data_17767 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17767 _Entry.PDB_ID 2LFO 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 17767 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 PHE HA H 2 4.460 4.460 4.846 -0.386 17767 2 1 1 . 1 1 2 2 PHE C C 2 175.900 175.900 175.731 0.169 17767 3 1 1 . 1 1 2 2 PHE CA C 2 61.170 61.170 58.632 2.538 17767 4 1 1 . 1 1 2 2 PHE CB C 2 40.690 40.690 39.898 0.792 17767 5 1 1 . 1 1 3 3 SER N N 3 111.380 111.380 115.336 -3.956 17767 6 1 1 . 1 1 3 3 SER HA H 3 4.420 4.420 4.430 -0.010 17767 7 1 1 . 1 1 3 3 SER C C 3 174.700 174.700 174.763 -0.063 17767 8 1 1 . 1 1 3 3 SER CA C 3 60.000 60.000 58.970 1.030 17767 9 1 1 . 1 1 3 3 SER CB C 3 64.140 64.140 62.281 1.859 17767 10 1 1 . 1 1 3 3 SER H H 3 7.968 7.968 8.082 -0.114 17767 11 1 1 . 1 1 4 4 GLY N N 4 111.480 111.480 113.094 -1.614 17767 12 1 1 . 1 1 4 4 GLY C C 4 171.800 171.800 171.653 0.147 17767 13 1 1 . 1 1 4 4 GLY CA C 4 44.150 44.150 45.569 -1.419 17767 14 1 1 . 1 1 4 4 GLY H H 4 9.080 9.080 8.655 0.425 17767 15 1 1 . 1 1 5 5 THR N N 5 117.770 117.770 113.809 3.961 17767 16 1 1 . 1 1 5 5 THR HA H 5 4.980 4.980 4.998 -0.018 17767 17 1 1 . 1 1 5 5 THR C C 5 173.190 173.190 172.928 0.262 17767 18 1 1 . 1 1 5 5 THR CA C 5 62.930 62.930 60.647 2.283 17767 19 1 1 . 1 1 5 5 THR CB C 5 69.310 69.310 70.151 -0.841 17767 20 1 1 . 1 1 5 5 THR H H 5 8.270 8.270 7.629 0.641 17767 21 1 1 . 1 1 6 6 TRP N N 6 127.500 127.500 125.564 1.936 17767 22 1 1 . 1 1 6 6 TRP HA H 6 5.130 5.130 5.307 -0.177 17767 23 1 1 . 1 1 6 6 TRP CA C 6 55.300 55.300 55.620 -0.320 17767 24 1 1 . 1 1 6 6 TRP CB C 6 32.290 32.290 31.748 0.542 17767 25 1 1 . 1 1 6 6 TRP H H 6 9.560 9.560 8.859 0.701 17767 26 1 1 . 1 1 7 7 GLN HA H 7 4.970 4.970 4.910 0.060 17767 27 1 1 . 1 1 7 7 GLN C C 7 175.900 175.900 175.293 0.607 17767 28 1 1 . 1 1 7 7 GLN CA C 7 54.720 54.720 53.561 1.159 17767 29 1 1 . 1 1 7 7 GLN CB C 7 32.400 32.400 30.316 2.084 17767 30 1 1 . 1 1 8 8 VAL N N 8 131.400 131.400 128.394 3.006 17767 31 1 1 . 1 1 8 8 VAL HA H 8 4.450 4.450 4.154 0.296 17767 32 1 1 . 1 1 8 8 VAL CA C 8 63.500 63.500 63.573 -0.073 17767 33 1 1 . 1 1 8 8 VAL CB C 8 32.300 32.300 32.254 0.046 17767 34 1 1 . 1 1 8 8 VAL H H 8 8.270 8.270 8.861 -0.591 17767 35 1 1 . 1 1 9 9 TYR N N 9 123.300 123.300 120.454 2.846 17767 36 1 1 . 1 1 9 9 TYR HA H 9 5.140 5.140 4.851 0.289 17767 37 1 1 . 1 1 9 9 TYR C C 9 174.600 174.600 173.921 0.679 17767 38 1 1 . 1 1 9 9 TYR CA C 9 56.600 56.600 56.272 0.328 17767 39 1 1 . 1 1 9 9 TYR CB C 9 40.880 40.880 39.224 1.656 17767 40 1 1 . 1 1 9 9 TYR H H 9 9.570 9.570 8.847 0.723 17767 41 1 1 . 1 1 10 10 ALA N N 10 125.800 125.800 122.145 3.655 17767 42 1 1 . 1 1 10 10 ALA HA H 10 4.680 4.680 4.704 -0.024 17767 43 1 1 . 1 1 10 10 ALA C C 10 175.200 175.200 174.768 0.432 17767 44 1 1 . 1 1 10 10 ALA CA C 10 51.780 51.780 52.614 -0.834 17767 45 1 1 . 1 1 10 10 ALA CB C 10 22.070 22.070 21.666 0.404 17767 46 1 1 . 1 1 10 10 ALA H H 10 7.330 7.330 7.096 0.234 17767 47 1 1 . 1 1 11 11 GLN N N 11 118.300 118.300 120.986 -2.686 17767 48 1 1 . 1 1 11 11 GLN HA H 11 5.370 5.370 5.112 0.258 17767 49 1 1 . 1 1 11 11 GLN C C 11 174.700 174.700 175.379 -0.679 17767 50 1 1 . 1 1 11 11 GLN CA C 11 54.460 54.460 54.554 -0.094 17767 51 1 1 . 1 1 11 11 GLN CB C 11 32.870 32.870 31.232 1.638 17767 52 1 1 . 1 1 11 11 GLN H H 11 8.700 8.700 8.512 0.188 17767 53 1 1 . 1 1 12 12 GLU N N 12 123.800 123.800 125.630 -1.830 17767 54 1 1 . 1 1 12 12 GLU HA H 12 4.600 4.600 4.486 0.114 17767 55 1 1 . 1 1 12 12 GLU C C 12 175.700 175.700 176.355 -0.655 17767 56 1 1 . 1 1 12 12 GLU CA C 12 55.300 55.300 55.166 0.134 17767 57 1 1 . 1 1 12 12 GLU CB C 12 31.760 31.760 30.661 1.099 17767 58 1 1 . 1 1 12 12 GLU H H 12 9.130 9.130 9.142 -0.012 17767 59 1 1 . 1 1 13 13 ASN N N 13 117.550 117.550 119.232 -1.682 17767 60 1 1 . 1 1 13 13 ASN HA H 13 4.790 4.790 4.376 0.414 17767 61 1 1 . 1 1 13 13 ASN C C 13 175.600 175.600 176.006 -0.406 17767 62 1 1 . 1 1 13 13 ASN CA C 13 54.100 54.100 54.862 -0.762 17767 63 1 1 . 1 1 13 13 ASN CB C 13 37.100 37.100 36.654 0.446 17767 64 1 1 . 1 1 13 13 ASN H H 13 9.130 9.130 9.082 0.048 17767 65 1 1 . 1 1 14 14 TYR N N 14 118.280 118.280 120.305 -2.025 17767 66 1 1 . 1 1 14 14 TYR HA H 14 4.360 4.360 4.180 0.180 17767 67 1 1 . 1 1 14 14 TYR C C 14 176.500 176.500 176.750 -0.250 17767 68 1 1 . 1 1 14 14 TYR CA C 14 60.590 60.590 62.741 -2.151 17767 69 1 1 . 1 1 14 14 TYR CB C 14 39.450 39.450 38.688 0.762 17767 70 1 1 . 1 1 14 14 TYR H H 14 7.900 7.900 7.581 0.319 17767 71 1 1 . 1 1 15 15 GLU N N 15 118.600 118.600 116.632 1.968 17767 72 1 1 . 1 1 15 15 GLU HA H 15 3.550 3.550 3.943 -0.393 17767 73 1 1 . 1 1 15 15 GLU C C 15 178.500 178.500 178.692 -0.192 17767 74 1 1 . 1 1 15 15 GLU CA C 15 61.170 61.170 59.698 1.472 17767 75 1 1 . 1 1 15 15 GLU CB C 15 28.700 28.700 28.286 0.414 17767 76 1 1 . 1 1 15 15 GLU H H 15 8.960 8.960 9.133 -0.173 17767 77 1 1 . 1 1 16 16 GLU N N 16 118.800 118.800 118.370 0.430 17767 78 1 1 . 1 1 16 16 GLU HA H 16 3.880 3.880 4.223 -0.343 17767 79 1 1 . 1 1 16 16 GLU C C 16 178.600 178.600 178.473 0.127 17767 80 1 1 . 1 1 16 16 GLU CA C 16 60.300 60.300 58.208 2.092 17767 81 1 1 . 1 1 16 16 GLU CB C 16 28.600 28.600 29.183 -0.583 17767 82 1 1 . 1 1 16 16 GLU H H 16 9.090 9.090 8.556 0.534 17767 83 1 1 . 1 1 17 17 PHE N N 17 124.200 124.200 121.763 2.437 17767 84 1 1 . 1 1 17 17 PHE HA H 17 3.960 3.960 4.201 -0.241 17767 85 1 1 . 1 1 17 17 PHE C C 17 176.400 176.400 177.181 -0.781 17767 86 1 1 . 1 1 17 17 PHE CA C 17 62.350 62.350 59.603 2.747 17767 87 1 1 . 1 1 17 17 PHE CB C 17 40.380 40.380 38.779 1.601 17767 88 1 1 . 1 1 17 17 PHE H H 17 8.410 8.410 7.929 0.481 17767 89 1 1 . 1 1 18 18 LEU N N 18 116.400 116.400 117.768 -1.368 17767 90 1 1 . 1 1 18 18 LEU HA H 18 3.780 3.780 3.496 0.284 17767 91 1 1 . 1 1 18 18 LEU C C 18 178.800 178.800 178.625 0.175 17767 92 1 1 . 1 1 18 18 LEU CA C 18 58.240 58.240 57.748 0.492 17767 93 1 1 . 1 1 18 18 LEU CB C 18 41.220 41.220 41.113 0.107 17767 94 1 1 . 1 1 18 18 LEU H H 18 8.200 8.200 7.979 0.221 17767 95 1 1 . 1 1 19 19 LYS N N 19 116.590 116.590 115.440 1.150 17767 96 1 1 . 1 1 19 19 LYS HA H 19 4.040 4.040 4.077 -0.037 17767 97 1 1 . 1 1 19 19 LYS C C 19 179.800 179.800 177.947 1.853 17767 98 1 1 . 1 1 19 19 LYS CA C 19 58.820 58.820 58.263 0.557 17767 99 1 1 . 1 1 19 19 LYS CB C 19 32.150 32.150 32.024 0.126 17767 100 1 1 . 1 1 19 19 LYS H H 19 7.790 7.790 7.500 0.290 17767 101 1 1 . 1 1 20 20 ALA N N 20 126.110 126.110 120.339 5.771 17767 102 1 1 . 1 1 20 20 ALA HA H 20 4.160 4.160 4.313 -0.153 17767 103 1 1 . 1 1 20 20 ALA C C 20 178.600 178.600 178.055 0.545 17767 104 1 1 . 1 1 20 20 ALA CA C 20 55.300 55.300 53.374 1.926 17767 105 1 1 . 1 1 20 20 ALA CB C 20 17.700 17.700 19.164 -1.464 17767 106 1 1 . 1 1 20 20 ALA H H 20 7.990 7.990 7.378 0.612 17767 107 1 1 . 1 1 21 21 LEU N N 21 117.110 117.110 117.574 -0.464 17767 108 1 1 . 1 1 21 21 LEU HA H 21 3.688 3.688 4.359 -0.671 17767 109 1 1 . 1 1 21 21 LEU C C 21 176.100 176.100 175.961 0.139 17767 110 1 1 . 1 1 21 21 LEU CA C 21 55.400 55.400 53.702 1.698 17767 111 1 1 . 1 1 21 21 LEU CB C 21 42.700 42.700 41.575 1.125 17767 112 1 1 . 1 1 21 21 LEU H H 21 7.380 7.380 7.072 0.308 17767 113 1 1 . 1 1 22 22 ALA N N 22 118.800 118.800 118.918 -0.118 17767 114 1 1 . 1 1 22 22 ALA HA H 22 3.985 3.985 3.937 0.048 17767 115 1 1 . 1 1 22 22 ALA C C 22 177.000 177.000 176.761 0.239 17767 116 1 1 . 1 1 22 22 ALA CA C 22 52.370 52.370 52.530 -0.160 17767 117 1 1 . 1 1 22 22 ALA CB C 22 15.960 15.960 16.698 -0.738 17767 118 1 1 . 1 1 22 22 ALA H H 22 7.920 7.920 7.407 0.513 17767 119 1 1 . 1 1 23 23 LEU N N 23 118.470 118.470 119.272 -0.802 17767 120 1 1 . 1 1 23 23 LEU HA H 23 4.425 4.425 4.431 -0.006 17767 121 1 1 . 1 1 23 23 LEU C C 23 174.500 174.500 175.137 -0.637 17767 122 1 1 . 1 1 23 23 LEU CA C 23 54.130 54.130 52.400 1.730 17767 123 1 1 . 1 1 23 23 LEU CB C 23 41.220 41.220 42.058 -0.838 17767 124 1 1 . 1 1 23 23 LEU H H 23 6.950 6.950 7.343 -0.393 17767 125 1 1 . 1 1 24 24 PRO HA H 24 4.475 4.475 4.494 -0.019 17767 126 1 1 . 1 1 24 24 PRO C C 24 177.500 177.500 177.427 0.073 17767 127 1 1 . 1 1 24 24 PRO CA C 24 62.940 62.940 62.534 0.406 17767 128 1 1 . 1 1 24 24 PRO CB C 24 32.600 32.600 32.594 0.006 17767 129 1 1 . 1 1 25 25 GLU N N 25 122.500 122.500 123.693 -1.193 17767 130 1 1 . 1 1 25 25 GLU HA H 25 3.860 3.860 3.860 0.000 17767 131 1 1 . 1 1 25 25 GLU C C 25 177.900 177.900 177.891 0.009 17767 132 1 1 . 1 1 25 25 GLU CA C 25 60.100 60.100 59.613 0.487 17767 133 1 1 . 1 1 25 25 GLU CB C 25 29.690 29.690 29.485 0.205 17767 134 1 1 . 1 1 25 25 GLU H H 25 8.840 8.840 8.925 -0.085 17767 135 1 1 . 1 1 26 26 ASP N N 26 117.110 117.110 118.589 -1.479 17767 136 1 1 . 1 1 26 26 ASP HA H 26 4.360 4.360 4.420 -0.060 17767 137 1 1 . 1 1 26 26 ASP C C 26 177.900 177.900 178.720 -0.820 17767 138 1 1 . 1 1 26 26 ASP CA C 26 57.080 57.080 56.727 0.353 17767 139 1 1 . 1 1 26 26 ASP CB C 26 40.040 40.040 40.428 -0.388 17767 140 1 1 . 1 1 26 26 ASP H H 26 8.920 8.920 8.254 0.666 17767 141 1 1 . 1 1 27 27 LEU N N 27 121.990 121.990 121.212 0.778 17767 142 1 1 . 1 1 27 27 LEU HA H 27 4.270 4.270 4.133 0.137 17767 143 1 1 . 1 1 27 27 LEU C C 27 178.070 178.070 178.449 -0.379 17767 144 1 1 . 1 1 27 27 LEU CA C 27 57.650 57.650 57.157 0.493 17767 145 1 1 . 1 1 27 27 LEU CB C 27 42.230 42.230 42.240 -0.010 17767 146 1 1 . 1 1 27 27 LEU H H 27 7.220 7.220 7.484 -0.264 17767 147 1 1 . 1 1 28 28 ILE N N 28 120.350 120.350 117.938 2.412 17767 148 1 1 . 1 1 28 28 ILE HA H 28 3.317 3.317 3.668 -0.351 17767 149 1 1 . 1 1 28 28 ILE C C 28 177.400 177.400 177.749 -0.349 17767 150 1 1 . 1 1 28 28 ILE CA C 28 67.040 67.040 64.588 2.452 17767 151 1 1 . 1 1 28 28 ILE CB C 28 37.110 37.110 37.351 -0.241 17767 152 1 1 . 1 1 28 28 ILE H H 28 7.900 7.900 7.745 0.155 17767 153 1 1 . 1 1 29 29 LYS N N 29 117.110 117.110 118.196 -1.086 17767 154 1 1 . 1 1 29 29 LYS HA H 29 3.947 3.947 4.223 -0.276 17767 155 1 1 . 1 1 29 29 LYS C C 29 178.900 178.900 177.123 1.777 17767 156 1 1 . 1 1 29 29 LYS CA C 29 60.000 60.000 58.264 1.736 17767 157 1 1 . 1 1 29 29 LYS CB C 29 32.390 32.390 32.694 -0.304 17767 158 1 1 . 1 1 29 29 LYS H H 29 7.850 7.850 7.862 -0.012 17767 159 1 1 . 1 1 30 30 MET N N 30 117.110 117.110 117.825 -0.715 17767 160 1 1 . 1 1 30 30 MET HA H 30 4.320 4.320 4.347 -0.027 17767 161 1 1 . 1 1 30 30 MET C C 30 177.500 177.500 178.056 -0.556 17767 162 1 1 . 1 1 30 30 MET CA C 30 57.650 57.650 58.229 -0.579 17767 163 1 1 . 1 1 30 30 MET CB C 30 32.970 32.970 33.073 -0.103 17767 164 1 1 . 1 1 30 30 MET H H 30 7.450 7.450 7.393 0.057 17767 165 1 1 . 1 1 31 31 ALA N N 31 120.480 120.480 121.718 -1.238 17767 166 1 1 . 1 1 31 31 ALA HA H 31 4.270 4.270 4.092 0.178 17767 167 1 1 . 1 1 31 31 ALA CA C 31 53.545 53.545 55.434 -1.889 17767 168 1 1 . 1 1 31 31 ALA CB C 31 19.290 19.290 18.409 0.881 17767 169 1 1 . 1 1 31 31 ALA H H 31 8.420 8.420 8.858 -0.438 17767 170 1 1 . 1 1 32 32 ARG N N 32 122.170 122.170 115.573 6.597 17767 171 1 1 . 1 1 32 32 ARG HA H 32 4.109 4.109 4.022 0.087 17767 172 1 1 . 1 1 32 32 ARG C C 32 176.500 176.500 176.536 -0.036 17767 173 1 1 . 1 1 32 32 ARG CA C 32 61.170 61.170 58.331 2.839 17767 174 1 1 . 1 1 32 32 ARG CB C 32 30.600 30.600 29.856 0.744 17767 175 1 1 . 1 1 32 32 ARG H H 32 7.770 7.770 7.859 -0.089 17767 176 1 1 . 1 1 33 33 ASP N N 33 116.550 116.550 116.796 -0.246 17767 177 1 1 . 1 1 33 33 ASP HA H 33 4.920 4.920 4.783 0.137 17767 178 1 1 . 1 1 33 33 ASP C C 33 175.900 175.900 175.442 0.458 17767 179 1 1 . 1 1 33 33 ASP CA C 33 54.130 54.130 54.302 -0.172 17767 180 1 1 . 1 1 33 33 ASP CB C 33 41.760 41.760 43.055 -1.295 17767 181 1 1 . 1 1 33 33 ASP H H 33 8.330 8.330 8.060 0.270 17767 182 1 1 . 1 1 34 34 ILE N N 34 120.060 120.060 122.673 -2.613 17767 183 1 1 . 1 1 34 34 ILE HA H 34 4.120 4.120 4.100 0.020 17767 184 1 1 . 1 1 34 34 ILE C C 34 176.100 176.100 174.698 1.402 17767 185 1 1 . 1 1 34 34 ILE CA C 34 61.170 61.170 61.383 -0.213 17767 186 1 1 . 1 1 34 34 ILE CB C 34 37.860 37.860 37.422 0.438 17767 187 1 1 . 1 1 34 34 ILE H H 34 7.240 7.240 7.292 -0.052 17767 188 1 1 . 1 1 35 35 LYS N N 35 131.170 131.170 127.724 3.446 17767 189 1 1 . 1 1 35 35 LYS HA H 35 4.700 4.700 4.798 -0.098 17767 190 1 1 . 1 1 35 35 LYS C C 35 173.700 173.700 174.526 -0.826 17767 191 1 1 . 1 1 35 35 LYS CA C 35 52.970 52.970 54.365 -1.395 17767 192 1 1 . 1 1 35 35 LYS CB C 35 32.750 32.750 32.654 0.097 17767 193 1 1 . 1 1 35 35 LYS H H 35 8.980 8.980 8.293 0.686 17767 194 1 1 . 1 1 36 36 PRO HA H 36 4.510 4.510 4.494 0.016 17767 195 1 1 . 1 1 36 36 PRO CA C 36 63.523 63.523 62.113 1.410 17767 196 1 1 . 1 1 36 36 PRO CB C 36 32.840 32.840 33.597 -0.757 17767 197 1 1 . 1 1 37 37 ILE HA H 37 4.920 4.920 4.194 0.726 17767 198 1 1 . 1 1 37 37 ILE C C 37 175.500 175.500 175.237 0.263 17767 199 1 1 . 1 1 37 37 ILE CA C 37 60.588 60.588 59.941 0.647 17767 200 1 1 . 1 1 37 37 ILE CB C 37 40.630 40.630 39.385 1.245 17767 201 1 1 . 1 1 38 38 VAL N N 38 129.000 129.000 129.451 -0.451 17767 202 1 1 . 1 1 38 38 VAL HA H 38 5.120 5.120 4.278 0.842 17767 203 1 1 . 1 1 38 38 VAL C C 38 175.100 175.100 175.141 -0.041 17767 204 1 1 . 1 1 38 38 VAL CA C 38 61.176 61.176 60.997 0.179 17767 205 1 1 . 1 1 38 38 VAL CB C 38 34.850 34.850 31.362 3.488 17767 206 1 1 . 1 1 38 38 VAL H H 38 9.540 9.540 8.992 0.548 17767 207 1 1 . 1 1 39 39 GLU N N 39 128.350 128.350 129.268 -0.918 17767 208 1 1 . 1 1 39 39 GLU HA H 39 5.440 5.440 4.608 0.832 17767 209 1 1 . 1 1 39 39 GLU C C 39 176.000 176.000 174.720 1.280 17767 210 1 1 . 1 1 39 39 GLU CA C 39 54.720 54.720 56.546 -1.826 17767 211 1 1 . 1 1 39 39 GLU CB C 39 32.410 32.410 30.903 1.507 17767 212 1 1 . 1 1 39 39 GLU H H 39 9.590 9.590 8.285 1.305 17767 213 1 1 . 1 1 40 40 ILE N N 40 126.110 126.110 126.802 -0.692 17767 214 1 1 . 1 1 40 40 ILE HA H 40 5.050 5.050 5.111 -0.061 17767 215 1 1 . 1 1 40 40 ILE C C 40 175.800 175.800 173.189 2.611 17767 216 1 1 . 1 1 40 40 ILE CA C 40 61.330 61.330 58.692 2.638 17767 217 1 1 . 1 1 40 40 ILE CB C 40 40.160 40.160 41.925 -1.764 17767 218 1 1 . 1 1 40 40 ILE H H 40 9.630 9.630 8.655 0.975 17767 219 1 1 . 1 1 41 41 GLN N N 41 128.360 128.360 127.020 1.340 17767 220 1 1 . 1 1 41 41 GLN HA H 41 4.720 4.720 4.856 -0.136 17767 221 1 1 . 1 1 41 41 GLN C C 41 173.900 173.900 173.359 0.541 17767 222 1 1 . 1 1 41 41 GLN CA C 41 54.940 54.940 53.919 1.021 17767 223 1 1 . 1 1 41 41 GLN CB C 41 31.820 31.820 32.123 -0.303 17767 224 1 1 . 1 1 41 41 GLN H H 41 9.270 9.270 8.908 0.362 17767 225 1 1 . 1 1 42 42 GLN N N 42 126.110 126.110 118.668 7.442 17767 226 1 1 . 1 1 42 42 GLN HA H 42 4.380 4.380 4.925 -0.545 17767 227 1 1 . 1 1 42 42 GLN C C 42 174.700 174.700 174.813 -0.113 17767 228 1 1 . 1 1 42 42 GLN CA C 42 54.150 54.150 53.778 0.372 17767 229 1 1 . 1 1 42 42 GLN CB C 42 30.000 30.000 32.002 -2.002 17767 230 1 1 . 1 1 42 42 GLN H H 42 8.250 8.250 8.286 -0.036 17767 231 1 1 . 1 1 43 43 LYS N N 43 130.610 130.610 119.759 10.851 17767 232 1 1 . 1 1 43 43 LYS HA H 43 4.460 4.460 4.381 0.079 17767 233 1 1 . 1 1 43 43 LYS C C 43 176.030 176.030 176.025 0.005 17767 234 1 1 . 1 1 43 43 LYS CA C 43 55.306 55.306 56.256 -0.950 17767 235 1 1 . 1 1 43 43 LYS CB C 43 33.270 33.270 33.898 -0.628 17767 236 1 1 . 1 1 43 43 LYS H H 43 8.820 8.820 8.429 0.391 17767 237 1 1 . 1 1 44 44 GLY N N 44 117.110 117.110 116.789 0.321 17767 238 1 1 . 1 1 44 44 GLY C C 44 174.300 174.300 174.345 -0.045 17767 239 1 1 . 1 1 44 44 GLY CA C 44 47.480 47.480 46.383 1.097 17767 240 1 1 . 1 1 44 44 GLY H H 44 8.940 8.940 8.487 0.453 17767 241 1 1 . 1 1 45 45 ASP N N 45 127.799 127.799 123.930 3.869 17767 242 1 1 . 1 1 45 45 ASP HA H 45 4.870 4.870 5.052 -0.182 17767 243 1 1 . 1 1 45 45 ASP C C 45 174.700 174.700 174.635 0.065 17767 244 1 1 . 1 1 45 45 ASP CA C 45 54.719 54.719 54.396 0.323 17767 245 1 1 . 1 1 45 45 ASP CB C 45 41.270 41.270 43.673 -2.403 17767 246 1 1 . 1 1 45 45 ASP H H 45 8.870 8.870 8.330 0.540 17767 247 1 1 . 1 1 46 46 ASP N N 46 120.480 120.480 122.400 -1.920 17767 248 1 1 . 1 1 46 46 ASP HA H 46 5.230 5.230 5.480 -0.250 17767 249 1 1 . 1 1 46 46 ASP C C 46 175.070 175.070 175.035 0.035 17767 250 1 1 . 1 1 46 46 ASP CA C 46 54.132 54.132 55.048 -0.916 17767 251 1 1 . 1 1 46 46 ASP CB C 46 41.570 41.570 41.794 -0.223 17767 252 1 1 . 1 1 46 46 ASP H H 46 8.060 8.060 7.829 0.231 17767 253 1 1 . 1 1 47 47 PHE N N 47 122.730 122.730 122.537 0.193 17767 254 1 1 . 1 1 47 47 PHE HA H 47 5.090 5.090 4.810 0.280 17767 255 1 1 . 1 1 47 47 PHE C C 47 176.400 176.400 174.795 1.605 17767 256 1 1 . 1 1 47 47 PHE CA C 47 56.420 56.420 55.369 1.051 17767 257 1 1 . 1 1 47 47 PHE CB C 47 44.150 44.150 41.997 2.153 17767 258 1 1 . 1 1 47 47 PHE H H 47 9.296 9.296 9.183 0.113 17767 259 1 1 . 1 1 48 48 VAL N N 48 121.690 121.690 121.637 0.053 17767 260 1 1 . 1 1 48 48 VAL HA H 48 4.500 4.500 4.393 0.107 17767 261 1 1 . 1 1 48 48 VAL C C 48 175.700 175.700 174.533 1.167 17767 262 1 1 . 1 1 48 48 VAL CA C 48 62.930 62.930 61.173 1.757 17767 263 1 1 . 1 1 48 48 VAL CB C 48 34.670 34.670 32.760 1.910 17767 264 1 1 . 1 1 48 48 VAL H H 48 8.520 8.520 9.157 -0.637 17767 265 1 1 . 1 1 49 49 VAL N N 49 127.200 127.200 129.134 -1.934 17767 266 1 1 . 1 1 49 49 VAL HA H 49 5.250 5.250 4.539 0.711 17767 267 1 1 . 1 1 49 49 VAL C C 49 175.700 175.700 175.385 0.315 17767 268 1 1 . 1 1 49 49 VAL CA C 49 61.180 61.180 61.960 -0.780 17767 269 1 1 . 1 1 49 49 VAL CB C 49 34.660 34.660 32.895 1.765 17767 270 1 1 . 1 1 49 49 VAL H H 49 9.330 9.330 9.334 -0.004 17767 271 1 1 . 1 1 50 50 THR N N 50 128.500 128.500 126.671 1.829 17767 272 1 1 . 1 1 50 50 THR HA H 50 5.430 5.430 4.881 0.549 17767 273 1 1 . 1 1 50 50 THR C C 50 173.810 173.810 173.499 0.311 17767 274 1 1 . 1 1 50 50 THR CA C 50 61.530 61.530 61.808 -0.278 17767 275 1 1 . 1 1 50 50 THR CB C 50 70.760 70.760 69.306 1.454 17767 276 1 1 . 1 1 50 50 THR H H 50 9.730 9.730 9.458 0.272 17767 277 1 1 . 1 1 51 51 SER N N 51 122.730 122.730 123.874 -1.144 17767 278 1 1 . 1 1 51 51 SER HA H 51 5.430 5.430 4.883 0.547 17767 279 1 1 . 1 1 51 51 SER C C 51 173.800 173.800 173.858 -0.058 17767 280 1 1 . 1 1 51 51 SER CA C 51 57.060 57.060 56.626 0.434 17767 281 1 1 . 1 1 51 51 SER CB C 51 64.550 64.550 63.659 0.891 17767 282 1 1 . 1 1 51 51 SER H H 51 9.190 9.190 8.868 0.322 17767 283 1 1 . 1 1 52 52 LYS N N 52 125.550 125.550 128.262 -2.712 17767 284 1 1 . 1 1 52 52 LYS HA H 52 5.310 5.310 4.436 0.874 17767 285 1 1 . 1 1 52 52 LYS C C 52 175.900 175.900 176.132 -0.232 17767 286 1 1 . 1 1 52 52 LYS CA C 52 56.120 56.120 56.226 -0.106 17767 287 1 1 . 1 1 52 52 LYS CB C 52 36.130 36.130 33.419 2.711 17767 288 1 1 . 1 1 52 52 LYS H H 52 9.490 9.490 8.691 0.799 17767 289 1 1 . 1 1 53 53 THR N N 53 115.980 115.980 115.021 0.959 17767 290 1 1 . 1 1 53 53 THR HA H 53 5.024 5.024 4.754 0.270 17767 291 1 1 . 1 1 53 53 THR C C 53 173.400 173.400 173.392 0.008 17767 292 1 1 . 1 1 53 53 THR CA C 53 59.140 59.140 58.094 1.046 17767 293 1 1 . 1 1 53 53 THR CB C 53 69.300 69.300 70.345 -1.045 17767 294 1 1 . 1 1 53 53 THR H H 53 8.760 8.760 8.000 0.760 17767 295 1 1 . 1 1 54 54 PRO HA H 54 4.350 4.350 4.346 0.004 17767 296 1 1 . 1 1 54 54 PRO C C 54 177.200 177.200 176.877 0.323 17767 297 1 1 . 1 1 54 54 PRO CA C 54 66.458 66.458 64.606 1.852 17767 298 1 1 . 1 1 54 54 PRO CB C 54 32.400 32.400 32.070 0.330 17767 299 1 1 . 1 1 55 55 ARG N N 55 111.480 111.480 116.448 -4.968 17767 300 1 1 . 1 1 55 55 ARG HA H 55 4.510 4.510 4.545 -0.035 17767 301 1 1 . 1 1 55 55 ARG C C 55 175.800 175.800 176.240 -0.440 17767 302 1 1 . 1 1 55 55 ARG CA C 55 55.893 55.893 56.391 -0.498 17767 303 1 1 . 1 1 55 55 ARG CB C 55 32.520 32.520 32.534 -0.014 17767 304 1 1 . 1 1 55 55 ARG H H 55 8.010 8.010 7.659 0.351 17767 305 1 1 . 1 1 56 56 GLN N N 56 118.230 118.230 119.153 -0.923 17767 306 1 1 . 1 1 56 56 GLN HA H 56 4.830 4.830 4.509 0.321 17767 307 1 1 . 1 1 56 56 GLN C C 56 174.200 174.200 174.462 -0.262 17767 308 1 1 . 1 1 56 56 GLN CA C 56 55.610 55.610 55.204 0.406 17767 309 1 1 . 1 1 56 56 GLN CB C 56 32.880 32.880 31.824 1.056 17767 310 1 1 . 1 1 56 56 GLN H H 56 7.530 7.530 8.110 -0.580 17767 311 1 1 . 1 1 57 57 THR N N 57 120.480 120.480 122.647 -2.167 17767 312 1 1 . 1 1 57 57 THR HA H 57 5.330 5.330 4.413 0.917 17767 313 1 1 . 1 1 57 57 THR C C 57 174.000 174.000 174.256 -0.256 17767 314 1 1 . 1 1 57 57 THR CA C 57 61.760 61.760 64.432 -2.672 17767 315 1 1 . 1 1 57 57 THR CB C 57 71.500 71.500 69.240 2.260 17767 316 1 1 . 1 1 57 57 THR H H 57 8.610 8.610 8.589 0.021 17767 317 1 1 . 1 1 58 58 VAL N N 58 125.200 125.200 126.781 -1.581 17767 318 1 1 . 1 1 58 58 VAL HA H 58 4.540 4.540 4.462 0.078 17767 319 1 1 . 1 1 58 58 VAL C C 58 174.400 174.400 174.015 0.385 17767 320 1 1 . 1 1 58 58 VAL CA C 58 61.170 61.170 59.830 1.340 17767 321 1 1 . 1 1 58 58 VAL CB C 58 35.560 35.560 35.664 -0.104 17767 322 1 1 . 1 1 58 58 VAL H H 58 8.830 8.830 8.835 -0.005 17767 323 1 1 . 1 1 59 59 THR N N 59 125.500 125.500 121.592 3.908 17767 324 1 1 . 1 1 59 59 THR HA H 59 5.260 5.260 5.123 0.137 17767 325 1 1 . 1 1 59 59 THR C C 59 173.400 173.400 173.508 -0.108 17767 326 1 1 . 1 1 59 59 THR CA C 59 61.980 61.980 61.369 0.611 17767 327 1 1 . 1 1 59 59 THR CB C 59 71.150 71.150 70.594 0.556 17767 328 1 1 . 1 1 59 59 THR H H 59 8.870 8.870 8.278 0.592 17767 329 1 1 . 1 1 60 60 ASN N N 60 124.700 124.700 125.738 -1.038 17767 330 1 1 . 1 1 60 60 ASN HA H 60 5.270 5.270 5.031 0.239 17767 331 1 1 . 1 1 60 60 ASN C C 60 173.300 173.300 173.637 -0.337 17767 332 1 1 . 1 1 60 60 ASN CA C 60 53.000 53.000 52.833 0.167 17767 333 1 1 . 1 1 60 60 ASN CB C 60 44.700 44.700 42.064 2.636 17767 334 1 1 . 1 1 60 60 ASN H H 60 9.180 9.180 9.210 -0.030 17767 335 1 1 . 1 1 61 61 SER N N 61 115.980 115.980 119.494 -3.514 17767 336 1 1 . 1 1 61 61 SER HA H 61 5.430 5.430 5.379 0.051 17767 337 1 1 . 1 1 61 61 SER C C 61 173.300 173.300 173.217 0.083 17767 338 1 1 . 1 1 61 61 SER CA C 61 57.060 57.060 57.234 -0.174 17767 339 1 1 . 1 1 61 61 SER CB C 61 65.590 65.590 65.840 -0.250 17767 340 1 1 . 1 1 61 61 SER H H 61 8.840 8.840 8.685 0.155 17767 341 1 1 . 1 1 62 62 PHE N N 62 117.670 117.670 117.800 -0.130 17767 342 1 1 . 1 1 62 62 PHE HA H 62 5.020 5.020 5.040 -0.020 17767 343 1 1 . 1 1 62 62 PHE C C 62 173.100 173.100 173.633 -0.533 17767 344 1 1 . 1 1 62 62 PHE CA C 62 56.590 56.590 56.044 0.546 17767 345 1 1 . 1 1 62 62 PHE CB C 62 40.030 40.030 41.212 -1.182 17767 346 1 1 . 1 1 62 62 PHE H H 62 8.235 8.235 8.562 -0.327 17767 347 1 1 . 1 1 63 63 THR N N 63 119.920 119.920 116.426 3.494 17767 348 1 1 . 1 1 63 63 THR HA H 63 5.500 5.500 5.086 0.414 17767 349 1 1 . 1 1 63 63 THR C C 63 175.600 175.600 174.474 1.126 17767 350 1 1 . 1 1 63 63 THR CA C 63 61.170 61.170 61.171 -0.001 17767 351 1 1 . 1 1 63 63 THR CB C 63 72.320 72.320 70.677 1.643 17767 352 1 1 . 1 1 63 63 THR H H 63 9.650 9.650 8.678 0.972 17767 353 1 1 . 1 1 64 64 LEU N N 64 126.300 126.300 127.791 -1.491 17767 354 1 1 . 1 1 64 64 LEU HA H 64 4.430 4.430 3.845 0.585 17767 355 1 1 . 1 1 64 64 LEU C C 64 178.000 178.000 178.386 -0.386 17767 356 1 1 . 1 1 64 64 LEU CA C 64 56.100 56.100 56.260 -0.160 17767 357 1 1 . 1 1 64 64 LEU CB C 64 41.330 41.330 40.879 0.451 17767 358 1 1 . 1 1 64 64 LEU H H 64 9.280 9.280 9.053 0.227 17767 359 1 1 . 1 1 65 65 GLY N N 65 107.520 107.520 112.501 -4.981 17767 360 1 1 . 1 1 65 65 GLY C C 65 173.800 173.800 173.328 0.472 17767 361 1 1 . 1 1 65 65 GLY CA C 65 45.780 45.780 44.911 0.869 17767 362 1 1 . 1 1 65 65 GLY H H 65 9.110 9.110 9.152 -0.042 17767 363 1 1 . 1 1 66 66 LYS N N 66 121.600 121.600 120.370 1.230 17767 364 1 1 . 1 1 66 66 LYS HA H 66 4.780 4.780 4.594 0.186 17767 365 1 1 . 1 1 66 66 LYS C C 66 175.600 175.600 175.169 0.431 17767 366 1 1 . 1 1 66 66 LYS CA C 66 54.100 54.100 54.667 -0.567 17767 367 1 1 . 1 1 66 66 LYS CB C 66 34.620 34.620 35.869 -1.249 17767 368 1 1 . 1 1 66 66 LYS H H 66 7.910 7.910 7.799 0.111 17767 369 1 1 . 1 1 67 67 GLU N N 67 129.400 129.400 122.748 6.652 17767 370 1 1 . 1 1 67 67 GLU HA H 67 4.070 4.070 4.170 -0.100 17767 371 1 1 . 1 1 67 67 GLU C C 67 175.030 175.030 175.272 -0.242 17767 372 1 1 . 1 1 67 67 GLU CA C 67 59.220 59.220 56.414 2.806 17767 373 1 1 . 1 1 67 67 GLU CB C 67 30.400 30.400 30.228 0.172 17767 374 1 1 . 1 1 67 67 GLU H H 67 8.940 8.940 8.709 0.231 17767 375 1 1 . 1 1 68 68 ALA N N 68 130.940 130.940 129.154 1.786 17767 376 1 1 . 1 1 68 68 ALA HA H 68 4.900 4.900 4.645 0.255 17767 377 1 1 . 1 1 68 68 ALA C C 68 176.000 176.000 175.450 0.550 17767 378 1 1 . 1 1 68 68 ALA CA C 68 51.000 51.000 50.875 0.125 17767 379 1 1 . 1 1 68 68 ALA CB C 68 22.440 22.440 22.127 0.313 17767 380 1 1 . 1 1 68 68 ALA H H 68 8.660 8.660 7.862 0.798 17767 381 1 1 . 1 1 69 69 ASP N N 69 120.500 120.500 123.527 -3.027 17767 382 1 1 . 1 1 69 69 ASP HA H 69 5.000 5.000 4.762 0.238 17767 383 1 1 . 1 1 69 69 ASP C C 69 174.400 174.400 176.001 -1.601 17767 384 1 1 . 1 1 69 69 ASP CA C 69 54.670 54.670 53.977 0.693 17767 385 1 1 . 1 1 69 69 ASP CB C 69 41.930 41.930 40.953 0.977 17767 386 1 1 . 1 1 69 69 ASP H H 69 8.330 8.330 8.657 -0.327 17767 387 1 1 . 1 1 70 70 ILE N N 70 125.540 125.540 122.424 3.116 17767 388 1 1 . 1 1 70 70 ILE HA H 70 4.510 4.510 4.693 -0.183 17767 389 1 1 . 1 1 70 70 ILE C C 70 175.300 175.300 174.310 0.990 17767 390 1 1 . 1 1 70 70 ILE CA C 70 57.690 57.690 59.166 -1.476 17767 391 1 1 . 1 1 70 70 ILE CB C 70 40.040 40.040 41.216 -1.176 17767 392 1 1 . 1 1 70 70 ILE H H 70 8.850 8.850 8.106 0.744 17767 393 1 1 . 1 1 71 71 THR N N 71 123.860 123.860 115.711 8.149 17767 394 1 1 . 1 1 71 71 THR HA H 71 5.240 5.240 4.941 0.298 17767 395 1 1 . 1 1 71 71 THR C C 71 174.600 174.600 174.230 0.370 17767 396 1 1 . 1 1 71 71 THR CA C 71 61.610 61.610 61.554 0.056 17767 397 1 1 . 1 1 71 71 THR CB C 71 70.370 70.370 71.048 -0.678 17767 398 1 1 . 1 1 71 71 THR H H 71 9.460 9.460 8.402 1.058 17767 399 1 1 . 1 1 72 72 THR N N 72 115.980 115.980 118.957 -2.977 17767 400 1 1 . 1 1 72 72 THR HA H 72 4.550 4.550 4.495 0.055 17767 401 1 1 . 1 1 72 72 THR C C 72 177.300 177.300 177.125 0.175 17767 402 1 1 . 1 1 72 72 THR CA C 72 60.550 60.550 60.469 0.081 17767 403 1 1 . 1 1 72 72 THR CB C 72 70.710 70.710 70.207 0.503 17767 404 1 1 . 1 1 72 72 THR H H 72 8.700 8.700 8.445 0.255 17767 405 1 1 . 1 1 73 73 MET N N 73 119.830 119.830 122.750 -2.920 17767 406 1 1 . 1 1 73 73 MET HA H 73 4.110 4.110 4.493 -0.383 17767 407 1 1 . 1 1 73 73 MET C C 73 176.200 176.200 176.105 0.095 17767 408 1 1 . 1 1 73 73 MET CA C 73 58.900 58.900 57.291 1.609 17767 409 1 1 . 1 1 73 73 MET CB C 73 34.760 34.760 31.195 3.565 17767 410 1 1 . 1 1 73 73 MET H H 73 10.360 10.360 8.635 1.725 17767 411 1 1 . 1 1 74 74 ASP N N 74 112.220 112.220 120.256 -8.036 17767 412 1 1 . 1 1 74 74 ASP HA H 74 4.800 4.800 4.583 0.217 17767 413 1 1 . 1 1 74 74 ASP C C 74 175.600 175.600 177.093 -1.493 17767 414 1 1 . 1 1 74 74 ASP CA C 74 52.630 52.630 54.187 -1.557 17767 415 1 1 . 1 1 74 74 ASP CB C 74 38.870 38.870 41.448 -2.578 17767 416 1 1 . 1 1 74 74 ASP H H 74 8.680 8.680 7.752 0.928 17767 417 1 1 . 1 1 75 75 GLY N N 75 108.040 108.040 106.746 1.294 17767 418 1 1 . 1 1 75 75 GLY C C 75 175.000 175.000 173.867 1.133 17767 419 1 1 . 1 1 75 75 GLY CA C 75 46.400 46.400 45.054 1.346 17767 420 1 1 . 1 1 75 75 GLY H H 75 7.600 7.600 7.576 0.024 17767 421 1 1 . 1 1 76 76 LYS N N 76 120.500 120.500 120.586 -0.086 17767 422 1 1 . 1 1 76 76 LYS HA H 76 4.440 4.440 4.464 -0.024 17767 423 1 1 . 1 1 76 76 LYS C C 76 175.400 175.400 175.253 0.147 17767 424 1 1 . 1 1 76 76 LYS CA C 76 55.240 55.240 54.854 0.386 17767 425 1 1 . 1 1 76 76 LYS CB C 76 33.500 33.500 33.744 -0.244 17767 426 1 1 . 1 1 76 76 LYS H H 76 8.260 8.260 7.730 0.530 17767 427 1 1 . 1 1 77 77 LYS N N 77 119.300 119.300 125.709 -6.409 17767 428 1 1 . 1 1 77 77 LYS HA H 77 5.370 5.370 4.547 0.823 17767 429 1 1 . 1 1 77 77 LYS C C 77 176.100 176.100 175.694 0.406 17767 430 1 1 . 1 1 77 77 LYS CA C 77 54.360 54.360 55.987 -1.627 17767 431 1 1 . 1 1 77 77 LYS CB C 77 32.840 32.840 32.623 0.217 17767 432 1 1 . 1 1 77 77 LYS H H 77 8.130 8.130 8.522 -0.392 17767 433 1 1 . 1 1 78 78 LEU N N 78 123.860 123.860 126.558 -2.698 17767 434 1 1 . 1 1 78 78 LEU HA H 78 4.910 4.910 4.731 0.179 17767 435 1 1 . 1 1 78 78 LEU C C 78 175.600 175.600 174.726 0.874 17767 436 1 1 . 1 1 78 78 LEU CA C 78 53.170 53.170 53.670 -0.500 17767 437 1 1 . 1 1 78 78 LEU CB C 78 45.780 45.780 46.355 -0.575 17767 438 1 1 . 1 1 78 78 LEU H H 78 9.028 9.028 8.288 0.740 17767 439 1 1 . 1 1 79 79 LYS N N 79 119.280 119.280 121.266 -1.986 17767 440 1 1 . 1 1 79 79 LYS HA H 79 5.615 5.615 5.227 0.388 17767 441 1 1 . 1 1 79 79 LYS C C 79 176.600 176.600 175.929 0.671 17767 442 1 1 . 1 1 79 79 LYS CA C 79 55.000 55.000 55.134 -0.134 17767 443 1 1 . 1 1 79 79 LYS CB C 79 36.850 36.850 32.922 3.928 17767 444 1 1 . 1 1 79 79 LYS H H 79 8.240 8.240 8.411 -0.171 17767 445 1 1 . 1 1 80 80 CYS N N 80 115.980 115.980 125.557 -9.577 17767 446 1 1 . 1 1 80 80 CYS HA H 80 4.700 4.700 4.722 -0.022 17767 447 1 1 . 1 1 80 80 CYS C C 80 173.500 173.500 174.340 -0.840 17767 448 1 1 . 1 1 80 80 CYS CA C 80 56.500 56.500 58.205 -1.705 17767 449 1 1 . 1 1 80 80 CYS CB C 80 45.700 45.700 28.080 17.620 17767 450 1 1 . 1 1 80 80 CYS H H 80 8.306 8.306 8.601 -0.295 17767 451 1 1 . 1 1 81 81 THR N N 81 122.000 122.000 127.020 -5.020 17767 452 1 1 . 1 1 81 81 THR HA H 81 4.303 4.303 4.494 -0.191 17767 453 1 1 . 1 1 81 81 THR C C 81 173.100 173.100 173.916 -0.816 17767 454 1 1 . 1 1 81 81 THR CA C 81 62.460 62.460 62.295 0.165 17767 455 1 1 . 1 1 81 81 THR CB C 81 68.200 68.200 68.611 -0.411 17767 456 1 1 . 1 1 81 81 THR H H 81 8.840 8.840 8.658 0.182 17767 457 1 1 . 1 1 82 82 VAL N N 82 132.160 132.160 126.620 5.540 17767 458 1 1 . 1 1 82 82 VAL HA H 82 4.449 4.449 4.859 -0.410 17767 459 1 1 . 1 1 82 82 VAL C C 82 175.100 175.100 175.186 -0.086 17767 460 1 1 . 1 1 82 82 VAL CA C 82 61.760 61.760 61.063 0.697 17767 461 1 1 . 1 1 82 82 VAL CB C 82 31.200 31.200 32.541 -1.341 17767 462 1 1 . 1 1 82 82 VAL H H 82 9.520 9.520 7.800 1.720 17767 463 1 1 . 1 1 83 83 HIS N N 83 123.860 123.860 120.565 3.295 17767 464 1 1 . 1 1 83 83 HIS HA H 83 5.009 5.009 4.782 0.227 17767 465 1 1 . 1 1 83 83 HIS C C 83 173.500 173.500 173.264 0.236 17767 466 1 1 . 1 1 83 83 HIS CA C 83 55.300 55.300 54.136 1.164 17767 467 1 1 . 1 1 83 83 HIS CB C 83 33.400 33.400 32.607 0.793 17767 468 1 1 . 1 1 83 83 HIS H H 83 8.740 8.740 8.418 0.322 17767 469 1 1 . 1 1 84 84 LEU N N 84 121.600 121.600 124.784 -3.184 17767 470 1 1 . 1 1 84 84 LEU HA H 84 5.420 5.420 5.124 0.296 17767 471 1 1 . 1 1 84 84 LEU C C 84 176.500 176.500 175.503 0.997 17767 472 1 1 . 1 1 84 84 LEU CA C 84 53.790 53.790 54.642 -0.852 17767 473 1 1 . 1 1 84 84 LEU CB C 84 44.740 44.740 43.071 1.669 17767 474 1 1 . 1 1 84 84 LEU H H 84 8.850 8.850 8.524 0.326 17767 475 1 1 . 1 1 85 85 ALA N N 85 128.800 128.800 130.604 -1.804 17767 476 1 1 . 1 1 85 85 ALA HA H 85 4.750 4.750 4.664 0.086 17767 477 1 1 . 1 1 85 85 ALA C C 85 177.000 177.000 176.694 0.306 17767 478 1 1 . 1 1 85 85 ALA CA C 85 51.480 51.480 51.247 0.233 17767 479 1 1 . 1 1 85 85 ALA CB C 85 20.910 20.910 20.920 -0.010 17767 480 1 1 . 1 1 85 85 ALA H H 85 9.230 9.230 8.859 0.371 17767 481 1 1 . 1 1 86 86 ASN HA H 86 4.430 4.430 4.355 0.075 17767 482 1 1 . 