data_18375 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18375 _Entry.PDB_ID 2LRJ 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 18375 _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 3 3 SER HA H 3 4.510 4.510 4.294 0.216 18375 2 1 1 . 1 1 3 3 SER C C 3 174.460 174.460 175.247 -0.787 18375 3 1 1 . 1 1 3 3 SER CA C 3 59.400 59.400 59.115 0.285 18375 4 1 1 . 1 1 3 3 SER CB C 3 64.820 64.820 63.510 1.310 18375 5 1 1 . 1 1 4 4 ILE N N 4 121.890 121.890 119.975 1.915 18375 6 1 1 . 1 1 4 4 ILE HA H 4 4.210 4.210 3.930 0.280 18375 7 1 1 . 1 1 4 4 ILE C C 4 176.040 176.040 175.147 0.893 18375 8 1 1 . 1 1 4 4 ILE CA C 4 62.180 62.180 61.585 0.595 18375 9 1 1 . 1 1 4 4 ILE CB C 4 39.930 39.930 36.972 2.958 18375 10 1 1 . 1 1 4 4 ILE H H 4 8.180 8.180 8.508 -0.328 18375 11 1 1 . 1 1 5 5 SER N N 5 119.230 119.230 117.162 2.068 18375 12 1 1 . 1 1 5 5 SER C C 5 174.290 174.290 174.952 -0.662 18375 13 1 1 . 1 1 5 5 SER CA C 5 59.140 59.140 59.185 -0.045 18375 14 1 1 . 1 1 5 5 SER CB C 5 64.930 64.930 64.731 0.199 18375 15 1 1 . 1 1 5 5 SER H H 5 8.270 8.270 8.550 -0.280 18375 16 1 1 . 1 1 6 6 HIS HA H 6 4.650 4.650 4.703 -0.053 18375 17 1 1 . 1 1 6 6 HIS CA C 6 57.240 57.240 55.681 1.559 18375 18 1 1 . 1 1 6 6 HIS CB C 6 31.150 31.150 28.354 2.796 18375 19 1 1 . 1 1 7 7 SER N N 7 117.260 117.260 118.324 -1.064 18375 20 1 1 . 1 1 7 7 SER HA H 7 4.430 4.430 4.347 0.083 18375 21 1 1 . 1 1 7 7 SER C C 7 174.890 174.890 175.385 -0.495 18375 22 1 1 . 1 1 7 7 SER CA C 7 59.750 59.750 58.076 1.674 18375 23 1 1 . 1 1 7 7 SER CB C 7 64.890 64.890 65.254 -0.364 18375 24 1 1 . 1 1 7 7 SER H H 7 8.360 8.360 8.041 0.319 18375 25 1 1 . 1 1 8 8 GLY N N 8 110.140 110.140 113.237 -3.097 18375 26 1 1 . 1 1 8 8 GLY C C 8 173.340 173.340 174.610 -1.270 18375 27 1 1 . 1 1 8 8 GLY CA C 8 45.920 45.920 46.213 -0.293 18375 28 1 1 . 1 1 8 8 GLY H H 8 8.500 8.500 8.349 0.151 18375 29 1 1 . 1 1 9 9 ASN N N 9 118.840 118.840 122.060 -3.220 18375 30 1 1 . 1 1 9 9 ASN HA H 9 3.430 3.430 4.908 -1.478 18375 31 1 1 . 1 1 9 9 ASN C C 9 175.460 175.460 176.754 -1.294 18375 32 1 1 . 1 1 9 9 ASN CA C 9 53.400 53.400 52.705 0.695 18375 33 1 1 . 1 1 9 9 ASN CB C 9 38.780 38.780 39.109 -0.329 18375 34 1 1 . 1 1 9 9 ASN H H 9 8.280 8.280 8.362 -0.082 18375 35 1 1 . 1 1 10 10 LEU N N 10 125.560 125.560 124.397 1.163 18375 36 1 1 . 1 1 10 10 LEU HA H 10 4.250 4.250 4.233 0.017 18375 37 1 1 . 1 1 10 10 LEU C C 10 177.320 177.320 177.453 -0.133 18375 38 1 1 . 1 1 10 10 LEU CA C 10 55.080 55.080 55.274 -0.194 18375 39 1 1 . 1 1 10 10 LEU CB C 10 42.110 42.110 42.039 0.071 18375 40 1 1 . 1 1 10 10 LEU H H 10 6.850 6.850 8.373 -1.523 18375 41 1 1 . 1 1 11 11 TYR N N 11 120.920 120.920 117.814 3.106 18375 42 1 1 . 1 1 11 11 TYR HA H 11 4.350 4.350 4.363 -0.013 18375 43 1 1 . 1 1 11 11 TYR C C 11 174.800 174.800 176.990 -2.190 18375 44 1 1 . 1 1 11 11 TYR CA C 11 60.200 60.200 59.287 0.913 18375 45 1 1 . 1 1 11 11 TYR CB C 11 38.520 38.520 39.958 -1.438 18375 46 1 1 . 1 1 11 11 TYR H H 11 7.680 7.680 8.287 -0.607 18375 47 1 1 . 1 1 12 12 THR N N 12 118.320 118.320 114.206 4.114 18375 48 1 1 . 1 1 12 12 THR HA H 12 3.680 3.680 4.117 -0.437 18375 49 1 1 . 1 1 12 12 THR C C 12 173.180 173.180 173.177 0.003 18375 50 1 1 . 1 1 12 12 THR CA C 12 65.310 65.310 63.307 2.003 18375 51 1 1 . 1 1 12 12 THR CB C 12 70.080 70.080 69.500 0.580 18375 52 1 1 . 1 1 12 12 THR H H 12 8.320 8.320 8.477 -0.157 18375 53 1 1 . 1 1 13 13 ALA N N 13 111.540 111.540 120.428 -8.888 18375 54 1 1 . 1 1 13 13 ALA HA H 13 3.690 3.690 3.647 0.043 18375 55 1 1 . 1 1 13 13 ALA CA C 13 53.700 53.700 51.219 2.481 18375 56 1 1 . 1 1 13 13 ALA H H 13 8.150 8.150 7.808 0.342 18375 57 1 1 . 1 1 14 14 GLY N N 14 109.410 109.410 105.757 3.653 18375 58 1 1 . 1 1 14 14 GLY C C 14 173.310 173.310 172.473 0.837 18375 59 1 1 . 1 1 14 14 GLY CA C 14 44.150 44.150 44.789 -0.639 18375 60 1 1 . 1 1 14 14 GLY H H 14 4.990 4.990 6.940 -1.950 18375 61 1 1 . 1 1 15 15 GLN N N 15 115.720 115.720 119.967 -4.247 18375 62 1 1 . 1 1 15 15 GLN HA H 15 4.410 4.410 4.640 -0.230 18375 63 1 1 . 1 1 15 15 GLN C C 15 176.310 176.310 175.271 1.039 18375 64 1 1 . 1 1 15 15 GLN CA C 15 55.570 55.570 54.131 1.439 18375 65 1 1 . 1 1 15 15 GLN CB C 15 31.180 31.180 32.299 -1.119 18375 66 1 1 . 1 1 15 15 GLN H H 15 7.170 7.170 7.878 -0.708 18375 67 1 1 . 1 1 16 16 CYS N N 16 118.020 118.020 120.536 -2.516 18375 68 1 1 . 1 1 16 16 CYS HA H 16 4.590 4.590 4.354 0.236 18375 69 1 1 . 1 1 16 16 CYS C C 16 176.730 176.730 176.117 0.613 18375 70 1 1 . 1 1 16 16 CYS CA C 16 61.050 61.050 62.583 -1.532 18375 71 1 1 . 1 1 16 16 CYS CB C 16 28.600 28.600 27.918 0.682 18375 72 1 1 . 1 1 16 16 CYS H H 16 9.300 9.300 8.434 0.866 18375 73 1 1 . 1 1 17 17 THR N N 17 113.910 113.910 110.506 3.404 18375 74 1 1 . 1 1 17 17 THR HA H 17 3.180 3.180 4.268 -1.088 18375 75 1 1 . 1 1 17 17 THR C C 17 174.260 174.260 174.359 -0.099 18375 76 1 1 . 1 1 17 17 THR CA C 17 62.800 62.800 63.604 -0.804 18375 77 1 1 . 1 1 17 17 THR CB C 17 69.000 69.000 67.854 1.146 18375 78 1 1 . 1 1 17 17 THR H H 17 7.300 7.300 8.126 -0.826 18375 79 1 1 . 1 1 18 18 TRP N N 18 123.650 123.650 123.689 -0.039 18375 80 1 1 . 1 1 18 18 TRP HA H 18 4.380 4.380 4.357 0.023 18375 81 1 1 . 1 1 18 18 TRP C C 18 177.910 177.910 176.710 1.200 18375 82 1 1 . 1 1 18 18 TRP CA C 18 61.600 61.600 60.885 0.715 18375 83 1 1 . 1 1 18 18 TRP CB C 18 31.320 31.320 30.304 1.016 18375 84 1 1 . 1 1 18 18 TRP H H 18 6.640 6.640 7.088 -0.448 18375 85 1 1 . 1 1 19 19 TYR N N 19 115.660 115.660 120.494 -4.834 18375 86 1 1 . 1 1 19 19 TYR HA H 19 4.120 4.120 3.703 0.417 18375 87 1 1 . 1 1 19 19 TYR C C 19 177.170 177.170 177.488 -0.318 18375 88 1 1 . 1 1 19 19 TYR CA C 19 61.370 61.370 61.685 -0.315 18375 89 1 1 . 1 1 19 19 TYR CB C 19 42.110 42.110 38.377 3.733 18375 90 1 1 . 1 1 19 19 TYR H H 19 7.680 7.680 8.790 -1.110 18375 91 1 1 . 1 1 20 20 VAL N N 20 116.740 116.740 118.806 -2.066 18375 92 1 1 . 1 1 20 20 VAL HA H 20 3.030 3.030 3.499 -0.469 18375 93 1 1 . 1 1 20 20 VAL C C 20 176.410 176.410 177.965 -1.555 18375 94 1 1 . 1 1 20 20 VAL CA C 20 68.360 68.360 67.752 0.608 18375 95 1 1 . 1 1 20 20 VAL CB C 20 32.210 32.210 31.657 0.553 18375 96 1 1 . 1 1 20 20 VAL H H 20 7.450 7.450 7.717 -0.267 18375 97 1 1 . 1 1 21 21 TYR N N 21 118.550 118.550 119.246 -0.696 18375 98 1 1 . 1 1 21 21 TYR HA H 21 3.560 3.560 4.304 -0.744 18375 99 1 1 . 1 1 21 21 TYR C C 21 176.490 176.490 177.287 -0.797 18375 100 1 1 . 1 1 21 21 TYR CA C 21 63.990 63.990 61.005 2.985 18375 101 1 1 . 1 1 21 21 TYR CB C 21 38.970 38.970 38.447 0.524 18375 102 1 1 . 1 1 21 21 TYR H H 21 8.370 8.370 7.605 0.765 18375 103 1 1 . 1 1 22 22 ASP N N 22 115.760 115.760 117.678 -1.918 18375 104 1 1 . 1 1 22 22 ASP HA H 22 4.260 4.260 4.151 0.109 18375 105 1 1 . 1 1 22 22 ASP C C 22 169.690 169.690 178.203 -8.513 18375 106 1 1 . 1 1 22 22 ASP CA C 22 58.010 58.010 57.267 0.742 18375 107 1 1 . 1 1 22 22 ASP CB C 22 41.770 41.770 40.272 1.498 18375 108 1 1 . 1 1 22 22 ASP H H 22 6.880 6.880 7.806 -0.926 18375 109 1 1 . 1 1 23 23 LYS N N 23 121.790 121.790 117.580 4.210 18375 110 1 1 . 1 1 23 23 LYS HA H 23 3.610 3.610 3.847 -0.237 18375 111 1 1 . 1 1 23 23 LYS C C 23 178.360 178.360 177.687 0.673 18375 112 1 1 . 1 1 23 23 LYS CA C 23 57.990 57.990 56.612 1.378 18375 113 1 1 . 1 1 23 23 LYS CB C 23 31.350 31.350 31.507 -0.157 18375 114 1 1 . 1 1 23 23 LYS H H 23 7.820 7.820 7.534 0.286 18375 115 1 1 . 1 1 24 24 VAL N N 24 108.790 108.790 110.610 -1.820 18375 116 1 1 . 1 1 24 24 VAL HA H 24 4.390 4.390 4.349 0.041 18375 117 1 1 . 1 1 24 24 VAL C C 24 176.840 176.840 176.256 0.584 18375 118 1 1 . 1 1 24 24 VAL CA C 24 61.430 61.430 60.805 0.625 18375 119 1 1 . 1 1 24 24 VAL CB C 24 31.690 31.690 31.369 0.321 18375 120 1 1 . 1 1 24 24 VAL H H 24 7.590 7.590 7.074 0.516 18375 121 1 1 . 1 1 25 25 GLY N N 25 110.620 110.620 109.141 1.479 18375 122 1 1 . 1 1 25 25 GLY C C 25 175.510 175.510 175.140 0.370 18375 123 1 1 . 1 1 25 25 GLY CA C 25 47.110 47.110 45.384 1.726 18375 124 1 1 . 1 1 25 25 GLY H H 25 7.680 7.680 7.275 0.405 18375 125 1 1 . 1 1 26 26 GLY N N 26 122.410 122.410 106.383 16.027 18375 126 1 1 . 1 1 26 26 GLY C C 26 174.470 174.470 174.947 -0.477 18375 127 1 1 . 1 1 26 26 GLY CA C 26 46.440 46.440 44.443 1.998 18375 128 1 1 . 1 1 26 26 GLY H H 26 7.870 7.870 7.489 0.381 18375 129 1 1 . 1 1 27 27 GLU N N 27 116.720 116.720 120.213 -3.493 18375 130 1 1 . 1 1 27 27 GLU HA H 27 4.150 4.150 4.057 0.093 18375 131 1 1 . 1 1 27 27 GLU C C 27 175.810 175.810 176.303 -0.493 18375 132 1 1 . 1 1 27 27 GLU CA C 27 58.110 58.110 58.080 0.031 18375 133 1 1 . 1 1 27 27 GLU CB C 27 30.500 30.500 29.928 0.572 18375 134 1 1 . 1 1 27 27 GLU H H 27 6.650 6.650 7.816 -1.166 18375 135 1 1 . 1 1 28 28 ILE N N 28 125.210 125.210 115.168 10.042 18375 136 1 1 . 1 1 28 28 ILE HA H 28 4.040 4.040 4.284 -0.244 18375 137 1 1 . 1 1 28 28 ILE CA C 28 60.160 60.160 59.699 0.461 18375 138 1 1 . 1 1 28 28 ILE CB C 28 40.940 40.940 39.519 1.421 18375 139 1 1 . 1 1 28 28 ILE H H 28 6.330 6.330 7.586 -1.256 18375 140 1 1 . 1 1 29 29 GLY C C 29 174.050 174.050 173.754 0.296 18375 141 1 1 . 1 1 29 29 GLY CA C 29 46.190 46.190 44.435 1.755 18375 142 1 1 . 1 1 30 30 SER N N 30 115.530 115.530 114.016 1.514 18375 143 1 1 . 1 1 30 30 SER HA H 30 4.140 4.140 3.422 0.718 18375 144 1 1 . 1 1 30 30 SER C C 30 174.000 174.000 175.108 -1.108 18375 145 1 1 . 1 1 30 30 SER CA C 30 60.180 60.180 59.828 0.352 18375 146 1 1 . 1 1 30 30 SER CB C 30 65.150 65.150 61.387 3.763 18375 147 1 1 . 1 1 30 30 SER H H 30 8.540 8.540 7.433 1.107 18375 148 1 1 . 1 1 31 31 THR N N 31 124.440 124.440 117.184 7.256 18375 149 1 1 . 1 1 31 31 THR HA H 31 4.460 4.460 4.361 0.099 18375 150 1 1 . 1 1 31 31 THR C C 31 175.390 175.390 174.209 1.181 18375 151 1 1 . 1 1 31 31 THR CA C 31 61.350 61.350 61.538 -0.188 18375 152 1 1 . 1 1 31 31 THR CB C 31 69.190 69.190 68.809 0.381 18375 153 1 1 . 1 1 31 31 THR H H 31 7.070 7.070 8.209 -1.139 18375 154 1 1 . 1 1 32 32 TRP N N 32 121.120 121.120 118.189 2.931 18375 155 1 1 . 1 1 32 32 TRP HA H 32 4.470 4.470 4.532 -0.062 18375 156 1 1 . 1 1 32 32 TRP C C 32 175.720 175.720 176.242 -0.522 18375 157 1 1 . 1 1 32 32 TRP CA C 32 57.500 57.500 54.751 2.749 18375 158 1 1 . 1 1 32 32 TRP CB C 32 28.670 28.670 27.914 0.756 18375 159 1 1 . 1 1 32 32 TRP H H 32 7.750 7.750 7.245 0.505 18375 160 1 1 . 1 1 33 33 GLY N N 33 125.330 125.330 110.032 15.298 18375 161 1 1 . 1 1 33 33 GLY C C 33 175.520 175.520 173.624 1.896 18375 162 1 1 . 1 1 33 33 GLY CA C 33 46.390 46.390 45.844 0.546 18375 163 1 1 . 1 1 33 33 GLY H H 33 8.580 8.580 7.769 0.811 18375 164 1 1 . 1 1 34 34 ASN N N 34 118.870 118.870 120.994 -2.124 18375 165 1 1 . 1 1 34 34 ASN HA H 34 4.720 4.720 5.466 -0.746 18375 166 1 1 . 1 1 34 34 ASN C C 34 175.710 175.710 176.676 -0.966 18375 167 1 1 . 1 1 34 34 ASN CA C 34 54.630 54.630 52.329 2.301 18375 168 1 1 . 1 1 34 34 ASN CB C 34 40.050 40.050 41.681 -1.631 18375 169 1 1 . 1 1 34 34 ASN H H 34 8.780 8.780 8.123 0.657 18375 170 1 1 . 1 1 35 35 ALA N N 35 121.960 121.960 123.389 -1.429 18375 171 1 1 . 1 1 35 35 ALA HA H 35 2.920 2.920 3.549 -0.629 18375 172 1 1 . 1 1 35 35 ALA C C 35 169.710 169.710 178.722 -9.012 18375 173 1 1 . 1 1 35 35 ALA CA C 35 55.950 55.950 55.300 0.651 18375 174 1 1 . 1 1 35 35 ALA CB C 35 20.460 20.460 18.573 1.887 18375 175 1 1 . 1 1 35 35 ALA H H 35 8.750 8.750 8.762 -0.012 18375 176 1 1 . 1 1 36 36 ASN N N 36 114.940 114.940 116.146 -1.206 18375 177 1 1 . 1 1 36 36 ASN HA H 36 4.170 4.170 4.670 -0.500 18375 178 1 1 . 1 1 36 36 ASN C C 36 175.200 175.200 175.856 -0.656 18375 179 1 1 . 1 1 36 36 ASN CA C 36 55.930 55.930 54.067 1.863 18375 180 1 1 . 1 1 36 36 ASN CB C 36 36.690 36.690 38.633 -1.943 18375 181 1 1 . 1 1 36 36 ASN H H 36 8.410 8.410 8.322 0.088 18375 182 1 1 . 1 1 37 37 ASN N N 37 120.180 120.180 117.501 2.679 18375 183 1 1 . 1 1 37 37 ASN HA H 37 5.060 5.060 5.070 -0.010 18375 184 1 1 . 1 1 37 37 ASN C C 37 176.530 176.530 175.276 1.254 18375 185 1 1 . 1 1 37 37 ASN CA C 37 54.250 54.250 52.163 2.087 18375 186 1 1 . 1 1 37 37 ASN CB C 37 41.720 41.720 39.250 2.470 18375 187 1 1 . 1 1 37 37 ASN H H 37 8.850 8.850 8.082 0.768 18375 188 1 1 . 1 1 38 38 TRP N N 38 118.410 118.410 123.463 -5.053 18375 189 1 1 . 1 1 38 38 TRP HA H 38 4.190 4.190 4.543 -0.353 18375 190 1 1 . 1 1 38 38 TRP C C 38 177.390 177.390 178.223 -0.833 18375 191 1 1 . 1 1 38 38 TRP CA C 38 63.450 63.450 62.577 0.874 18375 192 1 1 . 1 1 38 38 TRP CB C 38 29.680 29.680 28.897 0.783 18375 193 1 1 . 1 1 38 38 TRP H H 38 8.240 8.240 7.504 0.736 18375 194 1 1 . 1 1 39 39 ALA N N 39 118.400 118.400 120.902 -2.502 18375 195 1 1 . 1 1 39 39 ALA HA H 39 3.770 3.770 3.986 -0.216 18375 196 1 1 . 1 1 39 39 ALA C C 39 178.580 178.580 179.620 -1.040 18375 197 1 1 . 1 1 39 39 ALA CA C 39 56.760 56.760 55.717 1.043 18375 198 1 1 . 1 1 39 39 ALA CB C 39 18.020 18.020 17.481 0.539 18375 199 1 1 . 1 1 39 39 ALA H H 39 7.150 7.150 8.911 -1.761 18375 200 1 1 . 1 1 40 40 ALA N N 40 121.830 121.830 121.219 0.611 18375 201 1 1 . 1 1 40 40 ALA HA H 40 3.990 3.990 4.089 -0.099 18375 202 1 1 . 1 1 40 40 ALA C C 40 171.320 171.320 179.388 -8.068 18375 203 1 1 . 1 1 40 40 ALA CA C 40 55.610 55.610 54.338 1.272 18375 204 1 1 . 1 1 40 40 ALA CB C 40 18.840 18.840 18.227 0.613 18375 205 1 1 . 1 1 40 40 ALA H H 40 8.060 8.060 7.995 0.065 18375 206 1 1 . 1 1 41 41 ALA N N 41 122.200 122.200 120.625 1.575 18375 207 1 1 . 1 1 41 41 ALA HA H 41 3.630 3.630 3.947 -0.317 18375 208 1 1 . 1 1 41 41 ALA C C 41 170.110 170.110 179.012 -8.902 18375 209 1 1 . 1 1 41 41 ALA CA C 41 55.240 55.240 54.657 0.583 18375 210 1 1 . 1 1 41 41 ALA CB C 41 18.020 18.020 18.775 -0.755 18375 211 1 1 . 1 1 41 41 ALA H H 41 8.250 8.250 8.344 -0.094 18375 212 1 1 . 1 1 42 42 ALA N N 42 119.600 119.600 121.501 -1.901 18375 213 1 1 . 1 1 42 42 ALA HA H 42 3.270 3.270 3.422 -0.152 18375 214 1 1 . 1 1 42 42 ALA C C 42 170.160 170.160 179.628 -9.468 18375 215 1 1 . 1 1 42 42 ALA CA C 42 55.480 55.480 55.082 0.398 18375 216 1 1 . 1 1 42 42 ALA CB C 42 19.890 19.890 18.145 1.745 18375 217 1 1 . 1 1 42 42 ALA H H 42 7.710 7.710 8.861 -1.151 18375 218 1 1 . 1 1 43 43 GLN N N 43 118.750 118.750 118.339 0.411 18375 219 1 1 . 1 1 43 43 GLN HA H 43 4.340 4.340 4.197 0.143 18375 220 1 1 . 1 1 43 43 GLN C C 43 170.980 170.980 179.144 -8.164 18375 221 1 1 . 1 1 43 43 GLN CA C 43 60.200 60.200 58.192 2.008 18375 222 1 1 . 1 1 43 43 GLN CB C 43 29.710 29.710 28.875 0.835 18375 223 1 1 . 1 1 43 43 GLN H H 43 7.880 7.880 7.984 -0.104 18375 224 1 1 . 1 1 44 44 GLY N N 44 125.760 125.760 106.571 19.189 18375 225 1 1 . 1 1 44 44 GLY C C 44 174.300 174.300 174.876 -0.576 18375 226 1 1 . 1 1 44 44 GLY CA C 44 47.660 47.660 46.076 1.584 18375 227 1 1 . 1 1 44 44 GLY H H 44 8.010 8.010 7.707 0.303 18375 228 1 1 . 1 1 45 45 ALA N N 45 121.480 121.480 122.338 -0.858 18375 229 1 1 . 1 1 45 45 ALA HA H 45 4.620 4.620 3.994 0.626 18375 230 1 1 . 1 1 45 45 ALA C C 45 177.190 177.190 177.366 -0.176 18375 231 1 1 . 1 1 45 45 ALA CA C 45 52.680 52.680 52.795 -0.115 18375 232 1 1 . 1 1 45 45 ALA CB C 45 20.560 20.560 19.535 1.025 18375 233 1 1 . 1 1 45 45 ALA H H 45 7.540 7.540 7.617 -0.077 18375 234 1 1 . 1 1 46 46 GLY N N 46 123.690 123.690 104.487 19.203 18375 235 1 1 . 1 1 46 46 GLY C C 46 174.980 174.980 173.974 1.006 18375 236 1 1 . 1 1 46 46 GLY CA C 46 46.540 46.540 44.555 1.985 18375 237 1 1 . 1 1 46 46 GLY H H 46 7.680 7.680 7.573 0.107 18375 238 1 1 . 1 1 47 47 PHE N N 47 119.960 119.960 120.524 -0.564 18375 239 1 1 . 1 1 47 47 PHE HA H 47 4.620 4.620 4.628 -0.008 18375 240 1 1 . 1 1 47 47 PHE C C 47 176.120 176.120 175.477 0.643 18375 241 1 1 . 1 1 47 47 PHE CA C 47 59.000 59.000 54.734 4.266 18375 242 1 1 . 1 1 47 47 PHE CB C 47 40.350 40.350 39.257 1.093 18375 243 1 1 . 1 1 47 47 PHE H H 47 8.280 8.280 7.945 0.335 18375 244 1 1 . 1 1 48 48 THR N N 48 120.680 120.680 119.672 1.008 18375 245 1 1 . 1 1 48 48 THR HA H 48 4.190 4.190 4.476 -0.286 18375 246 1 1 . 1 1 48 48 THR C C 48 173.000 173.000 173.051 -0.051 18375 247 1 1 . 1 1 48 48 THR CA C 48 65.150 65.150 61.732 3.418 18375 248 1 1 . 1 1 48 48 THR CB C 48 70.530 70.530 68.700 1.830 18375 249 1 1 . 1 1 48 48 THR H H 48 9.260 9.260 8.904 0.356 18375 250 1 1 . 1 1 49 49 VAL N N 49 111.320 111.320 125.891 -14.571 18375 251 1 1 . 1 1 49 49 VAL HA H 49 5.380 5.380 4.918 0.462 18375 252 1 1 . 1 1 49 49 VAL C C 49 175.570 175.570 174.504 1.066 18375 253 1 1 . 1 1 49 49 VAL CA C 49 61.510 61.510 60.224 1.286 18375 254 1 1 . 1 1 49 49 VAL CB C 49 34.960 34.960 32.867 2.092 18375 255 1 1 . 1 1 49 49 VAL H H 49 8.560 8.560 8.453 0.107 18375 256 1 1 . 1 1 50 50 ASN N N 50 125.000 125.000 126.752 -1.752 18375 257 1 1 . 1 1 50 50 ASN HA H 50 4.800 4.800 5.181 -0.381 18375 258 1 1 . 1 1 50 50 ASN C C 50 174.270 174.270 173.669 0.601 18375 259 1 1 . 1 1 50 50 ASN CA C 50 53.430 53.430 52.218 1.212 18375 260 1 1 . 1 1 50 50 ASN CB C 50 39.100 39.100 41.159 -2.059 18375 261 1 1 . 1 1 50 50 ASN H H 50 9.010 9.010 8.921 0.089 18375 262 1 1 . 1 1 51 51 HIS N N 51 114.650 114.650 115.322 -0.672 18375 263 1 1 . 1 1 51 51 HIS HA H 51 5.760 5.760 5.066 0.694 18375 264 1 1 . 1 1 51 51 HIS C C 51 174.060 174.060 173.336 0.724 18375 265 1 1 . 1 1 51 51 HIS CA C 51 56.360 56.360 55.893 0.467 18375 266 1 1 . 1 1 51 51 HIS CB C 51 29.980 29.980 30.063 -0.083 18375 267 1 1 . 1 1 51 51 HIS H H 51 8.550 8.550 8.534 0.016 18375 268 1 1 . 1 1 52 52 THR N N 52 119.910 119.910 117.786 2.124 18375 269 1 1 . 1 1 52 52 THR HA H 52 4.600 4.600 4.539 0.061 18375 270 1 1 . 1 1 52 52 THR CA C 52 60.140 60.140 59.974 0.166 18375 271 1 1 . 1 1 52 52 THR CB C 52 71.890 71.890 69.937 1.953 18375 272 1 1 . 1 1 52 52 THR H H 52 8.500 8.500 7.672 0.828 18375 273 1 1 . 1 1 53 53 PRO HA H 53 2.920 2.920 4.301 -1.381 18375 274 1 1 . 1 1 53 53 PRO C C 53 175.410 175.410 175.567 -0.157 18375 275 1 1 . 1 1 53 53 PRO CA C 53 62.460 62.460 62.779 -0.319 18375 276 1 1 . 1 1 53 53 PRO CB C 53 33.410 33.410 32.510 0.900 18375 277 1 1 . 1 1 54 54 SER N N 54 108.990 108.990 116.545 -7.555 18375 278 1 1 . 1 1 54 54 SER HA H 54 4.300 4.300 4.532 -0.232 18375 279 1 1 . 1 1 54 54 SER C C 54 172.380 172.380 172.557 -0.177 18375 280 1 1 . 1 1 54 54 SER CA C 54 58.270 58.270 56.910 1.359 18375 281 1 1 . 1 1 54 54 SER CB C 54 66.620 66.620 64.475 2.145 18375 282 1 1 . 1 1 54 54 SER H H 54 6.000 6.000 8.037 -2.037 18375 283 1 1 . 1 1 55 55 LYS N N 55 124.470 124.470 125.410 -0.940 18375 284 1 1 . 1 1 55 55 LYS HA H 55 3.500 3.500 3.758 -0.258 18375 285 1 1 . 1 1 55 55 LYS C C 55 177.150 177.150 177.483 -0.333 18375 286 1 1 . 1 1 55 55 LYS CA C 55 59.850 59.850 57.910 1.940 18375 287 1 1 . 1 1 55 55 LYS CB C 55 33.010 33.010 31.739 1.271 18375 288 1 1 . 1 1 55 55 LYS H H 55 8.860 8.860 8.816 0.044 18375 289 1 1 . 1 1 56 56 GLY N N 56 116.710 116.710 114.108 2.602 18375 290 1 1 . 1 1 56 56 GLY C C 56 173.430 173.430 173.520 -0.090 18375 291 1 1 . 1 1 56 56 GLY CA C 56 45.600 45.600 44.883 0.717 18375 292 1 1 . 1 1 56 56 GLY H H 56 8.950 8.950 8.770 0.180 18375 293 1 1 . 1 1 57 57 ALA N N 57 118.940 118.940 122.220 -3.280 18375 294 1 1 . 1 1 57 57 ALA HA H 57 4.630 4.630 4.816 -0.186 18375 295 1 1 . 1 1 57 57 ALA C C 57 174.570 174.570 175.384 -0.814 18375 296 1 1 . 1 1 57 57 ALA CA C 57 51.840 51.840 50.481 1.359 18375 297 1 1 . 1 1 57 57 ALA CB C 57 20.960 20.960 21.624 -0.664 18375 298 1 1 . 1 1 57 57 ALA H H 57 7.420 7.420 7.768 -0.348 18375 299 1 1 . 1 1 58 58 ILE N N 58 117.340 117.340 116.512 0.828 18375 300 1 1 . 1 1 58 58 ILE HA H 58 4.720 4.720 4.640 0.080 18375 301 1 1 . 1 1 58 58 ILE C C 58 176.920 176.920 174.455 2.465 18375 302 1 1 . 1 1 58 58 ILE CA C 58 60.910 60.910 60.501 0.409 18375 303 1 1 . 1 1 58 58 ILE CB C 58 41.820 41.820 42.364 -0.544 18375 304 1 1 . 1 1 58 58 ILE H H 58 8.350 8.350 8.486 -0.136 18375 305 1 1 . 1 1 59 59 LEU N N 59 112.330 112.330 124.404 -12.074 18375 306 1 1 . 1 1 59 59 LEU HA H 59 4.220 4.220 4.860 -0.640 18375 307 1 1 . 1 1 59 59 LEU C C 59 174.530 174.530 175.268 -0.738 18375 308 1 1 . 1 1 59 59 LEU CA C 59 56.430 56.430 53.938 2.491 18375 309 1 1 . 1 1 59 59 LEU CB C 59 44.160 44.160 44.512 -0.352 18375 310 1 1 . 1 1 59 59 LEU H H 59 8.430 8.430 8.857 -0.427 18375 311 1 1 . 1 1 60 60 GLN N N 60 111.170 111.170 124.012 -12.842 18375 312 1 1 . 1 1 60 60 GLN HA H 60 4.970 4.970 5.247 -0.277 18375 313 1 1 . 1 1 60 60 GLN C C 60 172.980 172.980 173.946 -0.966 18375 314 1 1 . 1 1 60 60 GLN CA C 60 56.720 56.720 54.689 2.031 18375 315 1 1 . 1 1 60 60 GLN CB C 60 30.950 30.950 33.276 -2.326 18375 316 1 1 . 1 1 60 60 GLN H H 60 9.490 9.490 8.439 1.051 18375 317 1 1 . 1 1 61 61 SER N N 61 118.550 118.550 117.971 0.579 18375 318 1 1 . 1 1 61 61 SER HA H 61 4.940 4.940 4.876 0.064 18375 319 1 1 . 1 1 61 61 SER C C 61 174.370 174.370 173.852 0.518 18375 320 1 1 . 1 1 61 61 SER CA C 61 56.570 56.570 56.934 -0.364 18375 321 1 1 . 1 1 61 61 SER CB C 61 67.130 67.130 65.387 1.743 18375 322 1 1 . 1 1 61 61 SER H H 61 8.800 8.800 8.696 0.104 18375 323 1 1 . 1 1 62 62 SER N N 62 120.910 120.910 119.007 1.903 18375 324 1 1 . 1 1 62 62 SER HA H 62 4.540 4.540 4.589 -0.049 18375 325 1 1 . 1 1 62 62 SER C C 62 173.560 173.560 175.256 -1.696 18375 326 1 1 . 1 1 62 62 SER CA C 62 59.270 59.270 58.568 0.702 18375 327 1 1 . 1 1 62 62 SER CB C 62 64.390 64.390 63.554 0.836 18375 328 1 1 . 1 1 62 62 SER H H 62 8.900 8.900 8.945 -0.045 18375 329 1 1 . 1 1 63 63 GLU N N 63 121.810 121.810 122.274 -0.464 18375 330 1 1 . 1 1 63 63 GLU HA H 63 4.220 4.220 4.363 -0.143 18375 331 1 1 . 1 1 63 63 GLU C C 63 176.030 176.030 176.227 -0.197 18375 332 1 1 . 1 1 63 63 GLU CA C 63 57.840 57.840 56.520 1.320 18375 333 1 1 . 1 1 63 63 GLU CB C 63 32.170 32.170 29.974 2.196 18375 334 1 1 . 1 1 63 63 GLU H H 63 8.040 8.040 7.455 0.585 18375 335 1 1 . 1 1 64 64 GLY N N 64 125.900 125.900 111.719 14.181 18375 336 1 1 . 1 1 64 64 GLY CA C 64 45.490 45.490 44.328 1.161 18375 337 1 1 . 1 1 64 64 GLY H H 64 8.200 8.200 8.092 0.108 18375 338 1 1 . 1 1 65 65 PRO HA H 65 4.040 4.040 4.321 -0.281 18375 339 1 1 . 1 1 65 65 PRO C C 65 177.870 177.870 176.349 1.521 18375 340 1 1 . 1 1 65 65 PRO CA C 65 65.610 65.610 64.761 0.849 18375 341 1 1 . 1 1 65 65 PRO CB C 65 32.160 32.160 32.204 -0.044 18375 342 1 1 . 1 1 66 66 PHE N N 66 112.970 112.970 116.086 -3.116 18375 343 1 1 . 1 1 66 66 PHE HA H 66 4.920 4.920 4.705 0.215 18375 344 1 1 . 1 1 66 66 PHE C C 66 176.190 176.190 175.244 0.946 18375 345 1 1 . 1 1 66 66 PHE CA C 66 57.420 57.420 57.137 0.283 18375 346 1 1 . 1 1 66 66 PHE CB C 66 42.360 42.360 39.840 2.520 18375 347 1 1 . 1 1 66 66 PHE H H 66 8.490 8.490 8.097 0.393 18375 348 1 1 . 1 1 67 67 GLY N N 67 124.370 124.370 107.670 16.700 18375 349 1 1 . 1 1 67 67 GLY C C 67 172.480 172.480 172.420 0.060 18375 350 1 1 . 1 1 67 67 GLY CA C 67 46.860 46.860 44.738 2.122 18375 351 1 1 . 1 1 67 67 GLY H H 67 6.940 6.940 7.442 -0.502 18375 352 1 1 . 1 1 68 68 HIS N N 68 117.820 117.820 119.729 -1.909 18375 353 1 1 . 1 1 68 68 HIS HA H 68 5.020 5.020 4.840 0.180 18375 354 1 1 . 1 1 68 68 HIS C C 68 173.790 173.790 173.106 0.684 18375 355 1 1 . 1 1 68 68 HIS CA C 68 58.230 58.230 54.734 3.496 18375 356 1 1 . 1 1 68 68 HIS CB C 68 36.120 36.120 31.897 4.223 18375 357 1 1 . 1 1 68 68 HIS H H 68 8.590 8.590 8.383 0.207 18375 358 1 1 . 1 1 69 69 VAL N N 69 116.830 116.830 121.787 -4.957 18375 359 1 1 . 1 1 69 69 VAL HA H 69 5.320 5.320 5.107 0.213 18375 360 1 1 . 1 1 69 69 VAL C C 69 173.060 173.060 173.637 -0.577 18375 361 1 1 . 1 1 69 69 VAL CA C 69 58.940 58.940 58.909 0.031 18375 362 1 1 . 1 1 69 69 VAL CB C 69 37.700 37.700 35.146 2.554 18375 363 1 1 . 1 1 69 69 VAL H H 69 6.040 6.040 7.793 -1.753 18375 364 1 1 . 1 1 70 70 ALA N N 70 120.820 120.820 126.752 -5.932 18375 365 1 1 . 1 1 70 70 ALA HA H 70 4.510 4.510 4.763 -0.253 18375 366 1 1 . 1 1 70 70 ALA C C 70 173.870 173.870 175.111 -1.241 18375 367 1 1 . 1 1 70 70 ALA CA C 70 51.560 51.560 50.929 0.631 18375 368 1 1 . 1 1 70 70 ALA CB C 70 26.390 26.390 22.466 3.924 18375 369 1 1 . 1 1 70 70 ALA H H 70 8.890 8.890 8.562 0.328 18375 370 1 1 . 1 1 71 71 TYR N N 71 121.640 121.640 126.868 -5.228 18375 371 1 1 . 1 1 71 71 TYR HA H 71 4.890 4.890 4.455 0.435 18375 372 1 1 . 1 1 71 71 TYR C C 71 174.620 174.620 174.213 0.407 18375 373 1 1 . 1 1 71 71 TYR CA C 71 58.140 58.140 58.376 -0.236 18375 374 1 1 . 1 1 71 71 TYR CB C 71 42.850 42.850 39.434 3.416 18375 375 1 1 . 1 1 71 71 TYR H H 71 9.310 9.310 8.525 0.785 18375 376 1 1 . 1 1 72 72 VAL N N 72 126.010 126.010 127.940 -1.930 18375 377 1 1 . 1 1 72 72 VAL HA H 72 3.880 3.880 3.767 0.113 18375 378 1 1 . 1 1 72 72 VAL C C 72 174.250 174.250 175.467 -1.217 18375 379 1 1 . 1 1 72 72 VAL CA C 72 64.970 64.970 62.382 2.588 18375 380 1 1 . 1 1 72 72 VAL CB C 72 31.470 31.470 31.334 0.136 18375 381 1 1 . 1 1 72 72 VAL H H 72 8.230 8.230 8.649 -0.419 18375 382 1 1 . 1 1 73 73 GLU N N 73 112.690 112.690 128.187 -15.497 18375 383 1 1 . 1 1 73 73 GLU HA H 73 4.250 4.250 4.089 0.161 18375 384 1 1 . 1 1 73 73 GLU C C 73 178.020 178.020 176.248 1.772 18375 385 1 1 . 1 1 73 73 GLU CA C 73 58.400 58.400 57.659 0.741 18375 386 1 1 . 1 1 73 73 GLU CB C 73 31.050 31.050 30.709 0.341 18375 387 1 1 . 1 1 73 73 GLU H H 73 8.820 8.820 8.509 0.311 18375 388 1 1 . 1 1 74 74 SER N N 74 125.880 125.880 108.835 17.045 18375 389 1 1 . 1 1 74 74 SER HA H 74 4.330 4.330 4.552 -0.222 18375 390 1 1 . 1 1 74 74 SER C C 74 172.030 172.030 172.018 0.012 18375 391 1 1 . 1 1 74 74 SER CA C 74 59.220 59.220 57.742 1.478 18375 392 1 1 . 1 1 74 74 SER CB C 74 65.620 65.620 65.273 0.347 18375 393 1 1 . 1 1 74 74 SER H H 74 7.900 7.900 7.663 0.237 18375 394 1 1 . 1 1 75 75 VAL N N 75 122.760 122.760 122.872 -0.112 18375 395 1 1 . 1 1 75 75 VAL HA H 75 4.320 4.320 4.137 0.183 18375 396 1 1 . 1 1 75 75 VAL C C 75 176.270 176.270 175.094 1.176 18375 397 1 1 . 1 1 75 75 VAL CA C 75 63.380 63.380 60.478 2.902 18375 398 1 1 . 1 1 75 75 VAL CB C 75 32.750 32.750 33.313 -0.563 18375 399 1 1 . 1 1 75 75 VAL H H 75 8.400 8.400 8.359 0.041 18375 400 1 1 . 1 1 76 76 ASN N N 76 125.270 125.270 126.559 -1.289 18375 401 1 1 . 1 1 76 76 ASN HA H 76 4.790 4.790 4.957 -0.167 18375 402 1 1 . 1 1 76 76 ASN CA C 76 54.260 54.260 53.261 0.999 18375 403 1 1 . 1 1 76 76 ASN CB C 76 39.960 39.960 39.765 0.195 18375 404 1 1 . 1 1 76 76 ASN H H 76 9.080 9.080 8.990 0.090 18375 405 1 1 . 1 1 77 77 SER HA H 77 4.130 4.130 4.286 -0.156 18375 406 1 1 . 1 1 77 77 SER C C 77 174.410 174.410 174.659 -0.249 18375 407 1 1 . 1 1 77 77 SER CA C 77 62.670 62.670 60.724 1.946 18375 408 1 1 . 1 1 77 77 SER CB C 77 63.600 63.600 62.872 0.728 18375 409 1 1 . 1 1 78 78 ASP N N 78 118.590 118.590 120.991 -2.401 18375 410 1 1 . 1 1 78 78 ASP HA H 78 4.580 4.580 4.611 -0.031 18375 411 1 1 . 1 1 78 78 ASP C C 78 176.790 176.790 177.186 -0.396 18375 412 1 1 . 1 1 78 78 ASP CA C 78 53.960 53.960 54.398 -0.438 18375 413 1 1 . 1 1 78 78 ASP CB C 78 40.880 40.880 40.677 0.203 18375 414 1 1 . 1 1 78 78 ASP H H 78 7.980 7.980 8.195 -0.215 18375 415 1 1 . 1 1 79 79 GLY N N 79 109.220 109.220 107.904 1.316 18375 416 1 1 . 1 1 79 79 GLY C C 79 173.470 173.470 173.469 0.001 18375 417 1 1 . 1 1 79 79 GLY CA C 79 46.050 46.050 45.127 0.923 18375 418 1 1 . 1 1 79 79 GLY H H 79 8.180 8.180 8.164 0.016 18375 419 1 1 . 1 1 80 80 SER N N 80 114.200 114.200 116.035 -1.835 18375 420 1 1 . 1 1 80 80 SER HA H 80 4.350 4.350 5.215 -0.865 18375 421 1 1 . 1 1 80 80 SER C C 80 172.630 172.630 173.597 -0.967 18375 422 1 1 . 1 1 80 80 SER CA C 80 59.580 59.580 57.656 1.924 18375 423 1 1 . 1 1 80 80 SER CB C 80 65.710 65.710 65.175 0.535 18375 424 1 1 . 1 1 80 80 SER H H 80 7.930 7.930 7.499 0.431 18375 425 1 1 . 1 1 81 81 VAL N N 81 118.060 118.060 124.726 -6.666 18375 426 1 1 . 1 1 81 81 VAL HA H 81 4.690 4.690 4.190 0.500 18375 427 1 1 . 1 1 81 81 VAL C C 81 175.220 175.220 175.361 -0.141 18375 428 1 1 . 1 1 81 81 VAL CA C 81 61.980 61.980 61.350 0.630 18375 429 1 1 . 1 1 81 81 VAL CB C 81 36.810 36.810 33.545 3.265 18375 430 1 1 . 1 1 81 81 VAL H H 81 8.820 8.820 9.102 -0.282 18375 431 1 1 . 1 1 82 82 THR N N 82 125.170 125.170 124.620 0.550 18375 432 1 1 . 1 1 82 82 THR HA H 82 5.190 5.190 4.642 0.548 18375 433 1 1 . 1 1 82 82 THR C C 82 174.150 174.150 174.129 0.021 18375 434 1 1 . 1 1 82 82 THR CA C 82 63.440 63.440 63.035 0.405 18375 435 1 1 . 1 1 82 82 THR CB C 82 70.520 70.520 68.237 2.283 18375 436 1 1 . 1 1 82 82 THR H H 82 9.020 9.020 8.979 0.041 18375 437 1 1 . 1 1 83 83 ILE N N 83 120.970 120.970 123.175 -2.205 18375 438 1 1 . 1 1 83 83 ILE HA H 83 5.640 5.640 5.114 0.526 18375 439 1 1 . 1 1 83 83 ILE C C 83 175.030 175.030 174.303 0.727 18375 440 1 1 . 1 1 83 83 ILE CA C 83 59.440 59.440 58.548 0.892 18375 441 1 1 . 1 1 83 83 ILE CB C 83 42.170 42.170 41.670 0.500 18375 442 1 1 . 1 1 83 83 ILE H H 83 9.280 9.280 8.166 1.114 18375 443 1 1 . 1 1 84 84 SER N N 84 115.430 115.430 115.564 -0.134 18375 444 1 1 . 1 1 84 84 SER HA H 84 5.590 5.590 5.239 0.351 18375 445 1 1 . 1 1 84 84 SER C C 84 173.130 173.130 173.567 -0.437 18375 446 1 1 . 1 1 84 84 SER CA C 84 58.050 58.050 56.921 1.129 18375 447 1 1 . 1 1 84 84 SER CB C 84 67.140 67.140 65.982 1.158 18375 448 1 1 . 1 1 84 84 SER H H 84 9.600 9.600 9.007 0.593 18375 449 1 1 . 1 1 85 85 GLU N N 85 117.660 117.660 123.526 -5.866 18375 450 1 1 . 1 1 85 85 GLU HA H 85 5.180 5.180 4.996 0.184 18375 451 1 1 . 1 1 85 85 GLU C C 85 171.780 171.780 174.528 -2.748 18375 452 1 1 . 1 1 85 85 GLU CA C 85 54.880 54.880 54.852 0.028 18375 453 1 1 . 1 1 85 85 GLU CB C 85 33.540 33.540 32.225 1.315 18375 454 1 1 . 1 1 85 85 GLU H H 85 8.800 8.800 8.773 0.027 18375 455 1 1 . 1 1 86 86 MET N N 86 118.950 118.950 127.822 -8.872 18375 456 1 1 . 1 1 86 86 MET HA H 86 5.250 5.250 4.619 0.631 18375 457 1 1 . 1 1 86 86 MET C C 86 175.010 175.010 176.612 -1.602 18375 458 1 1 . 1 1 86 86 MET CA C 86 53.880 53.880 56.022 -2.142 18375 459 1 1 . 1 1 86 86 MET CB C 86 38.240 38.240 33.424 4.816 18375 460 1 1 . 1 1 86 86 MET H H 86 8.490 8.490 8.878 -0.388 18375 461 1 1 . 1 1 87 87 ASN N N 87 116.670 116.670 125.982 -9.312 18375 462 1 1 . 1 1 87 87 ASN HA H 87 4.190 4.190 4.471 -0.281 18375 463 1 1 . 1 1 87 87 ASN C C 87 174.810 174.810 175.443 -0.633 18375 464 1 1 . 1 1 87 87 ASN CA C 87 54.520 54.520 56.566 -2.046 18375 465 1 1 . 1 1 87 87 ASN CB C 87 39.330 39.330 37.537 1.793 18375 466 1 1 . 1 1 87 87 ASN H H 87 8.250 8.250 9.305 -1.055 18375 467 1 1 . 1 1 88 88 TYR N N 88 119.600 119.600 116.438 3.162 18375 468 1 1 . 1 1 88 88 TYR HA H 88 4.290 4.290 3.932 0.358 18375 469 1 1 . 1 1 88 88 TYR C C 88 175.620 175.620 174.958 0.662 18375 470 1 1 . 1 1 88 88 TYR CA C 88 60.720 60.720 61.313 -0.593 18375 471 1 1 . 1 1 88 88 TYR CB C 88 41.430 41.430 37.630 3.800 18375 472 1 1 . 1 1 88 88 TYR H H 88 8.940 8.940 8.513 0.427 18375 473 1 1 . 1 1 89 89 SER N N 89 113.120 113.120 114.925 -1.805 18375 474 1 1 . 1 1 89 89 SER HA H 89 4.320 4.320 4.498 -0.178 18375 475 1 1 . 1 1 89 89 SER C C 89 174.860 174.860 173.523 1.337 18375 476 1 1 . 1 1 89 89 SER CA C 89 58.690 58.690 58.316 0.373 18375 477 1 1 . 1 1 89 89 SER CB C 89 65.140 65.140 64.873 0.267 18375 478 1 1 . 1 1 89 89 SER H H 89 8.060 8.060 8.167 -0.107 18375 479 1 1 . 1 1 90 90 GLY N N 90 110.450 110.450 109.679 0.771 18375 480 1 1 . 1 1 90 90 GLY C C 90 174.680 174.680 173.769 0.911 18375 481 1 1 . 1 1 90 90 GLY CA C 90 45.950 45.950 46.153 -0.203 18375 482 1 1 . 1 1 90 90 GLY H H 90 8.180 8.180 8.037 0.143 18375 483 1 1 . 1 1 91 91 GLY N N 91 108.710 108.710 111.643 -2.933 18375 484 1 1 . 1 1 91 91 GLY CA C 91 45.880 45.880 43.156 2.724 18375 485 1 1 . 1 1 91 91 GLY H H 91 8.330 8.330 8.115 0.215 18375 486 1 1 . 1 1 92 92 PRO HA H 92 4.040 4.040 4.525 -0.485 18375 487 1 1 . 1 1 92 92 PRO C C 92 177.930 177.930 176.460 1.470 18375 488 1 1 . 1 1 92 92 PRO CA C 92 64.710 64.710 63.378 1.332 18375 489 1 1 . 1 1 92 92 PRO CB C 92 32.690 32.690 31.924 0.766 18375 490 1 1 . 1 1 93 93 PHE N N 93 113.220 113.220 116.697 -3.477 18375 491 1 1 . 1 1 93 93 PHE HA H 93 4.480 4.480 4.075 0.405 18375 492 1 1 . 1 1 93 93 PHE C C 93 174.490 174.490 175.257 -0.767 18375 493 1 1 . 1 1 93 93 PHE CA C 93 62.890 62.890 58.950 3.940 18375 494 1 1 . 1 1 93 93 PHE CB C 93 37.410 37.410 37.495 -0.084 18375 495 1 1 . 1 1 93 93 PHE H H 93 8.350 8.350 8.121 0.229 18375 496 1 1 . 1 1 94 94 SER N N 94 115.680 115.680 118.108 -2.428 18375 497 1 1 . 1 1 94 94 SER HA H 94 4.620 4.620 4.395 0.225 18375 498 1 1 . 1 1 94 94 SER C C 94 174.290 174.290 174.903 -0.613 18375 499 1 1 . 1 1 94 94 SER CA C 94 59.150 59.150 59.215 -0.064 18375 500 1 1 . 1 1 94 94 SER CB C 94 64.690 64.690 62.307 2.383 18375 501 1 1 . 1 1 94 94 SER H H 94 7.980 7.980 7.790 0.190 18375 502 1 1 . 1 1 95 95 VAL N N 95 112.520 112.520 127.507 -14.987 18375 503 1 1 . 1 1 95 95 VAL HA H 95 4.830 4.830 3.774 1.056 18375 504 1 1 . 1 1 95 95 VAL C C 95 175.770 175.770 175.089 0.681 18375 505 1 1 . 1 1 95 95 VAL CA C 95 62.520 62.520 62.417 0.103 18375 506 1 1 . 1 1 95 95 VAL CB C 95 34.010 34.010 30.344 3.666 18375 507 1 1 . 1 1 95 95 VAL H H 95 8.840 8.840 8.066 0.774 18375 508 1 1 . 1 1 96 96 SER N N 96 122.260 122.260 122.958 -0.698 18375 509 1 1 . 1 1 96 96 SER HA H 96 4.810 4.810 4.435 0.375 18375 510 1 1 . 1 1 96 96 SER C C 96 172.250 172.250 173.979 -1.729 18375 511 1 1 . 1 1 96 96 SER CA C 96 58.080 58.080 58.527 -0.447 18375 512 1 1 . 1 1 96 96 SER CB C 96 66.590 66.590 63.408 3.182 18375 513 1 1 . 1 1 96 96 SER H H 96 9.190 9.190 8.771 0.419 18375 514 1 1 . 1 1 97 97 SER N N 97 112.810 112.810 123.038 -10.228 18375 515 1 1 . 1 1 97 97 SER HA H 97 5.620 5.620 4.738 0.882 18375 516 1 1 . 1 1 97 97 SER C C 97 174.130 174.130 174.202 -0.072 18375 517 1 1 . 1 1 97 97 SER CA C 97 57.260 57.260 58.193 -0.933 18375 518 1 1 . 1 1 97 97 SER CB C 97 66.740 66.740 64.236 2.504 18375 519 1 1 . 1 1 97 97 SER H H 97 8.290 8.290 8.627 -0.337 18375 520 1 1 . 1 1 98 98 ARG N N 98 122.640 122.640 125.467 -2.827 18375 521 1 1 . 1 1 98 98 ARG HA H 98 4.650 4.650 4.650 -0.000 18375 522 1 1 . 1 1 98 98 ARG C C 98 174.030 174.030 174.277 -0.247 18375 523 1 1 . 1 1 98 98 ARG CA C 98 56.640 56.640 55.816 0.824 18375 524 1 1 . 1 1 98 98 ARG CB C 98 36.240 36.240 33.604 2.636 18375 525 1 1 . 1 1 98 98 ARG H H 98 8.380 8.380 8.310 0.070 18375 526 1 1 . 1 1 99 99 THR N N 99 118.220 118.220 121.225 -3.005 18375 527 1 1 . 1 1 99 99 THR HA H 99 5.280 5.280 5.276 0.004 18375 528 1 1 . 1 1 99 99 THR C C 99 173.930 173.930 173.901 0.029 18375 529 1 1 . 1 1 99 99 THR CA C 99 62.820 62.820 61.504 1.316 18375 530 1 1 . 1 1 99 99 THR CB C 99 71.360 71.360 69.904 1.456 18375 531 1 1 . 1 1 99 99 THR H H 99 8.650 8.650 8.440 0.210 18375 532 1 1 . 1 1 100 100 ILE N N 100 112.130 112.130 128.793 -16.663 18375 533 1 1 . 1 1 100 100 ILE HA H 100 4.290 4.290 4.358 -0.068 18375 534 1 1 . 1 1 100 100 ILE C C 100 175.190 175.190 175.666 -0.476 18375 535 1 1 . 1 1 100 100 ILE CA C 100 60.340 60.340 58.864 1.476 18375 536 1 1 . 1 1 100 100 ILE CB C 100 40.390 40.390 37.409 2.981 18375 537 1 1 . 1 1 100 100 ILE H H 100 9.560 9.560 8.987 0.573 18375 538 1 1 . 1 1 101 101 SER N N 101 121.940 121.940 123.932 -1.992 18375 539 1 1 . 1 1 101 101 SER HA H 101 4.120 4.120 4.466 -0.346 18375 540 1 1 . 1 1 101 101 SER C C 101 174.230 174.230 175.507 -1.277 18375 541 1 1 . 1 1 101 101 SER CA C 101 59.450 59.450 58.529 0.921 18375 542 1 1 . 1 1 101 101 SER CB C 101 65.410 65.410 64.057 1.353 18375 543 1 1 . 1 1 101 101 SER H H 101 8.860 8.860 8.814 0.046 18375 544 1 1 . 1 1 102 102 ALA N N 102 123.870 123.870 127.923 -4.053 18375 545 1 1 . 1 1 102 102 ALA HA H 102 3.910 3.910 3.952 -0.042 18375 546 1 1 . 1 1 102 102 ALA C C 102 170.440 170.440 179.721 -9.281 18375 547 1 1 . 1 1 102 102 ALA CA C 102 56.360 56.360 55.600 0.760 18375 548 1 1 . 1 1 102 102 ALA CB C 102 19.430 19.430 18.371 1.059 18375 549 1 1 . 1 1 102 102 ALA H H 102 8.860 8.860 8.754 0.106 18375 550 1 1 . 1 1 103 103 SER N N 103 109.980 109.980 112.597 -2.617 18375 551 1 1 . 1 1 103 103 SER HA H 103 4.200 4.200 4.188 0.012 18375 552 1 1 . 1 1 103 103 SER C C 103 176.050 176.050 176.714 -0.664 18375 553 1 1 . 1 1 103 103 SER CA C 103 61.680 61.680 61.256 0.424 18375 554 1 1 . 1 1 103 103 SER CB C 103 63.640 63.640 62.959 0.681 18375 555 1 1 . 1 1 103 103 SER H H 103 8.180 8.180 8.277 -0.097 18375 556 1 1 . 1 1 104 104 GLU N N 104 121.250 121.250 120.836 0.414 18375 557 1 1 . 1 1 104 104 GLU HA H 104 4.260 4.260 4.104 0.156 18375 558 1 1 . 1 1 104 104 GLU C C 104 178.240 178.240 178.323 -0.083 18375 559 1 1 . 1 1 104 104 GLU CA C 104 57.960 57.960 58.533 -0.573 18375 560 1 1 . 1 1 104 104 GLU CB C 104 32.210 32.210 29.646 2.564 18375 561 1 1 . 1 1 104 104 GLU H H 104 7.560 7.560 7.512 0.048 18375 562 1 1 . 1 1 105 105 ALA N N 105 121.520 121.520 120.908 0.612 18375 563 1 1 . 1 1 105 105 ALA HA H 105 4.060 4.060 4.260 -0.200 18375 564 1 1 . 1 1 105 105 ALA C C 105 170.230 170.230 179.206 -8.976 18375 565 1 1 . 1 1 105 105 ALA CA C 105 57.080 57.080 54.481 2.599 18375 566 1 1 . 1 1 105 105 ALA CB C 105 19.320 19.320 18.413 0.907 18375 567 1 1 . 1 1 105 105 ALA H H 105 8.280 8.280 8.369 -0.089 18375 568 1 1 . 1 1 106 106 GLY N N 106 121.950 121.950 105.826 16.124 18375 569 1 1 . 1 1 106 106 GLY C C 106 174.110 174.110 175.219 -1.109 18375 570 1 1 . 1 1 106 106 GLY CA C 106 46.780 46.780 46.219 0.561 18375 571 1 1 . 1 1 106 106 GLY H H 106 8.360 8.360 8.048 0.312 18375 572 1 1 . 1 1 107 107 ASN N N 107 117.130 117.130 119.528 -2.398 18375 573 1 1 . 1 1 107 107 ASN HA H 107 4.480 4.480 4.437 0.043 18375 574 1 1 . 1 1 107 107 ASN C C 107 175.110 175.110 175.038 0.072 18375 575 1 1 . 1 1 107 107 ASN CA C 107 54.220 54.220 53.771 0.449 18375 576 1 1 . 1 1 107 107 ASN CB C 107 38.890 38.890 39.240 -0.350 18375 577 1 1 . 1 1 107 107 ASN H H 107 7.830 7.830 7.524 0.306 18375 578 1 1 . 1 1 108 108 TYR N N 108 117.300 117.300 118.977 -1.677 18375 579 1 1 . 1 1 108 108 TYR HA H 108 4.620 4.620 4.731 -0.111 18375 580 1 1 . 1 1 108 108 TYR C C 108 174.810 174.810 176.057 -1.247 18375 581 1 1 . 1 1 108 108 TYR CA C 108 58.700 58.700 59.099 -0.399 18375 582 1 1 . 1 1 108 108 TYR CB C 108 41.260 41.260 38.221 3.039 18375 583 1 1 . 1 1 108 108 TYR H H 108 7.020 7.020 7.336 -0.316 18375 584 1 1 . 1 1 109 109 ASN N N 109 117.260 117.260 120.455 -3.195 18375 585 1 1 . 1 1 109 109 ASN HA H 109 5.020 5.020 5.202 -0.182 18375 586 1 1 . 1 1 109 109 ASN C C 109 173.590 173.590 174.130 -0.540 18375 587 1 1 . 1 1 109 109 ASN CA C 109 53.140 53.140 52.728 0.412 18375 588 1 1 . 1 1 109 109 ASN CB C 109 41.590 41.590 40.629 0.961 18375 589 1 1 . 1 1 109 109 ASN H H 109 7.910 7.910 8.882 -0.972 18375 590 1 1 . 1 1 110 110 TYR N N 110 117.410 117.410 115.370 2.040 18375 591 1 1 . 1 1 110 110 TYR HA H 110 5.300 5.300 5.240 0.060 18375 592 1 1 . 1 1 110 110 TYR C C 110 174.450 174.450 173.678 0.772 18375 593 1 1 . 1 1 110 110 TYR CA C 110 57.740 57.740 56.134 1.606 18375 594 1 1 . 1 1 110 110 TYR CB C 110 41.580 41.580 41.285 0.296 18375 595 1 1 . 1 1 110 110 TYR H H 110 9.340 9.340 9.326 0.014 18375 596 1 1 . 1 1 111 111 ILE N N 111 123.080 123.080 120.626 2.454 18375 597 1 1 . 1 1 111 111 ILE HA H 111 4.360 4.360 4.690 -0.330 18375 598 1 1 . 1 1 111 111 ILE C C 111 175.250 175.250 174.225 1.025 18375 599 1 1 . 1 1 111 111 ILE CA C 111 61.530 61.530 59.774 1.756 18375 600 1 1 . 1 1 111 111 ILE CB C 111 40.560 40.560 39.146 1.414 18375 601 1 1 . 1 1 111 111 ILE H H 111 9.320 9.320 8.711 0.609 18375 602 1 1 . 1 1 112 112 HIS N N 112 109.020 109.020 124.080 -15.060 18375 603 1 1 . 1 1 112 112 HIS HA H 112 4.560 4.560 4.809 -0.249 18375 604 1 1 . 1 1 112 112 HIS C C 112 173.980 173.980 174.443 -0.463 18375 605 1 1 . 1 1 112 112 HIS CA C 112 57.550 57.550 53.541 4.009 18375 606 1 1 . 1 1 112 112 HIS CB C 112 31.350 31.350 31.703 -0.353 18375 607 1 1 . 1 1 112 112 HIS H H 112 8.710 8.710 8.113 0.597 18375 608 1 2 . 1 1 3 3 SER HA H 3 4.510 4.510 4.837 -0.327 18375 609 1 2 . 1 1 3 3 SER C C 3 174.460 174.460 175.626 -1.166 18375 610 1 2 . 1 1 3 3 SER CA C 3 59.400 59.400 57.150 2.250 18375 611 1 2 . 1 1 3 3 SER CB C 3 64.820 64.820 64.871 -0.051 18375 612 1 2 . 1 1 4 4 ILE N N 4 121.890 121.890 120.314 1.576 18375 613 1 2 . 1 1 4 4 ILE HA H 4 4.210 4.210 4.059 0.151 18375 614 1 2 . 1 1 4 4 ILE C C 4 176.040 176.040 176.001 0.039 18375 615 1 2 . 1 1 4 4 ILE CA C 4 62.180 62.180 63.076 -0.896 18375 616 1 2 . 1 1 4 4 ILE CB C 4 39.930 39.930 38.390 1.540 18375 617 1 2 . 1 1 4 4 ILE H H 4 8.180 8.180 8.506 -0.326 18375 618 1 2 . 1 1 5 5 SER N N 5 119.230 119.230 113.018 6.212 18375 619 1 2 . 1 1 5 5 SER C C 5 174.290 174.290 174.115 0.175 18375 620 1 2 . 1 1 5 5 SER CA C 5 59.140 59.140 58.325 0.815 18375 621 1 2 . 1 1 5 5 SER CB C 5 64.930 64.930 63.172 1.758 18375 622 1 2 . 1 1 5 5 SER H H 5 8.270 8.270 7.878 0.392 18375 623 1 2 . 1 1 6 6 HIS HA H 6 4.650 4.650 4.094 0.556 18375 624 1 2 . 1 1 6 6 HIS CA C 6 57.240 57.240 58.686 -1.446 18375 625 1 2 . 1 1 6 6 HIS CB C 6 31.150 31.150 29.092 2.058 18375 626 1 2 . 1 1 7 7 SER N N 7 117.260 117.260 114.291 2.969 18375 627 1 2 . 1 1 7 7 SER HA H 7 4.430 4.430 4.658 -0.228 18375 628 1 2 . 1 1 7 7 SER C C 7 174.890 174.890 174.210 0.680 18375 629 1 2 . 1 1 7 7 SER CA C 7 59.750 59.750 57.865 1.885 18375 630 1 2 . 1 1 7 7 SER CB C 7 64.890 64.890 64.230 0.660 18375 631 1 2 . 1 1 7 7 SER H H 7 8.360 8.360 8.108 0.252 18375 632 1 2 . 1 1 8 8 GLY N N 8 110.140 110.140 111.763 -1.623 18375 633 1 2 . 1 1 8 8 GLY C C 8 173.340 173.340 173.072 0.268 18375 634 1 2 . 1 1 8 8 GLY CA C 8 45.920 45.920 45.918 0.002 18375 635 1 2 . 1 1 8 8 GLY H H 8 8.500 8.500 8.707 -0.207 18375 636 1 2 . 1 1 9 9 ASN N N 9 118.840 118.840 116.768 2.072 18375 637 1 2 . 1 1 9 9 ASN HA H 9 3.430 3.430 5.029 -1.599 18375 638 1 2 . 1 1 9 9 ASN C C 9 175.460 175.460 176.134 -0.674 18375 639 1 2 . 1 1 9 9 ASN CA C 9 53.400 53.400 52.225 1.175 18375 640 1 2 . 1 1 9 9 ASN CB C 9 38.780 38.780 40.555 -1.775 18375 641 1 2 . 1 1 9 9 ASN H H 9 8.280 8.280 7.855 0.425 18375 642 1 2 . 1 1 10 10 LEU N N 10 125.560 125.560 123.281 2.279 18375 643 1 2 . 1 1 10 10 LEU HA H 10 4.250 4.250 4.469 -0.219 18375 644 1 2 . 1 1 10 10 LEU C C 10 177.320 177.320 177.100 0.220 18375 645 1 2 . 1 1 10 10 LEU CA C 10 55.080 55.080 55.054 0.026 18375 646 1 2 . 1 1 10 10 LEU CB C 10 42.110 42.110 41.910 0.200 18375 647 1 2 . 1 1 10 10 LEU H H 10 6.850 6.850 8.603 -1.753 18375 648 1 2 . 1 1 11 11 TYR N N 11 120.920 120.920 118.899 2.021 18375 649 1 2 . 1 1 11 11 TYR HA H 11 4.350 4.350 4.604 -0.254 18375 650 1 2 . 1 1 11 11 TYR C C 11 174.800 174.800 176.048 -1.248 18375 651 1 2 . 1 1 11 11 TYR CA C 11 60.200 60.200 58.222 1.978 18375 652 1 2 . 1 1 11 11 TYR CB C 11 38.520 38.520 40.762 -2.242 18375 653 1 2 . 1 1 11 11 TYR H H 11 7.680 7.680 8.200 -0.520 18375 654 1 2 . 1 1 12 12 THR N N 12 118.320 118.320 115.867 2.453 18375 655 1 2 . 1 1 12 12 THR HA H 12 3.680 3.680 4.290 -0.610 18375 656 1 2 . 1 1 12 12 THR C C 12 173.180 173.180 173.151 0.029 18375 657 1 2 . 1 1 12 12 THR CA C 12 65.310 65.310 62.473 2.837 18375 658 1 2 . 1 1 12 12 THR CB C 12 70.080 70.080 69.873 0.207 18375 659 1 2 . 1 1 12 12 THR H H 12 8.320 8.320 8.591 -0.271 18375 660 1 2 . 1 1 13 13 ALA N N 13 111.540 111.540 124.368 -12.828 18375 661 1 2 . 1 1 13 13 ALA HA H 13 3.690 3.690 3.449 0.241 18375 662 1 2 . 1 1 13 13 ALA CA C 13 53.700 53.700 52.201 1.499 18375 663 1 2 . 1 1 13 13 ALA H H 13 8.150 8.150 8.141 0.009 18375 664 1 2 . 1 1 14 14 GLY N N 14 109.410 109.410 111.436 -2.026 18375 665 1 2 . 1 1 14 14 GLY C C 14 173.310 173.310 173.566 -0.256 18375 666 1 2 . 1 1 14 14 GLY CA C 14 44.150 44.150 44.191 -0.041 18375 667 1 2 . 1 1 14 14 GLY H H 14 4.990 4.990 6.401 -1.411 18375 668 1 2 . 1 1 15 15 GLN N N 15 115.720 115.720 119.011 -3.291 18375 669 1 2 . 1 1 15 15 GLN HA H 15 4.410 4.410 4.752 -0.342 18375 670 1 2 . 1 1 15 15 GLN C C 15 176.310 176.310 177.007 -0.697 18375 671 1 2 . 1 1 15 15 GLN CA C 15 55.570 55.570 53.933 1.637 18375 672 1 2 . 1 1 15 15 GLN CB C 15 31.180 31.180 32.741 -1.561 18375 673 1 2 . 1 1 15 15 GLN H H 15 7.170 7.170 8.055 -0.885 18375 674 1 2 . 1 1 16 16 CYS N N 16 118.020 118.020 119.870 -1.850 18375 675 1 2 . 1 1 16 16 CYS HA H 16 4.590 4.590 4.568 0.022 18375 676 1 2 . 1 1 16 16 CYS C C 16 176.730 176.730 177.200 -0.470 18375 677 1 2 . 1 1 16 16 CYS CA C 16 61.050 61.050 61.906 -0.856 18375 678 1 2 . 1 1 16 16 CYS CB C 16 28.600 28.600 28.244 0.356 18375 679 1 2 . 1 1 16 16 CYS H H 16 9.300 9.300 9.049 0.251 18375 680 1 2 . 1 1 17 17 THR N N 17 113.910 113.910 113.112 0.798 18375 681 1 2 . 1 1 17 17 THR HA H 17 3.180 3.180 4.223 -1.043 18375 682 1 2 . 1 1 17 17 THR C C 17 174.260 174.260 176.349 -2.089 18375 683 1 2 . 1 1 17 17 THR CA C 17 62.800 62.800 64.973 -2.173 18375 684 1 2 . 1 1 17 17 THR CB C 17 69.000 69.000 68.327 0.673 18375 685 1 2 . 1 1 17 17 THR H H 17 7.300 7.300 8.019 -0.719 18375 686 1 2 . 1 1 18 18 TRP N N 18 123.650 123.650 124.619 -0.969 18375 687 1 2 . 1 1 18 18 TRP HA H 18 4.380 4.380 4.443 -0.063 18375 688 1 2 . 1 1 18 18 TRP C C 18 177.910 177.910 177.714 0.196 18375 689 1 2 . 1 1 18 18 TRP CA C 18 61.600 61.600 60.860 0.740 18375 690 1 2 . 1 1 18 18 TRP CB C 18 31.320 31.320 29.308 2.012 18375 691 1 2 . 1 1 18 18 TRP H H 18 6.640 6.640 7.562 -0.922 18375 692 1 2 . 1 1 19 19 TYR N N 19 115.660 115.660 119.618 -3.958 18375 693 1 2 . 1 1 19 19 TYR HA H 19 4.120 4.120 4.030 0.089 18375 694 1 2 . 1 1 19 19 TYR C C 19 177.170 177.170 177.480 -0.310 18375 695 1 2 . 1 1 19 19 TYR CA C 19 61.370 61.370 61.142 0.229 18375 696 1 2 . 1 1 19 19 TYR CB C 19 42.110 42.110 38.783 3.327 18375 697 1 2 . 1 1 19 19 TYR H H 19 7.680 7.680 8.857 -1.177 18375 698 1 2 . 1 1 20 20 VAL N N 20 116.740 116.740 119.990 -3.250 18375 699 1 2 . 1 1 20 20 VAL HA H 20 3.030 3.030 3.554 -0.524 18375 700 1 2 . 1 1 20 20 VAL C C 20 176.410 176.410 178.109 -1.699 18375 701 1 2 . 1 1 20 20 VAL CA C 20 68.360 68.360 67.039 1.321 18375 702 1 2 . 1 1 20 20 VAL CB C 20 32.210 32.210 31.232 0.978 18375 703 1 2 . 1 1 20 20 VAL H H 20 7.450 7.450 8.034 -0.584 18375 704 1 2 . 1 1 21 21 TYR N N 21 118.550 118.550 120.878 -2.328 18375 705 1 2 . 1 1 21 21 TYR HA H 21 3.560 3.560 4.187 -0.627 18375 706 1 2 . 1 1 21 21 TYR C C 21 176.490 176.490 176.927 -0.437 18375 707 1 2 . 1 1 21 21 TYR CA C 21 63.990 63.990 61.732 2.258 18375 708 1 2 . 1 1 21 21 TYR CB C 21 38.970 38.970 38.347 0.623 18375 709 1 2 . 1 1 21 21 TYR H H 21 8.370 8.370 8.177 0.193 18375 710 1 2 . 1 1 22 22 ASP N N 22 115.760 115.760 118.979 -3.219 18375 711 1 2 . 1 1 22 22 ASP HA H 22 4.260 4.260 3.983 0.277 18375 712 1 2 . 1 1 22 22 ASP C C 22 169.690 169.690 178.576 -8.886 18375 713 1 2 . 1 1 22 22 ASP CA C 22 58.010 58.010 57.380 0.630 18375 714 1 2 . 1 1 22 22 ASP CB C 22 41.770 41.770 40.388 1.382 18375 715 1 2 . 1 1 22 22 ASP H H 22 6.880 6.880 7.754 -0.874 18375 716 1 2 . 1 1 23 23 LYS N N 23 121.790 121.790 117.867 3.923 18375 717 1 2 . 1 1 23 23 LYS HA H 23 3.610 3.610 3.745 -0.135 18375 718 1 2 . 1 1 23 23 LYS C C 23 178.360 178.360 177.970 0.390 18375 719 1 2 . 1 1 23 23 LYS CA C 23 57.990 57.990 57.630 0.360 18375 720 1 2 . 1 1 23 23 LYS CB C 23 31.350 31.350 31.610 -0.261 18375 721 1 2 . 1 1 23 23 LYS H H 23 7.820 7.820 7.871 -0.051 18375 722 1 2 . 1 1 24 24 VAL N N 24 108.790 108.790 110.371 -1.581 18375 723 1 2 . 1 1 24 24 VAL HA H 24 4.390 4.390 4.098 0.292 18375 724 1 2 . 1 1 24 24 VAL C C 24 176.840 176.840 176.328 0.512 18375 725 1 2 . 1 1 24 24 VAL CA C 24 61.430 61.430 61.354 0.076 18375 726 1 2 . 1 1 24 24 VAL CB C 24 31.690 31.690 30.762 0.928 18375 727 1 2 . 1 1 24 24 VAL H H 24 7.590 7.590 7.243 0.347 18375 728 1 2 . 1 1 25 25 GLY N N 25 110.620 110.620 108.664 1.956 18375 729 1 2 . 1 1 25 25 GLY C C 25 175.510 175.510 175.035 0.475 18375 730 1 2 . 1 1 25 25 GLY CA C 25 47.110 47.110 45.210 1.900 18375 731 1 2 . 1 1 25 25 GLY H H 25 7.680 7.680 7.480 0.200 18375 732 1 2 . 1 1 26 26 GLY N N 26 122.410 122.410 107.863 14.547 18375 733 1 2 . 1 1 26 26 GLY C C 26 174.470 174.470 173.726 0.744 18375 734 1 2 . 1 1 26 26 GLY CA C 26 46.440 46.440 44.991 1.449 18375 735 1 2 . 1 1 26 26 GLY H H 26 7.870 7.870 7.880 -0.010 18375 736 1 2 . 1 1 27 27 GLU N N 27 116.720 116.720 118.316 -1.596 18375 737 1 2 . 1 1 27 27 GLU HA H 27 4.150 4.150 4.210 -0.060 18375 738 1 2 . 1 1 27 27 GLU C C 27 175.810 175.810 176.520 -0.710 18375 739 1 2 . 1 1 27 27 GLU CA C 27 58.110 58.110 57.530 0.580 18375 740 1 2 . 1 1 27 27 GLU CB C 27 30.500 30.500 30.626 -0.126 18375 741 1 2 . 1 1 27 27 GLU H H 27 6.650 6.650 7.613 -0.963 18375 742 1 2 . 1 1 28 28 ILE N N 28 125.210 125.210 114.471 10.739 18375 743 1 2 . 1 1 28 28 ILE HA H 28 4.040 4.040 4.233 -0.193 18375 744 1 2 . 1 1 28 28 ILE CA C 28 60.160 60.160 59.894 0.266 18375 745 1 2 . 1 1 28 28 ILE CB C 28 40.940 40.940 38.529 2.412 18375 746 1 2 . 1 1 28 28 ILE H H 28 6.330 6.330 7.199 -0.869 18375 747 1 2 . 1 1 29 29 GLY C C 29 174.050 174.050 174.542 -0.492 18375 748 1 2 . 1 1 29 29 GLY CA C 29 46.190 46.190 45.744 0.446 18375 749 1 2 . 1 1 30 30 SER N N 30 115.530 115.530 116.694 -1.164 18375 750 1 2 . 1 1 30 30 SER HA H 30 4.140 4.140 3.402 0.738 18375 751 1 2 . 1 1 30 30 SER C C 30 174.000 174.000 174.423 -0.423 18375 752 1 2 . 1 1 30 30 SER CA C 30 60.180 60.180 58.397 1.783 18375 753 1 2 . 1 1 30 30 SER CB C 30 65.150 65.150 63.531 1.619 18375 754 1 2 . 1 1 30 30 SER H H 30 8.540 8.540 8.187 0.353 18375 755 1 2 . 1 1 31 31 THR N N 31 124.440 124.440 110.884 13.556 18375 756 1 2 . 1 1 31 31 THR HA H 31 4.460 4.460 4.623 -0.163 18375 757 1 2 . 1 1 31 31 THR C C 31 175.390 175.390 174.338 1.052 18375 758 1 2 . 1 1 31 31 THR CA C 31 61.350 61.350 60.504 0.846 18375 759 1 2 . 1 1 31 31 THR CB C 31 69.190 69.190 69.047 0.143 18375 760 1 2 . 1 1 31 31 THR H H 31 7.070 7.070 7.562 -0.492 18375 761 1 2 . 1 1 32 32 TRP N N 32 121.120 121.120 120.582 0.538 18375 762 1 2 . 1 1 32 32 TRP HA H 32 4.470 4.470 4.563 -0.093 18375 763 1 2 . 1 1 32 32 TRP C C 32 175.720 175.720 176.607 -0.887 18375 764 1 2 . 1 1 32 32 TRP CA C 32 57.500 57.500 55.590 1.910 18375 765 1 2 . 1 1 32 32 TRP CB C 32 28.670 28.670 27.906 0.764 18375 766 1 2 . 1 1 32 32 TRP H H 32 7.750 7.750 7.129 0.621 18375 767 1 2 . 1 1 33 33 GLY N N 33 125.330 125.330 108.913 16.417 18375 768 1 2 . 1 1 33 33 GLY C C 33 175.520 175.520 174.045 1.475 18375 769 1 2 . 1 1 33 33 GLY CA C 33 46.390 46.390 45.756 0.634 18375 770 1 2 . 1 1 33 33 GLY H H 33 8.580 8.580 8.385 0.195 18375 771 1 2 . 1 1 34 34 ASN N N 34 118.870 118.870 120.627 -1.757 18375 772 1 2 . 1 1 34 34 ASN HA H 34 4.720 4.720 5.396 -0.676 18375 773 1 2 . 1 1 34 34 ASN C C 34 175.710 175.710 176.495 -0.785 18375 774 1 2 . 1 1 34 34 ASN CA C 34 54.630 54.630 51.741 2.889 18375 775 1 2 . 1 1 34 34 ASN CB C 34 40.050 40.050 40.611 -0.562 18375 776 1 2 . 1 1 34 34 ASN H H 34 8.780 8.780 8.480 0.300 18375 777 1 2 . 1 1 35 35 ALA N N 35 121.960 121.960 120.944 1.016 18375 778 1 2 . 1 1 35 35 ALA HA H 35 2.920 2.920 3.631 -0.711 18375 779 1 2 . 1 1 35 35 ALA C C 35 169.710 169.710 178.949 -9.239 18375 780 1 2 . 1 1 35 35 ALA CA C 35 55.950 55.950 54.645 1.305 18375 781 1 2 . 1 1 35 35 ALA CB C 35 20.460 20.460 18.268 2.192 18375 782 1 2 . 1 1 35 35 ALA H H 35 8.750 8.750 8.857 -0.107 18375 783 1 2 . 1 1 36 36 ASN N N 36 114.940 114.940 115.098 -0.158 18375 784 1 2 . 1 1 36 36 ASN HA H 36 4.170 4.170 4.644 -0.474 18375 785 1 2 . 1 1 36 36 ASN C C 36 175.200 175.200 175.773 -0.573 18375 786 1 2 . 1 1 36 36 ASN CA C 36 55.930 55.930 55.123 0.806 18375 787 1 2 . 1 1 36 36 ASN CB C 36 36.690 36.690 39.334 -2.644 18375 788 1 2 . 1 1 36 36 ASN H H 36 8.410 8.410 8.838 -0.428 18375 789 1 2 . 1 1 37 37 ASN N N 37 120.180 120.180 118.248 1.932 18375 790 1 2 . 1 1 37 37 ASN HA H 37 5.060 5.060 4.874 0.186 18375 791 1 2 . 1 1 37 37 ASN C C 37 176.530 176.530 176.761 -0.231 18375 792 1 2 . 1 1 37 37 ASN CA C 37 54.250 54.250 53.684 0.566 18375 793 1 2 . 1 1 37 37 ASN CB C 37 41.720 41.720 38.932 2.788 18375 794 1 2 . 1 1 37 37 ASN H H 37 8.850 8.850 7.888 0.962 18375 795 1 2 . 1 1 38 38 TRP N N 38 118.410 118.410 122.364 -3.954 18375 796 1 2 . 1 1 38 38 TRP HA H 38 4.190 4.190 4.269 -0.079 18375 797 1 2 . 1 1 38 38 TRP C C 38 177.390 177.390 178.261 -0.871 18375 798 1 2 . 1 1 38 38 TRP CA C 38 63.450 63.450 62.317 1.133 18375 799 1 2 . 1 1 38 38 TRP CB C 38 29.680 29.680 28.793 0.887 18375 800 1 2 . 1 1 38 38 TRP H H 38 8.240 8.240 7.643 0.597 18375 801 1 2 . 1 1 39 39 ALA N N 39 118.400 118.400 119.718 -1.318 18375 802 1 2 . 1 1 39 39 ALA HA H 39 3.770 3.770 3.974 -0.204 18375 803 1 2 . 1 1 39 39 ALA C C 39 178.580 178.580 179.488 -0.908 18375 804 1 2 . 1 1 39 39 ALA CA C 39 56.760 56.760 55.654 1.106 18375 805 1 2 . 1 1 39 39 ALA CB C 39 18.020 18.020 17.610 0.409 18375 806 1 2 . 1 1 39 39 ALA H H 39 7.150 7.150 8.826 -1.676 18375 807 1 2 . 1 1 40 40 ALA N N 40 121.830 121.830 121.404 0.426 18375 808 1 2 . 1 1 40 40 ALA HA H 40 3.990 3.990 4.031 -0.041 18375 809 1 2 . 1 1 40 40 ALA C C 40 171.320 171.320 179.392 -8.072 18375 810 1 2 . 1 1 40 40 ALA CA C 40 55.610 55.610 54.699 0.911 18375 811 1 2 . 1 1 40 40 ALA CB C 40 18.840 18.840 18.341 0.499 18375 812 1 2 . 1 1 40 40 ALA H H 40 8.060 8.060 8.150 -0.090 18375 813 1 2 . 1 1 41 41 ALA N N 41 122.200 122.200 120.156 2.044 18375 814 1 2 . 1 1 41 41 ALA HA H 41 3.630 3.630 3.961 -0.331 18375 815 1 2 . 1 1 41 41 ALA C C 41 170.110 170.110 179.225 -9.115 18375 816 1 2 . 1 1 41 41 ALA CA C 41 55.240 55.240 54.617 0.623 18375 817 1 2 . 1 1 41 41 ALA CB C 41 18.020 18.020 18.768 -0.748 18375 818 1 2 . 1 1 41 41 ALA H H 41 8.250 8.250 8.098 0.152 18375 819 1 2 . 1 1 42 42 ALA N N 42 119.600 119.600 121.196 -1.596 18375 820 1 2 . 1 1 42 42 ALA HA H 42 3.270 3.270 3.269 0.001 18375 821 1 2 . 1 1 42 42 ALA C C 42 170.160 170.160 179.182 -9.022 18375 822 1 2 . 1 1 42 42 ALA CA C 42 55.480 55.480 54.571 0.909 18375 823 1 2 . 1 1 42 42 ALA CB C 42 19.890 19.890 18.361 1.529 18375 824 1 2 . 1 1 42 42 ALA H H 42 7.710 7.710 8.520 -0.810 18375 825 1 2 . 1 1 43 43 GLN N N 43 118.750 118.750 118.430 0.320 18375 826 1 2 . 1 1 43 43 GLN HA H 43 4.340 4.340 4.003 0.337 18375 827 1 2 . 1 1 43 43 GLN C C 43 170.980 170.980 179.370 -8.390 18375 828 1 2 . 1 1 43 43 GLN CA C 43 60.200 60.200 58.310 1.890 18375 829 1 2 . 1 1 43 43 GLN CB C 43 29.710 29.710 28.859 0.851 18375 830 1 2 . 1 1 43 43 GLN H H 43 7.880 7.880 8.379 -0.499 18375 831 1 2 . 1 1 44 44 GLY N N 44 125.760 125.760 105.799 19.961 18375 832 1 2 . 1 1 44 44 GLY C C 44 174.300 174.300 174.089 0.211 18375 833 1 2 . 1 1 44 44 GLY CA C 44 47.660 47.660 45.598 2.062 18375 834 1 2 . 1 1 44 44 GLY H H 44 8.010 8.010 7.880 0.130 18375 835 1 2 . 1 1 45 45 ALA N N 45 121.480 121.480 122.190 -0.710 18375 836 1 2 . 1 1 45 45 ALA HA H 45 4.620 4.620 4.217 0.403 18375 837 1 2 . 1 1 45 45 ALA C C 45 177.190 177.190 177.387 -0.197 18375 838 1 2 . 1 1 45 45 ALA CA C 45 52.680 52.680 51.584 1.096 18375 839 1 2 . 1 1 45 45 ALA CB C 45 20.560 20.560 19.354 1.206 18375 840 1 2 . 1 1 45 45 ALA H H 45 7.540 7.540 7.114 0.426 18375 841 1 2 . 1 1 46 46 GLY N N 46 123.690 123.690 106.648 17.042 18375 842 1 2 . 1 1 46 46 GLY C C 46 174.980 174.980 174.263 0.717 18375 843 1 2 . 1 1 46 46 GLY CA C 46 46.540 46.540 44.660 1.880 18375 844 1 2 . 1 1 46 46 GLY H H 46 7.680 7.680 7.324 0.356 18375 845 1 2 . 1 1 47 47 PHE N N 47 119.960 119.960 119.640 0.320 18375 846 1 2 . 1 1 47 47 PHE HA H 47 4.620 4.620 4.753 -0.133 18375 847 1 2 . 1 1 47 47 PHE C C 47 176.120 176.120 176.237 -0.117 18375 848 1 2 . 1 1 47 47 PHE CA C 47 59.000 59.000 54.445 4.555 18375 849 1 2 . 1 1 47 47 PHE CB C 47 40.350 40.350 39.490 0.860 18375 850 1 2 . 1 1 47 47 PHE H H 47 8.280 8.280 7.618 0.662 18375 851 1 2 . 1 1 48 48 THR N N 48 120.680 120.680 120.462 0.218 18375 852 1 2 . 1 1 48 48 THR HA H 48 4.190 4.190 4.288 -0.098 18375 853 1 2 . 1 1 48 48 THR C C 48 173.000 173.000 173.159 -0.159 18375 854 1 2 . 1 1 48 48 THR CA C 48 65.150 65.150 62.142 3.009 18375 855 1 2 . 1 1 48 48 THR CB C 48 70.530 70.530 68.191 2.339 18375 856 1 2 . 1 1 48 48 THR H H 48 9.260 9.260 8.819 0.441 18375 857 1 2 . 1 1 49 49 VAL N N 49 111.320 111.320 129.557 -18.237 18375 858 1 2 . 1 1 49 49 VAL HA H 49 5.380 5.380 4.669 0.711 18375 859 1 2 . 1 1 49 49 VAL C C 49 175.570 175.570 175.450 0.120 18375 860 1 2 . 1 1 49 49 VAL CA C 49 61.510 61.510 61.916 -0.406 18375 861 1 2 . 1 1 49 49 VAL CB C 49 34.960 34.960 31.853 3.107 18375 862 1 2 . 1 1 49 49 VAL H H 49 8.560 8.560 8.512 0.048 18375 863 1 2 . 1 1 50 50 ASN N N 50 125.000 125.000 126.741 -1.741 18375 864 1 2 . 1 1 50 50 ASN HA H 50 4.800 4.800 5.174 -0.374 18375 865 1 2 . 1 1 50 50 ASN C C 50 174.270 174.270 174.042 0.228 18375 866 1 2 . 1 1 50 50 ASN CA C 50 53.430 53.430 52.075 1.355 18375 867 1 2 . 1 1 50 50 ASN CB C 50 39.100 39.100 41.231 -2.131 18375 868 1 2 . 1 1 50 50 ASN H H 50 9.010 9.010 8.319 0.691 18375 869 1 2 . 1 1 51 51 HIS N N 51 114.650 114.650 115.173 -0.523 18375 870 1 2 . 1 1 51 51 HIS HA H 51 5.760 5.760 5.084 0.676 18375 871 1 2 . 1 1 51 51 HIS C C 51 174.060 174.060 173.097 0.963 18375 872 1 2 . 1 1 51 51 HIS CA C 51 56.360 56.360 55.928 0.432 18375 873 1 2 . 1 1 51 51 HIS CB C 51 29.980 29.980 30.103 -0.123 18375 874 1 2 . 1 1 51 51 HIS H H 51 8.550 8.550 8.765 -0.215 18375 875 1 2 . 1 1 52 52 THR N N 52 119.910 119.910 117.182 2.728 18375 876 1 2 . 1 1 52 52 THR HA H 52 4.600 4.600 4.422 0.178 18375 877 1 2 . 1 1 52 52 THR CA C 52 60.140 60.140 60.355 -0.215 18375 878 1 2 . 1 1 52 52 THR CB C 52 71.890 71.890 70.680 1.210 18375 879 1 2 . 1 1 52 52 THR H H 52 8.500 8.500 7.376 1.124 18375 880 1 2 . 1 1 53 53 PRO HA H 53 2.920 2.920 4.186 -1.266 18375 881 1 2 . 1 1 53 53 PRO C C 53 175.410 175.410 176.322 -0.912 18375 882 1 2 . 1 1 53 53 PRO CA C 53 62.460 62.460 62.593 -0.133 18375 883 1 2 . 1 1 53 53 PRO CB C 53 33.410 33.410 32.120 1.290 18375 884 1 2 . 1 1 54 54 SER N N 54 108.990 108.990 116.569 -7.579 18375 885 1 2 . 1 1 54 54 SER HA H 54 4.300 4.300 4.539 -0.239 18375 886 1 2 . 1 1 54 54 SER C C 54 172.380 172.380 173.167 -0.787 18375 887 1 2 . 1 1 54 54 SER CA C 54 58.270 58.270 57.261 1.009 18375 888 1 2 . 1 1 54 54 SER CB C 54 66.620 66.620 66.285 0.335 18375 889 1 2 . 1 1 54 54 SER H H 54 6.000 6.000 8.441 -2.441 18375 890 1 2 . 1 1 55 55 LYS N N 55 124.470 124.470 125.192 -0.722 18375 891 1 2 . 1 1 55 55 LYS HA H 55 3.500 3.500 3.859 -0.359 18375 892 1 2 . 1 1 55 55 LYS C C 55 177.150 177.150 177.637 -0.487 18375 893 1 2 . 1 1 55 55 LYS CA C 55 59.850 59.850 57.693 2.157 18375 894 1 2 . 1 1 55 55 LYS CB C 55 33.010 33.010 31.859 1.151 18375 895 1 2 . 1 1 55 55 LYS H H 55 8.860 8.860 8.793 0.067 18375 896 1 2 . 1 1 56 56 GLY N N 56 116.710 116.710 113.898 2.812 18375 897 1 2 . 1 1 56 56 GLY C C 56 173.430 173.430 173.368 0.062 18375 898 1 2 . 1 1 56 56 GLY CA C 56 45.600 45.600 44.742 0.858 18375 899 1 2 . 1 1 56 56 GLY H H 56 8.950 8.950 8.730 0.220 18375 900 1 2 . 1 1 57 57 ALA N N 57 118.940 118.940 122.192 -3.252 18375 901 1 2 . 1 1 57 57 ALA HA H 57 4.630 4.630 4.930 -0.300 18375 902 1 2 . 1 1 57 57 ALA C C 57 174.570 174.570 175.319 -0.749 18375 903 1 2 . 1 1 57 57 ALA CA C 57 51.840 51.840 50.174 1.666 18375 904 1 2 . 1 1 57 57 ALA CB C 57 20.960 20.960 21.360 -0.400 18375 905 1 2 . 1 1 57 57 ALA H H 57 7.420 7.420 7.919 -0.499 18375 906 1 2 . 1 1 58 58 ILE N N 58 117.340 117.340 115.813 1.527 18375 907 1 2 . 1 1 58 58 ILE HA H 58 4.720 4.720 4.934 -0.214 18375 908 1 2 . 1 1 58 58 ILE C C 58 176.920 176.920 174.444 2.476 18375 909 1 2 . 1 1 58 58 ILE CA C 58 60.910 60.910 58.677 2.233 18375 910 1 2 . 1 1 58 58 ILE CB C 58 41.820 41.820 41.936 -0.116 18375 911 1 2 . 1 1 58 58 ILE H H 58 8.350 8.350 8.465 -0.115 18375 912 1 2 . 1 1 59 59 LEU N N 59 112.330 112.330 121.304 -8.974 18375 913 1 2 . 1 1 59 59 LEU HA H 59 4.220 4.220 4.992 -0.772 18375 914 1 2 . 1 1 59 59 LEU C C 59 174.530 174.530 174.335 0.195 18375 915 1 2 . 1 1 59 59 LEU CA C 59 56.430 56.430 54.344 2.086 18375 916 1 2 . 1 1 59 59 LEU CB C 59 44.160 44.160 45.630 -1.470 18375 917 1 2 . 1 1 59 59 LEU H H 59 8.430 8.430 8.095 0.335 18375 918 1 2 . 1 1 60 60 GLN N N 60 111.170 111.170 126.576 -15.406 18375 919 1 2 . 1 1 60 60 GLN HA H 60 4.970 4.970 5.574 -0.604 18375 920 1 2 . 1 1 60 60 GLN C C 60 172.980 172.980 173.939 -0.959 18375 921 1 2 . 1 1 60 60 GLN CA C 60 56.720 56.720 53.839 2.881 18375 922 1 2 . 1 1 60 60 GLN CB C 60 30.950 30.950 33.669 -2.719 18375 923 1 2 . 1 1 60 60 GLN H H 60 9.490 9.490 9.314 0.176 18375 924 1 2 . 1 1 61 61 SER N N 61 118.550 118.550 119.476 -0.926 18375 925 1 2 . 1 1 61 61 SER HA H 61 4.940 4.940 4.923 0.017 18375 926 1 2 . 1 1 61 61 SER C C 61 174.370 174.370 174.110 0.260 18375 927 1 2 . 1 1 61 61 SER CA C 61 56.570 56.570 56.651 -0.081 18375 928 1 2 . 1 1 61 61 SER CB C 61 67.130 67.130 64.909 2.221 18375 929 1 2 . 1 1 61 61 SER H H 61 8.800 8.800 8.755 0.045 18375 930 1 2 . 1 1 62 62 SER N N 62 120.910 120.910 121.822 -0.912 18375 931 1 2 . 1 1 62 62 SER HA H 62 4.540 4.540 4.707 -0.167 18375 932 1 2 . 1 1 62 62 SER C C 62 173.560 173.560 174.880 -1.320 18375 933 1 2 . 1 1 62 62 SER CA C 62 59.270 59.270 58.578 0.692 18375 934 1 2 . 1 1 62 62 SER CB C 62 64.390 64.390 63.704 0.686 18375 935 1 2 . 1 1 62 62 SER H H 62 8.900 8.900 8.851 0.049 18375 936 1 2 . 1 1 63 63 GLU N N 63 121.810 121.810 121.124 0.686 18375 937 1 2 . 1 1 63 63 GLU HA H 63 4.220 4.220 4.389 -0.169 18375 938 1 2 . 1 1 63 63 GLU C C 63 176.030 176.030 176.288 -0.258 18375 939 1 2 . 1 1 63 63 GLU CA C 63 57.840 57.840 56.366 1.474 18375 940 1 2 . 1 1 63 63 GLU CB C 63 32.170 32.170 29.527 2.643 18375 941 1 2 . 1 1 63 63 GLU H H 63 8.040 8.040 7.703 0.337 18375 942 1 2 . 1 1 64 64 GLY N N 64 125.900 125.900 107.422 18.478 18375 943 1 2 . 1 1 64 64 GLY CA C 64 45.490 45.490 42.601 2.889 18375 944 1 2 . 1 1 64 64 GLY H H 64 8.200 8.200 7.286 0.914 18375 945 1 2 . 1 1 65 65 PRO HA H 65 4.040 4.040 4.220 -0.180 18375 946 1 2 . 1 1 65 65 PRO C C 65 177.870 177.870 176.334 1.536 18375 947 1 2 . 1 1 65 65 PRO CA C 65 65.610 65.610 64.832 0.778 18375 948 1 2 . 1 1 65 65 PRO CB C 65 32.160 32.160 31.957 0.203 18375 949 1 2 . 1 1 66 66 PHE N N 66 112.970 112.970 116.732 -3.762 18375 950 1 2 . 1 1 66 66 PHE HA H 66 4.920 4.920 4.847 0.073 18375 951 1 2 . 1 1 66 66 PHE C C 66 176.190 176.190 175.603 0.587 18375 952 1 2 . 1 1 66 66 PHE CA C 66 57.420 57.420 57.026 0.394 18375 953 1 2 . 1 1 66 66 PHE CB C 66 42.360 42.360 39.786 2.574 18375 954 1 2 . 1 1 66 66 PHE H H 66 8.490 8.490 8.063 0.427 18375 955 1 2 . 1 1 67 67 GLY N N 67 124.370 124.370 108.426 15.944 18375 956 1 2 . 1 1 67 67 GLY C C 67 172.480 172.480 172.648 -0.168 18375 957 1 2 . 1 1 67 67 GLY CA C 67 46.860 46.860 45.154 1.706 18375 958 1 2 . 1 1 67 67 GLY H H 67 6.940 6.940 7.672 -0.732 18375 959 1 2 . 1 1 68 68 HIS N N 68 117.820 117.820 118.962 -1.142 18375 960 1 2 . 1 1 68 68 HIS HA H 68 5.020 5.020 4.748 0.272 18375 961 1 2 . 1 1 68 68 HIS C C 68 173.790 173.790 172.683 1.107 18375 962 1 2 . 1 1 68 68 HIS CA C 68 58.230 58.230 55.736 2.494 18375 963 1 2 . 1 1 68 68 HIS CB C 68 36.120 36.120 31.923 4.197 18375 964 1 2 . 1 1 68 68 HIS H H 68 8.590 8.590 8.194 0.396 18375 965 1 2 . 1 1 69 69 VAL N N 69 116.830 116.830 122.347 -5.517 18375 966 1 2 . 1 1 69 69 VAL HA H 69 5.320 5.320 5.223 0.097 18375 967 1 2 . 1 1 69 69 VAL C C 69 173.060 173.060 173.652 -0.592 18375 968 1 2 . 1 1 69 69 VAL CA C 69 58.940 58.940 58.914 0.026 18375 969 1 2 . 1 1 69 69 VAL CB C 69 37.700 37.700 33.831 3.869 18375 970 1 2 . 1 1 69 69 VAL H H 69 6.040 6.040 7.721 -1.681 18375 971 1 2 . 1 1 70 70 ALA N N 70 120.820 120.820 128.445 -7.625 18375 972 1 2 . 1 1 70 70 ALA HA H 70 4.510 4.510 4.594 -0.084 18375 973 1 2 . 1 1 70 70 ALA C C 70 173.870 173.870 175.328 -1.458 18375 974 1 2 . 1 1 70 70 ALA CA C 70 51.560 51.560 50.657 0.903 18375 975 1 2 . 1 1 70 70 ALA CB C 70 26.390 26.390 22.055 4.335 18375 976 1 2 . 1 1 70 70 ALA H H 70 8.890 8.890 8.539 0.351 18375 977 1 2 . 1 1 71 71 TYR N N 71 121.640 121.640 125.476 -3.836 18375 978 1 2 . 1 1 71 71 TYR HA H 71 4.890 4.890 4.426 0.464 18375 979 1 2 . 1 1 71 71 TYR C C 71 174.620 174.620 174.294 0.326 18375 980 1 2 . 1 1 71 71 TYR CA C 71 58.140 58.140 58.585 -0.445 18375 981 1 2 . 1 1 71 71 TYR CB C 71 42.850 42.850 39.441 3.409 18375 982 1 2 . 1 1 71 71 TYR H H 71 9.310 9.310 8.145 1.165 18375 983 1 2 . 1 1 72 72 VAL N N 72 126.010 126.010 127.710 -1.700 18375 984 1 2 . 1 1 72 72 VAL HA H 72 3.880 3.880 3.813 0.067 18375 985 1 2 . 1 1 72 72 VAL C C 72 174.250 174.250 175.200 -0.950 18375 986 1 2 . 1 1 72 72 VAL CA C 72 64.970 64.970 62.342 2.628 18375 987 1 2 . 1 1 72 72 VAL CB C 72 31.470 31.470 31.511 -0.041 18375 988 1 2 . 1 1 72 72 VAL H H 72 8.230 8.230 8.510 -0.280 18375 989 1 2 . 1 1 73 73 GLU N N 73 112.690 112.690 127.869 -15.179 18375 990 1 2 . 1 1 73 73 GLU HA H 73 4.250 4.250 4.262 -0.012 18375 991 1 2 . 1 1 73 73 GLU C C 73 178.020 178.020 176.390 1.630 18375 992 1 2 . 1 1 73 73 GLU CA C 73 58.400 58.400 57.984 0.416 18375 993 1 2 . 1 1 73 73 GLU CB C 73 31.050 31.050 31.454 -0.404 18375 994 1 2 . 1 1 73 73 GLU H H 73 8.820 8.820 8.495 0.325 18375 995 1 2 . 1 1 74 74 SER N N 74 125.880 125.880 112.389 13.491 18375 996 1 2 . 1 1 74 74 SER HA H 74 4.330 4.330 4.634 -0.304 18375 997 1 2 . 1 1 74 74 SER C C 74 172.030 172.030 172.042 -0.012 18375 998 1 2 . 1 1 74 74 SER CA C 74 59.220 59.220 58.228 0.992 18375 999 1 2 . 1 1 74 74 SER CB C 74 65.620 65.620 66.405 -0.785 18375 1000 1 2 . 1 1 74 74 SER H H 74 7.900 7.900 7.668 0.232 18375 1001 1 2 . 1 1 75 75 VAL N N 75 122.760 122.760 123.142 -0.382 18375 1002 1 2 . 1 1 75 75 VAL HA H 75 4.320 4.320 4.089 0.231 18375 1003 1 2 . 1 1 75 75 VAL C C 75 176.270 176.270 175.392 0.878 18375 1004 1 2 . 1 1 75 75 VAL CA C 75 63.380 63.380 61.444 1.937 18375 1005 1 2 . 1 1 75 75 VAL CB C 75 32.750 32.750 32.264 0.486 18375 1006 1 2 . 1 1 75 75 VAL H H 75 8.400 8.400 8.429 -0.029 18375 1007 1 2 . 1 1 76 76 ASN N N 76 125.270 125.270 126.656 -1.386 18375 1008 1 2 . 1 1 76 76 ASN HA H 76 4.790 4.790 4.656 0.134 18375 1009 1 2 . 1 1 76 76 ASN CA C 76 54.260 54.260 53.254 1.006 18375 1010 1 2 . 1 1 76 76 ASN CB C 76 39.960 39.960 39.172 0.788 18375 1011 1 2 . 1 1 76 76 ASN H H 76 9.080 9.080 8.851 0.229 18375 1012 1 2 . 1 1 77 77 SER HA H 77 4.130 4.130 4.216 -0.086 18375 1013 1 2 . 1 1 77 77 SER C C 77 174.410 174.410 174.610 -0.200 18375 1014 1 2 . 1 1 77 77 SER CA C 77 62.670 62.670 60.639 2.031 18375 1015 1 2 . 1 1 77 77 SER CB C 77 63.600 63.600 63.349 0.251 18375 1016 1 2 . 1 1 78 78 ASP N N 78 118.590 118.590 117.105 1.485 18375 1017 1 2 . 1 1 78 78 ASP HA H 78 4.580 4.580 4.549 0.031 18375 1018 1 2 . 1 1 78 78 ASP C C 78 176.790 176.790 177.065 -0.275 18375 1019 1 2 . 1 1 78 78 ASP CA C 78 53.960 53.960 54.199 -0.239 18375 1020 1 2 . 1 1 78 78 ASP CB C 78 40.880 40.880 40.974 -0.094 18375 1021 1 2 . 1 1 78 78 ASP H H 78 7.980 7.980 8.252 -0.272 18375 1022 1 2 . 1 1 79 79 GLY N N 79 109.220 109.220 108.045 1.175 18375 1023 1 2 . 1 1 79 79 GLY C C 79 173.470 173.470 173.880 -0.410 18375 1024 1 2 . 1 1 79 79 GLY CA C 79 46.050 46.050 44.720 1.330 18375 1025 1 2 . 1 1 79 79 GLY H H 79 8.180 8.180 7.845 0.335 18375 1026 1 2 . 1 1 80 80 SER N N 80 114.200 114.200 118.367 -4.167 18375 1027 1 2 . 1 1 80 80 SER HA H 80 4.350 4.350 4.534 -0.184 18375 1028 1 2 . 1 1 80 80 SER C C 80 172.630 172.630 174.159 -1.529 18375 1029 1 2 . 1 1 80 80 SER CA C 80 59.580 59.580 58.973 0.607 18375 1030 1 2 . 1 1 80 80 SER CB C 80 65.710 65.710 64.656 1.054 18375 1031 1 2 . 1 1 80 80 SER H H 80 7.930 7.930 7.961 -0.031 18375 1032 1 2 . 1 1 81 81 VAL N N 81 118.060 118.060 123.612 -5.552 18375 1033 1 2 . 1 1 81 81 VAL HA H 81 4.690 4.690 4.373 0.317 18375 1034 1 2 . 1 1 81 81 VAL C C 81 175.220 175.220 175.642 -0.422 18375 1035 1 2 . 1 1 81 81 VAL CA C 81 61.980 61.980 61.041 0.939 18375 1036 1 2 . 1 1 81 81 VAL CB C 81 36.810 36.810 33.930 2.880 18375 1037 1 2 . 1 1 81 81 VAL H H 81 8.820 8.820 9.107 -0.287 18375 1038 1 2 . 1 1 82 82 THR N N 82 125.170 125.170 124.317 0.853 18375 1039 1 2 . 1 1 82 82 THR HA H 82 5.190 5.190 4.822 0.368 18375 1040 1 2 . 1 1 82 82 THR C C 82 174.150 174.150 174.157 -0.007 18375 1041 1 2 . 1 1 82 82 THR CA C 82 63.440 63.440 62.665 0.775 18375 1042 1 2 . 1 1 82 82 THR CB C 82 70.520 70.520 68.348 2.172 18375 1043 1 2 . 1 1 82 82 THR H H 82 9.020 9.020 8.929 0.091 18375 1044 1 2 . 1 1 83 83 ILE N N 83 120.970 120.970 123.423 -2.453 18375 1045 1 2 . 1 1 83 83 ILE HA H 83 5.640 5.640 4.936 0.704 18375 1046 1 2 . 1 1 83 83 ILE C C 83 175.030 175.030 173.845 1.185 18375 1047 1 2 . 1 1 83 83 ILE CA C 83 59.440 59.440 58.855 0.585 18375 1048 1 2 . 1 1 83 83 ILE CB C 83 42.170 42.170 41.004 1.166 18375 1049 1 2 . 1 1 83 83 ILE H H 83 9.280 9.280 8.535 0.745 18375 1050 1 2 . 1 1 84 84 SER N N 84 115.430 115.430 117.246 -1.816 18375 1051 1 2 . 1 1 84 84 SER HA H 84 5.590 5.590 5.173 0.417 18375 1052 1 2 . 1 1 84 84 SER C C 84 173.130 173.130 173.581 -0.451 18375 1053 1 2 . 1 1 84 84 SER CA C 84 58.050 58.050 57.186 0.864 18375 1054 1 2 . 1 1 84 84 SER CB C 84 67.140 67.140 64.558 2.582 18375 1055 1 2 . 1 1 84 84 SER H H 84 9.600 9.600 9.124 0.476 18375 1056 1 2 . 1 1 85 85 GLU N N 85 117.660 117.660 126.779 -9.119 18375 1057 1 2 . 1 1 85 85 GLU HA H 85 5.180 5.180 4.992 0.188 18375 1058 1 2 . 1 1 85 85 GLU C C 85 171.780 171.780 174.764 -2.984 18375 1059 1 2 . 1 1 85 85 GLU CA C 85 54.880 54.880 54.567 0.313 18375 1060 1 2 . 1 1 85 85 GLU CB C 85 33.540 33.540 31.346 2.194 18375 1061 1 2 . 1 1 85 85 GLU H H 85 8.800 8.800 8.463 0.337 18375 1062 1 2 . 1 1 86 86 MET N N 86 118.950 118.950 127.898 -8.948 18375 1063 1 2 . 1 1 86 86 MET HA H 86 5.250 5.250 4.198 1.052 18375 1064 1 2 . 1 1 86 86 MET C C 86 175.010 175.010 176.094 -1.084 18375 1065 1 2 . 1 1 86 86 MET CA C 86 53.880 53.880 56.981 -3.101 18375 1066 1 2 . 1 1 86 86 MET CB C 86 38.240 38.240 32.767 5.473 18375 1067 1 2 . 1 1 86 86 MET H H 86 8.490 8.490 8.989 -0.499 18375 1068 1 2 . 1 1 87 87 ASN N N 87 116.670 116.670 125.934 -9.264 18375 1069 1 2 . 1 1 87 87 ASN HA H 87 4.190 4.190 4.332 -0.142 18375 1070 1 2 . 1 1 87 87 ASN C C 87 174.810 174.810 176.320 -1.510 18375 1071 1 2 . 1 1 87 87 ASN CA C 87 54.520 54.520 56.189 -1.669 18375 1072 1 2 . 1 1 87 87 ASN CB C 87 39.330 39.330 37.070 2.260 18375 1073 1 2 . 1 1 87 87 ASN H H 87 8.250 8.250 9.151 -0.901 18375 1074 1 2 . 1 1 88 88 TYR N N 88 119.600 119.600 118.903 0.697 18375 1075 1 2 . 1 1 88 88 TYR HA H 88 4.290 4.290 3.992 0.298 18375 1076 1 2 . 1 1 88 88 TYR C C 88 175.620 175.620 175.794 -0.174 18375 1077 1 2 . 1 1 88 88 TYR CA C 88 60.720 60.720 60.950 -0.230 18375 1078 1 2 . 1 1 88 88 TYR CB C 88 41.430 41.430 37.034 4.396 18375 1079 1 2 . 1 1 88 88 TYR H H 88 8.940 8.940 8.304 0.636 18375 1080 1 2 . 1 1 89 89 SER N N 89 113.120 113.120 116.784 -3.664 18375 1081 1 2 . 1 1 89 89 SER HA H 89 4.320 4.320 4.025 0.295 18375 1082 1 2 . 1 1 89 89 SER C C 89 174.860 174.860 175.035 -0.175 18375 1083 1 2 . 1 1 89 89 SER CA C 89 58.690 58.690 58.306 0.384 18375 1084 1 2 . 1 1 89 89 SER CB C 89 65.140 65.140 63.319 1.821 18375 1085 1 2 . 1 1 89 89 SER H H 89 8.060 8.060 8.454 -0.394 18375 1086 1 2 . 1 1 90 90 GLY N N 90 110.450 110.450 108.521 1.929 18375 1087 1 2 . 1 1 90 90 GLY C C 90 174.680 174.680 174.046 0.634 18375 1088 1 2 . 1 1 90 90 GLY CA C 90 45.950 45.950 44.724 1.226 18375 1089 1 2 . 1 1 90 90 GLY H H 90 8.180 8.180 8.135 0.045 18375 1090 1 2 . 1 1 91 91 GLY N N 91 108.710 108.710 109.189 -0.479 18375 1091 1 2 . 1 1 91 91 GLY CA C 91 45.880 45.880 42.376 3.504 18375 1092 1 2 . 1 1 91 91 GLY H H 91 8.330 8.330 7.750 0.580 18375 1093 1 2 . 1 1 92 92 PRO HA H 92 4.040 4.040 4.246 -0.206 18375 1094 1 2 . 1 1 92 92 PRO C C 92 177.930 177.930 176.381 1.549 18375 1095 1 2 . 1 1 92 92 PRO CA C 92 64.710 64.710 63.682 1.028 18375 1096 1 2 . 1 1 92 92 PRO CB C 92 32.690 32.690 31.808 0.882 18375 1097 1 2 . 1 1 93 93 PHE N N 93 113.220 113.220 118.529 -5.309 18375 1098 1 2 . 1 1 93 93 PHE HA H 93 4.480 4.480 4.129 0.351 18375 1099 1 2 . 1 1 93 93 PHE C C 93 174.490 174.490 175.842 -1.352 18375 1100 1 2 . 1 1 93 93 PHE CA C 93 62.890 62.890 58.926 3.964 18375 1101 1 2 . 1 1 93 93 PHE CB C 93 37.410 37.410 36.906 0.504 18375 1102 1 2 . 1 1 93 93 PHE H H 93 8.350 8.350 7.999 0.351 18375 1103 1 2 . 1 1 94 94 SER N N 94 115.680 115.680 118.277 -2.597 18375 1104 1 2 . 1 1 94 94 SER HA H 94 4.620 4.620 4.410 0.210 18375 1105 1 2 . 1 1 94 94 SER C C 94 174.290 174.290 174.881 -0.591 18375 1106 1 2 . 1 1 94 94 SER CA C 94 59.150 59.150 59.514 -0.364 18375 1107 1 2 . 1 1 94 94 SER CB C 94 64.690 64.690 62.913 1.777 18375 1108 1 2 . 1 1 94 94 SER H H 94 7.980 7.980 8.022 -0.042 18375 1109 1 2 . 1 1 95 95 VAL N N 95 112.520 112.520 126.882 -14.362 18375 1110 1 2 . 1 1 95 95 VAL HA H 95 4.830 4.830 3.872 0.958 18375 1111 1 2 . 1 1 95 95 VAL C C 95 175.770 175.770 174.626 1.144 18375 1112 1 2 . 1 1 95 95 VAL CA C 95 62.520 62.520 61.542 0.978 18375 1113 1 2 . 1 1 95 95 VAL CB C 95 34.010 34.010 31.073 2.937 18375 1114 1 2 . 1 1 95 95 VAL H H 95 8.840 8.840 8.034 0.806 18375 1115 1 2 . 1 1 96 96 SER N N 96 122.260 122.260 124.296 -2.036 18375 1116 1 2 . 1 1 96 96 SER HA H 96 4.810 4.810 4.398 0.412 18375 1117 1 2 . 1 1 96 96 SER C C 96 172.250 172.250 174.334 -2.084 18375 1118 1 2 . 1 1 96 96 SER CA C 96 58.080 58.080 58.559 -0.479 18375 1119 1 2 . 1 1 96 96 SER CB C 96 66.590 66.590 63.027 3.563 18375 1120 1 2 . 1 1 96 96 SER H H 96 9.190 9.190 8.899 0.291 18375 1121 1 2 . 1 1 97 97 SER N N 97 112.810 112.810 124.781 -11.971 18375 1122 1 2 . 1 1 97 97 SER HA H 97 5.620 5.620 4.957 0.662 18375 1123 1 2 . 1 1 97 97 SER C C 97 174.130 174.130 174.100 0.030 18375 1124 1 2 . 1 1 97 97 SER CA C 97 57.260 57.260 57.496 -0.236 18375 1125 1 2 . 1 1 97 97 SER CB C 97 66.740 66.740 62.293 4.447 18375 1126 1 2 . 1 1 97 97 SER H H 97 8.290 8.290 8.340 -0.050 18375 1127 1 2 . 1 1 98 98 ARG N N 98 122.640 122.640 124.691 -2.051 18375 1128 1 2 . 1 1 98 98 ARG HA H 98 4.650 4.650 4.578 0.072 18375 1129 1 2 . 1 1 98 98 ARG C C 98 174.030 174.030 174.556 -0.526 18375 1130 1 2 . 1 1 98 98 ARG CA C 98 56.640 56.640 55.351 1.289 18375 1131 1 2 . 1 1 98 98 ARG CB C 98 36.240 36.240 32.781 3.459 18375 1132 1 2 . 1 1 98 98 ARG H H 98 8.380 8.380 7.577 0.803 18375 1133 1 2 . 1 1 99 99 THR N N 99 118.220 118.220 120.095 -1.875 18375 1134 1 2 . 1 1 99 99 THR HA H 99 5.280 5.280 5.103 0.177 18375 1135 1 2 . 1 1 99 99 THR C C 99 173.930 173.930 174.086 -0.156 18375 1136 1 2 . 1 1 99 99 THR CA C 99 62.820 62.820 61.932 0.888 18375 1137 1 2 . 1 1 99 99 THR CB C 99 71.360 71.360 69.454 1.906 18375 1138 1 2 . 1 1 99 99 THR H H 99 8.650 8.650 8.452 0.198 18375 1139 1 2 . 1 1 100 100 ILE N N 100 112.130 112.130 129.577 -17.447 18375 1140 1 2 . 1 1 100 100 ILE HA H 100 4.290 4.290 4.209 0.081 18375 1141 1 2 . 1 1 100 100 ILE C C 100 175.190 175.190 175.432 -0.242 18375 1142 1 2 . 1 1 100 100 ILE CA C 100 60.340 60.340 58.940 1.400 18375 1143 1 2 . 1 1 100 100 ILE CB C 100 40.390 40.390 36.526 3.864 18375 1144 1 2 . 1 1 100 100 ILE H H 100 9.560 9.560 9.106 0.454 18375 1145 1 2 . 1 1 101 101 SER N N 101 121.940 121.940 123.274 -1.334 18375 1146 1 2 . 1 1 101 101 SER HA H 101 4.120 4.120 4.465 -0.345 18375 1147 1 2 . 1 1 101 101 SER C C 101 174.230 174.230 175.774 -1.544 18375 1148 1 2 . 1 1 101 101 SER CA C 101 59.450 59.450 56.840 2.610 18375 1149 1 2 . 1 1 101 101 SER CB C 101 65.410 65.410 65.015 0.395 18375 1150 1 2 . 1 1 101 101 SER H H 101 8.860 8.860 8.579 0.281 18375 1151 1 2 . 1 1 102 102 ALA N N 102 123.870 123.870 128.711 -4.841 18375 1152 1 2 . 1 1 102 102 ALA HA H 102 3.910 3.910 4.029 -0.119 18375 1153 1 2 . 1 1 102 102 ALA C C 102 170.440 170.440 179.326 -8.886 18375 1154 1 2 . 1 1 102 102 ALA CA C 102 56.360 56.360 54.959 1.401 18375 1155 1 2 . 1 1 102 102 ALA CB C 102 19.430 19.430 18.641 0.789 18375 1156 1 2 . 1 1 102 102 ALA H H 102 8.860 8.860 8.945 -0.085 18375 1157 1 2 . 1 1 103 103 SER N N 103 109.980 109.980 113.167 -3.187 18375 1158 1 2 . 1 1 103 103 SER HA H 103 4.200 4.200 4.141 0.059 18375 1159 1 2 . 1 1 103 103 SER C C 103 176.050 176.050 176.537 -0.487 18375 1160 1 2 . 1 1 103 103 SER CA C 103 61.680 61.680 61.328 0.352 18375 1161 1 2 . 1 1 103 103 SER CB C 103 63.640 63.640 62.961 0.679 18375 1162 1 2 . 1 1 103 103 SER H H 103 8.180 8.180 7.937 0.243 18375 1163 1 2 . 1 1 104 104 GLU N N 104 121.250 121.250 121.421 -0.171 18375 1164 1 2 . 1 1 104 104 GLU HA H 104 4.260 4.260 4.585 -0.325 18375 1165 1 2 . 1 1 104 104 GLU C C 104 178.240 178.240 178.827 -0.587 18375 1166 1 2 . 1 1 104 104 GLU CA C 104 57.960 57.960 57.944 0.016 18375 1167 1 2 . 1 1 104 104 GLU CB C 104 32.210 32.210 30.079 2.131 18375 1168 1 2 . 1 1 104 104 GLU H H 104 7.560 7.560 7.754 -0.194 18375 1169 1 2 . 1 1 105 105 ALA N N 105 121.520 121.520 122.678 -1.158 18375 1170 1 2 . 1 1 105 105 ALA HA H 105 4.060 4.060 4.278 -0.218 18375 1171 1 2 . 1 1 105 105 ALA C C 105 170.230 170.230 179.592 -9.362 18375 1172 1 2 . 1 1 105 105 ALA CA C 105 57.080 57.080 54.794 2.286 18375 1173 1 2 . 1 1 105 105 ALA CB C 105 19.320 19.320 18.108 1.212 18375 1174 1 2 . 1 1 105 105 ALA H H 105 8.280 8.280 8.323 -0.043 18375 1175 1 2 . 1 1 106 106 GLY N N 106 121.950 121.950 106.577 15.373 18375 1176 1 2 . 1 1 106 106 GLY C C 106 174.110 174.110 175.530 -1.420 18375 1177 1 2 . 1 1 106 106 GLY CA C 106 46.780 46.780 46.760 0.020 18375 1178 1 2 . 1 1 106 106 GLY H H 106 8.360 8.360 8.207 0.153 18375 1179 1 2 . 1 1 107 107 ASN N N 107 117.130 117.130 117.264 -0.134 18375 1180 1 2 . 1 1 107 107 ASN HA H 107 4.480 4.480 4.569 -0.089 18375 1181 1 2 . 1 1 107 107 ASN C C 107 175.110 175.110 174.625 0.485 18375 1182 1 2 . 1 1 107 107 ASN CA C 107 54.220 54.220 53.399 0.821 18375 1183 1 2 . 1 1 107 107 ASN CB C 107 38.890 38.890 38.914 -0.024 18375 1184 1 2 . 1 1 107 107 ASN H H 107 7.830 7.830 7.883 -0.053 18375 1185 1 2 . 1 1 108 108 TYR N N 108 117.300 117.300 120.050 -2.750 18375 1186 1 2 . 1 1 108 108 TYR HA H 108 4.620 4.620 4.695 -0.075 18375 1187 1 2 . 1 1 108 108 TYR C C 108 174.810 174.810 175.999 -1.189 18375 1188 1 2 . 1 1 108 108 TYR CA C 108 58.700 58.700 59.272 -0.572 18375 1189 1 2 . 1 1 108 108 TYR CB C 108 41.260 41.260 38.673 2.587 18375 1190 1 2 . 1 1 108 108 TYR H H 108 7.020 7.020 7.158 -0.138 18375 1191 1 2 . 1 1 109 109 ASN N N 109 117.260 117.260 120.899 -3.639 18375 1192 1 2 . 1 1 109 109 ASN HA H 109 5.020 5.020 5.274 -0.254 18375 1193 1 2 . 1 1 109 109 ASN C C 109 173.590 173.590 174.284 -0.694 18375 1194 1 2 . 1 1 109 109 ASN CA C 109 53.140 53.140 53.270 -0.130 18375 1195 1 2 . 1 1 109 109 ASN CB C 109 41.590 41.590 41.212 0.378 18375 1196 1 2 . 1 1 109 109 ASN H H 109 7.910 7.910 9.164 -1.254 18375 1197 1 2 . 1 1 110 110 TYR N N 110 117.410 117.410 114.910 2.500 18375 1198 1 2 . 1 1 110 110 TYR HA H 110 5.300 5.300 5.066 0.234 18375 1199 1 2 . 1 1 110 110 TYR C C 110 174.450 174.450 173.269 1.181 18375 1200 1 2 . 1 1 110 110 TYR CA C 110 57.740 57.740 56.320 1.420 18375 1201 1 2 . 1 1 110 110 TYR CB C 110 41.580 41.580 40.835 0.745 18375 1202 1 2 . 1 1 110 110 TYR H H 110 9.340 9.340 8.707 0.633 18375 1203 1 2 . 1 1 111 111 ILE N N 111 123.080 123.080 118.417 4.663 18375 1204 1 2 . 1 1 111 111 ILE HA H 111 4.360 4.360 4.799 -0.439 18375 1205 1 2 . 1 1 111 111 ILE C C 111 175.250 175.250 174.271 0.979 18375 1206 1 2 . 1 1 111 111 ILE CA C 111 61.530 61.530 60.003 1.527 18375 1207 1 2 . 1 1 111 111 ILE CB C 111 40.560 40.560 39.577 0.983 18375 1208 1 2 . 1 1 111 111 ILE H H 111 9.320 9.320 8.380 0.940 18375 1209 1 2 . 1 1 112 112 HIS N N 112 109.020 109.020 122.901 -13.881 18375 1210 1 2 . 1 1 112 112 HIS HA H 112 4.560 4.560 4.879 -0.319 18375 1211 1 2 . 1 1 112 112 HIS C C 112 173.980 173.980 174.817 -0.837 18375 1212 1 2 . 1 1 112 112 HIS CA C 112 57.550 57.550 53.633 3.917 18375 1213 1 2 . 1 1 112 112 HIS CB C 112 31.350 31.350 32.324 -0.974 18375 1214 1 2 . 1 1 112 112 HIS H H 112 8.710 8.710 7.801 0.909 18375 1215 1 3 . 1 1 3 3 SER HA H 3 4.510 4.510 4.381 0.129 18375 1216 1 3 . 1 1 3 3 SER C C 3 174.460 174.460 174.050 0.410 18375 1217 1 3 . 1 1 3 3 SER CA C 3 59.400 59.400 59.238 0.162 18375 1218 1 3 . 1 1 3 3 SER CB C 3 64.820 64.820 63.576 1.244 18375 1219 1 3 . 1 1 4 4 ILE N N 4 121.890 121.890 118.168 3.722 18375 1220 1 3 . 1 1 4 4 ILE HA H 4 4.210 4.210 4.395 -0.185 18375 1221 1 3 . 1 1 4 4 ILE C C 4 176.040 176.040 175.078 0.962 18375 1222 1 3 . 1 1 4 4 ILE CA C 4 62.180 62.180 61.556 0.624 18375 1223 1 3 . 1 1 4 4 ILE CB C 4 39.930 39.930 38.782 1.148 18375 1224 1 3 . 1 1 4 4 ILE H H 4 8.180 8.180 7.731 0.449 18375 1225 1 3 . 1 1 5 5 SER N N 5 119.230 119.230 120.297 -1.067 18375 1226 1 3 . 1 1 5 5 SER C C 5 174.290 174.290 174.475 -0.185 18375 1227 1 3 . 1 1 5 5 SER CA C 5 59.140 59.140 58.639 0.501 18375 1228 1 3 . 1 1 5 5 SER CB C 5 64.930 64.930 64.841 0.089 18375 1229 1 3 . 1 1 5 5 SER H H 5 8.270 8.270 8.747 -0.477 18375 1230 1 3 . 1 1 6 6 HIS HA H 6 4.650 4.650 4.827 -0.177 18375 1231 1 3 . 1 1 6 6 HIS CA C 6 57.240 57.240 56.092 1.149 18375 1232 1 3 . 1 1 6 6 HIS CB C 6 31.150 31.150 30.409 0.741 18375 1233 1 3 . 1 1 7 7 SER N N 7 117.260 117.260 119.813 -2.553 18375 1234 1 3 . 1 1 7 7 SER HA H 7 4.430 4.430 4.389 0.041 18375 1235 1 3 . 1 1 7 7 SER C C 7 174.890 174.890 175.194 -0.304 18375 1236 1 3 . 1 1 7 7 SER CA C 7 59.750 59.750 59.694 0.056 18375 1237 1 3 . 1 1 7 7 SER CB C 7 64.890 64.890 64.005 0.885 18375 1238 1 3 . 1 1 7 7 SER H H 7 8.360 8.360 9.016 -0.656 18375 1239 1 3 . 1 1 8 8 GLY N N 8 110.140 110.140 107.303 2.837 18375 1240 1 3 . 1 1 8 8 GLY C C 8 173.340 173.340 172.623 0.717 18375 1241 1 3 . 1 1 8 8 GLY CA C 8 45.920 45.920 44.901 1.019 18375 1242 1 3 . 1 1 8 8 GLY H H 8 8.500 8.500 8.633 -0.133 18375 1243 1 3 . 1 1 9 9 ASN N N 9 118.840 118.840 118.696 0.144 18375 1244 1 3 . 1 1 9 9 ASN HA H 9 3.430 3.430 5.171 -1.741 18375 1245 1 3 . 1 1 9 9 ASN C C 9 175.460 175.460 175.939 -0.479 18375 1246 1 3 . 1 1 9 9 ASN CA C 9 53.400 53.400 52.208 1.192 18375 1247 1 3 . 1 1 9 9 ASN CB C 9 38.780 38.780 39.634 -0.854 18375 1248 1 3 . 1 1 9 9 ASN H H 9 8.280 8.280 7.921 0.359 18375 1249 1 3 . 1 1 10 10 LEU N N 10 125.560 125.560 123.670 1.890 18375 1250 1 3 . 1 1 10 10 LEU HA H 10 4.250 4.250 4.383 -0.133 18375 1251 1 3 . 1 1 10 10 LEU C C 10 177.320 177.320 177.538 -0.218 18375 1252 1 3 . 1 1 10 10 LEU CA C 10 55.080 55.080 55.248 -0.168 18375 1253 1 3 . 1 1 10 10 LEU CB C 10 42.110 42.110 42.438 -0.328 18375 1254 1 3 . 1 1 10 10 LEU H H 10 6.850 6.850 8.665 -1.815 18375 1255 1 3 . 1 1 11 11 TYR N N 11 120.920 120.920 118.285 2.635 18375 1256 1 3 . 1 1 11 11 TYR HA H 11 4.350 4.350 4.371 -0.021 18375 1257 1 3 . 1 1 11 11 TYR C C 11 174.800 174.800 177.803 -3.003 18375 1258 1 3 . 1 1 11 11 TYR CA C 11 60.200 60.200 59.834 0.366 18375 1259 1 3 . 1 1 11 11 TYR CB C 11 38.520 38.520 39.264 -0.744 18375 1260 1 3 . 1 1 11 11 TYR H H 11 7.680 7.680 8.615 -0.935 18375 1261 1 3 . 1 1 12 12 THR N N 12 118.320 118.320 115.813 2.507 18375 1262 1 3 . 1 1 12 12 THR HA H 12 3.680 3.680 4.125 -0.445 18375 1263 1 3 . 1 1 12 12 THR C C 12 173.180 173.180 173.422 -0.242 18375 1264 1 3 . 1 1 12 12 THR CA C 12 65.310 65.310 64.372 0.938 18375 1265 1 3 . 1 1 12 12 THR CB C 12 70.080 70.080 69.219 0.861 18375 1266 1 3 . 1 1 12 12 THR H H 12 8.320 8.320 8.660 -0.340 18375 1267 1 3 . 1 1 13 13 ALA N N 13 111.540 111.540 120.497 -8.957 18375 1268 1 3 . 1 1 13 13 ALA HA H 13 3.690 3.690 2.817 0.873 18375 1269 1 3 . 1 1 13 13 ALA CA C 13 53.700 53.700 51.080 2.620 18375 1270 1 3 . 1 1 13 13 ALA H H 13 8.150 8.150 7.082 1.068 18375 1271 1 3 . 1 1 14 14 GLY N N 14 109.410 109.410 107.236 2.174 18375 1272 1 3 . 1 1 14 14 GLY C C 14 173.310 173.310 173.518 -0.208 18375 1273 1 3 . 1 1 14 14 GLY CA C 14 44.150 44.150 45.161 -1.011 18375 1274 1 3 . 1 1 14 14 GLY H H 14 4.990 4.990 6.563 -1.573 18375 1275 1 3 . 1 1 15 15 GLN N N 15 115.720 115.720 116.979 -1.259 18375 1276 1 3 . 1 1 15 15 GLN HA H 15 4.410 4.410 4.706 -0.296 18375 1277 1 3 . 1 1 15 15 GLN C C 15 176.310 176.310 176.921 -0.611 18375 1278 1 3 . 1 1 15 15 GLN CA C 15 55.570 55.570 54.555 1.015 18375 1279 1 3 . 1 1 15 15 GLN CB C 15 31.180 31.180 31.004 0.176 18375 1280 1 3 . 1 1 15 15 GLN H H 15 7.170 7.170 7.874 -0.704 18375 1281 1 3 . 1 1 16 16 CYS N N 16 118.020 118.020 120.336 -2.316 18375 1282 1 3 . 1 1 16 16 CYS HA H 16 4.590 4.590 4.196 0.394 18375 1283 1 3 . 1 1 16 16 CYS C C 16 176.730 176.730 177.158 -0.428 18375 1284 1 3 . 1 1 16 16 CYS CA C 16 61.050 61.050 63.375 -2.325 18375 1285 1 3 . 1 1 16 16 CYS CB C 16 28.600 28.600 27.486 1.113 18375 1286 1 3 . 1 1 16 16 CYS H H 16 9.300 9.300 9.175 0.125 18375 1287 1 3 . 1 1 17 17 THR N N 17 113.910 113.910 111.821 2.089 18375 1288 1 3 . 1 1 17 17 THR HA H 17 3.180 3.180 4.096 -0.916 18375 1289 1 3 . 1 1 17 17 THR C C 17 174.260 174.260 176.229 -1.969 18375 1290 1 3 . 1 1 17 17 THR CA C 17 62.800 62.800 64.769 -1.969 18375 1291 1 3 . 1 1 17 17 THR CB C 17 69.000 69.000 68.400 0.600 18375 1292 1 3 . 1 1 17 17 THR H H 17 7.300 7.300 8.284 -0.984 18375 1293 1 3 . 1 1 18 18 TRP N N 18 123.650 123.650 124.355 -0.705 18375 1294 1 3 . 1 1 18 18 TRP HA H 18 4.380 4.380 4.389 -0.009 18375 1295 1 3 . 1 1 18 18 TRP C C 18 177.910 177.910 176.959 0.951 18375 1296 1 3 . 1 1 18 18 TRP CA C 18 61.600 61.600 61.383 0.217 18375 1297 1 3 . 1 1 18 18 TRP CB C 18 31.320 31.320 29.369 1.951 18375 1298 1 3 . 1 1 18 18 TRP H H 18 6.640 6.640 7.503 -0.863 18375 1299 1 3 . 1 1 19 19 TYR N N 19 115.660 115.660 119.991 -4.331 18375 1300 1 3 . 1 1 19 19 TYR HA H 19 4.120 4.120 4.008 0.112 18375 1301 1 3 . 1 1 19 19 TYR C C 19 177.170 177.170 177.656 -0.486 18375 1302 1 3 . 1 1 19 19 TYR CA C 19 61.370 61.370 62.779 -1.409 18375 1303 1 3 . 1 1 19 19 TYR CB C 19 42.110 42.110 38.717 3.393 18375 1304 1 3 . 1 1 19 19 TYR H H 19 7.680 7.680 9.320 -1.640 18375 1305 1 3 . 1 1 20 20 VAL N N 20 116.740 116.740 119.135 -2.395 18375 1306 1 3 . 1 1 20 20 VAL HA H 20 3.030 3.030 3.612 -0.582 18375 1307 1 3 . 1 1 20 20 VAL C C 20 176.410 176.410 177.800 -1.390 18375 1308 1 3 . 1 1 20 20 VAL CA C 20 68.360 68.360 67.648 0.712 18375 1309 1 3 . 1 1 20 20 VAL CB C 20 32.210 32.210 31.739 0.471 18375 1310 1 3 . 1 1 20 20 VAL H H 20 7.450 7.450 8.224 -0.774 18375 1311 1 3 . 1 1 21 21 TYR N N 21 118.550 118.550 120.825 -2.275 18375 1312 1 3 . 1 1 21 21 TYR HA H 21 3.560 3.560 4.336 -0.776 18375 1313 1 3 . 1 1 21 21 TYR C C 21 176.490 176.490 177.235 -0.745 18375 1314 1 3 . 1 1 21 21 TYR CA C 21 63.990 63.990 61.047 2.943 18375 1315 1 3 . 1 1 21 21 TYR CB C 21 38.970 38.970 38.573 0.397 18375 1316 1 3 . 1 1 21 21 TYR H H 21 8.370 8.370 7.908 0.462 18375 1317 1 3 . 1 1 22 22 ASP N N 22 115.760 115.760 118.785 -3.025 18375 1318 1 3 . 1 1 22 22 ASP HA H 22 4.260 4.260 4.014 0.246 18375 1319 1 3 . 1 1 22 22 ASP C C 22 169.690 169.690 178.991 -9.301 18375 1320 1 3 . 1 1 22 22 ASP CA C 22 58.010 58.010 57.247 0.763 18375 1321 1 3 . 1 1 22 22 ASP CB C 22 41.770 41.770 40.224 1.546 18375 1322 1 3 . 1 1 22 22 ASP H H 22 6.880 6.880 7.977 -1.097 18375 1323 1 3 . 1 1 23 23 LYS N N 23 121.790 121.790 120.008 1.782 18375 1324 1 3 . 1 1 23 23 LYS HA H 23 3.610 3.610 3.699 -0.089 18375 1325 1 3 . 1 1 23 23 LYS C C 23 178.360 178.360 178.384 -0.024 18375 1326 1 3 . 1 1 23 23 LYS CA C 23 57.990 57.990 58.055 -0.065 18375 1327 1 3 . 1 1 23 23 LYS CB C 23 31.350 31.350 31.593 -0.243 18375 1328 1 3 . 1 1 23 23 LYS H H 23 7.820 7.820 7.773 0.047 18375 1329 1 3 . 1 1 24 24 VAL N N 24 108.790 108.790 111.150 -2.360 18375 1330 1 3 . 1 1 24 24 VAL HA H 24 4.390 4.390 4.186 0.204 18375 1331 1 3 . 1 1 24 24 VAL C C 24 176.840 176.840 176.292 0.548 18375 1332 1 3 . 1 1 24 24 VAL CA C 24 61.430 61.430 62.257 -0.827 18375 1333 1 3 . 1 1 24 24 VAL CB C 24 31.690 31.690 31.882 -0.192 18375 1334 1 3 . 1 1 24 24 VAL H H 24 7.590 7.590 7.409 0.181 18375 1335 1 3 . 1 1 25 25 GLY N N 25 110.620 110.620 107.916 2.704 18375 1336 1 3 . 1 1 25 25 GLY C C 25 175.510 175.510 174.978 0.532 18375 1337 1 3 . 1 1 25 25 GLY CA C 25 47.110 47.110 45.025 2.085 18375 1338 1 3 . 1 1 25 25 GLY H H 25 7.680 7.680 7.500 0.180 18375 1339 1 3 . 1 1 26 26 GLY N N 26 122.410 122.410 107.815 14.595 18375 1340 1 3 . 1 1 26 26 GLY C C 26 174.470 174.470 174.466 0.004 18375 1341 1 3 . 1 1 26 26 GLY CA C 26 46.440 46.440 45.011 1.429 18375 1342 1 3 . 1 1 26 26 GLY H H 26 7.870 7.870 7.927 -0.057 18375 1343 1 3 . 1 1 27 27 GLU N N 27 116.720 116.720 118.640 -1.920 18375 1344 1 3 . 1 1 27 27 GLU HA H 27 4.150 4.150 4.078 0.072 18375 1345 1 3 . 1 1 27 27 GLU C C 27 175.810 175.810 175.823 -0.013 18375 1346 1 3 . 1 1 27 27 GLU CA C 27 58.110 58.110 58.106 0.004 18375 1347 1 3 . 1 1 27 27 GLU CB C 27 30.500 30.500 30.329 0.171 18375 1348 1 3 . 1 1 27 27 GLU H H 27 6.650 6.650 7.440 -0.790 18375 1349 1 3 . 1 1 28 28 ILE N N 28 125.210 125.210 116.913 8.297 18375 1350 1 3 . 1 1 28 28 ILE HA H 28 4.040 4.040 4.369 -0.329 18375 1351 1 3 . 1 1 28 28 ILE CA C 28 60.160 60.160 60.248 -0.088 18375 1352 1 3 . 1 1 28 28 ILE CB C 28 40.940 40.940 39.009 1.931 18375 1353 1 3 . 1 1 28 28 ILE H H 28 6.330 6.330 7.553 -1.223 18375 1354 1 3 . 1 1 29 29 GLY C C 29 174.050 174.050 173.613 0.437 18375 1355 1 3 . 1 1 29 29 GLY CA C 29 46.190 46.190 44.463 1.727 18375 1356 1 3 . 1 1 30 30 SER N N 30 115.530 115.530 113.329 2.201 18375 1357 1 3 . 1 1 30 30 SER HA H 30 4.140 4.140 3.342 0.798 18375 1358 1 3 . 1 1 30 30 SER C C 30 174.000 174.000 175.154 -1.154 18375 1359 1 3 . 1 1 30 30 SER CA C 30 60.180 60.180 60.445 -0.265 18375 1360 1 3 . 1 1 30 30 SER CB C 30 65.150 65.150 61.877 3.272 18375 1361 1 3 . 1 1 30 30 SER H H 30 8.540 8.540 7.086 1.454 18375 1362 1 3 . 1 1 31 31 THR N N 31 124.440 124.440 114.771 9.669 18375 1363 1 3 . 1 1 31 31 THR HA H 31 4.460 4.460 4.177 0.283 18375 1364 1 3 . 1 1 31 31 THR C C 31 175.390 175.390 174.500 0.890 18375 1365 1 3 . 1 1 31 31 THR CA C 31 61.350 61.350 63.266 -1.915 18375 1366 1 3 . 1 1 31 31 THR CB C 31 69.190 69.190 68.669 0.521 18375 1367 1 3 . 1 1 31 31 THR H H 31 7.070 7.070 8.120 -1.050 18375 1368 1 3 . 1 1 32 32 TRP N N 32 121.120 121.120 118.272 2.848 18375 1369 1 3 . 1 1 32 32 TRP HA H 32 4.470 4.470 4.510 -0.040 18375 1370 1 3 . 1 1 32 32 TRP C C 32 175.720 175.720 176.391 -0.671 18375 1371 1 3 . 1 1 32 32 TRP CA C 32 57.500 57.500 55.002 2.498 18375 1372 1 3 . 1 1 32 32 TRP CB C 32 28.670 28.670 27.856 0.814 18375 1373 1 3 . 1 1 32 32 TRP H H 32 7.750 7.750 7.137 0.613 18375 1374 1 3 . 1 1 33 33 GLY N N 33 125.330 125.330 109.868 15.462 18375 1375 1 3 . 1 1 33 33 GLY C C 33 175.520 175.520 173.562 1.958 18375 1376 1 3 . 1 1 33 33 GLY CA C 33 46.390 46.390 45.703 0.687 18375 1377 1 3 . 1 1 33 33 GLY H H 33 8.580 8.580 7.868 0.712 18375 1378 1 3 . 1 1 34 34 ASN N N 34 118.870 118.870 120.129 -1.259 18375 1379 1 3 . 1 1 34 34 ASN HA H 34 4.720 4.720 5.467 -0.747 18375 1380 1 3 . 1 1 34 34 ASN C C 34 175.710 175.710 176.626 -0.916 18375 1381 1 3 . 1 1 34 34 ASN CA C 34 54.630 54.630 52.150 2.480 18375 1382 1 3 . 1 1 34 34 ASN CB C 34 40.050 40.050 41.747 -1.697 18375 1383 1 3 . 1 1 34 34 ASN H H 34 8.780 8.780 8.207 0.573 18375 1384 1 3 . 1 1 35 35 ALA N N 35 121.960 121.960 124.623 -2.663 18375 1385 1 3 . 1 1 35 35 ALA HA H 35 2.920 2.920 3.472 -0.552 18375 1386 1 3 . 1 1 35 35 ALA C C 35 169.710 169.710 178.845 -9.135 18375 1387 1 3 . 1 1 35 35 ALA CA C 35 55.950 55.950 55.226 0.724 18375 1388 1 3 . 1 1 35 35 ALA CB C 35 20.460 20.460 18.300 2.160 18375 1389 1 3 . 1 1 35 35 ALA H H 35 8.750 8.750 8.832 -0.082 18375 1390 1 3 . 1 1 36 36 ASN N N 36 114.940 114.940 114.407 0.533 18375 1391 1 3 . 1 1 36 36 ASN HA H 36 4.170 4.170 4.550 -0.380 18375 1392 1 3 . 1 1 36 36 ASN C C 36 175.200 175.200 175.879 -0.679 18375 1393 1 3 . 1 1 36 36 ASN CA C 36 55.930 55.930 53.793 2.137 18375 1394 1 3 . 1 1 36 36 ASN CB C 36 36.690 36.690 38.841 -2.151 18375 1395 1 3 . 1 1 36 36 ASN H H 36 8.410 8.410 8.327 0.083 18375 1396 1 3 . 1 1 37 37 ASN N N 37 120.180 120.180 117.197 2.983 18375 1397 1 3 . 1 1 37 37 ASN HA H 37 5.060 5.060 4.944 0.116 18375 1398 1 3 . 1 1 37 37 ASN C C 37 176.530 176.530 176.376 0.154 18375 1399 1 3 . 1 1 37 37 ASN CA C 37 54.250 54.250 53.659 0.591 18375 1400 1 3 . 1 1 37 37 ASN CB C 37 41.720 41.720 39.249 2.471 18375 1401 1 3 . 1 1 37 37 ASN H H 37 8.850 8.850 7.802 1.048 18375 1402 1 3 . 1 1 38 38 TRP N N 38 118.410 118.410 123.062 -4.652 18375 1403 1 3 . 1 1 38 38 TRP HA H 38 4.190 4.190 4.513 -0.323 18375 1404 1 3 . 1 1 38 38 TRP C C 38 177.390 177.390 178.384 -0.994 18375 1405 1 3 . 1 1 38 38 TRP CA C 38 63.450 63.450 62.137 1.313 18375 1406 1 3 . 1 1 38 38 TRP CB C 38 29.680 29.680 28.694 0.986 18375 1407 1 3 . 1 1 38 38 TRP H H 38 8.240 8.240 7.794 0.446 18375 1408 1 3 . 1 1 39 39 ALA N N 39 118.400 118.400 119.266 -0.866 18375 1409 1 3 . 1 1 39 39 ALA HA H 39 3.770 3.770 4.089 -0.319 18375 1410 1 3 . 1 1 39 39 ALA C C 39 178.580 178.580 179.755 -1.175 18375 1411 1 3 . 1 1 39 39 ALA CA C 39 56.760 56.760 55.210 1.550 18375 1412 1 3 . 1 1 39 39 ALA CB C 39 18.020 18.020 17.789 0.231 18375 1413 1 3 . 1 1 39 39 ALA H H 39 7.150 7.150 8.884 -1.734 18375 1414 1 3 . 1 1 40 40 ALA N N 40 121.830 121.830 121.602 0.228 18375 1415 1 3 . 1 1 40 40 ALA HA H 40 3.990 3.990 4.150 -0.160 18375 1416 1 3 . 1 1 40 40 ALA C C 40 171.320 171.320 179.276 -7.956 18375 1417 1 3 . 1 1 40 40 ALA CA C 40 55.610 55.610 54.404 1.206 18375 1418 1 3 . 1 1 40 40 ALA CB C 40 18.840 18.840 18.713 0.127 18375 1419 1 3 . 1 1 40 40 ALA H H 40 8.060 8.060 7.472 0.588 18375 1420 1 3 . 1 1 41 41 ALA N N 41 122.200 122.200 120.871 1.329 18375 1421 1 3 . 1 1 41 41 ALA HA H 41 3.630 3.630 4.065 -0.435 18375 1422 1 3 . 1 1 41 41 ALA C C 41 170.110 170.110 179.370 -9.260 18375 1423 1 3 . 1 1 41 41 ALA CA C 41 55.240 55.240 54.627 0.613 18375 1424 1 3 . 1 1 41 41 ALA CB C 41 18.020 18.020 18.560 -0.540 18375 1425 1 3 . 1 1 41 41 ALA H H 41 8.250 8.250 8.256 -0.006 18375 1426 1 3 . 1 1 42 42 ALA N N 42 119.600 119.600 121.129 -1.529 18375 1427 1 3 . 1 1 42 42 ALA HA H 42 3.270 3.270 3.401 -0.131 18375 1428 1 3 . 1 1 42 42 ALA C C 42 170.160 170.160 179.258 -9.098 18375 1429 1 3 . 1 1 42 42 ALA CA C 42 55.480 55.480 55.170 0.310 18375 1430 1 3 . 1 1 42 42 ALA CB C 42 19.890 19.890 18.306 1.584 18375 1431 1 3 . 1 1 42 42 ALA H H 42 7.710 7.710 8.763 -1.053 18375 1432 1 3 . 1 1 43 43 GLN N N 43 118.750 118.750 118.301 0.449 18375 1433 1 3 . 1 1 43 43 GLN HA H 43 4.340 4.340 4.270 0.070 18375 1434 1 3 . 1 1 43 43 GLN C C 43 170.980 170.980 178.970 -7.990 18375 1435 1 3 . 1 1 43 43 GLN CA C 43 60.200 60.200 58.184 2.016 18375 1436 1 3 . 1 1 43 43 GLN CB C 43 29.710 29.710 28.865 0.845 18375 1437 1 3 . 1 1 43 43 GLN H H 43 7.880 7.880 7.860 0.020 18375 1438 1 3 . 1 1 44 44 GLY N N 44 125.760 125.760 106.250 19.510 18375 1439 1 3 . 1 1 44 44 GLY C C 44 174.300 174.300 175.015 -0.715 18375 1440 1 3 . 1 1 44 44 GLY CA C 44 47.660 47.660 45.908 1.752 18375 1441 1 3 . 1 1 44 44 GLY H H 44 8.010 8.010 7.531 0.479 18375 1442 1 3 . 1 1 45 45 ALA N N 45 121.480 121.480 122.253 -0.773 18375 1443 1 3 . 1 1 45 45 ALA HA H 45 4.620 4.620 4.072 0.548 18375 1444 1 3 . 1 1 45 45 ALA C C 45 177.190 177.190 177.710 -0.520 18375 1445 1 3 . 1 1 45 45 ALA CA C 45 52.680 52.680 52.612 0.068 18375 1446 1 3 . 1 1 45 45 ALA CB C 45 20.560 20.560 19.280 1.280 18375 1447 1 3 . 1 1 45 45 ALA H H 45 7.540 7.540 7.691 -0.151 18375 1448 1 3 . 1 1 46 46 GLY N N 46 123.690 123.690 103.878 19.812 18375 1449 1 3 . 1 1 46 46 GLY C C 46 174.980 174.980 174.126 0.854 18375 1450 1 3 . 1 1 46 46 GLY CA C 46 46.540 46.540 44.632 1.908 18375 1451 1 3 . 1 1 46 46 GLY H H 46 7.680 7.680 7.448 0.232 18375 1452 1 3 . 1 1 47 47 PHE N N 47 119.960 119.960 120.722 -0.762 18375 1453 1 3 . 1 1 47 47 PHE HA H 47 4.620 4.620 5.105 -0.485 18375 1454 1 3 . 1 1 47 47 PHE C C 47 176.120 176.120 176.018 0.102 18375 1455 1 3 . 1 1 47 47 PHE CA C 47 59.000 59.000 54.950 4.050 18375 1456 1 3 . 1 1 47 47 PHE CB C 47 40.350 40.350 39.249 1.101 18375 1457 1 3 . 1 1 47 47 PHE H H 47 8.280 8.280 7.921 0.359 18375 1458 1 3 . 1 1 48 48 THR N N 48 120.680 120.680 118.142 2.538 18375 1459 1 3 . 1 1 48 48 THR HA H 48 4.190 4.190 4.792 -0.602 18375 1460 1 3 . 1 1 48 48 THR C C 48 173.000 173.000 173.114 -0.114 18375 1461 1 3 . 1 1 48 48 THR CA C 48 65.150 65.150 61.728 3.422 18375 1462 1 3 . 1 1 48 48 THR CB C 48 70.530 70.530 70.022 0.508 18375 1463 1 3 . 1 1 48 48 THR H H 48 9.260 9.260 8.823 0.437 18375 1464 1 3 . 1 1 49 49 VAL N N 49 111.320 111.320 122.429 -11.109 18375 1465 1 3 . 1 1 49 49 VAL HA H 49 5.380 5.380 5.245 0.135 18375 1466 1 3 . 1 1 49 49 VAL C C 49 175.570 175.570 175.091 0.479 18375 1467 1 3 . 1 1 49 49 VAL CA C 49 61.510 61.510 60.111 1.399 18375 1468 1 3 . 1 1 49 49 VAL CB C 49 34.960 34.960 33.707 1.253 18375 1469 1 3 . 1 1 49 49 VAL H H 49 8.560 8.560 8.721 -0.161 18375 1470 1 3 . 1 1 50 50 ASN N N 50 125.000 125.000 125.765 -0.765 18375 1471 1 3 . 1 1 50 50 ASN HA H 50 4.800 4.800 4.901 -0.101 18375 1472 1 3 . 1 1 50 50 ASN C C 50 174.270 174.270 174.338 -0.068 18375 1473 1 3 . 1 1 50 50 ASN CA C 50 53.430 53.430 53.019 0.411 18375 1474 1 3 . 1 1 50 50 ASN CB C 50 39.100 39.100 39.641 -0.541 18375 1475 1 3 . 1 1 50 50 ASN H H 50 9.010 9.010 9.238 -0.228 18375 1476 1 3 . 1 1 51 51 HIS N N 51 114.650 114.650 116.300 -1.650 18375 1477 1 3 . 1 1 51 51 HIS HA H 51 5.760 5.760 4.452 1.308 18375 1478 1 3 . 1 1 51 51 HIS C C 51 174.060 174.060 172.709 1.351 18375 1479 1 3 . 1 1 51 51 HIS CA C 51 56.360 56.360 56.694 -0.334 18375 1480 1 3 . 1 1 51 51 HIS CB C 51 29.980 29.980 26.825 3.155 18375 1481 1 3 . 1 1 51 51 HIS H H 51 8.550 8.550 8.082 0.468 18375 1482 1 3 . 1 1 52 52 THR N N 52 119.910 119.910 114.768 5.142 18375 1483 1 3 . 1 1 52 52 THR HA H 52 4.600 4.600 4.803 -0.203 18375 1484 1 3 . 1 1 52 52 THR CA C 52 60.140 60.140 59.950 0.189 18375 1485 1 3 . 1 1 52 52 THR CB C 52 71.890 71.890 70.889 1.001 18375 1486 1 3 . 1 1 52 52 THR H H 52 8.500 8.500 7.007 1.493 18375 1487 1 3 . 1 1 53 53 PRO HA H 53 2.920 2.920 4.265 -1.345 18375 1488 1 3 . 1 1 53 53 PRO C C 53 175.410 175.410 176.020 -0.610 18375 1489 1 3 . 1 1 53 53 PRO CA C 53 62.460 62.460 62.932 -0.472 18375 1490 1 3 . 1 1 53 53 PRO CB C 53 33.410 33.410 32.178 1.232 18375 1491 1 3 . 1 1 54 54 SER N N 54 108.990 108.990 114.950 -5.960 18375 1492 1 3 . 1 1 54 54 SER HA H 54 4.300 4.300 4.652 -0.352 18375 1493 1 3 . 1 1 54 54 SER C C 54 172.380 172.380 172.829 -0.449 18375 1494 1 3 . 1 1 54 54 SER CA C 54 58.270 58.270 56.407 1.863 18375 1495 1 3 . 1 1 54 54 SER CB C 54 66.620 66.620 66.254 0.366 18375 1496 1 3 . 1 1 54 54 SER H H 54 6.000 6.000 7.938 -1.938 18375 1497 1 3 . 1 1 55 55 LYS N N 55 124.470 124.470 122.559 1.911 18375 1498 1 3 . 1 1 55 55 LYS HA H 55 3.500 3.500 3.900 -0.400 18375 1499 1 3 . 1 1 55 55 LYS C C 55 177.150 177.150 177.272 -0.122 18375 1500 1 3 . 1 1 55 55 LYS CA C 55 59.850 59.850 58.007 1.843 18375 1501 1 3 . 1 1 55 55 LYS CB C 55 33.010 33.010 31.982 1.028 18375 1502 1 3 . 1 1 55 55 LYS H H 55 8.860 8.860 8.673 0.187 18375 1503 1 3 . 1 1 56 56 GLY N N 56 116.710 116.710 114.304 2.406 18375 1504 1 3 . 1 1 56 56 GLY C C 56 173.430 173.430 173.285 0.145 18375 1505 1 3 . 1 1 56 56 GLY CA C 56 45.600 45.600 44.755 0.844 18375 1506 1 3 . 1 1 56 56 GLY H H 56 8.950 8.950 8.807 0.143 18375 1507 1 3 . 1 1 57 57 ALA N N 57 118.940 118.940 121.557 -2.617 18375 1508 1 3 . 1 1 57 57 ALA HA H 57 4.630 4.630 4.710 -0.080 18375 1509 1 3 . 1 1 57 57 ALA C C 57 174.570 174.570 175.268 -0.698 18375 1510 1 3 . 1 1 57 57 ALA CA C 57 51.840 51.840 50.181 1.659 18375 1511 1 3 . 1 1 57 57 ALA CB C 57 20.960 20.960 21.581 -0.621 18375 1512 1 3 . 1 1 57 57 ALA H H 57 7.420 7.420 7.617 -0.197 18375 1513 1 3 . 1 1 58 58 ILE N N 58 117.340 117.340 115.647 1.693 18375 1514 1 3 . 1 1 58 58 ILE HA H 58 4.720 4.720 4.782 -0.062 18375 1515 1 3 . 1 1 58 58 ILE C C 58 176.920 176.920 174.442 2.478 18375 1516 1 3 . 1 1 58 58 ILE CA C 58 60.910 60.910 60.166 0.744 18375 1517 1 3 . 1 1 58 58 ILE CB C 58 41.820 41.820 42.785 -0.965 18375 1518 1 3 . 1 1 58 58 ILE H H 58 8.350 8.350 8.373 -0.023 18375 1519 1 3 . 1 1 59 59 LEU N N 59 112.330 112.330 119.796 -7.466 18375 1520 1 3 . 1 1 59 59 LEU HA H 59 4.220 4.220 4.781 -0.561 18375 1521 1 3 . 1 1 59 59 LEU C C 59 174.530 174.530 174.473 0.057 18375 1522 1 3 . 1 1 59 59 LEU CA C 59 56.430 56.430 53.269 3.161 18375 1523 1 3 . 1 1 59 59 LEU CB C 59 44.160 44.160 46.276 -2.116 18375 1524 1 3 . 1 1 59 59 LEU H H 59 8.430 8.430 8.310 0.120 18375 1525 1 3 . 1 1 60 60 GLN N N 60 111.170 111.170 121.422 -10.252 18375 1526 1 3 . 1 1 60 60 GLN HA H 60 4.970 4.970 5.235 -0.265 18375 1527 1 3 . 1 1 60 60 GLN C C 60 172.980 172.980 173.813 -0.833 18375 1528 1 3 . 1 1 60 60 GLN CA C 60 56.720 56.720 54.664 2.056 18375 1529 1 3 . 1 1 60 60 GLN CB C 60 30.950 30.950 31.524 -0.574 18375 1530 1 3 . 1 1 60 60 GLN H H 60 9.490 9.490 8.462 1.028 18375 1531 1 3 . 1 1 61 61 SER N N 61 118.550 118.550 121.716 -3.166 18375 1532 1 3 . 1 1 61 61 SER HA H 61 4.940 4.940 4.907 0.033 18375 1533 1 3 . 1 1 61 61 SER C C 61 174.370 174.370 173.713 0.657 18375 1534 1 3 . 1 1 61 61 SER CA C 61 56.570 56.570 56.412 0.158 18375 1535 1 3 . 1 1 61 61 SER CB C 61 67.130 67.130 65.414 1.716 18375 1536 1 3 . 1 1 61 61 SER H H 61 8.800 8.800 9.015 -0.215 18375 1537 1 3 . 1 1 62 62 SER N N 62 120.910 120.910 122.369 -1.459 18375 1538 1 3 . 1 1 62 62 SER HA H 62 4.540 4.540 4.544 -0.004 18375 1539 1 3 . 1 1 62 62 SER C C 62 173.560 173.560 174.317 -0.757 18375 1540 1 3 . 1 1 62 62 SER CA C 62 59.270 59.270 58.659 0.611 18375 1541 1 3 . 1 1 62 62 SER CB C 62 64.390 64.390 62.387 2.003 18375 1542 1 3 . 1 1 62 62 SER H H 62 8.900 8.900 8.699 0.201 18375 1543 1 3 . 1 1 63 63 GLU N N 63 121.810 121.810 125.406 -3.596 18375 1544 1 3 . 1 1 63 63 GLU HA H 63 4.220 4.220 4.514 -0.294 18375 1545 1 3 . 1 1 63 63 GLU C C 63 176.030 176.030 177.552 -1.522 18375 1546 1 3 . 1 1 63 63 GLU CA C 63 57.840 57.840 55.397 2.443 18375 1547 1 3 . 1 1 63 63 GLU CB C 63 32.170 32.170 31.796 0.374 18375 1548 1 3 . 1 1 63 63 GLU H H 63 8.040 8.040 7.695 0.345 18375 1549 1 3 . 1 1 64 64 GLY N N 64 125.900 125.900 111.456 14.444 18375 1550 1 3 . 1 1 64 64 GLY CA C 64 45.490 45.490 47.110 -1.620 18375 1551 1 3 . 1 1 64 64 GLY H H 64 8.200 8.200 8.895 -0.695 18375 1552 1 3 . 1 1 65 65 PRO HA H 65 4.040 4.040 4.353 -0.313 18375 1553 1 3 . 1 1 65 65 PRO C C 65 177.870 177.870 176.710 1.160 18375 1554 1 3 . 1 1 65 65 PRO CA C 65 65.610 65.610 65.182 0.428 18375 1555 1 3 . 1 1 65 65 PRO CB C 65 32.160 32.160 31.724 0.436 18375 1556 1 3 . 1 1 66 66 PHE N N 66 112.970 112.970 112.391 0.579 18375 1557 1 3 . 1 1 66 66 PHE HA H 66 4.920 4.920 4.872 0.048 18375 1558 1 3 . 1 1 66 66 PHE C C 66 176.190 176.190 174.435 1.755 18375 1559 1 3 . 1 1 66 66 PHE CA C 66 57.420 57.420 55.220 2.200 18375 1560 1 3 . 1 1 66 66 PHE CB C 66 42.360 42.360 38.892 3.468 18375 1561 1 3 . 1 1 66 66 PHE H H 66 8.490 8.490 7.674 0.816 18375 1562 1 3 . 1 1 67 67 GLY N N 67 124.370 124.370 109.946 14.424 18375 1563 1 3 . 1 1 67 67 GLY C C 67 172.480 172.480 172.168 0.312 18375 1564 1 3 . 1 1 67 67 GLY CA C 67 46.860 46.860 44.993 1.867 18375 1565 1 3 . 1 1 67 67 GLY H H 67 6.940 6.940 7.585 -0.645 18375 1566 1 3 . 1 1 68 68 HIS N N 68 117.820 117.820 117.616 0.204 18375 1567 1 3 . 1 1 68 68 HIS HA H 68 5.020 5.020 4.330 0.690 18375 1568 1 3 . 1 1 68 68 HIS C C 68 173.790 173.790 172.735 1.055 18375 1569 1 3 . 1 1 68 68 HIS CA C 68 58.230 58.230 55.369 2.861 18375 1570 1 3 . 1 1 68 68 HIS CB C 68 36.120 36.120 31.981 4.139 18375 1571 1 3 . 1 1 68 68 HIS H H 68 8.590 8.590 7.648 0.942 18375 1572 1 3 . 1 1 69 69 VAL N N 69 116.830 116.830 121.158 -4.328 18375 1573 1 3 . 1 1 69 69 VAL HA H 69 5.320 5.320 4.821 0.499 18375 1574 1 3 . 1 1 69 69 VAL C C 69 173.060 173.060 173.256 -0.196 18375 1575 1 3 . 1 1 69 69 VAL CA C 69 58.940 58.940 58.977 -0.038 18375 1576 1 3 . 1 1 69 69 VAL CB C 69 37.700 37.700 34.457 3.243 18375 1577 1 3 . 1 1 69 69 VAL H H 69 6.040 6.040 7.876 -1.836 18375 1578 1 3 . 1 1 70 70 ALA N N 70 120.820 120.820 127.541 -6.721 18375 1579 1 3 . 1 1 70 70 ALA HA H 70 4.510 4.510 4.700 -0.190 18375 1580 1 3 . 1 1 70 70 ALA C C 70 173.870 173.870 175.773 -1.903 18375 1581 1 3 . 1 1 70 70 ALA CA C 70 51.560 51.560 50.584 0.976 18375 1582 1 3 . 1 1 70 70 ALA CB C 70 26.390 26.390 22.164 4.226 18375 1583 1 3 . 1 1 70 70 ALA H H 70 8.890 8.890 7.673 1.217 18375 1584 1 3 . 1 1 71 71 TYR N N 71 121.640 121.640 126.288 -4.648 18375 1585 1 3 . 1 1 71 71 TYR HA H 71 4.890 4.890 4.462 0.428 18375 1586 1 3 . 1 1 71 71 TYR C C 71 174.620 174.620 174.248 0.372 18375 1587 1 3 . 1 1 71 71 TYR CA C 71 58.140 58.140 58.684 -0.544 18375 1588 1 3 . 1 1 71 71 TYR CB C 71 42.850 42.850 39.546 3.304 18375 1589 1 3 . 1 1 71 71 TYR H H 71 9.310 9.310 8.508 0.802 18375 1590 1 3 . 1 1 72 72 VAL N N 72 126.010 126.010 127.779 -1.769 18375 1591 1 3 . 1 1 72 72 VAL HA H 72 3.880 3.880 4.116 -0.236 18375 1592 1 3 . 1 1 72 72 VAL C C 72 174.250 174.250 175.685 -1.435 18375 1593 1 3 . 1 1 72 72 VAL CA C 72 64.970 64.970 62.472 2.498 18375 1594 1 3 . 1 1 72 72 VAL CB C 72 31.470 31.470 31.316 0.154 18375 1595 1 3 . 1 1 72 72 VAL H H 72 8.230 8.230 8.694 -0.464 18375 1596 1 3 . 1 1 73 73 GLU N N 73 112.690 112.690 127.734 -15.044 18375 1597 1 3 . 1 1 73 73 GLU HA H 73 4.250 4.250 4.207 0.043 18375 1598 1 3 . 1 1 73 73 GLU C C 73 178.020 178.020 176.117 1.903 18375 1599 1 3 . 1 1 73 73 GLU CA C 73 58.400 58.400 57.805 0.595 18375 1600 1 3 . 1 1 73 73 GLU CB C 73 31.050 31.050 30.750 0.300 18375 1601 1 3 . 1 1 73 73 GLU H H 73 8.820 8.820 8.220 0.600 18375 1602 1 3 . 1 1 74 74 SER N N 74 125.880 125.880 108.604 17.276 18375 1603 1 3 . 1 1 74 74 SER HA H 74 4.330 4.330 4.531 -0.201 18375 1604 1 3 . 1 1 74 74 SER C C 74 172.030 172.030 171.704 0.326 18375 1605 1 3 . 1 1 74 74 SER CA C 74 59.220 59.220 57.639 1.581 18375 1606 1 3 . 1 1 74 74 SER CB C 74 65.620 65.620 65.526 0.094 18375 1607 1 3 . 1 1 74 74 SER H H 74 7.900 7.900 7.494 0.406 18375 1608 1 3 . 1 1 75 75 VAL N N 75 122.760 122.760 120.682 2.078 18375 1609 1 3 . 1 1 75 75 VAL HA H 75 4.320 4.320 4.261 0.059 18375 1610 1 3 . 1 1 75 75 VAL C C 75 176.270 176.270 174.322 1.948 18375 1611 1 3 . 1 1 75 75 VAL CA C 75 63.380 63.380 60.374 3.006 18375 1612 1 3 . 1 1 75 75 VAL CB C 75 32.750 32.750 34.003 -1.253 18375 1613 1 3 . 1 1 75 75 VAL H H 75 8.400 8.400 8.421 -0.021 18375 1614 1 3 . 1 1 76 76 ASN N N 76 125.270 125.270 126.570 -1.300 18375 1615 1 3 . 1 1 76 76 ASN HA H 76 4.790 4.790 4.919 -0.129 18375 1616 1 3 . 1 1 76 76 ASN CA C 76 54.260 54.260 52.628 1.632 18375 1617 1 3 . 1 1 76 76 ASN CB C 76 39.960 39.960 39.553 0.407 18375 1618 1 3 . 1 1 76 76 ASN H H 76 9.080 9.080 8.882 0.198 18375 1619 1 3 . 1 1 77 77 SER HA H 77 4.130 4.130 4.286 -0.156 18375 1620 1 3 . 1 1 77 77 SER C C 77 174.410 174.410 175.006 -0.596 18375 1621 1 3 . 1 1 77 77 SER CA C 77 62.670 62.670 60.952 1.718 18375 1622 1 3 . 1 1 77 77 SER CB C 77 63.600 63.600 63.098 0.502 18375 1623 1 3 . 1 1 78 78 ASP N N 78 118.590 118.590 118.953 -0.363 18375 1624 1 3 . 1 1 78 78 ASP HA H 78 4.580 4.580 4.591 -0.011 18375 1625 1 3 . 1 1 78 78 ASP C C 78 176.790 176.790 177.334 -0.544 18375 1626 1 3 . 1 1 78 78 ASP CA C 78 53.960 53.960 54.846 -0.886 18375 1627 1 3 . 1 1 78 78 ASP CB C 78 40.880 40.880 40.589 0.291 18375 1628 1 3 . 1 1 78 78 ASP H H 78 7.980 7.980 8.207 -0.227 18375 1629 1 3 . 1 1 79 79 GLY N N 79 109.220 109.220 105.492 3.728 18375 1630 1 3 . 1 1 79 79 GLY C C 79 173.470 173.470 173.403 0.067 18375 1631 1 3 . 1 1 79 79 GLY CA C 79 46.050 46.050 45.053 0.997 18375 1632 1 3 . 1 1 79 79 GLY H H 79 8.180 8.180 8.054 0.126 18375 1633 1 3 . 1 1 80 80 SER N N 80 114.200 114.200 117.222 -3.022 18375 1634 1 3 . 1 1 80 80 SER HA H 80 4.350 4.350 5.201 -0.851 18375 1635 1 3 . 1 1 80 80 SER C C 80 172.630 172.630 174.219 -1.589 18375 1636 1 3 . 