.949 1.741 18887 10350 1 18 . 1 1 15 15 VAL H H 15 8.250 8.250 8.322 -0.072 18887 10351 1 18 . 1 1 16 16 ALA N N 16 123.230 123.230 122.213 1.017 18887 10352 1 18 . 1 1 16 16 ALA HA H 16 4.230 4.230 4.074 0.156 18887 10353 1 18 . 1 1 16 16 ALA C C 16 170.610 170.610 179.395 -8.785 18887 10354 1 18 . 1 1 16 16 ALA CA C 16 56.280 56.280 54.919 1.361 18887 10355 1 18 . 1 1 16 16 ALA CB C 16 19.320 19.320 18.183 1.137 18887 10356 1 18 . 1 1 16 16 ALA H H 16 8.430 8.430 8.267 0.163 18887 10357 1 18 . 1 1 17 17 HIS HA H 17 4.380 4.380 4.547 -0.167 18887 10358 1 18 . 1 1 17 17 HIS C C 17 177.260 177.260 177.946 -0.686 18887 10359 1 18 . 1 1 17 17 HIS CA C 17 60.060 60.060 59.450 0.611 18887 10360 1 18 . 1 1 17 17 HIS CB C 17 31.990 31.990 30.412 1.578 18887 10361 1 18 . 1 1 18 18 THR N N 18 115.830 115.830 118.340 -2.510 18887 10362 1 18 . 1 1 18 18 THR HA H 18 3.540 3.540 3.988 -0.448 18887 10363 1 18 . 1 1 18 18 THR C C 18 176.690 176.690 176.152 0.538 18887 10364 1 18 . 1 1 18 18 THR CA C 18 67.700 67.700 67.666 0.034 18887 10365 1 18 . 1 1 18 18 THR CB C 18 69.550 69.550 69.129 0.421 18887 10366 1 18 . 1 1 18 18 THR H H 18 7.590 7.590 8.279 -0.689 18887 10367 1 18 . 1 1 19 19 TYR N N 19 121.050 121.050 119.801 1.249 18887 10368 1 18 . 1 1 19 19 TYR HA H 19 4.340 4.340 4.301 0.039 18887 10369 1 18 . 1 1 19 19 TYR C C 19 178.420 178.420 177.839 0.581 18887 10370 1 18 . 1 1 19 19 TYR CA C 19 61.220 61.220 61.726 -0.506 18887 10371 1 18 . 1 1 19 19 TYR CB C 19 38.400 38.400 37.980 0.420 18887 10372 1 18 . 1 1 19 19 TYR H H 19 7.710 7.710 8.753 -1.043 18887 10373 1 18 . 1 1 20 20 MET N N 20 120.220 120.220 119.111 1.109 18887 10374 1 18 . 1 1 20 20 MET HA H 20 4.160 4.160 4.018 0.142 18887 10375 1 18 . 1 1 20 20 MET C C 20 169.550 169.550 177.816 -8.266 18887 10376 1 18 . 1 1 20 20 MET CA C 20 60.050 60.050 58.732 1.318 18887 10377 1 18 . 1 1 20 20 MET CB C 20 34.410 34.410 32.480 1.931 18887 10378 1 18 . 1 1 20 20 MET H H 20 8.470 8.470 7.831 0.639 18887 10379 1 18 . 1 1 21 21 ALA N N 21 122.280 122.280 121.737 0.543 18887 10380 1 18 . 1 1 21 21 ALA HA H 21 3.870 3.870 3.972 -0.102 18887 10381 1 18 . 1 1 21 21 ALA C C 21 178.630 178.630 179.151 -0.521 18887 10382 1 18 . 1 1 21 21 ALA CA C 21 56.760 56.760 55.175 1.585 18887 10383 1 18 . 1 1 21 21 ALA CB C 21 19.690 19.690 18.113 1.577 18887 10384 1 18 . 1 1 21 21 ALA H H 21 8.490 8.490 7.697 0.793 18887 10385 1 18 . 1 1 22 22 ALA N N 22 120.240 120.240 121.112 -0.872 18887 10386 1 18 . 1 1 22 22 ALA HA H 22 3.900 3.900 3.920 -0.020 18887 10387 1 18 . 1 1 22 22 ALA C C 22 169.200 169.200 180.084 -10.884 18887 10388 1 18 . 1 1 22 22 ALA CA C 22 56.880 56.880 55.011 1.869 18887 10389 1 18 . 1 1 22 22 ALA CB C 22 19.560 19.560 18.486 1.074 18887 10390 1 18 . 1 1 22 22 ALA H H 22 7.660 7.660 7.784 -0.124 18887 10391 1 18 . 1 1 23 23 GLN N N 23 116.680 116.680 117.933 -1.253 18887 10392 1 18 . 1 1 23 23 GLN HA H 23 3.940 3.940 4.144 -0.204 18887 10393 1 18 . 1 1 23 23 GLN C C 23 178.500 178.500 178.111 0.389 18887 10394 1 18 . 1 1 23 23 GLN CA C 23 59.550 59.550 58.094 1.456 18887 10395 1 18 . 1 1 23 23 GLN CB C 23 29.660 29.660 28.689 0.971 18887 10396 1 18 . 1 1 23 23 GLN H H 23 8.430 8.430 8.160 0.270 18887 10397 1 18 . 1 1 24 24 ALA N N 24 121.760 121.760 123.879 -2.119 18887 10398 1 18 . 1 1 24 24 ALA HA H 24 4.140 4.140 4.048 0.092 18887 10399 1 18 . 1 1 24 24 ALA C C 24 171.490 171.490 179.393 -7.903 18887 10400 1 18 . 1 1 24 24 ALA CA C 24 56.060 56.060 55.091 0.969 18887 10401 1 18 . 1 1 24 24 ALA CB C 24 19.760 19.760 18.405 1.355 18887 10402 1 18 . 1 1 24 24 ALA H H 24 8.130 8.130 8.555 -0.425 18887 10403 1 18 . 1 1 25 25 LEU N N 25 118.730 118.730 118.914 -0.184 18887 10404 1 18 . 1 1 25 25 LEU HA H 25 3.850 3.850 3.886 -0.036 18887 10405 1 18 . 1 1 25 25 LEU C C 25 177.990 177.990 179.145 -1.155 18887 10406 1 18 . 1 1 25 25 LEU CA C 25 59.280 59.280 57.840 1.440 18887 10407 1 18 . 1 1 25 25 LEU CB C 25 43.190 43.190 41.837 1.353 18887 10408 1 18 . 1 1 25 25 LEU H H 25 8.030 8.030 8.414 -0.384 18887 10409 1 18 . 1 1 26 26 LYS N N 26 118.850 118.850 118.889 -0.039 18887 10410 1 18 . 1 1 26 26 LYS HA H 26 3.840 3.840 3.897 -0.057 18887 10411 1 18 . 1 1 26 26 LYS C C 26 169.460 169.460 178.950 -9.490 18887 10412 1 18 . 1 1 26 26 LYS CA C 26 61.420 61.420 59.736 1.683 18887 10413 1 18 . 1 1 26 26 LYS CB C 26 33.440 33.440 32.018 1.422 18887 10414 1 18 . 1 1 26 26 LYS H H 26 8.000 8.000 7.444 0.556 18887 10415 1 18 . 1 1 27 27 LYS N N 27 120.350 120.350 119.227 1.123 18887 10416 1 18 . 1 1 27 27 LYS HA H 27 3.990 3.990 4.016 -0.026 18887 10417 1 18 . 1 1 27 27 LYS C C 27 169.670 169.670 179.215 -9.545 18887 10418 1 18 . 1 1 27 27 LYS CA C 27 60.700 60.700 59.092 1.608 18887 10419 1 18 . 1 1 27 27 LYS CB C 27 33.620 33.620 31.849 1.772 18887 10420 1 18 . 1 1 27 27 LYS H H 27 8.350 8.350 8.062 0.288 18887 10421 1 18 . 1 1 28 28 GLY N N 28 125.170 125.170 106.155 19.015 18887 10422 1 18 . 1 1 28 28 GLY C C 28 174.520 174.520 175.896 -1.376 18887 10423 1 18 . 1 1 28 28 GLY CA C 28 47.870 47.870 46.892 0.978 18887 10424 1 18 . 1 1 28 28 GLY H H 28 8.410 8.410 7.985 0.425 18887 10425 1 18 . 1 1 29 29 ALA N N 29 122.370 122.370 125.469 -3.099 18887 10426 1 18 . 1 1 29 29 ALA HA H 29 3.820 3.820 4.003 -0.183 18887 10427 1 18 . 1 1 29 29 ALA C C 29 169.050 169.050 179.212 -10.162 18887 10428 1 18 . 1 1 29 29 ALA CA C 29 56.840 56.840 54.942 1.898 18887 10429 1 18 . 1 1 29 29 ALA CB C 29 18.800 18.800 18.505 0.295 18887 10430 1 18 . 1 1 29 29 ALA H H 29 8.280 8.280 7.952 0.328 18887 10431 1 18 . 1 1 30 30 LYS N N 30 117.490 117.490 117.947 -0.457 18887 10432 1 18 . 1 1 30 30 LYS HA H 30 4.130 4.130 4.097 0.033 18887 10433 1 18 . 1 1 30 30 LYS C C 30 170.330 170.330 178.771 -8.441 18887 10434 1 18 . 1 1 30 30 LYS CA C 30 60.420 60.420 58.502 1.918 18887 10435 1 18 . 1 1 30 30 LYS CB C 30 33.230 33.230 32.081 1.149 18887 10436 1 18 . 1 1 30 30 LYS H H 30 7.720 7.720 8.364 -0.644 18887 10437 1 18 . 1 1 31 31 LYS N N 31 121.050 121.050 121.120 -0.070 18887 10438 1 18 . 1 1 31 31 LYS HA H 31 4.020 4.020 4.097 -0.077 18887 10439 1 18 . 1 1 31 31 LYS C C 31 178.160 178.160 178.307 -0.147 18887 10440 1 18 . 1 1 31 31 LYS CA C 31 60.360 60.360 58.828 1.532 18887 10441 1 18 . 1 1 31 31 LYS CB C 31 33.380 33.380 32.500 0.880 18887 10442 1 18 . 1 1 31 31 LYS H H 31 7.930 7.930 7.746 0.184 18887 10443 1 18 . 1 1 32 32 MET N N 32 114.620 114.620 114.699 -0.079 18887 10444 1 18 . 1 1 32 32 MET HA H 32 4.240 4.240 4.477 -0.237 18887 10445 1 18 . 1 1 32 32 MET C C 32 175.810 175.810 176.632 -0.822 18887 10446 1 18 . 1 1 32 32 MET CA C 32 57.400 57.400 56.106 1.294 18887 10447 1 18 . 1 1 32 32 MET CB C 32 37.710 37.710 33.525 4.185 18887 10448 1 18 . 1 1 32 32 MET H H 32 7.420 7.420 7.787 -0.367 18887 10449 1 18 . 1 1 33 33 GLY N N 33 124.900 124.900 107.271 17.629 18887 10450 1 18 . 1 1 33 33 GLY C C 33 174.340 174.340 173.570 0.770 18887 10451 1 18 . 1 1 33 33 GLY CA C 33 46.830 46.830 45.079 1.751 18887 10452 1 18 . 1 1 33 33 GLY H H 33 7.860 7.860 7.992 -0.132 18887 10453 1 18 . 1 1 34 34 ASN N N 34 116.070 116.070 117.834 -1.764 18887 10454 1 18 . 1 1 34 34 ASN HA H 34 5.210 5.210 5.204 0.006 18887 10455 1 18 . 1 1 34 34 ASN C C 34 173.080 173.080 174.838 -1.758 18887 10456 1 18 . 1 1 34 34 ASN CA C 34 52.770 52.770 52.513 0.257 18887 10457 1 18 . 1 1 34 34 ASN CB C 34 42.880 42.880 41.644 1.236 18887 10458 1 18 . 1 1 34 34 ASN H H 34 8.160 8.160 8.192 -0.032 18887 10459 1 18 . 1 1 35 35 LEU N N 35 121.450 121.450 121.794 -0.344 18887 10460 1 18 . 1 1 35 35 LEU HA H 35 4.620 4.620 4.700 -0.080 18887 10461 1 18 . 1 1 35 35 LEU C C 35 174.930 174.930 175.126 -0.196 18887 10462 1 18 . 1 1 35 35 LEU CA C 35 55.150 55.150 53.913 1.237 18887 10463 1 18 . 1 1 35 35 LEU CB C 35 44.760 44.760 43.225 1.535 18887 10464 1 18 . 1 1 35 35 LEU H H 35 8.770 8.770 8.469 0.301 18887 10465 1 18 . 1 1 36 36 ILE N N 36 119.690 119.690 124.429 -4.739 18887 10466 1 18 . 1 1 36 36 ILE HA H 36 5.660 5.660 5.206 0.454 18887 10467 1 18 . 1 1 36 36 ILE C C 36 172.620 172.620 174.944 -2.324 18887 10468 1 18 . 1 1 36 36 ILE CA C 36 59.410 59.410 58.810 0.600 18887 10469 1 18 . 1 1 36 36 ILE CB C 36 44.340 44.340 41.417 2.923 18887 10470 1 18 . 1 1 36 36 ILE H H 36 8.390 8.390 8.612 -0.222 18887 10471 1 18 . 1 1 37 37 LYS N N 37 126.230 126.230 128.853 -2.623 18887 10472 1 18 . 1 1 37 37 LYS HA H 37 4.590 4.590 4.675 -0.085 18887 10473 1 18 . 1 1 37 37 LYS C C 37 174.340 174.340 174.685 -0.345 18887 10474 1 18 . 1 1 37 37 LYS CA C 37 57.050 57.050 54.954 2.096 18887 10475 1 18 . 1 1 37 37 LYS CB C 37 36.860 36.860 34.041 2.819 18887 10476 1 18 . 1 1 37 37 LYS H H 37 7.210 7.210 9.055 -1.845 18887 10477 1 18 . 1 1 38 38 VAL N N 38 124.270 124.270 125.891 -1.621 18887 10478 1 18 . 1 1 38 38 VAL HA H 38 4.920 4.920 4.834 0.086 18887 10479 1 18 . 1 1 38 38 VAL C C 38 174.660 174.660 175.615 -0.955 18887 10480 1 18 . 1 1 38 38 VAL CA C 38 61.420 61.420 61.047 0.373 18887 10481 1 18 . 1 1 38 38 VAL CB C 38 35.020 35.020 32.730 2.290 18887 10482 1 18 . 1 1 38 38 VAL H H 38 8.760 8.760 8.674 0.086 18887 10483 1 18 . 1 1 39 39 GLU N N 39 114.800 114.800 128.353 -13.553 18887 10484 1 18 . 1 1 39 39 GLU HA H 39 5.020 5.020 4.674 0.346 18887 10485 1 18 . 1 1 39 39 GLU C C 39 175.680 175.680 175.735 -0.055 18887 10486 1 18 . 1 1 39 39 GLU CA C 39 55.680 55.680 54.615 1.065 18887 10487 1 18 . 1 1 39 39 GLU CB C 39 33.940 33.940 31.859 2.081 18887 10488 1 18 . 1 1 39 39 GLU H H 39 9.210 9.210 9.276 -0.066 18887 10489 1 18 . 1 1 40 40 THR N N 40 115.120 115.120 123.962 -8.842 18887 10490 1 18 . 1 1 40 40 THR HA H 40 5.180 5.180 4.400 0.780 18887 10491 1 18 . 1 1 40 40 THR C C 40 174.200 174.200 173.119 1.081 18887 10492 1 18 . 1 1 40 40 THR CA C 40 59.710 59.710 63.178 -3.468 18887 10493 1 18 . 1 1 40 40 THR CB C 40 71.270 71.270 68.608 2.662 18887 10494 1 18 . 1 1 40 40 THR H H 40 8.500 8.500 9.408 -0.908 18887 10495 1 18 . 1 1 41 41 GLN N N 41 119.850 119.850 128.503 -8.653 18887 10496 1 18 . 1 1 41 41 GLN HA H 41 4.990 4.990 4.996 -0.006 18887 10497 1 18 . 1 1 41 41 GLN C C 41 175.110 175.110 175.265 -0.155 18887 10498 1 18 . 1 1 41 41 GLN CA C 41 54.980 54.980 53.155 1.825 18887 10499 1 18 . 1 1 41 41 GLN CB C 41 29.780 29.780 31.876 -2.096 18887 10500 1 18 . 1 1 41 41 GLN H H 41 8.470 8.470 8.694 -0.224 18887 10501 1 18 . 1 1 42 42 GLY N N 42 109.530 109.530 114.421 -4.891 18887 10502 1 18 . 1 1 42 42 GLY C C 42 174.750 174.750 174.411 0.339 18887 10503 1 18 . 1 1 42 42 GLY CA C 42 45.630 45.630 45.925 -0.295 18887 10504 1 18 . 1 1 42 42 GLY H H 42 7.890 7.890 8.879 -0.989 18887 10505 1 18 . 1 1 43 43 ALA N N 43 123.850 123.850 119.704 4.146 18887 10506 1 18 . 1 1 43 43 ALA HA H 43 4.170 4.170 4.937 -0.767 18887 10507 1 18 . 1 1 43 43 ALA C C 43 169.490 169.490 176.730 -7.240 18887 10508 1 18 . 1 1 43 43 ALA CA C 43 56.170 56.170 54.075 2.095 18887 10509 1 18 . 1 1 43 43 ALA CB C 43 19.910 19.910 20.162 -0.252 18887 10510 1 18 . 1 1 43 43 ALA H H 43 8.730 8.730 8.205 0.525 18887 10511 1 18 . 1 1 44 44 THR N N 44 122.380 122.380 112.450 9.930 18887 10512 1 18 . 1 1 44 44 THR HA H 44 4.390 4.390 4.438 -0.048 18887 10513 1 18 . 1 1 44 44 THR C C 44 174.260 174.260 173.466 0.794 18887 10514 1 18 . 1 1 44 44 THR CA C 44 62.190 62.190 62.190 -0.000 18887 10515 1 18 . 1 1 44 44 THR CB C 44 70.080 70.080 69.597 0.483 18887 10516 1 18 . 1 1 44 44 THR H H 44 7.950 7.950 7.999 -0.049 18887 10517 1 18 . 1 1 45 45 GLY N N 45 109.360 109.360 109.298 0.062 18887 10518 1 18 . 1 1 45 45 GLY C C 45 172.380 172.380 172.070 0.310 18887 10519 1 18 . 1 1 45 45 GLY CA C 45 45.510 45.510 43.807 1.703 18887 10520 1 18 . 1 1 45 45 GLY H H 45 7.560 7.560 7.842 -0.282 18887 10521 1 18 . 1 1 46 46 ILE N N 46 122.050 122.050 123.296 -1.246 18887 10522 1 18 . 1 1 46 46 ILE HA H 46 4.780 4.780 4.856 -0.076 18887 10523 1 18 . 1 1 46 46 ILE C C 46 176.010 176.010 175.697 0.313 18887 10524 1 18 . 1 1 46 46 ILE CA C 46 61.950 61.950 60.178 1.772 18887 10525 1 18 . 1 1 46 46 ILE CB C 46 40.810 40.810 40.859 -0.049 18887 10526 1 18 . 1 1 46 46 ILE H H 46 8.480 8.480 8.430 0.050 18887 10527 1 18 . 1 1 47 47 GLU N N 47 109.160 109.160 127.467 -18.307 18887 10528 1 18 . 1 1 47 47 GLU HA H 47 4.660 4.660 4.226 0.434 18887 10529 1 18 . 1 1 47 47 GLU C C 47 174.750 174.750 176.748 -1.998 18887 10530 1 18 . 1 1 47 47 GLU CA C 47 55.940 55.940 58.022 -2.082 18887 10531 1 18 . 1 1 47 47 GLU CB C 47 33.640 33.640 30.352 3.288 18887 10532 1 18 . 1 1 47 47 GLU H H 47 9.000 9.000 8.961 0.039 18887 10533 1 18 . 1 1 48 48 ASN N N 48 120.510 120.510 117.451 3.059 18887 10534 1 18 . 1 1 48 48 ASN HA H 48 4.230 4.230 4.682 -0.452 18887 10535 1 18 . 1 1 48 48 ASN C C 48 173.090 173.090 174.268 -1.178 18887 10536 1 18 . 1 1 48 48 ASN CA C 48 54.770 54.770 53.851 0.919 18887 10537 1 18 . 1 1 48 48 ASN CB C 48 38.800 38.800 39.419 -0.619 18887 10538 1 18 . 1 1 48 48 ASN H H 48 8.930 8.930 7.968 0.962 18887 10539 1 18 . 1 1 49 49 GLU N N 49 114.160 114.160 118.680 -4.520 18887 10540 1 18 . 1 1 49 49 GLU HA H 49 3.890 3.890 4.185 -0.295 18887 10541 1 18 . 1 1 49 49 GLU C C 49 177.780 177.780 174.807 2.973 18887 10542 1 18 . 1 1 49 49 GLU CA C 49 57.870 57.870 56.923 0.947 18887 10543 1 18 . 1 1 49 49 GLU CB C 49 31.900 31.900 28.351 3.549 18887 10544 1 18 . 1 1 49 49 GLU H H 49 7.690 7.690 8.303 -0.613 18887 10545 1 18 . 1 1 50 50 LEU N N 50 109.440 109.440 125.799 -16.359 18887 10546 1 18 . 1 1 50 50 LEU HA H 50 4.680 4.680 4.324 0.356 18887 10547 1 18 . 1 1 50 50 LEU C C 50 177.490 177.490 177.092 0.398 18887 10548 1 18 . 1 1 50 50 LEU CA C 50 55.520 55.520 54.977 0.543 18887 10549 1 18 . 1 1 50 50 LEU CB C 50 43.440 43.440 41.928 1.512 18887 10550 1 18 . 1 1 50 50 LEU H H 50 9.560 9.560 9.633 -0.073 18887 10551 1 18 . 1 1 51 51 THR N N 51 117.490 117.490 115.067 2.423 18887 10552 1 18 . 1 1 51 51 THR HA H 51 4.420 4.420 4.530 -0.110 18887 10553 1 18 . 1 1 51 51 THR C C 51 175.010 175.010 175.398 -0.388 18887 10554 1 18 . 1 1 51 51 THR CA C 51 61.230 61.230 59.805 1.425 18887 10555 1 18 . 1 1 51 51 THR CB C 51 72.860 72.860 70.973 1.887 18887 10556 1 18 . 1 1 51 51 THR H H 51 9.380 9.380 8.458 0.922 18887 10557 1 18 . 1 1 52 52 GLU N N 52 120.490 120.490 121.681 -1.191 18887 10558 1 18 . 1 1 52 52 GLU HA H 52 3.860 3.860 3.872 -0.012 18887 10559 1 18 . 1 1 52 52 GLU C C 52 178.660 178.660 178.281 0.379 18887 10560 1 18 . 1 1 52 52 GLU CA C 52 61.130 61.130 60.155 0.975 18887 10561 1 18 . 1 1 52 52 GLU CB C 52 30.280 30.280 28.753 1.527 18887 10562 1 18 . 1 1 52 52 GLU H H 52 8.910 8.910 8.969 -0.059 18887 10563 1 18 . 1 1 53 53 LYS N N 53 118.660 118.660 117.238 1.422 18887 10564 1 18 . 1 1 53 53 LYS HA H 53 4.020 4.020 4.023 -0.003 18887 10565 1 18 . 1 1 53 53 LYS C C 53 178.190 178.190 178.993 -0.803 18887 10566 1 18 . 1 1 53 53 LYS CA C 53 60.390 60.390 59.050 1.340 18887 10567 1 18 . 1 1 53 53 LYS CB C 53 33.210 33.210 31.675 1.535 18887 10568 1 18 . 1 1 53 53 LYS H H 53 7.890 7.890 8.222 -0.332 18887 10569 1 18 . 1 1 54 54 ASP N N 54 118.400 118.400 119.892 -1.492 18887 10570 1 18 . 1 1 54 54 ASP HA H 54 4.200 4.200 4.427 -0.227 18887 10571 1 18 . 1 1 54 54 ASP C C 54 169.070 169.070 178.646 -9.576 18887 10572 1 18 . 1 1 54 54 ASP CA C 54 58.300 58.300 57.294 1.006 18887 10573 1 18 . 1 1 54 54 ASP CB C 54 43.110 43.110 40.890 2.220 18887 10574 1 18 . 1 1 54 54 ASP H H 54 7.440 7.440 7.494 -0.054 18887 10575 1 18 . 1 1 55 55 VAL N N 55 118.420 118.420 119.204 -0.784 18887 10576 1 18 . 1 1 55 55 VAL HA H 55 3.520 3.520 3.801 -0.281 18887 10577 1 18 . 1 1 55 55 VAL C C 55 176.980 176.980 177.145 -0.165 18887 10578 1 18 . 1 1 55 55 VAL CA C 55 66.950 66.950 65.671 1.278 18887 10579 1 18 . 1 1 55 55 VAL CB C 55 32.360 32.360 30.935 1.425 18887 10580 1 18 . 1 1 55 55 VAL H H 55 8.150 8.150 8.528 -0.378 18887 10581 1 18 . 1 1 56 56 ASN N N 56 117.100 117.100 114.788 2.312 18887 10582 1 18 . 1 1 56 56 ASN HA H 56 4.410 4.410 4.598 -0.188 18887 10583 1 18 . 1 1 56 56 ASN C C 56 177.330 177.330 176.399 0.931 18887 10584 1 18 . 1 1 56 56 ASN CA C 56 57.170 57.170 54.611 2.559 18887 10585 1 18 . 1 1 56 56 ASN CB C 56 39.930 39.930 39.267 0.663 18887 10586 1 18 . 1 1 56 56 ASN H H 56 8.000 8.000 7.897 0.103 18887 10587 1 18 . 1 1 57 57 ILE N N 57 115.580 115.580 118.936 -3.356 18887 10588 1 18 . 1 1 57 57 ILE HA H 57 3.950 3.950 4.005 -0.055 18887 10589 1 18 . 1 1 57 57 ILE C C 57 176.980 176.980 176.726 0.254 18887 10590 1 18 . 1 1 57 57 ILE CA C 57 63.240 63.240 62.720 0.520 18887 10591 1 18 . 1 1 57 57 ILE CB C 57 39.890 39.890 38.585 1.305 18887 10592 1 18 . 1 1 57 57 ILE H H 57 7.600 7.600 7.426 0.174 18887 10593 1 18 . 1 1 58 58 GLY N N 58 124.080 124.080 106.543 17.537 18887 10594 1 18 . 1 1 58 58 GLY C C 58 173.190 173.190 174.268 -1.078 18887 10595 1 18 . 1 1 58 58 GLY CA C 58 47.110 47.110 44.854 2.256 18887 10596 1 18 . 1 1 58 58 GLY H H 58 7.630 7.630 7.617 0.013 18887 10597 1 18 . 1 1 59 59 GLU N N 59 123.240 123.240 122.645 0.595 18887 10598 1 18 . 1 1 59 59 GLU HA H 59 4.240 4.240 4.281 -0.041 18887 10599 1 18 . 1 1 59 59 GLU C C 59 176.750 176.750 176.823 -0.073 18887 10600 1 18 . 1 1 59 59 GLU CA C 59 59.830 59.830 58.778 1.052 18887 10601 1 18 . 1 1 59 59 GLU CB C 59 33.100 33.100 30.849 2.251 18887 10602 1 18 . 1 1 59 59 GLU H H 59 9.350 9.350 8.841 0.509 18887 10603 1 18 . 1 1 60 60 VAL N N 60 114.370 114.370 110.784 3.586 18887 10604 1 18 . 1 1 60 60 VAL HA H 60 4.410 4.410 4.563 -0.153 18887 10605 1 18 . 1 1 60 60 VAL C C 60 170.270 170.270 174.088 -3.818 18887 10606 1 18 . 1 1 60 60 VAL CA C 60 60.710 60.710 60.001 0.709 18887 10607 1 18 . 1 1 60 60 VAL CB C 60 35.150 35.150 35.081 0.069 18887 10608 1 18 . 1 1 60 60 VAL H H 60 7.640 7.640 7.244 0.396 18887 10609 1 18 . 1 1 61 61 VAL N N 61 125.780 125.780 121.570 4.210 18887 10610 1 18 . 1 1 61 61 VAL HA H 61 4.970 4.970 5.035 -0.065 18887 10611 1 18 . 1 1 61 61 VAL C C 61 174.450 174.450 175.381 -0.931 18887 10612 1 18 . 1 1 61 61 VAL CA C 61 60.260 60.260 60.530 -0.270 18887 10613 1 18 . 1 1 61 61 VAL CB C 61 34.710 34.710 33.564 1.146 18887 10614 1 18 . 1 1 61 61 VAL H H 61 8.290 8.290 8.770 -0.480 18887 10615 1 18 . 1 1 62 62 ILE N N 62 124.740 124.740 127.629 -2.889 18887 10616 1 18 . 1 1 62 62 ILE HA H 62 4.820 4.820 4.369 0.451 18887 10617 1 18 . 1 1 62 62 ILE C C 62 175.020 175.020 174.460 0.560 18887 10618 1 18 . 1 1 62 62 ILE CA C 62 60.490 60.490 60.582 -0.092 18887 10619 1 18 . 1 1 62 62 ILE CB C 62 42.560 42.560 38.913 3.647 18887 10620 1 18 . 1 1 62 62 ILE H H 62 8.580 8.580 8.891 -0.311 18887 10621 1 18 . 1 1 63 63 PHE N N 63 109.510 109.510 128.676 -19.166 18887 10622 1 18 . 1 1 63 63 PHE HA H 63 5.490 5.490 4.850 0.640 18887 10623 1 18 . 1 1 63 63 PHE C C 63 173.600 173.600 174.101 -0.501 18887 10624 1 18 . 1 1 63 63 PHE CA C 63 53.020 53.020 56.360 -3.340 18887 10625 1 18 . 1 1 63 63 PHE CB C 63 40.150 40.150 40.556 -0.406 18887 10626 1 18 . 1 1 63 63 PHE H H 63 9.320 9.320 9.273 0.047 18887 10627 1 18 . 1 1 64 64 ALA N N 64 112.790 112.790 129.956 -17.166 18887 10628 1 18 . 1 1 64 64 ALA HA H 64 5.430 5.430 5.499 -0.069 18887 10629 1 18 . 1 1 64 64 ALA C C 64 175.040 175.040 175.855 -0.815 18887 10630 1 18 . 1 1 64 64 ALA CA C 64 50.740 50.740 50.126 0.614 18887 10631 1 18 . 1 1 64 64 ALA CB C 64 19.690 19.690 19.119 0.571 18887 10632 1 18 . 1 1 64 64 ALA H H 64 8.840 8.840 8.513 0.327 18887 10633 1 18 . 1 1 65 65 VAL N N 65 110.260 110.260 117.773 -7.513 18887 10634 1 18 . 1 1 65 65 VAL HA H 65 5.690 5.690 5.063 0.627 18887 10635 1 18 . 1 1 65 65 VAL C C 65 175.380 175.380 174.377 1.003 18887 10636 1 18 . 1 1 65 65 VAL CA C 65 59.060 59.060 60.661 -1.601 18887 10637 1 18 . 1 1 65 65 VAL CB C 65 38.800 38.800 35.486 3.314 18887 10638 1 18 . 1 1 65 65 VAL H H 65 8.080 8.080 7.904 0.176 18887 10639 1 18 . 1 1 66 66 ASP N N 66 119.250 119.250 125.860 -6.610 18887 10640 1 18 . 1 1 66 66 ASP HA H 66 4.870 4.870 4.936 -0.066 18887 10641 1 18 . 1 1 66 66 ASP C C 66 175.600 175.600 175.816 -0.216 18887 10642 1 18 . 1 1 66 66 ASP CA C 66 53.780 53.780 55.024 -1.244 18887 10643 1 18 . 1 1 66 66 ASP CB C 66 42.910 42.910 43.244 -0.334 18887 10644 1 18 . 1 1 66 66 ASP H H 66 7.760 7.760 9.111 -1.351 18887 10645 1 18 . 1 1 67 67 THR N N 67 112.330 112.330 112.090 0.240 18887 10646 1 18 . 1 1 67 67 THR HA H 67 4.510 4.510 4.512 -0.002 18887 10647 1 18 . 1 1 67 67 THR C C 67 172.370 172.370 173.152 -0.782 18887 10648 1 18 . 1 1 67 67 THR CA C 67 59.650 59.650 60.034 -0.384 18887 10649 1 18 . 