1 1 86 86 ASN C C 86 175.400 175.400 175.341 0.059 17767 483 1 1 . 1 1 86 86 ASN CA C 86 54.140 54.140 54.037 0.103 17767 484 1 1 . 1 1 86 86 ASN CB C 86 37.550 37.550 37.814 -0.264 17767 485 1 1 . 1 1 87 87 GLY N N 87 103.430 103.430 101.213 2.217 17767 486 1 1 . 1 1 87 87 GLY C C 87 173.800 173.800 174.135 -0.335 17767 487 1 1 . 1 1 87 87 GLY CA C 87 45.670 45.670 45.279 0.391 17767 488 1 1 . 1 1 87 87 GLY H H 87 8.620 8.620 8.557 0.063 17767 489 1 1 . 1 1 88 88 LYS N N 88 120.490 120.490 119.175 1.315 17767 490 1 1 . 1 1 88 88 LYS HA H 88 5.120 5.120 5.338 -0.218 17767 491 1 1 . 1 1 88 88 LYS C C 88 175.500 175.500 174.572 0.928 17767 492 1 1 . 1 1 88 88 LYS CA C 88 55.140 55.140 54.564 0.576 17767 493 1 1 . 1 1 88 88 LYS CB C 88 34.610 34.610 34.519 0.091 17767 494 1 1 . 1 1 88 88 LYS H H 88 7.880 7.880 7.680 0.200 17767 495 1 1 . 1 1 89 89 LEU N N 89 124.420 124.420 122.371 2.049 17767 496 1 1 . 1 1 89 89 LEU HA H 89 4.730 4.730 4.573 0.157 17767 497 1 1 . 1 1 89 89 LEU C C 89 176.700 176.700 174.673 2.027 17767 498 1 1 . 1 1 89 89 LEU CA C 89 54.500 54.500 53.240 1.260 17767 499 1 1 . 1 1 89 89 LEU CB C 89 44.150 44.150 43.652 0.498 17767 500 1 1 . 1 1 89 89 LEU H H 89 8.780 8.780 8.738 0.042 17767 501 1 1 . 1 1 90 90 VAL N N 90 122.500 122.500 124.185 -1.685 17767 502 1 1 . 1 1 90 90 VAL HA H 90 5.420 5.420 4.366 1.054 17767 503 1 1 . 1 1 90 90 VAL C C 90 175.200 175.200 174.063 1.137 17767 504 1 1 . 1 1 90 90 VAL CA C 90 60.350 60.350 60.612 -0.262 17767 505 1 1 . 1 1 90 90 VAL CB C 90 35.930 35.930 33.899 2.031 17767 506 1 1 . 1 1 90 90 VAL H H 90 9.050 9.050 8.584 0.466 17767 507 1 1 . 1 1 91 91 CYS N N 91 123.100 123.100 127.979 -4.879 17767 508 1 1 . 1 1 91 91 CYS HA H 91 5.370 5.370 4.946 0.424 17767 509 1 1 . 1 1 91 91 CYS C C 91 172.700 172.700 173.997 -1.297 17767 510 1 1 . 1 1 91 91 CYS CA C 91 55.230 55.230 57.685 -2.455 17767 511 1 1 . 1 1 91 91 CYS CB C 91 42.970 42.970 26.844 16.126 17767 512 1 1 . 1 1 91 91 CYS H H 91 8.820 8.820 8.828 -0.008 17767 513 1 1 . 1 1 92 92 LYS N N 92 128.900 128.900 126.510 2.390 17767 514 1 1 . 1 1 92 92 LYS HA H 92 5.000 5.000 4.505 0.495 17767 515 1 1 . 1 1 92 92 LYS C C 92 174.270 174.270 175.716 -1.446 17767 516 1 1 . 1 1 92 92 LYS CA C 92 55.360 55.360 56.069 -0.709 17767 517 1 1 . 1 1 92 92 LYS CB C 92 35.960 35.960 34.132 1.828 17767 518 1 1 . 1 1 92 92 LYS H H 92 9.450 9.450 8.453 0.997 17767 519 1 1 . 1 1 93 93 SER N N 93 119.300 119.300 120.498 -1.198 17767 520 1 1 . 1 1 93 93 SER HA H 93 4.710 4.710 4.768 -0.058 17767 521 1 1 . 1 1 93 93 SER C C 93 174.200 174.200 174.922 -0.722 17767 522 1 1 . 1 1 93 93 SER CA C 93 55.430 55.430 57.423 -1.993 17767 523 1 1 . 1 1 93 93 SER CB C 93 66.460 66.460 64.482 1.978 17767 524 1 1 . 1 1 93 93 SER H H 93 8.620 8.620 8.788 -0.168 17767 525 1 1 . 1 1 94 94 GLU N N 94 119.900 119.900 121.307 -1.407 17767 526 1 1 . 1 1 94 94 GLU HA H 94 4.090 4.090 4.318 -0.228 17767 527 1 1 . 1 1 94 94 GLU C C 94 177.600 177.600 176.607 0.993 17767 528 1 1 . 1 1 94 94 GLU CA C 94 59.440 59.440 58.010 1.430 17767 529 1 1 . 1 1 94 94 GLU CB C 94 29.360 29.360 30.047 -0.687 17767 530 1 1 . 1 1 94 94 GLU H H 94 8.670 8.670 8.615 0.055 17767 531 1 1 . 1 1 95 95 LYS N N 95 113.500 113.500 117.178 -3.678 17767 532 1 1 . 1 1 95 95 LYS HA H 95 4.430 4.430 4.157 0.273 17767 533 1 1 . 1 1 95 95 LYS C C 95 175.980 175.980 174.936 1.044 17767 534 1 1 . 1 1 95 95 LYS CA C 95 56.180 56.180 55.540 0.640 17767 535 1 1 . 1 1 95 95 LYS CB C 95 35.220 35.220 32.900 2.320 17767 536 1 1 . 1 1 95 95 LYS H H 95 8.300 8.300 7.869 0.431 17767 537 1 1 . 1 1 96 96 PHE N N 96 113.270 113.270 117.487 -4.217 17767 538 1 1 . 1 1 96 96 PHE HA H 96 5.860 5.860 4.453 1.407 17767 539 1 1 . 1 1 96 96 PHE C C 96 173.900 173.900 173.711 0.189 17767 540 1 1 . 1 1 96 96 PHE CA C 96 55.890 55.890 56.209 -0.320 17767 541 1 1 . 1 1 96 96 PHE CB C 96 43.560 43.560 41.645 1.915 17767 542 1 1 . 1 1 96 96 PHE H H 96 7.000 7.000 7.277 -0.277 17767 543 1 1 . 1 1 97 97 SER N N 97 112.050 112.050 113.944 -1.894 17767 544 1 1 . 1 1 97 97 SER HA H 97 5.220 5.220 4.828 0.392 17767 545 1 1 . 1 1 97 97 SER C C 97 172.560 172.560 172.400 0.160 17767 546 1 1 . 1 1 97 97 SER CA C 97 57.870 57.870 58.258 -0.389 17767 547 1 1 . 1 1 97 97 SER CB C 97 65.990 65.990 64.894 1.096 17767 548 1 1 . 1 1 97 97 SER H H 97 8.790 8.790 8.796 -0.006 17767 549 1 1 . 1 1 98 98 HIS N N 98 126.300 126.300 125.372 0.928 17767 550 1 1 . 1 1 98 98 HIS HA H 98 5.190 5.190 4.965 0.225 17767 551 1 1 . 1 1 98 98 HIS C C 98 174.500 174.500 173.356 1.144 17767 552 1 1 . 1 1 98 98 HIS CA C 98 56.260 56.260 54.528 1.732 17767 553 1 1 . 1 1 98 98 HIS CB C 98 36.270 36.270 32.847 3.423 17767 554 1 1 . 1 1 98 98 HIS H H 98 9.190 9.190 8.927 0.263 17767 555 1 1 . 1 1 99 99 GLU N N 99 126.670 126.670 128.277 -1.607 17767 556 1 1 . 1 1 99 99 GLU HA H 99 5.390 5.390 4.782 0.608 17767 557 1 1 . 1 1 99 99 GLU C C 99 175.400 175.400 175.090 0.310 17767 558 1 1 . 1 1 99 99 GLU CA C 99 55.000 55.000 55.187 -0.187 17767 559 1 1 . 1 1 99 99 GLU CB C 99 34.000 34.000 32.484 1.516 17767 560 1 1 . 1 1 99 99 GLU H H 99 8.350 8.350 8.448 -0.098 17767 561 1 1 . 1 1 101 101 GLU N N 101 125.500 125.500 125.605 -0.105 17767 562 1 1 . 1 1 101 101 GLU HA H 101 5.160 5.160 4.819 0.341 17767 563 1 1 . 1 1 101 101 GLU CA C 101 54.090 54.090 54.291 -0.201 17767 564 1 1 . 1 1 101 101 GLU CB C 101 34.800 34.800 33.566 1.234 17767 565 1 1 . 1 1 101 101 GLU H H 101 8.900 8.900 9.022 -0.122 17767 566 1 1 . 1 1 102 102 VAL N N 102 124.420 124.420 124.989 -0.569 17767 567 1 1 . 1 1 102 102 VAL HA H 102 4.630 4.630 4.194 0.436 17767 568 1 1 . 1 1 102 102 VAL C C 102 175.200 175.200 175.044 0.156 17767 569 1 1 . 1 1 102 102 VAL CA C 102 61.380 61.380 61.437 -0.057 17767 570 1 1 . 1 1 102 102 VAL CB C 102 34.100 34.100 32.667 1.433 17767 571 1 1 . 1 1 102 102 VAL H H 102 8.790 8.790 8.428 0.362 17767 572 1 1 . 1 1 103 103 LYS N N 103 129.480 129.480 129.136 0.344 17767 573 1 1 . 1 1 103 103 LYS HA H 103 4.570 4.570 4.593 -0.023 17767 574 1 1 . 1 1 103 103 LYS C C 103 176.500 176.500 176.614 -0.114 17767 575 1 1 . 1 1 103 103 LYS CA C 103 55.340 55.340 53.887 1.453 17767 576 1 1 . 1 1 103 103 LYS CB C 103 33.760 33.760 32.859 0.901 17767 577 1 1 . 1 1 103 103 LYS H H 103 8.950 8.950 8.841 0.109 17767 578 1 1 . 1 1 104 104 GLY N N 104 116.700 116.700 117.015 -0.315 17767 579 1 1 . 1 1 104 104 GLY C C 104 174.500 174.500 173.962 0.538 17767 580 1 1 . 1 1 104 104 GLY CA C 104 47.680 47.680 47.193 0.487 17767 581 1 1 . 1 1 104 104 GLY H H 104 9.140 9.140 8.797 0.343 17767 582 1 1 . 1 1 105 105 ASN N N 105 125.540 125.540 122.923 2.617 17767 583 1 1 . 1 1 105 105 ASN HA H 105 5.000 5.000 4.963 0.037 17767 584 1 1 . 1 1 105 105 ASN CA C 105 53.130 53.130 52.829 0.301 17767 585 1 1 . 1 1 105 105 ASN CB C 105 39.060 39.060 39.945 -0.885 17767 586 1 1 . 1 1 105 105 ASN H H 105 9.030 9.030 8.288 0.742 17767 587 1 1 . 1 1 106 106 GLU N N 106 120.480 120.480 121.221 -0.741 17767 588 1 1 . 1 1 106 106 GLU HA H 106 5.550 5.550 5.081 0.469 17767 589 1 1 . 1 1 106 106 GLU CA C 106 55.550 55.550 55.286 0.264 17767 590 1 1 . 1 1 106 106 GLU CB C 106 33.160 33.160 31.998 1.162 17767 591 1 1 . 1 1 106 106 GLU H H 106 8.100 8.100 8.121 -0.021 17767 592 1 1 . 1 1 107 107 MET N N 107 124.080 124.080 126.007 -1.927 17767 593 1 1 . 1 1 107 107 MET HA H 107 5.120 5.120 5.309 -0.189 17767 594 1 1 . 1 1 107 107 MET CA C 107 53.700 53.700 53.633 0.067 17767 595 1 1 . 1 1 107 107 MET CB C 107 36.800 36.800 35.509 1.291 17767 596 1 1 . 1 1 107 107 MET H H 107 8.930 8.930 8.832 0.098 17767 597 1 1 . 1 1 108 108 VAL N N 108 126.820 126.820 120.705 6.115 17767 598 1 1 . 1 1 108 108 VAL HA H 108 5.250 5.250 4.986 0.264 17767 599 1 1 . 1 1 108 108 VAL CA C 108 61.340 61.340 59.678 1.662 17767 600 1 1 . 1 1 108 108 VAL CB C 108 34.900 34.900 34.489 0.411 17767 601 1 1 . 1 1 108 108 VAL H H 108 9.017 9.017 9.030 -0.013 17767 602 1 1 . 1 1 109 109 GLU N N 109 128.300 128.300 125.213 3.087 17767 603 1 1 . 1 1 109 109 GLU HA H 109 5.040 5.040 5.340 -0.300 17767 604 1 1 . 1 1 109 109 GLU C C 109 174.410 174.410 175.471 -1.061 17767 605 1 1 . 1 1 109 109 GLU CA C 109 54.440 54.440 54.555 -0.115 17767 606 1 1 . 1 1 109 109 GLU CB C 109 34.760 34.760 34.212 0.548 17767 607 1 1 . 1 1 109 109 GLU H H 109 9.100 9.100 9.132 -0.032 17767 608 1 1 . 1 1 110 110 THR N N 110 120.760 120.760 119.873 0.887 17767 609 1 1 . 1 1 110 110 THR HA H 110 4.850 4.850 4.801 0.049 17767 610 1 1 . 1 1 110 110 THR C C 110 174.900 174.900 173.764 1.136 17767 611 1 1 . 1 1 110 110 THR CA C 110 61.980 61.980 62.018 -0.038 17767 612 1 1 . 1 1 110 110 THR CB C 110 69.520 69.520 69.067 0.453 17767 613 1 1 . 1 1 110 110 THR H H 110 8.876 8.876 8.426 0.450 17767 614 1 1 . 1 1 111 111 ILE N N 111 131.030 131.030 127.375 3.655 17767 615 1 1 . 1 1 111 111 ILE HA H 111 5.240 5.240 4.768 0.472 17767 616 1 1 . 1 1 111 111 ILE C C 111 174.600 174.600 174.918 -0.318 17767 617 1 1 . 1 1 111 111 ILE CA C 111 60.310 60.310 59.369 0.941 17767 618 1 1 . 1 1 111 111 ILE CB C 111 41.220 41.220 40.658 0.562 17767 619 1 1 . 1 1 111 111 ILE H H 111 9.490 9.490 8.420 1.070 17767 620 1 1 . 1 1 112 112 THR N N 112 122.800 122.800 118.382 4.418 17767 621 1 1 . 1 1 112 112 THR HA H 112 5.960 5.960 5.000 0.960 17767 622 1 1 . 1 1 112 112 THR C C 112 174.370 174.370 173.290 1.080 17767 623 1 1 . 1 1 112 112 THR CA C 112 61.180 61.180 61.934 -0.754 17767 624 1 1 . 1 1 112 112 THR CB C 112 71.250 71.250 70.614 0.636 17767 625 1 1 . 1 1 112 112 THR H H 112 9.490 9.490 8.175 1.315 17767 626 1 1 . 1 1 113 113 PHE N N 113 124.980 124.980 124.460 0.520 17767 627 1 1 . 1 1 113 113 PHE HA H 113 4.820 4.820 4.529 0.291 17767 628 1 1 . 1 1 113 113 PHE C C 113 175.700 175.700 175.893 -0.193 17767 629 1 1 . 1 1 113 113 PHE CA C 113 58.800 58.800 57.557 1.243 17767 630 1 1 . 1 1 113 113 PHE CB C 113 43.480 43.480 42.709 0.770 17767 631 1 1 . 1 1 113 113 PHE H H 113 9.000 9.000 8.256 0.744 17767 632 1 1 . 1 1 114 114 GLY N N 114 116.550 116.550 110.779 5.771 17767 633 1 1 . 1 1 114 114 GLY C C 114 175.300 175.300 174.712 0.588 17767 634 1 1 . 1 1 114 114 GLY CA C 114 46.840 46.840 45.834 1.006 17767 635 1 1 . 1 1 114 114 GLY H H 114 8.410 8.410 9.058 -0.648 17767 636 1 1 . 1 1 115 115 GLY N N 115 105.640 105.640 106.366 -0.726 17767 637 1 1 . 1 1 115 115 GLY C C 115 174.200 174.200 173.889 0.311 17767 638 1 1 . 1 1 115 115 GLY CA C 115 44.890 44.890 44.919 -0.029 17767 639 1 1 . 1 1 115 115 GLY H H 115 8.560 8.560 8.157 0.403 17767 640 1 1 . 1 1 116 116 VAL N N 116 123.600 123.600 121.387 2.213 17767 641 1 1 . 1 1 116 116 VAL HA H 116 4.310 4.310 4.341 -0.031 17767 642 1 1 . 1 1 116 116 VAL C C 116 174.640 174.640 175.207 -0.567 17767 643 1 1 . 1 1 116 116 VAL CA C 116 62.250 62.250 60.405 1.845 17767 644 1 1 . 1 1 116 116 VAL CB C 116 34.170 34.170 33.138 1.032 17767 645 1 1 . 1 1 116 116 VAL H H 116 8.164 8.164 7.729 0.435 17767 646 1 1 . 1 1 117 117 THR N N 117 123.270 123.270 123.273 -0.003 17767 647 1 1 . 1 1 117 117 THR HA H 117 5.250 5.250 4.543 0.707 17767 648 1 1 . 1 1 117 117 THR C C 117 173.800 173.800 173.558 0.242 17767 649 1 1 . 1 1 117 117 THR CA C 117 61.900 61.900 61.914 -0.014 17767 650 1 1 . 1 1 117 117 THR CB C 117 70.450 70.450 68.342 2.108 17767 651 1 1 . 1 1 117 117 THR H H 117 8.770 8.770 8.522 0.248 17767 652 1 1 . 1 1 118 118 LEU N N 118 132.800 132.800 130.415 2.385 17767 653 1 1 . 1 1 118 118 LEU HA H 118 4.880 4.880 4.814 0.066 17767 654 1 1 . 1 1 118 118 LEU C C 118 175.200 175.200 174.587 0.613 17767 655 1 1 . 1 1 118 118 LEU CA C 118 53.570 53.570 53.577 -0.007 17767 656 1 1 . 1 1 118 118 LEU CB C 118 44.730 44.730 42.795 1.935 17767 657 1 1 . 1 1 118 118 LEU H H 118 9.700 9.700 7.748 1.952 17767 658 1 1 . 1 1 119 119 ILE N N 119 124.980 124.980 128.918 -3.938 17767 659 1 1 . 1 1 119 119 ILE HA H 119 5.240 5.240 4.527 0.713 17767 660 1 1 . 1 1 119 119 ILE C C 119 175.900 175.900 175.193 0.707 17767 661 1 1 . 1 1 119 119 ILE CA C 119 59.340 59.340 60.574 -1.234 17767 662 1 1 . 1 1 119 119 ILE CB C 119 39.550 39.550 38.187 1.363 17767 663 1 1 . 1 1 119 119 ILE H H 119 7.800 7.800 8.101 -0.301 17767 664 1 1 . 1 1 120 120 ARG N N 120 126.110 126.110 127.751 -1.641 17767 665 1 1 . 1 1 120 120 ARG HA H 120 5.040 5.040 5.461 -0.421 17767 666 1 1 . 1 1 120 120 ARG C C 120 175.300 175.300 174.918 0.382 17767 667 1 1 . 1 1 120 120 ARG CA C 120 54.990 54.990 54.316 0.674 17767 668 1 1 . 1 1 120 120 ARG CB C 120 34.760 34.760 33.821 0.939 17767 669 1 1 . 1 1 120 120 ARG H H 120 9.400 9.400 9.029 0.371 17767 670 1 1 . 1 1 121 121 ARG N N 121 126.600 126.600 123.870 2.730 17767 671 1 1 . 1 1 121 121 ARG HA H 121 5.350 5.350 4.649 0.701 17767 672 1 1 . 1 1 121 121 ARG C C 121 175.020 175.020 174.346 0.674 17767 673 1 1 . 1 1 121 121 ARG CA C 121 55.250 55.250 55.547 -0.297 17767 674 1 1 . 1 1 121 121 ARG CB C 121 31.830 31.830 32.950 -1.120 17767 675 1 1 . 1 1 121 121 ARG H H 121 9.110 9.110 8.903 0.207 17767 676 1 1 . 1 1 122 122 SER N N 122 118.200 118.200 117.939 0.261 17767 677 1 1 . 1 1 122 122 SER HA H 122 5.730 5.730 5.365 0.365 17767 678 1 1 . 1 1 122 122 SER C C 122 173.010 173.010 173.029 -0.019 17767 679 1 1 . 1 1 122 122 SER CA C 122 58.100 58.100 56.001 2.099 17767 680 1 1 . 1 1 122 122 SER CB C 122 66.850 66.850 66.421 0.429 17767 681 1 1 . 1 1 122 122 SER H H 122 9.290 9.290 9.129 0.161 17767 682 1 1 . 1 1 123 123 LYS N N 123 120.480 120.480 120.751 -0.271 17767 683 1 1 . 1 1 123 123 LYS HA H 123 5.780 5.780 5.423 0.357 17767 684 1 1 . 1 1 123 123 LYS C C 123 175.600 175.600 175.477 0.123 17767 685 1 1 . 1 1 123 123 LYS CA C 123 54.130 54.130 54.818 -0.688 17767 686 1 1 . 1 1 123 123 LYS CB C 123 36.330 36.330 36.226 0.104 17767 687 1 1 . 1 1 123 123 LYS H H 123 8.650 8.650 8.983 -0.333 17767 688 1 1 . 1 1 124 124 ARG N N 124 124.980 124.980 123.929 1.051 17767 689 1 1 . 1 1 124 124 ARG HA H 124 3.940 3.940 4.927 -0.987 17767 690 1 1 . 1 1 124 124 ARG C C 124 176.500 176.500 176.088 0.412 17767 691 1 1 . 1 1 124 124 ARG CA C 124 56.900 56.900 56.320 0.580 17767 692 1 1 . 1 1 124 124 ARG CB C 124 30.380 30.380 31.211 -0.831 17767 693 1 1 . 1 1 124 124 ARG H H 124 8.200 8.200 8.952 -0.752 17767 694 1 2 . 1 1 2 2 PHE HA H 2 4.460 4.460 4.846 -0.386 17767 695 1 2 . 1 1 2 2 PHE C C 2 175.900 175.900 176.696 -0.796 17767 696 1 2 . 1 1 2 2 PHE CA C 2 61.170 61.170 58.625 2.545 17767 697 1 2 . 1 1 2 2 PHE CB C 2 40.690 40.690 40.055 0.635 17767 698 1 2 . 1 1 3 3 SER N N 3 111.380 111.380 115.372 -3.992 17767 699 1 2 . 1 1 3 3 SER HA H 3 4.420 4.420 4.281 0.139 17767 700 1 2 . 1 1 3 3 SER C C 3 174.700 174.700 174.755 -0.055 17767 701 1 2 . 1 1 3 3 SER CA C 3 60.000 60.000 59.890 0.110 17767 702 1 2 . 1 1 3 3 SER CB C 3 64.140 64.140 62.459 1.681 17767 703 1 2 . 1 1 3 3 SER H H 3 7.968 7.968 7.853 0.115 17767 704 1 2 . 1 1 4 4 GLY N N 4 111.480 111.480 114.976 -3.496 17767 705 1 2 . 1 1 4 4 GLY C C 4 171.800 171.800 171.528 0.272 17767 706 1 2 . 1 1 4 4 GLY CA C 4 44.150 44.150 45.368 -1.218 17767 707 1 2 . 1 1 4 4 GLY H H 4 9.080 9.080 8.501 0.579 17767 708 1 2 . 1 1 5 5 THR N N 5 117.770 117.770 112.391 5.379 17767 709 1 2 . 1 1 5 5 THR HA H 5 4.980 4.980 5.111 -0.131 17767 710 1 2 . 1 1 5 5 THR C C 5 173.190 173.190 173.491 -0.301 17767 711 1 2 . 1 1 5 5 THR CA C 5 62.930 62.930 59.856 3.074 17767 712 1 2 . 1 1 5 5 THR CB C 5 69.310 69.310 70.730 -1.420 17767 713 1 2 . 1 1 5 5 THR H H 5 8.270 8.270 7.810 0.460 17767 714 1 2 . 1 1 6 6 TRP N N 6 127.500 127.500 126.430 1.070 17767 715 1 2 . 1 1 6 6 TRP HA H 6 5.130 5.130 5.199 -0.069 17767 716 1 2 . 1 1 6 6 TRP CA C 6 55.300 55.300 55.605 -0.305 17767 717 1 2 . 1 1 6 6 TRP CB C 6 32.290 32.290 31.398 0.892 17767 718 1 2 . 1 1 6 6 TRP H H 6 9.560 9.560 9.005 0.555 17767 719 1 2 . 1 1 7 7 GLN HA H 7 4.970 4.970 4.732 0.237 17767 720 1 2 . 1 1 7 7 GLN C C 7 175.900 175.900 174.967 0.933 17767 721 1 2 . 1 1 7 7 GLN CA C 7 54.720 54.720 55.103 -0.383 17767 722 1 2 . 1 1 7 7 GLN CB C 7 32.400 32.400 30.890 1.510 17767 723 1 2 . 1 1 8 8 VAL N N 8 131.400 131.400 129.765 1.635 17767 724 1 2 . 1 1 8 8 VAL HA H 8 4.450 4.450 4.774 -0.324 17767 725 1 2 . 1 1 8 8 VAL CA C 8 63.500 63.500 62.876 0.624 17767 726 1 2 . 1 1 8 8 VAL CB C 8 32.300 32.300 32.606 -0.306 17767 727 1 2 . 1 1 8 8 VAL H H 8 8.270 8.270 8.494 -0.224 17767 728 1 2 . 1 1 9 9 TYR N N 9 123.300 123.300 123.453 -0.153 17767 729 1 2 . 1 1 9 9 TYR HA H 9 5.140 5.140 4.865 0.275 17767 730 1 2 . 1 1 9 9 TYR C C 9 174.600 174.600 173.395 1.205 17767 731 1 2 . 1 1 9 9 TYR CA C 9 56.600 56.600 56.070 0.530 17767 732 1 2 . 1 1 9 9 TYR CB C 9 40.880 40.880 40.746 0.134 17767 733 1 2 . 1 1 9 9 TYR H H 9 9.570 9.570 9.092 0.478 17767 734 1 2 . 1 1 10 10 ALA N N 10 125.800 125.800 125.000 0.800 17767 735 1 2 . 1 1 10 10 ALA HA H 10 4.680 4.680 4.429 0.251 17767 736 1 2 . 1 1 10 10 ALA C C 10 175.200 175.200 175.513 -0.313 17767 737 1 2 . 1 1 10 10 ALA CA C 10 51.780 51.780 52.091 -0.311 17767 738 1 2 . 1 1 10 10 ALA CB C 10 22.070 22.070 21.143 0.927 17767 739 1 2 . 1 1 10 10 ALA H H 10 7.330 7.330 8.095 -0.765 17767 740 1 2 . 1 1 11 11 GLN N N 11 118.300 118.300 120.403 -2.103 17767 741 1 2 . 1 1 11 11 GLN HA H 11 5.370 5.370 4.596 0.774 17767 742 1 2 . 1 1 11 11 GLN C C 11 174.700 174.700 175.615 -0.915 17767 743 1 2 . 1 1 11 11 GLN CA C 11 54.460 54.460 55.451 -0.991 17767 744 1 2 . 1 1 11 11 GLN CB C 11 32.870 32.870 28.634 4.236 17767 745 1 2 . 1 1 11 11 GLN H H 11 8.700 8.700 8.708 -0.008 17767 746 1 2 . 1 1 12 12 GLU N N 12 123.800 123.800 119.822 3.978 17767 747 1 2 . 1 1 12 12 GLU HA H 12 4.600 4.600 4.541 0.059 17767 748 1 2 . 1 1 12 12 GLU C C 12 175.700 175.700 177.145 -1.445 17767 749 1 2 . 1 1 12 12 GLU CA C 12 55.300 55.300 54.702 0.598 17767 750 1 2 . 1 1 12 12 GLU CB C 12 31.760 31.760 30.338 1.422 17767 751 1 2 . 1 1 12 12 GLU H H 12 9.130 9.130 8.331 0.799 17767 752 1 2 . 1 1 13 13 ASN N N 13 117.550 117.550 119.214 -1.664 17767 753 1 2 . 1 1 13 13 ASN HA H 13 4.790 4.790 4.661 0.129 17767 754 1 2 . 1 1 13 13 ASN C C 13 175.600 175.600 175.214 0.386 17767 755 1 2 . 1 1 13 13 ASN CA C 13 54.100 54.100 53.115 0.985 17767 756 1 2 . 1 1 13 13 ASN CB C 13 37.100 37.100 36.508 0.592 17767 757 1 2 . 1 1 13 13 ASN H H 13 9.130 9.130 8.850 0.280 17767 758 1 2 . 1 1 14 14 TYR N N 14 118.280 118.280 123.424 -5.144 17767 759 1 2 . 1 1 14 14 TYR HA H 14 4.360 4.360 4.276 0.084 17767 760 1 2 . 1 1 14 14 TYR C C 14 176.500 176.500 176.645 -0.145 17767 761 1 2 . 1 1 14 14 TYR CA C 14 60.590 60.590 62.457 -1.867 17767 762 1 2 . 1 1 14 14 TYR CB C 14 39.450 39.450 39.555 -0.105 17767 763 1 2 . 1 1 14 14 TYR H H 14 7.900 7.900 8.561 -0.661 17767 764 1 2 . 1 1 15 15 GLU N N 15 118.600 118.600 118.790 -0.190 17767 765 1 2 . 1 1 15 15 GLU HA H 15 3.550 3.550 4.078 -0.528 17767 766 1 2 . 1 1 15 15 GLU C C 15 178.500 178.500 178.576 -0.076 17767 767 1 2 . 1 1 15 15 GLU CA C 15 61.170 61.170 59.700 1.470 17767 768 1 2 . 1 1 15 15 GLU CB C 15 28.700 28.700 28.849 -0.149 17767 769 1 2 . 1 1 15 15 GLU H H 15 8.960 8.960 9.116 -0.156 17767 770 1 2 . 1 1 16 16 GLU N N 16 118.800 118.800 119.277 -0.477 17767 771 1 2 . 1 1 16 16 GLU HA H 16 3.880 3.880 4.119 -0.239 17767 772 1 2 . 1 1 16 16 GLU C C 16 178.600 178.600 178.550 0.050 17767 773 1 2 . 1 1 16 16 GLU CA C 16 60.300 60.300 58.718 1.582 17767 774 1 2 . 1 1 16 16 GLU CB C 16 28.600 28.600 29.424 -0.824 17767 775 1 2 . 1 1 16 16 GLU H H 16 9.090 9.090 8.546 0.544 17767 776 1 2 . 1 1 17 17 PHE N N 17 124.200 124.200 120.510 3.690 17767 777 1 2 . 1 1 17 17 PHE HA H 17 3.960 3.960 4.269 -0.309 17767 778 1 2 . 1 1 17 17 PHE C C 17 176.400 176.400 176.729 -0.329 17767 779 1 2 . 1 1 17 17 PHE CA C 17 62.350 62.350 59.397 2.953 17767 780 1 2 . 1 1 17 17 PHE CB C 17 40.380 40.380 38.831 1.549 17767 781 1 2 . 1 1 17 17 PHE H H 17 8.410 8.410 7.433 0.977 17767 782 1 2 . 1 1 18 18 LEU N N 18 116.400 116.400 118.830 -2.430 17767 783 1 2 . 1 1 18 18 LEU HA H 18 3.780 3.780 3.458 0.322 17767 784 1 2 . 1 1 18 18 LEU C C 18 178.800 178.800 178.729 0.071 17767 785 1 2 . 1 1 18 18 LEU CA C 18 58.240 58.240 57.846 0.394 17767 786 1 2 . 1 1 18 18 LEU CB C 18 41.220 41.220 41.157 0.063 17767 787 1 2 . 1 1 18 18 LEU H H 18 8.200 8.200 7.606 0.594 17767 788 1 2 . 1 1 19 19 LYS N N 19 116.590 116.590 117.837 -1.247 17767 789 1 2 . 1 1 19 19 LYS HA H 19 4.040 4.040 4.068 -0.028 17767 790 1 2 . 1 1 19 19 LYS C C 19 179.800 179.800 179.291 0.509 17767 791 1 2 . 1 1 19 19 LYS CA C 19 58.820 58.820 59.029 -0.209 17767 792 1 2 . 1 1 19 19 LYS CB C 19 32.150 32.150 32.015 0.135 17767 793 1 2 . 1 1 19 19 LYS H H 19 7.790 7.790 7.603 0.187 17767 794 1 2 . 1 1 20 20 ALA N N 20 126.110 126.110 120.520 5.590 17767 795 1 2 . 1 1 20 20 ALA HA H 20 4.160 4.160 4.259 -0.099 17767 796 1 2 . 1 1 20 20 ALA C C 20 178.600 178.600 178.271 0.329 17767 797 1 2 . 1 1 20 20 ALA CA C 20 55.300 55.300 54.075 1.225 17767 798 1 2 . 1 1 20 20 ALA CB C 20 17.700 17.700 18.509 -0.808 17767 799 1 2 . 1 1 20 20 ALA H H 20 7.990 7.990 7.269 0.721 17767 800 1 2 . 1 1 21 21 LEU N N 21 117.110 117.110 117.164 -0.054 17767 801 1 2 . 1 1 21 21 LEU HA H 21 3.688 3.688 4.305 -0.617 17767 802 1 2 . 1 1 21 21 LEU C C 21 176.100 176.100 176.114 -0.014 17767 803 1 2 . 1 1 21 21 LEU CA C 21 55.400 55.400 54.060 1.340 17767 804 1 2 . 1 1 21 21 LEU CB C 21 42.700 42.700 41.742 0.958 17767 805 1 2 . 1 1 21 21 LEU H H 21 7.380 7.380 7.120 0.260 17767 806 1 2 . 1 1 22 22 ALA N N 22 118.800 118.800 119.065 -0.265 17767 807 1 2 . 1 1 22 22 ALA HA H 22 3.985 3.985 3.946 0.039 17767 808 1 2 . 1 1 22 22 ALA C C 22 177.000 177.000 176.761 0.239 17767 809 1 2 . 1 1 22 22 ALA CA C 22 52.370 52.370 52.588 -0.218 17767 810 1 2 . 1 1 22 22 ALA CB C 22 15.960 15.960 16.710 -0.750 17767 811 1 2 . 1 1 22 22 ALA H H 22 7.920 7.920 7.324 0.596 17767 812 1 2 . 1 1 23 23 LEU N N 23 118.470 118.470 119.873 -1.403 17767 813 1 2 . 1 1 23 23 LEU HA H 23 4.425 4.425 4.436 -0.011 17767 814 1 2 . 1 1 23 23 LEU C C 23 174.500 174.500 175.054 -0.554 17767 815 1 2 . 1 1 23 23 LEU CA C 23 54.130 54.130 52.728 1.402 17767 816 1 2 . 1 1 23 23 LEU CB C 23 41.220 41.220 42.147 -0.927 17767 817 1 2 . 1 1 23 23 LEU H H 23 6.950 6.950 7.461 -0.511 17767 818 1 2 . 1 1 24 24 PRO HA H 24 4.475 4.475 4.487 -0.012 17767 819 1 2 . 1 1 24 24 PRO C C 24 177.500 177.500 177.646 -0.146 17767 820 1 2 . 1 1 24 24 PRO CA C 24 62.940 62.940 62.278 0.662 17767 821 1 2 . 1 1 24 24 PRO CB C 24 32.600 32.600 32.518 0.082 17767 822 1 2 . 1 1 25 25 GLU N N 25 122.500 122.500 121.873 0.627 17767 823 1 2 . 1 1 25 25 GLU HA H 25 3.860 3.860 3.935 -0.075 17767 824 1 2 . 1 1 25 25 GLU C C 25 177.900 177.900 177.430 0.470 17767 825 1 2 . 1 1 25 25 GLU CA C 25 60.100 60.100 59.889 0.211 17767 826 1 2 . 1 1 25 25 GLU CB C 25 29.690 29.690 29.345 0.345 17767 827 1 2 . 1 1 25 25 GLU H H 25 8.840 8.840 8.930 -0.090 17767 828 1 2 . 1 1 26 26 ASP N N 26 117.110 117.110 118.364 -1.254 17767 829 1 2 . 1 1 26 26 ASP HA H 26 4.360 4.360 4.461 -0.101 17767 830 1 2 . 1 1 26 26 ASP C C 26 177.900 177.900 178.664 -0.764 17767 831 1 2 . 1 1 26 26 ASP CA C 26 57.080 57.080 56.228 0.852 17767 832 1 2 . 1 1 26 26 ASP CB C 26 40.040 40.040 40.092 -0.052 17767 833 1 2 . 1 1 26 26 ASP H H 26 8.920 8.920 8.285 0.635 17767 834 1 2 . 1 1 27 27 LEU N N 27 121.990 121.990 121.663 0.327 17767 835 1 2 . 1 1 27 27 LEU HA H 27 4.270 4.270 4.176 0.094 17767 836 1 2 . 1 1 27 27 LEU C C 27 178.070 178.070 178.565 -0.495 17767 837 1 2 . 1 1 27 27 LEU CA C 27 57.650 57.650 56.907 0.743 17767 838 1 2 . 1 1 27 27 LEU CB C 27 42.230 42.230 42.159 0.071 17767 839 1 2 . 1 1 27 27 LEU H H 27 7.220 7.220 7.875 -0.655 17767 840 1 2 . 1 1 28 28 ILE N N 28 120.350 120.350 118.470 1.880 17767 841 1 2 . 1 1 28 28 ILE HA H 28 3.317 3.317 3.629 -0.312 17767 842 1 2 . 1 1 28 28 ILE C C 28 177.400 177.400 177.283 0.117 17767 843 1 2 . 1 1 28 28 ILE CA C 28 67.040 67.040 65.198 1.842 17767 844 1 2 . 1 1 28 28 ILE CB C 28 37.110 37.110 37.468 -0.358 17767 845 1 2 . 1 1 28 28 ILE H H 28 7.900 7.900 8.253 -0.353 17767 846 1 2 . 1 1 29 29 LYS N N 29 117.110 117.110 120.380 -3.270 17767 847 1 2 . 1 1 29 29 LYS HA H 29 3.947 3.947 4.263 -0.316 17767 848 1 2 . 1 1 29 29 LYS C C 29 178.900 178.900 177.552 1.348 17767 849 1 2 . 1 1 29 29 LYS CA C 29 60.000 60.000 58.814 1.186 17767 850 1 2 . 1 1 29 29 LYS CB C 29 32.390 32.390 32.566 -0.176 17767 851 1 2 . 1 1 29 29 LYS H H 29 7.850 7.850 7.765 0.085 17767 852 1 2 . 1 1 30 30 MET N N 30 117.110 117.110 118.216 -1.106 17767 853 1 2 . 1 1 30 30 MET HA H 30 4.320 4.320 4.407 -0.087 17767 854 1 2 . 1 1 30 30 MET C C 30 177.500 177.500 178.566 -1.066 17767 855 1 2 . 1 1 30 30 MET CA C 30 57.650 57.650 58.071 -0.421 17767 856 1 2 . 1 1 30 30 MET CB C 30 32.970 32.970 33.477 -0.507 17767 857 1 2 . 1 1 30 30 MET H H 30 7.450 7.450 7.422 0.028 17767 858 1 2 . 1 1 31 31 ALA N N 31 120.480 120.480 121.584 -1.104 17767 859 1 2 . 1 1 31 31 ALA HA H 31 4.270 4.270 4.137 0.133 17767 860 1 2 . 1 1 31 31 ALA CA C 31 53.545 53.545 55.132 -1.587 17767 861 1 2 . 1 1 31 31 ALA CB C 31 19.290 19.290 18.381 0.909 17767 862 1 2 . 1 1 31 31 ALA H H 31 8.420 8.420 8.798 -0.378 17767 863 1 2 . 1 1 32 32 ARG N N 32 122.170 122.170 115.621 6.549 17767 864 1 2 . 1 1 32 32 ARG HA H 32 4.109 4.109 3.738 0.371 17767 865 1 2 . 1 1 32 32 ARG C C 32 176.500 176.500 176.548 -0.048 17767 866 1 2 . 1 1 32 32 ARG CA C 32 61.170 61.170 58.089 3.081 17767 867 1 2 . 1 1 32 32 ARG CB C 32 30.600 30.600 29.883 0.717 17767 868 1 2 . 1 1 32 32 ARG H H 32 7.770 7.770 7.662 0.108 17767 869 1 2 . 1 1 33 33 ASP N N 33 116.550 116.550 117.997 -1.447 17767 870 1 2 . 1 1 33 33 ASP HA H 33 4.920 4.920 4.694 0.226 17767 871 1 2 . 1 1 33 33 ASP C C 33 175.900 175.900 175.744 0.156 17767 872 1 2 . 1 1 33 33 ASP CA C 33 54.130 54.130 53.495 0.635 17767 873 1 2 . 1 1 33 33 ASP CB C 33 41.760 41.760 42.666 -0.906 17767 874 1 2 . 1 1 33 33 ASP H H 33 8.330 8.330 7.981 0.349 17767 875 1 2 . 1 1 34 34 ILE N N 34 120.060 120.060 122.535 -2.475 17767 876 1 2 . 1 1 34 34 ILE HA H 34 4.120 4.120 3.979 0.141 17767 877 1 2 . 1 1 34 34 ILE C C 34 176.100 176.100 175.036 1.064 17767 878 1 2 . 1 1 34 34 ILE CA C 34 61.170 61.170 61.695 -0.525 17767 879 1 2 . 1 1 34 34 ILE CB C 34 37.860 37.860 36.803 1.057 17767 880 1 2 . 1 1 34 34 ILE H H 34 7.240 7.240 7.168 0.072 17767 881 1 2 . 1 1 35 35 LYS N N 35 131.170 131.170 127.370 3.800 17767 882 1 2 . 1 1 35 35 LYS HA H 35 4.700 4.700 4.823 -0.123 17767 883 1 2 . 1 1 35 35 LYS C C 35 173.700 173.700 174.888 -1.188 17767 884 1 2 . 1 1 35 35 LYS CA C 35 52.970 52.970 54.559 -1.589 17767 885 1 2 . 1 1 35 35 LYS CB C 35 32.750 32.750 32.066 0.684 17767 886 1 2 . 1 1 35 35 LYS H H 35 8.980 8.980 7.964 1.016 17767 887 1 2 . 1 1 36 36 PRO HA H 36 4.510 4.510 4.544 -0.034 17767 888 1 2 . 1 1 36 36 PRO CA C 36 63.523 63.523 61.874 1.649 17767 889 1 2 . 1 1 36 36 PRO CB C 36 32.840 32.840 33.195 -0.355 17767 890 1 2 . 1 1 37 37 ILE HA H 37 4.920 4.920 4.339 0.581 17767 891 1 2 . 1 1 37 37 ILE C C 37 175.500 175.500 175.058 0.442 17767 892 1 2 . 1 1 37 37 ILE CA C 37 60.588 60.588 59.226 1.362 17767 893 1 2 . 1 1 37 37 ILE CB C 37 40.630 40.630 40.090 0.541 17767 894 1 2 . 1 1 38 38 VAL N N 38 129.000 129.000 128.982 0.018 17767 895 1 2 . 1 1 38 38 VAL HA H 38 5.120 5.120 4.238 0.882 17767 896 1 2 . 1 1 38 38 VAL C C 38 175.100 175.100 175.081 0.019 17767 897 1 2 . 1 1 38 38 VAL CA C 38 61.176 61.176 61.619 -0.443 17767 898 1 2 . 1 1 38 38 VAL CB C 38 34.850 34.850 31.399 3.451 17767 899 1 2 . 1 1 38 38 VAL H H 38 9.540 9.540 9.202 0.338 17767 900 1 2 . 1 1 39 39 GLU N N 39 128.350 128.350 129.572 -1.222 17767 901 1 2 . 1 1 39 39 GLU HA H 39 5.440 5.440 4.592 0.848 17767 902 1 2 . 1 1 39 39 GLU C C 39 176.000 176.000 174.681 1.319 17767 903 1 2 . 1 1 39 39 GLU CA C 39 54.720 54.720 56.482 -1.762 17767 904 1 2 . 1 1 39 39 GLU CB C 39 32.410 32.410 30.694 1.716 17767 905 1 2 . 1 1 39 39 GLU H H 39 9.590 9.590 8.356 1.234 17767 906 1 2 . 1 1 40 40 ILE N N 40 126.110 126.110 127.037 -0.927 17767 907 1 2 . 1 1 40 40 ILE HA H 40 5.050 5.050 5.073 -0.023 17767 908 1 2 . 1 1 40 40 ILE C C 40 175.800 175.800 173.194 2.606 17767 909 1 2 . 1 1 40 40 ILE CA C 40 61.330 61.330 58.665 2.665 17767 910 1 2 . 1 1 40 40 ILE CB C 40 40.160 40.160 41.855 -1.695 17767 911 1 2 . 1 1 40 40 ILE H H 40 9.630 9.630 8.500 1.130 17767 912 1 2 . 1 1 41 41 GLN N N 41 128.360 128.360 127.429 0.931 17767 913 1 2 . 1 1 41 41 GLN HA H 41 4.720 4.720 5.015 -0.295 17767 914 1 2 . 1 1 41 41 GLN C C 41 173.900 173.900 173.957 -0.057 17767 915 1 2 . 1 1 41 41 GLN CA C 41 54.940 54.940 53.463 1.477 17767 916 1 2 . 1 1 41 41 GLN CB C 41 31.820 31.820 32.426 -0.606 17767 917 1 2 . 1 1 41 41 GLN H H 41 9.270 9.270 8.610 0.660 17767 918 1 2 . 1 1 42 42 GLN N N 42 126.110 126.110 123.014 3.096 17767 919 1 2 . 1 1 42 42 GLN HA H 42 4.380 4.380 4.706 -0.326 17767 920 1 2 . 1 1 42 42 GLN C C 42 174.700 174.700 174.947 -0.247 17767 921 1 2 . 1 1 42 42 GLN CA C 42 54.150 54.150 53.973 0.177 17767 922 1 2 . 1 1 42 42 GLN CB C 42 30.000 30.000 31.734 -1.734 17767 923 1 2 . 1 1 42 42 GLN H H 42 8.250 8.250 8.453 -0.203 17767 924 1 2 . 1 1 43 43 LYS N N 43 130.610 130.610 122.804 7.806 17767 925 1 2 . 1 1 43 43 LYS HA H 43 4.460 4.460 4.533 -0.073 17767 926 1 2 . 1 1 43 43 LYS C C 43 176.030 176.030 176.209 -0.179 17767 927 1 2 . 1 1 43 43 LYS CA C 43 55.306 55.306 56.196 -0.889 17767 928 1 2 . 1 1 43 43 LYS CB C 43 33.270 33.270 33.432 -0.162 17767 929 1 2 . 1 1 43 43 LYS H H 43 8.820 8.820 8.843 -0.023 17767 930 1 2 . 1 1 44 44 GLY N N 44 117.110 117.110 114.985 2.125 17767 931 1 2 . 1 1 44 44 GLY C C 44 174.300 174.300 174.621 -0.321 17767 932 1 2 . 1 1 44 44 GLY CA C 44 47.480 47.480 46.246 1.234 17767 933 1 2 . 1 1 44 44 GLY H H 44 8.940 8.940 8.728 0.212 17767 934 1 2 . 1 1 45 45 ASP N N 45 127.799 127.799 126.236 1.563 17767 935 1 2 . 1 1 45 45 ASP HA H 45 4.870 4.870 4.983 -0.113 17767 936 1 2 . 1 1 45 45 ASP C C 45 174.700 174.700 175.200 -0.500 17767 937 1 2 . 1 1 45 45 ASP CA C 45 54.719 54.719 54.688 0.031 17767 938 1 2 . 1 1 45 45 ASP CB C 45 41.270 41.270 41.936 -0.666 17767 939 1 2 . 1 1 45 45 ASP H H 45 8.870 8.870 8.612 0.258 17767 940 1 2 . 1 1 46 46 ASP N N 46 120.480 120.480 121.553 -1.073 17767 941 1 2 . 1 1 46 46 ASP HA H 46 5.230 5.230 5.486 -0.256 17767 942 1 2 . 1 1 46 46 ASP C C 46 175.070 175.070 174.819 0.251 17767 943 1 2 . 1 1 46 46 ASP CA C 46 54.132 54.132 55.117 -0.985 17767 944 1 2 . 1 1 46 46 ASP CB C 46 41.570 41.570 42.465 -0.895 17767 945 1 2 . 1 1 46 46 ASP H H 46 8.060 8.060 7.556 0.504 17767 946 1 2 . 1 1 47 47 PHE N N 47 122.730 122.730 121.940 0.790 17767 947 1 2 . 1 1 47 47 PHE HA H 47 5.090 5.090 4.686 0.404 17767 948 1 2 . 1 1 47 47 PHE C C 47 176.400 176.400 174.594 1.806 17767 949 1 2 . 1 1 47 47 PHE CA C 47 56.420 56.420 55.494 0.926 17767 950 1 2 . 1 1 47 47 PHE CB C 47 44.150 44.150 42.518 1.632 17767 951 1 2 . 1 1 47 47 PHE H H 47 9.296 9.296 9.175 0.121 17767 952 1 2 . 1 1 48 48 VAL N N 48 121.690 121.690 121.637 0.053 17767 953 1 2 . 1 1 48 48 VAL HA H 48 4.500 4.500 4.428 0.072 17767 954 1 2 . 1 1 48 48 VAL C C 48 175.700 175.700 174.427 1.273 17767 955 1 2 . 1 1 48 48 VAL CA C 48 62.930 62.930 61.390 1.540 17767 956 1 2 . 1 1 48 48 VAL CB C 48 34.670 34.670 33.247 1.423 17767 957 1 2 . 1 1 48 48 VAL H H 48 8.520 8.520 8.796 -0.276 17767 958 1 2 . 