1 1 80 80 SER CA C 80 59.580 59.580 57.465 2.115 18375 1637 1 3 . 1 1 80 80 SER CB C 80 65.710 65.710 64.672 1.038 18375 1638 1 3 . 1 1 80 80 SER H H 80 7.930 7.930 7.573 0.357 18375 1639 1 3 . 1 1 81 81 VAL N N 81 118.060 118.060 119.421 -1.361 18375 1640 1 3 . 1 1 81 81 VAL HA H 81 4.690 4.690 4.477 0.213 18375 1641 1 3 . 1 1 81 81 VAL C C 81 175.220 175.220 174.820 0.400 18375 1642 1 3 . 1 1 81 81 VAL CA C 81 61.980 61.980 60.289 1.691 18375 1643 1 3 . 1 1 81 81 VAL CB C 81 36.810 36.810 32.667 4.143 18375 1644 1 3 . 1 1 81 81 VAL H H 81 8.820 8.820 8.776 0.044 18375 1645 1 3 . 1 1 82 82 THR N N 82 125.170 125.170 120.692 4.478 18375 1646 1 3 . 1 1 82 82 THR HA H 82 5.190 5.190 4.670 0.520 18375 1647 1 3 . 1 1 82 82 THR C C 82 174.150 174.150 173.925 0.225 18375 1648 1 3 . 1 1 82 82 THR CA C 82 63.440 63.440 62.228 1.212 18375 1649 1 3 . 1 1 82 82 THR CB C 82 70.520 70.520 69.092 1.428 18375 1650 1 3 . 1 1 82 82 THR H H 82 9.020 9.020 8.749 0.271 18375 1651 1 3 . 1 1 83 83 ILE N N 83 120.970 120.970 124.702 -3.732 18375 1652 1 3 . 1 1 83 83 ILE HA H 83 5.640 5.640 4.813 0.827 18375 1653 1 3 . 1 1 83 83 ILE C C 83 175.030 175.030 174.052 0.978 18375 1654 1 3 . 1 1 83 83 ILE CA C 83 59.440 59.440 59.379 0.061 18375 1655 1 3 . 1 1 83 83 ILE CB C 83 42.170 42.170 39.333 2.837 18375 1656 1 3 . 1 1 83 83 ILE H H 83 9.280 9.280 7.949 1.331 18375 1657 1 3 . 1 1 84 84 SER N N 84 115.430 115.430 120.875 -5.445 18375 1658 1 3 . 1 1 84 84 SER HA H 84 5.590 5.590 5.405 0.185 18375 1659 1 3 . 1 1 84 84 SER C C 84 173.130 173.130 173.434 -0.304 18375 1660 1 3 . 1 1 84 84 SER CA C 84 58.050 58.050 57.487 0.563 18375 1661 1 3 . 1 1 84 84 SER CB C 84 67.140 67.140 64.930 2.210 18375 1662 1 3 . 1 1 84 84 SER H H 84 9.600 9.600 9.200 0.400 18375 1663 1 3 . 1 1 85 85 GLU N N 85 117.660 117.660 123.644 -5.984 18375 1664 1 3 . 1 1 85 85 GLU HA H 85 5.180 5.180 4.816 0.364 18375 1665 1 3 . 1 1 85 85 GLU C C 85 171.780 171.780 173.953 -2.173 18375 1666 1 3 . 1 1 85 85 GLU CA C 85 54.880 54.880 54.065 0.815 18375 1667 1 3 . 1 1 85 85 GLU CB C 85 33.540 33.540 33.201 0.339 18375 1668 1 3 . 1 1 85 85 GLU H H 85 8.800 8.800 8.874 -0.074 18375 1669 1 3 . 1 1 86 86 MET N N 86 118.950 118.950 119.711 -0.761 18375 1670 1 3 . 1 1 86 86 MET HA H 86 5.250 5.250 4.496 0.754 18375 1671 1 3 . 1 1 86 86 MET C C 86 175.010 175.010 174.813 0.197 18375 1672 1 3 . 1 1 86 86 MET CA C 86 53.880 53.880 53.907 -0.027 18375 1673 1 3 . 1 1 86 86 MET CB C 86 38.240 38.240 34.588 3.652 18375 1674 1 3 . 1 1 86 86 MET H H 86 8.490 8.490 8.552 -0.062 18375 1675 1 3 . 1 1 87 87 ASN N N 87 116.670 116.670 126.056 -9.386 18375 1676 1 3 . 1 1 87 87 ASN HA H 87 4.190 4.190 4.789 -0.599 18375 1677 1 3 . 1 1 87 87 ASN C C 87 174.810 174.810 174.655 0.155 18375 1678 1 3 . 1 1 87 87 ASN CA C 87 54.520 54.520 52.519 2.001 18375 1679 1 3 . 1 1 87 87 ASN CB C 87 39.330 39.330 39.501 -0.171 18375 1680 1 3 . 1 1 87 87 ASN H H 87 8.250 8.250 8.640 -0.390 18375 1681 1 3 . 1 1 88 88 TYR N N 88 119.600 119.600 127.244 -7.644 18375 1682 1 3 . 1 1 88 88 TYR HA H 88 4.290 4.290 4.245 0.045 18375 1683 1 3 . 1 1 88 88 TYR C C 88 175.620 175.620 175.617 0.003 18375 1684 1 3 . 1 1 88 88 TYR CA C 88 60.720 60.720 60.446 0.274 18375 1685 1 3 . 1 1 88 88 TYR CB C 88 41.430 41.430 39.713 1.717 18375 1686 1 3 . 1 1 88 88 TYR H H 88 8.940 8.940 7.819 1.121 18375 1687 1 3 . 1 1 89 89 SER N N 89 113.120 113.120 115.106 -1.986 18375 1688 1 3 . 1 1 89 89 SER HA H 89 4.320 4.320 4.263 0.057 18375 1689 1 3 . 1 1 89 89 SER C C 89 174.860 174.860 174.559 0.301 18375 1690 1 3 . 1 1 89 89 SER CA C 89 58.690 58.690 59.713 -1.023 18375 1691 1 3 . 1 1 89 89 SER CB C 89 65.140 65.140 61.655 3.485 18375 1692 1 3 . 1 1 89 89 SER H H 89 8.060 8.060 8.345 -0.285 18375 1693 1 3 . 1 1 90 90 GLY N N 90 110.450 110.450 112.880 -2.430 18375 1694 1 3 . 1 1 90 90 GLY C C 90 174.680 174.680 173.279 1.401 18375 1695 1 3 . 1 1 90 90 GLY CA C 90 45.950 45.950 45.477 0.473 18375 1696 1 3 . 1 1 90 90 GLY H H 90 8.180 8.180 7.744 0.436 18375 1697 1 3 . 1 1 91 91 GLY N N 91 108.710 108.710 111.812 -3.102 18375 1698 1 3 . 1 1 91 91 GLY CA C 91 45.880 45.880 43.188 2.692 18375 1699 1 3 . 1 1 91 91 GLY H H 91 8.330 8.330 8.815 -0.485 18375 1700 1 3 . 1 1 92 92 PRO HA H 92 4.040 4.040 3.946 0.094 18375 1701 1 3 . 1 1 92 92 PRO C C 92 177.930 177.930 176.674 1.256 18375 1702 1 3 . 1 1 92 92 PRO CA C 92 64.710 64.710 63.579 1.131 18375 1703 1 3 . 1 1 92 92 PRO CB C 92 32.690 32.690 31.315 1.375 18375 1704 1 3 . 1 1 93 93 PHE N N 93 113.220 113.220 117.145 -3.925 18375 1705 1 3 . 1 1 93 93 PHE HA H 93 4.480 4.480 4.116 0.364 18375 1706 1 3 . 1 1 93 93 PHE C C 93 174.490 174.490 175.614 -1.124 18375 1707 1 3 . 1 1 93 93 PHE CA C 93 62.890 62.890 59.238 3.652 18375 1708 1 3 . 1 1 93 93 PHE CB C 93 37.410 37.410 36.961 0.449 18375 1709 1 3 . 1 1 93 93 PHE H H 93 8.350 8.350 7.963 0.387 18375 1710 1 3 . 1 1 94 94 SER N N 94 115.680 115.680 117.666 -1.986 18375 1711 1 3 . 1 1 94 94 SER HA H 94 4.620 4.620 4.481 0.139 18375 1712 1 3 . 1 1 94 94 SER C C 94 174.290 174.290 174.556 -0.266 18375 1713 1 3 . 1 1 94 94 SER CA C 94 59.150 59.150 58.827 0.323 18375 1714 1 3 . 1 1 94 94 SER CB C 94 64.690 64.690 62.355 2.335 18375 1715 1 3 . 1 1 94 94 SER H H 94 7.980 7.980 8.103 -0.123 18375 1716 1 3 . 1 1 95 95 VAL N N 95 112.520 112.520 125.996 -13.476 18375 1717 1 3 . 1 1 95 95 VAL HA H 95 4.830 4.830 4.050 0.780 18375 1718 1 3 . 1 1 95 95 VAL C C 95 175.770 175.770 174.970 0.800 18375 1719 1 3 . 1 1 95 95 VAL CA C 95 62.520 62.520 62.607 -0.087 18375 1720 1 3 . 1 1 95 95 VAL CB C 95 34.010 34.010 31.820 2.190 18375 1721 1 3 . 1 1 95 95 VAL H H 95 8.840 8.840 7.778 1.062 18375 1722 1 3 . 1 1 96 96 SER N N 96 122.260 122.260 123.447 -1.187 18375 1723 1 3 . 1 1 96 96 SER HA H 96 4.810 4.810 4.497 0.313 18375 1724 1 3 . 1 1 96 96 SER C C 96 172.250 172.250 173.581 -1.331 18375 1725 1 3 . 1 1 96 96 SER CA C 96 58.080 58.080 58.500 -0.420 18375 1726 1 3 . 1 1 96 96 SER CB C 96 66.590 66.590 63.981 2.609 18375 1727 1 3 . 1 1 96 96 SER H H 96 9.190 9.190 7.880 1.310 18375 1728 1 3 . 1 1 97 97 SER N N 97 112.810 112.810 121.998 -9.188 18375 1729 1 3 . 1 1 97 97 SER HA H 97 5.620 5.620 5.143 0.477 18375 1730 1 3 . 1 1 97 97 SER C C 97 174.130 174.130 173.929 0.201 18375 1731 1 3 . 1 1 97 97 SER CA C 97 57.260 57.260 56.928 0.332 18375 1732 1 3 . 1 1 97 97 SER CB C 97 66.740 66.740 64.007 2.733 18375 1733 1 3 . 1 1 97 97 SER H H 97 8.290 8.290 8.484 -0.194 18375 1734 1 3 . 1 1 98 98 ARG N N 98 122.640 122.640 124.629 -1.989 18375 1735 1 3 . 1 1 98 98 ARG HA H 98 4.650 4.650 4.457 0.193 18375 1736 1 3 . 1 1 98 98 ARG C C 98 174.030 174.030 175.285 -1.255 18375 1737 1 3 . 1 1 98 98 ARG CA C 98 56.640 56.640 55.037 1.603 18375 1738 1 3 . 1 1 98 98 ARG CB C 98 36.240 36.240 32.010 4.230 18375 1739 1 3 . 1 1 98 98 ARG H H 98 8.380 8.380 8.187 0.193 18375 1740 1 3 . 1 1 99 99 THR N N 99 118.220 118.220 120.519 -2.299 18375 1741 1 3 . 1 1 99 99 THR HA H 99 5.280 5.280 4.778 0.502 18375 1742 1 3 . 1 1 99 99 THR C C 99 173.930 173.930 174.029 -0.099 18375 1743 1 3 . 1 1 99 99 THR CA C 99 62.820 62.820 62.107 0.713 18375 1744 1 3 . 1 1 99 99 THR CB C 99 71.360 71.360 68.761 2.599 18375 1745 1 3 . 1 1 99 99 THR H H 99 8.650 8.650 8.426 0.224 18375 1746 1 3 . 1 1 100 100 ILE N N 100 112.130 112.130 129.662 -17.532 18375 1747 1 3 . 1 1 100 100 ILE HA H 100 4.290 4.290 4.172 0.118 18375 1748 1 3 . 1 1 100 100 ILE C C 100 175.190 175.190 176.038 -0.848 18375 1749 1 3 . 1 1 100 100 ILE CA C 100 60.340 60.340 59.005 1.335 18375 1750 1 3 . 1 1 100 100 ILE CB C 100 40.390 40.390 36.250 4.140 18375 1751 1 3 . 1 1 100 100 ILE H H 100 9.560 9.560 8.597 0.963 18375 1752 1 3 . 1 1 101 101 SER N N 101 121.940 121.940 124.489 -2.549 18375 1753 1 3 . 1 1 101 101 SER HA H 101 4.120 4.120 4.337 -0.217 18375 1754 1 3 . 1 1 101 101 SER C C 101 174.230 174.230 175.506 -1.276 18375 1755 1 3 . 1 1 101 101 SER CA C 101 59.450 59.450 59.626 -0.176 18375 1756 1 3 . 1 1 101 101 SER CB C 101 65.410 65.410 63.612 1.798 18375 1757 1 3 . 1 1 101 101 SER H H 101 8.860 8.860 8.543 0.317 18375 1758 1 3 . 1 1 102 102 ALA N N 102 123.870 123.870 128.436 -4.566 18375 1759 1 3 . 1 1 102 102 ALA HA H 102 3.910 3.910 3.942 -0.032 18375 1760 1 3 . 1 1 102 102 ALA C C 102 170.440 170.440 179.045 -8.605 18375 1761 1 3 . 1 1 102 102 ALA CA C 102 56.360 56.360 55.558 0.802 18375 1762 1 3 . 1 1 102 102 ALA CB C 102 19.430 19.430 18.474 0.956 18375 1763 1 3 . 1 1 102 102 ALA H H 102 8.860 8.860 8.962 -0.102 18375 1764 1 3 . 1 1 103 103 SER N N 103 109.980 109.980 112.953 -2.973 18375 1765 1 3 . 1 1 103 103 SER HA H 103 4.200 4.200 4.168 0.032 18375 1766 1 3 . 1 1 103 103 SER C C 103 176.050 176.050 175.841 0.209 18375 1767 1 3 . 1 1 103 103 SER CA C 103 61.680 61.680 60.936 0.744 18375 1768 1 3 . 1 1 103 103 SER CB C 103 63.640 63.640 62.714 0.926 18375 1769 1 3 . 1 1 103 103 SER H H 103 8.180 8.180 8.299 -0.119 18375 1770 1 3 . 1 1 104 104 GLU N N 104 121.250 121.250 120.834 0.416 18375 1771 1 3 . 1 1 104 104 GLU HA H 104 4.260 4.260 3.914 0.346 18375 1772 1 3 . 1 1 104 104 GLU C C 104 178.240 178.240 177.578 0.662 18375 1773 1 3 . 1 1 104 104 GLU CA C 104 57.960 57.960 58.098 -0.138 18375 1774 1 3 . 1 1 104 104 GLU CB C 104 32.210 32.210 29.768 2.442 18375 1775 1 3 . 1 1 104 104 GLU H H 104 7.560 7.560 7.522 0.038 18375 1776 1 3 . 1 1 105 105 ALA N N 105 121.520 121.520 122.490 -0.970 18375 1777 1 3 . 1 1 105 105 ALA HA H 105 4.060 4.060 4.230 -0.170 18375 1778 1 3 . 1 1 105 105 ALA C C 105 170.230 170.230 179.990 -9.760 18375 1779 1 3 . 1 1 105 105 ALA CA C 105 57.080 57.080 54.490 2.590 18375 1780 1 3 . 1 1 105 105 ALA CB C 105 19.320 19.320 18.460 0.860 18375 1781 1 3 . 1 1 105 105 ALA H H 105 8.280 8.280 8.395 -0.115 18375 1782 1 3 . 1 1 106 106 GLY N N 106 121.950 121.950 105.217 16.733 18375 1783 1 3 . 1 1 106 106 GLY C C 106 174.110 174.110 173.106 1.004 18375 1784 1 3 . 1 1 106 106 GLY CA C 106 46.780 46.780 44.991 1.789 18375 1785 1 3 . 1 1 106 106 GLY H H 106 8.360 8.360 8.116 0.244 18375 1786 1 3 . 1 1 107 107 ASN N N 107 117.130 117.130 117.616 -0.486 18375 1787 1 3 . 1 1 107 107 ASN HA H 107 4.480 4.480 4.524 -0.043 18375 1788 1 3 . 1 1 107 107 ASN C C 107 175.110 175.110 174.625 0.485 18375 1789 1 3 . 1 1 107 107 ASN CA C 107 54.220 54.220 53.219 1.000 18375 1790 1 3 . 1 1 107 107 ASN CB C 107 38.890 38.890 39.994 -1.104 18375 1791 1 3 . 1 1 107 107 ASN H H 107 7.830 7.830 7.647 0.183 18375 1792 1 3 . 1 1 108 108 TYR N N 108 117.300 117.300 120.420 -3.120 18375 1793 1 3 . 1 1 108 108 TYR HA H 108 4.620 4.620 4.543 0.077 18375 1794 1 3 . 1 1 108 108 TYR C C 108 174.810 174.810 176.062 -1.252 18375 1795 1 3 . 1 1 108 108 TYR CA C 108 58.700 58.700 59.161 -0.461 18375 1796 1 3 . 1 1 108 108 TYR CB C 108 41.260 41.260 37.505 3.755 18375 1797 1 3 . 1 1 108 108 TYR H H 108 7.020 7.020 7.737 -0.717 18375 1798 1 3 . 1 1 109 109 ASN N N 109 117.260 117.260 122.405 -5.145 18375 1799 1 3 . 1 1 109 109 ASN HA H 109 5.020 5.020 5.018 0.002 18375 1800 1 3 . 1 1 109 109 ASN C C 109 173.590 173.590 174.476 -0.886 18375 1801 1 3 . 1 1 109 109 ASN CA C 109 53.140 53.140 53.448 -0.308 18375 1802 1 3 . 1 1 109 109 ASN CB C 109 41.590 41.590 39.565 2.025 18375 1803 1 3 . 1 1 109 109 ASN H H 109 7.910 7.910 8.318 -0.408 18375 1804 1 3 . 1 1 110 110 TYR N N 110 117.410 117.410 119.857 -2.447 18375 1805 1 3 . 1 1 110 110 TYR HA H 110 5.300 5.300 5.010 0.290 18375 1806 1 3 . 1 1 110 110 TYR C C 110 174.450 174.450 174.199 0.251 18375 1807 1 3 . 1 1 110 110 TYR CA C 110 57.740 57.740 54.703 3.037 18375 1808 1 3 . 1 1 110 110 TYR CB C 110 41.580 41.580 40.851 0.729 18375 1809 1 3 . 1 1 110 110 TYR H H 110 9.340 9.340 8.770 0.570 18375 1810 1 3 . 1 1 111 111 ILE N N 111 123.080 123.080 117.439 5.641 18375 1811 1 3 . 1 1 111 111 ILE HA H 111 4.360 4.360 4.679 -0.319 18375 1812 1 3 . 1 1 111 111 ILE C C 111 175.250 175.250 174.309 0.941 18375 1813 1 3 . 1 1 111 111 ILE CA C 111 61.530 61.530 59.547 1.983 18375 1814 1 3 . 1 1 111 111 ILE CB C 111 40.560 40.560 39.467 1.093 18375 1815 1 3 . 1 1 111 111 ILE H H 111 9.320 9.320 8.366 0.954 18375 1816 1 3 . 1 1 112 112 HIS N N 112 109.020 109.020 126.656 -17.636 18375 1817 1 3 . 1 1 112 112 HIS HA H 112 4.560 4.560 4.641 -0.081 18375 1818 1 3 . 1 1 112 112 HIS C C 112 173.980 173.980 174.758 -0.778 18375 1819 1 3 . 1 1 112 112 HIS CA C 112 57.550 57.550 55.712 1.838 18375 1820 1 3 . 1 1 112 112 HIS CB C 112 31.350 31.350 33.014 -1.664 18375 1821 1 3 . 1 1 112 112 HIS H H 112 8.710 8.710 8.813 -0.103 18375 1822 1 4 . 1 1 3 3 SER HA H 3 4.510 4.510 4.794 -0.284 18375 1823 1 4 . 1 1 3 3 SER C C 3 174.460 174.460 172.999 1.461 18375 1824 1 4 . 1 1 3 3 SER CA C 3 59.400 59.400 57.904 1.496 18375 1825 1 4 . 1 1 3 3 SER CB C 3 64.820 64.820 64.398 0.422 18375 1826 1 4 . 1 1 4 4 ILE N N 4 121.890 121.890 123.877 -1.987 18375 1827 1 4 . 1 1 4 4 ILE HA H 4 4.210 4.210 4.438 -0.228 18375 1828 1 4 . 1 1 4 4 ILE C C 4 176.040 176.040 175.626 0.414 18375 1829 1 4 . 1 1 4 4 ILE CA C 4 62.180 62.180 61.764 0.416 18375 1830 1 4 . 1 1 4 4 ILE CB C 4 39.930 39.930 38.198 1.732 18375 1831 1 4 . 1 1 4 4 ILE H H 4 8.180 8.180 8.573 -0.393 18375 1832 1 4 . 1 1 5 5 SER N N 5 119.230 119.230 121.833 -2.603 18375 1833 1 4 . 1 1 5 5 SER C C 5 174.290 174.290 174.008 0.282 18375 1834 1 4 . 1 1 5 5 SER CA C 5 59.140 59.140 58.933 0.207 18375 1835 1 4 . 1 1 5 5 SER CB C 5 64.930 64.930 64.776 0.154 18375 1836 1 4 . 1 1 5 5 SER H H 5 8.270 8.270 9.085 -0.815 18375 1837 1 4 . 1 1 6 6 HIS HA H 6 4.650 4.650 4.838 -0.188 18375 1838 1 4 . 1 1 6 6 HIS CA C 6 57.240 57.240 56.698 0.542 18375 1839 1 4 . 1 1 6 6 HIS CB C 6 31.150 31.150 30.604 0.546 18375 1840 1 4 . 1 1 7 7 SER N N 7 117.260 117.260 121.009 -3.749 18375 1841 1 4 . 1 1 7 7 SER HA H 7 4.430 4.430 4.514 -0.084 18375 1842 1 4 . 1 1 7 7 SER C C 7 174.890 174.890 175.069 -0.179 18375 1843 1 4 . 1 1 7 7 SER CA C 7 59.750 59.750 58.526 1.224 18375 1844 1 4 . 1 1 7 7 SER CB C 7 64.890 64.890 64.131 0.759 18375 1845 1 4 . 1 1 7 7 SER H H 7 8.360 8.360 8.475 -0.115 18375 1846 1 4 . 1 1 8 8 GLY N N 8 110.140 110.140 107.975 2.165 18375 1847 1 4 . 1 1 8 8 GLY C C 8 173.340 173.340 172.454 0.886 18375 1848 1 4 . 1 1 8 8 GLY CA C 8 45.920 45.920 44.741 1.179 18375 1849 1 4 . 1 1 8 8 GLY H H 8 8.500 8.500 8.173 0.327 18375 1850 1 4 . 1 1 9 9 ASN N N 9 118.840 118.840 116.290 2.550 18375 1851 1 4 . 1 1 9 9 ASN HA H 9 3.430 3.430 5.060 -1.630 18375 1852 1 4 . 1 1 9 9 ASN C C 9 175.460 175.460 175.716 -0.256 18375 1853 1 4 . 1 1 9 9 ASN CA C 9 53.400 53.400 51.064 2.336 18375 1854 1 4 . 1 1 9 9 ASN CB C 9 38.780 38.780 40.422 -1.641 18375 1855 1 4 . 1 1 9 9 ASN H H 9 8.280 8.280 7.748 0.532 18375 1856 1 4 . 1 1 10 10 LEU N N 10 125.560 125.560 125.413 0.147 18375 1857 1 4 . 1 1 10 10 LEU HA H 10 4.250 4.250 4.077 0.173 18375 1858 1 4 . 1 1 10 10 LEU C C 10 177.320 177.320 177.140 0.180 18375 1859 1 4 . 1 1 10 10 LEU CA C 10 55.080 55.080 55.970 -0.890 18375 1860 1 4 . 1 1 10 10 LEU CB C 10 42.110 42.110 42.090 0.020 18375 1861 1 4 . 1 1 10 10 LEU H H 10 6.850 6.850 8.251 -1.401 18375 1862 1 4 . 1 1 11 11 TYR N N 11 120.920 120.920 117.678 3.242 18375 1863 1 4 . 1 1 11 11 TYR HA H 11 4.350 4.350 4.595 -0.245 18375 1864 1 4 . 1 1 11 11 TYR C C 11 174.800 174.800 177.289 -2.489 18375 1865 1 4 . 1 1 11 11 TYR CA C 11 60.200 60.200 58.117 2.083 18375 1866 1 4 . 1 1 11 11 TYR CB C 11 38.520 38.520 40.090 -1.570 18375 1867 1 4 . 1 1 11 11 TYR H H 11 7.680 7.680 7.608 0.072 18375 1868 1 4 . 1 1 12 12 THR N N 12 118.320 118.320 116.057 2.263 18375 1869 1 4 . 1 1 12 12 THR HA H 12 3.680 3.680 4.035 -0.355 18375 1870 1 4 . 1 1 12 12 THR C C 12 173.180 173.180 173.351 -0.171 18375 1871 1 4 . 1 1 12 12 THR CA C 12 65.310 65.310 64.906 0.404 18375 1872 1 4 . 1 1 12 12 THR CB C 12 70.080 70.080 69.059 1.021 18375 1873 1 4 . 1 1 12 12 THR H H 12 8.320 8.320 8.396 -0.076 18375 1874 1 4 . 1 1 13 13 ALA N N 13 111.540 111.540 121.264 -9.724 18375 1875 1 4 . 1 1 13 13 ALA HA H 13 3.690 3.690 3.212 0.478 18375 1876 1 4 . 1 1 13 13 ALA CA C 13 53.700 53.700 51.574 2.126 18375 1877 1 4 . 1 1 13 13 ALA H H 13 8.150 8.150 7.360 0.790 18375 1878 1 4 . 1 1 14 14 GLY N N 14 109.410 109.410 107.744 1.666 18375 1879 1 4 . 1 1 14 14 GLY C C 14 173.310 173.310 174.243 -0.933 18375 1880 1 4 . 1 1 14 14 GLY CA C 14 44.150 44.150 44.833 -0.682 18375 1881 1 4 . 1 1 14 14 GLY H H 14 4.990 4.990 6.308 -1.318 18375 1882 1 4 . 1 1 15 15 GLN N N 15 115.720 115.720 117.135 -1.415 18375 1883 1 4 . 1 1 15 15 GLN HA H 15 4.410 4.410 4.380 0.030 18375 1884 1 4 . 1 1 15 15 GLN C C 15 176.310 176.310 177.177 -0.867 18375 1885 1 4 . 1 1 15 15 GLN CA C 15 55.570 55.570 55.313 0.257 18375 1886 1 4 . 1 1 15 15 GLN CB C 15 31.180 31.180 30.106 1.074 18375 1887 1 4 . 1 1 15 15 GLN H H 15 7.170 7.170 7.818 -0.648 18375 1888 1 4 . 1 1 16 16 CYS N N 16 118.020 118.020 117.425 0.595 18375 1889 1 4 . 1 1 16 16 CYS HA H 16 4.590 4.590 4.623 -0.033 18375 1890 1 4 . 1 1 16 16 CYS C C 16 176.730 176.730 177.158 -0.428 18375 1891 1 4 . 1 1 16 16 CYS CA C 16 61.050 61.050 61.751 -0.701 18375 1892 1 4 . 1 1 16 16 CYS CB C 16 28.600 28.600 28.160 0.440 18375 1893 1 4 . 1 1 16 16 CYS H H 16 9.300 9.300 9.078 0.222 18375 1894 1 4 . 1 1 17 17 THR N N 17 113.910 113.910 113.092 0.818 18375 1895 1 4 . 1 1 17 17 THR HA H 17 3.180 3.180 4.265 -1.085 18375 1896 1 4 . 1 1 17 17 THR C C 17 174.260 174.260 176.158 -1.898 18375 1897 1 4 . 1 1 17 17 THR CA C 17 62.800 62.800 65.231 -2.431 18375 1898 1 4 . 1 1 17 17 THR CB C 17 69.000 69.000 68.304 0.696 18375 1899 1 4 . 1 1 17 17 THR H H 17 7.300 7.300 8.412 -1.112 18375 1900 1 4 . 1 1 18 18 TRP N N 18 123.650 123.650 124.751 -1.101 18375 1901 1 4 . 1 1 18 18 TRP HA H 18 4.380 4.380 4.567 -0.187 18375 1902 1 4 . 1 1 18 18 TRP C C 18 177.910 177.910 177.453 0.457 18375 1903 1 4 . 1 1 18 18 TRP CA C 18 61.600 61.600 61.444 0.156 18375 1904 1 4 . 1 1 18 18 TRP CB C 18 31.320 31.320 29.571 1.749 18375 1905 1 4 . 1 1 18 18 TRP H H 18 6.640 6.640 7.568 -0.928 18375 1906 1 4 . 1 1 19 19 TYR N N 19 115.660 115.660 119.778 -4.118 18375 1907 1 4 . 1 1 19 19 TYR HA H 19 4.120 4.120 4.237 -0.117 18375 1908 1 4 . 1 1 19 19 TYR C C 19 177.170 177.170 177.638 -0.468 18375 1909 1 4 . 1 1 19 19 TYR CA C 19 61.370 61.370 61.894 -0.524 18375 1910 1 4 . 1 1 19 19 TYR CB C 19 42.110 42.110 38.462 3.648 18375 1911 1 4 . 1 1 19 19 TYR H H 19 7.680 7.680 8.834 -1.154 18375 1912 1 4 . 1 1 20 20 VAL N N 20 116.740 116.740 119.775 -3.035 18375 1913 1 4 . 1 1 20 20 VAL HA H 20 3.030 3.030 3.421 -0.391 18375 1914 1 4 . 1 1 20 20 VAL C C 20 176.410 176.410 177.908 -1.498 18375 1915 1 4 . 1 1 20 20 VAL CA C 20 68.360 68.360 67.136 1.224 18375 1916 1 4 . 1 1 20 20 VAL CB C 20 32.210 32.210 31.896 0.314 18375 1917 1 4 . 1 1 20 20 VAL H H 20 7.450 7.450 7.768 -0.318 18375 1918 1 4 . 1 1 21 21 TYR N N 21 118.550 118.550 121.207 -2.657 18375 1919 1 4 . 1 1 21 21 TYR HA H 21 3.560 3.560 4.234 -0.674 18375 1920 1 4 . 1 1 21 21 TYR C C 21 176.490 176.490 177.196 -0.706 18375 1921 1 4 . 1 1 21 21 TYR CA C 21 63.990 63.990 61.070 2.920 18375 1922 1 4 . 1 1 21 21 TYR CB C 21 38.970 38.970 38.422 0.548 18375 1923 1 4 . 1 1 21 21 TYR H H 21 8.370 8.370 8.403 -0.033 18375 1924 1 4 . 1 1 22 22 ASP N N 22 115.760 115.760 118.011 -2.251 18375 1925 1 4 . 1 1 22 22 ASP HA H 22 4.260 4.260 3.969 0.291 18375 1926 1 4 . 1 1 22 22 ASP C C 22 169.690 169.690 178.800 -9.110 18375 1927 1 4 . 1 1 22 22 ASP CA C 22 58.010 58.010 57.230 0.780 18375 1928 1 4 . 1 1 22 22 ASP CB C 22 41.770 41.770 40.490 1.280 18375 1929 1 4 . 1 1 22 22 ASP H H 22 6.880 6.880 8.002 -1.122 18375 1930 1 4 . 1 1 23 23 LYS N N 23 121.790 121.790 119.419 2.371 18375 1931 1 4 . 1 1 23 23 LYS HA H 23 3.610 3.610 3.770 -0.160 18375 1932 1 4 . 1 1 23 23 LYS C C 23 178.360 178.360 178.363 -0.003 18375 1933 1 4 . 1 1 23 23 LYS CA C 23 57.990 57.990 58.093 -0.103 18375 1934 1 4 . 1 1 23 23 LYS CB C 23 31.350 31.350 31.477 -0.127 18375 1935 1 4 . 1 1 23 23 LYS H H 23 7.820 7.820 7.582 0.238 18375 1936 1 4 . 1 1 24 24 VAL N N 24 108.790 108.790 112.282 -3.492 18375 1937 1 4 . 1 1 24 24 VAL HA H 24 4.390 4.390 4.126 0.264 18375 1938 1 4 . 1 1 24 24 VAL C C 24 176.840 176.840 176.285 0.555 18375 1939 1 4 . 1 1 24 24 VAL CA C 24 61.430 61.430 61.989 -0.559 18375 1940 1 4 . 1 1 24 24 VAL CB C 24 31.690 31.690 31.540 0.150 18375 1941 1 4 . 1 1 24 24 VAL H H 24 7.590 7.590 7.444 0.146 18375 1942 1 4 . 1 1 25 25 GLY N N 25 110.620 110.620 108.315 2.305 18375 1943 1 4 . 1 1 25 25 GLY C C 25 175.510 175.510 175.086 0.424 18375 1944 1 4 . 1 1 25 25 GLY CA C 25 47.110 47.110 45.011 2.099 18375 1945 1 4 . 1 1 25 25 GLY H H 25 7.680 7.680 7.463 0.217 18375 1946 1 4 . 1 1 26 26 GLY N N 26 122.410 122.410 107.193 15.217 18375 1947 1 4 . 1 1 26 26 GLY C C 26 174.470 174.470 174.632 -0.162 18375 1948 1 4 . 1 1 26 26 GLY CA C 26 46.440 46.440 44.697 1.744 18375 1949 1 4 . 1 1 26 26 GLY H H 26 7.870 7.870 7.822 0.048 18375 1950 1 4 . 1 1 27 27 GLU N N 27 116.720 116.720 118.997 -2.277 18375 1951 1 4 . 1 1 27 27 GLU HA H 27 4.150 4.150 4.157 -0.007 18375 1952 1 4 . 1 1 27 27 GLU C C 27 175.810 175.810 175.838 -0.028 18375 1953 1 4 . 1 1 27 27 GLU CA C 27 58.110 58.110 57.496 0.614 18375 1954 1 4 . 1 1 27 27 GLU CB C 27 30.500 30.500 30.260 0.240 18375 1955 1 4 . 1 1 27 27 GLU H H 27 6.650 6.650 7.794 -1.144 18375 1956 1 4 . 1 1 28 28 ILE N N 28 125.210 125.210 117.826 7.384 18375 1957 1 4 . 1 1 28 28 ILE HA H 28 4.040 4.040 4.238 -0.198 18375 1958 1 4 . 1 1 28 28 ILE CA C 28 60.160 60.160 60.461 -0.301 18375 1959 1 4 . 1 1 28 28 ILE CB C 28 40.940 40.940 38.651 2.289 18375 1960 1 4 . 1 1 28 28 ILE H H 28 6.330 6.330 7.321 -0.991 18375 1961 1 4 . 1 1 29 29 GLY C C 29 174.050 174.050 174.017 0.033 18375 1962 1 4 . 1 1 29 29 GLY CA C 29 46.190 46.190 45.244 0.946 18375 1963 1 4 . 1 1 30 30 SER N N 30 115.530 115.530 114.878 0.652 18375 1964 1 4 . 1 1 30 30 SER HA H 30 4.140 4.140 4.024 0.116 18375 1965 1 4 . 1 1 30 30 SER C C 30 174.000 174.000 173.907 0.093 18375 1966 1 4 . 1 1 30 30 SER CA C 30 60.180 60.180 58.489 1.691 18375 1967 1 4 . 1 1 30 30 SER CB C 30 65.150 65.150 62.081 3.069 18375 1968 1 4 . 1 1 30 30 SER H H 30 8.540 8.540 8.462 0.078 18375 1969 1 4 . 1 1 31 31 THR N N 31 124.440 124.440 115.042 9.398 18375 1970 1 4 . 1 1 31 31 THR HA H 31 4.460 4.460 4.317 0.143 18375 1971 1 4 . 1 1 31 31 THR C C 31 175.390 175.390 174.150 1.240 18375 1972 1 4 . 1 1 31 31 THR CA C 31 61.350 61.350 62.602 -1.252 18375 1973 1 4 . 1 1 31 31 THR CB C 31 69.190 69.190 69.121 0.069 18375 1974 1 4 . 1 1 31 31 THR H H 31 7.070 7.070 7.799 -0.729 18375 1975 1 4 . 1 1 32 32 TRP N N 32 121.120 121.120 122.726 -1.606 18375 1976 1 4 . 1 1 32 32 TRP HA H 32 4.470 4.470 4.394 0.076 18375 1977 1 4 . 1 1 32 32 TRP C C 32 175.720 175.720 176.899 -1.179 18375 1978 1 4 . 1 1 32 32 TRP CA C 32 57.500 57.500 56.710 0.790 18375 1979 1 4 . 1 1 32 32 TRP CB C 32 28.670 28.670 28.656 0.014 18375 1980 1 4 . 1 1 32 32 TRP H H 32 7.750 7.750 6.987 0.763 18375 1981 1 4 . 1 1 33 33 GLY N N 33 125.330 125.330 109.534 15.796 18375 1982 1 4 . 1 1 33 33 GLY C C 33 175.520 175.520 173.412 2.108 18375 1983 1 4 . 1 1 33 33 GLY CA C 33 46.390 46.390 45.705 0.685 18375 1984 1 4 . 1 1 33 33 GLY H H 33 8.580 8.580 8.199 0.381 18375 1985 1 4 . 1 1 34 34 ASN N N 34 118.870 118.870 120.506 -1.636 18375 1986 1 4 . 1 1 34 34 ASN HA H 34 4.720 4.720 5.198 -0.478 18375 1987 1 4 . 1 1 34 34 ASN C C 34 175.710 175.710 176.370 -0.660 18375 1988 1 4 . 1 1 34 34 ASN CA C 34 54.630 54.630 51.402 3.228 18375 1989 1 4 . 1 1 34 34 ASN CB C 34 40.050 40.050 40.863 -0.813 18375 1990 1 4 . 1 1 34 34 ASN H H 34 8.780 8.780 8.196 0.584 18375 1991 1 4 . 1 1 35 35 ALA N N 35 121.960 121.960 123.600 -1.640 18375 1992 1 4 . 1 1 35 35 ALA HA H 35 2.920 2.920 3.367 -0.447 18375 1993 1 4 . 1 1 35 35 ALA C C 35 169.710 169.710 178.800 -9.090 18375 1994 1 4 . 1 1 35 35 ALA CA C 35 55.950 55.950 55.263 0.687 18375 1995 1 4 . 1 1 35 35 ALA CB C 35 20.460 20.460 18.596 1.863 18375 1996 1 4 . 1 1 35 35 ALA H H 35 8.750 8.750 9.040 -0.290 18375 1997 1 4 . 1 1 36 36 ASN N N 36 114.940 114.940 115.473 -0.533 18375 1998 1 4 . 1 1 36 36 ASN HA H 36 4.170 4.170 4.645 -0.475 18375 1999 1 4 . 1 1 36 36 ASN C C 36 175.200 175.200 175.694 -0.494 18375 2000 1 4 . 1 1 36 36 ASN CA C 36 55.930 55.930 54.273 1.657 18375 2001 1 4 . 1 1 36 36 ASN CB C 36 36.690 36.690 38.363 -1.673 18375 2002 1 4 . 1 1 36 36 ASN H H 36 8.410 8.410 8.262 0.148 18375 2003 1 4 . 1 1 37 37 ASN N N 37 120.180 120.180 117.694 2.486 18375 2004 1 4 . 1 1 37 37 ASN HA H 37 5.060 5.060 5.030 0.030 18375 2005 1 4 . 1 1 37 37 ASN C C 37 176.530 176.530 175.325 1.205 18375 2006 1 4 . 1 1 37 37 ASN CA C 37 54.250 54.250 52.197 2.053 18375 2007 1 4 . 1 1 37 37 ASN CB C 37 41.720 41.720 39.159 2.561 18375 2008 1 4 . 1 1 37 37 ASN H H 37 8.850 8.850 8.109 0.741 18375 2009 1 4 . 1 1 38 38 TRP N N 38 118.410 118.410 123.431 -5.021 18375 2010 1 4 . 1 1 38 38 TRP HA H 38 4.190 4.190 4.299 -0.109 18375 2011 1 4 . 1 1 38 38 TRP C C 38 177.390 177.390 178.064 -0.674 18375 2012 1 4 . 1 1 38 38 TRP CA C 38 63.450 63.450 62.689 0.761 18375 2013 1 4 . 1 1 38 38 TRP CB C 38 29.680 29.680 28.813 0.867 18375 2014 1 4 . 1 1 38 38 TRP H H 38 8.240 8.240 7.920 0.320 18375 2015 1 4 . 1 1 39 39 ALA N N 39 118.400 118.400 120.872 -2.472 18375 2016 1 4 . 1 1 39 39 ALA HA H 39 3.770 3.770 3.954 -0.184 18375 2017 1 4 . 1 1 39 39 ALA C C 39 178.580 178.580 179.642 -1.062 18375 2018 1 4 . 1 1 39 39 ALA CA C 39 56.760 56.760 55.710 1.050 18375 2019 1 4 . 1 1 39 39 ALA CB C 39 18.020 18.020 17.412 0.608 18375 2020 1 4 . 1 1 39 39 ALA H H 39 7.150 7.150 8.879 -1.729 18375 2021 1 4 . 1 1 40 40 ALA N N 40 121.830 121.830 121.370 0.460 18375 2022 1 4 . 1 1 40 40 ALA HA H 40 3.990 3.990 4.112 -0.122 18375 2023 1 4 . 1 1 40 40 ALA C C 40 171.320 171.320 179.514 -8.194 18375 2024 1 4 . 1 1 40 40 ALA CA C 40 55.610 55.610 54.339 1.271 18375 2025 1 4 . 1 1 40 40 ALA CB C 40 18.840 18.840 18.196 0.644 18375 2026 1 4 . 1 1 40 40 ALA H H 40 8.060 8.060 7.949 0.111 18375 2027 1 4 . 1 1 41 41 ALA N N 41 122.200 122.200 120.180 2.020 18375 2028 1 4 . 1 1 41 41 ALA HA H 41 3.630 3.630 3.974 -0.344 18375 2029 1 4 . 1 1 41 41 ALA C C 41 170.110 170.110 179.087 -8.977 18375 2030 1 4 . 1 1 41 41 ALA CA C 41 55.240 55.240 54.444 0.796 18375 2031 1 4 . 1 1 41 41 ALA CB C 41 18.020 18.020 18.857 -0.837 18375 2032 1 4 . 1 1 41 41 ALA H H 41 8.250 8.250 7.932 0.318 18375 2033 1 4 . 1 1 42 42 ALA N N 42 119.600 119.600 120.936 -1.336 18375 2034 1 4 . 1 1 42 42 ALA HA H 42 3.270 3.270 3.258 0.012 18375 2035 1 4 . 1 1 42 42 ALA C C 42 170.160 170.160 179.574 -9.414 18375 2036 1 4 . 1 1 42 42 ALA CA C 42 55.480 55.480 54.580 0.900 18375 2037 1 4 . 1 1 42 42 ALA CB C 42 19.890 19.890 18.085 1.805 18375 2038 1 4 . 1 1 42 42 ALA H H 42 7.710 7.710 8.585 -0.875 18375 2039 1 4 . 1 1 43 43 GLN N N 43 118.750 118.750 117.608 1.142 18375 2040 1 4 . 1 1 43 43 GLN HA H 43 4.340 4.340 4.002 0.338 18375 2041 1 4 . 1 1 43 43 GLN C C 43 170.980 170.980 178.637 -7.657 18375 2042 1 4 . 1 1 43 43 GLN CA C 43 60.200 60.200 57.992 2.208 18375 2043 1 4 . 1 1 43 43 GLN CB C 43 29.710 29.710 28.802 0.907 18375 2044 1 4 . 1 1 43 43 GLN H H 43 7.880 7.880 7.898 -0.018 18375 2045 1 4 . 1 1 44 44 GLY N N 44 125.760 125.760 105.774 19.986 18375 2046 1 4 . 1 1 44 44 GLY C C 44 174.300 174.300 174.551 -0.251 18375 2047 1 4 . 1 1 44 44 GLY CA C 44 47.660 47.660 45.831 1.829 18375 2048 1 4 . 1 1 44 44 GLY H H 44 8.010 8.010 7.567 0.443 18375 2049 1 4 . 1 1 45 45 ALA N N 45 121.480 121.480 121.957 -0.477 18375 2050 1 4 . 1 1 45 45 ALA HA H 45 4.620 4.620 4.260 0.360 18375 2051 1 4 . 1 1 45 45 ALA C C 45 177.190 177.190 177.377 -0.187 18375 2052 1 4 . 1 1 45 45 ALA CA C 45 52.680 52.680 51.557 1.123 18375 2053 1 4 . 1 1 45 45 ALA CB C 45 20.560 20.560 19.137 1.423 18375 2054 1 4 . 1 1 45 45 ALA H H 45 7.540 7.540 7.163 0.377 18375 2055 1 4 . 1 1 46 46 GLY N N 46 123.690 123.690 106.837 16.853 18375 2056 1 4 . 1 1 46 46 GLY C C 46 174.980 174.980 174.287 0.693 18375 2057 1 4 . 1 1 46 46 GLY CA C 46 46.540 46.540 44.773 1.767 18375 2058 1 4 . 1 1 46 46 GLY H H 46 7.680 7.680 7.393 0.287 18375 2059 1 4 . 1 1 47 47 PHE N N 47 119.960 119.960 119.473 0.487 18375 2060 1 4 . 1 1 47 47 PHE HA H 47 4.620 4.620 4.408 0.212 18375 2061 1 4 . 1 1 47 47 PHE C C 47 176.120 176.120 176.523 -0.403 18375 2062 1 4 . 1 1 47 47 PHE CA C 47 59.000 59.000 55.246 3.754 18375 2063 1 4 . 1 1 47 47 PHE CB C 47 40.350 40.350 39.394 0.956 18375 2064 1 4 . 1 1 47 47 PHE H H 47 8.280 8.280 7.699 0.581 18375 2065 1 4 . 1 1 48 48 THR N N 48 120.680 120.680 119.411 1.269 18375 2066 1 4 . 1 1 48 48 THR HA H 48 4.190 4.190 4.434 -0.244 18375 2067 1 4 . 1 1 48 48 THR C C 48 173.000 173.000 172.852 0.148 18375 2068 1 4 . 1 1 48 48 THR CA C 48 65.150 65.150 62.106 3.044 18375 2069 1 4 . 1 1 48 48 THR CB C 48 70.530 70.530 68.501 2.029 18375 2070 1 4 . 1 1 48 48 THR H H 48 9.260 9.260 8.812 0.448 18375 2071 1 4 . 1 1 49 49 VAL N N 49 111.320 111.320 127.360 -16.040 18375 2072 1 4 . 1 1 49 49 VAL HA H 49 5.380 5.380 4.815 0.565 18375 2073 1 4 . 1 1 49 49 VAL C C 49 175.570 175.570 175.185 0.385 18375 2074 1 4 . 1 1 49 49 VAL CA C 49 61.510 61.510 61.092 0.418 18375 2075 1 4 . 1 1 49 49 VAL CB C 49 34.960 34.960 33.098 1.862 18375 2076 1 4 . 1 1 49 49 VAL H H 49 8.560 8.560 8.542 0.018 18375 2077 1 4 . 1 1 50 50 ASN N N 50 125.000 125.000 122.857 2.143 18375 2078 1 4 . 1 1 50 50 ASN HA H 50 4.800 4.800 5.065 -0.265 18375 2079 1 4 . 1 1 50 50 ASN C C 50 174.270 174.270 174.545 -0.275 18375 2080 1 4 . 1 1 50 50 ASN CA C 50 53.430 53.430 52.877 0.553 18375 2081 1 4 . 1 1 50 50 ASN CB C 50 39.100 39.100 40.867 -1.767 18375 2082 1 4 . 1 1 50 50 ASN H H 50 9.010 9.010 8.606 0.404 18375 2083 1 4 . 1 1 51 51 HIS N N 51 114.650 114.650 117.489 -2.839 18375 2084 1 4 . 1 1 51 51 HIS HA H 51 5.760 5.760 4.441 1.319 18375 2085 1 4 . 1 1 51 51 HIS C C 51 174.060 174.060 172.937 1.123 18375 2086 1 4 . 1 1 51 51 HIS CA C 51 56.360 56.360 56.756 -0.396 18375 2087 1 4 . 1 1 51 51 HIS CB C 51 29.980 29.980 26.831 3.149 18375 2088 1 4 . 1 1 51 51 HIS H H 51 8.550 8.550 8.163 0.387 18375 2089 1 4 . 1 1 52 52 THR N N 52 119.910 119.910 115.786 4.124 18375 2090 1 4 . 1 1 52 52 THR HA H 52 4.600 4.600 4.496 0.104 18375 2091 1 4 . 1 1 52 52 THR CA C 52 60.140 60.140 59.354 0.786 18375 2092 1 4 . 1 1 52 52 THR CB C 52 71.890 71.890 70.680 1.210 18375 2093 1 4 . 1 1 52 52 THR H H 52 8.500 8.500 7.580 0.920 18375 2094 1 4 . 1 1 53 53 PRO HA H 53 2.920 2.920 4.356 -1.436 18375 2095 1 4 . 1 1 53 53 PRO C C 53 175.410 175.410 175.814 -0.404 18375 2096 1 4 . 1 1 53 53 PRO CA C 53 62.460 62.460 62.931 -0.471 18375 2097 1 4 . 1 1 53 53 PRO CB C 53 33.410 33.410 32.085 1.325 18375 2098 1 4 . 1 1 54 54 SER N N 54 108.990 108.990 114.850 -5.860 18375 2099 1 4 . 1 1 54 54 SER HA H 54 4.300 4.300 4.540 -0.239 18375 2100 1 4 . 1 1 54 54 SER C C 54 172.380 172.380 172.886 -0.506 18375 2101 1 4 . 1 1 54 54 SER CA C 54 58.270 58.270 57.375 0.895 18375 2102 1 4 . 1 1 54 54 SER CB C 54 66.620 66.620 66.547 0.073 18375 2103 1 4 . 1 1 54 54 SER H H 54 6.000 6.000 8.074 -2.074 18375 2104 1 4 . 1 1 55 55 LYS N N 55 124.470 124.470 122.701 1.769 18375 2105 1 4 . 1 1 55 55 LYS HA H 55 3.500 3.500 3.839 -0.339 18375 2106 1 4 . 1 1 55 55 LYS C C 55 177.150 177.150 177.521 -0.371 18375 2107 1 4 . 1 1 55 55 LYS CA C 55 59.850 59.850 57.668 2.182 18375 2108 1 4 . 1 1 55 55 LYS CB C 55 33.010 33.010 31.992 1.018 18375 2109 1 4 . 1 1 55 55 LYS H H 55 8.860 8.860 8.627 0.233 18375 2110 1 4 . 1 1 56 56 GLY N N 56 116.710 116.710 114.211 2.499 18375 2111 1 4 . 1 1 56 56 GLY C C 56 173.430 173.430 173.535 -0.105 18375 2112 1 4 . 1 1 56 56 GLY CA C 56 45.600 45.600 44.886 0.714 18375 2113 1 4 . 1 1 56 56 GLY H H 56 8.950 8.950 8.806 0.144 18375 2114 1 4 . 1 1 57 57 ALA N N 57 118.940 118.940 121.967 -3.027 18375 2115 1 4 . 1 1 57 57 ALA HA H 57 4.630 4.630 4.866 -0.236 18375 2116 1 4 . 1 1 57 57 ALA C C 57 174.570 174.570 175.500 -0.930 18375 2117 1 4 . 1 1 57 57 ALA CA C 57 51.840 51.840 50.425 1.415 18375 2118 1 4 . 1 1 57 57 ALA CB C 57 20.960 20.960 21.601 -0.641 18375 2119 1 4 . 1 1 57 57 ALA H H 57 7.420 7.420 7.765 -0.345 18375 2120 1 4 . 1 1 58 58 ILE N N 58 117.340 117.340 116.567 0.773 18375 2121 1 4 . 1 1 58 58 ILE HA H 58 4.720 4.720 4.833 -0.113 18375 2122 1 4 . 1 1 58 58 ILE C C 58 176.920 176.920 174.703 2.217 18375 2123 1 4 . 1 1 58 58 ILE CA C 58 60.910 60.910 60.471 0.439 18375 2124 1 4 . 1 1 58 58 ILE CB C 58 41.820 41.820 42.568 -0.748 18375 2125 1 4 . 1 1 58 58 ILE H H 58 8.350 8.350 8.460 -0.110 18375 2126 1 4 . 1 1 59 59 LEU N N 59 112.330 112.330 123.917 -11.587 18375 2127 1 4 . 1 1 59 59 LEU HA H 59 4.220 4.220 4.992 -0.772 18375 2128 1 4 . 1 1 59 59 LEU C C 59 174.530 174.530 175.273 -0.743 18375 2129 1 4 . 1 1 59 59 LEU CA C 59 56.430 56.430 53.938 2.492 18375 2130 1 4 . 1 1 59 59 LEU CB C 59 44.160 44.160 44.856 -0.696 18375 2131 1 4 . 1 1 59 59 LEU H H 59 8.430 8.430 8.925 -0.495 18375 2132 1 4 . 1 1 60 60 GLN N N 60 111.170 111.170 122.346 -11.176 18375 2133 1 4 . 1 1 60 60 GLN HA H 60 4.970 4.970 5.243 -0.273 18375 2134 1 4 . 1 1 60 60 GLN C C 60 172.980 172.980 173.751 -0.771 18375 2135 1 4 . 1 1 60 60 GLN CA C 60 56.720 56.720 54.696 2.024 18375 2136 1 4 . 1 1 60 60 GLN CB C 60 30.950 30.950 31.686 -0.736 18375 2137 1 4 . 1 1 60 60 GLN H H 60 9.490 9.490 8.277 1.213 18375 2138 1 4 . 1 1 61 61 SER N N 61 118.550 118.550 121.474 -2.924 18375 2139 1 4 . 1 1 61 61 SER HA H 61 4.940 4.940 4.561 0.379 18375 2140 1 4 . 1 1 61 61 SER C C 61 174.370 174.370 173.048 1.322 18375 2141 1 4 . 1 1 61 61 SER CA C 61 56.570 56.570 56.779 -0.209 18375 2142 1 4 . 1 1 61 61 SER CB C 61 67.130 67.130 64.180 2.950 18375 2143 1 4 . 1 1 61 61 SER H H 61 8.800 8.800 8.813 -0.013 18375 2144 1 4 . 1 1 62 62 SER N N 62 120.910 120.910 123.980 -3.070 18375 2145 1 4 . 1 1 62 62 SER HA H 62 4.540 4.540 4.531 0.009 18375 2146 1 4 . 1 1 62 62 SER C C 62 173.560 173.560 174.423 -0.863 18375 2147 1 4 . 1 1 62 62 SER CA C 62 59.270 59.270 58.913 0.358 18375 2148 1 4 . 1 1 62 62 SER CB C 62 64.390 64.390 61.859 2.531 18375 2149 1 4 . 1 1 62 62 SER H H 62 8.900 8.900 8.869 0.031 18375 2150 1 4 . 1 1 63 63 GLU N N 63 121.810 121.810 125.320 -3.510 18375 2151 1 4 . 1 1 63 63 GLU HA H 63 4.220 4.220 4.603 -0.383 18375 2152 1 4 . 1 1 63 63 GLU C C 63 176.030 176.030 175.822 0.208 18375 2153 1 4 . 1 1 63 63 GLU CA C 63 57.840 57.840 55.879 1.962 18375 2154 1 4 . 1 1 63 63 GLU CB C 63 32.170 32.170 30.182 1.988 18375 2155 1 4 . 1 1 63 63 GLU H H 63 8.040 8.040 8.378 -0.338 18375 2156 1 4 . 1 1 64 64 GLY N N 64 125.900 125.900 109.875 16.025 18375 2157 1 4 . 1 1 64 64 GLY CA C 64 45.490 45.490 45.265 0.225 18375 2158 1 4 . 1 1 64 64 GLY H H 64 8.200 8.200 7.496 0.704 18375 2159 1 4 . 1 1 65 65 PRO HA H 65 4.040 4.040 4.237 -0.197 18375 2160 1 4 . 1 1 65 65 PRO C C 65 177.870 177.870 176.235 1.635 18375 2161 1 4 . 1 1 65 65 PRO CA C 65 65.610 65.610 64.216 1.394 18375 2162 1 4 . 1 1 65 65 PRO CB C 65 32.160 32.160 31.830 0.330 18375 2163 1 4 . 1 1 66 66 PHE N N 66 112.970 112.970 115.349 -2.379 18375 2164 1 4 . 1 1 66 66 PHE HA H 66 4.920 4.920 4.603 0.317 18375 2165 1 4 . 1 1 66 66 PHE C C 66 176.190 176.190 175.495 0.695 18375 2166 1 4 . 1 1 66 66 PHE CA C 66 57.420 57.420 58.746 -1.326 18375 2167 1 4 . 1 1 66 66 PHE CB C 66 42.360 42.360 40.456 1.904 18375 2168 1 4 . 1 1 66 66 PHE H H 66 8.490 8.490 7.816 0.674 18375 2169 1 4 . 1 1 67 67 GLY N N 67 124.370 124.370 104.503 19.867 18375 2170 1 4 . 1 1 67 67 GLY C C 67 172.480 172.480 173.653 -1.173 18375 2171 1 4 . 1 1 67 67 GLY CA C 67 46.860 46.860 44.592 2.268 18375 2172 1 4 . 1 1 67 67 GLY H H 67 6.940 6.940 7.799 -0.859 18375 2173 1 4 . 1 1 68 68 HIS N N 68 117.820 117.820 120.823 -3.003 18375 2174 1 4 . 1 1 68 68 HIS HA H 68 5.020 5.020 4.938 0.082 18375 2175 1 4 . 1 1 68 68 HIS C C 68 173.790 173.790 174.183 -0.393 18375 2176 1 4 . 1 1 68 68 HIS CA C 68 58.230 58.230 55.530 2.700 18375 2177 1 4 . 1 1 68 68 HIS CB C 68 36.120 36.120 30.904 5.216 18375 2178 1 4 . 1 1 68 68 HIS H H 68 8.590 8.590 8.326 0.264 18375 2179 1 4 . 1 1 69 69 VAL N N 69 116.830 116.830 120.841 -4.011 18375 2180 1 4 . 1 1 69 69 VAL HA H 69 5.320 5.320 4.647 0.673 18375 2181 1 4 . 1 1 69 69 VAL C C 69 173.060 173.060 173.763 -0.703 18375 2182 1 4 . 1 1 69 69 VAL CA C 69 58.940 58.940 59.388 -0.448 18375 2183 1 4 . 1 1 69 69 VAL CB C 69 37.700 37.700 32.317 5.383 18375 2184 1 4 . 1 1 69 69 VAL H H 69 6.040 6.040 8.010 -1.970 18375 2185 1 4 . 1 1 70 70 ALA N N 70 120.820 120.820 128.911 -8.091 18375 2186 1 4 . 1 1 70 70 ALA HA H 70 4.510 4.510 4.636 -0.126 18375 2187 1 4 . 1 1 70 70 ALA C C 70 173.870 173.870 176.025 -2.155 18375 2188 1 4 . 1 1 70 70 ALA CA C 70 51.560 51.560 50.160 1.400 18375 2189 1 4 . 1 1 70 70 ALA CB C 70 26.390 26.390 21.605 4.785 18375 2190 1 4 . 1 1 70 70 ALA H H 70 8.890 8.890 8.023 0.867 18375 2191 1 4 . 1 1 71 71 TYR N N 71 121.640 121.640 127.685 -6.045 18375 2192 1 4 . 1 1 71 71 TYR HA H 71 4.890 4.890 4.607 0.283 18375 2193 1 4 . 1 1 71 71 TYR C C 71 174.620 174.620 174.316 0.304 18375 2194 1 4 . 1 1 71 71 TYR CA C 71 58.140 58.140 57.501 0.639 18375 2195 1 4 . 1 1 71 71 TYR CB C 71 42.850 42.850 38.935 3.915 18375 2196 1 4 . 1 1 71 71 TYR H H 71 9.310 9.310 8.634 0.676 18375 2197 1 4 . 1 1 72 72 VAL N N 72 126.010 126.010 128.583 -2.573 18375 2198 1 4 . 1 1 72 72 VAL HA H 72 3.880 3.880 3.885 -0.005 18375 2199 1 4 . 1 1 72 72 VAL C C 72 174.250 174.250 175.841 -1.591 18375 2200 1 4 . 1 1 72 72 VAL CA C 72 64.970 64.970 62.867 2.103 18375 2201 1 4 . 1 1 72 72 VAL CB C 72 31.470 31.470 30.688 0.782 18375 2202 1 4 . 1 1 72 72 VAL H H 72 8.230 8.230 8.839 -0.609 18375 2203 1 4 . 1 1 73 73 GLU N N 73 112.690 112.690 129.481 -16.791 18375 2204 1 4 . 1 1 73 73 GLU HA H 73 4.250 4.250 3.874 0.376 18375 2205 1 4 . 1 1 73 73 GLU C C 73 178.020 178.020 176.244 1.776 18375 2206 1 4 . 1 1 73 73 GLU CA C 73 58.400 58.400 58.361 0.039 18375 2207 1 4 . 1 1 73 73 GLU CB C 73 31.050 31.050 30.253 0.797 18375 2208 1 4 . 1 1 73 73 GLU H H 73 8.820 8.820 8.447 0.373 18375 2209 1 4 . 1 1 74 74 SER N N 74 125.880 125.880 109.183 16.697 18375 2210 1 4 . 1 1 74 74 SER HA H 74 4.330 4.330 4.485 -0.155 18375 2211 1 4 . 1 1 74 74 SER C C 74 172.030 172.030 171.517 0.513 18375 2212 1 4 . 1 1 74 74 SER CA C 74 59.220 59.220 57.720 1.500 18375 2213 1 4 . 1 1 74 74 SER CB C 74 65.620 65.620 64.591 1.029 18375 2214 1 4 . 1 1 74 74 SER H H 74 7.900 7.900 7.582 0.318 18375 2215 1 4 . 1 1 75 75 VAL N N 75 122.760 122.760 120.510 2.250 18375 2216 1 4 . 1 1 75 75 VAL HA H 75 4.320 4.320 4.041 0.279 18375 2217 1 4 . 1 1 75 75 VAL C C 75 176.270 176.270 175.031 1.239 18375 2218 1 4 . 1 1 75 75 VAL CA C 75 63.380 63.380 61.252 2.128 18375 2219 1 4 . 1 1 75 75 VAL CB C 75 32.750 32.750 33.116 -0.366 18375 2220 1 4 . 1 1 75 75 VAL H H 75 8.400 8.400 8.388 0.012 18375 2221 1 4 . 1 1 76 76 ASN N N 76 125.270 125.270 124.783 0.487 18375 2222 1 4 . 1 1 76 76 ASN HA H 76 4.790 4.790 4.881 -0.091 18375 2223 1 4 . 1 1 76 76 ASN CA C 76 54.260 54.260 52.407 1.853 18375 2224 1 4 . 1 1 76 76 ASN CB C 76 39.960 39.960 39.535 0.425 18375 2225 1 4 . 1 1 76 76 ASN H H 76 9.080 9.080 8.842 0.238 18375 2226 1 4 . 1 1 77 77 SER HA H 77 4.130 4.130 4.239 -0.109 18375 2227 1 4 . 1 1 77 77 SER C C 77 174.410 174.410 174.698 -0.288 18375 2228 1 4 . 1 1 77 77 SER CA C 77 62.670 62.670 60.664 2.006 18375 2229 1 4 . 1 1 77 77 SER CB C 77 63.600 63.600 63.206 0.394 18375 2230 1 4 . 1 1 78 78 ASP N N 78 118.590 118.590 119.999 -1.409 18375 2231 1 4 . 1 1 78 78 ASP HA H 78 4.580 4.580 4.533 0.047 18375 2232 1 4 . 1 1 78 78 ASP C C 78 176.790 176.790 177.031 -0.241 18375 2233 1 4 . 1 1 78 78 ASP CA C 78 53.960 53.960 54.348 -0.388 18375 2234 1 4 . 1 1 78 78 ASP CB C 78 40.880 40.880 40.704 0.176 18375 2235 1 4 . 1 1 78 78 ASP H H 78 7.980 7.980 8.063 -0.083 18375 2236 1 4 . 1 1 79 79 GLY N N 79 109.220 109.220 107.225 1.995 18375 2237 1 4 . 1 1 79 79 GLY C C 79 173.470 173.470 174.133 -0.663 18375 2238 1 4 . 1 1 79 79 GLY CA C 79 46.050 46.050 44.571 1.479 18375 2239 1 4 . 1 1 79 79 GLY H H 79 8.180 8.180 7.593 0.587 18375 2240 1 4 . 1 1 80 80 SER N N 80 114.200 114.200 119.051 -4.851 18375 2241 1 4 . 1 1 80 80 SER HA H 80 4.350 4.350 4.846 -0.496 18375 2242 1 4 . 1 1 80 80 SER C C 80 172.630 172.630 173.914 -1.284 18375 2243 1 4 . 1 1 80 80 SER CA C 80 59.580 59.580 59.558 0.022 18375 2244 1 4 . 1 1 80 80 SER CB C 80 65.710 65.710 64.362 1.348 18375 2245 1 4 . 1 1 80 80 SER H H 80 7.930 7.930 8.257 -0.327 18375 2246 1 4 . 1 1 81 81 VAL N N 81 118.060 118.060 116.696 1.364 18375 2247 1 4 . 1 1 81 81 VAL HA H 81 4.690 4.690 4.576 0.114 18375 2248 1 4 . 1 1 81 81 VAL C C 81 175.220 175.220 175.177 0.043 18375 2249 1 4 . 1 1 81 81 VAL CA C 81 61.980 61.980 59.830 2.151 18375 2250 1 4 . 1 1 81 81 VAL CB C 81 36.810 36.810 33.457 3.353 18375 2251 1 4 . 1 1 81 81 VAL H H 81 8.820 8.820 8.651 0.169 18375 2252 1 4 . 1 1 82 82 THR N N 82 125.170 125.170 122.507 2.663 18375 2253 1 4 . 1 1 82 82 THR HA H 82 5.190 5.190 4.638 0.552 18375 2254 1 4 . 1 1 82 82 THR C C 82 174.150 174.150 173.985 0.165 18375 2255 1 4 . 1 1 82 82 THR CA C 82 63.440 63.440 62.875 0.565 18375 2256 1 4 . 1 1 82 82 THR CB C 82 70.520 70.520 68.869 1.651 18375 2257 1 4 . 1 1 82 82 THR H H 82 9.020 9.020 8.549 0.471 18375 2258 1 4 . 1 1 83 83 ILE N N 83 120.970 120.970 122.884 -1.914 18375 2259 1 4 . 1 1 83 83 ILE HA H 83 5.640 5.640 5.105 0.535 18375 2260 1 4 . 1 1 83 83 ILE C C 83 175.030 175.030 174.030 1.000 18375 2261 1 4 . 1 1 83 83 ILE CA C 83 59.440 59.440 58.765 0.675 18375 2262 1 4 . 1 1 83 83 ILE CB C 83 42.170 42.170 42.277 -0.107 18375 2263 1 4 . 1 1 83 83 ILE H H 83 9.280 9.280 8.071 1.209 18375 2264 1 4 . 1 1 84 84 SER N N 84 115.430 115.430 116.876 -1.446 18375 2265 1 4 . 1 1 84 84 SER HA H 84 5.590 5.590 5.312 0.278 18375 2266 1 4 . 1 1 84 84 SER C C 84 173.130 173.130 174.176 -1.046 18375 2267 1 4 . 1 1 84 84 SER CA C 84 58.050 58.050 56.853 1.197 18375 2268 1 4 . 1 1 84 84 SER CB C 84 67.140 67.140 65.900 1.240 18375 2269 1 4 . 1 1 84 84 SER H H 84 9.600 9.600 8.978 0.622 18375 2270 1 4 . 1 1 85 85 GLU N N 85 117.660 117.660 123.809 -6.149 18375 2271 1 4 . 1 1 85 85 GLU HA H 85 5.180 5.180 4.998 0.182 18375 2272 1 4 . 1 1 85 85 GLU C C 85 171.780 171.780 174.997 -3.217 18375 2273 1 4 . 1 1 85 85 GLU CA C 85 54.880 54.880 54.482 0.398 18375 2274 1 4 . 1 1 85 85 GLU CB C 85 33.540 33.540 31.109 2.431 18375 2275 1 4 . 1 1 85 85 GLU H H 85 8.800 8.800 8.676 0.124 18375 2276 1 4 . 1 1 86 86 MET N N 86 118.950 118.950 127.422 -8.472 18375 2277 1 4 . 1 1 86 86 MET HA H 86 5.250 5.250 4.154 1.096 18375 2278 1 4 . 1 1 86 86 MET C C 86 175.010 175.010 176.581 -1.571 18375 2279 1 4 . 1 1 86 86 MET CA C 86 53.880 53.880 57.267 -3.387 18375 2280 1 4 . 1 1 86 86 MET CB C 86 38.240 38.240 32.870 5.370 18375 2281 1 4 . 1 1 86 86 MET H H 86 8.490 8.490 8.705 -0.215 18375 2282 1 4 . 1 1 87 87 ASN N N 87 116.670 116.670 124.923 -8.253 18375 2283 1 4 . 1 1 87 87 ASN HA H 87 4.190 4.190 4.304 -0.114 18375 2284 1 4 . 1 1 87 87 ASN C C 87 174.810 174.810 176.004 -1.194 18375 2285 1 4 . 1 1 87 87 ASN CA C 87 54.520 54.520 56.577 -2.057 18375 2286 1 4 . 1 1 87 87 ASN CB C 87 39.330 39.330 37.382 1.948 18375 2287 1 4 . 1 1 87 87 ASN H H 87 8.250 8.250 9.095 -0.845 18375 2288 1 4 . 1 1 88 88 TYR N N 88 119.600 119.600 117.153 2.447 18375 2289 1 4 . 1 1 88 88 TYR HA H 88 4.290 4.290 3.925 0.365 18375 2290 1 4 . 1 1 88 88 TYR C C 88 175.620 175.620 173.812 1.808 18375 2291 1 4 . 1 1 88 88 TYR CA C 88 60.720 60.720 61.005 -0.284 18375 2292 1 4 . 1 1 88 88 TYR CB C 88 41.430 41.430 37.788 3.642 18375 2293 1 4 . 1 1 88 88 TYR H H 88 8.940 8.940 8.561 0.379 18375 2294 1 4 . 1 1 89 89 SER N N 89 113.120 113.120 115.097 -1.977 18375 2295 1 4 . 1 1 89 89 SER HA H 89 4.320 4.320 4.139 0.181 18375 2296 1 4 . 1 1 89 89 SER C C 89 174.860 174.860 174.309 0.551 18375 2297 1 4 . 1 1 89 89 SER CA C 89 58.690 58.690 58.010 0.680 18375 2298 1 4 . 1 1 89 89 SER CB C 89 65.140 65.140 63.129 2.011 18375 2299 1 4 . 1 1 89 89 SER H H 89 8.060 8.060 8.032 0.028 18375 2300 1 4 . 1 1 90 90 GLY N N 90 110.450 110.450 115.529 -5.079 18375 2301 1 4 . 1 1 90 90 GLY C C 90 174.680 174.680 173.462 1.218 18375 2302 1 4 . 1 1 90 90 GLY CA C 90 45.950 45.950 45.428 0.522 18375 2303 1 4 . 1 1 90 90 GLY H H 90 8.180 8.180 8.017 0.163 18375 2304 1 4 . 1 1 91 91 GLY N N 91 108.710 108.710 112.020 -3.310 18375 2305 1 4 . 1 1 91 91 GLY CA C 91 45.880 45.880 43.179 2.701 18375 2306 1 4 . 1 1 91 91 GLY H H 91 8.330 8.330 8.474 -0.144 18375 2307 1 4 . 1 1 92 92 PRO HA H 92 4.040 4.040 4.680 -0.640 18375 2308 1 4 . 1 1 92 92 PRO C C 92 177.930 177.930 176.541 1.389 18375 2309 1 4 . 1 1 92 92 PRO CA C 92 64.710 64.710 63.167 1.543 18375 2310 1 4 . 1 1 92 92 PRO CB C 92 32.690 32.690 32.028 0.662 18375 2311 1 4 . 1 1 93 93 PHE N N 93 113.220 113.220 118.011 -4.791 18375 2312 1 4 . 1 1 93 93 PHE HA H 93 4.480 4.480 4.103 0.377 18375 2313 1 4 . 1 1 93 93 PHE C C 93 174.490 174.490 175.790 -1.300 18375 2314 1 4 . 1 1 93 93 PHE CA C 93 62.890 62.890 59.092 3.798 18375 2315 1 4 . 1 1 93 93 PHE CB C 93 37.410 37.410 36.825 0.584 18375 2316 1 4 . 1 1 93 93 PHE H H 93 8.350 8.350 7.902 0.448 18375 2317 1 4 . 1 1 94 94 SER N N 94 115.680 115.680 117.028 -1.348 18375 2318 1 4 . 1 1 94 94 SER HA H 94 4.620 4.620 4.414 0.206 18375 2319 1 4 . 1 1 94 94 SER C C 94 174.290 174.290 175.322 -1.032 18375 2320 1 4 . 1 1 94 94 SER CA C 94 59.150 59.150 58.557 0.593 18375 2321 1 4 . 1 1 94 94 SER CB C 94 64.690 64.690 62.646 2.044 18375 2322 1 4 . 1 1 94 94 SER H H 94 7.980 7.980 7.946 0.034 18375 2323 1 4 . 1 1 95 95 VAL N N 95 112.520 112.520 126.120 -13.600 18375 2324 1 4 . 1 1 95 95 VAL HA H 95 4.830 4.830 3.794 1.036 18375 2325 1 4 . 1 1 95 95 VAL C C 95 175.770 175.770 174.565 1.205 18375 2326 1 4 . 1 1 95 95 VAL CA C 95 62.520 62.520 61.669 0.851 18375 2327 1 4 . 1 1 95 95 VAL CB C 95 34.010 34.010 31.395 2.615 18375 2328 1 4 . 1 1 95 95 VAL H H 95 8.840 8.840 8.024 0.816 18375 2329 1 4 . 1 1 96 96 SER N N 96 122.260 122.260 124.464 -2.204 18375 2330 1 4 . 1 1 96 96 SER HA H 96 4.810 4.810 4.405 0.405 18375 2331 1 4 . 1 1 96 96 SER C C 96 172.250 172.250 173.721 -1.471 18375 2332 1 4 . 1 1 96 96 SER CA C 96 58.080 58.080 58.615 -0.535 18375 2333 1 4 . 1 1 96 96 SER CB C 96 66.590 66.590 63.539 3.051 18375 2334 1 4 . 1 1 96 96 SER H H 96 9.190 9.190 8.627 0.563 18375 2335 1 4 . 1 1 97 97 SER N N 97 112.810 112.810 124.074 -11.264 18375 2336 1 4 . 1 1 97 97 SER HA H 97 5.620 5.620 4.826 0.794 18375 2337 1 4 . 1 1 97 97 SER C C 97 174.130 174.130 174.411 -0.281 18375 2338 1 4 . 1 1 97 97 SER CA C 97 57.260 57.260 58.188 -0.928 18375 2339 1 4 . 1 1 97 97 SER CB C 97 66.740 66.740 63.346 3.394 18375 2340 1 4 . 1 1 97 97 SER H H 97 8.290 8.290 8.568 -0.278 18375 2341 1 4 . 1 1 98 98 ARG N N 98 122.640 122.640 127.398 -4.758 18375 2342 1 4 . 1 1 98 98 ARG HA H 98 4.650 4.650 4.721 -0.071 18375 2343 1 4 . 1 1 98 98 ARG C C 98 174.030 174.030 174.765 -0.735 18375 2344 1 4 . 1 1 98 98 ARG CA C 98 56.640 56.640 53.647 2.993 18375 2345 1 4 . 1 1 98 98 ARG CB C 98 36.240 36.240 33.934 2.306 18375 2346 1 4 . 1 1 98 98 ARG H H 98 8.380 8.380 8.024 0.356 18375 2347 1 4 . 1 1 99 99 THR N N 99 118.220 118.220 116.522 1.698 18375 2348 1 4 . 1 1 99 99 THR HA H 99 5.280 5.280 5.097 0.183 18375 2349 1 4 . 1 1 99 99 THR C C 99 173.930 173.930 173.432 0.498 18375 2350 1 4 . 1 1 99 99 THR CA C 99 62.820 62.820 61.555 1.265 18375 2351 1 4 . 1 1 99 99 THR CB C 99 71.360 71.360 70.578 0.782 18375 2352 1 4 . 1 1 99 99 THR H H 99 8.650 8.650 8.318 0.332 18375 2353 1 4 . 1 1 100 100 ILE N N 100 112.130 112.130 126.993 -14.863 18375 2354 1 4 . 1 1 100 100 ILE HA H 100 4.290 4.290 4.377 -0.087 18375 2355 1 4 . 1 1 100 100 ILE C C 100 175.190 175.190 175.583 -0.393 18375 2356 1 4 . 1 1 100 100 ILE CA C 100 60.340 60.340 58.180 2.160 18375 2357 1 4 . 1 1 100 100 ILE CB C 100 40.390 40.390 38.162 2.228 18375 2358 1 4 . 1 1 100 100 ILE H H 100 9.560 9.560 8.447 1.113 18375 2359 1 4 . 1 1 101 101 SER N N 101 121.940 121.940 122.520 -0.580 18375 2360 1 4 . 1 1 101 101 SER HA H 101 4.120 4.120 4.428 -0.308 18375 2361 1 4 . 1 1 101 101 SER C C 101 174.230 174.230 175.685 -1.455 18375 2362 1 4 . 1 1 101 101 SER CA C 101 59.450 59.450 57.783 1.667 18375 2363 1 4 . 1 1 101 101 SER CB C 101 65.410 65.410 63.926 1.484 18375 2364 1 4 . 1 1 101 101 SER H H 101 8.860 8.860 8.767 0.093 18375 2365 1 4 . 1 1 102 102 ALA N N 102 123.870 123.870 127.356 -3.486 18375 2366 1 4 . 1 1 102 102 ALA HA H 102 3.910 3.910 3.859 0.051 18375 2367 1 4 . 1 1 102 102 ALA C C 102 170.440 170.440 179.122 -8.682 18375 2368 1 4 . 1 1 102 102 ALA CA C 102 56.360 56.360 55.352 1.008 18375 2369 1 4 . 1 1 102 102 ALA CB C 102 19.430 19.430 18.228 1.202 18375 2370 1 4 . 1 1 102 102 ALA H H 102 8.860 8.860 9.015 -0.155 18375 2371 1 4 . 1 1 103 103 SER N N 103 109.980 109.980 113.443 -3.463 18375 2372 1 4 . 1 1 103 103 SER HA H 103 4.200 4.200 4.081 0.119 18375 2373 1 4 . 1 1 103 103 SER C C 103 176.050 176.050 176.492 -0.442 18375 2374 1 4 . 1 1 103 103 SER CA C 103 61.680 61.680 61.280 0.400 18375 2375 1 4 . 1 1 103 103 SER CB C 103 63.640 63.640 62.684 0.956 18375 2376 1 4 . 1 1 103 103 SER H H 103 8.180 8.180 8.260 -0.080 18375 2377 1 4 . 1 1 104 104 GLU N N 104 121.250 121.250 120.271 0.979 18375 2378 1 4 . 1 1 104 104 GLU HA H 104 4.260 4.260 3.975 0.285 18375 2379 1 4 . 1 1 104 104 GLU C C 104 178.240 178.240 178.037 0.203 18375 2380 1 4 . 1 1 104 104 GLU CA C 104 57.960 57.960 57.724 0.236 18375 2381 1 4 . 1 1 104 104 GLU CB C 104 32.210 32.210 29.525 2.685 18375 2382 1 4 . 1 1 104 104 GLU H H 104 7.560 7.560 7.561 -0.001 18375 2383 1 4 . 1 1 105 105 ALA N N 105 121.520 121.520 122.321 -0.801 18375 2384 1 4 . 1 1 105 105 ALA HA H 105 4.060 4.060 4.024 0.036 18375 2385 1 4 . 1 1 105 105 ALA C C 105 170.230 170.230 179.749 -9.519 18375 2386 1 4 . 1 1 105 105 ALA CA C 105 57.080 57.080 54.683 2.397 18375 2387 1 4 . 1 1 105 105 ALA CB C 105 19.320 19.320 18.157 1.163 18375 2388 1 4 . 1 1 105 105 ALA H H 105 8.280 8.280 8.184 0.096 18375 2389 1 4 . 1 1 106 106 GLY N N 106 121.950 121.950 105.075 16.875 18375 2390 1 4 . 1 1 106 106 GLY C C 106 174.110 174.110 175.362 -1.252 18375 2391 1 4 . 1 1 106 106 GLY CA C 106 46.780 46.780 46.787 -0.007 18375 2392 1 4 . 1 1 106 106 GLY H H 106 8.360 8.360 8.193 0.167 18375 2393 1 4 . 1 1 107 107 ASN N N 107 117.130 117.130 119.547 -2.417 18375 2394 1 4 . 1 1 107 107 ASN HA H 107 4.480 4.480 4.635 -0.155 18375 2395 1 4 . 1 1 107 107 ASN C C 107 175.110 175.110 175.900 -0.790 18375 2396 1 4 . 1 1 107 107 ASN CA C 107 54.220 54.220 54.170 0.050 18375 2397 1 4 . 1 1 107 107 ASN CB C 107 38.890 38.890 39.303 -0.413 18375 2398 1 4 . 1 1 107 107 ASN H H 107 7.830 7.830 7.218 0.612 18375 2399 1 4 . 1 1 108 108 TYR N N 108 117.300 117.300 119.210 -1.910 18375 2400 1 4 . 1 1 108 108 TYR HA H 108 4.620 4.620 4.554 0.066 18375 2401 1 4 . 1 1 108 108 TYR C C 108 174.810 174.810 176.538 -1.728 18375 2402 1 4 . 1 1 108 108 TYR CA C 108 58.700 58.700 57.922 0.778 18375 2403 1 4 . 1 1 108 108 TYR CB C 108 41.260 41.260 37.393 3.867 18375 2404 1 4 . 1 1 108 108 TYR H H 108 7.020 7.020 7.751 -0.731 18375 2405 1 4 . 1 1 109 109 ASN N N 109 117.260 117.260 121.774 -4.514 18375 2406 1 4 . 1 1 109 109 ASN HA H 109 5.020 5.020 5.003 0.017 18375 2407 1 4 . 1 1 109 109 ASN C C 109 173.590 173.590 173.646 -0.056 18375 2408 1 4 . 1 1 109 109 ASN CA C 109 53.140 53.140 53.859 -0.719 18375 2409 1 4 . 1 1 109 109 ASN CB C 109 41.590 41.590 40.500 1.090 18375 2410 1 4 . 1 1 109 109 ASN H H 109 7.910 7.910 8.397 -0.487 18375 2411 1 4 . 1 1 110 110 TYR N N 110 117.410 117.410 113.598 3.812 18375 2412 1 4 . 1 1 110 110 TYR HA H 110 5.300 5.300 5.216 0.084 18375 2413 1 4 . 1 1 110 110 TYR C C 110 174.450 174.450 173.843 0.607 18375 2414 1 4 . 1 1 110 110 TYR CA C 110 57.740 57.740 56.106 1.634 18375 2415 1 4 . 1 1 110 110 TYR CB C 110 41.580 41.580 41.073 0.507 18375 2416 1 4 . 1 1 110 110 TYR H H 110 9.340 9.340 8.726 0.614 18375 2417 1 4 . 1 1 111 111 ILE N N 111 123.080 123.080 119.995 3.085 18375 2418 1 4 . 1 1 111 111 ILE HA H 111 4.360 4.360 4.892 -0.532 18375 2419 1 4 . 1 1 111 111 ILE C C 111 175.250 175.250 174.297 0.953 18375 2420 1 4 . 1 1 111 111 ILE CA C 111 61.530 61.530 59.633 1.897 18375 2421 1 4 . 1 1 111 111 ILE CB C 111 40.560 40.560 39.766 0.795 18375 2422 1 4 . 1 1 111 111 ILE H H 111 9.320 9.320 8.663 0.657 18375 2423 1 4 . 1 1 112 112 HIS N N 112 109.020 109.020 123.924 -14.904 18375 2424 1 4 . 1 1 112 112 HIS HA H 112 4.560 4.560 4.853 -0.293 18375 2425 1 4 . 1 1 112 112 HIS C C 112 173.980 173.980 174.436 -0.456 18375 2426 1 4 . 1 1 112 112 HIS CA C 112 57.550 57.550 53.360 4.190 18375 2427 1 4 . 1 1 112 112 HIS CB C 112 31.350 31.350 31.983 -0.633 18375 2428 1 4 . 1 1 112 112 HIS H H 112 8.710 8.710 8.295 0.415 18375 2429 1 5 . 1 1 3 3 SER HA H 3 4.510 4.510 4.326 0.184 18375 2430 1 5 . 1 1 3 3 SER C C 3 174.460 174.460 173.257 1.203 18375 2431 1 5 . 1 1 3 3 SER CA C 3 59.400 59.400 58.441 0.959 18375 2432 1 5 . 1 1 3 3 SER CB C 3 64.820 64.820 62.684 2.136 18375 2433 1 5 . 1 1 4 4 ILE N N 4 121.890 121.890 116.422 5.468 18375 2434 1 5 . 1 1 4 4 ILE HA H 4 4.210 4.210 4.444 -0.234 18375 2435 1 5 . 1 1 4 4 ILE C C 4 176.040 176.040 175.292 0.748 18375 2436 1 5 . 1 1 4 4 ILE CA C 4 62.180 62.180 60.523 1.657 18375 2437 1 5 . 1 1 4 4 ILE CB C 4 39.930 39.930 38.991 0.939 18375 2438 1 5 . 1 1 4 4 ILE H H 4 8.180 8.180 7.594 0.586 18375 2439 1 5 . 1 1 5 5 SER N N 5 119.230 119.230 117.012 2.218 18375 2440 1 5 . 1 1 5 5 SER C C 5 174.290 174.290 174.898 -0.608 18375 2441 1 5 . 1 1 5 5 SER CA C 5 59.140 59.140 59.023 0.117 18375 2442 1 5 . 1 1 5 5 SER CB C 5 64.930 64.930 63.743 1.187 18375 2443 1 5 . 1 1 5 5 SER H H 5 8.270 8.270 9.059 -0.789 18375 2444 1 5 . 1 1 6 6 HIS HA H 6 4.650 4.650 4.765 -0.115 18375 2445 1 5 . 1 1 6 6 HIS CA C 6 57.240 57.240 56.274 0.966 18375 2446 1 5 . 1 1 6 6 HIS CB C 6 31.150 31.150 31.275 -0.125 18375 2447 1 5 . 1 1 7 7 SER N N 7 117.260 117.260 114.524 2.736 18375 2448 1 5 . 1 1 7 7 SER HA H 7 4.430 4.430 4.619 -0.189 18375 2449 1 5 . 1 1 7 7 SER C C 7 174.890 174.890 175.197 -0.307 18375 2450 1 5 . 1 1 7 7 SER CA C 7 59.750 59.750 57.250 2.500 18375 2451 1 5 . 1 1 7 7 SER CB C 7 64.890 64.890 64.548 0.342 18375 2452 1 5 . 1 1 7 7 SER H H 7 8.360 8.360 7.682 0.678 18375 2453 1 5 . 1 1 8 8 GLY N N 8 110.140 110.140 113.270 -3.130 18375 2454 1 5 . 1 1 8 8 GLY C C 8 173.340 173.340 173.116 0.224 18375 2455 1 5 . 1 1 8 8 GLY CA C 8 45.920 45.920 44.810 1.110 18375 2456 1 5 . 1 1 8 8 GLY H H 8 8.500 8.500 8.817 -0.317 18375 2457 1 5 . 1 1 9 9 ASN N N 9 118.840 118.840 117.959 0.881 18375 2458 1 5 . 1 1 9 9 ASN HA H 9 3.430 3.430 5.063 -1.633 18375 2459 1 5 . 1 1 9 9 ASN C C 9 175.460 175.460 176.169 -0.709 18375 2460 1 5 . 1 1 9 9 ASN CA C 9 53.400 53.400 51.843 1.557 18375 2461 1 5 . 1 1 9 9 ASN CB C 9 38.780 38.780 41.462 -2.682 18375 2462 1 5 . 1 1 9 9 ASN H H 9 8.280 8.280 7.702 0.578 18375 2463 1 5 . 1 1 10 10 LEU N N 10 125.560 125.560 123.267 2.293 18375 2464 1 5 . 1 1 10 10 LEU HA H 10 4.250 4.250 4.442 -0.192 18375 2465 1 5 . 1 1 10 10 LEU C C 10 177.320 177.320 176.939 0.381 18375 2466 1 5 . 1 1 10 10 LEU CA C 10 55.080 55.080 54.472 0.608 18375 2467 1 5 . 1 1 10 10 LEU CB C 10 42.110 42.110 42.148 -0.038 18375 2468 1 5 . 1 1 10 10 LEU H H 10 6.850 6.850 8.422 -1.572 18375 2469 1 5 . 1 1 11 11 TYR N N 11 120.920 120.920 119.527 1.393 18375 2470 1 5 . 1 1 11 11 TYR HA H 11 4.350 4.350 4.362 -0.012 18375 2471 1 5 . 1 1 11 11 TYR C C 11 174.800 174.800 175.962 -1.162 18375 2472 1 5 . 1 1 11 11 TYR CA C 11 60.200 60.200 59.418 0.782 18375 2473 1 5 . 1 1 11 11 TYR CB C 11 38.520 38.520 40.001 -1.481 18375 2474 1 5 . 1 1 11 11 TYR H H 11 7.680 7.680 7.709 -0.029 18375 2475 1 5 . 1 1 12 12 THR N N 12 118.320 118.320 115.732 2.588 18375 2476 1 5 . 1 1 12 12 THR HA H 12 3.680 3.680 4.103 -0.423 18375 2477 1 5 . 1 1 12 12 THR C C 12 173.180 173.180 173.637 -0.457 18375 2478 1 5 . 1 1 12 12 THR CA C 12 65.310 65.310 63.552 1.758 18375 2479 1 5 . 1 1 12 12 THR CB C 12 70.080 70.080 69.222 0.858 18375 2480 1 5 . 1 1 12 12 THR H H 12 8.320 8.320 8.579 -0.259 18375 2481 1 5 . 1 1 13 13 ALA N N 13 111.540 111.540 128.003 -16.463 18375 2482 1 5 . 1 1 13 13 ALA HA H 13 3.690 3.690 3.019 0.671 18375 2483 1 5 . 1 1 13 13 ALA CA C 13 53.700 53.700 52.359 1.341 18375 2484 1 5 . 1 1 13 13 ALA H H 13 8.150 8.150 8.294 -0.144 18375 2485 1 5 . 1 1 14 14 GLY N N 14 109.410 109.410 110.730 -1.320 18375 2486 1 5 . 1 1 14 14 GLY C C 14 173.310 173.310 173.725 -0.415 18375 2487 1 5 . 1 1 14 14 GLY CA C 14 44.150 44.150 43.923 0.227 18375 2488 1 5 . 1 1 14 14 GLY H H 14 4.990 4.990 6.597 -1.607 18375 2489 1 5 . 1 1 15 15 GLN N N 15 115.720 115.720 117.849 -2.129 18375 2490 1 5 . 1 1 15 15 GLN HA H 15 4.410 4.410 4.741 -0.331 18375 2491 1 5 . 1 1 15 15 GLN C C 15 176.310 176.310 177.006 -0.696 18375 2492 1 5 . 1 1 15 15 GLN CA C 15 55.570 55.570 53.179 2.391 18375 2493 1 5 . 1 1 15 15 GLN CB C 15 31.180 31.180 31.956 -0.776 18375 2494 1 5 . 1 1 15 15 GLN H H 15 7.170 7.170 7.543 -0.373 18375 2495 1 5 . 1 1 16 16 CYS N N 16 118.020 118.020 119.916 -1.896 18375 2496 1 5 . 1 1 16 16 CYS HA H 16 4.590 4.590 4.353 0.237 18375 2497 1 5 . 1 1 16 16 CYS C C 16 176.730 176.730 176.934 -0.204 18375 2498 1 5 . 1 1 16 16 CYS CA C 16 61.050 61.050 61.863 -0.813 18375 2499 1 5 . 1 1 16 16 CYS CB C 16 28.600 28.600 28.100 0.500 18375 2500 1 5 . 1 1 16 16 CYS H H 16 9.300 9.300 9.174 0.126 18375 2501 1 5 . 1 1 17 17 THR N N 17 113.910 113.910 113.731 0.179 18375 2502 1 5 . 1 1 17 17 THR HA H 17 3.180 3.180 4.171 -0.991 18375 2503 1 5 . 1 1 17 17 THR C C 17 174.260 174.260 176.415 -2.155 18375 2504 1 5 . 1 1 17 17 THR CA C 17 62.800 62.800 64.858 -2.058 18375 2505 1 5 . 1 1 17 17 THR CB C 17 69.000 69.000 68.410 0.590 18375 2506 1 5 . 1 1 17 17 THR H H 17 7.300 7.300 8.128 -0.828 18375 2507 1 5 . 1 1 18 18 TRP N N 18 123.650 123.650 124.423 -0.773 18375 2508 1 5 . 1 1 18 18 TRP HA H 18 4.380 4.380 4.456 -0.076 18375 2509 1 5 . 1 1 18 18 TRP C C 18 177.910 177.910 177.466 0.444 18375 2510 1 5 . 1 1 18 18 TRP CA C 18 61.600 61.600 60.703 0.897 18375 2511 1 5 . 1 1 18 18 TRP CB C 18 31.320 31.320 29.329 1.991 18375 2512 1 5 . 1 1 18 18 TRP H H 18 6.640 6.640 7.497 -0.857 18375 2513 1 5 . 1 1 19 19 TYR N N 19 115.660 115.660 119.940 -4.280 18375 2514 1 5 . 1 1 19 19 TYR HA H 19 4.120 4.120 3.830 0.290 18375 2515 1 5 . 1 1 19 19 TYR C C 19 177.170 177.170 177.364 -0.194 18375 2516 1 5 . 1 1 19 19 TYR CA C 19 61.370 61.370 61.998 -0.628 18375 2517 1 5 . 1 1 19 19 TYR CB C 19 42.110 42.110 38.489 3.621 18375 2518 1 5 . 1 1 19 19 TYR H H 19 7.680 7.680 8.795 -1.115 18375 2519 1 5 . 1 1 20 20 VAL N N 20 116.740 116.740 119.248 -2.508 18375 2520 1 5 . 1 1 20 20 VAL HA H 20 3.030 3.030 3.497 -0.467 18375 2521 1 5 . 1 1 20 20 VAL C C 20 176.410 176.410 177.785 -1.375 18375 2522 1 5 . 1 1 20 20 VAL CA C 20 68.360 68.360 67.480 0.881 18375 2523 1 5 . 1 1 20 20 VAL CB C 20 32.210 32.210 31.666 0.543 18375 2524 1 5 . 1 1 20 20 VAL H H 20 7.450 7.450 8.093 -0.643 18375 2525 1 5 . 1 1 21 21 TYR N N 21 118.550 118.550 120.979 -2.429 18375 2526 1 5 . 1 1 21 21 TYR HA H 21 3.560 3.560 4.182 -0.622 18375 2527 1 5 . 1 1 21 21 TYR C C 21 176.490 176.490 177.226 -0.736 18375 2528 1 5 . 1 1 21 21 TYR CA C 21 63.990 63.990 61.495 2.494 18375 2529 1 5 . 1 1 21 21 TYR CB C 21 38.970 38.970 38.415 0.555 18375 2530 1 5 . 1 1 21 21 TYR H H 21 8.370 8.370 7.972 0.398 18375 2531 1 5 . 1 1 22 22 ASP N N 22 115.760 115.760 119.303 -3.543 18375 2532 1 5 . 1 1 22 22 ASP HA H 22 4.260 4.260 4.080 0.180 18375 2533 1 5 . 1 1 22 22 ASP C C 22 169.690 169.690 178.894 -9.204 18375 2534 1 5 . 1 1 22 22 ASP CA C 22 58.010 58.010 56.779 1.231 18375 2535 1 5 . 1 1 22 22 ASP CB C 22 41.770 41.770 40.554 1.216 18375 2536 1 5 . 1 1 22 22 ASP H H 22 6.880 6.880 7.815 -0.935 18375 2537 1 5 . 1 1 23 23 LYS N N 23 121.790 121.790 117.977 3.813 18375 2538 1 5 . 1 1 23 23 LYS HA H 23 3.610 3.610 3.659 -0.049 18375 2539 1 5 . 1 1 23 23 LYS C C 23 178.360 178.360 178.173 0.187 18375 2540 1 5 . 1 1 23 23 LYS CA C 23 57.990 57.990 57.520 0.470 18375 2541 1 5 . 1 1 23 23 LYS CB C 23 31.350 31.350 31.313 0.037 18375 2542 1 5 . 1 1 23 23 LYS H H 23 7.820 7.820 7.561 0.259 18375 2543 1 5 . 1 1 24 24 VAL N N 24 108.790 108.790 109.729 -0.939 18375 2544 1 5 . 1 1 24 24 VAL HA H 24 4.390 4.390 4.141 0.249 18375 2545 1 5 . 1 1 24 24 VAL C C 24 176.840 176.840 175.881 0.959 18375 2546 1 5 . 1 1 24 24 VAL CA C 24 61.430 61.430 61.435 -0.005 18375 2547 1 5 . 1 1 24 24 VAL CB C 24 31.690 31.690 31.484 0.206 18375 2548 1 5 . 1 1 24 24 VAL H H 24 7.590 7.590 7.221 0.369 18375 2549 1 5 . 1 1 25 25 GLY N N 25 110.620 110.620 108.104 2.516 18375 2550 1 5 . 1 1 25 25 GLY C C 25 175.510 175.510 175.015 0.495 18375 2551 1 5 . 1 1 25 25 GLY CA C 25 47.110 47.110 44.913 2.197 18375 2552 1 5 . 1 1 25 25 GLY H H 25 7.680 7.680 7.639 0.041 18375 2553 1 5 . 1 1 26 26 GLY N N 26 122.410 122.410 107.012 15.398 18375 2554 1 5 . 1 1 26 26 GLY C C 26 174.470 174.470 174.352 0.118 18375 2555 1 5 . 1 1 26 26 GLY CA C 26 46.440 46.440 44.860 1.580 18375 2556 1 5 . 1 1 26 26 GLY H H 26 7.870 7.870 8.112 -0.242 18375 2557 1 5 . 1 1 27 27 GLU N N 27 116.720 116.720 118.017 -1.297 18375 2558 1 5 . 1 1 27 27 GLU HA H 27 4.150 4.150 4.112 0.038 18375 2559 1 5 . 1 1 27 27 GLU C C 27 175.810 175.810 175.978 -0.168 18375 2560 1 5 . 1 1 27 27 GLU CA C 27 58.110 58.110 57.718 0.392 18375 2561 1 5 . 1 1 27 27 GLU CB C 27 30.500 30.500 30.311 0.189 18375 2562 1 5 . 1 1 27 27 GLU H H 27 6.650 6.650 7.565 -0.915 18375 2563 1 5 . 1 1 28 28 ILE N N 28 125.210 125.210 115.719 9.491 18375 2564 1 5 . 1 1 28 28 ILE HA H 28 4.040 4.040 4.167 -0.127 18375 2565 1 5 . 1 1 28 28 ILE CA C 28 60.160 60.160 59.886 0.274 18375 2566 1 5 . 1 1 28 28 ILE CB C 28 40.940 40.940 38.740 2.200 18375 2567 1 5 . 1 1 28 28 ILE H H 28 6.330 6.330 7.529 -1.199 18375 2568 1 5 . 1 1 29 29 GLY C C 29 174.050 174.050 174.814 -0.764 18375 2569 1 5 . 1 1 29 29 GLY CA C 29 46.190 46.190 44.836 1.354 18375 2570 1 5 . 1 1 30 30 SER N N 30 115.530 115.530 114.946 0.584 18375 2571 1 5 . 1 1 30 30 SER HA H 30 4.140 4.140 3.525 0.615 18375 2572 1 5 . 1 1 30 30 SER C C 30 174.000 174.000 174.397 -0.397 18375 2573 1 5 . 1 1 30 30 SER CA C 30 60.180 60.180 60.482 -0.302 18375 2574 1 5 . 1 1 30 30 SER CB C 30 65.150 65.150 61.031 4.119 18375 2575 1 5 . 1 1 30 30 SER H H 30 8.540 8.540 7.285 1.255 18375 2576 1 5 . 1 1 31 31 THR N N 31 124.440 124.440 113.218 11.222 18375 2577 1 5 . 1 1 31 31 THR HA H 31 4.460 4.460 4.517 -0.057 18375 2578 1 5 . 1 1 31 31 THR C C 31 175.390 175.390 174.509 0.881 18375 2579 1 5 . 1 1 31 31 THR CA C 31 61.350 61.350 61.973 -0.623 18375 2580 1 5 . 1 1 31 31 THR CB C 31 69.190 69.190 69.024 0.166 18375 2581 1 5 . 1 1 31 31 THR H H 31 7.070 7.070 7.804 -0.734 18375 2582 1 5 . 1 1 32 32 TRP N N 32 121.120 121.120 119.824 1.296 18375 2583 1 5 . 1 1 32 32 TRP HA H 32 4.470 4.470 4.581 -0.111 18375 2584 1 5 . 1 1 32 32 TRP C C 32 175.720 175.720 176.658 -0.938 18375 2585 1 5 . 1 1 32 32 TRP CA C 32 57.500 57.500 55.382 2.118 18375 2586 1 5 . 1 1 32 32 TRP CB C 32 28.670 28.670 27.599 1.071 18375 2587 1 5 . 1 1 32 32 TRP H H 32 7.750 7.750 7.206 0.544 18375 2588 1 5 . 1 1 33 33 GLY N N 33 125.330 125.330 109.452 15.878 18375 2589 1 5 . 1 1 33 33 GLY C C 33 175.520 175.520 173.561 1.959 18375 2590 1 5 . 1 1 33 33 GLY CA C 33 46.390 46.390 46.007 0.383 18375 2591 1 5 . 1 1 33 33 GLY H H 33 8.580 8.580 8.148 0.432 18375 2592 1 5 . 1 1 34 34 ASN N N 34 118.870 118.870 120.669 -1.799 18375 2593 1 5 . 1 1 34 34 ASN HA H 34 4.720 4.720 5.334 -0.614 18375 2594 1 5 . 1 1 34 34 ASN C C 34 175.710 175.710 176.502 -0.792 18375 2595 1 5 . 1 1 34 34 ASN CA C 34 54.630 54.630 51.802 2.828 18375 2596 1 5 . 1 1 34 34 ASN CB C 34 40.050 40.050 40.694 -0.644 18375 2597 1 5 . 1 1 34 34 ASN H H 34 8.780 8.780 8.235 0.545 18375 2598 1 5 . 1 1 35 35 ALA N N 35 121.960 121.960 121.759 0.201 18375 2599 1 5 . 1 1 35 35 ALA HA H 35 2.920 2.920 3.722 -0.802 18375 2600 1 5 . 1 1 35 35 ALA C C 35 169.710 169.710 179.190 -9.480 18375 2601 1 5 . 1 1 35 35 ALA CA C 35 55.950 55.950 55.068 0.882 18375 2602 1 5 . 1 1 35 35 ALA CB C 35 20.460 20.460 18.514 1.946 18375 2603 1 5 . 1 1 35 35 ALA H H 35 8.750 8.750 8.636 0.114 18375 2604 1 5 . 1 1 36 36 ASN N N 36 114.940 114.940 114.310 0.630 18375 2605 1 5 . 1 1 36 36 ASN HA H 36 4.170 4.170 4.654 -0.484 18375 2606 1 5 . 1 1 36 36 ASN C C 36 175.200 175.200 175.627 -0.427 18375 2607 1 5 . 1 1 36 36 ASN CA C 36 55.930 55.930 53.818 2.112 18375 2608 1 5 . 1 1 36 36 ASN CB C 36 36.690 36.690 38.383 -1.693 18375 2609 1 5 . 1 1 36 36 ASN H H 36 8.410 8.410 8.593 -0.183 18375 2610 1 5 . 1 1 37 37 ASN N N 37 120.180 120.180 116.887 3.293 18375 2611 1 5 . 1 1 37 37 ASN HA H 37 5.060 5.060 4.997 0.063 18375 2612 1 5 . 1 1 37 37 ASN C C 37 176.530 176.530 176.133 0.397 18375 2613 1 5 . 1 1 37 37 ASN CA C 37 54.250 54.250 53.146 1.104 18375 2614 1 5 . 1 1 37 37 ASN CB C 37 41.720 41.720 39.587 2.133 18375 2615 1 5 . 1 1 37 37 ASN H H 37 8.850 8.850 7.795 1.055 18375 2616 1 5 . 1 1 38 38 TRP N N 38 118.410 118.410 123.232 -4.822 18375 2617 1 5 . 1 1 38 38 TRP HA H 38 4.190 4.190 4.374 -0.184 18375 2618 1 5 . 1 1 38 38 TRP C C 38 177.390 177.390 178.259 -0.869 18375 2619 1 5 . 1 1 38 38 TRP CA C 38 63.450 63.450 62.361 1.089 18375 2620 1 5 . 1 1 38 38 TRP CB C 38 29.680 29.680 28.759 0.921 18375 2621 1 5 . 1 1 38 38 TRP H H 38 8.240 8.240 7.593 0.647 18375 2622 1 5 . 1 1 39 39 ALA N N 39 118.400 118.400 119.870 -1.470 18375 2623 1 5 . 1 1 39 39 ALA HA H 39 3.770 3.770 4.026 -0.256 18375 2624 1 5 . 1 1 39 39 ALA C C 39 178.580 178.580 179.637 -1.057 18375 2625 1 5 . 1 1 39 39 ALA CA C 39 56.760 56.760 55.552 1.208 18375 2626 1 5 . 1 1 39 39 ALA CB C 39 18.020 18.020 17.615 0.405 18375 2627 1 5 . 1 1 39 39 ALA H H 39 7.150 7.150 8.836 -1.686 18375 2628 1 5 . 1 1 40 40 ALA N N 40 121.830 121.830 121.583 0.247 18375 2629 1 5 . 1 1 40 40 ALA HA H 40 3.990 3.990 4.094 -0.104 18375 2630 1 5 . 1 1 40 40 ALA C C 40 171.320 171.320 179.465 -8.145 18375 2631 1 5 . 1 1 40 40 ALA CA C 40 55.610 55.610 54.594 1.016 18375 2632 1 5 . 1 1 40 40 ALA CB C 40 18.840 18.840 18.449 0.391 18375 2633 1 5 . 1 1 40 40 ALA H H 40 8.060 8.060 7.680 0.380 18375 2634 1 5 . 1 1 41 41 ALA N N 41 122.200 122.200 121.184 1.016 18375 2635 1 5 . 1 1 41 41 ALA HA H 41 3.630 3.630 3.915 -0.285 18375 2636 1 5 . 1 1 41 41 ALA C C 41 170.110 170.110 179.190 -9.080 18375 2637 1 5 . 1 1 41 41 ALA CA C 41 55.240 55.240 55.077 0.163 18375 2638 1 5 . 1 1 41 41 ALA CB C 41 18.020 18.020 18.624 -0.604 18375 2639 1 5 . 1 1 41 41 ALA H H 41 8.250 8.250 8.307 -0.057 18375 2640 1 5 . 1 1 42 42 ALA N N 42 119.600 119.600 121.036 -1.436 18375 2641 1 5 . 1 1 42 42 ALA HA H 42 3.270 3.270 3.242 0.028 18375 2642 1 5 . 1 1 42 42 ALA C C 42 170.160 170.160 179.349 -9.189 18375 2643 1 5 . 1 1 42 42 ALA CA C 42 55.480 55.480 55.120 0.360 18375 2644 1 5 . 1 1 42 42 ALA CB C 42 19.890 19.890 18.383 1.507 18375 2645 1 5 . 1 1 42 42 ALA H H 42 7.710 7.710 8.775 -1.065 18375 2646 1 5 . 1 1 43 43 GLN N N 43 118.750 118.750 118.009 0.741 18375 2647 1 5 . 1 1 43 43 GLN HA H 43 4.340 4.340 4.072 0.268 18375 2648 1 5 . 1 1 43 43 GLN C C 43 170.980 170.980 179.016 -8.036 18375 2649 1 5 . 1 1 43 43 GLN CA C 43 60.200 60.200 58.179 2.021 18375 2650 1 5 . 1 1 43 43 GLN CB C 43 29.710 29.710 28.962 0.748 18375 2651 1 5 . 1 1 43 43 GLN H H 43 7.880 7.880 7.827 0.053 18375 2652 1 5 . 1 1 44 44 GLY N N 44 125.760 125.760 106.824 18.936 18375 2653 1 5 . 1 1 44 44 GLY C C 44 174.300 174.300 175.144 -0.844 18375 2654 1 5 . 1 1 44 44 GLY CA C 44 47.660 47.660 45.940 1.720 18375 2655 1 5 . 1 1 44 44 GLY H H 44 8.010 8.010 7.782 0.228 18375 2656 1 5 . 1 1 45 45 ALA N N 45 121.480 121.480 122.383 -0.903 18375 2657 1 5 . 1 1 45 45 ALA HA H 45 4.620 4.620 4.212 0.408 18375 2658 1 5 . 1 1 45 45 ALA C C 45 177.190 177.190 177.489 -0.299 18375 2659 1 5 . 1 1 45 45 ALA CA C 45 52.680 52.680 52.181 0.499 18375 2660 1 5 . 1 1 45 45 ALA CB C 45 20.560 20.560 19.193 1.367 18375 2661 1 5 . 1 1 45 45 ALA H H 45 7.540 7.540 7.813 -0.273 18375 2662 1 5 . 1 1 46 46 GLY N N 46 123.690 123.690 105.505 18.185 18375 2663 1 5 . 1 1 46 46 GLY C C 46 174.980 174.980 174.140 0.840 18375 2664 1 5 . 1 1 46 46 GLY CA C 46 46.540 46.540 44.636 1.904 18375 2665 1 5 . 1 1 46 46 GLY H H 46 7.680 7.680 7.438 0.242 18375 2666 1 5 . 1 1 47 47 PHE N N 47 119.960 119.960 119.256 0.704 18375 2667 1 5 . 1 1 47 47 PHE HA H 47 4.620 4.620 4.833 -0.213 18375 2668 1 5 . 1 1 47 47 PHE C C 47 176.120 176.120 176.289 -0.169 18375 2669 1 5 . 1 1 47 47 PHE CA C 47 59.000 59.000 55.284 3.716 18375 2670 1 5 . 1 1 47 47 PHE CB C 47 40.350 40.350 39.374 0.976 18375 2671 1 5 . 1 1 47 47 PHE H H 47 8.280 8.280 8.146 0.134 18375 2672 1 5 . 1 1 48 48 THR N N 48 120.680 120.680 119.349 1.331 18375 2673 1 5 . 1 1 48 48 THR HA H 48 4.190 4.190 4.684 -0.494 18375 2674 1 5 . 1 1 48 48 THR C C 48 173.000 173.000 173.257 -0.257 18375 2675 1 5 . 1 1 48 48 THR CA C 48 65.150 65.150 62.342 2.808 18375 2676 1 5 . 1 1 48 48 THR CB C 48 70.530 70.530 69.020 1.510 18375 2677 1 5 . 1 1 48 48 THR H H 48 9.260 9.260 8.854 0.406 18375 2678 1 5 . 1 1 49 49 VAL N N 49 111.320 111.320 125.637 -14.317 18375 2679 1 5 . 1 1 49 49 VAL HA H 49 5.380 5.380 5.160 0.220 18375 2680 1 5 . 1 1 49 49 VAL C C 49 175.570 175.570 174.265 1.305 18375 2681 1 5 . 1 1 49 49 VAL CA C 49 61.510 61.510 60.171 1.339 18375 2682 1 5 . 1 1 49 49 VAL CB C 49 34.960 34.960 34.447 0.513 18375 2683 1 5 . 1 1 49 49 VAL H H 49 8.560 8.560 8.772 -0.212 18375 2684 1 5 . 1 1 50 50 ASN N N 50 125.000 125.000 124.748 0.252 18375 2685 1 5 . 1 1 50 50 ASN HA H 50 4.800 4.800 4.777 0.023 18375 2686 1 5 . 1 1 50 50 ASN C C 50 174.270 174.270 173.846 0.424 18375 2687 1 5 . 1 1 50 50 ASN CA C 50 53.430 53.430 52.723 0.707 18375 2688 1 5 . 1 1 50 50 ASN CB C 50 39.100 39.100 40.269 -1.169 18375 2689 1 5 . 1 1 50 50 ASN H H 50 9.010 9.010 8.871 0.139 18375 2690 1 5 . 1 1 51 51 HIS N N 51 114.650 114.650 118.192 -3.542 18375 2691 1 5 . 1 1 51 51 HIS HA H 51 5.760 5.760 3.076 2.684 18375 2692 1 5 . 1 1 51 51 HIS C C 51 174.060 174.060 172.820 1.240 18375 2693 1 5 . 1 1 51 51 HIS CA C 51 56.360 56.360 55.586 0.774 18375 2694 1 5 . 1 1 51 51 HIS CB C 51 29.980 29.980 28.599 1.381 18375 2695 1 5 . 1 1 51 51 HIS H H 51 8.550 8.550 6.944 1.606 18375 2696 1 5 . 1 1 52 52 THR N N 52 119.910 119.910 120.586 -0.676 18375 2697 1 5 . 1 1 52 52 THR HA H 52 4.600 4.600 4.432 0.168 18375 2698 1 5 . 1 1 52 52 THR CA C 52 60.140 60.140 58.812 1.328 18375 2699 1 5 . 1 1 52 52 THR CB C 52 71.890 71.890 70.086 1.804 18375 2700 1 5 . 1 1 52 52 THR H H 52 8.500 8.500 7.490 1.010 18375 2701 1 5 . 1 1 53 53 PRO HA H 53 2.920 2.920 4.235 -1.315 18375 2702 1 5 . 1 1 53 53 PRO C C 53 175.410 175.410 175.807 -0.397 18375 2703 1 5 . 1 1 53 53 PRO CA C 53 62.460 62.460 63.707 -1.247 18375 2704 1 5 . 1 1 53 53 PRO CB C 53 33.410 33.410 31.645 1.765 18375 2705 1 5 . 1 1 54 54 SER N N 54 108.990 108.990 119.233 -10.243 18375 2706 1 5 . 1 1 54 54 SER HA H 54 4.300 4.300 4.642 -0.342 18375 2707 1 5 . 1 1 54 54 SER C C 54 172.380 172.380 173.105 -0.725 18375 2708 1 5 . 1 1 54 54 SER CA C 54 58.270 58.270 57.425 0.845 18375 2709 1 5 . 1 1 54 54 SER CB C 54 66.620 66.620 66.372 0.248 18375 2710 1 5 . 1 1 54 54 SER H H 54 6.000 6.000 8.264 -2.264 18375 2711 1 5 . 1 1 55 55 LYS N N 55 124.470 124.470 125.054 -0.584 18375 2712 1 5 . 1 1 55 55 LYS HA H 55 3.500 3.500 4.051 -0.551 18375 2713 1 5 . 1 1 55 55 LYS C C 55 177.150 177.150 177.882 -0.732 18375 2714 1 5 . 1 1 55 55 LYS CA C 55 59.850 59.850 57.492 2.358 18375 2715 1 5 . 1 1 55 55 LYS CB C 55 33.010 33.010 32.249 0.761 18375 2716 1 5 . 1 1 55 55 LYS H H 55 8.860 8.860 8.743 0.117 18375 2717 1 5 . 1 1 56 56 GLY N N 56 116.710 116.710 114.195 2.515 18375 2718 1 5 . 1 1 56 56 GLY C C 56 173.430 173.430 173.101 0.329 18375 2719 1 5 . 1 1 56 56 GLY CA C 56 45.600 45.600 44.956 0.643 18375 2720 1 5 . 1 1 56 56 GLY H H 56 8.950 8.950 8.631 0.319 18375 2721 1 5 . 1 1 57 57 ALA N N 57 118.940 118.940 120.750 -1.810 18375 2722 1 5 . 1 1 57 57 ALA HA H 57 4.630 4.630 4.469 0.161 18375 2723 1 5 . 1 1 57 57 ALA C C 57 174.570 174.570 175.347 -0.777 18375 2724 1 5 . 1 1 57 57 ALA CA C 57 51.840 51.840 49.802 2.038 18375 2725 1 5 . 1 1 57 57 ALA CB C 57 20.960 20.960 21.474 -0.514 18375 2726 1 5 . 1 1 57 57 ALA H H 57 7.420 7.420 7.492 -0.072 18375 2727 1 5 . 1 1 58 58 ILE N N 58 117.340 117.340 115.661 1.679 18375 2728 1 5 . 1 1 58 58 ILE HA H 58 4.720 4.720 4.975 -0.255 18375 2729 1 5 . 1 1 58 58 ILE C C 58 176.920 176.920 174.595 2.325 18375 2730 1 5 . 1 1 58 58 ILE CA C 58 60.910 60.910 58.633 2.277 18375 2731 1 5 . 1 1 58 58 ILE CB C 58 41.820 41.820 41.963 -0.143 18375 2732 1 5 . 1 1 58 58 ILE H H 58 8.350 8.350 8.465 -0.115 18375 2733 1 5 . 1 1 59 59 LEU N N 59 112.330 112.330 120.796 -8.466 18375 2734 1 5 . 1 1 59 59 LEU HA H 59 4.220 4.220 5.160 -0.940 18375 2735 1 5 . 1 1 59 59 LEU C C 59 174.530 174.530 174.049 0.481 18375 2736 1 5 . 1 1 59 59 LEU CA C 59 56.430 56.430 54.536 1.894 18375 2737 1 5 . 1 1 59 59 LEU CB C 59 44.160 44.160 45.927 -1.767 18375 2738 1 5 . 1 1 59 59 LEU H H 59 8.430 8.430 8.118 0.312 18375 2739 1 5 . 1 1 60 60 GLN N N 60 111.170 111.170 123.572 -12.402 18375 2740 1 5 . 1 1 60 60 GLN HA H 60 4.970 4.970 5.523 -0.553 18375 2741 1 5 . 1 1 60 60 GLN C C 60 172.980 172.980 173.768 -0.788 18375 2742 1 5 . 1 1 60 60 GLN CA C 60 56.720 56.720 53.511 3.209 18375 2743 1 5 . 1 1 60 60 GLN CB C 60 30.950 30.950 32.824 -1.874 18375 2744 1 5 . 1 1 60 60 GLN H H 60 9.490 9.490 8.330 1.160 18375 2745 1 5 . 1 1 61 61 SER N N 61 118.550 118.550 116.065 2.485 18375 2746 1 5 . 1 1 61 61 SER HA H 61 4.940 4.940 4.972 -0.032 18375 2747 1 5 . 1 1 61 61 SER C C 61 174.370 174.370 174.227 0.143 18375 2748 1 5 . 1 1 61 61 SER CA C 61 56.570 56.570 55.932 0.638 18375 2749 1 5 . 1 1 61 61 SER CB C 61 67.130 67.130 65.548 1.582 18375 2750 1 5 . 1 1 61 61 SER H H 61 8.800 8.800 8.692 0.108 18375 2751 1 5 . 1 1 62 62 SER N N 62 120.910 120.910 118.958 1.952 18375 2752 1 5 . 1 1 62 62 SER HA H 62 4.540 4.540 4.487 0.053 18375 2753 1 5 . 1 1 62 62 SER C C 62 173.560 173.560 174.777 -1.217 18375 2754 1 5 . 1 1 62 62 SER CA C 62 59.270 59.270 58.434 0.836 18375 2755 1 5 . 1 1 62 62 SER CB C 62 64.390 64.390 63.120 1.270 18375 2756 1 5 . 1 1 62 62 SER H H 62 8.900 8.900 8.703 0.197 18375 2757 1 5 . 1 1 63 63 GLU N N 63 121.810 121.810 124.110 -2.300 18375 2758 1 5 . 1 1 63 63 GLU HA H 63 4.220 4.220 4.489 -0.270 18375 2759 1 5 . 1 1 63 63 GLU C C 63 176.030 176.030 175.689 0.341 18375 2760 1 5 . 1 1 63 63 GLU CA C 63 57.840 57.840 55.869 1.971 18375 2761 1 5 . 1 1 63 63 GLU CB C 63 32.170 32.170 28.482 3.688 18375 2762 1 5 . 1 1 63 63 GLU H H 63 8.040 8.040 7.739 0.301 18375 2763 1 5 . 1 1 64 64 GLY N N 64 125.900 125.900 111.260 14.640 18375 2764 1 5 . 1 1 64 64 GLY CA C 64 45.490 45.490 45.278 0.212 18375 2765 1 5 . 1 1 64 64 GLY H H 64 8.200 8.200 7.494 0.706 18375 2766 1 5 . 1 1 65 65 PRO HA H 65 4.040 4.040 4.361 -0.321 18375 2767 1 5 . 1 1 65 65 PRO C C 65 177.870 177.870 176.631 1.239 18375 2768 1 5 . 1 1 65 65 PRO CA C 65 65.610 65.610 64.356 1.254 18375 2769 1 5 . 1 1 65 65 PRO CB C 65 32.160 32.160 32.072 0.088 18375 2770 1 5 . 1 1 66 66 PHE N N 66 112.970 112.970 116.804 -3.834 18375 2771 1 5 . 1 1 66 66 PHE HA H 66 4.920 4.920 4.788 0.132 18375 2772 1 5 . 1 1 66 66 PHE C C 66 176.190 176.190 175.991 0.199 18375 2773 1 5 . 1 1 66 66 PHE CA C 66 57.420 57.420 57.428 -0.008 18375 2774 1 5 . 1 1 66 66 PHE CB C 66 42.360 42.360 39.207 3.153 18375 2775 1 5 . 1 1 66 66 PHE H H 66 8.490 8.490 8.314 0.176 18375 2776 1 5 . 1 1 67 67 GLY N N 67 124.370 124.370 108.431 15.939 18375 2777 1 5 . 1 1 67 67 GLY C C 67 172.480 172.480 172.788 -0.308 18375 2778 1 5 . 1 1 67 67 GLY CA C 67 46.860 46.860 44.887 1.973 18375 2779 1 5 . 1 1 67 67 GLY H H 67 6.940 6.940 7.692 -0.752 18375 2780 1 5 . 1 1 68 68 HIS N N 68 117.820 117.820 119.615 -1.795 18375 2781 1 5 . 1 1 68 68 HIS HA H 68 5.020 5.020 5.090 -0.070 18375 2782 1 5 . 1 1 68 68 HIS C C 68 173.790 173.790 172.973 0.817 18375 2783 1 5 . 1 1 68 68 HIS CA C 68 58.230 58.230 55.273 2.957 18375 2784 1 5 . 1 1 68 68 HIS CB C 68 36.120 36.120 31.623 4.497 18375 2785 1 5 . 1 1 68 68 HIS H H 68 8.590 8.590 8.085 0.505 18375 2786 1 5 . 1 1 69 69 VAL N N 69 116.830 116.830 121.839 -5.009 18375 2787 1 5 . 1 1 69 69 VAL HA H 69 5.320 5.320 5.197 0.123 18375 2788 1 5 . 1 1 69 69 VAL C C 69 173.060 173.060 173.778 -0.718 18375 2789 1 5 . 1 1 69 69 VAL CA C 69 58.940 58.940 59.361 -0.421 18375 2790 1 5 . 1 1 69 69 VAL CB C 69 37.700 37.700 33.651 4.048 18375 2791 1 5 . 1 1 69 69 VAL H H 69 6.040 6.040 7.958 -1.918 18375 2792 1 5 . 1 1 70 70 ALA N N 70 120.820 120.820 128.539 -7.719 18375 2793 1 5 . 1 1 70 70 ALA HA H 70 4.510 4.510 4.656 -0.146 18375 2794 1 5 . 1 1 70 70 ALA C C 70 173.870 173.870 175.180 -1.310 18375 2795 1 5 . 1 1 70 70 ALA CA C 70 51.560 51.560 50.394 1.166 18375 2796 1 5 . 1 1 70 70 ALA CB C 70 26.390 26.390 22.498 3.892 18375 2797 1 5 . 1 1 70 70 ALA H H 70 8.890 8.890 8.512 0.378 18375 2798 1 5 . 1 1 71 71 TYR N N 71 121.640 121.640 124.343 -2.703 18375 2799 1 5 . 1 1 71 71 TYR HA H 71 4.890 4.890 4.480 0.410 18375 2800 1 5 . 1 1 71 71 TYR C C 71 174.620 174.620 174.091 0.529 18375 2801 1 5 . 1 1 71 71 TYR CA C 71 58.140 58.140 57.836 0.304 18375 2802 1 5 . 1 1 71 71 TYR CB C 71 42.850 42.850 40.088 2.762 18375 2803 1 5 . 1 1 71 71 TYR H H 71 9.310 9.310 8.670 0.640 18375 2804 1 5 . 1 1 72 72 VAL N N 72 126.010 126.010 127.237 -1.227 18375 2805 1 5 . 1 1 72 72 VAL HA H 72 3.880 3.880 3.860 0.020 18375 2806 1 5 . 1 1 72 72 VAL C C 72 174.250 174.250 175.217 -0.967 18375 2807 1 5 . 1 1 72 72 VAL CA C 72 64.970 64.970 62.523 2.447 18375 2808 1 5 . 1 1 72 72 VAL CB C 72 31.470 31.470 30.846 0.624 18375 2809 1 5 . 1 1 72 72 VAL H H 72 8.230 8.230 8.495 -0.265 18375 2810 1 5 . 1 1 73 73 GLU N N 73 112.690 112.690 128.684 -15.994 18375 2811 1 5 . 1 1 73 73 GLU HA H 73 4.250 4.250 4.148 0.102 18375 2812 1 5 . 1 1 73 73 GLU C C 73 178.020 178.020 176.370 1.650 18375 2813 1 5 . 1 1 73 73 GLU CA C 73 58.400 58.400 58.122 0.278 18375 2814 1 5 . 1 1 73 73 GLU CB C 73 31.050 31.050 30.896 0.154 18375 2815 1 5 . 1 1 73 73 GLU H H 73 8.820 8.820 8.207 0.613 18375 2816 1 5 . 1 1 74 74 SER N N 74 125.880 125.880 111.919 13.961 18375 2817 1 5 . 1 1 74 74 SER HA H 74 4.330 4.330 4.591 -0.261 18375 2818 1 5 . 1 1 74 74 SER C C 74 172.030 172.030 172.025 0.005 18375 2819 1 5 . 1 1 74 74 SER CA C 74 59.220 59.220 57.864 1.356 18375 2820 1 5 . 1 1 74 74 SER CB C 74 65.620 65.620 66.532 -0.912 18375 2821 1 5 . 1 1 74 74 SER H H 74 7.900 7.900 7.762 0.138 18375 2822 1 5 . 1 1 75 75 VAL N N 75 122.760 122.760 123.181 -0.421 18375 2823 1 5 . 1 1 75 75 VAL HA H 75 4.320 4.320 4.216 0.104 18375 2824 1 5 . 1 1 75 75 VAL C C 75 176.270 176.270 174.534 1.736 18375 2825 1 5 . 1 1 75 75 VAL CA C 75 63.380 63.380 60.472 2.908 18375 2826 1 5 . 1 1 75 75 VAL CB C 75 32.750 32.750 33.768 -1.018 18375 2827 1 5 . 1 1 75 75 VAL H H 75 8.400 8.400 8.391 0.009 18375 2828 1 5 . 1 1 76 76 ASN N N 76 125.270 125.270 127.830 -2.560 18375 2829 1 5 . 1 1 76 76 ASN HA H 76 4.790 4.790 4.819 -0.029 18375 2830 1 5 . 1 1 76 76 ASN CA C 76 54.260 54.260 53.492 0.768 18375 2831 1 5 . 1 1 76 76 ASN CB C 76 39.960 39.960 39.571 0.389 18375 2832 1 5 . 1 1 76 76 ASN H H 76 9.080 9.080 8.932 0.148 18375 2833 1 5 . 1 1 77 77 SER HA H 77 4.130 4.130 4.320 -0.190 18375 2834 1 5 . 1 1 77 77 SER C C 77 174.410 174.410 175.111 -0.701 18375 2835 1 5 . 1 1 77 77 SER CA C 77 62.670 62.670 60.398 2.272 18375 2836 1 5 . 1 1 77 77 SER CB C 77 63.600 63.600 62.638 0.962 18375 2837 1 5 . 1 1 78 78 ASP N N 78 118.590 118.590 119.147 -0.557 18375 2838 1 5 . 1 1 78 78 ASP HA H 78 4.580 4.580 4.587 -0.007 18375 2839 1 5 . 1 1 78 78 ASP C C 78 176.790 176.790 177.101 -0.311 18375 2840 1 5 . 1 1 78 78 ASP CA C 78 53.960 53.960 54.714 -0.754 18375 2841 1 5 . 1 1 78 78 ASP CB C 78 40.880 40.880 41.026 -0.146 18375 2842 1 5 . 1 1 78 78 ASP H H 78 7.980 7.980 8.190 -0.210 18375 2843 1 5 . 1 1 79 79 GLY N N 79 109.220 109.220 107.205 2.015 18375 2844 1 5 . 1 1 79 79 GLY C C 79 173.470 173.470 173.040 0.430 18375 2845 1 5 . 1 1 79 79 GLY CA C 79 46.050 46.050 44.945 1.105 18375 2846 1 5 . 1 1 79 79 GLY H H 79 8.180 8.180 7.920 0.260 18375 2847 1 5 . 1 1 80 80 SER N N 80 114.200 114.200 116.625 -2.425 18375 2848 1 5 . 1 1 80 80 SER HA H 80 4.350 4.350 5.158 -0.808 18375 2849 1 5 . 1 1 80 80 SER C C 80 172.630 172.630 173.969 -1.339 18375 2850 1 5 . 1 1 80 80 SER CA C 80 59.580 59.580 57.415 2.165 18375 2851 1 5 . 1 1 80 80 SER CB C 80 65.710 65.710 65.463 0.247 18375 2852 1 5 . 1 1 80 80 SER H H 80 7.930 7.930 7.595 0.335 18375 2853 1 5 . 1 1 81 81 VAL N N 81 118.060 118.060 122.293 -4.233 18375 2854 1 5 . 1 1 81 81 VAL HA H 81 4.690 4.690 4.312 0.378 18375 2855 1 5 . 1 1 81 81 VAL C C 81 175.220 175.220 175.522 -0.302 18375 2856 1 5 . 1 1 81 81 VAL CA C 81 61.980 61.980 60.725 1.255 18375 2857 1 5 . 1 1 81 81 VAL CB C 81 36.810 36.810 33.742 3.068 18375 2858 1 5 . 1 1 81 81 VAL H H 81 8.820 8.820 9.012 -0.192 18375 2859 1 5 . 1 1 82 82 THR N N 82 125.170 125.170 124.038 1.132 18375 2860 1 5 . 1 1 82 82 THR HA H 82 5.190 5.190 4.666 0.524 18375 2861 1 5 . 1 1 82 82 THR C C 82 174.150 174.150 173.949 0.201 18375 2862 1 5 . 1 1 82 82 THR CA C 82 63.440 63.440 62.813 0.627 18375 2863 1 5 . 1 1 82 82 THR CB C 82 70.520 70.520 68.562 1.958 18375 2864 1 5 . 1 1 82 82 THR H H 82 9.020 9.020 9.035 -0.015 18375 2865 1 5 . 1 1 83 83 ILE N N 83 120.970 120.970 123.551 -2.581 18375 2866 1 5 . 1 1 83 83 ILE HA H 83 5.640 5.640 5.071 0.569 18375 2867 1 5 . 1 1 83 83 ILE C C 83 175.030 175.030 174.097 0.933 18375 2868 1 5 . 1 1 83 83 ILE CA C 83 59.440 59.440 58.906 0.534 18375 2869 1 5 . 1 1 83 83 ILE CB C 83 42.170 42.170 41.119 1.051 18375 2870 1 5 . 1 1 83 83 ILE H H 83 9.280 9.280 8.478 0.802 18375 2871 1 5 . 1 1 84 84 SER N N 84 115.430 115.430 118.849 -3.419 18375 2872 1 5 . 1 1 84 84 SER HA H 84 5.590 5.590 5.525 0.065 18375 2873 1 5 . 1 1 84 84 SER C C 84 173.130 173.130 173.189 -0.059 18375 2874 1 5 . 1 1 84 84 SER CA C 84 58.050 58.050 57.292 0.758 18375 2875 1 5 . 1 1 84 84 SER CB C 84 67.140 67.140 66.211 0.929 18375 2876 1 5 . 1 1 84 84 SER H H 84 9.600 9.600 9.135 0.465 18375 2877 1 5 . 1 1 85 85 GLU N N 85 117.660 117.660 123.614 -5.954 18375 2878 1 5 . 1 1 85 85 GLU HA H 85 5.180 5.180 4.880 0.300 18375 2879 1 5 . 1 1 85 85 GLU C C 85 171.780 171.780 174.449 -2.669 18375 2880 1 5 . 1 1 85 85 GLU CA C 85 54.880 54.880 54.807 0.073 18375 2881 1 5 . 1 1 85 85 GLU CB C 85 33.540 33.540 32.663 0.877 18375 2882 1 5 . 1 1 85 85 GLU H H 85 8.800 8.800 8.791 0.009 18375 2883 1 5 . 1 1 86 86 MET N N 86 118.950 118.950 127.220 -8.270 18375 2884 1 5 . 1 1 86 86 MET HA H 86 5.250 5.250 4.164 1.086 18375 2885 1 5 . 1 1 86 86 MET C C 86 175.010 175.010 176.128 -1.118 18375 2886 1 5 . 1 1 86 86 MET CA C 86 53.880 53.880 56.962 -3.082 18375 2887 1 5 . 1 1 86 86 MET CB C 86 38.240 38.240 32.603 5.637 18375 2888 1 5 . 1 1 86 86 MET H H 86 8.490 8.490 8.535 -0.045 18375 2889 1 5 . 1 1 87 87 ASN N N 87 116.670 116.670 126.144 -9.474 18375 2890 1 5 . 1 1 87 87 ASN HA H 87 4.190 4.190 4.374 -0.184 18375 2891 1 5 . 1 1 87 87 ASN C C 87 174.810 174.810 176.047 -1.237 18375 2892 1 5 . 1 1 87 87 ASN CA C 87 54.520 54.520 56.340 -1.820 18375 2893 1 5 . 1 1 87 87 ASN CB C 87 39.330 39.330 37.264 2.066 18375 2894 1 5 . 1 1 87 87 ASN H H 87 8.250 8.250 9.269 -1.019 18375 2895 1 5 . 1 1 88 88 TYR N N 88 119.600 119.600 117.280 2.320 18375 2896 1 5 . 1 1 88 88 TYR HA H 88 4.290 4.290 3.885 0.405 18375 2897 1 5 . 1 1 88 88 TYR C C 88 175.620 175.620 174.076 1.544 18375 2898 1 5 . 1 1 88 88 TYR CA C 88 60.720 60.720 60.957 -0.237 18375 2899 1 5 . 1 1 88 88 TYR CB C 88 41.430 41.430 37.633 3.797 18375 2900 1 5 . 1 1 88 88 TYR H H 88 8.940 8.940 8.457 0.483 18375 2901 1 5 . 1 1 89 89 SER N N 89 113.120 113.120 115.074 -1.954 18375 2902 1 5 . 1 1 89 89 SER HA H 89 4.320 4.320 4.177 0.143 18375 2903 1 5 . 1 1 89 89 SER C C 89 174.860 174.860 173.489 1.371 18375 2904 1 5 . 1 1 89 89 SER CA C 89 58.690 58.690 58.502 0.188 18375 2905 1 5 . 1 1 89 89 SER CB C 89 65.140 65.140 62.785 2.355 18375 2906 1 5 . 1 1 89 89 SER H H 89 8.060 8.060 7.845 0.215 18375 2907 1 5 . 1 1 90 90 GLY N N 90 110.450 110.450 112.881 -2.431 18375 2908 1 5 . 1 1 90 90 GLY C C 90 174.680 174.680 173.473 1.207 18375 2909 1 5 . 1 1 90 90 GLY CA C 90 45.950 45.950 45.888 0.062 18375 2910 1 5 . 1 1 90 90 GLY H H 90 8.180 8.180 8.492 -0.312 18375 2911 1 5 . 1 1 91 91 GLY N N 91 108.710 108.710 111.449 -2.739 18375 2912 1 5 . 1 1 91 91 GLY CA C 91 45.880 45.880 42.783 3.097 18375 2913 1 5 . 1 1 91 91 GLY H H 91 8.330 8.330 8.179 0.151 18375 2914 1 5 . 1 1 92 92 PRO HA H 92 4.040 4.040 4.302 -0.262 18375 2915 1 5 . 1 1 92 92 PRO C C 92 177.930 177.930 176.384 1.546 18375 2916 1 5 . 1 1 92 92 PRO CA C 92 64.710 64.710 63.645 1.065 18375 2917 1 5 . 1 1 92 92 PRO CB C 92 32.690 32.690 32.033 0.657 18375 2918 1 5 . 1 1 93 93 PHE N N 93 113.220 113.220 118.526 -5.306 18375 2919 1 5 . 1 1 93 93 PHE HA H 93 4.480 4.480 4.178 0.302 18375 2920 1 5 . 1 1 93 93 PHE C C 93 174.490 174.490 175.863 -1.373 18375 2921 1 5 . 1 1 93 93 PHE CA C 93 62.890 62.890 58.944 3.946 18375 2922 1 5 . 1 1 93 93 PHE CB C 93 37.410 37.410 36.766 0.644 18375 2923 1 5 . 1 1 93 93 PHE H H 93 8.350 8.350 8.118 0.232 18375 2924 1 5 . 1 1 94 94 SER N N 94 115.680 115.680 118.524 -2.844 18375 2925 1 5 . 1 1 94 94 SER HA H 94 4.620 4.620 4.426 0.194 18375 2926 1 5 . 1 1 94 94 SER C C 94 174.290 174.290 174.741 -0.451 18375 2927 1 5 . 1 1 94 94 SER CA C 94 59.150 59.150 58.611 0.540 18375 2928 1 5 . 1 1 94 94 SER CB C 94 64.690 64.690 63.023 1.667 18375 2929 1 5 . 1 1 94 94 SER H H 94 7.980 7.980 7.945 0.035 18375 2930 1 5 . 1 1 95 95 VAL N N 95 112.520 112.520 127.435 -14.915 18375 2931 1 5 . 1 1 95 95 VAL HA H 95 4.830 4.830 3.816 1.014 18375 2932 1 5 . 1 1 95 95 VAL C C 95 175.770 175.770 174.613 1.157 18375 2933 1 5 . 1 1 95 95 VAL CA C 95 62.520 62.520 62.318 0.202 18375 2934 1 5 . 1 1 95 95 VAL CB C 95 34.010 34.010 31.641 2.369 18375 2935 1 5 . 1 1 95 95 VAL H H 95 8.840 8.840 8.099 0.741 18375 2936 1 5 . 1 1 96 96 SER N N 96 122.260 122.260 124.705 -2.445 18375 2937 1 5 . 1 1 96 96 SER HA H 96 4.810 4.810 4.441 0.369 18375 2938 1 5 . 1 1 96 96 SER C C 96 172.250 172.250 173.482 -1.232 18375 2939 1 5 . 1 1 96 96 SER CA C 96 58.080 58.080 58.855 -0.775 18375 2940 1 5 . 1 1 96 96 SER CB C 96 66.590 66.590 63.546 3.044 18375 2941 1 5 . 1 1 96 96 SER H H 96 9.190 9.190 9.029 0.161 18375 2942 1 5 . 1 1 97 97 SER N N 97 112.810 112.810 123.002 -10.192 18375 2943 1 5 . 1 1 97 97 SER HA H 97 5.620 5.620 5.154 0.466 18375 2944 1 5 . 1 1 97 97 SER C C 97 174.130 174.130 174.087 0.043 18375 2945 1 5 . 1 1 97 97 SER CA C 97 57.260 57.260 57.569 -0.309 18375 2946 1 5 . 1 1 97 97 SER CB C 97 66.740 66.740 63.708 3.032 18375 2947 1 5 . 1 1 97 97 SER H H 97 8.290 8.290 8.544 -0.254 18375 2948 1 5 . 1 1 98 98 ARG N N 98 122.640 122.640 127.476 -4.836 18375 2949 1 5 . 1 1 98 98 ARG HA H 98 4.650 4.650 4.707 -0.057 18375 2950 1 5 . 1 1 98 98 ARG C C 98 174.030 174.030 174.309 -0.279 18375 2951 1 5 . 1 1 98 98 ARG CA C 98 56.640 56.640 53.953 2.687 18375 2952 1 5 . 1 1 98 98 ARG CB C 98 36.240 36.240 34.320 1.920 18375 2953 1 5 . 1 1 98 98 ARG H H 98 8.380 8.380 8.159 0.221 18375 2954 1 5 . 1 1 99 99 THR N N 99 118.220 118.220 120.131 -1.911 18375 2955 1 5 . 1 1 99 99 THR HA H 99 5.280 5.280 5.162 0.118 18375 2956 1 5 . 1 1 99 99 THR C C 99 173.930 173.930 174.142 -0.212 18375 2957 1 5 . 1 1 99 99 THR CA C 99 62.820 62.820 61.732 1.088 18375 2958 1 5 . 1 1 99 99 THR CB C 99 71.360 71.360 69.718 1.642 18375 2959 1 5 . 1 1 99 99 THR H H 99 8.650 8.650 8.447 0.203 18375 2960 1 5 . 1 1 100 100 ILE N N 100 112.130 112.130 128.632 -16.502 18375 2961 1 5 . 1 1 100 100 ILE HA H 100 4.290 4.290 4.234 0.056 18375 2962 1 5 . 1 1 100 100 ILE C C 100 175.190 175.190 175.612 -0.422 18375 2963 1 5 . 1 1 100 100 ILE CA C 100 60.340 60.340 59.116 1.224 18375 2964 1 5 . 1 1 100 100 ILE CB C 100 40.390 40.390 36.981 3.409 18375 2965 1 5 . 1 1 100 100 ILE H H 100 9.560 9.560 9.184 0.376 18375 2966 1 5 . 1 1 101 101 SER N N 101 121.940 121.940 123.387 -1.447 18375 2967 1 5 . 1 1 101 101 SER HA H 101 4.120 4.120 4.587 -0.467 18375 2968 1 5 . 1 1 101 101 SER C C 101 174.230 174.230 175.465 -1.235 18375 2969 1 5 . 1 1 101 101 SER CA C 101 59.450 59.450 57.043 2.407 18375 2970 1 5 . 1 1 101 101 SER CB C 101 65.410 65.410 64.528 0.883 18375 2971 1 5 . 1 1 101 101 SER H H 101 8.860 8.860 8.268 0.591 18375 2972 1 5 . 1 1 102 102 ALA N N 102 123.870 123.870 130.830 -6.960 18375 2973 1 5 . 1 1 102 102 ALA HA H 102 3.910 3.910 3.997 -0.087 18375 2974 1 5 . 1 1 102 102 ALA C C 102 170.440 170.440 179.687 -9.247 18375 2975 1 5 . 1 1 102 102 ALA CA C 102 56.360 56.360 55.100 1.260 18375 2976 1 5 . 1 1 102 102 ALA CB C 102 19.430 19.430 18.476 0.954 18375 2977 1 5 . 1 1 102 102 ALA H H 102 8.860 8.860 9.051 -0.191 18375 2978 1 5 . 1 1 103 103 SER N N 103 109.980 109.980 113.588 -3.608 18375 2979 1 5 . 1 1 103 103 SER HA H 103 4.200 4.200 4.059 0.141 18375 2980 1 5 . 1 1 103 103 SER C C 103 176.050 176.050 176.183 -0.133 18375 2981 1 5 . 1 1 103 103 SER CA C 103 61.680 61.680 61.270 0.410 18375 2982 1 5 . 1 1 103 103 SER CB C 103 63.640 63.640 62.935 0.705 18375 2983 1 5 . 1 1 103 103 SER H H 103 8.180 8.180 8.025 0.155 18375 2984 1 5 . 1 1 104 104 GLU N N 104 121.250 121.250 120.006 1.244 18375 2985 1 5 . 1 1 104 104 GLU HA H 104 4.260 4.260 4.077 0.183 18375 2986 1 5 . 1 1 104 104 GLU C C 104 178.240 178.240 178.621 -0.381 18375 2987 1 5 . 1 1 104 104 GLU CA C 104 57.960 57.960 57.856 0.104 18375 2988 1 5 . 1 1 104 104 GLU CB C 104 32.210 32.210 29.872 2.338 18375 2989 1 5 . 1 1 104 104 GLU H H 104 7.560 7.560 7.605 -0.045 18375 2990 1 5 . 1 1 105 105 ALA N N 105 121.520 121.520 124.120 -2.600 18375 2991 1 5 . 1 1 105 105 ALA HA H 105 4.060 4.060 4.382 -0.322 18375 2992 1 5 . 1 1 105 105 ALA C C 105 170.230 170.230 179.841 -9.611 18375 2993 1 5 . 1 1 105 105 ALA CA C 105 57.080 57.080 55.191 1.889 18375 2994 1 5 . 1 1 105 105 ALA CB C 105 19.320 19.320 18.352 0.968 18375 2995 1 5 . 1 1 105 105 ALA H H 105 8.280 8.280 8.481 -0.201 18375 2996 1 5 . 1 1 106 106 GLY N N 106 121.950 121.950 105.390 16.560 18375 2997 1 5 . 1 1 106 106 GLY C C 106 174.110 174.110 175.080 -0.970 18375 2998 1 5 . 1 1 106 106 GLY CA C 106 46.780 46.780 46.087 0.694 18375 2999 1 5 . 1 1 106 106 GLY H H 106 8.360 8.360 8.137 0.223 18375 3000 1 5 . 1 1 107 107 ASN N N 107 117.130 117.130 119.223 -2.093 18375 3001 1 5 . 1 1 107 107 ASN HA H 107 4.480 4.480 4.533 -0.053 18375 3002 1 5 . 1 1 107 107 ASN C C 107 175.110 175.110 174.826 0.284 18375 3003 1 5 . 1 1 107 107 ASN CA C 107 54.220 54.220 53.301 0.919 18375 3004 1 5 . 1 1 107 107 ASN CB C 107 38.890 38.890 39.325 -0.435 18375 3005 1 5 . 1 1 107 107 ASN H H 107 7.830 7.830 7.554 0.276 18375 3006 1 5 . 1 1 108 108 TYR N N 108 117.300 117.300 116.234 1.066 18375 3007 1 5 . 1 1 108 108 TYR HA H 108 4.620 4.620 4.782 -0.162 18375 3008 1 5 . 1 1 108 108 TYR C C 108 174.810 174.810 175.012 -0.202 18375 3009 1 5 . 1 1 108 108 TYR CA C 108 58.700 58.700 56.893 1.807 18375 3010 1 5 . 1 1 108 108 TYR CB C 108 41.260 41.260 39.596 1.664 18375 3011 1 5 . 1 1 108 108 TYR H H 108 7.020 7.020 7.201 -0.181 18375 3012 1 5 . 1 1 109 109 ASN N N 109 117.260 117.260 118.154 -0.894 18375 3013 1 5 . 1 1 109 109 ASN HA H 109 5.020 5.020 4.846 0.174 18375 3014 1 5 . 1 1 109 109 ASN C C 109 173.590 173.590 173.605 -0.015 18375 3015 1 5 . 1 1 109 109 ASN CA C 109 53.140 53.140 51.746 1.394 18375 3016 1 5 . 1 1 109 109 ASN CB C 109 41.590 41.590 41.666 -0.076 18375 3017 1 5 . 1 1 109 109 ASN H H 109 7.910 7.910 8.106 -0.196 18375 3018 1 5 . 1 1 110 110 TYR N N 110 117.410 117.410 119.218 -1.808 18375 3019 1 5 . 1 1 110 110 TYR HA H 110 5.300 5.300 5.121 0.179 18375 3020 1 5 . 1 1 110 110 TYR C C 110 174.450 174.450 173.329 1.121 18375 3021 1 5 . 1 1 110 110 TYR CA C 110 57.740 57.740 55.303 2.437 18375 3022 1 5 . 1 1 110 110 TYR CB C 110 41.580 41.580 40.889 0.691 18375 3023 1 5 . 1 1 110 110 TYR H H 110 9.340 9.340 8.324 1.016 18375 3024 1 5 . 1 1 111 111 ILE N N 111 123.080 123.080 115.502 7.578 18375 3025 1 5 . 1 1 111 111 ILE HA H 111 4.360 4.360 5.023 -0.663 18375 3026 1 5 . 1 1 111 111 ILE C C 111 175.250 175.250 174.024 1.226 18375 3027 1 5 . 1 1 111 111 ILE CA C 111 61.530 61.530 60.264 1.266 18375 3028 1 5 . 1 1 111 111 ILE CB C 111 40.560 40.560 41.124 -0.564 18375 3029 1 5 . 1 1 111 111 ILE H H 111 9.320 9.320 8.368 0.952 18375 3030 1 5 . 1 1 112 112 HIS N N 112 109.020 109.020 124.213 -15.193 18375 3031 1 5 . 1 1 112 112 HIS HA H 112 4.560 4.560 4.822 -0.262 18375 3032 1 5 . 1 1 112 112 HIS C C 112 173.980 173.980 175.152 -1.172 18375 3033 1 5 . 1 1 112 112 HIS CA C 112 57.550 57.550 54.676 2.874 18375 3034 1 5 . 1 1 112 112 HIS CB C 112 31.350 31.350 33.685 -2.335 18375 3035 1 5 . 1 1 112 112 HIS H H 112 8.710 8.710 9.017 -0.307 18375 3036 1 6 . 1 1 3 3 SER HA H 3 4.510 4.510 4.905 -0.395 18375 3037 1 6 . 1 1 3 3 SER C C 3 174.460 174.460 174.867 -0.407 18375 3038 1 6 . 1 1 3 3 SER CA C 3 59.400 59.400 58.460 0.940 18375 3039 1 6 . 1 1 3 3 SER CB C 3 64.820 64.820 63.289 1.530 18375 3040 1 6 . 1 1 4 4 ILE N N 4 121.890 121.890 120.105 1.785 18375 3041 1 6 . 1 1 4 4 ILE HA H 4 4.210 4.210 4.158 0.052 18375 3042 1 6 . 1 1 4 4 ILE C C 4 176.040 176.040 177.064 -1.024 18375 3043 1 6 . 1 1 4 4 ILE CA C 4 62.180 62.180 61.236 0.944 18375 3044 1 6 . 1 1 4 4 ILE CB C 4 39.930 39.930 37.300 2.630 18375 3045 1 6 . 1 1 4 4 ILE H H 4 8.180 8.180 7.906 0.274 18375 3046 1 6 . 1 1 5 5 SER N N 5 119.230 119.230 116.357 2.873 18375 3047 1 6 . 1 1 5 5 SER C C 5 174.290 174.290 175.255 -0.965 18375 3048 1 6 . 1 1 5 5 SER CA C 5 59.140 59.140 61.099 -1.959 18375 3049 1 6 . 1 1 5 5 SER CB C 5 64.930 64.930 63.492 1.438 18375 3050 1 6 . 1 1 5 5 SER H H 5 8.270 8.270 8.166 0.104 18375 3051 1 6 . 1 1 6 6 HIS HA H 6 4.650 4.650 4.671 -0.021 18375 3052 1 6 . 1 1 6 6 HIS CA C 6 57.240 57.240 55.908 1.332 18375 3053 1 6 . 1 1 6 6 HIS CB C 6 31.150 31.150 30.629 0.521 18375 3054 1 6 . 1 1 7 7 SER N N 7 117.260 117.260 115.236 2.024 18375 3055 1 6 . 1 1 7 7 SER HA H 7 4.430 4.430 4.518 -0.088 18375 3056 1 6 . 1 1 7 7 SER C C 7 174.890 174.890 175.384 -0.494 18375 3057 1 6 . 1 1 7 7 SER CA C 7 59.750 59.750 59.351 0.399 18375 3058 1 6 . 1 1 7 7 SER CB C 7 64.890 64.890 61.996 2.894 18375 3059 1 6 . 1 1 7 7 SER H H 7 8.360 8.360 7.934 0.426 18375 3060 1 6 . 1 1 8 8 GLY N N 8 110.140 110.140 109.247 0.893 18375 3061 1 6 . 1 1 8 8 GLY C C 8 173.340 173.340 173.212 0.128 18375 3062 1 6 . 1 1 8 8 GLY CA C 8 45.920 45.920 46.033 -0.114 18375 3063 1 6 . 1 1 8 8 GLY H H 8 8.500 8.500 8.666 -0.166 18375 3064 1 6 . 1 1 9 9 ASN N N 9 118.840 118.840 115.307 3.533 18375 3065 1 6 . 1 1 9 9 ASN HA H 9 3.430 3.430 4.894 -1.464 18375 3066 1 6 . 1 1 9 9 ASN C C 9 175.460 175.460 175.222 0.238 18375 3067 1 6 . 1 1 9 9 ASN CA C 9 53.400 53.400 52.384 1.016 18375 3068 1 6 . 1 1 9 9 ASN CB C 9 38.780 38.780 40.613 -1.833 18375 3069 1 6 . 1 1 9 9 ASN H H 9 8.280 8.280 7.803 0.477 18375 3070 1 6 . 1 1 10 10 LEU N N 10 125.560 125.560 121.510 4.050 18375 3071 1 6 . 1 1 10 10 LEU HA H 10 4.250 4.250 4.367 -0.117 18375 3072 1 6 . 1 1 10 10 LEU C C 10 177.320 177.320 177.197 0.123 18375 3073 1 6 . 1 1 10 10 LEU CA C 10 55.080 55.080 55.267 -0.187 18375 3074 1 6 . 1 1 10 10 LEU CB C 10 42.110 42.110 42.232 -0.122 18375 3075 1 6 . 1 1 10 10 LEU H H 10 6.850 6.850 8.600 -1.750 18375 3076 1 6 . 1 1 11 11 TYR N N 11 120.920 120.920 118.996 1.924 18375 3077 1 6 . 1 1 11 11 TYR HA H 11 4.350 4.350 4.293 0.057 18375 3078 1 6 . 1 1 11 11 TYR C C 11 174.800 174.800 177.921 -3.121 18375 3079 1 6 . 1 1 11 11 TYR CA C 11 60.200 60.200 59.700 0.500 18375 3080 1 6 . 1 1 11 11 TYR CB C 11 38.520 38.520 40.164 -1.644 18375 3081 1 6 . 1 1 11 11 TYR H H 11 7.680 7.680 8.484 -0.804 18375 3082 1 6 . 1 1 12 12 THR N N 12 118.320 118.320 116.471 1.849 18375 3083 1 6 . 1 1 12 12 THR HA H 12 3.680 3.680 3.994 -0.314 18375 3084 1 6 . 1 1 12 12 THR C C 12 173.180 173.180 173.367 -0.187 18375 3085 1 6 . 1 1 12 12 THR CA C 12 65.310 65.310 65.048 0.262 18375 3086 1 6 . 1 1 12 12 THR CB C 12 70.080 70.080 69.171 0.909 18375 3087 1 6 . 1 1 12 12 THR H H 12 8.320 8.320 8.808 -0.488 18375 3088 1 6 . 1 1 13 13 ALA N N 13 111.540 111.540 121.484 -9.944 18375 3089 1 6 . 1 1 13 13 ALA HA H 13 3.690 3.690 3.281 0.409 18375 3090 1 6 . 1 1 13 13 ALA CA C 13 53.700 53.700 51.858 1.842 18375 3091 1 6 . 1 1 13 13 ALA H H 13 8.150 8.150 7.658 0.492 18375 3092 1 6 . 1 1 14 14 GLY N N 14 109.410 109.410 107.345 2.065 18375 3093 1 6 . 1 1 14 14 GLY C C 14 173.310 173.310 174.547 -1.237 18375 3094 1 6 . 1 1 14 14 GLY CA C 14 44.150 44.150 45.120 -0.970 18375 3095 1 6 . 1 1 14 14 GLY H H 14 4.990 4.990 6.506 -1.516 18375 3096 1 6 . 1 1 15 15 GLN N N 15 115.720 115.720 117.352 -1.632 18375 3097 1 6 . 1 1 15 15 GLN HA H 15 4.410 4.410 4.428 -0.018 18375 3098 1 6 . 1 1 15 15 GLN C C 15 176.310 176.310 176.761 -0.451 18375 3099 1 6 . 1 1 15 15 GLN CA C 15 55.570 55.570 55.243 0.327 18375 3100 1 6 . 1 1 15 15 GLN CB C 15 31.180 31.180 30.008 1.172 18375 3101 1 6 . 1 1 15 15 GLN H H 15 7.170 7.170 7.803 -0.633 18375 3102 1 6 . 1 1 16 16 CYS N N 16 118.020 118.020 120.535 -2.515 18375 3103 1 6 . 1 1 16 16 CYS HA H 16 4.590 4.590 4.303 0.287 18375 3104 1 6 . 1 1 16 16 CYS C C 16 176.730 176.730 176.553 0.177 18375 3105 1 6 . 1 1 16 16 CYS CA C 16 61.050 61.050 63.047 -1.997 18375 3106 1 6 . 1 1 16 16 CYS CB C 16 28.600 28.600 27.358 1.242 18375 3107 1 6 . 1 1 16 16 CYS H H 16 9.300 9.300 9.387 -0.087 18375 3108 1 6 . 1 1 17 17 THR N N 17 113.910 113.910 112.594 1.316 18375 3109 1 6 . 1 1 17 17 THR HA H 17 3.180 3.180 4.217 -1.037 18375 3110 1 6 . 1 1 17 17 THR C C 17 174.260 174.260 176.280 -2.020 18375 3111 1 6 . 1 1 17 17 THR CA C 17 62.800 62.800 65.550 -2.750 18375 3112 1 6 . 1 1 17 17 THR CB C 17 69.000 69.000 68.308 0.692 18375 3113 1 6 . 1 1 17 17 THR H H 17 7.300 7.300 8.445 -1.145 18375 3114 1 6 . 1 1 18 18 TRP N N 18 123.650 123.650 124.233 -0.583 18375 3115 1 6 . 1 1 18 18 TRP HA H 18 4.380 4.380 4.419 -0.039 18375 3116 1 6 . 1 1 18 18 TRP C C 18 177.910 177.910 177.723 0.187 18375 3117 1 6 . 1 1 18 18 TRP CA C 18 61.600 61.600 60.783 0.817 18375 3118 1 6 . 1 1 18 18 TRP CB C 18 31.320 31.320 29.432 1.888 18375 3119 1 6 . 1 1 18 18 TRP H H 18 6.640 6.640 7.528 -0.888 18375 3120 1 6 . 1 1 19 19 TYR N N 19 115.660 115.660 119.757 -4.097 18375 3121 1 6 . 1 1 19 19 TYR HA H 19 4.120 4.120 4.126 -0.006 18375 3122 1 6 . 1 1 19 19 TYR C C 19 177.170 177.170 177.549 -0.379 18375 3123 1 6 . 1 1 19 19 TYR CA C 19 61.370 61.370 62.638 -1.268 18375 3124 1 6 . 1 1 19 19 TYR CB C 19 42.110 42.110 38.585 3.525 18375 3125 1 6 . 1 1 19 19 TYR H H 19 7.680 7.680 9.077 -1.397 18375 3126 1 6 . 1 1 20 20 VAL N N 20 116.740 116.740 119.469 -2.729 18375 3127 1 6 . 1 1 20 20 VAL HA H 20 3.030 3.030 3.572 -0.542 18375 3128 1 6 . 1 1 20 20 VAL C C 20 176.410 176.410 177.848 -1.438 18375 3129 1 6 . 1 1 20 20 VAL CA C 20 68.360 68.360 67.757 0.603 18375 3130 1 6 . 1 1 20 20 VAL CB C 20 32.210 32.210 31.723 0.487 18375 3131 1 6 . 1 1 20 20 VAL H H 20 7.450 7.450 7.927 -0.477 18375 3132 1 6 . 1 1 21 21 TYR N N 21 118.550 118.550 121.048 -2.498 18375 3133 1 6 . 1 1 21 21 TYR HA H 21 3.560 3.560 4.213 -0.653 18375 3134 1 6 . 1 1 21 21 TYR C C 21 176.490 176.490 177.288 -0.798 18375 3135 1 6 . 1 1 21 21 TYR CA C 21 63.990 63.990 61.441 2.549 18375 3136 1 6 . 1 1 21 21 TYR CB C 21 38.970 38.970 38.379 0.591 18375 3137 1 6 . 1 1 21 21 TYR H H 21 8.370 8.370 8.503 -0.133 18375 3138 1 6 . 1 1 22 22 ASP N N 22 115.760 115.760 118.857 -3.097 18375 3139 1 6 . 1 1 22 22 ASP HA H 22 4.260 4.260 4.078 0.182 18375 3140 1 6 . 1 1 22 22 ASP C C 22 169.690 169.690 178.837 -9.147 18375 3141 1 6 . 1 1 22 22 ASP CA C 22 58.010 58.010 56.551 1.459 18375 3142 1 6 . 1 1 22 22 ASP CB C 22 41.770 41.770 40.573 1.197 18375 3143 1 6 . 1 1 22 22 ASP H H 22 6.880 6.880 7.919 -1.039 18375 3144 1 6 . 1 1 23 23 LYS N N 23 121.790 121.790 118.533 3.257 18375 3145 1 6 . 1 1 23 23 LYS HA H 23 3.610 3.610 3.758 -0.148 18375 3146 1 6 . 1 1 23 23 LYS C C 23 178.360 178.360 178.549 -0.189 18375 3147 1 6 . 1 1 23 23 LYS CA C 23 57.990 57.990 57.965 0.025 18375 3148 1 6 . 1 1 23 23 LYS CB C 23 31.350 31.350 31.781 -0.431 18375 3149 1 6 . 1 1 23 23 LYS H H 23 7.820 7.820 7.884 -0.064 18375 3150 1 6 . 1 1 24 24 VAL N N 24 108.790 108.790 110.996 -2.206 18375 3151 1 6 . 1 1 24 24 VAL HA H 24 4.390 4.390 4.026 0.364 18375 3152 1 6 . 1 1 24 24 VAL C C 24 176.840 176.840 176.008 0.832 18375 3153 1 6 . 1 1 24 24 VAL CA C 24 61.430 61.430 61.411 0.019 18375 3154 1 6 . 1 1 24 24 VAL CB C 24 31.690 31.690 31.129 0.561 18375 3155 1 6 . 1 1 24 24 VAL H H 24 7.590 7.590 7.526 0.064 18375 3156 1 6 . 1 1 25 25 GLY N N 25 110.620 110.620 107.408 3.212 18375 3157 1 6 . 1 1 25 25 GLY C C 25 175.510 175.510 175.008 0.502 18375 3158 1 6 . 1 1 25 25 GLY CA C 25 47.110 47.110 45.108 2.002 18375 3159 1 6 . 1 1 25 25 GLY H H 25 7.680 7.680 7.405 0.275 18375 3160 1 6 . 1 1 26 26 GLY N N 26 122.410 122.410 107.198 15.212 18375 3161 1 6 . 1 1 26 26 GLY C C 26 174.470 174.470 174.354 0.116 18375 3162 1 6 . 1 1 26 26 GLY CA C 26 46.440 46.440 44.902 1.538 18375 3163 1 6 . 1 1 26 26 GLY H H 26 7.870 7.870 8.052 -0.182 18375 3164 1 6 . 1 1 27 27 GLU N N 27 116.720 116.720 118.195 -1.475 18375 3165 1 6 . 1 1 27 27 GLU HA H 27 4.150 4.150 4.036 0.114 18375 3166 1 6 . 1 1 27 27 GLU C C 27 175.810 175.810 176.073 -0.263 18375 3167 1 6 . 1 1 27 27 GLU CA C 27 58.110 58.110 58.236 -0.126 18375 3168 1 6 . 1 1 27 27 GLU CB C 27 30.500 30.500 30.335 0.164 18375 3169 1 6 . 1 1 27 27 GLU H H 27 6.650 6.650 7.490 -0.840 18375 3170 1 6 . 1 1 28 28 ILE N N 28 125.210 125.210 114.285 10.925 18375 3171 1 6 . 1 1 28 28 ILE HA H 28 4.040 4.040 4.234 -0.194 18375 3172 1 6 . 1 1 28 28 ILE CA C 28 60.160 60.160 59.734 0.426 18375 3173 1 6 . 1 1 28 28 ILE CB C 28 40.940 40.940 40.240 0.700 18375 3174 1 6 . 1 1 28 28 ILE H H 28 6.330 6.330 7.478 -1.148 18375 3175 1 6 . 1 1 29 29 GLY C C 29 174.050 174.050 174.283 -0.233 18375 3176 1 6 . 1 1 29 29 GLY CA C 29 46.190 46.190 44.790 1.400 18375 3177 1 6 . 1 1 30 30 SER N N 30 115.530 115.530 114.776 0.754 18375 3178 1 6 . 1 1 30 30 SER HA H 30 4.140 4.140 3.368 0.772 18375 3179 1 6 . 1 1 30 30 SER C C 30 174.000 174.000 174.773 -0.773 18375 3180 1 6 . 1 1 30 30 SER CA C 30 60.180 60.180 60.178 0.002 18375 3181 1 6 . 1 1 30 30 SER CB C 30 65.150 65.150 61.231 3.919 18375 3182 1 6 . 1 1 30 30 SER H H 30 8.540 8.540 7.432 1.108 18375 3183 1 6 . 1 1 31 31 THR N N 31 124.440 124.440 117.221 7.219 18375 3184 1 6 . 1 1 31 31 THR HA H 31 4.460 4.460 4.422 0.038 18375 3185 1 6 . 1 1 31 31 THR C C 31 175.390 175.390 174.036 1.354 18375 3186 1 6 . 1 1 31 31 THR CA C 31 61.350 61.350 61.277 0.073 18375 3187 1 6 . 1 1 31 31 THR CB C 31 69.190 69.190 68.794 0.396 18375 3188 1 6 . 1 1 31 31 THR H H 31 7.070 7.070 8.274 -1.204 18375 3189 1 6 . 1 1 32 32 TRP N N 32 121.120 121.120 118.347 2.773 18375 3190 1 6 . 1 1 32 32 TRP HA H 32 4.470 4.470 4.536 -0.066 18375 3191 1 6 . 1 1 32 32 TRP C C 32 175.720 175.720 175.899 -0.179 18375 3192 1 6 . 1 1 32 32 TRP CA C 32 57.500 57.500 54.266 3.235 18375 3193 1 6 . 1 1 32 32 TRP CB C 32 28.670 28.670 28.044 0.626 18375 3194 1 6 . 1 1 32 32 TRP H H 32 7.750 7.750 7.270 0.480 18375 3195 1 6 . 1 1 33 33 GLY N N 33 125.330 125.330 109.721 15.609 18375 3196 1 6 . 1 1 33 33 GLY C C 33 175.520 175.520 173.409 2.111 18375 3197 1 6 . 1 1 33 33 GLY CA C 33 46.390 46.390 45.863 0.527 18375 3198 1 6 . 1 1 33 33 GLY H H 33 8.580 8.580 7.754 0.826 18375 3199 1 6 . 1 1 34 34 ASN N N 34 118.870 118.870 121.126 -2.256 18375 3200 1 6 . 1 1 34 34 ASN HA H 34 4.720 4.720 5.559 -0.839 18375 3201 1 6 . 1 1 34 34 ASN C C 34 175.710 175.710 176.802 -1.092 18375 3202 1 6 . 1 1 34 34 ASN CA C 34 54.630 54.630 51.620 3.010 18375 3203 1 6 . 1 1 34 34 ASN CB C 34 40.050 40.050 41.047 -0.997 18375 3204 1 6 . 1 1 34 34 ASN H H 34 8.780 8.780 8.425 0.355 18375 3205 1 6 . 1 1 35 35 ALA N N 35 121.960 121.960 123.821 -1.861 18375 3206 1 6 . 1 1 35 35 ALA HA H 35 2.920 2.920 3.628 -0.708 18375 3207 1 6 . 1 1 35 35 ALA C C 35 169.710 169.710 178.754 -9.044 18375 3208 1 6 . 1 1 35 35 ALA CA C 35 55.950 55.950 55.115 0.835 18375 3209 1 6 . 1 1 35 35 ALA CB C 35 20.460 20.460 18.338 2.122 18375 3210 1 6 . 1 1 35 35 ALA H H 35 8.750 8.750 8.936 -0.186 18375 3211 1 6 . 1 1 36 36 ASN N N 36 114.940 114.940 115.324 -0.384 18375 3212 1 6 . 1 1 36 36 ASN HA H 36 4.170 4.170 4.614 -0.444 18375 3213 1 6 . 1 1 36 36 ASN C C 36 175.200 175.200 175.333 -0.133 18375 3214 1 6 . 1 1 36 36 ASN CA C 36 55.930 55.930 53.557 2.373 18375 3215 1 6 . 1 1 36 36 ASN CB C 36 36.690 36.690 38.385 -1.695 18375 3216 1 6 . 1 1 36 36 ASN H H 36 8.410 8.410 8.282 0.128 18375 3217 1 6 . 1 1 37 37 ASN N N 37 120.180 120.180 118.093 2.087 18375 3218 1 6 . 1 1 37 37 ASN HA H 37 5.060 5.060 5.031 0.029 18375 3219 1 6 . 1 1 37 37 ASN C C 37 176.530 176.530 175.389 1.141 18375 3220 1 6 . 1 1 37 37 ASN CA C 37 54.250 54.250 52.054 2.196 18375 3221 1 6 . 1 1 37 37 ASN CB C 37 41.720 41.720 39.154 2.566 18375 3222 1 6 . 1 1 37 37 ASN H H 37 8.850 8.850 7.896 0.954 18375 3223 1 6 . 1 1 38 38 TRP N N 38 118.410 118.410 123.686 -5.276 18375 3224 1 6 . 1 1 38 38 TRP HA H 38 4.190 4.190 4.579 -0.389 18375 3225 1 6 . 1 1 38 38 TRP C C 38 177.390 177.390 178.365 -0.975 18375 3226 1 6 . 1 1 38 38 TRP CA C 38 63.450 63.450 62.275 1.175 18375 3227 1 6 . 1 1 38 38 TRP CB C 38 29.680 29.680 28.734 0.946 18375 3228 1 6 . 1 1 38 38 TRP H H 38 8.240 8.240 7.640 0.600 18375 3229 1 6 . 1 1 39 39 ALA N N 39 118.400 118.400 119.822 -1.422 18375 3230 1 6 . 1 1 39 39 ALA HA H 39 3.770 3.770 4.012 -0.242 18375 3231 1 6 . 1 1 39 39 ALA C C 39 178.580 178.580 179.687 -1.107 18375 3232 1 6 . 1 1 39 39 ALA CA C 39 56.760 56.760 55.542 1.218 18375 3233 1 6 . 1 1 39 39 ALA CB C 39 18.020 18.020 17.661 0.359 18375 3234 1 6 . 1 1 39 39 ALA H H 39 7.150 7.150 8.874 -1.724 18375 3235 1 6 . 1 1 40 40 ALA N N 40 121.830 121.830 121.092 0.738 18375 3236 1 6 . 1 1 40 40 ALA HA H 40 3.990 3.990 4.205 -0.215 18375 3237 1 6 . 1 1 40 40 ALA C C 40 171.320 171.320 179.571 -8.251 18375 3238 1 6 . 1 1 40 40 ALA CA C 40 55.610 55.610 54.514 1.096 18375 3239 1 6 . 1 1 40 40 ALA CB C 40 18.840 18.840 18.455 0.385 18375 3240 1 6 . 1 1 40 40 ALA H H 40 8.060 8.060 7.660 0.400 18375 3241 1 6 . 1 1 41 41 ALA N N 41 122.200 122.200 120.733 1.467 18375 3242 1 6 . 1 1 41 41 ALA HA H 41 3.630 3.630 3.951 -0.321 18375 3243 1 6 . 1 1 41 41 ALA C C 41 170.110 170.110 179.126 -9.016 18375 3244 1 6 . 1 1 41 41 ALA CA C 41 55.240 55.240 54.675 0.566 18375 3245 1 6 . 1 1 41 41 ALA CB C 41 18.020 18.020 18.779 -0.759 18375 3246 1 6 . 1 1 41 41 ALA H H 41 8.250 8.250 8.349 -0.099 18375 3247 1 6 . 1 1 42 42 ALA N N 42 119.600 119.600 121.594 -1.994 18375 3248 1 6 . 1 1 42 42 ALA HA H 42 3.270 3.270 3.243 0.027 18375 3249 1 6 . 1 1 42 42 ALA C C 42 170.160 170.160 179.432 -9.272 18375 3250 1 6 . 1 1 42 42 ALA CA C 42 55.480 55.480 54.938 0.542 18375 3251 1 6 . 1 1 42 42 ALA CB C 42 19.890 19.890 18.287 1.603 18375 3252 1 6 . 1 1 42 42 ALA H H 42 7.710 7.710 8.763 -1.053 18375 3253 1 6 . 1 1 43 43 GLN N N 43 118.750 118.750 118.158 0.592 18375 3254 1 6 . 