1 1 67 67 THR CB C 67 70.230 70.230 70.991 -0.761 18887 10650 1 18 . 1 1 67 67 THR H H 67 7.070 7.070 7.424 -0.354 18887 10651 1 18 . 1 1 68 68 LYS N N 68 121.380 121.380 120.832 0.548 18887 10652 1 18 . 1 1 68 68 LYS HA H 68 4.080 4.080 4.406 -0.326 18887 10653 1 18 . 1 1 68 68 LYS C C 68 176.250 176.250 175.316 0.934 18887 10654 1 18 . 1 1 68 68 LYS CA C 68 57.470 57.470 56.549 0.921 18887 10655 1 18 . 1 1 68 68 LYS CB C 68 34.020 34.020 33.312 0.708 18887 10656 1 18 . 1 1 68 68 LYS H H 68 7.540 7.540 8.445 -0.905 18887 10657 1 18 . 1 1 69 69 VAL N N 69 125.310 125.310 123.689 1.621 18887 10658 1 18 . 1 1 69 69 VAL HA H 69 3.320 3.320 4.417 -1.097 18887 10659 1 18 . 1 1 69 69 VAL C C 69 175.890 175.890 175.281 0.609 18887 10660 1 18 . 1 1 69 69 VAL CA C 69 64.110 64.110 61.103 3.007 18887 10661 1 18 . 1 1 69 69 VAL CB C 69 33.810 33.810 34.094 -0.284 18887 10662 1 18 . 1 1 69 69 VAL H H 69 8.320 8.320 8.417 -0.097 18887 10663 1 18 . 1 1 70 70 ARG N N 70 111.240 111.240 125.625 -14.385 18887 10664 1 18 . 1 1 70 70 ARG HA H 70 4.160 4.160 4.356 -0.196 18887 10665 1 18 . 1 1 70 70 ARG C C 70 177.030 177.030 177.218 -0.188 18887 10666 1 18 . 1 1 70 70 ARG CA C 70 57.630 57.630 57.939 -0.309 18887 10667 1 18 . 1 1 70 70 ARG CB C 70 31.440 31.440 30.277 1.163 18887 10668 1 18 . 1 1 70 70 ARG H H 70 9.580 9.580 8.620 0.960 18887 10669 1 18 . 1 1 71 71 ASN N N 71 120.660 120.660 118.898 1.762 18887 10670 1 18 . 1 1 71 71 ASN HA H 71 4.670 4.670 4.743 -0.073 18887 10671 1 18 . 1 1 71 71 ASN C C 71 177.530 177.530 176.806 0.724 18887 10672 1 18 . 1 1 71 71 ASN CA C 71 54.770 54.770 53.954 0.816 18887 10673 1 18 . 1 1 71 71 ASN CB C 71 37.130 37.130 38.091 -0.961 18887 10674 1 18 . 1 1 71 71 ASN H H 71 9.170 9.170 8.728 0.442 18887 10675 1 18 . 1 1 72 72 LYS N N 72 120.730 120.730 120.769 -0.039 18887 10676 1 18 . 1 1 72 72 LYS HA H 72 4.010 4.010 4.558 -0.548 18887 10677 1 18 . 1 1 72 72 LYS C C 72 177.790 177.790 177.922 -0.132 18887 10678 1 18 . 1 1 72 72 LYS CA C 72 59.910 59.910 59.256 0.654 18887 10679 1 18 . 1 1 72 72 LYS CB C 72 33.260 33.260 32.389 0.871 18887 10680 1 18 . 1 1 72 72 LYS H H 72 8.400 8.400 8.076 0.324 18887 10681 1 18 . 1 1 73 73 GLU N N 73 122.670 122.670 118.624 4.046 18887 10682 1 18 . 1 1 73 73 GLU HA H 73 4.160 4.160 4.029 0.131 18887 10683 1 18 . 1 1 73 73 GLU C C 73 177.620 177.620 179.428 -1.808 18887 10684 1 18 . 1 1 73 73 GLU CA C 73 60.380 60.380 59.104 1.276 18887 10685 1 18 . 1 1 73 73 GLU CB C 73 28.660 28.660 29.392 -0.732 18887 10686 1 18 . 1 1 73 73 GLU H H 73 9.960 9.960 7.743 2.217 18887 10687 1 18 . 1 1 74 74 ARG N N 74 117.370 117.370 117.425 -0.055 18887 10688 1 18 . 1 1 74 74 ARG HA H 74 3.770 3.770 3.957 -0.187 18887 10689 1 18 . 1 1 74 74 ARG C C 74 177.380 177.380 177.523 -0.143 18887 10690 1 18 . 1 1 74 74 ARG CA C 74 59.010 59.010 59.127 -0.117 18887 10691 1 18 . 1 1 74 74 ARG CB C 74 32.720 32.720 30.231 2.489 18887 10692 1 18 . 1 1 74 74 ARG H H 74 6.830 6.830 7.947 -1.117 18887 10693 1 18 . 1 1 75 75 PHE N N 75 112.920 112.920 114.637 -1.717 18887 10694 1 18 . 1 1 75 75 PHE HA H 75 4.280 4.280 4.463 -0.183 18887 10695 1 18 . 1 1 75 75 PHE C C 75 174.870 174.870 177.762 -2.892 18887 10696 1 18 . 1 1 75 75 PHE CA C 75 57.370 57.370 59.349 -1.979 18887 10697 1 18 . 1 1 75 75 PHE CB C 75 39.380 39.380 37.862 1.518 18887 10698 1 18 . 1 1 75 75 PHE H H 75 7.670 7.670 7.818 -0.148 18887 10699 1 18 . 1 1 76 76 ASP N N 76 121.780 121.780 121.983 -0.203 18887 10700 1 18 . 1 1 76 76 ASP HA H 76 4.380 4.380 4.388 -0.008 18887 10701 1 18 . 1 1 76 76 ASP C C 76 177.380 177.380 177.185 0.195 18887 10702 1 18 . 1 1 76 76 ASP CA C 76 57.700 57.700 56.766 0.934 18887 10703 1 18 . 1 1 76 76 ASP CB C 76 41.270 41.270 40.661 0.609 18887 10704 1 18 . 1 1 76 76 ASP H H 76 7.210 7.210 7.769 -0.559 18887 10705 1 18 . 1 1 77 77 GLY N N 77 111.910 111.910 107.109 4.801 18887 10706 1 18 . 1 1 77 77 GLY C C 77 174.310 174.310 174.115 0.195 18887 10707 1 18 . 1 1 77 77 GLY CA C 77 46.290 46.290 44.949 1.341 18887 10708 1 18 . 1 1 77 77 GLY H H 77 8.920 8.920 8.169 0.751 18887 10709 1 18 . 1 1 78 78 LYS N N 78 117.910 117.910 119.709 -1.799 18887 10710 1 18 . 1 1 78 78 LYS HA H 78 4.540 4.540 4.614 -0.074 18887 10711 1 18 . 1 1 78 78 LYS C C 78 175.910 175.910 175.288 0.622 18887 10712 1 18 . 1 1 78 78 LYS CA C 78 53.410 53.410 54.304 -0.894 18887 10713 1 18 . 1 1 78 78 LYS CB C 78 32.780 32.780 34.763 -1.983 18887 10714 1 18 . 1 1 78 78 LYS H H 78 7.700 7.700 7.639 0.061 18887 10715 1 18 . 1 1 79 79 VAL N N 79 124.500 124.500 122.702 1.798 18887 10716 1 18 . 1 1 79 79 VAL HA H 79 3.850 3.850 4.204 -0.354 18887 10717 1 18 . 1 1 79 79 VAL C C 79 174.140 174.140 174.002 0.138 18887 10718 1 18 . 1 1 79 79 VAL CA C 79 64.810 64.810 62.225 2.585 18887 10719 1 18 . 1 1 79 79 VAL CB C 79 32.390 32.390 31.012 1.378 18887 10720 1 18 . 1 1 79 79 VAL H H 79 8.890 8.890 8.722 0.168 18887 10721 1 18 . 1 1 80 80 VAL N N 80 125.810 125.810 129.735 -3.925 18887 10722 1 18 . 1 1 80 80 VAL HA H 80 4.690 4.690 4.801 -0.111 18887 10723 1 18 . 1 1 80 80 VAL C C 80 175.270 175.270 175.328 -0.058 18887 10724 1 18 . 1 1 80 80 VAL CA C 80 60.670 60.670 60.993 -0.323 18887 10725 1 18 . 1 1 80 80 VAL CB C 80 35.970 35.970 33.341 2.629 18887 10726 1 18 . 1 1 80 80 VAL H H 80 7.860 7.860 8.066 -0.206 18887 10727 1 18 . 1 1 81 81 LEU N N 81 110.550 110.550 130.372 -19.822 18887 10728 1 18 . 1 1 81 81 LEU HA H 81 4.490 4.490 4.744 -0.254 18887 10729 1 18 . 1 1 81 81 LEU C C 81 173.930 173.930 174.956 -1.026 18887 10730 1 18 . 1 1 81 81 LEU CA C 81 54.410 54.410 53.756 0.654 18887 10731 1 18 . 1 1 81 81 LEU CB C 81 45.100 45.100 44.630 0.470 18887 10732 1 18 . 1 1 81 81 LEU H H 81 8.790 8.790 9.132 -0.342 18887 10733 1 18 . 1 1 82 82 GLU N N 82 111.070 111.070 128.645 -17.575 18887 10734 1 18 . 1 1 82 82 GLU HA H 82 5.460 5.460 4.790 0.670 18887 10735 1 18 . 1 1 82 82 GLU C C 82 175.440 175.440 175.293 0.147 18887 10736 1 18 . 1 1 82 82 GLU CA C 82 56.010 56.010 55.574 0.436 18887 10737 1 18 . 1 1 82 82 GLU CB C 82 32.100 32.100 30.559 1.541 18887 10738 1 18 . 1 1 82 82 GLU H H 82 8.750 8.750 8.738 0.012 18887 10739 1 18 . 1 1 83 83 VAL N N 83 119.980 119.980 125.384 -5.404 18887 10740 1 18 . 1 1 83 83 VAL HA H 83 4.950 4.950 4.713 0.237 18887 10741 1 18 . 1 1 83 83 VAL C C 83 172.120 172.120 173.195 -1.075 18887 10742 1 18 . 1 1 83 83 VAL CA C 83 58.760 58.760 58.416 0.344 18887 10743 1 18 . 1 1 83 83 VAL CB C 83 34.570 34.570 34.501 0.069 18887 10744 1 18 . 1 1 83 83 VAL H H 83 9.390 9.390 8.874 0.516 18887 10745 1 18 . 1 1 84 84 PRO HA H 84 4.740 4.740 4.511 0.229 18887 10746 1 18 . 1 1 84 84 PRO C C 84 178.300 178.300 177.777 0.523 18887 10747 1 18 . 1 1 84 84 PRO CA C 84 63.330 63.330 63.309 0.022 18887 10748 1 18 . 1 1 84 84 PRO CB C 84 33.430 33.430 32.111 1.319 18887 10749 1 18 . 1 1 85 85 VAL N N 85 122.390 122.390 122.815 -0.425 18887 10750 1 18 . 1 1 85 85 VAL HA H 85 3.320 3.320 3.748 -0.428 18887 10751 1 18 . 1 1 85 85 VAL C C 85 174.190 174.190 176.354 -2.164 18887 10752 1 18 . 1 1 85 85 VAL CA C 85 66.540 66.540 64.629 1.911 18887 10753 1 18 . 1 1 85 85 VAL CB C 85 32.970 32.970 32.110 0.860 18887 10754 1 18 . 1 1 85 85 VAL H H 85 7.240 7.240 8.855 -1.615 18887 10755 1 18 . 1 1 86 86 SER N N 86 125.590 125.590 114.430 11.160 18887 10756 1 18 . 1 1 86 86 SER HA H 86 4.020 4.020 4.352 -0.332 18887 10757 1 18 . 1 1 86 86 SER C C 86 176.940 176.940 176.119 0.821 18887 10758 1 18 . 1 1 86 86 SER CA C 86 60.200 60.200 61.389 -1.189 18887 10759 1 18 . 1 1 86 86 SER CB C 86 64.060 64.060 63.283 0.777 18887 10760 1 18 . 1 1 86 86 SER H H 86 7.600 7.600 8.254 -0.654 18887 10761 1 18 . 1 1 87 87 ALA N N 87 125.200 125.200 124.761 0.439 18887 10762 1 18 . 1 1 87 87 ALA HA H 87 4.280 4.280 4.247 0.033 18887 10763 1 18 . 1 1 87 87 ALA C C 87 177.370 177.370 175.966 1.404 18887 10764 1 18 . 1 1 87 87 ALA CA C 87 57.600 57.600 56.467 1.133 18887 10765 1 18 . 1 1 87 87 ALA CB C 87 16.620 16.620 16.465 0.155 18887 10766 1 18 . 1 1 87 87 ALA H H 87 7.870 7.870 7.988 -0.118 18887 10767 1 18 . 1 1 88 88 PRO HA H 88 4.000 4.000 4.308 -0.308 18887 10768 1 18 . 1 1 88 88 PRO C C 88 175.090 175.090 177.119 -2.029 18887 10769 1 18 . 1 1 88 88 PRO CA C 88 65.410 65.410 64.928 0.482 18887 10770 1 18 . 1 1 88 88 PRO CB C 88 32.130 32.130 31.058 1.072 18887 10771 1 18 . 1 1 89 89 ILE N N 89 114.700 114.700 117.114 -2.414 18887 10772 1 18 . 1 1 89 89 ILE HA H 89 3.310 3.310 3.974 -0.664 18887 10773 1 18 . 1 1 89 89 ILE C C 89 177.850 177.850 177.264 0.586 18887 10774 1 18 . 1 1 89 89 ILE CA C 89 66.320 66.320 63.425 2.895 18887 10775 1 18 . 1 1 89 89 ILE CB C 89 38.790 38.790 38.062 0.728 18887 10776 1 18 . 1 1 89 89 ILE H H 89 6.300 6.300 7.393 -1.093 18887 10777 1 18 . 1 1 90 90 LYS N N 90 118.530 118.530 118.344 0.186 18887 10778 1 18 . 1 1 90 90 LYS HA H 90 4.060 4.060 4.384 -0.324 18887 10779 1 18 . 1 1 90 90 LYS C C 90 177.390 177.390 177.370 0.020 18887 10780 1 18 . 1 1 90 90 LYS CA C 90 59.710 59.710 57.762 1.948 18887 10781 1 18 . 1 1 90 90 LYS CB C 90 33.940 33.940 33.912 0.028 18887 10782 1 18 . 1 1 90 90 LYS H H 90 7.440 7.440 7.643 -0.203 18887 10783 1 18 . 1 1 91 91 ASP N N 91 114.670 114.670 119.921 -5.251 18887 10784 1 18 . 1 1 91 91 ASP HA H 91 4.530 4.530 4.954 -0.424 18887 10785 1 18 . 1 1 91 91 ASP C C 91 174.350 174.350 175.756 -1.406 18887 10786 1 18 . 1 1 91 91 ASP CA C 91 55.120 55.120 53.869 1.251 18887 10787 1 18 . 1 1 91 91 ASP CB C 91 41.530 41.530 41.623 -0.093 18887 10788 1 18 . 1 1 91 91 ASP H H 91 7.700 7.700 8.257 -0.557 18887 10789 1 18 . 1 1 92 92 ALA N N 92 111.350 111.350 123.156 -11.806 18887 10790 1 18 . 1 1 92 92 ALA HA H 92 3.830 3.830 3.905 -0.075 18887 10791 1 18 . 1 1 92 92 ALA C C 92 169.330 169.330 179.037 -9.707 18887 10792 1 18 . 1 1 92 92 ALA CA C 92 57.220 57.220 55.936 1.284 18887 10793 1 18 . 1 1 92 92 ALA CB C 92 20.700 20.700 18.668 2.033 18887 10794 1 18 . 1 1 92 92 ALA H H 92 8.860 8.860 8.294 0.566 18887 10795 1 18 . 1 1 93 93 GLU N N 93 117.860 117.860 117.357 0.503 18887 10796 1 18 . 1 1 93 93 GLU HA H 93 3.860 3.860 4.001 -0.141 18887 10797 1 18 . 1 1 93 93 GLU C C 93 177.970 177.970 178.569 -0.599 18887 10798 1 18 . 1 1 93 93 GLU CA C 93 61.240 61.240 59.978 1.262 18887 10799 1 18 . 1 1 93 93 GLU CB C 93 30.570 30.570 29.058 1.512 18887 10800 1 18 . 1 1 93 93 GLU H H 93 8.520 8.520 8.622 -0.102 18887 10801 1 18 . 1 1 94 94 LYS N N 94 119.790 119.790 120.282 -0.492 18887 10802 1 18 . 1 1 94 94 LYS HA H 94 3.930 3.930 4.032 -0.102 18887 10803 1 18 . 1 1 94 94 LYS C C 94 169.840 169.840 178.460 -8.620 18887 10804 1 18 . 1 1 94 94 LYS CA C 94 60.600 60.600 59.673 0.927 18887 10805 1 18 . 1 1 94 94 LYS CB C 94 33.550 33.550 32.268 1.282 18887 10806 1 18 . 1 1 94 94 LYS H H 94 7.670 7.670 7.272 0.398 18887 10807 1 18 . 1 1 95 95 VAL N N 95 118.850 118.850 120.587 -1.737 18887 10808 1 18 . 1 1 95 95 VAL HA H 95 3.590 3.590 3.681 -0.091 18887 10809 1 18 . 1 1 95 95 VAL C C 95 176.620 176.620 177.697 -1.077 18887 10810 1 18 . 1 1 95 95 VAL CA C 95 67.220 67.220 65.978 1.242 18887 10811 1 18 . 1 1 95 95 VAL CB C 95 32.880 32.880 31.851 1.029 18887 10812 1 18 . 1 1 95 95 VAL H H 95 7.150 7.150 8.399 -1.249 18887 10813 1 18 . 1 1 96 96 ILE N N 96 119.120 119.120 120.403 -1.283 18887 10814 1 18 . 1 1 96 96 ILE HA H 96 3.380 3.380 3.525 -0.145 18887 10815 1 18 . 1 1 96 96 ILE C C 96 177.750 177.750 177.817 -0.067 18887 10816 1 18 . 1 1 96 96 ILE CA C 96 67.190 67.190 65.717 1.473 18887 10817 1 18 . 1 1 96 96 ILE CB C 96 38.440 38.440 37.533 0.907 18887 10818 1 18 . 1 1 96 96 ILE H H 96 8.380 8.380 7.901 0.479 18887 10819 1 18 . 1 1 97 97 ASN N N 97 117.000 117.000 118.109 -1.109 18887 10820 1 18 . 1 1 97 97 ASN HA H 97 4.420 4.420 4.430 -0.010 18887 10821 1 18 . 1 1 97 97 ASN C C 97 178.380 178.380 177.681 0.699 18887 10822 1 18 . 1 1 97 97 ASN CA C 97 57.430 57.430 56.589 0.841 18887 10823 1 18 . 1 1 97 97 ASN CB C 97 39.030 39.030 38.425 0.605 18887 10824 1 18 . 1 1 97 97 ASN H H 97 8.730 8.730 7.963 0.767 18887 10825 1 18 . 1 1 98 98 ALA N N 98 123.790 123.790 122.599 1.191 18887 10826 1 18 . 1 1 98 98 ALA HA H 98 4.100 4.100 4.117 -0.017 18887 10827 1 18 . 1 1 98 98 ALA C C 98 169.600 169.600 179.073 -9.473 18887 10828 1 18 . 1 1 98 98 ALA CA C 98 55.890 55.890 54.928 0.962 18887 10829 1 18 . 1 1 98 98 ALA CB C 98 18.850 18.850 18.287 0.563 18887 10830 1 18 . 1 1 98 98 ALA H H 98 7.950 7.950 8.158 -0.208 18887 10831 1 18 . 1 1 99 99 ALA N N 99 122.120 122.120 120.199 1.921 18887 10832 1 18 . 1 1 99 99 ALA HA H 99 3.930 3.930 4.063 -0.133 18887 10833 1 18 . 1 1 99 99 ALA C C 99 178.700 178.700 180.072 -1.372 18887 10834 1 18 . 1 1 99 99 ALA CA C 99 55.920 55.920 54.456 1.464 18887 10835 1 18 . 1 1 99 99 ALA CB C 99 18.960 18.960 18.670 0.290 18887 10836 1 18 . 1 1 99 99 ALA H H 99 7.930 7.930 7.703 0.227 18887 10837 1 18 . 1 1 100 100 LEU N N 100 115.870 115.870 119.434 -3.564 18887 10838 1 18 . 1 1 100 100 LEU HA H 100 3.900 3.900 4.013 -0.113 18887 10839 1 18 . 1 1 100 100 LEU C C 100 169.150 169.150 178.849 -9.699 18887 10840 1 18 . 1 1 100 100 LEU CA C 100 58.140 58.140 57.345 0.795 18887 10841 1 18 . 1 1 100 100 LEU CB C 100 41.730 41.730 41.487 0.243 18887 10842 1 18 . 1 1 100 100 LEU H H 100 8.220 8.220 8.029 0.191 18887 10843 1 18 . 1 1 101 101 ALA N N 101 120.410 120.410 122.187 -1.777 18887 10844 1 18 . 1 1 101 101 ALA HA H 101 4.100 4.100 4.164 -0.064 18887 10845 1 18 . 1 1 101 101 ALA C C 101 169.730 169.730 178.754 -9.024 18887 10846 1 18 . 1 1 101 101 ALA CA C 101 55.680 55.680 54.766 0.914 18887 10847 1 18 . 1 1 101 101 ALA CB C 101 18.860 18.860 18.292 0.568 18887 10848 1 18 . 1 1 101 101 ALA H H 101 7.970 7.970 7.755 0.215 18887 10849 1 18 . 1 1 102 102 LEU N N 102 115.090 115.090 118.380 -3.290 18887 10850 1 18 . 1 1 102 102 LEU HA H 102 4.120 4.120 4.163 -0.043 18887 10851 1 18 . 1 1 102 102 LEU C C 102 169.060 169.060 178.805 -9.745 18887 10852 1 18 . 1 1 102 102 LEU CA C 102 57.870 57.870 57.517 0.353 18887 10853 1 18 . 1 1 102 102 LEU CB C 102 43.730 43.730 41.989 1.741 18887 10854 1 18 . 1 1 102 102 LEU H H 102 7.330 7.330 7.555 -0.225 18887 10855 1 18 . 1 1 103 103 ILE N N 103 110.170 110.170 113.261 -3.091 18887 10856 1 18 . 1 1 103 103 ILE HA H 103 4.430 4.430 4.212 0.218 18887 10857 1 18 . 1 1 103 103 ILE C C 103 176.670 176.670 177.191 -0.521 18887 10858 1 18 . 1 1 103 103 ILE CA C 103 62.520 62.520 62.596 -0.076 18887 10859 1 18 . 1 1 103 103 ILE CB C 103 40.020 40.020 39.389 0.631 18887 10860 1 18 . 1 1 103 103 ILE H H 103 7.140 7.140 7.636 -0.496 18887 10861 1 18 . 1 1 104 104 ASP N N 104 122.560 122.560 119.853 2.707 18887 10862 1 18 . 1 1 104 104 ASP HA H 104 4.650 4.650 4.675 -0.025 18887 10863 1 18 . 1 1 104 104 ASP C C 104 176.670 176.670 175.496 1.174 18887 10864 1 18 . 1 1 104 104 ASP CA C 104 56.220 56.220 55.214 1.006 18887 10865 1 18 . 1 1 104 104 ASP CB C 104 42.080 42.080 41.653 0.427 18887 10866 1 18 . 1 1 104 104 ASP H H 104 8.000 8.000 8.181 -0.181 18887 10867 1 18 . 1 1 105 105 GLU N N 105 120.750 120.750 118.182 2.568 18887 10868 1 18 . 1 1 105 105 GLU HA H 105 4.300 4.300 3.928 0.372 18887 10869 1 18 . 1 1 105 105 GLU C C 105 175.470 175.470 175.043 0.427 18887 10870 1 18 . 1 1 105 105 GLU CA C 105 57.640 57.640 57.559 0.081 18887 10871 1 18 . 1 1 105 105 GLU CB C 105 30.870 30.870 28.333 2.537 18887 10872 1 18 . 1 1 105 105 GLU H H 105 8.030 8.030 8.184 -0.154 18887 10873 1 19 . 1 1 2 2 LYS N N 2 120.950 120.950 124.477 -3.527 18887 10874 1 19 . 1 1 2 2 LYS HA H 2 4.330 4.330 4.527 -0.197 18887 10875 1 19 . 1 1 2 2 LYS C C 2 176.040 176.040 175.527 0.513 18887 10876 1 19 . 1 1 2 2 LYS CA C 2 57.850 57.850 55.247 2.603 18887 10877 1 19 . 1 1 2 2 LYS CB C 2 33.480 33.480 32.365 1.115 18887 10878 1 19 . 1 1 2 2 LYS H H 2 8.220 8.220 8.524 -0.304 18887 10879 1 19 . 1 1 3 3 ARG N N 3 120.340 120.340 125.483 -5.143 18887 10880 1 19 . 1 1 3 3 ARG HA H 3 4.660 4.660 4.346 0.314 18887 10881 1 19 . 1 1 3 3 ARG C C 3 175.960 175.960 175.596 0.364 18887 10882 1 19 . 1 1 3 3 ARG CA C 3 53.810 53.810 54.994 -1.184 18887 10883 1 19 . 1 1 3 3 ARG CB C 3 29.710 29.710 31.297 -1.587 18887 10884 1 19 . 1 1 3 3 ARG H H 3 8.220 8.220 8.920 -0.700 18887 10885 1 19 . 1 1 4 4 LYS N N 4 121.540 121.540 126.946 -5.406 18887 10886 1 19 . 1 1 4 4 LYS HA H 4 4.770 4.770 5.200 -0.430 18887 10887 1 19 . 1 1 4 4 LYS C C 4 174.820 174.820 175.481 -0.661 18887 10888 1 19 . 1 1 4 4 LYS CA C 4 57.230 57.230 54.759 2.471 18887 10889 1 19 . 1 1 4 4 LYS CB C 4 33.800 33.800 31.760 2.040 18887 10890 1 19 . 1 1 4 4 LYS H H 4 8.880 8.880 8.590 0.290 18887 10891 1 19 . 1 1 5 5 ILE N N 5 125.030 125.030 125.732 -0.702 18887 10892 1 19 . 1 1 5 5 ILE HA H 5 4.530 4.530 4.789 -0.259 18887 10893 1 19 . 1 1 5 5 ILE C C 5 175.420 175.420 174.409 1.011 18887 10894 1 19 . 1 1 5 5 ILE CA C 5 61.120 61.120 59.894 1.226 18887 10895 1 19 . 1 1 5 5 ILE CB C 5 41.880 41.880 41.554 0.326 18887 10896 1 19 . 1 1 5 5 ILE H H 5 8.760 8.760 8.980 -0.220 18887 10897 1 19 . 1 1 6 6 ILE N N 6 119.270 119.270 122.542 -3.272 18887 10898 1 19 . 1 1 6 6 ILE HA H 6 5.440 5.440 5.256 0.184 18887 10899 1 19 . 1 1 6 6 ILE C C 6 173.880 173.880 173.886 -0.006 18887 10900 1 19 . 1 1 6 6 ILE CA C 6 60.480 60.480 57.992 2.488 18887 10901 1 19 . 1 1 6 6 ILE CB C 6 42.120 42.120 38.713 3.407 18887 10902 1 19 . 1 1 6 6 ILE H H 6 8.110 8.110 8.174 -0.064 18887 10903 1 19 . 1 1 7 7 ALA N N 7 122.330 122.330 129.811 -7.481 18887 10904 1 19 . 1 1 7 7 ALA HA H 7 5.780 5.780 5.126 0.654 18887 10905 1 19 . 1 1 7 7 ALA C C 7 173.950 173.950 175.461 -1.511 18887 10906 1 19 . 1 1 7 7 ALA CA C 7 51.280 51.280 50.280 1.000 18887 10907 1 19 . 1 1 7 7 ALA CB C 7 25.930 25.930 22.338 3.592 18887 10908 1 19 . 1 1 7 7 ALA H H 7 8.790 8.790 8.579 0.211 18887 10909 1 19 . 1 1 8 8 VAL N N 8 119.860 119.860 125.815 -5.955 18887 10910 1 19 . 1 1 8 8 VAL HA H 8 5.190 5.190 4.877 0.313 18887 10911 1 19 . 1 1 8 8 VAL C C 8 175.590 175.590 175.566 0.024 18887 10912 1 19 . 1 1 8 8 VAL CA C 8 61.340 61.340 60.698 0.642 18887 10913 1 19 . 1 1 8 8 VAL CB C 8 36.650 36.650 34.001 2.650 18887 10914 1 19 . 1 1 8 8 VAL H H 8 8.950 8.950 8.523 0.427 18887 10915 1 19 . 1 1 9 9 THR N N 9 116.320 116.320 118.639 -2.319 18887 10916 1 19 . 1 1 9 9 THR HA H 9 5.500 5.500 5.408 0.092 18887 10917 1 19 . 1 1 9 9 THR C C 9 172.920 172.920 173.434 -0.514 18887 10918 1 19 . 1 1 9 9 THR CA C 9 59.470 59.470 59.499 -0.029 18887 10919 1 19 . 1 1 9 9 THR CB C 9 71.510 71.510 70.102 1.408 18887 10920 1 19 . 1 1 9 9 THR H H 9 8.860 8.860 9.282 -0.422 18887 10921 1 19 . 1 1 10 10 ALA N N 10 121.780 121.780 129.721 -7.941 18887 10922 1 19 . 1 1 10 10 ALA HA H 10 4.800 4.800 5.067 -0.267 18887 10923 1 19 . 1 1 10 10 ALA C C 10 174.680 174.680 175.022 -0.342 18887 10924 1 19 . 1 1 10 10 ALA CA C 10 54.300 54.300 51.453 2.847 18887 10925 1 19 . 1 1 10 10 ALA CB C 10 22.940 22.940 21.359 1.581 18887 10926 1 19 . 1 1 10 10 ALA H H 10 7.710 7.710 8.718 -1.008 18887 10927 1 19 . 1 1 11 11 CYS N N 11 121.780 121.780 122.143 -0.363 18887 10928 1 19 . 1 1 11 11 CYS HA H 11 5.160 5.160 4.755 0.405 18887 10929 1 19 . 1 1 11 11 CYS C C 11 174.700 174.700 173.832 0.868 18887 10930 1 19 . 1 1 11 11 CYS CA C 11 57.150 57.150 57.605 -0.455 18887 10931 1 19 . 1 1 11 11 CYS CB C 11 30.830 30.830 31.629 -0.799 18887 10932 1 19 . 1 1 11 11 CYS H H 11 8.140 8.140 8.396 -0.256 18887 10933 1 19 . 1 1 12 12 ALA N N 12 113.900 113.900 128.706 -14.806 18887 10934 1 19 . 1 1 12 12 ALA HA H 12 4.220 4.220 4.537 -0.317 18887 10935 1 19 . 1 1 12 12 ALA C C 12 168.950 168.950 177.945 -8.995 18887 10936 1 19 . 1 1 12 12 ALA CA C 12 55.270 55.270 53.100 2.170 18887 10937 1 19 . 1 1 12 12 ALA CB C 12 20.320 20.320 19.313 1.007 18887 10938 1 19 . 1 1 12 12 ALA H H 12 10.630 10.630 9.049 1.581 18887 10939 1 19 . 1 1 13 13 THR N N 13 109.490 109.490 114.676 -5.186 18887 10940 1 19 . 1 1 13 13 THR HA H 13 4.390 4.390 4.083 0.307 18887 10941 1 19 . 1 1 13 13 THR C C 13 174.870 174.870 175.288 -0.418 18887 10942 1 19 . 1 1 13 13 THR CA C 13 62.910 62.910 64.846 -1.936 18887 10943 1 19 . 1 1 13 13 THR CB C 13 70.640 70.640 69.281 1.359 18887 10944 1 19 . 1 1 13 13 THR H H 13 8.180 8.180 7.785 0.395 18887 10945 1 19 . 1 1 14 14 GLY N N 14 111.450 111.450 108.242 3.208 18887 10946 1 19 . 1 1 14 14 GLY C C 14 173.680 173.680 173.567 0.113 18887 10947 1 19 . 1 1 14 14 GLY CA C 14 47.050 47.050 44.135 2.915 18887 10948 1 19 . 1 1 14 14 GLY H H 14 7.880 7.880 7.450 0.430 18887 10949 1 19 . 