1 1 49 49 VAL N N 49 127.200 127.200 128.935 -1.735 17767 959 1 2 . 1 1 49 49 VAL HA H 49 5.250 5.250 4.449 0.801 17767 960 1 2 . 1 1 49 49 VAL C C 49 175.700 175.700 175.287 0.413 17767 961 1 2 . 1 1 49 49 VAL CA C 49 61.180 61.180 61.791 -0.611 17767 962 1 2 . 1 1 49 49 VAL CB C 49 34.660 34.660 32.700 1.960 17767 963 1 2 . 1 1 49 49 VAL H H 49 9.330 9.330 9.307 0.023 17767 964 1 2 . 1 1 50 50 THR N N 50 128.500 128.500 126.114 2.386 17767 965 1 2 . 1 1 50 50 THR HA H 50 5.430 5.430 5.307 0.123 17767 966 1 2 . 1 1 50 50 THR C C 50 173.810 173.810 173.552 0.258 17767 967 1 2 . 1 1 50 50 THR CA C 50 61.530 61.530 61.101 0.429 17767 968 1 2 . 1 1 50 50 THR CB C 50 70.760 70.760 70.365 0.395 17767 969 1 2 . 1 1 50 50 THR H H 50 9.730 9.730 9.320 0.410 17767 970 1 2 . 1 1 51 51 SER N N 51 122.730 122.730 122.712 0.018 17767 971 1 2 . 1 1 51 51 SER HA H 51 5.430 5.430 4.978 0.452 17767 972 1 2 . 1 1 51 51 SER C C 51 173.800 173.800 173.877 -0.077 17767 973 1 2 . 1 1 51 51 SER CA C 51 57.060 57.060 56.590 0.470 17767 974 1 2 . 1 1 51 51 SER CB C 51 64.550 64.550 65.201 -0.651 17767 975 1 2 . 1 1 51 51 SER H H 51 9.190 9.190 8.340 0.850 17767 976 1 2 . 1 1 52 52 LYS N N 52 125.550 125.550 125.859 -0.309 17767 977 1 2 . 1 1 52 52 LYS HA H 52 5.310 5.310 4.492 0.818 17767 978 1 2 . 1 1 52 52 LYS C C 52 175.900 175.900 175.405 0.495 17767 979 1 2 . 1 1 52 52 LYS CA C 52 56.120 56.120 56.378 -0.258 17767 980 1 2 . 1 1 52 52 LYS CB C 52 36.130 36.130 33.482 2.648 17767 981 1 2 . 1 1 52 52 LYS H H 52 9.490 9.490 8.697 0.793 17767 982 1 2 . 1 1 53 53 THR N N 53 115.980 115.980 113.523 2.457 17767 983 1 2 . 1 1 53 53 THR HA H 53 5.024 5.024 4.840 0.184 17767 984 1 2 . 1 1 53 53 THR C C 53 173.400 173.400 172.841 0.559 17767 985 1 2 . 1 1 53 53 THR CA C 53 59.140 59.140 58.012 1.128 17767 986 1 2 . 1 1 53 53 THR CB C 53 69.300 69.300 70.612 -1.312 17767 987 1 2 . 1 1 53 53 THR H H 53 8.760 8.760 7.924 0.836 17767 988 1 2 . 1 1 54 54 PRO HA H 54 4.350 4.350 4.491 -0.141 17767 989 1 2 . 1 1 54 54 PRO C C 54 177.200 177.200 176.221 0.979 17767 990 1 2 . 1 1 54 54 PRO CA C 54 66.458 66.458 63.809 2.650 17767 991 1 2 . 1 1 54 54 PRO CB C 54 32.400 32.400 31.864 0.536 17767 992 1 2 . 1 1 55 55 ARG N N 55 111.480 111.480 117.065 -5.585 17767 993 1 2 . 1 1 55 55 ARG HA H 55 4.510 4.510 4.544 -0.034 17767 994 1 2 . 1 1 55 55 ARG C C 55 175.800 175.800 176.361 -0.561 17767 995 1 2 . 1 1 55 55 ARG CA C 55 55.893 55.893 56.274 -0.381 17767 996 1 2 . 1 1 55 55 ARG CB C 55 32.520 32.520 32.512 0.008 17767 997 1 2 . 1 1 55 55 ARG H H 55 8.010 8.010 7.843 0.167 17767 998 1 2 . 1 1 56 56 GLN N N 56 118.230 118.230 118.297 -0.067 17767 999 1 2 . 1 1 56 56 GLN HA H 56 4.830 4.830 4.518 0.312 17767 1000 1 2 . 1 1 56 56 GLN C C 56 174.200 174.200 173.768 0.432 17767 1001 1 2 . 1 1 56 56 GLN CA C 56 55.610 55.610 55.716 -0.106 17767 1002 1 2 . 1 1 56 56 GLN CB C 56 32.880 32.880 32.476 0.404 17767 1003 1 2 . 1 1 56 56 GLN H H 56 7.530 7.530 8.497 -0.967 17767 1004 1 2 . 1 1 57 57 THR N N 57 120.480 120.480 116.958 3.522 17767 1005 1 2 . 1 1 57 57 THR HA H 57 5.330 5.330 4.943 0.387 17767 1006 1 2 . 1 1 57 57 THR C C 57 174.000 174.000 175.341 -1.341 17767 1007 1 2 . 1 1 57 57 THR CA C 57 61.760 61.760 61.836 -0.076 17767 1008 1 2 . 1 1 57 57 THR CB C 57 71.500 71.500 68.897 2.603 17767 1009 1 2 . 1 1 57 57 THR H H 57 8.610 8.610 8.402 0.208 17767 1010 1 2 . 1 1 58 58 VAL N N 58 125.200 125.200 122.009 3.191 17767 1011 1 2 . 1 1 58 58 VAL HA H 58 4.540 4.540 4.466 0.074 17767 1012 1 2 . 1 1 58 58 VAL C C 58 174.400 174.400 174.767 -0.367 17767 1013 1 2 . 1 1 58 58 VAL CA C 58 61.170 61.170 60.585 0.585 17767 1014 1 2 . 1 1 58 58 VAL CB C 58 35.560 35.560 33.550 2.010 17767 1015 1 2 . 1 1 58 58 VAL H H 58 8.830 8.830 8.690 0.140 17767 1016 1 2 . 1 1 59 59 THR N N 59 125.500 125.500 117.593 7.907 17767 1017 1 2 . 1 1 59 59 THR HA H 59 5.260 5.260 5.230 0.030 17767 1018 1 2 . 1 1 59 59 THR C C 59 173.400 173.400 174.070 -0.670 17767 1019 1 2 . 1 1 59 59 THR CA C 59 61.980 61.980 61.686 0.294 17767 1020 1 2 . 1 1 59 59 THR CB C 59 71.150 71.150 70.758 0.392 17767 1021 1 2 . 1 1 59 59 THR H H 59 8.870 8.870 8.345 0.525 17767 1022 1 2 . 1 1 60 60 ASN N N 60 124.700 124.700 126.226 -1.526 17767 1023 1 2 . 1 1 60 60 ASN HA H 60 5.270 5.270 5.071 0.199 17767 1024 1 2 . 1 1 60 60 ASN C C 60 173.300 173.300 173.783 -0.483 17767 1025 1 2 . 1 1 60 60 ASN CA C 60 53.000 53.000 52.362 0.638 17767 1026 1 2 . 1 1 60 60 ASN CB C 60 44.700 44.700 41.684 3.016 17767 1027 1 2 . 1 1 60 60 ASN H H 60 9.180 9.180 9.190 -0.010 17767 1028 1 2 . 1 1 61 61 SER N N 61 115.980 115.980 118.896 -2.916 17767 1029 1 2 . 1 1 61 61 SER HA H 61 5.430 5.430 5.365 0.065 17767 1030 1 2 . 1 1 61 61 SER C C 61 173.300 173.300 173.172 0.128 17767 1031 1 2 . 1 1 61 61 SER CA C 61 57.060 57.060 56.720 0.340 17767 1032 1 2 . 1 1 61 61 SER CB C 61 65.590 65.590 65.948 -0.358 17767 1033 1 2 . 1 1 61 61 SER H H 61 8.840 8.840 8.641 0.199 17767 1034 1 2 . 1 1 62 62 PHE N N 62 117.670 117.670 117.683 -0.013 17767 1035 1 2 . 1 1 62 62 PHE HA H 62 5.020 5.020 4.937 0.083 17767 1036 1 2 . 1 1 62 62 PHE C C 62 173.100 173.100 173.276 -0.176 17767 1037 1 2 . 1 1 62 62 PHE CA C 62 56.590 56.590 56.521 0.069 17767 1038 1 2 . 1 1 62 62 PHE CB C 62 40.030 40.030 40.210 -0.180 17767 1039 1 2 . 1 1 62 62 PHE H H 62 8.235 8.235 8.353 -0.118 17767 1040 1 2 . 1 1 63 63 THR N N 63 119.920 119.920 115.983 3.937 17767 1041 1 2 . 1 1 63 63 THR HA H 63 5.500 5.500 5.059 0.441 17767 1042 1 2 . 1 1 63 63 THR C C 63 175.600 175.600 174.544 1.056 17767 1043 1 2 . 1 1 63 63 THR CA C 63 61.170 61.170 61.125 0.045 17767 1044 1 2 . 1 1 63 63 THR CB C 63 72.320 72.320 70.900 1.420 17767 1045 1 2 . 1 1 63 63 THR H H 63 9.650 9.650 8.803 0.847 17767 1046 1 2 . 1 1 64 64 LEU N N 64 126.300 126.300 127.950 -1.650 17767 1047 1 2 . 1 1 64 64 LEU HA H 64 4.430 4.430 3.820 0.610 17767 1048 1 2 . 1 1 64 64 LEU C C 64 178.000 178.000 178.203 -0.203 17767 1049 1 2 . 1 1 64 64 LEU CA C 64 56.100 56.100 56.372 -0.272 17767 1050 1 2 . 1 1 64 64 LEU CB C 64 41.330 41.330 40.330 1.000 17767 1051 1 2 . 1 1 64 64 LEU H H 64 9.280 9.280 9.083 0.197 17767 1052 1 2 . 1 1 65 65 GLY N N 65 107.520 107.520 112.364 -4.844 17767 1053 1 2 . 1 1 65 65 GLY C C 65 173.800 173.800 173.915 -0.115 17767 1054 1 2 . 1 1 65 65 GLY CA C 65 45.780 45.780 44.848 0.932 17767 1055 1 2 . 1 1 65 65 GLY H H 65 9.110 9.110 9.102 0.008 17767 1056 1 2 . 1 1 66 66 LYS N N 66 121.600 121.600 119.632 1.968 17767 1057 1 2 . 1 1 66 66 LYS HA H 66 4.780 4.780 4.556 0.224 17767 1058 1 2 . 1 1 66 66 LYS C C 66 175.600 175.600 174.829 0.771 17767 1059 1 2 . 1 1 66 66 LYS CA C 66 54.100 54.100 54.043 0.057 17767 1060 1 2 . 1 1 66 66 LYS CB C 66 34.620 34.620 36.202 -1.582 17767 1061 1 2 . 1 1 66 66 LYS H H 66 7.910 7.910 8.031 -0.121 17767 1062 1 2 . 1 1 67 67 GLU N N 67 129.400 129.400 121.389 8.011 17767 1063 1 2 . 1 1 67 67 GLU HA H 67 4.070 4.070 4.430 -0.360 17767 1064 1 2 . 1 1 67 67 GLU C C 67 175.030 175.030 175.650 -0.620 17767 1065 1 2 . 1 1 67 67 GLU CA C 67 59.220 59.220 55.910 3.310 17767 1066 1 2 . 1 1 67 67 GLU CB C 67 30.400 30.400 30.666 -0.266 17767 1067 1 2 . 1 1 67 67 GLU H H 67 8.940 8.940 8.609 0.331 17767 1068 1 2 . 1 1 68 68 ALA N N 68 130.940 130.940 128.243 2.697 17767 1069 1 2 . 1 1 68 68 ALA HA H 68 4.900 4.900 4.682 0.218 17767 1070 1 2 . 1 1 68 68 ALA C C 68 176.000 176.000 175.177 0.823 17767 1071 1 2 . 1 1 68 68 ALA CA C 68 51.000 51.000 51.070 -0.070 17767 1072 1 2 . 1 1 68 68 ALA CB C 68 22.440 22.440 22.983 -0.543 17767 1073 1 2 . 1 1 68 68 ALA H H 68 8.660 8.660 8.737 -0.077 17767 1074 1 2 . 1 1 69 69 ASP N N 69 120.500 120.500 123.789 -3.289 17767 1075 1 2 . 1 1 69 69 ASP HA H 69 5.000 5.000 4.974 0.026 17767 1076 1 2 . 1 1 69 69 ASP C C 69 174.400 174.400 176.370 -1.970 17767 1077 1 2 . 1 1 69 69 ASP CA C 69 54.670 54.670 54.478 0.192 17767 1078 1 2 . 1 1 69 69 ASP CB C 69 41.930 41.930 41.369 0.561 17767 1079 1 2 . 1 1 69 69 ASP H H 69 8.330 8.330 8.627 -0.297 17767 1080 1 2 . 1 1 70 70 ILE N N 70 125.540 125.540 122.749 2.791 17767 1081 1 2 . 1 1 70 70 ILE HA H 70 4.510 4.510 4.589 -0.079 17767 1082 1 2 . 1 1 70 70 ILE C C 70 175.300 175.300 174.217 1.083 17767 1083 1 2 . 1 1 70 70 ILE CA C 70 57.690 57.690 59.245 -1.555 17767 1084 1 2 . 1 1 70 70 ILE CB C 70 40.040 40.040 40.727 -0.687 17767 1085 1 2 . 1 1 70 70 ILE H H 70 8.850 8.850 9.016 -0.166 17767 1086 1 2 . 1 1 71 71 THR N N 71 123.860 123.860 117.736 6.124 17767 1087 1 2 . 1 1 71 71 THR HA H 71 5.240 5.240 5.003 0.237 17767 1088 1 2 . 1 1 71 71 THR C C 71 174.600 174.600 174.031 0.569 17767 1089 1 2 . 1 1 71 71 THR CA C 71 61.610 61.610 61.491 0.119 17767 1090 1 2 . 1 1 71 71 THR CB C 71 70.370 70.370 70.538 -0.168 17767 1091 1 2 . 1 1 71 71 THR H H 71 9.460 9.460 8.853 0.607 17767 1092 1 2 . 1 1 72 72 THR N N 72 115.980 115.980 119.313 -3.333 17767 1093 1 2 . 1 1 72 72 THR HA H 72 4.550 4.550 4.612 -0.062 17767 1094 1 2 . 1 1 72 72 THR C C 72 177.300 177.300 176.960 0.340 17767 1095 1 2 . 1 1 72 72 THR CA C 72 60.550 60.550 59.921 0.629 17767 1096 1 2 . 1 1 72 72 THR CB C 72 70.710 70.710 69.991 0.719 17767 1097 1 2 . 1 1 72 72 THR H H 72 8.700 8.700 8.579 0.121 17767 1098 1 2 . 1 1 73 73 MET N N 73 119.830 119.830 119.604 0.226 17767 1099 1 2 . 1 1 73 73 MET HA H 73 4.110 4.110 4.414 -0.304 17767 1100 1 2 . 1 1 73 73 MET C C 73 176.200 176.200 175.253 0.947 17767 1101 1 2 . 1 1 73 73 MET CA C 73 58.900 58.900 56.690 2.210 17767 1102 1 2 . 1 1 73 73 MET CB C 73 34.760 34.760 31.777 2.983 17767 1103 1 2 . 1 1 73 73 MET H H 73 10.360 10.360 8.787 1.573 17767 1104 1 2 . 1 1 74 74 ASP N N 74 112.220 112.220 118.469 -6.249 17767 1105 1 2 . 1 1 74 74 ASP HA H 74 4.800 4.800 4.619 0.181 17767 1106 1 2 . 1 1 74 74 ASP C C 74 175.600 175.600 177.347 -1.747 17767 1107 1 2 . 1 1 74 74 ASP CA C 74 52.630 52.630 54.180 -1.550 17767 1108 1 2 . 1 1 74 74 ASP CB C 74 38.870 38.870 41.116 -2.246 17767 1109 1 2 . 1 1 74 74 ASP H H 74 8.680 8.680 7.521 1.159 17767 1110 1 2 . 1 1 75 75 GLY N N 75 108.040 108.040 109.126 -1.086 17767 1111 1 2 . 1 1 75 75 GLY C C 75 175.000 175.000 173.947 1.053 17767 1112 1 2 . 1 1 75 75 GLY CA C 75 46.400 46.400 45.295 1.105 17767 1113 1 2 . 1 1 75 75 GLY H H 75 7.600 7.600 7.899 -0.299 17767 1114 1 2 . 1 1 76 76 LYS N N 76 120.500 120.500 121.421 -0.921 17767 1115 1 2 . 1 1 76 76 LYS HA H 76 4.440 4.440 4.539 -0.099 17767 1116 1 2 . 1 1 76 76 LYS C C 76 175.400 175.400 175.023 0.377 17767 1117 1 2 . 1 1 76 76 LYS CA C 76 55.240 55.240 54.333 0.907 17767 1118 1 2 . 1 1 76 76 LYS CB C 76 33.500 33.500 34.297 -0.797 17767 1119 1 2 . 1 1 76 76 LYS H H 76 8.260 8.260 7.564 0.696 17767 1120 1 2 . 1 1 77 77 LYS N N 77 119.300 119.300 127.207 -7.907 17767 1121 1 2 . 1 1 77 77 LYS HA H 77 5.370 5.370 4.792 0.578 17767 1122 1 2 . 1 1 77 77 LYS C C 77 176.100 176.100 175.402 0.698 17767 1123 1 2 . 1 1 77 77 LYS CA C 77 54.360 54.360 56.114 -1.754 17767 1124 1 2 . 1 1 77 77 LYS CB C 77 32.840 32.840 32.759 0.081 17767 1125 1 2 . 1 1 77 77 LYS H H 77 8.130 8.130 8.610 -0.480 17767 1126 1 2 . 1 1 78 78 LEU N N 78 123.860 123.860 126.085 -2.225 17767 1127 1 2 . 1 1 78 78 LEU HA H 78 4.910 4.910 4.837 0.073 17767 1128 1 2 . 1 1 78 78 LEU C C 78 175.600 175.600 174.839 0.761 17767 1129 1 2 . 1 1 78 78 LEU CA C 78 53.170 53.170 53.209 -0.039 17767 1130 1 2 . 1 1 78 78 LEU CB C 78 45.780 45.780 46.752 -0.972 17767 1131 1 2 . 1 1 78 78 LEU H H 78 9.028 9.028 8.456 0.572 17767 1132 1 2 . 1 1 79 79 LYS N N 79 119.280 119.280 119.366 -0.086 17767 1133 1 2 . 1 1 79 79 LYS HA H 79 5.615 5.615 5.061 0.554 17767 1134 1 2 . 1 1 79 79 LYS C C 79 176.600 176.600 175.281 1.319 17767 1135 1 2 . 1 1 79 79 LYS CA C 79 55.000 55.000 54.906 0.094 17767 1136 1 2 . 1 1 79 79 LYS CB C 79 36.850 36.850 33.384 3.466 17767 1137 1 2 . 1 1 79 79 LYS H H 79 8.240 8.240 7.984 0.256 17767 1138 1 2 . 1 1 80 80 CYS N N 80 115.980 115.980 124.981 -9.001 17767 1139 1 2 . 1 1 80 80 CYS HA H 80 4.700 4.700 4.777 -0.077 17767 1140 1 2 . 1 1 80 80 CYS C C 80 173.500 173.500 174.017 -0.517 17767 1141 1 2 . 1 1 80 80 CYS CA C 80 56.500 56.500 57.368 -0.868 17767 1142 1 2 . 1 1 80 80 CYS CB C 80 45.700 45.700 29.896 15.804 17767 1143 1 2 . 1 1 80 80 CYS H H 80 8.306 8.306 8.596 -0.290 17767 1144 1 2 . 1 1 81 81 THR N N 81 122.000 122.000 125.761 -3.761 17767 1145 1 2 . 1 1 81 81 THR HA H 81 4.303 4.303 4.658 -0.355 17767 1146 1 2 . 1 1 81 81 THR C C 81 173.100 173.100 173.973 -0.873 17767 1147 1 2 . 1 1 81 81 THR CA C 81 62.460 62.460 62.066 0.394 17767 1148 1 2 . 1 1 81 81 THR CB C 81 68.200 68.200 67.502 0.698 17767 1149 1 2 . 1 1 81 81 THR H H 81 8.840 8.840 8.854 -0.014 17767 1150 1 2 . 1 1 82 82 VAL N N 82 132.160 132.160 125.765 6.395 17767 1151 1 2 . 1 1 82 82 VAL HA H 82 4.449 4.449 4.427 0.022 17767 1152 1 2 . 1 1 82 82 VAL C C 82 175.100 175.100 175.402 -0.302 17767 1153 1 2 . 1 1 82 82 VAL CA C 82 61.760 61.760 62.431 -0.671 17767 1154 1 2 . 1 1 82 82 VAL CB C 82 31.200 31.200 31.807 -0.607 17767 1155 1 2 . 1 1 82 82 VAL H H 82 9.520 9.520 7.634 1.886 17767 1156 1 2 . 1 1 83 83 HIS N N 83 123.860 123.860 120.651 3.209 17767 1157 1 2 . 1 1 83 83 HIS HA H 83 5.009 5.009 4.794 0.215 17767 1158 1 2 . 1 1 83 83 HIS C C 83 173.500 173.500 172.780 0.720 17767 1159 1 2 . 1 1 83 83 HIS CA C 83 55.300 55.300 54.221 1.079 17767 1160 1 2 . 1 1 83 83 HIS CB C 83 33.400 33.400 32.373 1.027 17767 1161 1 2 . 1 1 83 83 HIS H H 83 8.740 8.740 8.528 0.212 17767 1162 1 2 . 1 1 84 84 LEU N N 84 121.600 121.600 125.002 -3.402 17767 1163 1 2 . 1 1 84 84 LEU HA H 84 5.420 5.420 4.846 0.574 17767 1164 1 2 . 1 1 84 84 LEU C C 84 176.500 176.500 175.694 0.806 17767 1165 1 2 . 1 1 84 84 LEU CA C 84 53.790 53.790 54.216 -0.426 17767 1166 1 2 . 1 1 84 84 LEU CB C 84 44.740 44.740 42.715 2.025 17767 1167 1 2 . 1 1 84 84 LEU H H 84 8.850 8.850 8.478 0.372 17767 1168 1 2 . 1 1 85 85 ALA N N 85 128.800 128.800 130.356 -1.556 17767 1169 1 2 . 1 1 85 85 ALA HA H 85 4.750 4.750 4.739 0.011 17767 1170 1 2 . 1 1 85 85 ALA C C 85 177.000 177.000 176.746 0.254 17767 1171 1 2 . 1 1 85 85 ALA CA C 85 51.480 51.480 51.341 0.139 17767 1172 1 2 . 1 1 85 85 ALA CB C 85 20.910 20.910 20.647 0.263 17767 1173 1 2 . 1 1 85 85 ALA H H 85 9.230 9.230 9.030 0.200 17767 1174 1 2 . 1 1 86 86 ASN HA H 86 4.430 4.430 4.363 0.067 17767 1175 1 2 . 1 1 86 86 ASN C C 86 175.400 175.400 175.096 0.304 17767 1176 1 2 . 1 1 86 86 ASN CA C 86 54.140 54.140 53.868 0.272 17767 1177 1 2 . 1 1 86 86 ASN CB C 86 37.550 37.550 36.717 0.833 17767 1178 1 2 . 1 1 87 87 GLY N N 87 103.430 103.430 101.885 1.545 17767 1179 1 2 . 1 1 87 87 GLY C C 87 173.800 173.800 173.897 -0.097 17767 1180 1 2 . 1 1 87 87 GLY CA C 87 45.670 45.670 45.319 0.351 17767 1181 1 2 . 1 1 87 87 GLY H H 87 8.620 8.620 8.520 0.100 17767 1182 1 2 . 1 1 88 88 LYS N N 88 120.490 120.490 119.547 0.943 17767 1183 1 2 . 1 1 88 88 LYS HA H 88 5.120 5.120 4.950 0.170 17767 1184 1 2 . 1 1 88 88 LYS C C 88 175.500 175.500 174.403 1.097 17767 1185 1 2 . 1 1 88 88 LYS CA C 88 55.140 55.140 53.644 1.496 17767 1186 1 2 . 1 1 88 88 LYS CB C 88 34.610 34.610 34.330 0.280 17767 1187 1 2 . 1 1 88 88 LYS H H 88 7.880 7.880 7.641 0.239 17767 1188 1 2 . 1 1 89 89 LEU N N 89 124.420 124.420 125.281 -0.861 17767 1189 1 2 . 1 1 89 89 LEU HA H 89 4.730 4.730 4.403 0.327 17767 1190 1 2 . 1 1 89 89 LEU C C 89 176.700 176.700 175.047 1.653 17767 1191 1 2 . 1 1 89 89 LEU CA C 89 54.500 54.500 53.764 0.736 17767 1192 1 2 . 1 1 89 89 LEU CB C 89 44.150 44.150 42.565 1.585 17767 1193 1 2 . 1 1 89 89 LEU H H 89 8.780 8.780 8.193 0.587 17767 1194 1 2 . 1 1 90 90 VAL N N 90 122.500 122.500 124.408 -1.908 17767 1195 1 2 . 1 1 90 90 VAL HA H 90 5.420 5.420 4.190 1.230 17767 1196 1 2 . 1 1 90 90 VAL C C 90 175.200 175.200 173.812 1.388 17767 1197 1 2 . 1 1 90 90 VAL CA C 90 60.350 60.350 60.791 -0.441 17767 1198 1 2 . 1 1 90 90 VAL CB C 90 35.930 35.930 33.694 2.236 17767 1199 1 2 . 1 1 90 90 VAL H H 90 9.050 9.050 8.634 0.416 17767 1200 1 2 . 1 1 91 91 CYS N N 91 123.100 123.100 128.655 -5.555 17767 1201 1 2 . 1 1 91 91 CYS HA H 91 5.370 5.370 4.852 0.518 17767 1202 1 2 . 1 1 91 91 CYS C C 91 172.700 172.700 172.975 -0.275 17767 1203 1 2 . 1 1 91 91 CYS CA C 91 55.230 55.230 57.074 -1.844 17767 1204 1 2 . 1 1 91 91 CYS CB C 91 42.970 42.970 27.169 15.801 17767 1205 1 2 . 1 1 91 91 CYS H H 91 8.820 8.820 8.454 0.366 17767 1206 1 2 . 1 1 92 92 LYS N N 92 128.900 128.900 128.711 0.189 17767 1207 1 2 . 1 1 92 92 LYS HA H 92 5.000 5.000 4.590 0.410 17767 1208 1 2 . 1 1 92 92 LYS C C 92 174.270 174.270 175.589 -1.319 17767 1209 1 2 . 1 1 92 92 LYS CA C 92 55.360 55.360 55.400 -0.040 17767 1210 1 2 . 1 1 92 92 LYS CB C 92 35.960 35.960 34.639 1.321 17767 1211 1 2 . 1 1 92 92 LYS H H 92 9.450 9.450 8.411 1.039 17767 1212 1 2 . 1 1 93 93 SER N N 93 119.300 119.300 120.919 -1.619 17767 1213 1 2 . 1 1 93 93 SER HA H 93 4.710 4.710 4.760 -0.050 17767 1214 1 2 . 1 1 93 93 SER C C 93 174.200 174.200 175.051 -0.851 17767 1215 1 2 . 1 1 93 93 SER CA C 93 55.430 55.430 57.350 -1.920 17767 1216 1 2 . 1 1 93 93 SER CB C 93 66.460 66.460 64.267 2.193 17767 1217 1 2 . 1 1 93 93 SER H H 93 8.620 8.620 8.907 -0.287 17767 1218 1 2 . 1 1 94 94 GLU N N 94 119.900 119.900 120.725 -0.825 17767 1219 1 2 . 1 1 94 94 GLU HA H 94 4.090 4.090 4.313 -0.223 17767 1220 1 2 . 1 1 94 94 GLU C C 94 177.600 177.600 176.632 0.968 17767 1221 1 2 . 1 1 94 94 GLU CA C 94 59.440 59.440 57.946 1.494 17767 1222 1 2 . 1 1 94 94 GLU CB C 94 29.360 29.360 30.170 -0.810 17767 1223 1 2 . 1 1 94 94 GLU H H 94 8.670 8.670 8.577 0.093 17767 1224 1 2 . 1 1 95 95 LYS N N 95 113.500 113.500 117.366 -3.866 17767 1225 1 2 . 1 1 95 95 LYS HA H 95 4.430 4.430 4.133 0.297 17767 1226 1 2 . 1 1 95 95 LYS C C 95 175.980 175.980 174.895 1.085 17767 1227 1 2 . 1 1 95 95 LYS CA C 95 56.180 56.180 55.509 0.671 17767 1228 1 2 . 1 1 95 95 LYS CB C 95 35.220 35.220 32.828 2.392 17767 1229 1 2 . 1 1 95 95 LYS H H 95 8.300 8.300 7.745 0.555 17767 1230 1 2 . 1 1 96 96 PHE N N 96 113.270 113.270 117.762 -4.492 17767 1231 1 2 . 1 1 96 96 PHE HA H 96 5.860 5.860 4.706 1.154 17767 1232 1 2 . 1 1 96 96 PHE C C 96 173.900 173.900 174.058 -0.158 17767 1233 1 2 . 1 1 96 96 PHE CA C 96 55.890 55.890 55.780 0.110 17767 1234 1 2 . 1 1 96 96 PHE CB C 96 43.560 43.560 41.582 1.978 17767 1235 1 2 . 1 1 96 96 PHE H H 96 7.000 7.000 7.373 -0.373 17767 1236 1 2 . 1 1 97 97 SER N N 97 112.050 112.050 113.052 -1.002 17767 1237 1 2 . 1 1 97 97 SER HA H 97 5.220 5.220 4.824 0.396 17767 1238 1 2 . 1 1 97 97 SER C C 97 172.560 172.560 172.526 0.034 17767 1239 1 2 . 1 1 97 97 SER CA C 97 57.870 57.870 58.034 -0.164 17767 1240 1 2 . 1 1 97 97 SER CB C 97 65.990 65.990 65.861 0.129 17767 1241 1 2 . 1 1 97 97 SER H H 97 8.790 8.790 8.839 -0.049 17767 1242 1 2 . 1 1 98 98 HIS N N 98 126.300 126.300 122.535 3.765 17767 1243 1 2 . 1 1 98 98 HIS HA H 98 5.190 5.190 4.920 0.270 17767 1244 1 2 . 1 1 98 98 HIS C C 98 174.500 174.500 173.370 1.130 17767 1245 1 2 . 1 1 98 98 HIS CA C 98 56.260 56.260 54.647 1.613 17767 1246 1 2 . 1 1 98 98 HIS CB C 98 36.270 36.270 32.927 3.343 17767 1247 1 2 . 1 1 98 98 HIS H H 98 9.190 9.190 9.161 0.029 17767 1248 1 2 . 1 1 99 99 GLU N N 99 126.670 126.670 127.700 -1.030 17767 1249 1 2 . 1 1 99 99 GLU HA H 99 5.390 5.390 4.787 0.603 17767 1250 1 2 . 1 1 99 99 GLU C C 99 175.400 175.400 174.869 0.531 17767 1251 1 2 . 1 1 99 99 GLU CA C 99 55.000 55.000 54.931 0.069 17767 1252 1 2 . 1 1 99 99 GLU CB C 99 34.000 34.000 32.934 1.066 17767 1253 1 2 . 1 1 99 99 GLU H H 99 8.350 8.350 8.799 -0.449 17767 1254 1 2 . 1 1 101 101 GLU N N 101 125.500 125.500 124.460 1.040 17767 1255 1 2 . 1 1 101 101 GLU HA H 101 5.160 5.160 4.750 0.410 17767 1256 1 2 . 1 1 101 101 GLU CA C 101 54.090 54.090 54.270 -0.180 17767 1257 1 2 . 1 1 101 101 GLU CB C 101 34.800 34.800 32.997 1.803 17767 1258 1 2 . 1 1 101 101 GLU H H 101 8.900 8.900 9.044 -0.144 17767 1259 1 2 . 1 1 102 102 VAL N N 102 124.420 124.420 126.041 -1.621 17767 1260 1 2 . 1 1 102 102 VAL HA H 102 4.630 4.630 4.243 0.387 17767 1261 1 2 . 1 1 102 102 VAL C C 102 175.200 175.200 175.329 -0.129 17767 1262 1 2 . 1 1 102 102 VAL CA C 102 61.380 61.380 61.381 -0.001 17767 1263 1 2 . 1 1 102 102 VAL CB C 102 34.100 34.100 31.925 2.175 17767 1264 1 2 . 1 1 102 102 VAL H H 102 8.790 8.790 8.651 0.139 17767 1265 1 2 . 1 1 103 103 LYS N N 103 129.480 129.480 128.614 0.866 17767 1266 1 2 . 1 1 103 103 LYS HA H 103 4.570 4.570 4.547 0.023 17767 1267 1 2 . 1 1 103 103 LYS C C 103 176.500 176.500 176.823 -0.323 17767 1268 1 2 . 1 1 103 103 LYS CA C 103 55.340 55.340 54.946 0.394 17767 1269 1 2 . 1 1 103 103 LYS CB C 103 33.760 33.760 33.341 0.419 17767 1270 1 2 . 1 1 103 103 LYS H H 103 8.950 8.950 9.027 -0.077 17767 1271 1 2 . 1 1 104 104 GLY N N 104 116.700 116.700 117.489 -0.789 17767 1272 1 2 . 1 1 104 104 GLY C C 104 174.500 174.500 174.123 0.377 17767 1273 1 2 . 1 1 104 104 GLY CA C 104 47.680 47.680 46.892 0.788 17767 1274 1 2 . 1 1 104 104 GLY H H 104 9.140 9.140 8.917 0.223 17767 1275 1 2 . 1 1 105 105 ASN N N 105 125.540 125.540 125.021 0.519 17767 1276 1 2 . 1 1 105 105 ASN HA H 105 5.000 5.000 5.002 -0.002 17767 1277 1 2 . 1 1 105 105 ASN CA C 105 53.130 53.130 52.741 0.389 17767 1278 1 2 . 1 1 105 105 ASN CB C 105 39.060 39.060 39.998 -0.938 17767 1279 1 2 . 1 1 105 105 ASN H H 105 9.030 9.030 8.475 0.555 17767 1280 1 2 . 1 1 106 106 GLU N N 106 120.480 120.480 119.367 1.113 17767 1281 1 2 . 1 1 106 106 GLU HA H 106 5.550 5.550 5.095 0.455 17767 1282 1 2 . 1 1 106 106 GLU CA C 106 55.550 55.550 55.222 0.328 17767 1283 1 2 . 1 1 106 106 GLU CB C 106 33.160 33.160 33.865 -0.705 17767 1284 1 2 . 1 1 106 106 GLU H H 106 8.100 8.100 7.938 0.162 17767 1285 1 2 . 1 1 107 107 MET N N 107 124.080 124.080 125.812 -1.732 17767 1286 1 2 . 1 1 107 107 MET HA H 107 5.120 5.120 5.074 0.046 17767 1287 1 2 . 1 1 107 107 MET CA C 107 53.700 53.700 54.142 -0.442 17767 1288 1 2 . 1 1 107 107 MET CB C 107 36.800 36.800 34.664 2.136 17767 1289 1 2 . 1 1 107 107 MET H H 107 8.930 8.930 8.964 -0.034 17767 1290 1 2 . 1 1 108 108 VAL N N 108 126.820 126.820 122.744 4.076 17767 1291 1 2 . 1 1 108 108 VAL HA H 108 5.250 5.250 4.623 0.627 17767 1292 1 2 . 1 1 108 108 VAL CA C 108 61.340 61.340 59.710 1.630 17767 1293 1 2 . 1 1 108 108 VAL CB C 108 34.900 34.900 32.391 2.509 17767 1294 1 2 . 1 1 108 108 VAL H H 108 9.017 9.017 9.155 -0.138 17767 1295 1 2 . 1 1 109 109 GLU N N 109 128.300 128.300 126.085 2.215 17767 1296 1 2 . 1 1 109 109 GLU HA H 109 5.040 5.040 5.242 -0.202 17767 1297 1 2 . 1 1 109 109 GLU C C 109 174.410 174.410 175.352 -0.942 17767 1298 1 2 . 1 1 109 109 GLU CA C 109 54.440 54.440 54.166 0.274 17767 1299 1 2 . 1 1 109 109 GLU CB C 109 34.760 34.760 33.754 1.006 17767 1300 1 2 . 1 1 109 109 GLU H H 109 9.100 9.100 8.828 0.272 17767 1301 1 2 . 1 1 110 110 THR N N 110 120.760 120.760 119.059 1.701 17767 1302 1 2 . 1 1 110 110 THR HA H 110 4.850 4.850 4.937 -0.087 17767 1303 1 2 . 1 1 110 110 THR C C 110 174.900 174.900 173.710 1.190 17767 1304 1 2 . 1 1 110 110 THR CA C 110 61.980 61.980 62.111 -0.131 17767 1305 1 2 . 1 1 110 110 THR CB C 110 69.520 69.520 70.494 -0.974 17767 1306 1 2 . 1 1 110 110 THR H H 110 8.876 8.876 8.744 0.132 17767 1307 1 2 . 1 1 111 111 ILE N N 111 131.030 131.030 126.163 4.867 17767 1308 1 2 . 1 1 111 111 ILE HA H 111 5.240 5.240 4.559 0.681 17767 1309 1 2 . 1 1 111 111 ILE C C 111 174.600 174.600 175.059 -0.459 17767 1310 1 2 . 1 1 111 111 ILE CA C 111 60.310 60.310 58.995 1.315 17767 1311 1 2 . 1 1 111 111 ILE CB C 111 41.220 41.220 40.920 0.300 17767 1312 1 2 . 1 1 111 111 ILE H H 111 9.490 9.490 8.893 0.597 17767 1313 1 2 . 1 1 112 112 THR N N 112 122.800 122.800 116.803 5.997 17767 1314 1 2 . 1 1 112 112 THR HA H 112 5.960 5.960 4.962 0.998 17767 1315 1 2 . 1 1 112 112 THR C C 112 174.370 174.370 173.180 1.190 17767 1316 1 2 . 1 1 112 112 THR CA C 112 61.180 61.180 62.142 -0.962 17767 1317 1 2 . 1 1 112 112 THR CB C 112 71.250 71.250 70.554 0.696 17767 1318 1 2 . 1 1 112 112 THR H H 112 9.490 9.490 8.250 1.240 17767 1319 1 2 . 1 1 113 113 PHE N N 113 124.980 124.980 124.562 0.418 17767 1320 1 2 . 1 1 113 113 PHE HA H 113 4.820 4.820 4.651 0.169 17767 1321 1 2 . 1 1 113 113 PHE C C 113 175.700 175.700 175.665 0.035 17767 1322 1 2 . 1 1 113 113 PHE CA C 113 58.800 58.800 57.956 0.844 17767 1323 1 2 . 1 1 113 113 PHE CB C 113 43.480 43.480 43.003 0.477 17767 1324 1 2 . 1 1 113 113 PHE H H 113 9.000 9.000 8.609 0.391 17767 1325 1 2 . 1 1 114 114 GLY N N 114 116.550 116.550 111.172 5.378 17767 1326 1 2 . 1 1 114 114 GLY C C 114 175.300 175.300 174.670 0.630 17767 1327 1 2 . 1 1 114 114 GLY CA C 114 46.840 46.840 45.917 0.923 17767 1328 1 2 . 1 1 114 114 GLY H H 114 8.410 8.410 9.127 -0.717 17767 1329 1 2 . 1 1 115 115 GLY N N 115 105.640 105.640 106.560 -0.920 17767 1330 1 2 . 1 1 115 115 GLY C C 115 174.200 174.200 173.886 0.314 17767 1331 1 2 . 1 1 115 115 GLY CA C 115 44.890 44.890 44.984 -0.094 17767 1332 1 2 . 1 1 115 115 GLY H H 115 8.560 8.560 8.181 0.379 17767 1333 1 2 . 1 1 116 116 VAL N N 116 123.600 123.600 121.606 1.994 17767 1334 1 2 . 1 1 116 116 VAL HA H 116 4.310 4.310 4.261 0.049 17767 1335 1 2 . 1 1 116 116 VAL C C 116 174.640 174.640 174.730 -0.090 17767 1336 1 2 . 1 1 116 116 VAL CA C 116 62.250 62.250 60.830 1.420 17767 1337 1 2 . 1 1 116 116 VAL CB C 116 34.170 34.170 33.997 0.173 17767 1338 1 2 . 1 1 116 116 VAL H H 116 8.164 8.164 7.779 0.385 17767 1339 1 2 . 1 1 117 117 THR N N 117 123.270 123.270 123.998 -0.728 17767 1340 1 2 . 1 1 117 117 THR HA H 117 5.250 5.250 4.516 0.734 17767 1341 1 2 . 1 1 117 117 THR C C 117 173.800 173.800 173.406 0.394 17767 1342 1 2 . 1 1 117 117 THR CA C 117 61.900 61.900 61.742 0.158 17767 1343 1 2 . 1 1 117 117 THR CB C 117 70.450 70.450 68.289 2.161 17767 1344 1 2 . 1 1 117 117 THR H H 117 8.770 8.770 8.491 0.279 17767 1345 1 2 . 1 1 118 118 LEU N N 118 132.800 132.800 128.994 3.806 17767 1346 1 2 . 1 1 118 118 LEU HA H 118 4.880 4.880 4.928 -0.048 17767 1347 1 2 . 1 1 118 118 LEU C C 118 175.200 175.200 175.183 0.017 17767 1348 1 2 . 1 1 118 118 LEU CA C 118 53.570 53.570 53.903 -0.333 17767 1349 1 2 . 1 1 118 118 LEU CB C 118 44.730 44.730 43.151 1.579 17767 1350 1 2 . 1 1 118 118 LEU H H 118 9.700 9.700 7.422 2.278 17767 1351 1 2 . 1 1 119 119 ILE N N 119 124.980 124.980 127.919 -2.939 17767 1352 1 2 . 1 1 119 119 ILE HA H 119 5.240 5.240 4.439 0.801 17767 1353 1 2 . 1 1 119 119 ILE C C 119 175.900 175.900 174.795 1.105 17767 1354 1 2 . 1 1 119 119 ILE CA C 119 59.340 59.340 60.454 -1.114 17767 1355 1 2 . 1 1 119 119 ILE CB C 119 39.550 39.550 38.001 1.549 17767 1356 1 2 . 1 1 119 119 ILE H H 119 7.800 7.800 7.933 -0.133 17767 1357 1 2 . 1 1 120 120 ARG N N 120 126.110 126.110 125.562 0.548 17767 1358 1 2 . 1 1 120 120 ARG HA H 120 5.040 5.040 4.889 0.151 17767 1359 1 2 . 1 1 120 120 ARG C C 120 175.300 175.300 174.745 0.555 17767 1360 1 2 . 1 1 120 120 ARG CA C 120 54.990 54.990 54.160 0.830 17767 1361 1 2 . 1 1 120 120 ARG CB C 120 34.760 34.760 33.570 1.190 17767 1362 1 2 . 1 1 120 120 ARG H H 120 9.400 9.400 8.477 0.923 17767 1363 1 2 . 1 1 121 121 ARG N N 121 126.600 126.600 120.922 5.678 17767 1364 1 2 . 1 1 121 121 ARG HA H 121 5.350 5.350 4.682 0.668 17767 1365 1 2 . 1 1 121 121 ARG C C 121 175.020 175.020 174.573 0.447 17767 1366 1 2 . 1 1 121 121 ARG CA C 121 55.250 55.250 53.942 1.308 17767 1367 1 2 . 1 1 121 121 ARG CB C 121 31.830 31.830 32.968 -1.138 17767 1368 1 2 . 1 1 121 121 ARG H H 121 9.110 9.110 8.063 1.047 17767 1369 1 2 . 1 1 122 122 SER N N 122 118.200 118.200 116.168 2.032 17767 1370 1 2 . 1 1 122 122 SER HA H 122 5.730 5.730 5.585 0.145 17767 1371 1 2 . 1 1 122 122 SER C C 122 173.010 173.010 172.976 0.034 17767 1372 1 2 . 1 1 122 122 SER CA C 122 58.100 58.100 56.645 1.454 17767 1373 1 2 . 1 1 122 122 SER CB C 122 66.850 66.850 65.580 1.270 17767 1374 1 2 . 1 1 122 122 SER H H 122 9.290 9.290 8.693 0.597 17767 1375 1 2 . 1 1 123 123 LYS N N 123 120.480 120.480 123.544 -3.064 17767 1376 1 2 . 1 1 123 123 LYS HA H 123 5.780 5.780 5.313 0.467 17767 1377 1 2 . 1 1 123 123 LYS C C 123 175.600 175.600 175.567 0.033 17767 1378 1 2 . 1 1 123 123 LYS CA C 123 54.130 54.130 54.826 -0.696 17767 1379 1 2 . 1 1 123 123 LYS CB C 123 36.330 36.330 35.938 0.392 17767 1380 1 2 . 1 1 123 123 LYS H H 123 8.650 8.650 9.232 -0.582 17767 1381 1 2 . 1 1 124 124 ARG N N 124 124.980 124.980 124.725 0.255 17767 1382 1 2 . 1 1 124 124 ARG HA H 124 3.940 3.940 4.787 -0.847 17767 1383 1 2 . 1 1 124 124 ARG C C 124 176.500 176.500 176.087 0.413 17767 1384 1 2 . 1 1 124 124 ARG CA C 124 56.900 56.900 55.784 1.116 17767 1385 1 2 . 1 1 124 124 ARG CB C 124 30.380 30.380 31.502 -1.122 17767 1386 1 2 . 1 1 124 124 ARG H H 124 8.200 8.200 9.078 -0.878 17767 1387 1 3 . 1 1 2 2 PHE HA H 2 4.460 4.460 4.939 -0.479 17767 1388 1 3 . 1 1 2 2 PHE C C 2 175.900 175.900 176.692 -0.792 17767 1389 1 3 . 1 1 2 2 PHE CA C 2 61.170 61.170 58.541 2.629 17767 1390 1 3 . 1 1 2 2 PHE CB C 2 40.690 40.690 39.907 0.783 17767 1391 1 3 . 1 1 3 3 SER N N 3 111.380 111.380 115.679 -4.299 17767 1392 1 3 . 1 1 3 3 SER HA H 3 4.420 4.420 4.230 0.190 17767 1393 1 3 . 1 1 3 3 SER C C 3 174.700 174.700 174.635 0.065 17767 1394 1 3 . 1 1 3 3 SER CA C 3 60.000 60.000 59.757 0.243 17767 1395 1 3 . 1 1 3 3 SER CB C 3 64.140 64.140 62.267 1.873 17767 1396 1 3 . 1 1 3 3 SER H H 3 7.968 7.968 8.151 -0.183 17767 1397 1 3 . 1 1 4 4 GLY N N 4 111.480 111.480 112.175 -0.695 17767 1398 1 3 . 1 1 4 4 GLY C C 4 171.800 171.800 171.775 0.025 17767 1399 1 3 . 1 1 4 4 GLY CA C 4 44.150 44.150 45.503 -1.353 17767 1400 1 3 . 1 1 4 4 GLY H H 4 9.080 9.080 8.449 0.631 17767 1401 1 3 . 1 1 5 5 THR N N 5 117.770 117.770 113.146 4.624 17767 1402 1 3 . 1 1 5 5 THR HA H 5 4.980 4.980 5.103 -0.123 17767 1403 1 3 . 1 1 5 5 THR C C 5 173.190 173.190 173.049 0.141 17767 1404 1 3 . 1 1 5 5 THR CA C 5 62.930 62.930 60.234 2.696 17767 1405 1 3 . 1 1 5 5 THR CB C 5 69.310 69.310 70.711 -1.401 17767 1406 1 3 . 1 1 5 5 THR H H 5 8.270 8.270 7.886 0.384 17767 1407 1 3 . 1 1 6 6 TRP N N 6 127.500 127.500 125.804 1.696 17767 1408 1 3 . 1 1 6 6 TRP HA H 6 5.130 5.130 5.251 -0.121 17767 1409 1 3 . 1 1 6 6 TRP CA C 6 55.300 55.300 55.415 -0.115 17767 1410 1 3 . 1 1 6 6 TRP CB C 6 32.290 32.290 31.275 1.015 17767 1411 1 3 . 1 1 6 6 TRP H H 6 9.560 9.560 8.929 0.631 17767 1412 1 3 . 1 1 7 7 GLN HA H 7 4.970 4.970 4.781 0.189 17767 1413 1 3 . 1 1 7 7 GLN C C 7 175.900 175.900 174.613 1.287 17767 1414 1 3 . 1 1 7 7 GLN CA C 7 54.720 54.720 54.522 0.198 17767 1415 1 3 . 1 1 7 7 GLN CB C 7 32.400 32.400 30.432 1.968 17767 1416 1 3 . 1 1 8 8 VAL N N 8 131.400 131.400 127.812 3.588 17767 1417 1 3 . 1 1 8 8 VAL HA H 8 4.450 4.450 5.066 -0.616 17767 1418 1 3 . 1 1 8 8 VAL CA C 8 63.500 63.500 60.485 3.015 17767 1419 1 3 . 1 1 8 8 VAL CB C 8 32.300 32.300 34.003 -1.703 17767 1420 1 3 . 1 1 8 8 VAL H H 8 8.270 8.270 8.659 -0.389 17767 1421 1 3 . 1 1 9 9 TYR N N 9 123.300 123.300 122.841 0.459 17767 1422 1 3 . 1 1 9 9 TYR HA H 9 5.140 5.140 4.861 0.279 17767 1423 1 3 . 1 1 9 9 TYR C C 9 174.600 174.600 173.156 1.444 17767 1424 1 3 . 1 1 9 9 TYR CA C 9 56.600 56.600 56.120 0.480 17767 1425 1 3 . 1 1 9 9 TYR CB C 9 40.880 40.880 40.198 0.682 17767 1426 1 3 . 1 1 9 9 TYR H H 9 9.570 9.570 9.290 0.280 17767 1427 1 3 . 1 1 10 10 ALA N N 10 125.800 125.800 125.858 -0.058 17767 1428 1 3 . 