1 1 43 43 GLN HA H 43 4.340 4.340 4.240 0.100 18375 3255 1 6 . 1 1 43 43 GLN C C 43 170.980 170.980 178.992 -8.012 18375 3256 1 6 . 1 1 43 43 GLN CA C 43 60.200 60.200 58.021 2.179 18375 3257 1 6 . 1 1 43 43 GLN CB C 43 29.710 29.710 28.947 0.763 18375 3258 1 6 . 1 1 43 43 GLN H H 43 7.880 7.880 7.752 0.128 18375 3259 1 6 . 1 1 44 44 GLY N N 44 125.760 125.760 106.746 19.014 18375 3260 1 6 . 1 1 44 44 GLY C C 44 174.300 174.300 174.899 -0.599 18375 3261 1 6 . 1 1 44 44 GLY CA C 44 47.660 47.660 46.159 1.501 18375 3262 1 6 . 1 1 44 44 GLY H H 44 8.010 8.010 7.983 0.027 18375 3263 1 6 . 1 1 45 45 ALA N N 45 121.480 121.480 122.114 -0.634 18375 3264 1 6 . 1 1 45 45 ALA HA H 45 4.620 4.620 4.125 0.495 18375 3265 1 6 . 1 1 45 45 ALA C C 45 177.190 177.190 177.302 -0.112 18375 3266 1 6 . 1 1 45 45 ALA CA C 45 52.680 52.680 52.002 0.678 18375 3267 1 6 . 1 1 45 45 ALA CB C 45 20.560 20.560 19.380 1.180 18375 3268 1 6 . 1 1 45 45 ALA H H 45 7.540 7.540 7.456 0.084 18375 3269 1 6 . 1 1 46 46 GLY N N 46 123.690 123.690 105.828 17.862 18375 3270 1 6 . 1 1 46 46 GLY C C 46 174.980 174.980 173.929 1.051 18375 3271 1 6 . 1 1 46 46 GLY CA C 46 46.540 46.540 44.675 1.865 18375 3272 1 6 . 1 1 46 46 GLY H H 46 7.680 7.680 7.475 0.205 18375 3273 1 6 . 1 1 47 47 PHE N N 47 119.960 119.960 119.484 0.476 18375 3274 1 6 . 1 1 47 47 PHE HA H 47 4.620 4.620 4.762 -0.142 18375 3275 1 6 . 1 1 47 47 PHE C C 47 176.120 176.120 175.998 0.122 18375 3276 1 6 . 1 1 47 47 PHE CA C 47 59.000 59.000 54.395 4.605 18375 3277 1 6 . 1 1 47 47 PHE CB C 47 40.350 40.350 39.768 0.582 18375 3278 1 6 . 1 1 47 47 PHE H H 47 8.280 8.280 8.005 0.275 18375 3279 1 6 . 1 1 48 48 THR N N 48 120.680 120.680 120.154 0.526 18375 3280 1 6 . 1 1 48 48 THR HA H 48 4.190 4.190 4.546 -0.356 18375 3281 1 6 . 1 1 48 48 THR C C 48 173.000 173.000 173.391 -0.391 18375 3282 1 6 . 1 1 48 48 THR CA C 48 65.150 65.150 61.878 3.272 18375 3283 1 6 . 1 1 48 48 THR CB C 48 70.530 70.530 68.529 2.001 18375 3284 1 6 . 1 1 48 48 THR H H 48 9.260 9.260 8.547 0.713 18375 3285 1 6 . 1 1 49 49 VAL N N 49 111.320 111.320 126.214 -14.894 18375 3286 1 6 . 1 1 49 49 VAL HA H 49 5.380 5.380 5.025 0.355 18375 3287 1 6 . 1 1 49 49 VAL C C 49 175.570 175.570 174.598 0.972 18375 3288 1 6 . 1 1 49 49 VAL CA C 49 61.510 61.510 60.777 0.733 18375 3289 1 6 . 1 1 49 49 VAL CB C 49 34.960 34.960 32.925 2.035 18375 3290 1 6 . 1 1 49 49 VAL H H 49 8.560 8.560 8.323 0.237 18375 3291 1 6 . 1 1 50 50 ASN N N 50 125.000 125.000 126.684 -1.684 18375 3292 1 6 . 1 1 50 50 ASN HA H 50 4.800 4.800 5.184 -0.384 18375 3293 1 6 . 1 1 50 50 ASN C C 50 174.270 174.270 173.813 0.457 18375 3294 1 6 . 1 1 50 50 ASN CA C 50 53.430 53.430 52.634 0.796 18375 3295 1 6 . 1 1 50 50 ASN CB C 50 39.100 39.100 41.020 -1.920 18375 3296 1 6 . 1 1 50 50 ASN H H 50 9.010 9.010 8.628 0.382 18375 3297 1 6 . 1 1 51 51 HIS N N 51 114.650 114.650 115.266 -0.616 18375 3298 1 6 . 1 1 51 51 HIS HA H 51 5.760 5.760 5.033 0.727 18375 3299 1 6 . 1 1 51 51 HIS C C 51 174.060 174.060 172.961 1.099 18375 3300 1 6 . 1 1 51 51 HIS CA C 51 56.360 56.360 55.933 0.427 18375 3301 1 6 . 1 1 51 51 HIS CB C 51 29.980 29.980 29.760 0.220 18375 3302 1 6 . 1 1 51 51 HIS H H 51 8.550 8.550 8.331 0.219 18375 3303 1 6 . 1 1 52 52 THR N N 52 119.910 119.910 118.353 1.557 18375 3304 1 6 . 1 1 52 52 THR HA H 52 4.600 4.600 4.592 0.008 18375 3305 1 6 . 1 1 52 52 THR CA C 52 60.140 60.140 59.556 0.584 18375 3306 1 6 . 1 1 52 52 THR CB C 52 71.890 71.890 71.007 0.883 18375 3307 1 6 . 1 1 52 52 THR H H 52 8.500 8.500 7.182 1.318 18375 3308 1 6 . 1 1 53 53 PRO HA H 53 2.920 2.920 4.250 -1.330 18375 3309 1 6 . 1 1 53 53 PRO C C 53 175.410 175.410 175.553 -0.143 18375 3310 1 6 . 1 1 53 53 PRO CA C 53 62.460 62.460 62.818 -0.358 18375 3311 1 6 . 1 1 53 53 PRO CB C 53 33.410 33.410 32.112 1.298 18375 3312 1 6 . 1 1 54 54 SER N N 54 108.990 108.990 114.668 -5.678 18375 3313 1 6 . 1 1 54 54 SER HA H 54 4.300 4.300 4.522 -0.222 18375 3314 1 6 . 1 1 54 54 SER C C 54 172.380 172.380 172.953 -0.573 18375 3315 1 6 . 1 1 54 54 SER CA C 54 58.270 58.270 57.408 0.862 18375 3316 1 6 . 1 1 54 54 SER CB C 54 66.620 66.620 66.237 0.383 18375 3317 1 6 . 1 1 54 54 SER H H 54 6.000 6.000 8.092 -2.092 18375 3318 1 6 . 1 1 55 55 LYS N N 55 124.470 124.470 123.688 0.782 18375 3319 1 6 . 1 1 55 55 LYS HA H 55 3.500 3.500 3.805 -0.305 18375 3320 1 6 . 1 1 55 55 LYS C C 55 177.150 177.150 177.599 -0.449 18375 3321 1 6 . 1 1 55 55 LYS CA C 55 59.850 59.850 57.688 2.162 18375 3322 1 6 . 1 1 55 55 LYS CB C 55 33.010 33.010 32.178 0.832 18375 3323 1 6 . 1 1 55 55 LYS H H 55 8.860 8.860 8.705 0.155 18375 3324 1 6 . 1 1 56 56 GLY N N 56 116.710 116.710 114.051 2.659 18375 3325 1 6 . 1 1 56 56 GLY C C 56 173.430 173.430 173.449 -0.019 18375 3326 1 6 . 1 1 56 56 GLY CA C 56 45.600 45.600 44.664 0.936 18375 3327 1 6 . 1 1 56 56 GLY H H 56 8.950 8.950 8.738 0.212 18375 3328 1 6 . 1 1 57 57 ALA N N 57 118.940 118.940 122.359 -3.419 18375 3329 1 6 . 1 1 57 57 ALA HA H 57 4.630 4.630 4.710 -0.080 18375 3330 1 6 . 1 1 57 57 ALA C C 57 174.570 174.570 175.268 -0.698 18375 3331 1 6 . 1 1 57 57 ALA CA C 57 51.840 51.840 50.366 1.474 18375 3332 1 6 . 1 1 57 57 ALA CB C 57 20.960 20.960 21.594 -0.634 18375 3333 1 6 . 1 1 57 57 ALA H H 57 7.420 7.420 7.889 -0.469 18375 3334 1 6 . 1 1 58 58 ILE N N 58 117.340 117.340 117.238 0.102 18375 3335 1 6 . 1 1 58 58 ILE HA H 58 4.720 4.720 4.745 -0.025 18375 3336 1 6 . 1 1 58 58 ILE C C 58 176.920 176.920 174.386 2.534 18375 3337 1 6 . 1 1 58 58 ILE CA C 58 60.910 60.910 60.608 0.302 18375 3338 1 6 . 1 1 58 58 ILE CB C 58 41.820 41.820 42.348 -0.528 18375 3339 1 6 . 1 1 58 58 ILE H H 58 8.350 8.350 8.377 -0.027 18375 3340 1 6 . 1 1 59 59 LEU N N 59 112.330 112.330 125.901 -13.571 18375 3341 1 6 . 1 1 59 59 LEU HA H 59 4.220 4.220 4.835 -0.615 18375 3342 1 6 . 1 1 59 59 LEU C C 59 174.530 174.530 174.694 -0.164 18375 3343 1 6 . 1 1 59 59 LEU CA C 59 56.430 56.430 53.060 3.370 18375 3344 1 6 . 1 1 59 59 LEU CB C 59 44.160 44.160 44.019 0.141 18375 3345 1 6 . 1 1 59 59 LEU H H 59 8.430 8.430 8.991 -0.561 18375 3346 1 6 . 1 1 60 60 GLN N N 60 111.170 111.170 127.504 -16.334 18375 3347 1 6 . 1 1 60 60 GLN HA H 60 4.970 4.970 5.312 -0.342 18375 3348 1 6 . 1 1 60 60 GLN C C 60 172.980 172.980 174.263 -1.283 18375 3349 1 6 . 1 1 60 60 GLN CA C 60 56.720 56.720 53.805 2.915 18375 3350 1 6 . 1 1 60 60 GLN CB C 60 30.950 30.950 31.763 -0.813 18375 3351 1 6 . 1 1 60 60 GLN H H 60 9.490 9.490 8.474 1.016 18375 3352 1 6 . 1 1 61 61 SER N N 61 118.550 118.550 118.104 0.446 18375 3353 1 6 . 1 1 61 61 SER HA H 61 4.940 4.940 4.735 0.205 18375 3354 1 6 . 1 1 61 61 SER C C 61 174.370 174.370 174.720 -0.350 18375 3355 1 6 . 1 1 61 61 SER CA C 61 56.570 56.570 55.400 1.170 18375 3356 1 6 . 1 1 61 61 SER CB C 61 67.130 67.130 64.811 2.319 18375 3357 1 6 . 1 1 61 61 SER H H 61 8.800 8.800 8.959 -0.159 18375 3358 1 6 . 1 1 62 62 SER N N 62 120.910 120.910 119.438 1.472 18375 3359 1 6 . 1 1 62 62 SER HA H 62 4.540 4.540 4.319 0.221 18375 3360 1 6 . 1 1 62 62 SER C C 62 173.560 173.560 175.164 -1.604 18375 3361 1 6 . 1 1 62 62 SER CA C 62 59.270 59.270 60.662 -1.392 18375 3362 1 6 . 1 1 62 62 SER CB C 62 64.390 64.390 63.516 0.874 18375 3363 1 6 . 1 1 62 62 SER H H 62 8.900 8.900 8.703 0.197 18375 3364 1 6 . 1 1 63 63 GLU N N 63 121.810 121.810 117.562 4.248 18375 3365 1 6 . 1 1 63 63 GLU HA H 63 4.220 4.220 4.025 0.195 18375 3366 1 6 . 1 1 63 63 GLU C C 63 176.030 176.030 176.577 -0.547 18375 3367 1 6 . 1 1 63 63 GLU CA C 63 57.840 57.840 57.901 -0.061 18375 3368 1 6 . 1 1 63 63 GLU CB C 63 32.170 32.170 28.688 3.482 18375 3369 1 6 . 1 1 63 63 GLU H H 63 8.040 8.040 8.348 -0.308 18375 3370 1 6 . 1 1 64 64 GLY N N 64 125.900 125.900 108.114 17.786 18375 3371 1 6 . 1 1 64 64 GLY CA C 64 45.490 45.490 45.446 0.044 18375 3372 1 6 . 1 1 64 64 GLY H H 64 8.200 8.200 8.796 -0.596 18375 3373 1 6 . 1 1 65 65 PRO HA H 65 4.040 4.040 4.291 -0.251 18375 3374 1 6 . 1 1 65 65 PRO C C 65 177.870 177.870 176.711 1.159 18375 3375 1 6 . 1 1 65 65 PRO CA C 65 65.610 65.610 65.228 0.382 18375 3376 1 6 . 1 1 65 65 PRO CB C 65 32.160 32.160 31.767 0.393 18375 3377 1 6 . 1 1 66 66 PHE N N 66 112.970 112.970 112.935 0.035 18375 3378 1 6 . 1 1 66 66 PHE HA H 66 4.920 4.920 4.888 0.032 18375 3379 1 6 . 1 1 66 66 PHE C C 66 176.190 176.190 174.972 1.218 18375 3380 1 6 . 1 1 66 66 PHE CA C 66 57.420 57.420 55.800 1.620 18375 3381 1 6 . 1 1 66 66 PHE CB C 66 42.360 42.360 40.170 2.190 18375 3382 1 6 . 1 1 66 66 PHE H H 66 8.490 8.490 7.816 0.674 18375 3383 1 6 . 1 1 67 67 GLY N N 67 124.370 124.370 109.245 15.125 18375 3384 1 6 . 1 1 67 67 GLY C C 67 172.480 172.480 172.678 -0.198 18375 3385 1 6 . 1 1 67 67 GLY CA C 67 46.860 46.860 44.466 2.394 18375 3386 1 6 . 1 1 67 67 GLY H H 67 6.940 6.940 7.512 -0.572 18375 3387 1 6 . 1 1 68 68 HIS N N 68 117.820 117.820 118.910 -1.090 18375 3388 1 6 . 1 1 68 68 HIS HA H 68 5.020 5.020 4.600 0.420 18375 3389 1 6 . 1 1 68 68 HIS C C 68 173.790 173.790 173.360 0.430 18375 3390 1 6 . 1 1 68 68 HIS CA C 68 58.230 58.230 55.118 3.111 18375 3391 1 6 . 1 1 68 68 HIS CB C 68 36.120 36.120 32.341 3.779 18375 3392 1 6 . 1 1 68 68 HIS H H 68 8.590 8.590 8.065 0.525 18375 3393 1 6 . 1 1 69 69 VAL N N 69 116.830 116.830 122.766 -5.936 18375 3394 1 6 . 1 1 69 69 VAL HA H 69 5.320 5.320 5.206 0.114 18375 3395 1 6 . 1 1 69 69 VAL C C 69 173.060 173.060 173.424 -0.364 18375 3396 1 6 . 1 1 69 69 VAL CA C 69 58.940 58.940 58.979 -0.039 18375 3397 1 6 . 1 1 69 69 VAL CB C 69 37.700 37.700 33.588 4.112 18375 3398 1 6 . 1 1 69 69 VAL H H 69 6.040 6.040 7.831 -1.791 18375 3399 1 6 . 1 1 70 70 ALA N N 70 120.820 120.820 129.033 -8.213 18375 3400 1 6 . 1 1 70 70 ALA HA H 70 4.510 4.510 4.753 -0.243 18375 3401 1 6 . 1 1 70 70 ALA C C 70 173.870 173.870 175.387 -1.517 18375 3402 1 6 . 1 1 70 70 ALA CA C 70 51.560 51.560 49.967 1.593 18375 3403 1 6 . 1 1 70 70 ALA CB C 70 26.390 26.390 22.372 4.019 18375 3404 1 6 . 1 1 70 70 ALA H H 70 8.890 8.890 8.888 0.002 18375 3405 1 6 . 1 1 71 71 TYR N N 71 121.640 121.640 126.915 -5.275 18375 3406 1 6 . 1 1 71 71 TYR HA H 71 4.890 4.890 4.619 0.271 18375 3407 1 6 . 1 1 71 71 TYR C C 71 174.620 174.620 174.458 0.162 18375 3408 1 6 . 1 1 71 71 TYR CA C 71 58.140 58.140 57.838 0.302 18375 3409 1 6 . 1 1 71 71 TYR CB C 71 42.850 42.850 39.473 3.377 18375 3410 1 6 . 1 1 71 71 TYR H H 71 9.310 9.310 8.621 0.689 18375 3411 1 6 . 1 1 72 72 VAL N N 72 126.010 126.010 127.792 -1.782 18375 3412 1 6 . 1 1 72 72 VAL HA H 72 3.880 3.880 3.977 -0.097 18375 3413 1 6 . 1 1 72 72 VAL C C 72 174.250 174.250 175.760 -1.510 18375 3414 1 6 . 1 1 72 72 VAL CA C 72 64.970 64.970 62.477 2.493 18375 3415 1 6 . 1 1 72 72 VAL CB C 72 31.470 31.470 30.331 1.139 18375 3416 1 6 . 1 1 72 72 VAL H H 72 8.230 8.230 8.816 -0.586 18375 3417 1 6 . 1 1 73 73 GLU N N 73 112.690 112.690 128.217 -15.527 18375 3418 1 6 . 1 1 73 73 GLU HA H 73 4.250 4.250 4.160 0.090 18375 3419 1 6 . 1 1 73 73 GLU C C 73 178.020 178.020 175.964 2.056 18375 3420 1 6 . 1 1 73 73 GLU CA C 73 58.400 58.400 57.221 1.179 18375 3421 1 6 . 1 1 73 73 GLU CB C 73 31.050 31.050 30.764 0.286 18375 3422 1 6 . 1 1 73 73 GLU H H 73 8.820 8.820 8.459 0.361 18375 3423 1 6 . 1 1 74 74 SER N N 74 125.880 125.880 110.603 15.277 18375 3424 1 6 . 1 1 74 74 SER HA H 74 4.330 4.330 4.492 -0.162 18375 3425 1 6 . 1 1 74 74 SER C C 74 172.030 172.030 171.771 0.259 18375 3426 1 6 . 1 1 74 74 SER CA C 74 59.220 59.220 57.948 1.272 18375 3427 1 6 . 1 1 74 74 SER CB C 74 65.620 65.620 65.541 0.079 18375 3428 1 6 . 1 1 74 74 SER H H 74 7.900 7.900 7.526 0.374 18375 3429 1 6 . 1 1 75 75 VAL N N 75 122.760 122.760 122.298 0.462 18375 3430 1 6 . 1 1 75 75 VAL HA H 75 4.320 4.320 4.187 0.133 18375 3431 1 6 . 1 1 75 75 VAL C C 75 176.270 176.270 175.867 0.403 18375 3432 1 6 . 1 1 75 75 VAL CA C 75 63.380 63.380 61.063 2.317 18375 3433 1 6 . 1 1 75 75 VAL CB C 75 32.750 32.750 32.166 0.584 18375 3434 1 6 . 1 1 75 75 VAL H H 75 8.400 8.400 8.552 -0.152 18375 3435 1 6 . 1 1 76 76 ASN N N 76 125.270 125.270 125.702 -0.432 18375 3436 1 6 . 1 1 76 76 ASN HA H 76 4.790 4.790 4.821 -0.031 18375 3437 1 6 . 1 1 76 76 ASN CA C 76 54.260 54.260 52.682 1.578 18375 3438 1 6 . 1 1 76 76 ASN CB C 76 39.960 39.960 39.418 0.542 18375 3439 1 6 . 1 1 76 76 ASN H H 76 9.080 9.080 9.026 0.054 18375 3440 1 6 . 1 1 77 77 SER HA H 77 4.130 4.130 4.324 -0.194 18375 3441 1 6 . 1 1 77 77 SER C C 77 174.410 174.410 174.751 -0.341 18375 3442 1 6 . 1 1 77 77 SER CA C 77 62.670 62.670 60.708 1.962 18375 3443 1 6 . 1 1 77 77 SER CB C 77 63.600 63.600 63.101 0.499 18375 3444 1 6 . 1 1 78 78 ASP N N 78 118.590 118.590 120.082 -1.492 18375 3445 1 6 . 1 1 78 78 ASP HA H 78 4.580 4.580 4.712 -0.132 18375 3446 1 6 . 1 1 78 78 ASP C C 78 176.790 176.790 176.799 -0.009 18375 3447 1 6 . 1 1 78 78 ASP CA C 78 53.960 53.960 54.065 -0.105 18375 3448 1 6 . 1 1 78 78 ASP CB C 78 40.880 40.880 40.666 0.214 18375 3449 1 6 . 1 1 78 78 ASP H H 78 7.980 7.980 8.447 -0.467 18375 3450 1 6 . 1 1 79 79 GLY N N 79 109.220 109.220 107.610 1.610 18375 3451 1 6 . 1 1 79 79 GLY C C 79 173.470 173.470 173.048 0.422 18375 3452 1 6 . 1 1 79 79 GLY CA C 79 46.050 46.050 45.163 0.888 18375 3453 1 6 . 1 1 79 79 GLY H H 79 8.180 8.180 7.797 0.383 18375 3454 1 6 . 1 1 80 80 SER N N 80 114.200 114.200 115.475 -1.275 18375 3455 1 6 . 1 1 80 80 SER HA H 80 4.350 4.350 4.841 -0.491 18375 3456 1 6 . 1 1 80 80 SER C C 80 172.630 172.630 173.754 -1.124 18375 3457 1 6 . 1 1 80 80 SER CA C 80 59.580 59.580 57.161 2.419 18375 3458 1 6 . 1 1 80 80 SER CB C 80 65.710 65.710 65.664 0.046 18375 3459 1 6 . 1 1 80 80 SER H H 80 7.930 7.930 7.553 0.377 18375 3460 1 6 . 1 1 81 81 VAL N N 81 118.060 118.060 122.779 -4.719 18375 3461 1 6 . 1 1 81 81 VAL HA H 81 4.690 4.690 4.334 0.356 18375 3462 1 6 . 1 1 81 81 VAL C C 81 175.220 175.220 175.811 -0.591 18375 3463 1 6 . 1 1 81 81 VAL CA C 81 61.980 61.980 60.836 1.144 18375 3464 1 6 . 1 1 81 81 VAL CB C 81 36.810 36.810 33.455 3.355 18375 3465 1 6 . 1 1 81 81 VAL H H 81 8.820 8.820 8.907 -0.087 18375 3466 1 6 . 1 1 82 82 THR N N 82 125.170 125.170 125.042 0.128 18375 3467 1 6 . 1 1 82 82 THR HA H 82 5.190 5.190 4.941 0.249 18375 3468 1 6 . 1 1 82 82 THR C C 82 174.150 174.150 173.912 0.238 18375 3469 1 6 . 1 1 82 82 THR CA C 82 63.440 63.440 62.636 0.804 18375 3470 1 6 . 1 1 82 82 THR CB C 82 70.520 70.520 68.882 1.638 18375 3471 1 6 . 1 1 82 82 THR H H 82 9.020 9.020 9.046 -0.026 18375 3472 1 6 . 1 1 83 83 ILE N N 83 120.970 120.970 124.099 -3.129 18375 3473 1 6 . 1 1 83 83 ILE HA H 83 5.640 5.640 4.995 0.645 18375 3474 1 6 . 1 1 83 83 ILE C C 83 175.030 175.030 173.837 1.193 18375 3475 1 6 . 1 1 83 83 ILE CA C 83 59.440 59.440 58.815 0.625 18375 3476 1 6 . 1 1 83 83 ILE CB C 83 42.170 42.170 40.858 1.312 18375 3477 1 6 . 1 1 83 83 ILE H H 83 9.280 9.280 9.020 0.260 18375 3478 1 6 . 1 1 84 84 SER N N 84 115.430 115.430 120.145 -4.715 18375 3479 1 6 . 1 1 84 84 SER HA H 84 5.590 5.590 5.512 0.078 18375 3480 1 6 . 1 1 84 84 SER C C 84 173.130 173.130 173.266 -0.136 18375 3481 1 6 . 1 1 84 84 SER CA C 84 58.050 58.050 57.074 0.976 18375 3482 1 6 . 1 1 84 84 SER CB C 84 67.140 67.140 66.159 0.981 18375 3483 1 6 . 1 1 84 84 SER H H 84 9.600 9.600 9.016 0.584 18375 3484 1 6 . 1 1 85 85 GLU N N 85 117.660 117.660 120.438 -2.778 18375 3485 1 6 . 1 1 85 85 GLU HA H 85 5.180 5.180 4.648 0.532 18375 3486 1 6 . 1 1 85 85 GLU C C 85 171.780 171.780 173.699 -1.919 18375 3487 1 6 . 1 1 85 85 GLU CA C 85 54.880 54.880 54.502 0.379 18375 3488 1 6 . 1 1 85 85 GLU CB C 85 33.540 33.540 33.179 0.361 18375 3489 1 6 . 1 1 85 85 GLU H H 85 8.800 8.800 8.563 0.237 18375 3490 1 6 . 1 1 86 86 MET N N 86 118.950 118.950 120.090 -1.140 18375 3491 1 6 . 1 1 86 86 MET HA H 86 5.250 5.250 4.904 0.346 18375 3492 1 6 . 1 1 86 86 MET C C 86 175.010 175.010 176.268 -1.258 18375 3493 1 6 . 1 1 86 86 MET CA C 86 53.880 53.880 53.966 -0.086 18375 3494 1 6 . 1 1 86 86 MET CB C 86 38.240 38.240 35.232 3.008 18375 3495 1 6 . 1 1 86 86 MET H H 86 8.490 8.490 8.373 0.117 18375 3496 1 6 . 1 1 87 87 ASN N N 87 116.670 116.670 126.451 -9.781 18375 3497 1 6 . 1 1 87 87 ASN HA H 87 4.190 4.190 4.389 -0.199 18375 3498 1 6 . 1 1 87 87 ASN C C 87 174.810 174.810 175.841 -1.031 18375 3499 1 6 . 1 1 87 87 ASN CA C 87 54.520 54.520 56.607 -2.087 18375 3500 1 6 . 1 1 87 87 ASN CB C 87 39.330 39.330 37.588 1.742 18375 3501 1 6 . 1 1 87 87 ASN H H 87 8.250 8.250 8.883 -0.633 18375 3502 1 6 . 1 1 88 88 TYR N N 88 119.600 119.600 117.465 2.135 18375 3503 1 6 . 1 1 88 88 TYR HA H 88 4.290 4.290 4.125 0.165 18375 3504 1 6 . 1 1 88 88 TYR C C 88 175.620 175.620 174.927 0.693 18375 3505 1 6 . 1 1 88 88 TYR CA C 88 60.720 60.720 61.379 -0.659 18375 3506 1 6 . 1 1 88 88 TYR CB C 88 41.430 41.430 37.365 4.064 18375 3507 1 6 . 1 1 88 88 TYR H H 88 8.940 8.940 8.933 0.007 18375 3508 1 6 . 1 1 89 89 SER N N 89 113.120 113.120 114.245 -1.125 18375 3509 1 6 . 1 1 89 89 SER HA H 89 4.320 4.320 4.439 -0.119 18375 3510 1 6 . 1 1 89 89 SER C C 89 174.860 174.860 174.045 0.815 18375 3511 1 6 . 1 1 89 89 SER CA C 89 58.690 58.690 57.740 0.950 18375 3512 1 6 . 1 1 89 89 SER CB C 89 65.140 65.140 64.466 0.674 18375 3513 1 6 . 1 1 89 89 SER H H 89 8.060 8.060 7.961 0.099 18375 3514 1 6 . 1 1 90 90 GLY N N 90 110.450 110.450 110.800 -0.350 18375 3515 1 6 . 1 1 90 90 GLY C C 90 174.680 174.680 173.783 0.897 18375 3516 1 6 . 1 1 90 90 GLY CA C 90 45.950 45.950 45.061 0.889 18375 3517 1 6 . 1 1 90 90 GLY H H 90 8.180 8.180 7.954 0.226 18375 3518 1 6 . 1 1 91 91 GLY N N 91 108.710 108.710 110.388 -1.678 18375 3519 1 6 . 1 1 91 91 GLY CA C 91 45.880 45.880 42.863 3.017 18375 3520 1 6 . 1 1 91 91 GLY H H 91 8.330 8.330 8.294 0.036 18375 3521 1 6 . 1 1 92 92 PRO HA H 92 4.040 4.040 4.214 -0.174 18375 3522 1 6 . 1 1 92 92 PRO C C 92 177.930 177.930 176.418 1.512 18375 3523 1 6 . 1 1 92 92 PRO CA C 92 64.710 64.710 63.323 1.387 18375 3524 1 6 . 1 1 92 92 PRO CB C 92 32.690 32.690 31.811 0.879 18375 3525 1 6 . 1 1 93 93 PHE N N 93 113.220 113.220 119.111 -5.891 18375 3526 1 6 . 1 1 93 93 PHE HA H 93 4.480 4.480 4.134 0.346 18375 3527 1 6 . 1 1 93 93 PHE C C 93 174.490 174.490 175.903 -1.413 18375 3528 1 6 . 1 1 93 93 PHE CA C 93 62.890 62.890 59.242 3.647 18375 3529 1 6 . 1 1 93 93 PHE CB C 93 37.410 37.410 36.677 0.733 18375 3530 1 6 . 1 1 93 93 PHE H H 93 8.350 8.350 8.493 -0.143 18375 3531 1 6 . 1 1 94 94 SER N N 94 115.680 115.680 118.200 -2.520 18375 3532 1 6 . 1 1 94 94 SER HA H 94 4.620 4.620 4.518 0.102 18375 3533 1 6 . 1 1 94 94 SER C C 94 174.290 174.290 174.272 0.018 18375 3534 1 6 . 1 1 94 94 SER CA C 94 59.150 59.150 58.657 0.493 18375 3535 1 6 . 1 1 94 94 SER CB C 94 64.690 64.690 62.961 1.729 18375 3536 1 6 . 1 1 94 94 SER H H 94 7.980 7.980 7.860 0.120 18375 3537 1 6 . 1 1 95 95 VAL N N 95 112.520 112.520 129.102 -16.582 18375 3538 1 6 . 1 1 95 95 VAL HA H 95 4.830 4.830 4.003 0.827 18375 3539 1 6 . 1 1 95 95 VAL C C 95 175.770 175.770 176.046 -0.276 18375 3540 1 6 . 1 1 95 95 VAL CA C 95 62.520 62.520 62.667 -0.147 18375 3541 1 6 . 1 1 95 95 VAL CB C 95 34.010 34.010 30.085 3.925 18375 3542 1 6 . 1 1 95 95 VAL H H 95 8.840 8.840 7.886 0.954 18375 3543 1 6 . 1 1 96 96 SER N N 96 122.260 122.260 125.479 -3.219 18375 3544 1 6 . 1 1 96 96 SER HA H 96 4.810 4.810 4.554 0.256 18375 3545 1 6 . 1 1 96 96 SER C C 96 172.250 172.250 173.145 -0.895 18375 3546 1 6 . 1 1 96 96 SER CA C 96 58.080 58.080 57.980 0.100 18375 3547 1 6 . 1 1 96 96 SER CB C 96 66.590 66.590 63.031 3.559 18375 3548 1 6 . 1 1 96 96 SER H H 96 9.190 9.190 8.804 0.386 18375 3549 1 6 . 1 1 97 97 SER N N 97 112.810 112.810 122.178 -9.368 18375 3550 1 6 . 1 1 97 97 SER HA H 97 5.620 5.620 5.153 0.467 18375 3551 1 6 . 1 1 97 97 SER C C 97 174.130 174.130 174.110 0.020 18375 3552 1 6 . 1 1 97 97 SER CA C 97 57.260 57.260 57.702 -0.442 18375 3553 1 6 . 1 1 97 97 SER CB C 97 66.740 66.740 64.113 2.627 18375 3554 1 6 . 1 1 97 97 SER H H 97 8.290 8.290 8.485 -0.195 18375 3555 1 6 . 1 1 98 98 ARG N N 98 122.640 122.640 127.024 -4.384 18375 3556 1 6 . 1 1 98 98 ARG HA H 98 4.650 4.650 4.690 -0.040 18375 3557 1 6 . 1 1 98 98 ARG C C 98 174.030 174.030 174.401 -0.371 18375 3558 1 6 . 1 1 98 98 ARG CA C 98 56.640 56.640 55.018 1.622 18375 3559 1 6 . 1 1 98 98 ARG CB C 98 36.240 36.240 34.670 1.570 18375 3560 1 6 . 1 1 98 98 ARG H H 98 8.380 8.380 8.970 -0.590 18375 3561 1 6 . 1 1 99 99 THR N N 99 118.220 118.220 119.054 -0.834 18375 3562 1 6 . 1 1 99 99 THR HA H 99 5.280 5.280 5.468 -0.188 18375 3563 1 6 . 1 1 99 99 THR C C 99 173.930 173.930 173.953 -0.023 18375 3564 1 6 . 1 1 99 99 THR CA C 99 62.820 62.820 61.458 1.362 18375 3565 1 6 . 1 1 99 99 THR CB C 99 71.360 71.360 70.119 1.241 18375 3566 1 6 . 1 1 99 99 THR H H 99 8.650 8.650 8.330 0.320 18375 3567 1 6 . 1 1 100 100 ILE N N 100 112.130 112.130 128.115 -15.985 18375 3568 1 6 . 1 1 100 100 ILE HA H 100 4.290 4.290 4.300 -0.010 18375 3569 1 6 . 1 1 100 100 ILE C C 100 175.190 175.190 175.480 -0.290 18375 3570 1 6 . 1 1 100 100 ILE CA C 100 60.340 60.340 58.624 1.716 18375 3571 1 6 . 1 1 100 100 ILE CB C 100 40.390 40.390 37.427 2.963 18375 3572 1 6 . 1 1 100 100 ILE H H 100 9.560 9.560 9.070 0.490 18375 3573 1 6 . 1 1 101 101 SER N N 101 121.940 121.940 123.306 -1.366 18375 3574 1 6 . 1 1 101 101 SER HA H 101 4.120 4.120 4.343 -0.223 18375 3575 1 6 . 1 1 101 101 SER C C 101 174.230 174.230 175.611 -1.381 18375 3576 1 6 . 1 1 101 101 SER CA C 101 59.450 59.450 57.874 1.576 18375 3577 1 6 . 1 1 101 101 SER CB C 101 65.410 65.410 64.243 1.167 18375 3578 1 6 . 1 1 101 101 SER H H 101 8.860 8.860 8.873 -0.013 18375 3579 1 6 . 1 1 102 102 ALA N N 102 123.870 123.870 130.811 -6.941 18375 3580 1 6 . 1 1 102 102 ALA HA H 102 3.910 3.910 3.971 -0.061 18375 3581 1 6 . 1 1 102 102 ALA C C 102 170.440 170.440 179.513 -9.073 18375 3582 1 6 . 1 1 102 102 ALA CA C 102 56.360 56.360 55.064 1.296 18375 3583 1 6 . 1 1 102 102 ALA CB C 102 19.430 19.430 18.645 0.785 18375 3584 1 6 . 1 1 102 102 ALA H H 102 8.860 8.860 9.006 -0.146 18375 3585 1 6 . 1 1 103 103 SER N N 103 109.980 109.980 114.053 -4.073 18375 3586 1 6 . 1 1 103 103 SER HA H 103 4.200 4.200 4.074 0.126 18375 3587 1 6 . 1 1 103 103 SER C C 103 176.050 176.050 176.201 -0.151 18375 3588 1 6 . 1 1 103 103 SER CA C 103 61.680 61.680 61.131 0.549 18375 3589 1 6 . 1 1 103 103 SER CB C 103 63.640 63.640 63.013 0.627 18375 3590 1 6 . 1 1 103 103 SER H H 103 8.180 8.180 7.822 0.358 18375 3591 1 6 . 1 1 104 104 GLU N N 104 121.250 121.250 120.184 1.066 18375 3592 1 6 . 1 1 104 104 GLU HA H 104 4.260 4.260 3.948 0.312 18375 3593 1 6 . 1 1 104 104 GLU C C 104 178.240 178.240 177.699 0.541 18375 3594 1 6 . 1 1 104 104 GLU CA C 104 57.960 57.960 58.115 -0.155 18375 3595 1 6 . 1 1 104 104 GLU CB C 104 32.210 32.210 29.401 2.809 18375 3596 1 6 . 1 1 104 104 GLU H H 104 7.560 7.560 7.577 -0.017 18375 3597 1 6 . 1 1 105 105 ALA N N 105 121.520 121.520 121.939 -0.419 18375 3598 1 6 . 1 1 105 105 ALA HA H 105 4.060 4.060 4.234 -0.174 18375 3599 1 6 . 1 1 105 105 ALA C C 105 170.230 170.230 179.809 -9.579 18375 3600 1 6 . 1 1 105 105 ALA CA C 105 57.080 57.080 54.740 2.340 18375 3601 1 6 . 1 1 105 105 ALA CB C 105 19.320 19.320 18.306 1.014 18375 3602 1 6 . 1 1 105 105 ALA H H 105 8.280 8.280 8.331 -0.051 18375 3603 1 6 . 1 1 106 106 GLY N N 106 121.950 121.950 104.474 17.476 18375 3604 1 6 . 1 1 106 106 GLY C C 106 174.110 174.110 174.821 -0.711 18375 3605 1 6 . 1 1 106 106 GLY CA C 106 46.780 46.780 45.869 0.911 18375 3606 1 6 . 1 1 106 106 GLY H H 106 8.360 8.360 8.026 0.334 18375 3607 1 6 . 1 1 107 107 ASN N N 107 117.130 117.130 119.089 -1.959 18375 3608 1 6 . 1 1 107 107 ASN HA H 107 4.480 4.480 4.513 -0.033 18375 3609 1 6 . 1 1 107 107 ASN C C 107 175.110 175.110 175.536 -0.426 18375 3610 1 6 . 1 1 107 107 ASN CA C 107 54.220 54.220 53.381 0.839 18375 3611 1 6 . 1 1 107 107 ASN CB C 107 38.890 38.890 39.591 -0.701 18375 3612 1 6 . 1 1 107 107 ASN H H 107 7.830 7.830 7.523 0.307 18375 3613 1 6 . 1 1 108 108 TYR N N 108 117.300 117.300 119.724 -2.424 18375 3614 1 6 . 1 1 108 108 TYR HA H 108 4.620 4.620 4.458 0.162 18375 3615 1 6 . 1 1 108 108 TYR C C 108 174.810 174.810 176.031 -1.221 18375 3616 1 6 . 1 1 108 108 TYR CA C 108 58.700 58.700 59.706 -1.006 18375 3617 1 6 . 1 1 108 108 TYR CB C 108 41.260 41.260 37.761 3.499 18375 3618 1 6 . 1 1 108 108 TYR H H 108 7.020 7.020 7.689 -0.669 18375 3619 1 6 . 1 1 109 109 ASN N N 109 117.260 117.260 119.796 -2.536 18375 3620 1 6 . 1 1 109 109 ASN HA H 109 5.020 5.020 5.152 -0.132 18375 3621 1 6 . 1 1 109 109 ASN C C 109 173.590 173.590 174.230 -0.640 18375 3622 1 6 . 1 1 109 109 ASN CA C 109 53.140 53.140 54.353 -1.213 18375 3623 1 6 . 1 1 109 109 ASN CB C 109 41.590 41.590 40.279 1.311 18375 3624 1 6 . 1 1 109 109 ASN H H 109 7.910 7.910 8.661 -0.751 18375 3625 1 6 . 1 1 110 110 TYR N N 110 117.410 117.410 115.656 1.754 18375 3626 1 6 . 1 1 110 110 TYR HA H 110 5.300 5.300 5.281 0.019 18375 3627 1 6 . 1 1 110 110 TYR C C 110 174.450 174.450 173.805 0.645 18375 3628 1 6 . 1 1 110 110 TYR CA C 110 57.740 57.740 55.675 2.065 18375 3629 1 6 . 1 1 110 110 TYR CB C 110 41.580 41.580 41.281 0.300 18375 3630 1 6 . 1 1 110 110 TYR H H 110 9.340 9.340 8.547 0.793 18375 3631 1 6 . 1 1 111 111 ILE N N 111 123.080 123.080 117.575 5.505 18375 3632 1 6 . 1 1 111 111 ILE HA H 111 4.360 4.360 4.461 -0.101 18375 3633 1 6 . 1 1 111 111 ILE C C 111 175.250 175.250 174.303 0.947 18375 3634 1 6 . 1 1 111 111 ILE CA C 111 61.530 61.530 59.699 1.831 18375 3635 1 6 . 1 1 111 111 ILE CB C 111 40.560 40.560 39.944 0.616 18375 3636 1 6 . 1 1 111 111 ILE H H 111 9.320 9.320 8.556 0.764 18375 3637 1 6 . 1 1 112 112 HIS N N 112 109.020 109.020 125.434 -16.414 18375 3638 1 6 . 1 1 112 112 HIS HA H 112 4.560 4.560 4.632 -0.072 18375 3639 1 6 . 1 1 112 112 HIS C C 112 173.980 173.980 175.635 -1.655 18375 3640 1 6 . 1 1 112 112 HIS CA C 112 57.550 57.550 55.328 2.222 18375 3641 1 6 . 1 1 112 112 HIS CB C 112 31.350 31.350 32.687 -1.337 18375 3642 1 6 . 1 1 112 112 HIS H H 112 8.710 8.710 8.610 0.100 18375 3643 1 7 . 1 1 3 3 SER HA H 3 4.510 4.510 4.491 0.019 18375 3644 1 7 . 1 1 3 3 SER C C 3 174.460 174.460 174.238 0.222 18375 3645 1 7 . 1 1 3 3 SER CA C 3 59.400 59.400 58.957 0.443 18375 3646 1 7 . 1 1 3 3 SER CB C 3 64.820 64.820 62.655 2.165 18375 3647 1 7 . 1 1 4 4 ILE N N 4 121.890 121.890 121.066 0.824 18375 3648 1 7 . 1 1 4 4 ILE HA H 4 4.210 4.210 4.171 0.039 18375 3649 1 7 . 1 1 4 4 ILE C C 4 176.040 176.040 175.726 0.314 18375 3650 1 7 . 1 1 4 4 ILE CA C 4 62.180 62.180 60.716 1.464 18375 3651 1 7 . 1 1 4 4 ILE CB C 4 39.930 39.930 38.368 1.562 18375 3652 1 7 . 1 1 4 4 ILE H H 4 8.180 8.180 8.210 -0.030 18375 3653 1 7 . 1 1 5 5 SER N N 5 119.230 119.230 115.731 3.499 18375 3654 1 7 . 1 1 5 5 SER C C 5 174.290 174.290 174.555 -0.265 18375 3655 1 7 . 1 1 5 5 SER CA C 5 59.140 59.140 57.684 1.456 18375 3656 1 7 . 1 1 5 5 SER CB C 5 64.930 64.930 63.956 0.974 18375 3657 1 7 . 1 1 5 5 SER H H 5 8.270 8.270 7.777 0.493 18375 3658 1 7 . 1 1 6 6 HIS HA H 6 4.650 4.650 4.391 0.259 18375 3659 1 7 . 1 1 6 6 HIS CA C 6 57.240 57.240 57.614 -0.374 18375 3660 1 7 . 1 1 6 6 HIS CB C 6 31.150 31.150 30.045 1.105 18375 3661 1 7 . 1 1 7 7 SER N N 7 117.260 117.260 111.658 5.602 18375 3662 1 7 . 1 1 7 7 SER HA H 7 4.430 4.430 4.250 0.180 18375 3663 1 7 . 1 1 7 7 SER C C 7 174.890 174.890 175.398 -0.508 18375 3664 1 7 . 1 1 7 7 SER CA C 7 59.750 59.750 58.844 0.906 18375 3665 1 7 . 1 1 7 7 SER CB C 7 64.890 64.890 61.637 3.253 18375 3666 1 7 . 1 1 7 7 SER H H 7 8.360 8.360 8.164 0.196 18375 3667 1 7 . 1 1 8 8 GLY N N 8 110.140 110.140 110.578 -0.438 18375 3668 1 7 . 1 1 8 8 GLY C C 8 173.340 173.340 173.394 -0.054 18375 3669 1 7 . 1 1 8 8 GLY CA C 8 45.920 45.920 45.468 0.452 18375 3670 1 7 . 1 1 8 8 GLY H H 8 8.500 8.500 8.735 -0.235 18375 3671 1 7 . 1 1 9 9 ASN N N 9 118.840 118.840 118.598 0.242 18375 3672 1 7 . 1 1 9 9 ASN HA H 9 3.430 3.430 4.893 -1.463 18375 3673 1 7 . 1 1 9 9 ASN C C 9 175.460 175.460 176.227 -0.767 18375 3674 1 7 . 1 1 9 9 ASN CA C 9 53.400 53.400 51.683 1.717 18375 3675 1 7 . 1 1 9 9 ASN CB C 9 38.780 38.780 40.130 -1.349 18375 3676 1 7 . 1 1 9 9 ASN H H 9 8.280 8.280 8.023 0.257 18375 3677 1 7 . 1 1 10 10 LEU N N 10 125.560 125.560 121.457 4.103 18375 3678 1 7 . 1 1 10 10 LEU HA H 10 4.250 4.250 4.301 -0.051 18375 3679 1 7 . 1 1 10 10 LEU C C 10 177.320 177.320 177.116 0.204 18375 3680 1 7 . 1 1 10 10 LEU CA C 10 55.080 55.080 55.888 -0.808 18375 3681 1 7 . 1 1 10 10 LEU CB C 10 42.110 42.110 42.202 -0.092 18375 3682 1 7 . 1 1 10 10 LEU H H 10 6.850 6.850 8.322 -1.472 18375 3683 1 7 . 1 1 11 11 TYR N N 11 120.920 120.920 119.221 1.699 18375 3684 1 7 . 1 1 11 11 TYR HA H 11 4.350 4.350 4.458 -0.108 18375 3685 1 7 . 1 1 11 11 TYR C C 11 174.800 174.800 175.602 -0.802 18375 3686 1 7 . 1 1 11 11 TYR CA C 11 60.200 60.200 58.435 1.765 18375 3687 1 7 . 1 1 11 11 TYR CB C 11 38.520 38.520 40.094 -1.574 18375 3688 1 7 . 1 1 11 11 TYR H H 11 7.680 7.680 7.585 0.095 18375 3689 1 7 . 1 1 12 12 THR N N 12 118.320 118.320 116.163 2.157 18375 3690 1 7 . 1 1 12 12 THR HA H 12 3.680 3.680 4.007 -0.327 18375 3691 1 7 . 1 1 12 12 THR C C 12 173.180 173.180 173.778 -0.598 18375 3692 1 7 . 1 1 12 12 THR CA C 12 65.310 65.310 63.538 1.772 18375 3693 1 7 . 1 1 12 12 THR CB C 12 70.080 70.080 69.162 0.918 18375 3694 1 7 . 1 1 12 12 THR H H 12 8.320 8.320 7.516 0.804 18375 3695 1 7 . 1 1 13 13 ALA N N 13 111.540 111.540 126.983 -15.443 18375 3696 1 7 . 1 1 13 13 ALA HA H 13 3.690 3.690 2.689 1.001 18375 3697 1 7 . 1 1 13 13 ALA CA C 13 53.700 53.700 52.155 1.545 18375 3698 1 7 . 1 1 13 13 ALA H H 13 8.150 8.150 8.021 0.129 18375 3699 1 7 . 1 1 14 14 GLY N N 14 109.410 109.410 108.640 0.770 18375 3700 1 7 . 1 1 14 14 GLY C C 14 173.310 173.310 174.327 -1.017 18375 3701 1 7 . 1 1 14 14 GLY CA C 14 44.150 44.150 44.926 -0.776 18375 3702 1 7 . 1 1 14 14 GLY H H 14 4.990 4.990 6.797 -1.807 18375 3703 1 7 . 1 1 15 15 GLN N N 15 115.720 115.720 117.504 -1.784 18375 3704 1 7 . 1 1 15 15 GLN HA H 15 4.410 4.410 4.713 -0.303 18375 3705 1 7 . 1 1 15 15 GLN C C 15 176.310 176.310 176.641 -0.331 18375 3706 1 7 . 1 1 15 15 GLN CA C 15 55.570 55.570 54.450 1.120 18375 3707 1 7 . 1 1 15 15 GLN CB C 15 31.180 31.180 31.844 -0.664 18375 3708 1 7 . 1 1 15 15 GLN H H 15 7.170 7.170 7.392 -0.222 18375 3709 1 7 . 1 1 16 16 CYS N N 16 118.020 118.020 119.687 -1.667 18375 3710 1 7 . 1 1 16 16 CYS HA H 16 4.590 4.590 4.535 0.055 18375 3711 1 7 . 1 1 16 16 CYS C C 16 176.730 176.730 177.175 -0.445 18375 3712 1 7 . 1 1 16 16 CYS CA C 16 61.050 61.050 62.298 -1.248 18375 3713 1 7 . 1 1 16 16 CYS CB C 16 28.600 28.600 27.600 1.000 18375 3714 1 7 . 1 1 16 16 CYS H H 16 9.300 9.300 9.408 -0.108 18375 3715 1 7 . 1 1 17 17 THR N N 17 113.910 113.910 113.529 0.381 18375 3716 1 7 . 1 1 17 17 THR HA H 17 3.180 3.180 4.348 -1.168 18375 3717 1 7 . 1 1 17 17 THR C C 17 174.260 174.260 176.925 -2.665 18375 3718 1 7 . 1 1 17 17 THR CA C 17 62.800 62.800 65.922 -3.122 18375 3719 1 7 . 1 1 17 17 THR CB C 17 69.000 69.000 68.454 0.546 18375 3720 1 7 . 1 1 17 17 THR H H 17 7.300 7.300 8.630 -1.330 18375 3721 1 7 . 1 1 18 18 TRP N N 18 123.650 123.650 124.909 -1.259 18375 3722 1 7 . 1 1 18 18 TRP HA H 18 4.380 4.380 4.641 -0.261 18375 3723 1 7 . 1 1 18 18 TRP C C 18 177.910 177.910 177.818 0.092 18375 3724 1 7 . 1 1 18 18 TRP CA C 18 61.600 61.600 61.471 0.129 18375 3725 1 7 . 1 1 18 18 TRP CB C 18 31.320 31.320 29.429 1.891 18375 3726 1 7 . 1 1 18 18 TRP H H 18 6.640 6.640 7.847 -1.207 18375 3727 1 7 . 1 1 19 19 TYR N N 19 115.660 115.660 120.008 -4.348 18375 3728 1 7 . 1 1 19 19 TYR HA H 19 4.120 4.120 4.202 -0.082 18375 3729 1 7 . 1 1 19 19 TYR C C 19 177.170 177.170 177.542 -0.372 18375 3730 1 7 . 1 1 19 19 TYR CA C 19 61.370 61.370 62.132 -0.762 18375 3731 1 7 . 1 1 19 19 TYR CB C 19 42.110 42.110 38.545 3.565 18375 3732 1 7 . 1 1 19 19 TYR H H 19 7.680 7.680 9.195 -1.515 18375 3733 1 7 . 1 1 20 20 VAL N N 20 116.740 116.740 119.544 -2.804 18375 3734 1 7 . 1 1 20 20 VAL HA H 20 3.030 3.030 3.633 -0.603 18375 3735 1 7 . 1 1 20 20 VAL C C 20 176.410 176.410 177.894 -1.484 18375 3736 1 7 . 1 1 20 20 VAL CA C 20 68.360 68.360 67.702 0.658 18375 3737 1 7 . 1 1 20 20 VAL CB C 20 32.210 32.210 31.751 0.459 18375 3738 1 7 . 1 1 20 20 VAL H H 20 7.450 7.450 8.028 -0.578 18375 3739 1 7 . 1 1 21 21 TYR N N 21 118.550 118.550 121.116 -2.566 18375 3740 1 7 . 1 1 21 21 TYR HA H 21 3.560 3.560 4.211 -0.651 18375 3741 1 7 . 1 1 21 21 TYR C C 21 176.490 176.490 177.171 -0.681 18375 3742 1 7 . 1 1 21 21 TYR CA C 21 63.990 63.990 61.460 2.530 18375 3743 1 7 . 1 1 21 21 TYR CB C 21 38.970 38.970 38.404 0.566 18375 3744 1 7 . 1 1 21 21 TYR H H 21 8.370 8.370 7.966 0.404 18375 3745 1 7 . 1 1 22 22 ASP N N 22 115.760 115.760 118.318 -2.558 18375 3746 1 7 . 1 1 22 22 ASP HA H 22 4.260 4.260 4.032 0.228 18375 3747 1 7 . 1 1 22 22 ASP C C 22 169.690 169.690 179.086 -9.396 18375 3748 1 7 . 1 1 22 22 ASP CA C 22 58.010 58.010 57.229 0.781 18375 3749 1 7 . 1 1 22 22 ASP CB C 22 41.770 41.770 40.465 1.305 18375 3750 1 7 . 1 1 22 22 ASP H H 22 6.880 6.880 8.037 -1.157 18375 3751 1 7 . 1 1 23 23 LYS N N 23 121.790 121.790 118.397 3.393 18375 3752 1 7 . 1 1 23 23 LYS HA H 23 3.610 3.610 3.772 -0.162 18375 3753 1 7 . 1 1 23 23 LYS C C 23 178.360 178.360 178.151 0.209 18375 3754 1 7 . 1 1 23 23 LYS CA C 23 57.990 57.990 57.981 0.009 18375 3755 1 7 . 1 1 23 23 LYS CB C 23 31.350 31.350 31.674 -0.324 18375 3756 1 7 . 1 1 23 23 LYS H H 23 7.820 7.820 7.958 -0.138 18375 3757 1 7 . 1 1 24 24 VAL N N 24 108.790 108.790 110.325 -1.535 18375 3758 1 7 . 1 1 24 24 VAL HA H 24 4.390 4.390 4.209 0.181 18375 3759 1 7 . 1 1 24 24 VAL C C 24 176.840 176.840 176.370 0.470 18375 3760 1 7 . 1 1 24 24 VAL CA C 24 61.430 61.430 61.583 -0.153 18375 3761 1 7 . 1 1 24 24 VAL CB C 24 31.690 31.690 31.098 0.592 18375 3762 1 7 . 1 1 24 24 VAL H H 24 7.590 7.590 7.453 0.137 18375 3763 1 7 . 1 1 25 25 GLY N N 25 110.620 110.620 108.901 1.719 18375 3764 1 7 . 1 1 25 25 GLY C C 25 175.510 175.510 174.991 0.519 18375 3765 1 7 . 1 1 25 25 GLY CA C 25 47.110 47.110 45.314 1.796 18375 3766 1 7 . 1 1 25 25 GLY H H 25 7.680 7.680 7.479 0.201 18375 3767 1 7 . 1 1 26 26 GLY N N 26 122.410 122.410 107.703 14.707 18375 3768 1 7 . 1 1 26 26 GLY C C 26 174.470 174.470 173.770 0.700 18375 3769 1 7 . 1 1 26 26 GLY CA C 26 46.440 46.440 44.876 1.564 18375 3770 1 7 . 1 1 26 26 GLY H H 26 7.870 7.870 7.827 0.043 18375 3771 1 7 . 1 1 27 27 GLU N N 27 116.720 116.720 118.182 -1.462 18375 3772 1 7 . 1 1 27 27 GLU HA H 27 4.150 4.150 4.088 0.062 18375 3773 1 7 . 1 1 27 27 GLU C C 27 175.810 175.810 175.995 -0.185 18375 3774 1 7 . 1 1 27 27 GLU CA C 27 58.110 58.110 58.081 0.029 18375 3775 1 7 . 1 1 27 27 GLU CB C 27 30.500 30.500 30.437 0.063 18375 3776 1 7 . 1 1 27 27 GLU H H 27 6.650 6.650 7.593 -0.943 18375 3777 1 7 . 1 1 28 28 ILE N N 28 125.210 125.210 115.690 9.520 18375 3778 1 7 . 1 1 28 28 ILE HA H 28 4.040 4.040 4.379 -0.339 18375 3779 1 7 . 1 1 28 28 ILE CA C 28 60.160 60.160 60.104 0.056 18375 3780 1 7 . 1 1 28 28 ILE CB C 28 40.940 40.940 39.375 1.565 18375 3781 1 7 . 1 1 28 28 ILE H H 28 6.330 6.330 7.543 -1.213 18375 3782 1 7 . 1 1 29 29 GLY C C 29 174.050 174.050 174.250 -0.200 18375 3783 1 7 . 1 1 29 29 GLY CA C 29 46.190 46.190 44.966 1.224 18375 3784 1 7 . 1 1 30 30 SER N N 30 115.530 115.530 114.891 0.639 18375 3785 1 7 . 1 1 30 30 SER HA H 30 4.140 4.140 3.198 0.942 18375 3786 1 7 . 1 1 30 30 SER C C 30 174.000 174.000 174.825 -0.825 18375 3787 1 7 . 1 1 30 30 SER CA C 30 60.180 60.180 59.938 0.242 18375 3788 1 7 . 1 1 30 30 SER CB C 30 65.150 65.150 61.639 3.511 18375 3789 1 7 . 1 1 30 30 SER H H 30 8.540 8.540 7.524 1.016 18375 3790 1 7 . 1 1 31 31 THR N N 31 124.440 124.440 117.448 6.992 18375 3791 1 7 . 1 1 31 31 THR HA H 31 4.460 4.460 4.378 0.082 18375 3792 1 7 . 1 1 31 31 THR C C 31 175.390 175.390 174.182 1.208 18375 3793 1 7 . 1 1 31 31 THR CA C 31 61.350 61.350 61.190 0.160 18375 3794 1 7 . 1 1 31 31 THR CB C 31 69.190 69.190 68.755 0.435 18375 3795 1 7 . 1 1 31 31 THR H H 31 7.070 7.070 8.077 -1.007 18375 3796 1 7 . 1 1 32 32 TRP N N 32 121.120 121.120 118.765 2.355 18375 3797 1 7 . 1 1 32 32 TRP HA H 32 4.470 4.470 4.490 -0.020 18375 3798 1 7 . 1 1 32 32 TRP C C 32 175.720 175.720 176.154 -0.434 18375 3799 1 7 . 1 1 32 32 TRP CA C 32 57.500 57.500 55.014 2.486 18375 3800 1 7 . 1 1 32 32 TRP CB C 32 28.670 28.670 28.058 0.612 18375 3801 1 7 . 1 1 32 32 TRP H H 32 7.750 7.750 7.232 0.518 18375 3802 1 7 . 1 1 33 33 GLY N N 33 125.330 125.330 109.749 15.581 18375 3803 1 7 . 1 1 33 33 GLY C C 33 175.520 175.520 173.628 1.892 18375 3804 1 7 . 1 1 33 33 GLY CA C 33 46.390 46.390 45.705 0.685 18375 3805 1 7 . 1 1 33 33 GLY H H 33 8.580 8.580 7.721 0.859 18375 3806 1 7 . 1 1 34 34 ASN N N 34 118.870 118.870 121.889 -3.019 18375 3807 1 7 . 1 1 34 34 ASN HA H 34 4.720 4.720 5.429 -0.709 18375 3808 1 7 . 1 1 34 34 ASN C C 34 175.710 175.710 176.578 -0.868 18375 3809 1 7 . 1 1 34 34 ASN CA C 34 54.630 54.630 52.115 2.515 18375 3810 1 7 . 1 1 34 34 ASN CB C 34 40.050 40.050 41.569 -1.519 18375 3811 1 7 . 1 1 34 34 ASN H H 34 8.780 8.780 8.303 0.477 18375 3812 1 7 . 1 1 35 35 ALA N N 35 121.960 121.960 123.490 -1.530 18375 3813 1 7 . 1 1 35 35 ALA HA H 35 2.920 2.920 3.588 -0.668 18375 3814 1 7 . 1 1 35 35 ALA C C 35 169.710 169.710 178.785 -9.075 18375 3815 1 7 . 1 1 35 35 ALA CA C 35 55.950 55.950 54.897 1.053 18375 3816 1 7 . 1 1 35 35 ALA CB C 35 20.460 20.460 18.238 2.222 18375 3817 1 7 . 1 1 35 35 ALA H H 35 8.750 8.750 8.662 0.088 18375 3818 1 7 . 1 1 36 36 ASN N N 36 114.940 114.940 114.415 0.525 18375 3819 1 7 . 1 1 36 36 ASN HA H 36 4.170 4.170 4.598 -0.428 18375 3820 1 7 . 1 1 36 36 ASN C C 36 175.200 175.200 175.505 -0.305 18375 3821 1 7 . 1 1 36 36 ASN CA C 36 55.930 55.930 53.736 2.194 18375 3822 1 7 . 1 1 36 36 ASN CB C 36 36.690 36.690 38.548 -1.858 18375 3823 1 7 . 1 1 36 36 ASN H H 36 8.410 8.410 8.409 0.001 18375 3824 1 7 . 1 1 37 37 ASN N N 37 120.180 120.180 117.448 2.732 18375 3825 1 7 . 1 1 37 37 ASN HA H 37 5.060 5.060 4.969 0.091 18375 3826 1 7 . 1 1 37 37 ASN C C 37 176.530 176.530 175.352 1.178 18375 3827 1 7 . 1 1 37 37 ASN CA C 37 54.250 54.250 52.233 2.017 18375 3828 1 7 . 1 1 37 37 ASN CB C 37 41.720 41.720 39.391 2.329 18375 3829 1 7 . 1 1 37 37 ASN H H 37 8.850 8.850 7.920 0.930 18375 3830 1 7 . 1 1 38 38 TRP N N 38 118.410 118.410 123.139 -4.729 18375 3831 1 7 . 1 1 38 38 TRP HA H 38 4.190 4.190 4.348 -0.158 18375 3832 1 7 . 1 1 38 38 TRP C C 38 177.390 177.390 178.139 -0.749 18375 3833 1 7 . 1 1 38 38 TRP CA C 38 63.450 63.450 62.424 1.026 18375 3834 1 7 . 1 1 38 38 TRP CB C 38 29.680 29.680 28.803 0.877 18375 3835 1 7 . 1 1 38 38 TRP H H 38 8.240 8.240 7.418 0.822 18375 3836 1 7 . 1 1 39 39 ALA N N 39 118.400 118.400 119.911 -1.511 18375 3837 1 7 . 1 1 39 39 ALA HA H 39 3.770 3.770 3.961 -0.191 18375 3838 1 7 . 1 1 39 39 ALA C C 39 178.580 178.580 179.443 -0.863 18375 3839 1 7 . 1 1 39 39 ALA CA C 39 56.760 56.760 55.611 1.149 18375 3840 1 7 . 1 1 39 39 ALA CB C 39 18.020 18.020 17.591 0.429 18375 3841 1 7 . 1 1 39 39 ALA H H 39 7.150 7.150 8.846 -1.696 18375 3842 1 7 . 1 1 40 40 ALA N N 40 121.830 121.830 121.368 0.462 18375 3843 1 7 . 1 1 40 40 ALA HA H 40 3.990 3.990 3.994 -0.004 18375 3844 1 7 . 1 1 40 40 ALA C C 40 171.320 171.320 179.188 -7.868 18375 3845 1 7 . 1 1 40 40 ALA CA C 40 55.610 55.610 54.486 1.124 18375 3846 1 7 . 1 1 40 40 ALA CB C 40 18.840 18.840 18.375 0.465 18375 3847 1 7 . 1 1 40 40 ALA H H 40 8.060 8.060 7.943 0.117 18375 3848 1 7 . 1 1 41 41 ALA N N 41 122.200 122.200 120.668 1.532 18375 3849 1 7 . 1 1 41 41 ALA HA H 41 3.630 3.630 3.936 -0.306 18375 3850 1 7 . 1 1 41 41 ALA C C 41 170.110 170.110 179.234 -9.124 18375 3851 1 7 . 1 1 41 41 ALA CA C 41 55.240 55.240 54.731 0.509 18375 3852 1 7 . 1 1 41 41 ALA CB C 41 18.020 18.020 18.601 -0.581 18375 3853 1 7 . 1 1 41 41 ALA H H 41 8.250 8.250 8.270 -0.020 18375 3854 1 7 . 1 1 42 42 ALA N N 42 119.600 119.600 121.143 -1.543 18375 3855 1 7 . 1 1 42 42 ALA HA H 42 3.270 3.270 3.401 -0.131 18375 3856 1 7 . 1 1 42 42 ALA C C 42 170.160 170.160 179.697 -9.537 18375 3857 1 7 . 1 1 42 42 ALA CA C 42 55.480 55.480 54.819 0.661 18375 3858 1 7 . 1 1 42 42 ALA CB C 42 19.890 19.890 18.133 1.757 18375 3859 1 7 . 1 1 42 42 ALA H H 42 7.710 7.710 8.738 -1.028 18375 3860 1 7 . 1 1 43 43 GLN N N 43 118.750 118.750 118.269 0.481 18375 3861 1 7 . 1 1 43 43 GLN HA H 43 4.340 4.340 3.987 0.353 18375 3862 1 7 . 1 1 43 43 GLN C C 43 170.980 170.980 179.008 -8.028 18375 3863 1 7 . 1 1 43 43 GLN CA C 43 60.200 60.200 57.989 2.211 18375 3864 1 7 . 1 1 43 43 GLN CB C 43 29.710 29.710 28.926 0.784 18375 3865 1 7 . 1 1 43 43 GLN H H 43 7.880 7.880 7.889 -0.009 18375 3866 1 7 . 1 1 44 44 GLY N N 44 125.760 125.760 107.028 18.732 18375 3867 1 7 . 1 1 44 44 GLY C C 44 174.300 174.300 174.779 -0.479 18375 3868 1 7 . 1 1 44 44 GLY CA C 44 47.660 47.660 46.342 1.318 18375 3869 1 7 . 1 1 44 44 GLY H H 44 8.010 8.010 8.075 -0.065 18375 3870 1 7 . 1 1 45 45 ALA N N 45 121.480 121.480 122.528 -1.048 18375 3871 1 7 . 1 1 45 45 ALA HA H 45 4.620 4.620 4.236 0.384 18375 3872 1 7 . 1 1 45 45 ALA C C 45 177.190 177.190 177.530 -0.340 18375 3873 1 7 . 1 1 45 45 ALA CA C 45 52.680 52.680 52.210 0.470 18375 3874 1 7 . 1 1 45 45 ALA CB C 45 20.560 20.560 19.659 0.901 18375 3875 1 7 . 1 1 45 45 ALA H H 45 7.540 7.540 7.440 0.100 18375 3876 1 7 . 1 1 46 46 GLY N N 46 123.690 123.690 105.521 18.169 18375 3877 1 7 . 1 1 46 46 GLY C C 46 174.980 174.980 173.948 1.032 18375 3878 1 7 . 1 1 46 46 GLY CA C 46 46.540 46.540 44.571 1.969 18375 3879 1 7 . 1 1 46 46 GLY H H 46 7.680 7.680 7.632 0.048 18375 3880 1 7 . 1 1 47 47 PHE N N 47 119.960 119.960 120.002 -0.042 18375 3881 1 7 . 1 1 47 47 PHE HA H 47 4.620 4.620 4.511 0.109 18375 3882 1 7 . 1 1 47 47 PHE C C 47 176.120 176.120 175.858 0.262 18375 3883 1 7 . 1 1 47 47 PHE CA C 47 59.000 59.000 55.098 3.902 18375 3884 1 7 . 1 1 47 47 PHE CB C 47 40.350 40.350 39.347 1.003 18375 3885 1 7 . 1 1 47 47 PHE H H 47 8.280 8.280 7.866 0.414 18375 3886 1 7 . 1 1 48 48 THR N N 48 120.680 120.680 119.054 1.626 18375 3887 1 7 . 1 1 48 48 THR HA H 48 4.190 4.190 4.385 -0.195 18375 3888 1 7 . 1 1 48 48 THR C C 48 173.000 173.000 172.551 0.449 18375 3889 1 7 . 1 1 48 48 THR CA C 48 65.150 65.150 62.359 2.791 18375 3890 1 7 . 1 1 48 48 THR CB C 48 70.530 70.530 68.720 1.810 18375 3891 1 7 . 1 1 48 48 THR H H 48 9.260 9.260 8.863 0.397 18375 3892 1 7 . 1 1 49 49 VAL N N 49 111.320 111.320 127.058 -15.738 18375 3893 1 7 . 1 1 49 49 VAL HA H 49 5.380 5.380 4.730 0.650 18375 3894 1 7 . 1 1 49 49 VAL C C 49 175.570 175.570 173.673 1.897 18375 3895 1 7 . 1 1 49 49 VAL CA C 49 61.510 61.510 60.260 1.250 18375 3896 1 7 . 1 1 49 49 VAL CB C 49 34.960 34.960 35.204 -0.244 18375 3897 1 7 . 1 1 49 49 VAL H H 49 8.560 8.560 8.352 0.208 18375 3898 1 7 . 1 1 50 50 ASN N N 50 125.000 125.000 126.650 -1.650 18375 3899 1 7 . 1 1 50 50 ASN HA H 50 4.800 4.800 5.221 -0.421 18375 3900 1 7 . 1 1 50 50 ASN C C 50 174.270 174.270 173.529 0.741 18375 3901 1 7 . 1 1 50 50 ASN CA C 50 53.430 53.430 52.405 1.025 18375 3902 1 7 . 1 1 50 50 ASN CB C 50 39.100 39.100 40.994 -1.894 18375 3903 1 7 . 1 1 50 50 ASN H H 50 9.010 9.010 8.383 0.627 18375 3904 1 7 . 1 1 51 51 HIS N N 51 114.650 114.650 115.263 -0.613 18375 3905 1 7 . 1 1 51 51 HIS HA H 51 5.760 5.760 5.251 0.509 18375 3906 1 7 . 1 1 51 51 HIS C C 51 174.060 174.060 173.582 0.478 18375 3907 1 7 . 1 1 51 51 HIS CA C 51 56.360 56.360 55.184 1.176 18375 3908 1 7 . 1 1 51 51 HIS CB C 51 29.980 29.980 30.029 -0.049 18375 3909 1 7 . 1 1 51 51 HIS H H 51 8.550 8.550 8.310 0.240 18375 3910 1 7 . 1 1 52 52 THR N N 52 119.910 119.910 118.880 1.030 18375 3911 1 7 . 1 1 52 52 THR HA H 52 4.600 4.600 4.682 -0.082 18375 3912 1 7 . 1 1 52 52 THR CA C 52 60.140 60.140 60.463 -0.323 18375 3913 1 7 . 1 1 52 52 THR CB C 52 71.890 71.890 70.916 0.974 18375 3914 1 7 . 1 1 52 52 THR H H 52 8.500 8.500 8.156 0.344 18375 3915 1 7 . 1 1 53 53 PRO HA H 53 2.920 2.920 4.141 -1.221 18375 3916 1 7 . 1 1 53 53 PRO C C 53 175.410 175.410 175.143 0.267 18375 3917 1 7 . 1 1 53 53 PRO CA C 53 62.460 62.460 62.813 -0.353 18375 3918 1 7 . 1 1 53 53 PRO CB C 53 33.410 33.410 32.164 1.246 18375 3919 1 7 . 1 1 54 54 SER N N 54 108.990 108.990 115.129 -6.139 18375 3920 1 7 . 1 1 54 54 SER HA H 54 4.300 4.300 4.449 -0.149 18375 3921 1 7 . 1 1 54 54 SER C C 54 172.380 172.380 173.150 -0.770 18375 3922 1 7 . 1 1 54 54 SER CA C 54 58.270 58.270 57.247 1.023 18375 3923 1 7 . 1 1 54 54 SER CB C 54 66.620 66.620 65.506 1.114 18375 3924 1 7 . 1 1 54 54 SER H H 54 6.000 6.000 7.824 -1.824 18375 3925 1 7 . 1 1 55 55 LYS N N 55 124.470 124.470 125.787 -1.317 18375 3926 1 7 . 1 1 55 55 LYS HA H 55 3.500 3.500 3.769 -0.269 18375 3927 1 7 . 1 1 55 55 LYS C C 55 177.150 177.150 177.692 -0.542 18375 3928 1 7 . 1 1 55 55 LYS CA C 55 59.850 59.850 57.718 2.131 18375 3929 1 7 . 1 1 55 55 LYS CB C 55 33.010 33.010 31.964 1.046 18375 3930 1 7 . 1 1 55 55 LYS H H 55 8.860 8.860 8.800 0.060 18375 3931 1 7 . 1 1 56 56 GLY N N 56 116.710 116.710 114.327 2.383 18375 3932 1 7 . 1 1 56 56 GLY C C 56 173.430 173.430 173.404 0.026 18375 3933 1 7 . 1 1 56 56 GLY CA C 56 45.600 45.600 44.750 0.850 18375 3934 1 7 . 1 1 56 56 GLY H H 56 8.950 8.950 8.527 0.423 18375 3935 1 7 . 1 1 57 57 ALA N N 57 118.940 118.940 121.827 -2.887 18375 3936 1 7 . 1 1 57 57 ALA HA H 57 4.630 4.630 4.808 -0.178 18375 3937 1 7 . 1 1 57 57 ALA C C 57 174.570 174.570 175.136 -0.566 18375 3938 1 7 . 1 1 57 57 ALA CA C 57 51.840 51.840 50.385 1.455 18375 3939 1 7 . 1 1 57 57 ALA CB C 57 20.960 20.960 22.219 -1.259 18375 3940 1 7 . 1 1 57 57 ALA H H 57 7.420 7.420 7.728 -0.308 18375 3941 1 7 . 1 1 58 58 ILE N N 58 117.340 117.340 117.205 0.135 18375 3942 1 7 . 1 1 58 58 ILE HA H 58 4.720 4.720 4.573 0.147 18375 3943 1 7 . 1 1 58 58 ILE C C 58 176.920 176.920 174.250 2.670 18375 3944 1 7 . 1 1 58 58 ILE CA C 58 60.910 60.910 60.533 0.377 18375 3945 1 7 . 1 1 58 58 ILE CB C 58 41.820 41.820 41.964 -0.144 18375 3946 1 7 . 1 1 58 58 ILE H H 58 8.350 8.350 8.619 -0.269 18375 3947 1 7 . 1 1 59 59 LEU N N 59 112.330 112.330 126.064 -13.734 18375 3948 1 7 . 1 1 59 59 LEU HA H 59 4.220 4.220 4.769 -0.549 18375 3949 1 7 . 1 1 59 59 LEU C C 59 174.530 174.530 175.030 -0.500 18375 3950 1 7 . 1 1 59 59 LEU CA C 59 56.430 56.430 54.335 2.095 18375 3951 1 7 . 1 1 59 59 LEU CB C 59 44.160 44.160 43.834 0.326 18375 3952 1 7 . 1 1 59 59 LEU H H 59 8.430 8.430 8.900 -0.470 18375 3953 1 7 . 1 1 60 60 GLN N N 60 111.170 111.170 126.639 -15.469 18375 3954 1 7 . 1 1 60 60 GLN HA H 60 4.970 4.970 5.295 -0.325 18375 3955 1 7 . 1 1 60 60 GLN C C 60 172.980 172.980 173.905 -0.925 18375 3956 1 7 . 1 1 60 60 GLN CA C 60 56.720 56.720 53.875 2.845 18375 3957 1 7 . 1 1 60 60 GLN CB C 60 30.950 30.950 33.188 -2.238 18375 3958 1 7 . 1 1 60 60 GLN H H 60 9.490 9.490 9.179 0.311 18375 3959 1 7 . 1 1 61 61 SER N N 61 118.550 118.550 120.776 -2.226 18375 3960 1 7 . 1 1 61 61 SER HA H 61 4.940 4.940 4.939 0.001 18375 3961 1 7 . 1 1 61 61 SER C C 61 174.370 174.370 174.551 -0.181 18375 3962 1 7 . 1 1 61 61 SER CA C 61 56.570 56.570 56.316 0.254 18375 3963 1 7 . 1 1 61 61 SER CB C 61 67.130 67.130 65.069 2.061 18375 3964 1 7 . 1 1 61 61 SER H H 61 8.800 8.800 8.726 0.074 18375 3965 1 7 . 1 1 62 62 SER N N 62 120.910 120.910 120.705 0.205 18375 3966 1 7 . 1 1 62 62 SER HA H 62 4.540 4.540 4.387 0.153 18375 3967 1 7 . 1 1 62 62 SER C C 62 173.560 173.560 175.143 -1.583 18375 3968 1 7 . 1 1 62 62 SER CA C 62 59.270 59.270 59.777 -0.507 18375 3969 1 7 . 1 1 62 62 SER CB C 62 64.390 64.390 63.351 1.039 18375 3970 1 7 . 1 1 62 62 SER H H 62 8.900 8.900 8.859 0.041 18375 3971 1 7 . 1 1 63 63 GLU N N 63 121.810 121.810 119.678 2.132 18375 3972 1 7 . 1 1 63 63 GLU HA H 63 4.220 4.220 4.519 -0.299 18375 3973 1 7 . 1 1 63 63 GLU C C 63 176.030 176.030 176.155 -0.125 18375 3974 1 7 . 1 1 63 63 GLU CA C 63 57.840 57.840 55.867 1.973 18375 3975 1 7 . 1 1 63 63 GLU CB C 63 32.170 32.170 30.970 1.200 18375 3976 1 7 . 1 1 63 63 GLU H H 63 8.040 8.040 7.675 0.365 18375 3977 1 7 . 1 1 64 64 GLY N N 64 125.900 125.900 107.780 18.120 18375 3978 1 7 . 1 1 64 64 GLY CA C 64 45.490 45.490 44.401 1.089 18375 3979 1 7 . 1 1 64 64 GLY H H 64 8.200 8.200 8.251 -0.051 18375 3980 1 7 . 1 1 65 65 PRO HA H 65 4.040 4.040 4.411 -0.371 18375 3981 1 7 . 1 1 65 65 PRO C C 65 177.870 177.870 176.187 1.683 18375 3982 1 7 . 1 1 65 65 PRO CA C 65 65.610 65.610 64.839 0.771 18375 3983 1 7 . 1 1 65 65 PRO CB C 65 32.160 32.160 32.142 0.018 18375 3984 1 7 . 1 1 66 66 PHE N N 66 112.970 112.970 113.420 -0.450 18375 3985 1 7 . 1 1 66 66 PHE HA H 66 4.920 4.920 4.816 0.104 18375 3986 1 7 . 1 1 66 66 PHE C C 66 176.190 176.190 174.923 1.267 18375 3987 1 7 . 1 1 66 66 PHE CA C 66 57.420 57.420 55.281 2.139 18375 3988 1 7 . 1 1 66 66 PHE CB C 66 42.360 42.360 39.284 3.076 18375 3989 1 7 . 1 1 66 66 PHE H H 66 8.490 8.490 7.802 0.688 18375 3990 1 7 . 1 1 67 67 GLY N N 67 124.370 124.370 109.070 15.300 18375 3991 1 7 . 1 1 67 67 GLY C C 67 172.480 172.480 172.571 -0.091 18375 3992 1 7 . 1 1 67 67 GLY CA C 67 46.860 46.860 44.407 2.453 18375 3993 1 7 . 1 1 67 67 GLY H H 67 6.940 6.940 7.415 -0.475 18375 3994 1 7 . 1 1 68 68 HIS N N 68 117.820 117.820 120.116 -2.296 18375 3995 1 7 . 1 1 68 68 HIS HA H 68 5.020 5.020 4.827 0.193 18375 3996 1 7 . 1 1 68 68 HIS C C 68 173.790 173.790 173.551 0.239 18375 3997 1 7 . 1 1 68 68 HIS CA C 68 58.230 58.230 54.875 3.355 18375 3998 1 7 . 1 1 68 68 HIS CB C 68 36.120 36.120 32.074 4.046 18375 3999 1 7 . 1 1 68 68 HIS H H 68 8.590 8.590 7.971 0.619 18375 4000 1 7 . 1 1 69 69 VAL N N 69 116.830 116.830 123.170 -6.340 18375 4001 1 7 . 1 1 69 69 VAL HA H 69 5.320 5.320 5.106 0.214 18375 4002 1 7 . 1 1 69 69 VAL C C 69 173.060 173.060 173.572 -0.512 18375 4003 1 7 . 1 1 69 69 VAL CA C 69 58.940 58.940 59.026 -0.086 18375 4004 1 7 . 1 1 69 69 VAL CB C 69 37.700 37.700 32.961 4.739 18375 4005 1 7 . 1 1 69 69 VAL H H 69 6.040 6.040 7.913 -1.873 18375 4006 1 7 . 1 1 70 70 ALA N N 70 120.820 120.820 129.132 -8.312 18375 4007 1 7 . 1 1 70 70 ALA HA H 70 4.510 4.510 4.772 -0.262 18375 4008 1 7 . 1 1 70 70 ALA C C 70 173.870 173.870 175.362 -1.492 18375 4009 1 7 . 1 1 70 70 ALA CA C 70 51.560 51.560 49.934 1.626 18375 4010 1 7 . 1 1 70 70 ALA CB C 70 26.390 26.390 21.928 4.462 18375 4011 1 7 . 1 1 70 70 ALA H H 70 8.890 8.890 8.661 0.229 18375 4012 1 7 . 1 1 71 71 TYR N N 71 121.640 121.640 126.773 -5.133 18375 4013 1 7 . 1 1 71 71 TYR HA H 71 4.890 4.890 4.436 0.454 18375 4014 1 7 . 1 1 71 71 TYR C C 71 174.620 174.620 174.205 0.415 18375 4015 1 7 . 1 1 71 71 TYR CA C 71 58.140 58.140 58.519 -0.379 18375 4016 1 7 . 1 1 71 71 TYR CB C 71 42.850 42.850 39.591 3.259 18375 4017 1 7 . 1 1 71 71 TYR H H 71 9.310 9.310 8.373 0.937 18375 4018 1 7 . 1 1 72 72 VAL N N 72 126.010 126.010 128.730 -2.720 18375 4019 1 7 . 1 1 72 72 VAL HA H 72 3.880 3.880 3.806 0.074 18375 4020 1 7 . 1 1 72 72 VAL C C 72 174.250 174.250 175.640 -1.390 18375 4021 1 7 . 1 1 72 72 VAL CA C 72 64.970 64.970 62.629 2.341 18375 4022 1 7 . 1 1 72 72 VAL CB C 72 31.470 31.470 31.060 0.410 18375 4023 1 7 . 1 1 72 72 VAL H H 72 8.230 8.230 8.553 -0.323 18375 4024 1 7 . 1 1 73 73 GLU N N 73 112.690 112.690 128.197 -15.507 18375 4025 1 7 . 1 1 73 73 GLU HA H 73 4.250 4.250 4.181 0.069 18375 4026 1 7 . 1 1 73 73 GLU C C 73 178.020 178.020 176.689 1.331 18375 4027 1 7 . 1 1 73 73 GLU CA C 73 58.400 58.400 58.510 -0.109 18375 4028 1 7 . 1 1 73 73 GLU CB C 73 31.050 31.050 30.384 0.666 18375 4029 1 7 . 1 1 73 73 GLU H H 73 8.820 8.820 8.399 0.421 18375 4030 1 7 . 1 1 74 74 SER N N 74 125.880 125.880 109.839 16.041 18375 4031 1 7 . 1 1 74 74 SER HA H 74 4.330 4.330 4.434 -0.104 18375 4032 1 7 . 1 1 74 74 SER C C 74 172.030 172.030 171.758 0.272 18375 4033 1 7 . 1 1 74 74 SER CA C 74 59.220 59.220 57.986 1.234 18375 4034 1 7 . 1 1 74 74 SER CB C 74 65.620 65.620 64.735 0.885 18375 4035 1 7 . 1 1 74 74 SER H H 74 7.900 7.900 7.713 0.187 18375 4036 1 7 . 1 1 75 75 VAL N N 75 122.760 122.760 123.089 -0.329 18375 4037 1 7 . 1 1 75 75 VAL HA H 75 4.320 4.320 4.122 0.198 18375 4038 1 7 . 1 1 75 75 VAL C C 75 176.270 176.270 175.705 0.565 18375 4039 1 7 . 1 1 75 75 VAL CA C 75 63.380 63.380 61.164 2.216 18375 4040 1 7 . 1 1 75 75 VAL CB C 75 32.750 32.750 32.127 0.623 18375 4041 1 7 . 1 1 75 75 VAL H H 75 8.400 8.400 8.371 0.029 18375 4042 1 7 . 1 1 76 76 ASN N N 76 125.270 125.270 125.586 -0.316 18375 4043 1 7 . 1 1 76 76 ASN HA H 76 4.790 4.790 4.689 0.101 18375 4044 1 7 . 1 1 76 76 ASN CA C 76 54.260 54.260 53.076 1.184 18375 4045 1 7 . 1 1 76 76 ASN CB C 76 39.960 39.960 39.350 0.610 18375 4046 1 7 . 1 1 76 76 ASN H H 76 9.080 9.080 8.869 0.211 18375 4047 1 7 . 1 1 77 77 SER HA H 77 4.130 4.130 4.252 -0.122 18375 4048 1 7 . 1 1 77 77 SER C C 77 174.410 174.410 174.650 -0.240 18375 4049 1 7 . 1 1 77 77 SER CA C 77 62.670 62.670 60.295 2.375 18375 4050 1 7 . 1 1 77 77 SER CB C 77 63.600 63.600 63.229 0.371 18375 4051 1 7 . 1 1 78 78 ASP N N 78 118.590 118.590 118.676 -0.086 18375 4052 1 7 . 1 1 78 78 ASP HA H 78 4.580 4.580 4.563 0.017 18375 4053 1 7 . 1 1 78 78 ASP C C 78 176.790 176.790 177.052 -0.262 18375 4054 1 7 . 1 1 78 78 ASP CA C 78 53.960 53.960 54.432 -0.472 18375 4055 1 7 . 1 1 78 78 ASP CB C 78 40.880 40.880 40.968 -0.087 18375 4056 1 7 . 1 1 78 78 ASP H H 78 7.980 7.980 8.101 -0.121 18375 4057 1 7 . 1 1 79 79 GLY N N 79 109.220 109.220 107.472 1.748 18375 4058 1 7 . 1 1 79 79 GLY C C 79 173.470 173.470 174.271 -0.801 18375 4059 1 7 . 1 1 79 79 GLY CA C 79 46.050 46.050 44.557 1.493 18375 4060 1 7 . 1 1 79 79 GLY H H 79 8.180 8.180 7.568 0.612 18375 4061 1 7 . 1 1 80 80 SER N N 80 114.200 114.200 119.282 -5.082 18375 4062 1 7 . 1 1 80 80 SER HA H 80 4.350 4.350 4.619 -0.269 18375 4063 1 7 . 1 1 80 80 SER C C 80 172.630 172.630 173.848 -1.218 18375 4064 1 7 . 1 1 80 80 SER CA C 80 59.580 59.580 59.761 -0.181 18375 4065 1 7 . 1 1 80 80 SER CB C 80 65.710 65.710 64.024 1.686 18375 4066 1 7 . 1 1 80 80 SER H H 80 7.930 7.930 8.467 -0.537 18375 4067 1 7 . 1 1 81 81 VAL N N 81 118.060 118.060 124.166 -6.106 18375 4068 1 7 . 1 1 81 81 VAL HA H 81 4.690 4.690 4.248 0.442 18375 4069 1 7 . 1 1 81 81 VAL C C 81 175.220 175.220 175.499 -0.279 18375 4070 1 7 . 1 1 81 81 VAL CA C 81 61.980 61.980 60.984 0.995 18375 4071 1 7 . 1 1 81 81 VAL CB C 81 36.810 36.810 32.861 3.949 18375 4072 1 7 . 1 1 81 81 VAL H H 81 8.820 8.820 9.059 -0.239 18375 4073 1 7 . 1 1 82 82 THR N N 82 125.170 125.170 124.413 0.757 18375 4074 1 7 . 1 1 82 82 THR HA H 82 5.190 5.190 4.502 0.688 18375 4075 1 7 . 1 1 82 82 THR C C 82 174.150 174.150 173.950 0.200 18375 4076 1 7 . 1 1 82 82 THR CA C 82 63.440 63.440 63.194 0.246 18375 4077 1 7 . 1 1 82 82 THR CB C 82 70.520 70.520 68.498 2.022 18375 4078 1 7 . 1 1 82 82 THR H H 82 9.020 9.020 8.845 0.175 18375 4079 1 7 . 1 1 83 83 ILE N N 83 120.970 120.970 123.209 -2.239 18375 4080 1 7 . 1 1 83 83 ILE HA H 83 5.640 5.640 5.140 0.500 18375 4081 1 7 . 1 1 83 83 ILE C C 83 175.030 175.030 174.380 0.650 18375 4082 1 7 . 1 1 83 83 ILE CA C 83 59.440 59.440 58.588 0.852 18375 4083 1 7 . 1 1 83 83 ILE CB C 83 42.170 42.170 41.337 0.833 18375 4084 1 7 . 1 1 83 83 ILE H H 83 9.280 9.280 7.682 1.598 18375 4085 1 7 . 1 1 84 84 SER N N 84 115.430 115.430 116.568 -1.138 18375 4086 1 7 . 1 1 84 84 SER HA H 84 5.590 5.590 4.898 0.692 18375 4087 1 7 . 1 1 84 84 SER C C 84 173.130 173.130 172.900 0.230 18375 4088 1 7 . 1 1 84 84 SER CA C 84 58.050 58.050 57.336 0.714 18375 4089 1 7 . 1 1 84 84 SER CB C 84 67.140 67.140 64.737 2.403 18375 4090 1 7 . 1 1 84 84 SER H H 84 9.600 9.600 8.901 0.699 18375 4091 1 7 . 1 1 85 85 GLU N N 85 117.660 117.660 126.259 -8.599 18375 4092 1 7 . 1 1 85 85 GLU HA H 85 5.180 5.180 4.924 0.256 18375 4093 1 7 . 1 1 85 85 GLU C C 85 171.780 171.780 174.344 -2.564 18375 4094 1 7 . 1 1 85 85 GLU CA C 85 54.880 54.880 54.664 0.216 18375 4095 1 7 . 1 1 85 85 GLU CB C 85 33.540 33.540 32.520 1.020 18375 4096 1 7 . 1 1 85 85 GLU H H 85 8.800 8.800 8.168 0.632 18375 4097 1 7 . 1 1 86 86 MET N N 86 118.950 118.950 127.742 -8.792 18375 4098 1 7 . 1 1 86 86 MET HA H 86 5.250 5.250 4.279 0.971 18375 4099 1 7 . 1 1 86 86 MET C C 86 175.010 175.010 176.203 -1.193 18375 4100 1 7 . 1 1 86 86 MET CA C 86 53.880 53.880 56.847 -2.967 18375 4101 1 7 . 1 1 86 86 MET CB C 86 38.240 38.240 33.036 5.204 18375 4102 1 7 . 1 1 86 86 MET H H 86 8.490 8.490 8.741 -0.251 18375 4103 1 7 . 1 1 87 87 ASN N N 87 116.670 116.670 126.472 -9.802 18375 4104 1 7 . 1 1 87 87 ASN HA H 87 4.190 4.190 4.413 -0.223 18375 4105 1 7 . 1 1 87 87 ASN C C 87 174.810 174.810 175.844 -1.034 18375 4106 1 7 . 1 1 87 87 ASN CA C 87 54.520 54.520 56.274 -1.754 18375 4107 1 7 . 1 1 87 87 ASN CB C 87 39.330 39.330 37.476 1.854 18375 4108 1 7 . 1 1 87 87 ASN H H 87 8.250 8.250 9.396 -1.146 18375 4109 1 7 . 1 1 88 88 TYR N N 88 119.600 119.600 120.657 -1.057 18375 4110 1 7 . 1 1 88 88 TYR HA H 88 4.290 4.290 4.419 -0.129 18375 4111 1 7 . 1 1 88 88 TYR C C 88 175.620 175.620 174.637 0.983 18375 4112 1 7 . 1 1 88 88 TYR CA C 88 60.720 60.720 59.581 1.139 18375 4113 1 7 . 1 1 88 88 TYR CB C 88 41.430 41.430 36.940 4.490 18375 4114 1 7 . 1 1 88 88 TYR H H 88 8.940 8.940 8.622 0.318 18375 4115 1 7 . 1 1 89 89 SER N N 89 113.120 113.120 112.246 0.874 18375 4116 1 7 . 1 1 89 89 SER HA H 89 4.320 4.320 4.061 0.259 18375 4117 1 7 . 1 1 89 89 SER C C 89 174.860 174.860 174.087 0.773 18375 4118 1 7 . 1 1 89 89 SER CA C 89 58.690 58.690 59.273 -0.583 18375 4119 1 7 . 1 1 89 89 SER CB C 89 65.140 65.140 61.888 3.252 18375 4120 1 7 . 1 1 89 89 SER H H 89 8.060 8.060 8.392 -0.332 18375 4121 1 7 . 1 1 90 90 GLY N N 90 110.450 110.450 107.635 2.815 18375 4122 1 7 . 1 1 90 90 GLY C C 90 174.680 174.680 173.615 1.065 18375 4123 1 7 . 1 1 90 90 GLY CA C 90 45.950 45.950 45.578 0.372 18375 4124 1 7 . 1 1 90 90 GLY H H 90 8.180 8.180 8.606 -0.426 18375 4125 1 7 . 1 1 91 91 GLY N N 91 108.710 108.710 109.697 -0.987 18375 4126 1 7 . 1 1 91 91 GLY CA C 91 45.880 45.880 43.544 2.336 18375 4127 1 7 . 1 1 91 91 GLY H H 91 8.330 8.330 7.804 0.526 18375 4128 1 7 . 1 1 92 92 PRO HA H 92 4.040 4.040 4.126 -0.086 18375 4129 1 7 . 1 1 92 92 PRO C C 92 177.930 177.930 176.416 1.514 18375 4130 1 7 . 1 1 92 92 PRO CA C 92 64.710 64.710 64.067 0.643 18375 4131 1 7 . 1 1 92 92 PRO CB C 92 32.690 32.690 31.484 1.206 18375 4132 1 7 . 1 1 93 93 PHE N N 93 113.220 113.220 118.906 -5.686 18375 4133 1 7 . 1 1 93 93 PHE HA H 93 4.480 4.480 4.139 0.341 18375 4134 1 7 . 1 1 93 93 PHE C C 93 174.490 174.490 175.849 -1.359 18375 4135 1 7 . 1 1 93 93 PHE CA C 93 62.890 62.890 59.296 3.594 18375 4136 1 7 . 1 1 93 93 PHE CB C 93 37.410 37.410 37.284 0.126 18375 4137 1 7 . 1 1 93 93 PHE H H 93 8.350 8.350 7.979 0.371 18375 4138 1 7 . 1 1 94 94 SER N N 94 115.680 115.680 118.084 -2.404 18375 4139 1 7 . 1 1 94 94 SER HA H 94 4.620 4.620 4.456 0.164 18375 4140 1 7 . 1 1 94 94 SER C C 94 174.290 174.290 175.275 -0.985 18375 4141 1 7 . 1 1 94 94 SER CA C 94 59.150 59.150 58.707 0.443 18375 4142 1 7 . 1 1 94 94 SER CB C 94 64.690 64.690 62.898 1.792 18375 4143 1 7 . 1 1 94 94 SER H H 94 7.980 7.980 8.445 -0.465 18375 4144 1 7 . 1 1 95 95 VAL N N 95 112.520 112.520 127.380 -14.860 18375 4145 1 7 . 1 1 95 95 VAL HA H 95 4.830 4.830 3.819 1.011 18375 4146 1 7 . 1 1 95 95 VAL C C 95 175.770 175.770 174.667 1.103 18375 4147 1 7 . 1 1 95 95 VAL CA C 95 62.520 62.520 62.703 -0.183 18375 4148 1 7 . 1 1 95 95 VAL CB C 95 34.010 34.010 31.682 2.328 18375 4149 1 7 . 1 1 95 95 VAL H H 95 8.840 8.840 7.977 0.863 18375 4150 1 7 . 1 1 96 96 SER N N 96 122.260 122.260 125.495 -3.235 18375 4151 1 7 . 1 1 96 96 SER HA H 96 4.810 4.810 4.659 0.151 18375 4152 1 7 . 1 1 96 96 SER C C 96 172.250 172.250 173.508 -1.258 18375 4153 1 7 . 1 1 96 96 SER CA C 96 58.080 58.080 58.363 -0.283 18375 4154 1 7 . 1 1 96 96 SER CB C 96 66.590 66.590 64.264 2.325 18375 4155 1 7 . 1 1 96 96 SER H H 96 9.190 9.190 8.844 0.346 18375 4156 1 7 . 1 1 97 97 SER N N 97 112.810 112.810 119.156 -6.346 18375 4157 1 7 . 1 1 97 97 SER HA H 97 5.620 5.620 4.624 0.996 18375 4158 1 7 . 1 1 97 97 SER C C 97 174.130 174.130 174.731 -0.601 18375 4159 1 7 . 1 1 97 97 SER CA C 97 57.260 57.260 57.698 -0.438 18375 4160 1 7 . 1 1 97 97 SER CB C 97 66.740 66.740 64.433 2.307 18375 4161 1 7 . 1 1 97 97 SER H H 97 8.290 8.290 8.380 -0.090 18375 4162 1 7 . 1 1 98 98 ARG N N 98 122.640 122.640 125.911 -3.271 18375 4163 1 7 . 1 1 98 98 ARG HA H 98 4.650 4.650 4.582 0.068 18375 4164 1 7 . 1 1 98 98 ARG C C 98 174.030 174.030 174.927 -0.897 18375 4165 1 7 . 1 1 98 98 ARG CA C 98 56.640 56.640 55.077 1.563 18375 4166 1 7 . 1 1 98 98 ARG CB C 98 36.240 36.240 33.726 2.514 18375 4167 1 7 . 1 1 98 98 ARG H H 98 8.380 8.380 8.604 -0.224 18375 4168 1 7 . 1 1 99 99 THR N N 99 118.220 118.220 120.065 -1.845 18375 4169 1 7 . 1 1 99 99 THR HA H 99 5.280 5.280 4.695 0.585 18375 4170 1 7 . 1 1 99 99 THR C C 99 173.930 173.930 174.189 -0.259 18375 4171 1 7 . 1 1 99 99 THR CA C 99 62.820 62.820 62.130 0.690 18375 4172 1 7 . 1 1 99 99 THR CB C 99 71.360 71.360 68.970 2.390 18375 4173 1 7 . 1 1 99 99 THR H H 99 8.650 8.650 8.475 0.175 18375 4174 1 7 . 1 1 100 100 ILE N N 100 112.130 112.130 129.526 -17.396 18375 4175 1 7 . 1 1 100 100 ILE HA H 100 4.290 4.290 4.106 0.184 18375 4176 1 7 . 1 1 100 100 ILE C C 100 175.190 175.190 175.551 -0.361 18375 4177 1 7 . 1 1 100 100 ILE CA C 100 60.340 60.340 59.280 1.060 18375 4178 1 7 . 1 1 100 100 ILE CB C 100 40.390 40.390 35.853 4.537 18375 4179 1 7 . 1 1 100 100 ILE H H 100 9.560 9.560 8.367 1.193 18375 4180 1 7 . 1 1 101 101 SER N N 101 121.940 121.940 123.409 -1.469 18375 4181 1 7 . 1 1 101 101 SER HA H 101 4.120 4.120 4.532 -0.412 18375 4182 1 7 . 1 1 101 101 SER C C 101 174.230 174.230 175.795 -1.565 18375 4183 1 7 . 1 1 101 101 SER CA C 101 59.450 59.450 56.819 2.631 18375 4184 1 7 . 1 1 101 101 SER CB C 101 65.410 65.410 65.252 0.158 18375 4185 1 7 . 1 1 101 101 SER H H 101 8.860 8.860 8.620 0.240 18375 4186 1 7 . 1 1 102 102 ALA N N 102 123.870 123.870 128.352 -4.482 18375 4187 1 7 . 1 1 102 102 ALA HA H 102 3.910 3.910 4.042 -0.132 18375 4188 1 7 . 1 1 102 102 ALA C C 102 170.440 170.440 179.602 -9.162 18375 4189 1 7 . 1 1 102 102 ALA CA C 102 56.360 56.360 54.821 1.539 18375 4190 1 7 . 1 1 102 102 ALA CB C 102 19.430 19.430 18.446 0.984 18375 4191 1 7 . 1 1 102 102 ALA H H 102 8.860 8.860 8.912 -0.052 18375 4192 1 7 . 1 1 103 103 SER N N 103 109.980 109.980 113.669 -3.689 18375 4193 1 7 . 1 1 103 103 SER HA H 103 4.200 4.200 4.146 0.054 18375 4194 1 7 . 1 1 103 103 SER C C 103 176.050 176.050 176.126 -0.076 18375 4195 1 7 . 1 1 103 103 SER CA C 103 61.680 61.680 61.145 0.535 18375 4196 1 7 . 1 1 103 103 SER CB C 103 63.640 63.640 63.002 0.638 18375 4197 1 7 . 1 1 103 103 SER H H 103 8.180 8.180 7.884 0.296 18375 4198 1 7 . 1 1 104 104 GLU N N 104 121.250 121.250 119.706 1.544 18375 4199 1 7 . 1 1 104 104 GLU HA H 104 4.260 4.260 4.329 -0.069 18375 4200 1 7 . 1 1 104 104 GLU C C 104 178.240 178.240 178.657 -0.417 18375 4201 1 7 . 1 1 104 104 GLU CA C 104 57.960 57.960 57.946 0.014 18375 4202 1 7 . 1 1 104 104 GLU CB C 104 32.210 32.210 29.923 2.287 18375 4203 1 7 . 1 1 104 104 GLU H H 104 7.560 7.560 7.645 -0.085 18375 4204 1 7 . 1 1 105 105 ALA N N 105 121.520 121.520 123.526 -2.006 18375 4205 1 7 . 1 1 105 105 ALA HA H 105 4.060 4.060 4.287 -0.227 18375 4206 1 7 . 1 1 105 105 ALA C C 105 170.230 170.230 179.314 -9.084 18375 4207 1 7 . 1 1 105 105 ALA CA C 105 57.080 57.080 54.840 2.240 18375 4208 1 7 . 1 1 105 105 ALA CB C 105 19.320 19.320 18.198 1.122 18375 4209 1 7 . 1 1 105 105 ALA H H 105 8.280 8.280 8.458 -0.178 18375 4210 1 7 . 1 1 106 106 GLY N N 106 121.950 121.950 105.384 16.566 18375 4211 1 7 . 1 1 106 106 GLY C C 106 174.110 174.110 174.951 -0.841 18375 4212 1 7 . 1 1 106 106 GLY CA C 106 46.780 46.780 45.607 1.173 18375 4213 1 7 . 1 1 106 106 GLY H H 106 8.360 8.360 8.099 0.261 18375 4214 1 7 . 1 1 107 107 ASN N N 107 117.130 117.130 119.434 -2.304 18375 4215 1 7 . 1 1 107 107 ASN HA H 107 4.480 4.480 4.470 0.010 18375 4216 1 7 . 1 1 107 107 ASN C C 107 175.110 175.110 175.129 -0.019 18375 4217 1 7 . 1 1 107 107 ASN CA C 107 54.220 54.220 53.980 0.240 18375 4218 1 7 . 1 1 107 107 ASN CB C 107 38.890 38.890 39.395 -0.506 18375 4219 1 7 . 1 1 107 107 ASN H H 107 7.830 7.830 7.671 0.159 18375 4220 1 7 . 1 1 108 108 TYR N N 108 117.300 117.300 118.411 -1.111 18375 4221 1 7 . 1 1 108 108 TYR HA H 108 4.620 4.620 4.577 0.043 18375 4222 1 7 . 1 1 108 108 TYR C C 108 174.810 174.810 175.728 -0.918 18375 4223 1 7 . 1 1 108 108 TYR CA C 108 58.700 58.700 59.077 -0.377 18375 4224 1 7 . 1 1 108 108 TYR CB C 108 41.260 41.260 38.898 2.362 18375 4225 1 7 . 1 1 108 108 TYR H H 108 7.020 7.020 7.509 -0.489 18375 4226 1 7 . 1 1 109 109 ASN N N 109 117.260 117.260 118.574 -1.314 18375 4227 1 7 . 1 1 109 109 ASN HA H 109 5.020 5.020 5.219 -0.199 18375 4228 1 7 . 1 1 109 109 ASN C C 109 173.590 173.590 174.180 -0.590 18375 4229 1 7 . 1 1 109 109 ASN CA C 109 53.140 53.140 52.591 0.549 18375 4230 1 7 . 1 1 109 109 ASN CB C 109 41.590 41.590 40.739 0.851 18375 4231 1 7 . 1 1 109 109 ASN H H 109 7.910 7.910 8.939 -1.029 18375 4232 1 7 . 1 1 110 110 TYR N N 110 117.410 117.410 114.855 2.555 18375 4233 1 7 . 1 1 110 110 TYR HA H 110 5.300 5.300 5.411 -0.111 18375 4234 1 7 . 1 1 110 110 TYR C C 110 174.450 174.450 173.562 0.888 18375 4235 1 7 . 1 1 110 110 TYR CA C 110 57.740 57.740 56.184 1.556 18375 4236 1 7 . 1 1 110 110 TYR CB C 110 41.580 41.580 40.978 0.602 18375 4237 1 7 . 1 1 110 110 TYR H H 110 9.340 9.340 9.341 -0.001 18375 4238 1 7 . 1 1 111 111 ILE N N 111 123.080 123.080 120.493 2.587 18375 4239 1 7 . 1 1 111 111 ILE HA H 111 4.360 4.360 4.755 -0.395 18375 4240 1 7 . 1 1 111 111 ILE C C 111 175.250 175.250 174.333 0.917 18375 4241 1 7 . 1 1 111 111 ILE CA C 111 61.530 61.530 59.966 1.564 18375 4242 1 7 . 1 1 111 111 ILE CB C 111 40.560 40.560 39.118 1.442 18375 4243 1 7 . 1 1 111 111 ILE H H 111 9.320 9.320 8.607 0.713 18375 4244 1 7 . 1 1 112 112 HIS N N 112 109.020 109.020 122.095 -13.075 18375 4245 1 7 . 1 1 112 112 HIS HA H 112 4.560 4.560 4.989 -0.429 18375 4246 1 7 . 1 1 112 112 HIS C C 112 173.980 173.980 174.072 -0.092 18375 4247 1 7 . 1 1 112 112 HIS CA C 112 57.550 57.550 53.942 3.608 18375 4248 1 7 . 1 1 112 112 HIS CB C 112 31.350 31.350 32.418 -1.068 18375 4249 1 7 . 1 1 112 112 HIS H H 112 8.710 8.710 8.694 0.016 18375 4250 1 8 . 1 1 3 3 SER HA H 3 4.510 4.510 4.400 0.110 18375 4251 1 8 . 1 1 3 3 SER C C 3 174.460 174.460 173.965 0.495 18375 4252 1 8 . 1 1 3 3 SER CA C 3 59.400 59.400 58.211 1.189 18375 4253 1 8 . 1 1 3 3 SER CB C 3 64.820 64.820 63.408 1.412 18375 4254 1 8 . 1 1 4 4 ILE N N 4 121.890 121.890 121.108 0.782 18375 4255 1 8 . 1 1 4 4 ILE HA H 4 4.210 4.210 3.924 0.286 18375 4256 1 8 . 1 1 4 4 ILE C C 4 176.040 176.040 175.349 0.691 18375 4257 1 8 . 1 1 4 4 ILE CA C 4 62.180 62.180 61.962 0.217 18375 4258 1 8 . 1 1 4 4 ILE CB C 4 39.930 39.930 35.409 4.521 18375 4259 1 8 . 1 1 4 4 ILE H H 4 8.180 8.180 7.800 0.380 18375 4260 1 8 . 1 1 5 5 SER N N 5 119.230 119.230 118.296 0.934 18375 4261 1 8 . 1 1 5 5 SER C C 5 174.290 174.290 174.267 0.023 18375 4262 1 8 . 1 1 5 5 SER CA C 5 59.140 59.140 59.071 0.070 18375 4263 1 8 . 1 1 5 5 SER CB C 5 64.930 64.930 64.668 0.262 18375 4264 1 8 . 1 1 5 5 SER H H 5 8.270 8.270 8.528 -0.258 18375 4265 1 8 . 1 1 6 6 HIS HA H 6 4.650 4.650 4.792 -0.142 18375 4266 1 8 . 1 1 6 6 HIS CA C 6 57.240 57.240 55.794 1.446 18375 4267 1 8 . 1 1 6 6 HIS CB C 6 31.150 31.150 31.549 -0.399 18375 4268 1 8 . 1 1 7 7 SER N N 7 117.260 117.260 120.695 -3.435 18375 4269 1 8 . 1 1 7 7 SER HA H 7 4.430 4.430 4.684 -0.254 18375 4270 1 8 . 1 1 7 7 SER C C 7 174.890 174.890 173.779 1.111 18375 4271 1 8 . 1 1 7 7 SER CA C 7 59.750 59.750 57.556 2.194 18375 4272 1 8 . 1 1 7 7 SER CB C 7 64.890 64.890 64.857 0.033 18375 4273 1 8 . 1 1 7 7 SER H H 7 8.360 8.360 8.229 0.131 18375 4274 1 8 . 1 1 8 8 GLY N N 8 110.140 110.140 114.187 -4.047 18375 4275 1 8 . 1 1 8 8 GLY C C 8 173.340 173.340 173.222 0.118 18375 4276 1 8 . 1 1 8 8 GLY CA C 8 45.920 45.920 45.051 0.869 18375 4277 1 8 . 1 1 8 8 GLY H H 8 8.500 8.500 8.669 -0.169 18375 4278 1 8 . 1 1 9 9 ASN N N 9 118.840 118.840 119.700 -0.860 18375 4279 1 8 . 1 1 9 9 ASN HA H 9 3.430 3.430 5.067 -1.637 18375 4280 1 8 . 1 1 9 9 ASN C C 9 175.460 175.460 176.065 -0.605 18375 4281 1 8 . 1 1 9 9 ASN CA C 9 53.400 53.400 52.071 1.329 18375 4282 1 8 . 1 1 9 9 ASN CB C 9 38.780 38.780 39.725 -0.945 18375 4283 1 8 . 1 1 9 9 ASN H H 9 8.280 8.280 8.597 -0.317 18375 4284 1 8 . 1 1 10 10 LEU N N 10 125.560 125.560 116.845 8.715 18375 4285 1 8 . 1 1 10 10 LEU HA H 10 4.250 4.250 4.245 0.005 18375 4286 1 8 . 1 1 10 10 LEU C C 10 177.320 177.320 176.967 0.353 18375 4287 1 8 . 1 1 10 10 LEU CA C 10 55.080 55.080 55.966 -0.886 18375 4288 1 8 . 1 1 10 10 LEU CB C 10 42.110 42.110 42.059 0.051 18375 4289 1 8 . 1 1 10 10 LEU H H 10 6.850 6.850 8.245 -1.395 18375 4290 1 8 . 1 1 11 11 TYR N N 11 120.920 120.920 118.482 2.438 18375 4291 1 8 . 1 1 11 11 TYR HA H 11 4.350 4.350 4.491 -0.141 18375 4292 1 8 . 1 1 11 11 TYR C C 11 174.800 174.800 177.112 -2.312 18375 4293 1 8 . 1 1 11 11 TYR CA C 11 60.200 60.200 58.673 1.527 18375 4294 1 8 . 1 1 11 11 TYR CB C 11 38.520 38.520 40.648 -2.127 18375 4295 1 8 . 1 1 11 11 TYR H H 11 7.680 7.680 8.664 -0.984 18375 4296 1 8 . 1 1 12 12 THR N N 12 118.320 118.320 115.026 3.294 18375 4297 1 8 . 1 1 12 12 THR HA H 12 3.680 3.680 4.101 -0.421 18375 4298 1 8 . 1 1 12 12 THR C C 12 173.180 173.180 173.275 -0.095 18375 4299 1 8 . 1 1 12 12 THR CA C 12 65.310 65.310 65.292 0.018 18375 4300 1 8 . 1 1 12 12 THR CB C 12 70.080 70.080 69.509 0.571 18375 4301 1 8 . 1 1 12 12 THR H H 12 8.320 8.320 8.665 -0.345 18375 4302 1 8 . 1 1 13 13 ALA N N 13 111.540 111.540 122.171 -10.631 18375 4303 1 8 . 1 1 13 13 ALA HA H 13 3.690 3.690 2.734 0.956 18375 4304 1 8 . 1 1 13 13 ALA CA C 13 53.700 53.700 51.307 2.393 18375 4305 1 8 . 1 1 13 13 ALA H H 13 8.150 8.150 7.460 0.690 18375 4306 1 8 . 1 1 14 14 GLY N N 14 109.410 109.410 108.161 1.249 18375 4307 1 8 . 1 1 14 14 GLY C C 14 173.310 173.310 173.467 -0.157 18375 4308 1 8 . 1 1 14 14 GLY CA C 14 44.150 44.150 44.484 -0.334 18375 4309 1 8 . 1 1 14 14 GLY H H 14 4.990 4.990 6.598 -1.608 18375 4310 1 8 . 1 1 15 15 GLN N N 15 115.720 115.720 117.844 -2.124 18375 4311 1 8 . 1 1 15 15 GLN HA H 15 4.410 4.410 4.705 -0.295 18375 4312 1 8 . 1 1 15 15 GLN C C 15 176.310 176.310 176.498 -0.188 18375 4313 1 8 . 1 1 15 15 GLN CA C 15 55.570 55.570 54.497 1.073 18375 4314 1 8 . 1 1 15 15 GLN CB C 15 31.180 31.180 31.265 -0.085 18375 4315 1 8 . 1 1 15 15 GLN H H 15 7.170 7.170 7.988 -0.818 18375 4316 1 8 . 1 1 16 16 CYS N N 16 118.020 118.020 117.533 0.487 18375 4317 1 8 . 1 1 16 16 CYS HA H 16 4.590 4.590 4.328 0.262 18375 4318 1 8 . 1 1 16 16 CYS C C 16 176.730 176.730 176.201 0.529 18375 4319 1 8 . 1 1 16 16 CYS CA C 16 61.050 61.050 61.634 -0.584 18375 4320 1 8 . 1 1 16 16 CYS CB C 16 28.600 28.600 28.038 0.562 18375 4321 1 8 . 1 1 16 16 CYS H H 16 9.300 9.300 8.890 0.410 18375 4322 1 8 . 1 1 17 17 THR N N 17 113.910 113.910 110.101 3.809 18375 4323 1 8 . 1 1 17 17 THR HA H 17 3.180 3.180 4.416 -1.236 18375 4324 1 8 . 1 1 17 17 THR C C 17 174.260 174.260 175.101 -0.841 18375 4325 1 8 . 1 1 17 17 THR CA C 17 62.800 62.800 63.057 -0.257 18375 4326 1 8 . 1 1 17 17 THR CB C 17 69.000 69.000 67.651 1.349 18375 4327 1 8 . 1 1 17 17 THR H H 17 7.300 7.300 8.227 -0.927 18375 4328 1 8 . 1 1 18 18 TRP N N 18 123.650 123.650 124.895 -1.245 18375 4329 1 8 . 1 1 18 18 TRP HA H 18 4.380 4.380 4.648 -0.268 18375 4330 1 8 . 1 1 18 18 TRP C C 18 177.910 177.910 176.971 0.939 18375 4331 1 8 . 1 1 18 18 TRP CA C 18 61.600 61.600 60.891 0.709 18375 4332 1 8 . 1 1 18 18 TRP CB C 18 31.320 31.320 30.467 0.853 18375 4333 1 8 . 1 1 18 18 TRP H H 18 6.640 6.640 7.515 -0.875 18375 4334 1 8 . 1 1 19 19 TYR N N 19 115.660 115.660 120.370 -4.710 18375 4335 1 8 . 1 1 19 19 TYR HA H 19 4.120 4.120 3.900 0.220 18375 4336 1 8 . 1 1 19 19 TYR C C 19 177.170 177.170 177.284 -0.114 18375 4337 1 8 . 1 1 19 19 TYR CA C 19 61.370 61.370 62.033 -0.663 18375 4338 1 8 . 1 1 19 19 TYR CB C 19 42.110 42.110 38.787 3.323 18375 4339 1 8 . 1 1 19 19 TYR H H 19 7.680 7.680 8.891 -1.211 18375 4340 1 8 . 1 1 20 20 VAL N N 20 116.740 116.740 118.255 -1.515 18375 4341 1 8 . 1 1 20 20 VAL HA H 20 3.030 3.030 3.613 -0.583 18375 4342 1 8 . 1 1 20 20 VAL C C 20 176.410 176.410 177.898 -1.488 18375 4343 1 8 . 1 1 20 20 VAL CA C 20 68.360 68.360 67.018 1.342 18375 4344 1 8 . 1 1 20 20 VAL CB C 20 32.210 32.210 31.358 0.852 18375 4345 1 8 . 1 1 20 20 VAL H H 20 7.450 7.450 7.968 -0.518 18375 4346 1 8 . 1 1 21 21 TYR N N 21 118.550 118.550 120.778 -2.228 18375 4347 1 8 . 1 1 21 21 TYR HA H 21 3.560 3.560 4.282 -0.722 18375 4348 1 8 . 1 1 21 21 TYR C C 21 176.490 176.490 177.306 -0.816 18375 4349 1 8 . 1 1 21 21 TYR CA C 21 63.990 63.990 61.099 2.891 18375 4350 1 8 . 1 1 21 21 TYR CB C 21 38.970 38.970 38.408 0.562 18375 4351 1 8 . 1 1 21 21 TYR H H 21 8.370 8.370 7.800 0.570 18375 4352 1 8 . 1 1 22 22 ASP N N 22 115.760 115.760 118.379 -2.619 18375 4353 1 8 . 1 1 22 22 ASP HA H 22 4.260 4.260 4.021 0.239 18375 4354 1 8 . 1 1 22 22 ASP C C 22 169.690 169.690 178.397 -8.707 18375 4355 1 8 . 1 1 22 22 ASP CA C 22 58.010 58.010 56.974 1.036 18375 4356 1 8 . 1 1 22 22 ASP CB C 22 41.770 41.770 40.474 1.296 18375 4357 1 8 . 1 1 22 22 ASP H H 22 6.880 6.880 7.918 -1.038 18375 4358 1 8 . 1 1 23 23 LYS N N 23 121.790 121.790 118.353 3.437 18375 4359 1 8 . 1 1 23 23 LYS HA H 23 3.610 3.610 3.698 -0.088 18375 4360 1 8 . 1 1 23 23 LYS C C 23 178.360 178.360 178.379 -0.019 18375 4361 1 8 . 1 1 23 23 LYS CA C 23 57.990 57.990 57.832 0.158 18375 4362 1 8 . 1 1 23 23 LYS CB C 23 31.350 31.350 31.570 -0.220 18375 4363 1 8 . 1 1 23 23 LYS H H 23 7.820 7.820 7.483 0.337 18375 4364 1 8 . 1 1 24 24 VAL N N 24 108.790 108.790 111.236 -2.446 18375 4365 1 8 . 1 1 24 24 VAL HA H 24 4.390 4.390 4.212 0.178 18375 4366 1 8 . 1 1 24 24 VAL C C 24 176.840 176.840 176.363 0.477 18375 4367 1 8 . 1 1 24 24 VAL CA C 24 61.430 61.430 62.237 -0.807 18375 4368 1 8 . 1 1 24 24 VAL CB C 24 31.690 31.690 31.850 -0.160 18375 4369 1 8 . 1 1 24 24 VAL H H 24 7.590 7.590 7.543 0.047 18375 4370 1 8 . 1 1 25 25 GLY N N 25 110.620 110.620 108.252 2.368 18375 4371 1 8 . 1 1 25 25 GLY C C 25 175.510 175.510 175.037 0.473 18375 4372 1 8 . 1 1 25 25 GLY CA C 25 47.110 47.110 45.406 1.704 18375 4373 1 8 . 1 1 25 25 GLY H H 25 7.680 7.680 7.448 0.232 18375 4374 1 8 . 1 1 26 26 GLY N N 26 122.410 122.410 106.528 15.882 18375 4375 1 8 . 1 1 26 26 GLY C C 26 174.470 174.470 174.667 -0.197 18375 4376 1 8 . 1 1 26 26 GLY CA C 26 46.440 46.440 44.377 2.063 18375 4377 1 8 . 1 1 26 26 GLY H H 26 7.870 7.870 7.421 0.449 18375 4378 1 8 . 1 1 27 27 GLU N N 27 116.720 116.720 117.882 -1.162 18375 4379 1 8 . 1 1 27 27 GLU HA H 27 4.150 4.150 4.058 0.092 18375 4380 1 8 . 1 1 27 27 GLU C C 27 175.810 175.810 175.983 -0.173 18375 4381 1 8 . 1 1 27 27 GLU CA C 27 58.110 58.110 58.053 0.057 18375 4382 1 8 . 1 1 27 27 GLU CB C 27 30.500 30.500 29.944 0.556 18375 4383 1 8 . 1 1 27 27 GLU H H 27 6.650 6.650 7.595 -0.945 18375 4384 1 8 . 1 1 28 28 ILE N N 28 125.210 125.210 118.323 6.887 18375 4385 1 8 . 1 1 28 28 ILE HA H 28 4.040 4.040 4.432 -0.392 18375 4386 1 8 . 1 1 28 28 ILE CA C 28 60.160 60.160 60.419 -0.259 18375 4387 1 8 . 1 1 28 28 ILE CB C 28 40.940 40.940 39.406 1.534 18375 4388 1 8 . 1 1 28 28 ILE H H 28 6.330 6.330 7.362 -1.032 18375 4389 1 8 . 1 1 29 29 GLY C C 29 174.050 174.050 174.673 -0.623 18375 4390 1 8 . 1 1 29 29 GLY CA C 29 46.190 46.190 44.941 1.249 18375 4391 1 8 . 1 1 30 30 SER N N 30 115.530 115.530 114.578 0.952 18375 4392 1 8 . 1 1 30 30 SER HA H 30 4.140 4.140 3.264 0.876 18375 4393 1 8 . 1 1 30 30 SER C C 30 174.000 174.000 174.174 -0.174 18375 4394 1 8 . 1 1 30 30 SER CA C 30 60.180 60.180 60.658 -0.478 18375 4395 1 8 . 1 1 30 30 SER CB C 30 65.150 65.150 61.123 4.027 18375 4396 1 8 . 1 1 30 30 SER H H 30 8.540 8.540 7.215 1.325 18375 4397 1 8 . 1 1 31 31 THR N N 31 124.440 124.440 112.714 11.726 18375 4398 1 8 . 1 1 31 31 THR HA H 31 4.460 4.460 4.492 -0.032 18375 4399 1 8 . 1 1 31 31 THR C C 31 175.390 175.390 174.519 0.871 18375 4400 1 8 . 1 1 31 31 THR CA C 31 61.350 61.350 61.337 0.013 18375 4401 1 8 . 1 1 31 31 THR CB C 31 69.190 69.190 69.087 0.103 18375 4402 1 8 . 1 1 31 31 THR H H 31 7.070 7.070 7.674 -0.604 18375 4403 1 8 . 1 1 32 32 TRP N N 32 121.120 121.120 120.105 1.015 18375 4404 1 8 . 1 1 32 32 TRP HA H 32 4.470 4.470 4.596 -0.126 18375 4405 1 8 . 1 1 32 32 TRP C C 32 175.720 175.720 176.284 -0.564 18375 4406 1 8 . 1 1 32 32 TRP CA C 32 57.500 57.500 54.483 3.017 18375 4407 1 8 . 1 1 32 32 TRP CB C 32 28.670 28.670 27.721 0.949 18375 4408 1 8 . 1 1 32 32 TRP H H 32 7.750 7.750 7.119 0.631 18375 4409 1 8 . 1 1 33 33 GLY N N 33 125.330 125.330 110.994 14.336 18375 4410 1 8 . 1 1 33 33 GLY C C 33 175.520 175.520 174.456 1.064 18375 4411 1 8 . 1 1 33 33 GLY CA C 33 46.390 46.390 45.872 0.518 18375 4412 1 8 . 1 1 33 33 GLY H H 33 8.580 8.580 7.985 0.595 18375 4413 1 8 . 1 1 34 34 ASN N N 34 118.870 118.870 121.888 -3.018 18375 4414 1 8 . 1 1 34 34 ASN HA H 34 4.720 4.720 5.132 -0.412 18375 4415 1 8 . 1 1 34 34 ASN C C 34 175.710 175.710 175.514 0.196 18375 4416 1 8 . 1 1 34 34 ASN CA C 34 54.630 54.630 51.885 2.745 18375 4417 1 8 . 1 1 34 34 ASN CB C 34 40.050 40.050 41.027 -0.977 18375 4418 1 8 . 1 1 34 34 ASN H H 34 8.780 8.780 9.280 -0.500 18375 4419 1 8 . 1 1 35 35 ALA N N 35 121.960 121.960 122.219 -0.259 18375 4420 1 8 . 1 1 35 35 ALA HA H 35 2.920 2.920 3.316 -0.396 18375 4421 1 8 . 1 1 35 35 ALA C C 35 169.710 169.710 178.318 -8.608 18375 4422 1 8 . 1 1 35 35 ALA CA C 35 55.950 55.950 54.990 0.960 18375 4423 1 8 . 1 1 35 35 ALA CB C 35 20.460 20.460 18.512 1.948 18375 4424 1 8 . 1 1 35 35 ALA H H 35 8.750 8.750 8.863 -0.113 18375 4425 1 8 . 1 1 36 36 ASN N N 36 114.940 114.940 114.884 0.056 18375 4426 1 8 . 1 1 36 36 ASN HA H 36 4.170 4.170 4.586 -0.416 18375 4427 1 8 . 1 1 36 36 ASN C C 36 175.200 175.200 175.847 -0.647 18375 4428 1 8 . 1 1 36 36 ASN CA C 36 55.930 55.930 55.014 0.916 18375 4429 1 8 . 1 1 36 36 ASN CB C 36 36.690 36.690 38.233 -1.543 18375 4430 1 8 . 1 1 36 36 ASN H H 36 8.410 8.410 8.151 0.259 18375 4431 1 8 . 1 1 37 37 ASN N N 37 120.180 120.180 117.221 2.959 18375 4432 1 8 . 1 1 37 37 ASN HA H 37 5.060 5.060 4.878 0.182 18375 4433 1 8 . 1 1 37 37 ASN C C 37 176.530 176.530 175.972 0.558 18375 4434 1 8 . 1 1 37 37 ASN CA C 37 54.250 54.250 53.174 1.076 18375 4435 1 8 . 1 1 37 37 ASN CB C 37 41.720 41.720 38.030 3.690 18375 4436 1 8 . 1 1 37 37 ASN H H 37 8.850 8.850 7.854 0.996 18375 4437 1 8 . 1 1 38 38 TRP N N 38 118.410 118.410 123.204 -4.794 18375 4438 1 8 . 1 1 38 38 TRP HA H 38 4.190 4.190 4.451 -0.261 18375 4439 1 8 . 1 1 38 38 TRP C C 38 177.390 177.390 178.298 -0.908 18375 4440 1 8 . 1 1 38 38 TRP CA C 38 63.450 63.450 62.638 0.812 18375 4441 1 8 . 1 1 38 38 TRP CB C 38 29.680 29.680 28.509 1.171 18375 4442 1 8 . 1 1 38 38 TRP H H 38 8.240 8.240 7.538 0.702 18375 4443 1 8 . 1 1 39 39 ALA N N 39 118.400 118.400 119.963 -1.563 18375 4444 1 8 . 1 1 39 39 ALA HA H 39 3.770 3.770 4.000 -0.230 18375 4445 1 8 . 1 1 39 39 ALA C C 39 178.580 178.580 179.558 -0.978 18375 4446 1 8 . 1 1 39 39 ALA CA C 39 56.760 56.760 55.781 0.979 18375 4447 1 8 . 1 1 39 39 ALA CB C 39 18.020 18.020 17.616 0.404 18375 4448 1 8 . 1 1 39 39 ALA H H 39 7.150 7.150 8.861 -1.711 18375 4449 1 8 . 1 1 40 40 ALA N N 40 121.830 121.830 120.954 0.876 18375 4450 1 8 . 1 1 40 40 ALA HA H 40 3.990 3.990 4.112 -0.122 18375 4451 1 8 . 1 1 40 40 ALA C C 40 171.320 171.320 179.442 -8.122 18375 4452 1 8 . 1 1 40 40 ALA CA C 40 55.610 55.610 54.451 1.159 18375 4453 1 8 . 1 1 40 40 ALA CB C 40 18.840 18.840 18.464 0.376 18375 4454 1 8 . 1 1 40 40 ALA H H 40 8.060 8.060 8.101 -0.041 18375 4455 1 8 . 1 1 41 41 ALA N N 41 122.200 122.200 120.848 1.352 18375 4456 1 8 . 1 1 41 41 ALA HA H 41 3.630 3.630 3.976 -0.346 18375 4457 1 8 . 1 1 41 41 ALA C C 41 170.110 170.110 179.214 -9.104 18375 4458 1 8 . 1 1 41 41 ALA CA C 41 55.240 55.240 54.799 0.441 18375 4459 1 8 . 1 1 41 41 ALA CB C 41 18.020 18.020 18.653 -0.633 18375 4460 1 8 . 1 1 41 41 ALA H H 41 8.250 8.250 8.309 -0.059 18375 4461 1 8 . 1 1 42 42 ALA N N 42 119.600 119.600 121.751 -2.151 18375 4462 1 8 . 1 1 42 42 ALA HA H 42 3.270 3.270 3.124 0.146 18375 4463 1 8 . 1 1 42 42 ALA C C 42 170.160 170.160 179.440 -9.280 18375 4464 1 8 . 1 1 42 42 ALA CA C 42 55.480 55.480 54.765 0.715 18375 4465 1 8 . 1 1 42 42 ALA CB C 42 19.890 19.890 18.334 1.556 18375 4466 1 8 . 1 1 42 42 ALA H H 42 7.710 7.710 8.784 -1.074 18375 4467 1 8 . 1 1 43 43 GLN N N 43 118.750 118.750 117.953 0.797 18375 4468 1 8 . 1 1 43 43 GLN HA H 43 4.340 4.340 4.325 0.015 18375 4469 1 8 . 1 1 43 43 GLN C C 43 170.980 170.980 179.009 -8.029 18375 4470 1 8 . 1 1 43 43 GLN CA C 43 60.200 60.200 58.090 2.110 18375 4471 1 8 . 1 1 43 43 GLN CB C 43 29.710 29.710 28.878 0.831 18375 4472 1 8 . 1 1 43 43 GLN H H 43 7.880 7.880 8.116 -0.236 18375 4473 1 8 . 1 1 44 44 GLY N N 44 125.760 125.760 106.929 18.831 18375 4474 1 8 . 1 1 44 44 GLY C C 44 174.300 174.300 175.023 -0.723 18375 4475 1 8 . 1 1 44 44 GLY CA C 44 47.660 47.660 46.100 1.560 18375 4476 1 8 . 1 1 44 44 GLY H H 44 8.010 8.010 7.635 0.375 18375 4477 1 8 . 1 1 45 45 ALA N N 45 121.480 121.480 122.324 -0.844 18375 4478 1 8 . 1 1 45 45 ALA HA H 45 4.620 4.620 4.266 0.354 18375 4479 1 8 . 1 1 45 45 ALA C C 45 177.190 177.190 177.733 -0.543 18375 4480 1 8 . 1 1 45 45 ALA CA C 45 52.680 52.680 52.435 0.245 18375 4481 1 8 . 1 1 45 45 ALA CB C 45 20.560 20.560 19.500 1.060 18375 4482 1 8 . 1 1 45 45 ALA H H 45 7.540 7.540 7.547 -0.007 18375 4483 1 8 . 1 1 46 46 GLY N N 46 123.690 123.690 104.042 19.648 18375 4484 1 8 . 1 1 46 46 GLY C C 46 174.980 174.980 174.111 0.869 18375 4485 1 8 . 1 1 46 46 GLY CA C 46 46.540 46.540 44.799 1.741 18375 4486 1 8 . 1 1 46 46 GLY H H 46 7.680 7.680 7.677 0.003 18375 4487 1 8 . 1 1 47 47 PHE N N 47 119.960 119.960 121.098 -1.138 18375 4488 1 8 . 1 1 47 47 PHE HA H 47 4.620 4.620 4.853 -0.233 18375 4489 1 8 . 1 1 47 47 PHE C C 47 176.120 176.120 175.965 0.155 18375 4490 1 8 . 1 1 47 47 PHE CA C 47 59.000 59.000 55.729 3.271 18375 4491 1 8 . 1 1 47 47 PHE CB C 47 40.350 40.350 39.199 1.151 18375 4492 1 8 . 1 1 47 47 PHE H H 47 8.280 8.280 8.185 0.095 18375 4493 1 8 . 1 1 48 48 THR N N 48 120.680 120.680 119.175 1.505 18375 4494 1 8 . 1 1 48 48 THR HA H 48 4.190 4.190 4.726 -0.536 18375 4495 1 8 . 1 1 48 48 THR C C 48 173.000 173.000 173.741 -0.741 18375 4496 1 8 . 1 1 48 48 THR CA C 48 65.150 65.150 61.157 3.993 18375 4497 1 8 . 1 1 48 48 THR CB C 48 70.530 70.530 70.012 0.518 18375 4498 1 8 . 1 1 48 48 THR H H 48 9.260 9.260 8.773 0.487 18375 4499 1 8 . 1 1 49 49 VAL N N 49 111.320 111.320 122.636 -11.316 18375 4500 1 8 . 1 1 49 49 VAL HA H 49 5.380 5.380 4.812 0.568 18375 4501 1 8 . 1 1 49 49 VAL C C 49 175.570 175.570 176.158 -0.588 18375 4502 1 8 . 1 1 49 49 VAL CA C 49 61.510 61.510 60.050 1.460 18375 4503 1 8 . 1 1 49 49 VAL CB C 49 34.960 34.960 33.840 1.120 18375 4504 1 8 . 1 1 49 49 VAL H H 49 8.560 8.560 8.562 -0.002 18375 4505 1 8 . 1 1 50 50 ASN N N 50 125.000 125.000 114.366 10.634 18375 4506 1 8 . 1 1 50 50 ASN HA H 50 4.800 4.800 4.512 0.288 18375 4507 1 8 . 1 1 50 50 ASN C C 50 174.270 174.270 175.209 -0.939 18375 4508 1 8 . 1 1 50 50 ASN CA C 50 53.430 53.430 54.658 -1.228 18375 4509 1 8 . 1 1 50 50 ASN CB C 50 39.100 39.100 37.156 1.944 18375 4510 1 8 . 1 1 50 50 ASN H H 50 9.010 9.010 8.178 0.832 18375 4511 1 8 . 1 1 51 51 HIS N N 51 114.650 114.650 120.930 -6.280 18375 4512 1 8 . 1 1 51 51 HIS HA H 51 5.760 5.760 4.392 1.368 18375 4513 1 8 . 1 1 51 51 HIS C C 51 174.060 174.060 175.675 -1.615 18375 4514 1 8 . 1 1 51 51 HIS CA C 51 56.360 56.360 58.204 -1.844 18375 4515 1 8 . 1 1 51 51 HIS CB C 51 29.980 29.980 29.903 0.077 18375 4516 1 8 . 1 1 51 51 HIS H H 51 8.550 8.550 7.858 0.692 18375 4517 1 8 . 1 1 52 52 THR N N 52 119.910 119.910 112.880 7.030 18375 4518 1 8 . 1 1 52 52 THR HA H 52 4.600 4.600 4.251 0.349 18375 4519 1 8 . 1 1 52 52 THR CA C 52 60.140 60.140 62.106 -1.966 18375 4520 1 8 . 1 1 52 52 THR CB C 52 71.890 71.890 68.913 2.977 18375 4521 1 8 . 1 1 52 52 THR H H 52 8.500 8.500 7.682 0.818 18375 4522 1 8 . 1 1 53 53 PRO HA H 53 2.920 2.920 4.451 -1.531 18375 4523 1 8 . 1 1 53 53 PRO C C 53 175.410 175.410 176.089 -0.679 18375 4524 1 8 . 1 1 53 53 PRO CA C 53 62.460 62.460 63.410 -0.951 18375 4525 1 8 . 1 1 53 53 PRO CB C 53 33.410 33.410 32.455 0.955 18375 4526 1 8 . 1 1 54 54 SER N N 54 108.990 108.990 115.821 -6.831 18375 4527 1 8 . 1 1 54 54 SER HA H 54 4.300 4.300 4.656 -0.356 18375 4528 1 8 . 1 1 54 54 SER C C 54 172.380 172.380 172.248 0.132 18375 4529 1 8 . 1 1 54 54 SER CA C 54 58.270 58.270 56.972 1.298 18375 4530 1 8 . 1 1 54 54 SER CB C 54 66.620 66.620 64.747 1.873 18375 4531 1 8 . 1 1 54 54 SER H H 54 6.000 6.000 8.155 -2.155 18375 4532 1 8 . 1 1 55 55 LYS N N 55 124.470 124.470 123.463 1.007 18375 4533 1 8 . 1 1 55 55 LYS HA H 55 3.500 3.500 4.039 -0.539 18375 4534 1 8 . 1 1 55 55 LYS C C 55 177.150 177.150 177.467 -0.317 18375 4535 1 8 . 1 1 55 55 LYS CA C 55 59.850 59.850 57.681 2.169 18375 4536 1 8 . 1 1 55 55 LYS CB C 55 33.010 33.010 32.332 0.678 18375 4537 1 8 . 1 1 55 55 LYS H H 55 8.860 8.860 8.613 0.247 18375 4538 1 8 . 1 1 56 56 GLY N N 56 116.710 116.710 113.614 3.096 18375 4539 1 8 . 1 1 56 56 GLY C C 56 173.430 173.430 172.769 0.661 18375 4540 1 8 . 1 1 56 56 GLY CA C 56 45.600 45.600 45.004 0.596 18375 4541 1 8 . 1 1 56 56 GLY H H 56 8.950 8.950 8.274 0.676 18375 4542 1 8 . 1 1 57 57 ALA N N 57 118.940 118.940 119.854 -0.914 18375 4543 1 8 . 1 1 57 57 ALA HA H 57 4.630 4.630 4.564 0.066 18375 4544 1 8 . 1 1 57 57 ALA C C 57 174.570 174.570 174.598 -0.028 18375 4545 1 8 . 1 1 57 57 ALA CA C 57 51.840 51.840 50.468 1.372 18375 4546 1 8 . 1 1 57 57 ALA CB C 57 20.960 20.960 21.013 -0.053 18375 4547 1 8 . 1 1 57 57 ALA H H 57 7.420 7.420 7.395 0.025 18375 4548 1 8 . 1 1 58 58 ILE N N 58 117.340 117.340 116.660 0.680 18375 4549 1 8 . 1 1 58 58 ILE HA H 58 4.720 4.720 4.647 0.073 18375 4550 1 8 . 1 1 58 58 ILE C C 58 176.920 176.920 174.345 2.575 18375 4551 1 8 . 1 1 58 58 ILE CA C 58 60.910 60.910 60.120 0.790 18375 4552 1 8 . 1 1 58 58 ILE CB C 58 41.820 41.820 42.587 -0.767 18375 4553 1 8 . 1 1 58 58 ILE H H 58 8.350 8.350 7.882 0.468 18375 4554 1 8 . 1 1 59 59 LEU N N 59 112.330 112.330 121.808 -9.478 18375 4555 1 8 . 1 1 59 59 LEU HA H 59 4.220 4.220 4.478 -0.258 18375 4556 1 8 . 1 1 59 59 LEU C C 59 174.530 174.530 175.425 -0.895 18375 4557 1 8 . 1 1 59 59 LEU CA C 59 56.430 56.430 54.601 1.829 18375 4558 1 8 . 1 1 59 59 LEU CB C 59 44.160 44.160 44.556 -0.396 18375 4559 1 8 . 1 1 59 59 LEU H H 59 8.430 8.430 8.565 -0.135 18375 4560 1 8 . 1 1 60 60 GLN N N 60 111.170 111.170 120.464 -9.294 18375 4561 1 8 . 1 1 60 60 GLN HA H 60 4.970 4.970 4.606 0.364 18375 4562 1 8 . 1 1 60 60 GLN C C 60 172.980 172.980 174.091 -1.111 18375 4563 1 8 . 1 1 60 60 GLN CA C 60 56.720 56.720 55.280 1.440 18375 4564 1 8 . 1 1 60 60 GLN CB C 60 30.950 30.950 32.009 -1.059 18375 4565 1 8 . 1 1 60 60 GLN H H 60 9.490 9.490 8.384 1.106 18375 4566 1 8 . 1 1 61 61 SER N N 61 118.550 118.550 118.422 0.128 18375 4567 1 8 . 1 1 61 61 SER HA H 61 4.940 4.940 4.951 -0.011 18375 4568 1 8 . 1 1 61 61 SER C C 61 174.370 174.370 174.273 0.097 18375 4569 1 8 . 1 1 61 61 SER CA C 61 56.570 56.570 57.505 -0.935 18375 4570 1 8 . 1 1 61 61 SER CB C 61 67.130 67.130 64.873 2.257 18375 4571 1 8 . 1 1 61 61 SER H H 61 8.800 8.800 7.889 0.911 18375 4572 1 8 . 1 1 62 62 SER N N 62 120.910 120.910 121.504 -0.594 18375 4573 1 8 . 1 1 62 62 SER HA H 62 4.540 4.540 4.626 -0.086 18375 4574 1 8 . 1 1 62 62 SER C C 62 173.560 173.560 175.082 -1.522 18375 4575 1 8 . 1 1 62 62 SER CA C 62 59.270 59.270 58.714 0.556 18375 4576 1 8 . 1 1 62 62 SER CB C 62 64.390 64.390 63.432 0.958 18375 4577 1 8 . 1 1 62 62 SER H H 62 8.900 8.900 9.020 -0.120 18375 4578 1 8 . 1 1 63 63 GLU N N 63 121.810 121.810 123.867 -2.057 18375 4579 1 8 . 1 1 63 63 GLU HA H 63 4.220 4.220 4.330 -0.110 18375 4580 1 8 . 1 1 63 63 GLU C C 63 176.030 176.030 175.986 0.044 18375 4581 1 8 . 1 1 63 63 GLU CA C 63 57.840 57.840 55.917 1.923 18375 4582 1 8 . 1 1 63 63 GLU CB C 63 32.170 32.170 28.095 4.075 18375 4583 1 8 . 1 1 63 63 GLU H H 63 8.040 8.040 7.841 0.199 18375 4584 1 8 . 1 1 64 64 GLY N N 64 125.900 125.900 107.975 17.925 18375 4585 1 8 . 1 1 64 64 GLY CA C 64 45.490 45.490 44.672 0.818 18375 4586 1 8 . 1 1 64 64 GLY H H 64 8.200 8.200 8.010 0.190 18375 4587 1 8 . 1 1 65 65 PRO HA H 65 4.040 4.040 4.205 -0.165 18375 4588 1 8 . 1 1 65 65 PRO C C 65 177.870 177.870 176.243 1.627 18375 4589 1 8 . 1 1 65 65 PRO CA C 65 65.610 65.610 64.743 0.867 18375 4590 1 8 . 1 1 65 65 PRO CB C 65 32.160 32.160 31.932 0.228 18375 4591 1 8 . 1 1 66 66 PHE N N 66 112.970 112.970 115.709 -2.739 18375 4592 1 8 . 1 1 66 66 PHE HA H 66 4.920 4.920 4.832 0.088 18375 4593 1 8 . 1 1 66 66 PHE C C 66 176.190 176.190 175.237 0.953 18375 4594 1 8 . 1 1 66 66 PHE CA C 66 57.420 57.420 56.895 0.525 18375 4595 1 8 . 1 1 66 66 PHE CB C 66 42.360 42.360 39.423 2.937 18375 4596 1 8 . 1 1 66 66 PHE H H 66 8.490 8.490 7.911 0.579 18375 4597 1 8 . 1 1 67 67 GLY N N 67 124.370 124.370 108.897 15.473 18375 4598 1 8 . 1 1 67 67 GLY C C 67 172.480 172.480 173.270 -0.790 18375 4599 1 8 . 1 1 67 67 GLY CA C 67 46.860 46.860 45.068 1.792 18375 4600 1 8 . 1 1 67 67 GLY H H 67 6.940 6.940 7.176 -0.236 18375 4601 1 8 . 1 1 68 68 HIS N N 68 117.820 117.820 119.065 -1.245 18375 4602 1 8 . 1 1 68 68 HIS HA H 68 5.020 5.020 4.574 0.446 18375 4603 1 8 . 1 1 68 68 HIS C C 68 173.790 173.790 173.248 0.542 18375 4604 1 8 . 1 1 68 68 HIS CA C 68 58.230 58.230 54.651 3.579 18375 4605 1 8 . 1 1 68 68 HIS CB C 68 36.120 36.120 31.249 4.871 18375 4606 1 8 . 1 1 68 68 HIS H H 68 8.590 8.590 8.329 0.261 18375 4607 1 8 . 1 1 69 69 VAL N N 69 116.830 116.830 119.647 -2.817 18375 4608 1 8 . 1 1 69 69 VAL HA H 69 5.320 5.320 4.105 1.215 18375 4609 1 8 . 1 1 69 69 VAL C C 69 173.060 173.060 173.440 -0.380 18375 4610 1 8 . 1 1 69 69 VAL CA C 69 58.940 58.940 59.159 -0.219 18375 4611 1 8 . 1 1 69 69 VAL CB C 69 37.700 37.700 33.414 4.286 18375 4612 1 8 . 1 1 69 69 VAL H H 69 6.040 6.040 7.346 -1.306 18375 4613 1 8 . 1 1 70 70 ALA N N 70 120.820 120.820 127.307 -6.487 18375 4614 1 8 . 1 1 70 70 ALA HA H 70 4.510 4.510 4.430 0.080 18375 4615 1 8 . 1 1 70 70 ALA C C 70 173.870 173.870 175.353 -1.483 18375 4616 1 8 . 1 1 70 70 ALA CA C 70 51.560 51.560 50.460 1.100 18375 4617 1 8 . 1 1 70 70 ALA CB C 70 26.390 26.390 21.620 4.770 18375 4618 1 8 . 1 1 70 70 ALA H H 70 8.890 8.890 7.622 1.268 18375 4619 1 8 . 1 1 71 71 TYR N N 71 121.640 121.640 126.100 -4.460 18375 4620 1 8 . 1 1 71 71 TYR HA H 71 4.890 4.890 4.540 0.350 18375 4621 1 8 . 1 1 71 71 TYR C C 71 174.620 174.620 174.311 0.309 18375 4622 1 8 . 1 1 71 71 TYR CA C 71 58.140 58.140 58.422 -0.282 18375 4623 1 8 . 1 1 71 71 TYR CB C 71 42.850 42.850 39.231 3.619 18375 4624 1 8 . 1 1 71 71 TYR H H 71 9.310 9.310 8.427 0.883 18375 4625 1 8 . 1 1 72 72 VAL N N 72 126.010 126.010 129.034 -3.024 18375 4626 1 8 . 1 1 72 72 VAL HA H 72 3.880 3.880 3.800 0.080 18375 4627 1 8 . 1 1 72 72 VAL C C 72 174.250 174.250 175.631 -1.381 18375 4628 1 8 . 1 1 72 72 VAL CA C 72 64.970 64.970 62.804 2.166 18375 4629 1 8 . 1 1 72 72 VAL CB C 72 31.470 31.470 31.536 -0.066 18375 4630 1 8 . 1 1 72 72 VAL H H 72 8.230 8.230 8.591 -0.361 18375 4631 1 8 . 1 1 73 73 GLU N N 73 112.690 112.690 128.060 -15.370 18375 4632 1 8 . 1 1 73 73 GLU HA H 73 4.250 4.250 4.214 0.036 18375 4633 1 8 . 1 1 73 73 GLU C C 73 178.020 178.020 176.458 1.562 18375 4634 1 8 . 1 1 73 73 GLU CA C 73 58.400 58.400 58.547 -0.147 18375 4635 1 8 . 1 1 73 73 GLU CB C 73 31.050 31.050 30.695 0.355 18375 4636 1 8 . 1 1 73 73 GLU H H 73 8.820 8.820 8.241 0.579 18375 4637 1 8 . 1 1 74 74 SER N N 74 125.880 125.880 111.244 14.636 18375 4638 1 8 . 1 1 74 74 SER HA H 74 4.330 4.330 4.696 -0.366 18375 4639 1 8 . 1 1 74 74 SER C C 74 172.030 172.030 172.028 0.002 18375 4640 1 8 . 1 1 74 74 SER CA C 74 59.220 59.220 57.923 1.297 18375 4641 1 8 . 1 1 74 74 SER CB C 74 65.620 65.620 66.412 -0.792 18375 4642 1 8 . 1 1 74 74 SER H H 74 7.900 7.900 7.679 0.221 18375 4643 1 8 . 1 1 75 75 VAL N N 75 122.760 122.760 122.753 0.007 18375 4644 1 8 . 1 1 75 75 VAL HA H 75 4.320 4.320 4.143 0.177 18375 4645 1 8 . 1 1 75 75 VAL C C 75 176.270 176.270 175.113 1.157 18375 4646 1 8 . 1 1 75 75 VAL CA C 75 63.380 63.380 60.807 2.573 18375 4647 1 8 . 1 1 75 75 VAL CB C 75 32.750 32.750 33.058 -0.308 18375 4648 1 8 . 1 1 75 75 VAL H H 75 8.400 8.400 8.495 -0.095 18375 4649 1 8 . 1 1 76 76 ASN N N 76 125.270 125.270 127.257 -1.987 18375 4650 1 8 . 1 1 76 76 ASN HA H 76 4.790 4.790 4.826 -0.036 18375 4651 1 8 . 1 1 76 76 ASN CA C 76 54.260 54.260 53.088 1.172 18375 4652 1 8 . 1 1 76 76 ASN CB C 76 39.960 39.960 39.294 0.666 18375 4653 1 8 . 1 1 76 76 ASN H H 76 9.080 9.080 8.886 0.194 18375 4654 1 8 . 1 1 77 77 SER HA H 77 4.130 4.130 4.371 -0.241 18375 4655 1 8 . 1 1 77 77 SER C C 77 174.410 174.410 174.870 -0.460 18375 4656 1 8 . 1 1 77 77 SER CA C 77 62.670 62.670 60.328 2.342 18375 4657 1 8 . 1 1 77 77 SER CB C 77 63.600 63.600 62.940 0.660 18375 4658 1 8 . 1 1 78 78 ASP N N 78 118.590 118.590 120.006 -1.416 18375 4659 1 8 . 1 1 78 78 ASP HA H 78 4.580 4.580 4.607 -0.027 18375 4660 1 8 . 1 1 78 78 ASP C C 78 176.790 176.790 176.830 -0.040 18375 4661 1 8 . 1 1 78 78 ASP CA C 78 53.960 53.960 54.484 -0.524 18375 4662 1 8 . 1 1 78 78 ASP CB C 78 40.880 40.880 40.657 0.223 18375 4663 1 8 . 1 1 78 78 ASP H H 78 7.980 7.980 8.285 -0.305 18375 4664 1 8 . 1 1 79 79 GLY N N 79 109.220 109.220 105.375 3.845 18375 4665 1 8 . 1 1 79 79 GLY C C 79 173.470 173.470 172.369 1.101 18375 4666 1 8 . 1 1 79 79 GLY CA C 79 46.050 46.050 44.926 1.124 18375 4667 1 8 . 1 1 79 79 GLY H H 79 8.180 8.180 7.885 0.295 18375 4668 1 8 . 1 1 80 80 SER N N 80 114.200 114.200 115.122 -0.922 18375 4669 1 8 . 1 1 80 80 SER HA H 80 4.350 4.350 5.248 -0.898 18375 4670 1 8 . 1 1 80 80 SER C C 80 172.630 172.630 173.587 -0.957 18375 4671 1 8 . 1 1 80 80 SER CA C 80 59.580 59.580 56.397 3.183 18375 4672 1 8 . 1 1 80 80 SER CB C 80 65.710 65.710 66.334 -0.624 18375 4673 1 8 . 1 1 80 80 SER H H 80 7.930 7.930 7.458 0.472 18375 4674 1 8 . 1 1 81 81 VAL N N 81 118.060 118.060 122.281 -4.221 18375 4675 1 8 . 1 1 81 81 VAL HA H 81 4.690 4.690 4.290 0.400 18375 4676 1 8 . 1 1 81 81 VAL C C 81 175.220 175.220 175.476 -0.256 18375 4677 1 8 . 1 1 81 81 VAL CA C 81 61.980 61.980 61.739 0.241 18375 4678 1 8 . 1 1 81 81 VAL CB C 81 36.810 36.810 33.534 3.276 18375 4679 1 8 . 1 1 81 81 VAL H H 81 8.820 8.820 9.094 -0.274 18375 4680 1 8 . 1 1 82 82 THR N N 82 125.170 125.170 124.357 0.813 18375 4681 1 8 . 1 1 82 82 THR HA H 82 5.190 5.190 4.828 0.362 18375 4682 1 8 . 1 1 82 82 THR C C 82 174.150 174.150 174.084 0.066 18375 4683 1 8 . 1 1 82 82 THR CA C 82 63.440 63.440 62.588 0.852 18375 4684 1 8 . 1 1 82 82 THR CB C 82 70.520 70.520 68.614 1.906 18375 4685 1 8 . 1 1 82 82 THR H H 82 9.020 9.020 8.747 0.273 18375 4686 1 8 . 1 1 83 83 ILE N N 83 120.970 120.970 122.755 -1.785 18375 4687 1 8 . 1 1 83 83 ILE HA H 83 5.640 5.640 4.837 0.803 18375 4688 1 8 . 1 1 83 83 ILE C C 83 175.030 175.030 173.829 1.201 18375 4689 1 8 . 1 1 83 83 ILE CA C 83 59.440 59.440 58.983 0.457 18375 4690 1 8 . 1 1 83 83 ILE CB C 83 42.170 42.170 40.853 1.317 18375 4691 1 8 . 1 1 83 83 ILE H H 83 9.280 9.280 8.391 0.889 18375 4692 1 8 . 1 1 84 84 SER N N 84 115.430 115.430 117.950 -2.520 18375 4693 1 8 . 1 1 84 84 SER HA H 84 5.590 5.590 5.416 0.174 18375 4694 1 8 . 1 1 84 84 SER C C 84 173.130 173.130 173.111 0.019 18375 4695 1 8 . 1 1 84 84 SER CA C 84 58.050 58.050 56.316 1.734 18375 4696 1 8 . 1 1 84 84 SER CB C 84 67.140 67.140 64.791 2.349 18375 4697 1 8 . 1 1 84 84 SER H H 84 9.600 9.600 9.083 0.517 18375 4698 1 8 . 1 1 85 85 GLU N N 85 117.660 117.660 125.953 -8.293 18375 4699 1 8 . 1 1 85 85 GLU HA H 85 5.180 5.180 4.745 0.435 18375 4700 1 8 . 1 1 85 85 GLU C C 85 171.780 171.780 174.458 -2.678 18375 4701 1 8 . 1 1 85 85 GLU CA C 85 54.880 54.880 54.402 0.478 18375 4702 1 8 . 1 1 85 85 GLU CB C 85 33.540 33.540 32.723 0.817 18375 4703 1 8 . 1 1 85 85 GLU H H 85 8.800 8.800 8.781 0.019 18375 4704 1 8 . 1 1 86 86 MET N N 86 118.950 118.950 128.242 -9.292 18375 4705 1 8 . 1 1 86 86 MET HA H 86 5.250 5.250 4.387 0.863 18375 4706 1 8 . 1 1 86 86 MET C C 86 175.010 175.010 176.162 -1.152 18375 4707 1 8 . 1 1 86 86 MET CA C 86 53.880 53.880 56.453 -2.573 18375 4708 1 8 . 1 1 86 86 MET CB C 86 38.240 38.240 32.528 5.712 18375 4709 1 8 . 1 1 86 86 MET H H 86 8.490 8.490 8.716 -0.226 18375 4710 1 8 . 1 1 87 87 ASN N N 87 116.670 116.670 126.883 -10.213 18375 4711 1 8 . 1 1 87 87 ASN HA H 87 4.190 4.190 4.351 -0.161 18375 4712 1 8 . 1 1 87 87 ASN C C 87 174.810 174.810 174.909 -0.099 18375 4713 1 8 . 1 1 87 87 ASN CA C 87 54.520 54.520 56.049 -1.529 18375 4714 1 8 . 1 1 87 87 ASN CB C 87 39.330 39.330 37.456 1.874 18375 4715 1 8 . 1 1 87 87 ASN H H 87 8.250 8.250 9.244 -0.994 18375 4716 1 8 . 1 1 88 88 TYR N N 88 119.600 119.600 122.266 -2.666 18375 4717 1 8 . 1 1 88 88 TYR HA H 88 4.290 4.290 4.137 0.153 18375 4718 1 8 . 1 1 88 88 TYR C C 88 175.620 175.620 175.046 0.574 18375 4719 1 8 . 1 1 88 88 TYR CA C 88 60.720 60.720 58.656 2.064 18375 4720 1 8 . 1 1 88 88 TYR CB C 88 41.430 41.430 36.738 4.692 18375 4721 1 8 . 1 1 88 88 TYR H H 88 8.940 8.940 8.266 0.674 18375 4722 1 8 . 1 1 89 89 SER N N 89 113.120 113.120 113.864 -0.744 18375 4723 1 8 . 1 1 89 89 SER HA H 89 4.320 4.320 3.963 0.357 18375 4724 1 8 . 1 1 89 89 SER C C 89 174.860 174.860 173.349 1.511 18375 4725 1 8 . 1 1 89 89 SER CA C 89 58.690 58.690 59.103 -0.413 18375 4726 1 8 . 1 1 89 89 SER CB C 89 65.140 65.140 62.229 2.911 18375 4727 1 8 . 1 1 89 89 SER H H 89 8.060 8.060 8.511 -0.451 18375 4728 1 8 . 1 1 90 90 GLY N N 90 110.450 110.450 108.493 1.957 18375 4729 1 8 . 1 1 90 90 GLY C C 90 174.680 174.680 173.129 1.551 18375 4730 1 8 . 1 1 90 90 GLY CA C 90 45.950 45.950 45.291 0.659 18375 4731 1 8 . 1 1 90 90 GLY H H 90 8.180 8.180 8.476 -0.296 18375 4732 1 8 . 1 1 91 91 GLY N N 91 108.710 108.710 110.182 -1.472 18375 4733 1 8 . 1 1 91 91 GLY CA C 91 45.880 45.880 42.867 3.013 18375 4734 1 8 . 1 1 91 91 GLY H H 91 8.330 8.330 8.209 0.121 18375 4735 1 8 . 1 1 92 92 PRO HA H 92 4.040 4.040 4.277 -0.237 18375 4736 1 8 . 1 1 92 92 PRO C C 92 177.930 177.930 176.258 1.672 18375 4737 1 8 . 1 1 92 92 PRO CA C 92 64.710 64.710 63.789 0.921 18375 4738 1 8 . 1 1 92 92 PRO CB C 92 32.690 32.690 32.005 0.685 18375 4739 1 8 . 1 1 93 93 PHE N N 93 113.220 113.220 116.347 -3.127 18375 4740 1 8 . 1 1 93 93 PHE HA H 93 4.480 4.480 4.187 0.293 18375 4741 1 8 . 1 1 93 93 PHE C C 93 174.490 174.490 175.783 -1.293 18375 4742 1 8 . 1 1 93 93 PHE CA C 93 62.890 62.890 58.726 4.164 18375 4743 1 8 . 1 1 93 93 PHE CB C 93 37.410 37.410 37.023 0.387 18375 4744 1 8 . 1 1 93 93 PHE H H 93 8.350 8.350 8.077 0.273 18375 4745 1 8 . 1 1 94 94 SER N N 94 115.680 115.680 116.242 -0.562 18375 4746 1 8 . 1 1 94 94 SER HA H 94 4.620 4.620 4.497 0.123 18375 4747 1 8 . 1 1 94 94 SER C C 94 174.290 174.290 174.805 -0.515 18375 4748 1 8 . 1 1 94 94 SER CA C 94 59.150 59.150 57.840 1.310 18375 4749 1 8 . 1 1 94 94 SER CB C 94 64.690 64.690 62.596 2.095 18375 4750 1 8 . 1 1 94 94 SER H H 94 7.980 7.980 8.151 -0.171 18375 4751 1 8 . 1 1 95 95 VAL N N 95 112.520 112.520 126.659 -14.139 18375 4752 1 8 . 1 1 95 95 VAL HA H 95 4.830 4.830 3.877 0.953 18375 4753 1 8 . 1 1 95 95 VAL C C 95 175.770 175.770 174.805 0.965 18375 4754 1 8 . 1 1 95 95 VAL CA C 95 62.520 62.520 62.056 0.465 18375 4755 1 8 . 1 1 95 95 VAL CB C 95 34.010 34.010 31.527 2.483 18375 4756 1 8 . 1 1 95 95 VAL H H 95 8.840 8.840 8.224 0.616 18375 4757 1 8 . 1 1 96 96 SER N N 96 122.260 122.260 125.847 -3.587 18375 4758 1 8 . 1 1 96 96 SER HA H 96 4.810 4.810 4.724 0.086 18375 4759 1 8 . 1 1 96 96 SER C C 96 172.250 172.250 172.941 -0.691 18375 4760 1 8 . 1 1 96 96 SER CA C 96 58.080 58.080 58.026 0.054 18375 4761 1 8 . 1 1 96 96 SER CB C 96 66.590 66.590 64.946 1.644 18375 4762 1 8 . 1 1 96 96 SER H H 96 9.190 9.190 8.874 0.316 18375 4763 1 8 . 1 1 97 97 SER N N 97 112.810 112.810 116.583 -3.773 18375 4764 1 8 . 1 1 97 97 SER HA H 97 5.620 5.620 5.227 0.393 18375 4765 1 8 . 1 1 97 97 SER C C 97 174.130 174.130 174.125 0.005 18375 4766 1 8 . 1 1 97 97 SER CA C 97 57.260 57.260 57.241 0.019 18375 4767 1 8 . 1 1 97 97 SER CB C 97 66.740 66.740 64.548 2.192 18375 4768 1 8 . 1 1 97 97 SER H H 97 8.290 8.290 8.445 -0.155 18375 4769 1 8 . 1 1 98 98 ARG N N 98 122.640 122.640 126.407 -3.767 18375 4770 1 8 . 1 1 98 98 ARG HA H 98 4.650 4.650 4.626 0.024 18375 4771 1 8 . 1 1 98 98 ARG C C 98 174.030 174.030 174.716 -0.686 18375 4772 1 8 . 1 1 98 98 ARG CA C 98 56.640 56.640 55.019 1.621 18375 4773 1 8 . 1 1 98 98 ARG CB C 98 36.240 36.240 32.727 3.513 18375 4774 1 8 . 1 1 98 98 ARG H H 98 8.380 8.380 7.901 0.479 18375 4775 1 8 . 1 1 99 99 THR N N 99 118.220 118.220 120.357 -2.137 18375 4776 1 8 . 1 1 99 99 THR HA H 99 5.280 5.280 5.171 0.109 18375 4777 1 8 . 1 1 99 99 THR C C 99 173.930 173.930 174.167 -0.237 18375 4778 1 8 . 1 1 99 99 THR CA C 99 62.820 62.820 61.940 0.880 18375 4779 1 8 . 1 1 99 99 THR CB C 99 71.360 71.360 69.423 1.937 18375 4780 1 8 . 1 1 99 99 THR H H 99 8.650 8.650 8.487 0.163 18375 4781 1 8 . 1 1 100 100 ILE N N 100 112.130 112.130 129.489 -17.359 18375 4782 1 8 . 1 1 100 100 ILE HA H 100 4.290 4.290 4.235 0.055 18375 4783 1 8 . 1 1 100 100 ILE C C 100 175.190 175.190 175.542 -0.352 18375 4784 1 8 . 1 1 100 100 ILE CA C 100 60.340 60.340 60.637 -0.297 18375 4785 1 8 . 1 1 100 100 ILE CB C 100 40.390 40.390 37.956 2.434 18375 4786 1 8 . 1 1 100 100 ILE H H 100 9.560 9.560 8.996 0.564 18375 4787 1 8 . 1 1 101 101 SER N N 101 121.940 121.940 123.654 -1.714 18375 4788 1 8 . 1 1 101 101 SER HA H 101 4.120 4.120 4.427 -0.307 18375 4789 1 8 . 1 1 101 101 SER C C 101 174.230 174.230 175.583 -1.353 18375 4790 1 8 . 1 1 101 101 SER CA C 101 59.450 59.450 59.095 0.355 18375 4791 1 8 . 1 1 101 101 SER CB C 101 65.410 65.410 64.063 1.347 18375 4792 1 8 . 1 1 101 101 SER H H 101 8.860 8.860 8.347 0.513 18375 4793 1 8 . 1 1 102 102 ALA N N 102 123.870 123.870 127.644 -3.774 18375 4794 1 8 . 1 1 102 102 ALA HA H 102 3.910 3.910 3.949 -0.039 18375 4795 1 8 . 1 1 102 102 ALA C C 102 170.440 170.440 179.993 -9.553 18375 4796 1 8 . 1 1 102 102 ALA CA C 102 56.360 56.360 55.583 0.777 18375 4797 1 8 . 1 1 102 102 ALA CB C 102 19.430 19.430 18.748 0.682 18375 4798 1 8 . 1 1 102 102 ALA H H 102 8.860 8.860 8.805 0.055 18375 4799 1 8 . 1 1 103 103 SER N N 103 109.980 109.980 111.858 -1.878 18375 4800 1 8 . 1 1 103 103 SER HA H 103 4.200 4.200 4.176 0.024 18375 4801 1 8 . 1 1 103 103 SER C C 103 176.050 176.050 175.941 0.109 18375 4802 1 8 . 1 1 103 103 SER CA C 103 61.680 61.680 61.022 0.658 18375 4803 1 8 . 1 1 103 103 SER CB C 103 63.640 63.640 63.124 0.516 18375 4804 1 8 . 1 1 103 103 SER H H 103 8.180 8.180 8.316 -0.136 18375 4805 1 8 . 1 1 104 104 GLU N N 104 121.250 121.250 119.355 1.895 18375 4806 1 8 . 1 1 104 104 GLU HA H 104 4.260 4.260 4.180 0.080 18375 4807 1 8 . 1 1 104 104 GLU C C 104 178.240 178.240 178.255 -0.015 18375 4808 1 8 . 1 1 104 104 GLU CA C 104 57.960 57.960 57.829 0.131 18375 4809 1 8 . 1 1 104 104 GLU CB C 104 32.210 32.210 29.781 2.429 18375 4810 1 8 . 1 1 104 104 GLU H H 104 7.560 7.560 7.639 -0.079 18375 4811 1 8 . 1 1 105 105 ALA N N 105 121.520 121.520 123.300 -1.780 18375 4812 1 8 . 1 1 105 105 ALA HA H 105 4.060 4.060 4.373 -0.313 18375 4813 1 8 . 1 1 105 105 ALA C C 105 170.230 170.230 179.281 -9.051 18375 4814 1 8 . 1 1 105 105 ALA CA C 105 57.080 57.080 54.670 2.410 18375 4815 1 8 . 1 1 105 105 ALA CB C 105 19.320 19.320 18.492 0.828 18375 4816 1 8 . 1 1 105 105 ALA H H 105 8.280 8.280 8.293 -0.013 18375 4817 1 8 . 1 1 106 106 GLY N N 106 121.950 121.950 103.962 17.988 18375 4818 1 8 . 1 1 106 106 GLY C C 106 174.110 174.110 173.930 0.180 18375 4819 1 8 . 1 1 106 106 GLY CA C 106 46.780 46.780 45.317 1.463 18375 4820 1 8 . 1 1 106 106 GLY H H 106 8.360 8.360 8.121 0.239 18375 4821 1 8 . 1 1 107 107 ASN N N 107 117.130 117.130 118.507 -1.377 18375 4822 1 8 . 1 1 107 107 ASN HA H 107 4.480 4.480 4.646 -0.166 18375 4823 1 8 . 1 1 107 107 ASN C C 107 175.110 175.110 174.167 0.943 18375 4824 1 8 . 1 1 107 107 ASN CA C 107 54.220 54.220 52.756 1.464 18375 4825 1 8 . 1 1 107 107 ASN CB C 107 38.890 38.890 40.031 -1.141 18375 4826 1 8 . 1 1 107 107 ASN H H 107 7.830 7.830 7.569 0.261 18375 4827 1 8 . 1 1 108 108 TYR N N 108 117.300 117.300 118.957 -1.657 18375 4828 1 8 . 1 1 108 108 TYR HA H 108 4.620 4.620 4.850 -0.230 18375 4829 1 8 . 1 1 108 108 TYR C C 108 174.810 174.810 175.305 -0.495 18375 4830 1 8 . 1 1 108 108 TYR CA C 108 58.700 58.700 57.279 1.421 18375 4831 1 8 . 1 1 108 108 TYR CB C 108 41.260 41.260 39.726 1.534 18375 4832 1 8 . 1 1 108 108 TYR H H 108 7.020 7.020 7.291 -0.271 18375 4833 1 8 . 1 1 109 109 ASN N N 109 117.260 117.260 121.411 -4.151 18375 4834 1 8 . 1 1 109 109 ASN HA H 109 5.020 5.020 4.965 0.055 18375 4835 1 8 . 1 1 109 109 ASN C C 109 173.590 173.590 174.004 -0.414 18375 4836 1 8 . 1 1 109 109 ASN CA C 109 53.140 53.140 52.956 0.184 18375 4837 1 8 . 1 1 109 109 ASN CB C 109 41.590 41.590 39.542 2.048 18375 4838 1 8 . 1 1 109 109 ASN H H 109 7.910 7.910 8.703 -0.793 18375 4839 1 8 . 1 1 110 110 TYR N N 110 117.410 117.410 126.415 -9.005 18375 4840 1 8 . 1 1 110 110 TYR HA H 110 5.300 5.300 4.961 0.339 18375 4841 1 8 . 1 1 110 110 TYR C C 110 174.450 174.450 175.400 -0.950 18375 4842 1 8 . 1 1 110 110 TYR CA C 110 57.740 57.740 56.641 1.099 18375 4843 1 8 . 1 1 110 110 TYR CB C 110 41.580 41.580 39.685 1.895 18375 4844 1 8 . 1 1 110 110 TYR H H 110 9.340 9.340 8.460 0.880 18375 4845 1 8 . 1 1 111 111 ILE N N 111 123.080 123.080 125.307 -2.227 18375 4846 1 8 . 1 1 111 111 ILE HA H 111 4.360 4.360 4.758 -0.398 18375 4847 1 8 . 1 1 111 111 ILE C C 111 175.250 175.250 175.216 0.034 18375 4848 1 8 . 1 1 111 111 ILE CA C 111 61.530 61.530 60.259 1.271 18375 4849 1 8 . 1 1 111 111 ILE CB C 111 40.560 40.560 38.195 2.365 18375 4850 1 8 . 1 1 111 111 ILE H H 111 9.320 9.320 8.512 0.808 18375 4851 1 8 . 1 1 112 112 HIS N N 112 109.020 109.020 126.514 -17.494 18375 4852 1 8 . 1 1 112 112 HIS HA H 112 4.560 4.560 4.675 -0.115 18375 4853 1 8 . 1 1 112 112 HIS C C 112 173.980 173.980 174.634 -0.654 18375 4854 1 8 . 1 1 112 112 HIS CA C 112 57.550 57.550 58.040 -0.490 18375 4855 1 8 . 1 1 112 112 HIS CB C 112 31.350 31.350 31.383 -0.033 18375 4856 1 8 . 1 1 112 112 HIS H H 112 8.710 8.710 9.127 -0.417 18375 4857 1 9 . 1 1 3 3 SER HA H 3 4.510 4.510 4.623 -0.113 18375 4858 1 9 . 1 1 3 3 SER C C 3 174.460 174.460 174.490 -0.030 18375 4859 1 9 . 1 1 3 3 SER CA C 3 59.400 59.400 59.035 0.365 18375 4860 1 9 . 1 1 3 3 SER CB C 3 64.820 64.820 64.314 0.506 18375 4861 1 9 . 1 1 4 4 ILE N N 4 121.890 121.890 124.402 -2.512 18375 4862 1 9 . 1 1 4 4 ILE HA H 4 4.210 4.210 4.003 0.207 18375 4863 1 9 . 1 1 4 4 ILE C C 4 176.040 176.040 175.645 0.395 18375 4864 1 9 . 1 1 4 4 ILE CA C 4 62.180 62.180 61.204 0.976 18375 4865 1 9 . 1 1 4 4 ILE CB C 4 39.930 39.930 35.356 4.574 18375 4866 1 9 . 1 1 4 4 ILE H H 4 8.180 8.180 8.192 -0.012 18375 4867 1 9 . 1 1 5 5 SER N N 5 119.230 119.230 121.574 -2.344 18375 4868 1 9 . 1 1 5 5 SER C C 5 174.290 174.290 175.546 -1.256 18375 4869 1 9 . 1 1 5 5 SER CA C 5 59.140 59.140 59.758 -0.618 18375 4870 1 9 . 1 1 5 5 SER CB C 5 64.930 64.930 64.728 0.202 18375 4871 1 9 . 