1 1 15 15 VAL N N 15 119.530 119.530 126.297 -6.767 18887 10950 1 19 . 1 1 15 15 VAL HA H 15 4.110 4.110 3.650 0.460 18887 10951 1 19 . 1 1 15 15 VAL C C 15 176.860 176.860 177.579 -0.719 18887 10952 1 19 . 1 1 15 15 VAL CA C 15 64.740 64.740 65.398 -0.658 18887 10953 1 19 . 1 1 15 15 VAL CB C 15 33.690 33.690 32.034 1.656 18887 10954 1 19 . 1 1 15 15 VAL H H 15 8.250 8.250 8.755 -0.505 18887 10955 1 19 . 1 1 16 16 ALA N N 16 123.230 123.230 120.160 3.070 18887 10956 1 19 . 1 1 16 16 ALA HA H 16 4.230 4.230 4.205 0.025 18887 10957 1 19 . 1 1 16 16 ALA C C 16 170.610 170.610 179.220 -8.610 18887 10958 1 19 . 1 1 16 16 ALA CA C 16 56.280 56.280 55.231 1.049 18887 10959 1 19 . 1 1 16 16 ALA CB C 16 19.320 19.320 18.226 1.094 18887 10960 1 19 . 1 1 16 16 ALA H H 16 8.430 8.430 8.468 -0.038 18887 10961 1 19 . 1 1 17 17 HIS HA H 17 4.380 4.380 4.312 0.068 18887 10962 1 19 . 1 1 17 17 HIS C C 17 177.260 177.260 177.240 0.020 18887 10963 1 19 . 1 1 17 17 HIS CA C 17 60.060 60.060 58.468 1.591 18887 10964 1 19 . 1 1 17 17 HIS CB C 17 31.990 31.990 29.686 2.304 18887 10965 1 19 . 1 1 18 18 THR N N 18 115.830 115.830 116.945 -1.115 18887 10966 1 19 . 1 1 18 18 THR HA H 18 3.540 3.540 4.033 -0.493 18887 10967 1 19 . 1 1 18 18 THR C C 18 176.690 176.690 176.194 0.496 18887 10968 1 19 . 1 1 18 18 THR CA C 18 67.700 67.700 67.421 0.279 18887 10969 1 19 . 1 1 18 18 THR CB C 18 69.550 69.550 68.833 0.717 18887 10970 1 19 . 1 1 18 18 THR H H 18 7.590 7.590 7.954 -0.364 18887 10971 1 19 . 1 1 19 19 TYR N N 19 121.050 121.050 122.599 -1.549 18887 10972 1 19 . 1 1 19 19 TYR HA H 19 4.340 4.340 4.433 -0.093 18887 10973 1 19 . 1 1 19 19 TYR C C 19 178.420 178.420 177.568 0.852 18887 10974 1 19 . 1 1 19 19 TYR CA C 19 61.220 61.220 60.966 0.254 18887 10975 1 19 . 1 1 19 19 TYR CB C 19 38.400 38.400 38.584 -0.184 18887 10976 1 19 . 1 1 19 19 TYR H H 19 7.710 7.710 7.967 -0.257 18887 10977 1 19 . 1 1 20 20 MET N N 20 120.220 120.220 119.911 0.309 18887 10978 1 19 . 1 1 20 20 MET HA H 20 4.160 4.160 4.315 -0.155 18887 10979 1 19 . 1 1 20 20 MET C C 20 169.550 169.550 177.701 -8.151 18887 10980 1 19 . 1 1 20 20 MET CA C 20 60.050 60.050 58.318 1.732 18887 10981 1 19 . 1 1 20 20 MET CB C 20 34.410 34.410 32.730 1.679 18887 10982 1 19 . 1 1 20 20 MET H H 20 8.470 8.470 8.406 0.064 18887 10983 1 19 . 1 1 21 21 ALA N N 21 122.280 122.280 122.059 0.221 18887 10984 1 19 . 1 1 21 21 ALA HA H 21 3.870 3.870 3.920 -0.050 18887 10985 1 19 . 1 1 21 21 ALA C C 21 178.630 178.630 178.777 -0.147 18887 10986 1 19 . 1 1 21 21 ALA CA C 21 56.760 56.760 55.702 1.058 18887 10987 1 19 . 1 1 21 21 ALA CB C 21 19.690 19.690 17.923 1.767 18887 10988 1 19 . 1 1 21 21 ALA H H 21 8.490 8.490 7.978 0.512 18887 10989 1 19 . 1 1 22 22 ALA N N 22 120.240 120.240 120.452 -0.212 18887 10990 1 19 . 1 1 22 22 ALA HA H 22 3.900 3.900 3.978 -0.078 18887 10991 1 19 . 1 1 22 22 ALA C C 22 169.200 169.200 180.090 -10.890 18887 10992 1 19 . 1 1 22 22 ALA CA C 22 56.880 56.880 54.869 2.011 18887 10993 1 19 . 1 1 22 22 ALA CB C 22 19.560 19.560 18.009 1.550 18887 10994 1 19 . 1 1 22 22 ALA H H 22 7.660 7.660 7.702 -0.042 18887 10995 1 19 . 1 1 23 23 GLN N N 23 116.680 116.680 118.827 -2.147 18887 10996 1 19 . 1 1 23 23 GLN HA H 23 3.940 3.940 3.839 0.101 18887 10997 1 19 . 1 1 23 23 GLN C C 23 178.500 178.500 178.473 0.027 18887 10998 1 19 . 1 1 23 23 GLN CA C 23 59.550 59.550 58.727 0.823 18887 10999 1 19 . 1 1 23 23 GLN CB C 23 29.660 29.660 28.618 1.042 18887 11000 1 19 . 1 1 23 23 GLN H H 23 8.430 8.430 7.611 0.819 18887 11001 1 19 . 1 1 24 24 ALA N N 24 121.760 121.760 122.491 -0.731 18887 11002 1 19 . 1 1 24 24 ALA HA H 24 4.140 4.140 4.019 0.121 18887 11003 1 19 . 1 1 24 24 ALA C C 24 171.490 171.490 179.367 -7.877 18887 11004 1 19 . 1 1 24 24 ALA CA C 24 56.060 56.060 55.068 0.992 18887 11005 1 19 . 1 1 24 24 ALA CB C 24 19.760 19.760 18.557 1.203 18887 11006 1 19 . 1 1 24 24 ALA H H 24 8.130 8.130 8.274 -0.144 18887 11007 1 19 . 1 1 25 25 LEU N N 25 118.730 118.730 120.487 -1.757 18887 11008 1 19 . 1 1 25 25 LEU HA H 25 3.850 3.850 3.965 -0.115 18887 11009 1 19 . 1 1 25 25 LEU C C 25 177.990 177.990 178.357 -0.367 18887 11010 1 19 . 1 1 25 25 LEU CA C 25 59.280 59.280 57.859 1.421 18887 11011 1 19 . 1 1 25 25 LEU CB C 25 43.190 43.190 41.548 1.642 18887 11012 1 19 . 1 1 25 25 LEU H H 25 8.030 8.030 8.243 -0.213 18887 11013 1 19 . 1 1 26 26 LYS N N 26 118.850 118.850 119.155 -0.305 18887 11014 1 19 . 1 1 26 26 LYS HA H 26 3.840 3.840 3.804 0.036 18887 11015 1 19 . 1 1 26 26 LYS C C 26 169.460 169.460 178.471 -9.011 18887 11016 1 19 . 1 1 26 26 LYS CA C 26 61.420 61.420 59.940 1.480 18887 11017 1 19 . 1 1 26 26 LYS CB C 26 33.440 33.440 32.220 1.220 18887 11018 1 19 . 1 1 26 26 LYS H H 26 8.000 8.000 8.139 -0.139 18887 11019 1 19 . 1 1 27 27 LYS N N 27 120.350 120.350 119.118 1.232 18887 11020 1 19 . 1 1 27 27 LYS HA H 27 3.990 3.990 4.004 -0.014 18887 11021 1 19 . 1 1 27 27 LYS C C 27 169.670 169.670 179.156 -9.486 18887 11022 1 19 . 1 1 27 27 LYS CA C 27 60.700 60.700 58.987 1.713 18887 11023 1 19 . 1 1 27 27 LYS CB C 27 33.620 33.620 31.884 1.736 18887 11024 1 19 . 1 1 27 27 LYS H H 27 8.350 8.350 7.913 0.437 18887 11025 1 19 . 1 1 28 28 GLY N N 28 125.170 125.170 105.949 19.221 18887 11026 1 19 . 1 1 28 28 GLY C C 28 174.520 174.520 175.792 -1.272 18887 11027 1 19 . 1 1 28 28 GLY CA C 28 47.870 47.870 46.801 1.069 18887 11028 1 19 . 1 1 28 28 GLY H H 28 8.410 8.410 8.148 0.262 18887 11029 1 19 . 1 1 29 29 ALA N N 29 122.370 122.370 124.434 -2.064 18887 11030 1 19 . 1 1 29 29 ALA HA H 29 3.820 3.820 4.098 -0.278 18887 11031 1 19 . 1 1 29 29 ALA C C 29 169.050 169.050 179.183 -10.133 18887 11032 1 19 . 1 1 29 29 ALA CA C 29 56.840 56.840 54.790 2.050 18887 11033 1 19 . 1 1 29 29 ALA CB C 29 18.800 18.800 18.200 0.600 18887 11034 1 19 . 1 1 29 29 ALA H H 29 8.280 8.280 7.843 0.437 18887 11035 1 19 . 1 1 30 30 LYS N N 30 117.490 117.490 119.345 -1.855 18887 11036 1 19 . 1 1 30 30 LYS HA H 30 4.130 4.130 3.998 0.132 18887 11037 1 19 . 1 1 30 30 LYS C C 30 170.330 170.330 178.615 -8.285 18887 11038 1 19 . 1 1 30 30 LYS CA C 30 60.420 60.420 59.142 1.278 18887 11039 1 19 . 1 1 30 30 LYS CB C 30 33.230 33.230 32.408 0.822 18887 11040 1 19 . 1 1 30 30 LYS H H 30 7.720 7.720 8.415 -0.695 18887 11041 1 19 . 1 1 31 31 LYS N N 31 121.050 121.050 118.690 2.360 18887 11042 1 19 . 1 1 31 31 LYS HA H 31 4.020 4.020 4.084 -0.064 18887 11043 1 19 . 1 1 31 31 LYS C C 31 178.160 178.160 178.436 -0.276 18887 11044 1 19 . 1 1 31 31 LYS CA C 31 60.360 60.360 58.839 1.522 18887 11045 1 19 . 1 1 31 31 LYS CB C 31 33.380 33.380 32.480 0.900 18887 11046 1 19 . 1 1 31 31 LYS H H 31 7.930 7.930 7.812 0.118 18887 11047 1 19 . 1 1 32 32 MET N N 32 114.620 114.620 115.445 -0.825 18887 11048 1 19 . 1 1 32 32 MET HA H 32 4.240 4.240 4.558 -0.318 18887 11049 1 19 . 1 1 32 32 MET C C 32 175.810 175.810 177.117 -1.307 18887 11050 1 19 . 1 1 32 32 MET CA C 32 57.400 57.400 54.898 2.502 18887 11051 1 19 . 1 1 32 32 MET CB C 32 37.710 37.710 33.246 4.463 18887 11052 1 19 . 1 1 32 32 MET H H 32 7.420 7.420 7.542 -0.122 18887 11053 1 19 . 1 1 33 33 GLY N N 33 124.900 124.900 109.092 15.808 18887 11054 1 19 . 1 1 33 33 GLY C C 33 174.340 174.340 173.812 0.528 18887 11055 1 19 . 1 1 33 33 GLY CA C 33 46.830 46.830 45.090 1.740 18887 11056 1 19 . 1 1 33 33 GLY H H 33 7.860 7.860 8.031 -0.171 18887 11057 1 19 . 1 1 34 34 ASN N N 34 116.070 116.070 117.918 -1.848 18887 11058 1 19 . 1 1 34 34 ASN HA H 34 5.210 5.210 4.923 0.287 18887 11059 1 19 . 1 1 34 34 ASN C C 34 173.080 173.080 174.964 -1.884 18887 11060 1 19 . 1 1 34 34 ASN CA C 34 52.770 52.770 52.612 0.158 18887 11061 1 19 . 1 1 34 34 ASN CB C 34 42.880 42.880 40.857 2.023 18887 11062 1 19 . 1 1 34 34 ASN H H 34 8.160 8.160 8.290 -0.130 18887 11063 1 19 . 1 1 35 35 LEU N N 35 121.450 121.450 121.894 -0.444 18887 11064 1 19 . 1 1 35 35 LEU HA H 35 4.620 4.620 4.662 -0.042 18887 11065 1 19 . 1 1 35 35 LEU C C 35 174.930 174.930 175.058 -0.128 18887 11066 1 19 . 1 1 35 35 LEU CA C 35 55.150 55.150 53.787 1.363 18887 11067 1 19 . 1 1 35 35 LEU CB C 35 44.760 44.760 42.712 2.048 18887 11068 1 19 . 1 1 35 35 LEU H H 35 8.770 8.770 8.307 0.463 18887 11069 1 19 . 1 1 36 36 ILE N N 36 119.690 119.690 124.372 -4.682 18887 11070 1 19 . 1 1 36 36 ILE HA H 36 5.660 5.660 4.834 0.826 18887 11071 1 19 . 1 1 36 36 ILE C C 36 172.620 172.620 174.743 -2.123 18887 11072 1 19 . 1 1 36 36 ILE CA C 36 59.410 59.410 59.348 0.062 18887 11073 1 19 . 1 1 36 36 ILE CB C 36 44.340 44.340 41.002 3.338 18887 11074 1 19 . 1 1 36 36 ILE H H 36 8.390 8.390 8.505 -0.115 18887 11075 1 19 . 1 1 37 37 LYS N N 37 126.230 126.230 129.416 -3.186 18887 11076 1 19 . 1 1 37 37 LYS HA H 37 4.590 4.590 4.714 -0.124 18887 11077 1 19 . 1 1 37 37 LYS C C 37 174.340 174.340 174.137 0.203 18887 11078 1 19 . 1 1 37 37 LYS CA C 37 57.050 57.050 54.336 2.714 18887 11079 1 19 . 1 1 37 37 LYS CB C 37 36.860 36.860 33.120 3.740 18887 11080 1 19 . 1 1 37 37 LYS H H 37 7.210 7.210 9.047 -1.837 18887 11081 1 19 . 1 1 38 38 VAL N N 38 124.270 124.270 126.261 -1.991 18887 11082 1 19 . 1 1 38 38 VAL HA H 38 4.920 4.920 4.998 -0.078 18887 11083 1 19 . 1 1 38 38 VAL C C 38 174.660 174.660 175.262 -0.602 18887 11084 1 19 . 1 1 38 38 VAL CA C 38 61.420 61.420 59.557 1.863 18887 11085 1 19 . 1 1 38 38 VAL CB C 38 35.020 35.020 34.254 0.766 18887 11086 1 19 . 1 1 38 38 VAL H H 38 8.760 8.760 8.672 0.088 18887 11087 1 19 . 1 1 39 39 GLU N N 39 114.800 114.800 128.617 -13.817 18887 11088 1 19 . 1 1 39 39 GLU HA H 39 5.020 5.020 4.922 0.098 18887 11089 1 19 . 1 1 39 39 GLU C C 39 175.680 175.680 175.113 0.567 18887 11090 1 19 . 1 1 39 39 GLU CA C 39 55.680 55.680 54.584 1.096 18887 11091 1 19 . 1 1 39 39 GLU CB C 39 33.940 33.940 33.313 0.627 18887 11092 1 19 . 1 1 39 39 GLU H H 39 9.210 9.210 9.316 -0.106 18887 11093 1 19 . 1 1 40 40 THR N N 40 115.120 115.120 124.570 -9.450 18887 11094 1 19 . 1 1 40 40 THR HA H 40 5.180 5.180 4.968 0.212 18887 11095 1 19 . 1 1 40 40 THR C C 40 174.200 174.200 172.946 1.254 18887 11096 1 19 . 1 1 40 40 THR CA C 40 59.710 59.710 62.283 -2.573 18887 11097 1 19 . 1 1 40 40 THR CB C 40 71.270 71.270 69.766 1.504 18887 11098 1 19 . 1 1 40 40 THR H H 40 8.500 8.500 9.330 -0.830 18887 11099 1 19 . 1 1 41 41 GLN N N 41 119.850 119.850 129.177 -9.327 18887 11100 1 19 . 1 1 41 41 GLN HA H 41 4.990 4.990 4.995 -0.005 18887 11101 1 19 . 1 1 41 41 GLN C C 41 175.110 175.110 176.231 -1.121 18887 11102 1 19 . 1 1 41 41 GLN CA C 41 54.980 54.980 54.042 0.938 18887 11103 1 19 . 1 1 41 41 GLN CB C 41 29.780 29.780 30.815 -1.035 18887 11104 1 19 . 1 1 41 41 GLN H H 41 8.470 8.470 9.261 -0.791 18887 11105 1 19 . 1 1 42 42 GLY N N 42 109.530 109.530 114.154 -4.624 18887 11106 1 19 . 1 1 42 42 GLY C C 42 174.750 174.750 173.418 1.332 18887 11107 1 19 . 1 1 42 42 GLY CA C 42 45.630 45.630 44.554 1.076 18887 11108 1 19 . 1 1 42 42 GLY H H 42 7.890 7.890 9.132 -1.242 18887 11109 1 19 . 1 1 43 43 ALA N N 43 123.850 123.850 127.096 -3.246 18887 11110 1 19 . 1 1 43 43 ALA HA H 43 4.170 4.170 3.904 0.266 18887 11111 1 19 . 1 1 43 43 ALA C C 43 169.490 169.490 177.316 -7.826 18887 11112 1 19 . 1 1 43 43 ALA CA C 43 56.170 56.170 52.535 3.635 18887 11113 1 19 . 1 1 43 43 ALA CB C 43 19.910 19.910 17.590 2.320 18887 11114 1 19 . 1 1 43 43 ALA H H 43 8.730 8.730 7.971 0.759 18887 11115 1 19 . 1 1 44 44 THR N N 44 122.380 122.380 112.044 10.336 18887 11116 1 19 . 1 1 44 44 THR HA H 44 4.390 4.390 3.902 0.488 18887 11117 1 19 . 1 1 44 44 THR C C 44 174.260 174.260 174.940 -0.680 18887 11118 1 19 . 1 1 44 44 THR CA C 44 62.190 62.190 65.240 -3.050 18887 11119 1 19 . 1 1 44 44 THR CB C 44 70.080 70.080 68.054 2.026 18887 11120 1 19 . 1 1 44 44 THR H H 44 7.950 7.950 8.679 -0.729 18887 11121 1 19 . 1 1 45 45 GLY N N 45 109.360 109.360 111.525 -2.165 18887 11122 1 19 . 1 1 45 45 GLY C C 45 172.380 172.380 172.736 -0.356 18887 11123 1 19 . 1 1 45 45 GLY CA C 45 45.510 45.510 44.890 0.620 18887 11124 1 19 . 1 1 45 45 GLY H H 45 7.560 7.560 7.941 -0.381 18887 11125 1 19 . 1 1 46 46 ILE N N 46 122.050 122.050 126.411 -4.361 18887 11126 1 19 . 1 1 46 46 ILE HA H 46 4.780 4.780 4.605 0.175 18887 11127 1 19 . 1 1 46 46 ILE C C 46 176.010 176.010 176.462 -0.452 18887 11128 1 19 . 1 1 46 46 ILE CA C 46 61.950 61.950 61.128 0.822 18887 11129 1 19 . 1 1 46 46 ILE CB C 46 40.810 40.810 38.763 2.047 18887 11130 1 19 . 1 1 46 46 ILE H H 46 8.480 8.480 7.925 0.555 18887 11131 1 19 . 1 1 47 47 GLU N N 47 109.160 109.160 127.860 -18.700 18887 11132 1 19 . 1 1 47 47 GLU HA H 47 4.660 4.660 4.275 0.385 18887 11133 1 19 . 1 1 47 47 GLU C C 47 174.750 174.750 177.073 -2.323 18887 11134 1 19 . 1 1 47 47 GLU CA C 47 55.940 55.940 58.560 -2.620 18887 11135 1 19 . 1 1 47 47 GLU CB C 47 33.640 33.640 30.151 3.489 18887 11136 1 19 . 1 1 47 47 GLU H H 47 9.000 9.000 9.202 -0.202 18887 11137 1 19 . 1 1 48 48 ASN N N 48 120.510 120.510 116.159 4.351 18887 11138 1 19 . 1 1 48 48 ASN HA H 48 4.230 4.230 4.813 -0.583 18887 11139 1 19 . 1 1 48 48 ASN C C 48 173.090 173.090 173.879 -0.789 18887 11140 1 19 . 1 1 48 48 ASN CA C 48 54.770 54.770 53.486 1.284 18887 11141 1 19 . 1 1 48 48 ASN CB C 48 38.800 38.800 40.098 -1.298 18887 11142 1 19 . 1 1 48 48 ASN H H 48 8.930 8.930 7.933 0.997 18887 11143 1 19 . 1 1 49 49 GLU N N 49 114.160 114.160 117.936 -3.776 18887 11144 1 19 . 1 1 49 49 GLU HA H 49 3.890 3.890 4.253 -0.363 18887 11145 1 19 . 1 1 49 49 GLU C C 49 177.780 177.780 175.150 2.630 18887 11146 1 19 . 1 1 49 49 GLU CA C 49 57.870 57.870 56.596 1.274 18887 11147 1 19 . 1 1 49 49 GLU CB C 49 31.900 31.900 29.347 2.553 18887 11148 1 19 . 1 1 49 49 GLU H H 49 7.690 7.690 8.126 -0.436 18887 11149 1 19 . 1 1 50 50 LEU N N 50 109.440 109.440 127.848 -18.408 18887 11150 1 19 . 1 1 50 50 LEU HA H 50 4.680 4.680 4.473 0.207 18887 11151 1 19 . 1 1 50 50 LEU C C 50 177.490 177.490 177.443 0.047 18887 11152 1 19 . 1 1 50 50 LEU CA C 50 55.520 55.520 54.649 0.871 18887 11153 1 19 . 1 1 50 50 LEU CB C 50 43.440 43.440 41.956 1.484 18887 11154 1 19 . 1 1 50 50 LEU H H 50 9.560 9.560 9.518 0.042 18887 11155 1 19 . 1 1 51 51 THR N N 51 117.490 117.490 115.647 1.843 18887 11156 1 19 . 1 1 51 51 THR HA H 51 4.420 4.420 4.475 -0.055 18887 11157 1 19 . 1 1 51 51 THR C C 51 175.010 175.010 175.258 -0.248 18887 11158 1 19 . 1 1 51 51 THR CA C 51 61.230 61.230 60.126 1.104 18887 11159 1 19 . 1 1 51 51 THR CB C 51 72.860 72.860 70.987 1.873 18887 11160 1 19 . 1 1 51 51 THR H H 51 9.380 9.380 9.008 0.372 18887 11161 1 19 . 1 1 52 52 GLU N N 52 120.490 120.490 121.688 -1.198 18887 11162 1 19 . 1 1 52 52 GLU HA H 52 3.860 3.860 3.919 -0.059 18887 11163 1 19 . 1 1 52 52 GLU C C 52 178.660 178.660 178.482 0.178 18887 11164 1 19 . 1 1 52 52 GLU CA C 52 61.130 61.130 60.502 0.628 18887 11165 1 19 . 1 1 52 52 GLU CB C 52 30.280 30.280 29.492 0.788 18887 11166 1 19 . 1 1 52 52 GLU H H 52 8.910 8.910 8.937 -0.027 18887 11167 1 19 . 1 1 53 53 LYS N N 53 118.660 118.660 117.662 0.998 18887 11168 1 19 . 1 1 53 53 LYS HA H 53 4.020 4.020 4.028 -0.008 18887 11169 1 19 . 1 1 53 53 LYS C C 53 178.190 178.190 178.874 -0.684 18887 11170 1 19 . 1 1 53 53 LYS CA C 53 60.390 60.390 59.220 1.170 18887 11171 1 19 . 1 1 53 53 LYS CB C 53 33.210 33.210 32.152 1.058 18887 11172 1 19 . 1 1 53 53 LYS H H 53 7.890 7.890 7.883 0.007 18887 11173 1 19 . 1 1 54 54 ASP N N 54 118.400 118.400 120.577 -2.177 18887 11174 1 19 . 1 1 54 54 ASP HA H 54 4.200 4.200 4.396 -0.196 18887 11175 1 19 . 1 1 54 54 ASP C C 54 169.070 169.070 178.671 -9.601 18887 11176 1 19 . 1 1 54 54 ASP CA C 54 58.300 58.300 57.621 0.679 18887 11177 1 19 . 1 1 54 54 ASP CB C 54 43.110 43.110 40.765 2.345 18887 11178 1 19 . 1 1 54 54 ASP H H 54 7.440 7.440 7.514 -0.074 18887 11179 1 19 . 1 1 55 55 VAL N N 55 118.420 118.420 119.086 -0.666 18887 11180 1 19 . 1 1 55 55 VAL HA H 55 3.520 3.520 3.731 -0.211 18887 11181 1 19 . 1 1 55 55 VAL C C 55 176.980 176.980 177.067 -0.087 18887 11182 1 19 . 1 1 55 55 VAL CA C 55 66.950 66.950 66.458 0.492 18887 11183 1 19 . 1 1 55 55 VAL CB C 55 32.360 32.360 31.663 0.697 18887 11184 1 19 . 1 1 55 55 VAL H H 55 8.150 8.150 8.078 0.072 18887 11185 1 19 . 1 1 56 56 ASN N N 56 117.100 117.100 115.227 1.873 18887 11186 1 19 . 1 1 56 56 ASN HA H 56 4.410 4.410 4.603 -0.193 18887 11187 1 19 . 1 1 56 56 ASN C C 56 177.330 177.330 176.575 0.755 18887 11188 1 19 . 1 1 56 56 ASN CA C 56 57.170 57.170 55.159 2.011 18887 11189 1 19 . 1 1 56 56 ASN CB C 56 39.930 39.930 39.072 0.858 18887 11190 1 19 . 1 1 56 56 ASN H H 56 8.000 8.000 7.793 0.207 18887 11191 1 19 . 1 1 57 57 ILE N N 57 115.580 115.580 118.637 -3.057 18887 11192 1 19 . 1 1 57 57 ILE HA H 57 3.950 3.950 4.145 -0.195 18887 11193 1 19 . 1 1 57 57 ILE C C 57 176.980 176.980 177.121 -0.141 18887 11194 1 19 . 1 1 57 57 ILE CA C 57 63.240 63.240 62.122 1.118 18887 11195 1 19 . 1 1 57 57 ILE CB C 57 39.890 39.890 38.489 1.401 18887 11196 1 19 . 1 1 57 57 ILE H H 57 7.600 7.600 7.513 0.087 18887 11197 1 19 . 1 1 58 58 GLY N N 58 124.080 124.080 107.286 16.794 18887 11198 1 19 . 1 1 58 58 GLY C C 58 173.190 173.190 174.273 -1.083 18887 11199 1 19 . 1 1 58 58 GLY CA C 58 47.110 47.110 45.089 2.021 18887 11200 1 19 . 1 1 58 58 GLY H H 58 7.630 7.630 8.207 -0.577 18887 11201 1 19 . 1 1 59 59 GLU N N 59 123.240 123.240 125.695 -2.455 18887 11202 1 19 . 1 1 59 59 GLU HA H 59 4.240 4.240 4.254 -0.014 18887 11203 1 19 . 1 1 59 59 GLU C C 59 176.750 176.750 176.800 -0.050 18887 11204 1 19 . 1 1 59 59 GLU CA C 59 59.830 59.830 58.264 1.566 18887 11205 1 19 . 1 1 59 59 GLU CB C 59 33.100 33.100 30.855 2.245 18887 11206 1 19 . 1 1 59 59 GLU H H 59 9.350 9.350 8.740 0.610 18887 11207 1 19 . 1 1 60 60 VAL N N 60 114.370 114.370 113.045 1.325 18887 11208 1 19 . 1 1 60 60 VAL HA H 60 4.410 4.410 4.393 0.017 18887 11209 1 19 . 1 1 60 60 VAL C C 60 170.270 170.270 174.641 -4.371 18887 11210 1 19 . 1 1 60 60 VAL CA C 60 60.710 60.710 61.359 -0.649 18887 11211 1 19 . 1 1 60 60 VAL CB C 60 35.150 35.150 33.071 2.079 18887 11212 1 19 . 1 1 60 60 VAL H H 60 7.640 7.640 7.248 0.392 18887 11213 1 19 . 1 1 61 61 VAL N N 61 125.780 125.780 124.404 1.376 18887 11214 1 19 . 1 1 61 61 VAL HA H 61 4.970 4.970 4.689 0.281 18887 11215 1 19 . 1 1 61 61 VAL C C 61 174.450 174.450 175.248 -0.798 18887 11216 1 19 . 1 1 61 61 VAL CA C 61 60.260 60.260 60.089 0.171 18887 11217 1 19 . 1 1 61 61 VAL CB C 61 34.710 34.710 32.453 2.257 18887 11218 1 19 . 1 1 61 61 VAL H H 61 8.290 8.290 8.821 -0.531 18887 11219 1 19 . 1 1 62 62 ILE N N 62 124.740 124.740 128.258 -3.518 18887 11220 1 19 . 1 1 62 62 ILE HA H 62 4.820 4.820 4.301 0.519 18887 11221 1 19 . 1 1 62 62 ILE C C 62 175.020 175.020 174.604 0.416 18887 11222 1 19 . 1 1 62 62 ILE CA C 62 60.490 60.490 60.693 -0.203 18887 11223 1 19 . 1 1 62 62 ILE CB C 62 42.560 42.560 38.448 4.112 18887 11224 1 19 . 1 1 62 62 ILE H H 62 8.580 8.580 8.459 0.121 18887 11225 1 19 . 1 1 63 63 PHE N N 63 109.510 109.510 128.270 -18.760 18887 11226 1 19 . 1 1 63 63 PHE HA H 63 5.490 5.490 4.958 0.532 18887 11227 1 19 . 1 1 63 63 PHE C C 63 173.600 173.600 174.194 -0.594 18887 11228 1 19 . 1 1 63 63 PHE CA C 63 53.020 53.020 54.487 -1.467 18887 11229 1 19 . 1 1 63 63 PHE CB C 63 40.150 40.150 39.645 0.506 18887 11230 1 19 . 1 1 63 63 PHE H H 63 9.320 9.320 9.126 0.194 18887 11231 1 19 . 1 1 64 64 ALA N N 64 112.790 112.790 129.561 -16.771 18887 11232 1 19 . 1 1 64 64 ALA HA H 64 5.430 5.430 5.815 -0.385 18887 11233 1 19 . 1 1 64 64 ALA C C 64 175.040 175.040 175.865 -0.825 18887 11234 1 19 . 1 1 64 64 ALA CA C 64 50.740 50.740 49.985 0.755 18887 11235 1 19 . 1 1 64 64 ALA CB C 64 19.690 19.690 19.798 -0.108 18887 11236 1 19 . 1 1 64 64 ALA H H 64 8.840 8.840 8.423 0.417 18887 11237 1 19 . 1 1 65 65 VAL N N 65 110.260 110.260 118.257 -7.997 18887 11238 1 19 . 1 1 65 65 VAL HA H 65 5.690 5.690 4.950 0.740 18887 11239 1 19 . 1 1 65 65 VAL C C 65 175.380 175.380 173.758 1.622 18887 11240 1 19 . 1 1 65 65 VAL CA C 65 59.060 59.060 59.790 -0.730 18887 11241 1 19 . 1 1 65 65 VAL CB C 65 38.800 38.800 35.231 3.569 18887 11242 1 19 . 1 1 65 65 VAL H H 65 8.080 8.080 7.503 0.577 18887 11243 1 19 . 1 1 66 66 ASP N N 66 119.250 119.250 120.096 -0.846 18887 11244 1 19 . 1 1 66 66 ASP HA H 66 4.870 4.870 4.917 -0.047 18887 11245 1 19 . 1 1 66 66 ASP C C 66 175.600 175.600 175.847 -0.247 18887 11246 1 19 . 1 1 66 66 ASP CA C 66 53.780 53.780 54.192 -0.412 18887 11247 1 19 . 1 1 66 66 ASP CB C 66 42.910 42.910 43.136 -0.226 18887 11248 1 19 . 