1 1 10 10 ALA HA H 10 4.680 4.680 4.297 0.383 17767 1429 1 3 . 1 1 10 10 ALA C C 10 175.200 175.200 175.777 -0.577 17767 1430 1 3 . 1 1 10 10 ALA CA C 10 51.780 51.780 52.403 -0.623 17767 1431 1 3 . 1 1 10 10 ALA CB C 10 22.070 22.070 20.823 1.247 17767 1432 1 3 . 1 1 10 10 ALA H H 10 7.330 7.330 8.117 -0.787 17767 1433 1 3 . 1 1 11 11 GLN N N 11 118.300 118.300 120.607 -2.307 17767 1434 1 3 . 1 1 11 11 GLN HA H 11 5.370 5.370 4.523 0.847 17767 1435 1 3 . 1 1 11 11 GLN C C 11 174.700 174.700 176.229 -1.529 17767 1436 1 3 . 1 1 11 11 GLN CA C 11 54.460 54.460 55.309 -0.849 17767 1437 1 3 . 1 1 11 11 GLN CB C 11 32.870 32.870 28.920 3.950 17767 1438 1 3 . 1 1 11 11 GLN H H 11 8.700 8.700 8.663 0.037 17767 1439 1 3 . 1 1 12 12 GLU N N 12 123.800 123.800 119.508 4.292 17767 1440 1 3 . 1 1 12 12 GLU HA H 12 4.600 4.600 4.409 0.191 17767 1441 1 3 . 1 1 12 12 GLU C C 12 175.700 175.700 176.978 -1.278 17767 1442 1 3 . 1 1 12 12 GLU CA C 12 55.300 55.300 55.276 0.024 17767 1443 1 3 . 1 1 12 12 GLU CB C 12 31.760 31.760 30.384 1.375 17767 1444 1 3 . 1 1 12 12 GLU H H 12 9.130 9.130 8.372 0.758 17767 1445 1 3 . 1 1 13 13 ASN N N 13 117.550 117.550 120.036 -2.486 17767 1446 1 3 . 1 1 13 13 ASN HA H 13 4.790 4.790 4.687 0.103 17767 1447 1 3 . 1 1 13 13 ASN C C 13 175.600 175.600 175.105 0.495 17767 1448 1 3 . 1 1 13 13 ASN CA C 13 54.100 54.100 53.432 0.668 17767 1449 1 3 . 1 1 13 13 ASN CB C 13 37.100 37.100 36.679 0.421 17767 1450 1 3 . 1 1 13 13 ASN H H 13 9.130 9.130 8.921 0.209 17767 1451 1 3 . 1 1 14 14 TYR N N 14 118.280 118.280 124.081 -5.801 17767 1452 1 3 . 1 1 14 14 TYR HA H 14 4.360 4.360 4.332 0.028 17767 1453 1 3 . 1 1 14 14 TYR C C 14 176.500 176.500 176.406 0.094 17767 1454 1 3 . 1 1 14 14 TYR CA C 14 60.590 60.590 62.370 -1.780 17767 1455 1 3 . 1 1 14 14 TYR CB C 14 39.450 39.450 39.480 -0.029 17767 1456 1 3 . 1 1 14 14 TYR H H 14 7.900 7.900 8.728 -0.828 17767 1457 1 3 . 1 1 15 15 GLU N N 15 118.600 118.600 118.590 0.010 17767 1458 1 3 . 1 1 15 15 GLU HA H 15 3.550 3.550 4.031 -0.481 17767 1459 1 3 . 1 1 15 15 GLU C C 15 178.500 178.500 178.419 0.081 17767 1460 1 3 . 1 1 15 15 GLU CA C 15 61.170 61.170 59.681 1.490 17767 1461 1 3 . 1 1 15 15 GLU CB C 15 28.700 28.700 28.750 -0.050 17767 1462 1 3 . 1 1 15 15 GLU H H 15 8.960 8.960 9.101 -0.141 17767 1463 1 3 . 1 1 16 16 GLU N N 16 118.800 118.800 119.447 -0.647 17767 1464 1 3 . 1 1 16 16 GLU HA H 16 3.880 3.880 4.131 -0.251 17767 1465 1 3 . 1 1 16 16 GLU C C 16 178.600 178.600 178.294 0.306 17767 1466 1 3 . 1 1 16 16 GLU CA C 16 60.300 60.300 58.633 1.667 17767 1467 1 3 . 1 1 16 16 GLU CB C 16 28.600 28.600 29.619 -1.019 17767 1468 1 3 . 1 1 16 16 GLU H H 16 9.090 9.090 8.463 0.627 17767 1469 1 3 . 1 1 17 17 PHE N N 17 124.200 124.200 120.004 4.196 17767 1470 1 3 . 1 1 17 17 PHE HA H 17 3.960 3.960 4.263 -0.303 17767 1471 1 3 . 1 1 17 17 PHE C C 17 176.400 176.400 177.542 -1.142 17767 1472 1 3 . 1 1 17 17 PHE CA C 17 62.350 62.350 59.336 3.014 17767 1473 1 3 . 1 1 17 17 PHE CB C 17 40.380 40.380 38.804 1.576 17767 1474 1 3 . 1 1 17 17 PHE H H 17 8.410 8.410 7.441 0.969 17767 1475 1 3 . 1 1 18 18 LEU N N 18 116.400 116.400 119.739 -3.339 17767 1476 1 3 . 1 1 18 18 LEU HA H 18 3.780 3.780 3.483 0.297 17767 1477 1 3 . 1 1 18 18 LEU C C 18 178.800 178.800 178.400 0.400 17767 1478 1 3 . 1 1 18 18 LEU CA C 18 58.240 58.240 57.949 0.291 17767 1479 1 3 . 1 1 18 18 LEU CB C 18 41.220 41.220 41.077 0.143 17767 1480 1 3 . 1 1 18 18 LEU H H 18 8.200 8.200 7.903 0.297 17767 1481 1 3 . 1 1 19 19 LYS N N 19 116.590 116.590 116.302 0.288 17767 1482 1 3 . 1 1 19 19 LYS HA H 19 4.040 4.040 4.087 -0.047 17767 1483 1 3 . 1 1 19 19 LYS C C 19 179.800 179.800 179.010 0.790 17767 1484 1 3 . 1 1 19 19 LYS CA C 19 58.820 58.820 58.735 0.085 17767 1485 1 3 . 1 1 19 19 LYS CB C 19 32.150 32.150 31.939 0.211 17767 1486 1 3 . 1 1 19 19 LYS H H 19 7.790 7.790 7.662 0.128 17767 1487 1 3 . 1 1 20 20 ALA N N 20 126.110 126.110 121.323 4.787 17767 1488 1 3 . 1 1 20 20 ALA HA H 20 4.160 4.160 4.288 -0.128 17767 1489 1 3 . 1 1 20 20 ALA C C 20 178.600 178.600 178.053 0.547 17767 1490 1 3 . 1 1 20 20 ALA CA C 20 55.300 55.300 53.824 1.476 17767 1491 1 3 . 1 1 20 20 ALA CB C 20 17.700 17.700 18.842 -1.142 17767 1492 1 3 . 1 1 20 20 ALA H H 20 7.990 7.990 7.539 0.451 17767 1493 1 3 . 1 1 21 21 LEU N N 21 117.110 117.110 116.781 0.329 17767 1494 1 3 . 1 1 21 21 LEU HA H 21 3.688 3.688 4.382 -0.694 17767 1495 1 3 . 1 1 21 21 LEU C C 21 176.100 176.100 176.013 0.087 17767 1496 1 3 . 1 1 21 21 LEU CA C 21 55.400 55.400 53.897 1.503 17767 1497 1 3 . 1 1 21 21 LEU CB C 21 42.700 42.700 41.857 0.843 17767 1498 1 3 . 1 1 21 21 LEU H H 21 7.380 7.380 7.113 0.267 17767 1499 1 3 . 1 1 22 22 ALA N N 22 118.800 118.800 119.404 -0.604 17767 1500 1 3 . 1 1 22 22 ALA HA H 22 3.985 3.985 3.937 0.048 17767 1501 1 3 . 1 1 22 22 ALA C C 22 177.000 177.000 176.767 0.233 17767 1502 1 3 . 1 1 22 22 ALA CA C 22 52.370 52.370 52.581 -0.211 17767 1503 1 3 . 1 1 22 22 ALA CB C 22 15.960 15.960 16.701 -0.741 17767 1504 1 3 . 1 1 22 22 ALA H H 22 7.920 7.920 7.319 0.601 17767 1505 1 3 . 1 1 23 23 LEU N N 23 118.470 118.470 119.628 -1.158 17767 1506 1 3 . 1 1 23 23 LEU HA H 23 4.425 4.425 4.362 0.063 17767 1507 1 3 . 1 1 23 23 LEU C C 23 174.500 174.500 174.878 -0.378 17767 1508 1 3 . 1 1 23 23 LEU CA C 23 54.130 54.130 52.836 1.294 17767 1509 1 3 . 1 1 23 23 LEU CB C 23 41.220 41.220 42.153 -0.933 17767 1510 1 3 . 1 1 23 23 LEU H H 23 6.950 6.950 7.383 -0.433 17767 1511 1 3 . 1 1 24 24 PRO HA H 24 4.475 4.475 4.476 -0.001 17767 1512 1 3 . 1 1 24 24 PRO C C 24 177.500 177.500 177.335 0.165 17767 1513 1 3 . 1 1 24 24 PRO CA C 24 62.940 62.940 62.723 0.217 17767 1514 1 3 . 1 1 24 24 PRO CB C 24 32.600 32.600 32.440 0.160 17767 1515 1 3 . 1 1 25 25 GLU N N 25 122.500 122.500 123.612 -1.112 17767 1516 1 3 . 1 1 25 25 GLU HA H 25 3.860 3.860 3.876 -0.016 17767 1517 1 3 . 1 1 25 25 GLU C C 25 177.900 177.900 178.333 -0.433 17767 1518 1 3 . 1 1 25 25 GLU CA C 25 60.100 60.100 59.698 0.402 17767 1519 1 3 . 1 1 25 25 GLU CB C 25 29.690 29.690 29.407 0.283 17767 1520 1 3 . 1 1 25 25 GLU H H 25 8.840 8.840 8.969 -0.129 17767 1521 1 3 . 1 1 26 26 ASP N N 26 117.110 117.110 119.136 -2.026 17767 1522 1 3 . 1 1 26 26 ASP HA H 26 4.360 4.360 4.430 -0.070 17767 1523 1 3 . 1 1 26 26 ASP C C 26 177.900 177.900 178.827 -0.927 17767 1524 1 3 . 1 1 26 26 ASP CA C 26 57.080 57.080 57.017 0.063 17767 1525 1 3 . 1 1 26 26 ASP CB C 26 40.040 40.040 40.461 -0.421 17767 1526 1 3 . 1 1 26 26 ASP H H 26 8.920 8.920 8.314 0.606 17767 1527 1 3 . 1 1 27 27 LEU N N 27 121.990 121.990 121.512 0.478 17767 1528 1 3 . 1 1 27 27 LEU HA H 27 4.270 4.270 4.126 0.144 17767 1529 1 3 . 1 1 27 27 LEU C C 27 178.070 178.070 178.504 -0.434 17767 1530 1 3 . 1 1 27 27 LEU CA C 27 57.650 57.650 57.189 0.461 17767 1531 1 3 . 1 1 27 27 LEU CB C 27 42.230 42.230 42.255 -0.025 17767 1532 1 3 . 1 1 27 27 LEU H H 27 7.220 7.220 7.500 -0.280 17767 1533 1 3 . 1 1 28 28 ILE N N 28 120.350 120.350 118.251 2.099 17767 1534 1 3 . 1 1 28 28 ILE HA H 28 3.317 3.317 3.646 -0.329 17767 1535 1 3 . 1 1 28 28 ILE C C 28 177.400 177.400 177.865 -0.465 17767 1536 1 3 . 1 1 28 28 ILE CA C 28 67.040 67.040 64.824 2.216 17767 1537 1 3 . 1 1 28 28 ILE CB C 28 37.110 37.110 37.390 -0.280 17767 1538 1 3 . 1 1 28 28 ILE H H 28 7.900 7.900 8.051 -0.151 17767 1539 1 3 . 1 1 29 29 LYS N N 29 117.110 117.110 118.528 -1.418 17767 1540 1 3 . 1 1 29 29 LYS HA H 29 3.947 3.947 4.240 -0.293 17767 1541 1 3 . 1 1 29 29 LYS C C 29 178.900 178.900 177.683 1.217 17767 1542 1 3 . 1 1 29 29 LYS CA C 29 60.000 60.000 58.640 1.360 17767 1543 1 3 . 1 1 29 29 LYS CB C 29 32.390 32.390 32.890 -0.500 17767 1544 1 3 . 1 1 29 29 LYS H H 29 7.850 7.850 7.731 0.119 17767 1545 1 3 . 1 1 30 30 MET N N 30 117.110 117.110 117.546 -0.436 17767 1546 1 3 . 1 1 30 30 MET HA H 30 4.320 4.320 4.433 -0.113 17767 1547 1 3 . 1 1 30 30 MET C C 30 177.500 177.500 178.385 -0.885 17767 1548 1 3 . 1 1 30 30 MET CA C 30 57.650 57.650 57.891 -0.241 17767 1549 1 3 . 1 1 30 30 MET CB C 30 32.970 32.970 33.308 -0.338 17767 1550 1 3 . 1 1 30 30 MET H H 30 7.450 7.450 7.430 0.020 17767 1551 1 3 . 1 1 31 31 ALA N N 31 120.480 120.480 122.096 -1.616 17767 1552 1 3 . 1 1 31 31 ALA HA H 31 4.270 4.270 4.084 0.186 17767 1553 1 3 . 1 1 31 31 ALA CA C 31 53.545 53.545 55.195 -1.650 17767 1554 1 3 . 1 1 31 31 ALA CB C 31 19.290 19.290 18.463 0.827 17767 1555 1 3 . 1 1 31 31 ALA H H 31 8.420 8.420 8.799 -0.379 17767 1556 1 3 . 1 1 32 32 ARG N N 32 122.170 122.170 115.600 6.570 17767 1557 1 3 . 1 1 32 32 ARG HA H 32 4.109 4.109 3.861 0.248 17767 1558 1 3 . 1 1 32 32 ARG C C 32 176.500 176.500 176.976 -0.476 17767 1559 1 3 . 1 1 32 32 ARG CA C 32 61.170 61.170 58.387 2.783 17767 1560 1 3 . 1 1 32 32 ARG CB C 32 30.600 30.600 29.834 0.766 17767 1561 1 3 . 1 1 32 32 ARG H H 32 7.770 7.770 7.925 -0.155 17767 1562 1 3 . 1 1 33 33 ASP N N 33 116.550 116.550 119.059 -2.509 17767 1563 1 3 . 1 1 33 33 ASP HA H 33 4.920 4.920 4.624 0.296 17767 1564 1 3 . 1 1 33 33 ASP C C 33 175.900 175.900 175.941 -0.041 17767 1565 1 3 . 1 1 33 33 ASP CA C 33 54.130 54.130 54.567 -0.437 17767 1566 1 3 . 1 1 33 33 ASP CB C 33 41.760 41.760 42.537 -0.777 17767 1567 1 3 . 1 1 33 33 ASP H H 33 8.330 8.330 7.905 0.425 17767 1568 1 3 . 1 1 34 34 ILE N N 34 120.060 120.060 122.223 -2.163 17767 1569 1 3 . 1 1 34 34 ILE HA H 34 4.120 4.120 3.958 0.162 17767 1570 1 3 . 1 1 34 34 ILE C C 34 176.100 176.100 174.675 1.425 17767 1571 1 3 . 1 1 34 34 ILE CA C 34 61.170 61.170 62.342 -1.172 17767 1572 1 3 . 1 1 34 34 ILE CB C 34 37.860 37.860 36.992 0.868 17767 1573 1 3 . 1 1 34 34 ILE H H 34 7.240 7.240 7.576 -0.336 17767 1574 1 3 . 1 1 35 35 LYS N N 35 131.170 131.170 126.492 4.678 17767 1575 1 3 . 1 1 35 35 LYS HA H 35 4.700 4.700 4.837 -0.137 17767 1576 1 3 . 1 1 35 35 LYS C C 35 173.700 173.700 174.459 -0.759 17767 1577 1 3 . 1 1 35 35 LYS CA C 35 52.970 52.970 53.985 -1.015 17767 1578 1 3 . 1 1 35 35 LYS CB C 35 32.750 32.750 32.304 0.445 17767 1579 1 3 . 1 1 35 35 LYS H H 35 8.980 8.980 8.118 0.862 17767 1580 1 3 . 1 1 36 36 PRO HA H 36 4.510 4.510 4.505 0.005 17767 1581 1 3 . 1 1 36 36 PRO CA C 36 63.523 63.523 62.283 1.240 17767 1582 1 3 . 1 1 36 36 PRO CB C 36 32.840 32.840 33.697 -0.856 17767 1583 1 3 . 1 1 37 37 ILE HA H 37 4.920 4.920 4.226 0.694 17767 1584 1 3 . 1 1 37 37 ILE C C 37 175.500 175.500 175.332 0.168 17767 1585 1 3 . 1 1 37 37 ILE CA C 37 60.588 60.588 59.840 0.749 17767 1586 1 3 . 1 1 37 37 ILE CB C 37 40.630 40.630 39.349 1.281 17767 1587 1 3 . 1 1 38 38 VAL N N 38 129.000 129.000 129.609 -0.609 17767 1588 1 3 . 1 1 38 38 VAL HA H 38 5.120 5.120 4.180 0.940 17767 1589 1 3 . 1 1 38 38 VAL C C 38 175.100 175.100 174.941 0.159 17767 1590 1 3 . 1 1 38 38 VAL CA C 38 61.176 61.176 62.243 -1.067 17767 1591 1 3 . 1 1 38 38 VAL CB C 38 34.850 34.850 32.001 2.849 17767 1592 1 3 . 1 1 38 38 VAL H H 38 9.540 9.540 9.098 0.442 17767 1593 1 3 . 1 1 39 39 GLU N N 39 128.350 128.350 129.346 -0.996 17767 1594 1 3 . 1 1 39 39 GLU HA H 39 5.440 5.440 4.604 0.836 17767 1595 1 3 . 1 1 39 39 GLU C C 39 176.000 176.000 174.699 1.301 17767 1596 1 3 . 1 1 39 39 GLU CA C 39 54.720 54.720 56.588 -1.868 17767 1597 1 3 . 1 1 39 39 GLU CB C 39 32.410 32.410 31.123 1.287 17767 1598 1 3 . 1 1 39 39 GLU H H 39 9.590 9.590 8.269 1.321 17767 1599 1 3 . 1 1 40 40 ILE N N 40 126.110 126.110 125.876 0.234 17767 1600 1 3 . 1 1 40 40 ILE HA H 40 5.050 5.050 5.140 -0.090 17767 1601 1 3 . 1 1 40 40 ILE C C 40 175.800 175.800 173.225 2.575 17767 1602 1 3 . 1 1 40 40 ILE CA C 40 61.330 61.330 58.799 2.531 17767 1603 1 3 . 1 1 40 40 ILE CB C 40 40.160 40.160 42.228 -2.068 17767 1604 1 3 . 1 1 40 40 ILE H H 40 9.630 9.630 8.354 1.276 17767 1605 1 3 . 1 1 41 41 GLN N N 41 128.360 128.360 126.454 1.906 17767 1606 1 3 . 1 1 41 41 GLN HA H 41 4.720 4.720 4.800 -0.080 17767 1607 1 3 . 1 1 41 41 GLN C C 41 173.900 173.900 173.138 0.762 17767 1608 1 3 . 1 1 41 41 GLN CA C 41 54.940 54.940 54.181 0.759 17767 1609 1 3 . 1 1 41 41 GLN CB C 41 31.820 31.820 32.241 -0.421 17767 1610 1 3 . 1 1 41 41 GLN H H 41 9.270 9.270 8.709 0.561 17767 1611 1 3 . 1 1 42 42 GLN N N 42 126.110 126.110 121.484 4.626 17767 1612 1 3 . 1 1 42 42 GLN HA H 42 4.380 4.380 4.690 -0.310 17767 1613 1 3 . 1 1 42 42 GLN C C 42 174.700 174.700 174.787 -0.087 17767 1614 1 3 . 1 1 42 42 GLN CA C 42 54.150 54.150 53.967 0.183 17767 1615 1 3 . 1 1 42 42 GLN CB C 42 30.000 30.000 31.464 -1.464 17767 1616 1 3 . 1 1 42 42 GLN H H 42 8.250 8.250 8.336 -0.086 17767 1617 1 3 . 1 1 43 43 LYS N N 43 130.610 130.610 119.434 11.176 17767 1618 1 3 . 1 1 43 43 LYS HA H 43 4.460 4.460 4.523 -0.063 17767 1619 1 3 . 1 1 43 43 LYS C C 43 176.030 176.030 175.479 0.551 17767 1620 1 3 . 1 1 43 43 LYS CA C 43 55.306 55.306 55.309 -0.004 17767 1621 1 3 . 1 1 43 43 LYS CB C 43 33.270 33.270 33.417 -0.147 17767 1622 1 3 . 1 1 43 43 LYS H H 43 8.820 8.820 8.278 0.542 17767 1623 1 3 . 1 1 44 44 GLY N N 44 117.110 117.110 108.431 8.679 17767 1624 1 3 . 1 1 44 44 GLY C C 44 174.300 174.300 173.472 0.828 17767 1625 1 3 . 1 1 44 44 GLY CA C 44 47.480 47.480 45.172 2.308 17767 1626 1 3 . 1 1 44 44 GLY H H 44 8.940 8.940 7.939 1.001 17767 1627 1 3 . 1 1 45 45 ASP N N 45 127.799 127.799 122.284 5.515 17767 1628 1 3 . 1 1 45 45 ASP HA H 45 4.870 4.870 5.015 -0.145 17767 1629 1 3 . 1 1 45 45 ASP C C 45 174.700 174.700 175.373 -0.673 17767 1630 1 3 . 1 1 45 45 ASP CA C 45 54.719 54.719 54.971 -0.251 17767 1631 1 3 . 1 1 45 45 ASP CB C 45 41.270 41.270 41.882 -0.612 17767 1632 1 3 . 1 1 45 45 ASP H H 45 8.870 8.870 8.601 0.269 17767 1633 1 3 . 1 1 46 46 ASP N N 46 120.480 120.480 119.052 1.428 17767 1634 1 3 . 1 1 46 46 ASP HA H 46 5.230 5.230 5.258 -0.028 17767 1635 1 3 . 1 1 46 46 ASP C C 46 175.070 175.070 175.223 -0.153 17767 1636 1 3 . 1 1 46 46 ASP CA C 46 54.132 54.132 53.830 0.303 17767 1637 1 3 . 1 1 46 46 ASP CB C 46 41.570 41.570 41.464 0.106 17767 1638 1 3 . 1 1 46 46 ASP H H 46 8.060 8.060 7.889 0.171 17767 1639 1 3 . 1 1 47 47 PHE N N 47 122.730 122.730 119.385 3.345 17767 1640 1 3 . 1 1 47 47 PHE HA H 47 5.090 5.090 4.906 0.184 17767 1641 1 3 . 1 1 47 47 PHE C C 47 176.400 176.400 174.753 1.647 17767 1642 1 3 . 1 1 47 47 PHE CA C 47 56.420 56.420 55.671 0.749 17767 1643 1 3 . 1 1 47 47 PHE CB C 47 44.150 44.150 43.042 1.108 17767 1644 1 3 . 1 1 47 47 PHE H H 47 9.296 9.296 9.000 0.296 17767 1645 1 3 . 1 1 48 48 VAL N N 48 121.690 121.690 121.351 0.339 17767 1646 1 3 . 1 1 48 48 VAL HA H 48 4.500 4.500 4.374 0.126 17767 1647 1 3 . 1 1 48 48 VAL C C 48 175.700 175.700 174.512 1.188 17767 1648 1 3 . 1 1 48 48 VAL CA C 48 62.930 62.930 61.641 1.289 17767 1649 1 3 . 1 1 48 48 VAL CB C 48 34.670 34.670 33.607 1.063 17767 1650 1 3 . 1 1 48 48 VAL H H 48 8.520 8.520 9.028 -0.508 17767 1651 1 3 . 1 1 49 49 VAL N N 49 127.200 127.200 129.203 -2.003 17767 1652 1 3 . 1 1 49 49 VAL HA H 49 5.250 5.250 4.414 0.836 17767 1653 1 3 . 1 1 49 49 VAL C C 49 175.700 175.700 175.177 0.523 17767 1654 1 3 . 1 1 49 49 VAL CA C 49 61.180 61.180 62.179 -0.999 17767 1655 1 3 . 1 1 49 49 VAL CB C 49 34.660 34.660 32.869 1.791 17767 1656 1 3 . 1 1 49 49 VAL H H 49 9.330 9.330 9.271 0.059 17767 1657 1 3 . 1 1 50 50 THR N N 50 128.500 128.500 126.738 1.762 17767 1658 1 3 . 1 1 50 50 THR HA H 50 5.430 5.430 5.186 0.244 17767 1659 1 3 . 1 1 50 50 THR C C 50 173.810 173.810 173.556 0.254 17767 1660 1 3 . 1 1 50 50 THR CA C 50 61.530 61.530 61.196 0.334 17767 1661 1 3 . 1 1 50 50 THR CB C 50 70.760 70.760 69.622 1.138 17767 1662 1 3 . 1 1 50 50 THR H H 50 9.730 9.730 9.469 0.261 17767 1663 1 3 . 1 1 51 51 SER N N 51 122.730 122.730 123.297 -0.567 17767 1664 1 3 . 1 1 51 51 SER HA H 51 5.430 5.430 4.945 0.485 17767 1665 1 3 . 1 1 51 51 SER C C 51 173.800 173.800 174.149 -0.349 17767 1666 1 3 . 1 1 51 51 SER CA C 51 57.060 57.060 57.014 0.047 17767 1667 1 3 . 1 1 51 51 SER CB C 51 64.550 64.550 64.396 0.154 17767 1668 1 3 . 1 1 51 51 SER H H 51 9.190 9.190 8.482 0.708 17767 1669 1 3 . 1 1 52 52 LYS N N 52 125.550 125.550 126.761 -1.211 17767 1670 1 3 . 1 1 52 52 LYS HA H 52 5.310 5.310 4.411 0.899 17767 1671 1 3 . 1 1 52 52 LYS C C 52 175.900 175.900 175.592 0.308 17767 1672 1 3 . 1 1 52 52 LYS CA C 52 56.120 56.120 56.670 -0.550 17767 1673 1 3 . 1 1 52 52 LYS CB C 52 36.130 36.130 33.509 2.621 17767 1674 1 3 . 1 1 52 52 LYS H H 52 9.490 9.490 8.674 0.816 17767 1675 1 3 . 1 1 53 53 THR N N 53 115.980 115.980 112.885 3.095 17767 1676 1 3 . 1 1 53 53 THR HA H 53 5.024 5.024 4.779 0.245 17767 1677 1 3 . 1 1 53 53 THR C C 53 173.400 173.400 173.330 0.070 17767 1678 1 3 . 1 1 53 53 THR CA C 53 59.140 59.140 58.183 0.957 17767 1679 1 3 . 1 1 53 53 THR CB C 53 69.300 69.300 70.909 -1.609 17767 1680 1 3 . 1 1 53 53 THR H H 53 8.760 8.760 8.034 0.726 17767 1681 1 3 . 1 1 54 54 PRO HA H 54 4.350 4.350 4.380 -0.030 17767 1682 1 3 . 1 1 54 54 PRO C C 54 177.200 177.200 176.940 0.260 17767 1683 1 3 . 1 1 54 54 PRO CA C 54 66.458 66.458 64.425 2.033 17767 1684 1 3 . 1 1 54 54 PRO CB C 54 32.400 32.400 32.038 0.363 17767 1685 1 3 . 1 1 55 55 ARG N N 55 111.480 111.480 117.944 -6.464 17767 1686 1 3 . 1 1 55 55 ARG HA H 55 4.510 4.510 4.512 -0.002 17767 1687 1 3 . 1 1 55 55 ARG C C 55 175.800 175.800 176.581 -0.781 17767 1688 1 3 . 1 1 55 55 ARG CA C 55 55.893 55.893 56.619 -0.726 17767 1689 1 3 . 1 1 55 55 ARG CB C 55 32.520 32.520 32.129 0.391 17767 1690 1 3 . 1 1 55 55 ARG H H 55 8.010 8.010 7.734 0.276 17767 1691 1 3 . 1 1 56 56 GLN N N 56 118.230 118.230 117.426 0.804 17767 1692 1 3 . 1 1 56 56 GLN HA H 56 4.830 4.830 4.524 0.306 17767 1693 1 3 . 1 1 56 56 GLN C C 56 174.200 174.200 174.226 -0.026 17767 1694 1 3 . 1 1 56 56 GLN CA C 56 55.610 55.610 55.344 0.266 17767 1695 1 3 . 1 1 56 56 GLN CB C 56 32.880 32.880 31.845 1.035 17767 1696 1 3 . 1 1 56 56 GLN H H 56 7.530 7.530 8.222 -0.692 17767 1697 1 3 . 1 1 57 57 THR N N 57 120.480 120.480 119.920 0.560 17767 1698 1 3 . 1 1 57 57 THR HA H 57 5.330 5.330 4.646 0.684 17767 1699 1 3 . 1 1 57 57 THR C C 57 174.000 174.000 175.153 -1.153 17767 1700 1 3 . 1 1 57 57 THR CA C 57 61.760 61.760 62.964 -1.204 17767 1701 1 3 . 1 1 57 57 THR CB C 57 71.500 71.500 69.476 2.024 17767 1702 1 3 . 1 1 57 57 THR H H 57 8.610 8.610 8.418 0.192 17767 1703 1 3 . 1 1 58 58 VAL N N 58 125.200 125.200 124.414 0.786 17767 1704 1 3 . 1 1 58 58 VAL HA H 58 4.540 4.540 4.650 -0.110 17767 1705 1 3 . 1 1 58 58 VAL C C 58 174.400 174.400 174.273 0.127 17767 1706 1 3 . 1 1 58 58 VAL CA C 58 61.170 61.170 59.718 1.452 17767 1707 1 3 . 1 1 58 58 VAL CB C 58 35.560 35.560 34.989 0.571 17767 1708 1 3 . 1 1 58 58 VAL H H 58 8.830 8.830 8.844 -0.014 17767 1709 1 3 . 1 1 59 59 THR N N 59 125.500 125.500 118.548 6.952 17767 1710 1 3 . 1 1 59 59 THR HA H 59 5.260 5.260 5.064 0.196 17767 1711 1 3 . 1 1 59 59 THR C C 59 173.400 173.400 173.804 -0.404 17767 1712 1 3 . 1 1 59 59 THR CA C 59 61.980 61.980 61.529 0.451 17767 1713 1 3 . 1 1 59 59 THR CB C 59 71.150 71.150 70.395 0.755 17767 1714 1 3 . 1 1 59 59 THR H H 59 8.870 8.870 8.229 0.641 17767 1715 1 3 . 1 1 60 60 ASN N N 60 124.700 124.700 126.121 -1.421 17767 1716 1 3 . 1 1 60 60 ASN HA H 60 5.270 5.270 5.114 0.156 17767 1717 1 3 . 1 1 60 60 ASN C C 60 173.300 173.300 173.883 -0.583 17767 1718 1 3 . 1 1 60 60 ASN CA C 60 53.000 53.000 52.578 0.422 17767 1719 1 3 . 1 1 60 60 ASN CB C 60 44.700 44.700 41.664 3.036 17767 1720 1 3 . 1 1 60 60 ASN H H 60 9.180 9.180 9.155 0.025 17767 1721 1 3 . 1 1 61 61 SER N N 61 115.980 115.980 118.921 -2.941 17767 1722 1 3 . 1 1 61 61 SER HA H 61 5.430 5.430 5.434 -0.004 17767 1723 1 3 . 1 1 61 61 SER C C 61 173.300 173.300 173.461 -0.161 17767 1724 1 3 . 1 1 61 61 SER CA C 61 57.060 57.060 56.994 0.066 17767 1725 1 3 . 1 1 61 61 SER CB C 61 65.590 65.590 66.110 -0.520 17767 1726 1 3 . 1 1 61 61 SER H H 61 8.840 8.840 8.737 0.103 17767 1727 1 3 . 1 1 62 62 PHE N N 62 117.670 117.670 116.883 0.787 17767 1728 1 3 . 1 1 62 62 PHE HA H 62 5.020 5.020 5.105 -0.085 17767 1729 1 3 . 1 1 62 62 PHE C C 62 173.100 173.100 173.413 -0.313 17767 1730 1 3 . 1 1 62 62 PHE CA C 62 56.590 56.590 56.617 -0.027 17767 1731 1 3 . 1 1 62 62 PHE CB C 62 40.030 40.030 40.301 -0.271 17767 1732 1 3 . 1 1 62 62 PHE H H 62 8.235 8.235 8.551 -0.316 17767 1733 1 3 . 1 1 63 63 THR N N 63 119.920 119.920 115.421 4.499 17767 1734 1 3 . 1 1 63 63 THR HA H 63 5.500 5.500 5.085 0.415 17767 1735 1 3 . 1 1 63 63 THR C C 63 175.600 175.600 174.276 1.324 17767 1736 1 3 . 1 1 63 63 THR CA C 63 61.170 61.170 61.424 -0.254 17767 1737 1 3 . 1 1 63 63 THR CB C 63 72.320 72.320 71.103 1.217 17767 1738 1 3 . 1 1 63 63 THR H H 63 9.650 9.650 8.835 0.815 17767 1739 1 3 . 1 1 64 64 LEU N N 64 126.300 126.300 127.581 -1.281 17767 1740 1 3 . 1 1 64 64 LEU HA H 64 4.430 4.430 3.967 0.463 17767 1741 1 3 . 1 1 64 64 LEU C C 64 178.000 178.000 178.469 -0.469 17767 1742 1 3 . 1 1 64 64 LEU CA C 64 56.100 56.100 56.106 -0.006 17767 1743 1 3 . 1 1 64 64 LEU CB C 64 41.330 41.330 40.904 0.426 17767 1744 1 3 . 1 1 64 64 LEU H H 64 9.280 9.280 9.083 0.197 17767 1745 1 3 . 1 1 65 65 GLY N N 65 107.520 107.520 112.834 -5.314 17767 1746 1 3 . 1 1 65 65 GLY C C 65 173.800 173.800 173.394 0.406 17767 1747 1 3 . 1 1 65 65 GLY CA C 65 45.780 45.780 45.088 0.692 17767 1748 1 3 . 1 1 65 65 GLY H H 65 9.110 9.110 9.210 -0.100 17767 1749 1 3 . 1 1 66 66 LYS N N 66 121.600 121.600 120.243 1.357 17767 1750 1 3 . 1 1 66 66 LYS HA H 66 4.780 4.780 4.539 0.241 17767 1751 1 3 . 1 1 66 66 LYS C C 66 175.600 175.600 175.328 0.272 17767 1752 1 3 . 1 1 66 66 LYS CA C 66 54.100 54.100 54.800 -0.700 17767 1753 1 3 . 1 1 66 66 LYS CB C 66 34.620 34.620 35.583 -0.963 17767 1754 1 3 . 1 1 66 66 LYS H H 66 7.910 7.910 7.845 0.065 17767 1755 1 3 . 1 1 67 67 GLU N N 67 129.400 129.400 124.785 4.615 17767 1756 1 3 . 1 1 67 67 GLU HA H 67 4.070 4.070 4.188 -0.118 17767 1757 1 3 . 1 1 67 67 GLU C C 67 175.030 175.030 175.062 -0.032 17767 1758 1 3 . 1 1 67 67 GLU CA C 67 59.220 59.220 56.832 2.388 17767 1759 1 3 . 1 1 67 67 GLU CB C 67 30.400 30.400 29.877 0.523 17767 1760 1 3 . 1 1 67 67 GLU H H 67 8.940 8.940 8.778 0.162 17767 1761 1 3 . 1 1 68 68 ALA N N 68 130.940 130.940 130.054 0.886 17767 1762 1 3 . 1 1 68 68 ALA HA H 68 4.900 4.900 4.688 0.212 17767 1763 1 3 . 1 1 68 68 ALA C C 68 176.000 176.000 175.597 0.403 17767 1764 1 3 . 1 1 68 68 ALA CA C 68 51.000 51.000 50.645 0.355 17767 1765 1 3 . 1 1 68 68 ALA CB C 68 22.440 22.440 22.101 0.339 17767 1766 1 3 . 1 1 68 68 ALA H H 68 8.660 8.660 8.051 0.609 17767 1767 1 3 . 1 1 69 69 ASP N N 69 120.500 120.500 122.691 -2.191 17767 1768 1 3 . 1 1 69 69 ASP HA H 69 5.000 5.000 4.788 0.212 17767 1769 1 3 . 1 1 69 69 ASP C C 69 174.400 174.400 176.108 -1.708 17767 1770 1 3 . 1 1 69 69 ASP CA C 69 54.670 54.670 54.249 0.420 17767 1771 1 3 . 1 1 69 69 ASP CB C 69 41.930 41.930 41.248 0.682 17767 1772 1 3 . 1 1 69 69 ASP H H 69 8.330 8.330 8.613 -0.282 17767 1773 1 3 . 1 1 70 70 ILE N N 70 125.540 125.540 121.834 3.706 17767 1774 1 3 . 1 1 70 70 ILE HA H 70 4.510 4.510 4.624 -0.114 17767 1775 1 3 . 1 1 70 70 ILE C C 70 175.300 175.300 174.043 1.257 17767 1776 1 3 . 1 1 70 70 ILE CA C 70 57.690 57.690 59.599 -1.909 17767 1777 1 3 . 1 1 70 70 ILE CB C 70 40.040 40.040 41.194 -1.154 17767 1778 1 3 . 1 1 70 70 ILE H H 70 8.850 8.850 8.395 0.455 17767 1779 1 3 . 1 1 71 71 THR N N 71 123.860 123.860 117.725 6.135 17767 1780 1 3 . 1 1 71 71 THR HA H 71 5.240 5.240 4.803 0.437 17767 1781 1 3 . 1 1 71 71 THR C C 71 174.600 174.600 174.118 0.482 17767 1782 1 3 . 1 1 71 71 THR CA C 71 61.610 61.610 61.407 0.203 17767 1783 1 3 . 1 1 71 71 THR CB C 71 70.370 70.370 70.760 -0.390 17767 1784 1 3 . 1 1 71 71 THR H H 71 9.460 9.460 8.152 1.308 17767 1785 1 3 . 1 1 72 72 THR N N 72 115.980 115.980 120.247 -4.267 17767 1786 1 3 . 1 1 72 72 THR HA H 72 4.550 4.550 4.537 0.013 17767 1787 1 3 . 1 1 72 72 THR C C 72 177.300 177.300 176.651 0.649 17767 1788 1 3 . 1 1 72 72 THR CA C 72 60.550 60.550 60.571 -0.021 17767 1789 1 3 . 1 1 72 72 THR CB C 72 70.710 70.710 70.364 0.346 17767 1790 1 3 . 1 1 72 72 THR H H 72 8.700 8.700 8.138 0.562 17767 1791 1 3 . 1 1 73 73 MET N N 73 119.830 119.830 123.710 -3.880 17767 1792 1 3 . 1 1 73 73 MET HA H 73 4.110 4.110 4.409 -0.299 17767 1793 1 3 . 1 1 73 73 MET C C 73 176.200 176.200 176.340 -0.140 17767 1794 1 3 . 1 1 73 73 MET CA C 73 58.900 58.900 57.438 1.462 17767 1795 1 3 . 1 1 73 73 MET CB C 73 34.760 34.760 31.184 3.575 17767 1796 1 3 . 1 1 73 73 MET H H 73 10.360 10.360 8.516 1.844 17767 1797 1 3 . 1 1 74 74 ASP N N 74 112.220 112.220 120.742 -8.522 17767 1798 1 3 . 1 1 74 74 ASP HA H 74 4.800 4.800 4.495 0.305 17767 1799 1 3 . 1 1 74 74 ASP C C 74 175.600 175.600 177.205 -1.605 17767 1800 1 3 . 1 1 74 74 ASP CA C 74 52.630 52.630 54.684 -2.054 17767 1801 1 3 . 1 1 74 74 ASP CB C 74 38.870 38.870 41.488 -2.618 17767 1802 1 3 . 1 1 74 74 ASP H H 74 8.680 8.680 7.754 0.926 17767 1803 1 3 . 1 1 75 75 GLY N N 75 108.040 108.040 106.711 1.329 17767 1804 1 3 . 1 1 75 75 GLY C C 75 175.000 175.000 173.696 1.304 17767 1805 1 3 . 1 1 75 75 GLY CA C 75 46.400 46.400 44.822 1.578 17767 1806 1 3 . 1 1 75 75 GLY H H 75 7.600 7.600 7.677 -0.077 17767 1807 1 3 . 1 1 76 76 LYS N N 76 120.500 120.500 120.789 -0.289 17767 1808 1 3 . 1 1 76 76 LYS HA H 76 4.440 4.440 4.561 -0.121 17767 1809 1 3 . 1 1 76 76 LYS C C 76 175.400 175.400 175.536 -0.136 17767 1810 1 3 . 1 1 76 76 LYS CA C 76 55.240 55.240 54.486 0.754 17767 1811 1 3 . 1 1 76 76 LYS CB C 76 33.500 33.500 34.454 -0.954 17767 1812 1 3 . 1 1 76 76 LYS H H 76 8.260 8.260 7.764 0.496 17767 1813 1 3 . 1 1 77 77 LYS N N 77 119.300 119.300 124.933 -5.633 17767 1814 1 3 . 1 1 77 77 LYS HA H 77 5.370 5.370 4.451 0.919 17767 1815 1 3 . 1 1 77 77 LYS C C 77 176.100 176.100 176.382 -0.282 17767 1816 1 3 . 1 1 77 77 LYS CA C 77 54.360 54.360 55.425 -1.065 17767 1817 1 3 . 1 1 77 77 LYS CB C 77 32.840 32.840 31.598 1.242 17767 1818 1 3 . 1 1 77 77 LYS H H 77 8.130 8.130 8.468 -0.338 17767 1819 1 3 . 1 1 78 78 LEU N N 78 123.860 123.860 125.932 -2.072 17767 1820 1 3 . 1 1 78 78 LEU HA H 78 4.910 4.910 4.748 0.162 17767 1821 1 3 . 1 1 78 78 LEU C C 78 175.600 175.600 175.491 0.109 17767 1822 1 3 . 1 1 78 78 LEU CA C 78 53.170 53.170 54.144 -0.974 17767 1823 1 3 . 1 1 78 78 LEU CB C 78 45.780 45.780 46.021 -0.241 17767 1824 1 3 . 1 1 78 78 LEU H H 78 9.028 9.028 8.131 0.897 17767 1825 1 3 . 1 1 79 79 LYS N N 79 119.280 119.280 120.646 -1.366 17767 1826 1 3 . 1 1 79 79 LYS HA H 79 5.615 5.615 4.965 0.650 17767 1827 1 3 . 1 1 79 79 LYS C C 79 176.600 176.600 175.462 1.138 17767 1828 1 3 . 1 1 79 79 LYS CA C 79 55.000 55.000 55.419 -0.419 17767 1829 1 3 . 1 1 79 79 LYS CB C 79 36.850 36.850 33.852 2.998 17767 1830 1 3 . 1 1 79 79 LYS H H 79 8.240 8.240 8.302 -0.062 17767 1831 1 3 . 1 1 80 80 CYS N N 80 115.980 115.980 124.795 -8.815 17767 1832 1 3 . 1 1 80 80 CYS HA H 80 4.700 4.700 4.757 -0.057 17767 1833 1 3 . 1 1 80 80 CYS C C 80 173.500 173.500 174.549 -1.049 17767 1834 1 3 . 1 1 80 80 CYS CA C 80 56.500 56.500 58.137 -1.637 17767 1835 1 3 . 1 1 80 80 CYS CB C 80 45.700 45.700 28.234 17.466 17767 1836 1 3 . 1 1 80 80 CYS H H 80 8.306 8.306 8.464 -0.158 17767 1837 1 3 . 1 1 81 81 THR N N 81 122.000 122.000 126.452 -4.452 17767 1838 1 3 . 1 1 81 81 THR HA H 81 4.303 4.303 4.540 -0.237 17767 1839 1 3 . 1 1 81 81 THR C C 81 173.100 173.100 174.053 -0.953 17767 1840 1 3 . 1 1 81 81 THR CA C 81 62.460 62.460 61.862 0.598 17767 1841 1 3 . 1 1 81 81 THR CB C 81 68.200 68.200 67.867 0.333 17767 1842 1 3 . 1 1 81 81 THR H H 81 8.840 8.840 8.757 0.083 17767 1843 1 3 . 1 1 82 82 VAL N N 82 132.160 132.160 125.728 6.432 17767 1844 1 3 . 1 1 82 82 VAL HA H 82 4.449 4.449 4.333 0.116 17767 1845 1 3 . 1 1 82 82 VAL C C 82 175.100 175.100 175.484 -0.384 17767 1846 1 3 . 1 1 82 82 VAL CA C 82 61.760 61.760 61.849 -0.089 17767 1847 1 3 . 1 1 82 82 VAL CB C 82 31.200 31.200 31.361 -0.161 17767 1848 1 3 . 1 1 82 82 VAL H H 82 9.520 9.520 7.638 1.882 17767 1849 1 3 . 1 1 83 83 HIS N N 83 123.860 123.860 122.030 1.830 17767 1850 1 3 . 1 1 83 83 HIS HA H 83 5.009 5.009 4.822 0.187 17767 1851 1 3 . 1 1 83 83 HIS C C 83 173.500 173.500 172.554 0.946 17767 1852 1 3 . 1 1 83 83 HIS CA C 83 55.300 55.300 54.149 1.151 17767 1853 1 3 . 1 1 83 83 HIS CB C 83 33.400 33.400 32.877 0.523 17767 1854 1 3 . 1 1 83 83 HIS H H 83 8.740 8.740 9.166 -0.426 17767 1855 1 3 . 1 1 84 84 LEU N N 84 121.600 121.600 124.475 -2.875 17767 1856 1 3 . 1 1 84 84 LEU HA H 84 5.420 5.420 4.604 0.816 17767 1857 1 3 . 1 1 84 84 LEU C C 84 176.500 176.500 175.443 1.057 17767 1858 1 3 . 1 1 84 84 LEU CA C 84 53.790 53.790 54.259 -0.469 17767 1859 1 3 . 1 1 84 84 LEU CB C 84 44.740 44.740 42.878 1.862 17767 1860 1 3 . 1 1 84 84 LEU H H 84 8.850 8.850 8.476 0.374 17767 1861 1 3 . 1 1 85 85 ALA N N 85 128.800 128.800 130.442 -1.642 17767 1862 1 3 . 1 1 85 85 ALA HA H 85 4.750 4.750 4.653 0.097 17767 1863 1 3 . 1 1 85 85 ALA C C 85 177.000 177.000 176.707 0.293 17767 1864 1 3 . 1 1 85 85 ALA CA C 85 51.480 51.480 51.161 0.319 17767 1865 1 3 . 1 1 85 85 ALA CB C 85 20.910 20.910 20.442 0.468 17767 1866 1 3 . 1 1 85 85 ALA H H 85 9.230 9.230 8.879 0.351 17767 1867 1 3 . 1 1 86 86 ASN HA H 86 4.430 4.430 4.343 0.087 17767 1868 1 3 . 1 1 86 86 ASN C C 86 175.400 175.400 175.195 0.205 17767 1869 1 3 . 1 1 86 86 ASN CA C 86 54.140 54.140 53.947 0.193 17767 1870 1 3 . 1 1 86 86 ASN CB C 86 37.550 37.550 37.199 0.351 17767 1871 1 3 . 1 1 87 87 GLY N N 87 103.430 103.430 101.158 2.272 17767 1872 1 3 . 1 1 87 87 GLY C C 87 173.800 173.800 173.907 -0.107 17767 1873 1 3 . 1 1 87 87 GLY CA C 87 45.670 45.670 45.222 0.448 17767 1874 1 3 . 1 1 87 87 GLY H H 87 8.620 8.620 8.555 0.065 17767 1875 1 3 . 1 1 88 88 LYS N N 88 120.490 120.490 120.824 -0.334 17767 1876 1 3 . 1 1 88 88 LYS HA H 88 5.120 5.120 4.882 0.238 17767 1877 1 3 . 1 1 88 88 LYS C C 88 175.500 175.500 175.003 0.497 17767 1878 1 3 . 1 1 88 88 LYS CA C 88 55.140 55.140 54.486 0.654 17767 1879 1 3 . 1 1 88 88 LYS CB C 88 34.610 34.610 34.615 -0.005 17767 1880 1 3 . 1 1 88 88 LYS H H 88 7.880 7.880 7.710 0.170 17767 1881 1 3 . 1 1 89 89 LEU N N 89 124.420 124.420 126.556 -2.136 17767 1882 1 3 . 1 1 89 89 LEU HA H 89 4.730 4.730 4.225 0.505 17767 1883 1 3 . 1 1 89 89 LEU C C 89 176.700 176.700 175.241 1.459 17767 1884 1 3 . 1 1 89 89 LEU CA C 89 54.500 54.500 54.814 -0.314 17767 1885 1 3 . 1 1 89 89 LEU CB C 89 44.150 44.150 42.040 2.110 17767 1886 1 3 . 1 1 89 89 LEU H H 89 8.780 8.780 8.585 0.195 17767 1887 1 3 . 1 1 90 90 VAL N N 90 122.500 122.500 124.168 -1.668 17767 1888 1 3 . 1 1 90 90 VAL HA H 90 5.420 5.420 4.582 0.838 17767 1889 1 3 . 1 1 90 90 VAL C C 90 175.200 175.200 173.721 1.479 17767 1890 1 3 . 1 1 90 90 VAL CA C 90 60.350 60.350 59.703 0.647 17767 1891 1 3 . 1 1 90 90 VAL CB C 90 35.930 35.930 34.944 0.987 17767 1892 1 3 . 1 1 90 90 VAL H H 90 9.050 9.050 8.656 0.394 17767 1893 1 3 . 1 1 91 91 CYS N N 91 123.100 123.100 126.611 -3.511 17767 1894 1 3 . 1 1 91 91 CYS HA H 91 5.370 5.370 4.885 0.485 17767 1895 1 3 . 1 1 91 91 CYS C C 91 172.700 172.700 173.327 -0.627 17767 1896 1 3 . 1 1 91 91 CYS CA C 91 55.230 55.230 58.106 -2.876 17767 1897 1 3 . 1 1 91 91 CYS CB C 91 42.970 42.970 28.570 14.400 17767 1898 1 3 . 1 1 91 91 CYS H H 91 8.820 8.820 8.957 -0.137 17767 1899 1 3 . 1 1 92 92 LYS N N 92 128.900 128.900 128.156 0.744 17767 1900 1 3 . 