1 1 5 5 SER H H 5 8.270 8.270 8.420 -0.150 18375 4872 1 9 . 1 1 6 6 HIS HA H 6 4.650 4.650 4.637 0.013 18375 4873 1 9 . 1 1 6 6 HIS CA C 6 57.240 57.240 56.672 0.568 18375 4874 1 9 . 1 1 6 6 HIS CB C 6 31.150 31.150 29.421 1.730 18375 4875 1 9 . 1 1 7 7 SER N N 7 117.260 117.260 115.797 1.463 18375 4876 1 9 . 1 1 7 7 SER HA H 7 4.430 4.430 4.371 0.059 18375 4877 1 9 . 1 1 7 7 SER C C 7 174.890 174.890 174.862 0.028 18375 4878 1 9 . 1 1 7 7 SER CA C 7 59.750 59.750 58.094 1.656 18375 4879 1 9 . 1 1 7 7 SER CB C 7 64.890 64.890 62.719 2.171 18375 4880 1 9 . 1 1 7 7 SER H H 7 8.360 8.360 8.126 0.234 18375 4881 1 9 . 1 1 8 8 GLY N N 8 110.140 110.140 109.868 0.272 18375 4882 1 9 . 1 1 8 8 GLY C C 8 173.340 173.340 174.600 -1.260 18375 4883 1 9 . 1 1 8 8 GLY CA C 8 45.920 45.920 45.039 0.881 18375 4884 1 9 . 1 1 8 8 GLY H H 8 8.500 8.500 7.679 0.821 18375 4885 1 9 . 1 1 9 9 ASN N N 9 118.840 118.840 122.100 -3.260 18375 4886 1 9 . 1 1 9 9 ASN HA H 9 3.430 3.430 4.896 -1.466 18375 4887 1 9 . 1 1 9 9 ASN C C 9 175.460 175.460 176.280 -0.820 18375 4888 1 9 . 1 1 9 9 ASN CA C 9 53.400 53.400 52.459 0.941 18375 4889 1 9 . 1 1 9 9 ASN CB C 9 38.780 38.780 39.823 -1.043 18375 4890 1 9 . 1 1 9 9 ASN H H 9 8.280 8.280 8.846 -0.566 18375 4891 1 9 . 1 1 10 10 LEU N N 10 125.560 125.560 119.455 6.105 18375 4892 1 9 . 1 1 10 10 LEU HA H 10 4.250 4.250 4.231 0.019 18375 4893 1 9 . 1 1 10 10 LEU C C 10 177.320 177.320 176.230 1.090 18375 4894 1 9 . 1 1 10 10 LEU CA C 10 55.080 55.080 55.163 -0.083 18375 4895 1 9 . 1 1 10 10 LEU CB C 10 42.110 42.110 41.276 0.834 18375 4896 1 9 . 1 1 10 10 LEU H H 10 6.850 6.850 8.389 -1.539 18375 4897 1 9 . 1 1 11 11 TYR N N 11 120.920 120.920 116.723 4.197 18375 4898 1 9 . 1 1 11 11 TYR HA H 11 4.350 4.350 4.677 -0.327 18375 4899 1 9 . 1 1 11 11 TYR C C 11 174.800 174.800 176.158 -1.358 18375 4900 1 9 . 1 1 11 11 TYR CA C 11 60.200 60.200 57.107 3.093 18375 4901 1 9 . 1 1 11 11 TYR CB C 11 38.520 38.520 41.234 -2.714 18375 4902 1 9 . 1 1 11 11 TYR H H 11 7.680 7.680 7.660 0.020 18375 4903 1 9 . 1 1 12 12 THR N N 12 118.320 118.320 115.933 2.387 18375 4904 1 9 . 1 1 12 12 THR HA H 12 3.680 3.680 4.385 -0.705 18375 4905 1 9 . 1 1 12 12 THR C C 12 173.180 173.180 173.213 -0.033 18375 4906 1 9 . 1 1 12 12 THR CA C 12 65.310 65.310 62.114 3.196 18375 4907 1 9 . 1 1 12 12 THR CB C 12 70.080 70.080 69.527 0.553 18375 4908 1 9 . 1 1 12 12 THR H H 12 8.320 8.320 8.624 -0.304 18375 4909 1 9 . 1 1 13 13 ALA N N 13 111.540 111.540 123.472 -11.932 18375 4910 1 9 . 1 1 13 13 ALA HA H 13 3.690 3.690 3.667 0.023 18375 4911 1 9 . 1 1 13 13 ALA CA C 13 53.700 53.700 50.828 2.872 18375 4912 1 9 . 1 1 13 13 ALA H H 13 8.150 8.150 7.922 0.228 18375 4913 1 9 . 1 1 14 14 GLY N N 14 109.410 109.410 110.772 -1.362 18375 4914 1 9 . 1 1 14 14 GLY C C 14 173.310 173.310 173.620 -0.310 18375 4915 1 9 . 1 1 14 14 GLY CA C 14 44.150 44.150 43.896 0.254 18375 4916 1 9 . 1 1 14 14 GLY H H 14 4.990 4.990 6.736 -1.746 18375 4917 1 9 . 1 1 15 15 GLN N N 15 115.720 115.720 118.506 -2.786 18375 4918 1 9 . 1 1 15 15 GLN HA H 15 4.410 4.410 4.684 -0.274 18375 4919 1 9 . 1 1 15 15 GLN C C 15 176.310 176.310 177.061 -0.751 18375 4920 1 9 . 1 1 15 15 GLN CA C 15 55.570 55.570 53.980 1.590 18375 4921 1 9 . 1 1 15 15 GLN CB C 15 31.180 31.180 32.002 -0.822 18375 4922 1 9 . 1 1 15 15 GLN H H 15 7.170 7.170 7.839 -0.669 18375 4923 1 9 . 1 1 16 16 CYS N N 16 118.020 118.020 119.443 -1.423 18375 4924 1 9 . 1 1 16 16 CYS HA H 16 4.590 4.590 4.485 0.105 18375 4925 1 9 . 1 1 16 16 CYS C C 16 176.730 176.730 176.756 -0.026 18375 4926 1 9 . 1 1 16 16 CYS CA C 16 61.050 61.050 61.786 -0.736 18375 4927 1 9 . 1 1 16 16 CYS CB C 16 28.600 28.600 28.229 0.371 18375 4928 1 9 . 1 1 16 16 CYS H H 16 9.300 9.300 9.298 0.002 18375 4929 1 9 . 1 1 17 17 THR N N 17 113.910 113.910 112.720 1.190 18375 4930 1 9 . 1 1 17 17 THR HA H 17 3.180 3.180 4.238 -1.058 18375 4931 1 9 . 1 1 17 17 THR C C 17 174.260 174.260 175.760 -1.500 18375 4932 1 9 . 1 1 17 17 THR CA C 17 62.800 62.800 64.863 -2.063 18375 4933 1 9 . 1 1 17 17 THR CB C 17 69.000 69.000 68.373 0.627 18375 4934 1 9 . 1 1 17 17 THR H H 17 7.300 7.300 8.386 -1.086 18375 4935 1 9 . 1 1 18 18 TRP N N 18 123.650 123.650 124.685 -1.035 18375 4936 1 9 . 1 1 18 18 TRP HA H 18 4.380 4.380 4.264 0.116 18375 4937 1 9 . 1 1 18 18 TRP C C 18 177.910 177.910 177.341 0.569 18375 4938 1 9 . 1 1 18 18 TRP CA C 18 61.600 61.600 60.755 0.845 18375 4939 1 9 . 1 1 18 18 TRP CB C 18 31.320 31.320 29.212 2.108 18375 4940 1 9 . 1 1 18 18 TRP H H 18 6.640 6.640 7.244 -0.604 18375 4941 1 9 . 1 1 19 19 TYR N N 19 115.660 115.660 120.057 -4.397 18375 4942 1 9 . 1 1 19 19 TYR HA H 19 4.120 4.120 3.674 0.446 18375 4943 1 9 . 1 1 19 19 TYR C C 19 177.170 177.170 177.483 -0.313 18375 4944 1 9 . 1 1 19 19 TYR CA C 19 61.370 61.370 62.122 -0.752 18375 4945 1 9 . 1 1 19 19 TYR CB C 19 42.110 42.110 38.631 3.479 18375 4946 1 9 . 1 1 19 19 TYR H H 19 7.680 7.680 8.663 -0.983 18375 4947 1 9 . 1 1 20 20 VAL N N 20 116.740 116.740 119.083 -2.343 18375 4948 1 9 . 1 1 20 20 VAL HA H 20 3.030 3.030 3.552 -0.522 18375 4949 1 9 . 1 1 20 20 VAL C C 20 176.410 176.410 178.036 -1.626 18375 4950 1 9 . 1 1 20 20 VAL CA C 20 68.360 68.360 67.093 1.267 18375 4951 1 9 . 1 1 20 20 VAL CB C 20 32.210 32.210 31.331 0.879 18375 4952 1 9 . 1 1 20 20 VAL H H 20 7.450 7.450 7.676 -0.226 18375 4953 1 9 . 1 1 21 21 TYR N N 21 118.550 118.550 121.169 -2.619 18375 4954 1 9 . 1 1 21 21 TYR HA H 21 3.560 3.560 4.286 -0.726 18375 4955 1 9 . 1 1 21 21 TYR C C 21 176.490 176.490 177.442 -0.952 18375 4956 1 9 . 1 1 21 21 TYR CA C 21 63.990 63.990 61.259 2.731 18375 4957 1 9 . 1 1 21 21 TYR CB C 21 38.970 38.970 38.419 0.552 18375 4958 1 9 . 1 1 21 21 TYR H H 21 8.370 8.370 8.422 -0.052 18375 4959 1 9 . 1 1 22 22 ASP N N 22 115.760 115.760 118.007 -2.247 18375 4960 1 9 . 1 1 22 22 ASP HA H 22 4.260 4.260 4.041 0.219 18375 4961 1 9 . 1 1 22 22 ASP C C 22 169.690 169.690 178.754 -9.064 18375 4962 1 9 . 1 1 22 22 ASP CA C 22 58.010 58.010 56.577 1.433 18375 4963 1 9 . 1 1 22 22 ASP CB C 22 41.770 41.770 40.534 1.236 18375 4964 1 9 . 1 1 22 22 ASP H H 22 6.880 6.880 8.059 -1.179 18375 4965 1 9 . 1 1 23 23 LYS N N 23 121.790 121.790 117.877 3.913 18375 4966 1 9 . 1 1 23 23 LYS HA H 23 3.610 3.610 3.785 -0.175 18375 4967 1 9 . 1 1 23 23 LYS C C 23 178.360 178.360 178.173 0.187 18375 4968 1 9 . 1 1 23 23 LYS CA C 23 57.990 57.990 57.288 0.702 18375 4969 1 9 . 1 1 23 23 LYS CB C 23 31.350 31.350 31.584 -0.234 18375 4970 1 9 . 1 1 23 23 LYS H H 23 7.820 7.820 7.659 0.161 18375 4971 1 9 . 1 1 24 24 VAL N N 24 108.790 108.790 111.608 -2.818 18375 4972 1 9 . 1 1 24 24 VAL HA H 24 4.390 4.390 4.228 0.162 18375 4973 1 9 . 1 1 24 24 VAL C C 24 176.840 176.840 176.123 0.717 18375 4974 1 9 . 1 1 24 24 VAL CA C 24 61.430 61.430 61.337 0.093 18375 4975 1 9 . 1 1 24 24 VAL CB C 24 31.690 31.690 31.283 0.407 18375 4976 1 9 . 1 1 24 24 VAL H H 24 7.590 7.590 7.434 0.156 18375 4977 1 9 . 1 1 25 25 GLY N N 25 110.620 110.620 109.014 1.606 18375 4978 1 9 . 1 1 25 25 GLY C C 25 175.510 175.510 175.053 0.457 18375 4979 1 9 . 1 1 25 25 GLY CA C 25 47.110 47.110 45.316 1.794 18375 4980 1 9 . 1 1 25 25 GLY H H 25 7.680 7.680 7.470 0.210 18375 4981 1 9 . 1 1 26 26 GLY N N 26 122.410 122.410 107.330 15.080 18375 4982 1 9 . 1 1 26 26 GLY C C 26 174.470 174.470 174.381 0.089 18375 4983 1 9 . 1 1 26 26 GLY CA C 26 46.440 46.440 44.556 1.884 18375 4984 1 9 . 1 1 26 26 GLY H H 26 7.870 7.870 7.825 0.045 18375 4985 1 9 . 1 1 27 27 GLU N N 27 116.720 116.720 118.999 -2.279 18375 4986 1 9 . 1 1 27 27 GLU HA H 27 4.150 4.150 4.308 -0.158 18375 4987 1 9 . 1 1 27 27 GLU C C 27 175.810 175.810 175.689 0.121 18375 4988 1 9 . 1 1 27 27 GLU CA C 27 58.110 58.110 56.727 1.383 18375 4989 1 9 . 1 1 27 27 GLU CB C 27 30.500 30.500 30.536 -0.036 18375 4990 1 9 . 1 1 27 27 GLU H H 27 6.650 6.650 7.504 -0.854 18375 4991 1 9 . 1 1 28 28 ILE N N 28 125.210 125.210 118.325 6.885 18375 4992 1 9 . 1 1 28 28 ILE HA H 28 4.040 4.040 4.330 -0.290 18375 4993 1 9 . 1 1 28 28 ILE CA C 28 60.160 60.160 60.428 -0.268 18375 4994 1 9 . 1 1 28 28 ILE CB C 28 40.940 40.940 39.020 1.920 18375 4995 1 9 . 1 1 28 28 ILE H H 28 6.330 6.330 7.351 -1.021 18375 4996 1 9 . 1 1 29 29 GLY C C 29 174.050 174.050 174.563 -0.513 18375 4997 1 9 . 1 1 29 29 GLY CA C 29 46.190 46.190 45.047 1.143 18375 4998 1 9 . 1 1 30 30 SER N N 30 115.530 115.530 114.313 1.217 18375 4999 1 9 . 1 1 30 30 SER HA H 30 4.140 4.140 3.810 0.330 18375 5000 1 9 . 1 1 30 30 SER C C 30 174.000 174.000 174.336 -0.336 18375 5001 1 9 . 1 1 30 30 SER CA C 30 60.180 60.180 59.721 0.459 18375 5002 1 9 . 1 1 30 30 SER CB C 30 65.150 65.150 63.443 1.707 18375 5003 1 9 . 1 1 30 30 SER H H 30 8.540 8.540 8.460 0.080 18375 5004 1 9 . 1 1 31 31 THR N N 31 124.440 124.440 115.062 9.378 18375 5005 1 9 . 1 1 31 31 THR HA H 31 4.460 4.460 4.543 -0.083 18375 5006 1 9 . 1 1 31 31 THR C C 31 175.390 175.390 173.876 1.514 18375 5007 1 9 . 1 1 31 31 THR CA C 31 61.350 61.350 61.174 0.176 18375 5008 1 9 . 1 1 31 31 THR CB C 31 69.190 69.190 69.092 0.098 18375 5009 1 9 . 1 1 31 31 THR H H 31 7.070 7.070 7.602 -0.532 18375 5010 1 9 . 1 1 32 32 TRP N N 32 121.120 121.120 121.596 -0.476 18375 5011 1 9 . 1 1 32 32 TRP HA H 32 4.470 4.470 4.528 -0.058 18375 5012 1 9 . 1 1 32 32 TRP C C 32 175.720 175.720 176.520 -0.800 18375 5013 1 9 . 1 1 32 32 TRP CA C 32 57.500 57.500 55.354 2.146 18375 5014 1 9 . 1 1 32 32 TRP CB C 32 28.670 28.670 28.092 0.578 18375 5015 1 9 . 1 1 32 32 TRP H H 32 7.750 7.750 7.370 0.380 18375 5016 1 9 . 1 1 33 33 GLY N N 33 125.330 125.330 110.464 14.866 18375 5017 1 9 . 1 1 33 33 GLY C C 33 175.520 175.520 173.755 1.765 18375 5018 1 9 . 1 1 33 33 GLY CA C 33 46.390 46.390 45.497 0.893 18375 5019 1 9 . 1 1 33 33 GLY H H 33 8.580 8.580 8.237 0.343 18375 5020 1 9 . 1 1 34 34 ASN N N 34 118.870 118.870 120.635 -1.765 18375 5021 1 9 . 1 1 34 34 ASN HA H 34 4.720 4.720 5.368 -0.648 18375 5022 1 9 . 1 1 34 34 ASN C C 34 175.710 175.710 176.370 -0.660 18375 5023 1 9 . 1 1 34 34 ASN CA C 34 54.630 54.630 51.950 2.680 18375 5024 1 9 . 1 1 34 34 ASN CB C 34 40.050 40.050 41.487 -1.437 18375 5025 1 9 . 1 1 34 34 ASN H H 34 8.780 8.780 8.151 0.629 18375 5026 1 9 . 1 1 35 35 ALA N N 35 121.960 121.960 123.810 -1.850 18375 5027 1 9 . 1 1 35 35 ALA HA H 35 2.920 2.920 3.557 -0.637 18375 5028 1 9 . 1 1 35 35 ALA C C 35 169.710 169.710 179.113 -9.403 18375 5029 1 9 . 1 1 35 35 ALA CA C 35 55.950 55.950 54.749 1.201 18375 5030 1 9 . 1 1 35 35 ALA CB C 35 20.460 20.460 18.450 2.010 18375 5031 1 9 . 1 1 35 35 ALA H H 35 8.750 8.750 8.727 0.023 18375 5032 1 9 . 1 1 36 36 ASN N N 36 114.940 114.940 114.895 0.045 18375 5033 1 9 . 1 1 36 36 ASN HA H 36 4.170 4.170 4.527 -0.357 18375 5034 1 9 . 1 1 36 36 ASN C C 36 175.200 175.200 175.470 -0.270 18375 5035 1 9 . 1 1 36 36 ASN CA C 36 55.930 55.930 55.309 0.621 18375 5036 1 9 . 1 1 36 36 ASN CB C 36 36.690 36.690 38.327 -1.637 18375 5037 1 9 . 1 1 36 36 ASN H H 36 8.410 8.410 8.515 -0.105 18375 5038 1 9 . 1 1 37 37 ASN N N 37 120.180 120.180 116.848 3.332 18375 5039 1 9 . 1 1 37 37 ASN HA H 37 5.060 5.060 4.935 0.125 18375 5040 1 9 . 1 1 37 37 ASN C C 37 176.530 176.530 176.182 0.348 18375 5041 1 9 . 1 1 37 37 ASN CA C 37 54.250 54.250 51.894 2.356 18375 5042 1 9 . 1 1 37 37 ASN CB C 37 41.720 41.720 38.819 2.901 18375 5043 1 9 . 1 1 37 37 ASN H H 37 8.850 8.850 7.943 0.907 18375 5044 1 9 . 1 1 38 38 TRP N N 38 118.410 118.410 123.368 -4.958 18375 5045 1 9 . 1 1 38 38 TRP HA H 38 4.190 4.190 4.374 -0.184 18375 5046 1 9 . 1 1 38 38 TRP C C 38 177.390 177.390 178.182 -0.792 18375 5047 1 9 . 1 1 38 38 TRP CA C 38 63.450 63.450 62.748 0.702 18375 5048 1 9 . 1 1 38 38 TRP CB C 38 29.680 29.680 28.899 0.781 18375 5049 1 9 . 1 1 38 38 TRP H H 38 8.240 8.240 7.672 0.568 18375 5050 1 9 . 1 1 39 39 ALA N N 39 118.400 118.400 119.873 -1.473 18375 5051 1 9 . 1 1 39 39 ALA HA H 39 3.770 3.770 4.056 -0.286 18375 5052 1 9 . 1 1 39 39 ALA C C 39 178.580 178.580 179.520 -0.940 18375 5053 1 9 . 1 1 39 39 ALA CA C 39 56.760 56.760 55.350 1.410 18375 5054 1 9 . 1 1 39 39 ALA CB C 39 18.020 18.020 17.726 0.294 18375 5055 1 9 . 1 1 39 39 ALA H H 39 7.150 7.150 8.764 -1.614 18375 5056 1 9 . 1 1 40 40 ALA N N 40 121.830 121.830 121.303 0.527 18375 5057 1 9 . 1 1 40 40 ALA HA H 40 3.990 3.990 4.177 -0.187 18375 5058 1 9 . 1 1 40 40 ALA C C 40 171.320 171.320 179.491 -8.171 18375 5059 1 9 . 1 1 40 40 ALA CA C 40 55.610 55.610 54.219 1.391 18375 5060 1 9 . 1 1 40 40 ALA CB C 40 18.840 18.840 18.349 0.491 18375 5061 1 9 . 1 1 40 40 ALA H H 40 8.060 8.060 7.791 0.269 18375 5062 1 9 . 1 1 41 41 ALA N N 41 122.200 122.200 120.961 1.239 18375 5063 1 9 . 1 1 41 41 ALA HA H 41 3.630 3.630 3.938 -0.308 18375 5064 1 9 . 1 1 41 41 ALA C C 41 170.110 170.110 179.280 -9.170 18375 5065 1 9 . 1 1 41 41 ALA CA C 41 55.240 55.240 54.844 0.396 18375 5066 1 9 . 1 1 41 41 ALA CB C 41 18.020 18.020 18.585 -0.565 18375 5067 1 9 . 1 1 41 41 ALA H H 41 8.250 8.250 8.592 -0.342 18375 5068 1 9 . 1 1 42 42 ALA N N 42 119.600 119.600 120.598 -0.998 18375 5069 1 9 . 1 1 42 42 ALA HA H 42 3.270 3.270 3.464 -0.194 18375 5070 1 9 . 1 1 42 42 ALA C C 42 170.160 170.160 179.448 -9.288 18375 5071 1 9 . 1 1 42 42 ALA CA C 42 55.480 55.480 55.011 0.469 18375 5072 1 9 . 1 1 42 42 ALA CB C 42 19.890 19.890 18.108 1.782 18375 5073 1 9 . 1 1 42 42 ALA H H 42 7.710 7.710 8.594 -0.884 18375 5074 1 9 . 1 1 43 43 GLN N N 43 118.750 118.750 118.397 0.353 18375 5075 1 9 . 1 1 43 43 GLN HA H 43 4.340 4.340 3.970 0.370 18375 5076 1 9 . 1 1 43 43 GLN C C 43 170.980 170.980 178.965 -7.985 18375 5077 1 9 . 1 1 43 43 GLN CA C 43 60.200 60.200 58.122 2.078 18375 5078 1 9 . 1 1 43 43 GLN CB C 43 29.710 29.710 28.697 1.014 18375 5079 1 9 . 1 1 43 43 GLN H H 43 7.880 7.880 7.755 0.125 18375 5080 1 9 . 1 1 44 44 GLY N N 44 125.760 125.760 106.188 19.572 18375 5081 1 9 . 1 1 44 44 GLY C C 44 174.300 174.300 174.750 -0.450 18375 5082 1 9 . 1 1 44 44 GLY CA C 44 47.660 47.660 46.039 1.621 18375 5083 1 9 . 1 1 44 44 GLY H H 44 8.010 8.010 7.883 0.127 18375 5084 1 9 . 1 1 45 45 ALA N N 45 121.480 121.480 122.095 -0.615 18375 5085 1 9 . 1 1 45 45 ALA HA H 45 4.620 4.620 4.284 0.336 18375 5086 1 9 . 1 1 45 45 ALA C C 45 177.190 177.190 177.137 0.053 18375 5087 1 9 . 1 1 45 45 ALA CA C 45 52.680 52.680 51.668 1.012 18375 5088 1 9 . 1 1 45 45 ALA CB C 45 20.560 20.560 19.202 1.358 18375 5089 1 9 . 1 1 45 45 ALA H H 45 7.540 7.540 7.381 0.159 18375 5090 1 9 . 1 1 46 46 GLY N N 46 123.690 123.690 106.573 17.117 18375 5091 1 9 . 1 1 46 46 GLY C C 46 174.980 174.980 173.939 1.041 18375 5092 1 9 . 1 1 46 46 GLY CA C 46 46.540 46.540 44.670 1.870 18375 5093 1 9 . 1 1 46 46 GLY H H 46 7.680 7.680 7.394 0.286 18375 5094 1 9 . 1 1 47 47 PHE N N 47 119.960 119.960 119.199 0.761 18375 5095 1 9 . 1 1 47 47 PHE HA H 47 4.620 4.620 4.567 0.053 18375 5096 1 9 . 1 1 47 47 PHE C C 47 176.120 176.120 176.128 -0.008 18375 5097 1 9 . 1 1 47 47 PHE CA C 47 59.000 59.000 54.476 4.524 18375 5098 1 9 . 1 1 47 47 PHE CB C 47 40.350 40.350 39.670 0.680 18375 5099 1 9 . 1 1 47 47 PHE H H 47 8.280 8.280 7.895 0.385 18375 5100 1 9 . 1 1 48 48 THR N N 48 120.680 120.680 120.118 0.562 18375 5101 1 9 . 1 1 48 48 THR HA H 48 4.190 4.190 4.326 -0.136 18375 5102 1 9 . 1 1 48 48 THR C C 48 173.000 173.000 173.691 -0.691 18375 5103 1 9 . 1 1 48 48 THR CA C 48 65.150 65.150 62.482 2.668 18375 5104 1 9 . 1 1 48 48 THR CB C 48 70.530 70.530 67.276 3.254 18375 5105 1 9 . 1 1 48 48 THR H H 48 9.260 9.260 8.610 0.650 18375 5106 1 9 . 1 1 49 49 VAL N N 49 111.320 111.320 125.633 -14.313 18375 5107 1 9 . 1 1 49 49 VAL HA H 49 5.380 5.380 4.627 0.753 18375 5108 1 9 . 1 1 49 49 VAL C C 49 175.570 175.570 174.465 1.105 18375 5109 1 9 . 1 1 49 49 VAL CA C 49 61.510 61.510 60.664 0.846 18375 5110 1 9 . 1 1 49 49 VAL CB C 49 34.960 34.960 33.596 1.364 18375 5111 1 9 . 1 1 49 49 VAL H H 49 8.560 8.560 7.858 0.702 18375 5112 1 9 . 1 1 50 50 ASN N N 50 125.000 125.000 125.284 -0.284 18375 5113 1 9 . 1 1 50 50 ASN HA H 50 4.800 4.800 5.167 -0.367 18375 5114 1 9 . 1 1 50 50 ASN C C 50 174.270 174.270 173.235 1.035 18375 5115 1 9 . 1 1 50 50 ASN CA C 50 53.430 53.430 52.392 1.038 18375 5116 1 9 . 1 1 50 50 ASN CB C 50 39.100 39.100 41.051 -1.951 18375 5117 1 9 . 1 1 50 50 ASN H H 50 9.010 9.010 8.305 0.705 18375 5118 1 9 . 1 1 51 51 HIS N N 51 114.650 114.650 113.932 0.718 18375 5119 1 9 . 1 1 51 51 HIS HA H 51 5.760 5.760 5.301 0.459 18375 5120 1 9 . 1 1 51 51 HIS C C 51 174.060 174.060 173.817 0.243 18375 5121 1 9 . 1 1 51 51 HIS CA C 51 56.360 56.360 55.979 0.381 18375 5122 1 9 . 1 1 51 51 HIS CB C 51 29.980 29.980 30.166 -0.186 18375 5123 1 9 . 1 1 51 51 HIS H H 51 8.550 8.550 8.599 -0.049 18375 5124 1 9 . 1 1 52 52 THR N N 52 119.910 119.910 118.230 1.680 18375 5125 1 9 . 1 1 52 52 THR HA H 52 4.600 4.600 4.633 -0.033 18375 5126 1 9 . 1 1 52 52 THR CA C 52 60.140 60.140 60.339 -0.199 18375 5127 1 9 . 1 1 52 52 THR CB C 52 71.890 71.890 70.507 1.383 18375 5128 1 9 . 1 1 52 52 THR H H 52 8.500 8.500 8.294 0.206 18375 5129 1 9 . 1 1 53 53 PRO HA H 53 2.920 2.920 4.040 -1.120 18375 5130 1 9 . 1 1 53 53 PRO C C 53 175.410 175.410 175.460 -0.050 18375 5131 1 9 . 1 1 53 53 PRO CA C 53 62.460 62.460 62.849 -0.389 18375 5132 1 9 . 1 1 53 53 PRO CB C 53 33.410 33.410 32.384 1.026 18375 5133 1 9 . 1 1 54 54 SER N N 54 108.990 108.990 115.420 -6.430 18375 5134 1 9 . 1 1 54 54 SER HA H 54 4.300 4.300 4.373 -0.073 18375 5135 1 9 . 1 1 54 54 SER C C 54 172.380 172.380 172.442 -0.062 18375 5136 1 9 . 1 1 54 54 SER CA C 54 58.270 58.270 57.416 0.854 18375 5137 1 9 . 1 1 54 54 SER CB C 54 66.620 66.620 63.979 2.641 18375 5138 1 9 . 1 1 54 54 SER H H 54 6.000 6.000 7.919 -1.919 18375 5139 1 9 . 1 1 55 55 LYS N N 55 124.470 124.470 123.597 0.873 18375 5140 1 9 . 1 1 55 55 LYS HA H 55 3.500 3.500 3.987 -0.487 18375 5141 1 9 . 1 1 55 55 LYS C C 55 177.150 177.150 177.815 -0.665 18375 5142 1 9 . 1 1 55 55 LYS CA C 55 59.850 59.850 57.730 2.120 18375 5143 1 9 . 1 1 55 55 LYS CB C 55 33.010 33.010 32.309 0.702 18375 5144 1 9 . 1 1 55 55 LYS H H 55 8.860 8.860 8.597 0.263 18375 5145 1 9 . 1 1 56 56 GLY N N 56 116.710 116.710 113.845 2.865 18375 5146 1 9 . 1 1 56 56 GLY C C 56 173.430 173.430 173.148 0.282 18375 5147 1 9 . 1 1 56 56 GLY CA C 56 45.600 45.600 45.142 0.458 18375 5148 1 9 . 1 1 56 56 GLY H H 56 8.950 8.950 8.416 0.534 18375 5149 1 9 . 1 1 57 57 ALA N N 57 118.940 118.940 120.108 -1.168 18375 5150 1 9 . 1 1 57 57 ALA HA H 57 4.630 4.630 5.059 -0.429 18375 5151 1 9 . 1 1 57 57 ALA C C 57 174.570 174.570 175.259 -0.689 18375 5152 1 9 . 1 1 57 57 ALA CA C 57 51.840 51.840 49.882 1.958 18375 5153 1 9 . 1 1 57 57 ALA CB C 57 20.960 20.960 22.069 -1.109 18375 5154 1 9 . 1 1 57 57 ALA H H 57 7.420 7.420 7.348 0.072 18375 5155 1 9 . 1 1 58 58 ILE N N 58 117.340 117.340 118.313 -0.973 18375 5156 1 9 . 1 1 58 58 ILE HA H 58 4.720 4.720 4.750 -0.030 18375 5157 1 9 . 1 1 58 58 ILE C C 58 176.920 176.920 174.347 2.573 18375 5158 1 9 . 1 1 58 58 ILE CA C 58 60.910 60.910 60.862 0.048 18375 5159 1 9 . 1 1 58 58 ILE CB C 58 41.820 41.820 42.102 -0.282 18375 5160 1 9 . 1 1 58 58 ILE H H 58 8.350 8.350 8.697 -0.347 18375 5161 1 9 . 1 1 59 59 LEU N N 59 112.330 112.330 127.258 -14.928 18375 5162 1 9 . 1 1 59 59 LEU HA H 59 4.220 4.220 4.727 -0.507 18375 5163 1 9 . 1 1 59 59 LEU C C 59 174.530 174.530 174.826 -0.296 18375 5164 1 9 . 1 1 59 59 LEU CA C 59 56.430 56.430 53.624 2.805 18375 5165 1 9 . 1 1 59 59 LEU CB C 59 44.160 44.160 43.074 1.087 18375 5166 1 9 . 1 1 59 59 LEU H H 59 8.430 8.430 8.950 -0.520 18375 5167 1 9 . 1 1 60 60 GLN N N 60 111.170 111.170 128.155 -16.985 18375 5168 1 9 . 1 1 60 60 GLN HA H 60 4.970 4.970 5.305 -0.335 18375 5169 1 9 . 1 1 60 60 GLN C C 60 172.980 172.980 173.974 -0.994 18375 5170 1 9 . 1 1 60 60 GLN CA C 60 56.720 56.720 53.829 2.891 18375 5171 1 9 . 1 1 60 60 GLN CB C 60 30.950 30.950 31.887 -0.936 18375 5172 1 9 . 1 1 60 60 GLN H H 60 9.490 9.490 8.487 1.003 18375 5173 1 9 . 1 1 61 61 SER N N 61 118.550 118.550 118.543 0.007 18375 5174 1 9 . 1 1 61 61 SER HA H 61 4.940 4.940 5.006 -0.066 18375 5175 1 9 . 1 1 61 61 SER C C 61 174.370 174.370 174.236 0.134 18375 5176 1 9 . 1 1 61 61 SER CA C 61 56.570 56.570 55.411 1.159 18375 5177 1 9 . 1 1 61 61 SER CB C 61 67.130 67.130 64.843 2.287 18375 5178 1 9 . 1 1 61 61 SER H H 61 8.800 8.800 8.864 -0.064 18375 5179 1 9 . 1 1 62 62 SER N N 62 120.910 120.910 119.006 1.904 18375 5180 1 9 . 1 1 62 62 SER HA H 62 4.540 4.540 4.489 0.051 18375 5181 1 9 . 1 1 62 62 SER C C 62 173.560 173.560 174.222 -0.662 18375 5182 1 9 . 1 1 62 62 SER CA C 62 59.270 59.270 59.454 -0.184 18375 5183 1 9 . 1 1 62 62 SER CB C 62 64.390 64.390 63.370 1.020 18375 5184 1 9 . 1 1 62 62 SER H H 62 8.900 8.900 8.750 0.150 18375 5185 1 9 . 1 1 63 63 GLU N N 63 121.810 121.810 121.346 0.464 18375 5186 1 9 . 1 1 63 63 GLU HA H 63 4.220 4.220 4.481 -0.261 18375 5187 1 9 . 1 1 63 63 GLU C C 63 176.030 176.030 175.424 0.606 18375 5188 1 9 . 1 1 63 63 GLU CA C 63 57.840 57.840 55.790 2.050 18375 5189 1 9 . 1 1 63 63 GLU CB C 63 32.170 32.170 31.611 0.558 18375 5190 1 9 . 1 1 63 63 GLU H H 63 8.040 8.040 7.270 0.770 18375 5191 1 9 . 1 1 64 64 GLY N N 64 125.900 125.900 111.003 14.897 18375 5192 1 9 . 1 1 64 64 GLY CA C 64 45.490 45.490 45.333 0.157 18375 5193 1 9 . 1 1 64 64 GLY H H 64 8.200 8.200 8.211 -0.011 18375 5194 1 9 . 1 1 65 65 PRO HA H 65 4.040 4.040 4.270 -0.230 18375 5195 1 9 . 1 1 65 65 PRO C C 65 177.870 177.870 176.155 1.715 18375 5196 1 9 . 1 1 65 65 PRO CA C 65 65.610 65.610 64.025 1.585 18375 5197 1 9 . 1 1 65 65 PRO CB C 65 32.160 32.160 31.683 0.477 18375 5198 1 9 . 1 1 66 66 PHE N N 66 112.970 112.970 116.366 -3.396 18375 5199 1 9 . 1 1 66 66 PHE HA H 66 4.920 4.920 4.710 0.210 18375 5200 1 9 . 1 1 66 66 PHE C C 66 176.190 176.190 176.309 -0.119 18375 5201 1 9 . 1 1 66 66 PHE CA C 66 57.420 57.420 58.069 -0.649 18375 5202 1 9 . 1 1 66 66 PHE CB C 66 42.360 42.360 40.188 2.172 18375 5203 1 9 . 1 1 66 66 PHE H H 66 8.490 8.490 8.031 0.459 18375 5204 1 9 . 1 1 67 67 GLY N N 67 124.370 124.370 105.478 18.892 18375 5205 1 9 . 1 1 67 67 GLY C C 67 172.480 172.480 172.596 -0.116 18375 5206 1 9 . 1 1 67 67 GLY CA C 67 46.860 46.860 45.012 1.848 18375 5207 1 9 . 1 1 67 67 GLY H H 67 6.940 6.940 7.636 -0.696 18375 5208 1 9 . 1 1 68 68 HIS N N 68 117.820 117.820 119.509 -1.689 18375 5209 1 9 . 1 1 68 68 HIS HA H 68 5.020 5.020 5.078 -0.058 18375 5210 1 9 . 1 1 68 68 HIS C C 68 173.790 173.790 173.295 0.495 18375 5211 1 9 . 1 1 68 68 HIS CA C 68 58.230 58.230 55.489 2.741 18375 5212 1 9 . 1 1 68 68 HIS CB C 68 36.120 36.120 31.978 4.142 18375 5213 1 9 . 1 1 68 68 HIS H H 68 8.590 8.590 8.426 0.164 18375 5214 1 9 . 1 1 69 69 VAL N N 69 116.830 116.830 121.577 -4.747 18375 5215 1 9 . 1 1 69 69 VAL HA H 69 5.320 5.320 5.173 0.147 18375 5216 1 9 . 1 1 69 69 VAL C C 69 173.060 173.060 173.863 -0.803 18375 5217 1 9 . 1 1 69 69 VAL CA C 69 58.940 58.940 59.324 -0.384 18375 5218 1 9 . 1 1 69 69 VAL CB C 69 37.700 37.700 32.820 4.880 18375 5219 1 9 . 1 1 69 69 VAL H H 69 6.040 6.040 7.785 -1.745 18375 5220 1 9 . 1 1 70 70 ALA N N 70 120.820 120.820 129.519 -8.699 18375 5221 1 9 . 1 1 70 70 ALA HA H 70 4.510 4.510 4.631 -0.121 18375 5222 1 9 . 1 1 70 70 ALA C C 70 173.870 173.870 175.690 -1.820 18375 5223 1 9 . 1 1 70 70 ALA CA C 70 51.560 51.560 50.063 1.497 18375 5224 1 9 . 1 1 70 70 ALA CB C 70 26.390 26.390 21.852 4.538 18375 5225 1 9 . 1 1 70 70 ALA H H 70 8.890 8.890 8.756 0.134 18375 5226 1 9 . 1 1 71 71 TYR N N 71 121.640 121.640 127.199 -5.559 18375 5227 1 9 . 1 1 71 71 TYR HA H 71 4.890 4.890 4.499 0.391 18375 5228 1 9 . 1 1 71 71 TYR C C 71 174.620 174.620 174.483 0.137 18375 5229 1 9 . 1 1 71 71 TYR CA C 71 58.140 58.140 57.806 0.334 18375 5230 1 9 . 1 1 71 71 TYR CB C 71 42.850 42.850 39.344 3.506 18375 5231 1 9 . 1 1 71 71 TYR H H 71 9.310 9.310 8.462 0.848 18375 5232 1 9 . 1 1 72 72 VAL N N 72 126.010 126.010 127.669 -1.659 18375 5233 1 9 . 1 1 72 72 VAL HA H 72 3.880 3.880 3.685 0.195 18375 5234 1 9 . 1 1 72 72 VAL C C 72 174.250 174.250 175.590 -1.340 18375 5235 1 9 . 1 1 72 72 VAL CA C 72 64.970 64.970 62.847 2.123 18375 5236 1 9 . 1 1 72 72 VAL CB C 72 31.470 31.470 30.325 1.145 18375 5237 1 9 . 1 1 72 72 VAL H H 72 8.230 8.230 8.646 -0.416 18375 5238 1 9 . 1 1 73 73 GLU N N 73 112.690 112.690 129.354 -16.664 18375 5239 1 9 . 1 1 73 73 GLU HA H 73 4.250 4.250 4.052 0.198 18375 5240 1 9 . 1 1 73 73 GLU C C 73 178.020 178.020 176.432 1.588 18375 5241 1 9 . 1 1 73 73 GLU CA C 73 58.400 58.400 58.136 0.264 18375 5242 1 9 . 1 1 73 73 GLU CB C 73 31.050 31.050 30.572 0.478 18375 5243 1 9 . 1 1 73 73 GLU H H 73 8.820 8.820 8.683 0.137 18375 5244 1 9 . 1 1 74 74 SER N N 74 125.880 125.880 111.568 14.312 18375 5245 1 9 . 1 1 74 74 SER HA H 74 4.330 4.330 4.611 -0.281 18375 5246 1 9 . 1 1 74 74 SER C C 74 172.030 172.030 171.997 0.033 18375 5247 1 9 . 1 1 74 74 SER CA C 74 59.220 59.220 57.844 1.376 18375 5248 1 9 . 1 1 74 74 SER CB C 74 65.620 65.620 66.781 -1.161 18375 5249 1 9 . 1 1 74 74 SER H H 74 7.900 7.900 7.795 0.105 18375 5250 1 9 . 1 1 75 75 VAL N N 75 122.760 122.760 124.196 -1.436 18375 5251 1 9 . 1 1 75 75 VAL HA H 75 4.320 4.320 4.073 0.247 18375 5252 1 9 . 1 1 75 75 VAL C C 75 176.270 176.270 175.132 1.138 18375 5253 1 9 . 1 1 75 75 VAL CA C 75 63.380 63.380 61.050 2.329 18375 5254 1 9 . 1 1 75 75 VAL CB C 75 32.750 32.750 32.569 0.181 18375 5255 1 9 . 1 1 75 75 VAL H H 75 8.400 8.400 8.453 -0.053 18375 5256 1 9 . 1 1 76 76 ASN N N 76 125.270 125.270 127.039 -1.769 18375 5257 1 9 . 1 1 76 76 ASN HA H 76 4.790 4.790 4.874 -0.084 18375 5258 1 9 . 1 1 76 76 ASN CA C 76 54.260 54.260 53.316 0.944 18375 5259 1 9 . 1 1 76 76 ASN CB C 76 39.960 39.960 39.652 0.308 18375 5260 1 9 . 1 1 76 76 ASN H H 76 9.080 9.080 8.949 0.131 18375 5261 1 9 . 1 1 77 77 SER HA H 77 4.130 4.130 4.248 -0.118 18375 5262 1 9 . 1 1 77 77 SER C C 77 174.410 174.410 174.925 -0.515 18375 5263 1 9 . 1 1 77 77 SER CA C 77 62.670 62.670 60.872 1.798 18375 5264 1 9 . 1 1 77 77 SER CB C 77 63.600 63.600 63.083 0.517 18375 5265 1 9 . 1 1 78 78 ASP N N 78 118.590 118.590 119.727 -1.137 18375 5266 1 9 . 1 1 78 78 ASP HA H 78 4.580 4.580 4.576 0.004 18375 5267 1 9 . 1 1 78 78 ASP C C 78 176.790 176.790 177.104 -0.314 18375 5268 1 9 . 1 1 78 78 ASP CA C 78 53.960 53.960 54.409 -0.449 18375 5269 1 9 . 1 1 78 78 ASP CB C 78 40.880 40.880 40.308 0.572 18375 5270 1 9 . 1 1 78 78 ASP H H 78 7.980 7.980 8.337 -0.357 18375 5271 1 9 . 1 1 79 79 GLY N N 79 109.220 109.220 105.972 3.248 18375 5272 1 9 . 1 1 79 79 GLY C C 79 173.470 173.470 173.424 0.046 18375 5273 1 9 . 1 1 79 79 GLY CA C 79 46.050 46.050 45.125 0.925 18375 5274 1 9 . 1 1 79 79 GLY H H 79 8.180 8.180 8.026 0.154 18375 5275 1 9 . 1 1 80 80 SER N N 80 114.200 114.200 118.254 -4.054 18375 5276 1 9 . 1 1 80 80 SER HA H 80 4.350 4.350 5.020 -0.670 18375 5277 1 9 . 1 1 80 80 SER C C 80 172.630 172.630 173.956 -1.326 18375 5278 1 9 . 1 1 80 80 SER CA C 80 59.580 59.580 58.264 1.316 18375 5279 1 9 . 1 1 80 80 SER CB C 80 65.710 65.710 64.303 1.407 18375 5280 1 9 . 1 1 80 80 SER H H 80 7.930 7.930 7.632 0.298 18375 5281 1 9 . 1 1 81 81 VAL N N 81 118.060 118.060 124.701 -6.641 18375 5282 1 9 . 1 1 81 81 VAL HA H 81 4.690 4.690 4.290 0.400 18375 5283 1 9 . 1 1 81 81 VAL C C 81 175.220 175.220 175.823 -0.603 18375 5284 1 9 . 1 1 81 81 VAL CA C 81 61.980 61.980 60.848 1.132 18375 5285 1 9 . 1 1 81 81 VAL CB C 81 36.810 36.810 32.521 4.289 18375 5286 1 9 . 1 1 81 81 VAL H H 81 8.820 8.820 8.984 -0.164 18375 5287 1 9 . 1 1 82 82 THR N N 82 125.170 125.170 125.324 -0.154 18375 5288 1 9 . 1 1 82 82 THR HA H 82 5.190 5.190 4.751 0.439 18375 5289 1 9 . 1 1 82 82 THR C C 82 174.150 174.150 173.970 0.180 18375 5290 1 9 . 1 1 82 82 THR CA C 82 63.440 63.440 63.316 0.124 18375 5291 1 9 . 1 1 82 82 THR CB C 82 70.520 70.520 68.520 2.000 18375 5292 1 9 . 1 1 82 82 THR H H 82 9.020 9.020 9.004 0.016 18375 5293 1 9 . 1 1 83 83 ILE N N 83 120.970 120.970 123.214 -2.244 18375 5294 1 9 . 1 1 83 83 ILE HA H 83 5.640 5.640 5.001 0.639 18375 5295 1 9 . 1 1 83 83 ILE C C 83 175.030 175.030 173.835 1.195 18375 5296 1 9 . 1 1 83 83 ILE CA C 83 59.440 59.440 58.890 0.550 18375 5297 1 9 . 1 1 83 83 ILE CB C 83 42.170 42.170 42.175 -0.005 18375 5298 1 9 . 1 1 83 83 ILE H H 83 9.280 9.280 8.602 0.677 18375 5299 1 9 . 1 1 84 84 SER N N 84 115.430 115.430 117.908 -2.478 18375 5300 1 9 . 1 1 84 84 SER HA H 84 5.590 5.590 5.096 0.494 18375 5301 1 9 . 1 1 84 84 SER C C 84 173.130 173.130 172.728 0.402 18375 5302 1 9 . 1 1 84 84 SER CA C 84 58.050 58.050 57.526 0.524 18375 5303 1 9 . 1 1 84 84 SER CB C 84 67.140 67.140 66.597 0.543 18375 5304 1 9 . 1 1 84 84 SER H H 84 9.600 9.600 8.808 0.792 18375 5305 1 9 . 1 1 85 85 GLU N N 85 117.660 117.660 123.169 -5.509 18375 5306 1 9 . 1 1 85 85 GLU HA H 85 5.180 5.180 4.629 0.551 18375 5307 1 9 . 1 1 85 85 GLU C C 85 171.780 171.780 174.664 -2.884 18375 5308 1 9 . 1 1 85 85 GLU CA C 85 54.880 54.880 54.768 0.112 18375 5309 1 9 . 1 1 85 85 GLU CB C 85 33.540 33.540 32.056 1.484 18375 5310 1 9 . 1 1 85 85 GLU H H 85 8.800 8.800 8.125 0.675 18375 5311 1 9 . 1 1 86 86 MET N N 86 118.950 118.950 126.686 -7.736 18375 5312 1 9 . 1 1 86 86 MET HA H 86 5.250 5.250 4.322 0.928 18375 5313 1 9 . 1 1 86 86 MET C C 86 175.010 175.010 177.036 -2.026 18375 5314 1 9 . 1 1 86 86 MET CA C 86 53.880 53.880 56.770 -2.890 18375 5315 1 9 . 1 1 86 86 MET CB C 86 38.240 38.240 32.715 5.525 18375 5316 1 9 . 1 1 86 86 MET H H 86 8.490 8.490 8.570 -0.080 18375 5317 1 9 . 1 1 87 87 ASN N N 87 116.670 116.670 124.297 -7.627 18375 5318 1 9 . 1 1 87 87 ASN HA H 87 4.190 4.190 4.447 -0.257 18375 5319 1 9 . 1 1 87 87 ASN C C 87 174.810 174.810 175.997 -1.187 18375 5320 1 9 . 1 1 87 87 ASN CA C 87 54.520 54.520 56.098 -1.578 18375 5321 1 9 . 1 1 87 87 ASN CB C 87 39.330 39.330 37.523 1.807 18375 5322 1 9 . 1 1 87 87 ASN H H 87 8.250 8.250 8.925 -0.675 18375 5323 1 9 . 1 1 88 88 TYR N N 88 119.600 119.600 120.215 -0.615 18375 5324 1 9 . 1 1 88 88 TYR HA H 88 4.290 4.290 4.094 0.196 18375 5325 1 9 . 1 1 88 88 TYR C C 88 175.620 175.620 174.370 1.250 18375 5326 1 9 . 1 1 88 88 TYR CA C 88 60.720 60.720 59.114 1.606 18375 5327 1 9 . 1 1 88 88 TYR CB C 88 41.430 41.430 36.734 4.696 18375 5328 1 9 . 1 1 88 88 TYR H H 88 8.940 8.940 8.522 0.418 18375 5329 1 9 . 1 1 89 89 SER N N 89 113.120 113.120 111.980 1.140 18375 5330 1 9 . 1 1 89 89 SER HA H 89 4.320 4.320 4.085 0.235 18375 5331 1 9 . 1 1 89 89 SER C C 89 174.860 174.860 173.770 1.090 18375 5332 1 9 . 1 1 89 89 SER CA C 89 58.690 58.690 59.416 -0.726 18375 5333 1 9 . 1 1 89 89 SER CB C 89 65.140 65.140 62.442 2.698 18375 5334 1 9 . 1 1 89 89 SER H H 89 8.060 8.060 8.426 -0.366 18375 5335 1 9 . 1 1 90 90 GLY N N 90 110.450 110.450 109.762 0.688 18375 5336 1 9 . 1 1 90 90 GLY C C 90 174.680 174.680 173.314 1.366 18375 5337 1 9 . 1 1 90 90 GLY CA C 90 45.950 45.950 46.025 -0.075 18375 5338 1 9 . 1 1 90 90 GLY H H 90 8.180 8.180 8.897 -0.717 18375 5339 1 9 . 1 1 91 91 GLY N N 91 108.710 108.710 111.361 -2.651 18375 5340 1 9 . 1 1 91 91 GLY CA C 91 45.880 45.880 42.946 2.934 18375 5341 1 9 . 1 1 91 91 GLY H H 91 8.330 8.330 7.605 0.725 18375 5342 1 9 . 1 1 92 92 PRO HA H 92 4.040 4.040 4.092 -0.052 18375 5343 1 9 . 1 1 92 92 PRO C C 92 177.930 177.930 176.141 1.789 18375 5344 1 9 . 1 1 92 92 PRO CA C 92 64.710 64.710 63.670 1.040 18375 5345 1 9 . 1 1 92 92 PRO CB C 92 32.690 32.690 31.401 1.289 18375 5346 1 9 . 1 1 93 93 PHE N N 93 113.220 113.220 117.217 -3.997 18375 5347 1 9 . 1 1 93 93 PHE HA H 93 4.480 4.480 4.138 0.342 18375 5348 1 9 . 1 1 93 93 PHE C C 93 174.490 174.490 176.188 -1.698 18375 5349 1 9 . 1 1 93 93 PHE CA C 93 62.890 62.890 59.208 3.682 18375 5350 1 9 . 1 1 93 93 PHE CB C 93 37.410 37.410 37.212 0.198 18375 5351 1 9 . 1 1 93 93 PHE H H 93 8.350 8.350 8.331 0.019 18375 5352 1 9 . 1 1 94 94 SER N N 94 115.680 115.680 118.381 -2.701 18375 5353 1 9 . 1 1 94 94 SER HA H 94 4.620 4.620 4.431 0.189 18375 5354 1 9 . 1 1 94 94 SER C C 94 174.290 174.290 174.602 -0.312 18375 5355 1 9 . 1 1 94 94 SER CA C 94 59.150 59.150 59.253 -0.103 18375 5356 1 9 . 1 1 94 94 SER CB C 94 64.690 64.690 62.951 1.739 18375 5357 1 9 . 1 1 94 94 SER H H 94 7.980 7.980 8.070 -0.090 18375 5358 1 9 . 1 1 95 95 VAL N N 95 112.520 112.520 127.422 -14.902 18375 5359 1 9 . 1 1 95 95 VAL HA H 95 4.830 4.830 3.902 0.928 18375 5360 1 9 . 1 1 95 95 VAL C C 95 175.770 175.770 174.692 1.078 18375 5361 1 9 . 1 1 95 95 VAL CA C 95 62.520 62.520 62.250 0.270 18375 5362 1 9 . 1 1 95 95 VAL CB C 95 34.010 34.010 32.024 1.986 18375 5363 1 9 . 1 1 95 95 VAL H H 95 8.840 8.840 7.896 0.944 18375 5364 1 9 . 1 1 96 96 SER N N 96 122.260 122.260 127.505 -5.245 18375 5365 1 9 . 1 1 96 96 SER HA H 96 4.810 4.810 4.477 0.333 18375 5366 1 9 . 1 1 96 96 SER C C 96 172.250 172.250 173.752 -1.502 18375 5367 1 9 . 1 1 96 96 SER CA C 96 58.080 58.080 58.088 -0.008 18375 5368 1 9 . 1 1 96 96 SER CB C 96 66.590 66.590 62.585 4.005 18375 5369 1 9 . 1 1 96 96 SER H H 96 9.190 9.190 9.046 0.144 18375 5370 1 9 . 1 1 97 97 SER N N 97 112.810 112.810 123.036 -10.226 18375 5371 1 9 . 1 1 97 97 SER HA H 97 5.620 5.620 4.631 0.989 18375 5372 1 9 . 1 1 97 97 SER C C 97 174.130 174.130 174.453 -0.323 18375 5373 1 9 . 1 1 97 97 SER CA C 97 57.260 57.260 59.129 -1.869 18375 5374 1 9 . 1 1 97 97 SER CB C 97 66.740 66.740 63.279 3.461 18375 5375 1 9 . 1 1 97 97 SER H H 97 8.290 8.290 8.115 0.175 18375 5376 1 9 . 1 1 98 98 ARG N N 98 122.640 122.640 126.327 -3.687 18375 5377 1 9 . 1 1 98 98 ARG HA H 98 4.650 4.650 4.787 -0.137 18375 5378 1 9 . 1 1 98 98 ARG C C 98 174.030 174.030 175.331 -1.301 18375 5379 1 9 . 1 1 98 98 ARG CA C 98 56.640 56.640 53.842 2.799 18375 5380 1 9 . 1 1 98 98 ARG CB C 98 36.240 36.240 32.988 3.252 18375 5381 1 9 . 1 1 98 98 ARG H H 98 8.380 8.380 8.941 -0.561 18375 5382 1 9 . 1 1 99 99 THR N N 99 118.220 118.220 117.552 0.668 18375 5383 1 9 . 1 1 99 99 THR HA H 99 5.280 5.280 5.184 0.096 18375 5384 1 9 . 1 1 99 99 THR C C 99 173.930 173.930 173.716 0.214 18375 5385 1 9 . 1 1 99 99 THR CA C 99 62.820 62.820 61.579 1.241 18375 5386 1 9 . 1 1 99 99 THR CB C 99 71.360 71.360 70.172 1.188 18375 5387 1 9 . 1 1 99 99 THR H H 99 8.650 8.650 8.300 0.350 18375 5388 1 9 . 1 1 100 100 ILE N N 100 112.130 112.130 128.000 -15.870 18375 5389 1 9 . 1 1 100 100 ILE HA H 100 4.290 4.290 4.182 0.108 18375 5390 1 9 . 1 1 100 100 ILE C C 100 175.190 175.190 175.662 -0.472 18375 5391 1 9 . 1 1 100 100 ILE CA C 100 60.340 60.340 58.781 1.559 18375 5392 1 9 . 1 1 100 100 ILE CB C 100 40.390 40.390 37.888 2.502 18375 5393 1 9 . 1 1 100 100 ILE H H 100 9.560 9.560 9.009 0.551 18375 5394 1 9 . 1 1 101 101 SER N N 101 121.940 121.940 123.911 -1.971 18375 5395 1 9 . 1 1 101 101 SER HA H 101 4.120 4.120 4.552 -0.432 18375 5396 1 9 . 1 1 101 101 SER C C 101 174.230 174.230 175.517 -1.287 18375 5397 1 9 . 1 1 101 101 SER CA C 101 59.450 59.450 57.939 1.511 18375 5398 1 9 . 1 1 101 101 SER CB C 101 65.410 65.410 64.107 1.303 18375 5399 1 9 . 1 1 101 101 SER H H 101 8.860 8.860 8.860 0.000 18375 5400 1 9 . 1 1 102 102 ALA N N 102 123.870 123.870 128.851 -4.981 18375 5401 1 9 . 1 1 102 102 ALA HA H 102 3.910 3.910 3.926 -0.016 18375 5402 1 9 . 1 1 102 102 ALA C C 102 170.440 170.440 179.093 -8.653 18375 5403 1 9 . 1 1 102 102 ALA CA C 102 56.360 56.360 55.510 0.850 18375 5404 1 9 . 1 1 102 102 ALA CB C 102 19.430 19.430 18.584 0.846 18375 5405 1 9 . 1 1 102 102 ALA H H 102 8.860 8.860 8.710 0.150 18375 5406 1 9 . 1 1 103 103 SER N N 103 109.980 109.980 113.246 -3.266 18375 5407 1 9 . 1 1 103 103 SER HA H 103 4.200 4.200 4.072 0.128 18375 5408 1 9 . 1 1 103 103 SER C C 103 176.050 176.050 176.027 0.023 18375 5409 1 9 . 1 1 103 103 SER CA C 103 61.680 61.680 60.812 0.868 18375 5410 1 9 . 1 1 103 103 SER CB C 103 63.640 63.640 62.742 0.898 18375 5411 1 9 . 1 1 103 103 SER H H 103 8.180 8.180 8.166 0.014 18375 5412 1 9 . 1 1 104 104 GLU N N 104 121.250 121.250 120.386 0.864 18375 5413 1 9 . 1 1 104 104 GLU HA H 104 4.260 4.260 4.232 0.028 18375 5414 1 9 . 1 1 104 104 GLU C C 104 178.240 178.240 177.598 0.642 18375 5415 1 9 . 1 1 104 104 GLU CA C 104 57.960 57.960 56.524 1.436 18375 5416 1 9 . 1 1 104 104 GLU CB C 104 32.210 32.210 30.005 2.205 18375 5417 1 9 . 1 1 104 104 GLU H H 104 7.560 7.560 7.713 -0.153 18375 5418 1 9 . 1 1 105 105 ALA N N 105 121.520 121.520 122.391 -0.871 18375 5419 1 9 . 1 1 105 105 ALA HA H 105 4.060 4.060 4.458 -0.398 18375 5420 1 9 . 1 1 105 105 ALA C C 105 170.230 170.230 179.243 -9.013 18375 5421 1 9 . 1 1 105 105 ALA CA C 105 57.080 57.080 54.650 2.430 18375 5422 1 9 . 1 1 105 105 ALA CB C 105 19.320 19.320 18.462 0.858 18375 5423 1 9 . 1 1 105 105 ALA H H 105 8.280 8.280 8.100 0.180 18375 5424 1 9 . 1 1 106 106 GLY N N 106 121.950 121.950 104.937 17.013 18375 5425 1 9 . 1 1 106 106 GLY C C 106 174.110 174.110 175.152 -1.042 18375 5426 1 9 . 1 1 106 106 GLY CA C 106 46.780 46.780 45.882 0.898 18375 5427 1 9 . 1 1 106 106 GLY H H 106 8.360 8.360 8.081 0.279 18375 5428 1 9 . 1 1 107 107 ASN N N 107 117.130 117.130 120.255 -3.125 18375 5429 1 9 . 1 1 107 107 ASN HA H 107 4.480 4.480 4.560 -0.080 18375 5430 1 9 . 1 1 107 107 ASN C C 107 175.110 175.110 175.466 -0.356 18375 5431 1 9 . 1 1 107 107 ASN CA C 107 54.220 54.220 54.143 0.077 18375 5432 1 9 . 1 1 107 107 ASN CB C 107 38.890 38.890 39.055 -0.165 18375 5433 1 9 . 1 1 107 107 ASN H H 107 7.830 7.830 7.499 0.331 18375 5434 1 9 . 1 1 108 108 TYR N N 108 117.300 117.300 118.577 -1.277 18375 5435 1 9 . 1 1 108 108 TYR HA H 108 4.620 4.620 4.511 0.109 18375 5436 1 9 . 1 1 108 108 TYR C C 108 174.810 174.810 175.854 -1.044 18375 5437 1 9 . 1 1 108 108 TYR CA C 108 58.700 58.700 59.740 -1.040 18375 5438 1 9 . 1 1 108 108 TYR CB C 108 41.260 41.260 38.395 2.865 18375 5439 1 9 . 1 1 108 108 TYR H H 108 7.020 7.020 7.303 -0.283 18375 5440 1 9 . 1 1 109 109 ASN N N 109 117.260 117.260 118.507 -1.247 18375 5441 1 9 . 1 1 109 109 ASN HA H 109 5.020 5.020 5.392 -0.372 18375 5442 1 9 . 1 1 109 109 ASN C C 109 173.590 173.590 174.203 -0.613 18375 5443 1 9 . 1 1 109 109 ASN CA C 109 53.140 53.140 53.718 -0.578 18375 5444 1 9 . 1 1 109 109 ASN CB C 109 41.590 41.590 40.718 0.872 18375 5445 1 9 . 1 1 109 109 ASN H H 109 7.910 7.910 8.607 -0.697 18375 5446 1 9 . 1 1 110 110 TYR N N 110 117.410 117.410 116.658 0.752 18375 5447 1 9 . 1 1 110 110 TYR HA H 110 5.300 5.300 5.595 -0.295 18375 5448 1 9 . 1 1 110 110 TYR C C 110 174.450 174.450 173.553 0.897 18375 5449 1 9 . 1 1 110 110 TYR CA C 110 57.740 57.740 56.094 1.645 18375 5450 1 9 . 1 1 110 110 TYR CB C 110 41.580 41.580 42.298 -0.718 18375 5451 1 9 . 1 1 110 110 TYR H H 110 9.340 9.340 9.234 0.106 18375 5452 1 9 . 1 1 111 111 ILE N N 111 123.080 123.080 117.565 5.515 18375 5453 1 9 . 1 1 111 111 ILE HA H 111 4.360 4.360 4.572 -0.212 18375 5454 1 9 . 1 1 111 111 ILE C C 111 175.250 175.250 173.922 1.328 18375 5455 1 9 . 1 1 111 111 ILE CA C 111 61.530 61.530 59.678 1.853 18375 5456 1 9 . 1 1 111 111 ILE CB C 111 40.560 40.560 40.839 -0.279 18375 5457 1 9 . 1 1 111 111 ILE H H 111 9.320 9.320 8.769 0.551 18375 5458 1 9 . 1 1 112 112 HIS N N 112 109.020 109.020 120.713 -11.693 18375 5459 1 9 . 1 1 112 112 HIS HA H 112 4.560 4.560 4.970 -0.410 18375 5460 1 9 . 1 1 112 112 HIS C C 112 173.980 173.980 173.781 0.199 18375 5461 1 9 . 1 1 112 112 HIS CA C 112 57.550 57.550 54.910 2.640 18375 5462 1 9 . 1 1 112 112 HIS CB C 112 31.350 31.350 31.981 -0.631 18375 5463 1 9 . 1 1 112 112 HIS H H 112 8.710 8.710 7.602 1.108 18375 5464 1 10 . 1 1 3 3 SER HA H 3 4.510 4.510 4.269 0.241 18375 5465 1 10 . 1 1 3 3 SER C C 3 174.460 174.460 174.193 0.267 18375 5466 1 10 . 1 1 3 3 SER CA C 3 59.400 59.400 59.225 0.175 18375 5467 1 10 . 1 1 3 3 SER CB C 3 64.820 64.820 63.324 1.496 18375 5468 1 10 . 1 1 4 4 ILE N N 4 121.890 121.890 115.703 6.187 18375 5469 1 10 . 1 1 4 4 ILE HA H 4 4.210 4.210 4.572 -0.362 18375 5470 1 10 . 1 1 4 4 ILE C C 4 176.040 176.040 174.194 1.846 18375 5471 1 10 . 1 1 4 4 ILE CA C 4 62.180 62.180 60.155 2.025 18375 5472 1 10 . 1 1 4 4 ILE CB C 4 39.930 39.930 40.781 -0.851 18375 5473 1 10 . 1 1 4 4 ILE H H 4 8.180 8.180 7.204 0.976 18375 5474 1 10 . 1 1 5 5 SER N N 5 119.230 119.230 119.323 -0.093 18375 5475 1 10 . 1 1 5 5 SER C C 5 174.290 174.290 175.133 -0.843 18375 5476 1 10 . 1 1 5 5 SER CA C 5 59.140 59.140 58.237 0.903 18375 5477 1 10 . 1 1 5 5 SER CB C 5 64.930 64.930 64.466 0.464 18375 5478 1 10 . 1 1 5 5 SER H H 5 8.270 8.270 8.224 0.046 18375 5479 1 10 . 1 1 6 6 HIS HA H 6 4.650 4.650 4.867 -0.217 18375 5480 1 10 . 1 1 6 6 HIS CA C 6 57.240 57.240 55.712 1.528 18375 5481 1 10 . 1 1 6 6 HIS CB C 6 31.150 31.150 30.195 0.955 18375 5482 1 10 . 1 1 7 7 SER N N 7 117.260 117.260 115.882 1.378 18375 5483 1 10 . 1 1 7 7 SER HA H 7 4.430 4.430 4.350 0.080 18375 5484 1 10 . 1 1 7 7 SER C C 7 174.890 174.890 175.744 -0.854 18375 5485 1 10 . 1 1 7 7 SER CA C 7 59.750 59.750 59.892 -0.142 18375 5486 1 10 . 1 1 7 7 SER CB C 7 64.890 64.890 63.377 1.513 18375 5487 1 10 . 1 1 7 7 SER H H 7 8.360 8.360 8.130 0.230 18375 5488 1 10 . 1 1 8 8 GLY N N 8 110.140 110.140 110.487 -0.347 18375 5489 1 10 . 1 1 8 8 GLY C C 8 173.340 173.340 174.160 -0.820 18375 5490 1 10 . 1 1 8 8 GLY CA C 8 45.920 45.920 45.579 0.341 18375 5491 1 10 . 1 1 8 8 GLY H H 8 8.500 8.500 8.370 0.130 18375 5492 1 10 . 1 1 9 9 ASN N N 9 118.840 118.840 121.930 -3.090 18375 5493 1 10 . 1 1 9 9 ASN HA H 9 3.430 3.430 5.006 -1.576 18375 5494 1 10 . 1 1 9 9 ASN C C 9 175.460 175.460 175.971 -0.511 18375 5495 1 10 . 1 1 9 9 ASN CA C 9 53.400 53.400 52.700 0.700 18375 5496 1 10 . 1 1 9 9 ASN CB C 9 38.780 38.780 38.655 0.125 18375 5497 1 10 . 1 1 9 9 ASN H H 9 8.280 8.280 8.541 -0.261 18375 5498 1 10 . 1 1 10 10 LEU N N 10 125.560 125.560 124.988 0.572 18375 5499 1 10 . 1 1 10 10 LEU HA H 10 4.250 4.250 4.444 -0.194 18375 5500 1 10 . 1 1 10 10 LEU C C 10 177.320 177.320 177.122 0.198 18375 5501 1 10 . 1 1 10 10 LEU CA C 10 55.080 55.080 54.920 0.160 18375 5502 1 10 . 1 1 10 10 LEU CB C 10 42.110 42.110 42.410 -0.299 18375 5503 1 10 . 1 1 10 10 LEU H H 10 6.850 6.850 8.482 -1.632 18375 5504 1 10 . 1 1 11 11 TYR N N 11 120.920 120.920 119.117 1.803 18375 5505 1 10 . 1 1 11 11 TYR HA H 11 4.350 4.350 4.631 -0.281 18375 5506 1 10 . 1 1 11 11 TYR C C 11 174.800 174.800 176.868 -2.068 18375 5507 1 10 . 1 1 11 11 TYR CA C 11 60.200 60.200 58.630 1.570 18375 5508 1 10 . 1 1 11 11 TYR CB C 11 38.520 38.520 40.651 -2.131 18375 5509 1 10 . 1 1 11 11 TYR H H 11 7.680 7.680 8.368 -0.688 18375 5510 1 10 . 1 1 12 12 THR N N 12 118.320 118.320 116.126 2.194 18375 5511 1 10 . 1 1 12 12 THR HA H 12 3.680 3.680 4.048 -0.368 18375 5512 1 10 . 1 1 12 12 THR C C 12 173.180 173.180 172.868 0.312 18375 5513 1 10 . 1 1 12 12 THR CA C 12 65.310 65.310 64.066 1.244 18375 5514 1 10 . 1 1 12 12 THR CB C 12 70.080 70.080 69.115 0.965 18375 5515 1 10 . 1 1 12 12 THR H H 12 8.320 8.320 8.333 -0.013 18375 5516 1 10 . 1 1 13 13 ALA N N 13 111.540 111.540 120.772 -9.232 18375 5517 1 10 . 1 1 13 13 ALA HA H 13 3.690 3.690 2.834 0.856 18375 5518 1 10 . 1 1 13 13 ALA CA C 13 53.700 53.700 51.141 2.559 18375 5519 1 10 . 1 1 13 13 ALA H H 13 8.150 8.150 7.334 0.816 18375 5520 1 10 . 1 1 14 14 GLY N N 14 109.410 109.410 107.427 1.983 18375 5521 1 10 . 1 1 14 14 GLY C C 14 173.310 173.310 173.206 0.104 18375 5522 1 10 . 1 1 14 14 GLY CA C 14 44.150 44.150 44.264 -0.114 18375 5523 1 10 . 1 1 14 14 GLY H H 14 4.990 4.990 5.990 -1.000 18375 5524 1 10 . 1 1 15 15 GLN N N 15 115.720 115.720 116.770 -1.050 18375 5525 1 10 . 1 1 15 15 GLN HA H 15 4.410 4.410 4.721 -0.311 18375 5526 1 10 . 1 1 15 15 GLN C C 15 176.310 176.310 176.884 -0.574 18375 5527 1 10 . 1 1 15 15 GLN CA C 15 55.570 55.570 54.723 0.847 18375 5528 1 10 . 1 1 15 15 GLN CB C 15 31.180 31.180 31.255 -0.075 18375 5529 1 10 . 1 1 15 15 GLN H H 15 7.170 7.170 8.146 -0.976 18375 5530 1 10 . 1 1 16 16 CYS N N 16 118.020 118.020 119.055 -1.035 18375 5531 1 10 . 1 1 16 16 CYS HA H 16 4.590 4.590 4.552 0.038 18375 5532 1 10 . 1 1 16 16 CYS C C 16 176.730 176.730 176.973 -0.243 18375 5533 1 10 . 1 1 16 16 CYS CA C 16 61.050 61.050 61.758 -0.708 18375 5534 1 10 . 1 1 16 16 CYS CB C 16 28.600 28.600 27.773 0.827 18375 5535 1 10 . 1 1 16 16 CYS H H 16 9.300 9.300 8.893 0.407 18375 5536 1 10 . 1 1 17 17 THR N N 17 113.910 113.910 110.827 3.083 18375 5537 1 10 . 1 1 17 17 THR HA H 17 3.180 3.180 4.307 -1.127 18375 5538 1 10 . 1 1 17 17 THR C C 17 174.260 174.260 174.236 0.024 18375 5539 1 10 . 1 1 17 17 THR CA C 17 62.800 62.800 63.172 -0.372 18375 5540 1 10 . 1 1 17 17 THR CB C 17 69.000 69.000 67.704 1.296 18375 5541 1 10 . 1 1 17 17 THR H H 17 7.300 7.300 8.152 -0.852 18375 5542 1 10 . 1 1 18 18 TRP N N 18 123.650 123.650 122.248 1.402 18375 5543 1 10 . 1 1 18 18 TRP HA H 18 4.380 4.380 4.675 -0.295 18375 5544 1 10 . 1 1 18 18 TRP C C 18 177.910 177.910 177.103 0.807 18375 5545 1 10 . 1 1 18 18 TRP CA C 18 61.600 61.600 60.198 1.402 18375 5546 1 10 . 1 1 18 18 TRP CB C 18 31.320 31.320 30.878 0.442 18375 5547 1 10 . 1 1 18 18 TRP H H 18 6.640 6.640 7.396 -0.756 18375 5548 1 10 . 1 1 19 19 TYR N N 19 115.660 115.660 121.083 -5.423 18375 5549 1 10 . 1 1 19 19 TYR HA H 19 4.120 4.120 4.127 -0.007 18375 5550 1 10 . 1 1 19 19 TYR C C 19 177.170 177.170 177.487 -0.317 18375 5551 1 10 . 1 1 19 19 TYR CA C 19 61.370 61.370 61.959 -0.589 18375 5552 1 10 . 1 1 19 19 TYR CB C 19 42.110 42.110 38.998 3.112 18375 5553 1 10 . 1 1 19 19 TYR H H 19 7.680 7.680 9.096 -1.416 18375 5554 1 10 . 1 1 20 20 VAL N N 20 116.740 116.740 118.192 -1.452 18375 5555 1 10 . 1 1 20 20 VAL HA H 20 3.030 3.030 3.611 -0.581 18375 5556 1 10 . 1 1 20 20 VAL C C 20 176.410 176.410 178.102 -1.692 18375 5557 1 10 . 1 1 20 20 VAL CA C 20 68.360 68.360 66.945 1.415 18375 5558 1 10 . 1 1 20 20 VAL CB C 20 32.210 32.210 31.301 0.909 18375 5559 1 10 . 1 1 20 20 VAL H H 20 7.450 7.450 7.735 -0.285 18375 5560 1 10 . 1 1 21 21 TYR N N 21 118.550 118.550 120.195 -1.645 18375 5561 1 10 . 1 1 21 21 TYR HA H 21 3.560 3.560 4.353 -0.793 18375 5562 1 10 . 1 1 21 21 TYR C C 21 176.490 176.490 176.939 -0.449 18375 5563 1 10 . 1 1 21 21 TYR CA C 21 63.990 63.990 60.806 3.184 18375 5564 1 10 . 1 1 21 21 TYR CB C 21 38.970 38.970 38.461 0.510 18375 5565 1 10 . 1 1 21 21 TYR H H 21 8.370 8.370 8.142 0.228 18375 5566 1 10 . 1 1 22 22 ASP N N 22 115.760 115.760 118.661 -2.901 18375 5567 1 10 . 1 1 22 22 ASP HA H 22 4.260 4.260 4.069 0.191 18375 5568 1 10 . 1 1 22 22 ASP C C 22 169.690 169.690 178.947 -9.257 18375 5569 1 10 . 1 1 22 22 ASP CA C 22 58.010 58.010 57.126 0.884 18375 5570 1 10 . 1 1 22 22 ASP CB C 22 41.770 41.770 40.507 1.263 18375 5571 1 10 . 1 1 22 22 ASP H H 22 6.880 6.880 7.770 -0.890 18375 5572 1 10 . 1 1 23 23 LYS N N 23 121.790 121.790 118.336 3.454 18375 5573 1 10 . 1 1 23 23 LYS HA H 23 3.610 3.610 3.746 -0.136 18375 5574 1 10 . 1 1 23 23 LYS C C 23 178.360 178.360 177.569 0.791 18375 5575 1 10 . 1 1 23 23 LYS CA C 23 57.990 57.990 57.717 0.274 18375 5576 1 10 . 1 1 23 23 LYS CB C 23 31.350 31.350 31.448 -0.097 18375 5577 1 10 . 1 1 23 23 LYS H H 23 7.820 7.820 7.911 -0.091 18375 5578 1 10 . 1 1 24 24 VAL N N 24 108.790 108.790 109.118 -0.328 18375 5579 1 10 . 1 1 24 24 VAL HA H 24 4.390 4.390 4.297 0.093 18375 5580 1 10 . 1 1 24 24 VAL C C 24 176.840 176.840 176.029 0.811 18375 5581 1 10 . 1 1 24 24 VAL CA C 24 61.430 61.430 60.883 0.547 18375 5582 1 10 . 1 1 24 24 VAL CB C 24 31.690 31.690 31.392 0.298 18375 5583 1 10 . 1 1 24 24 VAL H H 24 7.590 7.590 6.839 0.751 18375 5584 1 10 . 1 1 25 25 GLY N N 25 110.620 110.620 109.454 1.166 18375 5585 1 10 . 1 1 25 25 GLY C C 25 175.510 175.510 175.052 0.458 18375 5586 1 10 . 1 1 25 25 GLY CA C 25 47.110 47.110 45.572 1.538 18375 5587 1 10 . 1 1 25 25 GLY H H 25 7.680 7.680 8.074 -0.394 18375 5588 1 10 . 1 1 26 26 GLY N N 26 122.410 122.410 106.879 15.531 18375 5589 1 10 . 1 1 26 26 GLY C C 26 174.470 174.470 174.612 -0.142 18375 5590 1 10 . 1 1 26 26 GLY CA C 26 46.440 46.440 44.622 1.818 18375 5591 1 10 . 1 1 26 26 GLY H H 26 7.870 7.870 7.704 0.166 18375 5592 1 10 . 1 1 27 27 GLU N N 27 116.720 116.720 119.676 -2.956 18375 5593 1 10 . 1 1 27 27 GLU HA H 27 4.150 4.150 4.031 0.119 18375 5594 1 10 . 1 1 27 27 GLU C C 27 175.810 175.810 175.857 -0.047 18375 5595 1 10 . 1 1 27 27 GLU CA C 27 58.110 58.110 58.144 -0.034 18375 5596 1 10 . 1 1 27 27 GLU CB C 27 30.500 30.500 30.163 0.338 18375 5597 1 10 . 1 1 27 27 GLU H H 27 6.650 6.650 7.638 -0.988 18375 5598 1 10 . 1 1 28 28 ILE N N 28 125.210 125.210 117.480 7.730 18375 5599 1 10 . 1 1 28 28 ILE HA H 28 4.040 4.040 4.324 -0.284 18375 5600 1 10 . 1 1 28 28 ILE CA C 28 60.160 60.160 60.109 0.051 18375 5601 1 10 . 1 1 28 28 ILE CB C 28 40.940 40.940 39.090 1.850 18375 5602 1 10 . 1 1 28 28 ILE H H 28 6.330 6.330 7.479 -1.149 18375 5603 1 10 . 1 1 29 29 GLY C C 29 174.050 174.050 174.133 -0.083 18375 5604 1 10 . 1 1 29 29 GLY CA C 29 46.190 46.190 44.512 1.678 18375 5605 1 10 . 1 1 30 30 SER N N 30 115.530 115.530 114.205 1.325 18375 5606 1 10 . 1 1 30 30 SER HA H 30 4.140 4.140 3.331 0.809 18375 5607 1 10 . 1 1 30 30 SER C C 30 174.000 174.000 174.505 -0.505 18375 5608 1 10 . 1 1 30 30 SER CA C 30 60.180 60.180 60.701 -0.521 18375 5609 1 10 . 1 1 30 30 SER CB C 30 65.150 65.150 61.056 4.094 18375 5610 1 10 . 1 1 30 30 SER H H 30 8.540 8.540 7.215 1.325 18375 5611 1 10 . 1 1 31 31 THR N N 31 124.440 124.440 117.942 6.498 18375 5612 1 10 . 1 1 31 31 THR HA H 31 4.460 4.460 4.407 0.053 18375 5613 1 10 . 1 1 31 31 THR C C 31 175.390 175.390 174.063 1.327 18375 5614 1 10 . 1 1 31 31 THR CA C 31 61.350 61.350 61.672 -0.322 18375 5615 1 10 . 1 1 31 31 THR CB C 31 69.190 69.190 68.691 0.499 18375 5616 1 10 . 1 1 31 31 THR H H 31 7.070 7.070 8.168 -1.098 18375 5617 1 10 . 1 1 32 32 TRP N N 32 121.120 121.120 118.595 2.525 18375 5618 1 10 . 1 1 32 32 TRP HA H 32 4.470 4.470 4.472 -0.002 18375 5619 1 10 . 1 1 32 32 TRP C C 32 175.720 175.720 176.242 -0.522 18375 5620 1 10 . 1 1 32 32 TRP CA C 32 57.500 57.500 54.242 3.258 18375 5621 1 10 . 1 1 32 32 TRP CB C 32 28.670 28.670 27.922 0.748 18375 5622 1 10 . 1 1 32 32 TRP H H 32 7.750 7.750 7.120 0.630 18375 5623 1 10 . 1 1 33 33 GLY N N 33 125.330 125.330 109.961 15.369 18375 5624 1 10 . 1 1 33 33 GLY C C 33 175.520 175.520 173.668 1.852 18375 5625 1 10 . 1 1 33 33 GLY CA C 33 46.390 46.390 45.846 0.544 18375 5626 1 10 . 1 1 33 33 GLY H H 33 8.580 8.580 7.772 0.808 18375 5627 1 10 . 1 1 34 34 ASN N N 34 118.870 118.870 121.448 -2.578 18375 5628 1 10 . 1 1 34 34 ASN HA H 34 4.720 4.720 5.293 -0.573 18375 5629 1 10 . 1 1 34 34 ASN C C 34 175.710 175.710 175.497 0.213 18375 5630 1 10 . 1 1 34 34 ASN CA C 34 54.630 54.630 52.134 2.496 18375 5631 1 10 . 1 1 34 34 ASN CB C 34 40.050 40.050 41.639 -1.589 18375 5632 1 10 . 1 1 34 34 ASN H H 34 8.780 8.780 8.285 0.495 18375 5633 1 10 . 1 1 35 35 ALA N N 35 121.960 121.960 121.662 0.298 18375 5634 1 10 . 1 1 35 35 ALA HA H 35 2.920 2.920 3.515 -0.595 18375 5635 1 10 . 1 1 35 35 ALA C C 35 169.710 169.710 178.962 -9.252 18375 5636 1 10 . 1 1 35 35 ALA CA C 35 55.950 55.950 55.014 0.936 18375 5637 1 10 . 1 1 35 35 ALA CB C 35 20.460 20.460 18.531 1.929 18375 5638 1 10 . 1 1 35 35 ALA H H 35 8.750 8.750 8.789 -0.039 18375 5639 1 10 . 1 1 36 36 ASN N N 36 114.940 114.940 116.699 -1.759 18375 5640 1 10 . 1 1 36 36 ASN HA H 36 4.170 4.170 4.640 -0.470 18375 5641 1 10 . 1 1 36 36 ASN C C 36 175.200 175.200 176.253 -1.053 18375 5642 1 10 . 1 1 36 36 ASN CA C 36 55.930 55.930 55.304 0.626 18375 5643 1 10 . 1 1 36 36 ASN CB C 36 36.690 36.690 38.830 -2.140 18375 5644 1 10 . 1 1 36 36 ASN H H 36 8.410 8.410 8.156 0.254 18375 5645 1 10 . 1 1 37 37 ASN N N 37 120.180 120.180 118.808 1.372 18375 5646 1 10 . 1 1 37 37 ASN HA H 37 5.060 5.060 4.758 0.302 18375 5647 1 10 . 1 1 37 37 ASN C C 37 176.530 176.530 176.925 -0.395 18375 5648 1 10 . 1 1 37 37 ASN CA C 37 54.250 54.250 54.108 0.142 18375 5649 1 10 . 1 1 37 37 ASN CB C 37 41.720 41.720 38.739 2.981 18375 5650 1 10 . 1 1 37 37 ASN H H 37 8.850 8.850 7.724 1.126 18375 5651 1 10 . 1 1 38 38 TRP N N 38 118.410 118.410 122.845 -4.435 18375 5652 1 10 . 1 1 38 38 TRP HA H 38 4.190 4.190 4.332 -0.142 18375 5653 1 10 . 1 1 38 38 TRP C C 38 177.390 177.390 178.171 -0.781 18375 5654 1 10 . 1 1 38 38 TRP CA C 38 63.450 63.450 62.188 1.262 18375 5655 1 10 . 1 1 38 38 TRP CB C 38 29.680 29.680 28.673 1.007 18375 5656 1 10 . 1 1 38 38 TRP H H 38 8.240 8.240 7.821 0.419 18375 5657 1 10 . 1 1 39 39 ALA N N 39 118.400 118.400 119.013 -0.613 18375 5658 1 10 . 1 1 39 39 ALA HA H 39 3.770 3.770 4.030 -0.260 18375 5659 1 10 . 1 1 39 39 ALA C C 39 178.580 178.580 179.716 -1.136 18375 5660 1 10 . 1 1 39 39 ALA CA C 39 56.760 56.760 55.246 1.514 18375 5661 1 10 . 1 1 39 39 ALA CB C 39 18.020 18.020 17.792 0.228 18375 5662 1 10 . 1 1 39 39 ALA H H 39 7.150 7.150 8.862 -1.712 18375 5663 1 10 . 1 1 40 40 ALA N N 40 121.830 121.830 121.320 0.510 18375 5664 1 10 . 1 1 40 40 ALA HA H 40 3.990 3.990 4.181 -0.191 18375 5665 1 10 . 1 1 40 40 ALA C C 40 171.320 171.320 179.512 -8.192 18375 5666 1 10 . 1 1 40 40 ALA CA C 40 55.610 55.610 54.529 1.081 18375 5667 1 10 . 1 1 40 40 ALA CB C 40 18.840 18.840 18.463 0.377 18375 5668 1 10 . 1 1 40 40 ALA H H 40 8.060 8.060 7.527 0.533 18375 5669 1 10 . 1 1 41 41 ALA N N 41 122.200 122.200 121.020 1.180 18375 5670 1 10 . 1 1 41 41 ALA HA H 41 3.630 3.630 3.908 -0.278 18375 5671 1 10 . 1 1 41 41 ALA C C 41 170.110 170.110 179.050 -8.940 18375 5672 1 10 . 1 1 41 41 ALA CA C 41 55.240 55.240 54.833 0.407 18375 5673 1 10 . 1 1 41 41 ALA CB C 41 18.020 18.020 18.690 -0.670 18375 5674 1 10 . 1 1 41 41 ALA H H 41 8.250 8.250 8.480 -0.230 18375 5675 1 10 . 1 1 42 42 ALA N N 42 119.600 119.600 120.534 -0.934 18375 5676 1 10 . 1 1 42 42 ALA HA H 42 3.270 3.270 3.069 0.201 18375 5677 1 10 . 1 1 42 42 ALA C C 42 170.160 170.160 179.688 -9.528 18375 5678 1 10 . 1 1 42 42 ALA CA C 42 55.480 55.480 54.644 0.836 18375 5679 1 10 . 1 1 42 42 ALA CB C 42 19.890 19.890 17.825 2.065 18375 5680 1 10 . 1 1 42 42 ALA H H 42 7.710 7.710 8.684 -0.974 18375 5681 1 10 . 1 1 43 43 GLN N N 43 118.750 118.750 118.635 0.115 18375 5682 1 10 . 1 1 43 43 GLN HA H 43 4.340 4.340 4.240 0.100 18375 5683 1 10 . 1 1 43 43 GLN C C 43 170.980 170.980 179.074 -8.094 18375 5684 1 10 . 1 1 43 43 GLN CA C 43 60.200 60.200 58.180 2.020 18375 5685 1 10 . 1 1 43 43 GLN CB C 43 29.710 29.710 28.965 0.745 18375 5686 1 10 . 1 1 43 43 GLN H H 43 7.880 7.880 7.683 0.197 18375 5687 1 10 . 1 1 44 44 GLY N N 44 125.760 125.760 106.539 19.221 18375 5688 1 10 . 1 1 44 44 GLY C C 44 174.300 174.300 175.053 -0.753 18375 5689 1 10 . 1 1 44 44 GLY CA C 44 47.660 47.660 46.325 1.335 18375 5690 1 10 . 1 1 44 44 GLY H H 44 8.010 8.010 8.084 -0.074 18375 5691 1 10 . 1 1 45 45 ALA N N 45 121.480 121.480 122.613 -1.133 18375 5692 1 10 . 1 1 45 45 ALA HA H 45 4.620 4.620 4.188 0.432 18375 5693 1 10 . 1 1 45 45 ALA C C 45 177.190 177.190 177.607 -0.417 18375 5694 1 10 . 1 1 45 45 ALA CA C 45 52.680 52.680 52.632 0.048 18375 5695 1 10 . 1 1 45 45 ALA CB C 45 20.560 20.560 19.863 0.697 18375 5696 1 10 . 1 1 45 45 ALA H H 45 7.540 7.540 7.566 -0.026 18375 5697 1 10 . 1 1 46 46 GLY N N 46 123.690 123.690 105.738 17.952 18375 5698 1 10 . 1 1 46 46 GLY C C 46 174.980 174.980 173.865 1.115 18375 5699 1 10 . 1 1 46 46 GLY CA C 46 46.540 46.540 44.805 1.735 18375 5700 1 10 . 1 1 46 46 GLY H H 46 7.680 7.680 7.900 -0.220 18375 5701 1 10 . 1 1 47 47 PHE N N 47 119.960 119.960 118.775 1.185 18375 5702 1 10 . 1 1 47 47 PHE HA H 47 4.620 4.620 4.950 -0.330 18375 5703 1 10 . 1 1 47 47 PHE C C 47 176.120 176.120 175.903 0.217 18375 5704 1 10 . 1 1 47 47 PHE CA C 47 59.000 59.000 54.708 4.293 18375 5705 1 10 . 1 1 47 47 PHE CB C 47 40.350 40.350 40.276 0.074 18375 5706 1 10 . 1 1 47 47 PHE H H 47 8.280 8.280 8.267 0.013 18375 5707 1 10 . 1 1 48 48 THR N N 48 120.680 120.680 118.733 1.947 18375 5708 1 10 . 1 1 48 48 THR HA H 48 4.190 4.190 4.654 -0.464 18375 5709 1 10 . 1 1 48 48 THR C C 48 173.000 173.000 173.171 -0.171 18375 5710 1 10 . 1 1 48 48 THR CA C 48 65.150 65.150 61.829 3.321 18375 5711 1 10 . 1 1 48 48 THR CB C 48 70.530 70.530 69.540 0.990 18375 5712 1 10 . 1 1 48 48 THR H H 48 9.260 9.260 8.952 0.308 18375 5713 1 10 . 1 1 49 49 VAL N N 49 111.320 111.320 125.090 -13.770 18375 5714 1 10 . 1 1 49 49 VAL HA H 49 5.380 5.380 5.238 0.142 18375 5715 1 10 . 1 1 49 49 VAL C C 49 175.570 175.570 174.286 1.284 18375 5716 1 10 . 1 1 49 49 VAL CA C 49 61.510 61.510 59.511 1.999 18375 5717 1 10 . 1 1 49 49 VAL CB C 49 34.960 34.960 34.564 0.396 18375 5718 1 10 . 1 1 49 49 VAL H H 49 8.560 8.560 8.625 -0.065 18375 5719 1 10 . 1 1 50 50 ASN N N 50 125.000 125.000 125.040 -0.040 18375 5720 1 10 . 1 1 50 50 ASN HA H 50 4.800 4.800 5.175 -0.374 18375 5721 1 10 . 1 1 50 50 ASN C C 50 174.270 174.270 173.569 0.701 18375 5722 1 10 . 1 1 50 50 ASN CA C 50 53.430 53.430 52.681 0.749 18375 5723 1 10 . 1 1 50 50 ASN CB C 50 39.100 39.100 41.731 -2.631 18375 5724 1 10 . 1 1 50 50 ASN H H 50 9.010 9.010 8.749 0.261 18375 5725 1 10 . 1 1 51 51 HIS N N 51 114.650 114.650 115.552 -0.902 18375 5726 1 10 . 1 1 51 51 HIS HA H 51 5.760 5.760 4.848 0.912 18375 5727 1 10 . 1 1 51 51 HIS C C 51 174.060 174.060 172.945 1.115 18375 5728 1 10 . 1 1 51 51 HIS CA C 51 56.360 56.360 55.692 0.668 18375 5729 1 10 . 1 1 51 51 HIS CB C 51 29.980 29.980 30.148 -0.168 18375 5730 1 10 . 1 1 51 51 HIS H H 51 8.550 8.550 8.248 0.302 18375 5731 1 10 . 1 1 52 52 THR N N 52 119.910 119.910 118.141 1.769 18375 5732 1 10 . 1 1 52 52 THR HA H 52 4.600 4.600 4.489 0.111 18375 5733 1 10 . 1 1 52 52 THR CA C 52 60.140 60.140 59.263 0.877 18375 5734 1 10 . 1 1 52 52 THR CB C 52 71.890 71.890 70.769 1.121 18375 5735 1 10 . 1 1 52 52 THR H H 52 8.500 8.500 7.130 1.370 18375 5736 1 10 . 1 1 53 53 PRO HA H 53 2.920 2.920 4.326 -1.406 18375 5737 1 10 . 1 1 53 53 PRO C C 53 175.410 175.410 175.386 0.024 18375 5738 1 10 . 1 1 53 53 PRO CA C 53 62.460 62.460 63.099 -0.639 18375 5739 1 10 . 1 1 53 53 PRO CB C 53 33.410 33.410 32.309 1.101 18375 5740 1 10 . 1 1 54 54 SER N N 54 108.990 108.990 115.707 -6.717 18375 5741 1 10 . 1 1 54 54 SER HA H 54 4.300 4.300 4.593 -0.293 18375 5742 1 10 . 1 1 54 54 SER C C 54 172.380 172.380 173.178 -0.798 18375 5743 1 10 . 1 1 54 54 SER CA C 54 58.270 58.270 56.558 1.712 18375 5744 1 10 . 1 1 54 54 SER CB C 54 66.620 66.620 65.747 0.873 18375 5745 1 10 . 1 1 54 54 SER H H 54 6.000 6.000 7.962 -1.962 18375 5746 1 10 . 1 1 55 55 LYS N N 55 124.470 124.470 125.775 -1.305 18375 5747 1 10 . 1 1 55 55 LYS HA H 55 3.500 3.500 3.839 -0.339 18375 5748 1 10 . 1 1 55 55 LYS C C 55 177.150 177.150 177.169 -0.019 18375 5749 1 10 . 1 1 55 55 LYS CA C 55 59.850 59.850 58.002 1.847 18375 5750 1 10 . 1 1 55 55 LYS CB C 55 33.010 33.010 31.820 1.190 18375 5751 1 10 . 1 1 55 55 LYS H H 55 8.860 8.860 8.835 0.025 18375 5752 1 10 . 1 1 56 56 GLY N N 56 116.710 116.710 114.308 2.402 18375 5753 1 10 . 1 1 56 56 GLY C C 56 173.430 173.430 173.560 -0.130 18375 5754 1 10 . 1 1 56 56 GLY CA C 56 45.600 45.600 44.550 1.050 18375 5755 1 10 . 1 1 56 56 GLY H H 56 8.950 8.950 8.396 0.554 18375 5756 1 10 . 1 1 57 57 ALA N N 57 118.940 118.940 122.891 -3.951 18375 5757 1 10 . 1 1 57 57 ALA HA H 57 4.630 4.630 4.519 0.111 18375 5758 1 10 . 1 1 57 57 ALA C C 57 174.570 174.570 175.389 -0.819 18375 5759 1 10 . 1 1 57 57 ALA CA C 57 51.840 51.840 50.940 0.900 18375 5760 1 10 . 1 1 57 57 ALA CB C 57 20.960 20.960 21.104 -0.144 18375 5761 1 10 . 1 1 57 57 ALA H H 57 7.420 7.420 7.790 -0.370 18375 5762 1 10 . 1 1 58 58 ILE N N 58 117.340 117.340 117.215 0.125 18375 5763 1 10 . 1 1 58 58 ILE HA H 58 4.720 4.720 4.567 0.153 18375 5764 1 10 . 1 1 58 58 ILE C C 58 176.920 176.920 174.553 2.367 18375 5765 1 10 . 1 1 58 58 ILE CA C 58 60.910 60.910 60.062 0.848 18375 5766 1 10 . 1 1 58 58 ILE CB C 58 41.820 41.820 41.821 -0.001 18375 5767 1 10 . 1 1 58 58 ILE H H 58 8.350 8.350 8.302 0.048 18375 5768 1 10 . 1 1 59 59 LEU N N 59 112.330 112.330 126.562 -14.232 18375 5769 1 10 . 1 1 59 59 LEU HA H 59 4.220 4.220 4.602 -0.382 18375 5770 1 10 . 1 1 59 59 LEU C C 59 174.530 174.530 175.129 -0.599 18375 5771 1 10 . 1 1 59 59 LEU CA C 59 56.430 56.430 54.898 1.532 18375 5772 1 10 . 1 1 59 59 LEU CB C 59 44.160 44.160 43.291 0.869 18375 5773 1 10 . 1 1 59 59 LEU H H 59 8.430 8.430 8.872 -0.442 18375 5774 1 10 . 1 1 60 60 GLN N N 60 111.170 111.170 125.182 -14.012 18375 5775 1 10 . 1 1 60 60 GLN HA H 60 4.970 4.970 5.215 -0.245 18375 5776 1 10 . 1 1 60 60 GLN C C 60 172.980 172.980 173.801 -0.821 18375 5777 1 10 . 1 1 60 60 GLN CA C 60 56.720 56.720 54.397 2.323 18375 5778 1 10 . 1 1 60 60 GLN CB C 60 30.950 30.950 33.396 -2.446 18375 5779 1 10 . 1 1 60 60 GLN H H 60 9.490 9.490 8.658 0.832 18375 5780 1 10 . 1 1 61 61 SER N N 61 118.550 118.550 118.479 0.071 18375 5781 1 10 . 1 1 61 61 SER HA H 61 4.940 4.940 4.954 -0.014 18375 5782 1 10 . 1 1 61 61 SER C C 61 174.370 174.370 174.025 0.345 18375 5783 1 10 . 1 1 61 61 SER CA C 61 56.570 56.570 56.706 -0.136 18375 5784 1 10 . 1 1 61 61 SER CB C 61 67.130 67.130 64.616 2.514 18375 5785 1 10 . 1 1 61 61 SER H H 61 8.800 8.800 8.499 0.301 18375 5786 1 10 . 1 1 62 62 SER N N 62 120.910 120.910 121.343 -0.433 18375 5787 1 10 . 1 1 62 62 SER HA H 62 4.540 4.540 4.447 0.093 18375 5788 1 10 . 1 1 62 62 SER C C 62 173.560 173.560 174.519 -0.959 18375 5789 1 10 . 1 1 62 62 SER CA C 62 59.270 59.270 59.300 -0.030 18375 5790 1 10 . 1 1 62 62 SER CB C 62 64.390 64.390 63.768 0.622 18375 5791 1 10 . 1 1 62 62 SER H H 62 8.900 8.900 8.839 0.061 18375 5792 1 10 . 1 1 63 63 GLU N N 63 121.810 121.810 123.044 -1.234 18375 5793 1 10 . 1 1 63 63 GLU HA H 63 4.220 4.220 4.328 -0.108 18375 5794 1 10 . 1 1 63 63 GLU C C 63 176.030 176.030 176.076 -0.046 18375 5795 1 10 . 1 1 63 63 GLU CA C 63 57.840 57.840 56.516 1.324 18375 5796 1 10 . 1 1 63 63 GLU CB C 63 32.170 32.170 29.846 2.324 18375 5797 1 10 . 1 1 63 63 GLU H H 63 8.040 8.040 7.333 0.707 18375 5798 1 10 . 1 1 64 64 GLY N N 64 125.900 125.900 112.901 12.999 18375 5799 1 10 . 1 1 64 64 GLY CA C 64 45.490 45.490 44.542 0.948 18375 5800 1 10 . 1 1 64 64 GLY H H 64 8.200 8.200 7.791 0.409 18375 5801 1 10 . 1 1 65 65 PRO HA H 65 4.040 4.040 4.260 -0.220 18375 5802 1 10 . 1 1 65 65 PRO C C 65 177.870 177.870 176.526 1.344 18375 5803 1 10 . 1 1 65 65 PRO CA C 65 65.610 65.610 64.534 1.076 18375 5804 1 10 . 1 1 65 65 PRO CB C 65 32.160 32.160 32.031 0.129 18375 5805 1 10 . 1 1 66 66 PHE N N 66 112.970 112.970 117.345 -4.375 18375 5806 1 10 . 1 1 66 66 PHE HA H 66 4.920 4.920 4.724 0.196 18375 5807 1 10 . 1 1 66 66 PHE C C 66 176.190 176.190 175.675 0.515 18375 5808 1 10 . 1 1 66 66 PHE CA C 66 57.420 57.420 57.312 0.108 18375 5809 1 10 . 1 1 66 66 PHE CB C 66 42.360 42.360 39.309 3.051 18375 5810 1 10 . 1 1 66 66 PHE H H 66 8.490 8.490 8.209 0.281 18375 5811 1 10 . 1 1 67 67 GLY N N 67 124.370 124.370 108.238 16.132 18375 5812 1 10 . 1 1 67 67 GLY C C 67 172.480 172.480 172.507 -0.027 18375 5813 1 10 . 1 1 67 67 GLY CA C 67 46.860 46.860 45.008 1.852 18375 5814 1 10 . 1 1 67 67 GLY H H 67 6.940 6.940 7.600 -0.660 18375 5815 1 10 . 1 1 68 68 HIS N N 68 117.820 117.820 119.689 -1.869 18375 5816 1 10 . 1 1 68 68 HIS HA H 68 5.020 5.020 4.632 0.388 18375 5817 1 10 . 1 1 68 68 HIS C C 68 173.790 173.790 172.447 1.343 18375 5818 1 10 . 1 1 68 68 HIS CA C 68 58.230 58.230 55.075 3.155 18375 5819 1 10 . 1 1 68 68 HIS CB C 68 36.120 36.120 31.630 4.490 18375 5820 1 10 . 1 1 68 68 HIS H H 68 8.590 8.590 8.008 0.582 18375 5821 1 10 . 1 1 69 69 VAL N N 69 116.830 116.830 122.090 -5.260 18375 5822 1 10 . 1 1 69 69 VAL HA H 69 5.320 5.320 5.004 0.316 18375 5823 1 10 . 1 1 69 69 VAL C C 69 173.060 173.060 173.154 -0.094 18375 5824 1 10 . 1 1 69 69 VAL CA C 69 58.940 58.940 58.788 0.152 18375 5825 1 10 . 1 1 69 69 VAL CB C 69 37.700 37.700 33.548 4.152 18375 5826 1 10 . 1 1 69 69 VAL H H 69 6.040 6.040 7.869 -1.829 18375 5827 1 10 . 1 1 70 70 ALA N N 70 120.820 120.820 127.122 -6.302 18375 5828 1 10 . 1 1 70 70 ALA HA H 70 4.510 4.510 4.616 -0.106 18375 5829 1 10 . 1 1 70 70 ALA C C 70 173.870 173.870 175.168 -1.298 18375 5830 1 10 . 1 1 70 70 ALA CA C 70 51.560 51.560 50.948 0.612 18375 5831 1 10 . 1 1 70 70 ALA CB C 70 26.390 26.390 22.271 4.119 18375 5832 1 10 . 1 1 70 70 ALA H H 70 8.890 8.890 8.286 0.604 18375 5833 1 10 . 1 1 71 71 TYR N N 71 121.640 121.640 126.229 -4.589 18375 5834 1 10 . 1 1 71 71 TYR HA H 71 4.890 4.890 4.433 0.457 18375 5835 1 10 . 1 1 71 71 TYR C C 71 174.620 174.620 174.154 0.466 18375 5836 1 10 . 1 1 71 71 TYR CA C 71 58.140 58.140 58.531 -0.391 18375 5837 1 10 . 1 1 71 71 TYR CB C 71 42.850 42.850 39.556 3.294 18375 5838 1 10 . 1 1 71 71 TYR H H 71 9.310 9.310 8.262 1.048 18375 5839 1 10 . 1 1 72 72 VAL N N 72 126.010 126.010 128.116 -2.106 18375 5840 1 10 . 1 1 72 72 VAL HA H 72 3.880 3.880 3.867 0.013 18375 5841 1 10 . 1 1 72 72 VAL C C 72 174.250 174.250 175.792 -1.542 18375 5842 1 10 . 1 1 72 72 VAL CA C 72 64.970 64.970 62.316 2.654 18375 5843 1 10 . 1 1 72 72 VAL CB C 72 31.470 31.470 30.612 0.858 18375 5844 1 10 . 1 1 72 72 VAL H H 72 8.230 8.230 8.361 -0.131 18375 5845 1 10 . 1 1 73 73 GLU N N 73 112.690 112.690 129.159 -16.469 18375 5846 1 10 . 1 1 73 73 GLU HA H 73 4.250 4.250 4.256 -0.006 18375 5847 1 10 . 1 1 73 73 GLU C C 73 178.020 178.020 176.320 1.700 18375 5848 1 10 . 1 1 73 73 GLU CA C 73 58.400 58.400 58.051 0.349 18375 5849 1 10 . 1 1 73 73 GLU CB C 73 31.050 31.050 30.805 0.245 18375 5850 1 10 . 1 1 73 73 GLU H H 73 8.820 8.820 8.554 0.266 18375 5851 1 10 . 1 1 74 74 SER N N 74 125.880 125.880 110.511 15.369 18375 5852 1 10 . 1 1 74 74 SER HA H 74 4.330 4.330 4.462 -0.132 18375 5853 1 10 . 1 1 74 74 SER C C 74 172.030 172.030 171.703 0.327 18375 5854 1 10 . 1 1 74 74 SER CA C 74 59.220 59.220 57.776 1.444 18375 5855 1 10 . 1 1 74 74 SER CB C 74 65.620 65.620 63.986 1.634 18375 5856 1 10 . 1 1 74 74 SER H H 74 7.900 7.900 7.834 0.066 18375 5857 1 10 . 1 1 75 75 VAL N N 75 122.760 122.760 121.817 0.943 18375 5858 1 10 . 1 1 75 75 VAL HA H 75 4.320 4.320 4.197 0.123 18375 5859 1 10 . 1 1 75 75 VAL C C 75 176.270 176.270 175.468 0.802 18375 5860 1 10 . 1 1 75 75 VAL CA C 75 63.380 63.380 60.913 2.467 18375 5861 1 10 . 1 1 75 75 VAL CB C 75 32.750 32.750 32.166 0.584 18375 5862 1 10 . 1 1 75 75 VAL H H 75 8.400 8.400 8.360 0.040 18375 5863 1 10 . 1 1 76 76 ASN N N 76 125.270 125.270 125.967 -0.697 18375 5864 1 10 . 1 1 76 76 ASN HA H 76 4.790 4.790 4.819 -0.029 18375 5865 1 10 . 1 1 76 76 ASN CA C 76 54.260 54.260 52.842 1.419 18375 5866 1 10 . 1 1 76 76 ASN CB C 76 39.960 39.960 39.629 0.331 18375 5867 1 10 . 1 1 76 76 ASN H H 76 9.080 9.080 8.919 0.161 18375 5868 1 10 . 1 1 77 77 SER HA H 77 4.130 4.130 4.409 -0.279 18375 5869 1 10 . 1 1 77 77 SER C C 77 174.410 174.410 174.814 -0.404 18375 5870 1 10 . 1 1 77 77 SER CA C 77 62.670 62.670 60.407 2.263 18375 5871 1 10 . 1 1 77 77 SER CB C 77 63.600 63.600 62.777 0.823 18375 5872 1 10 . 1 1 78 78 ASP N N 78 118.590 118.590 119.527 -0.937 18375 5873 1 10 . 1 1 78 78 ASP HA H 78 4.580 4.580 4.693 -0.113 18375 5874 1 10 . 1 1 78 78 ASP C C 78 176.790 176.790 176.952 -0.162 18375 5875 1 10 . 1 1 78 78 ASP CA C 78 53.960 53.960 54.326 -0.366 18375 5876 1 10 . 1 1 78 78 ASP CB C 78 40.880 40.880 40.700 0.180 18375 5877 1 10 . 1 1 78 78 ASP H H 78 7.980 7.980 8.168 -0.188 18375 5878 1 10 . 1 1 79 79 GLY N N 79 109.220 109.220 106.470 2.750 18375 5879 1 10 . 1 1 79 79 GLY C C 79 173.470 173.470 173.330 0.140 18375 5880 1 10 . 1 1 79 79 GLY CA C 79 46.050 46.050 45.320 0.730 18375 5881 1 10 . 1 1 79 79 GLY H H 79 8.180 8.180 7.846 0.334 18375 5882 1 10 . 1 1 80 80 SER N N 80 114.200 114.200 116.507 -2.307 18375 5883 1 10 . 1 1 80 80 SER HA H 80 4.350 4.350 5.164 -0.814 18375 5884 1 10 . 1 1 80 80 SER C C 80 172.630 172.630 173.845 -1.215 18375 5885 1 10 . 1 1 80 80 SER CA C 80 59.580 59.580 57.307 2.273 18375 5886 1 10 . 1 1 80 80 SER CB C 80 65.710 65.710 64.759 0.951 18375 5887 1 10 . 1 1 80 80 SER H H 80 7.930 7.930 7.591 0.339 18375 5888 1 10 . 1 1 81 81 VAL N N 81 118.060 118.060 124.315 -6.255 18375 5889 1 10 . 1 1 81 81 VAL HA H 81 4.690 4.690 4.277 0.413 18375 5890 1 10 . 1 1 81 81 VAL C C 81 175.220 175.220 175.791 -0.571 18375 5891 1 10 . 1 1 81 81 VAL CA C 81 61.980 61.980 61.005 0.975 18375 5892 1 10 . 1 1 81 81 VAL CB C 81 36.810 36.810 32.828 3.982 18375 5893 1 10 . 1 1 81 81 VAL H H 81 8.820 8.820 9.105 -0.285 18375 5894 1 10 . 1 1 82 82 THR N N 82 125.170 125.170 124.558 0.612 18375 5895 1 10 . 1 1 82 82 THR HA H 82 5.190 5.190 4.662 0.528 18375 5896 1 10 . 1 1 82 82 THR C C 82 174.150 174.150 173.946 0.204 18375 5897 1 10 . 1 1 82 82 THR CA C 82 63.440 63.440 62.824 0.616 18375 5898 1 10 . 1 1 82 82 THR CB C 82 70.520 70.520 69.092 1.428 18375 5899 1 10 . 1 1 82 82 THR H H 82 9.020 9.020 8.874 0.146 18375 5900 1 10 . 1 1 83 83 ILE N N 83 120.970 120.970 122.438 -1.468 18375 5901 1 10 . 1 1 83 83 ILE HA H 83 5.640 5.640 5.114 0.526 18375 5902 1 10 . 1 1 83 83 ILE C C 83 175.030 175.030 173.848 1.182 18375 5903 1 10 . 1 1 83 83 ILE CA C 83 59.440 59.440 58.619 0.821 18375 5904 1 10 . 1 1 83 83 ILE CB C 83 42.170 42.170 41.893 0.277 18375 5905 1 10 . 1 1 83 83 ILE H H 83 9.280 9.280 7.862 1.418 18375 5906 1 10 . 1 1 84 84 SER N N 84 115.430 115.430 116.904 -1.474 18375 5907 1 10 . 1 1 84 84 SER HA H 84 5.590 5.590 4.923 0.667 18375 5908 1 10 . 1 1 84 84 SER C C 84 173.130 173.130 173.745 -0.615 18375 5909 1 10 . 1 1 84 84 SER CA C 84 58.050 58.050 57.161 0.889 18375 5910 1 10 . 1 1 84 84 SER CB C 84 67.140 67.140 64.385 2.755 18375 5911 1 10 . 1 1 84 84 SER H H 84 9.600 9.600 8.989 0.611 18375 5912 1 10 . 1 1 85 85 GLU N N 85 117.660 117.660 126.645 -8.985 18375 5913 1 10 . 1 1 85 85 GLU HA H 85 5.180 5.180 4.850 0.330 18375 5914 1 10 . 1 1 85 85 GLU C C 85 171.780 171.780 175.049 -3.269 18375 5915 1 10 . 1 1 85 85 GLU CA C 85 54.880 54.880 54.343 0.537 18375 5916 1 10 . 1 1 85 85 GLU CB C 85 33.540 33.540 30.075 3.466 18375 5917 1 10 . 1 1 85 85 GLU H H 85 8.800 8.800 8.100 0.700 18375 5918 1 10 . 1 1 86 86 MET N N 86 118.950 118.950 127.660 -8.710 18375 5919 1 10 . 1 1 86 86 MET HA H 86 5.250 5.250 4.125 1.125 18375 5920 1 10 . 1 1 86 86 MET C C 86 175.010 175.010 176.112 -1.102 18375 5921 1 10 . 1 1 86 86 MET CA C 86 53.880 53.880 57.153 -3.273 18375 5922 1 10 . 1 1 86 86 MET CB C 86 38.240 38.240 32.774 5.466 18375 5923 1 10 . 1 1 86 86 MET H H 86 8.490 8.490 8.684 -0.194 18375 5924 1 10 . 1 1 87 87 ASN N N 87 116.670 116.670 125.733 -9.063 18375 5925 1 10 . 1 1 87 87 ASN HA H 87 4.190 4.190 4.390 -0.200 18375 5926 1 10 . 1 1 87 87 ASN C C 87 174.810 174.810 174.947 -0.137 18375 5927 1 10 . 1 1 87 87 ASN CA C 87 54.520 54.520 55.955 -1.435 18375 5928 1 10 . 1 1 87 87 ASN CB C 87 39.330 39.330 37.633 1.697 18375 5929 1 10 . 1 1 87 87 ASN H H 87 8.250 8.250 9.235 -0.985 18375 5930 1 10 . 1 1 88 88 TYR N N 88 119.600 119.600 123.279 -3.679 18375 5931 1 10 . 1 1 88 88 TYR HA H 88 4.290 4.290 4.104 0.186 18375 5932 1 10 . 1 1 88 88 TYR C C 88 175.620 175.620 174.802 0.818 18375 5933 1 10 . 1 1 88 88 TYR CA C 88 60.720 60.720 59.056 1.664 18375 5934 1 10 . 1 1 88 88 TYR CB C 88 41.430 41.430 36.752 4.678 18375 5935 1 10 . 1 1 88 88 TYR H H 88 8.940 8.940 8.322 0.618 18375 5936 1 10 . 1 1 89 89 SER N N 89 113.120 113.120 114.007 -0.887 18375 5937 1 10 . 1 1 89 89 SER HA H 89 4.320 4.320 3.774 0.546 18375 5938 1 10 . 1 1 89 89 SER C C 89 174.860 174.860 173.735 1.125 18375 5939 1 10 . 1 1 89 89 SER CA C 89 58.690 58.690 59.419 -0.729 18375 5940 1 10 . 1 1 89 89 SER CB C 89 65.140 65.140 62.122 3.018 18375 5941 1 10 . 1 1 89 89 SER H H 89 8.060 8.060 8.666 -0.606 18375 5942 1 10 . 1 1 90 90 GLY N N 90 110.450 110.450 108.852 1.598 18375 5943 1 10 . 1 1 90 90 GLY C C 90 174.680 174.680 172.932 1.748 18375 5944 1 10 . 1 1 90 90 GLY CA C 90 45.950 45.950 45.566 0.384 18375 5945 1 10 . 1 1 90 90 GLY H H 90 8.180 8.180 8.665 -0.485 18375 5946 1 10 . 1 1 91 91 GLY N N 91 108.710 108.710 110.229 -1.519 18375 5947 1 10 . 1 1 91 91 GLY CA C 91 45.880 45.880 42.682 3.198 18375 5948 1 10 . 1 1 91 91 GLY H H 91 8.330 8.330 8.340 -0.010 18375 5949 1 10 . 1 1 92 92 PRO HA H 92 4.040 4.040 4.240 -0.200 18375 5950 1 10 . 1 1 92 92 PRO C C 92 177.930 177.930 176.374 1.556 18375 5951 1 10 . 1 1 92 92 PRO CA C 92 64.710 64.710 63.368 1.342 18375 5952 1 10 . 1 1 92 92 PRO CB C 92 32.690 32.690 31.852 0.838 18375 5953 1 10 . 1 1 93 93 PHE N N 93 113.220 113.220 119.267 -6.047 18375 5954 1 10 . 1 1 93 93 PHE HA H 93 4.480 4.480 4.069 0.411 18375 5955 1 10 . 1 1 93 93 PHE C C 93 174.490 174.490 176.100 -1.610 18375 5956 1 10 . 1 1 93 93 PHE CA C 93 62.890 62.890 59.624 3.266 18375 5957 1 10 . 1 1 93 93 PHE CB C 93 37.410 37.410 36.620 0.790 18375 5958 1 10 . 1 1 93 93 PHE H H 93 8.350 8.350 8.440 -0.090 18375 5959 1 10 . 1 1 94 94 SER N N 94 115.680 115.680 118.219 -2.539 18375 5960 1 10 . 1 1 94 94 SER HA H 94 4.620 4.620 4.426 0.194 18375 5961 1 10 . 1 1 94 94 SER C C 94 174.290 174.290 174.609 -0.319 18375 5962 1 10 . 1 1 94 94 SER CA C 94 59.150 59.150 58.403 0.747 18375 5963 1 10 . 1 1 94 94 SER CB C 94 64.690 64.690 62.934 1.756 18375 5964 1 10 . 1 1 94 94 SER H H 94 7.980 7.980 7.898 0.082 18375 5965 1 10 . 1 1 95 95 VAL N N 95 112.520 112.520 127.030 -14.510 18375 5966 1 10 . 1 1 95 95 VAL HA H 95 4.830 4.830 3.835 0.995 18375 5967 1 10 . 1 1 95 95 VAL C C 95 175.770 175.770 174.551 1.219 18375 5968 1 10 . 1 1 95 95 VAL CA C 95 62.520 62.520 61.873 0.647 18375 5969 1 10 . 1 1 95 95 VAL CB C 95 34.010 34.010 31.282 2.728 18375 5970 1 10 . 1 1 95 95 VAL H H 95 8.840 8.840 8.074 0.766 18375 5971 1 10 . 1 1 96 96 SER N N 96 122.260 122.260 124.304 -2.044 18375 5972 1 10 . 1 1 96 96 SER HA H 96 4.810 4.810 4.424 0.386 18375 5973 1 10 . 1 1 96 96 SER C C 96 172.250 172.250 174.039 -1.789 18375 5974 1 10 . 1 1 96 96 SER CA C 96 58.080 58.080 58.248 -0.168 18375 5975 1 10 . 1 1 96 96 SER CB C 96 66.590 66.590 63.038 3.552 18375 5976 1 10 . 1 1 96 96 SER H H 96 9.190 9.190 8.513 0.677 18375 5977 1 10 . 1 1 97 97 SER N N 97 112.810 112.810 124.249 -11.439 18375 5978 1 10 . 1 1 97 97 SER HA H 97 5.620 5.620 4.680 0.940 18375 5979 1 10 . 1 1 97 97 SER C C 97 174.130 174.130 174.448 -0.318 18375 5980 1 10 . 1 1 97 97 SER CA C 97 57.260 57.260 57.980 -0.720 18375 5981 1 10 . 1 1 97 97 SER CB C 97 66.740 66.740 63.214 3.526 18375 5982 1 10 . 1 1 97 97 SER H H 97 8.290 8.290 8.316 -0.026 18375 5983 1 10 . 1 1 98 98 ARG N N 98 122.640 122.640 125.901 -3.261 18375 5984 1 10 . 1 1 98 98 ARG HA H 98 4.650 4.650 4.712 -0.062 18375 5985 1 10 . 1 1 98 98 ARG C C 98 174.030 174.030 174.918 -0.888 18375 5986 1 10 . 1 1 98 98 ARG CA C 98 56.640 56.640 55.053 1.587 18375 5987 1 10 . 1 1 98 98 ARG CB C 98 36.240 36.240 33.297 2.943 18375 5988 1 10 . 1 1 98 98 ARG H H 98 8.380 8.380 8.066 0.314 18375 5989 1 10 . 1 1 99 99 THR N N 99 118.220 118.220 117.110 1.110 18375 5990 1 10 . 1 1 99 99 THR HA H 99 5.280 5.280 5.248 0.032 18375 5991 1 10 . 1 1 99 99 THR C C 99 173.930 173.930 173.953 -0.023 18375 5992 1 10 . 1 1 99 99 THR CA C 99 62.820 62.820 61.690 1.130 18375 5993 1 10 . 1 1 99 99 THR CB C 99 71.360 71.360 70.141 1.219 18375 5994 1 10 . 1 1 99 99 THR H H 99 8.650 8.650 8.388 0.262 18375 5995 1 10 . 1 1 100 100 ILE N N 100 112.130 112.130 128.995 -16.865 18375 5996 1 10 . 1 1 100 100 ILE HA H 100 4.290 4.290 4.261 0.029 18375 5997 1 10 . 1 1 100 100 ILE C C 100 175.190 175.190 175.411 -0.221 18375 5998 1 10 . 1 1 100 100 ILE CA C 100 60.340 60.340 60.514 -0.174 18375 5999 1 10 . 1 1 100 100 ILE CB C 100 40.390 40.390 38.154 2.236 18375 6000 1 10 . 1 1 100 100 ILE H H 100 9.560 9.560 8.842 0.718 18375 6001 1 10 . 1 1 101 101 SER N N 101 121.940 121.940 124.460 -2.520 18375 6002 1 10 . 1 1 101 101 SER HA H 101 4.120 4.120 4.605 -0.485 18375 6003 1 10 . 1 1 101 101 SER C C 101 174.230 174.230 176.039 -1.809 18375 6004 1 10 . 1 1 101 101 SER CA C 101 59.450 59.450 57.382 2.068 18375 6005 1 10 . 1 1 101 101 SER CB C 101 65.410 65.410 64.166 1.244 18375 6006 1 10 . 1 1 101 101 SER H H 101 8.860 8.860 8.352 0.508 18375 6007 1 10 . 1 1 102 102 ALA N N 102 123.870 123.870 126.806 -2.936 18375 6008 1 10 . 1 1 102 102 ALA HA H 102 3.910 3.910 3.947 -0.037 18375 6009 1 10 . 1 1 102 102 ALA C C 102 170.440 170.440 179.790 -9.350 18375 6010 1 10 . 1 1 102 102 ALA CA C 102 56.360 56.360 55.157 1.203 18375 6011 1 10 . 1 1 102 102 ALA CB C 102 19.430 19.430 18.480 0.950 18375 6012 1 10 . 1 1 102 102 ALA H H 102 8.860 8.860 8.848 0.012 18375 6013 1 10 . 1 1 103 103 SER N N 103 109.980 109.980 113.852 -3.872 18375 6014 1 10 . 1 1 103 103 SER HA H 103 4.200 4.200 4.047 0.153 18375 6015 1 10 . 1 1 103 103 SER C C 103 176.050 176.050 176.864 -0.814 18375 6016 1 10 . 1 1 103 103 SER CA C 103 61.680 61.680 61.277 0.403 18375 6017 1 10 . 1 1 103 103 SER CB C 103 63.640 63.640 62.875 0.765 18375 6018 1 10 . 1 1 103 103 SER H H 103 8.180 8.180 8.316 -0.136 18375 6019 1 10 . 1 1 104 104 GLU N N 104 121.250 121.250 121.101 0.149 18375 6020 1 10 . 1 1 104 104 GLU HA H 104 4.260 4.260 4.241 0.019 18375 6021 1 10 . 1 1 104 104 GLU C C 104 178.240 178.240 178.830 -0.590 18375 6022 1 10 . 1 1 104 104 GLU CA C 104 57.960 57.960 58.627 -0.667 18375 6023 1 10 . 1 1 104 104 GLU CB C 104 32.210 32.210 29.426 2.784 18375 6024 1 10 . 1 1 104 104 GLU H H 104 7.560 7.560 7.659 -0.099 18375 6025 1 10 . 1 1 105 105 ALA N N 105 121.520 121.520 122.749 -1.229 18375 6026 1 10 . 1 1 105 105 ALA HA H 105 4.060 4.060 4.322 -0.262 18375 6027 1 10 . 1 1 105 105 ALA C C 105 170.230 170.230 180.047 -9.817 18375 6028 1 10 . 1 1 105 105 ALA CA C 105 57.080 57.080 54.850 2.230 18375 6029 1 10 . 1 1 105 105 ALA CB C 105 19.320 19.320 18.084 1.236 18375 6030 1 10 . 1 1 105 105 ALA H H 105 8.280 8.280 8.288 -0.008 18375 6031 1 10 . 1 1 106 106 GLY N N 106 121.950 121.950 105.695 16.255 18375 6032 1 10 . 1 1 106 106 GLY C C 106 174.110 174.110 175.227 -1.117 18375 6033 1 10 . 1 1 106 106 GLY CA C 106 46.780 46.780 46.349 0.431 18375 6034 1 10 . 1 1 106 106 GLY H H 106 8.360 8.360 8.074 0.286 18375 6035 1 10 . 1 1 107 107 ASN N N 107 117.130 117.130 116.241 0.889 18375 6036 1 10 . 1 1 107 107 ASN HA H 107 4.480 4.480 4.422 0.058 18375 6037 1 10 . 1 1 107 107 ASN C C 107 175.110 175.110 174.245 0.865 18375 6038 1 10 . 1 1 107 107 ASN CA C 107 54.220 54.220 52.591 1.629 18375 6039 1 10 . 1 1 107 107 ASN CB C 107 38.890 38.890 38.809 0.081 18375 6040 1 10 . 1 1 107 107 ASN H H 107 7.830 7.830 7.609 0.221 18375 6041 1 10 . 1 1 108 108 TYR N N 108 117.300 117.300 120.816 -3.516 18375 6042 1 10 . 1 1 108 108 TYR HA H 108 4.620 4.620 4.809 -0.189 18375 6043 1 10 . 1 1 108 108 TYR C C 108 174.810 174.810 175.465 -0.655 18375 6044 1 10 . 1 1 108 108 TYR CA C 108 58.700 58.700 57.734 0.966 18375 6045 1 10 . 1 1 108 108 TYR CB C 108 41.260 41.260 38.922 2.338 18375 6046 1 10 . 1 1 108 108 TYR H H 108 7.020 7.020 7.261 -0.241 18375 6047 1 10 . 1 1 109 109 ASN N N 109 117.260 117.260 120.879 -3.619 18375 6048 1 10 . 1 1 109 109 ASN HA H 109 5.020 5.020 5.282 -0.262 18375 6049 1 10 . 1 1 109 109 ASN C C 109 173.590 173.590 174.397 -0.807 18375 6050 1 10 . 1 1 109 109 ASN CA C 109 53.140 53.140 52.538 0.602 18375 6051 1 10 . 1 1 109 109 ASN CB C 109 41.590 41.590 40.865 0.725 18375 6052 1 10 . 1 1 109 109 ASN H H 109 7.910 7.910 9.032 -1.122 18375 6053 1 10 . 1 1 110 110 TYR N N 110 117.410 117.410 113.943 3.467 18375 6054 1 10 . 1 1 110 110 TYR HA H 110 5.300 5.300 5.445 -0.145 18375 6055 1 10 . 1 1 110 110 TYR C C 110 174.450 174.450 173.671 0.779 18375 6056 1 10 . 1 1 110 110 TYR CA C 110 57.740 57.740 55.513 2.227 18375 6057 1 10 . 1 1 110 110 TYR CB C 110 41.580 41.580 40.952 0.628 18375 6058 1 10 . 1 1 110 110 TYR H H 110 9.340 9.340 8.721 0.619 18375 6059 1 10 . 1 1 111 111 ILE N N 111 123.080 123.080 116.611 6.469 18375 6060 1 10 . 1 1 111 111 ILE HA H 111 4.360 4.360 4.603 -0.243 18375 6061 1 10 . 1 1 111 111 ILE C C 111 175.250 175.250 174.535 0.715 18375 6062 1 10 . 1 1 111 111 ILE CA C 111 61.530 61.530 59.753 1.777 18375 6063 1 10 . 1 1 111 111 ILE CB C 111 40.560 40.560 39.828 0.733 18375 6064 1 10 . 1 1 111 111 ILE H H 111 9.320 9.320 8.605 0.715 18375 6065 1 10 . 1 1 112 112 HIS N N 112 109.020 109.020 126.889 -17.869 18375 6066 1 10 . 1 1 112 112 HIS HA H 112 4.560 4.560 4.614 -0.054 18375 6067 1 10 . 1 1 112 112 HIS C C 112 173.980 173.980 174.652 -0.672 18375 6068 1 10 . 1 1 112 112 HIS CA C 112 57.550 57.550 55.729 1.821 18375 6069 1 10 . 1 1 112 112 HIS CB C 112 31.350 31.350 31.519 -0.169 18375 6070 1 10 . 1 1 112 112 HIS H H 112 8.710 8.710 8.884 -0.174 18375 6071 1 11 . 1 1 3 3 SER HA H 3 4.510 4.510 4.622 -0.112 18375 6072 1 11 . 1 1 3 3 SER C C 3 174.460 174.460 174.923 -0.463 18375 6073 1 11 . 1 1 3 3 SER CA C 3 59.400 59.400 58.099 1.301 18375 6074 1 11 . 1 1 3 3 SER CB C 3 64.820 64.820 62.023 2.797 18375 6075 1 11 . 1 1 4 4 ILE N N 4 121.890 121.890 125.510 -3.620 18375 6076 1 11 . 1 1 4 4 ILE HA H 4 4.210 4.210 4.017 0.193 18375 6077 1 11 . 1 1 4 4 ILE C C 4 176.040 176.040 177.111 -1.071 18375 6078 1 11 . 1 1 4 4 ILE CA C 4 62.180 62.180 63.292 -1.112 18375 6079 1 11 . 1 1 4 4 ILE CB C 4 39.930 39.930 37.523 2.406 18375 6080 1 11 . 1 1 4 4 ILE H H 4 8.180 8.180 8.183 -0.003 18375 6081 1 11 . 1 1 5 5 SER N N 5 119.230 119.230 112.455 6.775 18375 6082 1 11 . 1 1 5 5 SER C C 5 174.290 174.290 174.104 0.186 18375 6083 1 11 . 1 1 5 5 SER CA C 5 59.140 59.140 59.210 -0.070 18375 6084 1 11 . 1 1 5 5 SER CB C 5 64.930 64.930 64.110 0.820 18375 6085 1 11 . 1 1 5 5 SER H H 5 8.270 8.270 8.464 -0.194 18375 6086 1 11 . 1 1 6 6 HIS HA H 6 4.650 4.650 4.792 -0.142 18375 6087 1 11 . 1 1 6 6 HIS CA C 6 57.240 57.240 55.975 1.265 18375 6088 1 11 . 1 1 6 6 HIS CB C 6 31.150 31.150 29.605 1.544 18375 6089 1 11 . 1 1 7 7 SER N N 7 117.260 117.260 120.460 -3.200 18375 6090 1 11 . 1 1 7 7 SER HA H 7 4.430 4.430 4.424 0.006 18375 6091 1 11 . 1 1 7 7 SER C C 7 174.890 174.890 175.509 -0.619 18375 6092 1 11 . 1 1 7 7 SER CA C 7 59.750 59.750 58.289 1.461 18375 6093 1 11 . 1 1 7 7 SER CB C 7 64.890 64.890 64.425 0.465 18375 6094 1 11 . 1 1 7 7 SER H H 7 8.360 8.360 8.331 0.029 18375 6095 1 11 . 1 1 8 8 GLY N N 8 110.140 110.140 111.247 -1.107 18375 6096 1 11 . 1 1 8 8 GLY C C 8 173.340 173.340 174.427 -1.087 18375 6097 1 11 . 1 1 8 8 GLY CA C 8 45.920 45.920 45.936 -0.016 18375 6098 1 11 . 1 1 8 8 GLY H H 8 8.500 8.500 8.155 0.345 18375 6099 1 11 . 1 1 9 9 ASN N N 9 118.840 118.840 120.341 -1.501 18375 6100 1 11 . 1 1 9 9 ASN HA H 9 3.430 3.430 4.795 -1.365 18375 6101 1 11 . 1 1 9 9 ASN C C 9 175.460 175.460 176.137 -0.677 18375 6102 1 11 . 1 1 9 9 ASN CA C 9 53.400 53.400 52.766 0.634 18375 6103 1 11 . 1 1 9 9 ASN CB C 9 38.780 38.780 39.045 -0.265 18375 6104 1 11 . 1 1 9 9 ASN H H 9 8.280 8.280 8.025 0.255 18375 6105 1 11 . 1 1 10 10 LEU N N 10 125.560 125.560 121.411 4.149 18375 6106 1 11 . 1 1 10 10 LEU HA H 10 4.250 4.250 4.475 -0.225 18375 6107 1 11 . 1 1 10 10 LEU C C 10 177.320 177.320 176.685 0.635 18375 6108 1 11 . 1 1 10 10 LEU CA C 10 55.080 55.080 54.675 0.405 18375 6109 1 11 . 1 1 10 10 LEU CB C 10 42.110 42.110 42.481 -0.371 18375 6110 1 11 . 1 1 10 10 LEU H H 10 6.850 6.850 8.320 -1.470 18375 6111 1 11 . 1 1 11 11 TYR N N 11 120.920 120.920 118.617 2.303 18375 6112 1 11 . 1 1 11 11 TYR HA H 11 4.350 4.350 4.485 -0.135 18375 6113 1 11 . 1 1 11 11 TYR C C 11 174.800 174.800 177.149 -2.349 18375 6114 1 11 . 1 1 11 11 TYR CA C 11 60.200 60.200 58.955 1.245 18375 6115 1 11 . 1 1 11 11 TYR CB C 11 38.520 38.520 40.070 -1.550 18375 6116 1 11 . 1 1 11 11 TYR H H 11 7.680 7.680 7.872 -0.192 18375 6117 1 11 . 1 1 12 12 THR N N 12 118.320 118.320 115.859 2.461 18375 6118 1 11 . 1 1 12 12 THR HA H 12 3.680 3.680 4.032 -0.352 18375 6119 1 11 . 1 1 12 12 THR C C 12 173.180 173.180 173.058 0.122 18375 6120 1 11 . 1 1 12 12 THR CA C 12 65.310 65.310 64.520 0.789 18375 6121 1 11 . 1 1 12 12 THR CB C 12 70.080 70.080 69.157 0.923 18375 6122 1 11 . 1 1 12 12 THR H H 12 8.320 8.320 8.404 -0.084 18375 6123 1 11 . 1 1 13 13 ALA N N 13 111.540 111.540 121.745 -10.205 18375 6124 1 11 . 1 1 13 13 ALA HA H 13 3.690 3.690 3.072 0.618 18375 6125 1 11 . 1 1 13 13 ALA CA C 13 53.700 53.700 51.410 2.290 18375 6126 1 11 . 1 1 13 13 ALA H H 13 8.150 8.150 7.444 0.706 18375 6127 1 11 . 1 1 14 14 GLY N N 14 109.410 109.410 107.672 1.738 18375 6128 1 11 . 1 1 14 14 GLY C C 14 173.310 173.310 174.115 -0.805 18375 6129 1 11 . 1 1 14 14 GLY CA C 14 44.150 44.150 44.783 -0.633 18375 6130 1 11 . 1 1 14 14 GLY H H 14 4.990 4.990 6.956 -1.966 18375 6131 1 11 . 1 1 15 15 GLN N N 15 115.720 115.720 118.322 -2.602 18375 6132 1 11 . 1 1 15 15 GLN HA H 15 4.410 4.410 4.428 -0.018 18375 6133 1 11 . 1 1 15 15 GLN C C 15 176.310 176.310 177.181 -0.871 18375 6134 1 11 . 1 1 15 15 GLN CA C 15 55.570 55.570 55.293 0.277 18375 6135 1 11 . 1 1 15 15 GLN CB C 15 31.180 31.180 29.985 1.195 18375 6136 1 11 . 1 1 15 15 GLN H H 15 7.170 7.170 7.822 -0.652 18375 6137 1 11 . 1 1 16 16 CYS N N 16 118.020 118.020 118.468 -0.448 18375 6138 1 11 . 1 1 16 16 CYS HA H 16 4.590 4.590 4.343 0.247 18375 6139 1 11 . 1 1 16 16 CYS C C 16 176.730 176.730 176.376 0.354 18375 6140 1 11 . 1 1 16 16 CYS CA C 16 61.050 61.050 62.090 -1.040 18375 6141 1 11 . 1 1 16 16 CYS CB C 16 28.600 28.600 27.883 0.717 18375 6142 1 11 . 1 1 16 16 CYS H H 16 9.300 9.300 9.051 0.249 18375 6143 1 11 . 1 1 17 17 THR N N 17 113.910 113.910 110.657 3.253 18375 6144 1 11 . 1 1 17 17 THR HA H 17 3.180 3.180 4.322 -1.142 18375 6145 1 11 . 1 1 17 17 THR C C 17 174.260 174.260 174.771 -0.511 18375 6146 1 11 . 1 1 17 17 THR CA C 17 62.800 62.800 63.495 -0.695 18375 6147 1 11 . 1 1 17 17 THR CB C 17 69.000 69.000 67.928 1.072 18375 6148 1 11 . 1 1 17 17 THR H H 17 7.300 7.300 8.063 -0.763 18375 6149 1 11 . 1 1 18 18 TRP N N 18 123.650 123.650 123.649 0.001 18375 6150 1 11 . 1 1 18 18 TRP HA H 18 4.380 4.380 4.690 -0.310 18375 6151 1 11 . 1 1 18 18 TRP C C 18 177.910 177.910 177.140 0.770 18375 6152 1 11 . 1 1 18 18 TRP CA C 18 61.600 61.600 60.725 0.875 18375 6153 1 11 . 1 1 18 18 TRP CB C 18 31.320 31.320 30.867 0.453 18375 6154 1 11 . 1 1 18 18 TRP H H 18 6.640 6.640 7.694 -1.054 18375 6155 1 11 . 1 1 19 19 TYR N N 19 115.660 115.660 120.595 -4.935 18375 6156 1 11 . 1 1 19 19 TYR HA H 19 4.120 4.120 4.113 0.007 18375 6157 1 11 . 1 1 19 19 TYR C C 19 177.170 177.170 177.391 -0.221 18375 6158 1 11 . 1 1 19 19 TYR CA C 19 61.370 61.370 61.807 -0.437 18375 6159 1 11 . 1 1 19 19 TYR CB C 19 42.110 42.110 38.537 3.573 18375 6160 1 11 . 1 1 19 19 TYR H H 19 7.680 7.680 8.985 -1.305 18375 6161 1 11 . 1 1 20 20 VAL N N 20 116.740 116.740 118.930 -2.190 18375 6162 1 11 . 1 1 20 20 VAL HA H 20 3.030 3.030 3.521 -0.491 18375 6163 1 11 . 1 1 20 20 VAL C C 20 176.410 176.410 177.633 -1.223 18375 6164 1 11 . 1 1 20 20 VAL CA C 20 68.360 68.360 67.662 0.698 18375 6165 1 11 . 1 1 20 20 VAL CB C 20 32.210 32.210 31.759 0.452 18375 6166 1 11 . 1 1 20 20 VAL H H 20 7.450 7.450 7.882 -0.432 18375 6167 1 11 . 1 1 21 21 TYR N N 21 118.550 118.550 120.125 -1.575 18375 6168 1 11 . 1 1 21 21 TYR HA H 21 3.560 3.560 4.259 -0.699 18375 6169 1 11 . 1 1 21 21 TYR C C 21 176.490 176.490 176.922 -0.432 18375 6170 1 11 . 1 1 21 21 TYR CA C 21 63.990 63.990 60.765 3.225 18375 6171 1 11 . 1 1 21 21 TYR CB C 21 38.970 38.970 38.398 0.572 18375 6172 1 11 . 1 1 21 21 TYR H H 21 8.370 8.370 7.962 0.408 18375 6173 1 11 . 1 1 22 22 ASP N N 22 115.760 115.760 118.281 -2.521 18375 6174 1 11 . 1 1 22 22 ASP HA H 22 4.260 4.260 4.062 0.198 18375 6175 1 11 . 1 1 22 22 ASP C C 22 169.690 169.690 178.769 -9.079 18375 6176 1 11 . 1 1 22 22 ASP CA C 22 58.010 58.010 57.139 0.871 18375 6177 1 11 . 1 1 22 22 ASP CB C 22 41.770 41.770 40.629 1.141 18375 6178 1 11 . 1 1 22 22 ASP H H 22 6.880 6.880 7.653 -0.773 18375 6179 1 11 . 1 1 23 23 LYS N N 23 121.790 121.790 118.451 3.339 18375 6180 1 11 . 1 1 23 23 LYS HA H 23 3.610 3.610 3.766 -0.156 18375 6181 1 11 . 1 1 23 23 LYS C C 23 178.360 178.360 178.792 -0.432 18375 6182 1 11 . 1 1 23 23 LYS CA C 23 57.990 57.990 57.828 0.162 18375 6183 1 11 . 1 1 23 23 LYS CB C 23 31.350 31.350 31.471 -0.121 18375 6184 1 11 . 1 1 23 23 LYS H H 23 7.820 7.820 7.805 0.015 18375 6185 1 11 . 1 1 24 24 VAL N N 24 108.790 108.790 110.440 -1.650 18375 6186 1 11 . 1 1 24 24 VAL HA H 24 4.390 4.390 4.122 0.268 18375 6187 1 11 . 1 1 24 24 VAL C C 24 176.840 176.840 176.006 0.834 18375 6188 1 11 . 1 1 24 24 VAL CA C 24 61.430 61.430 61.998 -0.569 18375 6189 1 11 . 1 1 24 24 VAL CB C 24 31.690 31.690 31.262 0.428 18375 6190 1 11 . 1 1 24 24 VAL H H 24 7.590 7.590 7.414 0.176 18375 6191 1 11 . 1 1 25 25 GLY N N 25 110.620 110.620 109.341 1.279 18375 6192 1 11 . 1 1 25 25 GLY C C 25 175.510 175.510 174.929 0.581 18375 6193 1 11 . 1 1 25 25 GLY CA C 25 47.110 47.110 45.469 1.641 18375 6194 1 11 . 1 1 25 25 GLY H H 25 7.680 7.680 7.722 -0.042 18375 6195 1 11 . 1 1 26 26 GLY N N 26 122.410 122.410 106.932 15.478 18375 6196 1 11 . 1 1 26 26 GLY C C 26 174.470 174.470 174.835 -0.365 18375 6197 1 11 . 1 1 26 26 GLY CA C 26 46.440 46.440 44.421 2.019 18375 6198 1 11 . 1 1 26 26 GLY H H 26 7.870 7.870 7.645 0.225 18375 6199 1 11 . 1 1 27 27 GLU N N 27 116.720 116.720 120.369 -3.649 18375 6200 1 11 . 1 1 27 27 GLU HA H 27 4.150 4.150 4.171 -0.021 18375 6201 1 11 . 1 1 27 27 GLU C C 27 175.810 175.810 176.188 -0.378 18375 6202 1 11 . 1 1 27 27 GLU CA C 27 58.110 58.110 57.786 0.324 18375 6203 1 11 . 1 1 27 27 GLU CB C 27 30.500 30.500 30.287 0.213 18375 6204 1 11 . 1 1 27 27 GLU H H 27 6.650 6.650 7.525 -0.875 18375 6205 1 11 . 1 1 28 28 ILE N N 28 125.210 125.210 118.623 6.587 18375 6206 1 11 . 1 1 28 28 ILE HA H 28 4.040 4.040 4.275 -0.235 18375 6207 1 11 . 1 1 28 28 ILE CA C 28 60.160 60.160 60.163 -0.003 18375 6208 1 11 . 1 1 28 28 ILE CB C 28 40.940 40.940 38.093 2.847 18375 6209 1 11 . 1 1 28 28 ILE H H 28 6.330 6.330 7.612 -1.282 18375 6210 1 11 . 1 1 29 29 GLY C C 29 174.050 174.050 174.016 0.034 18375 6211 1 11 . 1 1 29 29 GLY CA C 29 46.190 46.190 44.637 1.553 18375 6212 1 11 . 1 1 30 30 SER N N 30 115.530 115.530 113.461 2.069 18375 6213 1 11 . 1 1 30 30 SER HA H 30 4.140 4.140 3.258 0.882 18375 6214 1 11 . 1 1 30 30 SER C C 30 174.000 174.000 174.922 -0.922 18375 6215 1 11 . 1 1 30 30 SER CA C 30 60.180 60.180 60.625 -0.445 18375 6216 1 11 . 1 1 30 30 SER CB C 30 65.150 65.150 60.565 4.585 18375 6217 1 11 . 1 1 30 30 SER H H 30 8.540 8.540 6.868 1.672 18375 6218 1 11 . 1 1 31 31 THR N N 31 124.440 124.440 117.022 7.418 18375 6219 1 11 . 1 1 31 31 THR HA H 31 4.460 4.460 4.256 0.203 18375 6220 1 11 . 1 1 31 31 THR C C 31 175.390 175.390 174.264 1.126 18375 6221 1 11 . 1 1 31 31 THR CA C 31 61.350 61.350 62.534 -1.184 18375 6222 1 11 . 1 1 31 31 THR CB C 31 69.190 69.190 68.765 0.425 18375 6223 1 11 . 1 1 31 31 THR H H 31 7.070 7.070 8.001 -0.931 18375 6224 1 11 . 1 1 32 32 TRP N N 32 121.120 121.120 118.024 3.096 18375 6225 1 11 . 1 1 32 32 TRP HA H 32 4.470 4.470 4.497 -0.027 18375 6226 1 11 . 1 1 32 32 TRP C C 32 175.720 175.720 176.445 -0.725 18375 6227 1 11 . 1 1 32 32 TRP CA C 32 57.500 57.500 54.835 2.665 18375 6228 1 11 . 1 1 32 32 TRP CB C 32 28.670 28.670 28.035 0.635 18375 6229 1 11 . 1 1 32 32 TRP H H 32 7.750 7.750 7.017 0.733 18375 6230 1 11 . 1 1 33 33 GLY N N 33 125.330 125.330 109.788 15.542 18375 6231 1 11 . 1 1 33 33 GLY C C 33 175.520 175.520 173.031 2.489 18375 6232 1 11 . 1 1 33 33 GLY CA C 33 46.390 46.390 45.788 0.602 18375 6233 1 11 . 1 1 33 33 GLY H H 33 8.580 8.580 7.807 0.773 18375 6234 1 11 . 1 1 34 34 ASN N N 34 118.870 118.870 119.971 -1.101 18375 6235 1 11 . 1 1 34 34 ASN HA H 34 4.720 4.720 5.107 -0.387 18375 6236 1 11 . 1 1 34 34 ASN C C 34 175.710 175.710 176.774 -1.064 18375 6237 1 11 . 1 1 34 34 ASN CA C 34 54.630 54.630 51.627 3.003 18375 6238 1 11 . 1 1 34 34 ASN CB C 34 40.050 40.050 40.288 -0.238 18375 6239 1 11 . 1 1 34 34 ASN H H 34 8.780 8.780 8.374 0.406 18375 6240 1 11 . 1 1 35 35 ALA N N 35 121.960 121.960 122.037 -0.077 18375 6241 1 11 . 1 1 35 35 ALA HA H 35 2.920 2.920 3.530 -0.610 18375 6242 1 11 . 1 1 35 35 ALA C C 35 169.710 169.710 179.030 -9.320 18375 6243 1 11 . 1 1 35 35 ALA CA C 35 55.950 55.950 55.091 0.859 18375 6244 1 11 . 1 1 35 35 ALA CB C 35 20.460 20.460 18.525 1.935 18375 6245 1 11 . 1 1 35 35 ALA H H 35 8.750 8.750 8.898 -0.148 18375 6246 1 11 . 1 1 36 36 ASN N N 36 114.940 114.940 114.660 0.280 18375 6247 1 11 . 1 1 36 36 ASN HA H 36 4.170 4.170 4.674 -0.504 18375 6248 1 11 . 1 1 36 36 ASN C C 36 175.200 175.200 175.958 -0.758 18375 6249 1 11 . 1 1 36 36 ASN CA C 36 55.930 55.930 54.474 1.456 18375 6250 1 11 . 1 1 36 36 ASN CB C 36 36.690 36.690 38.579 -1.889 18375 6251 1 11 . 1 1 36 36 ASN H H 36 8.410 8.410 8.858 -0.448 18375 6252 1 11 . 1 1 37 37 ASN N N 37 120.180 120.180 117.405 2.775 18375 6253 1 11 . 1 1 37 37 ASN HA H 37 5.060 5.060 5.008 0.052 18375 6254 1 11 . 1 1 37 37 ASN C C 37 176.530 176.530 175.919 0.611 18375 6255 1 11 . 1 1 37 37 ASN CA C 37 54.250 54.250 52.855 1.395 18375 6256 1 11 . 1 1 37 37 ASN CB C 37 41.720 41.720 39.557 2.163 18375 6257 1 11 . 1 1 37 37 ASN H H 37 8.850 8.850 7.880 0.970 18375 6258 1 11 . 1 1 38 38 TRP N N 38 118.410 118.410 123.226 -4.816 18375 6259 1 11 . 1 1 38 38 TRP HA H 38 4.190 4.190 4.375 -0.185 18375 6260 1 11 . 1 1 38 38 TRP C C 38 177.390 177.390 178.190 -0.800 18375 6261 1 11 . 1 1 38 38 TRP CA C 38 63.450 63.450 62.462 0.988 18375 6262 1 11 . 1 1 38 38 TRP CB C 38 29.680 29.680 28.826 0.854 18375 6263 1 11 . 1 1 38 38 TRP H H 38 8.240 8.240 7.605 0.635 18375 6264 1 11 . 1 1 39 39 ALA N N 39 118.400 118.400 120.031 -1.631 18375 6265 1 11 . 1 1 39 39 ALA HA H 39 3.770 3.770 3.973 -0.203 18375 6266 1 11 . 1 1 39 39 ALA C C 39 178.580 178.580 179.483 -0.903 18375 6267 1 11 . 1 1 39 39 ALA CA C 39 56.760 56.760 55.722 1.038 18375 6268 1 11 . 1 1 39 39 ALA CB C 39 18.020 18.020 17.549 0.471 18375 6269 1 11 . 1 1 39 39 ALA H H 39 7.150 7.150 8.890 -1.740 18375 6270 1 11 . 1 1 40 40 ALA N N 40 121.830 121.830 121.523 0.307 18375 6271 1 11 . 1 1 40 40 ALA HA H 40 3.990 3.990 3.959 0.031 18375 6272 1 11 . 1 1 40 40 ALA C C 40 171.320 171.320 179.326 -8.006 18375 6273 1 11 . 1 1 40 40 ALA CA C 40 55.610 55.610 54.804 0.806 18375 6274 1 11 . 1 1 40 40 ALA CB C 40 18.840 18.840 18.288 0.552 18375 6275 1 11 . 1 1 40 40 ALA H H 40 8.060 8.060 8.052 0.008 18375 6276 1 11 . 1 1 41 41 ALA N N 41 122.200 122.200 120.134 2.066 18375 6277 1 11 . 1 1 41 41 ALA HA H 41 3.630 3.630 3.927 -0.297 18375 6278 1 11 . 1 1 41 41 ALA C C 41 170.110 170.110 179.142 -9.032 18375 6279 1 11 . 1 1 41 41 ALA CA C 41 55.240 55.240 54.569 0.671 18375 6280 1 11 . 1 1 41 41 ALA CB C 41 18.020 18.020 18.774 -0.754 18375 6281 1 11 . 1 1 41 41 ALA H H 41 8.250 8.250 8.040 0.210 18375 6282 1 11 . 1 1 42 42 ALA N N 42 119.600 119.600 121.214 -1.614 18375 6283 1 11 . 1 1 42 42 ALA HA H 42 3.270 3.270 3.351 -0.081 18375 6284 1 11 . 1 1 42 42 ALA C C 42 170.160 170.160 179.614 -9.454 18375 6285 1 11 . 1 1 42 42 ALA CA C 42 55.480 55.480 54.665 0.815 18375 6286 1 11 . 1 1 42 42 ALA CB C 42 19.890 19.890 18.174 1.716 18375 6287 1 11 . 1 1 42 42 ALA H H 42 7.710 7.710 8.688 -0.978 18375 6288 1 11 . 1 1 43 43 GLN N N 43 118.750 118.750 118.189 0.561 18375 6289 1 11 . 1 1 43 43 GLN HA H 43 4.340 4.340 4.200 0.140 18375 6290 1 11 . 1 1 43 43 GLN C C 43 170.980 170.980 178.960 -7.980 18375 6291 1 11 . 1 1 43 43 GLN CA C 43 60.200 60.200 58.030 2.170 18375 6292 1 11 . 1 1 43 43 GLN CB C 43 29.710 29.710 28.938 0.772 18375 6293 1 11 . 1 1 43 43 GLN H H 43 7.880 7.880 8.224 -0.344 18375 6294 1 11 . 1 1 44 44 GLY N N 44 125.760 125.760 106.261 19.499 18375 6295 1 11 . 1 1 44 44 GLY C C 44 174.300 174.300 174.775 -0.475 18375 6296 1 11 . 1 1 44 44 GLY CA C 44 47.660 47.660 45.949 1.711 18375 6297 1 11 . 1 1 44 44 GLY H H 44 8.010 8.010 7.769 0.241 18375 6298 1 11 . 1 1 45 45 ALA N N 45 121.480 121.480 121.996 -0.516 18375 6299 1 11 . 1 1 45 45 ALA HA H 45 4.620 4.620 4.116 0.504 18375 6300 1 11 . 1 1 45 45 ALA C C 45 177.190 177.190 177.311 -0.121 18375 6301 1 11 . 1 1 45 45 ALA CA C 45 52.680 52.680 51.826 0.854 18375 6302 1 11 . 1 1 45 45 ALA CB C 45 20.560 20.560 19.156 1.404 18375 6303 1 11 . 1 1 45 45 ALA H H 45 7.540 7.540 7.212 0.328 18375 6304 1 11 . 1 1 46 46 GLY N N 46 123.690 123.690 106.014 17.676 18375 6305 1 11 . 1 1 46 46 GLY C C 46 174.980 174.980 174.170 0.810 18375 6306 1 11 . 1 1 46 46 GLY CA C 46 46.540 46.540 44.666 1.874 18375 6307 1 11 . 1 1 46 46 GLY H H 46 7.680 7.680 7.414 0.266 18375 6308 1 11 . 1 1 47 47 PHE N N 47 119.960 119.960 119.904 0.056 18375 6309 1 11 . 1 1 47 47 PHE HA H 47 4.620 4.620 4.510 0.110 18375 6310 1 11 . 1 1 47 47 PHE C C 47 176.120 176.120 175.768 0.352 18375 6311 1 11 . 1 1 47 47 PHE CA C 47 59.000 59.000 54.892 4.107 18375 6312 1 11 . 1 1 47 47 PHE CB C 47 40.350 40.350 39.339 1.011 18375 6313 1 11 . 1 1 47 47 PHE H H 47 8.280 8.280 7.831 0.449 18375 6314 1 11 . 1 1 48 48 THR N N 48 120.680 120.680 118.230 2.450 18375 6315 1 11 . 1 1 48 48 THR HA H 48 4.190 4.190 4.556 -0.366 18375 6316 1 11 . 1 1 48 48 THR C C 48 173.000 173.000 172.521 0.479 18375 6317 1 11 . 1 1 48 48 THR CA C 48 65.150 65.150 61.779 3.371 18375 6318 1 11 . 1 1 48 48 THR CB C 48 70.530 70.530 69.257 1.273 18375 6319 1 11 . 1 1 48 48 THR H H 48 9.260 9.260 8.798 0.462 18375 6320 1 11 . 1 1 49 49 VAL N N 49 111.320 111.320 120.799 -9.479 18375 6321 1 11 . 1 1 49 49 VAL HA H 49 5.380 5.380 5.045 0.335 18375 6322 1 11 . 1 1 49 49 VAL C C 49 175.570 175.570 174.040 1.530 18375 6323 1 11 . 1 1 49 49 VAL CA C 49 61.510 61.510 59.111 2.399 18375 6324 1 11 . 1 1 49 49 VAL CB C 49 34.960 34.960 35.657 -0.697 18375 6325 1 11 . 1 1 49 49 VAL H H 49 8.560 8.560 8.297 0.263 18375 6326 1 11 . 1 1 50 50 ASN N N 50 125.000 125.000 123.218 1.782 18375 6327 1 11 . 1 1 50 50 ASN HA H 50 4.800 4.800 4.741 0.059 18375 6328 1 11 . 1 1 50 50 ASN C C 50 174.270 174.270 173.237 1.033 18375 6329 1 11 . 1 1 50 50 ASN CA C 50 53.430 53.430 52.134 1.296 18375 6330 1 11 . 1 1 50 50 ASN CB C 50 39.100 39.100 40.660 -1.560 18375 6331 1 11 . 1 1 50 50 ASN H H 50 9.010 9.010 8.233 0.777 18375 6332 1 11 . 1 1 51 51 HIS N N 51 114.650 114.650 117.661 -3.011 18375 6333 1 11 . 1 1 51 51 HIS HA H 51 5.760 5.760 5.348 0.412 18375 6334 1 11 . 1 1 51 51 HIS C C 51 174.060 174.060 174.303 -0.243 18375 6335 1 11 . 1 1 51 51 HIS CA C 51 56.360 56.360 55.091 1.269 18375 6336 1 11 . 1 1 51 51 HIS CB C 51 29.980 29.980 30.700 -0.720 18375 6337 1 11 . 1 1 51 51 HIS H H 51 8.550 8.550 8.446 0.104 18375 6338 1 11 . 1 1 52 52 THR N N 52 119.910 119.910 117.799 2.111 18375 6339 1 11 . 1 1 52 52 THR HA H 52 4.600 4.600 4.420 0.180 18375 6340 1 11 . 1 1 52 52 THR CA C 52 60.140 60.140 59.898 0.242 18375 6341 1 11 . 1 1 52 52 THR CB C 52 71.890 71.890 70.344 1.546 18375 6342 1 11 . 1 1 52 52 THR H H 52 8.500 8.500 8.023 0.477 18375 6343 1 11 . 1 1 53 53 PRO HA H 53 2.920 2.920 4.159 -1.239 18375 6344 1 11 . 1 1 53 53 PRO C C 53 175.410 175.410 175.572 -0.162 18375 6345 1 11 . 1 1 53 53 PRO CA C 53 62.460 62.460 62.514 -0.054 18375 6346 1 11 . 1 1 53 53 PRO CB C 53 33.410 33.410 32.536 0.874 18375 6347 1 11 . 1 1 54 54 SER N N 54 108.990 108.990 114.520 -5.530 18375 6348 1 11 . 1 1 54 54 SER HA H 54 4.300 4.300 4.409 -0.109 18375 6349 1 11 . 1 1 54 54 SER C C 54 172.380 172.380 172.236 0.144 18375 6350 1 11 . 1 1 54 54 SER CA C 54 58.270 58.270 57.301 0.969 18375 6351 1 11 . 1 1 54 54 SER CB C 54 66.620 66.620 64.243 2.377 18375 6352 1 11 . 1 1 54 54 SER H H 54 6.000 6.000 7.835 -1.835 18375 6353 1 11 . 1 1 55 55 LYS N N 55 124.470 124.470 122.854 1.616 18375 6354 1 11 . 1 1 55 55 LYS HA H 55 3.500 3.500 3.852 -0.352 18375 6355 1 11 . 1 1 55 55 LYS C C 55 177.150 177.150 177.493 -0.343 18375 6356 1 11 . 1 1 55 55 LYS CA C 55 59.850 59.850 58.050 1.800 18375 6357 1 11 . 1 1 55 55 LYS CB C 55 33.010 33.010 31.838 1.172 18375 6358 1 11 . 1 1 55 55 LYS H H 55 8.860 8.860 8.482 0.378 18375 6359 1 11 . 1 1 56 56 GLY N N 56 116.710 116.710 114.661 2.049 18375 6360 1 11 . 1 1 56 56 GLY C C 56 173.430 173.430 173.606 -0.176 18375 6361 1 11 . 1 1 56 56 GLY CA C 56 45.600 45.600 44.767 0.833 18375 6362 1 11 . 1 1 56 56 GLY H H 56 8.950 8.950 8.813 0.137 18375 6363 1 11 . 1 1 57 57 ALA N N 57 118.940 118.940 122.322 -3.382 18375 6364 1 11 . 1 1 57 57 ALA HA H 57 4.630 4.630 4.861 -0.231 18375 6365 1 11 . 1 1 57 57 ALA C C 57 174.570 174.570 175.403 -0.833 18375 6366 1 11 . 1 1 57 57 ALA CA C 57 51.840 51.840 50.416 1.424 18375 6367 1 11 . 1 1 57 57 ALA CB C 57 20.960 20.960 21.689 -0.729 18375 6368 1 11 . 1 1 57 57 ALA H H 57 7.420 7.420 7.855 -0.435 18375 6369 1 11 . 1 1 58 58 ILE N N 58 117.340 117.340 117.182 0.158 18375 6370 1 11 . 1 1 58 58 ILE HA H 58 4.720 4.720 4.707 0.013 18375 6371 1 11 . 1 1 58 58 ILE C C 58 176.920 176.920 174.786 2.134 18375 6372 1 11 . 1 1 58 58 ILE CA C 58 60.910 60.910 60.378 0.532 18375 6373 1 11 . 1 1 58 58 ILE CB C 58 41.820 41.820 42.485 -0.665 18375 6374 1 11 . 1 1 58 58 ILE H H 58 8.350 8.350 8.497 -0.147 18375 6375 1 11 . 1 1 59 59 LEU N N 59 112.330 112.330 124.806 -12.476 18375 6376 1 11 . 1 1 59 59 LEU HA H 59 4.220 4.220 4.559 -0.339 18375 6377 1 11 . 1 1 59 59 LEU C C 59 174.530 174.530 175.801 -1.271 18375 6378 1 11 . 1 1 59 59 LEU CA C 59 56.430 56.430 55.193 1.237 18375 6379 1 11 . 1 1 59 59 LEU CB C 59 44.160 44.160 43.327 0.833 18375 6380 1 11 . 1 1 59 59 LEU H H 59 8.430 8.430 8.754 -0.324 18375 6381 1 11 . 1 1 60 60 GLN N N 60 111.170 111.170 122.503 -11.333 18375 6382 1 11 . 1 1 60 60 GLN HA H 60 4.970 4.970 5.034 -0.064 18375 6383 1 11 . 1 1 60 60 GLN C C 60 172.980 172.980 174.009 -1.029 18375 6384 1 11 . 1 1 60 60 GLN CA C 60 56.720 56.720 55.283 1.437 18375 6385 1 11 . 1 1 60 60 GLN CB C 60 30.950 30.950 32.509 -1.559 18375 6386 1 11 . 1 1 60 60 GLN H H 60 9.490 9.490 8.399 1.091 18375 6387 1 11 . 1 1 61 61 SER N N 61 118.550 118.550 119.937 -1.387 18375 6388 1 11 . 1 1 61 61 SER HA H 61 4.940 4.940 4.883 0.057 18375 6389 1 11 . 1 1 61 61 SER C C 61 174.370 174.370 173.757 0.613 18375 6390 1 11 . 1 1 61 61 SER CA C 61 56.570 56.570 57.227 -0.657 18375 6391 1 11 . 1 1 61 61 SER CB C 61 67.130 67.130 65.015 2.115 18375 6392 1 11 . 1 1 61 61 SER H H 61 8.800 8.800 8.154 0.646 18375 6393 1 11 . 1 1 62 62 SER N N 62 120.910 120.910 121.639 -0.729 18375 6394 1 11 . 1 1 62 62 SER HA H 62 4.540 4.540 4.504 0.036 18375 6395 1 11 . 1 1 62 62 SER C C 62 173.560 173.560 174.931 -1.371 18375 6396 1 11 . 1 1 62 62 SER CA C 62 59.270 59.270 58.897 0.373 18375 6397 1 11 . 1 1 62 62 SER CB C 62 64.390 64.390 62.802 1.588 18375 6398 1 11 . 1 1 62 62 SER H H 62 8.900 8.900 9.033 -0.133 18375 6399 1 11 . 1 1 63 63 GLU N N 63 121.810 121.810 124.049 -2.239 18375 6400 1 11 . 1 1 63 63 GLU HA H 63 4.220 4.220 4.427 -0.207 18375 6401 1 11 . 1 1 63 63 GLU C C 63 176.030 176.030 175.888 0.142 18375 6402 1 11 . 1 1 63 63 GLU CA C 63 57.840 57.840 55.508 2.332 18375 6403 1 11 . 1 1 63 63 GLU CB C 63 32.170 32.170 27.876 4.294 18375 6404 1 11 . 1 1 63 63 GLU H H 63 8.040 8.040 7.550 0.490 18375 6405 1 11 . 1 1 64 64 GLY N N 64 125.900 125.900 110.671 15.229 18375 6406 1 11 . 1 1 64 64 GLY CA C 64 45.490 45.490 45.412 0.078 18375 6407 1 11 . 1 1 64 64 GLY H H 64 8.200 8.200 7.682 0.518 18375 6408 1 11 . 1 1 65 65 PRO HA H 65 4.040 4.040 4.394 -0.354 18375 6409 1 11 . 1 1 65 65 PRO C C 65 177.870 177.870 176.326 1.544 18375 6410 1 11 . 1 1 65 65 PRO CA C 65 65.610 65.610 64.460 1.150 18375 6411 1 11 . 1 1 65 65 PRO CB C 65 32.160 32.160 32.212 -0.052 18375 6412 1 11 . 1 1 66 66 PHE N N 66 112.970 112.970 118.107 -5.137 18375 6413 1 11 . 1 1 66 66 PHE HA H 66 4.920 4.920 4.799 0.121 18375 6414 1 11 . 1 1 66 66 PHE C C 66 176.190 176.190 175.148 1.042 18375 6415 1 11 . 1 1 66 66 PHE CA C 66 57.420 57.420 57.028 0.392 18375 6416 1 11 . 1 1 66 66 PHE CB C 66 42.360 42.360 40.001 2.359 18375 6417 1 11 . 1 1 66 66 PHE H H 66 8.490 8.490 8.137 0.353 18375 6418 1 11 . 1 1 67 67 GLY N N 67 124.370 124.370 107.948 16.422 18375 6419 1 11 . 1 1 67 67 GLY C C 67 172.480 172.480 173.442 -0.962 18375 6420 1 11 . 1 1 67 67 GLY CA C 67 46.860 46.860 44.988 1.872 18375 6421 1 11 . 1 1 67 67 GLY H H 67 6.940 6.940 7.968 -1.028 18375 6422 1 11 . 1 1 68 68 HIS N N 68 117.820 117.820 118.992 -1.172 18375 6423 1 11 . 1 1 68 68 HIS HA H 68 5.020 5.020 4.827 0.193 18375 6424 1 11 . 1 1 68 68 HIS C C 68 173.790 173.790 173.503 0.287 18375 6425 1 11 . 1 1 68 68 HIS CA C 68 58.230 58.230 55.026 3.204 18375 6426 1 11 . 1 1 68 68 HIS CB C 68 36.120 36.120 31.951 4.169 18375 6427 1 11 . 1 1 68 68 HIS H H 68 8.590 8.590 8.385 0.205 18375 6428 1 11 . 1 1 69 69 VAL N N 69 116.830 116.830 120.326 -3.496 18375 6429 1 11 . 1 1 69 69 VAL HA H 69 5.320 5.320 4.551 0.769 18375 6430 1 11 . 1 1 69 69 VAL C C 69 173.060 173.060 174.091 -1.031 18375 6431 1 11 . 1 1 69 69 VAL CA C 69 58.940 58.940 59.381 -0.441 18375 6432 1 11 . 1 1 69 69 VAL CB C 69 37.700 37.700 32.486 5.214 18375 6433 1 11 . 1 1 69 69 VAL H H 69 6.040 6.040 7.624 -1.584 18375 6434 1 11 . 1 1 70 70 ALA N N 70 120.820 120.820 129.268 -8.448 18375 6435 1 11 . 1 1 70 70 ALA HA H 70 4.510 4.510 4.607 -0.097 18375 6436 1 11 . 1 1 70 70 ALA C C 70 173.870 173.870 175.807 -1.937 18375 6437 1 11 . 1 1 70 70 ALA CA C 70 51.560 51.560 50.380 1.179 18375 6438 1 11 . 1 1 70 70 ALA CB C 70 26.390 26.390 21.298 5.092 18375 6439 1 11 . 1 1 70 70 ALA H H 70 8.890 8.890 7.918 0.972 18375 6440 1 11 . 1 1 71 71 TYR N N 71 121.640 121.640 127.302 -5.662 18375 6441 1 11 . 1 1 71 71 TYR HA H 71 4.890 4.890 4.467 0.423 18375 6442 1 11 . 1 1 71 71 TYR C C 71 174.620 174.620 174.236 0.384 18375 6443 1 11 . 1 1 71 71 TYR CA C 71 58.140 58.140 58.046 0.094 18375 6444 1 11 . 1 1 71 71 TYR CB C 71 42.850 42.850 39.289 3.561 18375 6445 1 11 . 1 1 71 71 TYR H H 71 9.310 9.310 8.342 0.968 18375 6446 1 11 . 1 1 72 72 VAL N N 72 126.010 126.010 127.772 -1.762 18375 6447 1 11 . 1 1 72 72 VAL HA H 72 3.880 3.880 3.774 0.106 18375 6448 1 11 . 1 1 72 72 VAL C C 72 174.250 174.250 175.452 -1.202 18375 6449 1 11 . 1 1 72 72 VAL CA C 72 64.970 64.970 62.831 2.139 18375 6450 1 11 . 1 1 72 72 VAL CB C 72 31.470 31.470 30.672 0.798 18375 6451 1 11 . 1 1 72 72 VAL H H 72 8.230 8.230 8.736 -0.506 18375 6452 1 11 . 1 1 73 73 GLU N N 73 112.690 112.690 128.765 -16.075 18375 6453 1 11 . 1 1 73 73 GLU HA H 73 4.250 4.250 4.181 0.069 18375 6454 1 11 . 1 1 73 73 GLU C C 73 178.020 178.020 175.998 2.022 18375 6455 1 11 . 1 1 73 73 GLU CA C 73 58.400 58.400 57.302 1.098 18375 6456 1 11 . 1 1 73 73 GLU CB C 73 31.050 31.050 30.729 0.321 18375 6457 1 11 . 1 1 73 73 GLU H H 73 8.820 8.820 8.595 0.225 18375 6458 1 11 . 1 1 74 74 SER N N 74 125.880 125.880 109.793 16.087 18375 6459 1 11 . 1 1 74 74 SER HA H 74 4.330 4.330 4.591 -0.261 18375 6460 1 11 . 1 1 74 74 SER C C 74 172.030 172.030 172.093 -0.063 18375 6461 1 11 . 1 1 74 74 SER CA C 74 59.220 59.220 57.685 1.535 18375 6462 1 11 . 1 1 74 74 SER CB C 74 65.620 65.620 64.902 0.718 18375 6463 1 11 . 1 1 74 74 SER H H 74 7.900 7.900 7.586 0.314 18375 6464 1 11 . 1 1 75 75 VAL N N 75 122.760 122.760 120.604 2.156 18375 6465 1 11 . 1 1 75 75 VAL HA H 75 4.320 4.320 4.127 0.193 18375 6466 1 11 . 1 1 75 75 VAL C C 75 176.270 176.270 174.363 1.907 18375 6467 1 11 . 1 1 75 75 VAL CA C 75 63.380 63.380 60.069 3.311 18375 6468 1 11 . 1 1 75 75 VAL CB C 75 32.750 32.750 34.029 -1.279 18375 6469 1 11 . 1 1 75 75 VAL H H 75 8.400 8.400 8.329 0.071 18375 6470 1 11 . 1 1 76 76 ASN N N 76 125.270 125.270 125.809 -0.539 18375 6471 1 11 . 1 1 76 76 ASN HA H 76 4.790 4.790 5.010 -0.220 18375 6472 1 11 . 1 1 76 76 ASN CA C 76 54.260 54.260 52.319 1.941 18375 6473 1 11 . 1 1 76 76 ASN CB C 76 39.960 39.960 39.573 0.387 18375 6474 1 11 . 1 1 76 76 ASN H H 76 9.080 9.080 8.983 0.097 18375 6475 1 11 . 1 1 77 77 SER HA H 77 4.130 4.130 4.361 -0.231 18375 6476 1 11 . 