1 1 66 66 ASP H H 66 7.760 7.760 9.208 -1.448 18887 11249 1 19 . 1 1 67 67 THR N N 67 112.330 112.330 114.270 -1.940 18887 11250 1 19 . 1 1 67 67 THR HA H 67 4.510 4.510 4.548 -0.038 18887 11251 1 19 . 1 1 67 67 THR C C 67 172.370 172.370 173.584 -1.214 18887 11252 1 19 . 1 1 67 67 THR CA C 67 59.650 59.650 60.685 -1.035 18887 11253 1 19 . 1 1 67 67 THR CB C 67 70.230 70.230 70.311 -0.080 18887 11254 1 19 . 1 1 67 67 THR H H 67 7.070 7.070 7.676 -0.606 18887 11255 1 19 . 1 1 68 68 LYS N N 68 121.380 121.380 120.588 0.792 18887 11256 1 19 . 1 1 68 68 LYS HA H 68 4.080 4.080 4.398 -0.318 18887 11257 1 19 . 1 1 68 68 LYS C C 68 176.250 176.250 175.727 0.523 18887 11258 1 19 . 1 1 68 68 LYS CA C 68 57.470 57.470 56.016 1.454 18887 11259 1 19 . 1 1 68 68 LYS CB C 68 34.020 34.020 32.903 1.117 18887 11260 1 19 . 1 1 68 68 LYS H H 68 7.540 7.540 8.137 -0.597 18887 11261 1 19 . 1 1 69 69 VAL N N 69 125.310 125.310 120.597 4.713 18887 11262 1 19 . 1 1 69 69 VAL HA H 69 3.320 3.320 4.383 -1.063 18887 11263 1 19 . 1 1 69 69 VAL C C 69 175.890 175.890 176.318 -0.428 18887 11264 1 19 . 1 1 69 69 VAL CA C 69 64.110 64.110 61.490 2.620 18887 11265 1 19 . 1 1 69 69 VAL CB C 69 33.810 33.810 33.786 0.024 18887 11266 1 19 . 1 1 69 69 VAL H H 69 8.320 8.320 8.255 0.065 18887 11267 1 19 . 1 1 70 70 ARG N N 70 111.240 111.240 127.670 -16.430 18887 11268 1 19 . 1 1 70 70 ARG HA H 70 4.160 4.160 4.190 -0.030 18887 11269 1 19 . 1 1 70 70 ARG C C 70 177.030 177.030 177.650 -0.620 18887 11270 1 19 . 1 1 70 70 ARG CA C 70 57.630 57.630 59.324 -1.694 18887 11271 1 19 . 1 1 70 70 ARG CB C 70 31.440 31.440 30.368 1.072 18887 11272 1 19 . 1 1 70 70 ARG H H 70 9.580 9.580 8.598 0.982 18887 11273 1 19 . 1 1 71 71 ASN N N 71 120.660 120.660 115.552 5.108 18887 11274 1 19 . 1 1 71 71 ASN HA H 71 4.670 4.670 4.717 -0.047 18887 11275 1 19 . 1 1 71 71 ASN C C 71 177.530 177.530 176.603 0.927 18887 11276 1 19 . 1 1 71 71 ASN CA C 71 54.770 54.770 54.061 0.709 18887 11277 1 19 . 1 1 71 71 ASN CB C 71 37.130 37.130 38.208 -1.078 18887 11278 1 19 . 1 1 71 71 ASN H H 71 9.170 9.170 8.616 0.554 18887 11279 1 19 . 1 1 72 72 LYS N N 72 120.730 120.730 121.345 -0.615 18887 11280 1 19 . 1 1 72 72 LYS HA H 72 4.010 4.010 4.671 -0.661 18887 11281 1 19 . 1 1 72 72 LYS C C 72 177.790 177.790 178.123 -0.333 18887 11282 1 19 . 1 1 72 72 LYS CA C 72 59.910 59.910 59.566 0.344 18887 11283 1 19 . 1 1 72 72 LYS CB C 72 33.260 33.260 32.413 0.847 18887 11284 1 19 . 1 1 72 72 LYS H H 72 8.400 8.400 7.577 0.823 18887 11285 1 19 . 1 1 73 73 GLU N N 73 122.670 122.670 117.903 4.767 18887 11286 1 19 . 1 1 73 73 GLU HA H 73 4.160 4.160 4.069 0.091 18887 11287 1 19 . 1 1 73 73 GLU C C 73 177.620 177.620 178.837 -1.217 18887 11288 1 19 . 1 1 73 73 GLU CA C 73 60.380 60.380 58.904 1.476 18887 11289 1 19 . 1 1 73 73 GLU CB C 73 28.660 28.660 29.115 -0.455 18887 11290 1 19 . 1 1 73 73 GLU H H 73 9.960 9.960 8.095 1.865 18887 11291 1 19 . 1 1 74 74 ARG N N 74 117.370 117.370 117.856 -0.486 18887 11292 1 19 . 1 1 74 74 ARG HA H 74 3.770 3.770 4.195 -0.425 18887 11293 1 19 . 1 1 74 74 ARG C C 74 177.380 177.380 177.411 -0.031 18887 11294 1 19 . 1 1 74 74 ARG CA C 74 59.010 59.010 57.418 1.592 18887 11295 1 19 . 1 1 74 74 ARG CB C 74 32.720 32.720 29.884 2.836 18887 11296 1 19 . 1 1 74 74 ARG H H 74 6.830 6.830 7.594 -0.764 18887 11297 1 19 . 1 1 75 75 PHE N N 75 112.920 112.920 118.243 -5.323 18887 11298 1 19 . 1 1 75 75 PHE HA H 75 4.280 4.280 4.645 -0.365 18887 11299 1 19 . 1 1 75 75 PHE C C 75 174.870 174.870 176.264 -1.394 18887 11300 1 19 . 1 1 75 75 PHE CA C 75 57.370 57.370 57.518 -0.148 18887 11301 1 19 . 1 1 75 75 PHE CB C 75 39.380 39.380 38.362 1.018 18887 11302 1 19 . 1 1 75 75 PHE H H 75 7.670 7.670 7.643 0.027 18887 11303 1 19 . 1 1 76 76 ASP N N 76 121.780 121.780 122.319 -0.539 18887 11304 1 19 . 1 1 76 76 ASP HA H 76 4.380 4.380 4.519 -0.139 18887 11305 1 19 . 1 1 76 76 ASP C C 76 177.380 177.380 177.229 0.151 18887 11306 1 19 . 1 1 76 76 ASP CA C 76 57.700 57.700 56.901 0.799 18887 11307 1 19 . 1 1 76 76 ASP CB C 76 41.270 41.270 41.048 0.222 18887 11308 1 19 . 1 1 76 76 ASP H H 76 7.210 7.210 7.495 -0.285 18887 11309 1 19 . 1 1 77 77 GLY N N 77 111.910 111.910 107.679 4.231 18887 11310 1 19 . 1 1 77 77 GLY C C 77 174.310 174.310 173.971 0.339 18887 11311 1 19 . 1 1 77 77 GLY CA C 77 46.290 46.290 44.866 1.424 18887 11312 1 19 . 1 1 77 77 GLY H H 77 8.920 8.920 8.649 0.271 18887 11313 1 19 . 1 1 78 78 LYS N N 78 117.910 117.910 119.434 -1.524 18887 11314 1 19 . 1 1 78 78 LYS HA H 78 4.540 4.540 4.767 -0.227 18887 11315 1 19 . 1 1 78 78 LYS C C 78 175.910 175.910 174.987 0.923 18887 11316 1 19 . 1 1 78 78 LYS CA C 78 53.410 53.410 54.611 -1.201 18887 11317 1 19 . 1 1 78 78 LYS CB C 78 32.780 32.780 35.784 -3.004 18887 11318 1 19 . 1 1 78 78 LYS H H 78 7.700 7.700 7.606 0.094 18887 11319 1 19 . 1 1 79 79 VAL N N 79 124.500 124.500 122.488 2.012 18887 11320 1 19 . 1 1 79 79 VAL HA H 79 3.850 3.850 4.224 -0.374 18887 11321 1 19 . 1 1 79 79 VAL C C 79 174.140 174.140 173.949 0.191 18887 11322 1 19 . 1 1 79 79 VAL CA C 79 64.810 64.810 61.516 3.295 18887 11323 1 19 . 1 1 79 79 VAL CB C 79 32.390 32.390 31.960 0.430 18887 11324 1 19 . 1 1 79 79 VAL H H 79 8.890 8.890 8.657 0.233 18887 11325 1 19 . 1 1 80 80 VAL N N 80 125.810 125.810 129.403 -3.593 18887 11326 1 19 . 1 1 80 80 VAL HA H 80 4.690 4.690 4.686 0.004 18887 11327 1 19 . 1 1 80 80 VAL C C 80 175.270 175.270 175.069 0.201 18887 11328 1 19 . 1 1 80 80 VAL CA C 80 60.670 60.670 60.762 -0.092 18887 11329 1 19 . 1 1 80 80 VAL CB C 80 35.970 35.970 33.659 2.311 18887 11330 1 19 . 1 1 80 80 VAL H H 80 7.860 7.860 8.365 -0.505 18887 11331 1 19 . 1 1 81 81 LEU N N 81 110.550 110.550 128.790 -18.240 18887 11332 1 19 . 1 1 81 81 LEU HA H 81 4.490 4.490 4.758 -0.268 18887 11333 1 19 . 1 1 81 81 LEU C C 81 173.930 173.930 174.855 -0.925 18887 11334 1 19 . 1 1 81 81 LEU CA C 81 54.410 54.410 53.402 1.008 18887 11335 1 19 . 1 1 81 81 LEU CB C 81 45.100 45.100 43.890 1.210 18887 11336 1 19 . 1 1 81 81 LEU H H 81 8.790 8.790 9.149 -0.359 18887 11337 1 19 . 1 1 82 82 GLU N N 82 111.070 111.070 128.105 -17.035 18887 11338 1 19 . 1 1 82 82 GLU HA H 82 5.460 5.460 4.883 0.577 18887 11339 1 19 . 1 1 82 82 GLU C C 82 175.440 175.440 175.508 -0.068 18887 11340 1 19 . 1 1 82 82 GLU CA C 82 56.010 56.010 55.691 0.319 18887 11341 1 19 . 1 1 82 82 GLU CB C 82 32.100 32.100 30.243 1.857 18887 11342 1 19 . 1 1 82 82 GLU H H 82 8.750 8.750 8.752 -0.002 18887 11343 1 19 . 1 1 83 83 VAL N N 83 119.980 119.980 121.611 -1.631 18887 11344 1 19 . 1 1 83 83 VAL HA H 83 4.950 4.950 4.815 0.135 18887 11345 1 19 . 1 1 83 83 VAL C C 83 172.120 172.120 173.552 -1.432 18887 11346 1 19 . 1 1 83 83 VAL CA C 83 58.760 58.760 58.149 0.611 18887 11347 1 19 . 1 1 83 83 VAL CB C 83 34.570 34.570 34.963 -0.393 18887 11348 1 19 . 1 1 83 83 VAL H H 83 9.390 9.390 8.858 0.532 18887 11349 1 19 . 1 1 84 84 PRO HA H 84 4.740 4.740 4.600 0.140 18887 11350 1 19 . 1 1 84 84 PRO C C 84 178.300 178.300 177.843 0.457 18887 11351 1 19 . 1 1 84 84 PRO CA C 84 63.330 63.330 62.387 0.943 18887 11352 1 19 . 1 1 84 84 PRO CB C 84 33.430 33.430 32.270 1.160 18887 11353 1 19 . 1 1 85 85 VAL N N 85 122.390 122.390 121.885 0.505 18887 11354 1 19 . 1 1 85 85 VAL HA H 85 3.320 3.320 3.751 -0.431 18887 11355 1 19 . 1 1 85 85 VAL C C 85 174.190 174.190 176.950 -2.760 18887 11356 1 19 . 1 1 85 85 VAL CA C 85 66.540 66.540 64.723 1.817 18887 11357 1 19 . 1 1 85 85 VAL CB C 85 32.970 32.970 32.269 0.701 18887 11358 1 19 . 1 1 85 85 VAL H H 85 7.240 7.240 8.753 -1.513 18887 11359 1 19 . 1 1 86 86 SER N N 86 125.590 125.590 114.495 11.095 18887 11360 1 19 . 1 1 86 86 SER HA H 86 4.020 4.020 4.143 -0.123 18887 11361 1 19 . 1 1 86 86 SER C C 86 176.940 176.940 175.103 1.837 18887 11362 1 19 . 1 1 86 86 SER CA C 86 60.200 60.200 60.793 -0.593 18887 11363 1 19 . 1 1 86 86 SER CB C 86 64.060 64.060 62.801 1.259 18887 11364 1 19 . 1 1 86 86 SER H H 86 7.600 7.600 8.096 -0.496 18887 11365 1 19 . 1 1 87 87 ALA N N 87 125.200 125.200 124.912 0.288 18887 11366 1 19 . 1 1 87 87 ALA HA H 87 4.280 4.280 4.312 -0.032 18887 11367 1 19 . 1 1 87 87 ALA C C 87 177.370 177.370 175.878 1.492 18887 11368 1 19 . 1 1 87 87 ALA CA C 87 57.600 57.600 56.457 1.143 18887 11369 1 19 . 1 1 87 87 ALA CB C 87 16.620 16.620 16.356 0.264 18887 11370 1 19 . 1 1 87 87 ALA H H 87 7.870 7.870 7.959 -0.089 18887 11371 1 19 . 1 1 88 88 PRO HA H 88 4.000 4.000 4.253 -0.253 18887 11372 1 19 . 1 1 88 88 PRO C C 88 175.090 175.090 177.715 -2.625 18887 11373 1 19 . 1 1 88 88 PRO CA C 88 65.410 65.410 65.340 0.070 18887 11374 1 19 . 1 1 88 88 PRO CB C 88 32.130 32.130 31.199 0.931 18887 11375 1 19 . 1 1 89 89 ILE N N 89 114.700 114.700 114.399 0.301 18887 11376 1 19 . 1 1 89 89 ILE HA H 89 3.310 3.310 3.895 -0.585 18887 11377 1 19 . 1 1 89 89 ILE C C 89 177.850 177.850 177.389 0.461 18887 11378 1 19 . 1 1 89 89 ILE CA C 89 66.320 66.320 63.804 2.516 18887 11379 1 19 . 1 1 89 89 ILE CB C 89 38.790 38.790 37.989 0.802 18887 11380 1 19 . 1 1 89 89 ILE H H 89 6.300 6.300 7.444 -1.144 18887 11381 1 19 . 1 1 90 90 LYS N N 90 118.530 118.530 117.433 1.097 18887 11382 1 19 . 1 1 90 90 LYS HA H 90 4.060 4.060 4.326 -0.266 18887 11383 1 19 . 1 1 90 90 LYS C C 90 177.390 177.390 177.489 -0.099 18887 11384 1 19 . 1 1 90 90 LYS CA C 90 59.710 59.710 57.422 2.288 18887 11385 1 19 . 1 1 90 90 LYS CB C 90 33.940 33.940 33.623 0.317 18887 11386 1 19 . 1 1 90 90 LYS H H 90 7.440 7.440 7.580 -0.140 18887 11387 1 19 . 1 1 91 91 ASP N N 91 114.670 114.670 120.819 -6.149 18887 11388 1 19 . 1 1 91 91 ASP HA H 91 4.530 4.530 4.979 -0.449 18887 11389 1 19 . 1 1 91 91 ASP C C 91 174.350 174.350 175.799 -1.449 18887 11390 1 19 . 1 1 91 91 ASP CA C 91 55.120 55.120 53.780 1.340 18887 11391 1 19 . 1 1 91 91 ASP CB C 91 41.530 41.530 41.915 -0.385 18887 11392 1 19 . 1 1 91 91 ASP H H 91 7.700 7.700 8.447 -0.747 18887 11393 1 19 . 1 1 92 92 ALA N N 92 111.350 111.350 123.207 -11.857 18887 11394 1 19 . 1 1 92 92 ALA HA H 92 3.830 3.830 3.894 -0.064 18887 11395 1 19 . 1 1 92 92 ALA C C 92 169.330 169.330 178.914 -9.584 18887 11396 1 19 . 1 1 92 92 ALA CA C 92 57.220 57.220 56.098 1.122 18887 11397 1 19 . 1 1 92 92 ALA CB C 92 20.700 20.700 18.497 2.203 18887 11398 1 19 . 1 1 92 92 ALA H H 92 8.860 8.860 8.121 0.739 18887 11399 1 19 . 1 1 93 93 GLU N N 93 117.860 117.860 116.714 1.146 18887 11400 1 19 . 1 1 93 93 GLU HA H 93 3.860 3.860 3.964 -0.104 18887 11401 1 19 . 1 1 93 93 GLU C C 93 177.970 177.970 178.635 -0.665 18887 11402 1 19 . 1 1 93 93 GLU CA C 93 61.240 61.240 59.438 1.802 18887 11403 1 19 . 1 1 93 93 GLU CB C 93 30.570 30.570 28.943 1.627 18887 11404 1 19 . 1 1 93 93 GLU H H 93 8.520 8.520 8.767 -0.247 18887 11405 1 19 . 1 1 94 94 LYS N N 94 119.790 119.790 119.545 0.245 18887 11406 1 19 . 1 1 94 94 LYS HA H 94 3.930 3.930 4.125 -0.195 18887 11407 1 19 . 1 1 94 94 LYS C C 94 169.840 169.840 179.083 -9.243 18887 11408 1 19 . 1 1 94 94 LYS CA C 94 60.600 60.600 58.620 1.980 18887 11409 1 19 . 1 1 94 94 LYS CB C 94 33.550 33.550 32.178 1.372 18887 11410 1 19 . 1 1 94 94 LYS H H 94 7.670 7.670 7.493 0.177 18887 11411 1 19 . 1 1 95 95 VAL N N 95 118.850 118.850 120.542 -1.692 18887 11412 1 19 . 1 1 95 95 VAL HA H 95 3.590 3.590 3.660 -0.070 18887 11413 1 19 . 1 1 95 95 VAL C C 95 176.620 176.620 178.182 -1.562 18887 11414 1 19 . 1 1 95 95 VAL CA C 95 67.220 67.220 66.612 0.608 18887 11415 1 19 . 1 1 95 95 VAL CB C 95 32.880 32.880 31.365 1.515 18887 11416 1 19 . 1 1 95 95 VAL H H 95 7.150 7.150 8.232 -1.082 18887 11417 1 19 . 1 1 96 96 ILE N N 96 119.120 119.120 119.820 -0.700 18887 11418 1 19 . 1 1 96 96 ILE HA H 96 3.380 3.380 3.517 -0.137 18887 11419 1 19 . 1 1 96 96 ILE C C 96 177.750 177.750 177.922 -0.172 18887 11420 1 19 . 1 1 96 96 ILE CA C 96 67.190 67.190 65.739 1.451 18887 11421 1 19 . 1 1 96 96 ILE CB C 96 38.440 38.440 37.285 1.155 18887 11422 1 19 . 1 1 96 96 ILE H H 96 8.380 8.380 8.224 0.156 18887 11423 1 19 . 1 1 97 97 ASN N N 97 117.000 117.000 117.922 -0.922 18887 11424 1 19 . 1 1 97 97 ASN HA H 97 4.420 4.420 4.446 -0.026 18887 11425 1 19 . 1 1 97 97 ASN C C 97 178.380 178.380 177.611 0.769 18887 11426 1 19 . 1 1 97 97 ASN CA C 97 57.430 57.430 56.365 1.065 18887 11427 1 19 . 1 1 97 97 ASN CB C 97 39.030 39.030 38.449 0.581 18887 11428 1 19 . 1 1 97 97 ASN H H 97 8.730 8.730 7.770 0.960 18887 11429 1 19 . 1 1 98 98 ALA N N 98 123.790 123.790 122.967 0.823 18887 11430 1 19 . 1 1 98 98 ALA HA H 98 4.100 4.100 4.089 0.011 18887 11431 1 19 . 1 1 98 98 ALA C C 98 169.600 169.600 179.164 -9.564 18887 11432 1 19 . 1 1 98 98 ALA CA C 98 55.890 55.890 55.020 0.870 18887 11433 1 19 . 1 1 98 98 ALA CB C 98 18.850 18.850 18.138 0.712 18887 11434 1 19 . 1 1 98 98 ALA H H 98 7.950 7.950 8.158 -0.208 18887 11435 1 19 . 1 1 99 99 ALA N N 99 122.120 122.120 120.999 1.121 18887 11436 1 19 . 1 1 99 99 ALA HA H 99 3.930 3.930 3.951 -0.021 18887 11437 1 19 . 1 1 99 99 ALA C C 99 178.700 178.700 179.443 -0.743 18887 11438 1 19 . 1 1 99 99 ALA CA C 99 55.920 55.920 54.800 1.120 18887 11439 1 19 . 1 1 99 99 ALA CB C 99 18.960 18.960 18.554 0.406 18887 11440 1 19 . 1 1 99 99 ALA H H 99 7.930 7.930 7.599 0.331 18887 11441 1 19 . 1 1 100 100 LEU N N 100 115.870 115.870 118.562 -2.692 18887 11442 1 19 . 1 1 100 100 LEU HA H 100 3.900 3.900 4.032 -0.132 18887 11443 1 19 . 1 1 100 100 LEU C C 100 169.150 169.150 178.789 -9.639 18887 11444 1 19 . 1 1 100 100 LEU CA C 100 58.140 58.140 57.658 0.482 18887 11445 1 19 . 1 1 100 100 LEU CB C 100 41.730 41.730 41.448 0.282 18887 11446 1 19 . 1 1 100 100 LEU H H 100 8.220 8.220 7.525 0.695 18887 11447 1 19 . 1 1 101 101 ALA N N 101 120.410 120.410 122.222 -1.812 18887 11448 1 19 . 1 1 101 101 ALA HA H 101 4.100 4.100 4.326 -0.226 18887 11449 1 19 . 1 1 101 101 ALA C C 101 169.730 169.730 179.193 -9.463 18887 11450 1 19 . 1 1 101 101 ALA CA C 101 55.680 55.680 54.767 0.913 18887 11451 1 19 . 1 1 101 101 ALA CB C 101 18.860 18.860 18.264 0.597 18887 11452 1 19 . 1 1 101 101 ALA H H 101 7.970 7.970 8.016 -0.046 18887 11453 1 19 . 1 1 102 102 LEU N N 102 115.090 115.090 117.676 -2.586 18887 11454 1 19 . 1 1 102 102 LEU HA H 102 4.120 4.120 4.179 -0.059 18887 11455 1 19 . 1 1 102 102 LEU C C 102 169.060 169.060 178.112 -9.052 18887 11456 1 19 . 1 1 102 102 LEU CA C 102 57.870 57.870 57.157 0.713 18887 11457 1 19 . 1 1 102 102 LEU CB C 102 43.730 43.730 42.052 1.678 18887 11458 1 19 . 1 1 102 102 LEU H H 102 7.330 7.330 7.686 -0.356 18887 11459 1 19 . 1 1 103 103 ILE N N 103 110.170 110.170 112.988 -2.818 18887 11460 1 19 . 1 1 103 103 ILE HA H 103 4.430 4.430 4.201 0.229 18887 11461 1 19 . 1 1 103 103 ILE C C 103 176.670 176.670 176.860 -0.190 18887 11462 1 19 . 1 1 103 103 ILE CA C 103 62.520 62.520 63.145 -0.625 18887 11463 1 19 . 1 1 103 103 ILE CB C 103 40.020 40.020 39.316 0.704 18887 11464 1 19 . 1 1 103 103 ILE H H 103 7.140 7.140 7.250 -0.110 18887 11465 1 19 . 1 1 104 104 ASP N N 104 122.560 122.560 118.473 4.087 18887 11466 1 19 . 1 1 104 104 ASP HA H 104 4.650 4.650 4.788 -0.138 18887 11467 1 19 . 1 1 104 104 ASP C C 104 176.670 176.670 175.294 1.376 18887 11468 1 19 . 1 1 104 104 ASP CA C 104 56.220 56.220 54.634 1.586 18887 11469 1 19 . 1 1 104 104 ASP CB C 104 42.080 42.080 43.238 -1.158 18887 11470 1 19 . 1 1 104 104 ASP H H 104 8.000 8.000 8.127 -0.127 18887 11471 1 19 . 1 1 105 105 GLU N N 105 120.750 120.750 117.990 2.760 18887 11472 1 19 . 1 1 105 105 GLU HA H 105 4.300 4.300 3.970 0.330 18887 11473 1 19 . 1 1 105 105 GLU C C 105 175.470 175.470 175.156 0.314 18887 11474 1 19 . 1 1 105 105 GLU CA C 105 57.640 57.640 57.349 0.291 18887 11475 1 19 . 1 1 105 105 GLU CB C 105 30.870 30.870 28.116 2.754 18887 11476 1 19 . 1 1 105 105 GLU H H 105 8.030 8.030 7.961 0.069 18887 11477 1 20 . 1 1 2 2 LYS N N 2 120.950 120.950 123.571 -2.621 18887 11478 1 20 . 1 1 2 2 LYS HA H 2 4.330 4.330 4.489 -0.159 18887 11479 1 20 . 1 1 2 2 LYS C C 2 176.040 176.040 175.773 0.267 18887 11480 1 20 . 1 1 2 2 LYS CA C 2 57.850 57.850 55.666 2.184 18887 11481 1 20 . 1 1 2 2 LYS CB C 2 33.480 33.480 31.740 1.740 18887 11482 1 20 . 1 1 2 2 LYS H H 2 8.220 8.220 8.170 0.050 18887 11483 1 20 . 1 1 3 3 ARG N N 3 120.340 120.340 125.225 -4.885 18887 11484 1 20 . 1 1 3 3 ARG HA H 3 4.660 4.660 4.195 0.465 18887 11485 1 20 . 1 1 3 3 ARG C C 3 175.960 175.960 175.866 0.094 18887 11486 1 20 . 1 1 3 3 ARG CA C 3 53.810 53.810 55.766 -1.956 18887 11487 1 20 . 1 1 3 3 ARG CB C 3 29.710 29.710 30.804 -1.094 18887 11488 1 20 . 1 1 3 3 ARG H H 3 8.220 8.220 8.373 -0.153 18887 11489 1 20 . 1 1 4 4 LYS N N 4 121.540 121.540 126.931 -5.391 18887 11490 1 20 . 1 1 4 4 LYS HA H 4 4.770 4.770 5.192 -0.422 18887 11491 1 20 . 1 1 4 4 LYS C C 4 174.820 174.820 175.825 -1.005 18887 11492 1 20 . 1 1 4 4 LYS CA C 4 57.230 57.230 55.424 1.806 18887 11493 1 20 . 1 1 4 4 LYS CB C 4 33.800 33.800 32.627 1.173 18887 11494 1 20 . 1 1 4 4 LYS H H 4 8.880 8.880 8.688 0.192 18887 11495 1 20 . 1 1 5 5 ILE N N 5 125.030 125.030 124.730 0.300 18887 11496 1 20 . 1 1 5 5 ILE HA H 5 4.530 4.530 4.487 0.043 18887 11497 1 20 . 1 1 5 5 ILE C C 5 175.420 175.420 174.532 0.888 18887 11498 1 20 . 1 1 5 5 ILE CA C 5 61.120 61.120 60.096 1.024 18887 11499 1 20 . 1 1 5 5 ILE CB C 5 41.880 41.880 41.389 0.491 18887 11500 1 20 . 1 1 5 5 ILE H H 5 8.760 8.760 8.825 -0.065 18887 11501 1 20 . 1 1 6 6 ILE N N 6 119.270 119.270 122.648 -3.378 18887 11502 1 20 . 1 1 6 6 ILE HA H 6 5.440 5.440 5.048 0.392 18887 11503 1 20 . 1 1 6 6 ILE C C 6 173.880 173.880 173.859 0.021 18887 11504 1 20 . 1 1 6 6 ILE CA C 6 60.480 60.480 58.184 2.296 18887 11505 1 20 . 1 1 6 6 ILE CB C 6 42.120 42.120 38.448 3.672 18887 11506 1 20 . 1 1 6 6 ILE H H 6 8.110 8.110 8.004 0.106 18887 11507 1 20 . 1 1 7 7 ALA N N 7 122.330 122.330 130.058 -7.728 18887 11508 1 20 . 1 1 7 7 ALA HA H 7 5.780 5.780 5.148 0.632 18887 11509 1 20 . 1 1 7 7 ALA C C 7 173.950 173.950 175.832 -1.882 18887 11510 1 20 . 1 1 7 7 ALA CA C 7 51.280 51.280 50.425 0.855 18887 11511 1 20 . 1 1 7 7 ALA CB C 7 25.930 25.930 21.550 4.380 18887 11512 1 20 . 1 1 7 7 ALA H H 7 8.790 8.790 8.868 -0.078 18887 11513 1 20 . 1 1 8 8 VAL N N 8 119.860 119.860 127.291 -7.431 18887 11514 1 20 . 1 1 8 8 VAL HA H 8 5.190 5.190 4.574 0.616 18887 11515 1 20 . 1 1 8 8 VAL C C 8 175.590 175.590 175.687 -0.097 18887 11516 1 20 . 1 1 8 8 VAL CA C 8 61.340 61.340 61.308 0.032 18887 11517 1 20 . 1 1 8 8 VAL CB C 8 36.650 36.650 33.044 3.606 18887 11518 1 20 . 1 1 8 8 VAL H H 8 8.950 8.950 8.587 0.363 18887 11519 1 20 . 1 1 9 9 THR N N 9 116.320 116.320 118.703 -2.383 18887 11520 1 20 . 1 1 9 9 THR HA H 9 5.500 5.500 5.459 0.041 18887 11521 1 20 . 1 1 9 9 THR C C 9 172.920 172.920 173.396 -0.476 18887 11522 1 20 . 1 1 9 9 THR CA C 9 59.470 59.470 59.361 0.109 18887 11523 1 20 . 1 1 9 9 THR CB C 9 71.510 71.510 70.687 0.823 18887 11524 1 20 . 1 1 9 9 THR H H 9 8.860 8.860 9.193 -0.333 18887 11525 1 20 . 1 1 10 10 ALA N N 10 121.780 121.780 127.261 -5.481 18887 11526 1 20 . 1 1 10 10 ALA HA H 10 4.800 4.800 5.727 -0.927 18887 11527 1 20 . 1 1 10 10 ALA C C 10 174.680 174.680 175.626 -0.946 18887 11528 1 20 . 1 1 10 10 ALA CA C 10 54.300 54.300 50.828 3.472 18887 11529 1 20 . 1 1 10 10 ALA CB C 10 22.940 22.940 23.415 -0.475 18887 11530 1 20 . 1 1 10 10 ALA H H 10 7.710 7.710 8.710 -1.000 18887 11531 1 20 . 1 1 11 11 CYS N N 11 121.780 121.780 118.272 3.508 18887 11532 1 20 . 1 1 11 11 CYS HA H 11 5.160 5.160 4.674 0.486 18887 11533 1 20 . 1 1 11 11 CYS C C 11 174.700 174.700 173.022 1.678 18887 11534 1 20 . 1 1 11 11 CYS CA C 11 57.150 57.150 58.362 -1.212 18887 11535 1 20 . 1 1 11 11 CYS CB C 11 30.830 30.830 31.492 -0.662 18887 11536 1 20 . 1 1 11 11 CYS H H 11 8.140 8.140 8.274 -0.134 18887 11537 1 20 . 1 1 12 12 ALA N N 12 113.900 113.900 128.879 -14.979 18887 11538 1 20 . 1 1 12 12 ALA HA H 12 4.220 4.220 4.594 -0.374 18887 11539 1 20 . 1 1 12 12 ALA C C 12 168.950 168.950 177.741 -8.791 18887 11540 1 20 . 1 1 12 12 ALA CA C 12 55.270 55.270 53.701 1.569 18887 11541 1 20 . 1 1 12 12 ALA CB C 12 20.320 20.320 19.669 0.651 18887 11542 1 20 . 1 1 12 12 ALA H H 12 10.630 10.630 9.228 1.402 18887 11543 1 20 . 1 1 13 13 THR N N 13 109.490 109.490 112.134 -2.644 18887 11544 1 20 . 1 1 13 13 THR HA H 13 4.390 4.390 4.382 0.008 18887 11545 1 20 . 1 1 13 13 THR C C 13 174.870 174.870 176.415 -1.545 18887 11546 1 20 . 1 1 13 13 THR CA C 13 62.910 62.910 63.082 -0.172 18887 11547 1 20 . 1 1 13 13 THR CB C 13 70.640 70.640 69.838 0.802 18887 11548 1 20 . 1 1 13 13 THR H H 13 8.180 8.180 7.634 0.546 18887 11549 1 20 . 