1 1 92 92 LYS HA H 92 5.000 5.000 4.832 0.168 17767 1901 1 3 . 1 1 92 92 LYS C C 92 174.270 174.270 175.582 -1.312 17767 1902 1 3 . 1 1 92 92 LYS CA C 92 55.360 55.360 55.384 -0.024 17767 1903 1 3 . 1 1 92 92 LYS CB C 92 35.960 35.960 34.227 1.733 17767 1904 1 3 . 1 1 92 92 LYS H H 92 9.450 9.450 8.630 0.820 17767 1905 1 3 . 1 1 93 93 SER N N 93 119.300 119.300 121.686 -2.386 17767 1906 1 3 . 1 1 93 93 SER HA H 93 4.710 4.710 4.665 0.045 17767 1907 1 3 . 1 1 93 93 SER C C 93 174.200 174.200 175.136 -0.936 17767 1908 1 3 . 1 1 93 93 SER CA C 93 55.430 55.430 57.516 -2.086 17767 1909 1 3 . 1 1 93 93 SER CB C 93 66.460 66.460 64.040 2.420 17767 1910 1 3 . 1 1 93 93 SER H H 93 8.620 8.620 8.477 0.143 17767 1911 1 3 . 1 1 94 94 GLU N N 94 119.900 119.900 120.954 -1.054 17767 1912 1 3 . 1 1 94 94 GLU HA H 94 4.090 4.090 4.287 -0.197 17767 1913 1 3 . 1 1 94 94 GLU C C 94 177.600 177.600 176.532 1.068 17767 1914 1 3 . 1 1 94 94 GLU CA C 94 59.440 59.440 58.318 1.122 17767 1915 1 3 . 1 1 94 94 GLU CB C 94 29.360 29.360 29.574 -0.214 17767 1916 1 3 . 1 1 94 94 GLU H H 94 8.670 8.670 8.584 0.086 17767 1917 1 3 . 1 1 95 95 LYS N N 95 113.500 113.500 117.598 -4.098 17767 1918 1 3 . 1 1 95 95 LYS HA H 95 4.430 4.430 4.179 0.251 17767 1919 1 3 . 1 1 95 95 LYS C C 95 175.980 175.980 175.108 0.872 17767 1920 1 3 . 1 1 95 95 LYS CA C 95 56.180 56.180 55.656 0.524 17767 1921 1 3 . 1 1 95 95 LYS CB C 95 35.220 35.220 32.722 2.498 17767 1922 1 3 . 1 1 95 95 LYS H H 95 8.300 8.300 7.919 0.381 17767 1923 1 3 . 1 1 96 96 PHE N N 96 113.270 113.270 117.183 -3.913 17767 1924 1 3 . 1 1 96 96 PHE HA H 96 5.860 5.860 4.722 1.138 17767 1925 1 3 . 1 1 96 96 PHE C C 96 173.900 173.900 174.189 -0.289 17767 1926 1 3 . 1 1 96 96 PHE CA C 96 55.890 55.890 55.501 0.389 17767 1927 1 3 . 1 1 96 96 PHE CB C 96 43.560 43.560 41.924 1.636 17767 1928 1 3 . 1 1 96 96 PHE H H 96 7.000 7.000 7.416 -0.416 17767 1929 1 3 . 1 1 97 97 SER N N 97 112.050 112.050 113.540 -1.490 17767 1930 1 3 . 1 1 97 97 SER HA H 97 5.220 5.220 4.709 0.511 17767 1931 1 3 . 1 1 97 97 SER C C 97 172.560 172.560 172.403 0.157 17767 1932 1 3 . 1 1 97 97 SER CA C 97 57.870 57.870 58.117 -0.247 17767 1933 1 3 . 1 1 97 97 SER CB C 97 65.990 65.990 64.695 1.295 17767 1934 1 3 . 1 1 97 97 SER H H 97 8.790 8.790 8.813 -0.023 17767 1935 1 3 . 1 1 98 98 HIS N N 98 126.300 126.300 126.416 -0.116 17767 1936 1 3 . 1 1 98 98 HIS HA H 98 5.190 5.190 4.890 0.300 17767 1937 1 3 . 1 1 98 98 HIS C C 98 174.500 174.500 173.388 1.112 17767 1938 1 3 . 1 1 98 98 HIS CA C 98 56.260 56.260 54.602 1.658 17767 1939 1 3 . 1 1 98 98 HIS CB C 98 36.270 36.270 31.962 4.308 17767 1940 1 3 . 1 1 98 98 HIS H H 98 9.190 9.190 8.992 0.198 17767 1941 1 3 . 1 1 99 99 GLU N N 99 126.670 126.670 128.054 -1.384 17767 1942 1 3 . 1 1 99 99 GLU HA H 99 5.390 5.390 4.816 0.574 17767 1943 1 3 . 1 1 99 99 GLU C C 99 175.400 175.400 174.966 0.434 17767 1944 1 3 . 1 1 99 99 GLU CA C 99 55.000 55.000 54.888 0.112 17767 1945 1 3 . 1 1 99 99 GLU CB C 99 34.000 34.000 32.089 1.911 17767 1946 1 3 . 1 1 99 99 GLU H H 99 8.350 8.350 8.294 0.056 17767 1947 1 3 . 1 1 101 101 GLU N N 101 125.500 125.500 119.608 5.892 17767 1948 1 3 . 1 1 101 101 GLU HA H 101 5.160 5.160 4.615 0.545 17767 1949 1 3 . 1 1 101 101 GLU CA C 101 54.090 54.090 55.600 -1.510 17767 1950 1 3 . 1 1 101 101 GLU CB C 101 34.800 34.800 33.355 1.445 17767 1951 1 3 . 1 1 101 101 GLU H H 101 8.900 8.900 8.414 0.486 17767 1952 1 3 . 1 1 102 102 VAL N N 102 124.420 124.420 125.260 -0.840 17767 1953 1 3 . 1 1 102 102 VAL HA H 102 4.630 4.630 4.321 0.309 17767 1954 1 3 . 1 1 102 102 VAL C C 102 175.200 175.200 175.773 -0.573 17767 1955 1 3 . 1 1 102 102 VAL CA C 102 61.380 61.380 61.183 0.197 17767 1956 1 3 . 1 1 102 102 VAL CB C 102 34.100 34.100 32.450 1.650 17767 1957 1 3 . 1 1 102 102 VAL H H 102 8.790 8.790 8.692 0.098 17767 1958 1 3 . 1 1 103 103 LYS N N 103 129.480 129.480 128.349 1.131 17767 1959 1 3 . 1 1 103 103 LYS HA H 103 4.570 4.570 4.600 -0.030 17767 1960 1 3 . 1 1 103 103 LYS C C 103 176.500 176.500 176.894 -0.394 17767 1961 1 3 . 1 1 103 103 LYS CA C 103 55.340 55.340 55.176 0.164 17767 1962 1 3 . 1 1 103 103 LYS CB C 103 33.760 33.760 31.941 1.819 17767 1963 1 3 . 1 1 103 103 LYS H H 103 8.950 8.950 9.110 -0.160 17767 1964 1 3 . 1 1 104 104 GLY N N 104 116.700 116.700 116.646 0.054 17767 1965 1 3 . 1 1 104 104 GLY C C 104 174.500 174.500 174.827 -0.327 17767 1966 1 3 . 1 1 104 104 GLY CA C 104 47.680 47.680 47.027 0.653 17767 1967 1 3 . 1 1 104 104 GLY H H 104 9.140 9.140 8.666 0.474 17767 1968 1 3 . 1 1 105 105 ASN N N 105 125.540 125.540 124.236 1.304 17767 1969 1 3 . 1 1 105 105 ASN HA H 105 5.000 5.000 4.984 0.016 17767 1970 1 3 . 1 1 105 105 ASN CA C 105 53.130 53.130 52.523 0.607 17767 1971 1 3 . 1 1 105 105 ASN CB C 105 39.060 39.060 40.056 -0.996 17767 1972 1 3 . 1 1 105 105 ASN H H 105 9.030 9.030 8.381 0.649 17767 1973 1 3 . 1 1 106 106 GLU N N 106 120.480 120.480 119.517 0.963 17767 1974 1 3 . 1 1 106 106 GLU HA H 106 5.550 5.550 4.998 0.552 17767 1975 1 3 . 1 1 106 106 GLU CA C 106 55.550 55.550 55.396 0.154 17767 1976 1 3 . 1 1 106 106 GLU CB C 106 33.160 33.160 33.852 -0.693 17767 1977 1 3 . 1 1 106 106 GLU H H 106 8.100 8.100 7.852 0.248 17767 1978 1 3 . 1 1 107 107 MET N N 107 124.080 124.080 122.206 1.874 17767 1979 1 3 . 1 1 107 107 MET HA H 107 5.120 5.120 5.237 -0.117 17767 1980 1 3 . 1 1 107 107 MET CA C 107 53.700 53.700 53.639 0.061 17767 1981 1 3 . 1 1 107 107 MET CB C 107 36.800 36.800 36.154 0.645 17767 1982 1 3 . 1 1 107 107 MET H H 107 8.930 8.930 9.068 -0.138 17767 1983 1 3 . 1 1 108 108 VAL N N 108 126.820 126.820 124.408 2.412 17767 1984 1 3 . 1 1 108 108 VAL HA H 108 5.250 5.250 4.568 0.682 17767 1985 1 3 . 1 1 108 108 VAL CA C 108 61.340 61.340 60.417 0.923 17767 1986 1 3 . 1 1 108 108 VAL CB C 108 34.900 34.900 35.535 -0.635 17767 1987 1 3 . 1 1 108 108 VAL H H 108 9.017 9.017 9.008 0.009 17767 1988 1 3 . 1 1 109 109 GLU N N 109 128.300 128.300 127.694 0.606 17767 1989 1 3 . 1 1 109 109 GLU HA H 109 5.040 5.040 5.118 -0.078 17767 1990 1 3 . 1 1 109 109 GLU C C 109 174.410 174.410 174.856 -0.446 17767 1991 1 3 . 1 1 109 109 GLU CA C 109 54.440 54.440 54.359 0.081 17767 1992 1 3 . 1 1 109 109 GLU CB C 109 34.760 34.760 33.457 1.303 17767 1993 1 3 . 1 1 109 109 GLU H H 109 9.100 9.100 8.130 0.970 17767 1994 1 3 . 1 1 110 110 THR N N 110 120.760 120.760 118.961 1.799 17767 1995 1 3 . 1 1 110 110 THR HA H 110 4.850 4.850 4.727 0.123 17767 1996 1 3 . 1 1 110 110 THR C C 110 174.900 174.900 173.548 1.352 17767 1997 1 3 . 1 1 110 110 THR CA C 110 61.980 61.980 61.946 0.034 17767 1998 1 3 . 1 1 110 110 THR CB C 110 69.520 69.520 70.031 -0.511 17767 1999 1 3 . 1 1 110 110 THR H H 110 8.876 8.876 8.863 0.013 17767 2000 1 3 . 1 1 111 111 ILE N N 111 131.030 131.030 126.742 4.288 17767 2001 1 3 . 1 1 111 111 ILE HA H 111 5.240 5.240 4.752 0.488 17767 2002 1 3 . 1 1 111 111 ILE C C 111 174.600 174.600 174.875 -0.275 17767 2003 1 3 . 1 1 111 111 ILE CA C 111 60.310 60.310 59.018 1.292 17767 2004 1 3 . 1 1 111 111 ILE CB C 111 41.220 41.220 40.960 0.260 17767 2005 1 3 . 1 1 111 111 ILE H H 111 9.490 9.490 8.118 1.372 17767 2006 1 3 . 1 1 112 112 THR N N 112 122.800 122.800 117.833 4.967 17767 2007 1 3 . 1 1 112 112 THR HA H 112 5.960 5.960 4.957 1.003 17767 2008 1 3 . 1 1 112 112 THR C C 112 174.370 174.370 173.092 1.278 17767 2009 1 3 . 1 1 112 112 THR CA C 112 61.180 61.180 61.529 -0.349 17767 2010 1 3 . 1 1 112 112 THR CB C 112 71.250 71.250 70.492 0.758 17767 2011 1 3 . 1 1 112 112 THR H H 112 9.490 9.490 8.076 1.414 17767 2012 1 3 . 1 1 113 113 PHE N N 113 124.980 124.980 124.104 0.876 17767 2013 1 3 . 1 1 113 113 PHE HA H 113 4.820 4.820 4.536 0.284 17767 2014 1 3 . 1 1 113 113 PHE C C 113 175.700 175.700 175.684 0.016 17767 2015 1 3 . 1 1 113 113 PHE CA C 113 58.800 58.800 57.882 0.918 17767 2016 1 3 . 1 1 113 113 PHE CB C 113 43.480 43.480 42.744 0.736 17767 2017 1 3 . 1 1 113 113 PHE H H 113 9.000 9.000 8.253 0.747 17767 2018 1 3 . 1 1 114 114 GLY N N 114 116.550 116.550 111.363 5.187 17767 2019 1 3 . 1 1 114 114 GLY C C 114 175.300 175.300 174.716 0.584 17767 2020 1 3 . 1 1 114 114 GLY CA C 114 46.840 46.840 45.828 1.012 17767 2021 1 3 . 1 1 114 114 GLY H H 114 8.410 8.410 9.144 -0.734 17767 2022 1 3 . 1 1 115 115 GLY N N 115 105.640 105.640 106.808 -1.168 17767 2023 1 3 . 1 1 115 115 GLY C C 115 174.200 174.200 173.877 0.323 17767 2024 1 3 . 1 1 115 115 GLY CA C 115 44.890 44.890 45.007 -0.117 17767 2025 1 3 . 1 1 115 115 GLY H H 115 8.560 8.560 8.229 0.331 17767 2026 1 3 . 1 1 116 116 VAL N N 116 123.600 123.600 121.116 2.484 17767 2027 1 3 . 1 1 116 116 VAL HA H 116 4.310 4.310 4.341 -0.031 17767 2028 1 3 . 1 1 116 116 VAL C C 116 174.640 174.640 174.791 -0.151 17767 2029 1 3 . 1 1 116 116 VAL CA C 116 62.250 62.250 60.631 1.619 17767 2030 1 3 . 1 1 116 116 VAL CB C 116 34.170 34.170 33.907 0.263 17767 2031 1 3 . 1 1 116 116 VAL H H 116 8.164 8.164 7.743 0.421 17767 2032 1 3 . 1 1 117 117 THR N N 117 123.270 123.270 123.355 -0.085 17767 2033 1 3 . 1 1 117 117 THR HA H 117 5.250 5.250 4.604 0.646 17767 2034 1 3 . 1 1 117 117 THR C C 117 173.800 173.800 173.581 0.219 17767 2035 1 3 . 1 1 117 117 THR CA C 117 61.900 61.900 61.967 -0.066 17767 2036 1 3 . 1 1 117 117 THR CB C 117 70.450 70.450 68.437 2.013 17767 2037 1 3 . 1 1 117 117 THR H H 117 8.770 8.770 8.545 0.225 17767 2038 1 3 . 1 1 118 118 LEU N N 118 132.800 132.800 130.105 2.695 17767 2039 1 3 . 1 1 118 118 LEU HA H 118 4.880 4.880 4.536 0.344 17767 2040 1 3 . 1 1 118 118 LEU C C 118 175.200 175.200 174.434 0.766 17767 2041 1 3 . 1 1 118 118 LEU CA C 118 53.570 53.570 53.542 0.028 17767 2042 1 3 . 1 1 118 118 LEU CB C 118 44.730 44.730 42.629 2.101 17767 2043 1 3 . 1 1 118 118 LEU H H 118 9.700 9.700 7.784 1.916 17767 2044 1 3 . 1 1 119 119 ILE N N 119 124.980 124.980 128.331 -3.351 17767 2045 1 3 . 1 1 119 119 ILE HA H 119 5.240 5.240 4.629 0.611 17767 2046 1 3 . 1 1 119 119 ILE C C 119 175.900 175.900 175.125 0.775 17767 2047 1 3 . 1 1 119 119 ILE CA C 119 59.340 59.340 60.627 -1.287 17767 2048 1 3 . 1 1 119 119 ILE CB C 119 39.550 39.550 39.175 0.375 17767 2049 1 3 . 1 1 119 119 ILE H H 119 7.800 7.800 7.785 0.015 17767 2050 1 3 . 1 1 120 120 ARG N N 120 126.110 126.110 122.903 3.207 17767 2051 1 3 . 1 1 120 120 ARG HA H 120 5.040 5.040 4.912 0.128 17767 2052 1 3 . 1 1 120 120 ARG C C 120 175.300 175.300 174.827 0.473 17767 2053 1 3 . 1 1 120 120 ARG CA C 120 54.990 54.990 53.824 1.166 17767 2054 1 3 . 1 1 120 120 ARG CB C 120 34.760 34.760 33.869 0.891 17767 2055 1 3 . 1 1 120 120 ARG H H 120 9.400 9.400 8.253 1.147 17767 2056 1 3 . 1 1 121 121 ARG N N 121 126.600 126.600 120.107 6.493 17767 2057 1 3 . 1 1 121 121 ARG HA H 121 5.350 5.350 4.736 0.614 17767 2058 1 3 . 1 1 121 121 ARG C C 121 175.020 175.020 174.847 0.173 17767 2059 1 3 . 1 1 121 121 ARG CA C 121 55.250 55.250 53.559 1.691 17767 2060 1 3 . 1 1 121 121 ARG CB C 121 31.830 31.830 31.952 -0.122 17767 2061 1 3 . 1 1 121 121 ARG H H 121 9.110 9.110 8.048 1.062 17767 2062 1 3 . 1 1 122 122 SER N N 122 118.200 118.200 117.919 0.281 17767 2063 1 3 . 1 1 122 122 SER HA H 122 5.730 5.730 5.779 -0.049 17767 2064 1 3 . 1 1 122 122 SER C C 122 173.010 173.010 173.790 -0.780 17767 2065 1 3 . 1 1 122 122 SER CA C 122 58.100 58.100 56.512 1.588 17767 2066 1 3 . 1 1 122 122 SER CB C 122 66.850 66.850 66.332 0.518 17767 2067 1 3 . 1 1 122 122 SER H H 122 9.290 9.290 9.192 0.098 17767 2068 1 3 . 1 1 123 123 LYS N N 123 120.480 120.480 120.474 0.006 17767 2069 1 3 . 1 1 123 123 LYS HA H 123 5.780 5.780 5.054 0.726 17767 2070 1 3 . 1 1 123 123 LYS C C 123 175.600 175.600 175.800 -0.200 17767 2071 1 3 . 1 1 123 123 LYS CA C 123 54.130 54.130 55.004 -0.874 17767 2072 1 3 . 1 1 123 123 LYS CB C 123 36.330 36.330 36.088 0.242 17767 2073 1 3 . 1 1 123 123 LYS H H 123 8.650 8.650 9.278 -0.628 17767 2074 1 3 . 1 1 124 124 ARG N N 124 124.980 124.980 125.401 -0.421 17767 2075 1 3 . 1 1 124 124 ARG HA H 124 3.940 3.940 4.728 -0.788 17767 2076 1 3 . 1 1 124 124 ARG C C 124 176.500 176.500 175.831 0.669 17767 2077 1 3 . 1 1 124 124 ARG CA C 124 56.900 56.900 56.933 -0.033 17767 2078 1 3 . 1 1 124 124 ARG CB C 124 30.380 30.380 30.985 -0.606 17767 2079 1 3 . 1 1 124 124 ARG H H 124 8.200 8.200 9.032 -0.832 17767 2080 1 4 . 1 1 2 2 PHE HA H 2 4.460 4.460 4.849 -0.389 17767 2081 1 4 . 1 1 2 2 PHE C C 2 175.900 175.900 176.457 -0.557 17767 2082 1 4 . 1 1 2 2 PHE CA C 2 61.170 61.170 59.089 2.081 17767 2083 1 4 . 1 1 2 2 PHE CB C 2 40.690 40.690 39.824 0.866 17767 2084 1 4 . 1 1 3 3 SER N N 3 111.380 111.380 115.190 -3.810 17767 2085 1 4 . 1 1 3 3 SER HA H 3 4.420 4.420 4.415 0.005 17767 2086 1 4 . 1 1 3 3 SER C C 3 174.700 174.700 174.908 -0.208 17767 2087 1 4 . 1 1 3 3 SER CA C 3 60.000 60.000 59.763 0.237 17767 2088 1 4 . 1 1 3 3 SER CB C 3 64.140 64.140 62.651 1.489 17767 2089 1 4 . 1 1 3 3 SER H H 3 7.968 7.968 7.938 0.030 17767 2090 1 4 . 1 1 4 4 GLY N N 4 111.480 111.480 111.854 -0.374 17767 2091 1 4 . 1 1 4 4 GLY C C 4 171.800 171.800 171.670 0.130 17767 2092 1 4 . 1 1 4 4 GLY CA C 4 44.150 44.150 45.368 -1.218 17767 2093 1 4 . 1 1 4 4 GLY H H 4 9.080 9.080 8.692 0.388 17767 2094 1 4 . 1 1 5 5 THR N N 5 117.770 117.770 113.984 3.786 17767 2095 1 4 . 1 1 5 5 THR HA H 5 4.980 4.980 4.985 -0.005 17767 2096 1 4 . 1 1 5 5 THR C C 5 173.190 173.190 172.958 0.232 17767 2097 1 4 . 1 1 5 5 THR CA C 5 62.930 62.930 60.787 2.143 17767 2098 1 4 . 1 1 5 5 THR CB C 5 69.310 69.310 70.160 -0.850 17767 2099 1 4 . 1 1 5 5 THR H H 5 8.270 8.270 7.745 0.525 17767 2100 1 4 . 1 1 6 6 TRP N N 6 127.500 127.500 125.640 1.860 17767 2101 1 4 . 1 1 6 6 TRP HA H 6 5.130 5.130 5.153 -0.023 17767 2102 1 4 . 1 1 6 6 TRP CA C 6 55.300 55.300 55.418 -0.118 17767 2103 1 4 . 1 1 6 6 TRP CB C 6 32.290 32.290 31.404 0.886 17767 2104 1 4 . 1 1 6 6 TRP H H 6 9.560 9.560 8.725 0.835 17767 2105 1 4 . 1 1 7 7 GLN HA H 7 4.970 4.970 4.801 0.169 17767 2106 1 4 . 1 1 7 7 GLN C C 7 175.900 175.900 174.693 1.207 17767 2107 1 4 . 1 1 7 7 GLN CA C 7 54.720 54.720 54.411 0.309 17767 2108 1 4 . 1 1 7 7 GLN CB C 7 32.400 32.400 31.148 1.252 17767 2109 1 4 . 1 1 8 8 VAL N N 8 131.400 131.400 128.020 3.380 17767 2110 1 4 . 1 1 8 8 VAL HA H 8 4.450 4.450 4.669 -0.219 17767 2111 1 4 . 1 1 8 8 VAL CA C 8 63.500 63.500 62.446 1.054 17767 2112 1 4 . 1 1 8 8 VAL CB C 8 32.300 32.300 32.756 -0.456 17767 2113 1 4 . 1 1 8 8 VAL H H 8 8.270 8.270 8.716 -0.446 17767 2114 1 4 . 1 1 9 9 TYR N N 9 123.300 123.300 124.290 -0.990 17767 2115 1 4 . 1 1 9 9 TYR HA H 9 5.140 5.140 4.931 0.209 17767 2116 1 4 . 1 1 9 9 TYR C C 9 174.600 174.600 173.307 1.293 17767 2117 1 4 . 1 1 9 9 TYR CA C 9 56.600 56.600 55.966 0.634 17767 2118 1 4 . 1 1 9 9 TYR CB C 9 40.880 40.880 39.949 0.931 17767 2119 1 4 . 1 1 9 9 TYR H H 9 9.570 9.570 9.192 0.378 17767 2120 1 4 . 1 1 10 10 ALA N N 10 125.800 125.800 127.029 -1.229 17767 2121 1 4 . 1 1 10 10 ALA HA H 10 4.680 4.680 4.385 0.295 17767 2122 1 4 . 1 1 10 10 ALA C C 10 175.200 175.200 176.014 -0.814 17767 2123 1 4 . 1 1 10 10 ALA CA C 10 51.780 51.780 52.050 -0.270 17767 2124 1 4 . 1 1 10 10 ALA CB C 10 22.070 22.070 21.182 0.888 17767 2125 1 4 . 1 1 10 10 ALA H H 10 7.330 7.330 7.922 -0.592 17767 2126 1 4 . 1 1 11 11 GLN N N 11 118.300 118.300 119.019 -0.719 17767 2127 1 4 . 1 1 11 11 GLN HA H 11 5.370 5.370 4.475 0.895 17767 2128 1 4 . 1 1 11 11 GLN C C 11 174.700 174.700 175.154 -0.454 17767 2129 1 4 . 1 1 11 11 GLN CA C 11 54.460 54.460 55.015 -0.555 17767 2130 1 4 . 1 1 11 11 GLN CB C 11 32.870 32.870 29.591 3.279 17767 2131 1 4 . 1 1 11 11 GLN H H 11 8.700 8.700 8.383 0.317 17767 2132 1 4 . 1 1 12 12 GLU N N 12 123.800 123.800 121.447 2.353 17767 2133 1 4 . 1 1 12 12 GLU HA H 12 4.600 4.600 4.473 0.127 17767 2134 1 4 . 1 1 12 12 GLU C C 12 175.700 175.700 176.584 -0.884 17767 2135 1 4 . 1 1 12 12 GLU CA C 12 55.300 55.300 55.408 -0.108 17767 2136 1 4 . 1 1 12 12 GLU CB C 12 31.760 31.760 30.380 1.380 17767 2137 1 4 . 1 1 12 12 GLU H H 12 9.130 9.130 8.565 0.565 17767 2138 1 4 . 1 1 13 13 ASN N N 13 117.550 117.550 119.547 -1.997 17767 2139 1 4 . 1 1 13 13 ASN HA H 13 4.790 4.790 4.655 0.135 17767 2140 1 4 . 1 1 13 13 ASN C C 13 175.600 175.600 174.412 1.188 17767 2141 1 4 . 1 1 13 13 ASN CA C 13 54.100 54.100 53.556 0.544 17767 2142 1 4 . 1 1 13 13 ASN CB C 13 37.100 37.100 36.517 0.583 17767 2143 1 4 . 1 1 13 13 ASN H H 13 9.130 9.130 8.818 0.312 17767 2144 1 4 . 1 1 14 14 TYR N N 14 118.280 118.280 123.269 -4.989 17767 2145 1 4 . 1 1 14 14 TYR HA H 14 4.360 4.360 4.499 -0.139 17767 2146 1 4 . 1 1 14 14 TYR C C 14 176.500 176.500 176.837 -0.337 17767 2147 1 4 . 1 1 14 14 TYR CA C 14 60.590 60.590 61.732 -1.142 17767 2148 1 4 . 1 1 14 14 TYR CB C 14 39.450 39.450 40.213 -0.763 17767 2149 1 4 . 1 1 14 14 TYR H H 14 7.900 7.900 8.419 -0.519 17767 2150 1 4 . 1 1 15 15 GLU N N 15 118.600 118.600 119.099 -0.499 17767 2151 1 4 . 1 1 15 15 GLU HA H 15 3.550 3.550 3.978 -0.428 17767 2152 1 4 . 1 1 15 15 GLU C C 15 178.500 178.500 178.479 0.021 17767 2153 1 4 . 1 1 15 15 GLU CA C 15 61.170 61.170 59.833 1.337 17767 2154 1 4 . 1 1 15 15 GLU CB C 15 28.700 28.700 28.763 -0.063 17767 2155 1 4 . 1 1 15 15 GLU H H 15 8.960 8.960 9.152 -0.192 17767 2156 1 4 . 1 1 16 16 GLU N N 16 118.800 118.800 119.489 -0.689 17767 2157 1 4 . 1 1 16 16 GLU HA H 16 3.880 3.880 4.110 -0.230 17767 2158 1 4 . 1 1 16 16 GLU C C 16 178.600 178.600 178.310 0.290 17767 2159 1 4 . 1 1 16 16 GLU CA C 16 60.300 60.300 58.799 1.501 17767 2160 1 4 . 1 1 16 16 GLU CB C 16 28.600 28.600 29.566 -0.966 17767 2161 1 4 . 1 1 16 16 GLU H H 16 9.090 9.090 8.449 0.641 17767 2162 1 4 . 1 1 17 17 PHE N N 17 124.200 124.200 119.641 4.559 17767 2163 1 4 . 1 1 17 17 PHE HA H 17 3.960 3.960 4.260 -0.300 17767 2164 1 4 . 1 1 17 17 PHE C C 17 176.400 176.400 177.480 -1.080 17767 2165 1 4 . 1 1 17 17 PHE CA C 17 62.350 62.350 59.597 2.753 17767 2166 1 4 . 1 1 17 17 PHE CB C 17 40.380 40.380 38.820 1.560 17767 2167 1 4 . 1 1 17 17 PHE H H 17 8.410 8.410 7.409 1.001 17767 2168 1 4 . 1 1 18 18 LEU N N 18 116.400 116.400 119.865 -3.465 17767 2169 1 4 . 1 1 18 18 LEU HA H 18 3.780 3.780 3.458 0.322 17767 2170 1 4 . 1 1 18 18 LEU C C 18 178.800 178.800 178.387 0.413 17767 2171 1 4 . 1 1 18 18 LEU CA C 18 58.240 58.240 57.807 0.433 17767 2172 1 4 . 1 1 18 18 LEU CB C 18 41.220 41.220 41.043 0.177 17767 2173 1 4 . 1 1 18 18 LEU H H 18 8.200 8.200 7.859 0.341 17767 2174 1 4 . 1 1 19 19 LYS N N 19 116.590 116.590 116.192 0.398 17767 2175 1 4 . 1 1 19 19 LYS HA H 19 4.040 4.040 4.088 -0.048 17767 2176 1 4 . 1 1 19 19 LYS C C 19 179.800 179.800 178.926 0.874 17767 2177 1 4 . 1 1 19 19 LYS CA C 19 58.820 58.820 58.727 0.093 17767 2178 1 4 . 1 1 19 19 LYS CB C 19 32.150 32.150 32.011 0.139 17767 2179 1 4 . 1 1 19 19 LYS H H 19 7.790 7.790 7.606 0.184 17767 2180 1 4 . 1 1 20 20 ALA N N 20 126.110 126.110 121.084 5.026 17767 2181 1 4 . 1 1 20 20 ALA HA H 20 4.160 4.160 4.316 -0.156 17767 2182 1 4 . 1 1 20 20 ALA C C 20 178.600 178.600 178.007 0.593 17767 2183 1 4 . 1 1 20 20 ALA CA C 20 55.300 55.300 53.659 1.641 17767 2184 1 4 . 1 1 20 20 ALA CB C 20 17.700 17.700 18.822 -1.122 17767 2185 1 4 . 1 1 20 20 ALA H H 20 7.990 7.990 7.523 0.467 17767 2186 1 4 . 1 1 21 21 LEU N N 21 117.110 117.110 116.949 0.161 17767 2187 1 4 . 1 1 21 21 LEU HA H 21 3.688 3.688 4.371 -0.683 17767 2188 1 4 . 1 1 21 21 LEU C C 21 176.100 176.100 175.924 0.176 17767 2189 1 4 . 1 1 21 21 LEU CA C 21 55.400 55.400 53.814 1.586 17767 2190 1 4 . 1 1 21 21 LEU CB C 21 42.700 42.700 41.712 0.988 17767 2191 1 4 . 1 1 21 21 LEU H H 21 7.380 7.380 7.120 0.260 17767 2192 1 4 . 1 1 22 22 ALA N N 22 118.800 118.800 119.564 -0.764 17767 2193 1 4 . 1 1 22 22 ALA HA H 22 3.985 3.985 3.944 0.041 17767 2194 1 4 . 1 1 22 22 ALA C C 22 177.000 177.000 176.717 0.283 17767 2195 1 4 . 1 1 22 22 ALA CA C 22 52.370 52.370 52.640 -0.270 17767 2196 1 4 . 1 1 22 22 ALA CB C 22 15.960 15.960 16.765 -0.805 17767 2197 1 4 . 1 1 22 22 ALA H H 22 7.920 7.920 7.390 0.530 17767 2198 1 4 . 1 1 23 23 LEU N N 23 118.470 118.470 119.715 -1.245 17767 2199 1 4 . 1 1 23 23 LEU HA H 23 4.425 4.425 4.423 0.002 17767 2200 1 4 . 1 1 23 23 LEU C C 23 174.500 174.500 175.079 -0.579 17767 2201 1 4 . 1 1 23 23 LEU CA C 23 54.130 54.130 52.565 1.565 17767 2202 1 4 . 1 1 23 23 LEU CB C 23 41.220 41.220 42.385 -1.165 17767 2203 1 4 . 1 1 23 23 LEU H H 23 6.950 6.950 7.366 -0.416 17767 2204 1 4 . 1 1 24 24 PRO HA H 24 4.475 4.475 4.459 0.016 17767 2205 1 4 . 1 1 24 24 PRO C C 24 177.500 177.500 177.683 -0.183 17767 2206 1 4 . 1 1 24 24 PRO CA C 24 62.940 62.940 62.574 0.366 17767 2207 1 4 . 1 1 24 24 PRO CB C 24 32.600 32.600 32.367 0.233 17767 2208 1 4 . 1 1 25 25 GLU N N 25 122.500 122.500 123.658 -1.158 17767 2209 1 4 . 1 1 25 25 GLU HA H 25 3.860 3.860 3.868 -0.008 17767 2210 1 4 . 1 1 25 25 GLU C C 25 177.900 177.900 178.100 -0.200 17767 2211 1 4 . 1 1 25 25 GLU CA C 25 60.100 60.100 60.582 -0.482 17767 2212 1 4 . 1 1 25 25 GLU CB C 25 29.690 29.690 29.339 0.351 17767 2213 1 4 . 1 1 25 25 GLU H H 25 8.840 8.840 8.948 -0.108 17767 2214 1 4 . 1 1 26 26 ASP N N 26 117.110 117.110 117.880 -0.770 17767 2215 1 4 . 1 1 26 26 ASP HA H 26 4.360 4.360 4.429 -0.069 17767 2216 1 4 . 1 1 26 26 ASP C C 26 177.900 177.900 178.233 -0.333 17767 2217 1 4 . 1 1 26 26 ASP CA C 26 57.080 57.080 56.628 0.452 17767 2218 1 4 . 1 1 26 26 ASP CB C 26 40.040 40.040 40.227 -0.187 17767 2219 1 4 . 1 1 26 26 ASP H H 26 8.920 8.920 8.583 0.337 17767 2220 1 4 . 1 1 27 27 LEU N N 27 121.990 121.990 120.780 1.210 17767 2221 1 4 . 1 1 27 27 LEU HA H 27 4.270 4.270 4.285 -0.015 17767 2222 1 4 . 1 1 27 27 LEU C C 27 178.070 178.070 178.271 -0.201 17767 2223 1 4 . 1 1 27 27 LEU CA C 27 57.650 57.650 57.220 0.430 17767 2224 1 4 . 1 1 27 27 LEU CB C 27 42.230 42.230 42.480 -0.251 17767 2225 1 4 . 1 1 27 27 LEU H H 27 7.220 7.220 7.425 -0.205 17767 2226 1 4 . 1 1 28 28 ILE N N 28 120.350 120.350 119.677 0.673 17767 2227 1 4 . 1 1 28 28 ILE HA H 28 3.317 3.317 3.550 -0.233 17767 2228 1 4 . 1 1 28 28 ILE C C 28 177.400 177.400 178.114 -0.714 17767 2229 1 4 . 1 1 28 28 ILE CA C 28 67.040 67.040 65.447 1.593 17767 2230 1 4 . 1 1 28 28 ILE CB C 28 37.110 37.110 37.460 -0.350 17767 2231 1 4 . 1 1 28 28 ILE H H 28 7.900 7.900 8.097 -0.197 17767 2232 1 4 . 1 1 29 29 LYS N N 29 117.110 117.110 118.475 -1.365 17767 2233 1 4 . 1 1 29 29 LYS HA H 29 3.947 3.947 4.113 -0.166 17767 2234 1 4 . 1 1 29 29 LYS C C 29 178.900 178.900 178.054 0.846 17767 2235 1 4 . 1 1 29 29 LYS CA C 29 60.000 60.000 59.255 0.745 17767 2236 1 4 . 1 1 29 29 LYS CB C 29 32.390 32.390 32.365 0.025 17767 2237 1 4 . 1 1 29 29 LYS H H 29 7.850 7.850 7.623 0.227 17767 2238 1 4 . 1 1 30 30 MET N N 30 117.110 117.110 115.324 1.786 17767 2239 1 4 . 1 1 30 30 MET HA H 30 4.320 4.320 4.591 -0.271 17767 2240 1 4 . 1 1 30 30 MET C C 30 177.500 177.500 177.960 -0.460 17767 2241 1 4 . 1 1 30 30 MET CA C 30 57.650 57.650 57.675 -0.025 17767 2242 1 4 . 1 1 30 30 MET CB C 30 32.970 32.970 33.158 -0.188 17767 2243 1 4 . 1 1 30 30 MET H H 30 7.450 7.450 7.277 0.173 17767 2244 1 4 . 1 1 31 31 ALA N N 31 120.480 120.480 122.943 -2.463 17767 2245 1 4 . 1 1 31 31 ALA HA H 31 4.270 4.270 4.113 0.157 17767 2246 1 4 . 1 1 31 31 ALA CA C 31 53.545 53.545 54.785 -1.240 17767 2247 1 4 . 1 1 31 31 ALA CB C 31 19.290 19.290 18.353 0.937 17767 2248 1 4 . 1 1 31 31 ALA H H 31 8.420 8.420 8.860 -0.440 17767 2249 1 4 . 1 1 32 32 ARG N N 32 122.170 122.170 116.359 5.811 17767 2250 1 4 . 1 1 32 32 ARG HA H 32 4.109 4.109 3.904 0.205 17767 2251 1 4 . 1 1 32 32 ARG C C 32 176.500 176.500 177.221 -0.721 17767 2252 1 4 . 1 1 32 32 ARG CA C 32 61.170 61.170 59.124 2.046 17767 2253 1 4 . 1 1 32 32 ARG CB C 32 30.600 30.600 30.146 0.454 17767 2254 1 4 . 1 1 32 32 ARG H H 32 7.770 7.770 7.703 0.067 17767 2255 1 4 . 1 1 33 33 ASP N N 33 116.550 116.550 117.622 -1.072 17767 2256 1 4 . 1 1 33 33 ASP HA H 33 4.920 4.920 4.590 0.330 17767 2257 1 4 . 1 1 33 33 ASP C C 33 175.900 175.900 175.861 0.039 17767 2258 1 4 . 1 1 33 33 ASP CA C 33 54.130 54.130 54.478 -0.348 17767 2259 1 4 . 1 1 33 33 ASP CB C 33 41.760 41.760 42.884 -1.124 17767 2260 1 4 . 1 1 33 33 ASP H H 33 8.330 8.330 7.675 0.655 17767 2261 1 4 . 1 1 34 34 ILE N N 34 120.060 120.060 122.211 -2.151 17767 2262 1 4 . 1 1 34 34 ILE HA H 34 4.120 4.120 3.952 0.168 17767 2263 1 4 . 1 1 34 34 ILE C C 34 176.100 176.100 174.811 1.289 17767 2264 1 4 . 1 1 34 34 ILE CA C 34 61.170 61.170 62.234 -1.064 17767 2265 1 4 . 1 1 34 34 ILE CB C 34 37.860 37.860 36.661 1.199 17767 2266 1 4 . 1 1 34 34 ILE H H 34 7.240 7.240 7.270 -0.030 17767 2267 1 4 . 1 1 35 35 LYS N N 35 131.170 131.170 127.661 3.509 17767 2268 1 4 . 1 1 35 35 LYS HA H 35 4.700 4.700 4.810 -0.110 17767 2269 1 4 . 1 1 35 35 LYS C C 35 173.700 173.700 174.534 -0.834 17767 2270 1 4 . 1 1 35 35 LYS CA C 35 52.970 52.970 54.257 -1.287 17767 2271 1 4 . 1 1 35 35 LYS CB C 35 32.750 32.750 32.762 -0.012 17767 2272 1 4 . 1 1 35 35 LYS H H 35 8.980 8.980 8.121 0.859 17767 2273 1 4 . 1 1 36 36 PRO HA H 36 4.510 4.510 4.472 0.038 17767 2274 1 4 . 1 1 36 36 PRO CA C 36 63.523 63.523 62.271 1.252 17767 2275 1 4 . 1 1 36 36 PRO CB C 36 32.840 32.840 32.882 -0.042 17767 2276 1 4 . 1 1 37 37 ILE HA H 37 4.920 4.920 4.163 0.757 17767 2277 1 4 . 1 1 37 37 ILE C C 37 175.500 175.500 175.328 0.172 17767 2278 1 4 . 1 1 37 37 ILE CA C 37 60.588 60.588 60.406 0.182 17767 2279 1 4 . 1 1 37 37 ILE CB C 37 40.630 40.630 39.325 1.305 17767 2280 1 4 . 1 1 38 38 VAL N N 38 129.000 129.000 129.337 -0.337 17767 2281 1 4 . 1 1 38 38 VAL HA H 38 5.120 5.120 4.248 0.872 17767 2282 1 4 . 1 1 38 38 VAL C C 38 175.100 175.100 174.994 0.106 17767 2283 1 4 . 1 1 38 38 VAL CA C 38 61.176 61.176 61.969 -0.793 17767 2284 1 4 . 1 1 38 38 VAL CB C 38 34.850 34.850 32.165 2.685 17767 2285 1 4 . 1 1 38 38 VAL H H 38 9.540 9.540 8.961 0.579 17767 2286 1 4 . 1 1 39 39 GLU N N 39 128.350 128.350 128.938 -0.588 17767 2287 1 4 . 1 1 39 39 GLU HA H 39 5.440 5.440 4.607 0.833 17767 2288 1 4 . 1 1 39 39 GLU C C 39 176.000 176.000 174.692 1.308 17767 2289 1 4 . 1 1 39 39 GLU CA C 39 54.720 54.720 56.613 -1.893 17767 2290 1 4 . 1 1 39 39 GLU CB C 39 32.410 32.410 31.321 1.089 17767 2291 1 4 . 1 1 39 39 GLU H H 39 9.590 9.590 8.337 1.253 17767 2292 1 4 . 1 1 40 40 ILE N N 40 126.110 126.110 126.695 -0.585 17767 2293 1 4 . 1 1 40 40 ILE HA H 40 5.050 5.050 5.040 0.010 17767 2294 1 4 . 1 1 40 40 ILE C C 40 175.800 175.800 173.173 2.627 17767 2295 1 4 . 1 1 40 40 ILE CA C 40 61.330 61.330 58.860 2.470 17767 2296 1 4 . 1 1 40 40 ILE CB C 40 40.160 40.160 41.839 -1.679 17767 2297 1 4 . 1 1 40 40 ILE H H 40 9.630 9.630 8.445 1.185 17767 2298 1 4 . 1 1 41 41 GLN N N 41 128.360 128.360 127.359 1.001 17767 2299 1 4 . 1 1 41 41 GLN HA H 41 4.720 4.720 4.845 -0.125 17767 2300 1 4 . 1 1 41 41 GLN C C 41 173.900 173.900 173.365 0.535 17767 2301 1 4 . 1 1 41 41 GLN CA C 41 54.940 54.940 53.717 1.223 17767 2302 1 4 . 1 1 41 41 GLN CB C 41 31.820 31.820 31.494 0.326 17767 2303 1 4 . 1 1 41 41 GLN H H 41 9.270 9.270 8.579 0.691 17767 2304 1 4 . 1 1 42 42 GLN N N 42 126.110 126.110 123.461 2.649 17767 2305 1 4 . 1 1 42 42 GLN HA H 42 4.380 4.380 4.523 -0.143 17767 2306 1 4 . 1 1 42 42 GLN C C 42 174.700 174.700 174.656 0.044 17767 2307 1 4 . 1 1 42 42 GLN CA C 42 54.150 54.150 53.945 0.205 17767 2308 1 4 . 1 1 42 42 GLN CB C 42 30.000 30.000 31.207 -1.207 17767 2309 1 4 . 1 1 42 42 GLN H H 42 8.250 8.250 8.400 -0.150 17767 2310 1 4 . 1 1 43 43 LYS N N 43 130.610 130.610 121.008 9.602 17767 2311 1 4 . 1 1 43 43 LYS HA H 43 4.460 4.460 4.432 0.028 17767 2312 1 4 . 1 1 43 43 LYS C C 43 176.030 176.030 175.860 0.170 17767 2313 1 4 . 1 1 43 43 LYS CA C 43 55.306 55.306 55.747 -0.441 17767 2314 1 4 . 1 1 43 43 LYS CB C 43 33.270 33.270 33.602 -0.332 17767 2315 1 4 . 1 1 43 43 LYS H H 43 8.820 8.820 8.533 0.287 17767 2316 1 4 . 1 1 44 44 GLY N N 44 117.110 117.110 114.441 2.669 17767 2317 1 4 . 1 1 44 44 GLY C C 44 174.300 174.300 174.263 0.037 17767 2318 1 4 . 1 1 44 44 GLY CA C 44 47.480 47.480 45.902 1.578 17767 2319 1 4 . 1 1 44 44 GLY H H 44 8.940 8.940 8.161 0.779 17767 2320 1 4 . 1 1 45 45 ASP N N 45 127.799 127.799 123.622 4.177 17767 2321 1 4 . 1 1 45 45 ASP HA H 45 4.870 4.870 4.877 -0.007 17767 2322 1 4 . 1 1 45 45 ASP C C 45 174.700 174.700 175.774 -1.074 17767 2323 1 4 . 1 1 45 45 ASP CA C 45 54.719 54.719 53.993 0.726 17767 2324 1 4 . 1 1 45 45 ASP CB C 45 41.270 41.270 41.758 -0.488 17767 2325 1 4 . 1 1 45 45 ASP H H 45 8.870 8.870 8.641 0.229 17767 2326 1 4 . 1 1 46 46 ASP N N 46 120.480 120.480 121.429 -0.949 17767 2327 1 4 . 1 1 46 46 ASP HA H 46 5.230 5.230 5.417 -0.187 17767 2328 1 4 . 1 1 46 46 ASP C C 46 175.070 175.070 174.637 0.433 17767 2329 1 4 . 1 1 46 46 ASP CA C 46 54.132 54.132 54.863 -0.731 17767 2330 1 4 . 1 1 46 46 ASP CB C 46 41.570 41.570 42.127 -0.557 17767 2331 1 4 . 1 1 46 46 ASP H H 46 8.060 8.060 7.568 0.492 17767 2332 1 4 . 1 1 47 47 PHE N N 47 122.730 122.730 123.556 -0.826 17767 2333 1 4 . 1 1 47 47 PHE HA H 47 5.090 5.090 4.888 0.202 17767 2334 1 4 . 1 1 47 47 PHE C C 47 176.400 176.400 174.687 1.713 17767 2335 1 4 . 1 1 47 47 PHE CA C 47 56.420 56.420 55.532 0.888 17767 2336 1 4 . 1 1 47 47 PHE CB C 47 44.150 44.150 42.597 1.553 17767 2337 1 4 . 1 1 47 47 PHE H H 47 9.296 9.296 9.261 0.035 17767 2338 1 4 . 1 1 48 48 VAL N N 48 121.690 121.690 121.505 0.185 17767 2339 1 4 . 1 1 48 48 VAL HA H 48 4.500 4.500 4.389 0.111 17767 2340 1 4 . 1 1 48 48 VAL C C 48 175.700 175.700 174.672 1.028 17767 2341 1 4 . 1 1 48 48 VAL CA C 48 62.930 62.930 61.729 1.201 17767 2342 1 4 . 1 1 48 48 VAL CB C 48 34.670 34.670 32.992 1.678 17767 2343 1 4 . 1 1 48 48 VAL H H 48 8.520 8.520 8.933 -0.413 17767 2344 1 4 . 1 1 49 49 VAL N N 49 127.200 127.200 129.173 -1.973 17767 2345 1 4 . 1 1 49 49 VAL HA H 49 5.250 5.250 4.690 0.560 17767 2346 1 4 . 1 1 49 49 VAL C C 49 175.700 175.700 175.406 0.294 17767 2347 1 4 . 1 1 49 49 VAL CA C 49 61.180 61.180 61.270 -0.090 17767 2348 1 4 . 1 1 49 49 VAL CB C 49 34.660 34.660 33.414 1.246 17767 2349 1 4 . 1 1 49 49 VAL H H 49 9.330 9.330 9.263 0.067 17767 2350 1 4 . 1 1 50 50 THR N N 50 128.500 128.500 124.463 4.037 17767 2351 1 4 . 1 1 50 50 THR HA H 50 5.430 5.430 5.141 0.289 17767 2352 1 4 . 1 1 50 50 THR C C 50 173.810 173.810 173.437 0.373 17767 2353 1 4 . 1 1 50 50 THR CA C 50 61.530 61.530 61.136 0.394 17767 2354 1 4 . 1 1 50 50 THR CB C 50 70.760 70.760 70.079 0.681 17767 2355 1 4 . 1 1 50 50 THR H H 50 9.730 9.730 9.397 0.333 17767 2356 1 4 . 1 1 51 51 SER N N 51 122.730 122.730 122.779 -0.049 17767 2357 1 4 . 1 1 51 51 SER HA H 51 5.430 5.430 4.976 0.454 17767 2358 1 4 . 1 1 51 51 SER C C 51 173.800 173.800 173.550 0.250 17767 2359 1 4 . 1 1 51 51 SER CA C 51 57.060 57.060 56.817 0.243 17767 2360 1 4 . 1 1 51 51 SER CB C 51 64.550 64.550 65.408 -0.858 17767 2361 1 4 . 1 1 51 51 SER H H 51 9.190 9.190 8.733 0.457 17767 2362 1 4 . 1 1 52 52 LYS N N 52 125.550 125.550 126.930 -1.380 17767 2363 1 4 . 1 1 52 52 LYS HA H 52 5.310 5.310 4.318 0.992 17767 2364 1 4 . 1 1 52 52 LYS C C 52 175.900 175.900 176.788 -0.888 17767 2365 1 4 . 1 1 52 52 LYS CA C 52 56.120 56.120 56.302 -0.182 17767 2366 1 4 . 1 1 52 52 LYS CB C 52 36.130 36.130 33.104 3.026 17767 2367 1 4 . 1 1 52 52 LYS H H 52 9.490 9.490 8.764 0.726 17767 2368 1 4 . 1 1 53 53 THR N N 53 115.980 115.980 115.796 0.184 17767 2369 1 4 . 1 1 53 53 THR HA H 53 5.024 5.024 4.748 0.276 17767 2370 1 4 . 