1 1 77 77 SER C C 77 174.410 174.410 174.580 -0.170 18375 6477 1 11 . 1 1 77 77 SER CA C 77 62.670 62.670 60.953 1.717 18375 6478 1 11 . 1 1 77 77 SER CB C 77 63.600 63.600 62.885 0.715 18375 6479 1 11 . 1 1 78 78 ASP N N 78 118.590 118.590 120.843 -2.253 18375 6480 1 11 . 1 1 78 78 ASP HA H 78 4.580 4.580 4.667 -0.087 18375 6481 1 11 . 1 1 78 78 ASP C C 78 176.790 176.790 177.131 -0.341 18375 6482 1 11 . 1 1 78 78 ASP CA C 78 53.960 53.960 54.115 -0.155 18375 6483 1 11 . 1 1 78 78 ASP CB C 78 40.880 40.880 40.424 0.456 18375 6484 1 11 . 1 1 78 78 ASP H H 78 7.980 7.980 8.268 -0.288 18375 6485 1 11 . 1 1 79 79 GLY N N 79 109.220 109.220 106.076 3.144 18375 6486 1 11 . 1 1 79 79 GLY C C 79 173.470 173.470 173.068 0.402 18375 6487 1 11 . 1 1 79 79 GLY CA C 79 46.050 46.050 44.883 1.167 18375 6488 1 11 . 1 1 79 79 GLY H H 79 8.180 8.180 7.818 0.362 18375 6489 1 11 . 1 1 80 80 SER N N 80 114.200 114.200 115.505 -1.305 18375 6490 1 11 . 1 1 80 80 SER HA H 80 4.350 4.350 5.208 -0.858 18375 6491 1 11 . 1 1 80 80 SER C C 80 172.630 172.630 173.924 -1.294 18375 6492 1 11 . 1 1 80 80 SER CA C 80 59.580 59.580 56.599 2.981 18375 6493 1 11 . 1 1 80 80 SER CB C 80 65.710 65.710 66.039 -0.329 18375 6494 1 11 . 1 1 80 80 SER H H 80 7.930 7.930 7.486 0.444 18375 6495 1 11 . 1 1 81 81 VAL N N 81 118.060 118.060 117.957 0.103 18375 6496 1 11 . 1 1 81 81 VAL HA H 81 4.690 4.690 4.411 0.279 18375 6497 1 11 . 1 1 81 81 VAL C C 81 175.220 175.220 174.737 0.483 18375 6498 1 11 . 1 1 81 81 VAL CA C 81 61.980 61.980 60.172 1.808 18375 6499 1 11 . 1 1 81 81 VAL CB C 81 36.810 36.810 33.221 3.589 18375 6500 1 11 . 1 1 81 81 VAL H H 81 8.820 8.820 8.964 -0.144 18375 6501 1 11 . 1 1 82 82 THR N N 82 125.170 125.170 121.719 3.451 18375 6502 1 11 . 1 1 82 82 THR HA H 82 5.190 5.190 5.034 0.156 18375 6503 1 11 . 1 1 82 82 THR C C 82 174.150 174.150 173.970 0.180 18375 6504 1 11 . 1 1 82 82 THR CA C 82 63.440 63.440 62.414 1.026 18375 6505 1 11 . 1 1 82 82 THR CB C 82 70.520 70.520 69.192 1.328 18375 6506 1 11 . 1 1 82 82 THR H H 82 9.020 9.020 8.645 0.375 18375 6507 1 11 . 1 1 83 83 ILE N N 83 120.970 120.970 123.645 -2.675 18375 6508 1 11 . 1 1 83 83 ILE HA H 83 5.640 5.640 5.019 0.621 18375 6509 1 11 . 1 1 83 83 ILE C C 83 175.030 175.030 174.161 0.869 18375 6510 1 11 . 1 1 83 83 ILE CA C 83 59.440 59.440 58.874 0.566 18375 6511 1 11 . 1 1 83 83 ILE CB C 83 42.170 42.170 41.155 1.015 18375 6512 1 11 . 1 1 83 83 ILE H H 83 9.280 9.280 8.349 0.931 18375 6513 1 11 . 1 1 84 84 SER N N 84 115.430 115.430 120.434 -5.004 18375 6514 1 11 . 1 1 84 84 SER HA H 84 5.590 5.590 5.319 0.271 18375 6515 1 11 . 1 1 84 84 SER C C 84 173.130 173.130 173.878 -0.748 18375 6516 1 11 . 1 1 84 84 SER CA C 84 58.050 58.050 57.284 0.766 18375 6517 1 11 . 1 1 84 84 SER CB C 84 67.140 67.140 64.600 2.540 18375 6518 1 11 . 1 1 84 84 SER H H 84 9.600 9.600 9.191 0.409 18375 6519 1 11 . 1 1 85 85 GLU N N 85 117.660 117.660 125.367 -7.707 18375 6520 1 11 . 1 1 85 85 GLU HA H 85 5.180 5.180 4.924 0.256 18375 6521 1 11 . 1 1 85 85 GLU C C 85 171.780 171.780 175.025 -3.245 18375 6522 1 11 . 1 1 85 85 GLU CA C 85 54.880 54.880 54.631 0.249 18375 6523 1 11 . 1 1 85 85 GLU CB C 85 33.540 33.540 31.192 2.348 18375 6524 1 11 . 1 1 85 85 GLU H H 85 8.800 8.800 8.773 0.027 18375 6525 1 11 . 1 1 86 86 MET N N 86 118.950 118.950 128.363 -9.413 18375 6526 1 11 . 1 1 86 86 MET HA H 86 5.250 5.250 4.352 0.898 18375 6527 1 11 . 1 1 86 86 MET C C 86 175.010 175.010 175.941 -0.931 18375 6528 1 11 . 1 1 86 86 MET CA C 86 53.880 53.880 56.610 -2.730 18375 6529 1 11 . 1 1 86 86 MET CB C 86 38.240 38.240 32.111 6.129 18375 6530 1 11 . 1 1 86 86 MET H H 86 8.490 8.490 8.951 -0.461 18375 6531 1 11 . 1 1 87 87 ASN N N 87 116.670 116.670 127.003 -10.333 18375 6532 1 11 . 1 1 87 87 ASN HA H 87 4.190 4.190 4.358 -0.168 18375 6533 1 11 . 1 1 87 87 ASN C C 87 174.810 174.810 175.933 -1.123 18375 6534 1 11 . 1 1 87 87 ASN CA C 87 54.520 54.520 56.467 -1.947 18375 6535 1 11 . 1 1 87 87 ASN CB C 87 39.330 39.330 37.303 2.027 18375 6536 1 11 . 1 1 87 87 ASN H H 87 8.250 8.250 9.306 -1.056 18375 6537 1 11 . 1 1 88 88 TYR N N 88 119.600 119.600 117.320 2.280 18375 6538 1 11 . 1 1 88 88 TYR HA H 88 4.290 4.290 3.972 0.318 18375 6539 1 11 . 1 1 88 88 TYR C C 88 175.620 175.620 174.313 1.307 18375 6540 1 11 . 1 1 88 88 TYR CA C 88 60.720 60.720 61.205 -0.485 18375 6541 1 11 . 1 1 88 88 TYR CB C 88 41.430 41.430 37.586 3.844 18375 6542 1 11 . 1 1 88 88 TYR H H 88 8.940 8.940 8.645 0.295 18375 6543 1 11 . 1 1 89 89 SER N N 89 113.120 113.120 115.304 -2.184 18375 6544 1 11 . 1 1 89 89 SER HA H 89 4.320 4.320 4.293 0.027 18375 6545 1 11 . 1 1 89 89 SER C C 89 174.860 174.860 173.042 1.818 18375 6546 1 11 . 1 1 89 89 SER CA C 89 58.690 58.690 58.019 0.671 18375 6547 1 11 . 1 1 89 89 SER CB C 89 65.140 65.140 63.335 1.805 18375 6548 1 11 . 1 1 89 89 SER H H 89 8.060 8.060 7.786 0.274 18375 6549 1 11 . 1 1 90 90 GLY N N 90 110.450 110.450 109.301 1.149 18375 6550 1 11 . 1 1 90 90 GLY C C 90 174.680 174.680 173.458 1.222 18375 6551 1 11 . 1 1 90 90 GLY CA C 90 45.950 45.950 46.447 -0.497 18375 6552 1 11 . 1 1 90 90 GLY H H 90 8.180 8.180 8.738 -0.558 18375 6553 1 11 . 1 1 91 91 GLY N N 91 108.710 108.710 111.857 -3.147 18375 6554 1 11 . 1 1 91 91 GLY CA C 91 45.880 45.880 43.202 2.678 18375 6555 1 11 . 1 1 91 91 GLY H H 91 8.330 8.330 8.467 -0.137 18375 6556 1 11 . 1 1 92 92 PRO HA H 92 4.040 4.040 4.311 -0.271 18375 6557 1 11 . 1 1 92 92 PRO C C 92 177.930 177.930 176.330 1.600 18375 6558 1 11 . 1 1 92 92 PRO CA C 92 64.710 64.710 63.856 0.854 18375 6559 1 11 . 1 1 92 92 PRO CB C 92 32.690 32.690 32.103 0.586 18375 6560 1 11 . 1 1 93 93 PHE N N 93 113.220 113.220 117.291 -4.071 18375 6561 1 11 . 1 1 93 93 PHE HA H 93 4.480 4.480 4.166 0.314 18375 6562 1 11 . 1 1 93 93 PHE C C 93 174.490 174.490 175.641 -1.151 18375 6563 1 11 . 1 1 93 93 PHE CA C 93 62.890 62.890 59.130 3.760 18375 6564 1 11 . 1 1 93 93 PHE CB C 93 37.410 37.410 36.956 0.454 18375 6565 1 11 . 1 1 93 93 PHE H H 93 8.350 8.350 8.149 0.201 18375 6566 1 11 . 1 1 94 94 SER N N 94 115.680 115.680 118.222 -2.542 18375 6567 1 11 . 1 1 94 94 SER HA H 94 4.620 4.620 4.405 0.215 18375 6568 1 11 . 1 1 94 94 SER C C 94 174.290 174.290 174.528 -0.238 18375 6569 1 11 . 1 1 94 94 SER CA C 94 59.150 59.150 58.792 0.358 18375 6570 1 11 . 1 1 94 94 SER CB C 94 64.690 64.690 62.636 2.054 18375 6571 1 11 . 1 1 94 94 SER H H 94 7.980 7.980 8.044 -0.064 18375 6572 1 11 . 1 1 95 95 VAL N N 95 112.520 112.520 127.584 -15.064 18375 6573 1 11 . 1 1 95 95 VAL HA H 95 4.830 4.830 3.838 0.992 18375 6574 1 11 . 1 1 95 95 VAL C C 95 175.770 175.770 174.403 1.367 18375 6575 1 11 . 1 1 95 95 VAL CA C 95 62.520 62.520 62.156 0.364 18375 6576 1 11 . 1 1 95 95 VAL CB C 95 34.010 34.010 31.678 2.332 18375 6577 1 11 . 1 1 95 95 VAL H H 95 8.840 8.840 8.096 0.744 18375 6578 1 11 . 1 1 96 96 SER N N 96 122.260 122.260 126.668 -4.408 18375 6579 1 11 . 1 1 96 96 SER HA H 96 4.810 4.810 4.591 0.219 18375 6580 1 11 . 1 1 96 96 SER C C 96 172.250 172.250 173.218 -0.968 18375 6581 1 11 . 1 1 96 96 SER CA C 96 58.080 58.080 58.623 -0.543 18375 6582 1 11 . 1 1 96 96 SER CB C 96 66.590 66.590 63.866 2.724 18375 6583 1 11 . 1 1 96 96 SER H H 96 9.190 9.190 9.114 0.076 18375 6584 1 11 . 1 1 97 97 SER N N 97 112.810 112.810 123.437 -10.627 18375 6585 1 11 . 1 1 97 97 SER HA H 97 5.620 5.620 4.968 0.652 18375 6586 1 11 . 1 1 97 97 SER C C 97 174.130 174.130 174.559 -0.429 18375 6587 1 11 . 1 1 97 97 SER CA C 97 57.260 57.260 58.520 -1.260 18375 6588 1 11 . 1 1 97 97 SER CB C 97 66.740 66.740 63.289 3.451 18375 6589 1 11 . 1 1 97 97 SER H H 97 8.290 8.290 8.703 -0.413 18375 6590 1 11 . 1 1 98 98 ARG N N 98 122.640 122.640 127.232 -4.592 18375 6591 1 11 . 1 1 98 98 ARG HA H 98 4.650 4.650 4.652 -0.002 18375 6592 1 11 . 1 1 98 98 ARG C C 98 174.030 174.030 174.779 -0.749 18375 6593 1 11 . 1 1 98 98 ARG CA C 98 56.640 56.640 53.735 2.905 18375 6594 1 11 . 1 1 98 98 ARG CB C 98 36.240 36.240 32.317 3.923 18375 6595 1 11 . 1 1 98 98 ARG H H 98 8.380 8.380 8.389 -0.009 18375 6596 1 11 . 1 1 99 99 THR N N 99 118.220 118.220 117.137 1.083 18375 6597 1 11 . 1 1 99 99 THR HA H 99 5.280 5.280 5.081 0.199 18375 6598 1 11 . 1 1 99 99 THR C C 99 173.930 173.930 173.701 0.229 18375 6599 1 11 . 1 1 99 99 THR CA C 99 62.820 62.820 61.494 1.326 18375 6600 1 11 . 1 1 99 99 THR CB C 99 71.360 71.360 70.099 1.261 18375 6601 1 11 . 1 1 99 99 THR H H 99 8.650 8.650 8.343 0.307 18375 6602 1 11 . 1 1 100 100 ILE N N 100 112.130 112.130 128.977 -16.847 18375 6603 1 11 . 1 1 100 100 ILE HA H 100 4.290 4.290 4.274 0.016 18375 6604 1 11 . 1 1 100 100 ILE C C 100 175.190 175.190 175.267 -0.077 18375 6605 1 11 . 1 1 100 100 ILE CA C 100 60.340 60.340 58.539 1.800 18375 6606 1 11 . 1 1 100 100 ILE CB C 100 40.390 40.390 36.675 3.715 18375 6607 1 11 . 1 1 100 100 ILE H H 100 9.560 9.560 8.955 0.605 18375 6608 1 11 . 1 1 101 101 SER N N 101 121.940 121.940 124.357 -2.417 18375 6609 1 11 . 1 1 101 101 SER HA H 101 4.120 4.120 4.508 -0.388 18375 6610 1 11 . 1 1 101 101 SER C C 101 174.230 174.230 175.359 -1.129 18375 6611 1 11 . 1 1 101 101 SER CA C 101 59.450 59.450 58.696 0.754 18375 6612 1 11 . 1 1 101 101 SER CB C 101 65.410 65.410 63.827 1.583 18375 6613 1 11 . 1 1 101 101 SER H H 101 8.860 8.860 9.183 -0.323 18375 6614 1 11 . 1 1 102 102 ALA N N 102 123.870 123.870 127.247 -3.377 18375 6615 1 11 . 1 1 102 102 ALA HA H 102 3.910 3.910 3.979 -0.069 18375 6616 1 11 . 1 1 102 102 ALA C C 102 170.440 170.440 179.348 -8.908 18375 6617 1 11 . 1 1 102 102 ALA CA C 102 56.360 56.360 55.529 0.832 18375 6618 1 11 . 1 1 102 102 ALA CB C 102 19.430 19.430 18.124 1.306 18375 6619 1 11 . 1 1 102 102 ALA H H 102 8.860 8.860 8.755 0.105 18375 6620 1 11 . 1 1 103 103 SER N N 103 109.980 109.980 112.312 -2.332 18375 6621 1 11 . 1 1 103 103 SER HA H 103 4.200 4.200 4.150 0.050 18375 6622 1 11 . 1 1 103 103 SER C C 103 176.050 176.050 176.552 -0.502 18375 6623 1 11 . 1 1 103 103 SER CA C 103 61.680 61.680 61.028 0.652 18375 6624 1 11 . 1 1 103 103 SER CB C 103 63.640 63.640 62.506 1.134 18375 6625 1 11 . 1 1 103 103 SER H H 103 8.180 8.180 8.478 -0.298 18375 6626 1 11 . 1 1 104 104 GLU N N 104 121.250 121.250 122.282 -1.032 18375 6627 1 11 . 1 1 104 104 GLU HA H 104 4.260 4.260 4.415 -0.155 18375 6628 1 11 . 1 1 104 104 GLU C C 104 178.240 178.240 179.077 -0.837 18375 6629 1 11 . 1 1 104 104 GLU CA C 104 57.960 57.960 58.209 -0.249 18375 6630 1 11 . 1 1 104 104 GLU CB C 104 32.210 32.210 30.090 2.120 18375 6631 1 11 . 1 1 104 104 GLU H H 104 7.560 7.560 7.648 -0.088 18375 6632 1 11 . 1 1 105 105 ALA N N 105 121.520 121.520 123.037 -1.517 18375 6633 1 11 . 1 1 105 105 ALA HA H 105 4.060 4.060 4.288 -0.228 18375 6634 1 11 . 1 1 105 105 ALA C C 105 170.230 170.230 180.146 -9.916 18375 6635 1 11 . 1 1 105 105 ALA CA C 105 57.080 57.080 54.933 2.147 18375 6636 1 11 . 1 1 105 105 ALA CB C 105 19.320 19.320 18.122 1.198 18375 6637 1 11 . 1 1 105 105 ALA H H 105 8.280 8.280 8.651 -0.371 18375 6638 1 11 . 1 1 106 106 GLY N N 106 121.950 121.950 106.948 15.002 18375 6639 1 11 . 1 1 106 106 GLY C C 106 174.110 174.110 175.045 -0.935 18375 6640 1 11 . 1 1 106 106 GLY CA C 106 46.780 46.780 46.249 0.531 18375 6641 1 11 . 1 1 106 106 GLY H H 106 8.360 8.360 8.187 0.173 18375 6642 1 11 . 1 1 107 107 ASN N N 107 117.130 117.130 115.824 1.306 18375 6643 1 11 . 1 1 107 107 ASN HA H 107 4.480 4.480 4.367 0.113 18375 6644 1 11 . 1 1 107 107 ASN C C 107 175.110 175.110 173.850 1.260 18375 6645 1 11 . 1 1 107 107 ASN CA C 107 54.220 54.220 52.756 1.464 18375 6646 1 11 . 1 1 107 107 ASN CB C 107 38.890 38.890 39.596 -0.706 18375 6647 1 11 . 1 1 107 107 ASN H H 107 7.830 7.830 7.982 -0.152 18375 6648 1 11 . 1 1 108 108 TYR N N 108 117.300 117.300 119.975 -2.675 18375 6649 1 11 . 1 1 108 108 TYR HA H 108 4.620 4.620 4.865 -0.245 18375 6650 1 11 . 1 1 108 108 TYR C C 108 174.810 174.810 175.132 -0.322 18375 6651 1 11 . 1 1 108 108 TYR CA C 108 58.700 58.700 57.950 0.750 18375 6652 1 11 . 1 1 108 108 TYR CB C 108 41.260 41.260 39.832 1.428 18375 6653 1 11 . 1 1 108 108 TYR H H 108 7.020 7.020 7.257 -0.237 18375 6654 1 11 . 1 1 109 109 ASN N N 109 117.260 117.260 120.035 -2.775 18375 6655 1 11 . 1 1 109 109 ASN HA H 109 5.020 5.020 5.834 -0.814 18375 6656 1 11 . 1 1 109 109 ASN C C 109 173.590 173.590 174.410 -0.820 18375 6657 1 11 . 1 1 109 109 ASN CA C 109 53.140 53.140 52.305 0.835 18375 6658 1 11 . 1 1 109 109 ASN CB C 109 41.590 41.590 40.821 0.770 18375 6659 1 11 . 1 1 109 109 ASN H H 109 7.910 7.910 8.966 -1.056 18375 6660 1 11 . 1 1 110 110 TYR N N 110 117.410 117.410 114.388 3.022 18375 6661 1 11 . 1 1 110 110 TYR HA H 110 5.300 5.300 5.366 -0.066 18375 6662 1 11 . 1 1 110 110 TYR C C 110 174.450 174.450 173.645 0.805 18375 6663 1 11 . 1 1 110 110 TYR CA C 110 57.740 57.740 56.273 1.467 18375 6664 1 11 . 1 1 110 110 TYR CB C 110 41.580 41.580 41.518 0.062 18375 6665 1 11 . 1 1 110 110 TYR H H 110 9.340 9.340 8.253 1.087 18375 6666 1 11 . 1 1 111 111 ILE N N 111 123.080 123.080 120.667 2.413 18375 6667 1 11 . 1 1 111 111 ILE HA H 111 4.360 4.360 4.836 -0.476 18375 6668 1 11 . 1 1 111 111 ILE C C 111 175.250 175.250 174.579 0.671 18375 6669 1 11 . 1 1 111 111 ILE CA C 111 61.530 61.530 59.919 1.611 18375 6670 1 11 . 1 1 111 111 ILE CB C 111 40.560 40.560 38.608 1.952 18375 6671 1 11 . 1 1 111 111 ILE H H 111 9.320 9.320 8.729 0.591 18375 6672 1 11 . 1 1 112 112 HIS N N 112 109.020 109.020 123.598 -14.578 18375 6673 1 11 . 1 1 112 112 HIS HA H 112 4.560 4.560 5.021 -0.461 18375 6674 1 11 . 1 1 112 112 HIS C C 112 173.980 173.980 174.530 -0.550 18375 6675 1 11 . 1 1 112 112 HIS CA C 112 57.550 57.550 53.529 4.021 18375 6676 1 11 . 1 1 112 112 HIS CB C 112 31.350 31.350 32.231 -0.881 18375 6677 1 11 . 1 1 112 112 HIS H H 112 8.710 8.710 8.608 0.102 18375 6678 1 12 . 1 1 3 3 SER HA H 3 4.510 4.510 4.507 0.003 18375 6679 1 12 . 1 1 3 3 SER C C 3 174.460 174.460 174.700 -0.240 18375 6680 1 12 . 1 1 3 3 SER CA C 3 59.400 59.400 58.426 0.974 18375 6681 1 12 . 1 1 3 3 SER CB C 3 64.820 64.820 62.969 1.851 18375 6682 1 12 . 1 1 4 4 ILE N N 4 121.890 121.890 122.263 -0.373 18375 6683 1 12 . 1 1 4 4 ILE HA H 4 4.210 4.210 4.563 -0.353 18375 6684 1 12 . 1 1 4 4 ILE C C 4 176.040 176.040 175.683 0.357 18375 6685 1 12 . 1 1 4 4 ILE CA C 4 62.180 62.180 59.879 2.301 18375 6686 1 12 . 1 1 4 4 ILE CB C 4 39.930 39.930 36.038 3.892 18375 6687 1 12 . 1 1 4 4 ILE H H 4 8.180 8.180 8.085 0.095 18375 6688 1 12 . 1 1 5 5 SER N N 5 119.230 119.230 119.583 -0.353 18375 6689 1 12 . 1 1 5 5 SER C C 5 174.290 174.290 174.653 -0.363 18375 6690 1 12 . 1 1 5 5 SER CA C 5 59.140 59.140 57.197 1.943 18375 6691 1 12 . 1 1 5 5 SER CB C 5 64.930 64.930 62.379 2.551 18375 6692 1 12 . 1 1 5 5 SER H H 5 8.270 8.270 8.436 -0.166 18375 6693 1 12 . 1 1 6 6 HIS HA H 6 4.650 4.650 4.234 0.416 18375 6694 1 12 . 1 1 6 6 HIS CA C 6 57.240 57.240 59.076 -1.836 18375 6695 1 12 . 1 1 6 6 HIS CB C 6 31.150 31.150 28.491 2.659 18375 6696 1 12 . 1 1 7 7 SER N N 7 117.260 117.260 116.071 1.189 18375 6697 1 12 . 1 1 7 7 SER HA H 7 4.430 4.430 4.697 -0.267 18375 6698 1 12 . 1 1 7 7 SER C C 7 174.890 174.890 173.858 1.032 18375 6699 1 12 . 1 1 7 7 SER CA C 7 59.750 59.750 58.343 1.407 18375 6700 1 12 . 1 1 7 7 SER CB C 7 64.890 64.890 65.665 -0.775 18375 6701 1 12 . 1 1 7 7 SER H H 7 8.360 8.360 8.383 -0.023 18375 6702 1 12 . 1 1 8 8 GLY N N 8 110.140 110.140 110.825 -0.685 18375 6703 1 12 . 1 1 8 8 GLY C C 8 173.340 173.340 171.863 1.477 18375 6704 1 12 . 1 1 8 8 GLY CA C 8 45.920 45.920 45.381 0.539 18375 6705 1 12 . 1 1 8 8 GLY H H 8 8.500 8.500 8.515 -0.016 18375 6706 1 12 . 1 1 9 9 ASN N N 9 118.840 118.840 117.603 1.237 18375 6707 1 12 . 1 1 9 9 ASN HA H 9 3.430 3.430 4.884 -1.454 18375 6708 1 12 . 1 1 9 9 ASN C C 9 175.460 175.460 175.691 -0.231 18375 6709 1 12 . 1 1 9 9 ASN CA C 9 53.400 53.400 52.290 1.110 18375 6710 1 12 . 1 1 9 9 ASN CB C 9 38.780 38.780 39.505 -0.725 18375 6711 1 12 . 1 1 9 9 ASN H H 9 8.280 8.280 8.058 0.222 18375 6712 1 12 . 1 1 10 10 LEU N N 10 125.560 125.560 121.685 3.875 18375 6713 1 12 . 1 1 10 10 LEU HA H 10 4.250 4.250 4.335 -0.085 18375 6714 1 12 . 1 1 10 10 LEU C C 10 177.320 177.320 176.671 0.649 18375 6715 1 12 . 1 1 10 10 LEU CA C 10 55.080 55.080 55.580 -0.499 18375 6716 1 12 . 1 1 10 10 LEU CB C 10 42.110 42.110 42.343 -0.232 18375 6717 1 12 . 1 1 10 10 LEU H H 10 6.850 6.850 8.387 -1.537 18375 6718 1 12 . 1 1 11 11 TYR N N 11 120.920 120.920 117.991 2.929 18375 6719 1 12 . 1 1 11 11 TYR HA H 11 4.350 4.350 4.409 -0.059 18375 6720 1 12 . 1 1 11 11 TYR C C 11 174.800 174.800 177.350 -2.550 18375 6721 1 12 . 1 1 11 11 TYR CA C 11 60.200 60.200 58.789 1.411 18375 6722 1 12 . 1 1 11 11 TYR CB C 11 38.520 38.520 40.094 -1.574 18375 6723 1 12 . 1 1 11 11 TYR H H 11 7.680 7.680 7.822 -0.142 18375 6724 1 12 . 1 1 12 12 THR N N 12 118.320 118.320 115.911 2.409 18375 6725 1 12 . 1 1 12 12 THR HA H 12 3.680 3.680 3.965 -0.285 18375 6726 1 12 . 1 1 12 12 THR C C 12 173.180 173.180 173.094 0.086 18375 6727 1 12 . 1 1 12 12 THR CA C 12 65.310 65.310 64.444 0.866 18375 6728 1 12 . 1 1 12 12 THR CB C 12 70.080 70.080 68.927 1.153 18375 6729 1 12 . 1 1 12 12 THR H H 12 8.320 8.320 7.819 0.501 18375 6730 1 12 . 1 1 13 13 ALA N N 13 111.540 111.540 121.636 -10.096 18375 6731 1 12 . 1 1 13 13 ALA HA H 13 3.690 3.690 3.007 0.683 18375 6732 1 12 . 1 1 13 13 ALA CA C 13 53.700 53.700 51.363 2.337 18375 6733 1 12 . 1 1 13 13 ALA H H 13 8.150 8.150 7.423 0.727 18375 6734 1 12 . 1 1 14 14 GLY N N 14 109.410 109.410 107.871 1.539 18375 6735 1 12 . 1 1 14 14 GLY C C 14 173.310 173.310 173.876 -0.566 18375 6736 1 12 . 1 1 14 14 GLY CA C 14 44.150 44.150 44.675 -0.525 18375 6737 1 12 . 1 1 14 14 GLY H H 14 4.990 4.990 6.650 -1.660 18375 6738 1 12 . 1 1 15 15 GLN N N 15 115.720 115.720 117.343 -1.623 18375 6739 1 12 . 1 1 15 15 GLN HA H 15 4.410 4.410 4.637 -0.227 18375 6740 1 12 . 1 1 15 15 GLN C C 15 176.310 176.310 176.950 -0.640 18375 6741 1 12 . 1 1 15 15 GLN CA C 15 55.570 55.570 54.288 1.282 18375 6742 1 12 . 1 1 15 15 GLN CB C 15 31.180 31.180 31.009 0.171 18375 6743 1 12 . 1 1 15 15 GLN H H 15 7.170 7.170 7.860 -0.690 18375 6744 1 12 . 1 1 16 16 CYS N N 16 118.020 118.020 118.583 -0.563 18375 6745 1 12 . 1 1 16 16 CYS HA H 16 4.590 4.590 4.418 0.172 18375 6746 1 12 . 1 1 16 16 CYS C C 16 176.730 176.730 176.673 0.057 18375 6747 1 12 . 1 1 16 16 CYS CA C 16 61.050 61.050 61.896 -0.846 18375 6748 1 12 . 1 1 16 16 CYS CB C 16 28.600 28.600 28.254 0.346 18375 6749 1 12 . 1 1 16 16 CYS H H 16 9.300 9.300 9.132 0.168 18375 6750 1 12 . 1 1 17 17 THR N N 17 113.910 113.910 110.006 3.904 18375 6751 1 12 . 1 1 17 17 THR HA H 17 3.180 3.180 4.307 -1.127 18375 6752 1 12 . 1 1 17 17 THR C C 17 174.260 174.260 174.830 -0.570 18375 6753 1 12 . 1 1 17 17 THR CA C 17 62.800 62.800 62.838 -0.038 18375 6754 1 12 . 1 1 17 17 THR CB C 17 69.000 69.000 68.368 0.632 18375 6755 1 12 . 1 1 17 17 THR H H 17 7.300 7.300 8.136 -0.836 18375 6756 1 12 . 1 1 18 18 TRP N N 18 123.650 123.650 122.226 1.424 18375 6757 1 12 . 1 1 18 18 TRP HA H 18 4.380 4.380 4.753 -0.373 18375 6758 1 12 . 1 1 18 18 TRP C C 18 177.910 177.910 177.210 0.700 18375 6759 1 12 . 1 1 18 18 TRP CA C 18 61.600 61.600 59.970 1.630 18375 6760 1 12 . 1 1 18 18 TRP CB C 18 31.320 31.320 31.280 0.040 18375 6761 1 12 . 1 1 18 18 TRP H H 18 6.640 6.640 7.617 -0.977 18375 6762 1 12 . 1 1 19 19 TYR N N 19 115.660 115.660 121.245 -5.585 18375 6763 1 12 . 1 1 19 19 TYR HA H 19 4.120 4.120 4.112 0.008 18375 6764 1 12 . 1 1 19 19 TYR C C 19 177.170 177.170 177.557 -0.387 18375 6765 1 12 . 1 1 19 19 TYR CA C 19 61.370 61.370 62.020 -0.650 18375 6766 1 12 . 1 1 19 19 TYR CB C 19 42.110 42.110 38.697 3.413 18375 6767 1 12 . 1 1 19 19 TYR H H 19 7.680 7.680 9.170 -1.490 18375 6768 1 12 . 1 1 20 20 VAL N N 20 116.740 116.740 119.053 -2.313 18375 6769 1 12 . 1 1 20 20 VAL HA H 20 3.030 3.030 3.533 -0.503 18375 6770 1 12 . 1 1 20 20 VAL C C 20 176.410 176.410 177.851 -1.441 18375 6771 1 12 . 1 1 20 20 VAL CA C 20 68.360 68.360 67.249 1.111 18375 6772 1 12 . 1 1 20 20 VAL CB C 20 32.210 32.210 31.959 0.251 18375 6773 1 12 . 1 1 20 20 VAL H H 20 7.450 7.450 7.824 -0.374 18375 6774 1 12 . 1 1 21 21 TYR N N 21 118.550 118.550 120.413 -1.863 18375 6775 1 12 . 1 1 21 21 TYR HA H 21 3.560 3.560 4.357 -0.797 18375 6776 1 12 . 1 1 21 21 TYR C C 21 176.490 176.490 177.127 -0.637 18375 6777 1 12 . 1 1 21 21 TYR CA C 21 63.990 63.990 60.949 3.041 18375 6778 1 12 . 1 1 21 21 TYR CB C 21 38.970 38.970 38.614 0.356 18375 6779 1 12 . 1 1 21 21 TYR H H 21 8.370 8.370 7.555 0.815 18375 6780 1 12 . 1 1 22 22 ASP N N 22 115.760 115.760 119.658 -3.898 18375 6781 1 12 . 1 1 22 22 ASP HA H 22 4.260 4.260 4.128 0.132 18375 6782 1 12 . 1 1 22 22 ASP C C 22 169.690 169.690 178.200 -8.510 18375 6783 1 12 . 1 1 22 22 ASP CA C 22 58.010 58.010 56.517 1.493 18375 6784 1 12 . 1 1 22 22 ASP CB C 22 41.770 41.770 40.720 1.050 18375 6785 1 12 . 1 1 22 22 ASP H H 22 6.880 6.880 7.801 -0.921 18375 6786 1 12 . 1 1 23 23 LYS N N 23 121.790 121.790 117.262 4.528 18375 6787 1 12 . 1 1 23 23 LYS HA H 23 3.610 3.610 3.713 -0.103 18375 6788 1 12 . 1 1 23 23 LYS C C 23 178.360 178.360 178.086 0.274 18375 6789 1 12 . 1 1 23 23 LYS CA C 23 57.990 57.990 57.787 0.203 18375 6790 1 12 . 1 1 23 23 LYS CB C 23 31.350 31.350 31.509 -0.159 18375 6791 1 12 . 1 1 23 23 LYS H H 23 7.820 7.820 7.688 0.132 18375 6792 1 12 . 1 1 24 24 VAL N N 24 108.790 108.790 111.663 -2.873 18375 6793 1 12 . 1 1 24 24 VAL HA H 24 4.390 4.390 4.185 0.205 18375 6794 1 12 . 1 1 24 24 VAL C C 24 176.840 176.840 176.288 0.552 18375 6795 1 12 . 1 1 24 24 VAL CA C 24 61.430 61.430 62.593 -1.163 18375 6796 1 12 . 1 1 24 24 VAL CB C 24 31.690 31.690 31.917 -0.227 18375 6797 1 12 . 1 1 24 24 VAL H H 24 7.590 7.590 7.298 0.292 18375 6798 1 12 . 1 1 25 25 GLY N N 25 110.620 110.620 107.543 3.077 18375 6799 1 12 . 1 1 25 25 GLY C C 25 175.510 175.510 174.832 0.678 18375 6800 1 12 . 1 1 25 25 GLY CA C 25 47.110 47.110 44.443 2.667 18375 6801 1 12 . 1 1 25 25 GLY H H 25 7.680 7.680 6.979 0.701 18375 6802 1 12 . 1 1 26 26 GLY N N 26 122.410 122.410 105.714 16.696 18375 6803 1 12 . 1 1 26 26 GLY C C 26 174.470 174.470 173.270 1.200 18375 6804 1 12 . 1 1 26 26 GLY CA C 26 46.440 46.440 45.219 1.221 18375 6805 1 12 . 1 1 26 26 GLY H H 26 7.870 7.870 7.556 0.314 18375 6806 1 12 . 1 1 27 27 GLU N N 27 116.720 116.720 118.695 -1.975 18375 6807 1 12 . 1 1 27 27 GLU HA H 27 4.150 4.150 4.261 -0.111 18375 6808 1 12 . 1 1 27 27 GLU C C 27 175.810 175.810 175.275 0.535 18375 6809 1 12 . 1 1 27 27 GLU CA C 27 58.110 58.110 56.178 1.932 18375 6810 1 12 . 1 1 27 27 GLU CB C 27 30.500 30.500 31.188 -0.688 18375 6811 1 12 . 1 1 27 27 GLU H H 27 6.650 6.650 8.051 -1.401 18375 6812 1 12 . 1 1 28 28 ILE N N 28 125.210 125.210 115.586 9.624 18375 6813 1 12 . 1 1 28 28 ILE HA H 28 4.040 4.040 4.471 -0.431 18375 6814 1 12 . 1 1 28 28 ILE CA C 28 60.160 60.160 60.063 0.097 18375 6815 1 12 . 1 1 28 28 ILE CB C 28 40.940 40.940 39.610 1.330 18375 6816 1 12 . 1 1 28 28 ILE H H 28 6.330 6.330 7.562 -1.232 18375 6817 1 12 . 1 1 29 29 GLY C C 29 174.050 174.050 175.066 -1.016 18375 6818 1 12 . 1 1 29 29 GLY CA C 29 46.190 46.190 45.892 0.298 18375 6819 1 12 . 1 1 30 30 SER N N 30 115.530 115.530 114.750 0.780 18375 6820 1 12 . 1 1 30 30 SER HA H 30 4.140 4.140 2.894 1.246 18375 6821 1 12 . 1 1 30 30 SER C C 30 174.000 174.000 174.258 -0.258 18375 6822 1 12 . 1 1 30 30 SER CA C 30 60.180 60.180 60.348 -0.168 18375 6823 1 12 . 1 1 30 30 SER CB C 30 65.150 65.150 60.577 4.573 18375 6824 1 12 . 1 1 30 30 SER H H 30 8.540 8.540 6.480 2.060 18375 6825 1 12 . 1 1 31 31 THR N N 31 124.440 124.440 112.635 11.805 18375 6826 1 12 . 1 1 31 31 THR HA H 31 4.460 4.460 4.358 0.102 18375 6827 1 12 . 1 1 31 31 THR C C 31 175.390 175.390 174.988 0.402 18375 6828 1 12 . 1 1 31 31 THR CA C 31 61.350 61.350 61.714 -0.364 18375 6829 1 12 . 1 1 31 31 THR CB C 31 69.190 69.190 68.894 0.296 18375 6830 1 12 . 1 1 31 31 THR H H 31 7.070 7.070 7.636 -0.566 18375 6831 1 12 . 1 1 32 32 TRP N N 32 121.120 121.120 120.315 0.805 18375 6832 1 12 . 1 1 32 32 TRP HA H 32 4.470 4.470 4.405 0.065 18375 6833 1 12 . 1 1 32 32 TRP C C 32 175.720 175.720 176.848 -1.128 18375 6834 1 12 . 1 1 32 32 TRP CA C 32 57.500 57.500 54.643 2.857 18375 6835 1 12 . 1 1 32 32 TRP CB C 32 28.670 28.670 27.830 0.840 18375 6836 1 12 . 1 1 32 32 TRP H H 32 7.750 7.750 6.804 0.946 18375 6837 1 12 . 1 1 33 33 GLY N N 33 125.330 125.330 110.506 14.824 18375 6838 1 12 . 1 1 33 33 GLY C C 33 175.520 175.520 173.722 1.798 18375 6839 1 12 . 1 1 33 33 GLY CA C 33 46.390 46.390 45.537 0.853 18375 6840 1 12 . 1 1 33 33 GLY H H 33 8.580 8.580 7.774 0.806 18375 6841 1 12 . 1 1 34 34 ASN N N 34 118.870 118.870 116.871 1.999 18375 6842 1 12 . 1 1 34 34 ASN HA H 34 4.720 4.720 4.409 0.311 18375 6843 1 12 . 1 1 34 34 ASN C C 34 175.710 175.710 175.668 0.042 18375 6844 1 12 . 1 1 34 34 ASN CA C 34 54.630 54.630 55.209 -0.579 18375 6845 1 12 . 1 1 34 34 ASN CB C 34 40.050 40.050 38.483 1.567 18375 6846 1 12 . 1 1 34 34 ASN H H 34 8.780 8.780 8.320 0.460 18375 6847 1 12 . 1 1 35 35 ALA N N 35 121.960 121.960 123.226 -1.266 18375 6848 1 12 . 1 1 35 35 ALA HA H 35 2.920 2.920 3.679 -0.759 18375 6849 1 12 . 1 1 35 35 ALA C C 35 169.710 169.710 178.789 -9.079 18375 6850 1 12 . 1 1 35 35 ALA CA C 35 55.950 55.950 55.085 0.865 18375 6851 1 12 . 1 1 35 35 ALA CB C 35 20.460 20.460 18.707 1.753 18375 6852 1 12 . 1 1 35 35 ALA H H 35 8.750 8.750 8.595 0.155 18375 6853 1 12 . 1 1 36 36 ASN N N 36 114.940 114.940 114.926 0.014 18375 6854 1 12 . 1 1 36 36 ASN HA H 36 4.170 4.170 4.673 -0.503 18375 6855 1 12 . 1 1 36 36 ASN C C 36 175.200 175.200 175.333 -0.133 18375 6856 1 12 . 1 1 36 36 ASN CA C 36 55.930 55.930 53.553 2.377 18375 6857 1 12 . 1 1 36 36 ASN CB C 36 36.690 36.690 38.284 -1.594 18375 6858 1 12 . 1 1 36 36 ASN H H 36 8.410 8.410 8.424 -0.014 18375 6859 1 12 . 1 1 37 37 ASN N N 37 120.180 120.180 117.570 2.610 18375 6860 1 12 . 1 1 37 37 ASN HA H 37 5.060 5.060 4.970 0.090 18375 6861 1 12 . 1 1 37 37 ASN C C 37 176.530 176.530 176.083 0.447 18375 6862 1 12 . 1 1 37 37 ASN CA C 37 54.250 54.250 52.395 1.855 18375 6863 1 12 . 1 1 37 37 ASN CB C 37 41.720 41.720 39.392 2.328 18375 6864 1 12 . 1 1 37 37 ASN H H 37 8.850 8.850 7.735 1.115 18375 6865 1 12 . 1 1 38 38 TRP N N 38 118.410 118.410 123.510 -5.100 18375 6866 1 12 . 1 1 38 38 TRP HA H 38 4.190 4.190 4.308 -0.118 18375 6867 1 12 . 1 1 38 38 TRP C C 38 177.390 177.390 178.066 -0.676 18375 6868 1 12 . 1 1 38 38 TRP CA C 38 63.450 63.450 63.078 0.372 18375 6869 1 12 . 1 1 38 38 TRP CB C 38 29.680 29.680 28.976 0.704 18375 6870 1 12 . 1 1 38 38 TRP H H 38 8.240 8.240 7.840 0.400 18375 6871 1 12 . 1 1 39 39 ALA N N 39 118.400 118.400 120.557 -2.157 18375 6872 1 12 . 1 1 39 39 ALA HA H 39 3.770 3.770 3.966 -0.197 18375 6873 1 12 . 1 1 39 39 ALA C C 39 178.580 178.580 179.449 -0.869 18375 6874 1 12 . 1 1 39 39 ALA CA C 39 56.760 56.760 55.714 1.046 18375 6875 1 12 . 1 1 39 39 ALA CB C 39 18.020 18.020 17.416 0.604 18375 6876 1 12 . 1 1 39 39 ALA H H 39 7.150 7.150 8.870 -1.720 18375 6877 1 12 . 1 1 40 40 ALA N N 40 121.830 121.830 121.522 0.308 18375 6878 1 12 . 1 1 40 40 ALA HA H 40 3.990 3.990 3.995 -0.005 18375 6879 1 12 . 1 1 40 40 ALA C C 40 171.320 171.320 179.410 -8.090 18375 6880 1 12 . 1 1 40 40 ALA CA C 40 55.610 55.610 54.705 0.905 18375 6881 1 12 . 1 1 40 40 ALA CB C 40 18.840 18.840 18.249 0.591 18375 6882 1 12 . 1 1 40 40 ALA H H 40 8.060 8.060 7.974 0.086 18375 6883 1 12 . 1 1 41 41 ALA N N 41 122.200 122.200 120.177 2.023 18375 6884 1 12 . 1 1 41 41 ALA HA H 41 3.630 3.630 3.944 -0.314 18375 6885 1 12 . 1 1 41 41 ALA C C 41 170.110 170.110 179.266 -9.156 18375 6886 1 12 . 1 1 41 41 ALA CA C 41 55.240 55.240 54.683 0.557 18375 6887 1 12 . 1 1 41 41 ALA CB C 41 18.020 18.020 18.677 -0.657 18375 6888 1 12 . 1 1 41 41 ALA H H 41 8.250 8.250 8.079 0.171 18375 6889 1 12 . 1 1 42 42 ALA N N 42 119.600 119.600 121.401 -1.801 18375 6890 1 12 . 1 1 42 42 ALA HA H 42 3.270 3.270 3.237 0.033 18375 6891 1 12 . 1 1 42 42 ALA C C 42 170.160 170.160 179.436 -9.276 18375 6892 1 12 . 1 1 42 42 ALA CA C 42 55.480 55.480 54.439 1.041 18375 6893 1 12 . 1 1 42 42 ALA CB C 42 19.890 19.890 18.381 1.509 18375 6894 1 12 . 1 1 42 42 ALA H H 42 7.710 7.710 8.480 -0.770 18375 6895 1 12 . 1 1 43 43 GLN N N 43 118.750 118.750 117.435 1.315 18375 6896 1 12 . 1 1 43 43 GLN HA H 43 4.340 4.340 3.985 0.355 18375 6897 1 12 . 1 1 43 43 GLN C C 43 170.980 170.980 178.648 -7.668 18375 6898 1 12 . 1 1 43 43 GLN CA C 43 60.200 60.200 58.031 2.169 18375 6899 1 12 . 1 1 43 43 GLN CB C 43 29.710 29.710 28.923 0.787 18375 6900 1 12 . 1 1 43 43 GLN H H 43 7.880 7.880 8.168 -0.288 18375 6901 1 12 . 1 1 44 44 GLY N N 44 125.760 125.760 105.494 20.266 18375 6902 1 12 . 1 1 44 44 GLY C C 44 174.300 174.300 174.544 -0.244 18375 6903 1 12 . 1 1 44 44 GLY CA C 44 47.660 47.660 45.643 2.017 18375 6904 1 12 . 1 1 44 44 GLY H H 44 8.010 8.010 7.612 0.398 18375 6905 1 12 . 1 1 45 45 ALA N N 45 121.480 121.480 122.641 -1.161 18375 6906 1 12 . 1 1 45 45 ALA HA H 45 4.620 4.620 4.343 0.277 18375 6907 1 12 . 1 1 45 45 ALA C C 45 177.190 177.190 177.038 0.152 18375 6908 1 12 . 1 1 45 45 ALA CA C 45 52.680 52.680 51.757 0.923 18375 6909 1 12 . 1 1 45 45 ALA CB C 45 20.560 20.560 18.939 1.621 18375 6910 1 12 . 1 1 45 45 ALA H H 45 7.540 7.540 7.177 0.363 18375 6911 1 12 . 1 1 46 46 GLY N N 46 123.690 123.690 105.714 17.976 18375 6912 1 12 . 1 1 46 46 GLY C C 46 174.980 174.980 173.590 1.390 18375 6913 1 12 . 1 1 46 46 GLY CA C 46 46.540 46.540 44.710 1.830 18375 6914 1 12 . 1 1 46 46 GLY H H 46 7.680 7.680 7.176 0.504 18375 6915 1 12 . 1 1 47 47 PHE N N 47 119.960 119.960 119.379 0.581 18375 6916 1 12 . 1 1 47 47 PHE HA H 47 4.620 4.620 4.689 -0.069 18375 6917 1 12 . 1 1 47 47 PHE C C 47 176.120 176.120 175.053 1.067 18375 6918 1 12 . 1 1 47 47 PHE CA C 47 59.000 59.000 53.962 5.038 18375 6919 1 12 . 1 1 47 47 PHE CB C 47 40.350 40.350 40.600 -0.250 18375 6920 1 12 . 1 1 47 47 PHE H H 47 8.280 8.280 7.615 0.665 18375 6921 1 12 . 1 1 48 48 THR N N 48 120.680 120.680 119.415 1.265 18375 6922 1 12 . 1 1 48 48 THR HA H 48 4.190 4.190 4.527 -0.337 18375 6923 1 12 . 1 1 48 48 THR C C 48 173.000 173.000 172.822 0.178 18375 6924 1 12 . 1 1 48 48 THR CA C 48 65.150 65.150 61.860 3.290 18375 6925 1 12 . 1 1 48 48 THR CB C 48 70.530 70.530 69.096 1.434 18375 6926 1 12 . 1 1 48 48 THR H H 48 9.260 9.260 8.940 0.320 18375 6927 1 12 . 1 1 49 49 VAL N N 49 111.320 111.320 124.136 -12.816 18375 6928 1 12 . 1 1 49 49 VAL HA H 49 5.380 5.380 5.116 0.264 18375 6929 1 12 . 1 1 49 49 VAL C C 49 175.570 175.570 175.127 0.443 18375 6930 1 12 . 1 1 49 49 VAL CA C 49 61.510 61.510 59.783 1.727 18375 6931 1 12 . 1 1 49 49 VAL CB C 49 34.960 34.960 34.085 0.875 18375 6932 1 12 . 1 1 49 49 VAL H H 49 8.560 8.560 8.519 0.041 18375 6933 1 12 . 1 1 50 50 ASN N N 50 125.000 125.000 126.099 -1.099 18375 6934 1 12 . 1 1 50 50 ASN HA H 50 4.800 4.800 5.072 -0.272 18375 6935 1 12 . 1 1 50 50 ASN C C 50 174.270 174.270 174.287 -0.017 18375 6936 1 12 . 1 1 50 50 ASN CA C 50 53.430 53.430 52.877 0.553 18375 6937 1 12 . 1 1 50 50 ASN CB C 50 39.100 39.100 39.194 -0.094 18375 6938 1 12 . 1 1 50 50 ASN H H 50 9.010 9.010 9.075 -0.065 18375 6939 1 12 . 1 1 51 51 HIS N N 51 114.650 114.650 116.160 -1.510 18375 6940 1 12 . 1 1 51 51 HIS HA H 51 5.760 5.760 4.386 1.374 18375 6941 1 12 . 1 1 51 51 HIS C C 51 174.060 174.060 173.025 1.035 18375 6942 1 12 . 1 1 51 51 HIS CA C 51 56.360 56.360 56.648 -0.288 18375 6943 1 12 . 1 1 51 51 HIS CB C 51 29.980 29.980 27.082 2.898 18375 6944 1 12 . 1 1 51 51 HIS H H 51 8.550 8.550 8.486 0.064 18375 6945 1 12 . 1 1 52 52 THR N N 52 119.910 119.910 115.760 4.150 18375 6946 1 12 . 1 1 52 52 THR HA H 52 4.600 4.600 4.518 0.082 18375 6947 1 12 . 1 1 52 52 THR CA C 52 60.140 60.140 59.066 1.074 18375 6948 1 12 . 1 1 52 52 THR CB C 52 71.890 71.890 70.906 0.984 18375 6949 1 12 . 1 1 52 52 THR H H 52 8.500 8.500 7.611 0.889 18375 6950 1 12 . 1 1 53 53 PRO HA H 53 2.920 2.920 4.214 -1.294 18375 6951 1 12 . 1 1 53 53 PRO C C 53 175.410 175.410 175.324 0.086 18375 6952 1 12 . 1 1 53 53 PRO CA C 53 62.460 62.460 62.905 -0.445 18375 6953 1 12 . 1 1 53 53 PRO CB C 53 33.410 33.410 32.217 1.193 18375 6954 1 12 . 1 1 54 54 SER N N 54 108.990 108.990 116.626 -7.636 18375 6955 1 12 . 1 1 54 54 SER HA H 54 4.300 4.300 4.443 -0.143 18375 6956 1 12 . 1 1 54 54 SER C C 54 172.380 172.380 172.809 -0.429 18375 6957 1 12 . 1 1 54 54 SER CA C 54 58.270 58.270 57.122 1.148 18375 6958 1 12 . 1 1 54 54 SER CB C 54 66.620 66.620 64.242 2.378 18375 6959 1 12 . 1 1 54 54 SER H H 54 6.000 6.000 7.807 -1.807 18375 6960 1 12 . 1 1 55 55 LYS N N 55 124.470 124.470 125.033 -0.563 18375 6961 1 12 . 1 1 55 55 LYS HA H 55 3.500 3.500 3.783 -0.283 18375 6962 1 12 . 1 1 55 55 LYS C C 55 177.150 177.150 177.638 -0.488 18375 6963 1 12 . 1 1 55 55 LYS CA C 55 59.850 59.850 57.805 2.045 18375 6964 1 12 . 1 1 55 55 LYS CB C 55 33.010 33.010 32.174 0.836 18375 6965 1 12 . 1 1 55 55 LYS H H 55 8.860 8.860 8.670 0.190 18375 6966 1 12 . 1 1 56 56 GLY N N 56 116.710 116.710 114.263 2.447 18375 6967 1 12 . 1 1 56 56 GLY C C 56 173.430 173.430 173.145 0.285 18375 6968 1 12 . 1 1 56 56 GLY CA C 56 45.600 45.600 45.135 0.465 18375 6969 1 12 . 1 1 56 56 GLY H H 56 8.950 8.950 8.472 0.478 18375 6970 1 12 . 1 1 57 57 ALA N N 57 118.940 118.940 120.799 -1.859 18375 6971 1 12 . 1 1 57 57 ALA HA H 57 4.630 4.630 4.849 -0.219 18375 6972 1 12 . 1 1 57 57 ALA C C 57 174.570 174.570 174.789 -0.219 18375 6973 1 12 . 1 1 57 57 ALA CA C 57 51.840 51.840 50.598 1.242 18375 6974 1 12 . 1 1 57 57 ALA CB C 57 20.960 20.960 21.928 -0.968 18375 6975 1 12 . 1 1 57 57 ALA H H 57 7.420 7.420 7.465 -0.045 18375 6976 1 12 . 1 1 58 58 ILE N N 58 117.340 117.340 117.155 0.185 18375 6977 1 12 . 1 1 58 58 ILE HA H 58 4.720 4.720 4.446 0.274 18375 6978 1 12 . 1 1 58 58 ILE C C 58 176.920 176.920 174.143 2.777 18375 6979 1 12 . 1 1 58 58 ILE CA C 58 60.910 60.910 60.545 0.365 18375 6980 1 12 . 1 1 58 58 ILE CB C 58 41.820 41.820 42.010 -0.190 18375 6981 1 12 . 1 1 58 58 ILE H H 58 8.350 8.350 8.403 -0.053 18375 6982 1 12 . 1 1 59 59 LEU N N 59 112.330 112.330 125.438 -13.108 18375 6983 1 12 . 1 1 59 59 LEU HA H 59 4.220 4.220 4.715 -0.495 18375 6984 1 12 . 1 1 59 59 LEU C C 59 174.530 174.530 175.066 -0.536 18375 6985 1 12 . 1 1 59 59 LEU CA C 59 56.430 56.430 54.366 2.064 18375 6986 1 12 . 1 1 59 59 LEU CB C 59 44.160 44.160 43.924 0.236 18375 6987 1 12 . 1 1 59 59 LEU H H 59 8.430 8.430 8.811 -0.381 18375 6988 1 12 . 1 1 60 60 GLN N N 60 111.170 111.170 124.195 -13.025 18375 6989 1 12 . 1 1 60 60 GLN HA H 60 4.970 4.970 5.203 -0.233 18375 6990 1 12 . 1 1 60 60 GLN C C 60 172.980 172.980 174.132 -1.152 18375 6991 1 12 . 1 1 60 60 GLN CA C 60 56.720 56.720 54.133 2.587 18375 6992 1 12 . 1 1 60 60 GLN CB C 60 30.950 30.950 33.086 -2.136 18375 6993 1 12 . 1 1 60 60 GLN H H 60 9.490 9.490 8.273 1.217 18375 6994 1 12 . 1 1 61 61 SER N N 61 118.550 118.550 117.943 0.607 18375 6995 1 12 . 1 1 61 61 SER HA H 61 4.940 4.940 4.850 0.090 18375 6996 1 12 . 1 1 61 61 SER C C 61 174.370 174.370 172.971 1.399 18375 6997 1 12 . 1 1 61 61 SER CA C 61 56.570 56.570 56.868 -0.298 18375 6998 1 12 . 1 1 61 61 SER CB C 61 67.130 67.130 64.479 2.651 18375 6999 1 12 . 1 1 61 61 SER H H 61 8.800 8.800 8.545 0.255 18375 7000 1 12 . 1 1 62 62 SER N N 62 120.910 120.910 118.253 2.657 18375 7001 1 12 . 1 1 62 62 SER HA H 62 4.540 4.540 4.788 -0.248 18375 7002 1 12 . 1 1 62 62 SER C C 62 173.560 173.560 174.760 -1.200 18375 7003 1 12 . 1 1 62 62 SER CA C 62 59.270 59.270 58.262 1.008 18375 7004 1 12 . 1 1 62 62 SER CB C 62 64.390 64.390 63.773 0.617 18375 7005 1 12 . 1 1 62 62 SER H H 62 8.900 8.900 8.849 0.051 18375 7006 1 12 . 1 1 63 63 GLU N N 63 121.810 121.810 120.742 1.068 18375 7007 1 12 . 1 1 63 63 GLU HA H 63 4.220 4.220 4.364 -0.144 18375 7008 1 12 . 1 1 63 63 GLU C C 63 176.030 176.030 176.147 -0.117 18375 7009 1 12 . 1 1 63 63 GLU CA C 63 57.840 57.840 56.965 0.875 18375 7010 1 12 . 1 1 63 63 GLU CB C 63 32.170 32.170 30.090 2.080 18375 7011 1 12 . 1 1 63 63 GLU H H 63 8.040 8.040 7.845 0.195 18375 7012 1 12 . 1 1 64 64 GLY N N 64 125.900 125.900 107.309 18.591 18375 7013 1 12 . 1 1 64 64 GLY CA C 64 45.490 45.490 43.077 2.413 18375 7014 1 12 . 1 1 64 64 GLY H H 64 8.200 8.200 7.608 0.592 18375 7015 1 12 . 1 1 65 65 PRO HA H 65 4.040 4.040 4.222 -0.182 18375 7016 1 12 . 1 1 65 65 PRO C C 65 177.870 177.870 176.328 1.542 18375 7017 1 12 . 1 1 65 65 PRO CA C 65 65.610 65.610 64.686 0.924 18375 7018 1 12 . 1 1 65 65 PRO CB C 65 32.160 32.160 31.932 0.228 18375 7019 1 12 . 1 1 66 66 PHE N N 66 112.970 112.970 116.074 -3.104 18375 7020 1 12 . 1 1 66 66 PHE HA H 66 4.920 4.920 4.714 0.206 18375 7021 1 12 . 1 1 66 66 PHE C C 66 176.190 176.190 175.945 0.245 18375 7022 1 12 . 1 1 66 66 PHE CA C 66 57.420 57.420 57.657 -0.237 18375 7023 1 12 . 1 1 66 66 PHE CB C 66 42.360 42.360 39.856 2.504 18375 7024 1 12 . 1 1 66 66 PHE H H 66 8.490 8.490 8.244 0.246 18375 7025 1 12 . 1 1 67 67 GLY N N 67 124.370 124.370 108.030 16.340 18375 7026 1 12 . 1 1 67 67 GLY C C 67 172.480 172.480 172.363 0.117 18375 7027 1 12 . 1 1 67 67 GLY CA C 67 46.860 46.860 44.929 1.931 18375 7028 1 12 . 1 1 67 67 GLY H H 67 6.940 6.940 7.708 -0.768 18375 7029 1 12 . 1 1 68 68 HIS N N 68 117.820 117.820 120.268 -2.448 18375 7030 1 12 . 1 1 68 68 HIS HA H 68 5.020 5.020 4.942 0.078 18375 7031 1 12 . 1 1 68 68 HIS C C 68 173.790 173.790 172.438 1.352 18375 7032 1 12 . 1 1 68 68 HIS CA C 68 58.230 58.230 54.803 3.426 18375 7033 1 12 . 1 1 68 68 HIS CB C 68 36.120 36.120 31.900 4.220 18375 7034 1 12 . 1 1 68 68 HIS H H 68 8.590 8.590 8.257 0.333 18375 7035 1 12 . 1 1 69 69 VAL N N 69 116.830 116.830 123.234 -6.404 18375 7036 1 12 . 1 1 69 69 VAL HA H 69 5.320 5.320 5.026 0.294 18375 7037 1 12 . 1 1 69 69 VAL C C 69 173.060 173.060 173.261 -0.201 18375 7038 1 12 . 1 1 69 69 VAL CA C 69 58.940 58.940 58.934 0.007 18375 7039 1 12 . 1 1 69 69 VAL CB C 69 37.700 37.700 33.048 4.652 18375 7040 1 12 . 1 1 69 69 VAL H H 69 6.040 6.040 7.998 -1.958 18375 7041 1 12 . 1 1 70 70 ALA N N 70 120.820 120.820 127.558 -6.738 18375 7042 1 12 . 1 1 70 70 ALA HA H 70 4.510 4.510 4.659 -0.149 18375 7043 1 12 . 1 1 70 70 ALA C C 70 173.870 173.870 175.247 -1.377 18375 7044 1 12 . 1 1 70 70 ALA CA C 70 51.560 51.560 50.749 0.811 18375 7045 1 12 . 1 1 70 70 ALA CB C 70 26.390 26.390 22.177 4.213 18375 7046 1 12 . 1 1 70 70 ALA H H 70 8.890 8.890 8.158 0.732 18375 7047 1 12 . 1 1 71 71 TYR N N 71 121.640 121.640 126.413 -4.773 18375 7048 1 12 . 1 1 71 71 TYR HA H 71 4.890 4.890 4.414 0.476 18375 7049 1 12 . 1 1 71 71 TYR C C 71 174.620 174.620 174.183 0.437 18375 7050 1 12 . 1 1 71 71 TYR CA C 71 58.140 58.140 58.424 -0.284 18375 7051 1 12 . 1 1 71 71 TYR CB C 71 42.850 42.850 39.670 3.180 18375 7052 1 12 . 1 1 71 71 TYR H H 71 9.310 9.310 8.303 1.007 18375 7053 1 12 . 1 1 72 72 VAL N N 72 126.010 126.010 127.421 -1.411 18375 7054 1 12 . 1 1 72 72 VAL HA H 72 3.880 3.880 3.837 0.043 18375 7055 1 12 . 1 1 72 72 VAL C C 72 174.250 174.250 175.506 -1.256 18375 7056 1 12 . 1 1 72 72 VAL CA C 72 64.970 64.970 62.247 2.723 18375 7057 1 12 . 1 1 72 72 VAL CB C 72 31.470 31.470 30.631 0.839 18375 7058 1 12 . 1 1 72 72 VAL H H 72 8.230 8.230 8.551 -0.321 18375 7059 1 12 . 1 1 73 73 GLU N N 73 112.690 112.690 128.248 -15.558 18375 7060 1 12 . 1 1 73 73 GLU HA H 73 4.250 4.250 4.288 -0.038 18375 7061 1 12 . 1 1 73 73 GLU C C 73 178.020 178.020 176.567 1.453 18375 7062 1 12 . 1 1 73 73 GLU CA C 73 58.400 58.400 57.611 0.789 18375 7063 1 12 . 1 1 73 73 GLU CB C 73 31.050 31.050 30.704 0.346 18375 7064 1 12 . 1 1 73 73 GLU H H 73 8.820 8.820 8.444 0.376 18375 7065 1 12 . 1 1 74 74 SER N N 74 125.880 125.880 110.768 15.112 18375 7066 1 12 . 1 1 74 74 SER HA H 74 4.330 4.330 4.514 -0.184 18375 7067 1 12 . 1 1 74 74 SER C C 74 172.030 172.030 171.770 0.260 18375 7068 1 12 . 1 1 74 74 SER CA C 74 59.220 59.220 57.898 1.322 18375 7069 1 12 . 1 1 74 74 SER CB C 74 65.620 65.620 65.039 0.581 18375 7070 1 12 . 1 1 74 74 SER H H 74 7.900 7.900 7.760 0.140 18375 7071 1 12 . 1 1 75 75 VAL N N 75 122.760 122.760 123.001 -0.241 18375 7072 1 12 . 1 1 75 75 VAL HA H 75 4.320 4.320 4.189 0.131 18375 7073 1 12 . 1 1 75 75 VAL C C 75 176.270 176.270 174.616 1.654 18375 7074 1 12 . 1 1 75 75 VAL CA C 75 63.380 63.380 60.311 3.069 18375 7075 1 12 . 1 1 75 75 VAL CB C 75 32.750 32.750 33.771 -1.021 18375 7076 1 12 . 1 1 75 75 VAL H H 75 8.400 8.400 8.488 -0.088 18375 7077 1 12 . 1 1 76 76 ASN N N 76 125.270 125.270 126.319 -1.049 18375 7078 1 12 . 1 1 76 76 ASN HA H 76 4.790 4.790 4.837 -0.047 18375 7079 1 12 . 1 1 76 76 ASN CA C 76 54.260 54.260 52.824 1.436 18375 7080 1 12 . 1 1 76 76 ASN CB C 76 39.960 39.960 39.140 0.820 18375 7081 1 12 . 1 1 76 76 ASN H H 76 9.080 9.080 8.905 0.175 18375 7082 1 12 . 1 1 77 77 SER HA H 77 4.130 4.130 4.233 -0.103 18375 7083 1 12 . 1 1 77 77 SER C C 77 174.410 174.410 174.995 -0.585 18375 7084 1 12 . 1 1 77 77 SER CA C 77 62.670 62.670 60.817 1.853 18375 7085 1 12 . 1 1 77 77 SER CB C 77 63.600 63.600 62.925 0.675 18375 7086 1 12 . 1 1 78 78 ASP N N 78 118.590 118.590 117.932 0.658 18375 7087 1 12 . 1 1 78 78 ASP HA H 78 4.580 4.580 4.558 0.022 18375 7088 1 12 . 1 1 78 78 ASP C C 78 176.790 176.790 177.298 -0.508 18375 7089 1 12 . 1 1 78 78 ASP CA C 78 53.960 53.960 53.890 0.070 18375 7090 1 12 . 1 1 78 78 ASP CB C 78 40.880 40.880 40.695 0.185 18375 7091 1 12 . 1 1 78 78 ASP H H 78 7.980 7.980 7.885 0.095 18375 7092 1 12 . 1 1 79 79 GLY N N 79 109.220 109.220 107.095 2.125 18375 7093 1 12 . 1 1 79 79 GLY C C 79 173.470 173.470 174.079 -0.609 18375 7094 1 12 . 1 1 79 79 GLY CA C 79 46.050 46.050 44.714 1.336 18375 7095 1 12 . 1 1 79 79 GLY H H 79 8.180 8.180 7.850 0.330 18375 7096 1 12 . 1 1 80 80 SER N N 80 114.200 114.200 119.170 -4.970 18375 7097 1 12 . 1 1 80 80 SER HA H 80 4.350 4.350 4.832 -0.482 18375 7098 1 12 . 1 1 80 80 SER C C 80 172.630 172.630 174.457 -1.827 18375 7099 1 12 . 1 1 80 80 SER CA C 80 59.580 59.580 58.792 0.788 18375 7100 1 12 . 1 1 80 80 SER CB C 80 65.710 65.710 64.693 1.017 18375 7101 1 12 . 1 1 80 80 SER H H 80 7.930 7.930 8.254 -0.324 18375 7102 1 12 . 1 1 81 81 VAL N N 81 118.060 118.060 116.918 1.142 18375 7103 1 12 . 1 1 81 81 VAL HA H 81 4.690 4.690 4.526 0.164 18375 7104 1 12 . 1 1 81 81 VAL C C 81 175.220 175.220 175.349 -0.129 18375 7105 1 12 . 1 1 81 81 VAL CA C 81 61.980 61.980 60.366 1.614 18375 7106 1 12 . 1 1 81 81 VAL CB C 81 36.810 36.810 33.450 3.360 18375 7107 1 12 . 1 1 81 81 VAL H H 81 8.820 8.820 8.906 -0.086 18375 7108 1 12 . 1 1 82 82 THR N N 82 125.170 125.170 123.070 2.100 18375 7109 1 12 . 1 1 82 82 THR HA H 82 5.190 5.190 5.087 0.103 18375 7110 1 12 . 1 1 82 82 THR C C 82 174.150 174.150 174.026 0.124 18375 7111 1 12 . 1 1 82 82 THR CA C 82 63.440 63.440 62.305 1.135 18375 7112 1 12 . 1 1 82 82 THR CB C 82 70.520 70.520 69.395 1.125 18375 7113 1 12 . 1 1 82 82 THR H H 82 9.020 9.020 8.752 0.268 18375 7114 1 12 . 1 1 83 83 ILE N N 83 120.970 120.970 122.962 -1.992 18375 7115 1 12 . 1 1 83 83 ILE HA H 83 5.640 5.640 5.009 0.631 18375 7116 1 12 . 1 1 83 83 ILE C C 83 175.030 175.030 173.757 1.273 18375 7117 1 12 . 1 1 83 83 ILE CA C 83 59.440 59.440 58.614 0.826 18375 7118 1 12 . 1 1 83 83 ILE CB C 83 42.170 42.170 41.696 0.474 18375 7119 1 12 . 1 1 83 83 ILE H H 83 9.280 9.280 8.419 0.861 18375 7120 1 12 . 1 1 84 84 SER N N 84 115.430 115.430 116.876 -1.446 18375 7121 1 12 . 1 1 84 84 SER HA H 84 5.590 5.590 5.330 0.260 18375 7122 1 12 . 1 1 84 84 SER C C 84 173.130 173.130 173.464 -0.334 18375 7123 1 12 . 1 1 84 84 SER CA C 84 58.050 58.050 57.266 0.784 18375 7124 1 12 . 1 1 84 84 SER CB C 84 67.140 67.140 65.169 1.970 18375 7125 1 12 . 1 1 84 84 SER H H 84 9.600 9.600 9.107 0.493 18375 7126 1 12 . 1 1 85 85 GLU N N 85 117.660 117.660 124.717 -7.057 18375 7127 1 12 . 1 1 85 85 GLU HA H 85 5.180 5.180 4.947 0.233 18375 7128 1 12 . 1 1 85 85 GLU C C 85 171.780 171.780 174.797 -3.017 18375 7129 1 12 . 1 1 85 85 GLU CA C 85 54.880 54.880 54.614 0.266 18375 7130 1 12 . 1 1 85 85 GLU CB C 85 33.540 33.540 31.646 1.894 18375 7131 1 12 . 1 1 85 85 GLU H H 85 8.800 8.800 8.966 -0.166 18375 7132 1 12 . 1 1 86 86 MET N N 86 118.950 118.950 128.296 -9.346 18375 7133 1 12 . 1 1 86 86 MET HA H 86 5.250 5.250 4.340 0.910 18375 7134 1 12 . 1 1 86 86 MET C C 86 175.010 175.010 176.200 -1.190 18375 7135 1 12 . 1 1 86 86 MET CA C 86 53.880 53.880 56.561 -2.681 18375 7136 1 12 . 1 1 86 86 MET CB C 86 38.240 38.240 32.168 6.072 18375 7137 1 12 . 1 1 86 86 MET H H 86 8.490 8.490 8.898 -0.408 18375 7138 1 12 . 1 1 87 87 ASN N N 87 116.670 116.670 126.496 -9.826 18375 7139 1 12 . 1 1 87 87 ASN HA H 87 4.190 4.190 4.334 -0.144 18375 7140 1 12 . 1 1 87 87 ASN C C 87 174.810 174.810 175.684 -0.874 18375 7141 1 12 . 1 1 87 87 ASN CA C 87 54.520 54.520 56.628 -2.108 18375 7142 1 12 . 1 1 87 87 ASN CB C 87 39.330 39.330 37.453 1.877 18375 7143 1 12 . 1 1 87 87 ASN H H 87 8.250 8.250 9.394 -1.144 18375 7144 1 12 . 1 1 88 88 TYR N N 88 119.600 119.600 117.358 2.242 18375 7145 1 12 . 1 1 88 88 TYR HA H 88 4.290 4.290 4.012 0.278 18375 7146 1 12 . 1 1 88 88 TYR C C 88 175.620 175.620 174.281 1.339 18375 7147 1 12 . 1 1 88 88 TYR CA C 88 60.720 60.720 61.171 -0.451 18375 7148 1 12 . 1 1 88 88 TYR CB C 88 41.430 41.430 37.706 3.724 18375 7149 1 12 . 1 1 88 88 TYR H H 88 8.940 8.940 8.568 0.372 18375 7150 1 12 . 1 1 89 89 SER N N 89 113.120 113.120 115.816 -2.696 18375 7151 1 12 . 1 1 89 89 SER HA H 89 4.320 4.320 4.473 -0.153 18375 7152 1 12 . 1 1 89 89 SER C C 89 174.860 174.860 173.134 1.726 18375 7153 1 12 . 1 1 89 89 SER CA C 89 58.690 58.690 57.852 0.838 18375 7154 1 12 . 1 1 89 89 SER CB C 89 65.140 65.140 63.725 1.415 18375 7155 1 12 . 1 1 89 89 SER H H 89 8.060 8.060 7.928 0.132 18375 7156 1 12 . 1 1 90 90 GLY N N 90 110.450 110.450 111.719 -1.269 18375 7157 1 12 . 1 1 90 90 GLY C C 90 174.680 174.680 173.523 1.157 18375 7158 1 12 . 1 1 90 90 GLY CA C 90 45.950 45.950 45.998 -0.048 18375 7159 1 12 . 1 1 90 90 GLY H H 90 8.180 8.180 7.774 0.406 18375 7160 1 12 . 1 1 91 91 GLY N N 91 108.710 108.710 112.056 -3.346 18375 7161 1 12 . 1 1 91 91 GLY CA C 91 45.880 45.880 43.000 2.880 18375 7162 1 12 . 1 1 91 91 GLY H H 91 8.330 8.330 8.335 -0.005 18375 7163 1 12 . 1 1 92 92 PRO HA H 92 4.040 4.040 4.255 -0.215 18375 7164 1 12 . 1 1 92 92 PRO C C 92 177.930 177.930 176.367 1.563 18375 7165 1 12 . 1 1 92 92 PRO CA C 92 64.710 64.710 63.635 1.075 18375 7166 1 12 . 1 1 92 92 PRO CB C 92 32.690 32.690 31.511 1.179 18375 7167 1 12 . 1 1 93 93 PHE N N 93 113.220 113.220 119.105 -5.885 18375 7168 1 12 . 1 1 93 93 PHE HA H 93 4.480 4.480 4.022 0.458 18375 7169 1 12 . 1 1 93 93 PHE C C 93 174.490 174.490 175.412 -0.922 18375 7170 1 12 . 1 1 93 93 PHE CA C 93 62.890 62.890 59.370 3.520 18375 7171 1 12 . 1 1 93 93 PHE CB C 93 37.410 37.410 37.444 -0.034 18375 7172 1 12 . 1 1 93 93 PHE H H 93 8.350 8.350 8.099 0.251 18375 7173 1 12 . 1 1 94 94 SER N N 94 115.680 115.680 118.082 -2.402 18375 7174 1 12 . 1 1 94 94 SER HA H 94 4.620 4.620 4.439 0.181 18375 7175 1 12 . 1 1 94 94 SER C C 94 174.290 174.290 174.980 -0.690 18375 7176 1 12 . 1 1 94 94 SER CA C 94 59.150 59.150 58.896 0.254 18375 7177 1 12 . 1 1 94 94 SER CB C 94 64.690 64.690 62.556 2.134 18375 7178 1 12 . 1 1 94 94 SER H H 94 7.980 7.980 7.887 0.093 18375 7179 1 12 . 1 1 95 95 VAL N N 95 112.520 112.520 127.671 -15.151 18375 7180 1 12 . 1 1 95 95 VAL HA H 95 4.830 4.830 3.924 0.906 18375 7181 1 12 . 1 1 95 95 VAL C C 95 175.770 175.770 174.491 1.279 18375 7182 1 12 . 1 1 95 95 VAL CA C 95 62.520 62.520 62.043 0.477 18375 7183 1 12 . 1 1 95 95 VAL CB C 95 34.010 34.010 30.785 3.225 18375 7184 1 12 . 1 1 95 95 VAL H H 95 8.840 8.840 8.006 0.834 18375 7185 1 12 . 1 1 96 96 SER N N 96 122.260 122.260 123.794 -1.534 18375 7186 1 12 . 1 1 96 96 SER HA H 96 4.810 4.810 4.525 0.285 18375 7187 1 12 . 1 1 96 96 SER C C 96 172.250 172.250 173.938 -1.688 18375 7188 1 12 . 1 1 96 96 SER CA C 96 58.080 58.080 57.986 0.094 18375 7189 1 12 . 1 1 96 96 SER CB C 96 66.590 66.590 63.451 3.139 18375 7190 1 12 . 1 1 96 96 SER H H 96 9.190 9.190 9.119 0.071 18375 7191 1 12 . 1 1 97 97 SER N N 97 112.810 112.810 123.812 -11.002 18375 7192 1 12 . 1 1 97 97 SER HA H 97 5.620 5.620 5.217 0.403 18375 7193 1 12 . 1 1 97 97 SER C C 97 174.130 174.130 174.136 -0.006 18375 7194 1 12 . 1 1 97 97 SER CA C 97 57.260 57.260 58.027 -0.767 18375 7195 1 12 . 1 1 97 97 SER CB C 97 66.740 66.740 64.053 2.687 18375 7196 1 12 . 1 1 97 97 SER H H 97 8.290 8.290 8.732 -0.442 18375 7197 1 12 . 1 1 98 98 ARG N N 98 122.640 122.640 125.572 -2.932 18375 7198 1 12 . 1 1 98 98 ARG HA H 98 4.650 4.650 4.762 -0.112 18375 7199 1 12 . 1 1 98 98 ARG C C 98 174.030 174.030 174.800 -0.770 18375 7200 1 12 . 1 1 98 98 ARG CA C 98 56.640 56.640 54.414 2.226 18375 7201 1 12 . 1 1 98 98 ARG CB C 98 36.240 36.240 33.415 2.825 18375 7202 1 12 . 1 1 98 98 ARG H H 98 8.380 8.380 8.026 0.354 18375 7203 1 12 . 1 1 99 99 THR N N 99 118.220 118.220 117.384 0.836 18375 7204 1 12 . 1 1 99 99 THR HA H 99 5.280 5.280 5.307 -0.027 18375 7205 1 12 . 1 1 99 99 THR C C 99 173.930 173.930 173.898 0.032 18375 7206 1 12 . 1 1 99 99 THR CA C 99 62.820 62.820 61.697 1.123 18375 7207 1 12 . 1 1 99 99 THR CB C 99 71.360 71.360 69.713 1.647 18375 7208 1 12 . 1 1 99 99 THR H H 99 8.650 8.650 8.404 0.246 18375 7209 1 12 . 1 1 100 100 ILE N N 100 112.130 112.130 128.074 -15.944 18375 7210 1 12 . 1 1 100 100 ILE HA H 100 4.290 4.290 4.327 -0.037 18375 7211 1 12 . 1 1 100 100 ILE C C 100 175.190 175.190 175.466 -0.276 18375 7212 1 12 . 1 1 100 100 ILE CA C 100 60.340 60.340 60.105 0.235 18375 7213 1 12 . 1 1 100 100 ILE CB C 100 40.390 40.390 39.035 1.355 18375 7214 1 12 . 1 1 100 100 ILE H H 100 9.560 9.560 8.948 0.612 18375 7215 1 12 . 1 1 101 101 SER N N 101 121.940 121.940 122.791 -0.851 18375 7216 1 12 . 1 1 101 101 SER HA H 101 4.120 4.120 4.446 -0.326 18375 7217 1 12 . 1 1 101 101 SER C C 101 174.230 174.230 176.152 -1.922 18375 7218 1 12 . 1 1 101 101 SER CA C 101 59.450 59.450 57.221 2.229 18375 7219 1 12 . 1 1 101 101 SER CB C 101 65.410 65.410 64.533 0.877 18375 7220 1 12 . 1 1 101 101 SER H H 101 8.860 8.860 8.782 0.078 18375 7221 1 12 . 1 1 102 102 ALA N N 102 123.870 123.870 130.719 -6.849 18375 7222 1 12 . 1 1 102 102 ALA HA H 102 3.910 3.910 4.005 -0.095 18375 7223 1 12 . 1 1 102 102 ALA C C 102 170.440 170.440 179.538 -9.098 18375 7224 1 12 . 1 1 102 102 ALA CA C 102 56.360 56.360 54.837 1.523 18375 7225 1 12 . 1 1 102 102 ALA CB C 102 19.430 19.430 18.305 1.125 18375 7226 1 12 . 1 1 102 102 ALA H H 102 8.860 8.860 8.899 -0.039 18375 7227 1 12 . 1 1 103 103 SER N N 103 109.980 109.980 113.879 -3.899 18375 7228 1 12 . 1 1 103 103 SER HA H 103 4.200 4.200 4.160 0.040 18375 7229 1 12 . 1 1 103 103 SER C C 103 176.050 176.050 176.718 -0.668 18375 7230 1 12 . 1 1 103 103 SER CA C 103 61.680 61.680 61.590 0.090 18375 7231 1 12 . 1 1 103 103 SER CB C 103 63.640 63.640 62.962 0.678 18375 7232 1 12 . 1 1 103 103 SER H H 103 8.180 8.180 7.845 0.335 18375 7233 1 12 . 1 1 104 104 GLU N N 104 121.250 121.250 120.236 1.014 18375 7234 1 12 . 1 1 104 104 GLU HA H 104 4.260 4.260 4.171 0.089 18375 7235 1 12 . 1 1 104 104 GLU C C 104 178.240 178.240 178.208 0.032 18375 7236 1 12 . 1 1 104 104 GLU CA C 104 57.960 57.960 58.092 -0.132 18375 7237 1 12 . 1 1 104 104 GLU CB C 104 32.210 32.210 29.492 2.718 18375 7238 1 12 . 1 1 104 104 GLU H H 104 7.560 7.560 7.736 -0.176 18375 7239 1 12 . 1 1 105 105 ALA N N 105 121.520 121.520 122.150 -0.630 18375 7240 1 12 . 1 1 105 105 ALA HA H 105 4.060 4.060 4.414 -0.354 18375 7241 1 12 . 1 1 105 105 ALA C C 105 170.230 170.230 179.480 -9.250 18375 7242 1 12 . 1 1 105 105 ALA CA C 105 57.080 57.080 54.712 2.368 18375 7243 1 12 . 1 1 105 105 ALA CB C 105 19.320 19.320 18.246 1.074 18375 7244 1 12 . 1 1 105 105 ALA H H 105 8.280 8.280 8.200 0.080 18375 7245 1 12 . 1 1 106 106 GLY N N 106 121.950 121.950 105.675 16.275 18375 7246 1 12 . 1 1 106 106 GLY C C 106 174.110 174.110 175.326 -1.216 18375 7247 1 12 . 1 1 106 106 GLY CA C 106 46.780 46.780 46.205 0.575 18375 7248 1 12 . 1 1 106 106 GLY H H 106 8.360 8.360 8.155 0.205 18375 7249 1 12 . 1 1 107 107 ASN N N 107 117.130 117.130 119.752 -2.622 18375 7250 1 12 . 1 1 107 107 ASN HA H 107 4.480 4.480 4.477 0.003 18375 7251 1 12 . 1 1 107 107 ASN C C 107 175.110 175.110 175.524 -0.414 18375 7252 1 12 . 1 1 107 107 ASN CA C 107 54.220 54.220 54.464 -0.243 18375 7253 1 12 . 1 1 107 107 ASN CB C 107 38.890 38.890 39.034 -0.144 18375 7254 1 12 . 1 1 107 107 ASN H H 107 7.830 7.830 7.459 0.371 18375 7255 1 12 . 1 1 108 108 TYR N N 108 117.300 117.300 118.461 -1.161 18375 7256 1 12 . 1 1 108 108 TYR HA H 108 4.620 4.620 4.699 -0.079 18375 7257 1 12 . 1 1 108 108 TYR C C 108 174.810 174.810 175.982 -1.172 18375 7258 1 12 . 1 1 108 108 TYR CA C 108 58.700 58.700 59.130 -0.430 18375 7259 1 12 . 1 1 108 108 TYR CB C 108 41.260 41.260 38.245 3.015 18375 7260 1 12 . 1 1 108 108 TYR H H 108 7.020 7.020 7.244 -0.224 18375 7261 1 12 . 1 1 109 109 ASN N N 109 117.260 117.260 120.539 -3.279 18375 7262 1 12 . 1 1 109 109 ASN HA H 109 5.020 5.020 5.014 0.006 18375 7263 1 12 . 1 1 109 109 ASN C C 109 173.590 173.590 173.928 -0.338 18375 7264 1 12 . 1 1 109 109 ASN CA C 109 53.140 53.140 53.075 0.064 18375 7265 1 12 . 1 1 109 109 ASN CB C 109 41.590 41.590 40.797 0.793 18375 7266 1 12 . 1 1 109 109 ASN H H 109 7.910 7.910 8.698 -0.788 18375 7267 1 12 . 1 1 110 110 TYR N N 110 117.410 117.410 113.385 4.025 18375 7268 1 12 . 1 1 110 110 TYR HA H 110 5.300 5.300 5.357 -0.057 18375 7269 1 12 . 1 1 110 110 TYR C C 110 174.450 174.450 173.873 0.577 18375 7270 1 12 . 1 1 110 110 TYR CA C 110 57.740 57.740 55.989 1.751 18375 7271 1 12 . 1 1 110 110 TYR CB C 110 41.580 41.580 40.908 0.672 18375 7272 1 12 . 1 1 110 110 TYR H H 110 9.340 9.340 8.773 0.567 18375 7273 1 12 . 1 1 111 111 ILE N N 111 123.080 123.080 120.686 2.394 18375 7274 1 12 . 1 1 111 111 ILE HA H 111 4.360 4.360 4.633 -0.273 18375 7275 1 12 . 1 1 111 111 ILE C C 111 175.250 175.250 174.327 0.923 18375 7276 1 12 . 1 1 111 111 ILE CA C 111 61.530 61.530 59.978 1.552 18375 7277 1 12 . 1 1 111 111 ILE CB C 111 40.560 40.560 38.663 1.897 18375 7278 1 12 . 1 1 111 111 ILE H H 111 9.320 9.320 8.652 0.668 18375 7279 1 12 . 1 1 112 112 HIS N N 112 109.020 109.020 123.029 -14.009 18375 7280 1 12 . 1 1 112 112 HIS HA H 112 4.560 4.560 4.830 -0.270 18375 7281 1 12 . 1 1 112 112 HIS C C 112 173.980 173.980 174.698 -0.718 18375 7282 1 12 . 1 1 112 112 HIS CA C 112 57.550 57.550 53.473 4.077 18375 7283 1 12 . 1 1 112 112 HIS CB C 112 31.350 31.350 32.380 -1.030 18375 7284 1 12 . 1 1 112 112 HIS H H 112 8.710 8.710 7.884 0.826 18375 7285 1 13 . 1 1 3 3 SER HA H 3 4.510 4.510 4.537 -0.027 18375 7286 1 13 . 1 1 3 3 SER C C 3 174.460 174.460 172.740 1.720 18375 7287 1 13 . 1 1 3 3 SER CA C 3 59.400 59.400 58.608 0.792 18375 7288 1 13 . 1 1 3 3 SER CB C 3 64.820 64.820 63.950 0.870 18375 7289 1 13 . 1 1 4 4 ILE N N 4 121.890 121.890 128.301 -6.411 18375 7290 1 13 . 1 1 4 4 ILE HA H 4 4.210 4.210 4.457 -0.247 18375 7291 1 13 . 1 1 4 4 ILE C C 4 176.040 176.040 175.374 0.666 18375 7292 1 13 . 1 1 4 4 ILE CA C 4 62.180 62.180 61.510 0.671 18375 7293 1 13 . 1 1 4 4 ILE CB C 4 39.930 39.930 38.271 1.659 18375 7294 1 13 . 1 1 4 4 ILE H H 4 8.180 8.180 8.684 -0.504 18375 7295 1 13 . 1 1 5 5 SER N N 5 119.230 119.230 121.057 -1.827 18375 7296 1 13 . 1 1 5 5 SER C C 5 174.290 174.290 173.767 0.523 18375 7297 1 13 . 1 1 5 5 SER CA C 5 59.140 59.140 59.016 0.124 18375 7298 1 13 . 1 1 5 5 SER CB C 5 64.930 64.930 65.152 -0.222 18375 7299 1 13 . 1 1 5 5 SER H H 5 8.270 8.270 8.958 -0.688 18375 7300 1 13 . 1 1 6 6 HIS HA H 6 4.650 4.650 4.781 -0.131 18375 7301 1 13 . 1 1 6 6 HIS CA C 6 57.240 57.240 55.576 1.664 18375 7302 1 13 . 1 1 6 6 HIS CB C 6 31.150 31.150 29.444 1.706 18375 7303 1 13 . 1 1 7 7 SER N N 7 117.260 117.260 119.830 -2.570 18375 7304 1 13 . 1 1 7 7 SER HA H 7 4.430 4.430 4.382 0.048 18375 7305 1 13 . 1 1 7 7 SER C C 7 174.890 174.890 174.397 0.493 18375 7306 1 13 . 1 1 7 7 SER CA C 7 59.750 59.750 58.728 1.022 18375 7307 1 13 . 1 1 7 7 SER CB C 7 64.890 64.890 62.257 2.633 18375 7308 1 13 . 1 1 7 7 SER H H 7 8.360 8.360 8.588 -0.228 18375 7309 1 13 . 1 1 8 8 GLY N N 8 110.140 110.140 108.939 1.201 18375 7310 1 13 . 1 1 8 8 GLY C C 8 173.340 173.340 171.808 1.532 18375 7311 1 13 . 1 1 8 8 GLY CA C 8 45.920 45.920 44.970 0.950 18375 7312 1 13 . 1 1 8 8 GLY H H 8 8.500 8.500 8.113 0.387 18375 7313 1 13 . 1 1 9 9 ASN N N 9 118.840 118.840 117.049 1.791 18375 7314 1 13 . 1 1 9 9 ASN HA H 9 3.430 3.430 4.932 -1.502 18375 7315 1 13 . 1 1 9 9 ASN C C 9 175.460 175.460 175.797 -0.337 18375 7316 1 13 . 1 1 9 9 ASN CA C 9 53.400 53.400 52.454 0.946 18375 7317 1 13 . 1 1 9 9 ASN CB C 9 38.780 38.780 40.163 -1.383 18375 7318 1 13 . 1 1 9 9 ASN H H 9 8.280 8.280 8.465 -0.185 18375 7319 1 13 . 1 1 10 10 LEU N N 10 125.560 125.560 122.264 3.296 18375 7320 1 13 . 1 1 10 10 LEU HA H 10 4.250 4.250 4.305 -0.055 18375 7321 1 13 . 1 1 10 10 LEU C C 10 177.320 177.320 177.250 0.070 18375 7322 1 13 . 1 1 10 10 LEU CA C 10 55.080 55.080 55.490 -0.410 18375 7323 1 13 . 1 1 10 10 LEU CB C 10 42.110 42.110 42.198 -0.088 18375 7324 1 13 . 1 1 10 10 LEU H H 10 6.850 6.850 8.609 -1.759 18375 7325 1 13 . 1 1 11 11 TYR N N 11 120.920 120.920 118.001 2.919 18375 7326 1 13 . 1 1 11 11 TYR HA H 11 4.350 4.350 4.573 -0.223 18375 7327 1 13 . 1 1 11 11 TYR C C 11 174.800 174.800 177.260 -2.460 18375 7328 1 13 . 1 1 11 11 TYR CA C 11 60.200 60.200 58.397 1.803 18375 7329 1 13 . 1 1 11 11 TYR CB C 11 38.520 38.520 40.310 -1.790 18375 7330 1 13 . 1 1 11 11 TYR H H 11 7.680 7.680 7.857 -0.177 18375 7331 1 13 . 1 1 12 12 THR N N 12 118.320 118.320 115.804 2.516 18375 7332 1 13 . 1 1 12 12 THR HA H 12 3.680 3.680 4.210 -0.530 18375 7333 1 13 . 1 1 12 12 THR C C 12 173.180 173.180 173.020 0.160 18375 7334 1 13 . 1 1 12 12 THR CA C 12 65.310 65.310 64.456 0.855 18375 7335 1 13 . 1 1 12 12 THR CB C 12 70.080 70.080 69.281 0.799 18375 7336 1 13 . 1 1 12 12 THR H H 12 8.320 8.320 8.733 -0.413 18375 7337 1 13 . 1 1 13 13 ALA N N 13 111.540 111.540 121.744 -10.204 18375 7338 1 13 . 1 1 13 13 ALA HA H 13 3.690 3.690 2.593 1.097 18375 7339 1 13 . 1 1 13 13 ALA CA C 13 53.700 53.700 51.321 2.380 18375 7340 1 13 . 1 1 13 13 ALA H H 13 8.150 8.150 7.345 0.805 18375 7341 1 13 . 1 1 14 14 GLY N N 14 109.410 109.410 107.652 1.758 18375 7342 1 13 . 1 1 14 14 GLY C C 14 173.310 173.310 173.804 -0.494 18375 7343 1 13 . 1 1 14 14 GLY CA C 14 44.150 44.150 44.378 -0.228 18375 7344 1 13 . 1 1 14 14 GLY H H 14 4.990 4.990 6.625 -1.635 18375 7345 1 13 . 1 1 15 15 GLN N N 15 115.720 115.720 117.435 -1.715 18375 7346 1 13 . 1 1 15 15 GLN HA H 15 4.410 4.410 4.550 -0.140 18375 7347 1 13 . 1 1 15 15 GLN C C 15 176.310 176.310 176.822 -0.512 18375 7348 1 13 . 1 1 15 15 GLN CA C 15 55.570 55.570 53.844 1.726 18375 7349 1 13 . 1 1 15 15 GLN CB C 15 31.180 31.180 30.050 1.130 18375 7350 1 13 . 1 1 15 15 GLN H H 15 7.170 7.170 7.730 -0.560 18375 7351 1 13 . 1 1 16 16 CYS N N 16 118.020 118.020 119.405 -1.385 18375 7352 1 13 . 1 1 16 16 CYS HA H 16 4.590 4.590 4.362 0.228 18375 7353 1 13 . 1 1 16 16 CYS C C 16 176.730 176.730 176.587 0.143 18375 7354 1 13 . 1 1 16 16 CYS CA C 16 61.050 61.050 61.942 -0.892 18375 7355 1 13 . 1 1 16 16 CYS CB C 16 28.600 28.600 27.407 1.193 18375 7356 1 13 . 1 1 16 16 CYS H H 16 9.300 9.300 8.947 0.353 18375 7357 1 13 . 1 1 17 17 THR N N 17 113.910 113.910 112.532 1.378 18375 7358 1 13 . 1 1 17 17 THR HA H 17 3.180 3.180 4.267 -1.087 18375 7359 1 13 . 1 1 17 17 THR C C 17 174.260 174.260 174.536 -0.276 18375 7360 1 13 . 1 1 17 17 THR CA C 17 62.800 62.800 63.848 -1.048 18375 7361 1 13 . 1 1 17 17 THR CB C 17 69.000 69.000 67.949 1.051 18375 7362 1 13 . 1 1 17 17 THR H H 17 7.300 7.300 8.309 -1.009 18375 7363 1 13 . 1 1 18 18 TRP N N 18 123.650 123.650 122.332 1.318 18375 7364 1 13 . 1 1 18 18 TRP HA H 18 4.380 4.380 4.550 -0.170 18375 7365 1 13 . 1 1 18 18 TRP C C 18 177.910 177.910 176.864 1.046 18375 7366 1 13 . 1 1 18 18 TRP CA C 18 61.600 61.600 60.012 1.588 18375 7367 1 13 . 1 1 18 18 TRP CB C 18 31.320 31.320 30.609 0.711 18375 7368 1 13 . 1 1 18 18 TRP H H 18 6.640 6.640 7.082 -0.442 18375 7369 1 13 . 1 1 19 19 TYR N N 19 115.660 115.660 121.094 -5.434 18375 7370 1 13 . 1 1 19 19 TYR HA H 19 4.120 4.120 4.118 0.002 18375 7371 1 13 . 1 1 19 19 TYR C C 19 177.170 177.170 177.487 -0.317 18375 7372 1 13 . 1 1 19 19 TYR CA C 19 61.370 61.370 62.013 -0.643 18375 7373 1 13 . 1 1 19 19 TYR CB C 19 42.110 42.110 38.685 3.425 18375 7374 1 13 . 1 1 19 19 TYR H H 19 7.680 7.680 9.126 -1.446 18375 7375 1 13 . 1 1 20 20 VAL N N 20 116.740 116.740 118.518 -1.778 18375 7376 1 13 . 1 1 20 20 VAL HA H 20 3.030 3.030 3.445 -0.415 18375 7377 1 13 . 1 1 20 20 VAL C C 20 176.410 176.410 177.790 -1.380 18375 7378 1 13 . 1 1 20 20 VAL CA C 20 68.360 68.360 67.581 0.779 18375 7379 1 13 . 1 1 20 20 VAL CB C 20 32.210 32.210 31.468 0.742 18375 7380 1 13 . 1 1 20 20 VAL H H 20 7.450 7.450 8.149 -0.699 18375 7381 1 13 . 1 1 21 21 TYR N N 21 118.550 118.550 120.496 -1.946 18375 7382 1 13 . 1 1 21 21 TYR HA H 21 3.560 3.560 4.279 -0.719 18375 7383 1 13 . 1 1 21 21 TYR C C 21 176.490 176.490 176.965 -0.475 18375 7384 1 13 . 1 1 21 21 TYR CA C 21 63.990 63.990 61.056 2.934 18375 7385 1 13 . 1 1 21 21 TYR CB C 21 38.970 38.970 38.412 0.558 18375 7386 1 13 . 1 1 21 21 TYR H H 21 8.370 8.370 8.076 0.294 18375 7387 1 13 . 1 1 22 22 ASP N N 22 115.760 115.760 118.859 -3.099 18375 7388 1 13 . 1 1 22 22 ASP HA H 22 4.260 4.260 4.151 0.109 18375 7389 1 13 . 1 1 22 22 ASP C C 22 169.690 169.690 178.801 -9.111 18375 7390 1 13 . 1 1 22 22 ASP CA C 22 58.010 58.010 56.354 1.656 18375 7391 1 13 . 1 1 22 22 ASP CB C 22 41.770 41.770 40.612 1.158 18375 7392 1 13 . 1 1 22 22 ASP H H 22 6.880 6.880 7.783 -0.903 18375 7393 1 13 . 1 1 23 23 LYS N N 23 121.790 121.790 118.745 3.045 18375 7394 1 13 . 1 1 23 23 LYS HA H 23 3.610 3.610 3.712 -0.102 18375 7395 1 13 . 1 1 23 23 LYS C C 23 178.360 178.360 178.476 -0.116 18375 7396 1 13 . 1 1 23 23 LYS CA C 23 57.990 57.990 58.039 -0.049 18375 7397 1 13 . 1 1 23 23 LYS CB C 23 31.350 31.350 31.448 -0.097 18375 7398 1 13 . 1 1 23 23 LYS H H 23 7.820 7.820 7.883 -0.063 18375 7399 1 13 . 1 1 24 24 VAL N N 24 108.790 108.790 110.780 -1.990 18375 7400 1 13 . 1 1 24 24 VAL HA H 24 4.390 4.390 4.101 0.289 18375 7401 1 13 . 1 1 24 24 VAL C C 24 176.840 176.840 176.000 0.840 18375 7402 1 13 . 1 1 24 24 VAL CA C 24 61.430 61.430 61.154 0.276 18375 7403 1 13 . 1 1 24 24 VAL CB C 24 31.690 31.690 31.151 0.539 18375 7404 1 13 . 1 1 24 24 VAL H H 24 7.590 7.590 7.242 0.348 18375 7405 1 13 . 1 1 25 25 GLY N N 25 110.620 110.620 107.653 2.967 18375 7406 1 13 . 1 1 25 25 GLY C C 25 175.510 175.510 175.018 0.492 18375 7407 1 13 . 1 1 25 25 GLY CA C 25 47.110 47.110 44.866 2.244 18375 7408 1 13 . 1 1 25 25 GLY H H 25 7.680 7.680 7.400 0.280 18375 7409 1 13 . 1 1 26 26 GLY N N 26 122.410 122.410 106.069 16.341 18375 7410 1 13 . 1 1 26 26 GLY C C 26 174.470 174.470 174.224 0.246 18375 7411 1 13 . 1 1 26 26 GLY CA C 26 46.440 46.440 44.412 2.028 18375 7412 1 13 . 1 1 26 26 GLY H H 26 7.870 7.870 7.694 0.176 18375 7413 1 13 . 1 1 27 27 GLU N N 27 116.720 116.720 119.119 -2.399 18375 7414 1 13 . 1 1 27 27 GLU HA H 27 4.150 4.150 4.053 0.097 18375 7415 1 13 . 1 1 27 27 GLU C C 27 175.810 175.810 175.916 -0.106 18375 7416 1 13 . 1 1 27 27 GLU CA C 27 58.110 58.110 58.066 0.044 18375 7417 1 13 . 1 1 27 27 GLU CB C 27 30.500 30.500 30.188 0.312 18375 7418 1 13 . 1 1 27 27 GLU H H 27 6.650 6.650 7.632 -0.982 18375 7419 1 13 . 1 1 28 28 ILE N N 28 125.210 125.210 115.454 9.756 18375 7420 1 13 . 1 1 28 28 ILE HA H 28 4.040 4.040 4.348 -0.308 18375 7421 1 13 . 1 1 28 28 ILE CA C 28 60.160 60.160 59.706 0.454 18375 7422 1 13 . 1 1 28 28 ILE CB C 28 40.940 40.940 40.174 0.766 18375 7423 1 13 . 1 1 28 28 ILE H H 28 6.330 6.330 7.407 -1.077 18375 7424 1 13 . 1 1 29 29 GLY C C 29 174.050 174.050 173.679 0.371 18375 7425 1 13 . 1 1 29 29 GLY CA C 29 46.190 46.190 44.669 1.521 18375 7426 1 13 . 1 1 30 30 SER N N 30 115.530 115.530 112.907 2.623 18375 7427 1 13 . 1 1 30 30 SER HA H 30 4.140 4.140 3.579 0.561 18375 7428 1 13 . 1 1 30 30 SER C C 30 174.000 174.000 175.318 -1.318 18375 7429 1 13 . 1 1 30 30 SER CA C 30 60.180 60.180 60.741 -0.561 18375 7430 1 13 . 1 1 30 30 SER CB C 30 65.150 65.150 61.974 3.176 18375 7431 1 13 . 1 1 30 30 SER H H 30 8.540 8.540 7.412 1.128 18375 7432 1 13 . 1 1 31 31 THR N N 31 124.440 124.440 114.072 10.368 18375 7433 1 13 . 1 1 31 31 THR HA H 31 4.460 4.460 4.222 0.238 18375 7434 1 13 . 1 1 31 31 THR C C 31 175.390 175.390 174.685 0.705 18375 7435 1 13 . 1 1 31 31 THR CA C 31 61.350 61.350 63.233 -1.883 18375 7436 1 13 . 1 1 31 31 THR CB C 31 69.190 69.190 68.880 0.310 18375 7437 1 13 . 1 1 31 31 THR H H 31 7.070 7.070 8.124 -1.054 18375 7438 1 13 . 1 1 32 32 TRP N N 32 121.120 121.120 119.848 1.272 18375 7439 1 13 . 1 1 32 32 TRP HA H 32 4.470 4.470 4.492 -0.022 18375 7440 1 13 . 1 1 32 32 TRP C C 32 175.720 175.720 176.378 -0.658 18375 7441 1 13 . 1 1 32 32 TRP CA C 32 57.500 57.500 54.976 2.524 18375 7442 1 13 . 1 1 32 32 TRP CB C 32 28.670 28.670 27.710 0.960 18375 7443 1 13 . 1 1 32 32 TRP H H 32 7.750 7.750 7.160 0.590 18375 7444 1 13 . 1 1 33 33 GLY N N 33 125.330 125.330 109.305 16.025 18375 7445 1 13 . 1 1 33 33 GLY C C 33 175.520 175.520 173.810 1.710 18375 7446 1 13 . 1 1 33 33 GLY CA C 33 46.390 46.390 45.913 0.477 18375 7447 1 13 . 1 1 33 33 GLY H H 33 8.580 8.580 7.705 0.875 18375 7448 1 13 . 1 1 34 34 ASN N N 34 118.870 118.870 121.344 -2.474 18375 7449 1 13 . 1 1 34 34 ASN HA H 34 4.720 4.720 5.407 -0.687 18375 7450 1 13 . 1 1 34 34 ASN C C 34 175.710 175.710 177.132 -1.422 18375 7451 1 13 . 1 1 34 34 ASN CA C 34 54.630 54.630 51.755 2.875 18375 7452 1 13 . 1 1 34 34 ASN CB C 34 40.050 40.050 40.522 -0.471 18375 7453 1 13 . 1 1 34 34 ASN H H 34 8.780 8.780 8.502 0.278 18375 7454 1 13 . 1 1 35 35 ALA N N 35 121.960 121.960 123.049 -1.089 18375 7455 1 13 . 1 1 35 35 ALA HA H 35 2.920 2.920 3.776 -0.856 18375 7456 1 13 . 1 1 35 35 ALA C C 35 169.710 169.710 179.313 -9.603 18375 7457 1 13 . 1 1 35 35 ALA CA C 35 55.950 55.950 55.019 0.931 18375 7458 1 13 . 1 1 35 35 ALA CB C 35 20.460 20.460 18.587 1.873 18375 7459 1 13 . 1 1 35 35 ALA H H 35 8.750 8.750 8.955 -0.205 18375 7460 1 13 . 1 1 36 36 ASN N N 36 114.940 114.940 116.078 -1.138 18375 7461 1 13 . 1 1 36 36 ASN HA H 36 4.170 4.170 4.729 -0.559 18375 7462 1 13 . 1 1 36 36 ASN C C 36 175.200 175.200 176.101 -0.901 18375 7463 1 13 . 1 1 36 36 ASN CA C 36 55.930 55.930 54.603 1.327 18375 7464 1 13 . 1 1 36 36 ASN CB C 36 36.690 36.690 39.050 -2.360 18375 7465 1 13 . 1 1 36 36 ASN H H 36 8.410 8.410 8.226 0.184 18375 7466 1 13 . 1 1 37 37 ASN N N 37 120.180 120.180 117.244 2.936 18375 7467 1 13 . 1 1 37 37 ASN HA H 37 5.060 5.060 4.977 0.083 18375 7468 1 13 . 1 1 37 37 ASN C C 37 176.530 176.530 176.119 0.411 18375 7469 1 13 . 1 1 37 37 ASN CA C 37 54.250 54.250 51.863 2.387 18375 7470 1 13 . 1 1 37 37 ASN CB C 37 41.720 41.720 38.845 2.875 18375 7471 1 13 . 1 1 37 37 ASN H H 37 8.850 8.850 7.907 0.943 18375 7472 1 13 . 1 1 38 38 TRP N N 38 118.410 118.410 122.838 -4.428 18375 7473 1 13 . 1 1 38 38 TRP HA H 38 4.190 4.190 4.564 -0.374 18375 7474 1 13 . 1 1 38 38 TRP C C 38 177.390 177.390 178.346 -0.956 18375 7475 1 13 . 1 1 38 38 TRP CA C 38 63.450 63.450 62.635 0.815 18375 7476 1 13 . 1 1 38 38 TRP CB C 38 29.680 29.680 28.862 0.818 18375 7477 1 13 . 1 1 38 38 TRP H H 38 8.240 8.240 7.506 0.734 18375 7478 1 13 . 1 1 39 39 ALA N N 39 118.400 118.400 119.888 -1.488 18375 7479 1 13 . 1 1 39 39 ALA HA H 39 3.770 3.770 4.008 -0.238 18375 7480 1 13 . 1 1 39 39 ALA C C 39 178.580 178.580 179.525 -0.945 18375 7481 1 13 . 1 1 39 39 ALA CA C 39 56.760 56.760 55.690 1.070 18375 7482 1 13 . 1 1 39 39 ALA CB C 39 18.020 18.020 17.676 0.344 18375 7483 1 13 . 1 1 39 39 ALA H H 39 7.150 7.150 9.031 -1.881 18375 7484 1 13 . 1 1 40 40 ALA N N 40 121.830 121.830 121.391 0.439 18375 7485 1 13 . 1 1 40 40 ALA HA H 40 3.990 3.990 4.074 -0.084 18375 7486 1 13 . 1 1 40 40 ALA C C 40 171.320 171.320 179.609 -8.289 18375 7487 1 13 . 1 1 40 40 ALA CA C 40 55.610 55.610 54.691 0.919 18375 7488 1 13 . 1 1 40 40 ALA CB C 40 18.840 18.840 18.310 0.530 18375 7489 1 13 . 1 1 40 40 ALA H H 40 8.060 8.060 7.968 0.092 18375 7490 1 13 . 1 1 41 41 ALA N N 41 122.200 122.200 120.484 1.716 18375 7491 1 13 . 1 1 41 41 ALA HA H 41 3.630 3.630 4.039 -0.409 18375 7492 1 13 . 1 1 41 41 ALA C C 41 170.110 170.110 179.429 -9.319 18375 7493 1 13 . 1 1 41 41 ALA CA C 41 55.240 55.240 54.549 0.691 18375 7494 1 13 . 1 1 41 41 ALA CB C 41 18.020 18.020 18.505 -0.485 18375 7495 1 13 . 1 1 41 41 ALA H H 41 8.250 8.250 8.483 -0.233 18375 7496 1 13 . 1 1 42 42 ALA N N 42 119.600 119.600 121.842 -2.242 18375 7497 1 13 . 1 1 42 42 ALA HA H 42 3.270 3.270 3.206 0.064 18375 7498 1 13 . 1 1 42 42 ALA C C 42 170.160 170.160 179.383 -9.223 18375 7499 1 13 . 1 1 42 42 ALA CA C 42 55.480 55.480 54.815 0.665 18375 7500 1 13 . 1 1 42 42 ALA CB C 42 19.890 19.890 18.266 1.624 18375 7501 1 13 . 1 1 42 42 ALA H H 42 7.710 7.710 8.761 -1.051 18375 7502 1 13 . 1 1 43 43 GLN N N 43 118.750 118.750 118.273 0.477 18375 7503 1 13 . 1 1 43 43 GLN HA H 43 4.340 4.340 4.205 0.135 18375 7504 1 13 . 1 1 43 43 GLN C C 43 170.980 170.980 179.082 -8.102 18375 7505 1 13 . 1 1 43 43 GLN CA C 43 60.200 60.200 58.268 1.932 18375 7506 1 13 . 1 1 43 43 GLN CB C 43 29.710 29.710 28.854 0.856 18375 7507 1 13 . 1 1 43 43 GLN H H 43 7.880 7.880 8.145 -0.265 18375 7508 1 13 . 1 1 44 44 GLY N N 44 125.760 125.760 106.699 19.061 18375 7509 1 13 . 1 1 44 44 GLY C C 44 174.300 174.300 175.086 -0.786 18375 7510 1 13 . 1 1 44 44 GLY CA C 44 47.660 47.660 46.011 1.649 18375 7511 1 13 . 1 1 44 44 GLY H H 44 8.010 8.010 7.588 0.422 18375 7512 1 13 . 1 1 45 45 ALA N N 45 121.480 121.480 122.409 -0.929 18375 7513 1 13 . 1 1 45 45 ALA HA H 45 4.620 4.620 4.282 0.338 18375 7514 1 13 . 1 1 45 45 ALA C C 45 177.190 177.190 177.259 -0.069 18375 7515 1 13 . 1 1 45 45 ALA CA C 45 52.680 52.680 52.108 0.572 18375 7516 1 13 . 1 1 45 45 ALA CB C 45 20.560 20.560 18.857 1.703 18375 7517 1 13 . 1 1 45 45 ALA H H 45 7.540 7.540 7.567 -0.027 18375 7518 1 13 . 1 1 46 46 GLY N N 46 123.690 123.690 104.611 19.079 18375 7519 1 13 . 1 1 46 46 GLY C C 46 174.980 174.980 174.511 0.469 18375 7520 1 13 . 1 1 46 46 GLY CA C 46 46.540 46.540 44.706 1.835 18375 7521 1 13 . 1 1 46 46 GLY H H 46 7.680 7.680 7.070 0.610 18375 7522 1 13 . 1 1 47 47 PHE N N 47 119.960 119.960 119.871 0.089 18375 7523 1 13 . 1 1 47 47 PHE HA H 47 4.620 4.620 4.981 -0.361 18375 7524 1 13 . 1 1 47 47 PHE C C 47 176.120 176.120 176.346 -0.226 18375 7525 1 13 . 1 1 47 47 PHE CA C 47 59.000 59.000 55.252 3.748 18375 7526 1 13 . 1 1 47 47 PHE CB C 47 40.350 40.350 38.916 1.434 18375 7527 1 13 . 1 1 47 47 PHE H H 47 8.280 8.280 8.135 0.145 18375 7528 1 13 . 1 1 48 48 THR N N 48 120.680 120.680 120.286 0.394 18375 7529 1 13 . 1 1 48 48 THR HA H 48 4.190 4.190 4.548 -0.358 18375 7530 1 13 . 1 1 48 48 THR C C 48 173.000 173.000 173.614 -0.614 18375 7531 1 13 . 1 1 48 48 THR CA C 48 65.150 65.150 62.582 2.568 18375 7532 1 13 . 1 1 48 48 THR CB C 48 70.530 70.530 68.452 2.078 18375 7533 1 13 . 1 1 48 48 THR H H 48 9.260 9.260 8.942 0.318 18375 7534 1 13 . 1 1 49 49 VAL N N 49 111.320 111.320 126.621 -15.301 18375 7535 1 13 . 1 1 49 49 VAL HA H 49 5.380 5.380 5.219 0.161 18375 7536 1 13 . 1 1 49 49 VAL C C 49 175.570 175.570 174.548 1.022 18375 7537 1 13 . 1 1 49 49 VAL CA C 49 61.510 61.510 60.480 1.030 18375 7538 1 13 . 1 1 49 49 VAL CB C 49 34.960 34.960 34.122 0.838 18375 7539 1 13 . 1 1 49 49 VAL H H 49 8.560 8.560 8.523 0.037 18375 7540 1 13 . 1 1 50 50 ASN N N 50 125.000 125.000 126.285 -1.285 18375 7541 1 13 . 1 1 50 50 ASN HA H 50 4.800 4.800 5.056 -0.256 18375 7542 1 13 . 1 1 50 50 ASN C C 50 174.270 174.270 173.466 0.804 18375 7543 1 13 . 1 1 50 50 ASN CA C 50 53.430 53.430 52.515 0.915 18375 7544 1 13 . 1 1 50 50 ASN CB C 50 39.100 39.100 41.502 -2.402 18375 7545 1 13 . 1 1 50 50 ASN H H 50 9.010 9.010 8.694 0.316 18375 7546 1 13 . 1 1 51 51 HIS N N 51 114.650 114.650 114.972 -0.322 18375 7547 1 13 . 1 1 51 51 HIS HA H 51 5.760 5.760 4.846 0.914 18375 7548 1 13 . 1 1 51 51 HIS C C 51 174.060 174.060 173.031 1.029 18375 7549 1 13 . 1 1 51 51 HIS CA C 51 56.360 56.360 55.574 0.786 18375 7550 1 13 . 1 1 51 51 HIS CB C 51 29.980 29.980 30.422 -0.442 18375 7551 1 13 . 1 1 51 51 HIS H H 51 8.550 8.550 8.362 0.188 18375 7552 1 13 . 1 1 52 52 THR N N 52 119.910 119.910 118.099 1.811 18375 7553 1 13 . 1 1 52 52 THR HA H 52 4.600 4.600 4.660 -0.060 18375 7554 1 13 . 1 1 52 52 THR CA C 52 60.140 60.140 60.348 -0.208 18375 7555 1 13 . 1 1 52 52 THR CB C 52 71.890 71.890 70.287 1.603 18375 7556 1 13 . 1 1 52 52 THR H H 52 8.500 8.500 7.250 1.250 18375 7557 1 13 . 1 1 53 53 PRO HA H 53 2.920 2.920 4.342 -1.422 18375 7558 1 13 . 1 1 53 53 PRO C C 53 175.410 175.410 176.246 -0.836 18375 7559 1 13 . 1 1 53 53 PRO CA C 53 62.460 62.460 63.221 -0.761 18375 7560 1 13 . 1 1 53 53 PRO CB C 53 33.410 33.410 32.188 1.222 18375 7561 1 13 . 1 1 54 54 SER N N 54 108.990 108.990 117.566 -8.576 18375 7562 1 13 . 1 1 54 54 SER HA H 54 4.300 4.300 4.582 -0.282 18375 7563 1 13 . 1 1 54 54 SER C C 54 172.380 172.380 172.806 -0.426 18375 7564 1 13 . 1 1 54 54 SER CA C 54 58.270 58.270 57.261 1.009 18375 7565 1 13 . 1 1 54 54 SER CB C 54 66.620 66.620 64.603 2.017 18375 7566 1 13 . 1 1 54 54 SER H H 54 6.000 6.000 8.078 -2.078 18375 7567 1 13 . 1 1 55 55 LYS N N 55 124.470 124.470 125.829 -1.359 18375 7568 1 13 . 1 1 55 55 LYS HA H 55 3.500 3.500 3.777 -0.277 18375 7569 1 13 . 1 1 55 55 LYS C C 55 177.150 177.150 177.371 -0.221 18375 7570 1 13 . 1 1 55 55 LYS CA C 55 59.850 59.850 57.776 2.074 18375 7571 1 13 . 1 1 55 55 LYS CB C 55 33.010 33.010 31.852 1.157 18375 7572 1 13 . 1 1 55 55 LYS H H 55 8.860 8.860 8.830 0.030 18375 7573 1 13 . 1 1 56 56 GLY N N 56 116.710 116.710 113.892 2.818 18375 7574 1 13 . 1 1 56 56 GLY C C 56 173.430 173.430 173.304 0.126 18375 7575 1 13 . 1 1 56 56 GLY CA C 56 45.600 45.600 44.685 0.915 18375 7576 1 13 . 1 1 56 56 GLY H H 56 8.950 8.950 8.786 0.164 18375 7577 1 13 . 1 1 57 57 ALA N N 57 118.940 118.940 123.221 -4.281 18375 7578 1 13 . 1 1 57 57 ALA HA H 57 4.630 4.630 4.593 0.037 18375 7579 1 13 . 1 1 57 57 ALA C C 57 174.570 174.570 175.450 -0.880 18375 7580 1 13 . 1 1 57 57 ALA CA C 57 51.840 51.840 50.625 1.215 18375 7581 1 13 . 1 1 57 57 ALA CB C 57 20.960 20.960 20.982 -0.022 18375 7582 1 13 . 1 1 57 57 ALA H H 57 7.420 7.420 7.915 -0.495 18375 7583 1 13 . 1 1 58 58 ILE N N 58 117.340 117.340 114.956 2.384 18375 7584 1 13 . 1 1 58 58 ILE HA H 58 4.720 4.720 4.533 0.187 18375 7585 1 13 . 1 1 58 58 ILE C C 58 176.920 176.920 174.398 2.522 18375 7586 1 13 . 1 1 58 58 ILE CA C 58 60.910 60.910 60.269 0.641 18375 7587 1 13 . 1 1 58 58 ILE CB C 58 41.820 41.820 42.155 -0.335 18375 7588 1 13 . 1 1 58 58 ILE H H 58 8.350 8.350 8.169 0.181 18375 7589 1 13 . 1 1 59 59 LEU N N 59 112.330 112.330 122.218 -9.888 18375 7590 1 13 . 1 1 59 59 LEU HA H 59 4.220 4.220 4.914 -0.694 18375 7591 1 13 . 1 1 59 59 LEU C C 59 174.530 174.530 174.208 0.322 18375 7592 1 13 . 1 1 59 59 LEU CA C 59 56.430 56.430 54.144 2.286 18375 7593 1 13 . 1 1 59 59 LEU CB C 59 44.160 44.160 45.088 -0.928 18375 7594 1 13 . 1 1 59 59 LEU H H 59 8.430 8.430 8.002 0.428 18375 7595 1 13 . 1 1 60 60 GLN N N 60 111.170 111.170 126.254 -15.084 18375 7596 1 13 . 1 1 60 60 GLN HA H 60 4.970 4.970 5.439 -0.469 18375 7597 1 13 . 1 1 60 60 GLN C C 60 172.980 172.980 175.369 -2.389 18375 7598 1 13 . 1 1 60 60 GLN CA C 60 56.720 56.720 53.812 2.908 18375 7599 1 13 . 1 1 60 60 GLN CB C 60 30.950 30.950 31.951 -1.001 18375 7600 1 13 . 1 1 60 60 GLN H H 60 9.490 9.490 9.198 0.292 18375 7601 1 13 . 1 1 61 61 SER N N 61 118.550 118.550 122.059 -3.509 18375 7602 1 13 . 1 1 61 61 SER HA H 61 4.940 4.940 4.846 0.094 18375 7603 1 13 . 1 1 61 61 SER C C 61 174.370 174.370 174.803 -0.433 18375 7604 1 13 . 1 1 61 61 SER CA C 61 56.570 56.570 58.697 -2.127 18375 7605 1 13 . 1 1 61 61 SER CB C 61 67.130 67.130 63.790 3.340 18375 7606 1 13 . 1 1 61 61 SER H H 61 8.800 8.800 8.908 -0.108 18375 7607 1 13 . 1 1 62 62 SER N N 62 120.910 120.910 112.433 8.477 18375 7608 1 13 . 1 1 62 62 SER HA H 62 4.540 4.540 4.165 0.375 18375 7609 1 13 . 1 1 62 62 SER C C 62 173.560 173.560 172.836 0.724 18375 7610 1 13 . 1 1 62 62 SER CA C 62 59.270 59.270 60.412 -1.142 18375 7611 1 13 . 1 1 62 62 SER CB C 62 64.390 64.390 62.800 1.590 18375 7612 1 13 . 1 1 62 62 SER H H 62 8.900 8.900 8.645 0.255 18375 7613 1 13 . 1 1 63 63 GLU N N 63 121.810 121.810 118.870 2.940 18375 7614 1 13 . 1 1 63 63 GLU HA H 63 4.220 4.220 4.615 -0.395 18375 7615 1 13 . 1 1 63 63 GLU C C 63 176.030 176.030 176.630 -0.600 18375 7616 1 13 . 1 1 63 63 GLU CA C 63 57.840 57.840 55.317 2.523 18375 7617 1 13 . 1 1 63 63 GLU CB C 63 32.170 32.170 31.911 0.259 18375 7618 1 13 . 1 1 63 63 GLU H H 63 8.040 8.040 7.881 0.159 18375 7619 1 13 . 1 1 64 64 GLY N N 64 125.900 125.900 109.979 15.921 18375 7620 1 13 . 1 1 64 64 GLY CA C 64 45.490 45.490 44.372 1.118 18375 7621 1 13 . 1 1 64 64 GLY H H 64 8.200 8.200 8.231 -0.031 18375 7622 1 13 . 1 1 65 65 PRO HA H 65 4.040 4.040 4.283 -0.243 18375 7623 1 13 . 1 1 65 65 PRO C C 65 177.870 177.870 176.760 1.110 18375 7624 1 13 . 1 1 65 65 PRO CA C 65 65.610 65.610 64.826 0.784 18375 7625 1 13 . 1 1 65 65 PRO CB C 65 32.160 32.160 32.261 -0.101 18375 7626 1 13 . 1 1 66 66 PHE N N 66 112.970 112.970 117.125 -4.155 18375 7627 1 13 . 1 1 66 66 PHE HA H 66 4.920 4.920 4.725 0.195 18375 7628 1 13 . 1 1 66 66 PHE C C 66 176.190 176.190 176.020 0.170 18375 7629 1 13 . 1 1 66 66 PHE CA C 66 57.420 57.420 57.413 0.007 18375 7630 1 13 . 1 1 66 66 PHE CB C 66 42.360 42.360 39.358 3.002 18375 7631 1 13 . 1 1 66 66 PHE H H 66 8.490 8.490 7.969 0.521 18375 7632 1 13 . 1 1 67 67 GLY N N 67 124.370 124.370 108.113 16.257 18375 7633 1 13 . 1 1 67 67 GLY C C 67 172.480 172.480 172.797 -0.317 18375 7634 1 13 . 1 1 67 67 GLY CA C 67 46.860 46.860 45.303 1.557 18375 7635 1 13 . 1 1 67 67 GLY H H 67 6.940 6.940 8.139 -1.199 18375 7636 1 13 . 1 1 68 68 HIS N N 68 117.820 117.820 120.223 -2.403 18375 7637 1 13 . 1 1 68 68 HIS HA H 68 5.020 5.020 4.502 0.518 18375 7638 1 13 . 1 1 68 68 HIS C C 68 173.790 173.790 172.163 1.627 18375 7639 1 13 . 1 1 68 68 HIS CA C 68 58.230 58.230 55.189 3.041 18375 7640 1 13 . 1 1 68 68 HIS CB C 68 36.120 36.120 31.279 4.841 18375 7641 1 13 . 1 1 68 68 HIS H H 68 8.590 8.590 7.962 0.628 18375 7642 1 13 . 1 1 69 69 VAL N N 69 116.830 116.830 122.568 -5.738 18375 7643 1 13 . 1 1 69 69 VAL HA H 69 5.320 5.320 4.842 0.478 18375 7644 1 13 . 1 1 69 69 VAL C C 69 173.060 173.060 173.181 -0.121 18375 7645 1 13 . 1 1 69 69 VAL CA C 69 58.940 58.940 58.674 0.266 18375 7646 1 13 . 1 1 69 69 VAL CB C 69 37.700 37.700 32.531 5.169 18375 7647 1 13 . 1 1 69 69 VAL H H 69 6.040 6.040 7.806 -1.766 18375 7648 1 13 . 1 1 70 70 ALA N N 70 120.820 120.820 129.568 -8.748 18375 7649 1 13 . 1 1 70 70 ALA HA H 70 4.510 4.510 4.452 0.058 18375 7650 1 13 . 1 1 70 70 ALA C C 70 173.870 173.870 175.536 -1.666 18375 7651 1 13 . 1 1 70 70 ALA CA C 70 51.560 51.560 49.993 1.567 18375 7652 1 13 . 1 1 70 70 ALA CB C 70 26.390 26.390 21.401 4.989 18375 7653 1 13 . 1 1 70 70 ALA H H 70 8.890 8.890 8.315 0.575 18375 7654 1 13 . 1 1 71 71 TYR N N 71 121.640 121.640 126.699 -5.059 18375 7655 1 13 . 1 1 71 71 TYR HA H 71 4.890 4.890 4.317 0.573 18375 7656 1 13 . 1 1 71 71 TYR C C 71 174.620 174.620 174.521 0.099 18375 7657 1 13 . 1 1 71 71 TYR CA C 71 58.140 58.140 58.424 -0.284 18375 7658 1 13 . 1 1 71 71 TYR CB C 71 42.850 42.850 39.239 3.611 18375 7659 1 13 . 1 1 71 71 TYR H H 71 9.310 9.310 8.142 1.168 18375 7660 1 13 . 1 1 72 72 VAL N N 72 126.010 126.010 127.799 -1.789 18375 7661 1 13 . 1 1 72 72 VAL HA H 72 3.880 3.880 3.811 0.069 18375 7662 1 13 . 1 1 72 72 VAL C C 72 174.250 174.250 175.538 -1.288 18375 7663 1 13 . 1 1 72 72 VAL CA C 72 64.970 64.970 62.646 2.324 18375 7664 1 13 . 1 1 72 72 VAL CB C 72 31.470 31.470 30.636 0.834 18375 7665 1 13 . 1 1 72 72 VAL H H 72 8.230 8.230 8.472 -0.242 18375 7666 1 13 . 1 1 73 73 GLU N N 73 112.690 112.690 127.800 -15.110 18375 7667 1 13 . 1 1 73 73 GLU HA H 73 4.250 4.250 4.320 -0.070 18375 7668 1 13 . 1 1 73 73 GLU C C 73 178.020 178.020 175.999 2.021 18375 7669 1 13 . 1 1 73 73 GLU CA C 73 58.400 58.400 57.366 1.034 18375 7670 1 13 . 1 1 73 73 GLU CB C 73 31.050 31.050 31.852 -0.802 18375 7671 1 13 . 1 1 73 73 GLU H H 73 8.820 8.820 8.655 0.165 18375 7672 1 13 . 1 1 74 74 SER N N 74 125.880 125.880 112.068 13.812 18375 7673 1 13 . 1 1 74 74 SER HA H 74 4.330 4.330 4.702 -0.372 18375 7674 1 13 . 1 1 74 74 SER C C 74 172.030 172.030 171.884 0.146 18375 7675 1 13 . 1 1 74 74 SER CA C 74 59.220 59.220 57.835 1.385 18375 7676 1 13 . 1 1 74 74 SER CB C 74 65.620 65.620 66.368 -0.748 18375 7677 1 13 . 1 1 74 74 SER H H 74 7.900 7.900 8.089 -0.189 18375 7678 1 13 . 1 1 75 75 VAL N N 75 122.760 122.760 124.367 -1.607 18375 7679 1 13 . 1 1 75 75 VAL HA H 75 4.320 4.320 4.226 0.094 18375 7680 1 13 . 1 1 75 75 VAL C C 75 176.270 176.270 174.754 1.516 18375 7681 1 13 . 1 1 75 75 VAL CA C 75 63.380 63.380 60.601 2.779 18375 7682 1 13 . 1 1 75 75 VAL CB C 75 32.750 32.750 32.657 0.093 18375 7683 1 13 . 1 1 75 75 VAL H H 75 8.400 8.400 8.465 -0.065 18375 7684 1 13 . 1 1 76 76 ASN N N 76 125.270 125.270 127.576 -2.306 18375 7685 1 13 . 1 1 76 76 ASN HA H 76 4.790 4.790 4.797 -0.007 18375 7686 1 13 . 1 1 76 76 ASN CA C 76 54.260 54.260 53.392 0.868 18375 7687 1 13 . 1 1 76 76 ASN CB C 76 39.960 39.960 39.574 0.386 18375 7688 1 13 . 1 1 76 76 ASN H H 76 9.080 9.080 8.953 0.127 18375 7689 1 13 . 1 1 77 77 SER HA H 77 4.130 4.130 4.271 -0.141 18375 7690 1 13 . 1 1 77 77 SER C C 77 174.410 174.410 174.626 -0.216 18375 7691 1 13 . 1 1 77 77 SER CA C 77 62.670 62.670 60.486 2.184 18375 7692 1 13 . 1 1 77 77 SER CB C 77 63.600 63.600 63.015 0.585 18375 7693 1 13 . 1 1 78 78 ASP N N 78 118.590 118.590 117.530 1.060 18375 7694 1 13 . 1 1 78 78 ASP HA H 78 4.580 4.580 4.623 -0.043 18375 7695 1 13 . 1 1 78 78 ASP C C 78 176.790 176.790 177.204 -0.414 18375 7696 1 13 . 1 1 78 78 ASP CA C 78 53.960 53.960 53.801 0.159 18375 7697 1 13 . 1 1 78 78 ASP CB C 78 40.880 40.880 40.825 0.055 18375 7698 1 13 . 1 1 78 78 ASP H H 78 7.980 7.980 8.193 -0.213 18375 7699 1 13 . 1 1 79 79 GLY N N 79 109.220 109.220 108.428 0.792 18375 7700 1 13 . 1 1 79 79 GLY C C 79 173.470 173.470 174.114 -0.644 18375 7701 1 13 . 1 1 79 79 GLY CA C 79 46.050 46.050 44.706 1.344 18375 7702 1 13 . 1 1 79 79 GLY H H 79 8.180 8.180 7.890 0.290 18375 7703 1 13 . 1 1 80 80 SER N N 80 114.200 114.200 119.529 -5.329 18375 7704 1 13 . 1 1 80 80 SER HA H 80 4.350 4.350 4.807 -0.457 18375 7705 1 13 . 1 1 80 80 SER C C 80 172.630 172.630 173.839 -1.209 18375 7706 1 13 . 1 1 80 80 SER CA C 80 59.580 59.580 60.036 -0.456 18375 7707 1 13 . 1 1 80 80 SER CB C 80 65.710 65.710 64.152 1.558 18375 7708 1 13 . 1 1 80 80 SER H H 80 7.930 7.930 7.859 0.071 18375 7709 1 13 . 1 1 81 81 VAL N N 81 118.060 118.060 125.392 -7.332 18375 7710 1 13 . 1 1 81 81 VAL HA H 81 4.690 4.690 4.422 0.268 18375 7711 1 13 . 1 1 81 81 VAL C C 81 175.220 175.220 175.625 -0.405 18375 7712 1 13 . 1 1 81 81 VAL CA C 81 61.980 61.980 61.645 0.335 18375 7713 1 13 . 1 1 81 81 VAL CB C 81 36.810 36.810 33.395 3.416 18375 7714 1 13 . 1 1 81 81 VAL H H 81 8.820 8.820 9.143 -0.323 18375 7715 1 13 . 1 1 82 82 THR N N 82 125.170 125.170 125.095 0.075 18375 7716 1 13 . 1 1 82 82 THR HA H 82 5.190 5.190 4.893 0.297 18375 7717 1 13 . 1 1 82 82 THR C C 82 174.150 174.150 173.923 0.227 18375 7718 1 13 . 1 1 82 82 THR CA C 82 63.440 63.440 62.438 1.002 18375 7719 1 13 . 1 1 82 82 THR CB C 82 70.520 70.520 68.660 1.860 18375 7720 1 13 . 1 1 82 82 THR H H 82 9.020 9.020 8.835 0.185 18375 7721 1 13 . 1 1 83 83 ILE N N 83 120.970 120.970 124.195 -3.225 18375 7722 1 13 . 1 1 83 83 ILE HA H 83 5.640 5.640 4.925 0.715 18375 7723 1 13 . 1 1 83 83 ILE C C 83 175.030 175.030 174.005 1.025 18375 7724 1 13 . 1 1 83 83 ILE CA C 83 59.440 59.440 58.716 0.724 18375 7725 1 13 . 1 1 83 83 ILE CB C 83 42.170 42.170 40.899 1.271 18375 7726 1 13 . 1 1 83 83 ILE H H 83 9.280 9.280 8.290 0.990 18375 7727 1 13 . 1 1 84 84 SER N N 84 115.430 115.430 116.745 -1.315 18375 7728 1 13 . 1 1 84 84 SER HA H 84 5.590 5.590 5.054 0.536 18375 7729 1 13 . 1 1 84 84 SER C C 84 173.130 173.130 173.521 -0.391 18375 7730 1 13 . 1 1 84 84 SER CA C 84 58.050 58.050 57.718 0.332 18375 7731 1 13 . 1 1 84 84 SER CB C 84 67.140 67.140 64.491 2.649 18375 7732 1 13 . 1 1 84 84 SER H H 84 9.600 9.600 9.033 0.567 18375 7733 1 13 . 1 1 85 85 GLU N N 85 117.660 117.660 125.000 -7.340 18375 7734 1 13 . 1 1 85 85 GLU HA H 85 5.180 5.180 4.804 0.376 18375 7735 1 13 . 1 1 85 85 GLU C C 85 171.780 171.780 174.799 -3.019 18375 7736 1 13 . 1 1 85 85 GLU CA C 85 54.880 54.880 54.513 0.367 18375 7737 1 13 . 1 1 85 85 GLU CB C 85 33.540 33.540 30.692 2.848 18375 7738 1 13 . 1 1 85 85 GLU H H 85 8.800 8.800 8.341 0.459 18375 7739 1 13 . 1 1 86 86 MET N N 86 118.950 118.950 128.417 -9.467 18375 7740 1 13 . 1 1 86 86 MET HA H 86 5.250 5.250 4.271 0.979 18375 7741 1 13 . 1 1 86 86 MET C C 86 175.010 175.010 176.105 -1.095 18375 7742 1 13 . 1 1 86 86 MET CA C 86 53.880 53.880 56.563 -2.683 18375 7743 1 13 . 1 1 86 86 MET CB C 86 38.240 38.240 32.107 6.133 18375 7744 1 13 . 1 1 86 86 MET H H 86 8.490 8.490 8.824 -0.334 18375 7745 1 13 . 1 1 87 87 ASN N N 87 116.670 116.670 127.052 -10.382 18375 7746 1 13 . 1 1 87 87 ASN HA H 87 4.190 4.190 4.272 -0.082 18375 7747 1 13 . 1 1 87 87 ASN C C 87 174.810 174.810 175.886 -1.076 18375 7748 1 13 . 1 1 87 87 ASN CA C 87 54.520 54.520 56.567 -2.047 18375 7749 1 13 . 1 1 87 87 ASN CB C 87 39.330 39.330 37.334 1.996 18375 7750 1 13 . 1 1 87 87 ASN H H 87 8.250 8.250 9.426 -1.176 18375 7751 1 13 . 1 1 88 88 TYR N N 88 119.600 119.600 118.114 1.486 18375 7752 1 13 . 1 1 88 88 TYR HA H 88 4.290 4.290 3.994 0.296 18375 7753 1 13 . 1 1 88 88 TYR C C 88 175.620 175.620 173.629 1.991 18375 7754 1 13 . 1 1 88 88 TYR CA C 88 60.720 60.720 61.133 -0.413 18375 7755 1 13 . 1 1 88 88 TYR CB C 88 41.430 41.430 37.812 3.618 18375 7756 1 13 . 1 1 88 88 TYR H H 88 8.940 8.940 8.714 0.226 18375 7757 1 13 . 1 1 89 89 SER N N 89 113.120 113.120 113.990 -0.870 18375 7758 1 13 . 1 1 89 89 SER HA H 89 4.320 4.320 4.316 0.004 18375 7759 1 13 . 1 1 89 89 SER C C 89 174.860 174.860 173.611 1.249 18375 7760 1 13 . 1 1 89 89 SER CA C 89 58.690 58.690 57.700 0.990 18375 7761 1 13 . 1 1 89 89 SER CB C 89 65.140 65.140 63.408 1.732 18375 7762 1 13 . 1 1 89 89 SER H H 89 8.060 8.060 7.818 0.242 18375 7763 1 13 . 1 1 90 90 GLY N N 90 110.450 110.450 110.216 0.234 18375 7764 1 13 . 1 1 90 90 GLY C C 90 174.680 174.680 173.484 1.196 18375 7765 1 13 . 1 1 90 90 GLY CA C 90 45.950 45.950 46.032 -0.082 18375 7766 1 13 . 1 1 90 90 GLY H H 90 8.180 8.180 8.964 -0.784 18375 7767 1 13 . 1 1 91 91 GLY N N 91 108.710 108.710 111.197 -2.487 18375 7768 1 13 . 1 1 91 91 GLY CA C 91 45.880 45.880 42.676 3.204 18375 7769 1 13 . 1 1 91 91 GLY H H 91 8.330 8.330 8.108 0.222 18375 7770 1 13 . 1 1 92 92 PRO HA H 92 4.040 4.040 4.099 -0.059 18375 7771 1 13 . 1 1 92 92 PRO C C 92 177.930 177.930 176.452 1.478 18375 7772 1 13 . 1 1 92 92 PRO CA C 92 64.710 64.710 63.627 1.083 18375 7773 1 13 . 1 1 92 92 PRO CB C 92 32.690 32.690 31.758 0.932 18375 7774 1 13 . 1 1 93 93 PHE N N 93 113.220 113.220 119.652 -6.432 18375 7775 1 13 . 1 1 93 93 PHE HA H 93 4.480 4.480 4.023 0.457 18375 7776 1 13 . 1 1 93 93 PHE C C 93 174.490 174.490 175.790 -1.300 18375 7777 1 13 . 1 1 93 93 PHE CA C 93 62.890 62.890 59.603 3.287 18375 7778 1 13 . 1 1 93 93 PHE CB C 93 37.410 37.410 36.956 0.454 18375 7779 1 13 . 1 1 93 93 PHE H H 93 8.350 8.350 7.891 0.459 18375 7780 1 13 . 1 1 94 94 SER N N 94 115.680 115.680 118.079 -2.399 18375 7781 1 13 . 1 1 94 94 SER HA H 94 4.620 4.620 4.409 0.211 18375 7782 1 13 . 1 1 94 94 SER C C 94 174.290 174.290 174.415 -0.125 18375 7783 1 13 . 1 1 94 94 SER CA C 94 59.150 59.150 58.711 0.439 18375 7784 1 13 . 1 1 94 94 SER CB C 94 64.690 64.690 62.859 1.831 18375 7785 1 13 . 1 1 94 94 SER H H 94 7.980 7.980 8.002 -0.022 18375 7786 1 13 . 1 1 95 95 VAL N N 95 112.520 112.520 127.074 -14.554 18375 7787 1 13 . 1 1 95 95 VAL HA H 95 4.830 4.830 3.913 0.917 18375 7788 1 13 . 1 1 95 95 VAL C C 95 175.770 175.770 174.503 1.267 18375 7789 1 13 . 1 1 95 95 VAL CA C 95 62.520 62.520 61.489 1.031 18375 7790 1 13 . 1 1 95 95 VAL CB C 95 34.010 34.010 31.779 2.231 18375 7791 1 13 . 1 1 95 95 VAL H H 95 8.840 8.840 8.019 0.821 18375 7792 1 13 . 1 1 96 96 SER N N 96 122.260 122.260 124.546 -2.286 18375 7793 1 13 . 1 1 96 96 SER HA H 96 4.810 4.810 4.403 0.407 18375 7794 1 13 . 1 1 96 96 SER C C 96 172.250 172.250 173.840 -1.590 18375 7795 1 13 . 1 1 96 96 SER CA C 96 58.080 58.080 58.669 -0.589 18375 7796 1 13 . 1 1 96 96 SER CB C 96 66.590 66.590 63.460 3.130 18375 7797 1 13 . 1 1 96 96 SER H H 96 9.190 9.190 8.877 0.313 18375 7798 1 13 . 1 1 97 97 SER N N 97 112.810 112.810 124.004 -11.194 18375 7799 1 13 . 1 1 97 97 SER HA H 97 5.620 5.620 4.935 0.685 18375 7800 1 13 . 1 1 97 97 SER C C 97 174.130 174.130 174.295 -0.165 18375 7801 1 13 . 1 1 97 97 SER CA C 97 57.260 57.260 57.697 -0.437 18375 7802 1 13 . 1 1 97 97 SER CB C 97 66.740 66.740 63.194 3.546 18375 7803 1 13 . 1 1 97 97 SER H H 97 8.290 8.290 8.559 -0.269 18375 7804 1 13 . 1 1 98 98 ARG N N 98 122.640 122.640 126.202 -3.562 18375 7805 1 13 . 1 1 98 98 ARG HA H 98 4.650 4.650 4.636 0.014 18375 7806 1 13 . 1 1 98 98 ARG C C 98 174.030 174.030 174.479 -0.449 18375 7807 1 13 . 1 1 98 98 ARG CA C 98 56.640 56.640 54.741 1.899 18375 7808 1 13 . 1 1 98 98 ARG CB C 98 36.240 36.240 33.763 2.477 18375 7809 1 13 . 1 1 98 98 ARG H H 98 8.380 8.380 7.913 0.467 18375 7810 1 13 . 1 1 99 99 THR N N 99 118.220 118.220 119.732 -1.512 18375 7811 1 13 . 1 1 99 99 THR HA H 99 5.280 5.280 5.262 0.018 18375 7812 1 13 . 1 1 99 99 THR C C 99 173.930 173.930 173.837 0.093 18375 7813 1 13 . 1 1 99 99 THR CA C 99 62.820 62.820 60.968 1.852 18375 7814 1 13 . 1 1 99 99 THR CB C 99 71.360 71.360 69.962 1.398 18375 7815 1 13 . 1 1 99 99 THR H H 99 8.650 8.650 8.420 0.230 18375 7816 1 13 . 1 1 100 100 ILE N N 100 112.130 112.130 128.521 -16.391 18375 7817 1 13 . 1 1 100 100 ILE HA H 100 4.290 4.290 4.200 0.090 18375 7818 1 13 . 1 1 100 100 ILE C C 100 175.190 175.190 175.322 -0.132 18375 7819 1 13 . 1 1 100 100 ILE CA C 100 60.340 60.340 61.175 -0.835 18375 7820 1 13 . 1 1 100 100 ILE CB C 100 40.390 40.390 38.714 1.676 18375 7821 1 13 . 1 1 100 100 ILE H H 100 9.560 9.560 8.995 0.565 18375 7822 1 13 . 1 1 101 101 SER N N 101 121.940 121.940 123.285 -1.345 18375 7823 1 13 . 1 1 101 101 SER HA H 101 4.120 4.120 4.598 -0.478 18375 7824 1 13 . 1 1 101 101 SER C C 101 174.230 174.230 175.976 -1.746 18375 7825 1 13 . 1 1 101 101 SER CA C 101 59.450 59.450 57.044 2.406 18375 7826 1 13 . 1 1 101 101 SER CB C 101 65.410 65.410 64.791 0.619 18375 7827 1 13 . 1 1 101 101 SER H H 101 8.860 8.860 8.507 0.353 18375 7828 1 13 . 1 1 102 102 ALA N N 102 123.870 123.870 130.912 -7.042 18375 7829 1 13 . 1 1 102 102 ALA HA H 102 3.910 3.910 4.011 -0.101 18375 7830 1 13 . 1 1 102 102 ALA C C 102 170.440 170.440 179.142 -8.702 18375 7831 1 13 . 1 1 102 102 ALA CA C 102 56.360 56.360 55.090 1.270 18375 7832 1 13 . 1 1 102 102 ALA CB C 102 19.430 19.430 18.579 0.851 18375 7833 1 13 . 1 1 102 102 ALA H H 102 8.860 8.860 8.945 -0.085 18375 7834 1 13 . 1 1 103 103 SER N N 103 109.980 109.980 113.362 -3.382 18375 7835 1 13 . 1 1 103 103 SER HA H 103 4.200 4.200 4.031 0.169 18375 7836 1 13 . 1 1 103 103 SER C C 103 176.050 176.050 176.791 -0.741 18375 7837 1 13 . 1 1 103 103 SER CA C 103 61.680 61.680 61.413 0.267 18375 7838 1 13 . 1 1 103 103 SER CB C 103 63.640 63.640 62.872 0.768 18375 7839 1 13 . 1 1 103 103 SER H H 103 8.180 8.180 8.050 0.130 18375 7840 1 13 . 1 1 104 104 GLU N N 104 121.250 121.250 122.143 -0.893 18375 7841 1 13 . 1 1 104 104 GLU HA H 104 4.260 4.260 4.176 0.084 18375 7842 1 13 . 1 1 104 104 GLU C C 104 178.240 178.240 178.774 -0.534 18375 7843 1 13 . 1 1 104 104 GLU CA C 104 57.960 57.960 58.165 -0.205 18375 7844 1 13 . 1 1 104 104 GLU CB C 104 32.210 32.210 29.342 2.868 18375 7845 1 13 . 1 1 104 104 GLU H H 104 7.560 7.560 7.716 -0.156 18375 7846 1 13 . 1 1 105 105 ALA N N 105 121.520 121.520 122.589 -1.069 18375 7847 1 13 . 1 1 105 105 ALA HA H 105 4.060 4.060 4.358 -0.298 18375 7848 1 13 . 1 1 105 105 ALA C C 105 170.230 170.230 179.441 -9.211 18375 7849 1 13 . 1 1 105 105 ALA CA C 105 57.080 57.080 54.691 2.389 18375 7850 1 13 . 1 1 105 105 ALA CB C 105 19.320 19.320 18.174 1.146 18375 7851 1 13 . 1 1 105 105 ALA H H 105 8.280 8.280 8.262 0.018 18375 7852 1 13 . 1 1 106 106 GLY N N 106 121.950 121.950 104.814 17.136 18375 7853 1 13 . 1 1 106 106 GLY C C 106 174.110 174.110 175.043 -0.933 18375 7854 1 13 . 1 1 106 106 GLY CA C 106 46.780 46.780 46.155 0.625 18375 7855 1 13 . 1 1 106 106 GLY H H 106 8.360 8.360 7.859 0.501 18375 7856 1 13 . 1 1 107 107 ASN N N 107 117.130 117.130 116.338 0.792 18375 7857 1 13 . 1 1 107 107 ASN HA H 107 4.480 4.480 4.260 0.220 18375 7858 1 13 . 1 1 107 107 ASN C C 107 175.110 175.110 174.948 0.162 18375 7859 1 13 . 1 1 107 107 ASN CA C 107 54.220 54.220 53.022 1.198 18375 7860 1 13 . 1 1 107 107 ASN CB C 107 38.890 38.890 39.443 -0.553 18375 7861 1 13 . 1 1 107 107 ASN H H 107 7.830 7.830 7.533 0.297 18375 7862 1 13 . 1 1 108 108 TYR N N 108 117.300 117.300 121.734 -4.434 18375 7863 1 13 . 1 1 108 108 TYR HA H 108 4.620 4.620 4.893 -0.273 18375 7864 1 13 . 1 1 108 108 TYR C C 108 174.810 174.810 175.850 -1.040 18375 7865 1 13 . 1 1 108 108 TYR CA C 108 58.700 58.700 58.263 0.438 18375 7866 1 13 . 1 1 108 108 TYR CB C 108 41.260 41.260 37.163 4.097 18375 7867 1 13 . 1 1 108 108 TYR H H 108 7.020 7.020 7.276 -0.256 18375 7868 1 13 . 1 1 109 109 ASN N N 109 117.260 117.260 121.965 -4.705 18375 7869 1 13 . 1 1 109 109 ASN HA H 109 5.020 5.020 5.265 -0.245 18375 7870 1 13 . 1 1 109 109 ASN C C 109 173.590 173.590 174.934 -1.344 18375 7871 1 13 . 1 1 109 109 ASN CA C 109 53.140 53.140 52.868 0.272 18375 7872 1 13 . 1 1 109 109 ASN CB C 109 41.590 41.590 40.487 1.103 18375 7873 1 13 . 1 1 109 109 ASN H H 109 7.910 7.910 8.702 -0.792 18375 7874 1 13 . 1 1 110 110 TYR N N 110 117.410 117.410 116.377 1.033 18375 7875 1 13 . 1 1 110 110 TYR HA H 110 5.300 5.300 5.137 0.163 18375 7876 1 13 . 1 1 110 110 TYR C C 110 174.450 174.450 173.361 1.089 18375 7877 1 13 . 1 1 110 110 TYR CA C 110 57.740 57.740 55.542 2.198 18375 7878 1 13 . 1 1 110 110 TYR CB C 110 41.580 41.580 40.778 0.802 18375 7879 1 13 . 1 1 110 110 TYR H H 110 9.340 9.340 8.609 0.731 18375 7880 1 13 . 1 1 111 111 ILE N N 111 123.080 123.080 116.087 6.993 18375 7881 1 13 . 1 1 111 111 ILE HA H 111 4.360 4.360 4.753 -0.393 18375 7882 1 13 . 1 1 111 111 ILE C C 111 175.250 175.250 174.097 1.153 18375 7883 1 13 . 1 1 111 111 ILE CA C 111 61.530 61.530 59.749 1.781 18375 7884 1 13 . 1 1 111 111 ILE CB C 111 40.560 40.560 40.805 -0.245 18375 7885 1 13 . 1 1 111 111 ILE H H 111 9.320 9.320 8.287 1.033 18375 7886 1 13 . 1 1 112 112 HIS N N 112 109.020 109.020 125.538 -16.518 18375 7887 1 13 . 1 1 112 112 HIS HA H 112 4.560 4.560 4.625 -0.065 18375 7888 1 13 . 1 1 112 112 HIS C C 112 173.980 173.980 174.693 -0.713 18375 7889 1 13 . 1 1 112 112 HIS CA C 112 57.550 57.550 55.243 2.307 18375 7890 1 13 . 1 1 112 112 HIS CB C 112 31.350 31.350 32.616 -1.266 18375 7891 1 13 . 1 1 112 112 HIS H H 112 8.710 8.710 8.668 0.042 18375 7892 1 14 . 1 1 3 3 SER HA H 3 4.510 4.510 4.513 -0.003 18375 7893 1 14 . 1 1 3 3 SER C C 3 174.460 174.460 174.394 0.066 18375 7894 1 14 . 1 1 3 3 SER CA C 3 59.400 59.400 58.332 1.068 18375 7895 1 14 . 1 1 3 3 SER CB C 3 64.820 64.820 63.074 1.746 18375 7896 1 14 . 1 1 4 4 ILE N N 4 121.890 121.890 125.555 -3.665 18375 7897 1 14 . 1 1 4 4 ILE HA H 4 4.210 4.210 4.383 -0.173 18375 7898 1 14 . 1 1 4 4 ILE C C 4 176.040 176.040 175.404 0.636 18375 7899 1 14 . 1 1 4 4 ILE CA C 4 62.180 62.180 60.968 1.212 18375 7900 1 14 . 1 1 4 4 ILE CB C 4 39.930 39.930 39.803 0.126 18375 7901 1 14 . 1 1 4 4 ILE H H 4 8.180 8.180 8.190 -0.010 18375 7902 1 14 . 1 1 5 5 SER N N 5 119.230 119.230 123.561 -4.331 18375 7903 1 14 . 1 1 5 5 SER C C 5 174.290 174.290 174.805 -0.515 18375 7904 1 14 . 1 1 5 5 SER CA C 5 59.140 59.140 57.680 1.460 18375 7905 1 14 . 1 1 5 5 SER CB C 5 64.930 64.930 62.665 2.265 18375 7906 1 14 . 1 1 5 5 SER H H 5 8.270 8.270 8.717 -0.447 18375 7907 1 14 . 1 1 6 6 HIS HA H 6 4.650 4.650 4.219 0.431 18375 7908 1 14 . 1 1 6 6 HIS CA C 6 57.240 57.240 58.528 -1.288 18375 7909 1 14 . 1 1 6 6 HIS CB C 6 31.150 31.150 28.753 2.397 18375 7910 1 14 . 1 1 7 7 SER N N 7 117.260 117.260 114.174 3.086 18375 7911 1 14 . 1 1 7 7 SER HA H 7 4.430 4.430 4.798 -0.368 18375 7912 1 14 . 1 1 7 7 SER C C 7 174.890 174.890 174.960 -0.070 18375 7913 1 14 . 1 1 7 7 SER CA C 7 59.750 59.750 57.825 1.925 18375 7914 1 14 . 1 1 7 7 SER CB C 7 64.890 64.890 64.974 -0.084 18375 7915 1 14 . 1 1 7 7 SER H H 7 8.360 8.360 8.243 0.117 18375 7916 1 14 . 1 1 8 8 GLY N N 8 110.140 110.140 109.335 0.805 18375 7917 1 14 . 1 1 8 8 GLY C C 8 173.340 173.340 174.359 -1.019 18375 7918 1 14 . 1 1 8 8 GLY CA C 8 45.920 45.920 46.125 -0.205 18375 7919 1 14 . 1 1 8 8 GLY H H 8 8.500 8.500 8.842 -0.342 18375 7920 1 14 . 1 1 9 9 ASN N N 9 118.840 118.840 116.529 2.311 18375 7921 1 14 . 1 1 9 9 ASN HA H 9 3.430 3.430 4.860 -1.430 18375 7922 1 14 . 1 1 9 9 ASN C C 9 175.460 175.460 174.819 0.641 18375 7923 1 14 . 1 1 9 9 ASN CA C 9 53.400 53.400 51.640 1.760 18375 7924 1 14 . 1 1 9 9 ASN CB C 9 38.780 38.780 38.979 -0.199 18375 7925 1 14 . 1 1 9 9 ASN H H 9 8.280 8.280 7.981 0.299 18375 7926 1 14 . 1 1 10 10 LEU N N 10 125.560 125.560 116.900 8.660 18375 7927 1 14 . 1 1 10 10 LEU HA H 10 4.250 4.250 4.350 -0.100 18375 7928 1 14 . 1 1 10 10 LEU C C 10 177.320 177.320 176.628 0.692 18375 7929 1 14 . 1 1 10 10 LEU CA C 10 55.080 55.080 55.254 -0.174 18375 7930 1 14 . 1 1 10 10 LEU CB C 10 42.110 42.110 42.187 -0.077 18375 7931 1 14 . 1 1 10 10 LEU H H 10 6.850 6.850 8.212 -1.362 18375 7932 1 14 . 1 1 11 11 TYR N N 11 120.920 120.920 118.195 2.725 18375 7933 1 14 . 1 1 11 11 TYR HA H 11 4.350 4.350 4.464 -0.114 18375 7934 1 14 . 1 1 11 11 TYR C C 11 174.800 174.800 177.632 -2.832 18375 7935 1 14 . 1 1 11 11 TYR CA C 11 60.200 60.200 58.781 1.419 18375 7936 1 14 . 1 1 11 11 TYR CB C 11 38.520 38.520 40.373 -1.853 18375 7937 1 14 . 1 1 11 11 TYR H H 11 7.680 7.680 7.786 -0.106 18375 7938 1 14 . 1 1 12 12 THR N N 12 118.320 118.320 117.441 0.879 18375 7939 1 14 . 1 1 12 12 THR HA H 12 3.680 3.680 4.002 -0.322 18375 7940 1 14 . 1 1 12 12 THR C C 12 173.180 173.180 173.186 -0.006 18375 7941 1 14 . 1 1 12 12 THR CA C 12 65.310 65.310 65.511 -0.201 18375 7942 1 14 . 1 1 12 12 THR CB C 12 70.080 70.080 69.229 0.851 18375 7943 1 14 . 1 1 12 12 THR H H 12 8.320 8.320 8.574 -0.254 18375 7944 1 14 . 1 1 13 13 ALA N N 13 111.540 111.540 118.360 -6.820 18375 7945 1 14 . 1 1 13 13 ALA HA H 13 3.690 3.690 2.923 0.767 18375 7946 1 14 . 1 1 13 13 ALA CA C 13 53.700 53.700 51.636 2.064 18375 7947 1 14 . 1 1 13 13 ALA H H 13 8.150 8.150 7.548 0.602 18375 7948 1 14 . 1 1 14 14 GLY N N 14 109.410 109.410 106.196 3.214 18375 7949 1 14 . 1 1 14 14 GLY C C 14 173.310 173.310 174.295 -0.985 18375 7950 1 14 . 1 1 14 14 GLY CA C 14 44.150 44.150 44.840 -0.690 18375 7951 1 14 . 1 1 14 14 GLY H H 14 4.990 4.990 6.423 -1.433 18375 7952 1 14 . 1 1 15 15 GLN N N 15 115.720 115.720 118.596 -2.876 18375 7953 1 14 . 1 1 15 15 GLN HA H 15 4.410 4.410 4.162 0.248 18375 7954 1 14 . 1 1 15 15 GLN C C 15 176.310 176.310 177.366 -1.056 18375 7955 1 14 . 1 1 15 15 GLN CA C 15 55.570 55.570 55.994 -0.424 18375 7956 1 14 . 1 1 15 15 GLN CB C 15 31.180 31.180 29.211 1.969 18375 7957 1 14 . 1 1 15 15 GLN H H 15 7.170 7.170 7.843 -0.673 18375 7958 1 14 . 1 1 16 16 CYS N N 16 118.020 118.020 119.401 -1.381 18375 7959 1 14 . 1 1 16 16 CYS HA H 16 4.590 4.590 4.214 0.376 18375 7960 1 14 . 1 1 16 16 CYS C C 16 176.730 176.730 176.818 -0.088 18375 7961 1 14 . 1 1 16 16 CYS CA C 16 61.050 61.050 64.230 -3.180 18375 7962 1 14 . 1 1 16 16 CYS CB C 16 28.600 28.600 27.794 0.806 18375 7963 1 14 . 1 1 16 16 CYS H H 16 9.300 9.300 9.140 0.160 18375 7964 1 14 . 1 1 17 17 THR N N 17 113.910 113.910 113.574 0.336 18375 7965 1 14 . 1 1 17 17 THR HA H 17 3.180 3.180 4.235 -1.055 18375 7966 1 14 . 1 1 17 17 THR C C 17 174.260 174.260 176.203 -1.943 18375 7967 1 14 . 1 1 17 17 THR CA C 17 62.800 62.800 65.530 -2.730 18375 7968 1 14 . 1 1 17 17 THR CB C 17 69.000 69.000 68.395 0.605 18375 7969 1 14 . 1 1 17 17 THR H H 17 7.300 7.300 8.338 -1.038 18375 7970 1 14 . 1 1 18 18 TRP N N 18 123.650 123.650 124.625 -0.975 18375 7971 1 14 . 1 1 18 18 TRP HA H 18 4.380 4.380 4.376 0.004 18375 7972 1 14 . 1 1 18 18 TRP C C 18 177.910 177.910 177.755 0.155 18375 7973 1 14 . 1 1 18 18 TRP CA C 18 61.600 61.600 60.693 0.907 18375 7974 1 14 . 1 1 18 18 TRP CB C 18 31.320 31.320 29.185 2.135 18375 7975 1 14 . 1 1 18 18 TRP H H 18 6.640 6.640 7.290 -0.650 18375 7976 1 14 . 1 1 19 19 TYR N N 19 115.660 115.660 119.924 -4.264 18375 7977 1 14 . 1 1 19 19 TYR HA H 19 4.120 4.120 4.029 0.091 18375 7978 1 14 . 1 1 19 19 TYR C C 19 177.170 177.170 177.702 -0.532 18375 7979 1 14 . 1 1 19 19 TYR CA C 19 61.370 61.370 61.412 -0.042 18375 7980 1 14 . 1 1 19 19 TYR CB C 19 42.110 42.110 38.512 3.598 18375 7981 1 14 . 1 1 19 19 TYR H H 19 7.680 7.680 9.169 -1.489 18375 7982 1 14 . 1 1 20 20 VAL N N 20 116.740 116.740 119.686 -2.946 18375 7983 1 14 . 1 1 20 20 VAL HA H 20 3.030 3.030 3.474 -0.444 18375 7984 1 14 . 1 1 20 20 VAL C C 20 176.410 176.410 177.736 -1.326 18375 7985 1 14 . 1 1 20 20 VAL CA C 20 68.360 68.360 67.639 0.721 18375 7986 1 14 . 1 1 20 20 VAL CB C 20 32.210 32.210 31.642 0.568 18375 7987 1 14 . 1 1 20 20 VAL H H 20 7.450 7.450 8.778 -1.328 18375 7988 1 14 . 1 1 21 21 TYR N N 21 118.550 118.550 121.269 -2.719 18375 7989 1 14 . 1 1 21 21 TYR HA H 21 3.560 3.560 4.242 -0.682 18375 7990 1 14 . 1 1 21 21 TYR C C 21 176.490 176.490 177.060 -0.570 18375 7991 1 14 . 1 1 21 21 TYR CA C 21 63.990 63.990 61.224 2.766 18375 7992 1 14 . 1 1 21 21 TYR CB C 21 38.970 38.970 38.260 0.710 18375 7993 1 14 . 1 1 21 21 TYR H H 21 8.370 8.370 8.085 0.285 18375 7994 1 14 . 1 1 22 22 ASP N N 22 115.760 115.760 118.537 -2.777 18375 7995 1 14 . 1 1 22 22 ASP HA H 22 4.260 4.260 4.026 0.234 18375 7996 1 14 . 1 1 22 22 ASP C C 22 169.690 169.690 178.370 -8.680 18375 7997 1 14 . 1 1 22 22 ASP CA C 22 58.010 58.010 57.179 0.830 18375 7998 1 14 . 1 1 22 22 ASP CB C 22 41.770 41.770 40.610 1.160 18375 7999 1 14 . 1 1 22 22 ASP H H 22 6.880 6.880 7.693 -0.813 18375 8000 1 14 . 1 1 23 23 LYS N N 23 121.790 121.790 117.540 4.250 18375 8001 1 14 . 1 1 23 23 LYS HA H 23 3.610 3.610 3.734 -0.124 18375 8002 1 14 . 1 1 23 23 LYS C C 23 178.360 178.360 178.403 -0.043 18375 8003 1 14 . 1 1 23 23 LYS CA C 23 57.990 57.990 57.965 0.025 18375 8004 1 14 . 1 1 23 23 LYS CB C 23 31.350 31.350 31.744 -0.393 18375 8005 1 14 . 1 1 23 23 LYS H H 23 7.820 7.820 7.879 -0.059 18375 8006 1 14 . 1 1 24 24 VAL N N 24 108.790 108.790 110.973 -2.183 18375 8007 1 14 . 1 1 24 24 VAL HA H 24 4.390 4.390 4.161 0.229 18375 8008 1 14 . 1 1 24 24 VAL C C 24 176.840 176.840 176.450 0.390 18375 8009 1 14 . 1 1 24 24 VAL CA C 24 61.430 61.430 62.312 -0.882 18375 8010 1 14 . 1 1 24 24 VAL CB C 24 31.690 31.690 31.795 -0.105 18375 8011 1 14 . 1 1 24 24 VAL H H 24 7.590 7.590 7.715 -0.125 18375 8012 1 14 . 1 1 25 25 GLY N N 25 110.620 110.620 107.685 2.935 18375 8013 1 14 . 1 1 25 25 GLY C C 25 175.510 175.510 175.090 0.420 18375 8014 1 14 . 1 1 25 25 GLY CA C 25 47.110 47.110 44.910 2.200 18375 8015 1 14 . 1 1 25 25 GLY H H 25 7.680 7.680 7.438 0.242 18375 8016 1 14 . 1 1 26 26 GLY N N 26 122.410 122.410 107.078 15.332 18375 8017 1 14 . 1 1 26 26 GLY C C 26 174.470 174.470 174.001 0.469 18375 8018 1 14 . 1 1 26 26 GLY CA C 26 46.440 46.440 44.727 1.713 18375 8019 1 14 . 1 1 26 26 GLY H H 26 7.870 7.870 7.833 0.037 18375 8020 1 14 . 1 1 27 27 GLU N N 27 116.720 116.720 119.341 -2.621 18375 8021 1 14 . 1 1 27 27 GLU HA H 27 4.150 4.150 4.112 0.038 18375 8022 1 14 . 1 1 27 27 GLU C C 27 175.810 175.810 176.352 -0.542 18375 8023 1 14 . 1 1 27 27 GLU CA C 27 58.110 58.110 58.280 -0.170 18375 8024 1 14 . 1 1 27 27 GLU CB C 27 30.500 30.500 30.357 0.143 18375 8025 1 14 . 1 1 27 27 GLU H H 27 6.650 6.650 7.780 -1.130 18375 8026 1 14 . 1 1 28 28 ILE N N 28 125.210 125.210 113.410 11.800 18375 8027 1 14 . 1 1 28 28 ILE HA H 28 4.040 4.040 4.392 -0.352 18375 8028 1 14 . 1 1 28 28 ILE CA C 28 60.160 60.160 60.203 -0.043 18375 8029 1 14 . 1 1 28 28 ILE CB C 28 40.940 40.940 39.699 1.241 18375 8030 1 14 . 1 1 28 28 ILE H H 28 6.330 6.330 7.551 -1.221 18375 8031 1 14 . 1 1 29 29 GLY C C 29 174.050 174.050 175.008 -0.958 18375 8032 1 14 . 1 1 29 29 GLY CA C 29 46.190 46.190 45.836 0.354 18375 8033 1 14 . 1 1 30 30 SER N N 30 115.530 115.530 115.234 0.296 18375 8034 1 14 . 1 1 30 30 SER HA H 30 4.140 4.140 2.932 1.208 18375 8035 1 14 . 1 1 30 30 SER C C 30 174.000 174.000 174.018 -0.018 18375 8036 1 14 . 1 1 30 30 SER CA C 30 60.180 60.180 60.076 0.104 18375 8037 1 14 . 1 1 30 30 SER CB C 30 65.150 65.150 61.586 3.564 18375 8038 1 14 . 1 1 30 30 SER H H 30 8.540 8.540 7.575 0.965 18375 8039 1 14 . 1 1 31 31 THR N N 31 124.440 124.440 114.859 9.581 18375 8040 1 14 . 1 1 31 31 THR HA H 31 4.460 4.460 4.470 -0.010 18375 8041 1 14 . 1 1 31 31 THR C C 31 175.390 175.390 174.515 0.875 18375 8042 1 14 . 1 1 31 31 THR CA C 31 61.350 61.350 59.981 1.369 18375 8043 1 14 . 1 1 31 31 THR CB C 31 69.190 69.190 69.349 -0.159 18375 8044 1 14 . 1 1 31 31 THR H H 31 7.070 7.070 8.096 -1.026 18375 8045 1 14 . 1 1 32 32 TRP N N 32 121.120 121.120 120.586 0.534 18375 8046 1 14 . 1 1 32 32 TRP HA H 32 4.470 4.470 4.505 -0.035 18375 8047 1 14 . 1 1 32 32 TRP C C 32 175.720 175.720 176.148 -0.428 18375 8048 1 14 . 1 1 32 32 TRP CA C 32 57.500 57.500 55.414 2.086 18375 8049 1 14 . 1 1 32 32 TRP CB C 32 28.670 28.670 27.776 0.894 18375 8050 1 14 . 1 1 32 32 TRP H H 32 7.750 7.750 7.325 0.425 18375 8051 1 14 . 1 1 33 33 GLY N N 33 125.330 125.330 108.810 16.520 18375 8052 1 14 . 1 1 33 33 GLY C C 33 175.520 175.520 174.109 1.411 18375 8053 1 14 . 1 1 33 33 GLY CA C 33 46.390 46.390 45.697 0.693 18375 8054 1 14 . 1 1 33 33 GLY H H 33 8.580 8.580 8.230 0.350 18375 8055 1 14 . 1 1 34 34 ASN N N 34 118.870 118.870 121.606 -2.736 18375 8056 1 14 . 1 1 34 34 ASN HA H 34 4.720 4.720 5.567 -0.847 18375 8057 1 14 . 1 1 34 34 ASN C C 34 175.710 175.710 176.899 -1.189 18375 8058 1 14 . 1 1 34 34 ASN CA C 34 54.630 54.630 51.810 2.820 18375 8059 1 14 . 1 1 34 34 ASN CB C 34 40.050 40.050 41.513 -1.462 18375 8060 1 14 . 1 1 34 34 ASN H H 34 8.780 8.780 8.489 0.291 18375 8061 1 14 . 1 1 35 35 ALA N N 35 121.960 121.960 123.728 -1.768 18375 8062 1 14 . 1 1 35 35 ALA HA H 35 2.920 2.920 3.516 -0.596 18375 8063 1 14 . 1 1 35 35 ALA C C 35 169.710 169.710 178.893 -9.183 18375 8064 1 14 . 1 1 35 35 ALA CA C 35 55.950 55.950 55.299 0.651 18375 8065 1 14 . 1 1 35 35 ALA CB C 35 20.460 20.460 18.550 1.910 18375 8066 1 14 . 1 1 35 35 ALA H H 35 8.750 8.750 8.605 0.145 18375 8067 1 14 . 1 1 36 36 ASN N N 36 114.940 114.940 115.181 -0.241 18375 8068 1 14 . 1 1 36 36 ASN HA H 36 4.170 4.170 4.630 -0.460 18375 8069 1 14 . 1 1 36 36 ASN C C 36 175.200 175.200 175.675 -0.475 18375 8070 1 14 . 