1 1 14 14 GLY N N 14 111.450 111.450 111.893 -0.443 18887 11550 1 20 . 1 1 14 14 GLY C C 14 173.680 173.680 175.029 -1.349 18887 11551 1 20 . 1 1 14 14 GLY CA C 14 47.050 47.050 44.459 2.591 18887 11552 1 20 . 1 1 14 14 GLY H H 14 7.880 7.880 8.079 -0.199 18887 11553 1 20 . 1 1 15 15 VAL N N 15 119.530 119.530 120.887 -1.357 18887 11554 1 20 . 1 1 15 15 VAL HA H 15 4.110 4.110 3.946 0.164 18887 11555 1 20 . 1 1 15 15 VAL C C 15 176.860 176.860 177.246 -0.386 18887 11556 1 20 . 1 1 15 15 VAL CA C 15 64.740 64.740 64.066 0.674 18887 11557 1 20 . 1 1 15 15 VAL CB C 15 33.690 33.690 31.437 2.253 18887 11558 1 20 . 1 1 15 15 VAL H H 15 8.250 8.250 7.736 0.514 18887 11559 1 20 . 1 1 16 16 ALA N N 16 123.230 123.230 122.576 0.654 18887 11560 1 20 . 1 1 16 16 ALA HA H 16 4.230 4.230 4.090 0.140 18887 11561 1 20 . 1 1 16 16 ALA C C 16 170.610 170.610 179.611 -9.001 18887 11562 1 20 . 1 1 16 16 ALA CA C 16 56.280 56.280 55.086 1.194 18887 11563 1 20 . 1 1 16 16 ALA CB C 16 19.320 19.320 18.221 1.099 18887 11564 1 20 . 1 1 16 16 ALA H H 16 8.430 8.430 8.435 -0.005 18887 11565 1 20 . 1 1 17 17 HIS HA H 17 4.380 4.380 4.334 0.046 18887 11566 1 20 . 1 1 17 17 HIS C C 17 177.260 177.260 177.729 -0.469 18887 11567 1 20 . 1 1 17 17 HIS CA C 17 60.060 60.060 58.265 1.795 18887 11568 1 20 . 1 1 17 17 HIS CB C 17 31.990 31.990 30.141 1.849 18887 11569 1 20 . 1 1 18 18 THR N N 18 115.830 115.830 117.943 -2.113 18887 11570 1 20 . 1 1 18 18 THR HA H 18 3.540 3.540 3.965 -0.425 18887 11571 1 20 . 1 1 18 18 THR C C 18 176.690 176.690 176.277 0.413 18887 11572 1 20 . 1 1 18 18 THR CA C 18 67.700 67.700 67.652 0.048 18887 11573 1 20 . 1 1 18 18 THR CB C 18 69.550 69.550 68.795 0.755 18887 11574 1 20 . 1 1 18 18 THR H H 18 7.590 7.590 7.768 -0.178 18887 11575 1 20 . 1 1 19 19 TYR N N 19 121.050 121.050 119.911 1.139 18887 11576 1 20 . 1 1 19 19 TYR HA H 19 4.340 4.340 4.347 -0.007 18887 11577 1 20 . 1 1 19 19 TYR C C 19 178.420 178.420 177.971 0.449 18887 11578 1 20 . 1 1 19 19 TYR CA C 19 61.220 61.220 61.330 -0.110 18887 11579 1 20 . 1 1 19 19 TYR CB C 19 38.400 38.400 37.927 0.473 18887 11580 1 20 . 1 1 19 19 TYR H H 19 7.710 7.710 7.912 -0.202 18887 11581 1 20 . 1 1 20 20 MET N N 20 120.220 120.220 119.841 0.379 18887 11582 1 20 . 1 1 20 20 MET HA H 20 4.160 4.160 4.144 0.016 18887 11583 1 20 . 1 1 20 20 MET C C 20 169.550 169.550 177.880 -8.330 18887 11584 1 20 . 1 1 20 20 MET CA C 20 60.050 60.050 56.932 3.118 18887 11585 1 20 . 1 1 20 20 MET CB C 20 34.410 34.410 32.195 2.215 18887 11586 1 20 . 1 1 20 20 MET H H 20 8.470 8.470 7.890 0.580 18887 11587 1 20 . 1 1 21 21 ALA N N 21 122.280 122.280 121.412 0.868 18887 11588 1 20 . 1 1 21 21 ALA HA H 21 3.870 3.870 3.888 -0.018 18887 11589 1 20 . 1 1 21 21 ALA C C 21 178.630 178.630 178.872 -0.242 18887 11590 1 20 . 1 1 21 21 ALA CA C 21 56.760 56.760 55.158 1.601 18887 11591 1 20 . 1 1 21 21 ALA CB C 21 19.690 19.690 18.027 1.663 18887 11592 1 20 . 1 1 21 21 ALA H H 21 8.490 8.490 8.482 0.008 18887 11593 1 20 . 1 1 22 22 ALA N N 22 120.240 120.240 121.244 -1.004 18887 11594 1 20 . 1 1 22 22 ALA HA H 22 3.900 3.900 3.832 0.068 18887 11595 1 20 . 1 1 22 22 ALA C C 22 169.200 169.200 179.726 -10.526 18887 11596 1 20 . 1 1 22 22 ALA CA C 22 56.880 56.880 55.188 1.692 18887 11597 1 20 . 1 1 22 22 ALA CB C 22 19.560 19.560 18.166 1.394 18887 11598 1 20 . 1 1 22 22 ALA H H 22 7.660 7.660 7.951 -0.291 18887 11599 1 20 . 1 1 23 23 GLN N N 23 116.680 116.680 117.915 -1.235 18887 11600 1 20 . 1 1 23 23 GLN HA H 23 3.940 3.940 4.068 -0.128 18887 11601 1 20 . 1 1 23 23 GLN C C 23 178.500 178.500 178.624 -0.124 18887 11602 1 20 . 1 1 23 23 GLN CA C 23 59.550 59.550 58.384 1.166 18887 11603 1 20 . 1 1 23 23 GLN CB C 23 29.660 29.660 28.488 1.172 18887 11604 1 20 . 1 1 23 23 GLN H H 23 8.430 8.430 7.781 0.649 18887 11605 1 20 . 1 1 24 24 ALA N N 24 121.760 121.760 123.238 -1.478 18887 11606 1 20 . 1 1 24 24 ALA HA H 24 4.140 4.140 4.056 0.084 18887 11607 1 20 . 1 1 24 24 ALA C C 24 171.490 171.490 179.526 -8.036 18887 11608 1 20 . 1 1 24 24 ALA CA C 24 56.060 56.060 55.226 0.834 18887 11609 1 20 . 1 1 24 24 ALA CB C 24 19.760 19.760 18.483 1.277 18887 11610 1 20 . 1 1 24 24 ALA H H 24 8.130 8.130 8.280 -0.150 18887 11611 1 20 . 1 1 25 25 LEU N N 25 118.730 118.730 119.261 -0.531 18887 11612 1 20 . 1 1 25 25 LEU HA H 25 3.850 3.850 3.830 0.020 18887 11613 1 20 . 1 1 25 25 LEU C C 25 177.990 177.990 179.037 -1.047 18887 11614 1 20 . 1 1 25 25 LEU CA C 25 59.280 59.280 57.982 1.298 18887 11615 1 20 . 1 1 25 25 LEU CB C 25 43.190 43.190 41.611 1.579 18887 11616 1 20 . 1 1 25 25 LEU H H 25 8.030 8.030 8.569 -0.539 18887 11617 1 20 . 1 1 26 26 LYS N N 26 118.850 118.850 119.211 -0.361 18887 11618 1 20 . 1 1 26 26 LYS HA H 26 3.840 3.840 3.908 -0.068 18887 11619 1 20 . 1 1 26 26 LYS C C 26 169.460 169.460 178.598 -9.138 18887 11620 1 20 . 1 1 26 26 LYS CA C 26 61.420 61.420 59.820 1.600 18887 11621 1 20 . 1 1 26 26 LYS CB C 26 33.440 33.440 32.205 1.235 18887 11622 1 20 . 1 1 26 26 LYS H H 26 8.000 8.000 8.084 -0.084 18887 11623 1 20 . 1 1 27 27 LYS N N 27 120.350 120.350 119.163 1.187 18887 11624 1 20 . 1 1 27 27 LYS HA H 27 3.990 3.990 4.008 -0.018 18887 11625 1 20 . 1 1 27 27 LYS C C 27 169.670 169.670 179.021 -9.351 18887 11626 1 20 . 1 1 27 27 LYS CA C 27 60.700 60.700 59.562 1.137 18887 11627 1 20 . 1 1 27 27 LYS CB C 27 33.620 33.620 32.319 1.300 18887 11628 1 20 . 1 1 27 27 LYS H H 27 8.350 8.350 7.979 0.371 18887 11629 1 20 . 1 1 28 28 GLY N N 28 125.170 125.170 106.423 18.747 18887 11630 1 20 . 1 1 28 28 GLY C C 28 174.520 174.520 175.777 -1.257 18887 11631 1 20 . 1 1 28 28 GLY CA C 28 47.870 47.870 47.050 0.820 18887 11632 1 20 . 1 1 28 28 GLY H H 28 8.410 8.410 8.201 0.209 18887 11633 1 20 . 1 1 29 29 ALA N N 29 122.370 122.370 124.285 -1.915 18887 11634 1 20 . 1 1 29 29 ALA HA H 29 3.820 3.820 4.053 -0.233 18887 11635 1 20 . 1 1 29 29 ALA C C 29 169.050 169.050 179.745 -10.695 18887 11636 1 20 . 1 1 29 29 ALA CA C 29 56.840 56.840 55.062 1.778 18887 11637 1 20 . 1 1 29 29 ALA CB C 29 18.800 18.800 18.273 0.527 18887 11638 1 20 . 1 1 29 29 ALA H H 29 8.280 8.280 7.922 0.358 18887 11639 1 20 . 1 1 30 30 LYS N N 30 117.490 117.490 117.990 -0.500 18887 11640 1 20 . 1 1 30 30 LYS HA H 30 4.130 4.130 4.279 -0.149 18887 11641 1 20 . 1 1 30 30 LYS C C 30 170.330 170.330 178.989 -8.659 18887 11642 1 20 . 1 1 30 30 LYS CA C 30 60.420 60.420 58.503 1.917 18887 11643 1 20 . 1 1 30 30 LYS CB C 30 33.230 33.230 32.196 1.034 18887 11644 1 20 . 1 1 30 30 LYS H H 30 7.720 7.720 8.286 -0.566 18887 11645 1 20 . 1 1 31 31 LYS N N 31 121.050 121.050 119.159 1.891 18887 11646 1 20 . 1 1 31 31 LYS HA H 31 4.020 4.020 4.107 -0.087 18887 11647 1 20 . 1 1 31 31 LYS C C 31 178.160 178.160 178.618 -0.458 18887 11648 1 20 . 1 1 31 31 LYS CA C 31 60.360 60.360 58.755 1.605 18887 11649 1 20 . 1 1 31 31 LYS CB C 31 33.380 33.380 32.596 0.784 18887 11650 1 20 . 1 1 31 31 LYS H H 31 7.930 7.930 7.849 0.081 18887 11651 1 20 . 1 1 32 32 MET N N 32 114.620 114.620 115.419 -0.799 18887 11652 1 20 . 1 1 32 32 MET HA H 32 4.240 4.240 4.551 -0.311 18887 11653 1 20 . 1 1 32 32 MET C C 32 175.810 175.810 176.720 -0.910 18887 11654 1 20 . 1 1 32 32 MET CA C 32 57.400 57.400 54.123 3.277 18887 11655 1 20 . 1 1 32 32 MET CB C 32 37.710 37.710 32.344 5.366 18887 11656 1 20 . 1 1 32 32 MET H H 32 7.420 7.420 7.722 -0.302 18887 11657 1 20 . 1 1 33 33 GLY N N 33 124.900 124.900 107.130 17.770 18887 11658 1 20 . 1 1 33 33 GLY C C 33 174.340 174.340 174.091 0.249 18887 11659 1 20 . 1 1 33 33 GLY CA C 33 46.830 46.830 45.302 1.528 18887 11660 1 20 . 1 1 33 33 GLY H H 33 7.860 7.860 7.718 0.142 18887 11661 1 20 . 1 1 34 34 ASN N N 34 116.070 116.070 118.827 -2.757 18887 11662 1 20 . 1 1 34 34 ASN HA H 34 5.210 5.210 4.929 0.281 18887 11663 1 20 . 1 1 34 34 ASN C C 34 173.080 173.080 173.534 -0.454 18887 11664 1 20 . 1 1 34 34 ASN CA C 34 52.770 52.770 52.969 -0.199 18887 11665 1 20 . 1 1 34 34 ASN CB C 34 42.880 42.880 40.694 2.187 18887 11666 1 20 . 1 1 34 34 ASN H H 34 8.160 8.160 8.266 -0.106 18887 11667 1 20 . 1 1 35 35 LEU N N 35 121.450 121.450 121.048 0.402 18887 11668 1 20 . 1 1 35 35 LEU HA H 35 4.620 4.620 4.736 -0.116 18887 11669 1 20 . 1 1 35 35 LEU C C 35 174.930 174.930 174.897 0.033 18887 11670 1 20 . 1 1 35 35 LEU CA C 35 55.150 55.150 53.735 1.415 18887 11671 1 20 . 1 1 35 35 LEU CB C 35 44.760 44.760 43.012 1.748 18887 11672 1 20 . 1 1 35 35 LEU H H 35 8.770 8.770 8.725 0.045 18887 11673 1 20 . 1 1 36 36 ILE N N 36 119.690 119.690 124.399 -4.709 18887 11674 1 20 . 1 1 36 36 ILE HA H 36 5.660 5.660 4.878 0.782 18887 11675 1 20 . 1 1 36 36 ILE C C 36 172.620 172.620 174.947 -2.327 18887 11676 1 20 . 1 1 36 36 ILE CA C 36 59.410 59.410 59.520 -0.110 18887 11677 1 20 . 1 1 36 36 ILE CB C 36 44.340 44.340 40.577 3.763 18887 11678 1 20 . 1 1 36 36 ILE H H 36 8.390 8.390 8.559 -0.169 18887 11679 1 20 . 1 1 37 37 LYS N N 37 126.230 126.230 129.259 -3.029 18887 11680 1 20 . 1 1 37 37 LYS HA H 37 4.590 4.590 4.653 -0.063 18887 11681 1 20 . 1 1 37 37 LYS C C 37 174.340 174.340 174.716 -0.376 18887 11682 1 20 . 1 1 37 37 LYS CA C 37 57.050 57.050 53.858 3.192 18887 11683 1 20 . 1 1 37 37 LYS CB C 37 36.860 36.860 32.999 3.861 18887 11684 1 20 . 1 1 37 37 LYS H H 37 7.210 7.210 9.031 -1.821 18887 11685 1 20 . 1 1 38 38 VAL N N 38 124.270 124.270 126.427 -2.157 18887 11686 1 20 . 1 1 38 38 VAL HA H 38 4.920 4.920 4.803 0.117 18887 11687 1 20 . 1 1 38 38 VAL C C 38 174.660 174.660 176.064 -1.404 18887 11688 1 20 . 1 1 38 38 VAL CA C 38 61.420 61.420 61.094 0.325 18887 11689 1 20 . 1 1 38 38 VAL CB C 38 35.020 35.020 31.660 3.360 18887 11690 1 20 . 1 1 38 38 VAL H H 38 8.760 8.760 8.623 0.137 18887 11691 1 20 . 1 1 39 39 GLU N N 39 114.800 114.800 128.295 -13.495 18887 11692 1 20 . 1 1 39 39 GLU HA H 39 5.020 5.020 4.744 0.276 18887 11693 1 20 . 1 1 39 39 GLU C C 39 175.680 175.680 175.340 0.340 18887 11694 1 20 . 1 1 39 39 GLU CA C 39 55.680 55.680 55.086 0.594 18887 11695 1 20 . 1 1 39 39 GLU CB C 39 33.940 33.940 32.740 1.200 18887 11696 1 20 . 1 1 39 39 GLU H H 39 9.210 9.210 9.082 0.128 18887 11697 1 20 . 1 1 40 40 THR N N 40 115.120 115.120 121.835 -6.715 18887 11698 1 20 . 1 1 40 40 THR HA H 40 5.180 5.180 4.795 0.385 18887 11699 1 20 . 1 1 40 40 THR C C 40 174.200 174.200 172.649 1.551 18887 11700 1 20 . 1 1 40 40 THR CA C 40 59.710 59.710 62.055 -2.345 18887 11701 1 20 . 1 1 40 40 THR CB C 40 71.270 71.270 69.647 1.623 18887 11702 1 20 . 1 1 40 40 THR H H 40 8.500 8.500 8.535 -0.035 18887 11703 1 20 . 1 1 41 41 GLN N N 41 119.850 119.850 128.259 -8.409 18887 11704 1 20 . 1 1 41 41 GLN HA H 41 4.990 4.990 5.279 -0.289 18887 11705 1 20 . 1 1 41 41 GLN C C 41 175.110 175.110 174.826 0.284 18887 11706 1 20 . 1 1 41 41 GLN CA C 41 54.980 54.980 53.427 1.553 18887 11707 1 20 . 1 1 41 41 GLN CB C 41 29.780 29.780 32.823 -3.043 18887 11708 1 20 . 1 1 41 41 GLN H H 41 8.470 8.470 8.981 -0.511 18887 11709 1 20 . 1 1 42 42 GLY N N 42 109.530 109.530 113.145 -3.615 18887 11710 1 20 . 1 1 42 42 GLY C C 42 174.750 174.750 172.590 2.160 18887 11711 1 20 . 1 1 42 42 GLY CA C 42 45.630 45.630 45.182 0.448 18887 11712 1 20 . 1 1 42 42 GLY H H 42 7.890 7.890 8.739 -0.849 18887 11713 1 20 . 1 1 43 43 ALA N N 43 123.850 123.850 123.086 0.764 18887 11714 1 20 . 1 1 43 43 ALA HA H 43 4.170 4.170 4.668 -0.498 18887 11715 1 20 . 1 1 43 43 ALA C C 43 169.490 169.490 177.099 -7.609 18887 11716 1 20 . 1 1 43 43 ALA CA C 43 56.170 56.170 51.747 4.423 18887 11717 1 20 . 1 1 43 43 ALA CB C 43 19.910 19.910 19.398 0.511 18887 11718 1 20 . 1 1 43 43 ALA H H 43 8.730 8.730 7.999 0.731 18887 11719 1 20 . 1 1 44 44 THR N N 44 122.380 122.380 113.456 8.924 18887 11720 1 20 . 1 1 44 44 THR HA H 44 4.390 4.390 3.991 0.399 18887 11721 1 20 . 1 1 44 44 THR C C 44 174.260 174.260 173.916 0.344 18887 11722 1 20 . 1 1 44 44 THR CA C 44 62.190 62.190 62.560 -0.370 18887 11723 1 20 . 1 1 44 44 THR CB C 44 70.080 70.080 67.817 2.263 18887 11724 1 20 . 1 1 44 44 THR H H 44 7.950 7.950 8.435 -0.485 18887 11725 1 20 . 1 1 45 45 GLY N N 45 109.360 109.360 107.742 1.618 18887 11726 1 20 . 1 1 45 45 GLY C C 45 172.380 172.380 172.194 0.186 18887 11727 1 20 . 1 1 45 45 GLY CA C 45 45.510 45.510 44.835 0.675 18887 11728 1 20 . 1 1 45 45 GLY H H 45 7.560 7.560 7.797 -0.237 18887 11729 1 20 . 1 1 46 46 ILE N N 46 122.050 122.050 125.123 -3.073 18887 11730 1 20 . 1 1 46 46 ILE HA H 46 4.780 4.780 4.766 0.014 18887 11731 1 20 . 1 1 46 46 ILE C C 46 176.010 176.010 175.905 0.105 18887 11732 1 20 . 1 1 46 46 ILE CA C 46 61.950 61.950 60.451 1.499 18887 11733 1 20 . 1 1 46 46 ILE CB C 46 40.810 40.810 40.237 0.573 18887 11734 1 20 . 1 1 46 46 ILE H H 46 8.480 8.480 8.636 -0.156 18887 11735 1 20 . 1 1 47 47 GLU N N 47 109.160 109.160 126.427 -17.267 18887 11736 1 20 . 1 1 47 47 GLU HA H 47 4.660 4.660 4.372 0.288 18887 11737 1 20 . 1 1 47 47 GLU C C 47 174.750 174.750 177.555 -2.805 18887 11738 1 20 . 1 1 47 47 GLU CA C 47 55.940 55.940 57.716 -1.776 18887 11739 1 20 . 1 1 47 47 GLU CB C 47 33.640 33.640 30.377 3.263 18887 11740 1 20 . 1 1 47 47 GLU H H 47 9.000 9.000 9.059 -0.059 18887 11741 1 20 . 1 1 48 48 ASN N N 48 120.510 120.510 119.992 0.518 18887 11742 1 20 . 1 1 48 48 ASN HA H 48 4.230 4.230 4.800 -0.570 18887 11743 1 20 . 1 1 48 48 ASN C C 48 173.090 173.090 174.119 -1.029 18887 11744 1 20 . 1 1 48 48 ASN CA C 48 54.770 54.770 52.074 2.696 18887 11745 1 20 . 1 1 48 48 ASN CB C 48 38.800 38.800 37.123 1.677 18887 11746 1 20 . 1 1 48 48 ASN H H 48 8.930 8.930 8.211 0.719 18887 11747 1 20 . 1 1 49 49 GLU N N 49 114.160 114.160 121.864 -7.704 18887 11748 1 20 . 1 1 49 49 GLU HA H 49 3.890 3.890 4.205 -0.315 18887 11749 1 20 . 1 1 49 49 GLU C C 49 177.780 177.780 176.490 1.290 18887 11750 1 20 . 1 1 49 49 GLU CA C 49 57.870 57.870 56.986 0.884 18887 11751 1 20 . 1 1 49 49 GLU CB C 49 31.900 31.900 29.485 2.415 18887 11752 1 20 . 1 1 49 49 GLU H H 49 7.690 7.690 7.811 -0.121 18887 11753 1 20 . 1 1 50 50 LEU N N 50 109.440 109.440 129.612 -20.172 18887 11754 1 20 . 1 1 50 50 LEU HA H 50 4.680 4.680 4.425 0.255 18887 11755 1 20 . 1 1 50 50 LEU C C 50 177.490 177.490 177.590 -0.100 18887 11756 1 20 . 1 1 50 50 LEU CA C 50 55.520 55.520 54.933 0.587 18887 11757 1 20 . 1 1 50 50 LEU CB C 50 43.440 43.440 42.270 1.171 18887 11758 1 20 . 1 1 50 50 LEU H H 50 9.560 9.560 9.428 0.132 18887 11759 1 20 . 1 1 51 51 THR N N 51 117.490 117.490 114.544 2.946 18887 11760 1 20 . 1 1 51 51 THR HA H 51 4.420 4.420 4.329 0.091 18887 11761 1 20 . 1 1 51 51 THR C C 51 175.010 175.010 175.441 -0.431 18887 11762 1 20 . 1 1 51 51 THR CA C 51 61.230 61.230 60.933 0.297 18887 11763 1 20 . 1 1 51 51 THR CB C 51 72.860 72.860 70.793 2.067 18887 11764 1 20 . 1 1 51 51 THR H H 51 9.380 9.380 8.467 0.913 18887 11765 1 20 . 1 1 52 52 GLU N N 52 120.490 120.490 122.662 -2.172 18887 11766 1 20 . 1 1 52 52 GLU HA H 52 3.860 3.860 3.974 -0.114 18887 11767 1 20 . 1 1 52 52 GLU C C 52 178.660 178.660 178.371 0.289 18887 11768 1 20 . 1 1 52 52 GLU CA C 52 61.130 61.130 60.169 0.961 18887 11769 1 20 . 1 1 52 52 GLU CB C 52 30.280 30.280 29.415 0.865 18887 11770 1 20 . 1 1 52 52 GLU H H 52 8.910 8.910 9.037 -0.127 18887 11771 1 20 . 1 1 53 53 LYS N N 53 118.660 118.660 118.602 0.058 18887 11772 1 20 . 1 1 53 53 LYS HA H 53 4.020 4.020 4.011 0.009 18887 11773 1 20 . 1 1 53 53 LYS C C 53 178.190 178.190 178.883 -0.693 18887 11774 1 20 . 1 1 53 53 LYS CA C 53 60.390 60.390 59.472 0.918 18887 11775 1 20 . 1 1 53 53 LYS CB C 53 33.210 33.210 32.123 1.087 18887 11776 1 20 . 1 1 53 53 LYS H H 53 7.890 7.890 8.156 -0.266 18887 11777 1 20 . 1 1 54 54 ASP N N 54 118.400 118.400 120.062 -1.662 18887 11778 1 20 . 1 1 54 54 ASP HA H 54 4.200 4.200 4.406 -0.206 18887 11779 1 20 . 1 1 54 54 ASP C C 54 169.070 169.070 178.852 -9.782 18887 11780 1 20 . 1 1 54 54 ASP CA C 54 58.300 58.300 57.593 0.707 18887 11781 1 20 . 1 1 54 54 ASP CB C 54 43.110 43.110 40.695 2.415 18887 11782 1 20 . 1 1 54 54 ASP H H 54 7.440 7.440 8.014 -0.574 18887 11783 1 20 . 1 1 55 55 VAL N N 55 118.420 118.420 120.136 -1.716 18887 11784 1 20 . 1 1 55 55 VAL HA H 55 3.520 3.520 3.832 -0.312 18887 11785 1 20 . 1 1 55 55 VAL C C 55 176.980 176.980 177.247 -0.267 18887 11786 1 20 . 1 1 55 55 VAL CA C 55 66.950 66.950 66.349 0.601 18887 11787 1 20 . 1 1 55 55 VAL CB C 55 32.360 32.360 31.255 1.105 18887 11788 1 20 . 1 1 55 55 VAL H H 55 8.150 8.150 7.988 0.162 18887 11789 1 20 . 1 1 56 56 ASN N N 56 117.100 117.100 115.731 1.369 18887 11790 1 20 . 1 1 56 56 ASN HA H 56 4.410 4.410 4.572 -0.162 18887 11791 1 20 . 1 1 56 56 ASN C C 56 177.330 177.330 177.768 -0.438 18887 11792 1 20 . 1 1 56 56 ASN CA C 56 57.170 57.170 55.533 1.637 18887 11793 1 20 . 1 1 56 56 ASN CB C 56 39.930 39.930 39.132 0.798 18887 11794 1 20 . 1 1 56 56 ASN H H 56 8.000 8.000 7.832 0.168 18887 11795 1 20 . 1 1 57 57 ILE N N 57 115.580 115.580 117.959 -2.379 18887 11796 1 20 . 1 1 57 57 ILE HA H 57 3.950 3.950 4.103 -0.153 18887 11797 1 20 . 1 1 57 57 ILE C C 57 176.980 176.980 177.215 -0.235 18887 11798 1 20 . 1 1 57 57 ILE CA C 57 63.240 63.240 62.006 1.234 18887 11799 1 20 . 1 1 57 57 ILE CB C 57 39.890 39.890 37.716 2.174 18887 11800 1 20 . 1 1 57 57 ILE H H 57 7.600 7.600 8.139 -0.539 18887 11801 1 20 . 1 1 58 58 GLY N N 58 124.080 124.080 107.727 16.353 18887 11802 1 20 . 1 1 58 58 GLY C C 58 173.190 173.190 175.068 -1.878 18887 11803 1 20 . 1 1 58 58 GLY CA C 58 47.110 47.110 44.964 2.146 18887 11804 1 20 . 1 1 58 58 GLY H H 58 7.630 7.630 8.025 -0.395 18887 11805 1 20 . 1 1 59 59 GLU N N 59 123.240 123.240 125.826 -2.586 18887 11806 1 20 . 1 1 59 59 GLU HA H 59 4.240 4.240 4.258 -0.018 18887 11807 1 20 . 1 1 59 59 GLU C C 59 176.750 176.750 176.938 -0.188 18887 11808 1 20 . 1 1 59 59 GLU CA C 59 59.830 59.830 58.679 1.151 18887 11809 1 20 . 1 1 59 59 GLU CB C 59 33.100 33.100 30.340 2.760 18887 11810 1 20 . 1 1 59 59 GLU H H 59 9.350 9.350 8.320 1.030 18887 11811 1 20 . 1 1 60 60 VAL N N 60 114.370 114.370 112.176 2.194 18887 11812 1 20 . 1 1 60 60 VAL HA H 60 4.410 4.410 4.962 -0.552 18887 11813 1 20 . 1 1 60 60 VAL C C 60 170.270 170.270 174.681 -4.411 18887 11814 1 20 . 1 1 60 60 VAL CA C 60 60.710 60.710 60.089 0.621 18887 11815 1 20 . 1 1 60 60 VAL CB C 60 35.150 35.150 33.701 1.449 18887 11816 1 20 . 1 1 60 60 VAL H H 60 7.640 7.640 7.692 -0.052 18887 11817 1 20 . 1 1 61 61 VAL N N 61 125.780 125.780 122.390 3.390 18887 11818 1 20 . 1 1 61 61 VAL HA H 61 4.970 4.970 4.615 0.355 18887 11819 1 20 . 1 1 61 61 VAL C C 61 174.450 174.450 175.230 -0.780 18887 11820 1 20 . 1 1 61 61 VAL CA C 61 60.260 60.260 60.082 0.178 18887 11821 1 20 . 1 1 61 61 VAL CB C 61 34.710 34.710 32.379 2.331 18887 11822 1 20 . 1 1 61 61 VAL H H 61 8.290 8.290 8.789 -0.499 18887 11823 1 20 . 1 1 62 62 ILE N N 62 124.740 124.740 128.252 -3.512 18887 11824 1 20 . 1 1 62 62 ILE HA H 62 4.820 4.820 4.373 0.447 18887 11825 1 20 . 1 1 62 62 ILE C C 62 175.020 175.020 174.796 0.224 18887 11826 1 20 . 1 1 62 62 ILE CA C 62 60.490 60.490 60.622 -0.132 18887 11827 1 20 . 1 1 62 62 ILE CB C 62 42.560 42.560 38.504 4.056 18887 11828 1 20 . 1 1 62 62 ILE H H 62 8.580 8.580 8.683 -0.103 18887 11829 1 20 . 1 1 63 63 PHE N N 63 109.510 109.510 127.982 -18.472 18887 11830 1 20 . 1 1 63 63 PHE HA H 63 5.490 5.490 5.063 0.427 18887 11831 1 20 . 1 1 63 63 PHE C C 63 173.600 173.600 174.504 -0.904 18887 11832 1 20 . 1 1 63 63 PHE CA C 63 53.020 53.020 54.230 -1.210 18887 11833 1 20 . 1 1 63 63 PHE CB C 63 40.150 40.150 39.085 1.065 18887 11834 1 20 . 1 1 63 63 PHE H H 63 9.320 9.320 9.211 0.109 18887 11835 1 20 . 1 1 64 64 ALA N N 64 112.790 112.790 129.127 -16.337 18887 11836 1 20 . 1 1 64 64 ALA HA H 64 5.430 5.430 5.421 0.009 18887 11837 1 20 . 1 1 64 64 ALA C C 64 175.040 175.040 176.165 -1.125 18887 11838 1 20 . 1 1 64 64 ALA CA C 64 50.740 50.740 50.340 0.400 18887 11839 1 20 . 1 1 64 64 ALA CB C 64 19.690 19.690 18.868 0.822 18887 11840 1 20 . 1 1 64 64 ALA H H 64 8.840 8.840 8.308 0.532 18887 11841 1 20 . 1 1 65 65 VAL N N 65 110.260 110.260 118.142 -7.882 18887 11842 1 20 . 1 1 65 65 VAL HA H 65 5.690 5.690 5.033 0.657 18887 11843 1 20 . 1 1 65 65 VAL C C 65 175.380 175.380 174.755 0.625 18887 11844 1 20 . 1 1 65 65 VAL CA C 65 59.060 59.060 59.804 -0.744 18887 11845 1 20 . 1 1 65 65 VAL CB C 65 38.800 38.800 34.969 3.831 18887 11846 1 20 . 1 1 65 65 VAL H H 65 8.080 8.080 7.793 0.287 18887 11847 1 20 . 1 1 66 66 ASP N N 66 119.250 119.250 116.859 2.391 18887 11848 1 20 . 