1 1 53 53 THR C C 53 173.400 173.400 172.827 0.573 17767 2371 1 4 . 1 1 53 53 THR CA C 53 59.140 59.140 58.471 0.669 17767 2372 1 4 . 1 1 53 53 THR CB C 53 69.300 69.300 70.832 -1.532 17767 2373 1 4 . 1 1 53 53 THR H H 53 8.760 8.760 8.700 0.060 17767 2374 1 4 . 1 1 54 54 PRO HA H 54 4.350 4.350 4.448 -0.098 17767 2375 1 4 . 1 1 54 54 PRO C C 54 177.200 177.200 176.509 0.691 17767 2376 1 4 . 1 1 54 54 PRO CA C 54 66.458 66.458 64.486 1.972 17767 2377 1 4 . 1 1 54 54 PRO CB C 54 32.400 32.400 32.058 0.342 17767 2378 1 4 . 1 1 55 55 ARG N N 55 111.480 111.480 117.307 -5.827 17767 2379 1 4 . 1 1 55 55 ARG HA H 55 4.510 4.510 4.473 0.037 17767 2380 1 4 . 1 1 55 55 ARG C C 55 175.800 175.800 177.395 -1.595 17767 2381 1 4 . 1 1 55 55 ARG CA C 55 55.893 55.893 56.632 -0.739 17767 2382 1 4 . 1 1 55 55 ARG CB C 55 32.520 32.520 31.529 0.991 17767 2383 1 4 . 1 1 55 55 ARG H H 55 8.010 8.010 7.919 0.091 17767 2384 1 4 . 1 1 56 56 GLN N N 56 118.230 118.230 117.019 1.211 17767 2385 1 4 . 1 1 56 56 GLN HA H 56 4.830 4.830 4.631 0.199 17767 2386 1 4 . 1 1 56 56 GLN C C 56 174.200 174.200 174.147 0.053 17767 2387 1 4 . 1 1 56 56 GLN CA C 56 55.610 55.610 54.830 0.780 17767 2388 1 4 . 1 1 56 56 GLN CB C 56 32.880 32.880 33.382 -0.502 17767 2389 1 4 . 1 1 56 56 GLN H H 56 7.530 7.530 8.425 -0.895 17767 2390 1 4 . 1 1 57 57 THR N N 57 120.480 120.480 116.856 3.624 17767 2391 1 4 . 1 1 57 57 THR HA H 57 5.330 5.330 4.956 0.374 17767 2392 1 4 . 1 1 57 57 THR C C 57 174.000 174.000 173.882 0.118 17767 2393 1 4 . 1 1 57 57 THR CA C 57 61.760 61.760 61.811 -0.051 17767 2394 1 4 . 1 1 57 57 THR CB C 57 71.500 71.500 70.033 1.467 17767 2395 1 4 . 1 1 57 57 THR H H 57 8.610 8.610 8.316 0.294 17767 2396 1 4 . 1 1 58 58 VAL N N 58 125.200 125.200 122.685 2.515 17767 2397 1 4 . 1 1 58 58 VAL HA H 58 4.540 4.540 4.567 -0.027 17767 2398 1 4 . 1 1 58 58 VAL C C 58 174.400 174.400 174.577 -0.177 17767 2399 1 4 . 1 1 58 58 VAL CA C 58 61.170 61.170 60.146 1.024 17767 2400 1 4 . 1 1 58 58 VAL CB C 58 35.560 35.560 32.831 2.729 17767 2401 1 4 . 1 1 58 58 VAL H H 58 8.830 8.830 8.608 0.222 17767 2402 1 4 . 1 1 59 59 THR N N 59 125.500 125.500 119.613 5.887 17767 2403 1 4 . 1 1 59 59 THR HA H 59 5.260 5.260 5.101 0.159 17767 2404 1 4 . 1 1 59 59 THR C C 59 173.400 173.400 173.860 -0.460 17767 2405 1 4 . 1 1 59 59 THR CA C 59 61.980 61.980 61.301 0.679 17767 2406 1 4 . 1 1 59 59 THR CB C 59 71.150 71.150 70.643 0.507 17767 2407 1 4 . 1 1 59 59 THR H H 59 8.870 8.870 8.187 0.683 17767 2408 1 4 . 1 1 60 60 ASN N N 60 124.700 124.700 126.233 -1.533 17767 2409 1 4 . 1 1 60 60 ASN HA H 60 5.270 5.270 5.011 0.259 17767 2410 1 4 . 1 1 60 60 ASN C C 60 173.300 173.300 173.579 -0.279 17767 2411 1 4 . 1 1 60 60 ASN CA C 60 53.000 53.000 52.703 0.297 17767 2412 1 4 . 1 1 60 60 ASN CB C 60 44.700 44.700 41.921 2.779 17767 2413 1 4 . 1 1 60 60 ASN H H 60 9.180 9.180 9.221 -0.041 17767 2414 1 4 . 1 1 61 61 SER N N 61 115.980 115.980 118.214 -2.234 17767 2415 1 4 . 1 1 61 61 SER HA H 61 5.430 5.430 5.449 -0.019 17767 2416 1 4 . 1 1 61 61 SER C C 61 173.300 173.300 173.314 -0.014 17767 2417 1 4 . 1 1 61 61 SER CA C 61 57.060 57.060 56.468 0.592 17767 2418 1 4 . 1 1 61 61 SER CB C 61 65.590 65.590 66.139 -0.549 17767 2419 1 4 . 1 1 61 61 SER H H 61 8.840 8.840 8.691 0.149 17767 2420 1 4 . 1 1 62 62 PHE N N 62 117.670 117.670 117.873 -0.203 17767 2421 1 4 . 1 1 62 62 PHE HA H 62 5.020 5.020 4.902 0.118 17767 2422 1 4 . 1 1 62 62 PHE C C 62 173.100 173.100 173.403 -0.303 17767 2423 1 4 . 1 1 62 62 PHE CA C 62 56.590 56.590 56.619 -0.029 17767 2424 1 4 . 1 1 62 62 PHE CB C 62 40.030 40.030 40.440 -0.410 17767 2425 1 4 . 1 1 62 62 PHE H H 62 8.235 8.235 8.686 -0.451 17767 2426 1 4 . 1 1 63 63 THR N N 63 119.920 119.920 116.770 3.150 17767 2427 1 4 . 1 1 63 63 THR HA H 63 5.500 5.500 5.072 0.428 17767 2428 1 4 . 1 1 63 63 THR C C 63 175.600 175.600 174.839 0.761 17767 2429 1 4 . 1 1 63 63 THR CA C 63 61.170 61.170 61.271 -0.101 17767 2430 1 4 . 1 1 63 63 THR CB C 63 72.320 72.320 69.683 2.637 17767 2431 1 4 . 1 1 63 63 THR H H 63 9.650 9.650 8.751 0.899 17767 2432 1 4 . 1 1 64 64 LEU N N 64 126.300 126.300 128.038 -1.738 17767 2433 1 4 . 1 1 64 64 LEU HA H 64 4.430 4.430 3.936 0.494 17767 2434 1 4 . 1 1 64 64 LEU C C 64 178.000 178.000 178.058 -0.058 17767 2435 1 4 . 1 1 64 64 LEU CA C 64 56.100 56.100 56.006 0.094 17767 2436 1 4 . 1 1 64 64 LEU CB C 64 41.330 41.330 40.919 0.411 17767 2437 1 4 . 1 1 64 64 LEU H H 64 9.280 9.280 9.052 0.228 17767 2438 1 4 . 1 1 65 65 GLY N N 65 107.520 107.520 111.840 -4.320 17767 2439 1 4 . 1 1 65 65 GLY C C 65 173.800 173.800 174.242 -0.442 17767 2440 1 4 . 1 1 65 65 GLY CA C 65 45.780 45.780 45.392 0.388 17767 2441 1 4 . 1 1 65 65 GLY H H 65 9.110 9.110 9.069 0.041 17767 2442 1 4 . 1 1 66 66 LYS N N 66 121.600 121.600 119.902 1.698 17767 2443 1 4 . 1 1 66 66 LYS HA H 66 4.780 4.780 4.620 0.160 17767 2444 1 4 . 1 1 66 66 LYS C C 66 175.600 175.600 174.622 0.978 17767 2445 1 4 . 1 1 66 66 LYS CA C 66 54.100 54.100 54.285 -0.185 17767 2446 1 4 . 1 1 66 66 LYS CB C 66 34.620 34.620 34.901 -0.281 17767 2447 1 4 . 1 1 66 66 LYS H H 66 7.910 7.910 7.992 -0.082 17767 2448 1 4 . 1 1 67 67 GLU N N 67 129.400 129.400 121.278 8.122 17767 2449 1 4 . 1 1 67 67 GLU HA H 67 4.070 4.070 4.493 -0.423 17767 2450 1 4 . 1 1 67 67 GLU C C 67 175.030 175.030 175.851 -0.821 17767 2451 1 4 . 1 1 67 67 GLU CA C 67 59.220 59.220 55.295 3.925 17767 2452 1 4 . 1 1 67 67 GLU CB C 67 30.400 30.400 30.660 -0.260 17767 2453 1 4 . 1 1 67 67 GLU H H 67 8.940 8.940 8.525 0.415 17767 2454 1 4 . 1 1 68 68 ALA N N 68 130.940 130.940 130.311 0.629 17767 2455 1 4 . 1 1 68 68 ALA HA H 68 4.900 4.900 4.765 0.135 17767 2456 1 4 . 1 1 68 68 ALA C C 68 176.000 176.000 175.652 0.348 17767 2457 1 4 . 1 1 68 68 ALA CA C 68 51.000 51.000 50.548 0.452 17767 2458 1 4 . 1 1 68 68 ALA CB C 68 22.440 22.440 22.067 0.373 17767 2459 1 4 . 1 1 68 68 ALA H H 68 8.660 8.660 8.165 0.495 17767 2460 1 4 . 1 1 69 69 ASP N N 69 120.500 120.500 122.825 -2.325 17767 2461 1 4 . 1 1 69 69 ASP HA H 69 5.000 5.000 4.929 0.071 17767 2462 1 4 . 1 1 69 69 ASP C C 69 174.400 174.400 175.994 -1.594 17767 2463 1 4 . 1 1 69 69 ASP CA C 69 54.670 54.670 53.425 1.245 17767 2464 1 4 . 1 1 69 69 ASP CB C 69 41.930 41.930 40.528 1.402 17767 2465 1 4 . 1 1 69 69 ASP H H 69 8.330 8.330 8.637 -0.307 17767 2466 1 4 . 1 1 70 70 ILE N N 70 125.540 125.540 118.804 6.736 17767 2467 1 4 . 1 1 70 70 ILE HA H 70 4.510 4.510 4.668 -0.158 17767 2468 1 4 . 1 1 70 70 ILE C C 70 175.300 175.300 174.436 0.864 17767 2469 1 4 . 1 1 70 70 ILE CA C 70 57.690 57.690 59.342 -1.651 17767 2470 1 4 . 1 1 70 70 ILE CB C 70 40.040 40.040 40.951 -0.911 17767 2471 1 4 . 1 1 70 70 ILE H H 70 8.850 8.850 8.963 -0.113 17767 2472 1 4 . 1 1 71 71 THR N N 71 123.860 123.860 117.944 5.916 17767 2473 1 4 . 1 1 71 71 THR HA H 71 5.240 5.240 4.942 0.298 17767 2474 1 4 . 1 1 71 71 THR C C 71 174.600 174.600 174.095 0.505 17767 2475 1 4 . 1 1 71 71 THR CA C 71 61.610 61.610 61.397 0.213 17767 2476 1 4 . 1 1 71 71 THR CB C 71 70.370 70.370 70.204 0.166 17767 2477 1 4 . 1 1 71 71 THR H H 71 9.460 9.460 8.452 1.008 17767 2478 1 4 . 1 1 72 72 THR N N 72 115.980 115.980 120.525 -4.545 17767 2479 1 4 . 1 1 72 72 THR HA H 72 4.550 4.550 4.490 0.060 17767 2480 1 4 . 1 1 72 72 THR C C 72 177.300 177.300 176.381 0.919 17767 2481 1 4 . 1 1 72 72 THR CA C 72 60.550 60.550 61.108 -0.558 17767 2482 1 4 . 1 1 72 72 THR CB C 72 70.710 70.710 70.630 0.080 17767 2483 1 4 . 1 1 72 72 THR H H 72 8.700 8.700 8.502 0.198 17767 2484 1 4 . 1 1 73 73 MET N N 73 119.830 119.830 125.218 -5.388 17767 2485 1 4 . 1 1 73 73 MET HA H 73 4.110 4.110 4.170 -0.060 17767 2486 1 4 . 1 1 73 73 MET C C 73 176.200 176.200 177.073 -0.873 17767 2487 1 4 . 1 1 73 73 MET CA C 73 58.900 58.900 58.366 0.534 17767 2488 1 4 . 1 1 73 73 MET CB C 73 34.760 34.760 32.482 2.278 17767 2489 1 4 . 1 1 73 73 MET H H 73 10.360 10.360 8.718 1.642 17767 2490 1 4 . 1 1 74 74 ASP N N 74 112.220 112.220 118.356 -6.136 17767 2491 1 4 . 1 1 74 74 ASP HA H 74 4.800 4.800 4.375 0.425 17767 2492 1 4 . 1 1 74 74 ASP C C 74 175.600 175.600 177.059 -1.459 17767 2493 1 4 . 1 1 74 74 ASP CA C 74 52.630 52.630 55.230 -2.600 17767 2494 1 4 . 1 1 74 74 ASP CB C 74 38.870 38.870 41.371 -2.501 17767 2495 1 4 . 1 1 74 74 ASP H H 74 8.680 8.680 7.619 1.061 17767 2496 1 4 . 1 1 75 75 GLY N N 75 108.040 108.040 106.228 1.812 17767 2497 1 4 . 1 1 75 75 GLY C C 75 175.000 175.000 173.730 1.270 17767 2498 1 4 . 1 1 75 75 GLY CA C 75 46.400 46.400 44.686 1.714 17767 2499 1 4 . 1 1 75 75 GLY H H 75 7.600 7.600 7.840 -0.240 17767 2500 1 4 . 1 1 76 76 LYS N N 76 120.500 120.500 120.031 0.469 17767 2501 1 4 . 1 1 76 76 LYS HA H 76 4.440 4.440 4.525 -0.085 17767 2502 1 4 . 1 1 76 76 LYS C C 76 175.400 175.400 175.565 -0.165 17767 2503 1 4 . 1 1 76 76 LYS CA C 76 55.240 55.240 54.808 0.432 17767 2504 1 4 . 1 1 76 76 LYS CB C 76 33.500 33.500 35.055 -1.555 17767 2505 1 4 . 1 1 76 76 LYS H H 76 8.260 8.260 7.618 0.642 17767 2506 1 4 . 1 1 77 77 LYS N N 77 119.300 119.300 122.436 -3.136 17767 2507 1 4 . 1 1 77 77 LYS HA H 77 5.370 5.370 4.807 0.563 17767 2508 1 4 . 1 1 77 77 LYS C C 77 176.100 176.100 176.088 0.012 17767 2509 1 4 . 1 1 77 77 LYS CA C 77 54.360 54.360 55.397 -1.037 17767 2510 1 4 . 1 1 77 77 LYS CB C 77 32.840 32.840 32.181 0.659 17767 2511 1 4 . 1 1 77 77 LYS H H 77 8.130 8.130 8.396 -0.266 17767 2512 1 4 . 1 1 78 78 LEU N N 78 123.860 123.860 126.236 -2.376 17767 2513 1 4 . 1 1 78 78 LEU HA H 78 4.910 4.910 4.744 0.166 17767 2514 1 4 . 1 1 78 78 LEU C C 78 175.600 175.600 175.479 0.121 17767 2515 1 4 . 1 1 78 78 LEU CA C 78 53.170 53.170 53.705 -0.535 17767 2516 1 4 . 1 1 78 78 LEU CB C 78 45.780 45.780 45.532 0.248 17767 2517 1 4 . 1 1 78 78 LEU H H 78 9.028 9.028 8.748 0.280 17767 2518 1 4 . 1 1 79 79 LYS N N 79 119.280 119.280 120.643 -1.363 17767 2519 1 4 . 1 1 79 79 LYS HA H 79 5.615 5.615 5.080 0.535 17767 2520 1 4 . 1 1 79 79 LYS C C 79 176.600 176.600 175.721 0.879 17767 2521 1 4 . 1 1 79 79 LYS CA C 79 55.000 55.000 55.666 -0.666 17767 2522 1 4 . 1 1 79 79 LYS CB C 79 36.850 36.850 33.546 3.304 17767 2523 1 4 . 1 1 79 79 LYS H H 79 8.240 8.240 8.286 -0.046 17767 2524 1 4 . 1 1 80 80 CYS N N 80 115.980 115.980 126.914 -10.934 17767 2525 1 4 . 1 1 80 80 CYS HA H 80 4.700 4.700 4.713 -0.013 17767 2526 1 4 . 1 1 80 80 CYS C C 80 173.500 173.500 174.448 -0.948 17767 2527 1 4 . 1 1 80 80 CYS CA C 80 56.500 56.500 57.315 -0.815 17767 2528 1 4 . 1 1 80 80 CYS CB C 80 45.700 45.700 27.199 18.501 17767 2529 1 4 . 1 1 80 80 CYS H H 80 8.306 8.306 8.794 -0.488 17767 2530 1 4 . 1 1 81 81 THR N N 81 122.000 122.000 127.020 -5.020 17767 2531 1 4 . 1 1 81 81 THR HA H 81 4.303 4.303 4.448 -0.145 17767 2532 1 4 . 1 1 81 81 THR C C 81 173.100 173.100 173.381 -0.281 17767 2533 1 4 . 1 1 81 81 THR CA C 81 62.460 62.460 62.044 0.416 17767 2534 1 4 . 1 1 81 81 THR CB C 81 68.200 68.200 67.993 0.206 17767 2535 1 4 . 1 1 81 81 THR H H 81 8.840 8.840 8.666 0.174 17767 2536 1 4 . 1 1 82 82 VAL N N 82 132.160 132.160 125.334 6.826 17767 2537 1 4 . 1 1 82 82 VAL HA H 82 4.449 4.449 5.040 -0.591 17767 2538 1 4 . 1 1 82 82 VAL C C 82 175.100 175.100 174.006 1.094 17767 2539 1 4 . 1 1 82 82 VAL CA C 82 61.760 61.760 58.977 2.783 17767 2540 1 4 . 1 1 82 82 VAL CB C 82 31.200 31.200 35.194 -3.994 17767 2541 1 4 . 1 1 82 82 VAL H H 82 9.520 9.520 7.655 1.865 17767 2542 1 4 . 1 1 83 83 HIS N N 83 123.860 123.860 121.162 2.698 17767 2543 1 4 . 1 1 83 83 HIS HA H 83 5.009 5.009 4.675 0.334 17767 2544 1 4 . 1 1 83 83 HIS C C 83 173.500 173.500 172.518 0.982 17767 2545 1 4 . 1 1 83 83 HIS CA C 83 55.300 55.300 54.448 0.852 17767 2546 1 4 . 1 1 83 83 HIS CB C 83 33.400 33.400 32.081 1.319 17767 2547 1 4 . 1 1 83 83 HIS H H 83 8.740 8.740 8.089 0.651 17767 2548 1 4 . 1 1 84 84 LEU N N 84 121.600 121.600 124.863 -3.263 17767 2549 1 4 . 1 1 84 84 LEU HA H 84 5.420 5.420 4.997 0.423 17767 2550 1 4 . 1 1 84 84 LEU C C 84 176.500 176.500 175.572 0.928 17767 2551 1 4 . 1 1 84 84 LEU CA C 84 53.790 53.790 54.069 -0.279 17767 2552 1 4 . 1 1 84 84 LEU CB C 84 44.740 44.740 42.569 2.171 17767 2553 1 4 . 1 1 84 84 LEU H H 84 8.850 8.850 8.455 0.395 17767 2554 1 4 . 1 1 85 85 ALA N N 85 128.800 128.800 130.719 -1.919 17767 2555 1 4 . 1 1 85 85 ALA HA H 85 4.750 4.750 4.647 0.103 17767 2556 1 4 . 1 1 85 85 ALA C C 85 177.000 177.000 176.620 0.380 17767 2557 1 4 . 1 1 85 85 ALA CA C 85 51.480 51.480 51.211 0.269 17767 2558 1 4 . 1 1 85 85 ALA CB C 85 20.910 20.910 20.743 0.167 17767 2559 1 4 . 1 1 85 85 ALA H H 85 9.230 9.230 8.808 0.422 17767 2560 1 4 . 1 1 86 86 ASN HA H 86 4.430 4.430 4.416 0.014 17767 2561 1 4 . 1 1 86 86 ASN C C 86 175.400 175.400 175.287 0.113 17767 2562 1 4 . 1 1 86 86 ASN CA C 86 54.140 54.140 54.009 0.131 17767 2563 1 4 . 1 1 86 86 ASN CB C 86 37.550 37.550 36.727 0.823 17767 2564 1 4 . 1 1 87 87 GLY N N 87 103.430 103.430 102.455 0.975 17767 2565 1 4 . 1 1 87 87 GLY C C 87 173.800 173.800 173.676 0.124 17767 2566 1 4 . 1 1 87 87 GLY CA C 87 45.670 45.670 45.201 0.469 17767 2567 1 4 . 1 1 87 87 GLY H H 87 8.620 8.620 8.344 0.276 17767 2568 1 4 . 1 1 88 88 LYS N N 88 120.490 120.490 119.131 1.359 17767 2569 1 4 . 1 1 88 88 LYS HA H 88 5.120 5.120 5.365 -0.245 17767 2570 1 4 . 1 1 88 88 LYS C C 88 175.500 175.500 174.484 1.016 17767 2571 1 4 . 1 1 88 88 LYS CA C 88 55.140 55.140 54.406 0.734 17767 2572 1 4 . 1 1 88 88 LYS CB C 88 34.610 34.610 34.865 -0.255 17767 2573 1 4 . 1 1 88 88 LYS H H 88 7.880 7.880 7.741 0.139 17767 2574 1 4 . 1 1 89 89 LEU N N 89 124.420 124.420 122.810 1.610 17767 2575 1 4 . 1 1 89 89 LEU HA H 89 4.730 4.730 4.535 0.195 17767 2576 1 4 . 1 1 89 89 LEU C C 89 176.700 176.700 174.898 1.802 17767 2577 1 4 . 1 1 89 89 LEU CA C 89 54.500 54.500 53.813 0.687 17767 2578 1 4 . 1 1 89 89 LEU CB C 89 44.150 44.150 43.961 0.189 17767 2579 1 4 . 1 1 89 89 LEU H H 89 8.780 8.780 8.467 0.313 17767 2580 1 4 . 1 1 90 90 VAL N N 90 122.500 122.500 124.557 -2.057 17767 2581 1 4 . 1 1 90 90 VAL HA H 90 5.420 5.420 4.575 0.845 17767 2582 1 4 . 1 1 90 90 VAL C C 90 175.200 175.200 174.464 0.736 17767 2583 1 4 . 1 1 90 90 VAL CA C 90 60.350 60.350 60.403 -0.053 17767 2584 1 4 . 1 1 90 90 VAL CB C 90 35.930 35.930 32.130 3.800 17767 2585 1 4 . 1 1 90 90 VAL H H 90 9.050 9.050 8.586 0.464 17767 2586 1 4 . 1 1 91 91 CYS N N 91 123.100 123.100 129.566 -6.466 17767 2587 1 4 . 1 1 91 91 CYS HA H 91 5.370 5.370 4.827 0.543 17767 2588 1 4 . 1 1 91 91 CYS C C 91 172.700 172.700 173.292 -0.592 17767 2589 1 4 . 1 1 91 91 CYS CA C 91 55.230 55.230 56.779 -1.549 17767 2590 1 4 . 1 1 91 91 CYS CB C 91 42.970 42.970 27.285 15.685 17767 2591 1 4 . 1 1 91 91 CYS H H 91 8.820 8.820 8.731 0.089 17767 2592 1 4 . 1 1 92 92 LYS N N 92 128.900 128.900 129.549 -0.649 17767 2593 1 4 . 1 1 92 92 LYS HA H 92 5.000 5.000 4.703 0.297 17767 2594 1 4 . 1 1 92 92 LYS C C 92 174.270 174.270 175.280 -1.010 17767 2595 1 4 . 1 1 92 92 LYS CA C 92 55.360 55.360 55.131 0.229 17767 2596 1 4 . 1 1 92 92 LYS CB C 92 35.960 35.960 35.879 0.081 17767 2597 1 4 . 1 1 92 92 LYS H H 92 9.450 9.450 8.892 0.558 17767 2598 1 4 . 1 1 93 93 SER N N 93 119.300 119.300 120.772 -1.472 17767 2599 1 4 . 1 1 93 93 SER HA H 93 4.710 4.710 4.854 -0.144 17767 2600 1 4 . 1 1 93 93 SER C C 93 174.200 174.200 175.068 -0.868 17767 2601 1 4 . 1 1 93 93 SER CA C 93 55.430 55.430 57.047 -1.617 17767 2602 1 4 . 1 1 93 93 SER CB C 93 66.460 66.460 64.602 1.858 17767 2603 1 4 . 1 1 93 93 SER H H 93 8.620 8.620 8.946 -0.326 17767 2604 1 4 . 1 1 94 94 GLU N N 94 119.900 119.900 120.628 -0.728 17767 2605 1 4 . 1 1 94 94 GLU HA H 94 4.090 4.090 4.349 -0.259 17767 2606 1 4 . 1 1 94 94 GLU C C 94 177.600 177.600 177.535 0.065 17767 2607 1 4 . 1 1 94 94 GLU CA C 94 59.440 59.440 58.466 0.974 17767 2608 1 4 . 1 1 94 94 GLU CB C 94 29.360 29.360 30.111 -0.751 17767 2609 1 4 . 1 1 94 94 GLU H H 94 8.670 8.670 8.639 0.031 17767 2610 1 4 . 1 1 95 95 LYS N N 95 113.500 113.500 117.825 -4.325 17767 2611 1 4 . 1 1 95 95 LYS HA H 95 4.430 4.430 4.156 0.274 17767 2612 1 4 . 1 1 95 95 LYS C C 95 175.980 175.980 174.831 1.149 17767 2613 1 4 . 1 1 95 95 LYS CA C 95 56.180 56.180 55.553 0.627 17767 2614 1 4 . 1 1 95 95 LYS CB C 95 35.220 35.220 32.610 2.610 17767 2615 1 4 . 1 1 95 95 LYS H H 95 8.300 8.300 7.857 0.443 17767 2616 1 4 . 1 1 96 96 PHE N N 96 113.270 113.270 117.083 -3.813 17767 2617 1 4 . 1 1 96 96 PHE HA H 96 5.860 5.860 4.470 1.390 17767 2618 1 4 . 1 1 96 96 PHE C C 96 173.900 173.900 173.854 0.046 17767 2619 1 4 . 1 1 96 96 PHE CA C 96 55.890 55.890 56.296 -0.406 17767 2620 1 4 . 1 1 96 96 PHE CB C 96 43.560 43.560 42.236 1.324 17767 2621 1 4 . 1 1 96 96 PHE H H 96 7.000 7.000 7.418 -0.418 17767 2622 1 4 . 1 1 97 97 SER N N 97 112.050 112.050 114.012 -1.962 17767 2623 1 4 . 1 1 97 97 SER HA H 97 5.220 5.220 4.933 0.287 17767 2624 1 4 . 1 1 97 97 SER C C 97 172.560 172.560 172.834 -0.274 17767 2625 1 4 . 1 1 97 97 SER CA C 97 57.870 57.870 58.155 -0.285 17767 2626 1 4 . 1 1 97 97 SER CB C 97 65.990 65.990 65.469 0.521 17767 2627 1 4 . 1 1 97 97 SER H H 97 8.790 8.790 9.053 -0.263 17767 2628 1 4 . 1 1 98 98 HIS N N 98 126.300 126.300 124.851 1.449 17767 2629 1 4 . 1 1 98 98 HIS HA H 98 5.190 5.190 4.834 0.356 17767 2630 1 4 . 1 1 98 98 HIS C C 98 174.500 174.500 173.579 0.921 17767 2631 1 4 . 1 1 98 98 HIS CA C 98 56.260 56.260 54.694 1.565 17767 2632 1 4 . 1 1 98 98 HIS CB C 98 36.270 36.270 31.908 4.362 17767 2633 1 4 . 1 1 98 98 HIS H H 98 9.190 9.190 9.321 -0.131 17767 2634 1 4 . 1 1 99 99 GLU N N 99 126.670 126.670 128.243 -1.573 17767 2635 1 4 . 1 1 99 99 GLU HA H 99 5.390 5.390 4.873 0.517 17767 2636 1 4 . 1 1 99 99 GLU C C 99 175.400 175.400 175.113 0.287 17767 2637 1 4 . 1 1 99 99 GLU CA C 99 55.000 55.000 54.916 0.084 17767 2638 1 4 . 1 1 99 99 GLU CB C 99 34.000 34.000 32.279 1.722 17767 2639 1 4 . 1 1 99 99 GLU H H 99 8.350 8.350 8.325 0.025 17767 2640 1 4 . 1 1 101 101 GLU N N 101 125.500 125.500 124.141 1.359 17767 2641 1 4 . 1 1 101 101 GLU HA H 101 5.160 5.160 4.756 0.404 17767 2642 1 4 . 1 1 101 101 GLU CA C 101 54.090 54.090 54.209 -0.119 17767 2643 1 4 . 1 1 101 101 GLU CB C 101 34.800 34.800 33.172 1.629 17767 2644 1 4 . 1 1 101 101 GLU H H 101 8.900 8.900 9.100 -0.200 17767 2645 1 4 . 1 1 102 102 VAL N N 102 124.420 124.420 125.657 -1.237 17767 2646 1 4 . 1 1 102 102 VAL HA H 102 4.630 4.630 4.239 0.391 17767 2647 1 4 . 1 1 102 102 VAL C C 102 175.200 175.200 175.574 -0.374 17767 2648 1 4 . 1 1 102 102 VAL CA C 102 61.380 61.380 61.042 0.338 17767 2649 1 4 . 1 1 102 102 VAL CB C 102 34.100 34.100 32.125 1.975 17767 2650 1 4 . 1 1 102 102 VAL H H 102 8.790 8.790 8.557 0.233 17767 2651 1 4 . 1 1 103 103 LYS N N 103 129.480 129.480 129.006 0.474 17767 2652 1 4 . 1 1 103 103 LYS HA H 103 4.570 4.570 4.523 0.047 17767 2653 1 4 . 1 1 103 103 LYS C C 103 176.500 176.500 176.864 -0.364 17767 2654 1 4 . 1 1 103 103 LYS CA C 103 55.340 55.340 55.206 0.134 17767 2655 1 4 . 1 1 103 103 LYS CB C 103 33.760 33.760 33.202 0.558 17767 2656 1 4 . 1 1 103 103 LYS H H 103 8.950 8.950 8.946 0.004 17767 2657 1 4 . 1 1 104 104 GLY N N 104 116.700 116.700 116.448 0.252 17767 2658 1 4 . 1 1 104 104 GLY C C 104 174.500 174.500 174.309 0.191 17767 2659 1 4 . 1 1 104 104 GLY CA C 104 47.680 47.680 46.524 1.156 17767 2660 1 4 . 1 1 104 104 GLY H H 104 9.140 9.140 8.832 0.308 17767 2661 1 4 . 1 1 105 105 ASN N N 105 125.540 125.540 125.880 -0.340 17767 2662 1 4 . 1 1 105 105 ASN HA H 105 5.000 5.000 4.903 0.097 17767 2663 1 4 . 1 1 105 105 ASN CA C 105 53.130 53.130 52.838 0.292 17767 2664 1 4 . 1 1 105 105 ASN CB C 105 39.060 39.060 39.592 -0.532 17767 2665 1 4 . 1 1 105 105 ASN H H 105 9.030 9.030 8.425 0.605 17767 2666 1 4 . 1 1 106 106 GLU N N 106 120.480 120.480 119.094 1.386 17767 2667 1 4 . 1 1 106 106 GLU HA H 106 5.550 5.550 5.093 0.457 17767 2668 1 4 . 1 1 106 106 GLU CA C 106 55.550 55.550 55.233 0.317 17767 2669 1 4 . 1 1 106 106 GLU CB C 106 33.160 33.160 34.361 -1.201 17767 2670 1 4 . 1 1 106 106 GLU H H 106 8.100 8.100 7.887 0.213 17767 2671 1 4 . 1 1 107 107 MET N N 107 124.080 124.080 122.513 1.567 17767 2672 1 4 . 1 1 107 107 MET HA H 107 5.120 5.120 5.206 -0.086 17767 2673 1 4 . 1 1 107 107 MET CA C 107 53.700 53.700 54.122 -0.422 17767 2674 1 4 . 1 1 107 107 MET CB C 107 36.800 36.800 36.081 0.719 17767 2675 1 4 . 1 1 107 107 MET H H 107 8.930 8.930 8.896 0.034 17767 2676 1 4 . 1 1 108 108 VAL N N 108 126.820 126.820 126.147 0.673 17767 2677 1 4 . 1 1 108 108 VAL HA H 108 5.250 5.250 4.787 0.463 17767 2678 1 4 . 1 1 108 108 VAL CA C 108 61.340 61.340 59.485 1.855 17767 2679 1 4 . 1 1 108 108 VAL CB C 108 34.900 34.900 35.091 -0.191 17767 2680 1 4 . 1 1 108 108 VAL H H 108 9.017 9.017 9.141 -0.124 17767 2681 1 4 . 1 1 109 109 GLU N N 109 128.300 128.300 128.719 -0.419 17767 2682 1 4 . 1 1 109 109 GLU HA H 109 5.040 5.040 5.383 -0.343 17767 2683 1 4 . 1 1 109 109 GLU C C 109 174.410 174.410 175.037 -0.627 17767 2684 1 4 . 1 1 109 109 GLU CA C 109 54.440 54.440 54.192 0.248 17767 2685 1 4 . 1 1 109 109 GLU CB C 109 34.760 34.760 33.616 1.144 17767 2686 1 4 . 1 1 109 109 GLU H H 109 9.100 9.100 8.846 0.254 17767 2687 1 4 . 1 1 110 110 THR N N 110 120.760 120.760 120.605 0.155 17767 2688 1 4 . 1 1 110 110 THR HA H 110 4.850 4.850 4.896 -0.046 17767 2689 1 4 . 1 1 110 110 THR C C 110 174.900 174.900 173.651 1.249 17767 2690 1 4 . 1 1 110 110 THR CA C 110 61.980 61.980 61.849 0.132 17767 2691 1 4 . 1 1 110 110 THR CB C 110 69.520 69.520 70.026 -0.506 17767 2692 1 4 . 1 1 110 110 THR H H 110 8.876 8.876 8.834 0.042 17767 2693 1 4 . 1 1 111 111 ILE N N 111 131.030 131.030 127.260 3.770 17767 2694 1 4 . 1 1 111 111 ILE HA H 111 5.240 5.240 4.429 0.811 17767 2695 1 4 . 1 1 111 111 ILE C C 111 174.600 174.600 174.685 -0.085 17767 2696 1 4 . 1 1 111 111 ILE CA C 111 60.310 60.310 59.103 1.206 17767 2697 1 4 . 1 1 111 111 ILE CB C 111 41.220 41.220 40.773 0.447 17767 2698 1 4 . 1 1 111 111 ILE H H 111 9.490 9.490 8.474 1.016 17767 2699 1 4 . 1 1 112 112 THR N N 112 122.800 122.800 117.522 5.278 17767 2700 1 4 . 1 1 112 112 THR HA H 112 5.960 5.960 5.077 0.883 17767 2701 1 4 . 1 1 112 112 THR C C 112 174.370 174.370 173.292 1.078 17767 2702 1 4 . 1 1 112 112 THR CA C 112 61.180 61.180 61.551 -0.371 17767 2703 1 4 . 1 1 112 112 THR CB C 112 71.250 71.250 70.432 0.818 17767 2704 1 4 . 1 1 112 112 THR H H 112 9.490 9.490 8.420 1.070 17767 2705 1 4 . 1 1 113 113 PHE N N 113 124.980 124.980 123.995 0.985 17767 2706 1 4 . 1 1 113 113 PHE HA H 113 4.820 4.820 4.876 -0.056 17767 2707 1 4 . 1 1 113 113 PHE C C 113 175.700 175.700 175.773 -0.073 17767 2708 1 4 . 1 1 113 113 PHE CA C 113 58.800 58.800 58.182 0.618 17767 2709 1 4 . 1 1 113 113 PHE CB C 113 43.480 43.480 43.138 0.342 17767 2710 1 4 . 1 1 113 113 PHE H H 113 9.000 9.000 8.607 0.393 17767 2711 1 4 . 1 1 114 114 GLY N N 114 116.550 116.550 111.299 5.251 17767 2712 1 4 . 1 1 114 114 GLY C C 114 175.300 175.300 174.677 0.623 17767 2713 1 4 . 1 1 114 114 GLY CA C 114 46.840 46.840 45.966 0.874 17767 2714 1 4 . 1 1 114 114 GLY H H 114 8.410 8.410 9.255 -0.845 17767 2715 1 4 . 1 1 115 115 GLY N N 115 105.640 105.640 105.862 -0.222 17767 2716 1 4 . 1 1 115 115 GLY C C 115 174.200 174.200 173.887 0.313 17767 2717 1 4 . 1 1 115 115 GLY CA C 115 44.890 44.890 44.980 -0.090 17767 2718 1 4 . 1 1 115 115 GLY H H 115 8.560 8.560 8.188 0.372 17767 2719 1 4 . 1 1 116 116 VAL N N 116 123.600 123.600 121.363 2.237 17767 2720 1 4 . 1 1 116 116 VAL HA H 116 4.310 4.310 4.390 -0.080 17767 2721 1 4 . 1 1 116 116 VAL C C 116 174.640 174.640 174.651 -0.011 17767 2722 1 4 . 1 1 116 116 VAL CA C 116 62.250 62.250 61.004 1.246 17767 2723 1 4 . 1 1 116 116 VAL CB C 116 34.170 34.170 34.196 -0.026 17767 2724 1 4 . 1 1 116 116 VAL H H 116 8.164 8.164 7.853 0.311 17767 2725 1 4 . 1 1 117 117 THR N N 117 123.270 123.270 123.841 -0.571 17767 2726 1 4 . 1 1 117 117 THR HA H 117 5.250 5.250 4.659 0.591 17767 2727 1 4 . 1 1 117 117 THR C C 117 173.800 173.800 173.509 0.291 17767 2728 1 4 . 1 1 117 117 THR CA C 117 61.900 61.900 61.986 -0.085 17767 2729 1 4 . 1 1 117 117 THR CB C 117 70.450 70.450 68.768 1.682 17767 2730 1 4 . 1 1 117 117 THR H H 117 8.770 8.770 8.480 0.290 17767 2731 1 4 . 1 1 118 118 LEU N N 118 132.800 132.800 129.539 3.261 17767 2732 1 4 . 1 1 118 118 LEU HA H 118 4.880 4.880 4.481 0.399 17767 2733 1 4 . 1 1 118 118 LEU C C 118 175.200 175.200 174.584 0.616 17767 2734 1 4 . 1 1 118 118 LEU CA C 118 53.570 53.570 53.739 -0.169 17767 2735 1 4 . 1 1 118 118 LEU CB C 118 44.730 44.730 42.945 1.785 17767 2736 1 4 . 1 1 118 118 LEU H H 118 9.700 9.700 7.711 1.989 17767 2737 1 4 . 1 1 119 119 ILE N N 119 124.980 124.980 128.838 -3.858 17767 2738 1 4 . 1 1 119 119 ILE HA H 119 5.240 5.240 4.458 0.782 17767 2739 1 4 . 1 1 119 119 ILE C C 119 175.900 175.900 175.610 0.290 17767 2740 1 4 . 1 1 119 119 ILE CA C 119 59.340 59.340 60.831 -1.491 17767 2741 1 4 . 1 1 119 119 ILE CB C 119 39.550 39.550 38.771 0.779 17767 2742 1 4 . 1 1 119 119 ILE H H 119 7.800 7.800 8.053 -0.253 17767 2743 1 4 . 1 1 120 120 ARG N N 120 126.110 126.110 127.533 -1.423 17767 2744 1 4 . 1 1 120 120 ARG HA H 120 5.040 5.040 4.710 0.330 17767 2745 1 4 . 1 1 120 120 ARG C C 120 175.300 175.300 174.515 0.785 17767 2746 1 4 . 1 1 120 120 ARG CA C 120 54.990 54.990 53.886 1.104 17767 2747 1 4 . 1 1 120 120 ARG CB C 120 34.760 34.760 33.431 1.329 17767 2748 1 4 . 1 1 120 120 ARG H H 120 9.400 9.400 8.937 0.463 17767 2749 1 4 . 1 1 121 121 ARG N N 121 126.600 126.600 122.112 4.488 17767 2750 1 4 . 1 1 121 121 ARG HA H 121 5.350 5.350 4.685 0.665 17767 2751 1 4 . 1 1 121 121 ARG C C 121 175.020 175.020 174.831 0.189 17767 2752 1 4 . 1 1 121 121 ARG CA C 121 55.250 55.250 54.566 0.684 17767 2753 1 4 . 1 1 121 121 ARG CB C 121 31.830 31.830 31.415 0.415 17767 2754 1 4 . 1 1 121 121 ARG H H 121 9.110 9.110 8.601 0.509 17767 2755 1 4 . 1 1 122 122 SER N N 122 118.200 118.200 117.971 0.229 17767 2756 1 4 . 1 1 122 122 SER HA H 122 5.730 5.730 5.710 0.020 17767 2757 1 4 . 1 1 122 122 SER C C 122 173.010 173.010 173.375 -0.365 17767 2758 1 4 . 1 1 122 122 SER CA C 122 58.100 58.100 56.451 1.649 17767 2759 1 4 . 1 1 122 122 SER CB C 122 66.850 66.850 65.916 0.934 17767 2760 1 4 . 1 1 122 122 SER H H 122 9.290 9.290 9.062 0.228 17767 2761 1 4 . 1 1 123 123 LYS N N 123 120.480 120.480 123.290 -2.810 17767 2762 1 4 . 1 1 123 123 LYS HA H 123 5.780 5.780 5.111 0.669 17767 2763 1 4 . 1 1 123 123 LYS C C 123 175.600 175.600 175.581 0.019 17767 2764 1 4 . 1 1 123 123 LYS CA C 123 54.130 54.130 54.834 -0.704 17767 2765 1 4 . 1 1 123 123 LYS CB C 123 36.330 36.330 35.825 0.505 17767 2766 1 4 . 1 1 123 123 LYS H H 123 8.650 8.650 9.012 -0.362 17767 2767 1 4 . 1 1 124 124 ARG N N 124 124.980 124.980 125.014 -0.034 17767 2768 1 4 . 1 1 124 124 ARG HA H 124 3.940 3.940 4.826 -0.886 17767 2769 1 4 . 1 1 124 124 ARG C C 124 176.500 176.500 175.863 0.637 17767 2770 1 4 . 1 1 124 124 ARG CA C 124 56.900 56.900 56.130 0.770 17767 2771 1 4 . 1 1 124 124 ARG CB C 124 30.380 30.380 31.442 -1.062 17767 2772 1 4 . 1 1 124 124 ARG H H 124 8.200 8.200 8.922 -0.722 17767 2773 1 5 . 1 1 2 2 PHE HA H 2 4.460 4.460 4.558 -0.098 17767 2774 1 5 . 1 1 2 2 PHE C C 2 175.900 175.900 176.074 -0.174 17767 2775 1 5 . 1 1 2 2 PHE CA C 2 61.170 61.170 59.329 1.841 17767 2776 1 5 . 1 1 2 2 PHE CB C 2 40.690 40.690 39.934 0.756 17767 2777 1 5 . 1 1 3 3 SER N N 3 111.380 111.380 115.000 -3.620 17767 2778 1 5 . 1 1 3 3 SER HA H 3 4.420 4.420 4.257 0.163 17767 2779 1 5 . 1 1 3 3 SER C C 3 174.700 174.700 174.674 0.026 17767 2780 1 5 . 1 1 3 3 SER CA C 3 60.000 60.000 59.266 0.734 17767 2781 1 5 . 1 1 3 3 SER CB C 3 64.140 64.140 62.282 1.858 17767 2782 1 5 . 1 1 3 3 SER H H 3 7.968 7.968 8.097 -0.129 17767 2783 1 5 . 1 1 4 4 GLY N N 4 111.480 111.480 111.944 -0.464 17767 2784 1 5 . 1 1 4 4 GLY C C 4 171.800 171.800 171.329 0.471 17767 2785 1 5 . 1 1 4 4 GLY CA C 4 44.150 44.150 45.499 -1.349 17767 2786 1 5 . 1 1 4 4 GLY H H 4 9.080 9.080 8.135 0.945 17767 2787 1 5 . 1 1 5 5 THR N N 5 117.770 117.770 113.477 4.293 17767 2788 1 5 . 1 1 5 5 THR HA H 5 4.980 4.980 5.002 -0.022 17767 2789 1 5 . 1 1 5 5 THR C C 5 173.190 173.190 172.973 0.217 17767 2790 1 5 . 1 1 5 5 THR CA C 5 62.930 62.930 60.263 2.667 17767 2791 1 5 . 1 1 5 5 THR CB C 5 69.310 69.310 70.674 -1.364 17767 2792 1 5 . 1 1 5 5 THR H H 5 8.270 8.270 7.579 0.691 17767 2793 1 5 . 1 1 6 6 TRP N N 6 127.500 127.500 126.237 1.263 17767 2794 1 5 . 1 1 6 6 TRP HA H 6 5.130 5.130 5.219 -0.089 17767 2795 1 5 . 1 1 6 6 TRP CA C 6 55.300 55.300 55.657 -0.358 17767 2796 1 5 . 1 1 6 6 TRP CB C 6 32.290 32.290 31.351 0.939 17767 2797 1 5 . 1 1 6 6 TRP H H 6 9.560 9.560 8.787 0.773 17767 2798 1 5 . 1 1 7 7 GLN HA H 7 4.970 4.970 4.791 0.179 17767 2799 1 5 . 1 1 7 7 GLN C C 7 175.900 175.900 174.939 0.961 17767 2800 1 5 . 1 1 7 7 GLN CA C 7 54.720 54.720 54.819 -0.099 17767 2801 1 5 . 1 1 7 7 GLN CB C 7 32.400 32.400 30.080 2.320 17767 2802 1 5 . 1 1 8 8 VAL N N 8 131.400 131.400 125.109 6.291 17767 2803 1 5 . 1 1 8 8 VAL HA H 8 4.450 4.450 4.642 -0.192 17767 2804 1 5 . 1 1 8 8 VAL CA C 8 63.500 63.500 62.109 1.391 17767 2805 1 5 . 1 1 8 8 VAL CB C 8 32.300 32.300 32.067 0.233 17767 2806 1 5 . 1 1 8 8 VAL H H 8 8.270 8.270 8.321 -0.051 17767 2807 1 5 . 1 1 9 9 TYR N N 9 123.300 123.300 121.256 2.044 17767 2808 1 5 . 1 1 9 9 TYR HA H 9 5.140 5.140 4.897 0.243 17767 2809 1 5 . 1 1 9 9 TYR C C 9 174.600 174.600 173.375 1.225 17767 2810 1 5 . 1 1 9 9 TYR CA C 9 56.600 56.600 56.646 -0.046 17767 2811 1 5 . 1 1 9 9 TYR CB C 9 40.880 40.880 39.761 1.119 17767 2812 1 5 . 1 1 9 9 TYR H H 9 9.570 9.570 9.266 0.304 17767 2813 1 5 . 1 1 10 10 ALA N N 10 125.800 125.800 128.252 -2.452 17767 2814 1 5 . 1 1 10 10 ALA HA H 10 4.680 4.680 4.419 0.261 17767 2815 1 5 . 1 1 10 10 ALA C C 10 175.200 175.200 175.887 -0.687 17767 2816 1 5 . 1 1 10 10 ALA CA C 10 51.780 51.780 52.125 -0.345 17767 2817 1 5 . 1 1 10 10 ALA CB C 10 22.070 22.070 20.825 1.245 17767 2818 1 5 . 1 1 10 10 ALA H H 10 7.330 7.330 8.048 -0.718 17767 2819 1 5 . 1 1 11 11 GLN N N 11 118.300 118.300 118.570 -0.270 17767 2820 1 5 . 1 1 11 11 GLN HA H 11 5.370 5.370 4.727 0.643 17767 2821 1 5 . 1 1 11 11 GLN C C 11 174.700 174.700 174.924 -0.224 17767 2822 1 5 . 1 1 11 11 GLN CA C 11 54.460 54.460 55.226 -0.766 17767 2823 1 5 . 1 1 11 11 GLN CB C 11 32.870 32.870 29.332 3.538 17767 2824 1 5 . 1 1 11 11 GLN H H 11 8.700 8.700 8.523 0.177 17767 2825 1 5 . 1 1 12 12 GLU N N 12 123.800 123.800 118.946 4.854 17767 2826 1 5 . 1 1 12 12 GLU HA H 12 4.600 4.600 4.494 0.106 17767 2827 1 5 . 1 1 12 12 GLU C C 12 175.700 175.700 176.493 -0.793 17767 2828 1 5 . 1 1 12 12 GLU CA C 12 55.300 55.300 55.143 0.157 17767 2829 1 5 . 1 1 12 12 GLU CB C 12 31.760 31.760 30.561 1.199 17767 2830 1 5 . 1 1 12 12 GLU H H 12 9.130 9.130 8.055 1.075 17767 2831 1 5 . 1 1 13 13 ASN N N 13 117.550 117.550 119.847 -2.297 17767 2832 1 5 . 1 1 13 13 ASN HA H 13 4.790 4.790 4.735 0.055 17767 2833 1 5 . 1 1 13 13 ASN C C 13 175.600 175.600 175.193 0.407 17767 2834 1 5 . 1 1 13 13 ASN CA C 13 54.100 54.100 53.142 0.958 17767 2835 1 5 . 1 1 13 13 ASN CB C 13 37.100 37.100 36.708 0.392 17767 2836 1 5 . 1 1 13 13 ASN H H 13 9.130 9.130 8.821 0.309 17767 2837 1 5 . 1 1 14 14 TYR N N 14 118.280 118.280 123.687 -5.407 17767 2838 1 5 . 1 1 14 14 TYR HA H 14 4.360 4.360 4.199 0.161 17767 2839 1 5 . 