1 1 36 36 ASN CA C 36 55.930 55.930 54.836 1.094 18375 8071 1 14 . 1 1 36 36 ASN CB C 36 36.690 36.690 38.042 -1.352 18375 8072 1 14 . 1 1 36 36 ASN H H 36 8.410 8.410 8.495 -0.085 18375 8073 1 14 . 1 1 37 37 ASN N N 37 120.180 120.180 117.515 2.665 18375 8074 1 14 . 1 1 37 37 ASN HA H 37 5.060 5.060 4.949 0.111 18375 8075 1 14 . 1 1 37 37 ASN C C 37 176.530 176.530 175.967 0.563 18375 8076 1 14 . 1 1 37 37 ASN CA C 37 54.250 54.250 52.315 1.935 18375 8077 1 14 . 1 1 37 37 ASN CB C 37 41.720 41.720 39.358 2.362 18375 8078 1 14 . 1 1 37 37 ASN H H 37 8.850 8.850 7.836 1.014 18375 8079 1 14 . 1 1 38 38 TRP N N 38 118.410 118.410 123.429 -5.019 18375 8080 1 14 . 1 1 38 38 TRP HA H 38 4.190 4.190 4.297 -0.107 18375 8081 1 14 . 1 1 38 38 TRP C C 38 177.390 177.390 178.123 -0.733 18375 8082 1 14 . 1 1 38 38 TRP CA C 38 63.450 63.450 62.562 0.888 18375 8083 1 14 . 1 1 38 38 TRP CB C 38 29.680 29.680 28.772 0.908 18375 8084 1 14 . 1 1 38 38 TRP H H 38 8.240 8.240 7.834 0.406 18375 8085 1 14 . 1 1 39 39 ALA N N 39 118.400 118.400 119.975 -1.575 18375 8086 1 14 . 1 1 39 39 ALA HA H 39 3.770 3.770 3.983 -0.213 18375 8087 1 14 . 1 1 39 39 ALA C C 39 178.580 178.580 179.610 -1.030 18375 8088 1 14 . 1 1 39 39 ALA CA C 39 56.760 56.760 55.553 1.207 18375 8089 1 14 . 1 1 39 39 ALA CB C 39 18.020 18.020 17.514 0.506 18375 8090 1 14 . 1 1 39 39 ALA H H 39 7.150 7.150 8.851 -1.701 18375 8091 1 14 . 1 1 40 40 ALA N N 40 121.830 121.830 121.293 0.537 18375 8092 1 14 . 1 1 40 40 ALA HA H 40 3.990 3.990 4.138 -0.148 18375 8093 1 14 . 1 1 40 40 ALA C C 40 171.320 171.320 179.630 -8.310 18375 8094 1 14 . 1 1 40 40 ALA CA C 40 55.610 55.610 54.594 1.016 18375 8095 1 14 . 1 1 40 40 ALA CB C 40 18.840 18.840 18.297 0.543 18375 8096 1 14 . 1 1 40 40 ALA H H 40 8.060 8.060 7.696 0.364 18375 8097 1 14 . 1 1 41 41 ALA N N 41 122.200 122.200 120.991 1.209 18375 8098 1 14 . 1 1 41 41 ALA HA H 41 3.630 3.630 3.908 -0.278 18375 8099 1 14 . 1 1 41 41 ALA C C 41 170.110 170.110 179.125 -9.015 18375 8100 1 14 . 1 1 41 41 ALA CA C 41 55.240 55.240 54.941 0.299 18375 8101 1 14 . 1 1 41 41 ALA CB C 41 18.020 18.020 18.677 -0.657 18375 8102 1 14 . 1 1 41 41 ALA H H 41 8.250 8.250 8.407 -0.157 18375 8103 1 14 . 1 1 42 42 ALA N N 42 119.600 119.600 120.724 -1.124 18375 8104 1 14 . 1 1 42 42 ALA HA H 42 3.270 3.270 3.243 0.027 18375 8105 1 14 . 1 1 42 42 ALA C C 42 170.160 170.160 179.633 -9.473 18375 8106 1 14 . 1 1 42 42 ALA CA C 42 55.480 55.480 54.842 0.638 18375 8107 1 14 . 1 1 42 42 ALA CB C 42 19.890 19.890 18.049 1.841 18375 8108 1 14 . 1 1 42 42 ALA H H 42 7.710 7.710 8.696 -0.986 18375 8109 1 14 . 1 1 43 43 GLN N N 43 118.750 118.750 118.273 0.477 18375 8110 1 14 . 1 1 43 43 GLN HA H 43 4.340 4.340 3.980 0.360 18375 8111 1 14 . 1 1 43 43 GLN C C 43 170.980 170.980 178.999 -8.019 18375 8112 1 14 . 1 1 43 43 GLN CA C 43 60.200 60.200 58.188 2.013 18375 8113 1 14 . 1 1 43 43 GLN CB C 43 29.710 29.710 28.881 0.829 18375 8114 1 14 . 1 1 43 43 GLN H H 43 7.880 7.880 7.803 0.077 18375 8115 1 14 . 1 1 44 44 GLY N N 44 125.760 125.760 106.521 19.239 18375 8116 1 14 . 1 1 44 44 GLY C C 44 174.300 174.300 175.118 -0.818 18375 8117 1 14 . 1 1 44 44 GLY CA C 44 47.660 47.660 46.081 1.579 18375 8118 1 14 . 1 1 44 44 GLY H H 44 8.010 8.010 7.754 0.256 18375 8119 1 14 . 1 1 45 45 ALA N N 45 121.480 121.480 122.621 -1.141 18375 8120 1 14 . 1 1 45 45 ALA HA H 45 4.620 4.620 4.259 0.361 18375 8121 1 14 . 1 1 45 45 ALA C C 45 177.190 177.190 177.303 -0.113 18375 8122 1 14 . 1 1 45 45 ALA CA C 45 52.680 52.680 52.364 0.316 18375 8123 1 14 . 1 1 45 45 ALA CB C 45 20.560 20.560 19.078 1.482 18375 8124 1 14 . 1 1 45 45 ALA H H 45 7.540 7.540 7.635 -0.095 18375 8125 1 14 . 1 1 46 46 GLY N N 46 123.690 123.690 104.653 19.037 18375 8126 1 14 . 1 1 46 46 GLY C C 46 174.980 174.980 174.471 0.509 18375 8127 1 14 . 1 1 46 46 GLY CA C 46 46.540 46.540 44.588 1.952 18375 8128 1 14 . 1 1 46 46 GLY H H 46 7.680 7.680 7.062 0.618 18375 8129 1 14 . 1 1 47 47 PHE N N 47 119.960 119.960 120.308 -0.348 18375 8130 1 14 . 1 1 47 47 PHE HA H 47 4.620 4.620 4.761 -0.141 18375 8131 1 14 . 1 1 47 47 PHE C C 47 176.120 176.120 175.798 0.322 18375 8132 1 14 . 1 1 47 47 PHE CA C 47 59.000 59.000 54.836 4.164 18375 8133 1 14 . 1 1 47 47 PHE CB C 47 40.350 40.350 39.319 1.031 18375 8134 1 14 . 1 1 47 47 PHE H H 47 8.280 8.280 7.970 0.310 18375 8135 1 14 . 1 1 48 48 THR N N 48 120.680 120.680 119.186 1.494 18375 8136 1 14 . 1 1 48 48 THR HA H 48 4.190 4.190 4.412 -0.222 18375 8137 1 14 . 1 1 48 48 THR C C 48 173.000 173.000 173.072 -0.072 18375 8138 1 14 . 1 1 48 48 THR CA C 48 65.150 65.150 61.766 3.384 18375 8139 1 14 . 1 1 48 48 THR CB C 48 70.530 70.530 67.682 2.848 18375 8140 1 14 . 1 1 48 48 THR H H 48 9.260 9.260 8.709 0.551 18375 8141 1 14 . 1 1 49 49 VAL N N 49 111.320 111.320 124.943 -13.623 18375 8142 1 14 . 1 1 49 49 VAL HA H 49 5.380 5.380 4.656 0.724 18375 8143 1 14 . 1 1 49 49 VAL C C 49 175.570 175.570 174.143 1.427 18375 8144 1 14 . 1 1 49 49 VAL CA C 49 61.510 61.510 60.021 1.489 18375 8145 1 14 . 1 1 49 49 VAL CB C 49 34.960 34.960 33.793 1.167 18375 8146 1 14 . 1 1 49 49 VAL H H 49 8.560 8.560 8.097 0.463 18375 8147 1 14 . 1 1 50 50 ASN N N 50 125.000 125.000 125.717 -0.717 18375 8148 1 14 . 1 1 50 50 ASN HA H 50 4.800 4.800 5.148 -0.348 18375 8149 1 14 . 1 1 50 50 ASN C C 50 174.270 174.270 173.614 0.656 18375 8150 1 14 . 1 1 50 50 ASN CA C 50 53.430 53.430 52.543 0.887 18375 8151 1 14 . 1 1 50 50 ASN CB C 50 39.100 39.100 41.193 -2.093 18375 8152 1 14 . 1 1 50 50 ASN H H 50 9.010 9.010 8.447 0.563 18375 8153 1 14 . 1 1 51 51 HIS N N 51 114.650 114.650 115.096 -0.446 18375 8154 1 14 . 1 1 51 51 HIS HA H 51 5.760 5.760 5.104 0.656 18375 8155 1 14 . 1 1 51 51 HIS C C 51 174.060 174.060 173.089 0.971 18375 8156 1 14 . 1 1 51 51 HIS CA C 51 56.360 56.360 55.992 0.368 18375 8157 1 14 . 1 1 51 51 HIS CB C 51 29.980 29.980 30.004 -0.024 18375 8158 1 14 . 1 1 51 51 HIS H H 51 8.550 8.550 8.372 0.178 18375 8159 1 14 . 1 1 52 52 THR N N 52 119.910 119.910 118.119 1.791 18375 8160 1 14 . 1 1 52 52 THR HA H 52 4.600 4.600 4.621 -0.021 18375 8161 1 14 . 1 1 52 52 THR CA C 52 60.140 60.140 59.399 0.741 18375 8162 1 14 . 1 1 52 52 THR CB C 52 71.890 71.890 70.392 1.498 18375 8163 1 14 . 1 1 52 52 THR H H 52 8.500 8.500 7.439 1.061 18375 8164 1 14 . 1 1 53 53 PRO HA H 53 2.920 2.920 4.233 -1.313 18375 8165 1 14 . 1 1 53 53 PRO C C 53 175.410 175.410 175.736 -0.326 18375 8166 1 14 . 1 1 53 53 PRO CA C 53 62.460 62.460 62.749 -0.289 18375 8167 1 14 . 1 1 53 53 PRO CB C 53 33.410 33.410 32.197 1.213 18375 8168 1 14 . 1 1 54 54 SER N N 54 108.990 108.990 115.236 -6.246 18375 8169 1 14 . 1 1 54 54 SER HA H 54 4.300 4.300 4.556 -0.256 18375 8170 1 14 . 1 1 54 54 SER C C 54 172.380 172.380 172.978 -0.598 18375 8171 1 14 . 1 1 54 54 SER CA C 54 58.270 58.270 56.508 1.762 18375 8172 1 14 . 1 1 54 54 SER CB C 54 66.620 66.620 65.561 1.059 18375 8173 1 14 . 1 1 54 54 SER H H 54 6.000 6.000 8.097 -2.097 18375 8174 1 14 . 1 1 55 55 LYS N N 55 124.470 124.470 123.903 0.567 18375 8175 1 14 . 1 1 55 55 LYS HA H 55 3.500 3.500 3.806 -0.306 18375 8176 1 14 . 1 1 55 55 LYS C C 55 177.150 177.150 177.489 -0.339 18375 8177 1 14 . 1 1 55 55 LYS CA C 55 59.850 59.850 57.651 2.199 18375 8178 1 14 . 1 1 55 55 LYS CB C 55 33.010 33.010 31.799 1.211 18375 8179 1 14 . 1 1 55 55 LYS H H 55 8.860 8.860 8.716 0.144 18375 8180 1 14 . 1 1 56 56 GLY N N 56 116.710 116.710 114.067 2.643 18375 8181 1 14 . 1 1 56 56 GLY C C 56 173.430 173.430 173.402 0.028 18375 8182 1 14 . 1 1 56 56 GLY CA C 56 45.600 45.600 44.814 0.786 18375 8183 1 14 . 1 1 56 56 GLY H H 56 8.950 8.950 8.624 0.326 18375 8184 1 14 . 1 1 57 57 ALA N N 57 118.940 118.940 122.027 -3.087 18375 8185 1 14 . 1 1 57 57 ALA HA H 57 4.630 4.630 4.843 -0.213 18375 8186 1 14 . 1 1 57 57 ALA C C 57 174.570 174.570 175.422 -0.852 18375 8187 1 14 . 1 1 57 57 ALA CA C 57 51.840 51.840 50.401 1.440 18375 8188 1 14 . 1 1 57 57 ALA CB C 57 20.960 20.960 21.480 -0.520 18375 8189 1 14 . 1 1 57 57 ALA H H 57 7.420 7.420 7.752 -0.332 18375 8190 1 14 . 1 1 58 58 ILE N N 58 117.340 117.340 115.594 1.746 18375 8191 1 14 . 1 1 58 58 ILE HA H 58 4.720 4.720 4.803 -0.083 18375 8192 1 14 . 1 1 58 58 ILE C C 58 176.920 176.920 174.595 2.325 18375 8193 1 14 . 1 1 58 58 ILE CA C 58 60.910 60.910 60.045 0.865 18375 8194 1 14 . 1 1 58 58 ILE CB C 58 41.820 41.820 42.592 -0.772 18375 8195 1 14 . 1 1 58 58 ILE H H 58 8.350 8.350 8.424 -0.074 18375 8196 1 14 . 1 1 59 59 LEU N N 59 112.330 112.330 120.300 -7.970 18375 8197 1 14 . 1 1 59 59 LEU HA H 59 4.220 4.220 5.008 -0.788 18375 8198 1 14 . 1 1 59 59 LEU C C 59 174.530 174.530 175.234 -0.704 18375 8199 1 14 . 1 1 59 59 LEU CA C 59 56.430 56.430 53.074 3.356 18375 8200 1 14 . 1 1 59 59 LEU CB C 59 44.160 44.160 45.795 -1.635 18375 8201 1 14 . 1 1 59 59 LEU H H 59 8.430 8.430 8.026 0.404 18375 8202 1 14 . 1 1 60 60 GLN N N 60 111.170 111.170 119.322 -8.152 18375 8203 1 14 . 1 1 60 60 GLN HA H 60 4.970 4.970 5.020 -0.050 18375 8204 1 14 . 1 1 60 60 GLN C C 60 172.980 172.980 174.487 -1.507 18375 8205 1 14 . 1 1 60 60 GLN CA C 60 56.720 56.720 55.594 1.126 18375 8206 1 14 . 1 1 60 60 GLN CB C 60 30.950 30.950 31.201 -0.251 18375 8207 1 14 . 1 1 60 60 GLN H H 60 9.490 9.490 8.321 1.169 18375 8208 1 14 . 1 1 61 61 SER N N 61 118.550 118.550 122.701 -4.151 18375 8209 1 14 . 1 1 61 61 SER HA H 61 4.940 4.940 4.763 0.177 18375 8210 1 14 . 1 1 61 61 SER C C 61 174.370 174.370 175.598 -1.228 18375 8211 1 14 . 1 1 61 61 SER CA C 61 56.570 56.570 57.316 -0.746 18375 8212 1 14 . 1 1 61 61 SER CB C 61 67.130 67.130 64.195 2.935 18375 8213 1 14 . 1 1 61 61 SER H H 61 8.800 8.800 8.742 0.058 18375 8214 1 14 . 1 1 62 62 SER N N 62 120.910 120.910 114.158 6.752 18375 8215 1 14 . 1 1 62 62 SER HA H 62 4.540 4.540 4.162 0.378 18375 8216 1 14 . 1 1 62 62 SER C C 62 173.560 173.560 173.969 -0.409 18375 8217 1 14 . 1 1 62 62 SER CA C 62 59.270 59.270 60.701 -1.431 18375 8218 1 14 . 1 1 62 62 SER CB C 62 64.390 64.390 62.343 2.047 18375 8219 1 14 . 1 1 62 62 SER H H 62 8.900 8.900 8.420 0.480 18375 8220 1 14 . 1 1 63 63 GLU N N 63 121.810 121.810 121.885 -0.075 18375 8221 1 14 . 1 1 63 63 GLU HA H 63 4.220 4.220 4.508 -0.288 18375 8222 1 14 . 1 1 63 63 GLU C C 63 176.030 176.030 176.472 -0.442 18375 8223 1 14 . 1 1 63 63 GLU CA C 63 57.840 57.840 56.261 1.579 18375 8224 1 14 . 1 1 63 63 GLU CB C 63 32.170 32.170 30.628 1.542 18375 8225 1 14 . 1 1 63 63 GLU H H 63 8.040 8.040 7.540 0.500 18375 8226 1 14 . 1 1 64 64 GLY N N 64 125.900 125.900 109.088 16.812 18375 8227 1 14 . 1 1 64 64 GLY CA C 64 45.490 45.490 44.382 1.108 18375 8228 1 14 . 1 1 64 64 GLY H H 64 8.200 8.200 8.177 0.023 18375 8229 1 14 . 1 1 65 65 PRO HA H 65 4.040 4.040 4.183 -0.143 18375 8230 1 14 . 1 1 65 65 PRO C C 65 177.870 177.870 176.649 1.221 18375 8231 1 14 . 1 1 65 65 PRO CA C 65 65.610 65.610 64.853 0.757 18375 8232 1 14 . 1 1 65 65 PRO CB C 65 32.160 32.160 31.988 0.172 18375 8233 1 14 . 1 1 66 66 PHE N N 66 112.970 112.970 116.236 -3.266 18375 8234 1 14 . 1 1 66 66 PHE HA H 66 4.920 4.920 4.732 0.188 18375 8235 1 14 . 1 1 66 66 PHE C C 66 176.190 176.190 175.731 0.459 18375 8236 1 14 . 1 1 66 66 PHE CA C 66 57.420 57.420 57.997 -0.577 18375 8237 1 14 . 1 1 66 66 PHE CB C 66 42.360 42.360 39.764 2.596 18375 8238 1 14 . 1 1 66 66 PHE H H 66 8.490 8.490 8.418 0.072 18375 8239 1 14 . 1 1 67 67 GLY N N 67 124.370 124.370 107.422 16.948 18375 8240 1 14 . 1 1 67 67 GLY C C 67 172.480 172.480 173.168 -0.688 18375 8241 1 14 . 1 1 67 67 GLY CA C 67 46.860 46.860 44.659 2.201 18375 8242 1 14 . 1 1 67 67 GLY H H 67 6.940 6.940 7.748 -0.808 18375 8243 1 14 . 1 1 68 68 HIS N N 68 117.820 117.820 118.835 -1.015 18375 8244 1 14 . 1 1 68 68 HIS HA H 68 5.020 5.020 4.919 0.101 18375 8245 1 14 . 1 1 68 68 HIS C C 68 173.790 173.790 173.558 0.232 18375 8246 1 14 . 1 1 68 68 HIS CA C 68 58.230 58.230 55.929 2.301 18375 8247 1 14 . 1 1 68 68 HIS CB C 68 36.120 36.120 31.375 4.745 18375 8248 1 14 . 1 1 68 68 HIS H H 68 8.590 8.590 8.246 0.344 18375 8249 1 14 . 1 1 69 69 VAL N N 69 116.830 116.830 118.323 -1.493 18375 8250 1 14 . 1 1 69 69 VAL HA H 69 5.320 5.320 4.552 0.768 18375 8251 1 14 . 1 1 69 69 VAL C C 69 173.060 173.060 173.484 -0.424 18375 8252 1 14 . 1 1 69 69 VAL CA C 69 58.940 58.940 59.275 -0.335 18375 8253 1 14 . 1 1 69 69 VAL CB C 69 37.700 37.700 32.279 5.421 18375 8254 1 14 . 1 1 69 69 VAL H H 69 6.040 6.040 7.717 -1.677 18375 8255 1 14 . 1 1 70 70 ALA N N 70 120.820 120.820 128.869 -8.049 18375 8256 1 14 . 1 1 70 70 ALA HA H 70 4.510 4.510 4.539 -0.029 18375 8257 1 14 . 1 1 70 70 ALA C C 70 173.870 173.870 175.966 -2.096 18375 8258 1 14 . 1 1 70 70 ALA CA C 70 51.560 51.560 50.155 1.405 18375 8259 1 14 . 1 1 70 70 ALA CB C 70 26.390 26.390 21.326 5.064 18375 8260 1 14 . 1 1 70 70 ALA H H 70 8.890 8.890 7.986 0.904 18375 8261 1 14 . 1 1 71 71 TYR N N 71 121.640 121.640 126.185 -4.545 18375 8262 1 14 . 1 1 71 71 TYR HA H 71 4.890 4.890 4.367 0.523 18375 8263 1 14 . 1 1 71 71 TYR C C 71 174.620 174.620 174.616 0.004 18375 8264 1 14 . 1 1 71 71 TYR CA C 71 58.140 58.140 58.269 -0.129 18375 8265 1 14 . 1 1 71 71 TYR CB C 71 42.850 42.850 39.361 3.489 18375 8266 1 14 . 1 1 71 71 TYR H H 71 9.310 9.310 8.329 0.981 18375 8267 1 14 . 1 1 72 72 VAL N N 72 126.010 126.010 128.247 -2.237 18375 8268 1 14 . 1 1 72 72 VAL HA H 72 3.880 3.880 3.915 -0.035 18375 8269 1 14 . 1 1 72 72 VAL C C 72 174.250 174.250 176.022 -1.772 18375 8270 1 14 . 1 1 72 72 VAL CA C 72 64.970 64.970 62.398 2.572 18375 8271 1 14 . 1 1 72 72 VAL CB C 72 31.470 31.470 30.121 1.349 18375 8272 1 14 . 1 1 72 72 VAL H H 72 8.230 8.230 8.602 -0.372 18375 8273 1 14 . 1 1 73 73 GLU N N 73 112.690 112.690 128.079 -15.389 18375 8274 1 14 . 1 1 73 73 GLU HA H 73 4.250 4.250 4.097 0.153 18375 8275 1 14 . 1 1 73 73 GLU C C 73 178.020 178.020 176.238 1.782 18375 8276 1 14 . 1 1 73 73 GLU CA C 73 58.400 58.400 58.616 -0.216 18375 8277 1 14 . 1 1 73 73 GLU CB C 73 31.050 31.050 30.555 0.495 18375 8278 1 14 . 1 1 73 73 GLU H H 73 8.820 8.820 8.371 0.449 18375 8279 1 14 . 1 1 74 74 SER N N 74 125.880 125.880 108.739 17.141 18375 8280 1 14 . 1 1 74 74 SER HA H 74 4.330 4.330 4.463 -0.133 18375 8281 1 14 . 1 1 74 74 SER C C 74 172.030 172.030 171.559 0.471 18375 8282 1 14 . 1 1 74 74 SER CA C 74 59.220 59.220 57.723 1.497 18375 8283 1 14 . 1 1 74 74 SER CB C 74 65.620 65.620 64.950 0.670 18375 8284 1 14 . 1 1 74 74 SER H H 74 7.900 7.900 7.579 0.321 18375 8285 1 14 . 1 1 75 75 VAL N N 75 122.760 122.760 122.267 0.493 18375 8286 1 14 . 1 1 75 75 VAL HA H 75 4.320 4.320 4.285 0.035 18375 8287 1 14 . 1 1 75 75 VAL C C 75 176.270 176.270 174.519 1.751 18375 8288 1 14 . 1 1 75 75 VAL CA C 75 63.380 63.380 60.550 2.830 18375 8289 1 14 . 1 1 75 75 VAL CB C 75 32.750 32.750 33.087 -0.336 18375 8290 1 14 . 1 1 75 75 VAL H H 75 8.400 8.400 8.395 0.005 18375 8291 1 14 . 1 1 76 76 ASN N N 76 125.270 125.270 126.684 -1.414 18375 8292 1 14 . 1 1 76 76 ASN HA H 76 4.790 4.790 4.800 -0.010 18375 8293 1 14 . 1 1 76 76 ASN CA C 76 54.260 54.260 53.391 0.869 18375 8294 1 14 . 1 1 76 76 ASN CB C 76 39.960 39.960 39.904 0.056 18375 8295 1 14 . 1 1 76 76 ASN H H 76 9.080 9.080 8.835 0.245 18375 8296 1 14 . 1 1 77 77 SER HA H 77 4.130 4.130 4.343 -0.213 18375 8297 1 14 . 1 1 77 77 SER C C 77 174.410 174.410 174.725 -0.315 18375 8298 1 14 . 1 1 77 77 SER CA C 77 62.670 62.670 60.747 1.923 18375 8299 1 14 . 1 1 77 77 SER CB C 77 63.600 63.600 63.107 0.493 18375 8300 1 14 . 1 1 78 78 ASP N N 78 118.590 118.590 120.205 -1.615 18375 8301 1 14 . 1 1 78 78 ASP HA H 78 4.580 4.580 4.711 -0.131 18375 8302 1 14 . 1 1 78 78 ASP C C 78 176.790 176.790 176.776 0.014 18375 8303 1 14 . 1 1 78 78 ASP CA C 78 53.960 53.960 53.834 0.126 18375 8304 1 14 . 1 1 78 78 ASP CB C 78 40.880 40.880 40.302 0.578 18375 8305 1 14 . 1 1 78 78 ASP H H 78 7.980 7.980 8.102 -0.122 18375 8306 1 14 . 1 1 79 79 GLY N N 79 109.220 109.220 106.353 2.867 18375 8307 1 14 . 1 1 79 79 GLY C C 79 173.470 173.470 173.240 0.230 18375 8308 1 14 . 1 1 79 79 GLY CA C 79 46.050 46.050 45.038 1.012 18375 8309 1 14 . 1 1 79 79 GLY H H 79 8.180 8.180 7.978 0.202 18375 8310 1 14 . 1 1 80 80 SER N N 80 114.200 114.200 117.823 -3.623 18375 8311 1 14 . 1 1 80 80 SER HA H 80 4.350 4.350 4.709 -0.359 18375 8312 1 14 . 1 1 80 80 SER C C 80 172.630 172.630 173.669 -1.039 18375 8313 1 14 . 1 1 80 80 SER CA C 80 59.580 59.580 58.504 1.076 18375 8314 1 14 . 1 1 80 80 SER CB C 80 65.710 65.710 64.187 1.523 18375 8315 1 14 . 1 1 80 80 SER H H 80 7.930 7.930 7.606 0.324 18375 8316 1 14 . 1 1 81 81 VAL N N 81 118.060 118.060 125.128 -7.068 18375 8317 1 14 . 1 1 81 81 VAL HA H 81 4.690 4.690 4.264 0.426 18375 8318 1 14 . 1 1 81 81 VAL C C 81 175.220 175.220 175.307 -0.087 18375 8319 1 14 . 1 1 81 81 VAL CA C 81 61.980 61.980 61.597 0.383 18375 8320 1 14 . 1 1 81 81 VAL CB C 81 36.810 36.810 33.148 3.662 18375 8321 1 14 . 1 1 81 81 VAL H H 81 8.820 8.820 9.202 -0.382 18375 8322 1 14 . 1 1 82 82 THR N N 82 125.170 125.170 125.235 -0.065 18375 8323 1 14 . 1 1 82 82 THR HA H 82 5.190 5.190 4.568 0.622 18375 8324 1 14 . 1 1 82 82 THR C C 82 174.150 174.150 173.883 0.267 18375 8325 1 14 . 1 1 82 82 THR CA C 82 63.440 63.440 63.163 0.276 18375 8326 1 14 . 1 1 82 82 THR CB C 82 70.520 70.520 68.623 1.897 18375 8327 1 14 . 1 1 82 82 THR H H 82 9.020 9.020 8.640 0.380 18375 8328 1 14 . 1 1 83 83 ILE N N 83 120.970 120.970 123.395 -2.425 18375 8329 1 14 . 1 1 83 83 ILE HA H 83 5.640 5.640 5.000 0.640 18375 8330 1 14 . 1 1 83 83 ILE C C 83 175.030 175.030 174.075 0.955 18375 8331 1 14 . 1 1 83 83 ILE CA C 83 59.440 59.440 58.929 0.511 18375 8332 1 14 . 1 1 83 83 ILE CB C 83 42.170 42.170 41.329 0.841 18375 8333 1 14 . 1 1 83 83 ILE H H 83 9.280 9.280 7.819 1.461 18375 8334 1 14 . 1 1 84 84 SER N N 84 115.430 115.430 117.648 -2.218 18375 8335 1 14 . 1 1 84 84 SER HA H 84 5.590 5.590 4.986 0.604 18375 8336 1 14 . 1 1 84 84 SER C C 84 173.130 173.130 173.144 -0.014 18375 8337 1 14 . 1 1 84 84 SER CA C 84 58.050 58.050 57.445 0.605 18375 8338 1 14 . 1 1 84 84 SER CB C 84 67.140 67.140 64.910 2.229 18375 8339 1 14 . 1 1 84 84 SER H H 84 9.600 9.600 9.006 0.594 18375 8340 1 14 . 1 1 85 85 GLU N N 85 117.660 117.660 126.373 -8.713 18375 8341 1 14 . 1 1 85 85 GLU HA H 85 5.180 5.180 5.146 0.034 18375 8342 1 14 . 1 1 85 85 GLU C C 85 171.780 171.780 174.143 -2.363 18375 8343 1 14 . 1 1 85 85 GLU CA C 85 54.880 54.880 54.918 -0.038 18375 8344 1 14 . 1 1 85 85 GLU CB C 85 33.540 33.540 33.390 0.150 18375 8345 1 14 . 1 1 85 85 GLU H H 85 8.800 8.800 8.164 0.636 18375 8346 1 14 . 1 1 86 86 MET N N 86 118.950 118.950 124.717 -5.767 18375 8347 1 14 . 1 1 86 86 MET HA H 86 5.250 5.250 4.370 0.880 18375 8348 1 14 . 1 1 86 86 MET C C 86 175.010 175.010 176.506 -1.496 18375 8349 1 14 . 1 1 86 86 MET CA C 86 53.880 53.880 55.400 -1.520 18375 8350 1 14 . 1 1 86 86 MET CB C 86 38.240 38.240 33.898 4.342 18375 8351 1 14 . 1 1 86 86 MET H H 86 8.490 8.490 8.816 -0.326 18375 8352 1 14 . 1 1 87 87 ASN N N 87 116.670 116.670 124.926 -8.256 18375 8353 1 14 . 1 1 87 87 ASN HA H 87 4.190 4.190 4.290 -0.100 18375 8354 1 14 . 1 1 87 87 ASN C C 87 174.810 174.810 176.065 -1.255 18375 8355 1 14 . 1 1 87 87 ASN CA C 87 54.520 54.520 56.459 -1.939 18375 8356 1 14 . 1 1 87 87 ASN CB C 87 39.330 39.330 37.339 1.991 18375 8357 1 14 . 1 1 87 87 ASN H H 87 8.250 8.250 8.809 -0.559 18375 8358 1 14 . 1 1 88 88 TYR N N 88 119.600 119.600 117.427 2.173 18375 8359 1 14 . 1 1 88 88 TYR HA H 88 4.290 4.290 4.012 0.278 18375 8360 1 14 . 1 1 88 88 TYR C C 88 175.620 175.620 174.579 1.041 18375 8361 1 14 . 1 1 88 88 TYR CA C 88 60.720 60.720 60.811 -0.091 18375 8362 1 14 . 1 1 88 88 TYR CB C 88 41.430 41.430 37.633 3.797 18375 8363 1 14 . 1 1 88 88 TYR H H 88 8.940 8.940 8.745 0.195 18375 8364 1 14 . 1 1 89 89 SER N N 89 113.120 113.120 116.235 -3.115 18375 8365 1 14 . 1 1 89 89 SER HA H 89 4.320 4.320 4.472 -0.152 18375 8366 1 14 . 1 1 89 89 SER C C 89 174.860 174.860 173.532 1.328 18375 8367 1 14 . 1 1 89 89 SER CA C 89 58.690 58.690 58.205 0.485 18375 8368 1 14 . 1 1 89 89 SER CB C 89 65.140 65.140 64.228 0.912 18375 8369 1 14 . 1 1 89 89 SER H H 89 8.060 8.060 8.101 -0.041 18375 8370 1 14 . 1 1 90 90 GLY N N 90 110.450 110.450 111.862 -1.412 18375 8371 1 14 . 1 1 90 90 GLY C C 90 174.680 174.680 173.795 0.885 18375 8372 1 14 . 1 1 90 90 GLY CA C 90 45.950 45.950 45.541 0.409 18375 8373 1 14 . 1 1 90 90 GLY H H 90 8.180 8.180 7.795 0.385 18375 8374 1 14 . 1 1 91 91 GLY N N 91 108.710 108.710 112.111 -3.401 18375 8375 1 14 . 1 1 91 91 GLY CA C 91 45.880 45.880 43.458 2.422 18375 8376 1 14 . 1 1 91 91 GLY H H 91 8.330 8.330 8.563 -0.233 18375 8377 1 14 . 1 1 92 92 PRO HA H 92 4.040 4.040 4.482 -0.442 18375 8378 1 14 . 1 1 92 92 PRO C C 92 177.930 177.930 176.303 1.627 18375 8379 1 14 . 1 1 92 92 PRO CA C 92 64.710 64.710 63.193 1.517 18375 8380 1 14 . 1 1 92 92 PRO CB C 92 32.690 32.690 32.083 0.607 18375 8381 1 14 . 1 1 93 93 PHE N N 93 113.220 113.220 117.549 -4.329 18375 8382 1 14 . 1 1 93 93 PHE HA H 93 4.480 4.480 4.127 0.353 18375 8383 1 14 . 1 1 93 93 PHE C C 93 174.490 174.490 175.629 -1.139 18375 8384 1 14 . 1 1 93 93 PHE CA C 93 62.890 62.890 58.988 3.902 18375 8385 1 14 . 1 1 93 93 PHE CB C 93 37.410 37.410 36.968 0.442 18375 8386 1 14 . 1 1 93 93 PHE H H 93 8.350 8.350 8.016 0.334 18375 8387 1 14 . 1 1 94 94 SER N N 94 115.680 115.680 117.768 -2.088 18375 8388 1 14 . 1 1 94 94 SER HA H 94 4.620 4.620 4.493 0.127 18375 8389 1 14 . 1 1 94 94 SER C C 94 174.290 174.290 173.707 0.583 18375 8390 1 14 . 1 1 94 94 SER CA C 94 59.150 59.150 58.687 0.463 18375 8391 1 14 . 1 1 94 94 SER CB C 94 64.690 64.690 62.603 2.087 18375 8392 1 14 . 1 1 94 94 SER H H 94 7.980 7.980 8.015 -0.035 18375 8393 1 14 . 1 1 95 95 VAL N N 95 112.520 112.520 127.803 -15.283 18375 8394 1 14 . 1 1 95 95 VAL HA H 95 4.830 4.830 3.907 0.923 18375 8395 1 14 . 1 1 95 95 VAL C C 95 175.770 175.770 175.143 0.627 18375 8396 1 14 . 1 1 95 95 VAL CA C 95 62.520 62.520 62.837 -0.317 18375 8397 1 14 . 1 1 95 95 VAL CB C 95 34.010 34.010 31.971 2.039 18375 8398 1 14 . 1 1 95 95 VAL H H 95 8.840 8.840 7.858 0.982 18375 8399 1 14 . 1 1 96 96 SER N N 96 122.260 122.260 126.765 -4.505 18375 8400 1 14 . 1 1 96 96 SER HA H 96 4.810 4.810 4.507 0.303 18375 8401 1 14 . 1 1 96 96 SER C C 96 172.250 172.250 173.535 -1.285 18375 8402 1 14 . 1 1 96 96 SER CA C 96 58.080 58.080 57.989 0.091 18375 8403 1 14 . 1 1 96 96 SER CB C 96 66.590 66.590 63.096 3.494 18375 8404 1 14 . 1 1 96 96 SER H H 96 9.190 9.190 9.118 0.072 18375 8405 1 14 . 1 1 97 97 SER N N 97 112.810 112.810 122.727 -9.917 18375 8406 1 14 . 1 1 97 97 SER HA H 97 5.620 5.620 4.353 1.267 18375 8407 1 14 . 1 1 97 97 SER C C 97 174.130 174.130 174.590 -0.460 18375 8408 1 14 . 1 1 97 97 SER CA C 97 57.260 57.260 59.813 -2.553 18375 8409 1 14 . 1 1 97 97 SER CB C 97 66.740 66.740 63.521 3.219 18375 8410 1 14 . 1 1 97 97 SER H H 97 8.290 8.290 8.329 -0.039 18375 8411 1 14 . 1 1 98 98 ARG N N 98 122.640 122.640 127.376 -4.736 18375 8412 1 14 . 1 1 98 98 ARG HA H 98 4.650 4.650 4.723 -0.073 18375 8413 1 14 . 1 1 98 98 ARG C C 98 174.030 174.030 175.143 -1.113 18375 8414 1 14 . 1 1 98 98 ARG CA C 98 56.640 56.640 55.110 1.530 18375 8415 1 14 . 1 1 98 98 ARG CB C 98 36.240 36.240 33.810 2.430 18375 8416 1 14 . 1 1 98 98 ARG H H 98 8.380 8.380 8.137 0.243 18375 8417 1 14 . 1 1 99 99 THR N N 99 118.220 118.220 118.011 0.209 18375 8418 1 14 . 1 1 99 99 THR HA H 99 5.280 5.280 4.985 0.295 18375 8419 1 14 . 1 1 99 99 THR C C 99 173.930 173.930 173.561 0.369 18375 8420 1 14 . 1 1 99 99 THR CA C 99 62.820 62.820 61.361 1.459 18375 8421 1 14 . 1 1 99 99 THR CB C 99 71.360 71.360 70.324 1.036 18375 8422 1 14 . 1 1 99 99 THR H H 99 8.650 8.650 8.319 0.331 18375 8423 1 14 . 1 1 100 100 ILE N N 100 112.130 112.130 127.936 -15.806 18375 8424 1 14 . 1 1 100 100 ILE HA H 100 4.290 4.290 4.406 -0.116 18375 8425 1 14 . 1 1 100 100 ILE C C 100 175.190 175.190 175.300 -0.110 18375 8426 1 14 . 1 1 100 100 ILE CA C 100 60.340 60.340 58.399 1.941 18375 8427 1 14 . 1 1 100 100 ILE CB C 100 40.390 40.390 37.847 2.542 18375 8428 1 14 . 1 1 100 100 ILE H H 100 9.560 9.560 9.043 0.517 18375 8429 1 14 . 1 1 101 101 SER N N 101 121.940 121.940 123.463 -1.523 18375 8430 1 14 . 1 1 101 101 SER HA H 101 4.120 4.120 4.504 -0.384 18375 8431 1 14 . 1 1 101 101 SER C C 101 174.230 174.230 175.776 -1.546 18375 8432 1 14 . 1 1 101 101 SER CA C 101 59.450 59.450 57.221 2.229 18375 8433 1 14 . 1 1 101 101 SER CB C 101 65.410 65.410 64.884 0.526 18375 8434 1 14 . 1 1 101 101 SER H H 101 8.860 8.860 8.839 0.021 18375 8435 1 14 . 1 1 102 102 ALA N N 102 123.870 123.870 130.471 -6.601 18375 8436 1 14 . 1 1 102 102 ALA HA H 102 3.910 3.910 4.063 -0.153 18375 8437 1 14 . 1 1 102 102 ALA C C 102 170.440 170.440 179.629 -9.189 18375 8438 1 14 . 1 1 102 102 ALA CA C 102 56.360 56.360 54.903 1.457 18375 8439 1 14 . 1 1 102 102 ALA CB C 102 19.430 19.430 18.559 0.871 18375 8440 1 14 . 1 1 102 102 ALA H H 102 8.860 8.860 8.912 -0.052 18375 8441 1 14 . 1 1 103 103 SER N N 103 109.980 109.980 113.637 -3.657 18375 8442 1 14 . 1 1 103 103 SER HA H 103 4.200 4.200 4.077 0.123 18375 8443 1 14 . 1 1 103 103 SER C C 103 176.050 176.050 176.834 -0.784 18375 8444 1 14 . 1 1 103 103 SER CA C 103 61.680 61.680 61.178 0.502 18375 8445 1 14 . 1 1 103 103 SER CB C 103 63.640 63.640 63.124 0.516 18375 8446 1 14 . 1 1 103 103 SER H H 103 8.180 8.180 7.889 0.291 18375 8447 1 14 . 1 1 104 104 GLU N N 104 121.250 121.250 120.964 0.286 18375 8448 1 14 . 1 1 104 104 GLU HA H 104 4.260 4.260 4.408 -0.148 18375 8449 1 14 . 1 1 104 104 GLU C C 104 178.240 178.240 178.723 -0.483 18375 8450 1 14 . 1 1 104 104 GLU CA C 104 57.960 57.960 58.218 -0.258 18375 8451 1 14 . 1 1 104 104 GLU CB C 104 32.210 32.210 29.682 2.528 18375 8452 1 14 . 1 1 104 104 GLU H H 104 7.560 7.560 7.626 -0.066 18375 8453 1 14 . 1 1 105 105 ALA N N 105 121.520 121.520 122.608 -1.088 18375 8454 1 14 . 1 1 105 105 ALA HA H 105 4.060 4.060 4.452 -0.392 18375 8455 1 14 . 1 1 105 105 ALA C C 105 170.230 170.230 179.784 -9.554 18375 8456 1 14 . 1 1 105 105 ALA CA C 105 57.080 57.080 54.709 2.371 18375 8457 1 14 . 1 1 105 105 ALA CB C 105 19.320 19.320 18.117 1.203 18375 8458 1 14 . 1 1 105 105 ALA H H 105 8.280 8.280 8.501 -0.221 18375 8459 1 14 . 1 1 106 106 GLY N N 106 121.950 121.950 106.524 15.426 18375 8460 1 14 . 1 1 106 106 GLY C C 106 174.110 174.110 175.130 -1.020 18375 8461 1 14 . 1 1 106 106 GLY CA C 106 46.780 46.780 46.589 0.191 18375 8462 1 14 . 1 1 106 106 GLY H H 106 8.360 8.360 8.284 0.076 18375 8463 1 14 . 1 1 107 107 ASN N N 107 117.130 117.130 116.550 0.580 18375 8464 1 14 . 1 1 107 107 ASN HA H 107 4.480 4.480 4.453 0.027 18375 8465 1 14 . 1 1 107 107 ASN C C 107 175.110 175.110 174.253 0.857 18375 8466 1 14 . 1 1 107 107 ASN CA C 107 54.220 54.220 52.757 1.463 18375 8467 1 14 . 1 1 107 107 ASN CB C 107 38.890 38.890 39.498 -0.608 18375 8468 1 14 . 1 1 107 107 ASN H H 107 7.830 7.830 7.931 -0.101 18375 8469 1 14 . 1 1 108 108 TYR N N 108 117.300 117.300 120.870 -3.570 18375 8470 1 14 . 1 1 108 108 TYR HA H 108 4.620 4.620 4.920 -0.300 18375 8471 1 14 . 1 1 108 108 TYR C C 108 174.810 174.810 176.123 -1.313 18375 8472 1 14 . 1 1 108 108 TYR CA C 108 58.700 58.700 59.136 -0.436 18375 8473 1 14 . 1 1 108 108 TYR CB C 108 41.260 41.260 38.415 2.845 18375 8474 1 14 . 1 1 108 108 TYR H H 108 7.020 7.020 7.111 -0.091 18375 8475 1 14 . 1 1 109 109 ASN N N 109 117.260 117.260 121.911 -4.651 18375 8476 1 14 . 1 1 109 109 ASN HA H 109 5.020 5.020 5.206 -0.186 18375 8477 1 14 . 1 1 109 109 ASN C C 109 173.590 173.590 174.242 -0.652 18375 8478 1 14 . 1 1 109 109 ASN CA C 109 53.140 53.140 53.273 -0.133 18375 8479 1 14 . 1 1 109 109 ASN CB C 109 41.590 41.590 40.201 1.389 18375 8480 1 14 . 1 1 109 109 ASN H H 109 7.910 7.910 8.621 -0.711 18375 8481 1 14 . 1 1 110 110 TYR N N 110 117.410 117.410 113.932 3.478 18375 8482 1 14 . 1 1 110 110 TYR HA H 110 5.300 5.300 5.090 0.210 18375 8483 1 14 . 1 1 110 110 TYR C C 110 174.450 174.450 173.217 1.233 18375 8484 1 14 . 1 1 110 110 TYR CA C 110 57.740 57.740 56.333 1.407 18375 8485 1 14 . 1 1 110 110 TYR CB C 110 41.580 41.580 40.699 0.881 18375 8486 1 14 . 1 1 110 110 TYR H H 110 9.340 9.340 8.464 0.876 18375 8487 1 14 . 1 1 111 111 ILE N N 111 123.080 123.080 118.440 4.640 18375 8488 1 14 . 1 1 111 111 ILE HA H 111 4.360 4.360 4.500 -0.140 18375 8489 1 14 . 1 1 111 111 ILE C C 111 175.250 175.250 173.868 1.382 18375 8490 1 14 . 1 1 111 111 ILE CA C 111 61.530 61.530 59.905 1.625 18375 8491 1 14 . 1 1 111 111 ILE CB C 111 40.560 40.560 39.666 0.894 18375 8492 1 14 . 1 1 111 111 ILE H H 111 9.320 9.320 8.378 0.942 18375 8493 1 14 . 1 1 112 112 HIS N N 112 109.020 109.020 123.843 -14.823 18375 8494 1 14 . 1 1 112 112 HIS HA H 112 4.560 4.560 4.727 -0.167 18375 8495 1 14 . 1 1 112 112 HIS C C 112 173.980 173.980 174.327 -0.347 18375 8496 1 14 . 1 1 112 112 HIS CA C 112 57.550 57.550 53.711 3.839 18375 8497 1 14 . 1 1 112 112 HIS CB C 112 31.350 31.350 31.763 -0.413 18375 8498 1 14 . 1 1 112 112 HIS H H 112 8.710 8.710 7.474 1.236 18375 8499 1 15 . 1 1 3 3 SER HA H 3 4.510 4.510 4.741 -0.231 18375 8500 1 15 . 1 1 3 3 SER C C 3 174.460 174.460 173.427 1.033 18375 8501 1 15 . 1 1 3 3 SER CA C 3 59.400 59.400 58.184 1.216 18375 8502 1 15 . 1 1 3 3 SER CB C 3 64.820 64.820 63.189 1.631 18375 8503 1 15 . 1 1 4 4 ILE N N 4 121.890 121.890 127.284 -5.394 18375 8504 1 15 . 1 1 4 4 ILE HA H 4 4.210 4.210 4.314 -0.104 18375 8505 1 15 . 1 1 4 4 ILE C C 4 176.040 176.040 175.992 0.048 18375 8506 1 15 . 1 1 4 4 ILE CA C 4 62.180 62.180 61.450 0.730 18375 8507 1 15 . 1 1 4 4 ILE CB C 4 39.930 39.930 38.066 1.864 18375 8508 1 15 . 1 1 4 4 ILE H H 4 8.180 8.180 8.711 -0.531 18375 8509 1 15 . 1 1 5 5 SER N N 5 119.230 119.230 123.352 -4.122 18375 8510 1 15 . 1 1 5 5 SER C C 5 174.290 174.290 174.483 -0.193 18375 8511 1 15 . 1 1 5 5 SER CA C 5 59.140 59.140 58.316 0.824 18375 8512 1 15 . 1 1 5 5 SER CB C 5 64.930 64.930 64.341 0.589 18375 8513 1 15 . 1 1 5 5 SER H H 5 8.270 8.270 8.940 -0.670 18375 8514 1 15 . 1 1 6 6 HIS HA H 6 4.650 4.650 4.788 -0.138 18375 8515 1 15 . 1 1 6 6 HIS CA C 6 57.240 57.240 55.989 1.252 18375 8516 1 15 . 1 1 6 6 HIS CB C 6 31.150 31.150 29.822 1.328 18375 8517 1 15 . 1 1 7 7 SER N N 7 117.260 117.260 121.451 -4.191 18375 8518 1 15 . 1 1 7 7 SER HA H 7 4.430 4.430 4.547 -0.117 18375 8519 1 15 . 1 1 7 7 SER C C 7 174.890 174.890 174.584 0.306 18375 8520 1 15 . 1 1 7 7 SER CA C 7 59.750 59.750 57.682 2.068 18375 8521 1 15 . 1 1 7 7 SER CB C 7 64.890 64.890 64.613 0.277 18375 8522 1 15 . 1 1 7 7 SER H H 7 8.360 8.360 8.140 0.220 18375 8523 1 15 . 1 1 8 8 GLY N N 8 110.140 110.140 109.876 0.264 18375 8524 1 15 . 1 1 8 8 GLY C C 8 173.340 173.340 173.677 -0.337 18375 8525 1 15 . 1 1 8 8 GLY CA C 8 45.920 45.920 44.227 1.693 18375 8526 1 15 . 1 1 8 8 GLY H H 8 8.500 8.500 8.202 0.298 18375 8527 1 15 . 1 1 9 9 ASN N N 9 118.840 118.840 117.257 1.583 18375 8528 1 15 . 1 1 9 9 ASN HA H 9 3.430 3.430 4.776 -1.346 18375 8529 1 15 . 1 1 9 9 ASN C C 9 175.460 175.460 177.427 -1.967 18375 8530 1 15 . 1 1 9 9 ASN CA C 9 53.400 53.400 52.735 0.665 18375 8531 1 15 . 1 1 9 9 ASN CB C 9 38.780 38.780 39.248 -0.468 18375 8532 1 15 . 1 1 9 9 ASN H H 9 8.280 8.280 8.500 -0.220 18375 8533 1 15 . 1 1 10 10 LEU N N 10 125.560 125.560 123.245 2.315 18375 8534 1 15 . 1 1 10 10 LEU HA H 10 4.250 4.250 4.188 0.062 18375 8535 1 15 . 1 1 10 10 LEU C C 10 177.320 177.320 177.686 -0.366 18375 8536 1 15 . 1 1 10 10 LEU CA C 10 55.080 55.080 55.527 -0.447 18375 8537 1 15 . 1 1 10 10 LEU CB C 10 42.110 42.110 42.233 -0.123 18375 8538 1 15 . 1 1 10 10 LEU H H 10 6.850 6.850 8.316 -1.466 18375 8539 1 15 . 1 1 11 11 TYR N N 11 120.920 120.920 118.440 2.480 18375 8540 1 15 . 1 1 11 11 TYR HA H 11 4.350 4.350 4.398 -0.048 18375 8541 1 15 . 1 1 11 11 TYR C C 11 174.800 174.800 177.568 -2.768 18375 8542 1 15 . 1 1 11 11 TYR CA C 11 60.200 60.200 59.480 0.720 18375 8543 1 15 . 1 1 11 11 TYR CB C 11 38.520 38.520 39.869 -1.349 18375 8544 1 15 . 1 1 11 11 TYR H H 11 7.680 7.680 8.477 -0.797 18375 8545 1 15 . 1 1 12 12 THR N N 12 118.320 118.320 116.147 2.173 18375 8546 1 15 . 1 1 12 12 THR HA H 12 3.680 3.680 4.105 -0.425 18375 8547 1 15 . 1 1 12 12 THR C C 12 173.180 173.180 173.171 0.009 18375 8548 1 15 . 1 1 12 12 THR CA C 12 65.310 65.310 64.973 0.337 18375 8549 1 15 . 1 1 12 12 THR CB C 12 70.080 70.080 69.362 0.718 18375 8550 1 15 . 1 1 12 12 THR H H 12 8.320 8.320 8.884 -0.564 18375 8551 1 15 . 1 1 13 13 ALA N N 13 111.540 111.540 120.870 -9.330 18375 8552 1 15 . 1 1 13 13 ALA HA H 13 3.690 3.690 3.272 0.418 18375 8553 1 15 . 1 1 13 13 ALA CA C 13 53.700 53.700 51.512 2.188 18375 8554 1 15 . 1 1 13 13 ALA H H 13 8.150 8.150 7.418 0.732 18375 8555 1 15 . 1 1 14 14 GLY N N 14 109.410 109.410 107.060 2.350 18375 8556 1 15 . 1 1 14 14 GLY C C 14 173.310 173.310 174.719 -1.409 18375 8557 1 15 . 1 1 14 14 GLY CA C 14 44.150 44.150 44.958 -0.808 18375 8558 1 15 . 1 1 14 14 GLY H H 14 4.990 4.990 6.381 -1.391 18375 8559 1 15 . 1 1 15 15 GLN N N 15 115.720 115.720 119.113 -3.393 18375 8560 1 15 . 1 1 15 15 GLN HA H 15 4.410 4.410 4.206 0.204 18375 8561 1 15 . 1 1 15 15 GLN C C 15 176.310 176.310 177.288 -0.978 18375 8562 1 15 . 1 1 15 15 GLN CA C 15 55.570 55.570 56.021 -0.451 18375 8563 1 15 . 1 1 15 15 GLN CB C 15 31.180 31.180 29.154 2.026 18375 8564 1 15 . 1 1 15 15 GLN H H 15 7.170 7.170 7.763 -0.593 18375 8565 1 15 . 1 1 16 16 CYS N N 16 118.020 118.020 118.412 -0.392 18375 8566 1 15 . 1 1 16 16 CYS HA H 16 4.590 4.590 4.391 0.199 18375 8567 1 15 . 1 1 16 16 CYS C C 16 176.730 176.730 176.608 0.122 18375 8568 1 15 . 1 1 16 16 CYS CA C 16 61.050 61.050 61.719 -0.669 18375 8569 1 15 . 1 1 16 16 CYS CB C 16 28.600 28.600 27.984 0.616 18375 8570 1 15 . 1 1 16 16 CYS H H 16 9.300 9.300 9.168 0.132 18375 8571 1 15 . 1 1 17 17 THR N N 17 113.910 113.910 112.293 1.617 18375 8572 1 15 . 1 1 17 17 THR HA H 17 3.180 3.180 4.292 -1.112 18375 8573 1 15 . 1 1 17 17 THR C C 17 174.260 174.260 174.786 -0.526 18375 8574 1 15 . 1 1 17 17 THR CA C 17 62.800 62.800 63.836 -1.036 18375 8575 1 15 . 1 1 17 17 THR CB C 17 69.000 69.000 67.924 1.076 18375 8576 1 15 . 1 1 17 17 THR H H 17 7.300 7.300 8.313 -1.013 18375 8577 1 15 . 1 1 18 18 TRP N N 18 123.650 123.650 123.361 0.289 18375 8578 1 15 . 1 1 18 18 TRP HA H 18 4.380 4.380 4.609 -0.229 18375 8579 1 15 . 1 1 18 18 TRP C C 18 177.910 177.910 177.321 0.589 18375 8580 1 15 . 1 1 18 18 TRP CA C 18 61.600 61.600 60.272 1.328 18375 8581 1 15 . 1 1 18 18 TRP CB C 18 31.320 31.320 30.605 0.715 18375 8582 1 15 . 1 1 18 18 TRP H H 18 6.640 6.640 7.288 -0.648 18375 8583 1 15 . 1 1 19 19 TYR N N 19 115.660 115.660 121.015 -5.355 18375 8584 1 15 . 1 1 19 19 TYR HA H 19 4.120 4.120 4.071 0.049 18375 8585 1 15 . 1 1 19 19 TYR C C 19 177.170 177.170 177.468 -0.298 18375 8586 1 15 . 1 1 19 19 TYR CA C 19 61.370 61.370 61.510 -0.140 18375 8587 1 15 . 1 1 19 19 TYR CB C 19 42.110 42.110 38.555 3.555 18375 8588 1 15 . 1 1 19 19 TYR H H 19 7.680 7.680 9.249 -1.569 18375 8589 1 15 . 1 1 20 20 VAL N N 20 116.740 116.740 119.056 -2.316 18375 8590 1 15 . 1 1 20 20 VAL HA H 20 3.030 3.030 3.516 -0.486 18375 8591 1 15 . 1 1 20 20 VAL C C 20 176.410 176.410 177.694 -1.284 18375 8592 1 15 . 1 1 20 20 VAL CA C 20 68.360 68.360 67.953 0.408 18375 8593 1 15 . 1 1 20 20 VAL CB C 20 32.210 32.210 31.713 0.497 18375 8594 1 15 . 1 1 20 20 VAL H H 20 7.450 7.450 8.370 -0.920 18375 8595 1 15 . 1 1 21 21 TYR N N 21 118.550 118.550 119.281 -0.731 18375 8596 1 15 . 1 1 21 21 TYR HA H 21 3.560 3.560 4.331 -0.771 18375 8597 1 15 . 1 1 21 21 TYR C C 21 176.490 176.490 177.068 -0.578 18375 8598 1 15 . 1 1 21 21 TYR CA C 21 63.990 63.990 60.703 3.287 18375 8599 1 15 . 1 1 21 21 TYR CB C 21 38.970 38.970 38.502 0.468 18375 8600 1 15 . 1 1 21 21 TYR H H 21 8.370 8.370 7.951 0.419 18375 8601 1 15 . 1 1 22 22 ASP N N 22 115.760 115.760 119.444 -3.684 18375 8602 1 15 . 1 1 22 22 ASP HA H 22 4.260 4.260 3.984 0.276 18375 8603 1 15 . 1 1 22 22 ASP C C 22 169.690 169.690 178.001 -8.311 18375 8604 1 15 . 1 1 22 22 ASP CA C 22 58.010 58.010 57.104 0.906 18375 8605 1 15 . 1 1 22 22 ASP CB C 22 41.770 41.770 40.498 1.272 18375 8606 1 15 . 1 1 22 22 ASP H H 22 6.880 6.880 7.727 -0.847 18375 8607 1 15 . 1 1 23 23 LYS N N 23 121.790 121.790 117.640 4.150 18375 8608 1 15 . 1 1 23 23 LYS HA H 23 3.610 3.610 3.766 -0.156 18375 8609 1 15 . 1 1 23 23 LYS C C 23 178.360 178.360 179.100 -0.740 18375 8610 1 15 . 1 1 23 23 LYS CA C 23 57.990 57.990 57.745 0.245 18375 8611 1 15 . 1 1 23 23 LYS CB C 23 31.350 31.350 31.567 -0.217 18375 8612 1 15 . 1 1 23 23 LYS H H 23 7.820 7.820 7.895 -0.075 18375 8613 1 15 . 1 1 24 24 VAL N N 24 108.790 108.790 111.743 -2.953 18375 8614 1 15 . 1 1 24 24 VAL HA H 24 4.390 4.390 4.052 0.338 18375 8615 1 15 . 1 1 24 24 VAL C C 24 176.840 176.840 176.089 0.751 18375 8616 1 15 . 1 1 24 24 VAL CA C 24 61.430 61.430 61.852 -0.423 18375 8617 1 15 . 1 1 24 24 VAL CB C 24 31.690 31.690 31.167 0.523 18375 8618 1 15 . 1 1 24 24 VAL H H 24 7.590 7.590 7.452 0.138 18375 8619 1 15 . 1 1 25 25 GLY N N 25 110.620 110.620 108.008 2.612 18375 8620 1 15 . 1 1 25 25 GLY C C 25 175.510 175.510 175.028 0.482 18375 8621 1 15 . 1 1 25 25 GLY CA C 25 47.110 47.110 45.345 1.765 18375 8622 1 15 . 1 1 25 25 GLY H H 25 7.680 7.680 7.470 0.210 18375 8623 1 15 . 1 1 26 26 GLY N N 26 122.410 122.410 106.417 15.993 18375 8624 1 15 . 1 1 26 26 GLY C C 26 174.470 174.470 174.460 0.010 18375 8625 1 15 . 1 1 26 26 GLY CA C 26 46.440 46.440 44.554 1.886 18375 8626 1 15 . 1 1 26 26 GLY H H 26 7.870 7.870 7.544 0.326 18375 8627 1 15 . 1 1 27 27 GLU N N 27 116.720 116.720 119.525 -2.805 18375 8628 1 15 . 1 1 27 27 GLU HA H 27 4.150 4.150 4.017 0.133 18375 8629 1 15 . 1 1 27 27 GLU C C 27 175.810 175.810 175.973 -0.163 18375 8630 1 15 . 1 1 27 27 GLU CA C 27 58.110 58.110 58.313 -0.203 18375 8631 1 15 . 1 1 27 27 GLU CB C 27 30.500 30.500 30.160 0.340 18375 8632 1 15 . 1 1 27 27 GLU H H 27 6.650 6.650 7.633 -0.983 18375 8633 1 15 . 1 1 28 28 ILE N N 28 125.210 125.210 115.895 9.315 18375 8634 1 15 . 1 1 28 28 ILE HA H 28 4.040 4.040 4.171 -0.131 18375 8635 1 15 . 1 1 28 28 ILE CA C 28 60.160 60.160 59.923 0.237 18375 8636 1 15 . 1 1 28 28 ILE CB C 28 40.940 40.940 39.481 1.459 18375 8637 1 15 . 1 1 28 28 ILE H H 28 6.330 6.330 7.527 -1.197 18375 8638 1 15 . 1 1 29 29 GLY C C 29 174.050 174.050 174.375 -0.325 18375 8639 1 15 . 1 1 29 29 GLY CA C 29 46.190 46.190 44.731 1.459 18375 8640 1 15 . 1 1 30 30 SER N N 30 115.530 115.530 113.494 2.036 18375 8641 1 15 . 1 1 30 30 SER HA H 30 4.140 4.140 3.407 0.733 18375 8642 1 15 . 1 1 30 30 SER C C 30 174.000 174.000 174.479 -0.479 18375 8643 1 15 . 1 1 30 30 SER CA C 30 60.180 60.180 60.547 -0.367 18375 8644 1 15 . 1 1 30 30 SER CB C 30 65.150 65.150 61.138 4.012 18375 8645 1 15 . 1 1 30 30 SER H H 30 8.540 8.540 7.101 1.439 18375 8646 1 15 . 1 1 31 31 THR N N 31 124.440 124.440 114.253 10.187 18375 8647 1 15 . 1 1 31 31 THR HA H 31 4.460 4.460 4.360 0.100 18375 8648 1 15 . 1 1 31 31 THR C C 31 175.390 175.390 174.297 1.093 18375 8649 1 15 . 1 1 31 31 THR CA C 31 61.350 61.350 62.264 -0.914 18375 8650 1 15 . 1 1 31 31 THR CB C 31 69.190 69.190 68.787 0.403 18375 8651 1 15 . 1 1 31 31 THR H H 31 7.070 7.070 8.108 -1.038 18375 8652 1 15 . 1 1 32 32 TRP N N 32 121.120 121.120 119.158 1.962 18375 8653 1 15 . 1 1 32 32 TRP HA H 32 4.470 4.470 4.576 -0.106 18375 8654 1 15 . 1 1 32 32 TRP C C 32 175.720 175.720 176.231 -0.511 18375 8655 1 15 . 1 1 32 32 TRP CA C 32 57.500 57.500 54.850 2.650 18375 8656 1 15 . 1 1 32 32 TRP CB C 32 28.670 28.670 28.303 0.367 18375 8657 1 15 . 1 1 32 32 TRP H H 32 7.750 7.750 7.049 0.701 18375 8658 1 15 . 1 1 33 33 GLY N N 33 125.330 125.330 109.618 15.712 18375 8659 1 15 . 1 1 33 33 GLY C C 33 175.520 175.520 173.862 1.658 18375 8660 1 15 . 1 1 33 33 GLY CA C 33 46.390 46.390 45.767 0.623 18375 8661 1 15 . 1 1 33 33 GLY H H 33 8.580 8.580 7.691 0.889 18375 8662 1 15 . 1 1 34 34 ASN N N 34 118.870 118.870 121.442 -2.572 18375 8663 1 15 . 1 1 34 34 ASN HA H 34 4.720 4.720 5.467 -0.747 18375 8664 1 15 . 1 1 34 34 ASN C C 34 175.710 175.710 177.001 -1.291 18375 8665 1 15 . 1 1 34 34 ASN CA C 34 54.630 54.630 51.757 2.873 18375 8666 1 15 . 1 1 34 34 ASN CB C 34 40.050 40.050 41.133 -1.083 18375 8667 1 15 . 1 1 34 34 ASN H H 34 8.780 8.780 8.508 0.272 18375 8668 1 15 . 1 1 35 35 ALA N N 35 121.960 121.960 123.543 -1.583 18375 8669 1 15 . 1 1 35 35 ALA HA H 35 2.920 2.920 3.479 -0.559 18375 8670 1 15 . 1 1 35 35 ALA C C 35 169.710 169.710 179.144 -9.434 18375 8671 1 15 . 1 1 35 35 ALA CA C 35 55.950 55.950 55.450 0.500 18375 8672 1 15 . 1 1 35 35 ALA CB C 35 20.460 20.460 18.130 2.330 18375 8673 1 15 . 1 1 35 35 ALA H H 35 8.750 8.750 8.902 -0.152 18375 8674 1 15 . 1 1 36 36 ASN N N 36 114.940 114.940 115.274 -0.334 18375 8675 1 15 . 1 1 36 36 ASN HA H 36 4.170 4.170 4.497 -0.327 18375 8676 1 15 . 1 1 36 36 ASN C C 36 175.200 175.200 175.803 -0.603 18375 8677 1 15 . 1 1 36 36 ASN CA C 36 55.930 55.930 54.843 1.087 18375 8678 1 15 . 1 1 36 36 ASN CB C 36 36.690 36.690 38.780 -2.090 18375 8679 1 15 . 1 1 36 36 ASN H H 36 8.410 8.410 8.375 0.035 18375 8680 1 15 . 1 1 37 37 ASN N N 37 120.180 120.180 117.200 2.980 18375 8681 1 15 . 1 1 37 37 ASN HA H 37 5.060 5.060 4.877 0.183 18375 8682 1 15 . 1 1 37 37 ASN C C 37 176.530 176.530 176.590 -0.060 18375 8683 1 15 . 1 1 37 37 ASN CA C 37 54.250 54.250 52.712 1.538 18375 8684 1 15 . 1 1 37 37 ASN CB C 37 41.720 41.720 38.858 2.862 18375 8685 1 15 . 1 1 37 37 ASN H H 37 8.850 8.850 7.728 1.122 18375 8686 1 15 . 1 1 38 38 TRP N N 38 118.410 118.410 123.359 -4.949 18375 8687 1 15 . 1 1 38 38 TRP HA H 38 4.190 4.190 4.534 -0.344 18375 8688 1 15 . 1 1 38 38 TRP C C 38 177.390 177.390 178.256 -0.866 18375 8689 1 15 . 1 1 38 38 TRP CA C 38 63.450 63.450 62.347 1.103 18375 8690 1 15 . 1 1 38 38 TRP CB C 38 29.680 29.680 28.796 0.884 18375 8691 1 15 . 1 1 38 38 TRP H H 38 8.240 8.240 7.921 0.319 18375 8692 1 15 . 1 1 39 39 ALA N N 39 118.400 118.400 119.347 -0.947 18375 8693 1 15 . 1 1 39 39 ALA HA H 39 3.770 3.770 4.097 -0.327 18375 8694 1 15 . 1 1 39 39 ALA C C 39 178.580 178.580 179.522 -0.942 18375 8695 1 15 . 1 1 39 39 ALA CA C 39 56.760 56.760 55.223 1.537 18375 8696 1 15 . 1 1 39 39 ALA CB C 39 18.020 18.020 17.604 0.416 18375 8697 1 15 . 1 1 39 39 ALA H H 39 7.150 7.150 8.874 -1.724 18375 8698 1 15 . 1 1 40 40 ALA N N 40 121.830 121.830 121.271 0.559 18375 8699 1 15 . 1 1 40 40 ALA HA H 40 3.990 3.990 4.176 -0.186 18375 8700 1 15 . 1 1 40 40 ALA C C 40 171.320 171.320 179.416 -8.096 18375 8701 1 15 . 1 1 40 40 ALA CA C 40 55.610 55.610 54.326 1.284 18375 8702 1 15 . 1 1 40 40 ALA CB C 40 18.840 18.840 18.500 0.340 18375 8703 1 15 . 1 1 40 40 ALA H H 40 8.060 8.060 7.832 0.228 18375 8704 1 15 . 1 1 41 41 ALA N N 41 122.200 122.200 120.731 1.469 18375 8705 1 15 . 1 1 41 41 ALA HA H 41 3.630 3.630 4.091 -0.461 18375 8706 1 15 . 1 1 41 41 ALA C C 41 170.110 170.110 179.374 -9.264 18375 8707 1 15 . 1 1 41 41 ALA CA C 41 55.240 55.240 54.540 0.700 18375 8708 1 15 . 1 1 41 41 ALA CB C 41 18.020 18.020 18.600 -0.580 18375 8709 1 15 . 1 1 41 41 ALA H H 41 8.250 8.250 8.467 -0.217 18375 8710 1 15 . 1 1 42 42 ALA N N 42 119.600 119.600 120.705 -1.105 18375 8711 1 15 . 1 1 42 42 ALA HA H 42 3.270 3.270 3.327 -0.057 18375 8712 1 15 . 1 1 42 42 ALA C C 42 170.160 170.160 179.046 -8.886 18375 8713 1 15 . 1 1 42 42 ALA CA C 42 55.480 55.480 55.019 0.461 18375 8714 1 15 . 1 1 42 42 ALA CB C 42 19.890 19.890 18.226 1.664 18375 8715 1 15 . 1 1 42 42 ALA H H 42 7.710 7.710 8.792 -1.082 18375 8716 1 15 . 1 1 43 43 GLN N N 43 118.750 118.750 118.395 0.355 18375 8717 1 15 . 1 1 43 43 GLN HA H 43 4.340 4.340 4.029 0.311 18375 8718 1 15 . 1 1 43 43 GLN C C 43 170.980 170.980 178.913 -7.933 18375 8719 1 15 . 1 1 43 43 GLN CA C 43 60.200 60.200 58.722 1.478 18375 8720 1 15 . 1 1 43 43 GLN CB C 43 29.710 29.710 28.610 1.100 18375 8721 1 15 . 1 1 43 43 GLN H H 43 7.880 7.880 7.765 0.115 18375 8722 1 15 . 1 1 44 44 GLY N N 44 125.760 125.760 105.809 19.951 18375 8723 1 15 . 1 1 44 44 GLY C C 44 174.300 174.300 175.459 -1.159 18375 8724 1 15 . 1 1 44 44 GLY CA C 44 47.660 47.660 45.688 1.972 18375 8725 1 15 . 1 1 44 44 GLY H H 44 8.010 8.010 7.462 0.548 18375 8726 1 15 . 1 1 45 45 ALA N N 45 121.480 121.480 123.084 -1.604 18375 8727 1 15 . 1 1 45 45 ALA HA H 45 4.620 4.620 4.168 0.452 18375 8728 1 15 . 1 1 45 45 ALA C C 45 177.190 177.190 177.570 -0.380 18375 8729 1 15 . 1 1 45 45 ALA CA C 45 52.680 52.680 52.019 0.661 18375 8730 1 15 . 1 1 45 45 ALA CB C 45 20.560 20.560 18.639 1.921 18375 8731 1 15 . 1 1 45 45 ALA H H 45 7.540 7.540 7.692 -0.152 18375 8732 1 15 . 1 1 46 46 GLY N N 46 123.690 123.690 106.292 17.398 18375 8733 1 15 . 1 1 46 46 GLY C C 46 174.980 174.980 174.333 0.647 18375 8734 1 15 . 1 1 46 46 GLY CA C 46 46.540 46.540 44.731 1.809 18375 8735 1 15 . 1 1 46 46 GLY H H 46 7.680 7.680 7.213 0.467 18375 8736 1 15 . 1 1 47 47 PHE N N 47 119.960 119.960 119.144 0.816 18375 8737 1 15 . 1 1 47 47 PHE HA H 47 4.620 4.620 4.986 -0.366 18375 8738 1 15 . 1 1 47 47 PHE C C 47 176.120 176.120 175.806 0.314 18375 8739 1 15 . 1 1 47 47 PHE CA C 47 59.000 59.000 53.963 5.037 18375 8740 1 15 . 1 1 47 47 PHE CB C 47 40.350 40.350 40.611 -0.261 18375 8741 1 15 . 1 1 47 47 PHE H H 47 8.280 8.280 7.962 0.318 18375 8742 1 15 . 1 1 48 48 THR N N 48 120.680 120.680 120.164 0.516 18375 8743 1 15 . 1 1 48 48 THR HA H 48 4.190 4.190 4.537 -0.347 18375 8744 1 15 . 1 1 48 48 THR C C 48 173.000 173.000 173.648 -0.648 18375 8745 1 15 . 1 1 48 48 THR CA C 48 65.150 65.150 62.446 2.704 18375 8746 1 15 . 1 1 48 48 THR CB C 48 70.530 70.530 69.056 1.474 18375 8747 1 15 . 1 1 48 48 THR H H 48 9.260 9.260 8.900 0.360 18375 8748 1 15 . 1 1 49 49 VAL N N 49 111.320 111.320 126.106 -14.786 18375 8749 1 15 . 1 1 49 49 VAL HA H 49 5.380 5.380 5.169 0.211 18375 8750 1 15 . 1 1 49 49 VAL C C 49 175.570 175.570 174.626 0.944 18375 8751 1 15 . 1 1 49 49 VAL CA C 49 61.510 61.510 60.799 0.711 18375 8752 1 15 . 1 1 49 49 VAL CB C 49 34.960 34.960 33.299 1.661 18375 8753 1 15 . 1 1 49 49 VAL H H 49 8.560 8.560 8.521 0.039 18375 8754 1 15 . 1 1 50 50 ASN N N 50 125.000 125.000 126.736 -1.736 18375 8755 1 15 . 1 1 50 50 ASN HA H 50 4.800 4.800 4.938 -0.138 18375 8756 1 15 . 1 1 50 50 ASN C C 50 174.270 174.270 173.707 0.563 18375 8757 1 15 . 1 1 50 50 ASN CA C 50 53.430 53.430 52.107 1.323 18375 8758 1 15 . 1 1 50 50 ASN CB C 50 39.100 39.100 41.700 -2.600 18375 8759 1 15 . 1 1 50 50 ASN H H 50 9.010 9.010 8.931 0.079 18375 8760 1 15 . 1 1 51 51 HIS N N 51 114.650 114.650 115.233 -0.583 18375 8761 1 15 . 1 1 51 51 HIS HA H 51 5.760 5.760 5.060 0.700 18375 8762 1 15 . 1 1 51 51 HIS C C 51 174.060 174.060 173.331 0.729 18375 8763 1 15 . 1 1 51 51 HIS CA C 51 56.360 56.360 55.631 0.729 18375 8764 1 15 . 1 1 51 51 HIS CB C 51 29.980 29.980 30.174 -0.194 18375 8765 1 15 . 1 1 51 51 HIS H H 51 8.550 8.550 8.321 0.229 18375 8766 1 15 . 1 1 52 52 THR N N 52 119.910 119.910 118.374 1.536 18375 8767 1 15 . 1 1 52 52 THR HA H 52 4.600 4.600 4.502 0.098 18375 8768 1 15 . 1 1 52 52 THR CA C 52 60.140 60.140 60.508 -0.368 18375 8769 1 15 . 1 1 52 52 THR CB C 52 71.890 71.890 70.540 1.351 18375 8770 1 15 . 1 1 52 52 THR H H 52 8.500 8.500 7.254 1.246 18375 8771 1 15 . 1 1 53 53 PRO HA H 53 2.920 2.920 4.314 -1.394 18375 8772 1 15 . 1 1 53 53 PRO C C 53 175.410 175.410 175.453 -0.043 18375 8773 1 15 . 1 1 53 53 PRO CA C 53 62.460 62.460 63.171 -0.711 18375 8774 1 15 . 1 1 53 53 PRO CB C 53 33.410 33.410 32.163 1.247 18375 8775 1 15 . 1 1 54 54 SER N N 54 108.990 108.990 116.004 -7.014 18375 8776 1 15 . 1 1 54 54 SER HA H 54 4.300 4.300 4.666 -0.366 18375 8777 1 15 . 1 1 54 54 SER C C 54 172.380 172.380 173.085 -0.705 18375 8778 1 15 . 1 1 54 54 SER CA C 54 58.270 58.270 57.048 1.222 18375 8779 1 15 . 1 1 54 54 SER CB C 54 66.620 66.620 66.657 -0.037 18375 8780 1 15 . 1 1 54 54 SER H H 54 6.000 6.000 7.699 -1.699 18375 8781 1 15 . 1 1 55 55 LYS N N 55 124.470 124.470 120.797 3.673 18375 8782 1 15 . 1 1 55 55 LYS HA H 55 3.500 3.500 4.074 -0.574 18375 8783 1 15 . 1 1 55 55 LYS C C 55 177.150 177.150 177.777 -0.627 18375 8784 1 15 . 1 1 55 55 LYS CA C 55 59.850 59.850 57.275 2.575 18375 8785 1 15 . 1 1 55 55 LYS CB C 55 33.010 33.010 32.303 0.707 18375 8786 1 15 . 1 1 55 55 LYS H H 55 8.860 8.860 8.515 0.345 18375 8787 1 15 . 1 1 56 56 GLY N N 56 116.710 116.710 112.979 3.731 18375 8788 1 15 . 1 1 56 56 GLY C C 56 173.430 173.430 173.615 -0.185 18375 8789 1 15 . 1 1 56 56 GLY CA C 56 45.600 45.600 45.017 0.583 18375 8790 1 15 . 1 1 56 56 GLY H H 56 8.950 8.950 8.609 0.341 18375 8791 1 15 . 1 1 57 57 ALA N N 57 118.940 118.940 121.743 -2.803 18375 8792 1 15 . 1 1 57 57 ALA HA H 57 4.630 4.630 4.581 0.049 18375 8793 1 15 . 1 1 57 57 ALA C C 57 174.570 174.570 175.238 -0.668 18375 8794 1 15 . 1 1 57 57 ALA CA C 57 51.840 51.840 50.381 1.459 18375 8795 1 15 . 1 1 57 57 ALA CB C 57 20.960 20.960 21.712 -0.752 18375 8796 1 15 . 1 1 57 57 ALA H H 57 7.420 7.420 7.419 0.001 18375 8797 1 15 . 1 1 58 58 ILE N N 58 117.340 117.340 116.629 0.711 18375 8798 1 15 . 1 1 58 58 ILE HA H 58 4.720 4.720 4.676 0.044 18375 8799 1 15 . 1 1 58 58 ILE C C 58 176.920 176.920 174.522 2.398 18375 8800 1 15 . 1 1 58 58 ILE CA C 58 60.910 60.910 60.364 0.546 18375 8801 1 15 . 1 1 58 58 ILE CB C 58 41.820 41.820 42.361 -0.541 18375 8802 1 15 . 1 1 58 58 ILE H H 58 8.350 8.350 8.496 -0.146 18375 8803 1 15 . 1 1 59 59 LEU N N 59 112.330 112.330 123.683 -11.353 18375 8804 1 15 . 1 1 59 59 LEU HA H 59 4.220 4.220 4.531 -0.311 18375 8805 1 15 . 1 1 59 59 LEU C C 59 174.530 174.530 175.259 -0.729 18375 8806 1 15 . 1 1 59 59 LEU CA C 59 56.430 56.430 54.084 2.346 18375 8807 1 15 . 1 1 59 59 LEU CB C 59 44.160 44.160 44.328 -0.168 18375 8808 1 15 . 1 1 59 59 LEU H H 59 8.430 8.430 8.828 -0.398 18375 8809 1 15 . 1 1 60 60 GLN N N 60 111.170 111.170 120.969 -9.799 18375 8810 1 15 . 1 1 60 60 GLN HA H 60 4.970 4.970 5.034 -0.064 18375 8811 1 15 . 1 1 60 60 GLN C C 60 172.980 172.980 173.887 -0.907 18375 8812 1 15 . 1 1 60 60 GLN CA C 60 56.720 56.720 54.837 1.883 18375 8813 1 15 . 1 1 60 60 GLN CB C 60 30.950 30.950 32.223 -1.273 18375 8814 1 15 . 1 1 60 60 GLN H H 60 9.490 9.490 8.393 1.097 18375 8815 1 15 . 1 1 61 61 SER N N 61 118.550 118.550 117.912 0.638 18375 8816 1 15 . 1 1 61 61 SER HA H 61 4.940 4.940 4.850 0.090 18375 8817 1 15 . 1 1 61 61 SER C C 61 174.370 174.370 172.607 1.763 18375 8818 1 15 . 1 1 61 61 SER CA C 61 56.570 56.570 57.302 -0.732 18375 8819 1 15 . 1 1 61 61 SER CB C 61 67.130 67.130 64.873 2.257 18375 8820 1 15 . 1 1 61 61 SER H H 61 8.800 8.800 8.114 0.686 18375 8821 1 15 . 1 1 62 62 SER N N 62 120.910 120.910 122.073 -1.163 18375 8822 1 15 . 1 1 62 62 SER HA H 62 4.540 4.540 4.734 -0.194 18375 8823 1 15 . 1 1 62 62 SER C C 62 173.560 173.560 174.066 -0.506 18375 8824 1 15 . 1 1 62 62 SER CA C 62 59.270 59.270 58.241 1.029 18375 8825 1 15 . 1 1 62 62 SER CB C 62 64.390 64.390 63.284 1.106 18375 8826 1 15 . 1 1 62 62 SER H H 62 8.900 8.900 8.930 -0.030 18375 8827 1 15 . 1 1 63 63 GLU N N 63 121.810 121.810 124.411 -2.601 18375 8828 1 15 . 1 1 63 63 GLU HA H 63 4.220 4.220 4.449 -0.229 18375 8829 1 15 . 1 1 63 63 GLU C C 63 176.030 176.030 176.889 -0.859 18375 8830 1 15 . 1 1 63 63 GLU CA C 63 57.840 57.840 56.840 1.000 18375 8831 1 15 . 1 1 63 63 GLU CB C 63 32.170 32.170 29.985 2.185 18375 8832 1 15 . 1 1 63 63 GLU H H 63 8.040 8.040 8.735 -0.695 18375 8833 1 15 . 1 1 64 64 GLY N N 64 125.900 125.900 108.925 16.975 18375 8834 1 15 . 1 1 64 64 GLY CA C 64 45.490 45.490 44.932 0.558 18375 8835 1 15 . 1 1 64 64 GLY H H 64 8.200 8.200 7.889 0.311 18375 8836 1 15 . 1 1 65 65 PRO HA H 65 4.040 4.040 4.362 -0.322 18375 8837 1 15 . 1 1 65 65 PRO C C 65 177.870 177.870 176.812 1.058 18375 8838 1 15 . 1 1 65 65 PRO CA C 65 65.610 65.610 65.291 0.319 18375 8839 1 15 . 1 1 65 65 PRO CB C 65 32.160 32.160 31.954 0.206 18375 8840 1 15 . 1 1 66 66 PHE N N 66 112.970 112.970 113.572 -0.602 18375 8841 1 15 . 1 1 66 66 PHE HA H 66 4.920 4.920 4.833 0.087 18375 8842 1 15 . 1 1 66 66 PHE C C 66 176.190 176.190 174.522 1.668 18375 8843 1 15 . 1 1 66 66 PHE CA C 66 57.420 57.420 55.795 1.625 18375 8844 1 15 . 1 1 66 66 PHE CB C 66 42.360 42.360 39.818 2.542 18375 8845 1 15 . 1 1 66 66 PHE H H 66 8.490 8.490 8.123 0.367 18375 8846 1 15 . 1 1 67 67 GLY N N 67 124.370 124.370 109.035 15.335 18375 8847 1 15 . 1 1 67 67 GLY C C 67 172.480 172.480 172.643 -0.163 18375 8848 1 15 . 1 1 67 67 GLY CA C 67 46.860 46.860 44.446 2.414 18375 8849 1 15 . 1 1 67 67 GLY H H 67 6.940 6.940 7.631 -0.691 18375 8850 1 15 . 1 1 68 68 HIS N N 68 117.820 117.820 118.966 -1.146 18375 8851 1 15 . 1 1 68 68 HIS HA H 68 5.020 5.020 4.997 0.023 18375 8852 1 15 . 1 1 68 68 HIS C C 68 173.790 173.790 173.416 0.374 18375 8853 1 15 . 1 1 68 68 HIS CA C 68 58.230 58.230 54.610 3.620 18375 8854 1 15 . 1 1 68 68 HIS CB C 68 36.120 36.120 31.264 4.856 18375 8855 1 15 . 1 1 68 68 HIS H H 68 8.590 8.590 8.226 0.364 18375 8856 1 15 . 1 1 69 69 VAL N N 69 116.830 116.830 121.533 -4.703 18375 8857 1 15 . 1 1 69 69 VAL HA H 69 5.320 5.320 4.677 0.643 18375 8858 1 15 . 1 1 69 69 VAL C C 69 173.060 173.060 173.594 -0.534 18375 8859 1 15 . 1 1 69 69 VAL CA C 69 58.940 58.940 59.474 -0.534 18375 8860 1 15 . 1 1 69 69 VAL CB C 69 37.700 37.700 33.374 4.326 18375 8861 1 15 . 1 1 69 69 VAL H H 69 6.040 6.040 7.808 -1.768 18375 8862 1 15 . 1 1 70 70 ALA N N 70 120.820 120.820 128.655 -7.835 18375 8863 1 15 . 1 1 70 70 ALA HA H 70 4.510 4.510 4.634 -0.124 18375 8864 1 15 . 1 1 70 70 ALA C C 70 173.870 173.870 175.825 -1.955 18375 8865 1 15 . 1 1 70 70 ALA CA C 70 51.560 51.560 50.246 1.314 18375 8866 1 15 . 1 1 70 70 ALA CB C 70 26.390 26.390 21.529 4.861 18375 8867 1 15 . 1 1 70 70 ALA H H 70 8.890 8.890 8.081 0.809 18375 8868 1 15 . 1 1 71 71 TYR N N 71 121.640 121.640 127.315 -5.675 18375 8869 1 15 . 1 1 71 71 TYR HA H 71 4.890 4.890 4.442 0.448 18375 8870 1 15 . 1 1 71 71 TYR C C 71 174.620 174.620 174.477 0.143 18375 8871 1 15 . 1 1 71 71 TYR CA C 71 58.140 58.140 58.444 -0.304 18375 8872 1 15 . 1 1 71 71 TYR CB C 71 42.850 42.850 39.099 3.751 18375 8873 1 15 . 1 1 71 71 TYR H H 71 9.310 9.310 8.334 0.976 18375 8874 1 15 . 1 1 72 72 VAL N N 72 126.010 126.010 128.678 -2.668 18375 8875 1 15 . 1 1 72 72 VAL HA H 72 3.880 3.880 3.793 0.087 18375 8876 1 15 . 1 1 72 72 VAL C C 72 174.250 174.250 175.345 -1.095 18375 8877 1 15 . 1 1 72 72 VAL CA C 72 64.970 64.970 62.962 2.008 18375 8878 1 15 . 1 1 72 72 VAL CB C 72 31.470 31.470 31.486 -0.017 18375 8879 1 15 . 1 1 72 72 VAL H H 72 8.230 8.230 8.748 -0.518 18375 8880 1 15 . 1 1 73 73 GLU N N 73 112.690 112.690 129.613 -16.923 18375 8881 1 15 . 1 1 73 73 GLU HA H 73 4.250 4.250 4.396 -0.146 18375 8882 1 15 . 1 1 73 73 GLU C C 73 178.020 178.020 176.115 1.905 18375 8883 1 15 . 1 1 73 73 GLU CA C 73 58.400 58.400 57.814 0.586 18375 8884 1 15 . 1 1 73 73 GLU CB C 73 31.050 31.050 30.755 0.295 18375 8885 1 15 . 1 1 73 73 GLU H H 73 8.820 8.820 8.702 0.118 18375 8886 1 15 . 1 1 74 74 SER N N 74 125.880 125.880 112.007 13.873 18375 8887 1 15 . 1 1 74 74 SER HA H 74 4.330 4.330 4.490 -0.160 18375 8888 1 15 . 1 1 74 74 SER C C 74 172.030 172.030 172.069 -0.039 18375 8889 1 15 . 1 1 74 74 SER CA C 74 59.220 59.220 57.920 1.300 18375 8890 1 15 . 1 1 74 74 SER CB C 74 65.620 65.620 65.462 0.158 18375 8891 1 15 . 1 1 74 74 SER H H 74 7.900 7.900 7.861 0.039 18375 8892 1 15 . 1 1 75 75 VAL N N 75 122.760 122.760 122.076 0.684 18375 8893 1 15 . 1 1 75 75 VAL HA H 75 4.320 4.320 4.262 0.058 18375 8894 1 15 . 1 1 75 75 VAL C C 75 176.270 176.270 174.878 1.392 18375 8895 1 15 . 1 1 75 75 VAL CA C 75 63.380 63.380 60.609 2.771 18375 8896 1 15 . 1 1 75 75 VAL CB C 75 32.750 32.750 33.501 -0.751 18375 8897 1 15 . 1 1 75 75 VAL H H 75 8.400 8.400 8.454 -0.054 18375 8898 1 15 . 1 1 76 76 ASN N N 76 125.270 125.270 128.019 -2.749 18375 8899 1 15 . 1 1 76 76 ASN HA H 76 4.790 4.790 4.777 0.013 18375 8900 1 15 . 1 1 76 76 ASN CA C 76 54.260 54.260 52.852 1.408 18375 8901 1 15 . 1 1 76 76 ASN CB C 76 39.960 39.960 39.169 0.791 18375 8902 1 15 . 1 1 76 76 ASN H H 76 9.080 9.080 8.852 0.228 18375 8903 1 15 . 1 1 77 77 SER HA H 77 4.130 4.130 4.397 -0.267 18375 8904 1 15 . 1 1 77 77 SER C C 77 174.410 174.410 174.598 -0.188 18375 8905 1 15 . 1 1 77 77 SER CA C 77 62.670 62.670 59.992 2.678 18375 8906 1 15 . 1 1 77 77 SER CB C 77 63.600 63.600 62.911 0.689 18375 8907 1 15 . 1 1 78 78 ASP N N 78 118.590 118.590 120.259 -1.669 18375 8908 1 15 . 1 1 78 78 ASP HA H 78 4.580 4.580 4.745 -0.165 18375 8909 1 15 . 1 1 78 78 ASP C C 78 176.790 176.790 176.617 0.173 18375 8910 1 15 . 1 1 78 78 ASP CA C 78 53.960 53.960 54.014 -0.054 18375 8911 1 15 . 1 1 78 78 ASP CB C 78 40.880 40.880 40.663 0.217 18375 8912 1 15 . 1 1 78 78 ASP H H 78 7.980 7.980 8.238 -0.258 18375 8913 1 15 . 1 1 79 79 GLY N N 79 109.220 109.220 106.545 2.675 18375 8914 1 15 . 1 1 79 79 GLY C C 79 173.470 173.470 173.059 0.411 18375 8915 1 15 . 1 1 79 79 GLY CA C 79 46.050 46.050 45.201 0.849 18375 8916 1 15 . 1 1 79 79 GLY H H 79 8.180 8.180 7.835 0.345 18375 8917 1 15 . 1 1 80 80 SER N N 80 114.200 114.200 114.672 -0.472 18375 8918 1 15 . 1 1 80 80 SER HA H 80 4.350 4.350 5.280 -0.930 18375 8919 1 15 . 1 1 80 80 SER C C 80 172.630 172.630 173.879 -1.249 18375 8920 1 15 . 1 1 80 80 SER CA C 80 59.580 59.580 56.734 2.845 18375 8921 1 15 . 1 1 80 80 SER CB C 80 65.710 65.710 65.806 -0.096 18375 8922 1 15 . 1 1 80 80 SER H H 80 7.930 7.930 7.540 0.390 18375 8923 1 15 . 1 1 81 81 VAL N N 81 118.060 118.060 123.156 -5.096 18375 8924 1 15 . 1 1 81 81 VAL HA H 81 4.690 4.690 4.301 0.389 18375 8925 1 15 . 1 1 81 81 VAL C C 81 175.220 175.220 175.472 -0.252 18375 8926 1 15 . 1 1 81 81 VAL CA C 81 61.980 61.980 61.109 0.871 18375 8927 1 15 . 1 1 81 81 VAL CB C 81 36.810 36.810 33.872 2.938 18375 8928 1 15 . 1 1 81 81 VAL H H 81 8.820 8.820 9.105 -0.285 18375 8929 1 15 . 1 1 82 82 THR N N 82 125.170 125.170 125.160 0.010 18375 8930 1 15 . 1 1 82 82 THR HA H 82 5.190 5.190 4.627 0.563 18375 8931 1 15 . 1 1 82 82 THR C C 82 174.150 174.150 174.087 0.063 18375 8932 1 15 . 1 1 82 82 THR CA C 82 63.440 63.440 62.753 0.687 18375 8933 1 15 . 1 1 82 82 THR CB C 82 70.520 70.520 68.500 2.020 18375 8934 1 15 . 1 1 82 82 THR H H 82 9.020 9.020 8.728 0.292 18375 8935 1 15 . 1 1 83 83 ILE N N 83 120.970 120.970 123.780 -2.810 18375 8936 1 15 . 1 1 83 83 ILE HA H 83 5.640 5.640 4.848 0.792 18375 8937 1 15 . 1 1 83 83 ILE C C 83 175.030 175.030 173.936 1.094 18375 8938 1 15 . 1 1 83 83 ILE CA C 83 59.440 59.440 58.846 0.594 18375 8939 1 15 . 1 1 83 83 ILE CB C 83 42.170 42.170 40.592 1.578 18375 8940 1 15 . 1 1 83 83 ILE H H 83 9.280 9.280 7.944 1.336 18375 8941 1 15 . 1 1 84 84 SER N N 84 115.430 115.430 117.853 -2.423 18375 8942 1 15 . 1 1 84 84 SER HA H 84 5.590 5.590 4.957 0.633 18375 8943 1 15 . 1 1 84 84 SER C C 84 173.130 173.130 173.557 -0.427 18375 8944 1 15 . 1 1 84 84 SER CA C 84 58.050 58.050 57.154 0.896 18375 8945 1 15 . 1 1 84 84 SER CB C 84 67.140 67.140 64.639 2.501 18375 8946 1 15 . 1 1 84 84 SER H H 84 9.600 9.600 9.202 0.398 18375 8947 1 15 . 1 1 85 85 GLU N N 85 117.660 117.660 126.900 -9.240 18375 8948 1 15 . 1 1 85 85 GLU HA H 85 5.180 5.180 4.985 0.195 18375 8949 1 15 . 1 1 85 85 GLU C C 85 171.780 171.780 174.704 -2.924 18375 8950 1 15 . 1 1 85 85 GLU CA C 85 54.880 54.880 54.727 0.153 18375 8951 1 15 . 1 1 85 85 GLU CB C 85 33.540 33.540 31.173 2.367 18375 8952 1 15 . 1 1 85 85 GLU H H 85 8.800 8.800 8.175 0.625 18375 8953 1 15 . 1 1 86 86 MET N N 86 118.950 118.950 126.779 -7.829 18375 8954 1 15 . 1 1 86 86 MET HA H 86 5.250 5.250 4.317 0.932 18375 8955 1 15 . 1 1 86 86 MET C C 86 175.010 175.010 176.158 -1.148 18375 8956 1 15 . 1 1 86 86 MET CA C 86 53.880 53.880 56.581 -2.701 18375 8957 1 15 . 1 1 86 86 MET CB C 86 38.240 38.240 32.972 5.268 18375 8958 1 15 . 1 1 86 86 MET H H 86 8.490 8.490 8.869 -0.379 18375 8959 1 15 . 1 1 87 87 ASN N N 87 116.670 116.670 125.293 -8.623 18375 8960 1 15 . 1 1 87 87 ASN HA H 87 4.190 4.190 4.352 -0.162 18375 8961 1 15 . 1 1 87 87 ASN C C 87 174.810 174.810 175.979 -1.169 18375 8962 1 15 . 1 1 87 87 ASN CA C 87 54.520 54.520 56.674 -2.154 18375 8963 1 15 . 1 1 87 87 ASN CB C 87 39.330 39.330 37.363 1.967 18375 8964 1 15 . 1 1 87 87 ASN H H 87 8.250 8.250 8.973 -0.723 18375 8965 1 15 . 1 1 88 88 TYR N N 88 119.600 119.600 116.814 2.786 18375 8966 1 15 . 1 1 88 88 TYR HA H 88 4.290 4.290 4.124 0.166 18375 8967 1 15 . 1 1 88 88 TYR C C 88 175.620 175.620 175.168 0.452 18375 8968 1 15 . 1 1 88 88 TYR CA C 88 60.720 60.720 61.488 -0.768 18375 8969 1 15 . 1 1 88 88 TYR CB C 88 41.430 41.430 37.668 3.762 18375 8970 1 15 . 1 1 88 88 TYR H H 88 8.940 8.940 8.776 0.164 18375 8971 1 15 . 1 1 89 89 SER N N 89 113.120 113.120 114.965 -1.845 18375 8972 1 15 . 1 1 89 89 SER HA H 89 4.320 4.320 4.364 -0.044 18375 8973 1 15 . 1 1 89 89 SER C C 89 174.860 174.860 173.448 1.412 18375 8974 1 15 . 1 1 89 89 SER CA C 89 58.690 58.690 58.271 0.419 18375 8975 1 15 . 1 1 89 89 SER CB C 89 65.140 65.140 63.939 1.201 18375 8976 1 15 . 1 1 89 89 SER H H 89 8.060 8.060 8.027 0.033 18375 8977 1 15 . 1 1 90 90 GLY N N 90 110.450 110.450 109.459 0.991 18375 8978 1 15 . 1 1 90 90 GLY C C 90 174.680 174.680 173.891 0.789 18375 8979 1 15 . 1 1 90 90 GLY CA C 90 45.950 45.950 45.540 0.410 18375 8980 1 15 . 1 1 90 90 GLY H H 90 8.180 8.180 8.051 0.129 18375 8981 1 15 . 1 1 91 91 GLY N N 91 108.710 108.710 110.504 -1.794 18375 8982 1 15 . 1 1 91 91 GLY CA C 91 45.880 45.880 42.878 3.002 18375 8983 1 15 . 1 1 91 91 GLY H H 91 8.330 8.330 8.296 0.034 18375 8984 1 15 . 1 1 92 92 PRO HA H 92 4.040 4.040 4.698 -0.658 18375 8985 1 15 . 1 1 92 92 PRO C C 92 177.930 177.930 176.474 1.456 18375 8986 1 15 . 1 1 92 92 PRO CA C 92 64.710 64.710 63.306 1.404 18375 8987 1 15 . 1 1 92 92 PRO CB C 92 32.690 32.690 31.390 1.300 18375 8988 1 15 . 1 1 93 93 PHE N N 93 113.220 113.220 118.222 -5.002 18375 8989 1 15 . 1 1 93 93 PHE HA H 93 4.480 4.480 3.988 0.492 18375 8990 1 15 . 1 1 93 93 PHE C C 93 174.490 174.490 175.429 -0.939 18375 8991 1 15 . 1 1 93 93 PHE CA C 93 62.890 62.890 59.351 3.539 18375 8992 1 15 . 1 1 93 93 PHE CB C 93 37.410 37.410 37.327 0.083 18375 8993 1 15 . 1 1 93 93 PHE H H 93 8.350 8.350 8.268 0.082 18375 8994 1 15 . 1 1 94 94 SER N N 94 115.680 115.680 117.875 -2.195 18375 8995 1 15 . 1 1 94 94 SER HA H 94 4.620 4.620 4.459 0.161 18375 8996 1 15 . 1 1 94 94 SER C C 94 174.290 174.290 175.041 -0.751 18375 8997 1 15 . 1 1 94 94 SER CA C 94 59.150 59.150 58.736 0.414 18375 8998 1 15 . 1 1 94 94 SER CB C 94 64.690 64.690 62.669 2.021 18375 8999 1 15 . 1 1 94 94 SER H H 94 7.980 7.980 8.118 -0.138 18375 9000 1 15 . 1 1 95 95 VAL N N 95 112.520 112.520 128.182 -15.662 18375 9001 1 15 . 1 1 95 95 VAL HA H 95 4.830 4.830 3.896 0.934 18375 9002 1 15 . 1 1 95 95 VAL C C 95 175.770 175.770 174.847 0.923 18375 9003 1 15 . 1 1 95 95 VAL CA C 95 62.520 62.520 62.420 0.100 18375 9004 1 15 . 1 1 95 95 VAL CB C 95 34.010 34.010 31.192 2.818 18375 9005 1 15 . 1 1 95 95 VAL H H 95 8.840 8.840 8.037 0.803 18375 9006 1 15 . 1 1 96 96 SER N N 96 122.260 122.260 126.242 -3.982 18375 9007 1 15 . 1 1 96 96 SER HA H 96 4.810 4.810 4.489 0.321 18375 9008 1 15 . 1 1 96 96 SER C C 96 172.250 172.250 173.928 -1.678 18375 9009 1 15 . 1 1 96 96 SER CA C 96 58.080 58.080 58.118 -0.038 18375 9010 1 15 . 1 1 96 96 SER CB C 96 66.590 66.590 62.987 3.603 18375 9011 1 15 . 1 1 96 96 SER H H 96 9.190 9.190 8.961 0.229 18375 9012 1 15 . 1 1 97 97 SER N N 97 112.810 112.810 123.326 -10.516 18375 9013 1 15 . 1 1 97 97 SER HA H 97 5.620 5.620 4.762 0.858 18375 9014 1 15 . 1 1 97 97 SER C C 97 174.130 174.130 174.337 -0.207 18375 9015 1 15 . 1 1 97 97 SER CA C 97 57.260 57.260 58.327 -1.067 18375 9016 1 15 . 1 1 97 97 SER CB C 97 66.740 66.740 63.151 3.589 18375 9017 1 15 . 1 1 97 97 SER H H 97 8.290 8.290 8.481 -0.191 18375 9018 1 15 . 1 1 98 98 ARG N N 98 122.640 122.640 125.703 -3.063 18375 9019 1 15 . 1 1 98 98 ARG HA H 98 4.650 4.650 4.613 0.037 18375 9020 1 15 . 1 1 98 98 ARG C C 98 174.030 174.030 175.537 -1.507 18375 9021 1 15 . 1 1 98 98 ARG CA C 98 56.640 56.640 54.275 2.365 18375 9022 1 15 . 1 1 98 98 ARG CB C 98 36.240 36.240 31.464 4.776 18375 9023 1 15 . 1 1 98 98 ARG H H 98 8.380 8.380 7.883 0.497 18375 9024 1 15 . 1 1 99 99 THR N N 99 118.220 118.220 117.431 0.789 18375 9025 1 15 . 1 1 99 99 THR HA H 99 5.280 5.280 5.043 0.237 18375 9026 1 15 . 1 1 99 99 THR C C 99 173.930 173.930 173.744 0.186 18375 9027 1 15 . 1 1 99 99 THR CA C 99 62.820 62.820 61.595 1.225 18375 9028 1 15 . 1 1 99 99 THR CB C 99 71.360 71.360 69.934 1.426 18375 9029 1 15 . 1 1 99 99 THR H H 99 8.650 8.650 8.278 0.372 18375 9030 1 15 . 1 1 100 100 ILE N N 100 112.130 112.130 127.972 -15.842 18375 9031 1 15 . 1 1 100 100 ILE HA H 100 4.290 4.290 4.263 0.027 18375 9032 1 15 . 1 1 100 100 ILE C C 100 175.190 175.190 175.611 -0.421 18375 9033 1 15 . 1 1 100 100 ILE CA C 100 60.340 60.340 58.913 1.427 18375 9034 1 15 . 1 1 100 100 ILE CB C 100 40.390 40.390 37.881 2.509 18375 9035 1 15 . 1 1 100 100 ILE H H 100 9.560 9.560 8.858 0.702 18375 9036 1 15 . 1 1 101 101 SER N N 101 121.940 121.940 122.293 -0.353 18375 9037 1 15 . 1 1 101 101 SER HA H 101 4.120 4.120 4.526 -0.406 18375 9038 1 15 . 1 1 101 101 SER C C 101 174.230 174.230 175.478 -1.248 18375 9039 1 15 . 1 1 101 101 SER CA C 101 59.450 59.450 57.379 2.071 18375 9040 1 15 . 1 1 101 101 SER CB C 101 65.410 65.410 64.441 0.969 18375 9041 1 15 . 1 1 101 101 SER H H 101 8.860 8.860 8.771 0.089 18375 9042 1 15 . 1 1 102 102 ALA N N 102 123.870 123.870 129.805 -5.935 18375 9043 1 15 . 1 1 102 102 ALA HA H 102 3.910 3.910 4.012 -0.102 18375 9044 1 15 . 1 1 102 102 ALA C C 102 170.440 170.440 179.246 -8.806 18375 9045 1 15 . 1 1 102 102 ALA CA C 102 56.360 56.360 55.174 1.186 18375 9046 1 15 . 1 1 102 102 ALA CB C 102 19.430 19.430 18.556 0.874 18375 9047 1 15 . 1 1 102 102 ALA H H 102 8.860 8.860 8.550 0.310 18375 9048 1 15 . 1 1 103 103 SER N N 103 109.980 109.980 113.915 -3.935 18375 9049 1 15 . 1 1 103 103 SER HA H 103 4.200 4.200 4.085 0.115 18375 9050 1 15 . 1 1 103 103 SER C C 103 176.050 176.050 176.095 -0.045 18375 9051 1 15 . 1 1 103 103 SER CA C 103 61.680 61.680 61.141 0.539 18375 9052 1 15 . 1 1 103 103 SER CB C 103 63.640 63.640 63.051 0.589 18375 9053 1 15 . 1 1 103 103 SER H H 103 8.180 8.180 7.926 0.254 18375 9054 1 15 . 1 1 104 104 GLU N N 104 121.250 121.250 119.490 1.760 18375 9055 1 15 . 1 1 104 104 GLU HA H 104 4.260 4.260 4.097 0.163 18375 9056 1 15 . 1 1 104 104 GLU C C 104 178.240 178.240 177.436 0.804 18375 9057 1 15 . 1 1 104 104 GLU CA C 104 57.960 57.960 57.298 0.662 18375 9058 1 15 . 1 1 104 104 GLU CB C 104 32.210 32.210 29.861 2.349 18375 9059 1 15 . 1 1 104 104 GLU H H 104 7.560 7.560 7.646 -0.086 18375 9060 1 15 . 1 1 105 105 ALA N N 105 121.520 121.520 122.550 -1.030 18375 9061 1 15 . 1 1 105 105 ALA HA H 105 4.060 4.060 4.285 -0.225 18375 9062 1 15 . 1 1 105 105 ALA C C 105 170.230 170.230 179.308 -9.078 18375 9063 1 15 . 1 1 105 105 ALA CA C 105 57.080 57.080 54.652 2.428 18375 9064 1 15 . 1 1 105 105 ALA CB C 105 19.320 19.320 18.301 1.019 18375 9065 1 15 . 1 1 105 105 ALA H H 105 8.280 8.280 7.938 0.342 18375 9066 1 15 . 1 1 106 106 GLY N N 106 121.950 121.950 104.825 17.125 18375 9067 1 15 . 1 1 106 106 GLY C C 106 174.110 174.110 174.757 -0.647 18375 9068 1 15 . 1 1 106 106 GLY CA C 106 46.780 46.780 45.675 1.105 18375 9069 1 15 . 1 1 106 106 GLY H H 106 8.360 8.360 7.932 0.428 18375 9070 1 15 . 1 1 107 107 ASN N N 107 117.130 117.130 117.388 -0.258 18375 9071 1 15 . 1 1 107 107 ASN HA H 107 4.480 4.480 4.337 0.143 18375 9072 1 15 . 1 1 107 107 ASN C C 107 175.110 175.110 175.597 -0.487 18375 9073 1 15 . 1 1 107 107 ASN CA C 107 54.220 54.220 54.062 0.158 18375 9074 1 15 . 1 1 107 107 ASN CB C 107 38.890 38.890 39.392 -0.502 18375 9075 1 15 . 1 1 107 107 ASN H H 107 7.830 7.830 7.334 0.496 18375 9076 1 15 . 1 1 108 108 TYR N N 108 117.300 117.300 119.448 -2.148 18375 9077 1 15 . 1 1 108 108 TYR HA H 108 4.620 4.620 4.600 0.020 18375 9078 1 15 . 1 1 108 108 TYR C C 108 174.810 174.810 176.001 -1.191 18375 9079 1 15 . 1 1 108 108 TYR CA C 108 58.700 58.700 58.327 0.373 18375 9080 1 15 . 1 1 108 108 TYR CB C 108 41.260 41.260 36.833 4.427 18375 9081 1 15 . 1 1 108 108 TYR H H 108 7.020 7.020 7.197 -0.177 18375 9082 1 15 . 1 1 109 109 ASN N N 109 117.260 117.260 121.934 -4.674 18375 9083 1 15 . 1 1 109 109 ASN HA H 109 5.020 5.020 5.223 -0.203 18375 9084 1 15 . 1 1 109 109 ASN C C 109 173.590 173.590 174.557 -0.967 18375 9085 1 15 . 1 1 109 109 ASN CA C 109 53.140 53.140 53.805 -0.665 18375 9086 1 15 . 1 1 109 109 ASN CB C 109 41.590 41.590 40.522 1.068 18375 9087 1 15 . 1 1 109 109 ASN H H 109 7.910 7.910 8.481 -0.571 18375 9088 1 15 . 1 1 110 110 TYR N N 110 117.410 117.410 117.904 -0.494 18375 9089 1 15 . 1 1 110 110 TYR HA H 110 5.300 5.300 5.237 0.063 18375 9090 1 15 . 1 1 110 110 TYR C C 110 174.450 174.450 173.799 0.651 18375 9091 1 15 . 1 1 110 110 TYR CA C 110 57.740 57.740 55.084 2.656 18375 9092 1 15 . 1 1 110 110 TYR CB C 110 41.580 41.580 41.074 0.506 18375 9093 1 15 . 1 1 110 110 TYR H H 110 9.340 9.340 8.923 0.417 18375 9094 1 15 . 1 1 111 111 ILE N N 111 123.080 123.080 116.471 6.609 18375 9095 1 15 . 1 1 111 111 ILE HA H 111 4.360 4.360 4.808 -0.448 18375 9096 1 15 . 1 1 111 111 ILE C C 111 175.250 175.250 174.388 0.862 18375 9097 1 15 . 1 1 111 111 ILE CA C 111 61.530 61.530 59.521 2.009 18375 9098 1 15 . 1 1 111 111 ILE CB C 111 40.560 40.560 40.240 0.320 18375 9099 1 15 . 1 1 111 111 ILE H H 111 9.320 9.320 8.532 0.788 18375 9100 1 15 . 1 1 112 112 HIS N N 112 109.020 109.020 125.079 -16.059 18375 9101 1 15 . 1 1 112 112 HIS HA H 112 4.560 4.560 4.677 -0.117 18375 9102 1 15 . 1 1 112 112 HIS C C 112 173.980 173.980 174.324 -0.344 18375 9103 1 15 . 1 1 112 112 HIS CA C 112 57.550 57.550 54.983 2.567 18375 9104 1 15 . 1 1 112 112 HIS CB C 112 31.350 31.350 33.242 -1.891 18375 9105 1 15 . 1 1 112 112 HIS H H 112 8.710 8.710 8.541 0.169 18375 9106 1 16 . 1 1 3 3 SER HA H 3 4.510 4.510 4.659 -0.149 18375 9107 1 16 . 1 1 3 3 SER C C 3 174.460 174.460 174.742 -0.282 18375 9108 1 16 . 1 1 3 3 SER CA C 3 59.400 59.400 57.720 1.680 18375 9109 1 16 . 1 1 3 3 SER CB C 3 64.820 64.820 63.096 1.724 18375 9110 1 16 . 1 1 4 4 ILE N N 4 121.890 121.890 124.338 -2.448 18375 9111 1 16 . 1 1 4 4 ILE HA H 4 4.210 4.210 4.425 -0.215 18375 9112 1 16 . 1 1 4 4 ILE C C 4 176.040 176.040 175.612 0.428 18375 9113 1 16 . 1 1 4 4 ILE CA C 4 62.180 62.180 59.964 2.216 18375 9114 1 16 . 1 1 4 4 ILE CB C 4 39.930 39.930 38.795 1.135 18375 9115 1 16 . 1 1 4 4 ILE H H 4 8.180 8.180 8.191 -0.011 18375 9116 1 16 . 1 1 5 5 SER N N 5 119.230 119.230 112.761 6.469 18375 9117 1 16 . 1 1 5 5 SER C C 5 174.290 174.290 173.775 0.515 18375 9118 1 16 . 1 1 5 5 SER CA C 5 59.140 59.140 59.162 -0.022 18375 9119 1 16 . 1 1 5 5 SER CB C 5 64.930 64.930 63.901 1.029 18375 9120 1 16 . 1 1 5 5 SER H H 5 8.270 8.270 8.175 0.095 18375 9121 1 16 . 1 1 6 6 HIS HA H 6 4.650 4.650 4.280 0.370 18375 9122 1 16 . 1 1 6 6 HIS CA C 6 57.240 57.240 57.235 0.005 18375 9123 1 16 . 1 1 6 6 HIS CB C 6 31.150 31.150 28.730 2.421 18375 9124 1 16 . 1 1 7 7 SER N N 7 117.260 117.260 110.421 6.839 18375 9125 1 16 . 1 1 7 7 SER HA H 7 4.430 4.430 4.131 0.299 18375 9126 1 16 . 1 1 7 7 SER C C 7 174.890 174.890 174.510 0.380 18375 9127 1 16 . 1 1 7 7 SER CA C 7 59.750 59.750 58.804 0.946 18375 9128 1 16 . 1 1 7 7 SER CB C 7 64.890 64.890 62.726 2.164 18375 9129 1 16 . 1 1 7 7 SER H H 7 8.360 8.360 8.491 -0.131 18375 9130 1 16 . 1 1 8 8 GLY N N 8 110.140 110.140 109.415 0.725 18375 9131 1 16 . 1 1 8 8 GLY C C 8 173.340 173.340 172.302 1.038 18375 9132 1 16 . 1 1 8 8 GLY CA C 8 45.920 45.920 45.110 0.810 18375 9133 1 16 . 1 1 8 8 GLY H H 8 8.500 8.500 8.329 0.171 18375 9134 1 16 . 1 1 9 9 ASN N N 9 118.840 118.840 120.707 -1.867 18375 9135 1 16 . 1 1 9 9 ASN HA H 9 3.430 3.430 4.490 -1.060 18375 9136 1 16 . 1 1 9 9 ASN C C 9 175.460 175.460 175.953 -0.493 18375 9137 1 16 . 1 1 9 9 ASN CA C 9 53.400 53.400 52.103 1.297 18375 9138 1 16 . 1 1 9 9 ASN CB C 9 38.780 38.780 39.523 -0.743 18375 9139 1 16 . 1 1 9 9 ASN H H 9 8.280 8.280 8.717 -0.437 18375 9140 1 16 . 1 1 10 10 LEU N N 10 125.560 125.560 116.170 9.390 18375 9141 1 16 . 1 1 10 10 LEU HA H 10 4.250 4.250 3.957 0.293 18375 9142 1 16 . 1 1 10 10 LEU C C 10 177.320 177.320 175.114 2.206 18375 9143 1 16 . 1 1 10 10 LEU CA C 10 55.080 55.080 55.975 -0.895 18375 9144 1 16 . 1 1 10 10 LEU CB C 10 42.110 42.110 39.940 2.170 18375 9145 1 16 . 1 1 10 10 LEU H H 10 6.850 6.850 8.306 -1.456 18375 9146 1 16 . 1 1 11 11 TYR N N 11 120.920 120.920 117.465 3.455 18375 9147 1 16 . 1 1 11 11 TYR HA H 11 4.350 4.350 4.740 -0.390 18375 9148 1 16 . 1 1 11 11 TYR C C 11 174.800 174.800 175.948 -1.148 18375 9149 1 16 . 1 1 11 11 TYR CA C 11 60.200 60.200 57.229 2.971 18375 9150 1 16 . 1 1 11 11 TYR CB C 11 38.520 38.520 40.867 -2.347 18375 9151 1 16 . 1 1 11 11 TYR H H 11 7.680 7.680 7.688 -0.008 18375 9152 1 16 . 1 1 12 12 THR N N 12 118.320 118.320 117.215 1.105 18375 9153 1 16 . 1 1 12 12 THR HA H 12 3.680 3.680 4.218 -0.538 18375 9154 1 16 . 1 1 12 12 THR C C 12 173.180 173.180 173.449 -0.269 18375 9155 1 16 . 1 1 12 12 THR CA C 12 65.310 65.310 62.775 2.535 18375 9156 1 16 . 1 1 12 12 THR CB C 12 70.080 70.080 69.552 0.528 18375 9157 1 16 . 1 1 12 12 THR H H 12 8.320 8.320 8.677 -0.357 18375 9158 1 16 . 1 1 13 13 ALA N N 13 111.540 111.540 125.739 -14.199 18375 9159 1 16 . 1 1 13 13 ALA HA H 13 3.690 3.690 3.199 0.491 18375 9160 1 16 . 1 1 13 13 ALA CA C 13 53.700 53.700 53.077 0.623 18375 9161 1 16 . 1 1 13 13 ALA H H 13 8.150 8.150 8.255 -0.105 18375 9162 1 16 . 1 1 14 14 GLY N N 14 109.410 109.410 110.468 -1.058 18375 9163 1 16 . 1 1 14 14 GLY C C 14 173.310 173.310 173.764 -0.454 18375 9164 1 16 . 1 1 14 14 GLY CA C 14 44.150 44.150 44.096 0.054 18375 9165 1 16 . 1 1 14 14 GLY H H 14 4.990 4.990 6.986 -1.996 18375 9166 1 16 . 1 1 15 15 GLN N N 15 115.720 115.720 118.476 -2.756 18375 9167 1 16 . 1 1 15 15 GLN HA H 15 4.410 4.410 4.784 -0.374 18375 9168 1 16 . 1 1 15 15 GLN C C 15 176.310 176.310 177.780 -1.470 18375 9169 1 16 . 1 1 15 15 GLN CA C 15 55.570 55.570 53.934 1.636 18375 9170 1 16 . 1 1 15 15 GLN CB C 15 31.180 31.180 31.030 0.150 18375 9171 1 16 . 1 1 15 15 GLN H H 15 7.170 7.170 7.663 -0.493 18375 9172 1 16 . 1 1 16 16 CYS N N 16 118.020 118.020 119.795 -1.775 18375 9173 1 16 . 1 1 16 16 CYS HA H 16 4.590 4.590 4.500 0.090 18375 9174 1 16 . 1 1 16 16 CYS C C 16 176.730 176.730 177.096 -0.366 18375 9175 1 16 . 1 1 16 16 CYS CA C 16 61.050 61.050 62.190 -1.140 18375 9176 1 16 . 1 1 16 16 CYS CB C 16 28.600 28.600 28.093 0.507 18375 9177 1 16 . 1 1 16 16 CYS H H 16 9.300 9.300 9.409 -0.109 18375 9178 1 16 . 1 1 17 17 THR N N 17 113.910 113.910 113.431 0.479 18375 9179 1 16 . 1 1 17 17 THR HA H 17 3.180 3.180 4.255 -1.075 18375 9180 1 16 . 1 1 17 17 THR C C 17 174.260 174.260 176.231 -1.971 18375 9181 1 16 . 1 1 17 17 THR CA C 17 62.800 62.800 65.154 -2.354 18375 9182 1 16 . 1 1 17 17 THR CB C 17 69.000 69.000 68.291 0.709 18375 9183 1 16 . 1 1 17 17 THR H H 17 7.300 7.300 8.554 -1.254 18375 9184 1 16 . 1 1 18 18 TRP N N 18 123.650 123.650 124.495 -0.845 18375 9185 1 16 . 1 1 18 18 TRP HA H 18 4.380 4.380 4.498 -0.118 18375 9186 1 16 . 1 1 18 18 TRP C C 18 177.910 177.910 177.065 0.845 18375 9187 1 16 . 1 1 18 18 TRP CA C 18 61.600 61.600 61.239 0.361 18375 9188 1 16 . 1 1 18 18 TRP CB C 18 31.320 31.320 29.433 1.887 18375 9189 1 16 . 1 1 18 18 TRP H H 18 6.640 6.640 7.578 -0.938 18375 9190 1 16 . 1 1 19 19 TYR N N 19 115.660 115.660 120.301 -4.641 18375 9191 1 16 . 1 1 19 19 TYR HA H 19 4.120 4.120 4.110 0.010 18375 9192 1 16 . 1 1 19 19 TYR C C 19 177.170 177.170 177.576 -0.406 18375 9193 1 16 . 1 1 19 19 TYR CA C 19 61.370 61.370 61.631 -0.261 18375 9194 1 16 . 1 1 19 19 TYR CB C 19 42.110 42.110 38.519 3.591 18375 9195 1 16 . 1 1 19 19 TYR H H 19 7.680 7.680 9.076 -1.396 18375 9196 1 16 . 1 1 20 20 VAL N N 20 116.740 116.740 119.483 -2.743 18375 9197 1 16 . 1 1 20 20 VAL HA H 20 3.030 3.030 3.533 -0.503 18375 9198 1 16 . 1 1 20 20 VAL C C 20 176.410 176.410 177.927 -1.517 18375 9199 1 16 . 1 1 20 20 VAL CA C 20 68.360 68.360 67.251 1.109 18375 9200 1 16 . 1 1 20 20 VAL CB C 20 32.210 32.210 31.882 0.328 18375 9201 1 16 . 1 1 20 20 VAL H H 20 7.450 7.450 7.770 -0.320 18375 9202 1 16 . 1 1 21 21 TYR N N 21 118.550 118.550 120.198 -1.648 18375 9203 1 16 . 1 1 21 21 TYR HA H 21 3.560 3.560 4.225 -0.665 18375 9204 1 16 . 1 1 21 21 TYR C C 21 176.490 176.490 177.104 -0.614 18375 9205 1 16 . 1 1 21 21 TYR CA C 21 63.990 63.990 60.909 3.081 18375 9206 1 16 . 1 1 21 21 TYR CB C 21 38.970 38.970 38.403 0.567 18375 9207 1 16 . 1 1 21 21 TYR H H 21 8.370 8.370 7.593 0.777 18375 9208 1 16 . 1 1 22 22 ASP N N 22 115.760 115.760 119.464 -3.704 18375 9209 1 16 . 1 1 22 22 ASP HA H 22 4.260 4.260 3.983 0.277 18375 9210 1 16 . 1 1 22 22 ASP C C 22 169.690 169.690 178.539 -8.849 18375 9211 1 16 . 1 1 22 22 ASP CA C 22 58.010 58.010 57.310 0.700 18375 9212 1 16 . 1 1 22 22 ASP CB C 22 41.770 41.770 40.258 1.512 18375 9213 1 16 . 1 1 22 22 ASP H H 22 6.880 6.880 7.823 -0.943 18375 9214 1 16 . 1 1 23 23 LYS N N 23 121.790 121.790 118.998 2.792 18375 9215 1 16 . 1 1 23 23 LYS HA H 23 3.610 3.610 3.708 -0.098 18375 9216 1 16 . 1 1 23 23 LYS C C 23 178.360 178.360 178.508 -0.148 18375 9217 1 16 . 1 1 23 23 LYS CA C 23 57.990 57.990 57.888 0.102 18375 9218 1 16 . 1 1 23 23 LYS CB C 23 31.350 31.350 31.635 -0.285 18375 9219 1 16 . 1 1 23 23 LYS H H 23 7.820 7.820 7.921 -0.101 18375 9220 1 16 . 1 1 24 24 VAL N N 24 108.790 108.790 110.288 -1.498 18375 9221 1 16 . 1 1 24 24 VAL HA H 24 4.390 4.390 4.060 0.330 18375 9222 1 16 . 1 1 24 24 VAL C C 24 176.840 176.840 176.321 0.519 18375 9223 1 16 . 1 1 24 24 VAL CA C 24 61.430 61.430 61.715 -0.285 18375 9224 1 16 . 1 1 24 24 VAL CB C 24 31.690 31.690 31.162 0.528 18375 9225 1 16 . 1 1 24 24 VAL H H 24 7.590 7.590 7.362 0.228 18375 9226 1 16 . 1 1 25 25 GLY N N 25 110.620 110.620 108.538 2.082 18375 9227 1 16 . 1 1 25 25 GLY C C 25 175.510 175.510 174.954 0.556 18375 9228 1 16 . 1 1 25 25 GLY CA C 25 47.110 47.110 45.076 2.034 18375 9229 1 16 . 1 1 25 25 GLY H H 25 7.680 7.680 7.393 0.287 18375 9230 1 16 . 1 1 26 26 GLY N N 26 122.410 122.410 106.894 15.516 18375 9231 1 16 . 1 1 26 26 GLY C C 26 174.470 174.470 173.884 0.586 18375 9232 1 16 . 1 1 26 26 GLY CA C 26 46.440 46.440 44.557 1.883 18375 9233 1 16 . 1 1 26 26 GLY H H 26 7.870 7.870 8.029 -0.159 18375 9234 1 16 . 1 1 27 27 GLU N N 27 116.720 116.720 118.075 -1.355 18375 9235 1 16 . 1 1 27 27 GLU HA H 27 4.150 4.150 3.941 0.209 18375 9236 1 16 . 1 1 27 27 GLU C C 27 175.810 175.810 175.701 0.109 18375 9237 1 16 . 1 1 27 27 GLU CA C 27 58.110 58.110 58.274 -0.164 18375 9238 1 16 . 1 1 27 27 GLU CB C 27 30.500 30.500 30.164 0.336 18375 9239 1 16 . 1 1 27 27 GLU H H 27 6.650 6.650 7.201 -0.551 18375 9240 1 16 . 1 1 28 28 ILE N N 28 125.210 125.210 114.471 10.739 18375 9241 1 16 . 1 1 28 28 ILE HA H 28 4.040 4.040 4.143 -0.103 18375 9242 1 16 . 1 1 28 28 ILE CA C 28 60.160 60.160 59.912 0.248 18375 9243 1 16 . 1 1 28 28 ILE CB C 28 40.940 40.940 40.064 0.876 18375 9244 1 16 . 1 1 28 28 ILE H H 28 6.330 6.330 7.425 -1.095 18375 9245 1 16 . 1 1 29 29 GLY C C 29 174.050 174.050 174.800 -0.750 18375 9246 1 16 . 1 1 29 29 GLY CA C 29 46.190 46.190 44.960 1.230 18375 9247 1 16 . 1 1 30 30 SER N N 30 115.530 115.530 113.737 1.793 18375 9248 1 16 . 1 1 30 30 SER HA H 30 4.140 4.140 3.409 0.731 18375 9249 1 16 . 1 1 30 30 SER C C 30 174.000 174.000 174.901 -0.901 18375 9250 1 16 . 1 1 30 30 SER CA C 30 60.180 60.180 60.227 -0.048 18375 9251 1 16 . 1 1 30 30 SER CB C 30 65.150 65.150 60.621 4.529 18375 9252 1 16 . 1 1 30 30 SER H H 30 8.540 8.540 7.107 1.433 18375 9253 1 16 . 1 1 31 31 THR N N 31 124.440 124.440 117.739 6.701 18375 9254 1 16 . 1 1 31 31 THR HA H 31 4.460 4.460 4.364 0.096 18375 9255 1 16 . 1 1 31 31 THR C C 31 175.390 175.390 174.024 1.366 18375 9256 1 16 . 1 1 31 31 THR CA C 31 61.350 61.350 62.563 -1.213 18375 9257 1 16 . 1 1 31 31 THR CB C 31 69.190 69.190 68.664 0.526 18375 9258 1 16 . 1 1 31 31 THR H H 31 7.070 7.070 8.099 -1.029 18375 9259 1 16 . 1 1 32 32 TRP N N 32 121.120 121.120 118.278 2.842 18375 9260 1 16 . 1 1 32 32 TRP HA H 32 4.470 4.470 4.508 -0.038 18375 9261 1 16 . 1 1 32 32 TRP C C 32 175.720 175.720 176.210 -0.490 18375 9262 1 16 . 1 1 32 32 TRP CA C 32 57.500 57.500 54.479 3.021 18375 9263 1 16 . 1 1 32 32 TRP CB C 32 28.670 28.670 27.795 0.875 18375 9264 1 16 . 1 1 32 32 TRP H H 32 7.750 7.750 7.162 0.588 18375 9265 1 16 . 1 1 33 33 GLY N N 33 125.330 125.330 110.140 15.190 18375 9266 1 16 . 1 1 33 33 GLY C C 33 175.520 175.520 173.694 1.826 18375 9267 1 16 . 1 1 33 33 GLY CA C 33 46.390 46.390 46.002 0.388 18375 9268 1 16 . 1 1 33 33 GLY H H 33 8.580 8.580 7.784 0.796 18375 9269 1 16 . 1 1 34 34 ASN N N 34 118.870 118.870 120.767 -1.897 18375 9270 1 16 . 1 1 34 34 ASN HA H 34 4.720 4.720 5.294 -0.574 18375 9271 1 16 . 1 1 34 34 ASN C C 34 175.710 175.710 176.502 -0.792 18375 9272 1 16 . 1 1 34 34 ASN CA C 34 54.630 54.630 51.736 2.894 18375 9273 1 16 . 1 1 34 34 ASN CB C 34 40.050 40.050 41.224 -1.174 18375 9274 1 16 . 1 1 34 34 ASN H H 34 8.780 8.780 8.308 0.472 18375 9275 1 16 . 1 1 35 35 ALA N N 35 121.960 121.960 122.972 -1.012 18375 9276 1 16 . 1 1 35 35 ALA HA H 35 2.920 2.920 3.407 -0.487 18375 9277 1 16 . 1 1 35 35 ALA C C 35 169.710 169.710 179.451 -9.741 18375 9278 1 16 . 1 1 35 35 ALA CA C 35 55.950 55.950 55.597 0.353 18375 9279 1 16 . 1 1 35 35 ALA CB C 35 20.460 20.460 18.360 2.100 18375 9280 1 16 . 1 1 35 35 ALA H H 35 8.750 8.750 9.050 -0.300 18375 9281 1 16 . 1 1 36 36 ASN N N 36 114.940 114.940 116.384 -1.444 18375 9282 1 16 . 1 1 36 36 ASN HA H 36 4.170 4.170 4.471 -0.301 18375 9283 1 16 . 1 1 36 36 ASN C C 36 175.200 175.200 176.249 -1.049 18375 9284 1 16 . 1 1 36 36 ASN CA C 36 55.930 55.930 56.027 -0.097 18375 9285 1 16 . 1 1 36 36 ASN CB C 36 36.690 36.690 38.676 -1.986 18375 9286 1 16 . 1 1 36 36 ASN H H 36 8.410 8.410 8.728 -0.318 18375 9287 1 16 . 1 1 37 37 ASN N N 37 120.180 120.180 117.000 3.180 18375 9288 1 16 . 1 1 37 37 ASN HA H 37 5.060 5.060 4.957 0.103 18375 9289 1 16 . 1 1 37 37 ASN C C 37 176.530 176.530 176.193 0.337 18375 9290 1 16 . 1 1 37 37 ASN CA C 37 54.250 54.250 52.744 1.506 18375 9291 1 16 . 1 1 37 37 ASN CB C 37 41.720 41.720 39.128 2.592 18375 9292 1 16 . 1 1 37 37 ASN H H 37 8.850 8.850 8.043 0.807 18375 9293 1 16 . 1 1 38 38 TRP N N 38 118.410 118.410 123.446 -5.036 18375 9294 1 16 . 1 1 38 38 TRP HA H 38 4.190 4.190 4.324 -0.134 18375 9295 1 16 . 1 1 38 38 TRP C C 38 177.390 177.390 178.193 -0.803 18375 9296 1 16 . 1 1 38 38 TRP CA C 38 63.450 63.450 62.441 1.008 18375 9297 1 16 . 1 1 38 38 TRP CB C 38 29.680 29.680 28.753 0.926 18375 9298 1 16 . 1 1 38 38 TRP H H 38 8.240 8.240 8.317 -0.077 18375 9299 1 16 . 1 1 39 39 ALA N N 39 118.400 118.400 119.853 -1.453 18375 9300 1 16 . 1 1 39 39 ALA HA H 39 3.770 3.770 3.963 -0.193 18375 9301 1 16 . 1 1 39 39 ALA C C 39 178.580 178.580 179.536 -0.956 18375 9302 1 16 . 1 1 39 39 ALA CA C 39 56.760 56.760 55.552 1.208 18375 9303 1 16 . 1 1 39 39 ALA CB C 39 18.020 18.020 17.487 0.533 18375 9304 1 16 . 1 1 39 39 ALA H H 39 7.150 7.150 8.844 -1.694 18375 9305 1 16 . 1 1 40 40 ALA N N 40 121.830 121.830 121.368 0.462 18375 9306 1 16 . 1 1 40 40 ALA HA H 40 3.990 3.990 3.978 0.012 18375 9307 1 16 . 1 1 40 40 ALA C C 40 171.320 171.320 179.030 -7.710 18375 9308 1 16 . 1 1 40 40 ALA CA C 40 55.610 55.610 54.490 1.119 18375 9309 1 16 . 1 1 40 40 ALA CB C 40 18.840 18.840 18.388 0.452 18375 9310 1 16 . 1 1 40 40 ALA H H 40 8.060 8.060 7.965 0.095 18375 9311 1 16 . 1 1 41 41 ALA N N 41 122.200 122.200 120.943 1.257 18375 9312 1 16 . 1 1 41 41 ALA HA H 41 3.630 3.630 3.907 -0.277 18375 9313 1 16 . 1 1 41 41 ALA C C 41 170.110 170.110 179.222 -9.112 18375 9314 1 16 . 1 1 41 41 ALA CA C 41 55.240 55.240 55.000 0.240 18375 9315 1 16 . 1 1 41 41 ALA CB C 41 18.020 18.020 18.590 -0.570 18375 9316 1 16 . 1 1 41 41 ALA H H 41 8.250 8.250 8.421 -0.171 18375 9317 1 16 . 1 1 42 42 ALA N N 42 119.600 119.600 120.663 -1.063 18375 9318 1 16 . 1 1 42 42 ALA HA H 42 3.270 3.270 3.093 0.177 18375 9319 1 16 . 1 1 42 42 ALA C C 42 170.160 170.160 179.488 -9.328 18375 9320 1 16 . 1 1 42 42 ALA CA C 42 55.480 55.480 54.813 0.667 18375 9321 1 16 . 1 1 42 42 ALA CB C 42 19.890 19.890 17.971 1.919 18375 9322 1 16 . 1 1 42 42 ALA H H 42 7.710 7.710 8.687 -0.977 18375 9323 1 16 . 1 1 43 43 GLN N N 43 118.750 118.750 118.764 -0.014 18375 9324 1 16 . 1 1 43 43 GLN HA H 43 4.340 4.340 4.090 0.250 18375 9325 1 16 . 1 1 43 43 GLN C C 43 170.980 170.980 179.091 -8.111 18375 9326 1 16 . 1 1 43 43 GLN CA C 43 60.200 60.200 58.365 1.835 18375 9327 1 16 . 1 1 43 43 GLN CB C 43 29.710 29.710 28.868 0.842 18375 9328 1 16 . 1 1 43 43 GLN H H 43 7.880 7.880 7.778 0.102 18375 9329 1 16 . 1 1 44 44 GLY N N 44 125.760 125.760 105.753 20.007 18375 9330 1 16 . 1 1 44 44 GLY C C 44 174.300 174.300 175.011 -0.711 18375 9331 1 16 . 1 1 44 44 GLY CA C 44 47.660 47.660 46.059 1.601 18375 9332 1 16 . 1 1 44 44 GLY H H 44 8.010 8.010 7.941 0.069 18375 9333 1 16 . 1 1 45 45 ALA N N 45 121.480 121.480 121.429 0.051 18375 9334 1 16 . 1 1 45 45 ALA HA H 45 4.620 4.620 4.129 0.491 18375 9335 1 16 . 1 1 45 45 ALA C C 45 177.190 177.190 177.322 -0.132 18375 9336 1 16 . 1 1 45 45 ALA CA C 45 52.680 52.680 52.242 0.438 18375 9337 1 16 . 1 1 45 45 ALA CB C 45 20.560 20.560 19.175 1.385 18375 9338 1 16 . 1 1 45 45 ALA H H 45 7.540 7.540 7.566 -0.026 18375 9339 1 16 . 1 1 46 46 GLY N N 46 123.690 123.690 105.755 17.935 18375 9340 1 16 . 1 1 46 46 GLY C C 46 174.980 174.980 174.700 0.280 18375 9341 1 16 . 1 1 46 46 GLY CA C 46 46.540 46.540 44.613 1.927 18375 9342 1 16 . 1 1 46 46 GLY H H 46 7.680 7.680 7.376 0.304 18375 9343 1 16 . 1 1 47 47 PHE N N 47 119.960 119.960 120.609 -0.649 18375 9344 1 16 . 1 1 47 47 PHE HA H 47 4.620 4.620 4.439 0.181 18375 9345 1 16 . 1 1 47 47 PHE C C 47 176.120 176.120 175.883 0.237 18375 9346 1 16 . 1 1 47 47 PHE CA C 47 59.000 59.000 55.168 3.832 18375 9347 1 16 . 1 1 47 47 PHE CB C 47 40.350 40.350 38.897 1.453 18375 9348 1 16 . 1 1 47 47 PHE H H 47 8.280 8.280 8.132 0.148 18375 9349 1 16 . 1 1 48 48 THR N N 48 120.680 120.680 120.164 0.516 18375 9350 1 16 . 1 1 48 48 THR HA H 48 4.190 4.190 4.318 -0.128 18375 9351 1 16 . 1 1 48 48 THR C C 48 173.000 173.000 172.995 0.005 18375 9352 1 16 . 1 1 48 48 THR CA C 48 65.150 65.150 62.102 3.049 18375 9353 1 16 . 1 1 48 48 THR CB C 48 70.530 70.530 67.621 2.909 18375 9354 1 16 . 1 1 48 48 THR H H 48 9.260 9.260 8.631 0.629 18375 9355 1 16 . 1 1 49 49 VAL N N 49 111.320 111.320 128.962 -17.642 18375 9356 1 16 . 1 1 49 49 VAL HA H 49 5.380 5.380 4.458 0.922 18375 9357 1 16 . 1 1 49 49 VAL C C 49 175.570 175.570 175.392 0.178 18375 9358 1 16 . 1 1 49 49 VAL CA C 49 61.510 61.510 61.363 0.147 18375 9359 1 16 . 1 1 49 49 VAL CB C 49 34.960 34.960 31.676 3.284 18375 9360 1 16 . 1 1 49 49 VAL H H 49 8.560 8.560 8.375 0.185 18375 9361 1 16 . 1 1 50 50 ASN N N 50 125.000 125.000 126.613 -1.613 18375 9362 1 16 . 1 1 50 50 ASN HA H 50 4.800 4.800 5.097 -0.297 18375 9363 1 16 . 1 1 50 50 ASN C C 50 174.270 174.270 173.558 0.712 18375 9364 1 16 . 1 1 50 50 ASN CA C 50 53.430 53.430 52.083 1.347 18375 9365 1 16 . 1 1 50 50 ASN CB C 50 39.100 39.100 41.645 -2.545 18375 9366 1 16 . 1 1 50 50 ASN H H 50 9.010 9.010 8.147 0.863 18375 9367 1 16 . 1 1 51 51 HIS N N 51 114.650 114.650 114.224 0.426 18375 9368 1 16 . 1 1 51 51 HIS HA H 51 5.760 5.760 5.247 0.513 18375 9369 1 16 . 1 1 51 51 HIS C C 51 174.060 174.060 173.351 0.709 18375 9370 1 16 . 1 1 51 51 HIS CA C 51 56.360 56.360 55.594 0.766 18375 9371 1 16 . 1 1 51 51 HIS CB C 51 29.980 29.980 30.359 -0.379 18375 9372 1 16 . 1 1 51 51 HIS H H 51 8.550 8.550 8.886 -0.336 18375 9373 1 16 . 1 1 52 52 THR N N 52 119.910 119.910 118.306 1.604 18375 9374 1 16 . 1 1 52 52 THR HA H 52 4.600 4.600 4.734 -0.134 18375 9375 1 16 . 1 1 52 52 THR CA C 52 60.140 60.140 60.264 -0.124 18375 9376 1 16 . 1 1 52 52 THR CB C 52 71.890 71.890 70.728 1.162 18375 9377 1 16 . 1 1 52 52 THR H H 52 8.500 8.500 8.219 0.281 18375 9378 1 16 . 1 1 53 53 PRO HA H 53 2.920 2.920 4.127 -1.207 18375 9379 1 16 . 1 1 53 53 PRO C C 53 175.410 175.410 175.640 -0.230 18375 9380 1 16 . 1 1 53 53 PRO CA C 53 62.460 62.460 62.738 -0.278 18375 9381 1 16 . 1 1 53 53 PRO CB C 53 33.410 33.410 32.461 0.949 18375 9382 1 16 . 1 1 54 54 SER N N 54 108.990 108.990 115.165 -6.175 18375 9383 1 16 . 1 1 54 54 SER HA H 54 4.300 4.300 4.401 -0.101 18375 9384 1 16 . 1 1 54 54 SER C C 54 172.380 172.380 172.723 -0.343 18375 9385 1 16 . 1 1 54 54 SER CA C 54 58.270 58.270 57.215 1.055 18375 9386 1 16 . 1 1 54 54 SER CB C 54 66.620 66.620 64.417 2.203 18375 9387 1 16 . 1 1 54 54 SER H H 54 6.000 6.000 7.749 -1.749 18375 9388 1 16 . 1 1 55 55 LYS N N 55 124.470 124.470 122.099 2.371 18375 9389 1 16 . 1 1 55 55 LYS HA H 55 3.500 3.500 3.720 -0.220 18375 9390 1 16 . 1 1 55 55 LYS C C 55 177.150 177.150 177.338 -0.188 18375 9391 1 16 . 1 1 55 55 LYS CA C 55 59.850 59.850 58.411 1.439 18375 9392 1 16 . 1 1 55 55 LYS CB C 55 33.010 33.010 31.797 1.213 18375 9393 1 16 . 1 1 55 55 LYS H H 55 8.860 8.860 8.495 0.365 18375 9394 1 16 . 1 1 56 56 GLY N N 56 116.710 116.710 114.189 2.521 18375 9395 1 16 . 1 1 56 56 GLY C C 56 173.430 173.430 173.506 -0.076 18375 9396 1 16 . 1 1 56 56 GLY CA C 56 45.600 45.600 44.896 0.704 18375 9397 1 16 . 1 1 56 56 GLY H H 56 8.950 8.950 8.703 0.247 18375 9398 1 16 . 1 1 57 57 ALA N N 57 118.940 118.940 122.232 -3.292 18375 9399 1 16 . 1 1 57 57 ALA HA H 57 4.630 4.630 4.851 -0.221 18375 9400 1 16 . 1 1 57 57 ALA C C 57 174.570 174.570 175.927 -1.357 18375 9401 1 16 . 1 1 57 57 ALA CA C 57 51.840 51.840 50.862 0.978 18375 9402 1 16 . 1 1 57 57 ALA CB C 57 20.960 20.960 21.187 -0.227 18375 9403 1 16 . 1 1 57 57 ALA H H 57 7.420 7.420 7.995 -0.575 18375 9404 1 16 . 1 1 58 58 ILE N N 58 117.340 117.340 114.850 2.490 18375 9405 1 16 . 1 1 58 58 ILE HA H 58 4.720 4.720 4.830 -0.110 18375 9406 1 16 . 1 1 58 58 ILE C C 58 176.920 176.920 174.961 1.959 18375 9407 1 16 . 1 1 58 58 ILE CA C 58 60.910 60.910 59.558 1.352 18375 9408 1 16 . 1 1 58 58 ILE CB C 58 41.820 41.820 41.191 0.628 18375 9409 1 16 . 1 1 58 58 ILE H H 58 8.350 8.350 8.357 -0.007 18375 9410 1 16 . 1 1 59 59 LEU N N 59 112.330 112.330 118.873 -6.543 18375 9411 1 16 . 1 1 59 59 LEU HA H 59 4.220 4.220 4.748 -0.528 18375 9412 1 16 . 1 1 59 59 LEU C C 59 174.530 174.530 174.659 -0.129 18375 9413 1 16 . 1 1 59 59 LEU CA C 59 56.430 56.430 53.199 3.231 18375 9414 1 16 . 1 1 59 59 LEU CB C 59 44.160 44.160 45.527 -1.367 18375 9415 1 16 . 1 1 59 59 LEU H H 59 8.430 8.430 7.466 0.964 18375 9416 1 16 . 1 1 60 60 GLN N N 60 111.170 111.170 120.314 -9.144 18375 9417 1 16 . 1 1 60 60 GLN HA H 60 4.970 4.970 4.821 0.149 18375 9418 1 16 . 1 1 60 60 GLN C C 60 172.980 172.980 173.496 -0.516 18375 9419 1 16 . 1 1 60 60 GLN CA C 60 56.720 56.720 55.093 1.627 18375 9420 1 16 . 1 1 60 60 GLN CB C 60 30.950 30.950 31.735 -0.785 18375 9421 1 16 . 1 1 60 60 GLN H H 60 9.490 9.490 8.247 1.243 18375 9422 1 16 . 1 1 61 61 SER N N 61 118.550 118.550 118.051 0.499 18375 9423 1 16 . 1 1 61 61 SER HA H 61 4.940 4.940 4.957 -0.017 18375 9424 1 16 . 1 1 61 61 SER C C 61 174.370 174.370 174.933 -0.563 18375 9425 1 16 . 1 1 61 61 SER CA C 61 56.570 56.570 55.470 1.100 18375 9426 1 16 . 1 1 61 61 SER CB C 61 67.130 67.130 64.448 2.682 18375 9427 1 16 . 1 1 61 61 SER H H 61 8.800 8.800 8.084 0.716 18375 9428 1 16 . 1 1 62 62 SER N N 62 120.910 120.910 120.966 -0.056 18375 9429 1 16 . 1 1 62 62 SER HA H 62 4.540 4.540 4.418 0.122 18375 9430 1 16 . 1 1 62 62 SER C C 62 173.560 173.560 174.919 -1.359 18375 9431 1 16 . 1 1 62 62 SER CA C 62 59.270 59.270 60.277 -1.007 18375 9432 1 16 . 1 1 62 62 SER CB C 62 64.390 64.390 63.441 0.950 18375 9433 1 16 . 1 1 62 62 SER H H 62 8.900 8.900 8.740 0.160 18375 9434 1 16 . 1 1 63 63 GLU N N 63 121.810 121.810 119.187 2.623 18375 9435 1 16 . 1 1 63 63 GLU HA H 63 4.220 4.220 4.586 -0.366 18375 9436 1 16 . 1 1 63 63 GLU C C 63 176.030 176.030 175.931 0.099 18375 9437 1 16 . 1 1 63 63 GLU CA C 63 57.840 57.840 55.749 2.091 18375 9438 1 16 . 1 1 63 63 GLU CB C 63 32.170 32.170 31.783 0.387 18375 9439 1 16 . 1 1 63 63 GLU H H 63 8.040 8.040 7.416 0.624 18375 9440 1 16 . 1 1 64 64 GLY N N 64 125.900 125.900 107.092 18.808 18375 9441 1 16 . 1 1 64 64 GLY CA C 64 45.490 45.490 44.392 1.098 18375 9442 1 16 . 1 1 64 64 GLY H H 64 8.200 8.200 8.273 -0.073 18375 9443 1 16 . 1 1 65 65 PRO HA H 65 4.040 4.040 4.406 -0.366 18375 9444 1 16 . 1 1 65 65 PRO C C 65 177.870 177.870 176.144 1.726 18375 9445 1 16 . 1 1 65 65 PRO CA C 65 65.610 65.610 64.616 0.994 18375 9446 1 16 . 1 1 65 65 PRO CB C 65 32.160 32.160 31.982 0.178 18375 9447 1 16 . 1 1 66 66 PHE N N 66 112.970 112.970 113.328 -0.358 18375 9448 1 16 . 1 1 66 66 PHE HA H 66 4.920 4.920 4.853 0.067 18375 9449 1 16 . 1 1 66 66 PHE C C 66 176.190 176.190 174.289 1.901 18375 9450 1 16 . 1 1 66 66 PHE CA C 66 57.420 57.420 56.124 1.296 18375 9451 1 16 . 1 1 66 66 PHE CB C 66 42.360 42.360 38.833 3.527 18375 9452 1 16 . 1 1 66 66 PHE H H 66 8.490 8.490 7.425 1.065 18375 9453 1 16 . 1 1 67 67 GLY N N 67 124.370 124.370 109.268 15.102 18375 9454 1 16 . 1 1 67 67 GLY C C 67 172.480 172.480 172.515 -0.035 18375 9455 1 16 . 1 1 67 67 GLY CA C 67 46.860 46.860 44.553 2.307 18375 9456 1 16 . 1 1 67 67 GLY H H 67 6.940 6.940 7.600 -0.660 18375 9457 1 16 . 1 1 68 68 HIS N N 68 117.820 117.820 119.372 -1.552 18375 9458 1 16 . 1 1 68 68 HIS HA H 68 5.020 5.020 4.860 0.160 18375 9459 1 16 . 1 1 68 68 HIS C C 68 173.790 173.790 172.909 0.881 18375 9460 1 16 . 1 1 68 68 HIS CA C 68 58.230 58.230 54.454 3.776 18375 9461 1 16 . 1 1 68 68 HIS CB C 68 36.120 36.120 31.802 4.318 18375 9462 1 16 . 1 1 68 68 HIS H H 68 8.590 8.590 8.197 0.393 18375 9463 1 16 . 1 1 69 69 VAL N N 69 116.830 116.830 121.992 -5.162 18375 9464 1 16 . 1 1 69 69 VAL HA H 69 5.320 5.320 4.419 0.901 18375 9465 1 16 . 1 1 69 69 VAL C C 69 173.060 173.060 173.681 -0.621 18375 9466 1 16 . 1 1 69 69 VAL CA C 69 58.940 58.940 59.494 -0.554 18375 9467 1 16 . 1 1 69 69 VAL CB C 69 37.700 37.700 33.570 4.130 18375 9468 1 16 . 1 1 69 69 VAL H H 69 6.040 6.040 7.763 -1.723 18375 9469 1 16 . 1 1 70 70 ALA N N 70 120.820 120.820 129.083 -8.263 18375 9470 1 16 . 1 1 70 70 ALA HA H 70 4.510 4.510 4.566 -0.056 18375 9471 1 16 . 1 1 70 70 ALA C C 70 173.870 173.870 175.827 -1.957 18375 9472 1 16 . 1 1 70 70 ALA CA C 70 51.560 51.560 50.439 1.121 18375 9473 1 16 . 1 1 70 70 ALA CB C 70 26.390 26.390 21.242 5.148 18375 9474 1 16 . 1 1 70 70 ALA H H 70 8.890 8.890 7.756 1.134 18375 9475 1 16 . 1 1 71 71 TYR N N 71 121.640 121.640 125.747 -4.107 18375 9476 1 16 . 1 1 71 71 TYR HA H 71 4.890 4.890 4.416 0.474 18375 9477 1 16 . 1 1 71 71 TYR C C 71 174.620 174.620 174.632 -0.012 18375 9478 1 16 . 1 1 71 71 TYR CA C 71 58.140 58.140 58.843 -0.703 18375 9479 1 16 . 1 1 71 71 TYR CB C 71 42.850 42.850 39.371 3.479 18375 9480 1 16 . 1 1 71 71 TYR H H 71 9.310 9.310 8.443 0.867 18375 9481 1 16 . 1 1 72 72 VAL N N 72 126.010 126.010 127.302 -1.292 18375 9482 1 16 . 1 1 72 72 VAL HA H 72 3.880 3.880 3.795 0.085 18375 9483 1 16 . 1 1 72 72 VAL C C 72 174.250 174.250 175.318 -1.068 18375 9484 1 16 . 1 1 72 72 VAL CA C 72 64.970 64.970 62.357 2.613 18375 9485 1 16 . 1 1 72 72 VAL CB C 72 31.470 31.470 31.716 -0.246 18375 9486 1 16 . 1 1 72 72 VAL H H 72 8.230 8.230 8.639 -0.409 18375 9487 1 16 . 1 1 73 73 GLU N N 73 112.690 112.690 129.072 -16.382 18375 9488 1 16 . 1 1 73 73 GLU HA H 73 4.250 4.250 4.238 0.012 18375 9489 1 16 . 1 1 73 73 GLU C C 73 178.020 178.020 176.186 1.834 18375 9490 1 16 . 1 1 73 73 GLU CA C 73 58.400 58.400 57.342 1.058 18375 9491 1 16 . 1 1 73 73 GLU CB C 73 31.050 31.050 31.345 -0.295 18375 9492 1 16 . 1 1 73 73 GLU H H 73 8.820 8.820 8.569 0.251 18375 9493 1 16 . 1 1 74 74 SER N N 74 125.880 125.880 109.500 16.380 18375 9494 1 16 . 1 1 74 74 SER HA H 74 4.330 4.330 4.566 -0.236 18375 9495 1 16 . 1 1 74 74 SER C C 74 172.030 172.030 172.161 -0.131 18375 9496 1 16 . 1 1 74 74 SER CA C 74 59.220 59.220 58.092 1.128 18375 9497 1 16 . 1 1 74 74 SER CB C 74 65.620 65.620 65.081 0.539 18375 9498 1 16 . 1 1 74 74 SER H H 74 7.900 7.900 7.625 0.275 18375 9499 1 16 . 1 1 75 75 VAL N N 75 122.760 122.760 122.072 0.688 18375 9500 1 16 . 1 1 75 75 VAL HA H 75 4.320 4.320 4.106 0.214 18375 9501 1 16 . 1 1 75 75 VAL C C 75 176.270 176.270 175.452 0.818 18375 9502 1 16 . 1 1 75 75 VAL CA C 75 63.380 63.380 61.184 2.196 18375 9503 1 16 . 1 1 75 75 VAL CB C 75 32.750 32.750 33.093 -0.343 18375 9504 1 16 . 1 1 75 75 VAL H H 75 8.400 8.400 8.443 -0.043 18375 9505 1 16 . 1 1 76 76 ASN N N 76 125.270 125.270 126.719 -1.449 18375 9506 1 16 . 1 1 76 76 ASN HA H 76 4.790 4.790 4.910 -0.120 18375 9507 1 16 . 1 1 76 76 ASN CA C 76 54.260 54.260 52.405 1.855 18375 9508 1 16 . 1 1 76 76 ASN CB C 76 39.960 39.960 39.300 0.660 18375 9509 1 16 . 1 1 76 76 ASN H H 76 9.080 9.080 8.991 0.089 18375 9510 1 16 . 1 1 77 77 SER HA H 77 4.130 4.130 4.368 -0.238 18375 9511 1 16 . 1 1 77 77 SER C C 77 174.410 174.410 174.462 -0.052 18375 9512 1 16 . 1 1 77 77 SER CA C 77 62.670 62.670 60.558 2.112 18375 9513 1 16 . 1 1 77 77 SER CB C 77 63.600 63.600 62.965 0.635 18375 9514 1 16 . 1 1 78 78 ASP N N 78 118.590 118.590 119.728 -1.138 18375 9515 1 16 . 1 1 78 78 ASP HA H 78 4.580 4.580 4.666 -0.086 18375 9516 1 16 . 1 1 78 78 ASP C C 78 176.790 176.790 176.931 -0.141 18375 9517 1 16 . 1 1 78 78 ASP CA C 78 53.960 53.960 54.162 -0.202 18375 9518 1 16 . 1 1 78 78 ASP CB C 78 40.880 40.880 40.372 0.508 18375 9519 1 16 . 1 1 78 78 ASP H H 78 7.980 7.980 8.047 -0.067 18375 9520 1 16 . 1 1 79 79 GLY N N 79 109.220 109.220 107.711 1.509 18375 9521 1 16 . 1 1 79 79 GLY C C 79 173.470 173.470 174.068 -0.598 18375 9522 1 16 . 1 1 79 79 GLY CA C 79 46.050 46.050 45.370 0.680 18375 9523 1 16 . 1 1 79 79 GLY H H 79 8.180 8.180 7.646 0.534 18375 9524 1 16 . 1 1 80 80 SER N N 80 114.200 114.200 117.983 -3.783 18375 9525 1 16 . 1 1 80 80 SER HA H 80 4.350 4.350 4.951 -0.601 18375 9526 1 16 . 1 1 80 80 SER C C 80 172.630 172.630 174.099 -1.469 18375 9527 1 16 . 1 1 80 80 SER CA C 80 59.580 59.580 58.739 0.841 18375 9528 1 16 . 1 1 80 80 SER CB C 80 65.710 65.710 63.941 1.769 18375 9529 1 16 . 1 1 80 80 SER H H 80 7.930 7.930 7.654 0.276 18375 9530 1 16 . 1 1 81 81 VAL N N 81 118.060 118.060 124.015 -5.955 18375 9531 1 16 . 1 1 81 81 VAL HA H 81 4.690 4.690 4.263 0.427 18375 9532 1 16 . 1 1 81 81 VAL C C 81 175.220 175.220 175.635 -0.415 18375 9533 1 16 . 1 1 81 81 VAL CA C 81 61.980 61.980 60.951 1.029 18375 9534 1 16 . 1 1 81 81 VAL CB C 81 36.810 36.810 32.896 3.914 18375 9535 1 16 . 1 1 81 81 VAL H H 81 8.820 8.820 8.900 -0.080 18375 9536 1 16 . 1 1 82 82 THR N N 82 125.170 125.170 124.907 0.263 18375 9537 1 16 . 1 1 82 82 THR HA H 82 5.190 5.190 4.537 0.653 18375 9538 1 16 . 1 1 82 82 THR C C 82 174.150 174.150 173.911 0.239 18375 9539 1 16 . 1 1 82 82 THR CA C 82 63.440 63.440 63.182 0.258 18375 9540 1 16 . 1 1 82 82 THR CB C 82 70.520 70.520 68.657 1.863 18375 9541 1 16 . 1 1 82 82 THR H H 82 9.020 9.020 8.974 0.046 18375 9542 1 16 . 1 1 83 83 ILE N N 83 120.970 120.970 123.530 -2.560 18375 9543 1 16 . 1 1 83 83 ILE HA H 83 5.640 5.640 5.067 0.573 18375 9544 1 16 . 1 1 83 83 ILE C C 83 175.030 175.030 173.713 1.317 18375 9545 1 16 . 1 1 83 83 ILE CA C 83 59.440 59.440 58.733 0.708 18375 9546 1 16 . 1 1 83 83 ILE CB C 83 42.170 42.170 41.395 0.775 18375 9547 1 16 . 1 1 83 83 ILE H H 83 9.280 9.280 8.238 1.042 18375 9548 1 16 . 1 1 84 84 SER N N 84 115.430 115.430 117.980 -2.550 18375 9549 1 16 . 1 1 84 84 SER HA H 84 5.590 5.590 4.974 0.616 18375 9550 1 16 . 1 1 84 84 SER C C 84 173.130 173.130 174.071 -0.941 18375 9551 1 16 . 1 1 84 84 SER CA C 84 58.050 58.050 57.220 0.830 18375 9552 1 16 . 1 1 84 84 SER CB C 84 67.140 67.140 64.542 2.598 18375 9553 1 16 . 1 1 84 84 SER H H 84 9.600 9.600 8.949 0.651 18375 9554 1 16 . 1 1 85 85 GLU N N 85 117.660 117.660 125.775 -8.115 18375 9555 1 16 . 1 1 85 85 GLU HA H 85 5.180 5.180 5.022 0.158 18375 9556 1 16 . 1 1 85 85 GLU C C 85 171.780 171.780 174.517 -2.737 18375 9557 1 16 . 1 1 85 85 GLU CA C 85 54.880 54.880 54.441 0.438 18375 9558 1 16 . 1 1 85 85 GLU CB C 85 33.540 33.540 32.704 0.836 18375 9559 1 16 . 1 1 85 85 GLU H H 85 8.800 8.800 8.022 0.778 18375 9560 1 16 . 1 1 86 86 MET N N 86 118.950 118.950 121.196 -2.246 18375 9561 1 16 . 1 1 86 86 MET HA H 86 5.250 5.250 4.496 0.754 18375 9562 1 16 . 1 1 86 86 MET C C 86 175.010 175.010 175.732 -0.722 18375 9563 1 16 . 1 1 86 86 MET CA C 86 53.880 53.880 54.544 -0.664 18375 9564 1 16 . 1 1 86 86 MET CB C 86 38.240 38.240 35.309 2.931 18375 9565 1 16 . 1 1 86 86 MET H H 86 8.490 8.490 8.707 -0.217 18375 9566 1 16 . 1 1 87 87 ASN N N 87 116.670 116.670 124.911 -8.241 18375 9567 1 16 . 1 1 87 87 ASN HA H 87 4.190 4.190 4.280 -0.090 18375 9568 1 16 . 1 1 87 87 ASN C C 87 174.810 174.810 176.179 -1.369 18375 9569 1 16 . 1 1 87 87 ASN CA C 87 54.520 54.520 56.172 -1.651 18375 9570 1 16 . 1 1 87 87 ASN CB C 87 39.330 39.330 37.361 1.969 18375 9571 1 16 . 1 1 87 87 ASN H H 87 8.250 8.250 9.056 -0.806 18375 9572 1 16 . 1 1 88 88 TYR N N 88 119.600 119.600 119.829 -0.229 18375 9573 1 16 . 1 1 88 88 TYR HA H 88 4.290 4.290 3.858 0.432 18375 9574 1 16 . 1 1 88 88 TYR C C 88 175.620 175.620 174.136 1.484 18375 9575 1 16 . 1 1 88 88 TYR CA C 88 60.720 60.720 61.050 -0.330 18375 9576 1 16 . 1 1 88 88 TYR CB C 88 41.430 41.430 37.424 4.006 18375 9577 1 16 . 1 1 88 88 TYR H H 88 8.940 8.940 8.710 0.230 18375 9578 1 16 . 1 1 89 89 SER N N 89 113.120 113.120 114.495 -1.375 18375 9579 1 16 . 1 1 89 89 SER HA H 89 4.320 4.320 4.456 -0.136 18375 9580 1 16 . 1 1 89 89 SER C C 89 174.860 174.860 174.501 0.359 18375 9581 1 16 . 1 1 89 89 SER CA C 89 58.690 58.690 57.453 1.238 18375 9582 1 16 . 1 1 89 89 SER CB C 89 65.140 65.140 65.408 -0.268 18375 9583 1 16 . 1 1 89 89 SER H H 89 8.060 8.060 8.048 0.012 18375 9584 1 16 . 1 1 90 90 GLY N N 90 110.450 110.450 115.228 -4.778 18375 9585 1 16 . 1 1 90 90 GLY C C 90 174.680 174.680 173.735 0.945 18375 9586 1 16 . 1 1 90 90 GLY CA C 90 45.950 45.950 45.029 0.921 18375 9587 1 16 . 1 1 90 90 GLY H H 90 8.180 8.180 8.427 -0.247 18375 9588 1 16 . 1 1 91 91 GLY N N 91 108.710 108.710 110.356 -1.646 18375 9589 1 16 . 1 1 91 91 GLY CA C 91 45.880 45.880 43.181 2.699 18375 9590 1 16 . 1 1 91 91 GLY H H 91 8.330 8.330 7.757 0.573 18375 9591 1 16 . 1 1 92 92 PRO HA H 92 4.040 4.040 4.514 -0.474 18375 9592 1 16 . 1 1 92 92 PRO C C 92 177.930 177.930 176.346 1.584 18375 9593 1 16 . 1 1 92 92 PRO CA C 92 64.710 64.710 62.294 2.416 18375 9594 1 16 . 1 1 92 92 PRO CB C 92 32.690 32.690 32.709 -0.020 18375 9595 1 16 . 1 1 93 93 PHE N N 93 113.220 113.220 117.855 -4.635 18375 9596 1 16 . 1 1 93 93 PHE HA H 93 4.480 4.480 4.070 0.410 18375 9597 1 16 . 1 1 93 93 PHE C C 93 174.490 174.490 175.743 -1.253 18375 9598 1 16 . 1 1 93 93 PHE CA C 93 62.890 62.890 59.410 3.481 18375 9599 1 16 . 1 1 93 93 PHE CB C 93 37.410 37.410 37.139 0.271 18375 9600 1 16 . 1 1 93 93 PHE H H 93 8.350 8.350 8.191 0.159 18375 9601 1 16 . 1 1 94 94 SER N N 94 115.680 115.680 116.856 -1.176 18375 9602 1 16 . 1 1 94 94 SER HA H 94 4.620 4.620 4.447 0.173 18375 9603 1 16 . 1 1 94 94 SER C C 94 174.290 174.290 174.932 -0.642 18375 9604 1 16 . 1 1 94 94 SER CA C 94 59.150 59.150 58.061 1.089 18375 9605 1 16 . 1 1 94 94 SER CB C 94 64.690 64.690 62.904 1.786 18375 9606 1 16 . 1 1 94 94 SER H H 94 7.980 7.980 7.852 0.128 18375 9607 1 16 . 1 1 95 95 VAL N N 95 112.520 112.520 127.278 -14.758 18375 9608 1 16 . 1 1 95 95 VAL HA H 95 4.830 4.830 3.862 0.968 18375 9609 1 16 . 1 1 95 95 VAL C C 95 175.770 175.770 176.323 -0.553 18375 9610 1 16 . 1 1 95 95 VAL CA C 95 62.520 62.520 62.669 -0.149 18375 9611 1 16 . 1 1 95 95 VAL CB C 95 34.010 34.010 30.759 3.251 18375 9612 1 16 . 1 1 95 95 VAL H H 95 8.840 8.840 8.139 0.701 18375 9613 1 16 . 1 1 96 96 SER N N 96 122.260 122.260 124.362 -2.102 18375 9614 1 16 . 1 1 96 96 SER HA H 96 4.810 4.810 4.400 0.410 18375 9615 1 16 . 1 1 96 96 SER C C 96 172.250 172.250 174.069 -1.819 18375 9616 1 16 . 1 1 96 96 SER CA C 96 58.080 58.080 57.833 0.247 18375 9617 1 16 . 1 1 96 96 SER CB C 96 66.590 66.590 62.302 4.288 18375 9618 1 16 . 1 1 96 96 SER H H 96 9.190 9.190 8.493 0.697 18375 9619 1 16 . 1 1 97 97 SER N N 97 112.810 112.810 124.069 -11.259 18375 9620 1 16 . 1 1 97 97 SER HA H 97 5.620 5.620 4.636 0.984 18375 9621 1 16 . 1 1 97 97 SER C C 97 174.130 174.130 174.326 -0.196 18375 9622 1 16 . 1 1 97 97 SER CA C 97 57.260 57.260 58.790 -1.530 18375 9623 1 16 . 1 1 97 97 SER CB C 97 66.740 66.740 62.683 4.057 18375 9624 1 16 . 1 1 97 97 SER H H 97 8.290 8.290 8.048 0.242 18375 9625 1 16 . 1 1 98 98 ARG N N 98 122.640 122.640 127.356 -4.716 18375 9626 1 16 . 1 1 98 98 ARG HA H 98 4.650 4.650 4.674 -0.024 18375 9627 1 16 . 1 1 98 98 ARG C C 98 174.030 174.030 174.523 -0.493 18375 9628 1 16 . 1 1 98 98 ARG CA C 98 56.640 56.640 54.868 1.772 18375 9629 1 16 . 1 1 98 98 ARG CB C 98 36.240 36.240 34.286 1.954 18375 9630 1 16 . 1 1 98 98 ARG H H 98 8.380 8.380 7.798 0.582 18375 9631 1 16 . 1 1 99 99 THR N N 99 118.220 118.220 117.456 0.764 18375 9632 1 16 . 1 1 99 99 THR HA H 99 5.280 5.280 5.141 0.139 18375 9633 1 16 . 1 1 99 99 THR C C 99 173.930 173.930 173.957 -0.027 18375 9634 1 16 . 1 1 99 99 THR CA C 99 62.820 62.820 61.444 1.376 18375 9635 1 16 . 1 1 99 99 THR CB C 99 71.360 71.360 69.727 1.633 18375 9636 1 16 . 1 1 99 99 THR H H 99 8.650 8.650 8.381 0.269 18375 9637 1 16 . 1 1 100 100 ILE N N 100 112.130 112.130 127.415 -15.285 18375 9638 1 16 . 1 1 100 100 ILE HA H 100 4.290 4.290 4.182 0.108 18375 9639 1 16 . 1 1 100 100 ILE C C 100 175.190 175.190 176.035 -0.845 18375 9640 1 16 . 1 1 100 100 ILE CA C 100 60.340 60.340 59.339 1.001 18375 9641 1 16 . 1 1 100 100 ILE CB C 100 40.390 40.390 37.821 2.569 18375 9642 1 16 . 1 1 100 100 ILE H H 100 9.560 9.560 8.852 0.708 18375 9643 1 16 . 1 1 101 101 SER N N 101 121.940 121.940 123.973 -2.033 18375 9644 1 16 . 1 1 101 101 SER HA H 101 4.120 4.120 4.406 -0.286 18375 9645 1 16 . 1 1 101 101 SER C C 101 174.230 174.230 175.585 -1.355 18375 9646 1 16 . 1 1 101 101 SER CA C 101 59.450 59.450 58.905 0.545 18375 9647 1 16 . 1 1 101 101 SER CB C 101 65.410 65.410 64.108 1.302 18375 9648 1 16 . 1 1 101 101 SER H H 101 8.860 8.860 8.718 0.142 18375 9649 1 16 . 1 1 102 102 ALA N N 102 123.870 123.870 128.279 -4.409 18375 9650 1 16 . 1 1 102 102 ALA HA H 102 3.910 3.910 3.903 0.007 18375 9651 1 16 . 1 1 102 102 ALA C C 102 170.440 170.440 179.301 -8.861 18375 9652 1 16 . 1 1 102 102 ALA CA C 102 56.360 56.360 55.104 1.256 18375 9653 1 16 . 1 1 102 102 ALA CB C 102 19.430 19.430 18.514 0.916 18375 9654 1 16 . 1 1 102 102 ALA H H 102 8.860 8.860 8.679 0.181 18375 9655 1 16 . 1 1 103 103 SER N N 103 109.980 109.980 113.815 -3.835 18375 9656 1 16 . 1 1 103 103 SER HA H 103 4.200 4.200 4.032 0.168 18375 9657 1 16 . 1 1 103 103 SER C C 103 176.050 176.050 175.738 0.312 18375 9658 1 16 . 1 1 103 103 SER CA C 103 61.680 61.680 61.088 0.592 18375 9659 1 16 . 1 1 103 103 SER CB C 103 63.640 63.640 62.578 1.062 18375 9660 1 16 . 1 1 103 103 SER H H 103 8.180 8.180 8.309 -0.129 18375 9661 1 16 . 1 1 104 104 GLU N N 104 121.250 121.250 119.185 2.065 18375 9662 1 16 . 1 1 104 104 GLU HA H 104 4.260 4.260 4.111 0.149 18375 9663 1 16 . 1 1 104 104 GLU C C 104 178.240 178.240 177.474 0.766 18375 9664 1 16 . 