1 1 66 66 ASP HA H 66 4.870 4.870 4.596 0.274 18887 11849 1 20 . 1 1 66 66 ASP C C 66 175.600 175.600 175.148 0.452 18887 11850 1 20 . 1 1 66 66 ASP CA C 66 53.780 53.780 55.259 -1.479 18887 11851 1 20 . 1 1 66 66 ASP CB C 66 42.910 42.910 42.380 0.530 18887 11852 1 20 . 1 1 66 66 ASP H H 66 7.760 7.760 8.566 -0.806 18887 11853 1 20 . 1 1 67 67 THR N N 67 112.330 112.330 113.343 -1.013 18887 11854 1 20 . 1 1 67 67 THR HA H 67 4.510 4.510 4.541 -0.031 18887 11855 1 20 . 1 1 67 67 THR C C 67 172.370 172.370 173.633 -1.263 18887 11856 1 20 . 1 1 67 67 THR CA C 67 59.650 59.650 60.700 -1.050 18887 11857 1 20 . 1 1 67 67 THR CB C 67 70.230 70.230 70.597 -0.367 18887 11858 1 20 . 1 1 67 67 THR H H 67 7.070 7.070 7.842 -0.772 18887 11859 1 20 . 1 1 68 68 LYS N N 68 121.380 121.380 121.024 0.356 18887 11860 1 20 . 1 1 68 68 LYS HA H 68 4.080 4.080 4.289 -0.209 18887 11861 1 20 . 1 1 68 68 LYS C C 68 176.250 176.250 175.782 0.468 18887 11862 1 20 . 1 1 68 68 LYS CA C 68 57.470 57.470 55.585 1.885 18887 11863 1 20 . 1 1 68 68 LYS CB C 68 34.020 34.020 33.049 0.971 18887 11864 1 20 . 1 1 68 68 LYS H H 68 7.540 7.540 8.273 -0.733 18887 11865 1 20 . 1 1 69 69 VAL N N 69 125.310 125.310 113.380 11.930 18887 11866 1 20 . 1 1 69 69 VAL HA H 69 3.320 3.320 4.543 -1.223 18887 11867 1 20 . 1 1 69 69 VAL C C 69 175.890 175.890 175.616 0.274 18887 11868 1 20 . 1 1 69 69 VAL CA C 69 64.110 64.110 60.260 3.850 18887 11869 1 20 . 1 1 69 69 VAL CB C 69 33.810 33.810 34.167 -0.357 18887 11870 1 20 . 1 1 69 69 VAL H H 69 8.320 8.320 7.845 0.475 18887 11871 1 20 . 1 1 70 70 ARG N N 70 111.240 111.240 123.894 -12.654 18887 11872 1 20 . 1 1 70 70 ARG HA H 70 4.160 4.160 4.244 -0.084 18887 11873 1 20 . 1 1 70 70 ARG C C 70 177.030 177.030 177.556 -0.526 18887 11874 1 20 . 1 1 70 70 ARG CA C 70 57.630 57.630 58.008 -0.378 18887 11875 1 20 . 1 1 70 70 ARG CB C 70 31.440 31.440 30.765 0.675 18887 11876 1 20 . 1 1 70 70 ARG H H 70 9.580 9.580 8.675 0.905 18887 11877 1 20 . 1 1 71 71 ASN N N 71 120.660 120.660 118.029 2.631 18887 11878 1 20 . 1 1 71 71 ASN HA H 71 4.670 4.670 4.536 0.134 18887 11879 1 20 . 1 1 71 71 ASN C C 71 177.530 177.530 176.473 1.057 18887 11880 1 20 . 1 1 71 71 ASN CA C 71 54.770 54.770 54.445 0.325 18887 11881 1 20 . 1 1 71 71 ASN CB C 71 37.130 37.130 37.753 -0.623 18887 11882 1 20 . 1 1 71 71 ASN H H 71 9.170 9.170 8.893 0.277 18887 11883 1 20 . 1 1 72 72 LYS N N 72 120.730 120.730 119.075 1.655 18887 11884 1 20 . 1 1 72 72 LYS HA H 72 4.010 4.010 4.477 -0.467 18887 11885 1 20 . 1 1 72 72 LYS C C 72 177.790 177.790 177.875 -0.085 18887 11886 1 20 . 1 1 72 72 LYS CA C 72 59.910 59.910 59.172 0.738 18887 11887 1 20 . 1 1 72 72 LYS CB C 72 33.260 33.260 31.748 1.512 18887 11888 1 20 . 1 1 72 72 LYS H H 72 8.400 8.400 8.544 -0.144 18887 11889 1 20 . 1 1 73 73 GLU N N 73 122.670 122.670 119.370 3.300 18887 11890 1 20 . 1 1 73 73 GLU HA H 73 4.160 4.160 3.968 0.192 18887 11891 1 20 . 1 1 73 73 GLU C C 73 177.620 177.620 179.120 -1.500 18887 11892 1 20 . 1 1 73 73 GLU CA C 73 60.380 60.380 59.161 1.218 18887 11893 1 20 . 1 1 73 73 GLU CB C 73 28.660 28.660 29.221 -0.561 18887 11894 1 20 . 1 1 73 73 GLU H H 73 9.960 9.960 7.774 2.186 18887 11895 1 20 . 1 1 74 74 ARG N N 74 117.370 117.370 117.177 0.193 18887 11896 1 20 . 1 1 74 74 ARG HA H 74 3.770 3.770 4.153 -0.383 18887 11897 1 20 . 1 1 74 74 ARG C C 74 177.380 177.380 177.350 0.030 18887 11898 1 20 . 1 1 74 74 ARG CA C 74 59.010 59.010 57.676 1.334 18887 11899 1 20 . 1 1 74 74 ARG CB C 74 32.720 32.720 30.140 2.580 18887 11900 1 20 . 1 1 74 74 ARG H H 74 6.830 6.830 7.582 -0.752 18887 11901 1 20 . 1 1 75 75 PHE N N 75 112.920 112.920 117.178 -4.258 18887 11902 1 20 . 1 1 75 75 PHE HA H 75 4.280 4.280 4.489 -0.209 18887 11903 1 20 . 1 1 75 75 PHE C C 75 174.870 174.870 175.731 -0.861 18887 11904 1 20 . 1 1 75 75 PHE CA C 75 57.370 57.370 58.149 -0.779 18887 11905 1 20 . 1 1 75 75 PHE CB C 75 39.380 39.380 38.641 0.739 18887 11906 1 20 . 1 1 75 75 PHE H H 75 7.670 7.670 6.997 0.673 18887 11907 1 20 . 1 1 76 76 ASP N N 76 121.780 121.780 120.661 1.119 18887 11908 1 20 . 1 1 76 76 ASP HA H 76 4.380 4.380 4.524 -0.144 18887 11909 1 20 . 1 1 76 76 ASP C C 76 177.380 177.380 177.216 0.164 18887 11910 1 20 . 1 1 76 76 ASP CA C 76 57.700 57.700 56.372 1.328 18887 11911 1 20 . 1 1 76 76 ASP CB C 76 41.270 41.270 41.254 0.016 18887 11912 1 20 . 1 1 76 76 ASP H H 76 7.210 7.210 7.600 -0.390 18887 11913 1 20 . 1 1 77 77 GLY N N 77 111.910 111.910 112.751 -0.841 18887 11914 1 20 . 1 1 77 77 GLY C C 77 174.310 174.310 174.370 -0.060 18887 11915 1 20 . 1 1 77 77 GLY CA C 77 46.290 46.290 44.928 1.362 18887 11916 1 20 . 1 1 77 77 GLY H H 77 8.920 8.920 8.475 0.445 18887 11917 1 20 . 1 1 78 78 LYS N N 78 117.910 117.910 120.755 -2.845 18887 11918 1 20 . 1 1 78 78 LYS HA H 78 4.540 4.540 4.698 -0.158 18887 11919 1 20 . 1 1 78 78 LYS C C 78 175.910 175.910 176.182 -0.272 18887 11920 1 20 . 1 1 78 78 LYS CA C 78 53.410 53.410 55.323 -1.913 18887 11921 1 20 . 1 1 78 78 LYS CB C 78 32.780 32.780 34.105 -1.325 18887 11922 1 20 . 1 1 78 78 LYS H H 78 7.700 7.700 7.698 0.002 18887 11923 1 20 . 1 1 79 79 VAL N N 79 124.500 124.500 121.298 3.202 18887 11924 1 20 . 1 1 79 79 VAL HA H 79 3.850 3.850 4.137 -0.287 18887 11925 1 20 . 1 1 79 79 VAL C C 79 174.140 174.140 174.828 -0.688 18887 11926 1 20 . 1 1 79 79 VAL CA C 79 64.810 64.810 62.423 2.387 18887 11927 1 20 . 1 1 79 79 VAL CB C 79 32.390 32.390 31.922 0.468 18887 11928 1 20 . 1 1 79 79 VAL H H 79 8.890 8.890 8.445 0.445 18887 11929 1 20 . 1 1 80 80 VAL N N 80 125.810 125.810 126.601 -0.791 18887 11930 1 20 . 1 1 80 80 VAL HA H 80 4.690 4.690 4.667 0.023 18887 11931 1 20 . 1 1 80 80 VAL C C 80 175.270 175.270 174.840 0.430 18887 11932 1 20 . 1 1 80 80 VAL CA C 80 60.670 60.670 60.266 0.404 18887 11933 1 20 . 1 1 80 80 VAL CB C 80 35.970 35.970 34.198 1.772 18887 11934 1 20 . 1 1 80 80 VAL H H 80 7.860 7.860 8.375 -0.515 18887 11935 1 20 . 1 1 81 81 LEU N N 81 110.550 110.550 128.542 -17.992 18887 11936 1 20 . 1 1 81 81 LEU HA H 81 4.490 4.490 4.801 -0.311 18887 11937 1 20 . 1 1 81 81 LEU C C 81 173.930 173.930 174.668 -0.738 18887 11938 1 20 . 1 1 81 81 LEU CA C 81 54.410 54.410 53.801 0.609 18887 11939 1 20 . 1 1 81 81 LEU CB C 81 45.100 45.100 44.624 0.476 18887 11940 1 20 . 1 1 81 81 LEU H H 81 8.790 8.790 9.098 -0.308 18887 11941 1 20 . 1 1 82 82 GLU N N 82 111.070 111.070 127.073 -16.003 18887 11942 1 20 . 1 1 82 82 GLU HA H 82 5.460 5.460 5.200 0.260 18887 11943 1 20 . 1 1 82 82 GLU C C 82 175.440 175.440 175.592 -0.152 18887 11944 1 20 . 1 1 82 82 GLU CA C 82 56.010 56.010 55.403 0.607 18887 11945 1 20 . 1 1 82 82 GLU CB C 82 32.100 32.100 31.361 0.739 18887 11946 1 20 . 1 1 82 82 GLU H H 82 8.750 8.750 8.744 0.006 18887 11947 1 20 . 1 1 83 83 VAL N N 83 119.980 119.980 118.641 1.339 18887 11948 1 20 . 1 1 83 83 VAL HA H 83 4.950 4.950 4.800 0.150 18887 11949 1 20 . 1 1 83 83 VAL C C 83 172.120 172.120 173.331 -1.211 18887 11950 1 20 . 1 1 83 83 VAL CA C 83 58.760 58.760 58.098 0.662 18887 11951 1 20 . 1 1 83 83 VAL CB C 83 34.570 34.570 34.087 0.483 18887 11952 1 20 . 1 1 83 83 VAL H H 83 9.390 9.390 8.910 0.480 18887 11953 1 20 . 1 1 84 84 PRO HA H 84 4.740 4.740 4.656 0.084 18887 11954 1 20 . 1 1 84 84 PRO C C 84 178.300 178.300 178.055 0.245 18887 11955 1 20 . 1 1 84 84 PRO CA C 84 63.330 63.330 62.851 0.479 18887 11956 1 20 . 1 1 84 84 PRO CB C 84 33.430 33.430 32.219 1.210 18887 11957 1 20 . 1 1 85 85 VAL N N 85 122.390 122.390 123.850 -1.460 18887 11958 1 20 . 1 1 85 85 VAL HA H 85 3.320 3.320 3.750 -0.430 18887 11959 1 20 . 1 1 85 85 VAL C C 85 174.190 174.190 176.545 -2.355 18887 11960 1 20 . 1 1 85 85 VAL CA C 85 66.540 66.540 65.166 1.374 18887 11961 1 20 . 1 1 85 85 VAL CB C 85 32.970 32.970 32.114 0.856 18887 11962 1 20 . 1 1 85 85 VAL H H 85 7.240 7.240 8.189 -0.949 18887 11963 1 20 . 1 1 86 86 SER N N 86 125.590 125.590 113.372 12.218 18887 11964 1 20 . 1 1 86 86 SER HA H 86 4.020 4.020 4.213 -0.193 18887 11965 1 20 . 1 1 86 86 SER C C 86 176.940 176.940 175.297 1.643 18887 11966 1 20 . 1 1 86 86 SER CA C 86 60.200 60.200 61.067 -0.867 18887 11967 1 20 . 1 1 86 86 SER CB C 86 64.060 64.060 63.067 0.993 18887 11968 1 20 . 1 1 86 86 SER H H 86 7.600 7.600 8.287 -0.687 18887 11969 1 20 . 1 1 87 87 ALA N N 87 125.200 125.200 124.314 0.886 18887 11970 1 20 . 1 1 87 87 ALA HA H 87 4.280 4.280 4.372 -0.092 18887 11971 1 20 . 1 1 87 87 ALA C C 87 177.370 177.370 175.974 1.396 18887 11972 1 20 . 1 1 87 87 ALA CA C 87 57.600 57.600 55.922 1.677 18887 11973 1 20 . 1 1 87 87 ALA CB C 87 16.620 16.620 16.622 -0.002 18887 11974 1 20 . 1 1 87 87 ALA H H 87 7.870 7.870 7.761 0.109 18887 11975 1 20 . 1 1 88 88 PRO HA H 88 4.000 4.000 4.216 -0.216 18887 11976 1 20 . 1 1 88 88 PRO C C 88 175.090 175.090 177.689 -2.599 18887 11977 1 20 . 1 1 88 88 PRO CA C 88 65.410 65.410 65.347 0.063 18887 11978 1 20 . 1 1 88 88 PRO CB C 88 32.130 32.130 31.057 1.073 18887 11979 1 20 . 1 1 89 89 ILE N N 89 114.700 114.700 116.633 -1.933 18887 11980 1 20 . 1 1 89 89 ILE HA H 89 3.310 3.310 3.778 -0.468 18887 11981 1 20 . 1 1 89 89 ILE C C 89 177.850 177.850 177.381 0.469 18887 11982 1 20 . 1 1 89 89 ILE CA C 89 66.320 66.320 64.324 1.996 18887 11983 1 20 . 1 1 89 89 ILE CB C 89 38.790 38.790 37.517 1.273 18887 11984 1 20 . 1 1 89 89 ILE H H 89 6.300 6.300 7.335 -1.035 18887 11985 1 20 . 1 1 90 90 LYS N N 90 118.530 118.530 117.730 0.800 18887 11986 1 20 . 1 1 90 90 LYS HA H 90 4.060 4.060 4.426 -0.366 18887 11987 1 20 . 1 1 90 90 LYS C C 90 177.390 177.390 177.699 -0.309 18887 11988 1 20 . 1 1 90 90 LYS CA C 90 59.710 59.710 56.857 2.853 18887 11989 1 20 . 1 1 90 90 LYS CB C 90 33.940 33.940 33.319 0.621 18887 11990 1 20 . 1 1 90 90 LYS H H 90 7.440 7.440 7.587 -0.147 18887 11991 1 20 . 1 1 91 91 ASP N N 91 114.670 114.670 120.409 -5.739 18887 11992 1 20 . 1 1 91 91 ASP HA H 91 4.530 4.530 4.825 -0.295 18887 11993 1 20 . 1 1 91 91 ASP C C 91 174.350 174.350 176.263 -1.913 18887 11994 1 20 . 1 1 91 91 ASP CA C 91 55.120 55.120 54.065 1.055 18887 11995 1 20 . 1 1 91 91 ASP CB C 91 41.530 41.530 40.503 1.027 18887 11996 1 20 . 1 1 91 91 ASP H H 91 7.700 7.700 8.469 -0.769 18887 11997 1 20 . 1 1 92 92 ALA N N 92 111.350 111.350 123.855 -12.505 18887 11998 1 20 . 1 1 92 92 ALA HA H 92 3.830 3.830 3.891 -0.061 18887 11999 1 20 . 1 1 92 92 ALA C C 92 169.330 169.330 178.983 -9.653 18887 12000 1 20 . 1 1 92 92 ALA CA C 92 57.220 57.220 55.899 1.321 18887 12001 1 20 . 1 1 92 92 ALA CB C 92 20.700 20.700 18.560 2.140 18887 12002 1 20 . 1 1 92 92 ALA H H 92 8.860 8.860 8.007 0.853 18887 12003 1 20 . 1 1 93 93 GLU N N 93 117.860 117.860 116.753 1.107 18887 12004 1 20 . 1 1 93 93 GLU HA H 93 3.860 3.860 3.960 -0.100 18887 12005 1 20 . 1 1 93 93 GLU C C 93 177.970 177.970 178.684 -0.714 18887 12006 1 20 . 1 1 93 93 GLU CA C 93 61.240 61.240 59.419 1.821 18887 12007 1 20 . 1 1 93 93 GLU CB C 93 30.570 30.570 28.950 1.620 18887 12008 1 20 . 1 1 93 93 GLU H H 93 8.520 8.520 8.792 -0.272 18887 12009 1 20 . 1 1 94 94 LYS N N 94 119.790 119.790 120.256 -0.466 18887 12010 1 20 . 1 1 94 94 LYS HA H 94 3.930 3.930 4.124 -0.194 18887 12011 1 20 . 1 1 94 94 LYS C C 94 169.840 169.840 178.815 -8.975 18887 12012 1 20 . 1 1 94 94 LYS CA C 94 60.600 60.600 58.725 1.875 18887 12013 1 20 . 1 1 94 94 LYS CB C 94 33.550 33.550 31.836 1.714 18887 12014 1 20 . 1 1 94 94 LYS H H 94 7.670 7.670 7.828 -0.158 18887 12015 1 20 . 1 1 95 95 VAL N N 95 118.850 118.850 120.077 -1.227 18887 12016 1 20 . 1 1 95 95 VAL HA H 95 3.590 3.590 3.725 -0.135 18887 12017 1 20 . 1 1 95 95 VAL C C 95 176.620 176.620 178.150 -1.530 18887 12018 1 20 . 1 1 95 95 VAL CA C 95 67.220 67.220 66.338 0.882 18887 12019 1 20 . 1 1 95 95 VAL CB C 95 32.880 32.880 31.333 1.547 18887 12020 1 20 . 1 1 95 95 VAL H H 95 7.150 7.150 8.247 -1.097 18887 12021 1 20 . 1 1 96 96 ILE N N 96 119.120 119.120 120.656 -1.536 18887 12022 1 20 . 1 1 96 96 ILE HA H 96 3.380 3.380 3.532 -0.152 18887 12023 1 20 . 1 1 96 96 ILE C C 96 177.750 177.750 178.155 -0.405 18887 12024 1 20 . 1 1 96 96 ILE CA C 96 67.190 67.190 65.800 1.390 18887 12025 1 20 . 1 1 96 96 ILE CB C 96 38.440 38.440 37.380 1.060 18887 12026 1 20 . 1 1 96 96 ILE H H 96 8.380 8.380 8.393 -0.013 18887 12027 1 20 . 1 1 97 97 ASN N N 97 117.000 117.000 118.195 -1.195 18887 12028 1 20 . 1 1 97 97 ASN HA H 97 4.420 4.420 4.429 -0.009 18887 12029 1 20 . 1 1 97 97 ASN C C 97 178.380 178.380 177.576 0.804 18887 12030 1 20 . 1 1 97 97 ASN CA C 97 57.430 57.430 56.744 0.686 18887 12031 1 20 . 1 1 97 97 ASN CB C 97 39.030 39.030 38.581 0.449 18887 12032 1 20 . 1 1 97 97 ASN H H 97 8.730 8.730 8.163 0.567 18887 12033 1 20 . 1 1 98 98 ALA N N 98 123.790 123.790 122.826 0.964 18887 12034 1 20 . 1 1 98 98 ALA HA H 98 4.100 4.100 4.082 0.018 18887 12035 1 20 . 1 1 98 98 ALA C C 98 169.600 169.600 179.224 -9.624 18887 12036 1 20 . 1 1 98 98 ALA CA C 98 55.890 55.890 55.070 0.820 18887 12037 1 20 . 1 1 98 98 ALA CB C 98 18.850 18.850 18.170 0.680 18887 12038 1 20 . 1 1 98 98 ALA H H 98 7.950 7.950 8.098 -0.148 18887 12039 1 20 . 1 1 99 99 ALA N N 99 122.120 122.120 120.600 1.520 18887 12040 1 20 . 1 1 99 99 ALA HA H 99 3.930 3.930 3.994 -0.064 18887 12041 1 20 . 1 1 99 99 ALA C C 99 178.700 178.700 179.304 -0.604 18887 12042 1 20 . 1 1 99 99 ALA CA C 99 55.920 55.920 54.643 1.277 18887 12043 1 20 . 1 1 99 99 ALA CB C 99 18.960 18.960 18.597 0.363 18887 12044 1 20 . 1 1 99 99 ALA H H 99 7.930 7.930 7.821 0.109 18887 12045 1 20 . 1 1 100 100 LEU N N 100 115.870 115.870 117.698 -1.828 18887 12046 1 20 . 1 1 100 100 LEU HA H 100 3.900 3.900 4.111 -0.211 18887 12047 1 20 . 1 1 100 100 LEU C C 100 169.150 169.150 178.887 -9.737 18887 12048 1 20 . 1 1 100 100 LEU CA C 100 58.140 58.140 56.905 1.235 18887 12049 1 20 . 1 1 100 100 LEU CB C 100 41.730 41.730 41.931 -0.201 18887 12050 1 20 . 1 1 100 100 LEU H H 100 8.220 8.220 7.557 0.663 18887 12051 1 20 . 1 1 101 101 ALA N N 101 120.410 120.410 122.866 -2.456 18887 12052 1 20 . 1 1 101 101 ALA HA H 101 4.100 4.100 4.195 -0.095 18887 12053 1 20 . 1 1 101 101 ALA C C 101 169.730 169.730 178.887 -9.157 18887 12054 1 20 . 1 1 101 101 ALA CA C 101 55.680 55.680 55.144 0.536 18887 12055 1 20 . 1 1 101 101 ALA CB C 101 18.860 18.860 18.620 0.240 18887 12056 1 20 . 1 1 101 101 ALA H H 101 7.970 7.970 8.037 -0.067 18887 12057 1 20 . 1 1 102 102 LEU N N 102 115.090 115.090 114.586 0.504 18887 12058 1 20 . 1 1 102 102 LEU HA H 102 4.120 4.120 4.252 -0.132 18887 12059 1 20 . 1 1 102 102 LEU C C 102 169.060 169.060 178.023 -8.963 18887 12060 1 20 . 1 1 102 102 LEU CA C 102 57.870 57.870 56.741 1.129 18887 12061 1 20 . 1 1 102 102 LEU CB C 102 43.730 43.730 41.484 2.246 18887 12062 1 20 . 1 1 102 102 LEU H H 102 7.330 7.330 7.547 -0.217 18887 12063 1 20 . 1 1 103 103 ILE N N 103 110.170 110.170 113.552 -3.382 18887 12064 1 20 . 1 1 103 103 ILE HA H 103 4.430 4.430 4.387 0.043 18887 12065 1 20 . 1 1 103 103 ILE C C 103 176.670 176.670 176.627 0.043 18887 12066 1 20 . 1 1 103 103 ILE CA C 103 62.520 62.520 61.873 0.647 18887 12067 1 20 . 1 1 103 103 ILE CB C 103 40.020 40.020 39.828 0.192 18887 12068 1 20 . 1 1 103 103 ILE H H 103 7.140 7.140 7.541 -0.401 18887 12069 1 20 . 1 1 104 104 ASP N N 104 122.560 122.560 119.607 2.953 18887 12070 1 20 . 1 1 104 104 ASP HA H 104 4.650 4.650 4.607 0.043 18887 12071 1 20 . 1 1 104 104 ASP C C 104 176.670 176.670 175.632 1.038 18887 12072 1 20 . 1 1 104 104 ASP CA C 104 56.220 56.220 54.891 1.329 18887 12073 1 20 . 1 1 104 104 ASP CB C 104 42.080 42.080 42.982 -0.902 18887 12074 1 20 . 1 1 104 104 ASP H H 104 8.000 8.000 8.230 -0.230 18887 12075 1 20 . 1 1 105 105 GLU N N 105 120.750 120.750 117.968 2.782 18887 12076 1 20 . 1 1 105 105 GLU HA H 105 4.300 4.300 4.268 0.032 18887 12077 1 20 . 1 1 105 105 GLU C C 105 175.470 175.470 174.503 0.967 18887 12078 1 20 . 1 1 105 105 GLU CA C 105 57.640 57.640 57.042 0.598 18887 12079 1 20 . 1 1 105 105 GLU CB C 105 30.870 30.870 31.576 -0.706 18887 12080 1 20 . 1 1 105 105 GLU H H 105 8.030 8.030 8.286 -0.256 18887 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 101 6.672 2.013 6.393 18887 2 1 1 "Average Difference" HA 111 0.310 0.029 0.310 18887 3 1 1 "Average Difference" C 104 3.829 1.700 3.448 18887 4 1 1 "Average Difference" CA 104 1.516 -0.871 1.248 18887 5 1 1 "Average Difference" CB 97 1.715 -1.129 1.299 18887 6 1 1 "Average Difference" HN 101 0.594 0.079 0.591 18887 7 1 2 "Average Difference" N 101 6.627 1.586 6.466 18887 8 1 2 "Average Difference" HA 111 0.313 0.040 0.312 18887 9 1 2 "Average Difference" C 104 3.850 1.747 3.447 18887 10 1 2 "Average Difference" CA 104 1.533 -0.890 1.254 18887 11 1 2 "Average Difference" CB 97 1.689 -1.139 1.254 18887 12 1 2 "Average Difference" HN 101 0.580 0.005 0.583 18887 13 1 3 "Average Difference" N 101 6.730 1.620 6.564 18887 14 1 3 "Average Difference" HA 111 0.324 0.076 0.317 18887 15 1 3 "Average Difference" C 104 3.845 1.745 3.443 18887 16 1 3 "Average Difference" CA 104 1.482 -0.970 1.125 18887 17 1 3 "Average Difference" CB 97 1.679 -1.003 1.354 18887 18 1 3 "Average Difference" HN 101 0.617 0.010 0.620 18887 19 1 4 "Average Difference" N 101 6.776 1.856 6.549 18887 20 1 4 "Average Difference" HA 111 0.349 0.024 0.350 18887 21 1 4 "Average Difference" C 104 3.785 1.668 3.415 18887 22 1 4 "Average Difference" CA 104 1.568 -1.009 1.206 18887 23 1 4 "Average Difference" CB 97 1.601 -1.088 1.181 18887 24 1 4 "Average Difference" HN 101 0.617 0.013 0.619 18887 25 1 5 "Average Difference" N 101 6.844 1.906 6.606 18887 26 1 5 "Average Difference" HA 111 0.329 0.022 0.330 18887 27 1 5 "Average Difference" C 104 3.878 1.736 3.485 18887 28 1 5 "Average Difference" CA 104 1.508 -0.896 1.219 18887 29 1 5 "Average Difference" CB 97 1.677 -1.247 1.126 18887 30 1 5 "Average Difference" HN 101 0.578 0.045 0.579 18887 31 1 6 "Average Difference" N 101 6.798 1.616 6.636 18887 32 1 6 "Average Difference" HA 111 0.352 0.008 0.353 18887 33 1 6 "Average Difference" C 104 3.897 1.747 3.500 18887 34 1 6 "Average Difference" CA 104 1.623 -0.900 1.357 18887 35 1 6 "Average Difference" CB 97 1.660 -1.243 1.105 18887 36 1 6 "Average Difference" HN 101 0.590 0.027 0.592 18887 37 1 7 "Average Difference" N 101 6.726 1.635 6.556 18887 38 1 7 "Average Difference" HA 111 0.307 0.033 0.307 18887 39 1 7 "Average Difference" C 104 3.877 1.773 3.465 18887 40 1 7 "Average Difference" CA 104 1.498 -0.855 1.236 18887 41 1 7 "Average Difference" CB 97 1.751 -1.183 1.298 18887 42 1 7 "Average Difference" HN 101 0.600 0.034 0.602 18887 43 1 8 "Average Difference" N 101 6.675 2.015 6.395 18887 44 1 8 "Average Difference" HA 111 0.305 0.021 0.306 18887 45 1 8 "Average Difference" C 104 3.852 1.740 3.453 18887 46 1 8 "Average Difference" CA 104 1.494 -0.938 1.169 18887 47 1 8 "Average Difference" CB 97 1.811 -1.240 1.327 18887 48 1 8 "Average Difference" HN 101 0.561 0.032 0.563 18887 49 1 9 "Average Difference" N 101 6.675 1.403 6.558 18887 50 1 9 "Average Difference" HA 111 0.320 0.052 0.317 18887 51 1 9 "Average Difference" C 104 3.828 1.708 3.442 18887 52 1 9 "Average Difference" CA 104 1.522 -0.972 1.177 18887 53 1 9 "Average Difference" CB 97 1.752 -1.124 1.350 18887 54 1 9 "Average Difference" HN 101 0.551 0.018 0.554 18887 55 1 10 "Average Difference" N 101 7.006 1.698 6.831 18887 56 1 10 "Average Difference" HA 111 0.361 0.032 0.361 18887 57 1 10 "Average Difference" C 104 3.879 1.729 3.490 18887 58 1 10 "Average Difference" CA 104 1.592 -0.992 1.251 18887 59 1 10 "Average Difference" CB 97 1.703 -1.196 1.218 18887 60 1 10 "Average Difference" HN 101 0.572 0.026 0.575 18887 61 1 11 "Average Difference" N 101 6.774 1.641 6.605 18887 62 1 11 "Average Difference" HA 111 0.347 0.040 0.347 18887 63 1 11 "Average Difference" C 104 3.770 1.684 3.389 18887 64 1 11 "Average Difference" CA 104 1.568 -0.946 1.256 18887 65 1 11 "Average Difference" CB 97 1.675 -1.088 1.280 18887 66 1 11 "Average Difference" HN 101 0.595 0.046 0.596 18887 67 1 12 "Average Difference" N 101 6.736 1.852 6.508 18887 68 1 12 "Average Difference" HA 111 0.317 0.038 0.316 18887 69 1 12 "Average Difference" C 104 3.912 1.753 3.514 18887 70 1 12 "Average Difference" CA 104 1.591 -0.922 1.303 18887 71 1 12 "Average Difference" CB 97 1.759 -1.174 1.316 18887 72 1 12 "Average Difference" HN 101 0.570 0.066 0.569 18887 73 1 13 "Average Difference" N 101 6.750 1.896 6.511 18887 74 1 13 "Average Difference" HA 111 0.308 0.012 0.309 18887 75 1 13 "Average Difference" C 104 3.845 1.678 3.476 18887 76 1 13 "Average Difference" CA 104 1.513 -0.957 1.177 18887 77 1 13 "Average Difference" CB 97 1.756 -1.241 1.249 18887 78 1 13 "Average Difference" HN 101 0.602 -0.027 0.604 18887 79 1 14 "Average Difference" N 101 6.995 1.708 6.817 18887 80 1 14 "Average Difference" HA 111 0.321 0.032 0.320 18887 81 1 14 "Average Difference" C 104 3.904 1.765 3.499 18887 82 1 14 "Average Difference" CA 104 1.584 -0.905 1.306 18887 83 1 14 "Average Difference" CB 97 1.758 -1.150 1.336 18887 84 1 14 "Average Difference" HN 101 0.581 -0.000 0.584 18887 85 1 15 "Average Difference" N 101 6.785 1.659 6.612 18887 86 1 15 "Average Difference" HA 111 0.305 0.050 0.302 18887 87 1 15 "Average Difference" C 104 3.848 1.787 3.425 18887 88 1 15 "Average Difference" CA 104 1.615 -0.972 1.295 18887 89 1 15 "Average Difference" CB 97 1.785 -1.182 1.345 18887 90 1 15 "Average Difference" HN 101 0.579 -0.014 0.582 18887 91 1 16 "Average Difference" N 101 6.748 1.646 6.576 18887 92 1 16 "Average Difference" HA 111 0.319 0.035 0.318 18887 93 1 16 "Average Difference" C 104 3.877 1.712 3.495 18887 94 1 16 "Average Difference" CA 104 1.576 -0.975 1.244 18887 95 1 16 "Average Difference" CB 97 1.762 -1.184 1.312 18887 96 1 16 "Average Difference" HN 101 0.572 0.034 0.573 18887 97 1 17 "Average Difference" N 101 6.799 1.757 6.601 18887 98 1 17 "Average Difference" HA 111 0.306 0.027 0.306 18887 99 1 17 "Average Difference" C 104 3.861 1.708 3.480 18887 100 1 17 "Average Difference" CA 104 1.639 -0.898 1.378 18887 101 1 17 "Average Difference" CB 97 1.680 -1.159 1.224 18887 102 1 17 "Average Difference" HN 101 0.549 0.046 0.549 18887 103 1 18 "Average Difference" N 101 6.773 1.808 6.560 18887 104 1 18 "Average Difference" HA 111 0.329 0.031 0.329 18887 105 1 18 "Average Difference" C 104 3.822 1.702 3.439 18887 106 1 18 "Average Difference" CA 104 1.438 -0.807 1.197 18887 107 1 18 "Average Difference" CB 97 1.682 -1.181 1.203 18887 108 1 18 "Average Difference" HN 101 0.649 0.046 0.651 18887 109 1 19 "Average Difference" N 101 6.974 2.060 6.696 18887 110 1 19 "Average Difference" HA 111 0.315 0.024 0.316 18887 111 1 19 "Average Difference" C 104 3.841 1.699 3.462 18887 112 1 19 "Average Difference" CA 104 1.511 -0.873 1.239 18887 113 1 19 "Average Difference" CB 97 1.743 -1.204 1.267 18887 114 1 19 "Average Difference" HN 101 0.600 0.040 0.602 18887 115 1 20 "Average Difference" N 101 6.830 1.701 6.648 18887 116 1 20 "Average Difference" HA 111 0.323 0.037 0.322 18887 117 1 20 "Average Difference" C 104 3.860 1.778 3.443 18887 118 1 20 "Average Difference" CA 104 1.526 -0.934 1.213 18887 119 1 20 "Average Difference" CB 97 1.801 -1.234 1.319 18887 120 1 20 "Average Difference" HN 101 0.556 0.034 0.558 18887 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 18887 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 LYS N N 2 120.950 120.950 122.194 -1.244 18887 2 1 . 