1 1 14 14 TYR C C 14 176.500 176.500 176.500 0.000 17767 2840 1 5 . 1 1 14 14 TYR CA C 14 60.590 60.590 63.399 -2.809 17767 2841 1 5 . 1 1 14 14 TYR CB C 14 39.450 39.450 38.843 0.607 17767 2842 1 5 . 1 1 14 14 TYR H H 14 7.900 7.900 8.436 -0.536 17767 2843 1 5 . 1 1 15 15 GLU N N 15 118.600 118.600 118.007 0.593 17767 2844 1 5 . 1 1 15 15 GLU HA H 15 3.550 3.550 4.009 -0.459 17767 2845 1 5 . 1 1 15 15 GLU C C 15 178.500 178.500 178.559 -0.059 17767 2846 1 5 . 1 1 15 15 GLU CA C 15 61.170 61.170 60.021 1.149 17767 2847 1 5 . 1 1 15 15 GLU CB C 15 28.700 28.700 28.449 0.251 17767 2848 1 5 . 1 1 15 15 GLU H H 15 8.960 8.960 9.209 -0.249 17767 2849 1 5 . 1 1 16 16 GLU N N 16 118.800 118.800 120.199 -1.399 17767 2850 1 5 . 1 1 16 16 GLU HA H 16 3.880 3.880 4.087 -0.207 17767 2851 1 5 . 1 1 16 16 GLU C C 16 178.600 178.600 178.543 0.057 17767 2852 1 5 . 1 1 16 16 GLU CA C 16 60.300 60.300 58.815 1.485 17767 2853 1 5 . 1 1 16 16 GLU CB C 16 28.600 28.600 29.575 -0.975 17767 2854 1 5 . 1 1 16 16 GLU H H 16 9.090 9.090 8.157 0.933 17767 2855 1 5 . 1 1 17 17 PHE N N 17 124.200 124.200 119.682 4.518 17767 2856 1 5 . 1 1 17 17 PHE HA H 17 3.960 3.960 4.267 -0.307 17767 2857 1 5 . 1 1 17 17 PHE C C 17 176.400 176.400 177.660 -1.260 17767 2858 1 5 . 1 1 17 17 PHE CA C 17 62.350 62.350 59.510 2.840 17767 2859 1 5 . 1 1 17 17 PHE CB C 17 40.380 40.380 38.942 1.438 17767 2860 1 5 . 1 1 17 17 PHE H H 17 8.410 8.410 7.936 0.474 17767 2861 1 5 . 1 1 18 18 LEU N N 18 116.400 116.400 120.162 -3.762 17767 2862 1 5 . 1 1 18 18 LEU HA H 18 3.780 3.780 3.511 0.269 17767 2863 1 5 . 1 1 18 18 LEU C C 18 178.800 178.800 178.283 0.517 17767 2864 1 5 . 1 1 18 18 LEU CA C 18 58.240 58.240 57.840 0.401 17767 2865 1 5 . 1 1 18 18 LEU CB C 18 41.220 41.220 41.171 0.049 17767 2866 1 5 . 1 1 18 18 LEU H H 18 8.200 8.200 7.738 0.462 17767 2867 1 5 . 1 1 19 19 LYS N N 19 116.590 116.590 115.597 0.993 17767 2868 1 5 . 1 1 19 19 LYS HA H 19 4.040 4.040 4.132 -0.092 17767 2869 1 5 . 1 1 19 19 LYS C C 19 179.800 179.800 178.598 1.202 17767 2870 1 5 . 1 1 19 19 LYS CA C 19 58.820 58.820 58.386 0.434 17767 2871 1 5 . 1 1 19 19 LYS CB C 19 32.150 32.150 31.971 0.179 17767 2872 1 5 . 1 1 19 19 LYS H H 19 7.790 7.790 7.692 0.098 17767 2873 1 5 . 1 1 20 20 ALA N N 20 126.110 126.110 121.081 5.029 17767 2874 1 5 . 1 1 20 20 ALA HA H 20 4.160 4.160 4.339 -0.179 17767 2875 1 5 . 1 1 20 20 ALA C C 20 178.600 178.600 177.449 1.151 17767 2876 1 5 . 1 1 20 20 ALA CA C 20 55.300 55.300 53.211 2.089 17767 2877 1 5 . 1 1 20 20 ALA CB C 20 17.700 17.700 18.775 -1.075 17767 2878 1 5 . 1 1 20 20 ALA H H 20 7.990 7.990 7.468 0.522 17767 2879 1 5 . 1 1 21 21 LEU N N 21 117.110 117.110 117.513 -0.403 17767 2880 1 5 . 1 1 21 21 LEU HA H 21 3.688 3.688 4.378 -0.690 17767 2881 1 5 . 1 1 21 21 LEU C C 21 176.100 176.100 175.736 0.364 17767 2882 1 5 . 1 1 21 21 LEU CA C 21 55.400 55.400 53.386 2.014 17767 2883 1 5 . 1 1 21 21 LEU CB C 21 42.700 42.700 41.357 1.343 17767 2884 1 5 . 1 1 21 21 LEU H H 21 7.380 7.380 7.104 0.276 17767 2885 1 5 . 1 1 22 22 ALA N N 22 118.800 118.800 119.782 -0.982 17767 2886 1 5 . 1 1 22 22 ALA HA H 22 3.985 3.985 3.979 0.006 17767 2887 1 5 . 1 1 22 22 ALA C C 22 177.000 177.000 176.866 0.134 17767 2888 1 5 . 1 1 22 22 ALA CA C 22 52.370 52.370 52.808 -0.438 17767 2889 1 5 . 1 1 22 22 ALA CB C 22 15.960 15.960 16.954 -0.995 17767 2890 1 5 . 1 1 22 22 ALA H H 22 7.920 7.920 7.438 0.482 17767 2891 1 5 . 1 1 23 23 LEU N N 23 118.470 118.470 119.741 -1.271 17767 2892 1 5 . 1 1 23 23 LEU HA H 23 4.425 4.425 4.539 -0.114 17767 2893 1 5 . 1 1 23 23 LEU C C 23 174.500 174.500 175.202 -0.702 17767 2894 1 5 . 1 1 23 23 LEU CA C 23 54.130 54.130 51.888 2.242 17767 2895 1 5 . 1 1 23 23 LEU CB C 23 41.220 41.220 42.671 -1.451 17767 2896 1 5 . 1 1 23 23 LEU H H 23 6.950 6.950 7.437 -0.487 17767 2897 1 5 . 1 1 24 24 PRO HA H 24 4.475 4.475 4.514 -0.039 17767 2898 1 5 . 1 1 24 24 PRO C C 24 177.500 177.500 177.421 0.079 17767 2899 1 5 . 1 1 24 24 PRO CA C 24 62.940 62.940 62.328 0.612 17767 2900 1 5 . 1 1 24 24 PRO CB C 24 32.600 32.600 32.535 0.065 17767 2901 1 5 . 1 1 25 25 GLU N N 25 122.500 122.500 123.266 -0.766 17767 2902 1 5 . 1 1 25 25 GLU HA H 25 3.860 3.860 3.901 -0.041 17767 2903 1 5 . 1 1 25 25 GLU C C 25 177.900 177.900 178.190 -0.290 17767 2904 1 5 . 1 1 25 25 GLU CA C 25 60.100 60.100 60.341 -0.241 17767 2905 1 5 . 1 1 25 25 GLU CB C 25 29.690 29.690 29.388 0.302 17767 2906 1 5 . 1 1 25 25 GLU H H 25 8.840 8.840 8.973 -0.133 17767 2907 1 5 . 1 1 26 26 ASP N N 26 117.110 117.110 118.799 -1.689 17767 2908 1 5 . 1 1 26 26 ASP HA H 26 4.360 4.360 4.400 -0.040 17767 2909 1 5 . 1 1 26 26 ASP C C 26 177.900 177.900 178.536 -0.636 17767 2910 1 5 . 1 1 26 26 ASP CA C 26 57.080 57.080 57.043 0.037 17767 2911 1 5 . 1 1 26 26 ASP CB C 26 40.040 40.040 40.570 -0.530 17767 2912 1 5 . 1 1 26 26 ASP H H 26 8.920 8.920 8.582 0.338 17767 2913 1 5 . 1 1 27 27 LEU N N 27 121.990 121.990 120.580 1.410 17767 2914 1 5 . 1 1 27 27 LEU HA H 27 4.270 4.270 4.252 0.018 17767 2915 1 5 . 1 1 27 27 LEU C C 27 178.070 178.070 178.551 -0.481 17767 2916 1 5 . 1 1 27 27 LEU CA C 27 57.650 57.650 56.827 0.823 17767 2917 1 5 . 1 1 27 27 LEU CB C 27 42.230 42.230 42.621 -0.391 17767 2918 1 5 . 1 1 27 27 LEU H H 27 7.220 7.220 7.427 -0.207 17767 2919 1 5 . 1 1 28 28 ILE N N 28 120.350 120.350 120.775 -0.425 17767 2920 1 5 . 1 1 28 28 ILE HA H 28 3.317 3.317 3.495 -0.178 17767 2921 1 5 . 1 1 28 28 ILE C C 28 177.400 177.400 177.973 -0.573 17767 2922 1 5 . 1 1 28 28 ILE CA C 28 67.040 67.040 65.789 1.251 17767 2923 1 5 . 1 1 28 28 ILE CB C 28 37.110 37.110 37.499 -0.389 17767 2924 1 5 . 1 1 28 28 ILE H H 28 7.900 7.900 8.394 -0.494 17767 2925 1 5 . 1 1 29 29 LYS N N 29 117.110 117.110 118.112 -1.002 17767 2926 1 5 . 1 1 29 29 LYS HA H 29 3.947 3.947 4.010 -0.063 17767 2927 1 5 . 1 1 29 29 LYS C C 29 178.900 178.900 178.388 0.512 17767 2928 1 5 . 1 1 29 29 LYS CA C 29 60.000 60.000 59.561 0.439 17767 2929 1 5 . 1 1 29 29 LYS CB C 29 32.390 32.390 32.457 -0.067 17767 2930 1 5 . 1 1 29 29 LYS H H 29 7.850 7.850 7.879 -0.029 17767 2931 1 5 . 1 1 30 30 MET N N 30 117.110 117.110 115.136 1.974 17767 2932 1 5 . 1 1 30 30 MET HA H 30 4.320 4.320 4.528 -0.208 17767 2933 1 5 . 1 1 30 30 MET C C 30 177.500 177.500 178.339 -0.839 17767 2934 1 5 . 1 1 30 30 MET CA C 30 57.650 57.650 57.911 -0.261 17767 2935 1 5 . 1 1 30 30 MET CB C 30 32.970 32.970 33.213 -0.243 17767 2936 1 5 . 1 1 30 30 MET H H 30 7.450 7.450 7.406 0.044 17767 2937 1 5 . 1 1 31 31 ALA N N 31 120.480 120.480 123.424 -2.944 17767 2938 1 5 . 1 1 31 31 ALA HA H 31 4.270 4.270 4.148 0.122 17767 2939 1 5 . 1 1 31 31 ALA CA C 31 53.545 53.545 54.762 -1.217 17767 2940 1 5 . 1 1 31 31 ALA CB C 31 19.290 19.290 18.342 0.948 17767 2941 1 5 . 1 1 31 31 ALA H H 31 8.420 8.420 8.866 -0.446 17767 2942 1 5 . 1 1 32 32 ARG N N 32 122.170 122.170 115.372 6.798 17767 2943 1 5 . 1 1 32 32 ARG HA H 32 4.109 4.109 3.862 0.247 17767 2944 1 5 . 1 1 32 32 ARG C C 32 176.500 176.500 176.891 -0.391 17767 2945 1 5 . 1 1 32 32 ARG CA C 32 61.170 61.170 58.663 2.507 17767 2946 1 5 . 1 1 32 32 ARG CB C 32 30.600 30.600 30.138 0.462 17767 2947 1 5 . 1 1 32 32 ARG H H 32 7.770 7.770 7.586 0.184 17767 2948 1 5 . 1 1 33 33 ASP N N 33 116.550 116.550 116.211 0.339 17767 2949 1 5 . 1 1 33 33 ASP HA H 33 4.920 4.920 4.632 0.288 17767 2950 1 5 . 1 1 33 33 ASP C C 33 175.900 175.900 176.199 -0.299 17767 2951 1 5 . 1 1 33 33 ASP CA C 33 54.130 54.130 53.898 0.232 17767 2952 1 5 . 1 1 33 33 ASP CB C 33 41.760 41.760 42.148 -0.388 17767 2953 1 5 . 1 1 33 33 ASP H H 33 8.330 8.330 7.745 0.585 17767 2954 1 5 . 1 1 34 34 ILE N N 34 120.060 120.060 122.469 -2.409 17767 2955 1 5 . 1 1 34 34 ILE HA H 34 4.120 4.120 3.925 0.195 17767 2956 1 5 . 1 1 34 34 ILE C C 34 176.100 176.100 175.113 0.987 17767 2957 1 5 . 1 1 34 34 ILE CA C 34 61.170 61.170 62.058 -0.888 17767 2958 1 5 . 1 1 34 34 ILE CB C 34 37.860 37.860 36.422 1.438 17767 2959 1 5 . 1 1 34 34 ILE H H 34 7.240 7.240 7.226 0.014 17767 2960 1 5 . 1 1 35 35 LYS N N 35 131.170 131.170 126.920 4.250 17767 2961 1 5 . 1 1 35 35 LYS HA H 35 4.700 4.700 4.783 -0.083 17767 2962 1 5 . 1 1 35 35 LYS C C 35 173.700 173.700 174.539 -0.839 17767 2963 1 5 . 1 1 35 35 LYS CA C 35 52.970 52.970 54.549 -1.579 17767 2964 1 5 . 1 1 35 35 LYS CB C 35 32.750 32.750 32.517 0.232 17767 2965 1 5 . 1 1 35 35 LYS H H 35 8.980 8.980 8.130 0.850 17767 2966 1 5 . 1 1 36 36 PRO HA H 36 4.510 4.510 4.515 -0.005 17767 2967 1 5 . 1 1 36 36 PRO CA C 36 63.523 63.523 61.991 1.532 17767 2968 1 5 . 1 1 36 36 PRO CB C 36 32.840 32.840 32.903 -0.062 17767 2969 1 5 . 1 1 37 37 ILE HA H 37 4.920 4.920 4.236 0.684 17767 2970 1 5 . 1 1 37 37 ILE C C 37 175.500 175.500 175.284 0.216 17767 2971 1 5 . 1 1 37 37 ILE CA C 37 60.588 60.588 59.965 0.623 17767 2972 1 5 . 1 1 37 37 ILE CB C 37 40.630 40.630 39.232 1.398 17767 2973 1 5 . 1 1 38 38 VAL N N 38 129.000 129.000 129.622 -0.622 17767 2974 1 5 . 1 1 38 38 VAL HA H 38 5.120 5.120 4.253 0.867 17767 2975 1 5 . 1 1 38 38 VAL C C 38 175.100 175.100 175.178 -0.078 17767 2976 1 5 . 1 1 38 38 VAL CA C 38 61.176 61.176 61.313 -0.137 17767 2977 1 5 . 1 1 38 38 VAL CB C 38 34.850 34.850 31.490 3.360 17767 2978 1 5 . 1 1 38 38 VAL H H 38 9.540 9.540 9.128 0.412 17767 2979 1 5 . 1 1 39 39 GLU N N 39 128.350 128.350 129.171 -0.821 17767 2980 1 5 . 1 1 39 39 GLU HA H 39 5.440 5.440 4.602 0.838 17767 2981 1 5 . 1 1 39 39 GLU C C 39 176.000 176.000 174.685 1.315 17767 2982 1 5 . 1 1 39 39 GLU CA C 39 54.720 54.720 56.653 -1.933 17767 2983 1 5 . 1 1 39 39 GLU CB C 39 32.410 32.410 31.154 1.256 17767 2984 1 5 . 1 1 39 39 GLU H H 39 9.590 9.590 8.295 1.295 17767 2985 1 5 . 1 1 40 40 ILE N N 40 126.110 126.110 125.448 0.662 17767 2986 1 5 . 1 1 40 40 ILE HA H 40 5.050 5.050 4.921 0.129 17767 2987 1 5 . 1 1 40 40 ILE C C 40 175.800 175.800 173.121 2.679 17767 2988 1 5 . 1 1 40 40 ILE CA C 40 61.330 61.330 58.958 2.372 17767 2989 1 5 . 1 1 40 40 ILE CB C 40 40.160 40.160 41.999 -1.839 17767 2990 1 5 . 1 1 40 40 ILE H H 40 9.630 9.630 8.575 1.055 17767 2991 1 5 . 1 1 41 41 GLN N N 41 128.360 128.360 127.253 1.107 17767 2992 1 5 . 1 1 41 41 GLN HA H 41 4.720 4.720 4.799 -0.079 17767 2993 1 5 . 1 1 41 41 GLN C C 41 173.900 173.900 173.494 0.406 17767 2994 1 5 . 1 1 41 41 GLN CA C 41 54.940 54.940 54.285 0.655 17767 2995 1 5 . 1 1 41 41 GLN CB C 41 31.820 31.820 31.715 0.105 17767 2996 1 5 . 1 1 41 41 GLN H H 41 9.270 9.270 8.745 0.525 17767 2997 1 5 . 1 1 42 42 GLN N N 42 126.110 126.110 122.721 3.389 17767 2998 1 5 . 1 1 42 42 GLN HA H 42 4.380 4.380 4.671 -0.291 17767 2999 1 5 . 1 1 42 42 GLN C C 42 174.700 174.700 175.341 -0.641 17767 3000 1 5 . 1 1 42 42 GLN CA C 42 54.150 54.150 54.054 0.096 17767 3001 1 5 . 1 1 42 42 GLN CB C 42 30.000 30.000 30.870 -0.870 17767 3002 1 5 . 1 1 42 42 GLN H H 42 8.250 8.250 8.268 -0.018 17767 3003 1 5 . 1 1 43 43 LYS N N 43 130.610 130.610 120.282 10.328 17767 3004 1 5 . 1 1 43 43 LYS HA H 43 4.460 4.460 4.377 0.083 17767 3005 1 5 . 1 1 43 43 LYS C C 43 176.030 176.030 175.779 0.251 17767 3006 1 5 . 1 1 43 43 LYS CA C 43 55.306 55.306 56.230 -0.924 17767 3007 1 5 . 1 1 43 43 LYS CB C 43 33.270 33.270 33.313 -0.043 17767 3008 1 5 . 1 1 43 43 LYS H H 43 8.820 8.820 8.263 0.557 17767 3009 1 5 . 1 1 44 44 GLY N N 44 117.110 117.110 111.873 5.237 17767 3010 1 5 . 1 1 44 44 GLY C C 44 174.300 174.300 174.131 0.169 17767 3011 1 5 . 1 1 44 44 GLY CA C 44 47.480 47.480 45.832 1.648 17767 3012 1 5 . 1 1 44 44 GLY H H 44 8.940 8.940 8.361 0.579 17767 3013 1 5 . 1 1 45 45 ASP N N 45 127.799 127.799 124.289 3.510 17767 3014 1 5 . 1 1 45 45 ASP HA H 45 4.870 4.870 4.980 -0.110 17767 3015 1 5 . 1 1 45 45 ASP C C 45 174.700 174.700 174.803 -0.103 17767 3016 1 5 . 1 1 45 45 ASP CA C 45 54.719 54.719 54.651 0.068 17767 3017 1 5 . 1 1 45 45 ASP CB C 45 41.270 41.270 43.546 -2.276 17767 3018 1 5 . 1 1 45 45 ASP H H 45 8.870 8.870 8.397 0.473 17767 3019 1 5 . 1 1 46 46 ASP N N 46 120.480 120.480 121.847 -1.367 17767 3020 1 5 . 1 1 46 46 ASP HA H 46 5.230 5.230 5.277 -0.047 17767 3021 1 5 . 1 1 46 46 ASP C C 46 175.070 175.070 174.929 0.141 17767 3022 1 5 . 1 1 46 46 ASP CA C 46 54.132 54.132 54.733 -0.601 17767 3023 1 5 . 1 1 46 46 ASP CB C 46 41.570 41.570 41.719 -0.150 17767 3024 1 5 . 1 1 46 46 ASP H H 46 8.060 8.060 7.965 0.095 17767 3025 1 5 . 1 1 47 47 PHE N N 47 122.730 122.730 123.493 -0.763 17767 3026 1 5 . 1 1 47 47 PHE HA H 47 5.090 5.090 4.492 0.598 17767 3027 1 5 . 1 1 47 47 PHE C C 47 176.400 176.400 174.646 1.754 17767 3028 1 5 . 1 1 47 47 PHE CA C 47 56.420 56.420 55.586 0.834 17767 3029 1 5 . 1 1 47 47 PHE CB C 47 44.150 44.150 41.873 2.277 17767 3030 1 5 . 1 1 47 47 PHE H H 47 9.296 9.296 9.069 0.227 17767 3031 1 5 . 1 1 48 48 VAL N N 48 121.690 121.690 122.003 -0.313 17767 3032 1 5 . 1 1 48 48 VAL HA H 48 4.500 4.500 4.424 0.076 17767 3033 1 5 . 1 1 48 48 VAL C C 48 175.700 175.700 174.828 0.872 17767 3034 1 5 . 1 1 48 48 VAL CA C 48 62.930 62.930 61.687 1.243 17767 3035 1 5 . 1 1 48 48 VAL CB C 48 34.670 34.670 33.108 1.562 17767 3036 1 5 . 1 1 48 48 VAL H H 48 8.520 8.520 8.797 -0.277 17767 3037 1 5 . 1 1 49 49 VAL N N 49 127.200 127.200 122.785 4.415 17767 3038 1 5 . 1 1 49 49 VAL HA H 49 5.250 5.250 5.095 0.155 17767 3039 1 5 . 1 1 49 49 VAL C C 49 175.700 175.700 175.309 0.391 17767 3040 1 5 . 1 1 49 49 VAL CA C 49 61.180 61.180 59.846 1.334 17767 3041 1 5 . 1 1 49 49 VAL CB C 49 34.660 34.660 33.931 0.729 17767 3042 1 5 . 1 1 49 49 VAL H H 49 9.330 9.330 8.879 0.451 17767 3043 1 5 . 1 1 50 50 THR N N 50 128.500 128.500 121.409 7.091 17767 3044 1 5 . 1 1 50 50 THR HA H 50 5.430 5.430 5.169 0.261 17767 3045 1 5 . 1 1 50 50 THR C C 50 173.810 173.810 173.530 0.280 17767 3046 1 5 . 1 1 50 50 THR CA C 50 61.530 61.530 61.395 0.135 17767 3047 1 5 . 1 1 50 50 THR CB C 50 70.760 70.760 71.174 -0.414 17767 3048 1 5 . 1 1 50 50 THR H H 50 9.730 9.730 9.049 0.681 17767 3049 1 5 . 1 1 51 51 SER N N 51 122.730 122.730 122.019 0.711 17767 3050 1 5 . 1 1 51 51 SER HA H 51 5.430 5.430 4.896 0.534 17767 3051 1 5 . 1 1 51 51 SER C C 51 173.800 173.800 173.853 -0.053 17767 3052 1 5 . 1 1 51 51 SER CA C 51 57.060 57.060 57.068 -0.007 17767 3053 1 5 . 1 1 51 51 SER CB C 51 64.550 64.550 64.842 -0.292 17767 3054 1 5 . 1 1 51 51 SER H H 51 9.190 9.190 8.325 0.865 17767 3055 1 5 . 1 1 52 52 LYS N N 52 125.550 125.550 125.096 0.454 17767 3056 1 5 . 1 1 52 52 LYS HA H 52 5.310 5.310 4.541 0.769 17767 3057 1 5 . 1 1 52 52 LYS C C 52 175.900 175.900 175.207 0.693 17767 3058 1 5 . 1 1 52 52 LYS CA C 52 56.120 56.120 55.498 0.622 17767 3059 1 5 . 1 1 52 52 LYS CB C 52 36.130 36.130 33.751 2.379 17767 3060 1 5 . 1 1 52 52 LYS H H 52 9.490 9.490 8.681 0.809 17767 3061 1 5 . 1 1 53 53 THR N N 53 115.980 115.980 116.528 -0.548 17767 3062 1 5 . 1 1 53 53 THR HA H 53 5.024 5.024 4.740 0.284 17767 3063 1 5 . 1 1 53 53 THR C C 53 173.400 173.400 172.939 0.461 17767 3064 1 5 . 1 1 53 53 THR CA C 53 59.140 59.140 58.558 0.582 17767 3065 1 5 . 1 1 53 53 THR CB C 53 69.300 69.300 70.726 -1.426 17767 3066 1 5 . 1 1 53 53 THR H H 53 8.760 8.760 7.959 0.801 17767 3067 1 5 . 1 1 54 54 PRO HA H 54 4.350 4.350 4.351 -0.001 17767 3068 1 5 . 1 1 54 54 PRO C C 54 177.200 177.200 177.021 0.179 17767 3069 1 5 . 1 1 54 54 PRO CA C 54 66.458 66.458 64.599 1.859 17767 3070 1 5 . 1 1 54 54 PRO CB C 54 32.400 32.400 32.020 0.380 17767 3071 1 5 . 1 1 55 55 ARG N N 55 111.480 111.480 115.920 -4.440 17767 3072 1 5 . 1 1 55 55 ARG HA H 55 4.510 4.510 4.497 0.013 17767 3073 1 5 . 1 1 55 55 ARG C C 55 175.800 175.800 176.808 -1.008 17767 3074 1 5 . 1 1 55 55 ARG CA C 55 55.893 55.893 56.575 -0.682 17767 3075 1 5 . 1 1 55 55 ARG CB C 55 32.520 32.520 31.939 0.581 17767 3076 1 5 . 1 1 55 55 ARG H H 55 8.010 8.010 7.778 0.232 17767 3077 1 5 . 1 1 56 56 GLN N N 56 118.230 118.230 116.437 1.793 17767 3078 1 5 . 1 1 56 56 GLN HA H 56 4.830 4.830 4.546 0.284 17767 3079 1 5 . 1 1 56 56 GLN C C 56 174.200 174.200 174.119 0.081 17767 3080 1 5 . 1 1 56 56 GLN CA C 56 55.610 55.610 55.272 0.338 17767 3081 1 5 . 1 1 56 56 GLN CB C 56 32.880 32.880 32.515 0.365 17767 3082 1 5 . 1 1 56 56 GLN H H 56 7.530 7.530 8.219 -0.689 17767 3083 1 5 . 1 1 57 57 THR N N 57 120.480 120.480 115.914 4.566 17767 3084 1 5 . 1 1 57 57 THR HA H 57 5.330 5.330 4.996 0.334 17767 3085 1 5 . 1 1 57 57 THR C C 57 174.000 174.000 174.947 -0.947 17767 3086 1 5 . 1 1 57 57 THR CA C 57 61.760 61.760 61.806 -0.046 17767 3087 1 5 . 1 1 57 57 THR CB C 57 71.500 71.500 69.304 2.196 17767 3088 1 5 . 1 1 57 57 THR H H 57 8.610 8.610 8.375 0.235 17767 3089 1 5 . 1 1 58 58 VAL N N 58 125.200 125.200 119.927 5.273 17767 3090 1 5 . 1 1 58 58 VAL HA H 58 4.540 4.540 4.597 -0.057 17767 3091 1 5 . 1 1 58 58 VAL C C 58 174.400 174.400 174.422 -0.022 17767 3092 1 5 . 1 1 58 58 VAL CA C 58 61.170 61.170 59.906 1.264 17767 3093 1 5 . 1 1 58 58 VAL CB C 58 35.560 35.560 34.904 0.656 17767 3094 1 5 . 1 1 58 58 VAL H H 58 8.830 8.830 8.469 0.361 17767 3095 1 5 . 1 1 59 59 THR N N 59 125.500 125.500 116.304 9.196 17767 3096 1 5 . 1 1 59 59 THR HA H 59 5.260 5.260 5.186 0.074 17767 3097 1 5 . 1 1 59 59 THR C C 59 173.400 173.400 174.121 -0.721 17767 3098 1 5 . 1 1 59 59 THR CA C 59 61.980 61.980 61.285 0.695 17767 3099 1 5 . 1 1 59 59 THR CB C 59 71.150 71.150 71.502 -0.352 17767 3100 1 5 . 1 1 59 59 THR H H 59 8.870 8.870 8.411 0.459 17767 3101 1 5 . 1 1 60 60 ASN N N 60 124.700 124.700 124.207 0.493 17767 3102 1 5 . 1 1 60 60 ASN HA H 60 5.270 5.270 5.134 0.136 17767 3103 1 5 . 1 1 60 60 ASN C C 60 173.300 173.300 173.894 -0.594 17767 3104 1 5 . 1 1 60 60 ASN CA C 60 53.000 53.000 52.792 0.208 17767 3105 1 5 . 1 1 60 60 ASN CB C 60 44.700 44.700 42.365 2.335 17767 3106 1 5 . 1 1 60 60 ASN H H 60 9.180 9.180 8.507 0.673 17767 3107 1 5 . 1 1 61 61 SER N N 61 115.980 115.980 118.946 -2.966 17767 3108 1 5 . 1 1 61 61 SER HA H 61 5.430 5.430 5.560 -0.130 17767 3109 1 5 . 1 1 61 61 SER C C 61 173.300 173.300 173.494 -0.194 17767 3110 1 5 . 1 1 61 61 SER CA C 61 57.060 57.060 56.762 0.298 17767 3111 1 5 . 1 1 61 61 SER CB C 61 65.590 65.590 65.897 -0.307 17767 3112 1 5 . 1 1 61 61 SER H H 61 8.840 8.840 8.656 0.184 17767 3113 1 5 . 1 1 62 62 PHE N N 62 117.670 117.670 118.383 -0.713 17767 3114 1 5 . 1 1 62 62 PHE HA H 62 5.020 5.020 4.913 0.107 17767 3115 1 5 . 1 1 62 62 PHE C C 62 173.100 173.100 173.191 -0.091 17767 3116 1 5 . 1 1 62 62 PHE CA C 62 56.590 56.590 56.502 0.089 17767 3117 1 5 . 1 1 62 62 PHE CB C 62 40.030 40.030 40.770 -0.740 17767 3118 1 5 . 1 1 62 62 PHE H H 62 8.235 8.235 8.698 -0.463 17767 3119 1 5 . 1 1 63 63 THR N N 63 119.920 119.920 116.371 3.549 17767 3120 1 5 . 1 1 63 63 THR HA H 63 5.500 5.500 4.949 0.551 17767 3121 1 5 . 1 1 63 63 THR C C 63 175.600 175.600 174.507 1.093 17767 3122 1 5 . 1 1 63 63 THR CA C 63 61.170 61.170 61.400 -0.230 17767 3123 1 5 . 1 1 63 63 THR CB C 63 72.320 72.320 70.306 2.014 17767 3124 1 5 . 1 1 63 63 THR H H 63 9.650 9.650 8.807 0.843 17767 3125 1 5 . 1 1 64 64 LEU N N 64 126.300 126.300 128.068 -1.768 17767 3126 1 5 . 1 1 64 64 LEU HA H 64 4.430 4.430 3.996 0.434 17767 3127 1 5 . 1 1 64 64 LEU C C 64 178.000 178.000 178.488 -0.488 17767 3128 1 5 . 1 1 64 64 LEU CA C 64 56.100 56.100 56.171 -0.071 17767 3129 1 5 . 1 1 64 64 LEU CB C 64 41.330 41.330 40.839 0.491 17767 3130 1 5 . 1 1 64 64 LEU H H 64 9.280 9.280 8.968 0.312 17767 3131 1 5 . 1 1 65 65 GLY N N 65 107.520 107.520 112.441 -4.921 17767 3132 1 5 . 1 1 65 65 GLY C C 65 173.800 173.800 173.436 0.364 17767 3133 1 5 . 1 1 65 65 GLY CA C 65 45.780 45.780 44.988 0.792 17767 3134 1 5 . 1 1 65 65 GLY H H 65 9.110 9.110 9.107 0.003 17767 3135 1 5 . 1 1 66 66 LYS N N 66 121.600 121.600 120.127 1.473 17767 3136 1 5 . 1 1 66 66 LYS HA H 66 4.780 4.780 4.637 0.143 17767 3137 1 5 . 1 1 66 66 LYS C C 66 175.600 175.600 175.297 0.303 17767 3138 1 5 . 1 1 66 66 LYS CA C 66 54.100 54.100 54.718 -0.619 17767 3139 1 5 . 1 1 66 66 LYS CB C 66 34.620 34.620 35.906 -1.286 17767 3140 1 5 . 1 1 66 66 LYS H H 66 7.910 7.910 7.937 -0.027 17767 3141 1 5 . 1 1 67 67 GLU N N 67 129.400 129.400 123.727 5.673 17767 3142 1 5 . 1 1 67 67 GLU HA H 67 4.070 4.070 4.414 -0.344 17767 3143 1 5 . 1 1 67 67 GLU C C 67 175.030 175.030 175.415 -0.385 17767 3144 1 5 . 1 1 67 67 GLU CA C 67 59.220 59.220 55.957 3.263 17767 3145 1 5 . 1 1 67 67 GLU CB C 67 30.400 30.400 29.937 0.463 17767 3146 1 5 . 1 1 67 67 GLU H H 67 8.940 8.940 8.782 0.158 17767 3147 1 5 . 1 1 68 68 ALA N N 68 130.940 130.940 130.113 0.827 17767 3148 1 5 . 1 1 68 68 ALA HA H 68 4.900 4.900 4.687 0.213 17767 3149 1 5 . 1 1 68 68 ALA C C 68 176.000 176.000 175.624 0.376 17767 3150 1 5 . 1 1 68 68 ALA CA C 68 51.000 51.000 50.509 0.491 17767 3151 1 5 . 1 1 68 68 ALA CB C 68 22.440 22.440 21.882 0.558 17767 3152 1 5 . 1 1 68 68 ALA H H 68 8.660 8.660 8.276 0.384 17767 3153 1 5 . 1 1 69 69 ASP N N 69 120.500 120.500 123.423 -2.923 17767 3154 1 5 . 1 1 69 69 ASP HA H 69 5.000 5.000 4.804 0.196 17767 3155 1 5 . 1 1 69 69 ASP C C 69 174.400 174.400 176.200 -1.800 17767 3156 1 5 . 1 1 69 69 ASP CA C 69 54.670 54.670 54.191 0.479 17767 3157 1 5 . 1 1 69 69 ASP CB C 69 41.930 41.930 41.304 0.625 17767 3158 1 5 . 1 1 69 69 ASP H H 69 8.330 8.330 8.635 -0.305 17767 3159 1 5 . 1 1 70 70 ILE N N 70 125.540 125.540 122.397 3.143 17767 3160 1 5 . 1 1 70 70 ILE HA H 70 4.510 4.510 4.609 -0.099 17767 3161 1 5 . 1 1 70 70 ILE C C 70 175.300 175.300 174.143 1.157 17767 3162 1 5 . 1 1 70 70 ILE CA C 70 57.690 57.690 59.341 -1.651 17767 3163 1 5 . 1 1 70 70 ILE CB C 70 40.040 40.040 41.244 -1.204 17767 3164 1 5 . 1 1 70 70 ILE H H 70 8.850 8.850 8.592 0.258 17767 3165 1 5 . 1 1 71 71 THR N N 71 123.860 123.860 117.110 6.750 17767 3166 1 5 . 1 1 71 71 THR HA H 71 5.240 5.240 4.979 0.261 17767 3167 1 5 . 1 1 71 71 THR C C 71 174.600 174.600 174.264 0.336 17767 3168 1 5 . 1 1 71 71 THR CA C 71 61.610 61.610 61.507 0.103 17767 3169 1 5 . 1 1 71 71 THR CB C 71 70.370 70.370 70.356 0.015 17767 3170 1 5 . 1 1 71 71 THR H H 71 9.460 9.460 9.059 0.401 17767 3171 1 5 . 1 1 72 72 THR N N 72 115.980 115.980 119.297 -3.317 17767 3172 1 5 . 1 1 72 72 THR HA H 72 4.550 4.550 4.465 0.085 17767 3173 1 5 . 1 1 72 72 THR C C 72 177.300 177.300 176.827 0.473 17767 3174 1 5 . 1 1 72 72 THR CA C 72 60.550 60.550 61.000 -0.450 17767 3175 1 5 . 1 1 72 72 THR CB C 72 70.710 70.710 70.204 0.506 17767 3176 1 5 . 1 1 72 72 THR H H 72 8.700 8.700 8.144 0.556 17767 3177 1 5 . 1 1 73 73 MET N N 73 119.830 119.830 124.026 -4.196 17767 3178 1 5 . 1 1 73 73 MET HA H 73 4.110 4.110 4.398 -0.288 17767 3179 1 5 . 1 1 73 73 MET C C 73 176.200 176.200 175.479 0.721 17767 3180 1 5 . 1 1 73 73 MET CA C 73 58.900 58.900 57.650 1.250 17767 3181 1 5 . 1 1 73 73 MET CB C 73 34.760 34.760 32.035 2.725 17767 3182 1 5 . 1 1 73 73 MET H H 73 10.360 10.360 8.691 1.669 17767 3183 1 5 . 1 1 74 74 ASP N N 74 112.220 112.220 119.022 -6.802 17767 3184 1 5 . 1 1 74 74 ASP HA H 74 4.800 4.800 4.596 0.204 17767 3185 1 5 . 1 1 74 74 ASP C C 74 175.600 175.600 177.250 -1.650 17767 3186 1 5 . 1 1 74 74 ASP CA C 74 52.630 52.630 54.077 -1.447 17767 3187 1 5 . 1 1 74 74 ASP CB C 74 38.870 38.870 40.797 -1.927 17767 3188 1 5 . 1 1 74 74 ASP H H 74 8.680 8.680 7.638 1.042 17767 3189 1 5 . 1 1 75 75 GLY N N 75 108.040 108.040 108.442 -0.402 17767 3190 1 5 . 1 1 75 75 GLY C C 75 175.000 175.000 174.046 0.954 17767 3191 1 5 . 1 1 75 75 GLY CA C 75 46.400 46.400 45.322 1.077 17767 3192 1 5 . 1 1 75 75 GLY H H 75 7.600 7.600 7.874 -0.274 17767 3193 1 5 . 1 1 76 76 LYS N N 76 120.500 120.500 120.901 -0.401 17767 3194 1 5 . 1 1 76 76 LYS HA H 76 4.440 4.440 4.547 -0.107 17767 3195 1 5 . 1 1 76 76 LYS C C 76 175.400 175.400 175.048 0.352 17767 3196 1 5 . 1 1 76 76 LYS CA C 76 55.240 55.240 54.402 0.838 17767 3197 1 5 . 1 1 76 76 LYS CB C 76 33.500 33.500 34.956 -1.456 17767 3198 1 5 . 1 1 76 76 LYS H H 76 8.260 8.260 7.559 0.701 17767 3199 1 5 . 1 1 77 77 LYS N N 77 119.300 119.300 126.115 -6.815 17767 3200 1 5 . 1 1 77 77 LYS HA H 77 5.370 5.370 4.479 0.891 17767 3201 1 5 . 1 1 77 77 LYS C C 77 176.100 176.100 175.861 0.239 17767 3202 1 5 . 1 1 77 77 LYS CA C 77 54.360 54.360 56.459 -2.099 17767 3203 1 5 . 1 1 77 77 LYS CB C 77 32.840 32.840 32.333 0.507 17767 3204 1 5 . 1 1 77 77 LYS H H 77 8.130 8.130 8.566 -0.436 17767 3205 1 5 . 1 1 78 78 LEU N N 78 123.860 123.860 127.775 -3.915 17767 3206 1 5 . 1 1 78 78 LEU HA H 78 4.910 4.910 4.836 0.074 17767 3207 1 5 . 1 1 78 78 LEU C C 78 175.600 175.600 175.475 0.125 17767 3208 1 5 . 1 1 78 78 LEU CA C 78 53.170 53.170 53.718 -0.548 17767 3209 1 5 . 1 1 78 78 LEU CB C 78 45.780 45.780 46.811 -1.031 17767 3210 1 5 . 1 1 78 78 LEU H H 78 9.028 9.028 8.154 0.874 17767 3211 1 5 . 1 1 79 79 LYS N N 79 119.280 119.280 120.618 -1.338 17767 3212 1 5 . 1 1 79 79 LYS HA H 79 5.615 5.615 5.094 0.521 17767 3213 1 5 . 1 1 79 79 LYS C C 79 176.600 176.600 175.465 1.135 17767 3214 1 5 . 1 1 79 79 LYS CA C 79 55.000 55.000 55.335 -0.335 17767 3215 1 5 . 1 1 79 79 LYS CB C 79 36.850 36.850 33.694 3.156 17767 3216 1 5 . 1 1 79 79 LYS H H 79 8.240 8.240 8.366 -0.126 17767 3217 1 5 . 1 1 80 80 CYS N N 80 115.980 115.980 124.806 -8.826 17767 3218 1 5 . 1 1 80 80 CYS HA H 80 4.700 4.700 4.686 0.014 17767 3219 1 5 . 1 1 80 80 CYS C C 80 173.500 173.500 175.838 -2.338 17767 3220 1 5 . 1 1 80 80 CYS CA C 80 56.500 56.500 58.295 -1.795 17767 3221 1 5 . 1 1 80 80 CYS CB C 80 45.700 45.700 27.644 18.056 17767 3222 1 5 . 1 1 80 80 CYS H H 80 8.306 8.306 8.613 -0.307 17767 3223 1 5 . 1 1 81 81 THR N N 81 122.000 122.000 124.218 -2.218 17767 3224 1 5 . 1 1 81 81 THR HA H 81 4.303 4.303 4.515 -0.212 17767 3225 1 5 . 1 1 81 81 THR C C 81 173.100 173.100 174.457 -1.357 17767 3226 1 5 . 1 1 81 81 THR CA C 81 62.460 62.460 61.058 1.402 17767 3227 1 5 . 1 1 81 81 THR CB C 81 68.200 68.200 67.513 0.687 17767 3228 1 5 . 1 1 81 81 THR H H 81 8.840 8.840 8.782 0.058 17767 3229 1 5 . 1 1 82 82 VAL N N 82 132.160 132.160 124.261 7.899 17767 3230 1 5 . 1 1 82 82 VAL HA H 82 4.449 4.449 3.943 0.506 17767 3231 1 5 . 1 1 82 82 VAL C C 82 175.100 175.100 175.042 0.058 17767 3232 1 5 . 1 1 82 82 VAL CA C 82 61.760 61.760 63.432 -1.672 17767 3233 1 5 . 1 1 82 82 VAL CB C 82 31.200 31.200 31.180 0.020 17767 3234 1 5 . 1 1 82 82 VAL H H 82 9.520 9.520 7.480 2.040 17767 3235 1 5 . 1 1 83 83 HIS N N 83 123.860 123.860 120.955 2.905 17767 3236 1 5 . 1 1 83 83 HIS HA H 83 5.009 5.009 4.962 0.047 17767 3237 1 5 . 1 1 83 83 HIS C C 83 173.500 173.500 173.120 0.380 17767 3238 1 5 . 1 1 83 83 HIS CA C 83 55.300 55.300 53.819 1.481 17767 3239 1 5 . 1 1 83 83 HIS CB C 83 33.400 33.400 32.647 0.753 17767 3240 1 5 . 1 1 83 83 HIS H H 83 8.740 8.740 8.776 -0.036 17767 3241 1 5 . 1 1 84 84 LEU N N 84 121.600 121.600 124.004 -2.404 17767 3242 1 5 . 1 1 84 84 LEU HA H 84 5.420 5.420 4.545 0.875 17767 3243 1 5 . 1 1 84 84 LEU C C 84 176.500 176.500 175.498 1.002 17767 3244 1 5 . 1 1 84 84 LEU CA C 84 53.790 53.790 54.478 -0.688 17767 3245 1 5 . 1 1 84 84 LEU CB C 84 44.740 44.740 43.474 1.266 17767 3246 1 5 . 1 1 84 84 LEU H H 84 8.850 8.850 8.573 0.277 17767 3247 1 5 . 1 1 85 85 ALA N N 85 128.800 128.800 129.475 -0.675 17767 3248 1 5 . 1 1 85 85 ALA HA H 85 4.750 4.750 4.607 0.143 17767 3249 1 5 . 1 1 85 85 ALA C C 85 177.000 177.000 176.692 0.308 17767 3250 1 5 . 1 1 85 85 ALA CA C 85 51.480 51.480 52.147 -0.667 17767 3251 1 5 . 1 1 85 85 ALA CB C 85 20.910 20.910 20.630 0.280 17767 3252 1 5 . 1 1 85 85 ALA H H 85 9.230 9.230 8.640 0.590 17767 3253 1 5 . 1 1 86 86 ASN HA H 86 4.430 4.430 4.445 -0.015 17767 3254 1 5 . 1 1 86 86 ASN C C 86 175.400 175.400 175.461 -0.061 17767 3255 1 5 . 1 1 86 86 ASN CA C 86 54.140 54.140 53.921 0.219 17767 3256 1 5 . 1 1 86 86 ASN CB C 86 37.550 37.550 37.257 0.293 17767 3257 1 5 . 1 1 87 87 GLY N N 87 103.430 103.430 102.808 0.622 17767 3258 1 5 . 1 1 87 87 GLY C C 87 173.800 173.800 173.189 0.611 17767 3259 1 5 . 1 1 87 87 GLY CA C 87 45.670 45.670 45.237 0.433 17767 3260 1 5 . 1 1 87 87 GLY H H 87 8.620 8.620 8.475 0.145 17767 3261 1 5 . 1 1 88 88 LYS N N 88 120.490 120.490 120.557 -0.067 17767 3262 1 5 . 1 1 88 88 LYS HA H 88 5.120 5.120 5.194 -0.074 17767 3263 1 5 . 1 1 88 88 LYS C C 88 175.500 175.500 174.885 0.615 17767 3264 1 5 . 1 1 88 88 LYS CA C 88 55.140 55.140 54.645 0.495 17767 3265 1 5 . 1 1 88 88 LYS CB C 88 34.610 34.610 35.023 -0.413 17767 3266 1 5 . 1 1 88 88 LYS H H 88 7.880 7.880 7.463 0.417 17767 3267 1 5 . 1 1 89 89 LEU N N 89 124.420 124.420 129.373 -4.953 17767 3268 1 5 . 1 1 89 89 LEU HA H 89 4.730 4.730 4.228 0.502 17767 3269 1 5 . 1 1 89 89 LEU C C 89 176.700 176.700 174.746 1.954 17767 3270 1 5 . 1 1 89 89 LEU CA C 89 54.500 54.500 54.224 0.276 17767 3271 1 5 . 1 1 89 89 LEU CB C 89 44.150 44.150 42.013 2.137 17767 3272 1 5 . 1 1 89 89 LEU H H 89 8.780 8.780 7.981 0.799 17767 3273 1 5 . 1 1 90 90 VAL N N 90 122.500 122.500 124.713 -2.213 17767 3274 1 5 . 1 1 90 90 VAL HA H 90 5.420 5.420 4.455 0.965 17767 3275 1 5 . 1 1 90 90 VAL C C 90 175.200 175.200 173.645 1.555 17767 3276 1 5 . 1 1 90 90 VAL CA C 90 60.350 60.350 60.243 0.107 17767 3277 1 5 . 1 1 90 90 VAL CB C 90 35.930 35.930 34.539 1.391 17767 3278 1 5 . 1 1 90 90 VAL H H 90 9.050 9.050 8.661 0.389 17767 3279 1 5 . 1 1 91 91 CYS N N 91 123.100 123.100 127.315 -4.215 17767 3280 1 5 . 1 1 91 91 CYS HA H 91 5.370 5.370 4.764 0.606 17767 3281 1 5 . 1 1 91 91 CYS C C 91 172.700 172.700 173.194 -0.494 17767 3282 1 5 . 1 1 91 91 CYS CA C 91 55.230 55.230 57.938 -2.708 17767 3283 1 5 . 1 1 91 91 CYS CB C 91 42.970 42.970 27.365 15.605 17767 3284 1 5 . 1 1 91 91 CYS H H 91 8.820 8.820 8.340 0.480 17767 3285 1 5 . 1 1 92 92 LYS N N 92 128.900 128.900 128.324 0.576 17767 3286 1 5 . 1 1 92 92 LYS HA H 92 5.000 5.000 4.528 0.472 17767 3287 1 5 . 1 1 92 92 LYS C C 92 174.270 174.270 175.684 -1.414 17767 3288 1 5 . 1 1 92 92 LYS CA C 92 55.360 55.360 55.547 -0.187 17767 3289 1 5 . 1 1 92 92 LYS CB C 92 35.960 35.960 34.021 1.939 17767 3290 1 5 . 1 1 92 92 LYS H H 92 9.450 9.450 8.325 1.125 17767 3291 1 5 . 1 1 93 93 SER N N 93 119.300 119.300 121.490 -2.190 17767 3292 1 5 . 1 1 93 93 SER HA H 93 4.710 4.710 4.745 -0.035 17767 3293 1 5 . 1 1 93 93 SER C C 93 174.200 174.200 175.010 -0.810 17767 3294 1 5 . 1 1 93 93 SER CA C 93 55.430 55.430 57.261 -1.831 17767 3295 1 5 . 1 1 93 93 SER CB C 93 66.460 66.460 64.477 1.983 17767 3296 1 5 . 1 1 93 93 SER H H 93 8.620 8.620 8.670 -0.050 17767 3297 1 5 . 1 1 94 94 GLU N N 94 119.900 119.900 119.821 0.079 17767 3298 1 5 . 1 1 94 94 GLU HA H 94 4.090 4.090 4.272 -0.182 17767 3299 1 5 . 1 1 94 94 GLU C C 94 177.600 177.600 176.305 1.295 17767 3300 1 5 . 1 1 94 94 GLU CA C 94 59.440 59.440 57.264 2.175 17767 3301 1 5 . 1 1 94 94 GLU CB C 94 29.360 29.360 30.059 -0.699 17767 3302 1 5 . 1 1 94 94 GLU H H 94 8.670 8.670 8.715 -0.045 17767 3303 1 5 . 1 1 95 95 LYS N N 95 113.500 113.500 117.494 -3.994 17767 3304 1 5 . 1 1 95 95 LYS HA H 95 4.430 4.430 4.089 0.341 17767 3305 1 5 . 1 1 95 95 LYS C C 95 175.980 175.980 174.750 1.230 17767 3306 1 5 . 1 1 95 95 LYS CA C 95 56.180 56.180 56.137 0.043 17767 3307 1 5 . 1 1 95 95 LYS CB C 95 35.220 35.220 33.390 1.830 17767 3308 1 5 . 1 1 95 95 LYS H H 95 8.300 8.300 7.768 0.532 17767 3309 1 5 . 1 1 96 96 PHE N N 96 113.270 113.270 116.014 -2.744 17767 3310 1 5 . 1 1 96 96 PHE HA H 96 5.860 5.860 4.464 1.396 17767 3311 1 5 . 1 1 96 96 PHE C C 96 173.900 173.900 173.887 0.013 17767 3312 1 5 . 