1 1 104 104 GLU CA C 104 57.960 57.960 56.841 1.119 18375 9665 1 16 . 1 1 104 104 GLU CB C 104 32.210 32.210 29.841 2.369 18375 9666 1 16 . 1 1 104 104 GLU H H 104 7.560 7.560 7.554 0.006 18375 9667 1 16 . 1 1 105 105 ALA N N 105 121.520 121.520 122.998 -1.478 18375 9668 1 16 . 1 1 105 105 ALA HA H 105 4.060 4.060 4.190 -0.130 18375 9669 1 16 . 1 1 105 105 ALA C C 105 170.230 170.230 179.517 -9.287 18375 9670 1 16 . 1 1 105 105 ALA CA C 105 57.080 57.080 54.823 2.257 18375 9671 1 16 . 1 1 105 105 ALA CB C 105 19.320 19.320 18.309 1.010 18375 9672 1 16 . 1 1 105 105 ALA H H 105 8.280 8.280 8.111 0.169 18375 9673 1 16 . 1 1 106 106 GLY N N 106 121.950 121.950 103.881 18.069 18375 9674 1 16 . 1 1 106 106 GLY C C 106 174.110 174.110 174.536 -0.426 18375 9675 1 16 . 1 1 106 106 GLY CA C 106 46.780 46.780 45.400 1.380 18375 9676 1 16 . 1 1 106 106 GLY H H 106 8.360 8.360 7.914 0.446 18375 9677 1 16 . 1 1 107 107 ASN N N 107 117.130 117.130 118.446 -1.316 18375 9678 1 16 . 1 1 107 107 ASN HA H 107 4.480 4.480 4.548 -0.068 18375 9679 1 16 . 1 1 107 107 ASN C C 107 175.110 175.110 176.020 -0.910 18375 9680 1 16 . 1 1 107 107 ASN CA C 107 54.220 54.220 54.703 -0.483 18375 9681 1 16 . 1 1 107 107 ASN CB C 107 38.890 38.890 39.744 -0.854 18375 9682 1 16 . 1 1 107 107 ASN H H 107 7.830 7.830 7.278 0.552 18375 9683 1 16 . 1 1 108 108 TYR N N 108 117.300 117.300 119.580 -2.280 18375 9684 1 16 . 1 1 108 108 TYR HA H 108 4.620 4.620 4.516 0.104 18375 9685 1 16 . 1 1 108 108 TYR C C 108 174.810 174.810 176.445 -1.635 18375 9686 1 16 . 1 1 108 108 TYR CA C 108 58.700 58.700 59.064 -0.364 18375 9687 1 16 . 1 1 108 108 TYR CB C 108 41.260 41.260 37.246 4.014 18375 9688 1 16 . 1 1 108 108 TYR H H 108 7.020 7.020 7.944 -0.924 18375 9689 1 16 . 1 1 109 109 ASN N N 109 117.260 117.260 120.579 -3.319 18375 9690 1 16 . 1 1 109 109 ASN HA H 109 5.020 5.020 5.128 -0.108 18375 9691 1 16 . 1 1 109 109 ASN C C 109 173.590 173.590 174.388 -0.798 18375 9692 1 16 . 1 1 109 109 ASN CA C 109 53.140 53.140 53.366 -0.226 18375 9693 1 16 . 1 1 109 109 ASN CB C 109 41.590 41.590 40.306 1.284 18375 9694 1 16 . 1 1 109 109 ASN H H 109 7.910 7.910 8.434 -0.524 18375 9695 1 16 . 1 1 110 110 TYR N N 110 117.410 117.410 115.535 1.875 18375 9696 1 16 . 1 1 110 110 TYR HA H 110 5.300 5.300 5.088 0.212 18375 9697 1 16 . 1 1 110 110 TYR C C 110 174.450 174.450 173.221 1.229 18375 9698 1 16 . 1 1 110 110 TYR CA C 110 57.740 57.740 56.718 1.022 18375 9699 1 16 . 1 1 110 110 TYR CB C 110 41.580 41.580 41.159 0.421 18375 9700 1 16 . 1 1 110 110 TYR H H 110 9.340 9.340 8.879 0.461 18375 9701 1 16 . 1 1 111 111 ILE N N 111 123.080 123.080 117.049 6.031 18375 9702 1 16 . 1 1 111 111 ILE HA H 111 4.360 4.360 4.833 -0.473 18375 9703 1 16 . 1 1 111 111 ILE C C 111 175.250 175.250 174.019 1.231 18375 9704 1 16 . 1 1 111 111 ILE CA C 111 61.530 61.530 59.787 1.743 18375 9705 1 16 . 1 1 111 111 ILE CB C 111 40.560 40.560 41.244 -0.684 18375 9706 1 16 . 1 1 111 111 ILE H H 111 9.320 9.320 8.444 0.876 18375 9707 1 16 . 1 1 112 112 HIS N N 112 109.020 109.020 121.549 -12.529 18375 9708 1 16 . 1 1 112 112 HIS HA H 112 4.560 4.560 4.978 -0.418 18375 9709 1 16 . 1 1 112 112 HIS C C 112 173.980 173.980 174.631 -0.651 18375 9710 1 16 . 1 1 112 112 HIS CA C 112 57.550 57.550 54.127 3.423 18375 9711 1 16 . 1 1 112 112 HIS CB C 112 31.350 31.350 32.151 -0.801 18375 9712 1 16 . 1 1 112 112 HIS H H 112 8.710 8.710 8.221 0.489 18375 9713 1 17 . 1 1 3 3 SER HA H 3 4.510 4.510 4.724 -0.214 18375 9714 1 17 . 1 1 3 3 SER C C 3 174.460 174.460 173.746 0.714 18375 9715 1 17 . 1 1 3 3 SER CA C 3 59.400 59.400 58.363 1.037 18375 9716 1 17 . 1 1 3 3 SER CB C 3 64.820 64.820 63.423 1.397 18375 9717 1 17 . 1 1 4 4 ILE N N 4 121.890 121.890 123.170 -1.280 18375 9718 1 17 . 1 1 4 4 ILE HA H 4 4.210 4.210 4.256 -0.046 18375 9719 1 17 . 1 1 4 4 ILE C C 4 176.040 176.040 175.921 0.119 18375 9720 1 17 . 1 1 4 4 ILE CA C 4 62.180 62.180 61.824 0.356 18375 9721 1 17 . 1 1 4 4 ILE CB C 4 39.930 39.930 38.677 1.253 18375 9722 1 17 . 1 1 4 4 ILE H H 4 8.180 8.180 8.411 -0.231 18375 9723 1 17 . 1 1 5 5 SER N N 5 119.230 119.230 117.173 2.057 18375 9724 1 17 . 1 1 5 5 SER C C 5 174.290 174.290 173.813 0.477 18375 9725 1 17 . 1 1 5 5 SER CA C 5 59.140 59.140 57.934 1.206 18375 9726 1 17 . 1 1 5 5 SER CB C 5 64.930 64.930 63.747 1.183 18375 9727 1 17 . 1 1 5 5 SER H H 5 8.270 8.270 8.160 0.110 18375 9728 1 17 . 1 1 6 6 HIS HA H 6 4.650 4.650 4.536 0.114 18375 9729 1 17 . 1 1 6 6 HIS CA C 6 57.240 57.240 55.862 1.378 18375 9730 1 17 . 1 1 6 6 HIS CB C 6 31.150 31.150 29.383 1.767 18375 9731 1 17 . 1 1 7 7 SER N N 7 117.260 117.260 119.706 -2.446 18375 9732 1 17 . 1 1 7 7 SER HA H 7 4.430 4.430 4.324 0.106 18375 9733 1 17 . 1 1 7 7 SER C C 7 174.890 174.890 175.437 -0.547 18375 9734 1 17 . 1 1 7 7 SER CA C 7 59.750 59.750 58.705 1.046 18375 9735 1 17 . 1 1 7 7 SER CB C 7 64.890 64.890 63.841 1.049 18375 9736 1 17 . 1 1 7 7 SER H H 7 8.360 8.360 8.398 -0.038 18375 9737 1 17 . 1 1 8 8 GLY N N 8 110.140 110.140 112.462 -2.322 18375 9738 1 17 . 1 1 8 8 GLY C C 8 173.340 173.340 173.745 -0.405 18375 9739 1 17 . 1 1 8 8 GLY CA C 8 45.920 45.920 46.505 -0.585 18375 9740 1 17 . 1 1 8 8 GLY H H 8 8.500 8.500 9.055 -0.555 18375 9741 1 17 . 1 1 9 9 ASN N N 9 118.840 118.840 116.045 2.795 18375 9742 1 17 . 1 1 9 9 ASN HA H 9 3.430 3.430 5.188 -1.758 18375 9743 1 17 . 1 1 9 9 ASN C C 9 175.460 175.460 174.743 0.717 18375 9744 1 17 . 1 1 9 9 ASN CA C 9 53.400 53.400 52.894 0.506 18375 9745 1 17 . 1 1 9 9 ASN CB C 9 38.780 38.780 40.132 -1.352 18375 9746 1 17 . 1 1 9 9 ASN H H 9 8.280 8.280 8.029 0.251 18375 9747 1 17 . 1 1 10 10 LEU N N 10 125.560 125.560 123.921 1.639 18375 9748 1 17 . 1 1 10 10 LEU HA H 10 4.250 4.250 4.416 -0.166 18375 9749 1 17 . 1 1 10 10 LEU C C 10 177.320 177.320 176.769 0.551 18375 9750 1 17 . 1 1 10 10 LEU CA C 10 55.080 55.080 55.214 -0.134 18375 9751 1 17 . 1 1 10 10 LEU CB C 10 42.110 42.110 42.746 -0.636 18375 9752 1 17 . 1 1 10 10 LEU H H 10 6.850 6.850 8.136 -1.286 18375 9753 1 17 . 1 1 11 11 TYR N N 11 120.920 120.920 118.525 2.395 18375 9754 1 17 . 1 1 11 11 TYR HA H 11 4.350 4.350 4.403 -0.053 18375 9755 1 17 . 1 1 11 11 TYR C C 11 174.800 174.800 177.053 -2.253 18375 9756 1 17 . 1 1 11 11 TYR CA C 11 60.200 60.200 57.983 2.216 18375 9757 1 17 . 1 1 11 11 TYR CB C 11 38.520 38.520 39.856 -1.336 18375 9758 1 17 . 1 1 11 11 TYR H H 11 7.680 7.680 7.557 0.123 18375 9759 1 17 . 1 1 12 12 THR N N 12 118.320 118.320 115.721 2.599 18375 9760 1 17 . 1 1 12 12 THR HA H 12 3.680 3.680 3.783 -0.103 18375 9761 1 17 . 1 1 12 12 THR C C 12 173.180 173.180 172.976 0.204 18375 9762 1 17 . 1 1 12 12 THR CA C 12 65.310 65.310 64.648 0.662 18375 9763 1 17 . 1 1 12 12 THR CB C 12 70.080 70.080 68.935 1.145 18375 9764 1 17 . 1 1 12 12 THR H H 12 8.320 8.320 7.754 0.566 18375 9765 1 17 . 1 1 13 13 ALA N N 13 111.540 111.540 119.196 -7.656 18375 9766 1 17 . 1 1 13 13 ALA HA H 13 3.690 3.690 2.709 0.981 18375 9767 1 17 . 1 1 13 13 ALA CA C 13 53.700 53.700 51.413 2.287 18375 9768 1 17 . 1 1 13 13 ALA H H 13 8.150 8.150 7.467 0.683 18375 9769 1 17 . 1 1 14 14 GLY N N 14 109.410 109.410 105.967 3.443 18375 9770 1 17 . 1 1 14 14 GLY C C 14 173.310 173.310 174.332 -1.022 18375 9771 1 17 . 1 1 14 14 GLY CA C 14 44.150 44.150 44.576 -0.426 18375 9772 1 17 . 1 1 14 14 GLY H H 14 4.990 4.990 6.077 -1.087 18375 9773 1 17 . 1 1 15 15 GLN N N 15 115.720 115.720 118.798 -3.078 18375 9774 1 17 . 1 1 15 15 GLN HA H 15 4.410 4.410 4.270 0.140 18375 9775 1 17 . 1 1 15 15 GLN C C 15 176.310 176.310 177.371 -1.061 18375 9776 1 17 . 1 1 15 15 GLN CA C 15 55.570 55.570 56.271 -0.701 18375 9777 1 17 . 1 1 15 15 GLN CB C 15 31.180 31.180 29.471 1.709 18375 9778 1 17 . 1 1 15 15 GLN H H 15 7.170 7.170 7.845 -0.675 18375 9779 1 17 . 1 1 16 16 CYS N N 16 118.020 118.020 117.661 0.359 18375 9780 1 17 . 1 1 16 16 CYS HA H 16 4.590 4.590 4.458 0.132 18375 9781 1 17 . 1 1 16 16 CYS C C 16 176.730 176.730 177.000 -0.270 18375 9782 1 17 . 1 1 16 16 CYS CA C 16 61.050 61.050 61.538 -0.488 18375 9783 1 17 . 1 1 16 16 CYS CB C 16 28.600 28.600 28.178 0.422 18375 9784 1 17 . 1 1 16 16 CYS H H 16 9.300 9.300 9.197 0.103 18375 9785 1 17 . 1 1 17 17 THR N N 17 113.910 113.910 114.430 -0.520 18375 9786 1 17 . 1 1 17 17 THR HA H 17 3.180 3.180 4.376 -1.196 18375 9787 1 17 . 1 1 17 17 THR C C 17 174.260 174.260 176.253 -1.993 18375 9788 1 17 . 1 1 17 17 THR CA C 17 62.800 62.800 65.219 -2.419 18375 9789 1 17 . 1 1 17 17 THR CB C 17 69.000 69.000 68.509 0.491 18375 9790 1 17 . 1 1 17 17 THR H H 17 7.300 7.300 8.476 -1.176 18375 9791 1 17 . 1 1 18 18 TRP N N 18 123.650 123.650 124.759 -1.109 18375 9792 1 17 . 1 1 18 18 TRP HA H 18 4.380 4.380 4.619 -0.239 18375 9793 1 17 . 1 1 18 18 TRP C C 18 177.910 177.910 177.540 0.370 18375 9794 1 17 . 1 1 18 18 TRP CA C 18 61.600 61.600 60.718 0.882 18375 9795 1 17 . 1 1 18 18 TRP CB C 18 31.320 31.320 29.505 1.815 18375 9796 1 17 . 1 1 18 18 TRP H H 18 6.640 6.640 7.611 -0.971 18375 9797 1 17 . 1 1 19 19 TYR N N 19 115.660 115.660 120.380 -4.720 18375 9798 1 17 . 1 1 19 19 TYR HA H 19 4.120 4.120 4.008 0.112 18375 9799 1 17 . 1 1 19 19 TYR C C 19 177.170 177.170 177.666 -0.496 18375 9800 1 17 . 1 1 19 19 TYR CA C 19 61.370 61.370 62.203 -0.833 18375 9801 1 17 . 1 1 19 19 TYR CB C 19 42.110 42.110 38.778 3.332 18375 9802 1 17 . 1 1 19 19 TYR H H 19 7.680 7.680 9.058 -1.378 18375 9803 1 17 . 1 1 20 20 VAL N N 20 116.740 116.740 119.342 -2.602 18375 9804 1 17 . 1 1 20 20 VAL HA H 20 3.030 3.030 3.447 -0.417 18375 9805 1 17 . 1 1 20 20 VAL C C 20 176.410 176.410 177.759 -1.349 18375 9806 1 17 . 1 1 20 20 VAL CA C 20 68.360 68.360 67.087 1.273 18375 9807 1 17 . 1 1 20 20 VAL CB C 20 32.210 32.210 31.937 0.273 18375 9808 1 17 . 1 1 20 20 VAL H H 20 7.450 7.450 8.180 -0.730 18375 9809 1 17 . 1 1 21 21 TYR N N 21 118.550 118.550 120.586 -2.036 18375 9810 1 17 . 1 1 21 21 TYR HA H 21 3.560 3.560 4.201 -0.641 18375 9811 1 17 . 1 1 21 21 TYR C C 21 176.490 176.490 177.023 -0.533 18375 9812 1 17 . 1 1 21 21 TYR CA C 21 63.990 63.990 61.271 2.719 18375 9813 1 17 . 1 1 21 21 TYR CB C 21 38.970 38.970 38.301 0.669 18375 9814 1 17 . 1 1 21 21 TYR H H 21 8.370 8.370 7.705 0.665 18375 9815 1 17 . 1 1 22 22 ASP N N 22 115.760 115.760 118.657 -2.897 18375 9816 1 17 . 1 1 22 22 ASP HA H 22 4.260 4.260 4.054 0.206 18375 9817 1 17 . 1 1 22 22 ASP C C 22 169.690 169.690 178.298 -8.608 18375 9818 1 17 . 1 1 22 22 ASP CA C 22 58.010 58.010 56.688 1.323 18375 9819 1 17 . 1 1 22 22 ASP CB C 22 41.770 41.770 40.363 1.407 18375 9820 1 17 . 1 1 22 22 ASP H H 22 6.880 6.880 7.788 -0.908 18375 9821 1 17 . 1 1 23 23 LYS N N 23 121.790 121.790 117.364 4.426 18375 9822 1 17 . 1 1 23 23 LYS HA H 23 3.610 3.610 3.763 -0.153 18375 9823 1 17 . 1 1 23 23 LYS C C 23 178.360 178.360 178.805 -0.445 18375 9824 1 17 . 1 1 23 23 LYS CA C 23 57.990 57.990 57.449 0.541 18375 9825 1 17 . 1 1 23 23 LYS CB C 23 31.350 31.350 31.548 -0.198 18375 9826 1 17 . 1 1 23 23 LYS H H 23 7.820 7.820 7.495 0.325 18375 9827 1 17 . 1 1 24 24 VAL N N 24 108.790 108.790 111.186 -2.396 18375 9828 1 17 . 1 1 24 24 VAL HA H 24 4.390 4.390 4.104 0.286 18375 9829 1 17 . 1 1 24 24 VAL C C 24 176.840 176.840 176.135 0.705 18375 9830 1 17 . 1 1 24 24 VAL CA C 24 61.430 61.430 61.849 -0.419 18375 9831 1 17 . 1 1 24 24 VAL CB C 24 31.690 31.690 31.589 0.101 18375 9832 1 17 . 1 1 24 24 VAL H H 24 7.590 7.590 7.463 0.127 18375 9833 1 17 . 1 1 25 25 GLY N N 25 110.620 110.620 107.966 2.654 18375 9834 1 17 . 1 1 25 25 GLY C C 25 175.510 175.510 174.979 0.531 18375 9835 1 17 . 1 1 25 25 GLY CA C 25 47.110 47.110 45.069 2.041 18375 9836 1 17 . 1 1 25 25 GLY H H 25 7.680 7.680 7.218 0.462 18375 9837 1 17 . 1 1 26 26 GLY N N 26 122.410 122.410 106.772 15.638 18375 9838 1 17 . 1 1 26 26 GLY C C 26 174.470 174.470 174.570 -0.100 18375 9839 1 17 . 1 1 26 26 GLY CA C 26 46.440 46.440 44.889 1.551 18375 9840 1 17 . 1 1 26 26 GLY H H 26 7.870 7.870 7.903 -0.033 18375 9841 1 17 . 1 1 27 27 GLU N N 27 116.720 116.720 118.828 -2.108 18375 9842 1 17 . 1 1 27 27 GLU HA H 27 4.150 4.150 4.175 -0.025 18375 9843 1 17 . 1 1 27 27 GLU C C 27 175.810 175.810 176.117 -0.307 18375 9844 1 17 . 1 1 27 27 GLU CA C 27 58.110 58.110 57.514 0.596 18375 9845 1 17 . 1 1 27 27 GLU CB C 27 30.500 30.500 30.268 0.232 18375 9846 1 17 . 1 1 27 27 GLU H H 27 6.650 6.650 7.452 -0.802 18375 9847 1 17 . 1 1 28 28 ILE N N 28 125.210 125.210 115.147 10.063 18375 9848 1 17 . 1 1 28 28 ILE HA H 28 4.040 4.040 4.493 -0.453 18375 9849 1 17 . 1 1 28 28 ILE CA C 28 60.160 60.160 60.413 -0.253 18375 9850 1 17 . 1 1 28 28 ILE CB C 28 40.940 40.940 39.338 1.602 18375 9851 1 17 . 1 1 28 28 ILE H H 28 6.330 6.330 7.769 -1.439 18375 9852 1 17 . 1 1 29 29 GLY C C 29 174.050 174.050 175.310 -1.260 18375 9853 1 17 . 1 1 29 29 GLY CA C 29 46.190 46.190 46.509 -0.319 18375 9854 1 17 . 1 1 30 30 SER N N 30 115.530 115.530 114.997 0.533 18375 9855 1 17 . 1 1 30 30 SER HA H 30 4.140 4.140 3.214 0.926 18375 9856 1 17 . 1 1 30 30 SER C C 30 174.000 174.000 174.135 -0.135 18375 9857 1 17 . 1 1 30 30 SER CA C 30 60.180 60.180 60.232 -0.052 18375 9858 1 17 . 1 1 30 30 SER CB C 30 65.150 65.150 61.873 3.277 18375 9859 1 17 . 1 1 30 30 SER H H 30 8.540 8.540 8.005 0.535 18375 9860 1 17 . 1 1 31 31 THR N N 31 124.440 124.440 114.849 9.591 18375 9861 1 17 . 1 1 31 31 THR HA H 31 4.460 4.460 4.469 -0.009 18375 9862 1 17 . 1 1 31 31 THR C C 31 175.390 175.390 174.798 0.592 18375 9863 1 17 . 1 1 31 31 THR CA C 31 61.350 61.350 60.112 1.238 18375 9864 1 17 . 1 1 31 31 THR CB C 31 69.190 69.190 69.198 -0.008 18375 9865 1 17 . 1 1 31 31 THR H H 31 7.070 7.070 8.099 -1.029 18375 9866 1 17 . 1 1 32 32 TRP N N 32 121.120 121.120 120.416 0.704 18375 9867 1 17 . 1 1 32 32 TRP HA H 32 4.470 4.470 4.353 0.117 18375 9868 1 17 . 1 1 32 32 TRP C C 32 175.720 175.720 176.568 -0.848 18375 9869 1 17 . 1 1 32 32 TRP CA C 32 57.500 57.500 55.892 1.608 18375 9870 1 17 . 1 1 32 32 TRP CB C 32 28.670 28.670 27.961 0.709 18375 9871 1 17 . 1 1 32 32 TRP H H 32 7.750 7.750 7.330 0.420 18375 9872 1 17 . 1 1 33 33 GLY N N 33 125.330 125.330 109.442 15.888 18375 9873 1 17 . 1 1 33 33 GLY C C 33 175.520 175.520 173.417 2.103 18375 9874 1 17 . 1 1 33 33 GLY CA C 33 46.390 46.390 45.633 0.757 18375 9875 1 17 . 1 1 33 33 GLY H H 33 8.580 8.580 8.110 0.470 18375 9876 1 17 . 1 1 34 34 ASN N N 34 118.870 118.870 122.169 -3.299 18375 9877 1 17 . 1 1 34 34 ASN HA H 34 4.720 4.720 5.063 -0.343 18375 9878 1 17 . 1 1 34 34 ASN C C 34 175.710 175.710 175.985 -0.275 18375 9879 1 17 . 1 1 34 34 ASN CA C 34 54.630 54.630 51.932 2.698 18375 9880 1 17 . 1 1 34 34 ASN CB C 34 40.050 40.050 41.073 -1.023 18375 9881 1 17 . 1 1 34 34 ASN H H 34 8.780 8.780 8.167 0.613 18375 9882 1 17 . 1 1 35 35 ALA N N 35 121.960 121.960 123.307 -1.347 18375 9883 1 17 . 1 1 35 35 ALA HA H 35 2.920 2.920 3.736 -0.816 18375 9884 1 17 . 1 1 35 35 ALA C C 35 169.710 169.710 179.000 -9.290 18375 9885 1 17 . 1 1 35 35 ALA CA C 35 55.950 55.950 55.255 0.695 18375 9886 1 17 . 1 1 35 35 ALA CB C 35 20.460 20.460 18.643 1.817 18375 9887 1 17 . 1 1 35 35 ALA H H 35 8.750 8.750 8.623 0.127 18375 9888 1 17 . 1 1 36 36 ASN N N 36 114.940 114.940 116.613 -1.673 18375 9889 1 17 . 1 1 36 36 ASN HA H 36 4.170 4.170 4.620 -0.450 18375 9890 1 17 . 1 1 36 36 ASN C C 36 175.200 175.200 175.776 -0.576 18375 9891 1 17 . 1 1 36 36 ASN CA C 36 55.930 55.930 54.292 1.638 18375 9892 1 17 . 1 1 36 36 ASN CB C 36 36.690 36.690 38.413 -1.723 18375 9893 1 17 . 1 1 36 36 ASN H H 36 8.410 8.410 8.346 0.064 18375 9894 1 17 . 1 1 37 37 ASN N N 37 120.180 120.180 117.117 3.063 18375 9895 1 17 . 1 1 37 37 ASN HA H 37 5.060 5.060 5.011 0.049 18375 9896 1 17 . 1 1 37 37 ASN C C 37 176.530 176.530 175.407 1.123 18375 9897 1 17 . 1 1 37 37 ASN CA C 37 54.250 54.250 51.888 2.362 18375 9898 1 17 . 1 1 37 37 ASN CB C 37 41.720 41.720 39.103 2.617 18375 9899 1 17 . 1 1 37 37 ASN H H 37 8.850 8.850 7.685 1.165 18375 9900 1 17 . 1 1 38 38 TRP N N 38 118.410 118.410 123.902 -5.492 18375 9901 1 17 . 1 1 38 38 TRP HA H 38 4.190 4.190 4.227 -0.037 18375 9902 1 17 . 1 1 38 38 TRP C C 38 177.390 177.390 177.948 -0.558 18375 9903 1 17 . 1 1 38 38 TRP CA C 38 63.450 63.450 62.693 0.757 18375 9904 1 17 . 1 1 38 38 TRP CB C 38 29.680 29.680 28.813 0.867 18375 9905 1 17 . 1 1 38 38 TRP H H 38 8.240 8.240 8.279 -0.039 18375 9906 1 17 . 1 1 39 39 ALA N N 39 118.400 118.400 120.813 -2.413 18375 9907 1 17 . 1 1 39 39 ALA HA H 39 3.770 3.770 3.929 -0.159 18375 9908 1 17 . 1 1 39 39 ALA C C 39 178.580 178.580 179.518 -0.938 18375 9909 1 17 . 1 1 39 39 ALA CA C 39 56.760 56.760 55.798 0.962 18375 9910 1 17 . 1 1 39 39 ALA CB C 39 18.020 18.020 17.470 0.550 18375 9911 1 17 . 1 1 39 39 ALA H H 39 7.150 7.150 8.410 -1.260 18375 9912 1 17 . 1 1 40 40 ALA N N 40 121.830 121.830 121.117 0.713 18375 9913 1 17 . 1 1 40 40 ALA HA H 40 3.990 3.990 4.132 -0.142 18375 9914 1 17 . 1 1 40 40 ALA C C 40 171.320 171.320 179.612 -8.292 18375 9915 1 17 . 1 1 40 40 ALA CA C 40 55.610 55.610 54.459 1.151 18375 9916 1 17 . 1 1 40 40 ALA CB C 40 18.840 18.840 18.359 0.481 18375 9917 1 17 . 1 1 40 40 ALA H H 40 8.060 8.060 8.171 -0.111 18375 9918 1 17 . 1 1 41 41 ALA N N 41 122.200 122.200 120.744 1.456 18375 9919 1 17 . 1 1 41 41 ALA HA H 41 3.630 3.630 3.977 -0.347 18375 9920 1 17 . 1 1 41 41 ALA C C 41 170.110 170.110 179.082 -8.972 18375 9921 1 17 . 1 1 41 41 ALA CA C 41 55.240 55.240 54.643 0.597 18375 9922 1 17 . 1 1 41 41 ALA CB C 41 18.020 18.020 18.778 -0.758 18375 9923 1 17 . 1 1 41 41 ALA H H 41 8.250 8.250 8.086 0.164 18375 9924 1 17 . 1 1 42 42 ALA N N 42 119.600 119.600 121.354 -1.754 18375 9925 1 17 . 1 1 42 42 ALA HA H 42 3.270 3.270 3.346 -0.076 18375 9926 1 17 . 1 1 42 42 ALA C C 42 170.160 170.160 179.778 -9.618 18375 9927 1 17 . 1 1 42 42 ALA CA C 42 55.480 55.480 54.782 0.698 18375 9928 1 17 . 1 1 42 42 ALA CB C 42 19.890 19.890 18.171 1.719 18375 9929 1 17 . 1 1 42 42 ALA H H 42 7.710 7.710 8.830 -1.120 18375 9930 1 17 . 1 1 43 43 GLN N N 43 118.750 118.750 117.861 0.889 18375 9931 1 17 . 1 1 43 43 GLN HA H 43 4.340 4.340 4.217 0.123 18375 9932 1 17 . 1 1 43 43 GLN C C 43 170.980 170.980 178.956 -7.976 18375 9933 1 17 . 1 1 43 43 GLN CA C 43 60.200 60.200 58.060 2.140 18375 9934 1 17 . 1 1 43 43 GLN CB C 43 29.710 29.710 28.872 0.838 18375 9935 1 17 . 1 1 43 43 GLN H H 43 7.880 7.880 8.391 -0.511 18375 9936 1 17 . 1 1 44 44 GLY N N 44 125.760 125.760 107.054 18.706 18375 9937 1 17 . 1 1 44 44 GLY C C 44 174.300 174.300 174.834 -0.534 18375 9938 1 17 . 1 1 44 44 GLY CA C 44 47.660 47.660 46.199 1.461 18375 9939 1 17 . 1 1 44 44 GLY H H 44 8.010 8.010 7.617 0.393 18375 9940 1 17 . 1 1 45 45 ALA N N 45 121.480 121.480 122.606 -1.126 18375 9941 1 17 . 1 1 45 45 ALA HA H 45 4.620 4.620 4.267 0.353 18375 9942 1 17 . 1 1 45 45 ALA C C 45 177.190 177.190 177.657 -0.467 18375 9943 1 17 . 1 1 45 45 ALA CA C 45 52.680 52.680 52.365 0.314 18375 9944 1 17 . 1 1 45 45 ALA CB C 45 20.560 20.560 19.673 0.887 18375 9945 1 17 . 1 1 45 45 ALA H H 45 7.540 7.540 7.480 0.060 18375 9946 1 17 . 1 1 46 46 GLY N N 46 123.690 123.690 104.919 18.771 18375 9947 1 17 . 1 1 46 46 GLY C C 46 174.980 174.980 173.866 1.114 18375 9948 1 17 . 1 1 46 46 GLY CA C 46 46.540 46.540 44.699 1.841 18375 9949 1 17 . 1 1 46 46 GLY H H 46 7.680 7.680 7.741 -0.061 18375 9950 1 17 . 1 1 47 47 PHE N N 47 119.960 119.960 119.845 0.115 18375 9951 1 17 . 1 1 47 47 PHE HA H 47 4.620 4.620 5.102 -0.482 18375 9952 1 17 . 1 1 47 47 PHE C C 47 176.120 176.120 176.263 -0.143 18375 9953 1 17 . 1 1 47 47 PHE CA C 47 59.000 59.000 54.472 4.528 18375 9954 1 17 . 1 1 47 47 PHE CB C 47 40.350 40.350 39.593 0.757 18375 9955 1 17 . 1 1 47 47 PHE H H 47 8.280 8.280 8.010 0.270 18375 9956 1 17 . 1 1 48 48 THR N N 48 120.680 120.680 119.975 0.705 18375 9957 1 17 . 1 1 48 48 THR HA H 48 4.190 4.190 4.591 -0.401 18375 9958 1 17 . 1 1 48 48 THR C C 48 173.000 173.000 173.740 -0.740 18375 9959 1 17 . 1 1 48 48 THR CA C 48 65.150 65.150 61.916 3.234 18375 9960 1 17 . 1 1 48 48 THR CB C 48 70.530 70.530 68.942 1.588 18375 9961 1 17 . 1 1 48 48 THR H H 48 9.260 9.260 8.730 0.530 18375 9962 1 17 . 1 1 49 49 VAL N N 49 111.320 111.320 125.480 -14.160 18375 9963 1 17 . 1 1 49 49 VAL HA H 49 5.380 5.380 4.832 0.548 18375 9964 1 17 . 1 1 49 49 VAL C C 49 175.570 175.570 175.229 0.341 18375 9965 1 17 . 1 1 49 49 VAL CA C 49 61.510 61.510 61.128 0.382 18375 9966 1 17 . 1 1 49 49 VAL CB C 49 34.960 34.960 32.085 2.875 18375 9967 1 17 . 1 1 49 49 VAL H H 49 8.560 8.560 8.785 -0.225 18375 9968 1 17 . 1 1 50 50 ASN N N 50 125.000 125.000 122.760 2.240 18375 9969 1 17 . 1 1 50 50 ASN HA H 50 4.800 4.800 4.726 0.074 18375 9970 1 17 . 1 1 50 50 ASN C C 50 174.270 174.270 174.947 -0.677 18375 9971 1 17 . 1 1 50 50 ASN CA C 50 53.430 53.430 53.283 0.147 18375 9972 1 17 . 1 1 50 50 ASN CB C 50 39.100 39.100 39.551 -0.451 18375 9973 1 17 . 1 1 50 50 ASN H H 50 9.010 9.010 8.949 0.061 18375 9974 1 17 . 1 1 51 51 HIS N N 51 114.650 114.650 123.272 -8.622 18375 9975 1 17 . 1 1 51 51 HIS HA H 51 5.760 5.760 4.506 1.254 18375 9976 1 17 . 1 1 51 51 HIS C C 51 174.060 174.060 175.279 -1.219 18375 9977 1 17 . 1 1 51 51 HIS CA C 51 56.360 56.360 56.795 -0.435 18375 9978 1 17 . 1 1 51 51 HIS CB C 51 29.980 29.980 30.674 -0.694 18375 9979 1 17 . 1 1 51 51 HIS H H 51 8.550 8.550 7.829 0.721 18375 9980 1 17 . 1 1 52 52 THR N N 52 119.910 119.910 123.470 -3.560 18375 9981 1 17 . 1 1 52 52 THR HA H 52 4.600 4.600 4.136 0.464 18375 9982 1 17 . 1 1 52 52 THR CA C 52 60.140 60.140 62.715 -2.575 18375 9983 1 17 . 1 1 52 52 THR CB C 52 71.890 71.890 68.708 3.182 18375 9984 1 17 . 1 1 52 52 THR H H 52 8.500 8.500 8.281 0.219 18375 9985 1 17 . 1 1 53 53 PRO HA H 53 2.920 2.920 4.494 -1.574 18375 9986 1 17 . 1 1 53 53 PRO C C 53 175.410 175.410 175.516 -0.106 18375 9987 1 17 . 1 1 53 53 PRO CA C 53 62.460 62.460 63.736 -1.276 18375 9988 1 17 . 1 1 53 53 PRO CB C 53 33.410 33.410 32.192 1.218 18375 9989 1 17 . 1 1 54 54 SER N N 54 108.990 108.990 115.315 -6.325 18375 9990 1 17 . 1 1 54 54 SER HA H 54 4.300 4.300 4.733 -0.433 18375 9991 1 17 . 1 1 54 54 SER C C 54 172.380 172.380 172.922 -0.542 18375 9992 1 17 . 1 1 54 54 SER CA C 54 58.270 58.270 56.633 1.637 18375 9993 1 17 . 1 1 54 54 SER CB C 54 66.620 66.620 67.128 -0.508 18375 9994 1 17 . 1 1 54 54 SER H H 54 6.000 6.000 8.202 -2.202 18375 9995 1 17 . 1 1 55 55 LYS N N 55 124.470 124.470 121.272 3.198 18375 9996 1 17 . 1 1 55 55 LYS HA H 55 3.500 3.500 4.069 -0.569 18375 9997 1 17 . 1 1 55 55 LYS C C 55 177.150 177.150 177.597 -0.447 18375 9998 1 17 . 1 1 55 55 LYS CA C 55 59.850 59.850 56.890 2.960 18375 9999 1 17 . 1 1 55 55 LYS CB C 55 33.010 33.010 32.486 0.524 18375 10000 1 17 . 1 1 55 55 LYS H H 55 8.860 8.860 8.495 0.365 18375 10001 1 17 . 1 1 56 56 GLY N N 56 116.710 116.710 110.161 6.549 18375 10002 1 17 . 1 1 56 56 GLY C C 56 173.430 173.430 173.079 0.351 18375 10003 1 17 . 1 1 56 56 GLY CA C 56 45.600 45.600 45.220 0.380 18375 10004 1 17 . 1 1 56 56 GLY H H 56 8.950 8.950 8.429 0.521 18375 10005 1 17 . 1 1 57 57 ALA N N 57 118.940 118.940 120.320 -1.380 18375 10006 1 17 . 1 1 57 57 ALA HA H 57 4.630 4.630 4.521 0.109 18375 10007 1 17 . 1 1 57 57 ALA C C 57 174.570 174.570 174.591 -0.021 18375 10008 1 17 . 1 1 57 57 ALA CA C 57 51.840 51.840 50.733 1.107 18375 10009 1 17 . 1 1 57 57 ALA CB C 57 20.960 20.960 20.723 0.237 18375 10010 1 17 . 1 1 57 57 ALA H H 57 7.420 7.420 7.104 0.316 18375 10011 1 17 . 1 1 58 58 ILE N N 58 117.340 117.340 116.760 0.580 18375 10012 1 17 . 1 1 58 58 ILE HA H 58 4.720 4.720 4.569 0.151 18375 10013 1 17 . 1 1 58 58 ILE C C 58 176.920 176.920 173.834 3.086 18375 10014 1 17 . 1 1 58 58 ILE CA C 58 60.910 60.910 60.491 0.419 18375 10015 1 17 . 1 1 58 58 ILE CB C 58 41.820 41.820 42.613 -0.793 18375 10016 1 17 . 1 1 58 58 ILE H H 58 8.350 8.350 7.794 0.556 18375 10017 1 17 . 1 1 59 59 LEU N N 59 112.330 112.330 123.457 -11.127 18375 10018 1 17 . 1 1 59 59 LEU HA H 59 4.220 4.220 4.743 -0.523 18375 10019 1 17 . 1 1 59 59 LEU C C 59 174.530 174.530 174.195 0.335 18375 10020 1 17 . 1 1 59 59 LEU CA C 59 56.430 56.430 53.134 3.296 18375 10021 1 17 . 1 1 59 59 LEU CB C 59 44.160 44.160 45.028 -0.868 18375 10022 1 17 . 1 1 59 59 LEU H H 59 8.430 8.430 8.612 -0.182 18375 10023 1 17 . 1 1 60 60 GLN N N 60 111.170 111.170 126.536 -15.366 18375 10024 1 17 . 1 1 60 60 GLN HA H 60 4.970 4.970 5.387 -0.417 18375 10025 1 17 . 1 1 60 60 GLN C C 60 172.980 172.980 174.830 -1.850 18375 10026 1 17 . 1 1 60 60 GLN CA C 60 56.720 56.720 53.759 2.961 18375 10027 1 17 . 1 1 60 60 GLN CB C 60 30.950 30.950 32.162 -1.212 18375 10028 1 17 . 1 1 60 60 GLN H H 60 9.490 9.490 8.179 1.311 18375 10029 1 17 . 1 1 61 61 SER N N 61 118.550 118.550 120.635 -2.085 18375 10030 1 17 . 1 1 61 61 SER HA H 61 4.940 4.940 5.099 -0.159 18375 10031 1 17 . 1 1 61 61 SER C C 61 174.370 174.370 175.603 -1.233 18375 10032 1 17 . 1 1 61 61 SER CA C 61 56.570 56.570 55.882 0.688 18375 10033 1 17 . 1 1 61 61 SER CB C 61 67.130 67.130 65.273 1.857 18375 10034 1 17 . 1 1 61 61 SER H H 61 8.800 8.800 8.950 -0.150 18375 10035 1 17 . 1 1 62 62 SER N N 62 120.910 120.910 121.185 -0.275 18375 10036 1 17 . 1 1 62 62 SER HA H 62 4.540 4.540 4.499 0.041 18375 10037 1 17 . 1 1 62 62 SER C C 62 173.560 173.560 174.989 -1.429 18375 10038 1 17 . 1 1 62 62 SER CA C 62 59.270 59.270 59.464 -0.194 18375 10039 1 17 . 1 1 62 62 SER CB C 62 64.390 64.390 63.442 0.948 18375 10040 1 17 . 1 1 62 62 SER H H 62 8.900 8.900 8.858 0.042 18375 10041 1 17 . 1 1 63 63 GLU N N 63 121.810 121.810 121.357 0.453 18375 10042 1 17 . 1 1 63 63 GLU HA H 63 4.220 4.220 4.541 -0.321 18375 10043 1 17 . 1 1 63 63 GLU C C 63 176.030 176.030 175.785 0.245 18375 10044 1 17 . 1 1 63 63 GLU CA C 63 57.840 57.840 55.950 1.890 18375 10045 1 17 . 1 1 63 63 GLU CB C 63 32.170 32.170 31.187 0.983 18375 10046 1 17 . 1 1 63 63 GLU H H 63 8.040 8.040 7.565 0.475 18375 10047 1 17 . 1 1 64 64 GLY N N 64 125.900 125.900 108.043 17.857 18375 10048 1 17 . 1 1 64 64 GLY CA C 64 45.490 45.490 44.242 1.248 18375 10049 1 17 . 1 1 64 64 GLY H H 64 8.200 8.200 8.270 -0.070 18375 10050 1 17 . 1 1 65 65 PRO HA H 65 4.040 4.040 4.134 -0.094 18375 10051 1 17 . 1 1 65 65 PRO C C 65 177.870 177.870 176.267 1.603 18375 10052 1 17 . 1 1 65 65 PRO CA C 65 65.610 65.610 64.427 1.183 18375 10053 1 17 . 1 1 65 65 PRO CB C 65 32.160 32.160 31.789 0.371 18375 10054 1 17 . 1 1 66 66 PHE N N 66 112.970 112.970 115.098 -2.128 18375 10055 1 17 . 1 1 66 66 PHE HA H 66 4.920 4.920 4.790 0.130 18375 10056 1 17 . 1 1 66 66 PHE C C 66 176.190 176.190 175.325 0.865 18375 10057 1 17 . 1 1 66 66 PHE CA C 66 57.420 57.420 56.916 0.504 18375 10058 1 17 . 1 1 66 66 PHE CB C 66 42.360 42.360 39.605 2.755 18375 10059 1 17 . 1 1 66 66 PHE H H 66 8.490 8.490 7.819 0.671 18375 10060 1 17 . 1 1 67 67 GLY N N 67 124.370 124.370 107.536 16.834 18375 10061 1 17 . 1 1 67 67 GLY C C 67 172.480 172.480 173.500 -1.020 18375 10062 1 17 . 1 1 67 67 GLY CA C 67 46.860 46.860 44.697 2.163 18375 10063 1 17 . 1 1 67 67 GLY H H 67 6.940 6.940 7.783 -0.843 18375 10064 1 17 . 1 1 68 68 HIS N N 68 117.820 117.820 119.185 -1.365 18375 10065 1 17 . 1 1 68 68 HIS HA H 68 5.020 5.020 4.840 0.180 18375 10066 1 17 . 1 1 68 68 HIS C C 68 173.790 173.790 174.232 -0.442 18375 10067 1 17 . 1 1 68 68 HIS CA C 68 58.230 58.230 55.190 3.040 18375 10068 1 17 . 1 1 68 68 HIS CB C 68 36.120 36.120 31.331 4.790 18375 10069 1 17 . 1 1 68 68 HIS H H 68 8.590 8.590 8.091 0.499 18375 10070 1 17 . 1 1 69 69 VAL N N 69 116.830 116.830 120.421 -3.591 18375 10071 1 17 . 1 1 69 69 VAL HA H 69 5.320 5.320 5.068 0.252 18375 10072 1 17 . 1 1 69 69 VAL C C 69 173.060 173.060 174.118 -1.058 18375 10073 1 17 . 1 1 69 69 VAL CA C 69 58.940 58.940 59.319 -0.379 18375 10074 1 17 . 1 1 69 69 VAL CB C 69 37.700 37.700 32.508 5.192 18375 10075 1 17 . 1 1 69 69 VAL H H 69 6.040 6.040 8.174 -2.134 18375 10076 1 17 . 1 1 70 70 ALA N N 70 120.820 120.820 129.315 -8.495 18375 10077 1 17 . 1 1 70 70 ALA HA H 70 4.510 4.510 4.674 -0.164 18375 10078 1 17 . 1 1 70 70 ALA C C 70 173.870 173.870 175.737 -1.867 18375 10079 1 17 . 1 1 70 70 ALA CA C 70 51.560 51.560 50.048 1.512 18375 10080 1 17 . 1 1 70 70 ALA CB C 70 26.390 26.390 21.569 4.821 18375 10081 1 17 . 1 1 70 70 ALA H H 70 8.890 8.890 8.608 0.282 18375 10082 1 17 . 1 1 71 71 TYR N N 71 121.640 121.640 127.528 -5.888 18375 10083 1 17 . 1 1 71 71 TYR HA H 71 4.890 4.890 4.475 0.415 18375 10084 1 17 . 1 1 71 71 TYR C C 71 174.620 174.620 174.370 0.250 18375 10085 1 17 . 1 1 71 71 TYR CA C 71 58.140 58.140 58.059 0.081 18375 10086 1 17 . 1 1 71 71 TYR CB C 71 42.850 42.850 39.276 3.574 18375 10087 1 17 . 1 1 71 71 TYR H H 71 9.310 9.310 8.413 0.897 18375 10088 1 17 . 1 1 72 72 VAL N N 72 126.010 126.010 127.342 -1.332 18375 10089 1 17 . 1 1 72 72 VAL HA H 72 3.880 3.880 3.915 -0.035 18375 10090 1 17 . 1 1 72 72 VAL C C 72 174.250 174.250 175.930 -1.680 18375 10091 1 17 . 1 1 72 72 VAL CA C 72 64.970 64.970 61.967 3.003 18375 10092 1 17 . 1 1 72 72 VAL CB C 72 31.470 31.470 30.627 0.844 18375 10093 1 17 . 1 1 72 72 VAL H H 72 8.230 8.230 8.518 -0.288 18375 10094 1 17 . 1 1 73 73 GLU N N 73 112.690 112.690 128.200 -15.510 18375 10095 1 17 . 1 1 73 73 GLU HA H 73 4.250 4.250 4.022 0.228 18375 10096 1 17 . 1 1 73 73 GLU C C 73 178.020 178.020 176.610 1.410 18375 10097 1 17 . 1 1 73 73 GLU CA C 73 58.400 58.400 58.393 0.007 18375 10098 1 17 . 1 1 73 73 GLU CB C 73 31.050 31.050 30.671 0.379 18375 10099 1 17 . 1 1 73 73 GLU H H 73 8.820 8.820 8.672 0.148 18375 10100 1 17 . 1 1 74 74 SER N N 74 125.880 125.880 110.196 15.684 18375 10101 1 17 . 1 1 74 74 SER HA H 74 4.330 4.330 4.605 -0.275 18375 10102 1 17 . 1 1 74 74 SER C C 74 172.030 172.030 171.627 0.403 18375 10103 1 17 . 1 1 74 74 SER CA C 74 59.220 59.220 57.953 1.267 18375 10104 1 17 . 1 1 74 74 SER CB C 74 65.620 65.620 65.303 0.317 18375 10105 1 17 . 1 1 74 74 SER H H 74 7.900 7.900 7.554 0.346 18375 10106 1 17 . 1 1 75 75 VAL N N 75 122.760 122.760 120.904 1.856 18375 10107 1 17 . 1 1 75 75 VAL HA H 75 4.320 4.320 4.190 0.130 18375 10108 1 17 . 1 1 75 75 VAL C C 75 176.270 176.270 174.624 1.646 18375 10109 1 17 . 1 1 75 75 VAL CA C 75 63.380 63.380 60.855 2.525 18375 10110 1 17 . 1 1 75 75 VAL CB C 75 32.750 32.750 33.468 -0.718 18375 10111 1 17 . 1 1 75 75 VAL H H 75 8.400 8.400 8.483 -0.083 18375 10112 1 17 . 1 1 76 76 ASN N N 76 125.270 125.270 126.188 -0.918 18375 10113 1 17 . 1 1 76 76 ASN HA H 76 4.790 4.790 4.935 -0.145 18375 10114 1 17 . 1 1 76 76 ASN CA C 76 54.260 54.260 52.733 1.527 18375 10115 1 17 . 1 1 76 76 ASN CB C 76 39.960 39.960 39.655 0.305 18375 10116 1 17 . 1 1 76 76 ASN H H 76 9.080 9.080 8.974 0.106 18375 10117 1 17 . 1 1 77 77 SER HA H 77 4.130 4.130 4.362 -0.233 18375 10118 1 17 . 1 1 77 77 SER C C 77 174.410 174.410 174.183 0.227 18375 10119 1 17 . 1 1 77 77 SER CA C 77 62.670 62.670 60.669 2.001 18375 10120 1 17 . 1 1 77 77 SER CB C 77 63.600 63.600 62.891 0.709 18375 10121 1 17 . 1 1 78 78 ASP N N 78 118.590 118.590 118.280 0.310 18375 10122 1 17 . 1 1 78 78 ASP HA H 78 4.580 4.580 4.803 -0.223 18375 10123 1 17 . 1 1 78 78 ASP C C 78 176.790 176.790 176.920 -0.130 18375 10124 1 17 . 1 1 78 78 ASP CA C 78 53.960 53.960 53.891 0.069 18375 10125 1 17 . 1 1 78 78 ASP CB C 78 40.880 40.880 41.197 -0.317 18375 10126 1 17 . 1 1 78 78 ASP H H 78 7.980 7.980 8.266 -0.286 18375 10127 1 17 . 1 1 79 79 GLY N N 79 109.220 109.220 107.418 1.802 18375 10128 1 17 . 1 1 79 79 GLY C C 79 173.470 173.470 173.451 0.019 18375 10129 1 17 . 1 1 79 79 GLY CA C 79 46.050 46.050 45.063 0.987 18375 10130 1 17 . 1 1 79 79 GLY H H 79 8.180 8.180 7.730 0.450 18375 10131 1 17 . 1 1 80 80 SER N N 80 114.200 114.200 116.848 -2.648 18375 10132 1 17 . 1 1 80 80 SER HA H 80 4.350 4.350 4.897 -0.547 18375 10133 1 17 . 1 1 80 80 SER C C 80 172.630 172.630 174.362 -1.732 18375 10134 1 17 . 1 1 80 80 SER CA C 80 59.580 59.580 57.804 1.776 18375 10135 1 17 . 1 1 80 80 SER CB C 80 65.710 65.710 64.694 1.016 18375 10136 1 17 . 1 1 80 80 SER H H 80 7.930 7.930 7.569 0.361 18375 10137 1 17 . 1 1 81 81 VAL N N 81 118.060 118.060 117.665 0.395 18375 10138 1 17 . 1 1 81 81 VAL HA H 81 4.690 4.690 4.692 -0.002 18375 10139 1 17 . 1 1 81 81 VAL C C 81 175.220 175.220 175.117 0.103 18375 10140 1 17 . 1 1 81 81 VAL CA C 81 61.980 61.980 60.112 1.868 18375 10141 1 17 . 1 1 81 81 VAL CB C 81 36.810 36.810 33.675 3.135 18375 10142 1 17 . 1 1 81 81 VAL H H 81 8.820 8.820 8.794 0.026 18375 10143 1 17 . 1 1 82 82 THR N N 82 125.170 125.170 122.520 2.650 18375 10144 1 17 . 1 1 82 82 THR HA H 82 5.190 5.190 4.574 0.616 18375 10145 1 17 . 1 1 82 82 THR C C 82 174.150 174.150 173.970 0.180 18375 10146 1 17 . 1 1 82 82 THR CA C 82 63.440 63.440 62.996 0.444 18375 10147 1 17 . 1 1 82 82 THR CB C 82 70.520 70.520 68.802 1.718 18375 10148 1 17 . 1 1 82 82 THR H H 82 9.020 9.020 8.674 0.346 18375 10149 1 17 . 1 1 83 83 ILE N N 83 120.970 120.970 123.618 -2.648 18375 10150 1 17 . 1 1 83 83 ILE HA H 83 5.640 5.640 5.039 0.601 18375 10151 1 17 . 1 1 83 83 ILE C C 83 175.030 175.030 173.918 1.112 18375 10152 1 17 . 1 1 83 83 ILE CA C 83 59.440 59.440 58.620 0.820 18375 10153 1 17 . 1 1 83 83 ILE CB C 83 42.170 42.170 41.528 0.642 18375 10154 1 17 . 1 1 83 83 ILE H H 83 9.280 9.280 8.147 1.133 18375 10155 1 17 . 1 1 84 84 SER N N 84 115.430 115.430 116.910 -1.480 18375 10156 1 17 . 1 1 84 84 SER HA H 84 5.590 5.590 5.210 0.380 18375 10157 1 17 . 1 1 84 84 SER C C 84 173.130 173.130 173.203 -0.073 18375 10158 1 17 . 1 1 84 84 SER CA C 84 58.050 58.050 57.365 0.685 18375 10159 1 17 . 1 1 84 84 SER CB C 84 67.140 67.140 65.808 1.332 18375 10160 1 17 . 1 1 84 84 SER H H 84 9.600 9.600 8.866 0.734 18375 10161 1 17 . 1 1 85 85 GLU N N 85 117.660 117.660 125.083 -7.423 18375 10162 1 17 . 1 1 85 85 GLU HA H 85 5.180 5.180 4.871 0.309 18375 10163 1 17 . 1 1 85 85 GLU C C 85 171.780 171.780 174.689 -2.909 18375 10164 1 17 . 1 1 85 85 GLU CA C 85 54.880 54.880 54.863 0.017 18375 10165 1 17 . 1 1 85 85 GLU CB C 85 33.540 33.540 31.720 1.820 18375 10166 1 17 . 1 1 85 85 GLU H H 85 8.800 8.800 8.090 0.710 18375 10167 1 17 . 1 1 86 86 MET N N 86 118.950 118.950 125.943 -6.993 18375 10168 1 17 . 1 1 86 86 MET HA H 86 5.250 5.250 4.543 0.707 18375 10169 1 17 . 1 1 86 86 MET C C 86 175.010 175.010 177.140 -2.130 18375 10170 1 17 . 1 1 86 86 MET CA C 86 53.880 53.880 55.859 -1.979 18375 10171 1 17 . 1 1 86 86 MET CB C 86 38.240 38.240 32.937 5.303 18375 10172 1 17 . 1 1 86 86 MET H H 86 8.490 8.490 8.718 -0.228 18375 10173 1 17 . 1 1 87 87 ASN N N 87 116.670 116.670 122.550 -5.880 18375 10174 1 17 . 1 1 87 87 ASN HA H 87 4.190 4.190 4.426 -0.236 18375 10175 1 17 . 1 1 87 87 ASN C C 87 174.810 174.810 176.641 -1.831 18375 10176 1 17 . 1 1 87 87 ASN CA C 87 54.520 54.520 56.432 -1.912 18375 10177 1 17 . 1 1 87 87 ASN CB C 87 39.330 39.330 37.468 1.863 18375 10178 1 17 . 1 1 87 87 ASN H H 87 8.250 8.250 8.220 0.030 18375 10179 1 17 . 1 1 88 88 TYR N N 88 119.600 119.600 118.252 1.348 18375 10180 1 17 . 1 1 88 88 TYR HA H 88 4.290 4.290 4.070 0.220 18375 10181 1 17 . 1 1 88 88 TYR C C 88 175.620 175.620 174.464 1.156 18375 10182 1 17 . 1 1 88 88 TYR CA C 88 60.720 60.720 60.964 -0.244 18375 10183 1 17 . 1 1 88 88 TYR CB C 88 41.430 41.430 37.755 3.675 18375 10184 1 17 . 1 1 88 88 TYR H H 88 8.940 8.940 8.678 0.262 18375 10185 1 17 . 1 1 89 89 SER N N 89 113.120 113.120 116.063 -2.943 18375 10186 1 17 . 1 1 89 89 SER HA H 89 4.320 4.320 4.375 -0.055 18375 10187 1 17 . 1 1 89 89 SER C C 89 174.860 174.860 173.762 1.098 18375 10188 1 17 . 1 1 89 89 SER CA C 89 58.690 58.690 58.336 0.354 18375 10189 1 17 . 1 1 89 89 SER CB C 89 65.140 65.140 62.869 2.271 18375 10190 1 17 . 1 1 89 89 SER H H 89 8.060 8.060 8.045 0.015 18375 10191 1 17 . 1 1 90 90 GLY N N 90 110.450 110.450 114.090 -3.640 18375 10192 1 17 . 1 1 90 90 GLY C C 90 174.680 174.680 173.400 1.280 18375 10193 1 17 . 1 1 90 90 GLY CA C 90 45.950 45.950 46.208 -0.258 18375 10194 1 17 . 1 1 90 90 GLY H H 90 8.180 8.180 8.136 0.044 18375 10195 1 17 . 1 1 91 91 GLY N N 91 108.710 108.710 110.613 -1.903 18375 10196 1 17 . 1 1 91 91 GLY CA C 91 45.880 45.880 43.651 2.229 18375 10197 1 17 . 1 1 91 91 GLY H H 91 8.330 8.330 7.874 0.456 18375 10198 1 17 . 1 1 92 92 PRO HA H 92 4.040 4.040 4.255 -0.215 18375 10199 1 17 . 1 1 92 92 PRO C C 92 177.930 177.930 176.433 1.497 18375 10200 1 17 . 1 1 92 92 PRO CA C 92 64.710 64.710 63.445 1.265 18375 10201 1 17 . 1 1 92 92 PRO CB C 92 32.690 32.690 31.432 1.258 18375 10202 1 17 . 1 1 93 93 PHE N N 93 113.220 113.220 117.940 -4.720 18375 10203 1 17 . 1 1 93 93 PHE HA H 93 4.480 4.480 4.048 0.432 18375 10204 1 17 . 1 1 93 93 PHE C C 93 174.490 174.490 175.497 -1.007 18375 10205 1 17 . 1 1 93 93 PHE CA C 93 62.890 62.890 59.341 3.549 18375 10206 1 17 . 1 1 93 93 PHE CB C 93 37.410 37.410 37.182 0.228 18375 10207 1 17 . 1 1 93 93 PHE H H 93 8.350 8.350 8.004 0.346 18375 10208 1 17 . 1 1 94 94 SER N N 94 115.680 115.680 117.464 -1.784 18375 10209 1 17 . 1 1 94 94 SER HA H 94 4.620 4.620 4.455 0.165 18375 10210 1 17 . 1 1 94 94 SER C C 94 174.290 174.290 174.424 -0.134 18375 10211 1 17 . 1 1 94 94 SER CA C 94 59.150 59.150 58.921 0.229 18375 10212 1 17 . 1 1 94 94 SER CB C 94 64.690 64.690 62.650 2.040 18375 10213 1 17 . 1 1 94 94 SER H H 94 7.980 7.980 7.857 0.123 18375 10214 1 17 . 1 1 95 95 VAL N N 95 112.520 112.520 126.246 -13.726 18375 10215 1 17 . 1 1 95 95 VAL HA H 95 4.830 4.830 3.902 0.928 18375 10216 1 17 . 1 1 95 95 VAL C C 95 175.770 175.770 175.177 0.593 18375 10217 1 17 . 1 1 95 95 VAL CA C 95 62.520 62.520 62.544 -0.024 18375 10218 1 17 . 1 1 95 95 VAL CB C 95 34.010 34.010 31.628 2.382 18375 10219 1 17 . 1 1 95 95 VAL H H 95 8.840 8.840 8.015 0.825 18375 10220 1 17 . 1 1 96 96 SER N N 96 122.260 122.260 123.888 -1.628 18375 10221 1 17 . 1 1 96 96 SER HA H 96 4.810 4.810 4.400 0.410 18375 10222 1 17 . 1 1 96 96 SER C C 96 172.250 172.250 174.274 -2.024 18375 10223 1 17 . 1 1 96 96 SER CA C 96 58.080 58.080 58.350 -0.270 18375 10224 1 17 . 1 1 96 96 SER CB C 96 66.590 66.590 63.178 3.412 18375 10225 1 17 . 1 1 96 96 SER H H 96 9.190 9.190 8.894 0.296 18375 10226 1 17 . 1 1 97 97 SER N N 97 112.810 112.810 123.081 -10.271 18375 10227 1 17 . 1 1 97 97 SER HA H 97 5.620 5.620 4.533 1.087 18375 10228 1 17 . 1 1 97 97 SER C C 97 174.130 174.130 174.034 0.096 18375 10229 1 17 . 1 1 97 97 SER CA C 97 57.260 57.260 58.188 -0.928 18375 10230 1 17 . 1 1 97 97 SER CB C 97 66.740 66.740 63.487 3.253 18375 10231 1 17 . 1 1 97 97 SER H H 97 8.290 8.290 8.412 -0.122 18375 10232 1 17 . 1 1 98 98 ARG N N 98 122.640 122.640 127.147 -4.507 18375 10233 1 17 . 1 1 98 98 ARG HA H 98 4.650 4.650 4.607 0.043 18375 10234 1 17 . 1 1 98 98 ARG C C 98 174.030 174.030 174.244 -0.214 18375 10235 1 17 . 1 1 98 98 ARG CA C 98 56.640 56.640 55.693 0.947 18375 10236 1 17 . 1 1 98 98 ARG CB C 98 36.240 36.240 33.627 2.613 18375 10237 1 17 . 1 1 98 98 ARG H H 98 8.380 8.380 7.746 0.634 18375 10238 1 17 . 1 1 99 99 THR N N 99 118.220 118.220 120.353 -2.133 18375 10239 1 17 . 1 1 99 99 THR HA H 99 5.280 5.280 5.064 0.216 18375 10240 1 17 . 1 1 99 99 THR C C 99 173.930 173.930 173.888 0.042 18375 10241 1 17 . 1 1 99 99 THR CA C 99 62.820 62.820 61.472 1.348 18375 10242 1 17 . 1 1 99 99 THR CB C 99 71.360 71.360 69.934 1.426 18375 10243 1 17 . 1 1 99 99 THR H H 99 8.650 8.650 8.433 0.217 18375 10244 1 17 . 1 1 100 100 ILE N N 100 112.130 112.130 128.895 -16.765 18375 10245 1 17 . 1 1 100 100 ILE HA H 100 4.290 4.290 4.207 0.083 18375 10246 1 17 . 1 1 100 100 ILE C C 100 175.190 175.190 175.717 -0.527 18375 10247 1 17 . 1 1 100 100 ILE CA C 100 60.340 60.340 59.289 1.051 18375 10248 1 17 . 1 1 100 100 ILE CB C 100 40.390 40.390 37.447 2.943 18375 10249 1 17 . 1 1 100 100 ILE H H 100 9.560 9.560 8.561 0.999 18375 10250 1 17 . 1 1 101 101 SER N N 101 121.940 121.940 123.198 -1.258 18375 10251 1 17 . 1 1 101 101 SER HA H 101 4.120 4.120 4.423 -0.303 18375 10252 1 17 . 1 1 101 101 SER C C 101 174.230 174.230 175.430 -1.200 18375 10253 1 17 . 1 1 101 101 SER CA C 101 59.450 59.450 57.738 1.712 18375 10254 1 17 . 1 1 101 101 SER CB C 101 65.410 65.410 64.534 0.876 18375 10255 1 17 . 1 1 101 101 SER H H 101 8.860 8.860 8.680 0.180 18375 10256 1 17 . 1 1 102 102 ALA N N 102 123.870 123.870 130.550 -6.680 18375 10257 1 17 . 1 1 102 102 ALA HA H 102 3.910 3.910 4.020 -0.110 18375 10258 1 17 . 1 1 102 102 ALA C C 102 170.440 170.440 179.205 -8.765 18375 10259 1 17 . 1 1 102 102 ALA CA C 102 56.360 56.360 55.418 0.942 18375 10260 1 17 . 1 1 102 102 ALA CB C 102 19.430 19.430 18.718 0.712 18375 10261 1 17 . 1 1 102 102 ALA H H 102 8.860 8.860 9.026 -0.166 18375 10262 1 17 . 1 1 103 103 SER N N 103 109.980 109.980 113.044 -3.064 18375 10263 1 17 . 1 1 103 103 SER HA H 103 4.200 4.200 4.047 0.153 18375 10264 1 17 . 1 1 103 103 SER C C 103 176.050 176.050 176.528 -0.478 18375 10265 1 17 . 1 1 103 103 SER CA C 103 61.680 61.680 60.838 0.842 18375 10266 1 17 . 1 1 103 103 SER CB C 103 63.640 63.640 62.885 0.755 18375 10267 1 17 . 1 1 103 103 SER H H 103 8.180 8.180 8.133 0.047 18375 10268 1 17 . 1 1 104 104 GLU N N 104 121.250 121.250 122.740 -1.490 18375 10269 1 17 . 1 1 104 104 GLU HA H 104 4.260 4.260 3.974 0.286 18375 10270 1 17 . 1 1 104 104 GLU C C 104 178.240 178.240 178.961 -0.721 18375 10271 1 17 . 1 1 104 104 GLU CA C 104 57.960 57.960 58.634 -0.674 18375 10272 1 17 . 1 1 104 104 GLU CB C 104 32.210 32.210 29.569 2.641 18375 10273 1 17 . 1 1 104 104 GLU H H 104 7.560 7.560 8.212 -0.652 18375 10274 1 17 . 1 1 105 105 ALA N N 105 121.520 121.520 121.526 -0.006 18375 10275 1 17 . 1 1 105 105 ALA HA H 105 4.060 4.060 4.434 -0.374 18375 10276 1 17 . 1 1 105 105 ALA C C 105 170.230 170.230 180.124 -9.894 18375 10277 1 17 . 1 1 105 105 ALA CA C 105 57.080 57.080 54.699 2.381 18375 10278 1 17 . 1 1 105 105 ALA CB C 105 19.320 19.320 18.179 1.141 18375 10279 1 17 . 1 1 105 105 ALA H H 105 8.280 8.280 8.603 -0.323 18375 10280 1 17 . 1 1 106 106 GLY N N 106 121.950 121.950 105.753 16.197 18375 10281 1 17 . 1 1 106 106 GLY C C 106 174.110 174.110 175.361 -1.251 18375 10282 1 17 . 1 1 106 106 GLY CA C 106 46.780 46.780 46.249 0.531 18375 10283 1 17 . 1 1 106 106 GLY H H 106 8.360 8.360 7.941 0.419 18375 10284 1 17 . 1 1 107 107 ASN N N 107 117.130 117.130 117.076 0.054 18375 10285 1 17 . 1 1 107 107 ASN HA H 107 4.480 4.480 4.582 -0.102 18375 10286 1 17 . 1 1 107 107 ASN C C 107 175.110 175.110 175.139 -0.029 18375 10287 1 17 . 1 1 107 107 ASN CA C 107 54.220 54.220 53.214 1.006 18375 10288 1 17 . 1 1 107 107 ASN CB C 107 38.890 38.890 39.087 -0.197 18375 10289 1 17 . 1 1 107 107 ASN H H 107 7.830 7.830 7.612 0.218 18375 10290 1 17 . 1 1 108 108 TYR N N 108 117.300 117.300 120.149 -2.849 18375 10291 1 17 . 1 1 108 108 TYR HA H 108 4.620 4.620 4.621 -0.001 18375 10292 1 17 . 1 1 108 108 TYR C C 108 174.810 174.810 176.036 -1.226 18375 10293 1 17 . 1 1 108 108 TYR CA C 108 58.700 58.700 58.677 0.023 18375 10294 1 17 . 1 1 108 108 TYR CB C 108 41.260 41.260 39.635 1.625 18375 10295 1 17 . 1 1 108 108 TYR H H 108 7.020 7.020 7.201 -0.181 18375 10296 1 17 . 1 1 109 109 ASN N N 109 117.260 117.260 117.713 -0.453 18375 10297 1 17 . 1 1 109 109 ASN HA H 109 5.020 5.020 5.026 -0.006 18375 10298 1 17 . 1 1 109 109 ASN C C 109 173.590 173.590 173.784 -0.194 18375 10299 1 17 . 1 1 109 109 ASN CA C 109 53.140 53.140 52.231 0.909 18375 10300 1 17 . 1 1 109 109 ASN CB C 109 41.590 41.590 40.532 1.058 18375 10301 1 17 . 1 1 109 109 ASN H H 109 7.910 7.910 8.440 -0.530 18375 10302 1 17 . 1 1 110 110 TYR N N 110 117.410 117.410 126.317 -8.907 18375 10303 1 17 . 1 1 110 110 TYR HA H 110 5.300 5.300 5.202 0.098 18375 10304 1 17 . 1 1 110 110 TYR C C 110 174.450 174.450 174.564 -0.114 18375 10305 1 17 . 1 1 110 110 TYR CA C 110 57.740 57.740 55.340 2.400 18375 10306 1 17 . 1 1 110 110 TYR CB C 110 41.580 41.580 40.355 1.225 18375 10307 1 17 . 1 1 110 110 TYR H H 110 9.340 9.340 8.253 1.087 18375 10308 1 17 . 1 1 111 111 ILE N N 111 123.080 123.080 123.880 -0.800 18375 10309 1 17 . 1 1 111 111 ILE HA H 111 4.360 4.360 4.719 -0.359 18375 10310 1 17 . 1 1 111 111 ILE C C 111 175.250 175.250 175.108 0.142 18375 10311 1 17 . 1 1 111 111 ILE CA C 111 61.530 61.530 60.139 1.391 18375 10312 1 17 . 1 1 111 111 ILE CB C 111 40.560 40.560 37.999 2.561 18375 10313 1 17 . 1 1 111 111 ILE H H 111 9.320 9.320 8.737 0.583 18375 10314 1 17 . 1 1 112 112 HIS N N 112 109.020 109.020 127.388 -18.368 18375 10315 1 17 . 1 1 112 112 HIS HA H 112 4.560 4.560 4.667 -0.107 18375 10316 1 17 . 1 1 112 112 HIS C C 112 173.980 173.980 175.394 -1.414 18375 10317 1 17 . 1 1 112 112 HIS CA C 112 57.550 57.550 57.471 0.079 18375 10318 1 17 . 1 1 112 112 HIS CB C 112 31.350 31.350 31.468 -0.118 18375 10319 1 17 . 1 1 112 112 HIS H H 112 8.710 8.710 9.059 -0.349 18375 10320 1 18 . 1 1 3 3 SER HA H 3 4.510 4.510 4.332 0.178 18375 10321 1 18 . 1 1 3 3 SER C C 3 174.460 174.460 173.432 1.028 18375 10322 1 18 . 1 1 3 3 SER CA C 3 59.400 59.400 58.905 0.495 18375 10323 1 18 . 1 1 3 3 SER CB C 3 64.820 64.820 63.021 1.799 18375 10324 1 18 . 1 1 4 4 ILE N N 4 121.890 121.890 121.895 -0.005 18375 10325 1 18 . 1 1 4 4 ILE HA H 4 4.210 4.210 4.372 -0.162 18375 10326 1 18 . 1 1 4 4 ILE C C 4 176.040 176.040 177.112 -1.072 18375 10327 1 18 . 1 1 4 4 ILE CA C 4 62.180 62.180 59.848 2.332 18375 10328 1 18 . 1 1 4 4 ILE CB C 4 39.930 39.930 36.270 3.659 18375 10329 1 18 . 1 1 4 4 ILE H H 4 8.180 8.180 8.467 -0.287 18375 10330 1 18 . 1 1 5 5 SER N N 5 119.230 119.230 117.466 1.764 18375 10331 1 18 . 1 1 5 5 SER C C 5 174.290 174.290 175.610 -1.320 18375 10332 1 18 . 1 1 5 5 SER CA C 5 59.140 59.140 60.880 -1.740 18375 10333 1 18 . 1 1 5 5 SER CB C 5 64.930 64.930 63.279 1.651 18375 10334 1 18 . 1 1 5 5 SER H H 5 8.270 8.270 8.397 -0.127 18375 10335 1 18 . 1 1 6 6 HIS HA H 6 4.650 4.650 4.640 0.010 18375 10336 1 18 . 1 1 6 6 HIS CA C 6 57.240 57.240 56.895 0.345 18375 10337 1 18 . 1 1 6 6 HIS CB C 6 31.150 31.150 30.563 0.587 18375 10338 1 18 . 1 1 7 7 SER N N 7 117.260 117.260 111.562 5.698 18375 10339 1 18 . 1 1 7 7 SER HA H 7 4.430 4.430 4.579 -0.149 18375 10340 1 18 . 1 1 7 7 SER C C 7 174.890 174.890 174.142 0.748 18375 10341 1 18 . 1 1 7 7 SER CA C 7 59.750 59.750 58.556 1.194 18375 10342 1 18 . 1 1 7 7 SER CB C 7 64.890 64.890 64.418 0.472 18375 10343 1 18 . 1 1 7 7 SER H H 7 8.360 8.360 8.075 0.285 18375 10344 1 18 . 1 1 8 8 GLY N N 8 110.140 110.140 109.578 0.562 18375 10345 1 18 . 1 1 8 8 GLY C C 8 173.340 173.340 173.683 -0.343 18375 10346 1 18 . 1 1 8 8 GLY CA C 8 45.920 45.920 44.606 1.314 18375 10347 1 18 . 1 1 8 8 GLY H H 8 8.500 8.500 8.796 -0.296 18375 10348 1 18 . 1 1 9 9 ASN N N 9 118.840 118.840 118.137 0.703 18375 10349 1 18 . 1 1 9 9 ASN HA H 9 3.430 3.430 5.253 -1.823 18375 10350 1 18 . 1 1 9 9 ASN C C 9 175.460 175.460 175.725 -0.265 18375 10351 1 18 . 1 1 9 9 ASN CA C 9 53.400 53.400 52.298 1.102 18375 10352 1 18 . 1 1 9 9 ASN CB C 9 38.780 38.780 40.528 -1.748 18375 10353 1 18 . 1 1 9 9 ASN H H 9 8.280 8.280 7.717 0.563 18375 10354 1 18 . 1 1 10 10 LEU N N 10 125.560 125.560 124.281 1.279 18375 10355 1 18 . 1 1 10 10 LEU HA H 10 4.250 4.250 4.441 -0.191 18375 10356 1 18 . 1 1 10 10 LEU C C 10 177.320 177.320 176.987 0.333 18375 10357 1 18 . 1 1 10 10 LEU CA C 10 55.080 55.080 54.822 0.258 18375 10358 1 18 . 1 1 10 10 LEU CB C 10 42.110 42.110 42.137 -0.027 18375 10359 1 18 . 1 1 10 10 LEU H H 10 6.850 6.850 8.502 -1.652 18375 10360 1 18 . 1 1 11 11 TYR N N 11 120.920 120.920 119.056 1.864 18375 10361 1 18 . 1 1 11 11 TYR HA H 11 4.350 4.350 4.445 -0.095 18375 10362 1 18 . 1 1 11 11 TYR C C 11 174.800 174.800 177.478 -2.678 18375 10363 1 18 . 1 1 11 11 TYR CA C 11 60.200 60.200 59.015 1.185 18375 10364 1 18 . 1 1 11 11 TYR CB C 11 38.520 38.520 40.875 -2.355 18375 10365 1 18 . 1 1 11 11 TYR H H 11 7.680 7.680 8.566 -0.886 18375 10366 1 18 . 1 1 12 12 THR N N 12 118.320 118.320 116.424 1.896 18375 10367 1 18 . 1 1 12 12 THR HA H 12 3.680 3.680 4.014 -0.334 18375 10368 1 18 . 1 1 12 12 THR C C 12 173.180 173.180 172.851 0.329 18375 10369 1 18 . 1 1 12 12 THR CA C 12 65.310 65.310 64.285 1.025 18375 10370 1 18 . 1 1 12 12 THR CB C 12 70.080 70.080 69.138 0.942 18375 10371 1 18 . 1 1 12 12 THR H H 12 8.320 8.320 8.665 -0.345 18375 10372 1 18 . 1 1 13 13 ALA N N 13 111.540 111.540 121.737 -10.197 18375 10373 1 18 . 1 1 13 13 ALA HA H 13 3.690 3.690 2.899 0.791 18375 10374 1 18 . 1 1 13 13 ALA CA C 13 53.700 53.700 51.717 1.983 18375 10375 1 18 . 1 1 13 13 ALA H H 13 8.150 8.150 7.575 0.575 18375 10376 1 18 . 1 1 14 14 GLY N N 14 109.410 109.410 107.271 2.139 18375 10377 1 18 . 1 1 14 14 GLY C C 14 173.310 173.310 174.260 -0.950 18375 10378 1 18 . 1 1 14 14 GLY CA C 14 44.150 44.150 44.814 -0.664 18375 10379 1 18 . 1 1 14 14 GLY H H 14 4.990 4.990 6.551 -1.561 18375 10380 1 18 . 1 1 15 15 GLN N N 15 115.720 115.720 118.127 -2.407 18375 10381 1 18 . 1 1 15 15 GLN HA H 15 4.410 4.410 4.410 -0.000 18375 10382 1 18 . 1 1 15 15 GLN C C 15 176.310 176.310 177.203 -0.893 18375 10383 1 18 . 1 1 15 15 GLN CA C 15 55.570 55.570 55.236 0.334 18375 10384 1 18 . 1 1 15 15 GLN CB C 15 31.180 31.180 29.833 1.347 18375 10385 1 18 . 1 1 15 15 GLN H H 15 7.170 7.170 7.826 -0.656 18375 10386 1 18 . 1 1 16 16 CYS N N 16 118.020 118.020 118.163 -0.143 18375 10387 1 18 . 1 1 16 16 CYS HA H 16 4.590 4.590 4.397 0.193 18375 10388 1 18 . 1 1 16 16 CYS C C 16 176.730 176.730 176.862 -0.132 18375 10389 1 18 . 1 1 16 16 CYS CA C 16 61.050 61.050 62.172 -1.122 18375 10390 1 18 . 1 1 16 16 CYS CB C 16 28.600 28.600 27.984 0.616 18375 10391 1 18 . 1 1 16 16 CYS H H 16 9.300 9.300 9.147 0.153 18375 10392 1 18 . 1 1 17 17 THR N N 17 113.910 113.910 113.418 0.492 18375 10393 1 18 . 1 1 17 17 THR HA H 17 3.180 3.180 4.200 -1.020 18375 10394 1 18 . 1 1 17 17 THR C C 17 174.260 174.260 176.171 -1.911 18375 10395 1 18 . 1 1 17 17 THR CA C 17 62.800 62.800 65.357 -2.557 18375 10396 1 18 . 1 1 17 17 THR CB C 17 69.000 69.000 68.221 0.779 18375 10397 1 18 . 1 1 17 17 THR H H 17 7.300 7.300 8.333 -1.033 18375 10398 1 18 . 1 1 18 18 TRP N N 18 123.650 123.650 124.362 -0.712 18375 10399 1 18 . 1 1 18 18 TRP HA H 18 4.380 4.380 4.473 -0.093 18375 10400 1 18 . 1 1 18 18 TRP C C 18 177.910 177.910 177.425 0.485 18375 10401 1 18 . 1 1 18 18 TRP CA C 18 61.600 61.600 60.929 0.671 18375 10402 1 18 . 1 1 18 18 TRP CB C 18 31.320 31.320 29.364 1.956 18375 10403 1 18 . 1 1 18 18 TRP H H 18 6.640 6.640 7.551 -0.911 18375 10404 1 18 . 1 1 19 19 TYR N N 19 115.660 115.660 119.605 -3.945 18375 10405 1 18 . 1 1 19 19 TYR HA H 19 4.120 4.120 4.080 0.040 18375 10406 1 18 . 1 1 19 19 TYR C C 19 177.170 177.170 177.496 -0.326 18375 10407 1 18 . 1 1 19 19 TYR CA C 19 61.370 61.370 61.809 -0.439 18375 10408 1 18 . 1 1 19 19 TYR CB C 19 42.110 42.110 38.422 3.688 18375 10409 1 18 . 1 1 19 19 TYR H H 19 7.680 7.680 9.054 -1.374 18375 10410 1 18 . 1 1 20 20 VAL N N 20 116.740 116.740 119.743 -3.003 18375 10411 1 18 . 1 1 20 20 VAL HA H 20 3.030 3.030 3.539 -0.509 18375 10412 1 18 . 1 1 20 20 VAL C C 20 176.410 176.410 177.924 -1.514 18375 10413 1 18 . 1 1 20 20 VAL CA C 20 68.360 68.360 67.566 0.794 18375 10414 1 18 . 1 1 20 20 VAL CB C 20 32.210 32.210 31.655 0.555 18375 10415 1 18 . 1 1 20 20 VAL H H 20 7.450 7.450 7.905 -0.455 18375 10416 1 18 . 1 1 21 21 TYR N N 21 118.550 118.550 121.067 -2.517 18375 10417 1 18 . 1 1 21 21 TYR HA H 21 3.560 3.560 4.213 -0.653 18375 10418 1 18 . 1 1 21 21 TYR C C 21 176.490 176.490 177.047 -0.557 18375 10419 1 18 . 1 1 21 21 TYR CA C 21 63.990 63.990 61.218 2.772 18375 10420 1 18 . 1 1 21 21 TYR CB C 21 38.970 38.970 38.349 0.621 18375 10421 1 18 . 1 1 21 21 TYR H H 21 8.370 8.370 8.427 -0.057 18375 10422 1 18 . 1 1 22 22 ASP N N 22 115.760 115.760 118.864 -3.104 18375 10423 1 18 . 1 1 22 22 ASP HA H 22 4.260 4.260 3.986 0.274 18375 10424 1 18 . 1 1 22 22 ASP C C 22 169.690 169.690 178.622 -8.932 18375 10425 1 18 . 1 1 22 22 ASP CA C 22 58.010 58.010 57.170 0.840 18375 10426 1 18 . 1 1 22 22 ASP CB C 22 41.770 41.770 40.334 1.436 18375 10427 1 18 . 1 1 22 22 ASP H H 22 6.880 6.880 8.005 -1.125 18375 10428 1 18 . 1 1 23 23 LYS N N 23 121.790 121.790 118.824 2.966 18375 10429 1 18 . 1 1 23 23 LYS HA H 23 3.610 3.610 3.683 -0.073 18375 10430 1 18 . 1 1 23 23 LYS C C 23 178.360 178.360 178.717 -0.357 18375 10431 1 18 . 1 1 23 23 LYS CA C 23 57.990 57.990 58.127 -0.136 18375 10432 1 18 . 1 1 23 23 LYS CB C 23 31.350 31.350 31.443 -0.093 18375 10433 1 18 . 1 1 23 23 LYS H H 23 7.820 7.820 8.028 -0.208 18375 10434 1 18 . 1 1 24 24 VAL N N 24 108.790 108.790 111.480 -2.690 18375 10435 1 18 . 1 1 24 24 VAL HA H 24 4.390 4.390 4.059 0.331 18375 10436 1 18 . 1 1 24 24 VAL C C 24 176.840 176.840 176.172 0.668 18375 10437 1 18 . 1 1 24 24 VAL CA C 24 61.430 61.430 61.792 -0.362 18375 10438 1 18 . 1 1 24 24 VAL CB C 24 31.690 31.690 30.753 0.937 18375 10439 1 18 . 1 1 24 24 VAL H H 24 7.590 7.590 7.385 0.205 18375 10440 1 18 . 1 1 25 25 GLY N N 25 110.620 110.620 108.465 2.155 18375 10441 1 18 . 1 1 25 25 GLY C C 25 175.510 175.510 174.870 0.640 18375 10442 1 18 . 1 1 25 25 GLY CA C 25 47.110 47.110 44.720 2.390 18375 10443 1 18 . 1 1 25 25 GLY H H 25 7.680 7.680 7.398 0.282 18375 10444 1 18 . 1 1 26 26 GLY N N 26 122.410 122.410 107.130 15.280 18375 10445 1 18 . 1 1 26 26 GLY C C 26 174.470 174.470 173.965 0.505 18375 10446 1 18 . 1 1 26 26 GLY CA C 26 46.440 46.440 45.086 1.354 18375 10447 1 18 . 1 1 26 26 GLY H H 26 7.870 7.870 8.018 -0.148 18375 10448 1 18 . 1 1 27 27 GLU N N 27 116.720 116.720 117.585 -0.865 18375 10449 1 18 . 1 1 27 27 GLU HA H 27 4.150 4.150 4.202 -0.052 18375 10450 1 18 . 1 1 27 27 GLU C C 27 175.810 175.810 175.377 0.433 18375 10451 1 18 . 1 1 27 27 GLU CA C 27 58.110 58.110 57.067 1.043 18375 10452 1 18 . 1 1 27 27 GLU CB C 27 30.500 30.500 30.590 -0.090 18375 10453 1 18 . 1 1 27 27 GLU H H 27 6.650 6.650 8.215 -1.565 18375 10454 1 18 . 1 1 28 28 ILE N N 28 125.210 125.210 117.455 7.755 18375 10455 1 18 . 1 1 28 28 ILE HA H 28 4.040 4.040 4.373 -0.333 18375 10456 1 18 . 1 1 28 28 ILE CA C 28 60.160 60.160 60.746 -0.586 18375 10457 1 18 . 1 1 28 28 ILE CB C 28 40.940 40.940 39.994 0.946 18375 10458 1 18 . 1 1 28 28 ILE H H 28 6.330 6.330 7.431 -1.101 18375 10459 1 18 . 1 1 29 29 GLY C C 29 174.050 174.050 173.929 0.121 18375 10460 1 18 . 1 1 29 29 GLY CA C 29 46.190 46.190 45.460 0.730 18375 10461 1 18 . 1 1 30 30 SER N N 30 115.530 115.530 114.538 0.992 18375 10462 1 18 . 1 1 30 30 SER HA H 30 4.140 4.140 3.535 0.605 18375 10463 1 18 . 1 1 30 30 SER C C 30 174.000 174.000 174.126 -0.126 18375 10464 1 18 . 1 1 30 30 SER CA C 30 60.180 60.180 58.722 1.458 18375 10465 1 18 . 1 1 30 30 SER CB C 30 65.150 65.150 63.503 1.647 18375 10466 1 18 . 1 1 30 30 SER H H 30 8.540 8.540 8.244 0.296 18375 10467 1 18 . 1 1 31 31 THR N N 31 124.440 124.440 109.513 14.927 18375 10468 1 18 . 1 1 31 31 THR HA H 31 4.460 4.460 4.577 -0.117 18375 10469 1 18 . 1 1 31 31 THR C C 31 175.390 175.390 174.688 0.702 18375 10470 1 18 . 1 1 31 31 THR CA C 31 61.350 61.350 60.734 0.616 18375 10471 1 18 . 1 1 31 31 THR CB C 31 69.190 69.190 69.364 -0.174 18375 10472 1 18 . 1 1 31 31 THR H H 31 7.070 7.070 7.411 -0.341 18375 10473 1 18 . 1 1 32 32 TRP N N 32 121.120 121.120 120.760 0.360 18375 10474 1 18 . 1 1 32 32 TRP HA H 32 4.470 4.470 4.432 0.038 18375 10475 1 18 . 1 1 32 32 TRP C C 32 175.720 175.720 176.420 -0.700 18375 10476 1 18 . 1 1 32 32 TRP CA C 32 57.500 57.500 56.720 0.780 18375 10477 1 18 . 1 1 32 32 TRP CB C 32 28.670 28.670 27.650 1.020 18375 10478 1 18 . 1 1 32 32 TRP H H 32 7.750 7.750 7.336 0.414 18375 10479 1 18 . 1 1 33 33 GLY N N 33 125.330 125.330 109.754 15.576 18375 10480 1 18 . 1 1 33 33 GLY C C 33 175.520 175.520 173.460 2.060 18375 10481 1 18 . 1 1 33 33 GLY CA C 33 46.390 46.390 45.515 0.875 18375 10482 1 18 . 1 1 33 33 GLY H H 33 8.580 8.580 8.266 0.314 18375 10483 1 18 . 1 1 34 34 ASN N N 34 118.870 118.870 120.733 -1.863 18375 10484 1 18 . 1 1 34 34 ASN HA H 34 4.720 4.720 5.131 -0.411 18375 10485 1 18 . 1 1 34 34 ASN C C 34 175.710 175.710 176.146 -0.436 18375 10486 1 18 . 1 1 34 34 ASN CA C 34 54.630 54.630 51.810 2.820 18375 10487 1 18 . 1 1 34 34 ASN CB C 34 40.050 40.050 40.954 -0.904 18375 10488 1 18 . 1 1 34 34 ASN H H 34 8.780 8.780 8.188 0.592 18375 10489 1 18 . 1 1 35 35 ALA N N 35 121.960 121.960 122.595 -0.635 18375 10490 1 18 . 1 1 35 35 ALA HA H 35 2.920 2.920 3.461 -0.541 18375 10491 1 18 . 1 1 35 35 ALA C C 35 169.710 169.710 177.959 -8.249 18375 10492 1 18 . 1 1 35 35 ALA CA C 35 55.950 55.950 54.895 1.055 18375 10493 1 18 . 1 1 35 35 ALA CB C 35 20.460 20.460 18.244 2.216 18375 10494 1 18 . 1 1 35 35 ALA H H 35 8.750 8.750 8.759 -0.009 18375 10495 1 18 . 1 1 36 36 ASN N N 36 114.940 114.940 114.564 0.376 18375 10496 1 18 . 1 1 36 36 ASN HA H 36 4.170 4.170 4.587 -0.417 18375 10497 1 18 . 1 1 36 36 ASN C C 36 175.200 175.200 175.533 -0.333 18375 10498 1 18 . 1 1 36 36 ASN CA C 36 55.930 55.930 54.717 1.213 18375 10499 1 18 . 1 1 36 36 ASN CB C 36 36.690 36.690 38.721 -2.031 18375 10500 1 18 . 1 1 36 36 ASN H H 36 8.410 8.410 8.266 0.144 18375 10501 1 18 . 1 1 37 37 ASN N N 37 120.180 120.180 117.731 2.449 18375 10502 1 18 . 1 1 37 37 ASN HA H 37 5.060 5.060 4.918 0.142 18375 10503 1 18 . 1 1 37 37 ASN C C 37 176.530 176.530 176.297 0.233 18375 10504 1 18 . 1 1 37 37 ASN CA C 37 54.250 54.250 52.589 1.661 18375 10505 1 18 . 1 1 37 37 ASN CB C 37 41.720 41.720 38.586 3.134 18375 10506 1 18 . 1 1 37 37 ASN H H 37 8.850 8.850 8.138 0.712 18375 10507 1 18 . 1 1 38 38 TRP N N 38 118.410 118.410 122.891 -4.481 18375 10508 1 18 . 1 1 38 38 TRP HA H 38 4.190 4.190 4.301 -0.111 18375 10509 1 18 . 1 1 38 38 TRP C C 38 177.390 177.390 178.129 -0.739 18375 10510 1 18 . 1 1 38 38 TRP CA C 38 63.450 63.450 62.606 0.844 18375 10511 1 18 . 1 1 38 38 TRP CB C 38 29.680 29.680 28.867 0.813 18375 10512 1 18 . 1 1 38 38 TRP H H 38 8.240 8.240 7.458 0.782 18375 10513 1 18 . 1 1 39 39 ALA N N 39 118.400 118.400 119.833 -1.433 18375 10514 1 18 . 1 1 39 39 ALA HA H 39 3.770 3.770 4.005 -0.235 18375 10515 1 18 . 1 1 39 39 ALA C C 39 178.580 178.580 179.551 -0.971 18375 10516 1 18 . 1 1 39 39 ALA CA C 39 56.760 56.760 55.720 1.040 18375 10517 1 18 . 1 1 39 39 ALA CB C 39 18.020 18.020 17.709 0.311 18375 10518 1 18 . 1 1 39 39 ALA H H 39 7.150 7.150 8.844 -1.694 18375 10519 1 18 . 1 1 40 40 ALA N N 40 121.830 121.830 121.405 0.425 18375 10520 1 18 . 1 1 40 40 ALA HA H 40 3.990 3.990 4.059 -0.069 18375 10521 1 18 . 1 1 40 40 ALA C C 40 171.320 171.320 179.388 -8.068 18375 10522 1 18 . 1 1 40 40 ALA CA C 40 55.610 55.610 54.613 0.997 18375 10523 1 18 . 1 1 40 40 ALA CB C 40 18.840 18.840 18.366 0.474 18375 10524 1 18 . 1 1 40 40 ALA H H 40 8.060 8.060 8.063 -0.003 18375 10525 1 18 . 1 1 41 41 ALA N N 41 122.200 122.200 120.808 1.392 18375 10526 1 18 . 1 1 41 41 ALA HA H 41 3.630 3.630 3.924 -0.294 18375 10527 1 18 . 1 1 41 41 ALA C C 41 170.110 170.110 179.232 -9.122 18375 10528 1 18 . 1 1 41 41 ALA CA C 41 55.240 55.240 54.943 0.297 18375 10529 1 18 . 1 1 41 41 ALA CB C 41 18.020 18.020 18.568 -0.548 18375 10530 1 18 . 1 1 41 41 ALA H H 41 8.250 8.250 8.320 -0.070 18375 10531 1 18 . 1 1 42 42 ALA N N 42 119.600 119.600 121.195 -1.595 18375 10532 1 18 . 1 1 42 42 ALA HA H 42 3.270 3.270 3.155 0.115 18375 10533 1 18 . 1 1 42 42 ALA C C 42 170.160 170.160 179.482 -9.322 18375 10534 1 18 . 1 1 42 42 ALA CA C 42 55.480 55.480 54.693 0.787 18375 10535 1 18 . 1 1 42 42 ALA CB C 42 19.890 19.890 18.272 1.618 18375 10536 1 18 . 1 1 42 42 ALA H H 42 7.710 7.710 8.713 -1.003 18375 10537 1 18 . 1 1 43 43 GLN N N 43 118.750 118.750 118.522 0.228 18375 10538 1 18 . 1 1 43 43 GLN HA H 43 4.340 4.340 4.186 0.154 18375 10539 1 18 . 1 1 43 43 GLN C C 43 170.980 170.980 179.128 -8.148 18375 10540 1 18 . 1 1 43 43 GLN CA C 43 60.200 60.200 58.273 1.927 18375 10541 1 18 . 1 1 43 43 GLN CB C 43 29.710 29.710 28.961 0.749 18375 10542 1 18 . 1 1 43 43 GLN H H 43 7.880 7.880 8.134 -0.254 18375 10543 1 18 . 1 1 44 44 GLY N N 44 125.760 125.760 106.932 18.828 18375 10544 1 18 . 1 1 44 44 GLY C C 44 174.300 174.300 175.171 -0.871 18375 10545 1 18 . 1 1 44 44 GLY CA C 44 47.660 47.660 46.251 1.409 18375 10546 1 18 . 1 1 44 44 GLY H H 44 8.010 8.010 7.997 0.013 18375 10547 1 18 . 1 1 45 45 ALA N N 45 121.480 121.480 122.807 -1.327 18375 10548 1 18 . 1 1 45 45 ALA HA H 45 4.620 4.620 4.213 0.407 18375 10549 1 18 . 1 1 45 45 ALA C C 45 177.190 177.190 177.567 -0.377 18375 10550 1 18 . 1 1 45 45 ALA CA C 45 52.680 52.680 52.338 0.342 18375 10551 1 18 . 1 1 45 45 ALA CB C 45 20.560 20.560 19.605 0.955 18375 10552 1 18 . 1 1 45 45 ALA H H 45 7.540 7.540 7.740 -0.200 18375 10553 1 18 . 1 1 46 46 GLY N N 46 123.690 123.690 105.714 17.976 18375 10554 1 18 . 1 1 46 46 GLY C C 46 174.980 174.980 173.677 1.303 18375 10555 1 18 . 1 1 46 46 GLY CA C 46 46.540 46.540 44.649 1.891 18375 10556 1 18 . 1 1 46 46 GLY H H 46 7.680 7.680 7.638 0.042 18375 10557 1 18 . 1 1 47 47 PHE N N 47 119.960 119.960 119.620 0.340 18375 10558 1 18 . 1 1 47 47 PHE HA H 47 4.620 4.620 5.064 -0.444 18375 10559 1 18 . 1 1 47 47 PHE C C 47 176.120 176.120 176.080 0.040 18375 10560 1 18 . 1 1 47 47 PHE CA C 47 59.000 59.000 53.641 5.359 18375 10561 1 18 . 1 1 47 47 PHE CB C 47 40.350 40.350 40.203 0.147 18375 10562 1 18 . 1 1 47 47 PHE H H 47 8.280 8.280 8.110 0.170 18375 10563 1 18 . 1 1 48 48 THR N N 48 120.680 120.680 120.622 0.058 18375 10564 1 18 . 1 1 48 48 THR HA H 48 4.190 4.190 4.506 -0.316 18375 10565 1 18 . 1 1 48 48 THR C C 48 173.000 173.000 173.849 -0.849 18375 10566 1 18 . 1 1 48 48 THR CA C 48 65.150 65.150 62.703 2.447 18375 10567 1 18 . 1 1 48 48 THR CB C 48 70.530 70.530 68.443 2.087 18375 10568 1 18 . 1 1 48 48 THR H H 48 9.260 9.260 8.754 0.506 18375 10569 1 18 . 1 1 49 49 VAL N N 49 111.320 111.320 125.099 -13.779 18375 10570 1 18 . 1 1 49 49 VAL HA H 49 5.380 5.380 5.175 0.205 18375 10571 1 18 . 1 1 49 49 VAL C C 49 175.570 175.570 174.614 0.956 18375 10572 1 18 . 1 1 49 49 VAL CA C 49 61.510 61.510 60.412 1.098 18375 10573 1 18 . 1 1 49 49 VAL CB C 49 34.960 34.960 33.930 1.030 18375 10574 1 18 . 1 1 49 49 VAL H H 49 8.560 8.560 8.383 0.177 18375 10575 1 18 . 1 1 50 50 ASN N N 50 125.000 125.000 126.414 -1.414 18375 10576 1 18 . 1 1 50 50 ASN HA H 50 4.800 4.800 4.893 -0.093 18375 10577 1 18 . 1 1 50 50 ASN C C 50 174.270 174.270 173.657 0.613 18375 10578 1 18 . 1 1 50 50 ASN CA C 50 53.430 53.430 51.951 1.479 18375 10579 1 18 . 1 1 50 50 ASN CB C 50 39.100 39.100 41.400 -2.300 18375 10580 1 18 . 1 1 50 50 ASN H H 50 9.010 9.010 8.601 0.409 18375 10581 1 18 . 1 1 51 51 HIS N N 51 114.650 114.650 115.135 -0.485 18375 10582 1 18 . 1 1 51 51 HIS HA H 51 5.760 5.760 4.845 0.915 18375 10583 1 18 . 1 1 51 51 HIS C C 51 174.060 174.060 173.031 1.029 18375 10584 1 18 . 1 1 51 51 HIS CA C 51 56.360 56.360 55.637 0.723 18375 10585 1 18 . 1 1 51 51 HIS CB C 51 29.980 29.980 29.876 0.104 18375 10586 1 18 . 1 1 51 51 HIS H H 51 8.550 8.550 8.280 0.270 18375 10587 1 18 . 1 1 52 52 THR N N 52 119.910 119.910 119.099 0.811 18375 10588 1 18 . 1 1 52 52 THR HA H 52 4.600 4.600 4.483 0.117 18375 10589 1 18 . 1 1 52 52 THR CA C 52 60.140 60.140 59.724 0.416 18375 10590 1 18 . 1 1 52 52 THR CB C 52 71.890 71.890 70.930 0.960 18375 10591 1 18 . 1 1 52 52 THR H H 52 8.500 8.500 7.405 1.095 18375 10592 1 18 . 1 1 53 53 PRO HA H 53 2.920 2.920 4.352 -1.432 18375 10593 1 18 . 1 1 53 53 PRO C C 53 175.410 175.410 175.784 -0.374 18375 10594 1 18 . 1 1 53 53 PRO CA C 53 62.460 62.460 63.048 -0.588 18375 10595 1 18 . 1 1 53 53 PRO CB C 53 33.410 33.410 32.136 1.274 18375 10596 1 18 . 1 1 54 54 SER N N 54 108.990 108.990 117.121 -8.131 18375 10597 1 18 . 1 1 54 54 SER HA H 54 4.300 4.300 4.629 -0.329 18375 10598 1 18 . 1 1 54 54 SER C C 54 172.380 172.380 173.177 -0.797 18375 10599 1 18 . 1 1 54 54 SER CA C 54 58.270 58.270 56.791 1.479 18375 10600 1 18 . 1 1 54 54 SER CB C 54 66.620 66.620 66.287 0.333 18375 10601 1 18 . 1 1 54 54 SER H H 54 6.000 6.000 8.196 -2.196 18375 10602 1 18 . 1 1 55 55 LYS N N 55 124.470 124.470 124.681 -0.211 18375 10603 1 18 . 1 1 55 55 LYS HA H 55 3.500 3.500 3.907 -0.407 18375 10604 1 18 . 1 1 55 55 LYS C C 55 177.150 177.150 177.337 -0.187 18375 10605 1 18 . 1 1 55 55 LYS CA C 55 59.850 59.850 57.797 2.053 18375 10606 1 18 . 1 1 55 55 LYS CB C 55 33.010 33.010 31.582 1.427 18375 10607 1 18 . 1 1 55 55 LYS H H 55 8.860 8.860 8.927 -0.067 18375 10608 1 18 . 1 1 56 56 GLY N N 56 116.710 116.710 113.421 3.289 18375 10609 1 18 . 1 1 56 56 GLY C C 56 173.430 173.430 173.598 -0.168 18375 10610 1 18 . 1 1 56 56 GLY CA C 56 45.600 45.600 44.642 0.958 18375 10611 1 18 . 1 1 56 56 GLY H H 56 8.950 8.950 8.269 0.681 18375 10612 1 18 . 1 1 57 57 ALA N N 57 118.940 118.940 122.076 -3.136 18375 10613 1 18 . 1 1 57 57 ALA HA H 57 4.630 4.630 4.638 -0.008 18375 10614 1 18 . 1 1 57 57 ALA C C 57 174.570 174.570 175.194 -0.624 18375 10615 1 18 . 1 1 57 57 ALA CA C 57 51.840 51.840 50.296 1.544 18375 10616 1 18 . 1 1 57 57 ALA CB C 57 20.960 20.960 21.464 -0.504 18375 10617 1 18 . 1 1 57 57 ALA H H 57 7.420 7.420 7.964 -0.544 18375 10618 1 18 . 1 1 58 58 ILE N N 58 117.340 117.340 116.046 1.294 18375 10619 1 18 . 1 1 58 58 ILE HA H 58 4.720 4.720 4.737 -0.017 18375 10620 1 18 . 1 1 58 58 ILE C C 58 176.920 176.920 174.396 2.524 18375 10621 1 18 . 1 1 58 58 ILE CA C 58 60.910 60.910 59.785 1.125 18375 10622 1 18 . 1 1 58 58 ILE CB C 58 41.820 41.820 42.519 -0.699 18375 10623 1 18 . 1 1 58 58 ILE H H 58 8.350 8.350 8.230 0.120 18375 10624 1 18 . 1 1 59 59 LEU N N 59 112.330 112.330 120.829 -8.499 18375 10625 1 18 . 1 1 59 59 LEU HA H 59 4.220 4.220 4.937 -0.717 18375 10626 1 18 . 1 1 59 59 LEU C C 59 174.530 174.530 174.423 0.107 18375 10627 1 18 . 1 1 59 59 LEU CA C 59 56.430 56.430 53.775 2.655 18375 10628 1 18 . 1 1 59 59 LEU CB C 59 44.160 44.160 46.484 -2.324 18375 10629 1 18 . 1 1 59 59 LEU H H 59 8.430 8.430 8.319 0.111 18375 10630 1 18 . 1 1 60 60 GLN N N 60 111.170 111.170 123.496 -12.326 18375 10631 1 18 . 1 1 60 60 GLN HA H 60 4.970 4.970 5.290 -0.320 18375 10632 1 18 . 1 1 60 60 GLN C C 60 172.980 172.980 173.760 -0.780 18375 10633 1 18 . 1 1 60 60 GLN CA C 60 56.720 56.720 54.445 2.275 18375 10634 1 18 . 1 1 60 60 GLN CB C 60 30.950 30.950 33.336 -2.386 18375 10635 1 18 . 1 1 60 60 GLN H H 60 9.490 9.490 8.480 1.010 18375 10636 1 18 . 1 1 61 61 SER N N 61 118.550 118.550 118.923 -0.373 18375 10637 1 18 . 1 1 61 61 SER HA H 61 4.940 4.940 4.888 0.052 18375 10638 1 18 . 1 1 61 61 SER C C 61 174.370 174.370 174.243 0.127 18375 10639 1 18 . 1 1 61 61 SER CA C 61 56.570 56.570 57.026 -0.456 18375 10640 1 18 . 1 1 61 61 SER CB C 61 67.130 67.130 64.933 2.197 18375 10641 1 18 . 1 1 61 61 SER H H 61 8.800 8.800 8.712 0.088 18375 10642 1 18 . 1 1 62 62 SER N N 62 120.910 120.910 121.777 -0.867 18375 10643 1 18 . 1 1 62 62 SER HA H 62 4.540 4.540 4.598 -0.058 18375 10644 1 18 . 1 1 62 62 SER C C 62 173.560 173.560 174.932 -1.372 18375 10645 1 18 . 1 1 62 62 SER CA C 62 59.270 59.270 59.728 -0.458 18375 10646 1 18 . 1 1 62 62 SER CB C 62 64.390 64.390 63.673 0.717 18375 10647 1 18 . 1 1 62 62 SER H H 62 8.900 8.900 8.980 -0.080 18375 10648 1 18 . 1 1 63 63 GLU N N 63 121.810 121.810 120.938 0.872 18375 10649 1 18 . 1 1 63 63 GLU HA H 63 4.220 4.220 4.395 -0.175 18375 10650 1 18 . 1 1 63 63 GLU C C 63 176.030 176.030 176.512 -0.482 18375 10651 1 18 . 1 1 63 63 GLU CA C 63 57.840 57.840 56.699 1.141 18375 10652 1 18 . 1 1 63 63 GLU CB C 63 32.170 32.170 30.511 1.659 18375 10653 1 18 . 1 1 63 63 GLU H H 63 8.040 8.040 7.539 0.501 18375 10654 1 18 . 1 1 64 64 GLY N N 64 125.900 125.900 109.189 16.711 18375 10655 1 18 . 1 1 64 64 GLY CA C 64 45.490 45.490 44.926 0.564 18375 10656 1 18 . 1 1 64 64 GLY H H 64 8.200 8.200 8.452 -0.252 18375 10657 1 18 . 1 1 65 65 PRO HA H 65 4.040 4.040 4.428 -0.388 18375 10658 1 18 . 1 1 65 65 PRO C C 65 177.870 177.870 176.513 1.357 18375 10659 1 18 . 1 1 65 65 PRO CA C 65 65.610 65.610 63.589 2.021 18375 10660 1 18 . 1 1 65 65 PRO CB C 65 32.160 32.160 32.031 0.129 18375 10661 1 18 . 1 1 66 66 PHE N N 66 112.970 112.970 118.271 -5.301 18375 10662 1 18 . 1 1 66 66 PHE HA H 66 4.920 4.920 4.583 0.337 18375 10663 1 18 . 1 1 66 66 PHE C C 66 176.190 176.190 175.814 0.376 18375 10664 1 18 . 1 1 66 66 PHE CA C 66 57.420 57.420 59.292 -1.872 18375 10665 1 18 . 1 1 66 66 PHE CB C 66 42.360 42.360 39.932 2.428 18375 10666 1 18 . 1 1 66 66 PHE H H 66 8.490 8.490 8.131 0.359 18375 10667 1 18 . 1 1 67 67 GLY N N 67 124.370 124.370 104.762 19.608 18375 10668 1 18 . 1 1 67 67 GLY C C 67 172.480 172.480 173.095 -0.615 18375 10669 1 18 . 1 1 67 67 GLY CA C 67 46.860 46.860 45.123 1.737 18375 10670 1 18 . 1 1 67 67 GLY H H 67 6.940 6.940 7.618 -0.678 18375 10671 1 18 . 1 1 68 68 HIS N N 68 117.820 117.820 118.623 -0.803 18375 10672 1 18 . 1 1 68 68 HIS HA H 68 5.020 5.020 5.071 -0.051 18375 10673 1 18 . 1 1 68 68 HIS C C 68 173.790 173.790 173.730 0.060 18375 10674 1 18 . 1 1 68 68 HIS CA C 68 58.230 58.230 55.669 2.561 18375 10675 1 18 . 1 1 68 68 HIS CB C 68 36.120 36.120 31.639 4.481 18375 10676 1 18 . 1 1 68 68 HIS H H 68 8.590 8.590 8.708 -0.118 18375 10677 1 18 . 1 1 69 69 VAL N N 69 116.830 116.830 119.034 -2.204 18375 10678 1 18 . 1 1 69 69 VAL HA H 69 5.320 5.320 5.036 0.284 18375 10679 1 18 . 1 1 69 69 VAL C C 69 173.060 173.060 174.038 -0.978 18375 10680 1 18 . 1 1 69 69 VAL CA C 69 58.940 58.940 59.091 -0.151 18375 10681 1 18 . 1 1 69 69 VAL CB C 69 37.700 37.700 33.157 4.543 18375 10682 1 18 . 1 1 69 69 VAL H H 69 6.040 6.040 7.933 -1.893 18375 10683 1 18 . 1 1 70 70 ALA N N 70 120.820 120.820 129.004 -8.184 18375 10684 1 18 . 1 1 70 70 ALA HA H 70 4.510 4.510 4.656 -0.146 18375 10685 1 18 . 1 1 70 70 ALA C C 70 173.870 173.870 175.278 -1.408 18375 10686 1 18 . 1 1 70 70 ALA CA C 70 51.560 51.560 50.503 1.057 18375 10687 1 18 . 1 1 70 70 ALA CB C 70 26.390 26.390 22.394 3.996 18375 10688 1 18 . 1 1 70 70 ALA H H 70 8.890 8.890 8.058 0.832 18375 10689 1 18 . 1 1 71 71 TYR N N 71 121.640 121.640 124.898 -3.258 18375 10690 1 18 . 1 1 71 71 TYR HA H 71 4.890 4.890 4.438 0.452 18375 10691 1 18 . 1 1 71 71 TYR C C 71 174.620 174.620 173.865 0.755 18375 10692 1 18 . 1 1 71 71 TYR CA C 71 58.140 58.140 58.373 -0.233 18375 10693 1 18 . 1 1 71 71 TYR CB C 71 42.850 42.850 39.651 3.200 18375 10694 1 18 . 1 1 71 71 TYR H H 71 9.310 9.310 8.226 1.084 18375 10695 1 18 . 1 1 72 72 VAL N N 72 126.010 126.010 127.694 -1.684 18375 10696 1 18 . 1 1 72 72 VAL HA H 72 3.880 3.880 3.872 0.008 18375 10697 1 18 . 1 1 72 72 VAL C C 72 174.250 174.250 175.392 -1.142 18375 10698 1 18 . 1 1 72 72 VAL CA C 72 64.970 64.970 62.371 2.599 18375 10699 1 18 . 1 1 72 72 VAL CB C 72 31.470 31.470 31.131 0.339 18375 10700 1 18 . 1 1 72 72 VAL H H 72 8.230 8.230 8.242 -0.012 18375 10701 1 18 . 1 1 73 73 GLU N N 73 112.690 112.690 129.044 -16.354 18375 10702 1 18 . 1 1 73 73 GLU HA H 73 4.250 4.250 4.149 0.101 18375 10703 1 18 . 1 1 73 73 GLU C C 73 178.020 178.020 176.613 1.407 18375 10704 1 18 . 1 1 73 73 GLU CA C 73 58.400 58.400 57.609 0.791 18375 10705 1 18 . 1 1 73 73 GLU CB C 73 31.050 31.050 30.984 0.066 18375 10706 1 18 . 1 1 73 73 GLU H H 73 8.820 8.820 8.423 0.397 18375 10707 1 18 . 1 1 74 74 SER N N 74 125.880 125.880 112.624 13.256 18375 10708 1 18 . 1 1 74 74 SER HA H 74 4.330 4.330 4.530 -0.200 18375 10709 1 18 . 1 1 74 74 SER C C 74 172.030 172.030 171.821 0.209 18375 10710 1 18 . 1 1 74 74 SER CA C 74 59.220 59.220 57.868 1.351 18375 10711 1 18 . 1 1 74 74 SER CB C 74 65.620 65.620 65.093 0.527 18375 10712 1 18 . 1 1 74 74 SER H H 74 7.900 7.900 7.883 0.017 18375 10713 1 18 . 1 1 75 75 VAL N N 75 122.760 122.760 123.786 -1.026 18375 10714 1 18 . 1 1 75 75 VAL HA H 75 4.320 4.320 4.298 0.022 18375 10715 1 18 . 1 1 75 75 VAL C C 75 176.270 176.270 174.126 2.144 18375 10716 1 18 . 1 1 75 75 VAL CA C 75 63.380 63.380 60.482 2.898 18375 10717 1 18 . 1 1 75 75 VAL CB C 75 32.750 32.750 33.583 -0.833 18375 10718 1 18 . 1 1 75 75 VAL H H 75 8.400 8.400 8.413 -0.013 18375 10719 1 18 . 1 1 76 76 ASN N N 76 125.270 125.270 126.624 -1.354 18375 10720 1 18 . 1 1 76 76 ASN HA H 76 4.790 4.790 4.935 -0.145 18375 10721 1 18 . 1 1 76 76 ASN CA C 76 54.260 54.260 52.983 1.277 18375 10722 1 18 . 1 1 76 76 ASN CB C 76 39.960 39.960 39.882 0.078 18375 10723 1 18 . 1 1 76 76 ASN H H 76 9.080 9.080 8.649 0.431 18375 10724 1 18 . 1 1 77 77 SER HA H 77 4.130 4.130 4.261 -0.131 18375 10725 1 18 . 1 1 77 77 SER C C 77 174.410 174.410 175.022 -0.612 18375 10726 1 18 . 1 1 77 77 SER CA C 77 62.670 62.670 60.731 1.939 18375 10727 1 18 . 1 1 77 77 SER CB C 77 63.600 63.600 62.863 0.737 18375 10728 1 18 . 1 1 78 78 ASP N N 78 118.590 118.590 120.975 -2.385 18375 10729 1 18 . 1 1 78 78 ASP HA H 78 4.580 4.580 4.490 0.090 18375 10730 1 18 . 1 1 78 78 ASP C C 78 176.790 176.790 177.420 -0.630 18375 10731 1 18 . 1 1 78 78 ASP CA C 78 53.960 53.960 54.333 -0.373 18375 10732 1 18 . 1 1 78 78 ASP CB C 78 40.880 40.880 40.660 0.220 18375 10733 1 18 . 1 1 78 78 ASP H H 78 7.980 7.980 8.349 -0.369 18375 10734 1 18 . 1 1 79 79 GLY N N 79 109.220 109.220 108.012 1.208 18375 10735 1 18 . 1 1 79 79 GLY C C 79 173.470 173.470 173.909 -0.439 18375 10736 1 18 . 1 1 79 79 GLY CA C 79 46.050 46.050 44.840 1.210 18375 10737 1 18 . 1 1 79 79 GLY H H 79 8.180 8.180 7.943 0.237 18375 10738 1 18 . 1 1 80 80 SER N N 80 114.200 114.200 118.908 -4.708 18375 10739 1 18 . 1 1 80 80 SER HA H 80 4.350 4.350 4.929 -0.579 18375 10740 1 18 . 1 1 80 80 SER C C 80 172.630 172.630 174.053 -1.423 18375 10741 1 18 . 1 1 80 80 SER CA C 80 59.580 59.580 59.418 0.162 18375 10742 1 18 . 1 1 80 80 SER CB C 80 65.710 65.710 64.082 1.628 18375 10743 1 18 . 1 1 80 80 SER H H 80 7.930 7.930 7.697 0.233 18375 10744 1 18 . 1 1 81 81 VAL N N 81 118.060 118.060 124.819 -6.759 18375 10745 1 18 . 1 1 81 81 VAL HA H 81 4.690 4.690 4.242 0.448 18375 10746 1 18 . 1 1 81 81 VAL C C 81 175.220 175.220 175.267 -0.047 18375 10747 1 18 . 1 1 81 81 VAL CA C 81 61.980 61.980 61.132 0.848 18375 10748 1 18 . 1 1 81 81 VAL CB C 81 36.810 36.810 32.769 4.041 18375 10749 1 18 . 1 1 81 81 VAL H H 81 8.820 8.820 8.997 -0.177 18375 10750 1 18 . 1 1 82 82 THR N N 82 125.170 125.170 124.691 0.479 18375 10751 1 18 . 1 1 82 82 THR HA H 82 5.190 5.190 4.599 0.591 18375 10752 1 18 . 1 1 82 82 THR C C 82 174.150 174.150 173.808 0.342 18375 10753 1 18 . 1 1 82 82 THR CA C 82 63.440 63.440 62.705 0.735 18375 10754 1 18 . 1 1 82 82 THR CB C 82 70.520 70.520 68.688 1.832 18375 10755 1 18 . 1 1 82 82 THR H H 82 9.020 9.020 8.891 0.129 18375 10756 1 18 . 1 1 83 83 ILE N N 83 120.970 120.970 123.303 -2.333 18375 10757 1 18 . 1 1 83 83 ILE HA H 83 5.640 5.640 5.013 0.627 18375 10758 1 18 . 1 1 83 83 ILE C C 83 175.030 175.030 173.771 1.259 18375 10759 1 18 . 1 1 83 83 ILE CA C 83 59.440 59.440 58.742 0.698 18375 10760 1 18 . 1 1 83 83 ILE CB C 83 42.170 42.170 41.766 0.404 18375 10761 1 18 . 1 1 83 83 ILE H H 83 9.280 9.280 7.795 1.485 18375 10762 1 18 . 1 1 84 84 SER N N 84 115.430 115.430 117.177 -1.747 18375 10763 1 18 . 1 1 84 84 SER HA H 84 5.590 5.590 4.990 0.600 18375 10764 1 18 . 1 1 84 84 SER C C 84 173.130 173.130 173.183 -0.053 18375 10765 1 18 . 1 1 84 84 SER CA C 84 58.050 58.050 57.963 0.087 18375 10766 1 18 . 1 1 84 84 SER CB C 84 67.140 67.140 65.826 1.314 18375 10767 1 18 . 1 1 84 84 SER H H 84 9.600 9.600 8.961 0.639 18375 10768 1 18 . 1 1 85 85 GLU N N 85 117.660 117.660 124.761 -7.101 18375 10769 1 18 . 1 1 85 85 GLU HA H 85 5.180 5.180 4.982 0.198 18375 10770 1 18 . 1 1 85 85 GLU C C 85 171.780 171.780 174.416 -2.636 18375 10771 1 18 . 1 1 85 85 GLU CA C 85 54.880 54.880 54.675 0.205 18375 10772 1 18 . 1 1 85 85 GLU CB C 85 33.540 33.540 32.465 1.075 18375 10773 1 18 . 1 1 85 85 GLU H H 85 8.800 8.800 8.181 0.619 18375 10774 1 18 . 1 1 86 86 MET N N 86 118.950 118.950 126.745 -7.795 18375 10775 1 18 . 1 1 86 86 MET HA H 86 5.250 5.250 4.229 1.021 18375 10776 1 18 . 1 1 86 86 MET C C 86 175.010 175.010 176.153 -1.143 18375 10777 1 18 . 1 1 86 86 MET CA C 86 53.880 53.880 56.405 -2.525 18375 10778 1 18 . 1 1 86 86 MET CB C 86 38.240 38.240 32.751 5.489 18375 10779 1 18 . 1 1 86 86 MET H H 86 8.490 8.490 8.780 -0.290 18375 10780 1 18 . 1 1 87 87 ASN N N 87 116.670 116.670 126.325 -9.655 18375 10781 1 18 . 1 1 87 87 ASN HA H 87 4.190 4.190 4.344 -0.154 18375 10782 1 18 . 1 1 87 87 ASN C C 87 174.810 174.810 175.905 -1.095 18375 10783 1 18 . 1 1 87 87 ASN CA C 87 54.520 54.520 56.718 -2.199 18375 10784 1 18 . 1 1 87 87 ASN CB C 87 39.330 39.330 37.418 1.912 18375 10785 1 18 . 1 1 87 87 ASN H H 87 8.250 8.250 9.161 -0.911 18375 10786 1 18 . 1 1 88 88 TYR N N 88 119.600 119.600 116.999 2.601 18375 10787 1 18 . 1 1 88 88 TYR HA H 88 4.290 4.290 3.974 0.316 18375 10788 1 18 . 1 1 88 88 TYR C C 88 175.620 175.620 174.149 1.471 18375 10789 1 18 . 1 1 88 88 TYR CA C 88 60.720 60.720 61.068 -0.348 18375 10790 1 18 . 1 1 88 88 TYR CB C 88 41.430 41.430 37.751 3.679 18375 10791 1 18 . 1 1 88 88 TYR H H 88 8.940 8.940 8.689 0.251 18375 10792 1 18 . 1 1 89 89 SER N N 89 113.120 113.120 115.228 -2.108 18375 10793 1 18 . 1 1 89 89 SER HA H 89 4.320 4.320 4.350 -0.030 18375 10794 1 18 . 1 1 89 89 SER C C 89 174.860 174.860 173.582 1.278 18375 10795 1 18 . 1 1 89 89 SER CA C 89 58.690 58.690 58.339 0.351 18375 10796 1 18 . 1 1 89 89 SER CB C 89 65.140 65.140 62.546 2.594 18375 10797 1 18 . 1 1 89 89 SER H H 89 8.060 8.060 8.025 0.035 18375 10798 1 18 . 1 1 90 90 GLY N N 90 110.450 110.450 113.261 -2.811 18375 10799 1 18 . 1 1 90 90 GLY C C 90 174.680 174.680 173.531 1.149 18375 10800 1 18 . 1 1 90 90 GLY CA C 90 45.950 45.950 46.072 -0.122 18375 10801 1 18 . 1 1 90 90 GLY H H 90 8.180 8.180 7.785 0.395 18375 10802 1 18 . 1 1 91 91 GLY N N 91 108.710 108.710 112.074 -3.364 18375 10803 1 18 . 1 1 91 91 GLY CA C 91 45.880 45.880 43.145 2.735 18375 10804 1 18 . 1 1 91 91 GLY H H 91 8.330 8.330 8.503 -0.173 18375 10805 1 18 . 1 1 92 92 PRO HA H 92 4.040 4.040 4.306 -0.266 18375 10806 1 18 . 1 1 92 92 PRO C C 92 177.930 177.930 176.416 1.514 18375 10807 1 18 . 1 1 92 92 PRO CA C 92 64.710 64.710 63.577 1.133 18375 10808 1 18 . 1 1 92 92 PRO CB C 92 32.690 32.690 31.658 1.032 18375 10809 1 18 . 1 1 93 93 PHE N N 93 113.220 113.220 119.661 -6.441 18375 10810 1 18 . 1 1 93 93 PHE HA H 93 4.480 4.480 4.079 0.401 18375 10811 1 18 . 1 1 93 93 PHE C C 93 174.490 174.490 175.811 -1.321 18375 10812 1 18 . 1 1 93 93 PHE CA C 93 62.890 62.890 59.692 3.198 18375 10813 1 18 . 1 1 93 93 PHE CB C 93 37.410 37.410 36.987 0.423 18375 10814 1 18 . 1 1 93 93 PHE H H 93 8.350 8.350 8.201 0.149 18375 10815 1 18 . 1 1 94 94 SER N N 94 115.680 115.680 118.081 -2.401 18375 10816 1 18 . 1 1 94 94 SER HA H 94 4.620 4.620 4.442 0.178 18375 10817 1 18 . 1 1 94 94 SER C C 94 174.290 174.290 174.576 -0.286 18375 10818 1 18 . 1 1 94 94 SER CA C 94 59.150 59.150 58.326 0.824 18375 10819 1 18 . 1 1 94 94 SER CB C 94 64.690 64.690 63.223 1.467 18375 10820 1 18 . 1 1 94 94 SER H H 94 7.980 7.980 7.865 0.115 18375 10821 1 18 . 1 1 95 95 VAL N N 95 112.520 112.520 128.048 -15.528 18375 10822 1 18 . 1 1 95 95 VAL HA H 95 4.830 4.830 3.835 0.995 18375 10823 1 18 . 1 1 95 95 VAL C C 95 175.770 175.770 175.028 0.742 18375 10824 1 18 . 1 1 95 95 VAL CA C 95 62.520 62.520 62.581 -0.062 18375 10825 1 18 . 1 1 95 95 VAL CB C 95 34.010 34.010 31.464 2.546 18375 10826 1 18 . 1 1 95 95 VAL H H 95 8.840 8.840 8.005 0.835 18375 10827 1 18 . 1 1 96 96 SER N N 96 122.260 122.260 126.374 -4.114 18375 10828 1 18 . 1 1 96 96 SER HA H 96 4.810 4.810 4.432 0.378 18375 10829 1 18 . 1 1 96 96 SER C C 96 172.250 172.250 174.137 -1.887 18375 10830 1 18 . 1 1 96 96 SER CA C 96 58.080 58.080 58.618 -0.538 18375 10831 1 18 . 1 1 96 96 SER CB C 96 66.590 66.590 63.025 3.565 18375 10832 1 18 . 1 1 96 96 SER H H 96 9.190 9.190 9.014 0.176 18375 10833 1 18 . 1 1 97 97 SER N N 97 112.810 112.810 122.285 -9.475 18375 10834 1 18 . 1 1 97 97 SER HA H 97 5.620 5.620 4.491 1.129 18375 10835 1 18 . 1 1 97 97 SER C C 97 174.130 174.130 174.470 -0.340 18375 10836 1 18 . 1 1 97 97 SER CA C 97 57.260 57.260 59.304 -2.044 18375 10837 1 18 . 1 1 97 97 SER CB C 97 66.740 66.740 63.289 3.451 18375 10838 1 18 . 1 1 97 97 SER H H 97 8.290 8.290 8.547 -0.257 18375 10839 1 18 . 1 1 98 98 ARG N N 98 122.640 122.640 126.856 -4.216 18375 10840 1 18 . 1 1 98 98 ARG HA H 98 4.650 4.650 4.763 -0.113 18375 10841 1 18 . 1 1 98 98 ARG C C 98 174.030 174.030 174.825 -0.795 18375 10842 1 18 . 1 1 98 98 ARG CA C 98 56.640 56.640 55.071 1.569 18375 10843 1 18 . 1 1 98 98 ARG CB C 98 36.240 36.240 34.236 2.004 18375 10844 1 18 . 1 1 98 98 ARG H H 98 8.380 8.380 8.096 0.284 18375 10845 1 18 . 1 1 99 99 THR N N 99 118.220 118.220 117.292 0.928 18375 10846 1 18 . 1 1 99 99 THR HA H 99 5.280 5.280 5.374 -0.094 18375 10847 1 18 . 1 1 99 99 THR C C 99 173.930 173.930 173.586 0.344 18375 10848 1 18 . 1 1 99 99 THR CA C 99 62.820 62.820 61.744 1.076 18375 10849 1 18 . 1 1 99 99 THR CB C 99 71.360 71.360 70.393 0.967 18375 10850 1 18 . 1 1 99 99 THR H H 99 8.650 8.650 8.258 0.392 18375 10851 1 18 . 1 1 100 100 ILE N N 100 112.130 112.130 127.103 -14.973 18375 10852 1 18 . 1 1 100 100 ILE HA H 100 4.290 4.290 4.344 -0.054 18375 10853 1 18 . 1 1 100 100 ILE C C 100 175.190 175.190 176.085 -0.895 18375 10854 1 18 . 1 1 100 100 ILE CA C 100 60.340 60.340 60.131 0.209 18375 10855 1 18 . 1 1 100 100 ILE CB C 100 40.390 40.390 38.891 1.499 18375 10856 1 18 . 1 1 100 100 ILE H H 100 9.560 9.560 8.320 1.240 18375 10857 1 18 . 1 1 101 101 SER N N 101 121.940 121.940 122.564 -0.624 18375 10858 1 18 . 1 1 101 101 SER HA H 101 4.120 4.120 4.518 -0.398 18375 10859 1 18 . 1 1 101 101 SER C C 101 174.230 174.230 175.836 -1.606 18375 10860 1 18 . 1 1 101 101 SER CA C 101 59.450 59.450 57.789 1.661 18375 10861 1 18 . 1 1 101 101 SER CB C 101 65.410 65.410 64.725 0.685 18375 10862 1 18 . 1 1 101 101 SER H H 101 8.860 8.860 8.732 0.128 18375 10863 1 18 . 1 1 102 102 ALA N N 102 123.870 123.870 127.923 -4.053 18375 10864 1 18 . 1 1 102 102 ALA HA H 102 3.910 3.910 3.975 -0.065 18375 10865 1 18 . 1 1 102 102 ALA C C 102 170.440 170.440 180.090 -9.650 18375 10866 1 18 . 1 1 102 102 ALA CA C 102 56.360 56.360 55.349 1.011 18375 10867 1 18 . 1 1 102 102 ALA CB C 102 19.430 19.430 18.402 1.028 18375 10868 1 18 . 1 1 102 102 ALA H H 102 8.860 8.860 8.897 -0.037 18375 10869 1 18 . 1 1 103 103 SER N N 103 109.980 109.980 113.137 -3.157 18375 10870 1 18 . 1 1 103 103 SER HA H 103 4.200 4.200 4.121 0.079 18375 10871 1 18 . 1 1 103 103 SER C C 103 176.050 176.050 176.002 0.048 18375 10872 1 18 . 1 1 103 103 SER CA C 103 61.680 61.680 61.158 0.522 18375 10873 1 18 . 1 1 103 103 SER CB C 103 63.640 63.640 62.867 0.773 18375 10874 1 18 . 1 1 103 103 SER H H 103 8.180 8.180 8.337 -0.157 18375 10875 1 18 . 1 1 104 104 GLU N N 104 121.250 121.250 120.469 0.781 18375 10876 1 18 . 1 1 104 104 GLU HA H 104 4.260 4.260 4.144 0.116 18375 10877 1 18 . 1 1 104 104 GLU C C 104 178.240 178.240 178.759 -0.519 18375 10878 1 18 . 1 1 104 104 GLU CA C 104 57.960 57.960 57.976 -0.016 18375 10879 1 18 . 1 1 104 104 GLU CB C 104 32.210 32.210 29.928 2.282 18375 10880 1 18 . 1 1 104 104 GLU H H 104 7.560 7.560 7.863 -0.303 18375 10881 1 18 . 1 1 105 105 ALA N N 105 121.520 121.520 123.089 -1.569 18375 10882 1 18 . 1 1 105 105 ALA HA H 105 4.060 4.060 4.371 -0.311 18375 10883 1 18 . 1 1 105 105 ALA C C 105 170.230 170.230 179.889 -9.659 18375 10884 1 18 . 1 1 105 105 ALA CA C 105 57.080 57.080 54.953 2.127 18375 10885 1 18 . 1 1 105 105 ALA CB C 105 19.320 19.320 18.302 1.018 18375 10886 1 18 . 1 1 105 105 ALA H H 105 8.280 8.280 8.541 -0.261 18375 10887 1 18 . 1 1 106 106 GLY N N 106 121.950 121.950 104.873 17.077 18375 10888 1 18 . 1 1 106 106 GLY C C 106 174.110 174.110 174.918 -0.808 18375 10889 1 18 . 1 1 106 106 GLY CA C 106 46.780 46.780 45.710 1.070 18375 10890 1 18 . 1 1 106 106 GLY H H 106 8.360 8.360 8.084 0.276 18375 10891 1 18 . 1 1 107 107 ASN N N 107 117.130 117.130 117.339 -0.209 18375 10892 1 18 . 1 1 107 107 ASN HA H 107 4.480 4.480 4.375 0.105 18375 10893 1 18 . 1 1 107 107 ASN C C 107 175.110 175.110 175.126 -0.016 18375 10894 1 18 . 1 1 107 107 ASN CA C 107 54.220 54.220 53.880 0.340 18375 10895 1 18 . 1 1 107 107 ASN CB C 107 38.890 38.890 39.085 -0.195 18375 10896 1 18 . 1 1 107 107 ASN H H 107 7.830 7.830 7.457 0.373 18375 10897 1 18 . 1 1 108 108 TYR N N 108 117.300 117.300 118.655 -1.355 18375 10898 1 18 . 1 1 108 108 TYR HA H 108 4.620 4.620 4.759 -0.139 18375 10899 1 18 . 1 1 108 108 TYR C C 108 174.810 174.810 175.729 -0.919 18375 10900 1 18 . 1 1 108 108 TYR CA C 108 58.700 58.700 58.496 0.204 18375 10901 1 18 . 1 1 108 108 TYR CB C 108 41.260 41.260 39.087 2.173 18375 10902 1 18 . 1 1 108 108 TYR H H 108 7.020 7.020 7.399 -0.379 18375 10903 1 18 . 1 1 109 109 ASN N N 109 117.260 117.260 119.937 -2.677 18375 10904 1 18 . 1 1 109 109 ASN HA H 109 5.020 5.020 5.188 -0.168 18375 10905 1 18 . 1 1 109 109 ASN C C 109 173.590 173.590 174.133 -0.543 18375 10906 1 18 . 1 1 109 109 ASN CA C 109 53.140 53.140 53.305 -0.165 18375 10907 1 18 . 1 1 109 109 ASN CB C 109 41.590 41.590 41.008 0.582 18375 10908 1 18 . 1 1 109 109 ASN H H 109 7.910 7.910 8.837 -0.927 18375 10909 1 18 . 1 1 110 110 TYR N N 110 117.410 117.410 115.810 1.600 18375 10910 1 18 . 1 1 110 110 TYR HA H 110 5.300 5.300 5.080 0.220 18375 10911 1 18 . 1 1 110 110 TYR C C 110 174.450 174.450 173.550 0.900 18375 10912 1 18 . 1 1 110 110 TYR CA C 110 57.740 57.740 55.316 2.425 18375 10913 1 18 . 1 1 110 110 TYR CB C 110 41.580 41.580 40.791 0.789 18375 10914 1 18 . 1 1 110 110 TYR H H 110 9.340 9.340 8.581 0.759 18375 10915 1 18 . 1 1 111 111 ILE N N 111 123.080 123.080 115.802 7.278 18375 10916 1 18 . 1 1 111 111 ILE HA H 111 4.360 4.360 4.586 -0.226 18375 10917 1 18 . 1 1 111 111 ILE C C 111 175.250 175.250 174.082 1.168 18375 10918 1 18 . 1 1 111 111 ILE CA C 111 61.530 61.530 59.836 1.694 18375 10919 1 18 . 1 1 111 111 ILE CB C 111 40.560 40.560 40.369 0.191 18375 10920 1 18 . 1 1 111 111 ILE H H 111 9.320 9.320 8.249 1.071 18375 10921 1 18 . 1 1 112 112 HIS N N 112 109.020 109.020 125.673 -16.653 18375 10922 1 18 . 1 1 112 112 HIS HA H 112 4.560 4.560 4.634 -0.074 18375 10923 1 18 . 1 1 112 112 HIS C C 112 173.980 173.980 174.651 -0.671 18375 10924 1 18 . 1 1 112 112 HIS CA C 112 57.550 57.550 55.970 1.580 18375 10925 1 18 . 1 1 112 112 HIS CB C 112 31.350 31.350 32.087 -0.737 18375 10926 1 18 . 1 1 112 112 HIS H H 112 8.710 8.710 8.556 0.154 18375 10927 1 19 . 1 1 3 3 SER HA H 3 4.510 4.510 4.582 -0.072 18375 10928 1 19 . 1 1 3 3 SER C C 3 174.460 174.460 173.827 0.633 18375 10929 1 19 . 1 1 3 3 SER CA C 3 59.400 59.400 58.443 0.958 18375 10930 1 19 . 1 1 3 3 SER CB C 3 64.820 64.820 61.692 3.128 18375 10931 1 19 . 1 1 4 4 ILE N N 4 121.890 121.890 119.464 2.426 18375 10932 1 19 . 1 1 4 4 ILE HA H 4 4.210 4.210 4.636 -0.426 18375 10933 1 19 . 1 1 4 4 ILE C C 4 176.040 176.040 174.835 1.205 18375 10934 1 19 . 1 1 4 4 ILE CA C 4 62.180 62.180 60.304 1.875 18375 10935 1 19 . 1 1 4 4 ILE CB C 4 39.930 39.930 39.931 -0.001 18375 10936 1 19 . 1 1 4 4 ILE H H 4 8.180 8.180 7.685 0.495 18375 10937 1 19 . 1 1 5 5 SER N N 5 119.230 119.230 121.401 -2.171 18375 10938 1 19 . 1 1 5 5 SER C C 5 174.290 174.290 174.734 -0.444 18375 10939 1 19 . 1 1 5 5 SER CA C 5 59.140 59.140 59.066 0.074 18375 10940 1 19 . 1 1 5 5 SER CB C 5 64.930 64.930 64.026 0.904 18375 10941 1 19 . 1 1 5 5 SER H H 5 8.270 8.270 8.354 -0.084 18375 10942 1 19 . 1 1 6 6 HIS HA H 6 4.650 4.650 4.393 0.257 18375 10943 1 19 . 1 1 6 6 HIS CA C 6 57.240 57.240 56.889 0.352 18375 10944 1 19 . 1 1 6 6 HIS CB C 6 31.150 31.150 29.154 1.996 18375 10945 1 19 . 1 1 7 7 SER N N 7 117.260 117.260 115.635 1.625 18375 10946 1 19 . 1 1 7 7 SER HA H 7 4.430 4.430 4.911 -0.481 18375 10947 1 19 . 1 1 7 7 SER C C 7 174.890 174.890 175.549 -0.659 18375 10948 1 19 . 1 1 7 7 SER CA C 7 59.750 59.750 57.545 2.205 18375 10949 1 19 . 1 1 7 7 SER CB C 7 64.890 64.890 63.810 1.080 18375 10950 1 19 . 1 1 7 7 SER H H 7 8.360 8.360 7.955 0.405 18375 10951 1 19 . 1 1 8 8 GLY N N 8 110.140 110.140 113.470 -3.330 18375 10952 1 19 . 1 1 8 8 GLY C C 8 173.340 173.340 174.362 -1.022 18375 10953 1 19 . 1 1 8 8 GLY CA C 8 45.920 45.920 45.028 0.892 18375 10954 1 19 . 1 1 8 8 GLY H H 8 8.500 8.500 8.939 -0.439 18375 10955 1 19 . 1 1 9 9 ASN N N 9 118.840 118.840 117.554 1.286 18375 10956 1 19 . 1 1 9 9 ASN HA H 9 3.430 3.430 4.952 -1.522 18375 10957 1 19 . 1 1 9 9 ASN C C 9 175.460 175.460 176.109 -0.649 18375 10958 1 19 . 1 1 9 9 ASN CA C 9 53.400 53.400 51.706 1.694 18375 10959 1 19 . 1 1 9 9 ASN CB C 9 38.780 38.780 40.457 -1.677 18375 10960 1 19 . 1 1 9 9 ASN H H 9 8.280 8.280 7.600 0.680 18375 10961 1 19 . 1 1 10 10 LEU N N 10 125.560 125.560 122.172 3.388 18375 10962 1 19 . 1 1 10 10 LEU HA H 10 4.250 4.250 4.171 0.079 18375 10963 1 19 . 1 1 10 10 LEU C C 10 177.320 177.320 176.941 0.379 18375 10964 1 19 . 1 1 10 10 LEU CA C 10 55.080 55.080 56.413 -1.333 18375 10965 1 19 . 1 1 10 10 LEU CB C 10 42.110 42.110 42.129 -0.019 18375 10966 1 19 . 1 1 10 10 LEU H H 10 6.850 6.850 8.548 -1.698 18375 10967 1 19 . 1 1 11 11 TYR N N 11 120.920 120.920 117.124 3.796 18375 10968 1 19 . 1 1 11 11 TYR HA H 11 4.350 4.350 4.482 -0.132 18375 10969 1 19 . 1 1 11 11 TYR C C 11 174.800 174.800 177.243 -2.443 18375 10970 1 19 . 1 1 11 11 TYR CA C 11 60.200 60.200 59.021 1.179 18375 10971 1 19 . 1 1 11 11 TYR CB C 11 38.520 38.520 40.164 -1.644 18375 10972 1 19 . 1 1 11 11 TYR H H 11 7.680 7.680 7.774 -0.094 18375 10973 1 19 . 1 1 12 12 THR N N 12 118.320 118.320 115.771 2.549 18375 10974 1 19 . 1 1 12 12 THR HA H 12 3.680 3.680 4.091 -0.411 18375 10975 1 19 . 1 1 12 12 THR C C 12 173.180 173.180 173.200 -0.020 18375 10976 1 19 . 1 1 12 12 THR CA C 12 65.310 65.310 64.907 0.403 18375 10977 1 19 . 1 1 12 12 THR CB C 12 70.080 70.080 69.191 0.889 18375 10978 1 19 . 1 1 12 12 THR H H 12 8.320 8.320 8.579 -0.259 18375 10979 1 19 . 1 1 13 13 ALA N N 13 111.540 111.540 120.913 -9.373 18375 10980 1 19 . 1 1 13 13 ALA HA H 13 3.690 3.690 2.952 0.738 18375 10981 1 19 . 1 1 13 13 ALA CA C 13 53.700 53.700 51.337 2.362 18375 10982 1 19 . 1 1 13 13 ALA H H 13 8.150 8.150 7.426 0.724 18375 10983 1 19 . 1 1 14 14 GLY N N 14 109.410 109.410 107.500 1.910 18375 10984 1 19 . 1 1 14 14 GLY C C 14 173.310 173.310 174.100 -0.790 18375 10985 1 19 . 1 1 14 14 GLY CA C 14 44.150 44.150 45.007 -0.857 18375 10986 1 19 . 1 1 14 14 GLY H H 14 4.990 4.990 6.795 -1.805 18375 10987 1 19 . 1 1 15 15 GLN N N 15 115.720 115.720 117.095 -1.375 18375 10988 1 19 . 1 1 15 15 GLN HA H 15 4.410 4.410 4.462 -0.052 18375 10989 1 19 . 1 1 15 15 GLN C C 15 176.310 176.310 177.106 -0.796 18375 10990 1 19 . 1 1 15 15 GLN CA C 15 55.570 55.570 55.365 0.205 18375 10991 1 19 . 1 1 15 15 GLN CB C 15 31.180 31.180 30.637 0.543 18375 10992 1 19 . 1 1 15 15 GLN H H 15 7.170 7.170 7.967 -0.797 18375 10993 1 19 . 1 1 16 16 CYS N N 16 118.020 118.020 118.426 -0.406 18375 10994 1 19 . 1 1 16 16 CYS HA H 16 4.590 4.590 4.622 -0.032 18375 10995 1 19 . 1 1 16 16 CYS C C 16 176.730 176.730 176.698 0.032 18375 10996 1 19 . 1 1 16 16 CYS CA C 16 61.050 61.050 61.303 -0.253 18375 10997 1 19 . 1 1 16 16 CYS CB C 16 28.600 28.600 28.079 0.520 18375 10998 1 19 . 1 1 16 16 CYS H H 16 9.300 9.300 8.718 0.582 18375 10999 1 19 . 1 1 17 17 THR N N 17 113.910 113.910 110.382 3.528 18375 11000 1 19 . 1 1 17 17 THR HA H 17 3.180 3.180 4.489 -1.309 18375 11001 1 19 . 1 1 17 17 THR C C 17 174.260 174.260 174.996 -0.736 18375 11002 1 19 . 1 1 17 17 THR CA C 17 62.800 62.800 63.308 -0.508 18375 11003 1 19 . 1 1 17 17 THR CB C 17 69.000 69.000 67.405 1.595 18375 11004 1 19 . 1 1 17 17 THR H H 17 7.300 7.300 8.194 -0.894 18375 11005 1 19 . 1 1 18 18 TRP N N 18 123.650 123.650 124.754 -1.104 18375 11006 1 19 . 1 1 18 18 TRP HA H 18 4.380 4.380 4.649 -0.269 18375 11007 1 19 . 1 1 18 18 TRP C C 18 177.910 177.910 177.260 0.650 18375 11008 1 19 . 1 1 18 18 TRP CA C 18 61.600 61.600 61.103 0.497 18375 11009 1 19 . 1 1 18 18 TRP CB C 18 31.320 31.320 30.605 0.716 18375 11010 1 19 . 1 1 18 18 TRP H H 18 6.640 6.640 7.693 -1.053 18375 11011 1 19 . 1 1 19 19 TYR N N 19 115.660 115.660 120.617 -4.957 18375 11012 1 19 . 1 1 19 19 TYR HA H 19 4.120 4.120 4.216 -0.096 18375 11013 1 19 . 1 1 19 19 TYR C C 19 177.170 177.170 177.324 -0.154 18375 11014 1 19 . 1 1 19 19 TYR CA C 19 61.370 61.370 61.671 -0.301 18375 11015 1 19 . 1 1 19 19 TYR CB C 19 42.110 42.110 38.674 3.436 18375 11016 1 19 . 1 1 19 19 TYR H H 19 7.680 7.680 9.158 -1.478 18375 11017 1 19 . 1 1 20 20 VAL N N 20 116.740 116.740 118.279 -1.539 18375 11018 1 19 . 1 1 20 20 VAL HA H 20 3.030 3.030 3.621 -0.591 18375 11019 1 19 . 1 1 20 20 VAL C C 20 176.410 176.410 177.821 -1.411 18375 11020 1 19 . 1 1 20 20 VAL CA C 20 68.360 68.360 67.059 1.301 18375 11021 1 19 . 1 1 20 20 VAL CB C 20 32.210 32.210 31.478 0.732 18375 11022 1 19 . 1 1 20 20 VAL H H 20 7.450 7.450 8.002 -0.552 18375 11023 1 19 . 1 1 21 21 TYR N N 21 118.550 118.550 120.022 -1.472 18375 11024 1 19 . 1 1 21 21 TYR HA H 21 3.560 3.560 4.245 -0.685 18375 11025 1 19 . 1 1 21 21 TYR C C 21 176.490 176.490 177.124 -0.634 18375 11026 1 19 . 1 1 21 21 TYR CA C 21 63.990 63.990 61.317 2.673 18375 11027 1 19 . 1 1 21 21 TYR CB C 21 38.970 38.970 38.329 0.641 18375 11028 1 19 . 1 1 21 21 TYR H H 21 8.370 8.370 7.887 0.483 18375 11029 1 19 . 1 1 22 22 ASP N N 22 115.760 115.760 119.152 -3.392 18375 11030 1 19 . 1 1 22 22 ASP HA H 22 4.260 4.260 4.061 0.199 18375 11031 1 19 . 1 1 22 22 ASP C C 22 169.690 169.690 178.941 -9.251 18375 11032 1 19 . 1 1 22 22 ASP CA C 22 58.010 58.010 57.419 0.591 18375 11033 1 19 . 1 1 22 22 ASP CB C 22 41.770 41.770 40.395 1.375 18375 11034 1 19 . 1 1 22 22 ASP H H 22 6.880 6.880 7.865 -0.985 18375 11035 1 19 . 1 1 23 23 LYS N N 23 121.790 121.790 118.867 2.923 18375 11036 1 19 . 1 1 23 23 LYS HA H 23 3.610 3.610 3.778 -0.168 18375 11037 1 19 . 1 1 23 23 LYS C C 23 178.360 178.360 178.296 0.064 18375 11038 1 19 . 1 1 23 23 LYS CA C 23 57.990 57.990 57.724 0.266 18375 11039 1 19 . 1 1 23 23 LYS CB C 23 31.350 31.350 31.417 -0.067 18375 11040 1 19 . 1 1 23 23 LYS H H 23 7.820 7.820 7.949 -0.129 18375 11041 1 19 . 1 1 24 24 VAL N N 24 108.790 108.790 111.227 -2.437 18375 11042 1 19 . 1 1 24 24 VAL HA H 24 4.390 4.390 4.184 0.206 18375 11043 1 19 . 1 1 24 24 VAL C C 24 176.840 176.840 176.377 0.463 18375 11044 1 19 . 1 1 24 24 VAL CA C 24 61.430 61.430 61.556 -0.126 18375 11045 1 19 . 1 1 24 24 VAL CB C 24 31.690 31.690 30.789 0.901 18375 11046 1 19 . 1 1 24 24 VAL H H 24 7.590 7.590 7.400 0.190 18375 11047 1 19 . 1 1 25 25 GLY N N 25 110.620 110.620 108.450 2.170 18375 11048 1 19 . 1 1 25 25 GLY C C 25 175.510 175.510 175.054 0.456 18375 11049 1 19 . 1 1 25 25 GLY CA C 25 47.110 47.110 45.090 2.020 18375 11050 1 19 . 1 1 25 25 GLY H H 25 7.680 7.680 7.525 0.155 18375 11051 1 19 . 1 1 26 26 GLY N N 26 122.410 122.410 107.267 15.143 18375 11052 1 19 . 1 1 26 26 GLY C C 26 174.470 174.470 173.852 0.618 18375 11053 1 19 . 1 1 26 26 GLY CA C 26 46.440 46.440 44.795 1.645 18375 11054 1 19 . 1 1 26 26 GLY H H 26 7.870 7.870 7.953 -0.083 18375 11055 1 19 . 1 1 27 27 GLU N N 27 116.720 116.720 119.150 -2.430 18375 11056 1 19 . 1 1 27 27 GLU HA H 27 4.150 4.150 4.237 -0.087 18375 11057 1 19 . 1 1 27 27 GLU C C 27 175.810 175.810 175.915 -0.105 18375 11058 1 19 . 1 1 27 27 GLU CA C 27 58.110 58.110 56.916 1.194 18375 11059 1 19 . 1 1 27 27 GLU CB C 27 30.500 30.500 30.699 -0.199 18375 11060 1 19 . 1 1 27 27 GLU H H 27 6.650 6.650 7.903 -1.253 18375 11061 1 19 . 1 1 28 28 ILE N N 28 125.210 125.210 117.872 7.338 18375 11062 1 19 . 1 1 28 28 ILE HA H 28 4.040 4.040 4.313 -0.273 18375 11063 1 19 . 1 1 28 28 ILE CA C 28 60.160 60.160 61.082 -0.922 18375 11064 1 19 . 1 1 28 28 ILE CB C 28 40.940 40.940 37.935 3.005 18375 11065 1 19 . 1 1 28 28 ILE H H 28 6.330 6.330 7.787 -1.457 18375 11066 1 19 . 1 1 29 29 GLY C C 29 174.050 174.050 174.653 -0.603 18375 11067 1 19 . 1 1 29 29 GLY CA C 29 46.190 46.190 45.124 1.066 18375 11068 1 19 . 1 1 30 30 SER N N 30 115.530 115.530 114.786 0.744 18375 11069 1 19 . 1 1 30 30 SER HA H 30 4.140 4.140 3.534 0.606 18375 11070 1 19 . 1 1 30 30 SER C C 30 174.000 174.000 174.114 -0.114 18375 11071 1 19 . 1 1 30 30 SER CA C 30 60.180 60.180 58.962 1.218 18375 11072 1 19 . 1 1 30 30 SER CB C 30 65.150 65.150 63.431 1.719 18375 11073 1 19 . 1 1 30 30 SER H H 30 8.540 8.540 8.455 0.085 18375 11074 1 19 . 1 1 31 31 THR N N 31 124.440 124.440 114.571 9.869 18375 11075 1 19 . 1 1 31 31 THR HA H 31 4.460 4.460 4.546 -0.086 18375 11076 1 19 . 1 1 31 31 THR C C 31 175.390 175.390 173.660 1.730 18375 11077 1 19 . 1 1 31 31 THR CA C 31 61.350 61.350 60.954 0.396 18375 11078 1 19 . 1 1 31 31 THR CB C 31 69.190 69.190 69.366 -0.176 18375 11079 1 19 . 1 1 31 31 THR H H 31 7.070 7.070 7.575 -0.505 18375 11080 1 19 . 1 1 32 32 TRP N N 32 121.120 121.120 121.028 0.092 18375 11081 1 19 . 1 1 32 32 TRP HA H 32 4.470 4.470 4.462 0.008 18375 11082 1 19 . 1 1 32 32 TRP C C 32 175.720 175.720 176.707 -0.987 18375 11083 1 19 . 1 1 32 32 TRP CA C 32 57.500 57.500 55.256 2.244 18375 11084 1 19 . 1 1 32 32 TRP CB C 32 28.670 28.670 27.723 0.947 18375 11085 1 19 . 1 1 32 32 TRP H H 32 7.750 7.750 7.284 0.466 18375 11086 1 19 . 1 1 33 33 GLY N N 33 125.330 125.330 110.329 15.001 18375 11087 1 19 . 1 1 33 33 GLY C C 33 175.520 175.520 173.386 2.134 18375 11088 1 19 . 1 1 33 33 GLY CA C 33 46.390 46.390 45.555 0.835 18375 11089 1 19 . 1 1 33 33 GLY H H 33 8.580 8.580 8.383 0.197 18375 11090 1 19 . 1 1 34 34 ASN N N 34 118.870 118.870 120.247 -1.377 18375 11091 1 19 . 1 1 34 34 ASN HA H 34 4.720 4.720 5.282 -0.562 18375 11092 1 19 . 1 1 34 34 ASN C C 34 175.710 175.710 176.466 -0.756 18375 11093 1 19 . 1 1 34 34 ASN CA C 34 54.630 54.630 51.617 3.013 18375 11094 1 19 . 1 1 34 34 ASN CB C 34 40.050 40.050 41.137 -1.087 18375 11095 1 19 . 1 1 34 34 ASN H H 34 8.780 8.780 8.358 0.422 18375 11096 1 19 . 1 1 35 35 ALA N N 35 121.960 121.960 123.101 -1.141 18375 11097 1 19 . 1 1 35 35 ALA HA H 35 2.920 2.920 3.619 -0.699 18375 11098 1 19 . 1 1 35 35 ALA C C 35 169.710 169.710 179.508 -9.798 18375 11099 1 19 . 1 1 35 35 ALA CA C 35 55.950 55.950 55.237 0.713 18375 11100 1 19 . 1 1 35 35 ALA CB C 35 20.460 20.460 18.329 2.131 18375 11101 1 19 . 1 1 35 35 ALA H H 35 8.750 8.750 9.103 -0.353 18375 11102 1 19 . 1 1 36 36 ASN N N 36 114.940 114.940 115.023 -0.083 18375 11103 1 19 . 1 1 36 36 ASN HA H 36 4.170 4.170 4.548 -0.378 18375 11104 1 19 . 1 1 36 36 ASN C C 36 175.200 175.200 176.052 -0.852 18375 11105 1 19 . 1 1 36 36 ASN CA C 36 55.930 55.930 54.415 1.515 18375 11106 1 19 . 1 1 36 36 ASN CB C 36 36.690 36.690 38.326 -1.636 18375 11107 1 19 . 1 1 36 36 ASN H H 36 8.410 8.410 8.626 -0.216 18375 11108 1 19 . 1 1 37 37 ASN N N 37 120.180 120.180 116.771 3.409 18375 11109 1 19 . 1 1 37 37 ASN HA H 37 5.060 5.060 4.962 0.098 18375 11110 1 19 . 1 1 37 37 ASN C C 37 176.530 176.530 176.152 0.378 18375 11111 1 19 . 1 1 37 37 ASN CA C 37 54.250 54.250 53.253 0.997 18375 11112 1 19 . 1 1 37 37 ASN CB C 37 41.720 41.720 39.566 2.154 18375 11113 1 19 . 1 1 37 37 ASN H H 37 8.850 8.850 7.997 0.853 18375 11114 1 19 . 1 1 38 38 TRP N N 38 118.410 118.410 123.289 -4.879 18375 11115 1 19 . 1 1 38 38 TRP HA H 38 4.190 4.190 4.345 -0.155 18375 11116 1 19 . 1 1 38 38 TRP C C 38 177.390 177.390 178.129 -0.739 18375 11117 1 19 . 1 1 38 38 TRP CA C 38 63.450 63.450 62.401 1.049 18375 11118 1 19 . 1 1 38 38 TRP CB C 38 29.680 29.680 28.815 0.865 18375 11119 1 19 . 1 1 38 38 TRP H H 38 8.240 8.240 7.921 0.319 18375 11120 1 19 . 1 1 39 39 ALA N N 39 118.400 118.400 119.953 -1.553 18375 11121 1 19 . 1 1 39 39 ALA HA H 39 3.770 3.770 3.943 -0.173 18375 11122 1 19 . 1 1 39 39 ALA C C 39 178.580 178.580 179.608 -1.028 18375 11123 1 19 . 1 1 39 39 ALA CA C 39 56.760 56.760 55.569 1.191 18375 11124 1 19 . 1 1 39 39 ALA CB C 39 18.020 18.020 17.486 0.534 18375 11125 1 19 . 1 1 39 39 ALA H H 39 7.150 7.150 8.896 -1.746 18375 11126 1 19 . 1 1 40 40 ALA N N 40 121.830 121.830 121.587 0.243 18375 11127 1 19 . 1 1 40 40 ALA HA H 40 3.990 3.990 4.022 -0.032 18375 11128 1 19 . 1 1 40 40 ALA C C 40 171.320 171.320 179.422 -8.102 18375 11129 1 19 . 1 1 40 40 ALA CA C 40 55.610 55.610 54.649 0.961 18375 11130 1 19 . 1 1 40 40 ALA CB C 40 18.840 18.840 18.386 0.454 18375 11131 1 19 . 1 1 40 40 ALA H H 40 8.060 8.060 7.653 0.407 18375 11132 1 19 . 1 1 41 41 ALA N N 41 122.200 122.200 120.666 1.534 18375 11133 1 19 . 1 1 41 41 ALA HA H 41 3.630 3.630 3.928 -0.298 18375 11134 1 19 . 1 1 41 41 ALA C C 41 170.110 170.110 179.245 -9.135 18375 11135 1 19 . 1 1 41 41 ALA CA C 41 55.240 55.240 54.749 0.491 18375 11136 1 19 . 1 1 41 41 ALA CB C 41 18.020 18.020 18.698 -0.678 18375 11137 1 19 . 1 1 41 41 ALA H H 41 8.250 8.250 8.304 -0.054 18375 11138 1 19 . 1 1 42 42 ALA N N 42 119.600 119.600 120.856 -1.256 18375 11139 1 19 . 1 1 42 42 ALA HA H 42 3.270 3.270 3.315 -0.045 18375 11140 1 19 . 1 1 42 42 ALA C C 42 170.160 170.160 179.609 -9.449 18375 11141 1 19 . 1 1 42 42 ALA CA C 42 55.480 55.480 54.680 0.800 18375 11142 1 19 . 1 1 42 42 ALA CB C 42 19.890 19.890 18.149 1.741 18375 11143 1 19 . 1 1 42 42 ALA H H 42 7.710 7.710 8.728 -1.018 18375 11144 1 19 . 1 1 43 43 GLN N N 43 118.750 118.750 117.831 0.919 18375 11145 1 19 . 1 1 43 43 GLN HA H 43 4.340 4.340 4.256 0.084 18375 11146 1 19 . 1 1 43 43 GLN C C 43 170.980 170.980 178.784 -7.804 18375 11147 1 19 . 1 1 43 43 GLN CA C 43 60.200 60.200 57.838 2.362 18375 11148 1 19 . 1 1 43 43 GLN CB C 43 29.710 29.710 28.978 0.732 18375 11149 1 19 . 1 1 43 43 GLN H H 43 7.880 7.880 7.954 -0.074 18375 11150 1 19 . 1 1 44 44 GLY N N 44 125.760 125.760 105.387 20.373 18375 11151 1 19 . 1 1 44 44 GLY C C 44 174.300 174.300 174.336 -0.036 18375 11152 1 19 . 1 1 44 44 GLY CA C 44 47.660 47.660 45.659 2.001 18375 11153 1 19 . 1 1 44 44 GLY H H 44 8.010 8.010 7.775 0.235 18375 11154 1 19 . 1 1 45 45 ALA N N 45 121.480 121.480 121.864 -0.384 18375 11155 1 19 . 1 1 45 45 ALA HA H 45 4.620 4.620 4.414 0.206 18375 11156 1 19 . 1 1 45 45 ALA C C 45 177.190 177.190 176.908 0.282 18375 11157 1 19 . 1 1 45 45 ALA CA C 45 52.680 52.680 51.319 1.361 18375 11158 1 19 . 1 1 45 45 ALA CB C 45 20.560 20.560 18.848 1.712 18375 11159 1 19 . 1 1 45 45 ALA H H 45 7.540 7.540 7.282 0.258 18375 11160 1 19 . 1 1 46 46 GLY N N 46 123.690 123.690 106.581 17.109 18375 11161 1 19 . 1 1 46 46 GLY C C 46 174.980 174.980 174.428 0.552 18375 11162 1 19 . 1 1 46 46 GLY CA C 46 46.540 46.540 44.734 1.806 18375 11163 1 19 . 1 1 46 46 GLY H H 46 7.680 7.680 7.334 0.346 18375 11164 1 19 . 1 1 47 47 PHE N N 47 119.960 119.960 119.998 -0.038 18375 11165 1 19 . 1 1 47 47 PHE HA H 47 4.620 4.620 4.809 -0.189 18375 11166 1 19 . 1 1 47 47 PHE C C 47 176.120 176.120 176.007 0.113 18375 11167 1 19 . 1 1 47 47 PHE CA C 47 59.000 59.000 54.949 4.051 18375 11168 1 19 . 1 1 47 47 PHE CB C 47 40.350 40.350 38.803 1.547 18375 11169 1 19 . 1 1 47 47 PHE H H 47 8.280 8.280 7.867 0.413 18375 11170 1 19 . 1 1 48 48 THR N N 48 120.680 120.680 119.163 1.517 18375 11171 1 19 . 1 1 48 48 THR HA H 48 4.190 4.190 4.585 -0.395 18375 11172 1 19 . 1 1 48 48 THR C C 48 173.000 173.000 172.971 0.029 18375 11173 1 19 . 1 1 48 48 THR CA C 48 65.150 65.150 61.927 3.223 18375 11174 1 19 . 1 1 48 48 THR CB C 48 70.530 70.530 69.118 1.412 18375 11175 1 19 . 1 1 48 48 THR H H 48 9.260 9.260 8.949 0.311 18375 11176 1 19 . 1 1 49 49 VAL N N 49 111.320 111.320 122.169 -10.849 18375 11177 1 19 . 1 1 49 49 VAL HA H 49 5.380 5.380 5.109 0.271 18375 11178 1 19 . 1 1 49 49 VAL C C 49 175.570 175.570 175.192 0.378 18375 11179 1 19 . 1 1 49 49 VAL CA C 49 61.510 61.510 60.148 1.362 18375 11180 1 19 . 1 1 49 49 VAL CB C 49 34.960 34.960 33.890 1.070 18375 11181 1 19 . 1 1 49 49 VAL H H 49 8.560 8.560 8.539 0.021 18375 11182 1 19 . 1 1 50 50 ASN N N 50 125.000 125.000 124.324 0.676 18375 11183 1 19 . 1 1 50 50 ASN HA H 50 4.800 4.800 4.995 -0.195 18375 11184 1 19 . 1 1 50 50 ASN C C 50 174.270 174.270 174.584 -0.314 18375 11185 1 19 . 1 1 50 50 ASN CA C 50 53.430 53.430 52.974 0.456 18375 11186 1 19 . 1 1 50 50 ASN CB C 50 39.100 39.100 40.201 -1.101 18375 11187 1 19 . 1 1 50 50 ASN H H 50 9.010 9.010 8.808 0.202 18375 11188 1 19 . 1 1 51 51 HIS N N 51 114.650 114.650 117.314 -2.664 18375 11189 1 19 . 1 1 51 51 HIS HA H 51 5.760 5.760 4.404 1.356 18375 11190 1 19 . 1 1 51 51 HIS C C 51 174.060 174.060 173.019 1.041 18375 11191 1 19 . 1 1 51 51 HIS CA C 51 56.360 56.360 56.812 -0.452 18375 11192 1 19 . 1 1 51 51 HIS CB C 51 29.980 29.980 27.349 2.631 18375 11193 1 19 . 1 1 51 51 HIS H H 51 8.550 8.550 8.376 0.174 18375 11194 1 19 . 1 1 52 52 THR N N 52 119.910 119.910 116.263 3.647 18375 11195 1 19 . 1 1 52 52 THR HA H 52 4.600 4.600 4.492 0.108 18375 11196 1 19 . 1 1 52 52 THR CA C 52 60.140 60.140 60.185 -0.045 18375 11197 1 19 . 1 1 52 52 THR CB C 52 71.890 71.890 70.779 1.111 18375 11198 1 19 . 1 1 52 52 THR H H 52 8.500 8.500 7.529 0.971 18375 11199 1 19 . 1 1 53 53 PRO HA H 53 2.920 2.920 4.221 -1.301 18375 11200 1 19 . 1 1 53 53 PRO C C 53 175.410 175.410 175.440 -0.030 18375 11201 1 19 . 1 1 53 53 PRO CA C 53 62.460 62.460 62.761 -0.301 18375 11202 1 19 . 1 1 53 53 PRO CB C 53 33.410 33.410 32.285 1.125 18375 11203 1 19 . 1 1 54 54 SER N N 54 108.990 108.990 115.975 -6.985 18375 11204 1 19 . 1 1 54 54 SER HA H 54 4.300 4.300 4.505 -0.205 18375 11205 1 19 . 1 1 54 54 SER C C 54 172.380 172.380 172.985 -0.605 18375 11206 1 19 . 1 1 54 54 SER CA C 54 58.270 58.270 56.779 1.491 18375 11207 1 19 . 1 1 54 54 SER CB C 54 66.620 66.620 65.710 0.910 18375 11208 1 19 . 1 1 54 54 SER H H 54 6.000 6.000 8.137 -2.137 18375 11209 1 19 . 1 1 55 55 LYS N N 55 124.470 124.470 124.246 0.224 18375 11210 1 19 . 1 1 55 55 LYS HA H 55 3.500 3.500 3.845 -0.345 18375 11211 1 19 . 1 1 55 55 LYS C C 55 177.150 177.150 177.541 -0.391 18375 11212 1 19 . 1 1 55 55 LYS CA C 55 59.850 59.850 57.517 2.333 18375 11213 1 19 . 1 1 55 55 LYS CB C 55 33.010 33.010 31.665 1.345 18375 11214 1 19 . 1 1 55 55 LYS H H 55 8.860 8.860 8.798 0.062 18375 11215 1 19 . 1 1 56 56 GLY N N 56 116.710 116.710 114.084 2.626 18375 11216 1 19 . 1 1 56 56 GLY C C 56 173.430 173.430 173.462 -0.032 18375 11217 1 19 . 1 1 56 56 GLY CA C 56 45.600 45.600 44.771 0.829 18375 11218 1 19 . 1 1 56 56 GLY H H 56 8.950 8.950 8.696 0.254 18375 11219 1 19 . 1 1 57 57 ALA N N 57 118.940 118.940 122.112 -3.172 18375 11220 1 19 . 1 1 57 57 ALA HA H 57 4.630 4.630 4.808 -0.178 18375 11221 1 19 . 1 1 57 57 ALA C C 57 174.570 174.570 175.332 -0.762 18375 11222 1 19 . 1 1 57 57 ALA CA C 57 51.840 51.840 50.412 1.428 18375 11223 1 19 . 1 1 57 57 ALA CB C 57 20.960 20.960 21.576 -0.617 18375 11224 1 19 . 1 1 57 57 ALA H H 57 7.420 7.420 7.782 -0.362 18375 11225 1 19 . 1 1 58 58 ILE N N 58 117.340 117.340 116.811 0.529 18375 11226 1 19 . 1 1 58 58 ILE HA H 58 4.720 4.720 4.626 0.094 18375 11227 1 19 . 1 1 58 58 ILE C C 58 176.920 176.920 174.420 2.500 18375 11228 1 19 . 1 1 58 58 ILE CA C 58 60.910 60.910 60.460 0.450 18375 11229 1 19 . 1 1 58 58 ILE CB C 58 41.820 41.820 42.426 -0.606 18375 11230 1 19 . 1 1 58 58 ILE H H 58 8.350 8.350 8.448 -0.098 18375 11231 1 19 . 1 1 59 59 LEU N N 59 112.330 112.330 124.754 -12.424 18375 11232 1 19 . 1 1 59 59 LEU HA H 59 4.220 4.220 4.750 -0.530 18375 11233 1 19 . 1 1 59 59 LEU C C 59 174.530 174.530 174.627 -0.097 18375 11234 1 19 . 1 1 59 59 LEU CA C 59 56.430 56.430 53.273 3.157 18375 11235 1 19 . 1 1 59 59 LEU CB C 59 44.160 44.160 43.927 0.233 18375 11236 1 19 . 1 1 59 59 LEU H H 59 8.430 8.430 8.854 -0.424 18375 11237 1 19 . 1 1 60 60 GLN N N 60 111.170 111.170 126.630 -15.460 18375 11238 1 19 . 1 1 60 60 GLN HA H 60 4.970 4.970 5.289 -0.319 18375 11239 1 19 . 1 1 60 60 GLN C C 60 172.980 172.980 173.994 -1.014 18375 11240 1 19 . 