1 1 2 2 LYS HA H 2 4.330 4.330 4.421 -0.091 18887 3 1 . 1 1 2 2 LYS C C 2 176.040 176.040 175.756 0.284 18887 4 1 . 1 1 2 2 LYS CA C 2 57.850 57.850 56.047 1.803 18887 5 1 . 1 1 2 2 LYS CB C 2 33.480 33.480 31.597 1.883 18887 6 1 . 1 1 2 2 LYS H H 2 8.220 8.220 8.347 -0.127 18887 7 1 . 1 1 3 3 ARG N N 3 120.340 120.340 123.759 -3.419 18887 8 1 . 1 1 3 3 ARG HA H 3 4.660 4.660 4.294 0.366 18887 9 1 . 1 1 3 3 ARG C C 3 175.960 175.960 175.578 0.382 18887 10 1 . 1 1 3 3 ARG CA C 3 53.810 53.810 55.408 -1.598 18887 11 1 . 1 1 3 3 ARG CB C 3 29.710 29.710 31.771 -2.061 18887 12 1 . 1 1 3 3 ARG H H 3 8.220 8.220 8.436 -0.216 18887 13 1 . 1 1 4 4 LYS N N 4 121.540 121.540 125.635 -4.095 18887 14 1 . 1 1 4 4 LYS HA H 4 4.770 4.770 4.876 -0.106 18887 15 1 . 1 1 4 4 LYS C C 4 174.820 174.820 175.933 -1.113 18887 16 1 . 1 1 4 4 LYS CA C 4 57.230 57.230 55.388 1.842 18887 17 1 . 1 1 4 4 LYS CB C 4 33.800 33.800 32.075 1.725 18887 18 1 . 1 1 4 4 LYS H H 4 8.880 8.880 8.519 0.361 18887 19 1 . 1 1 5 5 ILE N N 5 125.030 125.030 125.939 -0.909 18887 20 1 . 1 1 5 5 ILE HA H 5 4.530 4.530 4.793 -0.263 18887 21 1 . 1 1 5 5 ILE C C 5 175.420 175.420 174.416 1.004 18887 22 1 . 1 1 5 5 ILE CA C 5 61.120 61.120 60.107 1.013 18887 23 1 . 1 1 5 5 ILE CB C 5 41.880 41.880 41.514 0.366 18887 24 1 . 1 1 5 5 ILE H H 5 8.760 8.760 9.026 -0.266 18887 25 1 . 1 1 6 6 ILE N N 6 119.270 119.270 122.294 -3.024 18887 26 1 . 1 1 6 6 ILE HA H 6 5.440 5.440 5.108 0.332 18887 27 1 . 1 1 6 6 ILE C C 6 173.880 173.880 173.740 0.140 18887 28 1 . 1 1 6 6 ILE CA C 6 60.480 60.480 58.124 2.356 18887 29 1 . 1 1 6 6 ILE CB C 6 42.120 42.120 39.370 2.750 18887 30 1 . 1 1 6 6 ILE H H 6 8.110 8.110 8.305 -0.195 18887 31 1 . 1 1 7 7 ALA N N 7 122.330 122.330 128.761 -6.431 18887 32 1 . 1 1 7 7 ALA HA H 7 5.780 5.780 5.087 0.693 18887 33 1 . 1 1 7 7 ALA C C 7 173.950 173.950 175.271 -1.321 18887 34 1 . 1 1 7 7 ALA CA C 7 51.280 51.280 50.273 1.006 18887 35 1 . 1 1 7 7 ALA CB C 7 25.930 25.930 22.707 3.223 18887 36 1 . 1 1 7 7 ALA H H 7 8.790 8.790 8.934 -0.144 18887 37 1 . 1 1 8 8 VAL N N 8 119.860 119.860 124.223 -4.363 18887 38 1 . 1 1 8 8 VAL HA H 8 5.190 5.190 4.638 0.552 18887 39 1 . 1 1 8 8 VAL C C 8 175.590 175.590 175.265 0.325 18887 40 1 . 1 1 8 8 VAL CA C 8 61.340 61.340 60.799 0.541 18887 41 1 . 1 1 8 8 VAL CB C 8 36.650 36.650 33.940 2.710 18887 42 1 . 1 1 8 8 VAL H H 8 8.950 8.950 8.515 0.435 18887 43 1 . 1 1 9 9 THR N N 9 116.320 116.320 119.003 -2.683 18887 44 1 . 1 1 9 9 THR HA H 9 5.500 5.500 5.380 0.120 18887 45 1 . 1 1 9 9 THR C C 9 172.920 172.920 173.342 -0.422 18887 46 1 . 1 1 9 9 THR CA C 9 59.470 59.470 59.483 -0.013 18887 47 1 . 1 1 9 9 THR CB C 9 71.510 71.510 70.023 1.487 18887 48 1 . 1 1 9 9 THR H H 9 8.860 8.860 9.085 -0.225 18887 49 1 . 1 1 10 10 ALA N N 10 121.780 121.780 128.938 -7.158 18887 50 1 . 1 1 10 10 ALA HA H 10 4.800 4.800 5.322 -0.522 18887 51 1 . 1 1 10 10 ALA C C 10 174.680 174.680 175.399 -0.719 18887 52 1 . 1 1 10 10 ALA CA C 10 54.300 54.300 51.028 3.272 18887 53 1 . 1 1 10 10 ALA CB C 10 22.940 22.940 22.243 0.697 18887 54 1 . 1 1 10 10 ALA H H 10 7.710 7.710 8.744 -1.034 18887 55 1 . 1 1 11 11 CYS N N 11 121.780 121.780 120.743 1.037 18887 56 1 . 1 1 11 11 CYS HA H 11 5.160 5.160 4.728 0.432 18887 57 1 . 1 1 11 11 CYS C C 11 174.700 174.700 173.754 0.946 18887 58 1 . 1 1 11 11 CYS CA C 11 57.150 57.150 58.003 -0.853 18887 59 1 . 1 1 11 11 CYS CB C 11 30.830 30.830 30.932 -0.102 18887 60 1 . 1 1 11 11 CYS H H 11 8.140 8.140 8.363 -0.223 18887 61 1 . 1 1 12 12 ALA N N 12 113.900 113.900 128.434 -14.534 18887 62 1 . 1 1 12 12 ALA HA H 12 4.220 4.220 4.443 -0.223 18887 63 1 . 1 1 12 12 ALA C C 12 168.950 168.950 177.860 -8.910 18887 64 1 . 1 1 12 12 ALA CA C 12 55.270 55.270 53.568 1.702 18887 65 1 . 1 1 12 12 ALA CB C 12 20.320 20.320 19.217 1.103 18887 66 1 . 1 1 12 12 ALA H H 12 10.630 10.630 8.798 1.832 18887 67 1 . 1 1 13 13 THR N N 13 109.490 109.490 113.511 -4.021 18887 68 1 . 1 1 13 13 THR HA H 13 4.390 4.390 4.266 0.124 18887 69 1 . 1 1 13 13 THR C C 13 174.870 174.870 175.622 -0.752 18887 70 1 . 1 1 13 13 THR CA C 13 62.910 62.910 63.537 -0.627 18887 71 1 . 1 1 13 13 THR CB C 13 70.640 70.640 69.206 1.434 18887 72 1 . 1 1 13 13 THR H H 13 8.180 8.180 7.998 0.182 18887 73 1 . 1 1 14 14 GLY N N 14 111.450 111.450 111.916 -0.466 18887 74 1 . 1 1 14 14 GLY C C 14 173.680 173.680 174.708 -1.028 18887 75 1 . 1 1 14 14 GLY CA C 14 47.050 47.050 44.534 2.516 18887 76 1 . 1 1 14 14 GLY H H 14 7.880 7.880 8.008 -0.128 18887 77 1 . 1 1 15 15 VAL N N 15 119.530 119.530 122.946 -3.416 18887 78 1 . 1 1 15 15 VAL HA H 15 4.110 4.110 3.774 0.336 18887 79 1 . 1 1 15 15 VAL C C 15 176.860 176.860 177.372 -0.512 18887 80 1 . 1 1 15 15 VAL CA C 15 64.740 64.740 65.014 -0.274 18887 81 1 . 1 1 15 15 VAL CB C 15 33.690 33.690 31.639 2.051 18887 82 1 . 1 1 15 15 VAL H H 15 8.250 8.250 8.312 -0.062 18887 83 1 . 1 1 16 16 ALA N N 16 123.230 123.230 121.743 1.487 18887 84 1 . 1 1 16 16 ALA HA H 16 4.230 4.230 4.166 0.064 18887 85 1 . 1 1 16 16 ALA C C 16 170.610 170.610 179.451 -8.841 18887 86 1 . 1 1 16 16 ALA CA C 16 56.280 56.280 54.792 1.488 18887 87 1 . 1 1 16 16 ALA CB C 16 19.320 19.320 18.183 1.137 18887 88 1 . 1 1 16 16 ALA H H 16 8.430 8.430 8.354 0.076 18887 89 1 . 1 1 17 17 HIS HA H 17 4.380 4.380 4.325 0.055 18887 90 1 . 1 1 17 17 HIS C C 17 177.260 177.260 177.757 -0.497 18887 91 1 . 1 1 17 17 HIS CA C 17 60.060 60.060 59.088 0.972 18887 92 1 . 1 1 17 17 HIS CB C 17 31.990 31.990 29.848 2.142 18887 93 1 . 1 1 18 18 THR N N 18 115.830 115.830 117.107 -1.277 18887 94 1 . 1 1 18 18 THR HA H 18 3.540 3.540 3.984 -0.444 18887 95 1 . 1 1 18 18 THR C C 18 176.690 176.690 176.205 0.485 18887 96 1 . 1 1 18 18 THR CA C 18 67.700 67.700 67.304 0.396 18887 97 1 . 1 1 18 18 THR CB C 18 69.550 69.550 68.693 0.857 18887 98 1 . 1 1 18 18 THR H H 18 7.590 7.590 7.824 -0.234 18887 99 1 . 1 1 19 19 TYR N N 19 121.050 121.050 120.363 0.687 18887 100 1 . 1 1 19 19 TYR HA H 19 4.340 4.340 4.375 -0.035 18887 101 1 . 1 1 19 19 TYR C C 19 178.420 178.420 177.804 0.616 18887 102 1 . 1 1 19 19 TYR CA C 19 61.220 61.220 61.111 0.109 18887 103 1 . 1 1 19 19 TYR CB C 19 38.400 38.400 37.865 0.535 18887 104 1 . 1 1 19 19 TYR H H 19 7.710 7.710 7.767 -0.057 18887 105 1 . 1 1 20 20 MET N N 20 120.220 120.220 119.963 0.257 18887 106 1 . 1 1 20 20 MET HA H 20 4.160 4.160 4.142 0.018 18887 107 1 . 1 1 20 20 MET C C 20 169.550 169.550 177.955 -8.405 18887 108 1 . 1 1 20 20 MET CA C 20 60.050 60.050 57.773 2.277 18887 109 1 . 1 1 20 20 MET CB C 20 34.410 34.410 32.435 1.975 18887 110 1 . 1 1 20 20 MET H H 20 8.470 8.470 8.174 0.296 18887 111 1 . 1 1 21 21 ALA N N 21 122.280 122.280 121.504 0.776 18887 112 1 . 1 1 21 21 ALA HA H 21 3.870 3.870 3.958 -0.088 18887 113 1 . 1 1 21 21 ALA C C 21 178.630 178.630 179.055 -0.425 18887 114 1 . 1 1 21 21 ALA CA C 21 56.760 56.760 55.293 1.467 18887 115 1 . 1 1 21 21 ALA CB C 21 19.690 19.690 18.092 1.598 18887 116 1 . 1 1 21 21 ALA H H 21 8.490 8.490 8.343 0.147 18887 117 1 . 1 1 22 22 ALA N N 22 120.240 120.240 120.871 -0.631 18887 118 1 . 1 1 22 22 ALA HA H 22 3.900 3.900 3.906 -0.006 18887 119 1 . 1 1 22 22 ALA C C 22 169.200 169.200 179.873 -10.673 18887 120 1 . 1 1 22 22 ALA CA C 22 56.880 56.880 55.127 1.753 18887 121 1 . 1 1 22 22 ALA CB C 22 19.560 19.560 18.291 1.269 18887 122 1 . 1 1 22 22 ALA H H 22 7.660 7.660 7.830 -0.170 18887 123 1 . 1 1 23 23 GLN N N 23 116.680 116.680 118.233 -1.553 18887 124 1 . 1 1 23 23 GLN HA H 23 3.940 3.940 4.040 -0.100 18887 125 1 . 1 1 23 23 GLN C C 23 178.500 178.500 178.440 0.060 18887 126 1 . 1 1 23 23 GLN CA C 23 59.550 59.550 58.451 1.099 18887 127 1 . 1 1 23 23 GLN CB C 23 29.660 29.660 28.664 0.996 18887 128 1 . 1 1 23 23 GLN H H 23 8.430 8.430 8.023 0.407 18887 129 1 . 1 1 24 24 ALA N N 24 121.760 121.760 123.274 -1.514 18887 130 1 . 1 1 24 24 ALA HA H 24 4.140 4.140 4.047 0.093 18887 131 1 . 1 1 24 24 ALA C C 24 171.490 171.490 179.436 -7.946 18887 132 1 . 1 1 24 24 ALA CA C 24 56.060 56.060 55.148 0.912 18887 133 1 . 1 1 24 24 ALA CB C 24 19.760 19.760 18.543 1.217 18887 134 1 . 1 1 24 24 ALA H H 24 8.130 8.130 8.373 -0.243 18887 135 1 . 1 1 25 25 LEU N N 25 118.730 118.730 119.885 -1.155 18887 136 1 . 1 1 25 25 LEU HA H 25 3.850 3.850 3.958 -0.108 18887 137 1 . 1 1 25 25 LEU C C 25 177.990 177.990 178.723 -0.733 18887 138 1 . 1 1 25 25 LEU CA C 25 59.280 59.280 57.835 1.445 18887 139 1 . 1 1 25 25 LEU CB C 25 43.190 43.190 41.646 1.543 18887 140 1 . 1 1 25 25 LEU H H 25 8.030 8.030 8.464 -0.434 18887 141 1 . 1 1 26 26 LYS N N 26 118.850 118.850 119.011 -0.161 18887 142 1 . 1 1 26 26 LYS HA H 26 3.840 3.840 3.894 -0.054 18887 143 1 . 1 1 26 26 LYS C C 26 169.460 169.460 178.765 -9.305 18887 144 1 . 1 1 26 26 LYS CA C 26 61.420 61.420 59.716 1.704 18887 145 1 . 1 1 26 26 LYS CB C 26 33.440 33.440 32.133 1.307 18887 146 1 . 1 1 26 26 LYS H H 26 8.000 8.000 7.964 0.037 18887 147 1 . 1 1 27 27 LYS N N 27 120.350 120.350 119.190 1.160 18887 148 1 . 1 1 27 27 LYS HA H 27 3.990 3.990 4.048 -0.058 18887 149 1 . 1 1 27 27 LYS C C 27 169.670 169.670 179.112 -9.442 18887 150 1 . 1 1 27 27 LYS CA C 27 60.700 60.700 59.147 1.553 18887 151 1 . 1 1 27 27 LYS CB C 27 33.620 33.620 32.124 1.496 18887 152 1 . 1 1 27 27 LYS H H 27 8.350 8.350 7.976 0.374 18887 153 1 . 1 1 28 28 GLY N N 28 125.170 125.170 106.385 18.785 18887 154 1 . 1 1 28 28 GLY C C 28 174.520 174.520 175.787 -1.267 18887 155 1 . 1 1 28 28 GLY CA C 28 47.870 47.870 46.900 0.970 18887 156 1 . 1 1 28 28 GLY H H 28 8.410 8.410 8.177 0.233 18887 157 1 . 1 1 29 29 ALA N N 29 122.370 122.370 124.589 -2.219 18887 158 1 . 1 1 29 29 ALA HA H 29 3.820 3.820 4.046 -0.227 18887 159 1 . 1 1 29 29 ALA C C 29 169.050 169.050 179.328 -10.278 18887 160 1 . 1 1 29 29 ALA CA C 29 56.840 56.840 54.936 1.904 18887 161 1 . 1 1 29 29 ALA CB C 29 18.800 18.800 18.355 0.445 18887 162 1 . 1 1 29 29 ALA H H 29 8.280 8.280 8.050 0.229 18887 163 1 . 1 1 30 30 LYS N N 30 117.490 117.490 118.359 -0.869 18887 164 1 . 1 1 30 30 LYS HA H 30 4.130 4.130 4.097 0.033 18887 165 1 . 1 1 30 30 LYS C C 30 170.330 170.330 178.846 -8.516 18887 166 1 . 1 1 30 30 LYS CA C 30 60.420 60.420 58.603 1.817 18887 167 1 . 1 1 30 30 LYS CB C 30 33.230 33.230 32.280 0.950 18887 168 1 . 1 1 30 30 LYS H H 30 7.720 7.720 8.111 -0.391 18887 169 1 . 1 1 31 31 LYS N N 31 121.050 121.050 119.716 1.334 18887 170 1 . 1 1 31 31 LYS HA H 31 4.020 4.020 4.090 -0.070 18887 171 1 . 1 1 31 31 LYS C C 31 178.160 178.160 178.339 -0.179 18887 172 1 . 1 1 31 31 LYS CA C 31 60.360 60.360 58.779 1.581 18887 173 1 . 1 1 31 31 LYS CB C 31 33.380 33.380 32.402 0.978 18887 174 1 . 1 1 31 31 LYS H H 31 7.930 7.930 7.755 0.175 18887 175 1 . 1 1 32 32 MET N N 32 114.620 114.620 115.053 -0.433 18887 176 1 . 1 1 32 32 MET HA H 32 4.240 4.240 4.503 -0.263 18887 177 1 . 1 1 32 32 MET C C 32 175.810 175.810 176.738 -0.928 18887 178 1 . 1 1 32 32 MET CA C 32 57.400 57.400 55.107 2.292 18887 179 1 . 1 1 32 32 MET CB C 32 37.710 37.710 33.120 4.589 18887 180 1 . 1 1 32 32 MET H H 32 7.420 7.420 7.730 -0.310 18887 181 1 . 1 1 33 33 GLY N N 33 124.900 124.900 108.255 16.645 18887 182 1 . 1 1 33 33 GLY C C 33 174.340 174.340 173.526 0.814 18887 183 1 . 1 1 33 33 GLY CA C 33 46.830 46.830 45.233 1.597 18887 184 1 . 1 1 33 33 GLY H H 33 7.860 7.860 8.027 -0.167 18887 185 1 . 1 1 34 34 ASN N N 34 116.070 116.070 117.656 -1.586 18887 186 1 . 1 1 34 34 ASN HA H 34 5.210 5.210 5.237 -0.027 18887 187 1 . 1 1 34 34 ASN C C 34 173.080 173.080 174.169 -1.089 18887 188 1 . 1 1 34 34 ASN CA C 34 52.770 52.770 52.206 0.564 18887 189 1 . 1 1 34 34 ASN CB C 34 42.880 42.880 41.533 1.347 18887 190 1 . 1 1 34 34 ASN H H 34 8.160 8.160 8.105 0.055 18887 191 1 . 1 1 35 35 LEU N N 35 121.450 121.450 121.334 0.116 18887 192 1 . 1 1 35 35 LEU HA H 35 4.620 4.620 4.723 -0.103 18887 193 1 . 1 1 35 35 LEU C C 35 174.930 174.930 175.151 -0.221 18887 194 1 . 1 1 35 35 LEU CA C 35 55.150 55.150 53.861 1.289 18887 195 1 . 1 1 35 35 LEU CB C 35 44.760 44.760 43.152 1.608 18887 196 1 . 1 1 35 35 LEU H H 35 8.770 8.770 8.509 0.261 18887 197 1 . 1 1 36 36 ILE N N 36 119.690 119.690 124.036 -4.346 18887 198 1 . 1 1 36 36 ILE HA H 36 5.660 5.660 5.096 0.564 18887 199 1 . 1 1 36 36 ILE C C 36 172.620 172.620 174.893 -2.273 18887 200 1 . 1 1 36 36 ILE CA C 36 59.410 59.410 59.138 0.272 18887 201 1 . 1 1 36 36 ILE CB C 36 44.340 44.340 41.268 3.071 18887 202 1 . 1 1 36 36 ILE H H 36 8.390 8.390 8.552 -0.162 18887 203 1 . 1 1 37 37 LYS N N 37 126.230 126.230 129.269 -3.039 18887 204 1 . 1 1 37 37 LYS HA H 37 4.590 4.590 4.690 -0.100 18887 205 1 . 1 1 37 37 LYS C C 37 174.340 174.340 174.579 -0.239 18887 206 1 . 1 1 37 37 LYS CA C 37 57.050 57.050 54.119 2.931 18887 207 1 . 1 1 37 37 LYS CB C 37 36.860 36.860 33.080 3.780 18887 208 1 . 1 1 37 37 LYS H H 37 7.210 7.210 8.876 -1.666 18887 209 1 . 1 1 38 38 VAL N N 38 124.270 124.270 125.123 -0.853 18887 210 1 . 1 1 38 38 VAL HA H 38 4.920 4.920 4.961 -0.041 18887 211 1 . 1 1 38 38 VAL C C 38 174.660 174.660 175.685 -1.025 18887 212 1 . 1 1 38 38 VAL CA C 38 61.420 61.420 60.392 1.028 18887 213 1 . 1 1 38 38 VAL CB C 38 35.020 35.020 32.912 2.108 18887 214 1 . 1 1 38 38 VAL H H 38 8.760 8.760 8.629 0.131 18887 215 1 . 1 1 39 39 GLU N N 39 114.800 114.800 128.329 -13.528 18887 216 1 . 1 1 39 39 GLU HA H 39 5.020 5.020 4.728 0.292 18887 217 1 . 1 1 39 39 GLU C C 39 175.680 175.680 175.457 0.223 18887 218 1 . 1 1 39 39 GLU CA C 39 55.680 55.680 54.674 1.006 18887 219 1 . 1 1 39 39 GLU CB C 39 33.940 33.940 32.721 1.219 18887 220 1 . 1 1 39 39 GLU H H 39 9.210 9.210 9.132 0.078 18887 221 1 . 1 1 40 40 THR N N 40 115.120 115.120 121.393 -6.273 18887 222 1 . 1 1 40 40 THR HA H 40 5.180 5.180 4.883 0.297 18887 223 1 . 1 1 40 40 THR C C 40 174.200 174.200 173.326 0.874 18887 224 1 . 1 1 40 40 THR CA C 40 59.710 59.710 61.647 -1.937 18887 225 1 . 1 1 40 40 THR CB C 40 71.270 71.270 69.404 1.866 18887 226 1 . 1 1 40 40 THR H H 40 8.500 8.500 8.637 -0.137 18887 227 1 . 1 1 41 41 GLN N N 41 119.850 119.850 127.884 -8.034 18887 228 1 . 1 1 41 41 GLN HA H 41 4.990 4.990 5.003 -0.013 18887 229 1 . 1 1 41 41 GLN C C 41 175.110 175.110 175.681 -0.571 18887 230 1 . 1 1 41 41 GLN CA C 41 54.980 54.980 54.038 0.942 18887 231 1 . 1 1 41 41 GLN CB C 41 29.780 29.780 31.338 -1.558 18887 232 1 . 1 1 41 41 GLN H H 41 8.470 8.470 8.821 -0.351 18887 233 1 . 1 1 42 42 GLY N N 42 109.530 109.530 112.417 -2.886 18887 234 1 . 1 1 42 42 GLY C C 42 174.750 174.750 173.457 1.293 18887 235 1 . 1 1 42 42 GLY CA C 42 45.630 45.630 45.466 0.164 18887 236 1 . 1 1 42 42 GLY H H 42 7.890 7.890 8.641 -0.751 18887 237 1 . 1 1 43 43 ALA N N 43 123.850 123.850 123.383 0.467 18887 238 1 . 1 1 43 43 ALA HA H 43 4.170 4.170 4.444 -0.274 18887 239 1 . 1 1 43 43 ALA C C 43 169.490 169.490 177.074 -7.584 18887 240 1 . 1 1 43 43 ALA CA C 43 56.170 56.170 52.737 3.433 18887 241 1 . 1 1 43 43 ALA CB C 43 19.910 19.910 18.323 1.587 18887 242 1 . 1 1 43 43 ALA H H 43 8.730 8.730 8.077 0.653 18887 243 1 . 1 1 44 44 THR N N 44 122.380 122.380 113.375 9.005 18887 244 1 . 1 1 44 44 THR HA H 44 4.390 4.390 4.149 0.241 18887 245 1 . 1 1 44 44 THR C C 44 174.260 174.260 174.462 -0.202 18887 246 1 . 1 1 44 44 THR CA C 44 62.190 62.190 63.366 -1.176 18887 247 1 . 1 1 44 44 THR CB C 44 70.080 70.080 68.851 1.229 18887 248 1 . 1 1 44 44 THR H H 44 7.950 7.950 8.344 -0.394 18887 249 1 . 1 1 45 45 GLY N N 45 109.360 109.360 109.666 -0.306 18887 250 1 . 1 1 45 45 GLY C C 45 172.380 172.380 172.552 -0.172 18887 251 1 . 1 1 45 45 GLY CA C 45 45.510 45.510 44.308 1.202 18887 252 1 . 1 1 45 45 GLY H H 45 7.560 7.560 7.795 -0.235 18887 253 1 . 1 1 46 46 ILE N N 46 122.050 122.050 123.381 -1.331 18887 254 1 . 1 1 46 46 ILE HA H 46 4.780 4.780 4.540 0.240 18887 255 1 . 1 1 46 46 ILE C C 46 176.010 176.010 175.786 0.224 18887 256 1 . 1 1 46 46 ILE CA C 46 61.950 61.950 60.318 1.632 18887 257 1 . 1 1 46 46 ILE CB C 46 40.810 40.810 39.266 1.544 18887 258 1 . 1 1 46 46 ILE H H 46 8.480 8.480 8.412 0.068 18887 259 1 . 1 1 47 47 GLU N N 47 109.160 109.160 127.734 -18.574 18887 260 1 . 1 1 47 47 GLU HA H 47 4.660 4.660 4.333 0.327 18887 261 1 . 1 1 47 47 GLU C C 47 174.750 174.750 176.742 -1.992 18887 262 1 . 1 1 47 47 GLU CA C 47 55.940 55.940 57.384 -1.444 18887 263 1 . 1 1 47 47 GLU CB C 47 33.640 33.640 30.808 2.832 18887 264 1 . 1 1 47 47 GLU H H 47 9.000 9.000 8.950 0.050 18887 265 1 . 1 1 48 48 ASN N N 48 120.510 120.510 118.728 1.782 18887 266 1 . 1 1 48 48 ASN HA H 48 4.230 4.230 4.694 -0.464 18887 267 1 . 1 1 48 48 ASN C C 48 173.090 173.090 173.982 -0.892 18887 268 1 . 1 1 48 48 ASN CA C 48 54.770 54.770 53.304 1.466 18887 269 1 . 1 1 48 48 ASN CB C 48 38.800 38.800 39.105 -0.305 18887 270 1 . 1 1 48 48 ASN H H 48 8.930 8.930 8.136 0.794 18887 271 1 . 1 1 49 49 GLU N N 49 114.160 114.160 120.763 -6.602 18887 272 1 . 1 1 49 49 GLU HA H 49 3.890 3.890 4.270 -0.380 18887 273 1 . 1 1 49 49 GLU C C 49 177.780 177.780 175.661 2.119 18887 274 1 . 1 1 49 49 GLU CA C 49 57.870 57.870 56.800 1.070 18887 275 1 . 1 1 49 49 GLU CB C 49 31.900 31.900 29.376 2.524 18887 276 1 . 1 1 49 49 GLU H H 49 7.690 7.690 8.269 -0.579 18887 277 1 . 1 1 50 50 LEU N N 50 109.440 109.440 128.122 -18.682 18887 278 1 . 1 1 50 50 LEU HA H 50 4.680 4.680 4.436 0.244 18887 279 1 . 1 1 50 50 LEU C C 50 177.490 177.490 177.107 0.383 18887 280 1 . 1 1 50 50 LEU CA C 50 55.520 55.520 54.610 0.910 18887 281 1 . 1 1 50 50 LEU CB C 50 43.440 43.440 42.051 1.389 18887 282 1 . 1 1 50 50 LEU H H 50 9.560 9.560 9.231 0.329 18887 283 1 . 