1 1 60 60 GLN CA C 60 56.720 56.720 53.687 3.033 18375 11241 1 19 . 1 1 60 60 GLN CB C 60 30.950 30.950 33.358 -2.408 18375 11242 1 19 . 1 1 60 60 GLN H H 60 9.490 9.490 8.729 0.761 18375 11243 1 19 . 1 1 61 61 SER N N 61 118.550 118.550 118.390 0.160 18375 11244 1 19 . 1 1 61 61 SER HA H 61 4.940 4.940 4.995 -0.055 18375 11245 1 19 . 1 1 61 61 SER C C 61 174.370 174.370 174.808 -0.438 18375 11246 1 19 . 1 1 61 61 SER CA C 61 56.570 56.570 56.235 0.335 18375 11247 1 19 . 1 1 61 61 SER CB C 61 67.130 67.130 65.270 1.860 18375 11248 1 19 . 1 1 61 61 SER H H 61 8.800 8.800 8.524 0.276 18375 11249 1 19 . 1 1 62 62 SER N N 62 120.910 120.910 120.770 0.140 18375 11250 1 19 . 1 1 62 62 SER HA H 62 4.540 4.540 4.481 0.059 18375 11251 1 19 . 1 1 62 62 SER C C 62 173.560 173.560 174.471 -0.911 18375 11252 1 19 . 1 1 62 62 SER CA C 62 59.270 59.270 59.148 0.122 18375 11253 1 19 . 1 1 62 62 SER CB C 62 64.390 64.390 63.325 1.065 18375 11254 1 19 . 1 1 62 62 SER H H 62 8.900 8.900 8.743 0.157 18375 11255 1 19 . 1 1 63 63 GLU N N 63 121.810 121.810 120.655 1.155 18375 11256 1 19 . 1 1 63 63 GLU HA H 63 4.220 4.220 4.501 -0.281 18375 11257 1 19 . 1 1 63 63 GLU C C 63 176.030 176.030 176.098 -0.068 18375 11258 1 19 . 1 1 63 63 GLU CA C 63 57.840 57.840 55.847 1.993 18375 11259 1 19 . 1 1 63 63 GLU CB C 63 32.170 32.170 30.672 1.498 18375 11260 1 19 . 1 1 63 63 GLU H H 63 8.040 8.040 7.653 0.387 18375 11261 1 19 . 1 1 64 64 GLY N N 64 125.900 125.900 108.308 17.592 18375 11262 1 19 . 1 1 64 64 GLY CA C 64 45.490 45.490 44.200 1.290 18375 11263 1 19 . 1 1 64 64 GLY H H 64 8.200 8.200 8.294 -0.094 18375 11264 1 19 . 1 1 65 65 PRO HA H 65 4.040 4.040 4.333 -0.293 18375 11265 1 19 . 1 1 65 65 PRO C C 65 177.870 177.870 176.250 1.620 18375 11266 1 19 . 1 1 65 65 PRO CA C 65 65.610 65.610 64.983 0.627 18375 11267 1 19 . 1 1 65 65 PRO CB C 65 32.160 32.160 32.102 0.058 18375 11268 1 19 . 1 1 66 66 PHE N N 66 112.970 112.970 111.490 1.480 18375 11269 1 19 . 1 1 66 66 PHE HA H 66 4.920 4.920 4.742 0.177 18375 11270 1 19 . 1 1 66 66 PHE C C 66 176.190 176.190 173.965 2.225 18375 11271 1 19 . 1 1 66 66 PHE CA C 66 57.420 57.420 55.905 1.515 18375 11272 1 19 . 1 1 66 66 PHE CB C 66 42.360 42.360 39.939 2.421 18375 11273 1 19 . 1 1 66 66 PHE H H 66 8.490 8.490 7.384 1.106 18375 11274 1 19 . 1 1 67 67 GLY N N 67 124.370 124.370 107.656 16.714 18375 11275 1 19 . 1 1 67 67 GLY C C 67 172.480 172.480 172.155 0.325 18375 11276 1 19 . 1 1 67 67 GLY CA C 67 46.860 46.860 44.304 2.556 18375 11277 1 19 . 1 1 67 67 GLY H H 67 6.940 6.940 7.382 -0.442 18375 11278 1 19 . 1 1 68 68 HIS N N 68 117.820 117.820 120.221 -2.401 18375 11279 1 19 . 1 1 68 68 HIS HA H 68 5.020 5.020 4.798 0.222 18375 11280 1 19 . 1 1 68 68 HIS C C 68 173.790 173.790 172.911 0.879 18375 11281 1 19 . 1 1 68 68 HIS CA C 68 58.230 58.230 54.286 3.944 18375 11282 1 19 . 1 1 68 68 HIS CB C 68 36.120 36.120 31.284 4.836 18375 11283 1 19 . 1 1 68 68 HIS H H 68 8.590 8.590 8.128 0.462 18375 11284 1 19 . 1 1 69 69 VAL N N 69 116.830 116.830 122.237 -5.407 18375 11285 1 19 . 1 1 69 69 VAL HA H 69 5.320 5.320 5.173 0.147 18375 11286 1 19 . 1 1 69 69 VAL C C 69 173.060 173.060 174.041 -0.981 18375 11287 1 19 . 1 1 69 69 VAL CA C 69 58.940 58.940 59.255 -0.315 18375 11288 1 19 . 1 1 69 69 VAL CB C 69 37.700 37.700 33.235 4.465 18375 11289 1 19 . 1 1 69 69 VAL H H 69 6.040 6.040 8.100 -2.060 18375 11290 1 19 . 1 1 70 70 ALA N N 70 120.820 120.820 129.371 -8.551 18375 11291 1 19 . 1 1 70 70 ALA HA H 70 4.510 4.510 4.817 -0.307 18375 11292 1 19 . 1 1 70 70 ALA C C 70 173.870 173.870 175.470 -1.600 18375 11293 1 19 . 1 1 70 70 ALA CA C 70 51.560 51.560 50.452 1.108 18375 11294 1 19 . 1 1 70 70 ALA CB C 70 26.390 26.390 22.489 3.901 18375 11295 1 19 . 1 1 70 70 ALA H H 70 8.890 8.890 8.647 0.243 18375 11296 1 19 . 1 1 71 71 TYR N N 71 121.640 121.640 126.415 -4.775 18375 11297 1 19 . 1 1 71 71 TYR HA H 71 4.890 4.890 4.466 0.424 18375 11298 1 19 . 1 1 71 71 TYR C C 71 174.620 174.620 174.277 0.343 18375 11299 1 19 . 1 1 71 71 TYR CA C 71 58.140 58.140 58.309 -0.169 18375 11300 1 19 . 1 1 71 71 TYR CB C 71 42.850 42.850 39.749 3.101 18375 11301 1 19 . 1 1 71 71 TYR H H 71 9.310 9.310 8.418 0.892 18375 11302 1 19 . 1 1 72 72 VAL N N 72 126.010 126.010 127.566 -1.556 18375 11303 1 19 . 1 1 72 72 VAL HA H 72 3.880 3.880 3.838 0.042 18375 11304 1 19 . 1 1 72 72 VAL C C 72 174.250 174.250 175.750 -1.500 18375 11305 1 19 . 1 1 72 72 VAL CA C 72 64.970 64.970 62.282 2.688 18375 11306 1 19 . 1 1 72 72 VAL CB C 72 31.470 31.470 30.372 1.098 18375 11307 1 19 . 1 1 72 72 VAL H H 72 8.230 8.230 8.638 -0.408 18375 11308 1 19 . 1 1 73 73 GLU N N 73 112.690 112.690 128.634 -15.944 18375 11309 1 19 . 1 1 73 73 GLU HA H 73 4.250 4.250 4.247 0.003 18375 11310 1 19 . 1 1 73 73 GLU C C 73 178.020 178.020 176.252 1.768 18375 11311 1 19 . 1 1 73 73 GLU CA C 73 58.400 58.400 57.876 0.524 18375 11312 1 19 . 1 1 73 73 GLU CB C 73 31.050 31.050 30.581 0.469 18375 11313 1 19 . 1 1 73 73 GLU H H 73 8.820 8.820 8.522 0.298 18375 11314 1 19 . 1 1 74 74 SER N N 74 125.880 125.880 109.331 16.549 18375 11315 1 19 . 1 1 74 74 SER HA H 74 4.330 4.330 4.529 -0.199 18375 11316 1 19 . 1 1 74 74 SER C C 74 172.030 172.030 171.627 0.403 18375 11317 1 19 . 1 1 74 74 SER CA C 74 59.220 59.220 57.744 1.476 18375 11318 1 19 . 1 1 74 74 SER CB C 74 65.620 65.620 65.141 0.479 18375 11319 1 19 . 1 1 74 74 SER H H 74 7.900 7.900 7.728 0.172 18375 11320 1 19 . 1 1 75 75 VAL N N 75 122.760 122.760 121.145 1.615 18375 11321 1 19 . 1 1 75 75 VAL HA H 75 4.320 4.320 4.161 0.159 18375 11322 1 19 . 1 1 75 75 VAL C C 75 176.270 176.270 174.833 1.437 18375 11323 1 19 . 1 1 75 75 VAL CA C 75 63.380 63.380 60.682 2.698 18375 11324 1 19 . 1 1 75 75 VAL CB C 75 32.750 32.750 33.418 -0.668 18375 11325 1 19 . 1 1 75 75 VAL H H 75 8.400 8.400 8.314 0.086 18375 11326 1 19 . 1 1 76 76 ASN N N 76 125.270 125.270 127.358 -2.088 18375 11327 1 19 . 1 1 76 76 ASN HA H 76 4.790 4.790 4.834 -0.044 18375 11328 1 19 . 1 1 76 76 ASN CA C 76 54.260 54.260 52.619 1.641 18375 11329 1 19 . 1 1 76 76 ASN CB C 76 39.960 39.960 39.047 0.913 18375 11330 1 19 . 1 1 76 76 ASN H H 76 9.080 9.080 8.973 0.107 18375 11331 1 19 . 1 1 77 77 SER HA H 77 4.130 4.130 4.300 -0.170 18375 11332 1 19 . 1 1 77 77 SER C C 77 174.410 174.410 174.676 -0.266 18375 11333 1 19 . 1 1 77 77 SER CA C 77 62.670 62.670 60.776 1.894 18375 11334 1 19 . 1 1 77 77 SER CB C 77 63.600 63.600 62.737 0.863 18375 11335 1 19 . 1 1 78 78 ASP N N 78 118.590 118.590 118.478 0.112 18375 11336 1 19 . 1 1 78 78 ASP HA H 78 4.580 4.580 4.686 -0.106 18375 11337 1 19 . 1 1 78 78 ASP C C 78 176.790 176.790 177.057 -0.267 18375 11338 1 19 . 1 1 78 78 ASP CA C 78 53.960 53.960 54.234 -0.274 18375 11339 1 19 . 1 1 78 78 ASP CB C 78 40.880 40.880 40.956 -0.076 18375 11340 1 19 . 1 1 78 78 ASP H H 78 7.980 7.980 8.203 -0.223 18375 11341 1 19 . 1 1 79 79 GLY N N 79 109.220 109.220 107.612 1.608 18375 11342 1 19 . 1 1 79 79 GLY C C 79 173.470 173.470 173.852 -0.382 18375 11343 1 19 . 1 1 79 79 GLY CA C 79 46.050 46.050 45.169 0.881 18375 11344 1 19 . 1 1 79 79 GLY H H 79 8.180 8.180 7.709 0.471 18375 11345 1 19 . 1 1 80 80 SER N N 80 114.200 114.200 117.877 -3.677 18375 11346 1 19 . 1 1 80 80 SER HA H 80 4.350 4.350 4.661 -0.311 18375 11347 1 19 . 1 1 80 80 SER C C 80 172.630 172.630 173.974 -1.344 18375 11348 1 19 . 1 1 80 80 SER CA C 80 59.580 59.580 59.194 0.386 18375 11349 1 19 . 1 1 80 80 SER CB C 80 65.710 65.710 63.842 1.868 18375 11350 1 19 . 1 1 80 80 SER H H 80 7.930 7.930 7.723 0.207 18375 11351 1 19 . 1 1 81 81 VAL N N 81 118.060 118.060 124.579 -6.519 18375 11352 1 19 . 1 1 81 81 VAL HA H 81 4.690 4.690 4.199 0.491 18375 11353 1 19 . 1 1 81 81 VAL C C 81 175.220 175.220 175.328 -0.108 18375 11354 1 19 . 1 1 81 81 VAL CA C 81 61.980 61.980 61.272 0.708 18375 11355 1 19 . 1 1 81 81 VAL CB C 81 36.810 36.810 33.864 2.946 18375 11356 1 19 . 1 1 81 81 VAL H H 81 8.820 8.820 9.154 -0.334 18375 11357 1 19 . 1 1 82 82 THR N N 82 125.170 125.170 124.558 0.612 18375 11358 1 19 . 1 1 82 82 THR HA H 82 5.190 5.190 4.806 0.384 18375 11359 1 19 . 1 1 82 82 THR C C 82 174.150 174.150 174.035 0.115 18375 11360 1 19 . 1 1 82 82 THR CA C 82 63.440 63.440 62.896 0.544 18375 11361 1 19 . 1 1 82 82 THR CB C 82 70.520 70.520 68.138 2.382 18375 11362 1 19 . 1 1 82 82 THR H H 82 9.020 9.020 8.852 0.168 18375 11363 1 19 . 1 1 83 83 ILE N N 83 120.970 120.970 124.107 -3.137 18375 11364 1 19 . 1 1 83 83 ILE HA H 83 5.640 5.640 4.936 0.704 18375 11365 1 19 . 1 1 83 83 ILE C C 83 175.030 175.030 173.986 1.044 18375 11366 1 19 . 1 1 83 83 ILE CA C 83 59.440 59.440 58.878 0.562 18375 11367 1 19 . 1 1 83 83 ILE CB C 83 42.170 42.170 41.249 0.921 18375 11368 1 19 . 1 1 83 83 ILE H H 83 9.280 9.280 9.036 0.244 18375 11369 1 19 . 1 1 84 84 SER N N 84 115.430 115.430 118.185 -2.755 18375 11370 1 19 . 1 1 84 84 SER HA H 84 5.590 5.590 5.509 0.081 18375 11371 1 19 . 1 1 84 84 SER C C 84 173.130 173.130 173.532 -0.402 18375 11372 1 19 . 1 1 84 84 SER CA C 84 58.050 58.050 56.806 1.244 18375 11373 1 19 . 1 1 84 84 SER CB C 84 67.140 67.140 65.308 1.832 18375 11374 1 19 . 1 1 84 84 SER H H 84 9.600 9.600 9.110 0.490 18375 11375 1 19 . 1 1 85 85 GLU N N 85 117.660 117.660 124.765 -7.105 18375 11376 1 19 . 1 1 85 85 GLU HA H 85 5.180 5.180 4.917 0.263 18375 11377 1 19 . 1 1 85 85 GLU C C 85 171.780 171.780 174.892 -3.112 18375 11378 1 19 . 1 1 85 85 GLU CA C 85 54.880 54.880 54.541 0.339 18375 11379 1 19 . 1 1 85 85 GLU CB C 85 33.540 33.540 30.929 2.611 18375 11380 1 19 . 1 1 85 85 GLU H H 85 8.800 8.800 8.487 0.313 18375 11381 1 19 . 1 1 86 86 MET N N 86 118.950 118.950 128.149 -9.199 18375 11382 1 19 . 1 1 86 86 MET HA H 86 5.250 5.250 4.205 1.045 18375 11383 1 19 . 1 1 86 86 MET C C 86 175.010 175.010 176.356 -1.346 18375 11384 1 19 . 1 1 86 86 MET CA C 86 53.880 53.880 56.958 -3.078 18375 11385 1 19 . 1 1 86 86 MET CB C 86 38.240 38.240 32.760 5.480 18375 11386 1 19 . 1 1 86 86 MET H H 86 8.490 8.490 8.837 -0.347 18375 11387 1 19 . 1 1 87 87 ASN N N 87 116.670 116.670 126.689 -10.019 18375 11388 1 19 . 1 1 87 87 ASN HA H 87 4.190 4.190 4.465 -0.275 18375 11389 1 19 . 1 1 87 87 ASN C C 87 174.810 174.810 175.413 -0.603 18375 11390 1 19 . 1 1 87 87 ASN CA C 87 54.520 54.520 56.301 -1.781 18375 11391 1 19 . 1 1 87 87 ASN CB C 87 39.330 39.330 37.435 1.895 18375 11392 1 19 . 1 1 87 87 ASN H H 87 8.250 8.250 9.220 -0.970 18375 11393 1 19 . 1 1 88 88 TYR N N 88 119.600 119.600 120.003 -0.403 18375 11394 1 19 . 1 1 88 88 TYR HA H 88 4.290 4.290 4.211 0.079 18375 11395 1 19 . 1 1 88 88 TYR C C 88 175.620 175.620 174.342 1.278 18375 11396 1 19 . 1 1 88 88 TYR CA C 88 60.720 60.720 59.308 1.412 18375 11397 1 19 . 1 1 88 88 TYR CB C 88 41.430 41.430 37.041 4.389 18375 11398 1 19 . 1 1 88 88 TYR H H 88 8.940 8.940 8.439 0.501 18375 11399 1 19 . 1 1 89 89 SER N N 89 113.120 113.120 111.726 1.394 18375 11400 1 19 . 1 1 89 89 SER HA H 89 4.320 4.320 4.012 0.308 18375 11401 1 19 . 1 1 89 89 SER C C 89 174.860 174.860 173.406 1.454 18375 11402 1 19 . 1 1 89 89 SER CA C 89 58.690 58.690 58.921 -0.231 18375 11403 1 19 . 1 1 89 89 SER CB C 89 65.140 65.140 61.304 3.836 18375 11404 1 19 . 1 1 89 89 SER H H 89 8.060 8.060 8.174 -0.114 18375 11405 1 19 . 1 1 90 90 GLY N N 90 110.450 110.450 110.820 -0.370 18375 11406 1 19 . 1 1 90 90 GLY C C 90 174.680 174.680 173.279 1.401 18375 11407 1 19 . 1 1 90 90 GLY CA C 90 45.950 45.950 45.430 0.520 18375 11408 1 19 . 1 1 90 90 GLY H H 90 8.180 8.180 8.842 -0.662 18375 11409 1 19 . 1 1 91 91 GLY N N 91 108.710 108.710 111.516 -2.806 18375 11410 1 19 . 1 1 91 91 GLY CA C 91 45.880 45.880 42.763 3.117 18375 11411 1 19 . 1 1 91 91 GLY H H 91 8.330 8.330 8.227 0.103 18375 11412 1 19 . 1 1 92 92 PRO HA H 92 4.040 4.040 4.109 -0.069 18375 11413 1 19 . 1 1 92 92 PRO C C 92 177.930 177.930 176.386 1.544 18375 11414 1 19 . 1 1 92 92 PRO CA C 92 64.710 64.710 63.467 1.243 18375 11415 1 19 . 1 1 92 92 PRO CB C 92 32.690 32.690 31.399 1.291 18375 11416 1 19 . 1 1 93 93 PHE N N 93 113.220 113.220 119.182 -5.962 18375 11417 1 19 . 1 1 93 93 PHE HA H 93 4.480 4.480 4.017 0.463 18375 11418 1 19 . 1 1 93 93 PHE C C 93 174.490 174.490 175.642 -1.152 18375 11419 1 19 . 1 1 93 93 PHE CA C 93 62.890 62.890 59.520 3.370 18375 11420 1 19 . 1 1 93 93 PHE CB C 93 37.410 37.410 36.905 0.505 18375 11421 1 19 . 1 1 93 93 PHE H H 93 8.350 8.350 8.048 0.302 18375 11422 1 19 . 1 1 94 94 SER N N 94 115.680 115.680 117.664 -1.984 18375 11423 1 19 . 1 1 94 94 SER HA H 94 4.620 4.620 4.380 0.240 18375 11424 1 19 . 1 1 94 94 SER C C 94 174.290 174.290 174.332 -0.042 18375 11425 1 19 . 1 1 94 94 SER CA C 94 59.150 59.150 59.058 0.092 18375 11426 1 19 . 1 1 94 94 SER CB C 94 64.690 64.690 63.059 1.631 18375 11427 1 19 . 1 1 94 94 SER H H 94 7.980 7.980 7.900 0.080 18375 11428 1 19 . 1 1 95 95 VAL N N 95 112.520 112.520 127.799 -15.279 18375 11429 1 19 . 1 1 95 95 VAL HA H 95 4.830 4.830 3.734 1.096 18375 11430 1 19 . 1 1 95 95 VAL C C 95 175.770 175.770 174.037 1.733 18375 11431 1 19 . 1 1 95 95 VAL CA C 95 62.520 62.520 61.911 0.609 18375 11432 1 19 . 1 1 95 95 VAL CB C 95 34.010 34.010 31.613 2.397 18375 11433 1 19 . 1 1 95 95 VAL H H 95 8.840 8.840 7.948 0.892 18375 11434 1 19 . 1 1 96 96 SER N N 96 122.260 122.260 123.708 -1.448 18375 11435 1 19 . 1 1 96 96 SER HA H 96 4.810 4.810 4.418 0.392 18375 11436 1 19 . 1 1 96 96 SER C C 96 172.250 172.250 173.932 -1.682 18375 11437 1 19 . 1 1 96 96 SER CA C 96 58.080 58.080 58.475 -0.395 18375 11438 1 19 . 1 1 96 96 SER CB C 96 66.590 66.590 63.609 2.981 18375 11439 1 19 . 1 1 96 96 SER H H 96 9.190 9.190 8.452 0.738 18375 11440 1 19 . 1 1 97 97 SER N N 97 112.810 112.810 122.766 -9.956 18375 11441 1 19 . 1 1 97 97 SER HA H 97 5.620 5.620 4.736 0.884 18375 11442 1 19 . 1 1 97 97 SER C C 97 174.130 174.130 173.859 0.271 18375 11443 1 19 . 1 1 97 97 SER CA C 97 57.260 57.260 58.810 -1.550 18375 11444 1 19 . 1 1 97 97 SER CB C 97 66.740 66.740 63.381 3.359 18375 11445 1 19 . 1 1 97 97 SER H H 97 8.290 8.290 8.574 -0.284 18375 11446 1 19 . 1 1 98 98 ARG N N 98 122.640 122.640 127.979 -5.339 18375 11447 1 19 . 1 1 98 98 ARG HA H 98 4.650 4.650 4.648 0.002 18375 11448 1 19 . 1 1 98 98 ARG C C 98 174.030 174.030 174.297 -0.267 18375 11449 1 19 . 1 1 98 98 ARG CA C 98 56.640 56.640 55.005 1.635 18375 11450 1 19 . 1 1 98 98 ARG CB C 98 36.240 36.240 34.401 1.839 18375 11451 1 19 . 1 1 98 98 ARG H H 98 8.380 8.380 8.428 -0.048 18375 11452 1 19 . 1 1 99 99 THR N N 99 118.220 118.220 120.575 -2.355 18375 11453 1 19 . 1 1 99 99 THR HA H 99 5.280 5.280 5.313 -0.033 18375 11454 1 19 . 1 1 99 99 THR C C 99 173.930 173.930 173.739 0.191 18375 11455 1 19 . 1 1 99 99 THR CA C 99 62.820 62.820 61.039 1.781 18375 11456 1 19 . 1 1 99 99 THR CB C 99 71.360 71.360 70.344 1.016 18375 11457 1 19 . 1 1 99 99 THR H H 99 8.650 8.650 8.462 0.188 18375 11458 1 19 . 1 1 100 100 ILE N N 100 112.130 112.130 128.242 -16.112 18375 11459 1 19 . 1 1 100 100 ILE HA H 100 4.290 4.290 4.347 -0.057 18375 11460 1 19 . 1 1 100 100 ILE C C 100 175.190 175.190 175.586 -0.396 18375 11461 1 19 . 1 1 100 100 ILE CA C 100 60.340 60.340 58.550 1.790 18375 11462 1 19 . 1 1 100 100 ILE CB C 100 40.390 40.390 37.617 2.773 18375 11463 1 19 . 1 1 100 100 ILE H H 100 9.560 9.560 9.111 0.449 18375 11464 1 19 . 1 1 101 101 SER N N 101 121.940 121.940 123.891 -1.951 18375 11465 1 19 . 1 1 101 101 SER HA H 101 4.120 4.120 4.360 -0.240 18375 11466 1 19 . 1 1 101 101 SER C C 101 174.230 174.230 175.674 -1.444 18375 11467 1 19 . 1 1 101 101 SER CA C 101 59.450 59.450 58.525 0.925 18375 11468 1 19 . 1 1 101 101 SER CB C 101 65.410 65.410 63.650 1.760 18375 11469 1 19 . 1 1 101 101 SER H H 101 8.860 8.860 8.891 -0.031 18375 11470 1 19 . 1 1 102 102 ALA N N 102 123.870 123.870 128.834 -4.964 18375 11471 1 19 . 1 1 102 102 ALA HA H 102 3.910 3.910 3.968 -0.058 18375 11472 1 19 . 1 1 102 102 ALA C C 102 170.440 170.440 179.401 -8.961 18375 11473 1 19 . 1 1 102 102 ALA CA C 102 56.360 56.360 55.430 0.930 18375 11474 1 19 . 1 1 102 102 ALA CB C 102 19.430 19.430 18.619 0.811 18375 11475 1 19 . 1 1 102 102 ALA H H 102 8.860 8.860 8.902 -0.042 18375 11476 1 19 . 1 1 103 103 SER N N 103 109.980 109.980 113.496 -3.516 18375 11477 1 19 . 1 1 103 103 SER HA H 103 4.200 4.200 4.168 0.032 18375 11478 1 19 . 1 1 103 103 SER C C 103 176.050 176.050 176.219 -0.169 18375 11479 1 19 . 1 1 103 103 SER CA C 103 61.680 61.680 60.978 0.702 18375 11480 1 19 . 1 1 103 103 SER CB C 103 63.640 63.640 62.564 1.076 18375 11481 1 19 . 1 1 103 103 SER H H 103 8.180 8.180 8.231 -0.051 18375 11482 1 19 . 1 1 104 104 GLU N N 104 121.250 121.250 121.278 -0.028 18375 11483 1 19 . 1 1 104 104 GLU HA H 104 4.260 4.260 4.099 0.161 18375 11484 1 19 . 1 1 104 104 GLU C C 104 178.240 178.240 177.741 0.499 18375 11485 1 19 . 1 1 104 104 GLU CA C 104 57.960 57.960 57.864 0.097 18375 11486 1 19 . 1 1 104 104 GLU CB C 104 32.210 32.210 29.472 2.738 18375 11487 1 19 . 1 1 104 104 GLU H H 104 7.560 7.560 7.696 -0.136 18375 11488 1 19 . 1 1 105 105 ALA N N 105 121.520 121.520 121.053 0.467 18375 11489 1 19 . 1 1 105 105 ALA HA H 105 4.060 4.060 4.400 -0.340 18375 11490 1 19 . 1 1 105 105 ALA C C 105 170.230 170.230 179.408 -9.178 18375 11491 1 19 . 1 1 105 105 ALA CA C 105 57.080 57.080 54.419 2.661 18375 11492 1 19 . 1 1 105 105 ALA CB C 105 19.320 19.320 18.366 0.954 18375 11493 1 19 . 1 1 105 105 ALA H H 105 8.280 8.280 8.168 0.112 18375 11494 1 19 . 1 1 106 106 GLY N N 106 121.950 121.950 105.063 16.887 18375 11495 1 19 . 1 1 106 106 GLY C C 106 174.110 174.110 174.712 -0.602 18375 11496 1 19 . 1 1 106 106 GLY CA C 106 46.780 46.780 45.803 0.977 18375 11497 1 19 . 1 1 106 106 GLY H H 106 8.360 8.360 7.988 0.372 18375 11498 1 19 . 1 1 107 107 ASN N N 107 117.130 117.130 119.390 -2.260 18375 11499 1 19 . 1 1 107 107 ASN HA H 107 4.480 4.480 4.444 0.036 18375 11500 1 19 . 1 1 107 107 ASN C C 107 175.110 175.110 175.313 -0.203 18375 11501 1 19 . 1 1 107 107 ASN CA C 107 54.220 54.220 53.942 0.278 18375 11502 1 19 . 1 1 107 107 ASN CB C 107 38.890 38.890 39.238 -0.348 18375 11503 1 19 . 1 1 107 107 ASN H H 107 7.830 7.830 7.356 0.474 18375 11504 1 19 . 1 1 108 108 TYR N N 108 117.300 117.300 118.828 -1.528 18375 11505 1 19 . 1 1 108 108 TYR HA H 108 4.620 4.620 4.542 0.078 18375 11506 1 19 . 1 1 108 108 TYR C C 108 174.810 174.810 176.159 -1.349 18375 11507 1 19 . 1 1 108 108 TYR CA C 108 58.700 58.700 59.042 -0.342 18375 11508 1 19 . 1 1 108 108 TYR CB C 108 41.260 41.260 38.293 2.967 18375 11509 1 19 . 1 1 108 108 TYR H H 108 7.020 7.020 7.306 -0.286 18375 11510 1 19 . 1 1 109 109 ASN N N 109 117.260 117.260 118.106 -0.846 18375 11511 1 19 . 1 1 109 109 ASN HA H 109 5.020 5.020 5.085 -0.065 18375 11512 1 19 . 1 1 109 109 ASN C C 109 173.590 173.590 173.737 -0.147 18375 11513 1 19 . 1 1 109 109 ASN CA C 109 53.140 53.140 53.145 -0.005 18375 11514 1 19 . 1 1 109 109 ASN CB C 109 41.590 41.590 41.021 0.569 18375 11515 1 19 . 1 1 109 109 ASN H H 109 7.910 7.910 8.478 -0.568 18375 11516 1 19 . 1 1 110 110 TYR N N 110 117.410 117.410 115.436 1.974 18375 11517 1 19 . 1 1 110 110 TYR HA H 110 5.300 5.300 5.239 0.061 18375 11518 1 19 . 1 1 110 110 TYR C C 110 174.450 174.450 173.534 0.916 18375 11519 1 19 . 1 1 110 110 TYR CA C 110 57.740 57.740 55.839 1.901 18375 11520 1 19 . 1 1 110 110 TYR CB C 110 41.580 41.580 41.165 0.415 18375 11521 1 19 . 1 1 110 110 TYR H H 110 9.340 9.340 8.657 0.683 18375 11522 1 19 . 1 1 111 111 ILE N N 111 123.080 123.080 119.332 3.748 18375 11523 1 19 . 1 1 111 111 ILE HA H 111 4.360 4.360 4.825 -0.465 18375 11524 1 19 . 1 1 111 111 ILE C C 111 175.250 175.250 174.256 0.994 18375 11525 1 19 . 1 1 111 111 ILE CA C 111 61.530 61.530 59.718 1.812 18375 11526 1 19 . 1 1 111 111 ILE CB C 111 40.560 40.560 39.780 0.780 18375 11527 1 19 . 1 1 111 111 ILE H H 111 9.320 9.320 8.619 0.701 18375 11528 1 19 . 1 1 112 112 HIS N N 112 109.020 109.020 123.586 -14.566 18375 11529 1 19 . 1 1 112 112 HIS HA H 112 4.560 4.560 4.748 -0.188 18375 11530 1 19 . 1 1 112 112 HIS C C 112 173.980 173.980 173.913 0.067 18375 11531 1 19 . 1 1 112 112 HIS CA C 112 57.550 57.550 53.760 3.790 18375 11532 1 19 . 1 1 112 112 HIS CB C 112 31.350 31.350 31.862 -0.512 18375 11533 1 19 . 1 1 112 112 HIS H H 112 8.710 8.710 7.832 0.878 18375 11534 1 20 . 1 1 3 3 SER HA H 3 4.510 4.510 4.626 -0.116 18375 11535 1 20 . 1 1 3 3 SER C C 3 174.460 174.460 173.497 0.963 18375 11536 1 20 . 1 1 3 3 SER CA C 3 59.400 59.400 58.442 0.958 18375 11537 1 20 . 1 1 3 3 SER CB C 3 64.820 64.820 62.746 2.074 18375 11538 1 20 . 1 1 4 4 ILE N N 4 121.890 121.890 125.093 -3.203 18375 11539 1 20 . 1 1 4 4 ILE HA H 4 4.210 4.210 4.313 -0.103 18375 11540 1 20 . 1 1 4 4 ILE C C 4 176.040 176.040 175.158 0.882 18375 11541 1 20 . 1 1 4 4 ILE CA C 4 62.180 62.180 62.169 0.011 18375 11542 1 20 . 1 1 4 4 ILE CB C 4 39.930 39.930 39.160 0.770 18375 11543 1 20 . 1 1 4 4 ILE H H 4 8.180 8.180 8.199 -0.019 18375 11544 1 20 . 1 1 5 5 SER N N 5 119.230 119.230 125.966 -6.736 18375 11545 1 20 . 1 1 5 5 SER C C 5 174.290 174.290 174.045 0.245 18375 11546 1 20 . 1 1 5 5 SER CA C 5 59.140 59.140 57.326 1.814 18375 11547 1 20 . 1 1 5 5 SER CB C 5 64.930 64.930 62.786 2.144 18375 11548 1 20 . 1 1 5 5 SER H H 5 8.270 8.270 8.913 -0.643 18375 11549 1 20 . 1 1 6 6 HIS HA H 6 4.650 4.650 4.306 0.344 18375 11550 1 20 . 1 1 6 6 HIS CA C 6 57.240 57.240 56.428 0.812 18375 11551 1 20 . 1 1 6 6 HIS CB C 6 31.150 31.150 27.827 3.323 18375 11552 1 20 . 1 1 7 7 SER N N 7 117.260 117.260 117.525 -0.265 18375 11553 1 20 . 1 1 7 7 SER HA H 7 4.430 4.430 4.431 -0.001 18375 11554 1 20 . 1 1 7 7 SER C C 7 174.890 174.890 174.483 0.407 18375 11555 1 20 . 1 1 7 7 SER CA C 7 59.750 59.750 58.772 0.978 18375 11556 1 20 . 1 1 7 7 SER CB C 7 64.890 64.890 63.562 1.328 18375 11557 1 20 . 1 1 7 7 SER H H 7 8.360 8.360 8.346 0.014 18375 11558 1 20 . 1 1 8 8 GLY N N 8 110.140 110.140 109.382 0.758 18375 11559 1 20 . 1 1 8 8 GLY C C 8 173.340 173.340 173.036 0.304 18375 11560 1 20 . 1 1 8 8 GLY CA C 8 45.920 45.920 44.932 0.988 18375 11561 1 20 . 1 1 8 8 GLY H H 8 8.500 8.500 8.317 0.183 18375 11562 1 20 . 1 1 9 9 ASN N N 9 118.840 118.840 118.346 0.494 18375 11563 1 20 . 1 1 9 9 ASN HA H 9 3.430 3.430 5.081 -1.651 18375 11564 1 20 . 1 1 9 9 ASN C C 9 175.460 175.460 176.464 -1.004 18375 11565 1 20 . 1 1 9 9 ASN CA C 9 53.400 53.400 52.030 1.370 18375 11566 1 20 . 1 1 9 9 ASN CB C 9 38.780 38.780 40.412 -1.632 18375 11567 1 20 . 1 1 9 9 ASN H H 9 8.280 8.280 8.801 -0.521 18375 11568 1 20 . 1 1 10 10 LEU N N 10 125.560 125.560 120.499 5.061 18375 11569 1 20 . 1 1 10 10 LEU HA H 10 4.250 4.250 4.180 0.070 18375 11570 1 20 . 1 1 10 10 LEU C C 10 177.320 177.320 177.647 -0.327 18375 11571 1 20 . 1 1 10 10 LEU CA C 10 55.080 55.080 56.436 -1.356 18375 11572 1 20 . 1 1 10 10 LEU CB C 10 42.110 42.110 42.115 -0.005 18375 11573 1 20 . 1 1 10 10 LEU H H 10 6.850 6.850 8.446 -1.596 18375 11574 1 20 . 1 1 11 11 TYR N N 11 120.920 120.920 117.979 2.941 18375 11575 1 20 . 1 1 11 11 TYR HA H 11 4.350 4.350 4.610 -0.260 18375 11576 1 20 . 1 1 11 11 TYR C C 11 174.800 174.800 177.152 -2.352 18375 11577 1 20 . 1 1 11 11 TYR CA C 11 60.200 60.200 57.974 2.226 18375 11578 1 20 . 1 1 11 11 TYR CB C 11 38.520 38.520 40.039 -1.519 18375 11579 1 20 . 1 1 11 11 TYR H H 11 7.680 7.680 7.689 -0.009 18375 11580 1 20 . 1 1 12 12 THR N N 12 118.320 118.320 116.012 2.308 18375 11581 1 20 . 1 1 12 12 THR HA H 12 3.680 3.680 4.011 -0.331 18375 11582 1 20 . 1 1 12 12 THR C C 12 173.180 173.180 173.034 0.146 18375 11583 1 20 . 1 1 12 12 THR CA C 12 65.310 65.310 64.406 0.904 18375 11584 1 20 . 1 1 12 12 THR CB C 12 70.080 70.080 69.064 1.016 18375 11585 1 20 . 1 1 12 12 THR H H 12 8.320 8.320 8.182 0.138 18375 11586 1 20 . 1 1 13 13 ALA N N 13 111.540 111.540 121.338 -9.798 18375 11587 1 20 . 1 1 13 13 ALA HA H 13 3.690 3.690 3.060 0.630 18375 11588 1 20 . 1 1 13 13 ALA CA C 13 53.700 53.700 51.650 2.050 18375 11589 1 20 . 1 1 13 13 ALA H H 13 8.150 8.150 7.187 0.963 18375 11590 1 20 . 1 1 14 14 GLY N N 14 109.410 109.410 107.272 2.138 18375 11591 1 20 . 1 1 14 14 GLY C C 14 173.310 173.310 173.539 -0.229 18375 11592 1 20 . 1 1 14 14 GLY CA C 14 44.150 44.150 44.588 -0.438 18375 11593 1 20 . 1 1 14 14 GLY H H 14 4.990 4.990 6.339 -1.349 18375 11594 1 20 . 1 1 15 15 GLN N N 15 115.720 115.720 117.241 -1.521 18375 11595 1 20 . 1 1 15 15 GLN HA H 15 4.410 4.410 4.508 -0.098 18375 11596 1 20 . 1 1 15 15 GLN C C 15 176.310 176.310 177.314 -1.004 18375 11597 1 20 . 1 1 15 15 GLN CA C 15 55.570 55.570 54.571 1.000 18375 11598 1 20 . 1 1 15 15 GLN CB C 15 31.180 31.180 30.260 0.920 18375 11599 1 20 . 1 1 15 15 GLN H H 15 7.170 7.170 7.791 -0.621 18375 11600 1 20 . 1 1 16 16 CYS N N 16 118.020 118.020 117.532 0.488 18375 11601 1 20 . 1 1 16 16 CYS HA H 16 4.590 4.590 4.453 0.137 18375 11602 1 20 . 1 1 16 16 CYS C C 16 176.730 176.730 176.947 -0.217 18375 11603 1 20 . 1 1 16 16 CYS CA C 16 61.050 61.050 62.164 -1.115 18375 11604 1 20 . 1 1 16 16 CYS CB C 16 28.600 28.600 28.038 0.562 18375 11605 1 20 . 1 1 16 16 CYS H H 16 9.300 9.300 9.149 0.151 18375 11606 1 20 . 1 1 17 17 THR N N 17 113.910 113.910 114.007 -0.097 18375 11607 1 20 . 1 1 17 17 THR HA H 17 3.180 3.180 4.163 -0.983 18375 11608 1 20 . 1 1 17 17 THR C C 17 174.260 174.260 176.093 -1.833 18375 11609 1 20 . 1 1 17 17 THR CA C 17 62.800 62.800 65.547 -2.747 18375 11610 1 20 . 1 1 17 17 THR CB C 17 69.000 69.000 68.251 0.749 18375 11611 1 20 . 1 1 17 17 THR H H 17 7.300 7.300 8.329 -1.029 18375 11612 1 20 . 1 1 18 18 TRP N N 18 123.650 123.650 124.350 -0.700 18375 11613 1 20 . 1 1 18 18 TRP HA H 18 4.380 4.380 4.566 -0.186 18375 11614 1 20 . 1 1 18 18 TRP C C 18 177.910 177.910 177.699 0.211 18375 11615 1 20 . 1 1 18 18 TRP CA C 18 61.600 61.600 60.874 0.726 18375 11616 1 20 . 1 1 18 18 TRP CB C 18 31.320 31.320 29.740 1.580 18375 11617 1 20 . 1 1 18 18 TRP H H 18 6.640 6.640 7.562 -0.922 18375 11618 1 20 . 1 1 19 19 TYR N N 19 115.660 115.660 120.269 -4.609 18375 11619 1 20 . 1 1 19 19 TYR HA H 19 4.120 4.120 4.257 -0.137 18375 11620 1 20 . 1 1 19 19 TYR C C 19 177.170 177.170 177.616 -0.446 18375 11621 1 20 . 1 1 19 19 TYR CA C 19 61.370 61.370 61.865 -0.495 18375 11622 1 20 . 1 1 19 19 TYR CB C 19 42.110 42.110 38.518 3.592 18375 11623 1 20 . 1 1 19 19 TYR H H 19 7.680 7.680 9.005 -1.325 18375 11624 1 20 . 1 1 20 20 VAL N N 20 116.740 116.740 119.479 -2.739 18375 11625 1 20 . 1 1 20 20 VAL HA H 20 3.030 3.030 3.436 -0.406 18375 11626 1 20 . 1 1 20 20 VAL C C 20 176.410 176.410 177.931 -1.521 18375 11627 1 20 . 1 1 20 20 VAL CA C 20 68.360 68.360 67.136 1.224 18375 11628 1 20 . 1 1 20 20 VAL CB C 20 32.210 32.210 31.866 0.344 18375 11629 1 20 . 1 1 20 20 VAL H H 20 7.450 7.450 7.951 -0.501 18375 11630 1 20 . 1 1 21 21 TYR N N 21 118.550 118.550 120.852 -2.302 18375 11631 1 20 . 1 1 21 21 TYR HA H 21 3.560 3.560 4.297 -0.737 18375 11632 1 20 . 1 1 21 21 TYR C C 21 176.490 176.490 177.227 -0.737 18375 11633 1 20 . 1 1 21 21 TYR CA C 21 63.990 63.990 61.217 2.773 18375 11634 1 20 . 1 1 21 21 TYR CB C 21 38.970 38.970 38.544 0.426 18375 11635 1 20 . 1 1 21 21 TYR H H 21 8.370 8.370 8.192 0.178 18375 11636 1 20 . 1 1 22 22 ASP N N 22 115.760 115.760 119.169 -3.409 18375 11637 1 20 . 1 1 22 22 ASP HA H 22 4.260 4.260 4.092 0.168 18375 11638 1 20 . 1 1 22 22 ASP C C 22 169.690 169.690 178.869 -9.179 18375 11639 1 20 . 1 1 22 22 ASP CA C 22 58.010 58.010 56.696 1.314 18375 11640 1 20 . 1 1 22 22 ASP CB C 22 41.770 41.770 40.643 1.127 18375 11641 1 20 . 1 1 22 22 ASP H H 22 6.880 6.880 8.085 -1.205 18375 11642 1 20 . 1 1 23 23 LYS N N 23 121.790 121.790 118.590 3.200 18375 11643 1 20 . 1 1 23 23 LYS HA H 23 3.610 3.610 3.795 -0.185 18375 11644 1 20 . 1 1 23 23 LYS C C 23 178.360 178.360 178.342 0.018 18375 11645 1 20 . 1 1 23 23 LYS CA C 23 57.990 57.990 57.891 0.100 18375 11646 1 20 . 1 1 23 23 LYS CB C 23 31.350 31.350 31.553 -0.203 18375 11647 1 20 . 1 1 23 23 LYS H H 23 7.820 7.820 7.982 -0.162 18375 11648 1 20 . 1 1 24 24 VAL N N 24 108.790 108.790 110.412 -1.622 18375 11649 1 20 . 1 1 24 24 VAL HA H 24 4.390 4.390 4.128 0.262 18375 11650 1 20 . 1 1 24 24 VAL C C 24 176.840 176.840 176.291 0.549 18375 11651 1 20 . 1 1 24 24 VAL CA C 24 61.430 61.430 61.037 0.393 18375 11652 1 20 . 1 1 24 24 VAL CB C 24 31.690 31.690 30.759 0.931 18375 11653 1 20 . 1 1 24 24 VAL H H 24 7.590 7.590 7.239 0.351 18375 11654 1 20 . 1 1 25 25 GLY N N 25 110.620 110.620 109.322 1.298 18375 11655 1 20 . 1 1 25 25 GLY C C 25 175.510 175.510 175.040 0.470 18375 11656 1 20 . 1 1 25 25 GLY CA C 25 47.110 47.110 45.508 1.603 18375 11657 1 20 . 1 1 25 25 GLY H H 25 7.680 7.680 7.830 -0.150 18375 11658 1 20 . 1 1 26 26 GLY N N 26 122.410 122.410 106.855 15.555 18375 11659 1 20 . 1 1 26 26 GLY C C 26 174.470 174.470 174.372 0.098 18375 11660 1 20 . 1 1 26 26 GLY CA C 26 46.440 46.440 44.696 1.744 18375 11661 1 20 . 1 1 26 26 GLY H H 26 7.870 7.870 7.967 -0.097 18375 11662 1 20 . 1 1 27 27 GLU N N 27 116.720 116.720 118.694 -1.974 18375 11663 1 20 . 1 1 27 27 GLU HA H 27 4.150 4.150 3.960 0.190 18375 11664 1 20 . 1 1 27 27 GLU C C 27 175.810 175.810 176.135 -0.325 18375 11665 1 20 . 1 1 27 27 GLU CA C 27 58.110 58.110 58.494 -0.384 18375 11666 1 20 . 1 1 27 27 GLU CB C 27 30.500 30.500 30.189 0.312 18375 11667 1 20 . 1 1 27 27 GLU H H 27 6.650 6.650 7.629 -0.979 18375 11668 1 20 . 1 1 28 28 ILE N N 28 125.210 125.210 114.175 11.035 18375 11669 1 20 . 1 1 28 28 ILE HA H 28 4.040 4.040 4.060 -0.020 18375 11670 1 20 . 1 1 28 28 ILE CA C 28 60.160 60.160 59.666 0.494 18375 11671 1 20 . 1 1 28 28 ILE CB C 28 40.940 40.940 40.062 0.878 18375 11672 1 20 . 1 1 28 28 ILE H H 28 6.330 6.330 7.523 -1.193 18375 11673 1 20 . 1 1 29 29 GLY C C 29 174.050 174.050 174.619 -0.569 18375 11674 1 20 . 1 1 29 29 GLY CA C 29 46.190 46.190 44.648 1.542 18375 11675 1 20 . 1 1 30 30 SER N N 30 115.530 115.530 114.552 0.978 18375 11676 1 20 . 1 1 30 30 SER HA H 30 4.140 4.140 3.616 0.524 18375 11677 1 20 . 1 1 30 30 SER C C 30 174.000 174.000 174.299 -0.299 18375 11678 1 20 . 1 1 30 30 SER CA C 30 60.180 60.180 60.789 -0.609 18375 11679 1 20 . 1 1 30 30 SER CB C 30 65.150 65.150 61.274 3.876 18375 11680 1 20 . 1 1 30 30 SER H H 30 8.540 8.540 7.590 0.950 18375 11681 1 20 . 1 1 31 31 THR N N 31 124.440 124.440 113.321 11.119 18375 11682 1 20 . 1 1 31 31 THR HA H 31 4.460 4.460 4.471 -0.011 18375 11683 1 20 . 1 1 31 31 THR C C 31 175.390 175.390 174.272 1.118 18375 11684 1 20 . 1 1 31 31 THR CA C 31 61.350 61.350 61.826 -0.476 18375 11685 1 20 . 1 1 31 31 THR CB C 31 69.190 69.190 69.004 0.186 18375 11686 1 20 . 1 1 31 31 THR H H 31 7.070 7.070 7.980 -0.910 18375 11687 1 20 . 1 1 32 32 TRP N N 32 121.120 121.120 119.328 1.792 18375 11688 1 20 . 1 1 32 32 TRP HA H 32 4.470 4.470 4.587 -0.117 18375 11689 1 20 . 1 1 32 32 TRP C C 32 175.720 175.720 176.365 -0.645 18375 11690 1 20 . 1 1 32 32 TRP CA C 32 57.500 57.500 54.960 2.540 18375 11691 1 20 . 1 1 32 32 TRP CB C 32 28.670 28.670 28.060 0.610 18375 11692 1 20 . 1 1 32 32 TRP H H 32 7.750 7.750 7.131 0.619 18375 11693 1 20 . 1 1 33 33 GLY N N 33 125.330 125.330 109.673 15.657 18375 11694 1 20 . 1 1 33 33 GLY C C 33 175.520 175.520 174.041 1.479 18375 11695 1 20 . 1 1 33 33 GLY CA C 33 46.390 46.390 46.014 0.376 18375 11696 1 20 . 1 1 33 33 GLY H H 33 8.580 8.580 7.965 0.615 18375 11697 1 20 . 1 1 34 34 ASN N N 34 118.870 118.870 122.024 -3.154 18375 11698 1 20 . 1 1 34 34 ASN HA H 34 4.720 4.720 5.341 -0.621 18375 11699 1 20 . 1 1 34 34 ASN C C 34 175.710 175.710 176.703 -0.993 18375 11700 1 20 . 1 1 34 34 ASN CA C 34 54.630 54.630 52.088 2.542 18375 11701 1 20 . 1 1 34 34 ASN CB C 34 40.050 40.050 41.254 -1.204 18375 11702 1 20 . 1 1 34 34 ASN H H 34 8.780 8.780 8.460 0.320 18375 11703 1 20 . 1 1 35 35 ALA N N 35 121.960 121.960 124.209 -2.249 18375 11704 1 20 . 1 1 35 35 ALA HA H 35 2.920 2.920 3.564 -0.644 18375 11705 1 20 . 1 1 35 35 ALA C C 35 169.710 169.710 178.825 -9.115 18375 11706 1 20 . 1 1 35 35 ALA CA C 35 55.950 55.950 55.541 0.409 18375 11707 1 20 . 1 1 35 35 ALA CB C 35 20.460 20.460 18.645 1.815 18375 11708 1 20 . 1 1 35 35 ALA H H 35 8.750 8.750 8.782 -0.032 18375 11709 1 20 . 1 1 36 36 ASN N N 36 114.940 114.940 114.379 0.561 18375 11710 1 20 . 1 1 36 36 ASN HA H 36 4.170 4.170 4.593 -0.423 18375 11711 1 20 . 1 1 36 36 ASN C C 36 175.200 175.200 175.565 -0.365 18375 11712 1 20 . 1 1 36 36 ASN CA C 36 55.930 55.930 54.105 1.825 18375 11713 1 20 . 1 1 36 36 ASN CB C 36 36.690 36.690 38.230 -1.540 18375 11714 1 20 . 1 1 36 36 ASN H H 36 8.410 8.410 8.618 -0.208 18375 11715 1 20 . 1 1 37 37 ASN N N 37 120.180 120.180 117.072 3.108 18375 11716 1 20 . 1 1 37 37 ASN HA H 37 5.060 5.060 4.950 0.110 18375 11717 1 20 . 1 1 37 37 ASN C C 37 176.530 176.530 175.880 0.650 18375 11718 1 20 . 1 1 37 37 ASN CA C 37 54.250 54.250 52.637 1.613 18375 11719 1 20 . 1 1 37 37 ASN CB C 37 41.720 41.720 39.446 2.274 18375 11720 1 20 . 1 1 37 37 ASN H H 37 8.850 8.850 7.841 1.009 18375 11721 1 20 . 1 1 38 38 TRP N N 38 118.410 118.410 123.524 -5.114 18375 11722 1 20 . 1 1 38 38 TRP HA H 38 4.190 4.190 4.409 -0.219 18375 11723 1 20 . 1 1 38 38 TRP C C 38 177.390 177.390 178.396 -1.006 18375 11724 1 20 . 1 1 38 38 TRP CA C 38 63.450 63.450 62.638 0.812 18375 11725 1 20 . 1 1 38 38 TRP CB C 38 29.680 29.680 28.537 1.143 18375 11726 1 20 . 1 1 38 38 TRP H H 38 8.240 8.240 8.032 0.208 18375 11727 1 20 . 1 1 39 39 ALA N N 39 118.400 118.400 120.233 -1.833 18375 11728 1 20 . 1 1 39 39 ALA HA H 39 3.770 3.770 3.991 -0.221 18375 11729 1 20 . 1 1 39 39 ALA C C 39 178.580 178.580 179.472 -0.892 18375 11730 1 20 . 1 1 39 39 ALA CA C 39 56.760 56.760 55.614 1.147 18375 11731 1 20 . 1 1 39 39 ALA CB C 39 18.020 18.020 17.596 0.424 18375 11732 1 20 . 1 1 39 39 ALA H H 39 7.150 7.150 8.805 -1.655 18375 11733 1 20 . 1 1 40 40 ALA N N 40 121.830 121.830 120.779 1.051 18375 11734 1 20 . 1 1 40 40 ALA HA H 40 3.990 3.990 4.079 -0.089 18375 11735 1 20 . 1 1 40 40 ALA C C 40 171.320 171.320 179.315 -7.995 18375 11736 1 20 . 1 1 40 40 ALA CA C 40 55.610 55.610 54.357 1.253 18375 11737 1 20 . 1 1 40 40 ALA CB C 40 18.840 18.840 18.445 0.395 18375 11738 1 20 . 1 1 40 40 ALA H H 40 8.060 8.060 7.945 0.115 18375 11739 1 20 . 1 1 41 41 ALA N N 41 122.200 122.200 121.056 1.144 18375 11740 1 20 . 1 1 41 41 ALA HA H 41 3.630 3.630 3.947 -0.317 18375 11741 1 20 . 1 1 41 41 ALA C C 41 170.110 170.110 179.199 -9.089 18375 11742 1 20 . 1 1 41 41 ALA CA C 41 55.240 55.240 54.921 0.319 18375 11743 1 20 . 1 1 41 41 ALA CB C 41 18.020 18.020 18.611 -0.591 18375 11744 1 20 . 1 1 41 41 ALA H H 41 8.250 8.250 8.272 -0.022 18375 11745 1 20 . 1 1 42 42 ALA N N 42 119.600 119.600 121.106 -1.506 18375 11746 1 20 . 1 1 42 42 ALA HA H 42 3.270 3.270 3.294 -0.024 18375 11747 1 20 . 1 1 42 42 ALA C C 42 170.160 170.160 179.168 -9.008 18375 11748 1 20 . 1 1 42 42 ALA CA C 42 55.480 55.480 55.008 0.471 18375 11749 1 20 . 1 1 42 42 ALA CB C 42 19.890 19.890 18.295 1.595 18375 11750 1 20 . 1 1 42 42 ALA H H 42 7.710 7.710 8.797 -1.087 18375 11751 1 20 . 1 1 43 43 GLN N N 43 118.750 118.750 118.033 0.717 18375 11752 1 20 . 1 1 43 43 GLN HA H 43 4.340 4.340 3.998 0.342 18375 11753 1 20 . 1 1 43 43 GLN C C 43 170.980 170.980 179.024 -8.044 18375 11754 1 20 . 1 1 43 43 GLN CA C 43 60.200 60.200 58.194 2.006 18375 11755 1 20 . 1 1 43 43 GLN CB C 43 29.710 29.710 28.889 0.821 18375 11756 1 20 . 1 1 43 43 GLN H H 43 7.880 7.880 7.685 0.195 18375 11757 1 20 . 1 1 44 44 GLY N N 44 125.760 125.760 106.431 19.329 18375 11758 1 20 . 1 1 44 44 GLY C C 44 174.300 174.300 175.190 -0.890 18375 11759 1 20 . 1 1 44 44 GLY CA C 44 47.660 47.660 45.868 1.792 18375 11760 1 20 . 1 1 44 44 GLY H H 44 8.010 8.010 7.510 0.500 18375 11761 1 20 . 1 1 45 45 ALA N N 45 121.480 121.480 122.655 -1.175 18375 11762 1 20 . 1 1 45 45 ALA HA H 45 4.620 4.620 4.087 0.533 18375 11763 1 20 . 1 1 45 45 ALA C C 45 177.190 177.190 177.578 -0.388 18375 11764 1 20 . 1 1 45 45 ALA CA C 45 52.680 52.680 52.402 0.278 18375 11765 1 20 . 1 1 45 45 ALA CB C 45 20.560 20.560 19.128 1.432 18375 11766 1 20 . 1 1 45 45 ALA H H 45 7.540 7.540 7.809 -0.269 18375 11767 1 20 . 1 1 46 46 GLY N N 46 123.690 123.690 104.862 18.828 18375 11768 1 20 . 1 1 46 46 GLY C C 46 174.980 174.980 174.138 0.842 18375 11769 1 20 . 1 1 46 46 GLY CA C 46 46.540 46.540 44.519 2.021 18375 11770 1 20 . 1 1 46 46 GLY H H 46 7.680 7.680 7.425 0.255 18375 11771 1 20 . 1 1 47 47 PHE N N 47 119.960 119.960 119.585 0.375 18375 11772 1 20 . 1 1 47 47 PHE HA H 47 4.620 4.620 4.808 -0.188 18375 11773 1 20 . 1 1 47 47 PHE C C 47 176.120 176.120 175.937 0.183 18375 11774 1 20 . 1 1 47 47 PHE CA C 47 59.000 59.000 54.484 4.516 18375 11775 1 20 . 1 1 47 47 PHE CB C 47 40.350 40.350 39.305 1.045 18375 11776 1 20 . 1 1 47 47 PHE H H 47 8.280 8.280 8.104 0.176 18375 11777 1 20 . 1 1 48 48 THR N N 48 120.680 120.680 119.983 0.697 18375 11778 1 20 . 1 1 48 48 THR HA H 48 4.190 4.190 4.259 -0.069 18375 11779 1 20 . 1 1 48 48 THR C C 48 173.000 173.000 173.447 -0.447 18375 11780 1 20 . 1 1 48 48 THR CA C 48 65.150 65.150 62.387 2.763 18375 11781 1 20 . 1 1 48 48 THR CB C 48 70.530 70.530 68.132 2.398 18375 11782 1 20 . 1 1 48 48 THR H H 48 9.260 9.260 8.586 0.674 18375 11783 1 20 . 1 1 49 49 VAL N N 49 111.320 111.320 128.716 -17.396 18375 11784 1 20 . 1 1 49 49 VAL HA H 49 5.380 5.380 4.164 1.216 18375 11785 1 20 . 1 1 49 49 VAL C C 49 175.570 175.570 175.631 -0.061 18375 11786 1 20 . 1 1 49 49 VAL CA C 49 61.510 61.510 61.969 -0.460 18375 11787 1 20 . 1 1 49 49 VAL CB C 49 34.960 34.960 31.748 3.212 18375 11788 1 20 . 1 1 49 49 VAL H H 49 8.560 8.560 8.550 0.010 18375 11789 1 20 . 1 1 50 50 ASN N N 50 125.000 125.000 126.472 -1.472 18375 11790 1 20 . 1 1 50 50 ASN HA H 50 4.800 4.800 5.128 -0.328 18375 11791 1 20 . 1 1 50 50 ASN C C 50 174.270 174.270 173.728 0.542 18375 11792 1 20 . 1 1 50 50 ASN CA C 50 53.430 53.430 51.590 1.839 18375 11793 1 20 . 1 1 50 50 ASN CB C 50 39.100 39.100 41.058 -1.958 18375 11794 1 20 . 1 1 50 50 ASN H H 50 9.010 9.010 8.850 0.160 18375 11795 1 20 . 1 1 51 51 HIS N N 51 114.650 114.650 113.413 1.237 18375 11796 1 20 . 1 1 51 51 HIS HA H 51 5.760 5.760 5.170 0.590 18375 11797 1 20 . 1 1 51 51 HIS C C 51 174.060 174.060 173.250 0.810 18375 11798 1 20 . 1 1 51 51 HIS CA C 51 56.360 56.360 56.195 0.165 18375 11799 1 20 . 1 1 51 51 HIS CB C 51 29.980 29.980 29.788 0.192 18375 11800 1 20 . 1 1 51 51 HIS H H 51 8.550 8.550 8.862 -0.312 18375 11801 1 20 . 1 1 52 52 THR N N 52 119.910 119.910 117.725 2.185 18375 11802 1 20 . 1 1 52 52 THR HA H 52 4.600 4.600 4.606 -0.006 18375 11803 1 20 . 1 1 52 52 THR CA C 52 60.140 60.140 59.600 0.540 18375 11804 1 20 . 1 1 52 52 THR CB C 52 71.890 71.890 70.233 1.657 18375 11805 1 20 . 1 1 52 52 THR H H 52 8.500 8.500 8.602 -0.102 18375 11806 1 20 . 1 1 53 53 PRO HA H 53 2.920 2.920 4.029 -1.109 18375 11807 1 20 . 1 1 53 53 PRO C C 53 175.410 175.410 175.527 -0.117 18375 11808 1 20 . 1 1 53 53 PRO CA C 53 62.460 62.460 62.990 -0.530 18375 11809 1 20 . 1 1 53 53 PRO CB C 53 33.410 33.410 32.622 0.788 18375 11810 1 20 . 1 1 54 54 SER N N 54 108.990 108.990 114.662 -5.672 18375 11811 1 20 . 1 1 54 54 SER HA H 54 4.300 4.300 4.395 -0.095 18375 11812 1 20 . 1 1 54 54 SER C C 54 172.380 172.380 172.506 -0.126 18375 11813 1 20 . 1 1 54 54 SER CA C 54 58.270 58.270 57.115 1.155 18375 11814 1 20 . 1 1 54 54 SER CB C 54 66.620 66.620 64.429 2.191 18375 11815 1 20 . 1 1 54 54 SER H H 54 6.000 6.000 7.723 -1.723 18375 11816 1 20 . 1 1 55 55 LYS N N 55 124.470 124.470 121.684 2.786 18375 11817 1 20 . 1 1 55 55 LYS HA H 55 3.500 3.500 3.862 -0.362 18375 11818 1 20 . 1 1 55 55 LYS C C 55 177.150 177.150 177.391 -0.241 18375 11819 1 20 . 1 1 55 55 LYS CA C 55 59.850 59.850 58.101 1.749 18375 11820 1 20 . 1 1 55 55 LYS CB C 55 33.010 33.010 31.974 1.036 18375 11821 1 20 . 1 1 55 55 LYS H H 55 8.860 8.860 8.401 0.459 18375 11822 1 20 . 1 1 56 56 GLY N N 56 116.710 116.710 114.214 2.496 18375 11823 1 20 . 1 1 56 56 GLY C C 56 173.430 173.430 173.241 0.189 18375 11824 1 20 . 1 1 56 56 GLY CA C 56 45.600 45.600 45.064 0.536 18375 11825 1 20 . 1 1 56 56 GLY H H 56 8.950 8.950 8.619 0.331 18375 11826 1 20 . 1 1 57 57 ALA N N 57 118.940 118.940 120.980 -2.040 18375 11827 1 20 . 1 1 57 57 ALA HA H 57 4.630 4.630 4.999 -0.369 18375 11828 1 20 . 1 1 57 57 ALA C C 57 174.570 174.570 175.487 -0.917 18375 11829 1 20 . 1 1 57 57 ALA CA C 57 51.840 51.840 50.537 1.303 18375 11830 1 20 . 1 1 57 57 ALA CB C 57 20.960 20.960 21.323 -0.363 18375 11831 1 20 . 1 1 57 57 ALA H H 57 7.420 7.420 7.775 -0.355 18375 11832 1 20 . 1 1 58 58 ILE N N 58 117.340 117.340 114.754 2.586 18375 11833 1 20 . 1 1 58 58 ILE HA H 58 4.720 4.720 4.988 -0.268 18375 11834 1 20 . 1 1 58 58 ILE C C 58 176.920 176.920 174.562 2.358 18375 11835 1 20 . 1 1 58 58 ILE CA C 58 60.910 60.910 59.480 1.430 18375 11836 1 20 . 1 1 58 58 ILE CB C 58 41.820 41.820 41.508 0.312 18375 11837 1 20 . 1 1 58 58 ILE H H 58 8.350 8.350 8.368 -0.018 18375 11838 1 20 . 1 1 59 59 LEU N N 59 112.330 112.330 119.248 -6.918 18375 11839 1 20 . 1 1 59 59 LEU HA H 59 4.220 4.220 4.752 -0.532 18375 11840 1 20 . 1 1 59 59 LEU C C 59 174.530 174.530 174.425 0.105 18375 11841 1 20 . 1 1 59 59 LEU CA C 59 56.430 56.430 53.426 3.004 18375 11842 1 20 . 1 1 59 59 LEU CB C 59 44.160 44.160 45.762 -1.602 18375 11843 1 20 . 1 1 59 59 LEU H H 59 8.430 8.430 7.793 0.637 18375 11844 1 20 . 1 1 60 60 GLN N N 60 111.170 111.170 121.617 -10.447 18375 11845 1 20 . 1 1 60 60 GLN HA H 60 4.970 4.970 5.006 -0.036 18375 11846 1 20 . 1 1 60 60 GLN C C 60 172.980 172.980 173.649 -0.669 18375 11847 1 20 . 1 1 60 60 GLN CA C 60 56.720 56.720 55.063 1.657 18375 11848 1 20 . 1 1 60 60 GLN CB C 60 30.950 30.950 31.496 -0.546 18375 11849 1 20 . 1 1 60 60 GLN H H 60 9.490 9.490 8.319 1.171 18375 11850 1 20 . 1 1 61 61 SER N N 61 118.550 118.550 117.279 1.271 18375 11851 1 20 . 1 1 61 61 SER HA H 61 4.940 4.940 5.004 -0.064 18375 11852 1 20 . 1 1 61 61 SER C C 61 174.370 174.370 173.217 1.153 18375 11853 1 20 . 1 1 61 61 SER CA C 61 56.570 56.570 56.783 -0.213 18375 11854 1 20 . 1 1 61 61 SER CB C 61 67.130 67.130 65.475 1.655 18375 11855 1 20 . 1 1 61 61 SER H H 61 8.800 8.800 8.892 -0.092 18375 11856 1 20 . 1 1 62 62 SER N N 62 120.910 120.910 119.187 1.723 18375 11857 1 20 . 1 1 62 62 SER HA H 62 4.540 4.540 4.819 -0.279 18375 11858 1 20 . 1 1 62 62 SER C C 62 173.560 173.560 174.151 -0.591 18375 11859 1 20 . 1 1 62 62 SER CA C 62 59.270 59.270 57.660 1.610 18375 11860 1 20 . 1 1 62 62 SER CB C 62 64.390 64.390 63.218 1.172 18375 11861 1 20 . 1 1 62 62 SER H H 62 8.900 8.900 8.883 0.017 18375 11862 1 20 . 1 1 63 63 GLU N N 63 121.810 121.810 120.868 0.942 18375 11863 1 20 . 1 1 63 63 GLU HA H 63 4.220 4.220 4.507 -0.287 18375 11864 1 20 . 1 1 63 63 GLU C C 63 176.030 176.030 176.519 -0.489 18375 11865 1 20 . 1 1 63 63 GLU CA C 63 57.840 57.840 55.914 1.926 18375 11866 1 20 . 1 1 63 63 GLU CB C 63 32.170 32.170 29.434 2.736 18375 11867 1 20 . 1 1 63 63 GLU H H 63 8.040 8.040 7.798 0.242 18375 11868 1 20 . 1 1 64 64 GLY N N 64 125.900 125.900 107.569 18.331 18375 11869 1 20 . 1 1 64 64 GLY CA C 64 45.490 45.490 43.997 1.493 18375 11870 1 20 . 1 1 64 64 GLY H H 64 8.200 8.200 7.471 0.729 18375 11871 1 20 . 1 1 65 65 PRO HA H 65 4.040 4.040 4.267 -0.227 18375 11872 1 20 . 1 1 65 65 PRO C C 65 177.870 177.870 176.917 0.953 18375 11873 1 20 . 1 1 65 65 PRO CA C 65 65.610 65.610 64.141 1.469 18375 11874 1 20 . 1 1 65 65 PRO CB C 65 32.160 32.160 31.853 0.307 18375 11875 1 20 . 1 1 66 66 PHE N N 66 112.970 112.970 116.075 -3.105 18375 11876 1 20 . 1 1 66 66 PHE HA H 66 4.920 4.920 4.612 0.308 18375 11877 1 20 . 1 1 66 66 PHE C C 66 176.190 176.190 175.835 0.355 18375 11878 1 20 . 1 1 66 66 PHE CA C 66 57.420 57.420 58.069 -0.650 18375 11879 1 20 . 1 1 66 66 PHE CB C 66 42.360 42.360 39.658 2.702 18375 11880 1 20 . 1 1 66 66 PHE H H 66 8.490 8.490 7.913 0.577 18375 11881 1 20 . 1 1 67 67 GLY N N 67 124.370 124.370 106.121 18.249 18375 11882 1 20 . 1 1 67 67 GLY C C 67 172.480 172.480 173.317 -0.837 18375 11883 1 20 . 1 1 67 67 GLY CA C 67 46.860 46.860 44.625 2.235 18375 11884 1 20 . 1 1 67 67 GLY H H 67 6.940 6.940 7.499 -0.559 18375 11885 1 20 . 1 1 68 68 HIS N N 68 117.820 117.820 120.137 -2.317 18375 11886 1 20 . 1 1 68 68 HIS HA H 68 5.020 5.020 5.140 -0.120 18375 11887 1 20 . 1 1 68 68 HIS C C 68 173.790 173.790 173.549 0.241 18375 11888 1 20 . 1 1 68 68 HIS CA C 68 58.230 58.230 54.472 3.758 18375 11889 1 20 . 1 1 68 68 HIS CB C 68 36.120 36.120 31.247 4.873 18375 11890 1 20 . 1 1 68 68 HIS H H 68 8.590 8.590 8.696 -0.106 18375 11891 1 20 . 1 1 69 69 VAL N N 69 116.830 116.830 122.405 -5.575 18375 11892 1 20 . 1 1 69 69 VAL HA H 69 5.320 5.320 4.467 0.853 18375 11893 1 20 . 1 1 69 69 VAL C C 69 173.060 173.060 173.389 -0.329 18375 11894 1 20 . 1 1 69 69 VAL CA C 69 58.940 58.940 59.245 -0.305 18375 11895 1 20 . 1 1 69 69 VAL CB C 69 37.700 37.700 33.528 4.173 18375 11896 1 20 . 1 1 69 69 VAL H H 69 6.040 6.040 7.953 -1.913 18375 11897 1 20 . 1 1 70 70 ALA N N 70 120.820 120.820 127.896 -7.076 18375 11898 1 20 . 1 1 70 70 ALA HA H 70 4.510 4.510 4.480 0.030 18375 11899 1 20 . 1 1 70 70 ALA C C 70 173.870 173.870 175.394 -1.524 18375 11900 1 20 . 1 1 70 70 ALA CA C 70 51.560 51.560 50.604 0.956 18375 11901 1 20 . 1 1 70 70 ALA CB C 70 26.390 26.390 21.771 4.619 18375 11902 1 20 . 1 1 70 70 ALA H H 70 8.890 8.890 7.514 1.376 18375 11903 1 20 . 1 1 71 71 TYR N N 71 121.640 121.640 125.062 -3.422 18375 11904 1 20 . 1 1 71 71 TYR HA H 71 4.890 4.890 4.435 0.455 18375 11905 1 20 . 1 1 71 71 TYR C C 71 174.620 174.620 174.079 0.541 18375 11906 1 20 . 1 1 71 71 TYR CA C 71 58.140 58.140 58.096 0.044 18375 11907 1 20 . 1 1 71 71 TYR CB C 71 42.850 42.850 39.924 2.926 18375 11908 1 20 . 1 1 71 71 TYR H H 71 9.310 9.310 8.367 0.943 18375 11909 1 20 . 1 1 72 72 VAL N N 72 126.010 126.010 126.611 -0.601 18375 11910 1 20 . 1 1 72 72 VAL HA H 72 3.880 3.880 3.832 0.048 18375 11911 1 20 . 1 1 72 72 VAL C C 72 174.250 174.250 175.248 -0.998 18375 11912 1 20 . 1 1 72 72 VAL CA C 72 64.970 64.970 62.201 2.769 18375 11913 1 20 . 1 1 72 72 VAL CB C 72 31.470 31.470 31.309 0.161 18375 11914 1 20 . 1 1 72 72 VAL H H 72 8.230 8.230 8.564 -0.334 18375 11915 1 20 . 1 1 73 73 GLU N N 73 112.690 112.690 127.292 -14.602 18375 11916 1 20 . 1 1 73 73 GLU HA H 73 4.250 4.250 4.254 -0.004 18375 11917 1 20 . 1 1 73 73 GLU C C 73 178.020 178.020 175.692 2.328 18375 11918 1 20 . 1 1 73 73 GLU CA C 73 58.400 58.400 56.981 1.419 18375 11919 1 20 . 1 1 73 73 GLU CB C 73 31.050 31.050 31.584 -0.534 18375 11920 1 20 . 1 1 73 73 GLU H H 73 8.820 8.820 8.569 0.251 18375 11921 1 20 . 1 1 74 74 SER N N 74 125.880 125.880 110.035 15.845 18375 11922 1 20 . 1 1 74 74 SER HA H 74 4.330 4.330 4.605 -0.275 18375 11923 1 20 . 1 1 74 74 SER C C 74 172.030 172.030 172.058 -0.028 18375 11924 1 20 . 1 1 74 74 SER CA C 74 59.220 59.220 57.924 1.296 18375 11925 1 20 . 1 1 74 74 SER CB C 74 65.620 65.620 64.986 0.635 18375 11926 1 20 . 1 1 74 74 SER H H 74 7.900 7.900 7.508 0.392 18375 11927 1 20 . 1 1 75 75 VAL N N 75 122.760 122.760 121.438 1.322 18375 11928 1 20 . 1 1 75 75 VAL HA H 75 4.320 4.320 4.128 0.192 18375 11929 1 20 . 1 1 75 75 VAL C C 75 176.270 176.270 174.799 1.471 18375 11930 1 20 . 1 1 75 75 VAL CA C 75 63.380 63.380 60.398 2.982 18375 11931 1 20 . 1 1 75 75 VAL CB C 75 32.750 32.750 33.843 -1.093 18375 11932 1 20 . 1 1 75 75 VAL H H 75 8.400 8.400 8.411 -0.011 18375 11933 1 20 . 1 1 76 76 ASN N N 76 125.270 125.270 125.354 -0.084 18375 11934 1 20 . 1 1 76 76 ASN HA H 76 4.790 4.790 4.957 -0.167 18375 11935 1 20 . 1 1 76 76 ASN CA C 76 54.260 54.260 52.651 1.609 18375 11936 1 20 . 1 1 76 76 ASN CB C 76 39.960 39.960 39.185 0.775 18375 11937 1 20 . 1 1 76 76 ASN H H 76 9.080 9.080 8.958 0.122 18375 11938 1 20 . 1 1 77 77 SER HA H 77 4.130 4.130 4.312 -0.182 18375 11939 1 20 . 1 1 77 77 SER C C 77 174.410 174.410 175.398 -0.988 18375 11940 1 20 . 1 1 77 77 SER CA C 77 62.670 62.670 60.256 2.414 18375 11941 1 20 . 1 1 77 77 SER CB C 77 63.600 63.600 63.182 0.418 18375 11942 1 20 . 1 1 78 78 ASP N N 78 118.590 118.590 118.534 0.056 18375 11943 1 20 . 1 1 78 78 ASP HA H 78 4.580 4.580 4.564 0.016 18375 11944 1 20 . 1 1 78 78 ASP C C 78 176.790 176.790 176.871 -0.081 18375 11945 1 20 . 1 1 78 78 ASP CA C 78 53.960 53.960 54.417 -0.457 18375 11946 1 20 . 1 1 78 78 ASP CB C 78 40.880 40.880 41.314 -0.434 18375 11947 1 20 . 1 1 78 78 ASP H H 78 7.980 7.980 8.333 -0.353 18375 11948 1 20 . 1 1 79 79 GLY N N 79 109.220 109.220 107.003 2.217 18375 11949 1 20 . 1 1 79 79 GLY C C 79 173.470 173.470 174.039 -0.569 18375 11950 1 20 . 1 1 79 79 GLY CA C 79 46.050 46.050 44.636 1.414 18375 11951 1 20 . 1 1 79 79 GLY H H 79 8.180 8.180 7.845 0.335 18375 11952 1 20 . 1 1 80 80 SER N N 80 114.200 114.200 117.449 -3.249 18375 11953 1 20 . 1 1 80 80 SER HA H 80 4.350 4.350 4.698 -0.348 18375 11954 1 20 . 1 1 80 80 SER C C 80 172.630 172.630 174.384 -1.754 18375 11955 1 20 . 1 1 80 80 SER CA C 80 59.580 59.580 58.773 0.807 18375 11956 1 20 . 1 1 80 80 SER CB C 80 65.710 65.710 64.986 0.724 18375 11957 1 20 . 1 1 80 80 SER H H 80 7.930 7.930 7.799 0.131 18375 11958 1 20 . 1 1 81 81 VAL N N 81 118.060 118.060 114.869 3.191 18375 11959 1 20 . 1 1 81 81 VAL HA H 81 4.690 4.690 4.586 0.104 18375 11960 1 20 . 1 1 81 81 VAL C C 81 175.220 175.220 175.316 -0.096 18375 11961 1 20 . 1 1 81 81 VAL CA C 81 61.980 61.980 59.984 1.996 18375 11962 1 20 . 1 1 81 81 VAL CB C 81 36.810 36.810 34.334 2.476 18375 11963 1 20 . 1 1 81 81 VAL H H 81 8.820 8.820 8.907 -0.087 18375 11964 1 20 . 1 1 82 82 THR N N 82 125.170 125.170 122.169 3.001 18375 11965 1 20 . 1 1 82 82 THR HA H 82 5.190 5.190 4.637 0.553 18375 11966 1 20 . 1 1 82 82 THR C C 82 174.150 174.150 174.202 -0.052 18375 11967 1 20 . 1 1 82 82 THR CA C 82 63.440 63.440 62.649 0.791 18375 11968 1 20 . 1 1 82 82 THR CB C 82 70.520 70.520 68.278 2.242 18375 11969 1 20 . 1 1 82 82 THR H H 82 9.020 9.020 8.604 0.416 18375 11970 1 20 . 1 1 83 83 ILE N N 83 120.970 120.970 123.745 -2.775 18375 11971 1 20 . 1 1 83 83 ILE HA H 83 5.640 5.640 5.064 0.576 18375 11972 1 20 . 1 1 83 83 ILE C C 83 175.030 175.030 174.334 0.696 18375 11973 1 20 . 1 1 83 83 ILE CA C 83 59.440 59.440 58.887 0.553 18375 11974 1 20 . 1 1 83 83 ILE CB C 83 42.170 42.170 40.774 1.396 18375 11975 1 20 . 1 1 83 83 ILE H H 83 9.280 9.280 8.115 1.165 18375 11976 1 20 . 1 1 84 84 SER N N 84 115.430 115.430 115.915 -0.485 18375 11977 1 20 . 1 1 84 84 SER HA H 84 5.590 5.590 5.354 0.236 18375 11978 1 20 . 1 1 84 84 SER C C 84 173.130 173.130 173.789 -0.659 18375 11979 1 20 . 1 1 84 84 SER CA C 84 58.050 58.050 57.034 1.016 18375 11980 1 20 . 1 1 84 84 SER CB C 84 67.140 67.140 66.525 0.615 18375 11981 1 20 . 1 1 84 84 SER H H 84 9.600 9.600 9.063 0.537 18375 11982 1 20 . 1 1 85 85 GLU N N 85 117.660 117.660 120.821 -3.161 18375 11983 1 20 . 1 1 85 85 GLU HA H 85 5.180 5.180 5.070 0.110 18375 11984 1 20 . 1 1 85 85 GLU C C 85 171.780 171.780 173.851 -2.071 18375 11985 1 20 . 1 1 85 85 GLU CA C 85 54.880 54.880 54.962 -0.082 18375 11986 1 20 . 1 1 85 85 GLU CB C 85 33.540 33.540 33.319 0.221 18375 11987 1 20 . 1 1 85 85 GLU H H 85 8.800 8.800 8.338 0.462 18375 11988 1 20 . 1 1 86 86 MET N N 86 118.950 118.950 119.453 -0.503 18375 11989 1 20 . 1 1 86 86 MET HA H 86 5.250 5.250 4.913 0.337 18375 11990 1 20 . 1 1 86 86 MET C C 86 175.010 175.010 175.617 -0.607 18375 11991 1 20 . 1 1 86 86 MET CA C 86 53.880 53.880 55.295 -1.415 18375 11992 1 20 . 1 1 86 86 MET CB C 86 38.240 38.240 35.822 2.418 18375 11993 1 20 . 1 1 86 86 MET H H 86 8.490 8.490 8.498 -0.008 18375 11994 1 20 . 1 1 87 87 ASN N N 87 116.670 116.670 125.155 -8.485 18375 11995 1 20 . 1 1 87 87 ASN HA H 87 4.190 4.190 4.441 -0.251 18375 11996 1 20 . 1 1 87 87 ASN C C 87 174.810 174.810 175.720 -0.910 18375 11997 1 20 . 1 1 87 87 ASN CA C 87 54.520 54.520 56.623 -2.103 18375 11998 1 20 . 1 1 87 87 ASN CB C 87 39.330 39.330 37.597 1.733 18375 11999 1 20 . 1 1 87 87 ASN H H 87 8.250 8.250 9.044 -0.794 18375 12000 1 20 . 1 1 88 88 TYR N N 88 119.600 119.600 117.093 2.507 18375 12001 1 20 . 1 1 88 88 TYR HA H 88 4.290 4.290 4.004 0.286 18375 12002 1 20 . 1 1 88 88 TYR C C 88 175.620 175.620 174.401 1.219 18375 12003 1 20 . 1 1 88 88 TYR CA C 88 60.720 60.720 61.422 -0.702 18375 12004 1 20 . 1 1 88 88 TYR CB C 88 41.430 41.430 37.401 4.029 18375 12005 1 20 . 1 1 88 88 TYR H H 88 8.940 8.940 8.694 0.246 18375 12006 1 20 . 1 1 89 89 SER N N 89 113.120 113.120 113.370 -0.250 18375 12007 1 20 . 1 1 89 89 SER HA H 89 4.320 4.320 4.334 -0.014 18375 12008 1 20 . 1 1 89 89 SER C C 89 174.860 174.860 173.662 1.198 18375 12009 1 20 . 1 1 89 89 SER CA C 89 58.690 58.690 57.954 0.736 18375 12010 1 20 . 1 1 89 89 SER CB C 89 65.140 65.140 64.073 1.067 18375 12011 1 20 . 1 1 89 89 SER H H 89 8.060 8.060 8.011 0.049 18375 12012 1 20 . 1 1 90 90 GLY N N 90 110.450 110.450 110.341 0.109 18375 12013 1 20 . 1 1 90 90 GLY C C 90 174.680 174.680 173.941 0.739 18375 12014 1 20 . 1 1 90 90 GLY CA C 90 45.950 45.950 45.279 0.671 18375 12015 1 20 . 1 1 90 90 GLY H H 90 8.180 8.180 8.026 0.154 18375 12016 1 20 . 1 1 91 91 GLY N N 91 108.710 108.710 111.083 -2.373 18375 12017 1 20 . 1 1 91 91 GLY CA C 91 45.880 45.880 43.114 2.767 18375 12018 1 20 . 1 1 91 91 GLY H H 91 8.330 8.330 8.374 -0.044 18375 12019 1 20 . 1 1 92 92 PRO HA H 92 4.040 4.040 4.524 -0.484 18375 12020 1 20 . 1 1 92 92 PRO C C 92 177.930 177.930 176.522 1.408 18375 12021 1 20 . 1 1 92 92 PRO CA C 92 64.710 64.710 63.184 1.526 18375 12022 1 20 . 1 1 92 92 PRO CB C 92 32.690 32.690 31.852 0.838 18375 12023 1 20 . 1 1 93 93 PHE N N 93 113.220 113.220 118.764 -5.544 18375 12024 1 20 . 1 1 93 93 PHE HA H 93 4.480 4.480 4.038 0.442 18375 12025 1 20 . 1 1 93 93 PHE C C 93 174.490 174.490 175.628 -1.138 18375 12026 1 20 . 1 1 93 93 PHE CA C 93 62.890 62.890 59.266 3.624 18375 12027 1 20 . 1 1 93 93 PHE CB C 93 37.410 37.410 36.384 1.026 18375 12028 1 20 . 1 1 93 93 PHE H H 93 8.350 8.350 8.089 0.261 18375 12029 1 20 . 1 1 94 94 SER N N 94 115.680 115.680 118.206 -2.526 18375 12030 1 20 . 1 1 94 94 SER HA H 94 4.620 4.620 4.422 0.198 18375 12031 1 20 . 1 1 94 94 SER C C 94 174.290 174.290 174.508 -0.218 18375 12032 1 20 . 1 1 94 94 SER CA C 94 59.150 59.150 58.856 0.294 18375 12033 1 20 . 1 1 94 94 SER CB C 94 64.690 64.690 63.201 1.489 18375 12034 1 20 . 1 1 94 94 SER H H 94 7.980 7.980 7.833 0.147 18375 12035 1 20 . 1 1 95 95 VAL N N 95 112.520 112.520 128.553 -16.033 18375 12036 1 20 . 1 1 95 95 VAL HA H 95 4.830 4.830 4.005 0.825 18375 12037 1 20 . 1 1 95 95 VAL C C 95 175.770 175.770 175.766 0.004 18375 12038 1 20 . 1 1 95 95 VAL CA C 95 62.520 62.520 62.269 0.251 18375 12039 1 20 . 1 1 95 95 VAL CB C 95 34.010 34.010 29.894 4.116 18375 12040 1 20 . 1 1 95 95 VAL H H 95 8.840 8.840 7.896 0.944 18375 12041 1 20 . 1 1 96 96 SER N N 96 122.260 122.260 122.147 0.113 18375 12042 1 20 . 1 1 96 96 SER HA H 96 4.810 4.810 4.412 0.398 18375 12043 1 20 . 1 1 96 96 SER C C 96 172.250 172.250 173.903 -1.653 18375 12044 1 20 . 1 1 96 96 SER CA C 96 58.080 58.080 57.946 0.134 18375 12045 1 20 . 1 1 96 96 SER CB C 96 66.590 66.590 63.427 3.163 18375 12046 1 20 . 1 1 96 96 SER H H 96 9.190 9.190 7.872 1.318 18375 12047 1 20 . 1 1 97 97 SER N N 97 112.810 112.810 124.279 -11.469 18375 12048 1 20 . 1 1 97 97 SER HA H 97 5.620 5.620 4.884 0.736 18375 12049 1 20 . 1 1 97 97 SER C C 97 174.130 174.130 174.352 -0.222 18375 12050 1 20 . 1 1 97 97 SER CA C 97 57.260 57.260 57.975 -0.715 18375 12051 1 20 . 1 1 97 97 SER CB C 97 66.740 66.740 63.996 2.744 18375 12052 1 20 . 1 1 97 97 SER H H 97 8.290 8.290 8.419 -0.129 18375 12053 1 20 . 1 1 98 98 ARG N N 98 122.640 122.640 127.442 -4.802 18375 12054 1 20 . 1 1 98 98 ARG HA H 98 4.650 4.650 4.689 -0.039 18375 12055 1 20 . 1 1 98 98 ARG C C 98 174.030 174.030 174.877 -0.847 18375 12056 1 20 . 1 1 98 98 ARG CA C 98 56.640 56.640 55.011 1.629 18375 12057 1 20 . 1 1 98 98 ARG CB C 98 36.240 36.240 34.238 2.002 18375 12058 1 20 . 1 1 98 98 ARG H H 98 8.380 8.380 7.920 0.460 18375 12059 1 20 . 1 1 99 99 THR N N 99 118.220 118.220 117.702 0.518 18375 12060 1 20 . 1 1 99 99 THR HA H 99 5.280 5.280 4.988 0.292 18375 12061 1 20 . 1 1 99 99 THR C C 99 173.930 173.930 174.042 -0.112 18375 12062 1 20 . 1 1 99 99 THR CA C 99 62.820 62.820 61.815 1.005 18375 12063 1 20 . 1 1 99 99 THR CB C 99 71.360 71.360 69.754 1.606 18375 12064 1 20 . 1 1 99 99 THR H H 99 8.650 8.650 8.420 0.230 18375 12065 1 20 . 1 1 100 100 ILE N N 100 112.130 112.130 129.811 -17.681 18375 12066 1 20 . 1 1 100 100 ILE HA H 100 4.290 4.290 4.342 -0.052 18375 12067 1 20 . 1 1 100 100 ILE C C 100 175.190 175.190 175.399 -0.209 18375 12068 1 20 . 1 1 100 100 ILE CA C 100 60.340 60.340 58.853 1.487 18375 12069 1 20 . 1 1 100 100 ILE CB C 100 40.390 40.390 36.795 3.595 18375 12070 1 20 . 1 1 100 100 ILE H H 100 9.560 9.560 8.960 0.600 18375 12071 1 20 . 1 1 101 101 SER N N 101 121.940 121.940 123.407 -1.467 18375 12072 1 20 . 1 1 101 101 SER HA H 101 4.120 4.120 4.407 -0.287 18375 12073 1 20 . 1 1 101 101 SER C C 101 174.230 174.230 175.695 -1.465 18375 12074 1 20 . 1 1 101 101 SER CA C 101 59.450 59.450 57.834 1.616 18375 12075 1 20 . 1 1 101 101 SER CB C 101 65.410 65.410 64.634 0.776 18375 12076 1 20 . 1 1 101 101 SER H H 101 8.860 8.860 8.255 0.605 18375 12077 1 20 . 1 1 102 102 ALA N N 102 123.870 123.870 130.464 -6.594 18375 12078 1 20 . 1 1 102 102 ALA HA H 102 3.910 3.910 4.000 -0.090 18375 12079 1 20 . 1 1 102 102 ALA C C 102 170.440 170.440 179.223 -8.783 18375 12080 1 20 . 1 1 102 102 ALA CA C 102 56.360 56.360 55.235 1.125 18375 12081 1 20 . 1 1 102 102 ALA CB C 102 19.430 19.430 18.556 0.874 18375 12082 1 20 . 1 1 102 102 ALA H H 102 8.860 8.860 9.111 -0.251 18375 12083 1 20 . 1 1 103 103 SER N N 103 109.980 109.980 114.480 -4.500 18375 12084 1 20 . 1 1 103 103 SER HA H 103 4.200 4.200 4.084 0.116 18375 12085 1 20 . 1 1 103 103 SER C C 103 176.050 176.050 176.187 -0.137 18375 12086 1 20 . 1 1 103 103 SER CA C 103 61.680 61.680 61.619 0.061 18375 12087 1 20 . 1 1 103 103 SER CB C 103 63.640 63.640 63.041 0.599 18375 12088 1 20 . 1 1 103 103 SER H H 103 8.180 8.180 7.764 0.416 18375 12089 1 20 . 1 1 104 104 GLU N N 104 121.250 121.250 119.868 1.382 18375 12090 1 20 . 1 1 104 104 GLU HA H 104 4.260 4.260 4.184 0.076 18375 12091 1 20 . 1 1 104 104 GLU C C 104 178.240 178.240 177.841 0.399 18375 12092 1 20 . 1 1 104 104 GLU CA C 104 57.960 57.960 58.037 -0.077 18375 12093 1 20 . 1 1 104 104 GLU CB C 104 32.210 32.210 29.709 2.502 18375 12094 1 20 . 1 1 104 104 GLU H H 104 7.560 7.560 7.619 -0.059 18375 12095 1 20 . 1 1 105 105 ALA N N 105 121.520 121.520 122.557 -1.037 18375 12096 1 20 . 1 1 105 105 ALA HA H 105 4.060 4.060 4.294 -0.234 18375 12097 1 20 . 1 1 105 105 ALA C C 105 170.230 170.230 179.899 -9.669 18375 12098 1 20 . 1 1 105 105 ALA CA C 105 57.080 57.080 54.914 2.166 18375 12099 1 20 . 1 1 105 105 ALA CB C 105 19.320 19.320 18.279 1.041 18375 12100 1 20 . 1 1 105 105 ALA H H 105 8.280 8.280 8.441 -0.161 18375 12101 1 20 . 1 1 106 106 GLY N N 106 121.950 121.950 104.450 17.500 18375 12102 1 20 . 1 1 106 106 GLY C C 106 174.110 174.110 175.497 -1.387 18375 12103 1 20 . 1 1 106 106 GLY CA C 106 46.780 46.780 46.208 0.572 18375 12104 1 20 . 1 1 106 106 GLY H H 106 8.360 8.360 8.195 0.165 18375 12105 1 20 . 1 1 107 107 ASN N N 107 117.130 117.130 119.903 -2.773 18375 12106 1 20 . 1 1 107 107 ASN HA H 107 4.480 4.480 4.629 -0.149 18375 12107 1 20 . 1 1 107 107 ASN C C 107 175.110 175.110 175.666 -0.556 18375 12108 1 20 . 1 1 107 107 ASN CA C 107 54.220 54.220 53.895 0.326 18375 12109 1 20 . 1 1 107 107 ASN CB C 107 38.890 38.890 39.590 -0.700 18375 12110 1 20 . 1 1 107 107 ASN H H 107 7.830 7.830 7.678 0.152 18375 12111 1 20 . 1 1 108 108 TYR N N 108 117.300 117.300 118.709 -1.409 18375 12112 1 20 . 1 1 108 108 TYR HA H 108 4.620 4.620 4.668 -0.048 18375 12113 1 20 . 1 1 108 108 TYR C C 108 174.810 174.810 175.857 -1.047 18375 12114 1 20 . 1 1 108 108 TYR CA C 108 58.700 58.700 58.790 -0.090 18375 12115 1 20 . 1 1 108 108 TYR CB C 108 41.260 41.260 38.436 2.824 18375 12116 1 20 . 1 1 108 108 TYR H H 108 7.020 7.020 7.757 -0.737 18375 12117 1 20 . 1 1 109 109 ASN N N 109 117.260 117.260 121.585 -4.325 18375 12118 1 20 . 1 1 109 109 ASN HA H 109 5.020 5.020 4.998 0.022 18375 12119 1 20 . 1 1 109 109 ASN C C 109 173.590 173.590 173.910 -0.320 18375 12120 1 20 . 1 1 109 109 ASN CA C 109 53.140 53.140 53.331 -0.191 18375 12121 1 20 . 1 1 109 109 ASN CB C 109 41.590 41.590 40.955 0.635 18375 12122 1 20 . 1 1 109 109 ASN H H 109 7.910 7.910 8.306 -0.396 18375 12123 1 20 . 1 1 110 110 TYR N N 110 117.410 117.410 119.048 -1.638 18375 12124 1 20 . 1 1 110 110 TYR HA H 110 5.300 5.300 5.118 0.182 18375 12125 1 20 . 1 1 110 110 TYR C C 110 174.450 174.450 173.475 0.975 18375 12126 1 20 . 1 1 110 110 TYR CA C 110 57.740 57.740 56.115 1.625 18375 12127 1 20 . 1 1 110 110 TYR CB C 110 41.580 41.580 41.814 -0.234 18375 12128 1 20 . 1 1 110 110 TYR H H 110 9.340 9.340 8.555 0.785 18375 12129 1 20 . 1 1 111 111 ILE N N 111 123.080 123.080 118.309 4.771 18375 12130 1 20 . 1 1 111 111 ILE HA H 111 4.360 4.360 4.903 -0.543 18375 12131 1 20 . 1 1 111 111 ILE C C 111 175.250 175.250 174.117 1.133 18375 12132 1 20 . 1 1 111 111 ILE CA C 111 61.530 61.530 59.730 1.800 18375 12133 1 20 . 1 1 111 111 ILE CB C 111 40.560 40.560 40.883 -0.323 18375 12134 1 20 . 1 1 111 111 ILE H H 111 9.320 9.320 8.521 0.799 18375 12135 1 20 . 1 1 112 112 HIS N N 112 109.020 109.020 121.427 -12.407 18375 12136 1 20 . 1 1 112 112 HIS HA H 112 4.560 4.560 5.071 -0.511 18375 12137 1 20 . 1 1 112 112 HIS C C 112 173.980 173.980 174.632 -0.652 18375 12138 1 20 . 1 1 112 112 HIS CA C 112 57.550 57.550 53.763 3.787 18375 12139 1 20 . 1 1 112 112 HIS CB C 112 31.350 31.350 32.425 -1.075 18375 12140 1 20 . 1 1 112 112 HIS H H 112 8.710 8.710 8.501 0.209 18375 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 103 6.895 0.667 6.896 18375 2 1 1 "Average Difference" HA 124 0.448 0.014 0.449 18375 3 1 1 "Average Difference" C 103 2.620 0.771 2.517 18375 4 1 1 "Average Difference" CA 110 1.526 -0.963 1.189 18375 5 1 1 "Average Difference" CB 94 1.838 -1.120 1.465 18375 6 1 1 "Average Difference" HN 103 0.648 0.025 0.651 18375 7 1 2 "Average Difference" N 103 7.136 0.704 7.136 18375 8 1 2 "Average Difference" HA 124 0.444 0.024 0.446 18375 9 1 2 "Average Difference" C 103 2.632 0.886 2.491 18375 10 1 2 "Average Difference" CA 110 1.574 -1.000 1.221 18375 11 1 2 "Average Difference" CB 94 1.988 -1.148 1.631 18375 12 1 2 "Average Difference" HN 103 0.646 0.021 0.649 18375 13 1 3 "Average Difference" N 103 6.742 0.487 6.757 18375 14 1 3 "Average Difference" HA 124 0.465 0.002 0.467 18375 15 1 3 "Average Difference" C 103 2.653 0.769 2.552 18375 16 1 3 "Average Difference" CA 110 1.549 -0.934 1.241 18375 17 1 3 "Average Difference" CB 94 1.882 -1.145 1.501 18375 18 1 3 "Average Difference" HN 103 0.735 -0.014 0.738 18375 19 1 4 "Average Difference" N 103 6.976 0.689 6.976 18375 20 1 4 "Average Difference" HA 124 0.449 -0.014 0.451 18375 21 1 4 "Average Difference" C 103 2.659 0.838 2.535 18375 22 1 4 "Average Difference" CA 110 1.583 -0.944 1.277 18375 23 1 4 "Average Difference" CB 94 1.963 -1.242 1.528 18375 24 1 4 "Average Difference" HN 103 0.653 -0.003 0.656 18375 25 1 5 "Average Difference" N 103 7.000 0.735 6.996 18375 26 1 5 "Average Difference" HA 124 0.489 0.009 0.491 18375 27 1 5 "Average Difference" C 103 2.668 0.768 2.568 18375 28 1 5 "Average Difference" CA 110 1.591 -1.067 1.185 18375 29 1 5 "Average Difference" CB 94 1.860 -1.038 1.552 18375 30 1 5 "Average Difference" HN 103 0.665 -0.009 0.668 18375 31 1 6 "Average Difference" N 103 7.024 0.510 7.040 18375 32 1 6 "Average Difference" HA 124 0.400 0.021 0.401 18375 33 1 6 "Average Difference" C 103 2.657 0.859 2.527 18375 34 1 6 "Average Difference" CA 110 1.578 -0.948 1.267 18375 35 1 6 "Average Difference" CB 94 1.826 -1.153 1.424 18375 36 1 6 "Average Difference" HN 103 0.658 0.059 0.659 18375 37 1 7 "Average Difference" N 103 7.058 0.734 7.054 18375 38 1 7 "Average Difference" HA 124 0.435 -0.025 0.436 18375 39 1 7 "Average Difference" C 103 2.646 0.816 2.529 18375 40 1 7 "Average Difference" CA 110 1.533 -0.935 1.220 18375 41 1 7 "Average Difference" CB 94 1.939 -1.192 1.537 18375 42 1 7 "Average Difference" HN 103 0.677 0.032 0.679 18375 43 1 8 "Average Difference" N 103 7.019 0.498 7.035 18375 44 1 8 "Average Difference" HA 124 0.459 -0.012 0.461 18375 45 1 8 "Average Difference" C 103 2.607 0.775 2.501 18375 46 1 8 "Average Difference" CA 110 1.515 -0.893 1.229 18375 47 1 8 "Average Difference" CB 94 2.014 -1.262 1.579 18375 48 1 8 "Average Difference" HN 103 0.664 -0.015 0.667 18375 49 1 9 "Average Difference" N 103 6.970 0.811 6.957 18375 50 1 9 "Average Difference" HA 124 0.420 0.035 0.420 18375 51 1 9 "Average Difference" C 103 2.642 0.793 2.532 18375 52 1 9 "Average Difference" CA 110 1.591 -1.003 1.241 18375 53 1 9 "Average Difference" CB 94 1.994 -1.192 1.607 18375 54 1 9 "Average Difference" HN 103 0.614 0.025 0.616 18375 55 1 10 "Average Difference" N 103 6.938 0.755 6.930 18375 56 1 10 "Average Difference" HA 124 0.449 -0.010 0.451 18375 57 1 10 "Average Difference" C 103 2.698 0.777 2.597 18375 58 1 10 "Average Difference" CA 110 1.508 -0.997 1.137 18375 59 1 10 "Average Difference" CB 94 1.954 -1.203 1.549 18375 60 1 10 "Average Difference" HN 103 0.682 -0.012 0.685 18375 61 1 11 "Average Difference" N 103 6.801 0.602 6.808 18375 62 1 11 "Average Difference" HA 124 0.421 0.002 0.423 18375 63 1 11 "Average Difference" C 103 2.687 0.794 2.580 18375 64 1 11 "Average Difference" CA 110 1.569 -0.985 1.226 18375 65 1 11 "Average Difference" CB 94 2.044 -1.280 1.602 18375 66 1 11 "Average Difference" HN 103 0.669 0.025 0.672 18375 67 1 12 "Average Difference" N 103 7.046 0.429 7.067 18375 68 1 12 "Average Difference" HA 124 0.435 0.010 0.437 18375 69 1 12 "Average Difference" C 103 2.633 0.706 2.548 18375 70 1 12 "Average Difference" CA 110 1.615 -1.004 1.271 18375 71 1 12 "Average Difference" CB 94 1.954 -1.244 1.515 18375 72 1 12 "Average Difference" HN 103 0.687 -0.037 0.690 18375 73 1 13 "Average Difference" N 103 7.245 0.871 7.227 18375 74 1 13 "Average Difference" HA 124 0.453 -0.010 0.455 18375 75 1 13 "Average Difference" C 103 2.689 0.763 2.591 18375 76 1 13 "Average Difference" CA 110 1.541 -0.944 1.223 18375 77 1 13 "Average Difference" CB 94 2.008 -1.220 1.603 18375 78 1 13 "Average Difference" HN 103 0.682 0.033 0.684 18375 79 1 14 "Average Difference" N 103 6.951 0.497 6.967 18375 80 1 14 "Average Difference" HA 124 0.450 -0.016 0.451 18375 81 1 14 "Average Difference" C 103 2.668 0.846 2.542 18375 82 1 14 "Average Difference" CA 110 1.568 -0.863 1.315 18375 83 1 14 "Average Difference" CB 94 1.925 -1.221 1.497 18375 84 1 14 "Average Difference" HN 103 0.671 -0.014 0.674 18375 85 1 15 "Average Difference" N 103 6.991 0.737 6.986 18375 86 1 15 "Average Difference" HA 124 0.440 0.007 0.442 18375 87 1 15 "Average Difference" C 103 2.616 0.837 2.490 18375 88 1 15 "Average Difference" CA 110 1.579 -0.988 1.237 18375 89 1 15 "Average Difference" CB 94 1.998 -1.200 1.606 18375 90 1 15 "Average Difference" HN 103 0.669 0.004 0.672 18375 91 1 16 "Average Difference" N 103 7.030 0.391 7.053 18375 92 1 16 "Average Difference" HA 124 0.421 -0.050 0.420 18375 93 1 16 "Average Difference" C 103 2.657 0.814 2.542 18375 94 1 16 "Average Difference" CA 110 1.550 -0.978 1.208 18375 95 1 16 "Average Difference" CB 94 2.012 -1.242 1.592 18375 96 1 16 "Average Difference" HN 103 0.679 -0.026 0.682 18375 97 1 17 "Average Difference" N 103 7.107 0.798 7.097 18375 98 1 17 "Average Difference" HA 124 0.467 -0.010 0.469 18375 99 1 17 "Average Difference" C 103 2.692 0.915 2.544 18375 100 1 17 "Average Difference" CA 110 1.533 -0.894 1.251 18375 101 1 17 "Average Difference" CB 94 1.902 -1.211 1.474 18375 102 1 17 "Average Difference" HN 103 0.657 -0.018 0.660 18375 103 1 18 "Average Difference" N 103 7.002 0.604 7.010 18375 104 1 18 "Average Difference" HA 124 0.443 0.009 0.444 18375 105 1 18 "Average Difference" C 103 2.664 0.825 2.545 18375 106 1 18 "Average Difference" CA 110 1.498 -0.851 1.239 18375 107 1 18 "Average Difference" CB 94 1.870 -1.065 1.545 18375 108 1 18 "Average Difference" HN 103 0.681 0.037 0.684 18375 109 1 19 "Average Difference" N 103 6.972 0.604 6.980 18375 110 1 19 "Average Difference" HA 124 0.450 0.019 0.452 18375 111 1 19 "Average Difference" C 103 2.682 0.743 2.590 18375 112 1 19 "Average Difference" CA 110 1.599 -1.034 1.226 18375 113 1 19 "Average Difference" CB 94 1.924 -1.249 1.472 18375 114 1 19 "Average Difference" HN 103 0.664 0.040 0.666 18375 115 1 20 "Average Difference" N 103 6.999 0.245 7.029 18375 116 1 20 "Average Difference" HA 124 0.430 0.014 0.431 18375 117 1 20 "Average Difference" C 103 2.624 0.822 2.504 18375 118 1 20 "Average Difference" CA 110 1.578 -0.993 1.231 18375 119 1 20 "Average Difference" CB 94 1.867 -1.147 1.480 18375 120 1 20 "Average Difference" HN 103 0.664 -0.006 0.667 18375 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 18375 _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 3 3 SER HA H 3 4.510 4.510 4.558 -0.048 18375 2 1 . 1 1 3 3 SER C C 3 174.460 174.460 174.118 0.342 18375 3 1 . 1 1 3 3 SER CA C 3 59.400 59.400 58.463 0.937 18375 4 1 . 1 1 3 3 SER CB C 3 64.820 64.820 63.261 1.559 18375 5 1 . 1 1 4 4 ILE N N 4 121.890 121.890 122.201 -0.311 18375 6 1 . 1 1 4 4 ILE HA H 4 4.210 4.210 4.292 -0.081 18375 7 1 . 1 1 4 4 ILE C C 4 176.040 176.040 175.666 0.374 18375 8 1 . 1 1 4 4 ILE CA C 4 62.180 62.180 61.249 0.931 18375 9 1 . 1 1 4 4 ILE CB C 4 39.930 39.930 38.054 1.876 18375 10 1 . 1 1 4 4 ILE H H 4 8.180 8.180 8.152 0.028 18375 11 1 . 1 1 5 5 SER N N 5 119.230 119.230 118.769 0.461 18375 12 1 . 1 1 5 5 SER C C 5 174.290 174.290 174.550 -0.260 18375 13 1 . 1 1 5 5 SER CA C 5 59.140 59.140 58.787 0.353 18375 14 1 . 1 1 5 5 SER CB C 5 64.930 64.930 63.948 0.982 18375 15 1 . 1 1 5 5 SER H H 5 8.270 8.270 8.497 -0.227 18375 16 1 . 1 1 6 6 HIS HA H 6 4.650 4.650 4.578 0.072 18375 17 1 . 1 1 6 6 HIS CA C 6 57.240 57.240 56.679 0.561 18375 18 1 . 1 1 6 6 HIS CB C 6 31.150 31.150 29.667 1.483 18375 19 1 . 1 1 7 7 SER N N 7 117.260 117.260 116.703 0.557 18375 20 1 . 1 1 7 7 SER HA H 7 4.430 4.430 4.496 -0.066 18375 21 1 . 1 1 7 7 SER C C 7 174.890 174.890 174.883 0.007 18375 22 1 . 1 1 7 7 SER CA C 7 59.750 59.750 58.420 1.330 18375 23 1 . 1 1 7 7 SER CB C 7 64.890 64.890 63.852 1.038 18375 24 1 . 1 1 7 7 SER H H 7 8.360 8.360 8.243 0.117 18375 25 1 . 1 1 8 8 GLY N N 8 110.140 110.140 110.622 -0.482 18375 26 1 . 1 1 8 8 GLY C C 8 173.340 173.340 173.386 -0.046 18375 27 1 . 1 1 8 8 GLY CA C 8 45.920 45.920 45.329 0.591 18375 28 1 . 1 1 8 8 GLY H H 8 8.500 8.500 8.503 -0.003 18375 29 1 . 1 1 9 9 ASN N N 9 118.840 118.840 118.449 0.391 18375 30 1 . 1 1 9 9 ASN HA H 9 3.430 3.430 4.960 -1.530 18375 31 1 . 1 1 9 9 ASN C C 9 175.460 175.460 175.967 -0.507 18375 32 1 . 1 1 9 9 ASN CA C 9 53.400 53.400 52.213 1.187 18375 33 1 . 1 1 9 9 ASN CB C 9 38.780 38.780 39.906 -1.126 18375 34 1 . 1 1 9 9 ASN H H 9 8.280 8.280 8.165 0.115 18375 35 1 . 1 1 10 10 LEU N N 10 125.560 125.560 121.842 3.718 18375 36 1 . 1 1 10 10 LEU HA H 10 4.250 4.250 4.300 -0.051 18375 37 1 . 1 1 10 10 LEU C C 10 177.320 177.320 176.959 0.361 18375 38 1 . 1 1 10 10 LEU CA C 10 55.080 55.080 55.430 -0.350 18375 39 1 . 1 1 10 10 LEU CB C 10 42.110 42.110 42.066 0.044 18375 40 1 . 1 1 10 10 LEU H H 10 6.850 6.850 8.407 -1.557 18375 41 1 . 1 1 11 11 TYR N N 11 120.920 120.920 118.307 2.613 18375 42 1 . 1 1 11 11 TYR HA H 11 4.350 4.350 4.493 -0.143 18375 43 1 . 1 1 11 11 TYR C C 11 174.800 174.800 176.979 -2.179 18375 44 1 . 1 1 11 11 TYR CA C 11 60.200 60.200 58.652 1.548 18375 45 1 . 1 1 11 11 TYR CB C 11 38.520 38.520 40.269 -1.749 18375 46 1 . 1 1 11 11 TYR H H 11 7.680 7.680 8.013 -0.333 18375 47 1 . 1 1 12 12 THR N N 12 118.320 118.320 115.985 2.335 18375 48 1 . 1 1 12 12 THR HA H 12 3.680 3.680 4.082 -0.402 18375 49 1 . 1 1 12 12 THR C C 12 173.180 173.180 173.214 -0.034 18375 50 1 . 1 1 12 12 THR CA C 12 65.310 65.310 64.180 1.130 18375 51 1 . 1 1 12 12 THR CB C 12 70.080 70.080 69.260 0.820 18375 52 1 . 1 1 12 12 THR H H 12 8.320 8.320 8.446 -0.126 18375 53 1 . 1 1 13 13 ALA N N 13 111.540 111.540 122.136 -10.596 18375 54 1 . 1 1 13 13 ALA HA H 13 3.690 3.690 3.052 0.638 18375 55 1 . 1 1 13 13 ALA CA C 13 53.700 53.700 51.608 2.092 18375 56 1 . 1 1 13 13 ALA H H 13 8.150 8.150 7.608 0.542 18375 57 1 . 1 1 14 14 GLY N N 14 109.410 109.410 108.009 1.401 18375 58 1 . 1 1 14 14 GLY C C 14 173.310 173.310 173.875 -0.565 18375 59 1 . 1 1 14 14 GLY CA C 14 44.150 44.150 44.615 -0.465 18375 60 1 . 1 1 14 14 GLY H H 14 4.990 4.990 6.561 -1.571 18375 61 1 . 1 1 15 15 GLN N N 15 115.720 115.720 117.973 -2.253 18375 62 1 . 1 1 15 15 GLN HA H 15 4.410 4.410 4.544 -0.134 18375 63 1 . 1 1 15 15 GLN C C 15 176.310 176.310 176.980 -0.670 18375 64 1 . 1 1 15 15 GLN CA C 15 55.570 55.570 54.741 0.829 18375 65 1 . 1 1 15 15 GLN CB C 15 31.180 31.180 30.756 0.424 18375 66 1 . 1 1 15 15 GLN H H 15 7.170 7.170 7.822 -0.652 18375 67 1 . 1 1 16 16 CYS N N 16 118.020 118.020 119.009 -0.989 18375 68 1 . 1 1 16 16 CYS HA H 16 4.590 4.590 4.423 0.167 18375 69 1 . 1 1 16 16 CYS C C 16 176.730 176.730 176.795 -0.065 18375 70 1 . 1 1 16 16 CYS CA C 16 61.050 61.050 62.162 -1.112 18375 71 1 . 1 1 16 16 CYS CB C 16 28.600 28.600 27.930 0.670 18375 72 1 . 1 1 16 16 CYS H H 16 9.300 9.300 9.092 0.208 18375 73 1 . 1 1 17 17 THR N N 17 113.910 113.910 112.338 1.572 18375 74 1 . 1 1 17 17 THR HA H 17 3.180 3.180 4.273 -1.093 18375 75 1 . 1 1 17 17 THR C C 17 174.260 174.260 175.634 -1.374 18375 76 1 . 1 1 17 17 THR CA C 17 62.800 62.800 64.507 -1.707 18375 77 1 . 1 1 17 17 THR CB C 17 69.000 69.000 68.151 0.849 18375 78 1 . 1 1 17 17 THR H H 17 7.300 7.300 8.293 -0.993 18375 79 1 . 1 1 18 18 TRP N N 18 123.650 123.650 124.086 -0.436 18375 80 1 . 1 1 18 18 TRP HA H 18 4.380 4.380 4.532 -0.152 18375 81 1 . 1 1 18 18 TRP C C 18 177.910 177.910 177.327 0.583 18375 82 1 . 1 1 18 18 TRP CA C 18 61.600 61.600 60.795 0.805 18375 83 1 . 1 1 18 18 TRP CB C 18 31.320 31.320 29.925 1.395 18375 84 1 . 1 1 18 18 TRP H H 18 6.640 6.640 7.486 -0.846 18375 85 1 . 1 1 19 19 TYR N N 19 115.660 115.660 120.307 -4.647 18375 86 1 . 1 1 19 19 TYR HA H 19 4.120 4.120 4.048 0.072 18375 87 1 . 1 1 19 19 TYR C C 19 177.170 177.170 177.513 -0.343 18375 88 1 . 1 1 19 19 TYR CA C 19 61.370 61.370 61.916 -0.546 18375 89 1 . 1 1 19 19 TYR CB C 19 42.110 42.110 38.614 3.496 18375 90 1 . 1 1 19 19 TYR H H 19 7.680 7.680 9.028 -1.348 18375 91 1 . 1 1 20 20 VAL N N 20 116.740 116.740 119.153 -2.413 18375 92 1 . 1 1 20 20 VAL HA H 20 3.030 3.030 3.531 -0.501 18375 93 1 . 1 1 20 20 VAL C C 20 176.410 176.410 177.871 -1.461 18375 94 1 . 1 1 20 20 VAL CA C 20 68.360 68.360 67.388 0.972 18375 95 1 . 1 1 20 20 VAL CB C 20 32.210 32.210 31.651 0.559 18375 96 1 . 1 1 20 20 VAL H H 20 7.450 7.450 7.999 -0.549 18375 97 1 . 1 1 21 21 TYR N N 21 118.550 118.550 120.588 -2.038 18375 98 1 . 1 1 21 21 TYR HA H 21 3.560 3.560 4.262 -0.702 18375 99 1 . 1 1 21 21 TYR C C 21 176.490 176.490 177.134 -0.644 18375 100 1 . 1 1 21 21 TYR CA C 21 63.990 63.990 61.152 2.838 18375 101 1 . 1 1 21 21 TYR CB C 21 38.970 38.970 38.419 0.551 18375 102 1 . 1 1 21 21 TYR H H 21 8.370 8.370 8.017 0.353 18375 103 1 . 1 1 22 22 ASP N N 22 115.760 115.760 118.753 -2.993 18375 104 1 . 1 1 22 22 ASP HA H 22 4.260 4.260 4.048 0.212 18375 105 1 . 1 1 22 22 ASP C C 22 169.690 169.690 178.645 -8.955 18375 106 1 . 1 1 22 22 ASP CA C 22 58.010 58.010 56.997 1.013 18375 107 1 . 1 1 22 22 ASP CB C 22 41.770 41.770 40.477 1.293 18375 108 1 . 1 1 22 22 ASP H H 22 6.880 6.880 7.864 -0.984 18375 109 1 . 1 1 23 23 LYS N N 23 121.790 121.790 118.331 3.459 18375 110 1 . 1 1 23 23 LYS HA H 23 3.610 3.610 3.745 -0.135 18375 111 1 . 1 1 23 23 LYS C C 23 178.360 178.360 178.346 0.014 18375 112 1 . 1 1 23 23 LYS CA C 23 57.990 57.990 57.757 0.233 18375 113 1 . 1 1 23 23 LYS CB C 23 31.350 31.350 31.545 -0.195 18375 114 1 . 1 1 23 23 LYS H H 23 7.820 7.820 7.787 0.033 18375 115 1 . 1 1 24 24 VAL N N 24 108.790 108.790 110.881 -2.091 18375 116 1 . 1 1 24 24 VAL HA H 24 4.390 4.390 4.151 0.239 18375 117 1 . 1 1 24 24 VAL C C 24 176.840 176.840 176.203 0.637 18375 118 1 . 1 1 24 24 VAL CA C 24 61.430 61.430 61.657 -0.228 18375 119 1 . 1 1 24 24 VAL CB C 24 31.690 31.690 31.307 0.383 18375 120 1 . 1 1 24 24 VAL H H 24 7.590 7.590 7.358 0.232 18375 121 1 . 1 1 25 25 GLY N N 25 110.620 110.620 108.407 2.213 18375 122 1 . 1 1 25 25 GLY C C 25 175.510 175.510 175.009 0.501 18375 123 1 . 1 1 25 25 GLY CA C 25 47.110 47.110 45.138 1.972 18375 124 1 . 1 1 25 25 GLY H H 25 7.680 7.680 7.480 0.200 18375 125 1 . 1 1 26 26 GLY N N 26 122.410 122.410 106.952 15.458 18375 126 1 . 1 1 26 26 GLY C C 26 174.470 174.470 174.267 0.203 18375 127 1 . 1 1 26 26 GLY CA C 26 46.440 46.440 44.735 1.706 18375 128 1 . 1 1 26 26 GLY H H 26 7.870 7.870 7.810 0.060 18375 129 1 . 1 1 27 27 GLU N N 27 116.720 116.720 118.825 -2.105 18375 130 1 . 1 1 27 27 GLU HA H 27 4.150 4.150 4.113 0.037 18375 131 1 . 1 1 27 27 GLU C C 27 175.810 175.810 175.950 -0.140 18375 132 1 . 1 1 27 27 GLU CA C 27 58.110 58.110 57.753 0.357 18375 133 1 . 1 1 27 27 GLU CB C 27 30.500 30.500 30.348 0.152 18375 134 1 . 1 1 27 27 GLU H H 27 6.650 6.650 7.653 -1.003 18375 135 1 . 1 1 28 28 ILE N N 28 125.210 125.210 116.114 9.096 18375 136 1 . 1 1 28 28 ILE HA H 28 4.040 4.040 4.301 -0.261 18375 137 1 . 1 1 28 28 ILE CA C 28 60.160 60.160 60.143 0.017 18375 138 1 . 1 1 28 28 ILE CB C 28 40.940 40.940 39.301 1.639 18375 139 1 . 1 1 28 28 ILE H H 28 6.330 6.330 7.500 -1.170 18375 140 1 . 1 1 29 29 GLY C C 29 174.050 174.050 174.405 -0.355 18375 141 1 . 1 1 29 29 GLY CA C 29 46.190 46.190 45.072 1.118 18375 142 1 . 1 1 30 30 SER N N 30 115.530 115.530 114.454 1.076 18375 143 1 . 1 1 30 30 SER HA H 30 4.140 4.140 3.403 0.737 18375 144 1 . 1 1 30 30 SER C C 30 174.000 174.000 174.509 -0.509 18375 145 1 . 1 1 30 30 SER CA C 30 60.180 60.180 60.005 0.175 18375 146 1 . 1 1 30 30 SER CB C 30 65.150 65.150 61.747 3.403 18375 147 1 . 1 1 30 30 SER H H 30 8.540 8.540 7.557 0.983 18375 148 1 . 1 1 31 31 THR N N 31 124.440 124.440 114.716 9.724 18375 149 1 . 1 1 31 31 THR HA H 31 4.460 4.460 4.417 0.043 18375 150 1 . 1 1 31 31 THR C C 31 175.390 175.390 174.329 1.061 18375 151 1 . 1 1 31 31 THR CA C 31 61.350 61.350 61.622 -0.272 18375 152 1 . 1 1 31 31 THR CB C 31 69.190 69.190 68.968 0.222 18375 153 1 . 1 1 31 31 THR H H 31 7.070 7.070 7.921 -0.851 18375 154 1 . 1 1 32 32 TRP N N 32 121.120 121.120 119.737 1.383 18375 155 1 . 1 1 32 32 TRP HA H 32 4.470 4.470 4.501 -0.031 18375 156 1 . 1 1 32 32 TRP C C 32 175.720 175.720 176.411 -0.691 18375 157 1 . 1 1 32 32 TRP CA C 32 57.500 57.500 55.141 2.359 18375 158 1 . 1 1 32 32 TRP CB C 32 28.670 28.670 27.931 0.739 18375 159 1 . 1 1 32 32 TRP H H 32 7.750 7.750 7.171 0.579 18375 160 1 . 1 1 33 33 GLY N N 33 125.330 125.330 109.803 15.527 18375 161 1 . 1 1 33 33 GLY C C 33 175.520 175.520 173.683 1.837 18375 162 1 . 1 1 33 33 GLY CA C 33 46.390 46.390 45.761 0.629 18375 163 1 . 1 1 33 33 GLY H H 33 8.580 8.580 7.978 0.602 18375 164 1 . 1 1 34 34 ASN N N 34 118.870 118.870 120.854 -1.984 18375 165 1 . 1 1 34 34 ASN HA H 34 4.720 4.720 5.285 -0.565 18375 166 1 . 1 1 34 34 ASN C C 34 175.710 175.710 176.435 -0.725 18375 167 1 . 1 1 34 34 ASN CA C 34 54.630 54.630 52.023 2.607 18375 168 1 . 1 1 34 34 ASN CB C 34 40.050 40.050 40.997 -0.947 18375 169 1 . 1 1 34 34 ASN H H 34 8.780 8.780 8.368 0.412 18375 170 1 . 1 1 35 35 ALA N N 35 121.960 121.960 123.054 -1.094 18375 171 1 . 1 1 35 35 ALA HA H 35 2.920 2.920 3.556 -0.636 18375 172 1 . 1 1 35 35 ALA C C 35 169.710 169.710 178.917 -9.208 18375 173 1 . 1 1 35 35 ALA CA C 35 55.950 55.950 55.137 0.813 18375 174 1 . 1 1 35 35 ALA CB C 35 20.460 20.460 18.452 2.008 18375 175 1 . 1 1 35 35 ALA H H 35 8.750 8.750 8.819 -0.069 18375 176 1 . 1 1 36 36 ASN N N 36 114.940 114.940 115.237 -0.297 18375 177 1 . 1 1 36 36 ASN HA H 36 4.170 4.170 4.608 -0.438 18375 178 1 . 1 1 36 36 ASN C C 36 175.200 175.200 175.764 -0.564 18375 179 1 . 1 1 36 36 ASN CA C 36 55.930 55.930 54.493 1.437 18375 180 1 . 1 1 36 36 ASN CB C 36 36.690 36.690 38.549 -1.859 18375 181 1 . 1 1 36 36 ASN H H 36 8.410 8.410 8.441 -0.031 18375 182 1 . 1 1 37 37 ASN N N 37 120.180 120.180 117.429 2.751 18375 183 1 . 1 1 37 37 ASN HA H 37 5.060 5.060 4.953 0.107 18375 184 1 . 1 1 37 37 ASN C C 37 176.530 176.530 176.015 0.515 18375 185 1 . 1 1 37 37 ASN CA C 37 54.250 54.250 52.678 1.572 18375 186 1 . 1 1 37 37 ASN CB C 37 41.720 41.720 39.107 2.613 18375 187 1 . 1 1 37 37 ASN H H 37 8.850 8.850 7.890 0.960 18375 188 1 . 1 1 38 38 TRP N N 38 118.410 118.410 123.260 -4.850 18375 189 1 . 1 1 38 38 TRP HA H 38 4.190 4.190 4.388 -0.198 18375 190 1 . 1 1 38 38 TRP C C 38 177.390 177.390 178.206 -0.816 18375 191 1 . 1 1 38 38 TRP CA C 38 63.450 63.450 62.511 0.939 18375 192 1 . 1 1 38 38 TRP CB C 38 29.680 29.680 28.780 0.900 18375 193 1 . 1 1 38 38 TRP H H 38 8.240 8.240 7.763 0.477 18375 194 1 . 1 1 39 39 ALA N N 39 118.400 118.400 119.985 -1.585 18375 195 1 . 1 1 39 39 ALA HA H 39 3.770 3.770 3.997 -0.227 18375 196 1 . 1 1 39 39 ALA C C 39 178.580 178.580 179.567 -0.987 18375 197 1 . 1 1 39 39 ALA CA C 39 56.760 56.760 55.576 1.184 18375 198 1 . 1 1 39 39 ALA CB C 39 18.020 18.020 17.590 0.430 18375 199 1 . 1 1 39 39 ALA H H 39 7.150 7.150 8.843 -1.693 18375 200 1 . 1 1 40 40 ALA N N 40 121.830 121.830 121.324 0.506 18375 201 1 . 1 1 40 40 ALA HA H 40 3.990 3.990 4.088 -0.098 18375 202 1 . 1 1 40 40 ALA C C 40 171.320 171.320 179.420 -8.100 18375 203 1 . 1 1 40 40 ALA CA C 40 55.610 55.610 54.513 1.097 18375 204 1 . 1 1 40 40 ALA CB C 40 18.840 18.840 18.381 0.459 18375 205 1 . 1 1 40 40 ALA H H 40 8.060 8.060 7.879 0.181 18375 206 1 . 1 1 41 41 ALA N N 41 122.200 122.200 120.699 1.501 18375 207 1 . 1 1 41 41 ALA HA H 41 3.630 3.630 3.958 -0.328 18375 208 1 . 1 1 41 41 ALA C C 41 170.110 170.110 179.205 -9.095 18375 209 1 . 1 1 41 41 ALA CA C 41 55.240 55.240 54.742 0.498 18375 210 1 . 1 1 41 41 ALA CB C 41 18.020 18.020 18.668 -0.648 18375 211 1 . 1 1 41 41 ALA H H 41 8.250 8.250 8.291 -0.041 18375 212 1 . 1 1 42 42 ALA N N 42 119.600 119.600 121.124 -1.524 18375 213 1 . 1 1 42 42 ALA HA H 42 3.270 3.270 3.273 -0.003 18375 214 1 . 1 1 42 42 ALA C C 42 170.160 170.160 179.467 -9.307 18375 215 1 . 1 1 42 42 ALA CA C 42 55.480 55.480 54.823 0.657 18375 216 1 . 1 1 42 42 ALA CB C 42 19.890 19.890 18.196 1.694 18375 217 1 . 1 1 42 42 ALA H H 42 7.710 7.710 8.712 -1.002 18375 218 1 . 1 1 43 43 GLN N N 43 118.750 118.750 118.184 0.566 18375 219 1 . 1 1 43 43 GLN HA H 43 4.340 4.340 4.123 0.217 18375 220 1 . 1 1 43 43 GLN C C 43 170.980 170.980 178.988 -8.009 18375 221 1 . 1 1 43 43 GLN CA C 43 60.200 60.200 58.161 2.039 18375 222 1 . 1 1 43 43 GLN CB C 43 29.710 29.710 28.877 0.832 18375 223 1 . 1 1 43 43 GLN H H 43 7.880 7.880 7.960 -0.079 18375 224 1 . 1 1 44 44 GLY N N 44 125.760 125.760 106.349 19.411 18375 225 1 . 1 1 44 44 GLY C C 44 174.300 174.300 174.885 -0.585 18375 226 1 . 1 1 44 44 GLY CA C 44 47.660 47.660 45.986 1.674 18375 227 1 . 1 1 44 44 GLY H H 44 8.010 8.010 7.758 0.252 18375 228 1 . 1 1 45 45 ALA N N 45 121.480 121.480 122.345 -0.865 18375 229 1 . 1 1 45 45 ALA HA H 45 4.620 4.620 4.207 0.413 18375 230 1 . 1 1 45 45 ALA C C 45 177.190 177.190 177.408 -0.218 18375 231 1 . 1 1 45 45 ALA CA C 45 52.680 52.680 52.121 0.559 18375 232 1 . 1 1 45 45 ALA CB C 45 20.560 20.560 19.260 1.300 18375 233 1 . 1 1 45 45 ALA H H 45 7.540 7.540 7.497 0.043 18375 234 1 . 1 1 46 46 GLY N N 46 123.690 123.690 105.509 18.181 18375 235 1 . 1 1 46 46 GLY C C 46 174.980 174.980 174.123 0.857 18375 236 1 . 1 1 46 46 GLY CA C 46 46.540 46.540 44.670 1.870 18375 237 1 . 1 1 46 46 GLY H H 46 7.680 7.680 7.435 0.245 18375 238 1 . 1 1 47 47 PHE N N 47 119.960 119.960 119.822 0.138 18375 239 1 . 1 1 47 47 PHE HA H 47 4.620 4.620 4.776 -0.156 18375 240 1 . 1 1 47 47 PHE C C 47 176.120 176.120 175.967 0.153 18375 241 1 . 1 1 47 47 PHE CA C 47 59.000 59.000 54.734 4.266 18375 242 1 . 1 1 47 47 PHE CB C 47 40.350 40.350 39.531 0.820 18375 243 1 . 1 1 47 47 PHE H H 47 8.280 8.280 7.964 0.316 18375 244 1 . 1 1 48 48 THR N N 48 120.680 120.680 119.573 1.107 18375 245 1 . 1 1 48 48 THR HA H 48 4.190 4.190 4.507 -0.318 18375 246 1 . 1 1 48 48 THR C C 48 173.000 173.000 173.233 -0.233 18375 247 1 . 1 1 48 48 THR CA C 48 65.150 65.150 62.061 3.089 18375 248 1 . 1 1 48 48 THR CB C 48 70.530 70.530 68.715 1.815 18375 249 1 . 1 1 48 48 THR H H 48 9.260 9.260 8.795 0.465 18375 250 1 . 1 1 49 49 VAL N N 49 111.320 111.320 125.527 -14.207 18375 251 1 . 1 1 49 49 VAL HA H 49 5.380 5.380 4.909 0.471 18375 252 1 . 1 1 49 49 VAL C C 49 175.570 175.570 174.811 0.759 18375 253 1 . 1 1 49 49 VAL CA C 49 61.510 61.510 60.499 1.010 18375 254 1 . 1 1 49 49 VAL CB C 49 34.960 34.960 33.519 1.441 18375 255 1 . 1 1 49 49 VAL H H 49 8.560 8.560 8.465 0.095 18375 256 1 . 1 1 50 50 ASN N N 50 125.000 125.000 124.976 0.024 18375 257 1 . 1 1 50 50 ASN HA H 50 4.800 4.800 5.008 -0.208 18375 258 1 . 1 1 50 50 ASN C C 50 174.270 174.270 173.929 0.341 18375 259 1 . 1 1 50 50 ASN CA C 50 53.430 53.430 52.587 0.843 18375 260 1 . 1 1 50 50 ASN CB C 50 39.100 39.100 40.661 -1.561 18375 261 1 . 1 1 50 50 ASN H H 50 9.010 9.010 8.647 0.363 18375 262 1 . 1 1 51 51 HIS N N 51 114.650 114.650 116.295 -1.645 18375 263 1 . 1 1 51 51 HIS HA H 51 5.760 5.760 4.793 0.967 18375 264 1 . 1 1 51 51 HIS C C 51 174.060 174.060 173.429 0.631 18375 265 1 . 1 1 51 51 HIS CA C 51 56.360 56.360 56.091 0.269 18375 266 1 . 1 1 51 51 HIS CB C 51 29.980 29.980 29.443 0.537 18375 267 1 . 1 1 51 51 HIS H H 51 8.550 8.550 8.303 0.247 18375 268 1 . 1 1 52 52 THR N N 52 119.910 119.910 117.780 2.130 18375 269 1 . 1 1 52 52 THR HA H 52 4.600 4.600 4.526 0.074 18375 270 1 . 1 1 52 52 THR CA C 52 60.140 60.140 60.094 0.046 18375 271 1 . 1 1 52 52 THR CB C 52 71.890 71.890 70.412 1.478 18375 272 1 . 1 1 52 52 THR H H 52 8.500 8.500 7.659 0.841 18375 273 1 . 1 1 53 53 PRO HA H 53 2.920 2.920 4.252 -1.332 18375 274 1 . 1 1 53 53 PRO C C 53 175.410 175.410 175.670 -0.260 18375 275 1 . 1 1 53 53 PRO CA C 53 62.460 62.460 62.988 -0.528 18375 276 1 . 1 1 53 53 PRO CB C 53 33.410 33.410 32.248 1.162 18375 277 1 . 1 1 54 54 SER N N 54 108.990 108.990 115.854 -6.864 18375 278 1 . 1 1 54 54 SER HA H 54 4.300 4.300 4.541 -0.241 18375 279 1 . 1 1 54 54 SER C C 54 172.380 172.380 172.837 -0.457 18375 280 1 . 1 1 54 54 SER CA C 54 58.270 58.270 57.038 1.232 18375 281 1 . 1 1 54 54 SER CB C 54 66.620 66.620 65.471 1.149 18375 282 1 . 1 1 54 54 SER H H 54 6.000 6.000 8.011 -2.011 18375 283 1 . 1 1 55 55 LYS N N 55 124.470 124.470 123.781 0.689 18375 284 1 . 1 1 55 55 LYS HA H 55 3.500 3.500 3.877 -0.377 18375 285 1 . 1 1 55 55 LYS C C 55 177.150 177.150 177.525 -0.375 18375 286 1 . 1 1 55 55 LYS CA C 55 59.850 59.850 57.743 2.107 18375 287 1 . 1 1 55 55 LYS CB C 55 33.010 33.010 31.995 1.015 18375 288 1 . 1 1 55 55 LYS H H 55 8.860 8.860 8.677 0.183 18375 289 1 . 1 1 56 56 GLY N N 56 116.710 116.710 113.840 2.870 18375 290 1 . 1 1 56 56 GLY C C 56 173.430 173.430 173.355 0.075 18375 291 1 . 1 1 56 56 GLY CA C 56 45.600 45.600 44.867 0.733 18375 292 1 . 1 1 56 56 GLY H H 56 8.950 8.950 8.606 0.344 18375 293 1 . 1 1 57 57 ALA N N 57 118.940 118.940 121.678 -2.738 18375 294 1 . 1 1 57 57 ALA HA H 57 4.630 4.630 4.750 -0.120 18375 295 1 . 1 1 57 57 ALA C C 57 174.570 174.570 175.265 -0.695 18375 296 1 . 1 1 57 57 ALA CA C 57 51.840 51.840 50.418 1.422 18375 297 1 . 1 1 57 57 ALA CB C 57 20.960 20.960 21.485 -0.525 18375 298 1 . 1 1 57 57 ALA H H 57 7.420 7.420 7.687 -0.267 18375 299 1 . 1 1 58 58 ILE N N 58 117.340 117.340 116.378 0.962 18375 300 1 . 1 1 58 58 ILE HA H 58 4.720 4.720 4.718 0.002 18375 301 1 . 1 1 58 58 ILE C C 58 176.920 176.920 174.457 2.463 18375 302 1 . 1 1 58 58 ILE CA C 58 60.910 60.910 60.100 0.810 18375 303 1 . 1 1 58 58 ILE CB C 58 41.820 41.820 42.215 -0.395 18375 304 1 . 1 1 58 58 ILE H H 58 8.350 8.350 8.366 -0.016 18375 305 1 . 1 1 59 59 LEU N N 59 112.330 112.330 123.071 -10.741 18375 306 1 . 1 1 59 59 LEU HA H 59 4.220 4.220 4.793 -0.573 18375 307 1 . 1 1 59 59 LEU C C 59 174.530 174.530 174.820 -0.290 18375 308 1 . 1 1 59 59 LEU CA C 59 56.430 56.430 53.911 2.519 18375 309 1 . 1 1 59 59 LEU CB C 59 44.160 44.160 44.758 -0.598 18375 310 1 . 1 1 59 59 LEU H H 59 8.430 8.430 8.502 -0.072 18375 311 1 . 1 1 60 60 GLN N N 60 111.170 111.170 123.885 -12.715 18375 312 1 . 1 1 60 60 GLN HA H 60 4.970 4.970 5.204 -0.234 18375 313 1 . 1 1 60 60 GLN C C 60 172.980 172.980 174.043 -1.063 18375 314 1 . 1 1 60 60 GLN CA C 60 56.720 56.720 54.415 2.305 18375 315 1 . 1 1 60 60 GLN CB C 60 30.950 30.950 32.414 -1.464 18375 316 1 . 1 1 60 60 GLN H H 60 9.490 9.490 8.527 0.963 18375 317 1 . 1 1 61 61 SER N N 61 118.550 118.550 119.243 -0.693 18375 318 1 . 1 1 61 61 SER HA H 61 4.940 4.940 4.898 0.042 18375 319 1 . 1 1 61 61 SER C C 61 174.370 174.370 174.165 0.205 18375 320 1 . 1 1 61 61 SER CA C 61 56.570 56.570 56.643 -0.073 18375 321 1 . 1 1 61 61 SER CB C 61 67.130 67.130 64.870 2.260 18375 322 1 . 1 1 61 61 SER H H 61 8.800 8.800 8.627 0.173 18375 323 1 . 1 1 62 62 SER N N 62 120.910 120.910 120.029 0.881 18375 324 1 . 1 1 62 62 SER HA H 62 4.540 4.540 4.515 0.025 18375 325 1 . 1 1 62 62 SER C C 62 173.560 173.560 174.590 -1.030 18375 326 1 . 1 1 62 62 SER CA C 62 59.270 59.270 59.192 0.078 18375 327 1 . 1 1 62 62 SER CB C 62 64.390 64.390 63.208 1.182 18375 328 1 . 1 1 62 62 SER H H 62 8.900 8.900 8.816 0.084 18375 329 1 . 1 1 63 63 GLU N N 63 121.810 121.810 121.835 -0.025 18375 330 1 . 1 1 63 63 GLU HA H 63 4.220 4.220 4.447 -0.227 18375 331 1 . 1 1 63 63 GLU C C 63 176.030 176.030 176.233 -0.203 18375 332 1 . 1 1 63 63 GLU CA C 63 57.840 57.840 56.154 1.686 18375 333 1 . 1 1 63 63 GLU CB C 63 32.170 32.170 30.162 2.008 18375 334 1 . 1 1 63 63 GLU H H 63 8.040 8.040 7.748 0.292 18375 335 1 . 1 1 64 64 GLY N N 64 125.900 125.900 109.284 16.616 18375 336 1 . 1 1 64 64 GLY CA C 64 45.490 45.490 44.645 0.845 18375 337 1 . 1 1 64 64 GLY H H 64 8.200 8.200 8.033 0.167 18375 338 1 . 1 1 65 65 PRO HA H 65 4.040 4.040 4.297 -0.257 18375 339 1 . 1 1 65 65 PRO C C 65 177.870 177.870 176.452 1.418 18375 340 1 . 1 1 65 65 PRO CA C 65 65.610 65.610 64.629 0.981 18375 341 1 . 1 1 65 65 PRO CB C 65 32.160 32.160 31.972 0.188 18375 342 1 . 1 1 66 66 PHE N N 66 112.970 112.970 115.426 -2.456 18375 343 1 . 1 1 66 66 PHE HA H 66 4.920 4.920 4.758 0.162 18375 344 1 . 1 1 66 66 PHE C C 66 176.190 176.190 175.324 0.866 18375 345 1 . 1 1 66 66 PHE CA C 66 57.420 57.420 57.055 0.364 18375 346 1 . 1 1 66 66 PHE CB C 66 42.360 42.360 39.666 2.694 18375 347 1 . 1 1 66 66 PHE H H 66 8.490 8.490 7.965 0.525 18375 348 1 . 1 1 67 67 GLY N N 67 124.370 124.370 107.790 16.580 18375 349 1 . 1 1 67 67 GLY C C 67 172.480 172.480 172.815 -0.335 18375 350 1 . 1 1 67 67 GLY CA C 67 46.860 46.860 44.798 2.062 18375 351 1 . 1 1 67 67 GLY H H 67 6.940 6.940 7.630 -0.690 18375 352 1 . 1 1 68 68 HIS N N 68 117.820 117.820 119.443 -1.623 18375 353 1 . 1 1 68 68 HIS HA H 68 5.020 5.020 4.828 0.192 18375 354 1 . 1 1 68 68 HIS C C 68 173.790 173.790 173.200 0.591 18375 355 1 . 1 1 68 68 HIS CA C 68 58.230 58.230 55.074 3.156 18375 356 1 . 1 1 68 68 HIS CB C 68 36.120 36.120 31.634 4.486 18375 357 1 . 1 1 68 68 HIS H H 68 8.590 8.590 8.217 0.373 18375 358 1 . 1 1 69 69 VAL N N 69 116.830 116.830 121.465 -4.635 18375 359 1 . 1 1 69 69 VAL HA H 69 5.320 5.320 4.870 0.450 18375 360 1 . 1 1 69 69 VAL C C 69 173.060 173.060 173.621 -0.561 18375 361 1 . 1 1 69 69 VAL CA C 69 58.940 58.940 59.148 -0.208 18375 362 1 . 1 1 69 69 VAL CB C 69 37.700 37.700 33.272 4.428 18375 363 1 . 1 1 69 69 VAL H H 69 6.040 6.040 7.849 -1.809 18375 364 1 . 1 1 70 70 ALA N N 70 120.820 120.820 128.544 -7.724 18375 365 1 . 1 1 70 70 ALA HA H 70 4.510 4.510 4.632 -0.122 18375 366 1 . 1 1 70 70 ALA C C 70 173.870 173.870 175.523 -1.653 18375 367 1 . 1 1 70 70 ALA CA C 70 51.560 51.560 50.383 1.177 18375 368 1 . 1 1 70 70 ALA CB C 70 26.390 26.390 21.901 4.489 18375 369 1 . 1 1 70 70 ALA H H 70 8.890 8.890 8.228 0.662 18375 370 1 . 1 1 71 71 TYR N N 71 121.640 121.640 126.372 -4.732 18375 371 1 . 1 1 71 71 TYR HA H 71 4.890 4.890 4.460 0.430 18375 372 1 . 1 1 71 71 TYR C C 71 174.620 174.620 174.301 0.319 18375 373 1 . 1 1 71 71 TYR CA C 71 58.140 58.140 58.269 -0.129 18375 374 1 . 1 1 71 71 TYR CB C 71 42.850 42.850 39.463 3.387 18375 375 1 . 1 1 71 71 TYR H H 71 9.310 9.310 8.397 0.913 18375 376 1 . 1 1 72 72 VAL N N 72 126.010 126.010 127.851 -1.841 18375 377 1 . 1 1 72 72 VAL HA H 72 3.880 3.880 3.848 0.032 18375 378 1 . 1 1 72 72 VAL C C 72 174.250 174.250 175.566 -1.316 18375 379 1 . 1 1 72 72 VAL CA C 72 64.970 64.970 62.496 2.474 18375 380 1 . 1 1 72 72 VAL CB C 72 31.470 31.470 30.913 0.557 18375 381 1 . 1 1 72 72 VAL H H 72 8.230 8.230 8.593 -0.363 18375 382 1 . 1 1 73 73 GLU N N 73 112.690 112.690 128.484 -15.794 18375 383 1 . 1 1 73 73 GLU HA H 73 4.250 4.250 4.182 0.068 18375 384 1 . 1 1 73 73 GLU C C 73 178.020 178.020 176.275 1.745 18375 385 1 . 1 1 73 73 GLU CA C 73 58.400 58.400 57.865 0.535 18375 386 1 . 1 1 73 73 GLU CB C 73 31.050 31.050 30.852 0.198 18375 387 1 . 1 1 73 73 GLU H H 73 8.820 8.820 8.487 0.333 18375 388 1 . 1 1 74 74 SER N N 74 125.880 125.880 110.488 15.392 18375 389 1 . 1 1 74 74 SER HA H 74 4.330 4.330 4.554 -0.224 18375 390 1 . 1 1 74 74 SER C C 74 172.030 172.030 171.862 0.168 18375 391 1 . 1 1 74 74 SER CA C 74 59.220 59.220 57.866 1.354 18375 392 1 . 1 1 74 74 SER CB C 74 65.620 65.620 65.405 0.215 18375 393 1 . 1 1 74 74 SER H H 74 7.900 7.900 7.694 0.206 18375 394 1 . 1 1 75 75 VAL N N 75 122.760 122.760 122.310 0.450 18375 395 1 . 1 1 75 75 VAL HA H 75 4.320 4.320 4.172 0.148 18375 396 1 . 1 1 75 75 VAL C C 75 176.270 176.270 174.931 1.339 18375 397 1 . 1 1 75 75 VAL CA C 75 63.380 63.380 60.738 2.642 18375 398 1 . 1 1 75 75 VAL CB C 75 32.750 32.750 33.150 -0.400 18375 399 1 . 1 1 75 75 VAL H H 75 8.400 8.400 8.421 -0.021 18375 400 1 . 1 1 76 76 ASN N N 76 125.270 125.270 126.530 -1.260 18375 401 1 . 1 1 76 76 ASN HA H 76 4.790 4.790 4.853 -0.063 18375 402 1 . 1 1 76 76 ASN CA C 76 54.260 54.260 52.911 1.349 18375 403 1 . 1 1 76 76 ASN CB C 76 39.960 39.960 39.468 0.492 18375 404 1 . 1 1 76 76 ASN H H 76 9.080 9.080 8.911 0.169 18375 405 1 . 1 1 77 77 SER HA H 77 4.130 4.130 4.308 -0.178 18375 406 1 . 1 1 77 77 SER C C 77 174.410 174.410 174.768 -0.358 18375 407 1 . 1 1 77 77 SER CA C 77 62.670 62.670 60.599 2.071 18375 408 1 . 1 1 77 77 SER CB C 77 63.600 63.600 62.989 0.611 18375 409 1 . 1 1 78 78 ASP N N 78 118.590 118.590 119.349 -0.759 18375 410 1 . 1 1 78 78 ASP HA H 78 4.580 4.580 4.627 -0.047 18375 411 1 . 1 1 78 78 ASP C C 78 176.790 176.790 177.034 -0.244 18375 412 1 . 1 1 78 78 ASP CA C 78 53.960 53.960 54.246 -0.286 18375 413 1 . 1 1 78 78 ASP CB C 78 40.880 40.880 40.734 0.146 18375 414 1 . 1 1 78 78 ASP H H 78 7.980 7.980 8.206 -0.226 18375 415 1 . 1 1 79 79 GLY N N 79 109.220 109.220 107.051 2.169 18375 416 1 . 1 1 79 79 GLY C C 79 173.470 173.470 173.562 -0.092 18375 417 1 . 1 1 79 79 GLY CA C 79 46.050 46.050 44.956 1.094 18375 418 1 . 1 1 79 79 GLY H H 79 8.180 8.180 7.847 0.333 18375 419 1 . 1 1 80 80 SER N N 80 114.200 114.200 117.385 -3.185 18375 420 1 . 1 1 80 80 SER HA H 80 4.350 4.350 4.941 -0.591 18375 421 1 . 1 1 80 80 SER C C 80 172.630 172.630 173.974 -1.344 18375 422 1 . 1 1 80 80 SER CA C 80 59.580 59.580 58.227 1.352 18375 423 1 . 1 1 80 80 SER CB C 80 65.710 65.710 64.792 0.918 18375 424 1 . 1 1 80 80 SER H H 80 7.930 7.930 7.739 0.191 18375 425 1 . 1 1 81 81 VAL N N 81 118.060 118.060 121.974 -3.914 18375 426 1 . 1 1 81 81 VAL HA H 81 4.690 4.690 4.364 0.326 18375 427 1 . 1 1 81 81 VAL C C 81 175.220 175.220 175.404 -0.184 18375 428 1 . 1 1 81 81 VAL CA C 81 61.980 61.980 60.849 1.131 18375 429 1 . 1 1 81 81 VAL CB C 81 36.810 36.810 33.358 3.452 18375 430 1 . 1 1 81 81 VAL H H 81 8.820 8.820 8.993 -0.173 18375 431 1 . 1 1 82 82 THR N N 82 125.170 125.170 123.950 1.220 18375 432 1 . 1 1 82 82 THR HA H 82 5.190 5.190 4.724 0.466 18375 433 1 . 1 1 82 82 THR C C 82 174.150 174.150 173.991 0.159 18375 434 1 . 1 1 82 82 THR CA C 82 63.440 63.440 62.784 0.656 18375 435 1 . 1 1 82 82 THR CB C 82 70.520 70.520 68.682 1.838 18375 436 1 . 1 1 82 82 THR H H 82 9.020 9.020 8.818 0.202 18375 437 1 . 1 1 83 83 ILE N N 83 120.970 120.970 123.487 -2.517 18375 438 1 . 1 1 83 83 ILE HA H 83 5.640 5.640 5.002 0.638 18375 439 1 . 1 1 83 83 ILE C C 83 175.030 175.030 173.986 1.044 18375 440 1 . 1 1 83 83 ILE CA C 83 59.440 59.440 58.809 0.631 18375 441 1 . 1 1 83 83 ILE CB C 83 42.170 42.170 41.245 0.925 18375 442 1 . 1 1 83 83 ILE H H 83 9.280 9.280 8.245 1.035 18375 443 1 . 1 1 84 84 SER N N 84 115.430 115.430 117.730 -2.300 18375 444 1 . 1 1 84 84 SER HA H 84 5.590 5.590 5.209 0.381 18375 445 1 . 1 1 84 84 SER C C 84 173.130 173.130 173.452 -0.322 18375 446 1 . 1 1 84 84 SER CA C 84 58.050 58.050 57.220 0.830 18375 447 1 . 1 1 84 84 SER CB C 84 67.140 67.140 65.303 1.836 18375 448 1 . 1 1 84 84 SER H H 84 9.600 9.600 9.036 0.564 18375 449 1 . 1 1 85 85 GLU N N 85 117.660 117.660 124.670 -7.010 18375 450 1 . 1 1 85 85 GLU HA H 85 5.180 5.180 4.907 0.273 18375 451 1 . 1 1 85 85 GLU C C 85 171.780 171.780 174.537 -2.757 18375 452 1 . 1 1 85 85 GLU CA C 85 54.880 54.880 54.617 0.263 18375 453 1 . 1 1 85 85 GLU CB C 85 33.540 33.540 32.016 1.524 18375 454 1 . 1 1 85 85 GLU H H 85 8.800 8.800 8.443 0.357 18375 455 1 . 1 1 86 86 MET N N 86 118.950 118.950 125.928 -6.978 18375 456 1 . 1 1 86 86 MET HA H 86 5.250 5.250 4.384 0.866 18375 457 1 . 1 1 86 86 MET C C 86 175.010 175.010 176.196 -1.186 18375 458 1 . 1 1 86 86 MET CA C 86 53.880 53.880 56.155 -2.275 18375 459 1 . 1 1 86 86 MET CB C 86 38.240 38.240 33.269 4.971 18375 460 1 . 1 1 86 86 MET H H 86 8.490 8.490 8.732 -0.242 18375 461 1 . 1 1 87 87 ASN N N 87 116.670 116.670 125.764 -9.094 18375 462 1 . 1 1 87 87 ASN HA H 87 4.190 4.190 4.391 -0.201 18375 463 1 . 1 1 87 87 ASN C C 87 174.810 174.810 175.771 -0.961 18375 464 1 . 1 1 87 87 ASN CA C 87 54.520 54.520 56.211 -1.691 18375 465 1 . 1 1 87 87 ASN CB C 87 39.330 39.330 37.525 1.805 18375 466 1 . 1 1 87 87 ASN H H 87 8.250 8.250 9.088 -0.838 18375 467 1 . 1 1 88 88 TYR N N 88 119.600 119.600 119.005 0.595 18375 468 1 . 1 1 88 88 TYR HA H 88 4.290 4.290 4.054 0.236 18375 469 1 . 1 1 88 88 TYR C C 88 175.620 175.620 174.575 1.045 18375 470 1 . 1 1 88 88 TYR CA C 88 60.720 60.720 60.604 0.116 18375 471 1 . 1 1 88 88 TYR CB C 88 41.430 41.430 37.505 3.925 18375 472 1 . 1 1 88 88 TYR H H 88 8.940 8.940 8.549 0.391 18375 473 1 . 1 1 89 89 SER N N 89 113.120 113.120 114.526 -1.406 18375 474 1 . 1 1 89 89 SER HA H 89 4.320 4.320 4.243 0.077 18375 475 1 . 1 1 89 89 SER C C 89 174.860 174.860 173.779 1.081 18375 476 1 . 1 1 89 89 SER CA C 89 58.690 58.690 58.442 0.248 18375 477 1 . 1 1 89 89 SER CB C 89 65.140 65.140 63.187 1.953 18375 478 1 . 1 1 89 89 SER H H 89 8.060 8.060 8.138 -0.078 18375 479 1 . 1 1 90 90 GLY N N 90 110.450 110.450 111.066 -0.616 18375 480 1 . 1 1 90 90 GLY C C 90 174.680 174.680 173.542 1.138 18375 481 1 . 1 1 90 90 GLY CA C 90 45.950 45.950 45.638 0.312 18375 482 1 . 1 1 90 90 GLY H H 90 8.180 8.180 8.278 -0.098 18375 483 1 . 1 1 91 91 GLY N N 91 108.710 108.710 111.067 -2.357 18375 484 1 . 1 1 91 91 GLY CA C 91 45.880 45.880 43.033 2.847 18375 485 1 . 1 1 91 91 GLY H H 91 8.330 8.330 8.204 0.126 18375 486 1 . 1 1 92 92 PRO HA H 92 4.040 4.040 4.310 -0.270 18375 487 1 . 1 1 92 92 PRO C C 92 177.930 177.930 176.404 1.526 18375 488 1 . 1 1 92 92 PRO CA C 92 64.710 64.710 63.463 1.247 18375 489 1 . 1 1 92 92 PRO CB C 92 32.690 32.690 31.778 0.912 18375 490 1 . 1 1 93 93 PHE N N 93 113.220 113.220 118.249 -5.029 18375 491 1 . 1 1 93 93 PHE HA H 93 4.480 4.480 4.092 0.388 18375 492 1 . 1 1 93 93 PHE C C 93 174.490 174.490 175.721 -1.231 18375 493 1 . 1 1 93 93 PHE CA C 93 62.890 62.890 59.246 3.644 18375 494 1 . 1 1 93 93 PHE CB C 93 37.410 37.410 37.001 0.409 18375 495 1 . 1 1 93 93 PHE H H 93 8.350 8.350 8.119 0.231 18375 496 1 . 1 1 94 94 SER N N 94 115.680 115.680 117.851 -2.171 18375 497 1 . 1 1 94 94 SER HA H 94 4.620 4.620 4.440 0.180 18375 498 1 . 1 1 94 94 SER C C 94 174.290 174.290 174.670 -0.380 18375 499 1 . 1 1 94 94 SER CA C 94 59.150 59.150 58.731 0.419 18375 500 1 . 1 1 94 94 SER CB C 94 64.690 64.690 62.797 1.893 18375 501 1 . 1 1 94 94 SER H H 94 7.980 7.980 7.980 -0.000 18375 502 1 . 1 1 95 95 VAL N N 95 112.520 112.520 127.389 -14.869 18375 503 1 . 1 1 95 95 VAL HA H 95 4.830 4.830 3.878 0.952 18375 504 1 . 1 1 95 95 VAL C C 95 175.770 175.770 174.917 0.853 18375 505 1 . 1 1 95 95 VAL CA C 95 62.520 62.520 62.251 0.269 18375 506 1 . 1 1 95 95 VAL CB C 95 34.010 34.010 31.282 2.728 18375 507 1 . 1 1 95 95 VAL H H 95 8.840 8.840 8.004 0.836 18375 508 1 . 1 1 96 96 SER N N 96 122.260 122.260 124.850 -2.590 18375 509 1 . 1 1 96 96 SER HA H 96 4.810 4.810 4.480 0.330 18375 510 1 . 1 1 96 96 SER C C 96 172.250 172.250 173.763 -1.513 18375 511 1 . 1 1 96 96 SER CA C 96 58.080 58.080 58.318 -0.238 18375 512 1 . 1 1 96 96 SER CB C 96 66.590 66.590 63.388 3.202 18375 513 1 . 1 1 96 96 SER H H 96 9.190 9.190 8.760 0.430 18375 514 1 . 1 1 97 97 SER N N 97 112.810 112.810 122.794 -9.984 18375 515 1 . 1 1 97 97 SER HA H 97 5.620 5.620 4.832 0.788 18375 516 1 . 1 1 97 97 SER C C 97 174.130 174.130 174.278 -0.148 18375 517 1 . 1 1 97 97 SER CA C 97 57.260 57.260 58.179 -0.919 18375 518 1 . 1 1 97 97 SER CB C 97 66.740 66.740 63.561 3.179 18375 519 1 . 1 1 97 97 SER H H 97 8.290 8.290 8.455 -0.165 18375 520 1 . 1 1 98 98 ARG N N 98 122.640 122.640 126.505 -3.865 18375 521 1 . 1 1 98 98 ARG HA H 98 4.650 4.650 4.664 -0.014 18375 522 1 . 1 1 98 98 ARG C C 98 174.030 174.030 174.749 -0.719 18375 523 1 . 1 1 98 98 ARG CA C 98 56.640 56.640 54.787 1.853 18375 524 1 . 1 1 98 98 ARG CB C 98 36.240 36.240 33.481 2.759 18375 525 1 . 1 1 98 98 ARG H H 98 8.380 8.380 8.154 0.226 18375 526 1 . 1 1 99 99 THR N N 99 118.220 118.220 118.785 -0.565 18375 527 1 . 1 1 99 99 THR HA H 99 5.280 5.280 5.137 0.143 18375 528 1 . 1 1 99 99 THR C C 99 173.930 173.930 173.876 0.054 18375 529 1 . 1 1 99 99 THR CA C 99 62.820 62.820 61.613 1.207 18375 530 1 . 1 1 99 99 THR CB C 99 71.360 71.360 69.871 1.489 18375 531 1 . 1 1 99 99 THR H H 99 8.650 8.650 8.389 0.261 18375 532 1 . 1 1 100 100 ILE N N 100 112.130 112.130 128.536 -16.406 18375 533 1 . 1 1 100 100 ILE HA H 100 4.290 4.290 4.266 0.024 18375 534 1 . 1 1 100 100 ILE C C 100 175.190 175.190 175.588 -0.398 18375 535 1 . 1 1 100 100 ILE CA C 100 60.340 60.340 59.262 1.078 18375 536 1 . 1 1 100 100 ILE CB C 100 40.390 40.390 37.566 2.824 18375 537 1 . 1 1 100 100 ILE H H 100 9.560 9.560 8.860 0.700 18375 538 1 . 1 1 101 101 SER N N 101 121.940 121.940 123.478 -1.538 18375 539 1 . 1 1 101 101 SER HA H 101 4.120 4.120 4.472 -0.352 18375 540 1 . 1 1 101 101 SER C C 101 174.230 174.230 175.672 -1.442 18375 541 1 . 1 1 101 101 SER CA C 101 59.450 59.450 57.864 1.586 18375 542 1 . 1 1 101 101 SER CB C 101 65.410 65.410 64.355 1.055 18375 543 1 . 1 1 101 101 SER H H 101 8.860 8.860 8.669 0.191 18375 544 1 . 1 1 102 102 ALA N N 102 123.870 123.870 129.046 -5.176 18375 545 1 . 1 1 102 102 ALA HA H 102 3.910 3.910 3.978 -0.068 18375 546 1 . 1 1 102 102 ALA C C 102 170.440 170.440 179.451 -9.011 18375 547 1 . 1 1 102 102 ALA CA C 102 56.360 56.360 55.239 1.121 18375 548 1 . 1 1 102 102 ALA CB C 102 19.430 19.430 18.501 0.929 18375 549 1 . 1 1 102 102 ALA H H 102 8.860 8.860 8.884 -0.024 18375 550 1 . 1 1 103 103 SER N N 103 109.980 109.980 113.375 -3.395 18375 551 1 . 1 1 103 103 SER HA H 103 4.200 4.200 4.105 0.095 18375 552 1 . 1 1 103 103 SER C C 103 176.050 176.050 176.329 -0.279 18375 553 1 . 1 1 103 103 SER CA C 103 61.680 61.680 61.174 0.506 18375 554 1 . 1 1 103 103 SER CB C 103 63.640 63.640 62.873 0.767 18375 555 1 . 1 1 103 103 SER H H 103 8.180 8.180 8.113 0.067 18375 556 1 . 1 1 104 104 GLU N N 104 121.250 121.250 120.638 0.612 18375 557 1 . 1 1 104 104 GLU HA H 104 4.260 4.260 4.168 0.092 18375 558 1 . 1 1 104 104 GLU C C 104 178.240 178.240 178.271 -0.031 18375 559 1 . 1 1 104 104 GLU CA C 104 57.960 57.960 57.926 0.034 18375 560 1 . 1 1 104 104 GLU CB C 104 32.210 32.210 29.721 2.489 18375 561 1 . 1 1 104 104 GLU H H 104 7.560 7.560 7.675 -0.115 18375 562 1 . 1 1 105 105 ALA N N 105 121.520 121.520 122.529 -1.009 18375 563 1 . 1 1 105 105 ALA HA H 105 4.060 4.060 4.317 -0.257 18375 564 1 . 1 1 105 105 ALA C C 105 170.230 170.230 179.653 -9.423 18375 565 1 . 1 1 105 105 ALA CA C 105 57.080 57.080 54.745 2.335 18375 566 1 . 1 1 105 105 ALA CB C 105 19.320 19.320 18.271 1.049 18375 567 1 . 1 1 105 105 ALA H H 105 8.280 8.280 8.332 -0.052 18375 568 1 . 1 1 106 106 GLY N N 106 121.950 121.950 105.267 16.683 18375 569 1 . 1 1 106 106 GLY C C 106 174.110 174.110 174.935 -0.825 18375 570 1 . 1 1 106 106 GLY CA C 106 46.780 46.780 46.006 0.774 18375 571 1 . 1 1 106 106 GLY H H 106 8.360 8.360 8.082 0.278 18375 572 1 . 1 1 107 107 ASN N N 107 117.130 117.130 118.235 -1.105 18375 573 1 . 1 1 107 107 ASN HA H 107 4.480 4.480 4.489 -0.009 18375 574 1 . 1 1 107 107 ASN C C 107 175.110 175.110 175.050 0.060 18375 575 1 . 1 1 107 107 ASN CA C 107 54.220 54.220 53.570 0.650 18375 576 1 . 1 1 107 107 ASN CB C 107 38.890 38.890 39.368 -0.478 18375 577 1 . 1 1 107 107 ASN H H 107 7.830 7.830 7.566 0.264 18375 578 1 . 1 1 108 108 TYR N N 108 117.300 117.300 119.389 -2.089 18375 579 1 . 1 1 108 108 TYR HA H 108 4.620 4.620 4.680 -0.060 18375 580 1 . 1 1 108 108 TYR C C 108 174.810 174.810 175.868 -1.058 18375 581 1 . 1 1 108 108 TYR CA C 108 58.700 58.700 58.638 0.062 18375 582 1 . 1 1 108 108 TYR CB C 108 41.260 41.260 38.414 2.846 18375 583 1 . 1 1 108 108 TYR H H 108 7.020 7.020 7.396 -0.376 18375 584 1 . 1 1 109 109 ASN N N 109 117.260 117.260 120.358 -3.098 18375 585 1 . 1 1 109 109 ASN HA H 109 5.020 5.020 5.166 -0.146 18375 586 1 . 1 1 109 109 ASN C C 109 173.590 173.590 174.159 -0.569 18375 587 1 . 1 1 109 109 ASN CA C 109 53.140 53.140 53.096 0.044 18375 588 1 . 1 1 109 109 ASN CB C 109 41.590 41.590 40.618 0.972 18375 589 1 . 1 1 109 109 ASN H H 109 7.910 7.910 8.639 -0.729 18375 590 1 . 1 1 110 110 TYR N N 110 117.410 117.410 116.931 0.479 18375 591 1 . 1 1 110 110 TYR HA H 110 5.300 5.300 5.213 0.087 18375 592 1 . 1 1 110 110 TYR C C 110 174.450 174.450 173.727 0.723 18375 593 1 . 1 1 110 110 TYR CA C 110 57.740 57.740 55.861 1.879 18375 594 1 . 1 1 110 110 TYR CB C 110 41.580 41.580 41.019 0.561 18375 595 1 . 1 1 110 110 TYR H H 110 9.340 9.340 8.705 0.635 18375 596 1 . 1 1 111 111 ILE N N 111 123.080 123.080 118.813 4.267 18375 597 1 . 1 1 111 111 ILE HA H 111 4.360 4.360 4.731 -0.371 18375 598 1 . 1 1 111 111 ILE C C 111 175.250 175.250 174.314 0.936 18375 599 1 . 1 1 111 111 ILE CA C 111 61.530 61.530 59.843 1.687 18375 600 1 . 1 1 111 111 ILE CB C 111 40.560 40.560 39.763 0.797 18375 601 1 . 1 1 111 111 ILE H H 111 9.320 9.320 8.534 0.786 18375 602 1 . 1 1 112 112 HIS N N 112 109.020 109.020 124.206 -15.186 18375 603 1 . 1 1 112 112 HIS HA H 112 4.560 4.560 4.793 -0.233 18375 604 1 . 1 1 112 112 HIS C C 112 173.980 173.980 174.609 -0.629 18375 605 1 . 1 1 112 112 HIS CA C 112 57.550 57.550 54.745 2.805 18375 606 1 . 1 1 112 112 HIS CB C 112 31.350 31.350 32.246 -0.896 18375 607 1 . 1 1 112 112 HIS H H 112 8.710 8.710 8.415 0.295 18375 stop_ save_