1 1 51 51 THR N N 51 117.490 117.490 116.014 1.476 18887 284 1 . 1 1 51 51 THR HA H 51 4.420 4.420 4.374 0.046 18887 285 1 . 1 1 51 51 THR C C 51 175.010 175.010 175.534 -0.524 18887 286 1 . 1 1 51 51 THR CA C 51 61.230 61.230 60.670 0.560 18887 287 1 . 1 1 51 51 THR CB C 51 72.860 72.860 70.555 2.305 18887 288 1 . 1 1 51 51 THR H H 51 9.380 9.380 8.543 0.837 18887 289 1 . 1 1 52 52 GLU N N 52 120.490 120.490 122.461 -1.971 18887 290 1 . 1 1 52 52 GLU HA H 52 3.860 3.860 3.887 -0.027 18887 291 1 . 1 1 52 52 GLU C C 52 178.660 178.660 178.552 0.108 18887 292 1 . 1 1 52 52 GLU CA C 52 61.130 61.130 60.451 0.679 18887 293 1 . 1 1 52 52 GLU CB C 52 30.280 30.280 29.204 1.076 18887 294 1 . 1 1 52 52 GLU H H 52 8.910 8.910 8.916 -0.006 18887 295 1 . 1 1 53 53 LYS N N 53 118.660 118.660 118.130 0.530 18887 296 1 . 1 1 53 53 LYS HA H 53 4.020 4.020 4.022 -0.002 18887 297 1 . 1 1 53 53 LYS C C 53 178.190 178.190 178.742 -0.552 18887 298 1 . 1 1 53 53 LYS CA C 53 60.390 60.390 59.225 1.165 18887 299 1 . 1 1 53 53 LYS CB C 53 33.210 33.210 31.957 1.253 18887 300 1 . 1 1 53 53 LYS H H 53 7.890 7.890 8.206 -0.316 18887 301 1 . 1 1 54 54 ASP N N 54 118.400 118.400 120.042 -1.642 18887 302 1 . 1 1 54 54 ASP HA H 54 4.200 4.200 4.418 -0.218 18887 303 1 . 1 1 54 54 ASP C C 54 169.070 169.070 178.744 -9.674 18887 304 1 . 1 1 54 54 ASP CA C 54 58.300 58.300 57.483 0.817 18887 305 1 . 1 1 54 54 ASP CB C 54 43.110 43.110 40.744 2.366 18887 306 1 . 1 1 54 54 ASP H H 54 7.440 7.440 7.680 -0.240 18887 307 1 . 1 1 55 55 VAL N N 55 118.420 118.420 119.637 -1.217 18887 308 1 . 1 1 55 55 VAL HA H 55 3.520 3.520 3.758 -0.238 18887 309 1 . 1 1 55 55 VAL C C 55 176.980 176.980 177.273 -0.293 18887 310 1 . 1 1 55 55 VAL CA C 55 66.950 66.950 66.329 0.621 18887 311 1 . 1 1 55 55 VAL CB C 55 32.360 32.360 31.425 0.935 18887 312 1 . 1 1 55 55 VAL H H 55 8.150 8.150 8.191 -0.041 18887 313 1 . 1 1 56 56 ASN N N 56 117.100 117.100 115.715 1.385 18887 314 1 . 1 1 56 56 ASN HA H 56 4.410 4.410 4.576 -0.166 18887 315 1 . 1 1 56 56 ASN C C 56 177.330 177.330 176.928 0.402 18887 316 1 . 1 1 56 56 ASN CA C 56 57.170 57.170 55.244 1.926 18887 317 1 . 1 1 56 56 ASN CB C 56 39.930 39.930 39.007 0.923 18887 318 1 . 1 1 56 56 ASN H H 56 8.000 8.000 7.889 0.111 18887 319 1 . 1 1 57 57 ILE N N 57 115.580 115.580 118.604 -3.024 18887 320 1 . 1 1 57 57 ILE HA H 57 3.950 3.950 4.043 -0.093 18887 321 1 . 1 1 57 57 ILE C C 57 176.980 176.980 176.836 0.144 18887 322 1 . 1 1 57 57 ILE CA C 57 63.240 63.240 62.546 0.694 18887 323 1 . 1 1 57 57 ILE CB C 57 39.890 39.890 38.277 1.613 18887 324 1 . 1 1 57 57 ILE H H 57 7.600 7.600 7.558 0.042 18887 325 1 . 1 1 58 58 GLY N N 58 124.080 124.080 106.719 17.361 18887 326 1 . 1 1 58 58 GLY C C 58 173.190 173.190 174.261 -1.071 18887 327 1 . 1 1 58 58 GLY CA C 58 47.110 47.110 44.940 2.170 18887 328 1 . 1 1 58 58 GLY H H 58 7.630 7.630 7.924 -0.294 18887 329 1 . 1 1 59 59 GLU N N 59 123.240 123.240 124.570 -1.330 18887 330 1 . 1 1 59 59 GLU HA H 59 4.240 4.240 4.316 -0.076 18887 331 1 . 1 1 59 59 GLU C C 59 176.750 176.750 176.742 0.008 18887 332 1 . 1 1 59 59 GLU CA C 59 59.830 59.830 58.291 1.539 18887 333 1 . 1 1 59 59 GLU CB C 59 33.100 33.100 30.727 2.373 18887 334 1 . 1 1 59 59 GLU H H 59 9.350 9.350 8.735 0.615 18887 335 1 . 1 1 60 60 VAL N N 60 114.370 114.370 114.104 0.266 18887 336 1 . 1 1 60 60 VAL HA H 60 4.410 4.410 4.643 -0.233 18887 337 1 . 1 1 60 60 VAL C C 60 170.270 170.270 174.520 -4.250 18887 338 1 . 1 1 60 60 VAL CA C 60 60.710 60.710 60.602 0.108 18887 339 1 . 1 1 60 60 VAL CB C 60 35.150 35.150 33.584 1.566 18887 340 1 . 1 1 60 60 VAL H H 60 7.640 7.640 7.381 0.259 18887 341 1 . 1 1 61 61 VAL N N 61 125.780 125.780 123.846 1.934 18887 342 1 . 1 1 61 61 VAL HA H 61 4.970 4.970 4.901 0.069 18887 343 1 . 1 1 61 61 VAL C C 61 174.450 174.450 175.136 -0.686 18887 344 1 . 1 1 61 61 VAL CA C 61 60.260 60.260 60.122 0.138 18887 345 1 . 1 1 61 61 VAL CB C 61 34.710 34.710 33.128 1.582 18887 346 1 . 1 1 61 61 VAL H H 61 8.290 8.290 8.758 -0.468 18887 347 1 . 1 1 62 62 ILE N N 62 124.740 124.740 126.852 -2.112 18887 348 1 . 1 1 62 62 ILE HA H 62 4.820 4.820 4.599 0.221 18887 349 1 . 1 1 62 62 ILE C C 62 175.020 175.020 174.476 0.544 18887 350 1 . 1 1 62 62 ILE CA C 62 60.490 60.490 59.998 0.492 18887 351 1 . 1 1 62 62 ILE CB C 62 42.560 42.560 39.639 2.921 18887 352 1 . 1 1 62 62 ILE H H 62 8.580 8.580 8.559 0.021 18887 353 1 . 1 1 63 63 PHE N N 63 109.510 109.510 127.244 -17.734 18887 354 1 . 1 1 63 63 PHE HA H 63 5.490 5.490 5.049 0.441 18887 355 1 . 1 1 63 63 PHE C C 63 173.600 173.600 174.238 -0.638 18887 356 1 . 1 1 63 63 PHE CA C 63 53.020 53.020 55.647 -2.627 18887 357 1 . 1 1 63 63 PHE CB C 63 40.150 40.150 40.771 -0.621 18887 358 1 . 1 1 63 63 PHE H H 63 9.320 9.320 9.098 0.222 18887 359 1 . 1 1 64 64 ALA N N 64 112.790 112.790 128.970 -16.180 18887 360 1 . 1 1 64 64 ALA HA H 64 5.430 5.430 5.525 -0.095 18887 361 1 . 1 1 64 64 ALA C C 64 175.040 175.040 175.835 -0.795 18887 362 1 . 1 1 64 64 ALA CA C 64 50.740 50.740 50.168 0.572 18887 363 1 . 1 1 64 64 ALA CB C 64 19.690 19.690 19.564 0.126 18887 364 1 . 1 1 64 64 ALA H H 64 8.840 8.840 8.745 0.095 18887 365 1 . 1 1 65 65 VAL N N 65 110.260 110.260 118.207 -7.947 18887 366 1 . 1 1 65 65 VAL HA H 65 5.690 5.690 5.071 0.619 18887 367 1 . 1 1 65 65 VAL C C 65 175.380 175.380 174.256 1.124 18887 368 1 . 1 1 65 65 VAL CA C 65 59.060 59.060 59.881 -0.821 18887 369 1 . 1 1 65 65 VAL CB C 65 38.800 38.800 35.363 3.437 18887 370 1 . 1 1 65 65 VAL H H 65 8.080 8.080 7.688 0.392 18887 371 1 . 1 1 66 66 ASP N N 66 119.250 119.250 122.131 -2.881 18887 372 1 . 1 1 66 66 ASP HA H 66 4.870 4.870 4.845 0.025 18887 373 1 . 1 1 66 66 ASP C C 66 175.600 175.600 175.906 -0.306 18887 374 1 . 1 1 66 66 ASP CA C 66 53.780 53.780 54.754 -0.974 18887 375 1 . 1 1 66 66 ASP CB C 66 42.910 42.910 42.864 0.046 18887 376 1 . 1 1 66 66 ASP H H 66 7.760 7.760 8.940 -1.180 18887 377 1 . 1 1 67 67 THR N N 67 112.330 112.330 113.675 -1.345 18887 378 1 . 1 1 67 67 THR HA H 67 4.510 4.510 4.493 0.017 18887 379 1 . 1 1 67 67 THR C C 67 172.370 172.370 173.125 -0.755 18887 380 1 . 1 1 67 67 THR CA C 67 59.650 59.650 60.439 -0.789 18887 381 1 . 1 1 67 67 THR CB C 67 70.230 70.230 70.447 -0.217 18887 382 1 . 1 1 67 67 THR H H 67 7.070 7.070 7.588 -0.518 18887 383 1 . 1 1 68 68 LYS N N 68 121.380 121.380 121.159 0.221 18887 384 1 . 1 1 68 68 LYS HA H 68 4.080 4.080 4.354 -0.274 18887 385 1 . 1 1 68 68 LYS C C 68 176.250 176.250 175.298 0.952 18887 386 1 . 1 1 68 68 LYS CA C 68 57.470 57.470 55.955 1.515 18887 387 1 . 1 1 68 68 LYS CB C 68 34.020 34.020 33.196 0.824 18887 388 1 . 1 1 68 68 LYS H H 68 7.540 7.540 8.252 -0.712 18887 389 1 . 1 1 69 69 VAL N N 69 125.310 125.310 118.014 7.296 18887 390 1 . 1 1 69 69 VAL HA H 69 3.320 3.320 4.477 -1.157 18887 391 1 . 1 1 69 69 VAL C C 69 175.890 175.890 175.744 0.146 18887 392 1 . 1 1 69 69 VAL CA C 69 64.110 64.110 60.523 3.587 18887 393 1 . 1 1 69 69 VAL CB C 69 33.810 33.810 34.299 -0.489 18887 394 1 . 1 1 69 69 VAL H H 69 8.320 8.320 8.097 0.223 18887 395 1 . 1 1 70 70 ARG N N 70 111.240 111.240 124.924 -13.684 18887 396 1 . 1 1 70 70 ARG HA H 70 4.160 4.160 4.277 -0.117 18887 397 1 . 1 1 70 70 ARG C C 70 177.030 177.030 177.678 -0.648 18887 398 1 . 1 1 70 70 ARG CA C 70 57.630 57.630 58.436 -0.805 18887 399 1 . 1 1 70 70 ARG CB C 70 31.440 31.440 30.672 0.768 18887 400 1 . 1 1 70 70 ARG H H 70 9.580 9.580 8.955 0.625 18887 401 1 . 1 1 71 71 ASN N N 71 120.660 120.660 117.817 2.843 18887 402 1 . 1 1 71 71 ASN HA H 71 4.670 4.670 4.632 0.038 18887 403 1 . 1 1 71 71 ASN C C 71 177.530 177.530 176.707 0.823 18887 404 1 . 1 1 71 71 ASN CA C 71 54.770 54.770 54.551 0.219 18887 405 1 . 1 1 71 71 ASN CB C 71 37.130 37.130 38.018 -0.888 18887 406 1 . 1 1 71 71 ASN H H 71 9.170 9.170 8.556 0.614 18887 407 1 . 1 1 72 72 LYS N N 72 120.730 120.730 121.280 -0.550 18887 408 1 . 1 1 72 72 LYS HA H 72 4.010 4.010 4.545 -0.535 18887 409 1 . 1 1 72 72 LYS C C 72 177.790 177.790 178.075 -0.285 18887 410 1 . 1 1 72 72 LYS CA C 72 59.910 59.910 59.349 0.561 18887 411 1 . 1 1 72 72 LYS CB C 72 33.260 33.260 32.086 1.174 18887 412 1 . 1 1 72 72 LYS H H 72 8.400 8.400 8.073 0.327 18887 413 1 . 1 1 73 73 GLU N N 73 122.670 122.670 118.190 4.480 18887 414 1 . 1 1 73 73 GLU HA H 73 4.160 4.160 3.993 0.167 18887 415 1 . 1 1 73 73 GLU C C 73 177.620 177.620 178.774 -1.154 18887 416 1 . 1 1 73 73 GLU CA C 73 60.380 60.380 59.086 1.294 18887 417 1 . 1 1 73 73 GLU CB C 73 28.660 28.660 29.223 -0.564 18887 418 1 . 1 1 73 73 GLU H H 73 9.960 9.960 7.859 2.101 18887 419 1 . 1 1 74 74 ARG N N 74 117.370 117.370 117.284 0.086 18887 420 1 . 1 1 74 74 ARG HA H 74 3.770 3.770 4.123 -0.353 18887 421 1 . 1 1 74 74 ARG C C 74 177.380 177.380 177.693 -0.313 18887 422 1 . 1 1 74 74 ARG CA C 74 59.010 59.010 57.903 1.107 18887 423 1 . 1 1 74 74 ARG CB C 74 32.720 32.720 29.999 2.721 18887 424 1 . 1 1 74 74 ARG H H 74 6.830 6.830 7.663 -0.833 18887 425 1 . 1 1 75 75 PHE N N 75 112.920 112.920 117.598 -4.678 18887 426 1 . 1 1 75 75 PHE HA H 75 4.280 4.280 4.587 -0.307 18887 427 1 . 1 1 75 75 PHE C C 75 174.870 174.870 176.499 -1.629 18887 428 1 . 1 1 75 75 PHE CA C 75 57.370 57.370 58.253 -0.883 18887 429 1 . 1 1 75 75 PHE CB C 75 39.380 39.380 38.464 0.916 18887 430 1 . 1 1 75 75 PHE H H 75 7.670 7.670 7.391 0.279 18887 431 1 . 1 1 76 76 ASP N N 76 121.780 121.780 121.069 0.711 18887 432 1 . 1 1 76 76 ASP HA H 76 4.380 4.380 4.536 -0.156 18887 433 1 . 1 1 76 76 ASP C C 76 177.380 177.380 177.431 -0.051 18887 434 1 . 1 1 76 76 ASP CA C 76 57.700 57.700 56.522 1.178 18887 435 1 . 1 1 76 76 ASP CB C 76 41.270 41.270 41.041 0.229 18887 436 1 . 1 1 76 76 ASP H H 76 7.210 7.210 7.809 -0.599 18887 437 1 . 1 1 77 77 GLY N N 77 111.910 111.910 108.469 3.441 18887 438 1 . 1 1 77 77 GLY C C 77 174.310 174.310 174.138 0.172 18887 439 1 . 1 1 77 77 GLY CA C 77 46.290 46.290 45.047 1.243 18887 440 1 . 1 1 77 77 GLY H H 77 8.920 8.920 8.390 0.530 18887 441 1 . 1 1 78 78 LYS N N 78 117.910 117.910 119.764 -1.854 18887 442 1 . 1 1 78 78 LYS HA H 78 4.540 4.540 4.752 -0.212 18887 443 1 . 1 1 78 78 LYS C C 78 175.910 175.910 175.512 0.398 18887 444 1 . 1 1 78 78 LYS CA C 78 53.410 53.410 54.748 -1.338 18887 445 1 . 1 1 78 78 LYS CB C 78 32.780 32.780 35.261 -2.481 18887 446 1 . 1 1 78 78 LYS H H 78 7.700 7.700 7.616 0.084 18887 447 1 . 1 1 79 79 VAL N N 79 124.500 124.500 121.793 2.707 18887 448 1 . 1 1 79 79 VAL HA H 79 3.850 3.850 4.253 -0.403 18887 449 1 . 1 1 79 79 VAL C C 79 174.140 174.140 174.428 -0.287 18887 450 1 . 1 1 79 79 VAL CA C 79 64.810 64.810 61.905 2.905 18887 451 1 . 1 1 79 79 VAL CB C 79 32.390 32.390 31.972 0.418 18887 452 1 . 1 1 79 79 VAL H H 79 8.890 8.890 8.593 0.297 18887 453 1 . 1 1 80 80 VAL N N 80 125.810 125.810 126.346 -0.536 18887 454 1 . 1 1 80 80 VAL HA H 80 4.690 4.690 4.899 -0.209 18887 455 1 . 1 1 80 80 VAL C C 80 175.270 175.270 174.670 0.600 18887 456 1 . 1 1 80 80 VAL CA C 80 60.670 60.670 60.006 0.664 18887 457 1 . 1 1 80 80 VAL CB C 80 35.970 35.970 34.341 1.629 18887 458 1 . 1 1 80 80 VAL H H 80 7.860 7.860 8.303 -0.443 18887 459 1 . 1 1 81 81 LEU N N 81 110.550 110.550 127.551 -17.001 18887 460 1 . 1 1 81 81 LEU HA H 81 4.490 4.490 4.784 -0.294 18887 461 1 . 1 1 81 81 LEU C C 81 173.930 173.930 174.894 -0.964 18887 462 1 . 1 1 81 81 LEU CA C 81 54.410 54.410 53.937 0.472 18887 463 1 . 1 1 81 81 LEU CB C 81 45.100 45.100 44.143 0.957 18887 464 1 . 1 1 81 81 LEU H H 81 8.790 8.790 9.116 -0.326 18887 465 1 . 1 1 82 82 GLU N N 82 111.070 111.070 127.791 -16.721 18887 466 1 . 1 1 82 82 GLU HA H 82 5.460 5.460 5.056 0.404 18887 467 1 . 1 1 82 82 GLU C C 82 175.440 175.440 175.407 0.033 18887 468 1 . 1 1 82 82 GLU CA C 82 56.010 56.010 55.468 0.542 18887 469 1 . 1 1 82 82 GLU CB C 82 32.100 32.100 31.228 0.872 18887 470 1 . 1 1 82 82 GLU H H 82 8.750 8.750 8.739 0.011 18887 471 1 . 1 1 83 83 VAL N N 83 119.980 119.980 120.495 -0.515 18887 472 1 . 1 1 83 83 VAL HA H 83 4.950 4.950 4.745 0.205 18887 473 1 . 1 1 83 83 VAL C C 83 172.120 172.120 173.324 -1.204 18887 474 1 . 1 1 83 83 VAL CA C 83 58.760 58.760 58.205 0.555 18887 475 1 . 1 1 83 83 VAL CB C 83 34.570 34.570 33.759 0.811 18887 476 1 . 1 1 83 83 VAL H H 83 9.390 9.390 8.964 0.426 18887 477 1 . 1 1 84 84 PRO HA H 84 4.740 4.740 4.553 0.187 18887 478 1 . 1 1 84 84 PRO C C 84 178.300 178.300 178.020 0.280 18887 479 1 . 1 1 84 84 PRO CA C 84 63.330 63.330 62.668 0.662 18887 480 1 . 1 1 84 84 PRO CB C 84 33.430 33.430 32.213 1.217 18887 481 1 . 1 1 85 85 VAL N N 85 122.390 122.390 122.246 0.144 18887 482 1 . 1 1 85 85 VAL HA H 85 3.320 3.320 3.765 -0.445 18887 483 1 . 1 1 85 85 VAL C C 85 174.190 174.190 176.531 -2.341 18887 484 1 . 1 1 85 85 VAL CA C 85 66.540 66.540 64.530 2.010 18887 485 1 . 1 1 85 85 VAL CB C 85 32.970 32.970 32.006 0.964 18887 486 1 . 1 1 85 85 VAL H H 85 7.240 7.240 8.496 -1.256 18887 487 1 . 1 1 86 86 SER N N 86 125.590 125.590 113.386 12.204 18887 488 1 . 1 1 86 86 SER HA H 86 4.020 4.020 4.215 -0.195 18887 489 1 . 1 1 86 86 SER C C 86 176.940 176.940 175.595 1.345 18887 490 1 . 1 1 86 86 SER CA C 86 60.200 60.200 60.535 -0.335 18887 491 1 . 1 1 86 86 SER CB C 86 64.060 64.060 62.963 1.097 18887 492 1 . 1 1 86 86 SER H H 86 7.600 7.600 8.100 -0.500 18887 493 1 . 1 1 87 87 ALA N N 87 125.200 125.200 124.685 0.515 18887 494 1 . 1 1 87 87 ALA HA H 87 4.280 4.280 4.287 -0.007 18887 495 1 . 1 1 87 87 ALA C C 87 177.370 177.370 176.068 1.302 18887 496 1 . 1 1 87 87 ALA CA C 87 57.600 57.600 56.131 1.469 18887 497 1 . 1 1 87 87 ALA CB C 87 16.620 16.620 16.630 -0.010 18887 498 1 . 1 1 87 87 ALA H H 87 7.870 7.870 7.769 0.101 18887 499 1 . 1 1 88 88 PRO HA H 88 4.000 4.000 4.340 -0.340 18887 500 1 . 1 1 88 88 PRO C C 88 175.090 175.090 177.093 -2.003 18887 501 1 . 1 1 88 88 PRO CA C 88 65.410 65.410 64.697 0.713 18887 502 1 . 1 1 88 88 PRO CB C 88 32.130 32.130 31.035 1.095 18887 503 1 . 1 1 89 89 ILE N N 89 114.700 114.700 117.146 -2.446 18887 504 1 . 1 1 89 89 ILE HA H 89 3.310 3.310 3.873 -0.563 18887 505 1 . 1 1 89 89 ILE C C 89 177.850 177.850 177.172 0.678 18887 506 1 . 1 1 89 89 ILE CA C 89 66.320 66.320 63.826 2.494 18887 507 1 . 1 1 89 89 ILE CB C 89 38.790 38.790 38.078 0.712 18887 508 1 . 1 1 89 89 ILE H H 89 6.300 6.300 7.338 -1.038 18887 509 1 . 1 1 90 90 LYS N N 90 118.530 118.530 117.805 0.725 18887 510 1 . 1 1 90 90 LYS HA H 90 4.060 4.060 4.352 -0.292 18887 511 1 . 1 1 90 90 LYS C C 90 177.390 177.390 177.538 -0.148 18887 512 1 . 1 1 90 90 LYS CA C 90 59.710 59.710 57.420 2.290 18887 513 1 . 1 1 90 90 LYS CB C 90 33.940 33.940 33.677 0.263 18887 514 1 . 1 1 90 90 LYS H H 90 7.440 7.440 7.658 -0.218 18887 515 1 . 1 1 91 91 ASP N N 91 114.670 114.670 120.474 -5.804 18887 516 1 . 1 1 91 91 ASP HA H 91 4.530 4.530 4.864 -0.334 18887 517 1 . 1 1 91 91 ASP C C 91 174.350 174.350 175.910 -1.560 18887 518 1 . 1 1 91 91 ASP CA C 91 55.120 55.120 53.632 1.488 18887 519 1 . 1 1 91 91 ASP CB C 91 41.530 41.530 40.900 0.630 18887 520 1 . 1 1 91 91 ASP H H 91 7.700 7.700 8.257 -0.557 18887 521 1 . 1 1 92 92 ALA N N 92 111.350 111.350 123.141 -11.791 18887 522 1 . 1 1 92 92 ALA HA H 92 3.830 3.830 3.940 -0.110 18887 523 1 . 1 1 92 92 ALA C C 92 169.330 169.330 179.069 -9.739 18887 524 1 . 1 1 92 92 ALA CA C 92 57.220 57.220 55.676 1.544 18887 525 1 . 1 1 92 92 ALA CB C 92 20.700 20.700 18.643 2.057 18887 526 1 . 1 1 92 92 ALA H H 92 8.860 8.860 7.991 0.869 18887 527 1 . 1 1 93 93 GLU N N 93 117.860 117.860 117.207 0.653 18887 528 1 . 1 1 93 93 GLU HA H 93 3.860 3.860 3.962 -0.102 18887 529 1 . 1 1 93 93 GLU C C 93 177.970 177.970 178.673 -0.703 18887 530 1 . 1 1 93 93 GLU CA C 93 61.240 61.240 59.563 1.677 18887 531 1 . 1 1 93 93 GLU CB C 93 30.570 30.570 28.981 1.589 18887 532 1 . 1 1 93 93 GLU H H 93 8.520 8.520 8.765 -0.245 18887 533 1 . 1 1 94 94 LYS N N 94 119.790 119.790 120.075 -0.285 18887 534 1 . 1 1 94 94 LYS HA H 94 3.930 3.930 4.109 -0.179 18887 535 1 . 1 1 94 94 LYS C C 94 169.840 169.840 178.830 -8.991 18887 536 1 . 1 1 94 94 LYS CA C 94 60.600 60.600 58.918 1.682 18887 537 1 . 1 1 94 94 LYS CB C 94 33.550 33.550 32.082 1.468 18887 538 1 . 1 1 94 94 LYS H H 94 7.670 7.670 7.477 0.193 18887 539 1 . 1 1 95 95 VAL N N 95 118.850 118.850 120.305 -1.455 18887 540 1 . 1 1 95 95 VAL HA H 95 3.590 3.590 3.649 -0.059 18887 541 1 . 1 1 95 95 VAL C C 95 176.620 176.620 177.987 -1.367 18887 542 1 . 1 1 95 95 VAL CA C 95 67.220 67.220 66.458 0.762 18887 543 1 . 1 1 95 95 VAL CB C 95 32.880 32.880 31.565 1.315 18887 544 1 . 1 1 95 95 VAL H H 95 7.150 7.150 8.200 -1.050 18887 545 1 . 1 1 96 96 ILE N N 96 119.120 119.120 120.264 -1.144 18887 546 1 . 1 1 96 96 ILE HA H 96 3.380 3.380 3.526 -0.146 18887 547 1 . 1 1 96 96 ILE C C 96 177.750 177.750 177.927 -0.177 18887 548 1 . 1 1 96 96 ILE CA C 96 67.190 67.190 65.671 1.519 18887 549 1 . 1 1 96 96 ILE CB C 96 38.440 38.440 37.405 1.035 18887 550 1 . 1 1 96 96 ILE H H 96 8.380 8.380 8.068 0.312 18887 551 1 . 1 1 97 97 ASN N N 97 117.000 117.000 118.208 -1.208 18887 552 1 . 1 1 97 97 ASN HA H 97 4.420 4.420 4.425 -0.005 18887 553 1 . 1 1 97 97 ASN C C 97 178.380 178.380 177.665 0.715 18887 554 1 . 1 1 97 97 ASN CA C 97 57.430 57.430 56.512 0.918 18887 555 1 . 1 1 97 97 ASN CB C 97 39.030 39.030 38.308 0.722 18887 556 1 . 1 1 97 97 ASN H H 97 8.730 8.730 8.094 0.635 18887 557 1 . 1 1 98 98 ALA N N 98 123.790 123.790 122.669 1.121 18887 558 1 . 1 1 98 98 ALA HA H 98 4.100 4.100 4.105 -0.005 18887 559 1 . 1 1 98 98 ALA C C 98 169.600 169.600 179.147 -9.547 18887 560 1 . 1 1 98 98 ALA CA C 98 55.890 55.890 54.916 0.974 18887 561 1 . 1 1 98 98 ALA CB C 98 18.850 18.850 18.247 0.603 18887 562 1 . 1 1 98 98 ALA H H 98 7.950 7.950 8.169 -0.219 18887 563 1 . 1 1 99 99 ALA N N 99 122.120 122.120 120.884 1.236 18887 564 1 . 1 1 99 99 ALA HA H 99 3.930 3.930 4.006 -0.076 18887 565 1 . 1 1 99 99 ALA C C 99 178.700 178.700 179.850 -1.150 18887 566 1 . 1 1 99 99 ALA CA C 99 55.920 55.920 54.653 1.267 18887 567 1 . 1 1 99 99 ALA CB C 99 18.960 18.960 18.576 0.384 18887 568 1 . 1 1 99 99 ALA H H 99 7.930 7.930 7.642 0.288 18887 569 1 . 1 1 100 100 LEU N N 100 115.870 115.870 118.918 -3.048 18887 570 1 . 1 1 100 100 LEU HA H 100 3.900 3.900 4.020 -0.120 18887 571 1 . 1 1 100 100 LEU C C 100 169.150 169.150 178.744 -9.594 18887 572 1 . 1 1 100 100 LEU CA C 100 58.140 58.140 57.224 0.916 18887 573 1 . 1 1 100 100 LEU CB C 100 41.730 41.730 41.251 0.479 18887 574 1 . 1 1 100 100 LEU H H 100 8.220 8.220 7.954 0.267 18887 575 1 . 1 1 101 101 ALA N N 101 120.410 120.410 121.409 -0.999 18887 576 1 . 1 1 101 101 ALA HA H 101 4.100 4.100 4.181 -0.081 18887 577 1 . 1 1 101 101 ALA C C 101 169.730 169.730 179.269 -9.539 18887 578 1 . 1 1 101 101 ALA CA C 101 55.680 55.680 54.751 0.929 18887 579 1 . 1 1 101 101 ALA CB C 101 18.860 18.860 18.291 0.570 18887 580 1 . 1 1 101 101 ALA H H 101 7.970 7.970 7.969 0.000 18887 581 1 . 1 1 102 102 LEU N N 102 115.090 115.090 117.817 -2.727 18887 582 1 . 1 1 102 102 LEU HA H 102 4.120 4.120 4.166 -0.046 18887 583 1 . 1 1 102 102 LEU C C 102 169.060 169.060 178.189 -9.129 18887 584 1 . 1 1 102 102 LEU CA C 102 57.870 57.870 57.062 0.808 18887 585 1 . 1 1 102 102 LEU CB C 102 43.730 43.730 42.107 1.623 18887 586 1 . 1 1 102 102 LEU H H 102 7.330 7.330 7.597 -0.267 18887 587 1 . 1 1 103 103 ILE N N 103 110.170 110.170 113.016 -2.846 18887 588 1 . 1 1 103 103 ILE HA H 103 4.430 4.430 4.255 0.175 18887 589 1 . 1 1 103 103 ILE C C 103 176.670 176.670 176.848 -0.178 18887 590 1 . 1 1 103 103 ILE CA C 103 62.520 62.520 62.264 0.256 18887 591 1 . 1 1 103 103 ILE CB C 103 40.020 40.020 39.276 0.744 18887 592 1 . 1 1 103 103 ILE H H 103 7.140 7.140 7.477 -0.337 18887 593 1 . 1 1 104 104 ASP N N 104 122.560 122.560 119.618 2.942 18887 594 1 . 1 1 104 104 ASP HA H 104 4.650 4.650 4.660 -0.010 18887 595 1 . 1 1 104 104 ASP C C 104 176.670 176.670 175.904 0.766 18887 596 1 . 1 1 104 104 ASP CA C 104 56.220 56.220 54.754 1.466 18887 597 1 . 1 1 104 104 ASP CB C 104 42.080 42.080 42.605 -0.525 18887 598 1 . 1 1 104 104 ASP H H 104 8.000 8.000 8.142 -0.142 18887 599 1 . 1 1 105 105 GLU N N 105 120.750 120.750 117.403 3.347 18887 600 1 . 1 1 105 105 GLU HA H 105 4.300 4.300 4.016 0.284 18887 601 1 . 1 1 105 105 GLU C C 105 175.470 175.470 175.168 0.302 18887 602 1 . 1 1 105 105 GLU CA C 105 57.640 57.640 57.503 0.137 18887 603 1 . 1 1 105 105 GLU CB C 105 30.870 30.870 28.594 2.276 18887 604 1 . 1 1 105 105 GLU H H 105 8.030 8.030 8.134 -0.104 18887 stop_ save_