1 1 96 96 PHE CA C 96 55.890 55.890 56.062 -0.172 17767 3313 1 5 . 1 1 96 96 PHE CB C 96 43.560 43.560 40.972 2.588 17767 3314 1 5 . 1 1 96 96 PHE H H 96 7.000 7.000 7.106 -0.106 17767 3315 1 5 . 1 1 97 97 SER N N 97 112.050 112.050 112.087 -0.037 17767 3316 1 5 . 1 1 97 97 SER HA H 97 5.220 5.220 4.790 0.430 17767 3317 1 5 . 1 1 97 97 SER C C 97 172.560 172.560 172.628 -0.068 17767 3318 1 5 . 1 1 97 97 SER CA C 97 57.870 57.870 58.072 -0.202 17767 3319 1 5 . 1 1 97 97 SER CB C 97 65.990 65.990 65.836 0.154 17767 3320 1 5 . 1 1 97 97 SER H H 97 8.790 8.790 8.548 0.242 17767 3321 1 5 . 1 1 98 98 HIS N N 98 126.300 126.300 122.924 3.376 17767 3322 1 5 . 1 1 98 98 HIS HA H 98 5.190 5.190 5.175 0.015 17767 3323 1 5 . 1 1 98 98 HIS C C 98 174.500 174.500 173.350 1.150 17767 3324 1 5 . 1 1 98 98 HIS CA C 98 56.260 56.260 54.549 1.711 17767 3325 1 5 . 1 1 98 98 HIS CB C 98 36.270 36.270 32.928 3.342 17767 3326 1 5 . 1 1 98 98 HIS H H 98 9.190 9.190 8.472 0.718 17767 3327 1 5 . 1 1 99 99 GLU N N 99 126.670 126.670 128.255 -1.585 17767 3328 1 5 . 1 1 99 99 GLU HA H 99 5.390 5.390 4.935 0.455 17767 3329 1 5 . 1 1 99 99 GLU C C 99 175.400 175.400 174.811 0.589 17767 3330 1 5 . 1 1 99 99 GLU CA C 99 55.000 55.000 54.706 0.294 17767 3331 1 5 . 1 1 99 99 GLU CB C 99 34.000 34.000 33.504 0.496 17767 3332 1 5 . 1 1 99 99 GLU H H 99 8.350 8.350 9.096 -0.746 17767 3333 1 5 . 1 1 101 101 GLU N N 101 125.500 125.500 125.171 0.329 17767 3334 1 5 . 1 1 101 101 GLU HA H 101 5.160 5.160 4.701 0.459 17767 3335 1 5 . 1 1 101 101 GLU CA C 101 54.090 54.090 54.768 -0.678 17767 3336 1 5 . 1 1 101 101 GLU CB C 101 34.800 34.800 32.729 2.071 17767 3337 1 5 . 1 1 101 101 GLU H H 101 8.900 8.900 8.616 0.284 17767 3338 1 5 . 1 1 102 102 VAL N N 102 124.420 124.420 127.585 -3.165 17767 3339 1 5 . 1 1 102 102 VAL HA H 102 4.630 4.630 4.342 0.288 17767 3340 1 5 . 1 1 102 102 VAL C C 102 175.200 175.200 175.029 0.171 17767 3341 1 5 . 1 1 102 102 VAL CA C 102 61.380 61.380 61.240 0.140 17767 3342 1 5 . 1 1 102 102 VAL CB C 102 34.100 34.100 32.185 1.915 17767 3343 1 5 . 1 1 102 102 VAL H H 102 8.790 8.790 8.487 0.303 17767 3344 1 5 . 1 1 103 103 LYS N N 103 129.480 129.480 128.843 0.637 17767 3345 1 5 . 1 1 103 103 LYS HA H 103 4.570 4.570 4.544 0.026 17767 3346 1 5 . 1 1 103 103 LYS C C 103 176.500 176.500 176.954 -0.454 17767 3347 1 5 . 1 1 103 103 LYS CA C 103 55.340 55.340 54.970 0.370 17767 3348 1 5 . 1 1 103 103 LYS CB C 103 33.760 33.760 33.349 0.411 17767 3349 1 5 . 1 1 103 103 LYS H H 103 8.950 8.950 8.983 -0.033 17767 3350 1 5 . 1 1 104 104 GLY N N 104 116.700 116.700 117.655 -0.955 17767 3351 1 5 . 1 1 104 104 GLY C C 104 174.500 174.500 175.135 -0.635 17767 3352 1 5 . 1 1 104 104 GLY CA C 104 47.680 47.680 46.838 0.842 17767 3353 1 5 . 1 1 104 104 GLY H H 104 9.140 9.140 8.949 0.191 17767 3354 1 5 . 1 1 105 105 ASN N N 105 125.540 125.540 124.551 0.989 17767 3355 1 5 . 1 1 105 105 ASN HA H 105 5.000 5.000 5.097 -0.097 17767 3356 1 5 . 1 1 105 105 ASN CA C 105 53.130 53.130 52.506 0.624 17767 3357 1 5 . 1 1 105 105 ASN CB C 105 39.060 39.060 39.942 -0.882 17767 3358 1 5 . 1 1 105 105 ASN H H 105 9.030 9.030 8.440 0.590 17767 3359 1 5 . 1 1 106 106 GLU N N 106 120.480 120.480 120.007 0.473 17767 3360 1 5 . 1 1 106 106 GLU HA H 106 5.550 5.550 5.071 0.479 17767 3361 1 5 . 1 1 106 106 GLU CA C 106 55.550 55.550 55.508 0.042 17767 3362 1 5 . 1 1 106 106 GLU CB C 106 33.160 33.160 34.231 -1.071 17767 3363 1 5 . 1 1 106 106 GLU H H 106 8.100 8.100 7.955 0.145 17767 3364 1 5 . 1 1 107 107 MET N N 107 124.080 124.080 124.020 0.060 17767 3365 1 5 . 1 1 107 107 MET HA H 107 5.120 5.120 5.251 -0.131 17767 3366 1 5 . 1 1 107 107 MET CA C 107 53.700 53.700 53.789 -0.089 17767 3367 1 5 . 1 1 107 107 MET CB C 107 36.800 36.800 35.416 1.383 17767 3368 1 5 . 1 1 107 107 MET H H 107 8.930 8.930 9.227 -0.297 17767 3369 1 5 . 1 1 108 108 VAL N N 108 126.820 126.820 127.640 -0.820 17767 3370 1 5 . 1 1 108 108 VAL HA H 108 5.250 5.250 4.470 0.780 17767 3371 1 5 . 1 1 108 108 VAL CA C 108 61.340 61.340 61.398 -0.058 17767 3372 1 5 . 1 1 108 108 VAL CB C 108 34.900 34.900 32.136 2.764 17767 3373 1 5 . 1 1 108 108 VAL H H 108 9.017 9.017 9.177 -0.160 17767 3374 1 5 . 1 1 109 109 GLU N N 109 128.300 128.300 128.411 -0.111 17767 3375 1 5 . 1 1 109 109 GLU HA H 109 5.040 5.040 5.276 -0.236 17767 3376 1 5 . 1 1 109 109 GLU C C 109 174.410 174.410 175.559 -1.149 17767 3377 1 5 . 1 1 109 109 GLU CA C 109 54.440 54.440 54.224 0.215 17767 3378 1 5 . 1 1 109 109 GLU CB C 109 34.760 34.760 33.123 1.637 17767 3379 1 5 . 1 1 109 109 GLU H H 109 9.100 9.100 8.489 0.611 17767 3380 1 5 . 1 1 110 110 THR N N 110 120.760 120.760 120.669 0.091 17767 3381 1 5 . 1 1 110 110 THR HA H 110 4.850 4.850 5.011 -0.161 17767 3382 1 5 . 1 1 110 110 THR C C 110 174.900 174.900 173.521 1.379 17767 3383 1 5 . 1 1 110 110 THR CA C 110 61.980 61.980 61.874 0.106 17767 3384 1 5 . 1 1 110 110 THR CB C 110 69.520 69.520 70.383 -0.863 17767 3385 1 5 . 1 1 110 110 THR H H 110 8.876 8.876 8.978 -0.102 17767 3386 1 5 . 1 1 111 111 ILE N N 111 131.030 131.030 127.353 3.677 17767 3387 1 5 . 1 1 111 111 ILE HA H 111 5.240 5.240 4.627 0.613 17767 3388 1 5 . 1 1 111 111 ILE C C 111 174.600 174.600 174.681 -0.081 17767 3389 1 5 . 1 1 111 111 ILE CA C 111 60.310 60.310 58.977 1.333 17767 3390 1 5 . 1 1 111 111 ILE CB C 111 41.220 41.220 40.834 0.386 17767 3391 1 5 . 1 1 111 111 ILE H H 111 9.490 9.490 8.991 0.499 17767 3392 1 5 . 1 1 112 112 THR N N 112 122.800 122.800 118.133 4.667 17767 3393 1 5 . 1 1 112 112 THR HA H 112 5.960 5.960 5.084 0.876 17767 3394 1 5 . 1 1 112 112 THR C C 112 174.370 174.370 173.205 1.165 17767 3395 1 5 . 1 1 112 112 THR CA C 112 61.180 61.180 61.571 -0.391 17767 3396 1 5 . 1 1 112 112 THR CB C 112 71.250 71.250 70.083 1.167 17767 3397 1 5 . 1 1 112 112 THR H H 112 9.490 9.490 8.175 1.315 17767 3398 1 5 . 1 1 113 113 PHE N N 113 124.980 124.980 124.298 0.682 17767 3399 1 5 . 1 1 113 113 PHE HA H 113 4.820 4.820 4.670 0.150 17767 3400 1 5 . 1 1 113 113 PHE C C 113 175.700 175.700 175.783 -0.083 17767 3401 1 5 . 1 1 113 113 PHE CA C 113 58.800 58.800 57.894 0.906 17767 3402 1 5 . 1 1 113 113 PHE CB C 113 43.480 43.480 42.926 0.554 17767 3403 1 5 . 1 1 113 113 PHE H H 113 9.000 9.000 8.461 0.539 17767 3404 1 5 . 1 1 114 114 GLY N N 114 116.550 116.550 111.231 5.319 17767 3405 1 5 . 1 1 114 114 GLY C C 114 175.300 175.300 174.691 0.609 17767 3406 1 5 . 1 1 114 114 GLY CA C 114 46.840 46.840 45.914 0.926 17767 3407 1 5 . 1 1 114 114 GLY H H 114 8.410 8.410 9.130 -0.720 17767 3408 1 5 . 1 1 115 115 GLY N N 115 105.640 105.640 106.358 -0.718 17767 3409 1 5 . 1 1 115 115 GLY C C 115 174.200 174.200 173.946 0.254 17767 3410 1 5 . 1 1 115 115 GLY CA C 115 44.890 44.890 44.902 -0.012 17767 3411 1 5 . 1 1 115 115 GLY H H 115 8.560 8.560 8.148 0.412 17767 3412 1 5 . 1 1 116 116 VAL N N 116 123.600 123.600 121.502 2.098 17767 3413 1 5 . 1 1 116 116 VAL HA H 116 4.310 4.310 4.399 -0.089 17767 3414 1 5 . 1 1 116 116 VAL C C 116 174.640 174.640 174.788 -0.148 17767 3415 1 5 . 1 1 116 116 VAL CA C 116 62.250 62.250 60.778 1.472 17767 3416 1 5 . 1 1 116 116 VAL CB C 116 34.170 34.170 33.673 0.497 17767 3417 1 5 . 1 1 116 116 VAL H H 116 8.164 8.164 7.881 0.283 17767 3418 1 5 . 1 1 117 117 THR N N 117 123.270 123.270 123.616 -0.346 17767 3419 1 5 . 1 1 117 117 THR HA H 117 5.250 5.250 4.548 0.702 17767 3420 1 5 . 1 1 117 117 THR C C 117 173.800 173.800 173.537 0.263 17767 3421 1 5 . 1 1 117 117 THR CA C 117 61.900 61.900 61.626 0.274 17767 3422 1 5 . 1 1 117 117 THR CB C 117 70.450 70.450 68.358 2.092 17767 3423 1 5 . 1 1 117 117 THR H H 117 8.770 8.770 8.441 0.329 17767 3424 1 5 . 1 1 118 118 LEU N N 118 132.800 132.800 128.766 4.034 17767 3425 1 5 . 1 1 118 118 LEU HA H 118 4.880 4.880 4.318 0.562 17767 3426 1 5 . 1 1 118 118 LEU C C 118 175.200 175.200 174.721 0.479 17767 3427 1 5 . 1 1 118 118 LEU CA C 118 53.570 53.570 54.312 -0.742 17767 3428 1 5 . 1 1 118 118 LEU CB C 118 44.730 44.730 42.721 2.009 17767 3429 1 5 . 1 1 118 118 LEU H H 118 9.700 9.700 7.799 1.901 17767 3430 1 5 . 1 1 119 119 ILE N N 119 124.980 124.980 127.524 -2.544 17767 3431 1 5 . 1 1 119 119 ILE HA H 119 5.240 5.240 4.655 0.585 17767 3432 1 5 . 1 1 119 119 ILE C C 119 175.900 175.900 174.689 1.211 17767 3433 1 5 . 1 1 119 119 ILE CA C 119 59.340 59.340 60.142 -0.802 17767 3434 1 5 . 1 1 119 119 ILE CB C 119 39.550 39.550 38.681 0.869 17767 3435 1 5 . 1 1 119 119 ILE H H 119 7.800 7.800 8.307 -0.507 17767 3436 1 5 . 1 1 120 120 ARG N N 120 126.110 126.110 126.484 -0.374 17767 3437 1 5 . 1 1 120 120 ARG HA H 120 5.040 5.040 4.978 0.062 17767 3438 1 5 . 1 1 120 120 ARG C C 120 175.300 175.300 174.359 0.941 17767 3439 1 5 . 1 1 120 120 ARG CA C 120 54.990 54.990 53.452 1.538 17767 3440 1 5 . 1 1 120 120 ARG CB C 120 34.760 34.760 33.475 1.285 17767 3441 1 5 . 1 1 120 120 ARG H H 120 9.400 9.400 8.545 0.855 17767 3442 1 5 . 1 1 121 121 ARG N N 121 126.600 126.600 120.014 6.586 17767 3443 1 5 . 1 1 121 121 ARG HA H 121 5.350 5.350 4.679 0.671 17767 3444 1 5 . 1 1 121 121 ARG C C 121 175.020 175.020 174.851 0.169 17767 3445 1 5 . 1 1 121 121 ARG CA C 121 55.250 55.250 55.475 -0.225 17767 3446 1 5 . 1 1 121 121 ARG CB C 121 31.830 31.830 32.645 -0.815 17767 3447 1 5 . 1 1 121 121 ARG H H 121 9.110 9.110 8.357 0.753 17767 3448 1 5 . 1 1 122 122 SER N N 122 118.200 118.200 118.568 -0.368 17767 3449 1 5 . 1 1 122 122 SER HA H 122 5.730 5.730 5.719 0.011 17767 3450 1 5 . 1 1 122 122 SER C C 122 173.010 173.010 173.120 -0.110 17767 3451 1 5 . 1 1 122 122 SER CA C 122 58.100 58.100 56.315 1.785 17767 3452 1 5 . 1 1 122 122 SER CB C 122 66.850 66.850 65.296 1.554 17767 3453 1 5 . 1 1 122 122 SER H H 122 9.290 9.290 9.161 0.129 17767 3454 1 5 . 1 1 123 123 LYS N N 123 120.480 120.480 122.779 -2.299 17767 3455 1 5 . 1 1 123 123 LYS HA H 123 5.780 5.780 5.301 0.479 17767 3456 1 5 . 1 1 123 123 LYS C C 123 175.600 175.600 175.304 0.296 17767 3457 1 5 . 1 1 123 123 LYS CA C 123 54.130 54.130 54.927 -0.797 17767 3458 1 5 . 1 1 123 123 LYS CB C 123 36.330 36.330 36.362 -0.032 17767 3459 1 5 . 1 1 123 123 LYS H H 123 8.650 8.650 9.287 -0.637 17767 3460 1 5 . 1 1 124 124 ARG N N 124 124.980 124.980 123.672 1.308 17767 3461 1 5 . 1 1 124 124 ARG HA H 124 3.940 3.940 4.777 -0.837 17767 3462 1 5 . 1 1 124 124 ARG C C 124 176.500 176.500 175.763 0.737 17767 3463 1 5 . 1 1 124 124 ARG CA C 124 56.900 56.900 55.625 1.275 17767 3464 1 5 . 1 1 124 124 ARG CB C 124 30.380 30.380 31.704 -1.324 17767 3465 1 5 . 1 1 124 124 ARG H H 124 8.200 8.200 8.983 -0.783 17767 3466 1 6 . 1 1 2 2 PHE HA H 2 4.460 4.460 4.718 -0.258 17767 3467 1 6 . 1 1 2 2 PHE C C 2 175.900 175.900 175.900 0.000 17767 3468 1 6 . 1 1 2 2 PHE CA C 2 61.170 61.170 57.931 3.239 17767 3469 1 6 . 1 1 2 2 PHE CB C 2 40.690 40.690 40.010 0.680 17767 3470 1 6 . 1 1 3 3 SER N N 3 111.380 111.380 115.316 -3.936 17767 3471 1 6 . 1 1 3 3 SER HA H 3 4.420 4.420 4.367 0.053 17767 3472 1 6 . 1 1 3 3 SER C C 3 174.700 174.700 174.882 -0.182 17767 3473 1 6 . 1 1 3 3 SER CA C 3 60.000 60.000 59.372 0.628 17767 3474 1 6 . 1 1 3 3 SER CB C 3 64.140 64.140 62.260 1.880 17767 3475 1 6 . 1 1 3 3 SER H H 3 7.968 7.968 8.056 -0.088 17767 3476 1 6 . 1 1 4 4 GLY N N 4 111.480 111.480 112.184 -0.704 17767 3477 1 6 . 1 1 4 4 GLY C C 4 171.800 171.800 171.329 0.471 17767 3478 1 6 . 1 1 4 4 GLY CA C 4 44.150 44.150 45.456 -1.306 17767 3479 1 6 . 1 1 4 4 GLY H H 4 9.080 9.080 8.502 0.578 17767 3480 1 6 . 1 1 5 5 THR N N 5 117.770 117.770 113.535 4.235 17767 3481 1 6 . 1 1 5 5 THR HA H 5 4.980 4.980 4.984 -0.004 17767 3482 1 6 . 1 1 5 5 THR C C 5 173.190 173.190 172.951 0.239 17767 3483 1 6 . 1 1 5 5 THR CA C 5 62.930 62.930 60.342 2.588 17767 3484 1 6 . 1 1 5 5 THR CB C 5 69.310 69.310 70.660 -1.350 17767 3485 1 6 . 1 1 5 5 THR H H 5 8.270 8.270 7.587 0.683 17767 3486 1 6 . 1 1 6 6 TRP N N 6 127.500 127.500 125.895 1.605 17767 3487 1 6 . 1 1 6 6 TRP HA H 6 5.130 5.130 5.186 -0.056 17767 3488 1 6 . 1 1 6 6 TRP CA C 6 55.300 55.300 55.659 -0.359 17767 3489 1 6 . 1 1 6 6 TRP CB C 6 32.290 32.290 31.807 0.483 17767 3490 1 6 . 1 1 6 6 TRP H H 6 9.560 9.560 8.938 0.622 17767 3491 1 6 . 1 1 7 7 GLN HA H 7 4.970 4.970 4.743 0.227 17767 3492 1 6 . 1 1 7 7 GLN C C 7 175.900 175.900 175.125 0.775 17767 3493 1 6 . 1 1 7 7 GLN CA C 7 54.720 54.720 54.802 -0.082 17767 3494 1 6 . 1 1 7 7 GLN CB C 7 32.400 32.400 31.093 1.306 17767 3495 1 6 . 1 1 8 8 VAL N N 8 131.400 131.400 129.004 2.396 17767 3496 1 6 . 1 1 8 8 VAL HA H 8 4.450 4.450 4.431 0.019 17767 3497 1 6 . 1 1 8 8 VAL CA C 8 63.500 63.500 62.925 0.575 17767 3498 1 6 . 1 1 8 8 VAL CB C 8 32.300 32.300 31.779 0.520 17767 3499 1 6 . 1 1 8 8 VAL H H 8 8.270 8.270 8.679 -0.409 17767 3500 1 6 . 1 1 9 9 TYR N N 9 123.300 123.300 122.888 0.412 17767 3501 1 6 . 1 1 9 9 TYR HA H 9 5.140 5.140 4.948 0.192 17767 3502 1 6 . 1 1 9 9 TYR C C 9 174.600 174.600 173.825 0.775 17767 3503 1 6 . 1 1 9 9 TYR CA C 9 56.600 56.600 56.423 0.177 17767 3504 1 6 . 1 1 9 9 TYR CB C 9 40.880 40.880 38.378 2.502 17767 3505 1 6 . 1 1 9 9 TYR H H 9 9.570 9.570 9.310 0.260 17767 3506 1 6 . 1 1 10 10 ALA N N 10 125.800 125.800 122.818 2.982 17767 3507 1 6 . 1 1 10 10 ALA HA H 10 4.680 4.680 4.529 0.151 17767 3508 1 6 . 1 1 10 10 ALA C C 10 175.200 175.200 174.785 0.415 17767 3509 1 6 . 1 1 10 10 ALA CA C 10 51.780 51.780 51.462 0.317 17767 3510 1 6 . 1 1 10 10 ALA CB C 10 22.070 22.070 20.936 1.134 17767 3511 1 6 . 1 1 10 10 ALA H H 10 7.330 7.330 7.740 -0.410 17767 3512 1 6 . 1 1 11 11 GLN N N 11 118.300 118.300 119.669 -1.369 17767 3513 1 6 . 1 1 11 11 GLN HA H 11 5.370 5.370 4.815 0.555 17767 3514 1 6 . 1 1 11 11 GLN C C 11 174.700 174.700 175.108 -0.408 17767 3515 1 6 . 1 1 11 11 GLN CA C 11 54.460 54.460 55.236 -0.776 17767 3516 1 6 . 1 1 11 11 GLN CB C 11 32.870 32.870 30.390 2.480 17767 3517 1 6 . 1 1 11 11 GLN H H 11 8.700 8.700 8.465 0.235 17767 3518 1 6 . 1 1 12 12 GLU N N 12 123.800 123.800 125.434 -1.634 17767 3519 1 6 . 1 1 12 12 GLU HA H 12 4.600 4.600 4.601 -0.001 17767 3520 1 6 . 1 1 12 12 GLU C C 12 175.700 175.700 176.324 -0.624 17767 3521 1 6 . 1 1 12 12 GLU CA C 12 55.300 55.300 55.401 -0.101 17767 3522 1 6 . 1 1 12 12 GLU CB C 12 31.760 31.760 31.410 0.350 17767 3523 1 6 . 1 1 12 12 GLU H H 12 9.130 9.130 8.789 0.341 17767 3524 1 6 . 1 1 13 13 ASN N N 13 117.550 117.550 118.572 -1.022 17767 3525 1 6 . 1 1 13 13 ASN HA H 13 4.790 4.790 4.395 0.395 17767 3526 1 6 . 1 1 13 13 ASN C C 13 175.600 175.600 175.147 0.453 17767 3527 1 6 . 1 1 13 13 ASN CA C 13 54.100 54.100 54.603 -0.503 17767 3528 1 6 . 1 1 13 13 ASN CB C 13 37.100 37.100 36.862 0.238 17767 3529 1 6 . 1 1 13 13 ASN H H 13 9.130 9.130 9.103 0.027 17767 3530 1 6 . 1 1 14 14 TYR N N 14 118.280 118.280 120.272 -1.992 17767 3531 1 6 . 1 1 14 14 TYR HA H 14 4.360 4.360 4.155 0.205 17767 3532 1 6 . 1 1 14 14 TYR C C 14 176.500 176.500 176.772 -0.272 17767 3533 1 6 . 1 1 14 14 TYR CA C 14 60.590 60.590 62.580 -1.990 17767 3534 1 6 . 1 1 14 14 TYR CB C 14 39.450 39.450 38.670 0.780 17767 3535 1 6 . 1 1 14 14 TYR H H 14 7.900 7.900 7.974 -0.074 17767 3536 1 6 . 1 1 15 15 GLU N N 15 118.600 118.600 116.673 1.927 17767 3537 1 6 . 1 1 15 15 GLU HA H 15 3.550 3.550 3.992 -0.442 17767 3538 1 6 . 1 1 15 15 GLU C C 15 178.500 178.500 178.423 0.077 17767 3539 1 6 . 1 1 15 15 GLU CA C 15 61.170 61.170 59.528 1.642 17767 3540 1 6 . 1 1 15 15 GLU CB C 15 28.700 28.700 28.585 0.115 17767 3541 1 6 . 1 1 15 15 GLU H H 15 8.960 8.960 9.186 -0.226 17767 3542 1 6 . 1 1 16 16 GLU N N 16 118.800 118.800 118.489 0.311 17767 3543 1 6 . 1 1 16 16 GLU HA H 16 3.880 3.880 4.210 -0.330 17767 3544 1 6 . 1 1 16 16 GLU C C 16 178.600 178.600 178.318 0.282 17767 3545 1 6 . 1 1 16 16 GLU CA C 16 60.300 60.300 58.198 2.102 17767 3546 1 6 . 1 1 16 16 GLU CB C 16 28.600 28.600 29.426 -0.826 17767 3547 1 6 . 1 1 16 16 GLU H H 16 9.090 9.090 8.536 0.554 17767 3548 1 6 . 1 1 17 17 PHE N N 17 124.200 124.200 121.331 2.869 17767 3549 1 6 . 1 1 17 17 PHE HA H 17 3.960 3.960 4.266 -0.306 17767 3550 1 6 . 1 1 17 17 PHE C C 17 176.400 176.400 177.672 -1.272 17767 3551 1 6 . 1 1 17 17 PHE CA C 17 62.350 62.350 59.457 2.893 17767 3552 1 6 . 1 1 17 17 PHE CB C 17 40.380 40.380 39.015 1.365 17767 3553 1 6 . 1 1 17 17 PHE H H 17 8.410 8.410 7.991 0.419 17767 3554 1 6 . 1 1 18 18 LEU N N 18 116.400 116.400 119.116 -2.716 17767 3555 1 6 . 1 1 18 18 LEU HA H 18 3.780 3.780 3.460 0.320 17767 3556 1 6 . 1 1 18 18 LEU C C 18 178.800 178.800 178.211 0.589 17767 3557 1 6 . 1 1 18 18 LEU CA C 18 58.240 58.240 57.850 0.390 17767 3558 1 6 . 1 1 18 18 LEU CB C 18 41.220 41.220 40.990 0.230 17767 3559 1 6 . 1 1 18 18 LEU H H 18 8.200 8.200 8.048 0.152 17767 3560 1 6 . 1 1 19 19 LYS N N 19 116.590 116.590 116.067 0.523 17767 3561 1 6 . 1 1 19 19 LYS HA H 19 4.040 4.040 4.097 -0.057 17767 3562 1 6 . 1 1 19 19 LYS C C 19 179.800 179.800 178.715 1.085 17767 3563 1 6 . 1 1 19 19 LYS CA C 19 58.820 58.820 58.529 0.291 17767 3564 1 6 . 1 1 19 19 LYS CB C 19 32.150 32.150 32.005 0.145 17767 3565 1 6 . 1 1 19 19 LYS H H 19 7.790 7.790 7.616 0.174 17767 3566 1 6 . 1 1 20 20 ALA N N 20 126.110 126.110 120.997 5.113 17767 3567 1 6 . 1 1 20 20 ALA HA H 20 4.160 4.160 4.338 -0.178 17767 3568 1 6 . 1 1 20 20 ALA C C 20 178.600 178.600 177.709 0.891 17767 3569 1 6 . 1 1 20 20 ALA CA C 20 55.300 55.300 53.394 1.906 17767 3570 1 6 . 1 1 20 20 ALA CB C 20 17.700 17.700 18.888 -1.188 17767 3571 1 6 . 1 1 20 20 ALA H H 20 7.990 7.990 7.617 0.373 17767 3572 1 6 . 1 1 21 21 LEU N N 21 117.110 117.110 116.979 0.131 17767 3573 1 6 . 1 1 21 21 LEU HA H 21 3.688 3.688 4.355 -0.667 17767 3574 1 6 . 1 1 21 21 LEU C C 21 176.100 176.100 175.864 0.236 17767 3575 1 6 . 1 1 21 21 LEU CA C 21 55.400 55.400 53.514 1.886 17767 3576 1 6 . 1 1 21 21 LEU CB C 21 42.700 42.700 41.396 1.304 17767 3577 1 6 . 1 1 21 21 LEU H H 21 7.380 7.380 7.086 0.294 17767 3578 1 6 . 1 1 22 22 ALA N N 22 118.800 118.800 118.981 -0.181 17767 3579 1 6 . 1 1 22 22 ALA HA H 22 3.985 3.985 3.926 0.059 17767 3580 1 6 . 1 1 22 22 ALA C C 22 177.000 177.000 176.933 0.067 17767 3581 1 6 . 1 1 22 22 ALA CA C 22 52.370 52.370 52.663 -0.293 17767 3582 1 6 . 1 1 22 22 ALA CB C 22 15.960 15.960 16.719 -0.759 17767 3583 1 6 . 1 1 22 22 ALA H H 22 7.920 7.920 7.380 0.540 17767 3584 1 6 . 1 1 23 23 LEU N N 23 118.470 118.470 118.895 -0.425 17767 3585 1 6 . 1 1 23 23 LEU HA H 23 4.425 4.425 4.307 0.118 17767 3586 1 6 . 1 1 23 23 LEU C C 23 174.500 174.500 174.928 -0.428 17767 3587 1 6 . 1 1 23 23 LEU CA C 23 54.130 54.130 52.983 1.147 17767 3588 1 6 . 1 1 23 23 LEU CB C 23 41.220 41.220 41.578 -0.358 17767 3589 1 6 . 1 1 23 23 LEU H H 23 6.950 6.950 7.345 -0.395 17767 3590 1 6 . 1 1 24 24 PRO HA H 24 4.475 4.475 4.515 -0.040 17767 3591 1 6 . 1 1 24 24 PRO C C 24 177.500 177.500 177.307 0.193 17767 3592 1 6 . 1 1 24 24 PRO CA C 24 62.940 62.940 62.503 0.437 17767 3593 1 6 . 1 1 24 24 PRO CB C 24 32.600 32.600 32.503 0.097 17767 3594 1 6 . 1 1 25 25 GLU N N 25 122.500 122.500 123.701 -1.201 17767 3595 1 6 . 1 1 25 25 GLU HA H 25 3.860 3.860 3.857 0.003 17767 3596 1 6 . 1 1 25 25 GLU C C 25 177.900 177.900 178.105 -0.205 17767 3597 1 6 . 1 1 25 25 GLU CA C 25 60.100 60.100 59.938 0.162 17767 3598 1 6 . 1 1 25 25 GLU CB C 25 29.690 29.690 29.489 0.201 17767 3599 1 6 . 1 1 25 25 GLU H H 25 8.840 8.840 8.921 -0.081 17767 3600 1 6 . 1 1 26 26 ASP N N 26 117.110 117.110 118.722 -1.612 17767 3601 1 6 . 1 1 26 26 ASP HA H 26 4.360 4.360 4.441 -0.081 17767 3602 1 6 . 1 1 26 26 ASP C C 26 177.900 177.900 178.843 -0.943 17767 3603 1 6 . 1 1 26 26 ASP CA C 26 57.080 57.080 56.648 0.432 17767 3604 1 6 . 1 1 26 26 ASP CB C 26 40.040 40.040 40.393 -0.353 17767 3605 1 6 . 1 1 26 26 ASP H H 26 8.920 8.920 8.331 0.589 17767 3606 1 6 . 1 1 27 27 LEU N N 27 121.990 121.990 121.325 0.665 17767 3607 1 6 . 1 1 27 27 LEU HA H 27 4.270 4.270 4.140 0.130 17767 3608 1 6 . 1 1 27 27 LEU C C 27 178.070 178.070 178.640 -0.570 17767 3609 1 6 . 1 1 27 27 LEU CA C 27 57.650 57.650 56.982 0.668 17767 3610 1 6 . 1 1 27 27 LEU CB C 27 42.230 42.230 42.213 0.017 17767 3611 1 6 . 1 1 27 27 LEU H H 27 7.220 7.220 7.500 -0.280 17767 3612 1 6 . 1 1 28 28 ILE N N 28 120.350 120.350 119.030 1.320 17767 3613 1 6 . 1 1 28 28 ILE HA H 28 3.317 3.317 3.601 -0.284 17767 3614 1 6 . 1 1 28 28 ILE C C 28 177.400 177.400 177.862 -0.462 17767 3615 1 6 . 1 1 28 28 ILE CA C 28 67.040 67.040 64.927 2.113 17767 3616 1 6 . 1 1 28 28 ILE CB C 28 37.110 37.110 37.434 -0.325 17767 3617 1 6 . 1 1 28 28 ILE H H 28 7.900 7.900 8.004 -0.104 17767 3618 1 6 . 1 1 29 29 LYS N N 29 117.110 117.110 119.778 -2.668 17767 3619 1 6 . 1 1 29 29 LYS HA H 29 3.947 3.947 4.171 -0.224 17767 3620 1 6 . 1 1 29 29 LYS C C 29 178.900 178.900 178.706 0.194 17767 3621 1 6 . 1 1 29 29 LYS CA C 29 60.000 60.000 58.946 1.054 17767 3622 1 6 . 1 1 29 29 LYS CB C 29 32.390 32.390 32.437 -0.047 17767 3623 1 6 . 1 1 29 29 LYS H H 29 7.850 7.850 7.826 0.024 17767 3624 1 6 . 1 1 30 30 MET N N 30 117.110 117.110 118.799 -1.689 17767 3625 1 6 . 1 1 30 30 MET HA H 30 4.320 4.320 4.273 0.047 17767 3626 1 6 . 1 1 30 30 MET C C 30 177.500 177.500 178.422 -0.922 17767 3627 1 6 . 1 1 30 30 MET CA C 30 57.650 57.650 58.353 -0.703 17767 3628 1 6 . 1 1 30 30 MET CB C 30 32.970 32.970 32.792 0.178 17767 3629 1 6 . 1 1 30 30 MET H H 30 7.450 7.450 7.554 -0.104 17767 3630 1 6 . 1 1 31 31 ALA N N 31 120.480 120.480 122.101 -1.621 17767 3631 1 6 . 1 1 31 31 ALA HA H 31 4.270 4.270 4.116 0.154 17767 3632 1 6 . 1 1 31 31 ALA CA C 31 53.545 53.545 55.272 -1.727 17767 3633 1 6 . 1 1 31 31 ALA CB C 31 19.290 19.290 18.419 0.871 17767 3634 1 6 . 1 1 31 31 ALA H H 31 8.420 8.420 8.836 -0.416 17767 3635 1 6 . 1 1 32 32 ARG N N 32 122.170 122.170 114.795 7.375 17767 3636 1 6 . 1 1 32 32 ARG HA H 32 4.109 4.109 3.895 0.214 17767 3637 1 6 . 1 1 32 32 ARG C C 32 176.500 176.500 177.036 -0.536 17767 3638 1 6 . 1 1 32 32 ARG CA C 32 61.170 61.170 58.485 2.685 17767 3639 1 6 . 1 1 32 32 ARG CB C 32 30.600 30.600 30.101 0.499 17767 3640 1 6 . 1 1 32 32 ARG H H 32 7.770 7.770 7.778 -0.008 17767 3641 1 6 . 1 1 33 33 ASP N N 33 116.550 116.550 117.726 -1.176 17767 3642 1 6 . 1 1 33 33 ASP HA H 33 4.920 4.920 4.637 0.283 17767 3643 1 6 . 1 1 33 33 ASP C C 33 175.900 175.900 176.322 -0.422 17767 3644 1 6 . 1 1 33 33 ASP CA C 33 54.130 54.130 54.681 -0.551 17767 3645 1 6 . 1 1 33 33 ASP CB C 33 41.760 41.760 42.297 -0.537 17767 3646 1 6 . 1 1 33 33 ASP H H 33 8.330 8.330 7.902 0.428 17767 3647 1 6 . 1 1 34 34 ILE N N 34 120.060 120.060 122.442 -2.382 17767 3648 1 6 . 1 1 34 34 ILE HA H 34 4.120 4.120 3.965 0.155 17767 3649 1 6 . 1 1 34 34 ILE C C 34 176.100 176.100 175.078 1.022 17767 3650 1 6 . 1 1 34 34 ILE CA C 34 61.170 61.170 61.939 -0.769 17767 3651 1 6 . 1 1 34 34 ILE CB C 34 37.860 37.860 36.301 1.559 17767 3652 1 6 . 1 1 34 34 ILE H H 34 7.240 7.240 7.340 -0.100 17767 3653 1 6 . 1 1 35 35 LYS N N 35 131.170 131.170 126.337 4.833 17767 3654 1 6 . 1 1 35 35 LYS HA H 35 4.700 4.700 4.803 -0.103 17767 3655 1 6 . 1 1 35 35 LYS C C 35 173.700 173.700 174.833 -1.133 17767 3656 1 6 . 1 1 35 35 LYS CA C 35 52.970 52.970 54.489 -1.519 17767 3657 1 6 . 1 1 35 35 LYS CB C 35 32.750 32.750 32.235 0.515 17767 3658 1 6 . 1 1 35 35 LYS H H 35 8.980 8.980 7.869 1.111 17767 3659 1 6 . 1 1 36 36 PRO HA H 36 4.510 4.510 4.515 -0.005 17767 3660 1 6 . 1 1 36 36 PRO CA C 36 63.523 63.523 61.879 1.644 17767 3661 1 6 . 1 1 36 36 PRO CB C 36 32.840 32.840 33.097 -0.257 17767 3662 1 6 . 1 1 37 37 ILE HA H 37 4.920 4.920 4.295 0.625 17767 3663 1 6 . 1 1 37 37 ILE C C 37 175.500 175.500 175.115 0.385 17767 3664 1 6 . 1 1 37 37 ILE CA C 37 60.588 60.588 59.456 1.131 17767 3665 1 6 . 1 1 37 37 ILE CB C 37 40.630 40.630 39.761 0.869 17767 3666 1 6 . 1 1 38 38 VAL N N 38 129.000 129.000 129.263 -0.263 17767 3667 1 6 . 1 1 38 38 VAL HA H 38 5.120 5.120 4.244 0.876 17767 3668 1 6 . 1 1 38 38 VAL C C 38 175.100 175.100 174.898 0.202 17767 3669 1 6 . 1 1 38 38 VAL CA C 38 61.176 61.176 61.905 -0.729 17767 3670 1 6 . 1 1 38 38 VAL CB C 38 34.850 34.850 32.250 2.600 17767 3671 1 6 . 1 1 38 38 VAL H H 38 9.540 9.540 9.193 0.347 17767 3672 1 6 . 1 1 39 39 GLU N N 39 128.350 128.350 129.523 -1.173 17767 3673 1 6 . 1 1 39 39 GLU HA H 39 5.440 5.440 4.528 0.912 17767 3674 1 6 . 1 1 39 39 GLU C C 39 176.000 176.000 174.602 1.398 17767 3675 1 6 . 1 1 39 39 GLU CA C 39 54.720 54.720 56.573 -1.853 17767 3676 1 6 . 1 1 39 39 GLU CB C 39 32.410 32.410 30.887 1.523 17767 3677 1 6 . 1 1 39 39 GLU H H 39 9.590 9.590 8.294 1.296 17767 3678 1 6 . 1 1 40 40 ILE N N 40 126.110 126.110 126.923 -0.813 17767 3679 1 6 . 1 1 40 40 ILE HA H 40 5.050 5.050 5.035 0.015 17767 3680 1 6 . 1 1 40 40 ILE C C 40 175.800 175.800 173.114 2.686 17767 3681 1 6 . 1 1 40 40 ILE CA C 40 61.330 61.330 58.723 2.607 17767 3682 1 6 . 1 1 40 40 ILE CB C 40 40.160 40.160 41.804 -1.644 17767 3683 1 6 . 1 1 40 40 ILE H H 40 9.630 9.630 8.650 0.980 17767 3684 1 6 . 1 1 41 41 GLN N N 41 128.360 128.360 127.519 0.841 17767 3685 1 6 . 1 1 41 41 GLN HA H 41 4.720 4.720 4.822 -0.102 17767 3686 1 6 . 1 1 41 41 GLN C C 41 173.900 173.900 173.426 0.474 17767 3687 1 6 . 1 1 41 41 GLN CA C 41 54.940 54.940 54.127 0.813 17767 3688 1 6 . 1 1 41 41 GLN CB C 41 31.820 31.820 31.944 -0.124 17767 3689 1 6 . 1 1 41 41 GLN H H 41 9.270 9.270 8.735 0.535 17767 3690 1 6 . 1 1 42 42 GLN N N 42 126.110 126.110 122.363 3.747 17767 3691 1 6 . 1 1 42 42 GLN HA H 42 4.380 4.380 4.750 -0.370 17767 3692 1 6 . 1 1 42 42 GLN C C 42 174.700 174.700 175.335 -0.635 17767 3693 1 6 . 1 1 42 42 GLN CA C 42 54.150 54.150 54.158 -0.008 17767 3694 1 6 . 1 1 42 42 GLN CB C 42 30.000 30.000 30.881 -0.881 17767 3695 1 6 . 1 1 42 42 GLN H H 42 8.250 8.250 8.259 -0.009 17767 3696 1 6 . 1 1 43 43 LYS N N 43 130.610 130.610 119.633 10.977 17767 3697 1 6 . 1 1 43 43 LYS HA H 43 4.460 4.460 4.379 0.081 17767 3698 1 6 . 1 1 43 43 LYS C C 43 176.030 176.030 175.783 0.247 17767 3699 1 6 . 1 1 43 43 LYS CA C 43 55.306 55.306 55.953 -0.647 17767 3700 1 6 . 1 1 43 43 LYS CB C 43 33.270 33.270 33.903 -0.633 17767 3701 1 6 . 1 1 43 43 LYS H H 43 8.820 8.820 8.324 0.496 17767 3702 1 6 . 1 1 44 44 GLY N N 44 117.110 117.110 110.216 6.894 17767 3703 1 6 . 1 1 44 44 GLY C C 44 174.300 174.300 173.696 0.604 17767 3704 1 6 . 1 1 44 44 GLY CA C 44 47.480 47.480 45.941 1.539 17767 3705 1 6 . 1 1 44 44 GLY H H 44 8.940 8.940 8.824 0.116 17767 3706 1 6 . 1 1 45 45 ASP N N 45 127.799 127.799 121.430 6.369 17767 3707 1 6 . 1 1 45 45 ASP HA H 45 4.870 4.870 4.857 0.013 17767 3708 1 6 . 1 1 45 45 ASP C C 45 174.700 174.700 175.243 -0.543 17767 3709 1 6 . 1 1 45 45 ASP CA C 45 54.719 54.719 54.339 0.380 17767 3710 1 6 . 1 1 45 45 ASP CB C 45 41.270 41.270 42.760 -1.490 17767 3711 1 6 . 1 1 45 45 ASP H H 45 8.870 8.870 8.345 0.525 17767 3712 1 6 . 1 1 46 46 ASP N N 46 120.480 120.480 120.924 -0.444 17767 3713 1 6 . 1 1 46 46 ASP HA H 46 5.230 5.230 5.481 -0.251 17767 3714 1 6 . 1 1 46 46 ASP C C 46 175.070 175.070 175.009 0.061 17767 3715 1 6 . 1 1 46 46 ASP CA C 46 54.132 54.132 55.378 -1.246 17767 3716 1 6 . 1 1 46 46 ASP CB C 46 41.570 41.570 42.251 -0.680 17767 3717 1 6 . 1 1 46 46 ASP H H 46 8.060 8.060 7.949 0.111 17767 3718 1 6 . 1 1 47 47 PHE N N 47 122.730 122.730 122.447 0.283 17767 3719 1 6 . 1 1 47 47 PHE HA H 47 5.090 5.090 4.756 0.334 17767 3720 1 6 . 1 1 47 47 PHE C C 47 176.400 176.400 174.917 1.483 17767 3721 1 6 . 1 1 47 47 PHE CA C 47 56.420 56.420 55.382 1.038 17767 3722 1 6 . 1 1 47 47 PHE CB C 47 44.150 44.150 42.274 1.876 17767 3723 1 6 . 1 1 47 47 PHE H H 47 9.296 9.296 9.104 0.192 17767 3724 1 6 . 1 1 48 48 VAL N N 48 121.690 121.690 121.973 -0.283 17767 3725 1 6 . 1 1 48 48 VAL HA H 48 4.500 4.500 4.371 0.129 17767 3726 1 6 . 1 1 48 48 VAL C C 48 175.700 175.700 174.527 1.173 17767 3727 1 6 . 1 1 48 48 VAL CA C 48 62.930 62.930 61.606 1.323 17767 3728 1 6 . 1 1 48 48 VAL CB C 48 34.670 34.670 33.320 1.350 17767 3729 1 6 . 1 1 48 48 VAL H H 48 8.520 8.520 9.133 -0.613 17767 3730 1 6 . 1 1 49 49 VAL N N 49 127.200 127.200 129.213 -2.013 17767 3731 1 6 . 1 1 49 49 VAL HA H 49 5.250 5.250 4.613 0.637 17767 3732 1 6 . 1 1 49 49 VAL C C 49 175.700 175.700 175.443 0.257 17767 3733 1 6 . 1 1 49 49 VAL CA C 49 61.180 61.180 61.803 -0.623 17767 3734 1 6 . 1 1 49 49 VAL CB C 49 34.660 34.660 32.790 1.870 17767 3735 1 6 . 1 1 49 49 VAL H H 49 9.330 9.330 9.235 0.095 17767 3736 1 6 . 1 1 50 50 THR N N 50 128.500 128.500 126.288 2.212 17767 3737 1 6 . 1 1 50 50 THR HA H 50 5.430 5.430 5.039 0.391 17767 3738 1 6 . 1 1 50 50 THR C C 50 173.810 173.810 173.621 0.189 17767 3739 1 6 . 1 1 50 50 THR CA C 50 61.530 61.530 61.553 -0.023 17767 3740 1 6 . 1 1 50 50 THR CB C 50 70.760 70.760 69.955 0.805 17767 3741 1 6 . 1 1 50 50 THR H H 50 9.730 9.730 9.447 0.283 17767 3742 1 6 . 1 1 51 51 SER N N 51 122.730 122.730 123.140 -0.410 17767 3743 1 6 . 1 1 51 51 SER HA H 51 5.430 5.430 4.955 0.475 17767 3744 1 6 . 1 1 51 51 SER C C 51 173.800 173.800 173.605 0.195 17767 3745 1 6 . 1 1 51 51 SER CA C 51 57.060 57.060 56.812 0.248 17767 3746 1 6 . 1 1 51 51 SER CB C 51 64.550 64.550 64.924 -0.374 17767 3747 1 6 . 1 1 51 51 SER H H 51 9.190 9.190 8.923 0.267 17767 3748 1 6 . 1 1 52 52 LYS N N 52 125.550 125.550 126.167 -0.617 17767 3749 1 6 . 1 1 52 52 LYS HA H 52 5.310 5.310 4.476 0.834 17767 3750 1 6 . 1 1 52 52 LYS C C 52 175.900 175.900 176.197 -0.297 17767 3751 1 6 . 1 1 52 52 LYS CA C 52 56.120 56.120 55.982 0.138 17767 3752 1 6 . 1 1 52 52 LYS CB C 52 36.130 36.130 33.828 2.302 17767 3753 1 6 . 1 1 52 52 LYS H H 52 9.490 9.490 8.776 0.714 17767 3754 1 6 . 1 1 53 53 THR N N 53 115.980 115.980 114.995 0.985 17767 3755 1 6 . 1 1 53 53 THR HA H 53 5.024 5.024 4.842 0.182 17767 3756 1 6 . 1 1 53 53 THR C C 53 173.400 173.400 173.061 0.339 17767 3757 1 6 . 1 1 53 53 THR CA C 53 59.140 59.140 58.017 1.123 17767 3758 1 6 . 1 1 53 53 THR CB C 53 69.300 69.300 70.340 -1.040 17767 3759 1 6 . 1 1 53 53 THR H H 53 8.760 8.760 8.186 0.574 17767 3760 1 6 . 1 1 54 54 PRO HA H 54 4.350 4.350 4.361 -0.011 17767 3761 1 6 . 1 1 54 54 PRO C C 54 177.200 177.200 176.628 0.572 17767 3762 1 6 . 1 1 54 54 PRO CA C 54 66.458 66.458 64.291 2.167 17767 3763 1 6 . 1 1 54 54 PRO CB C 54 32.400 32.400 31.915 0.485 17767 3764 1 6 . 1 1 55 55 ARG N N 55 111.480 111.480 116.729 -5.249 17767 3765 1 6 . 1 1 55 55 ARG HA H 55 4.510 4.510 4.507 0.003 17767 3766 1 6 . 1 1 55 55 ARG C C 55 175.800 175.800 177.058 -1.258 17767 3767 1 6 . 1 1 55 55 ARG CA C 55 55.893 55.893 56.832 -0.939 17767 3768 1 6 . 1 1 55 55 ARG CB C 55 32.520 32.520 31.867 0.653 17767 3769 1 6 . 1 1 55 55 ARG H H 55 8.010 8.010 7.784 0.226 17767 3770 1 6 . 1 1 56 56 GLN N N 56 118.230 118.230 116.082 2.148 17767 3771 1 6 . 1 1 56 56 GLN HA H 56 4.830 4.830 4.721 0.109 17767 3772 1 6 . 1 1 56 56 GLN C C 56 174.200 174.200 174.038 0.162 17767 3773 1 6 . 1 1 56 56 GLN CA C 56 55.610 55.610 54.647 0.963 17767 3774 1 6 . 1 1 56 56 GLN CB C 56 32.880 32.880 33.979 -1.099 17767 3775 1 6 . 1 1 56 56 GLN H H 56 7.530 7.530 8.149 -0.619 17767 3776 1 6 . 1 1 57 57 THR N N 57 120.480 120.480 116.353 4.127 17767 3777 1 6 . 1 1 57 57 THR HA H 57 5.330 5.330 5.193 0.137 17767 3778 1 6 . 1 1 57 57 THR C C 57 174.000 174.000 174.400 -0.400 17767 3779 1 6 . 1 1 57 57 THR CA C 57 61.760 61.760 61.174 0.586 17767 3780 1 6 . 1 1 57 57 THR CB C 57 71.500 71.500 69.402 2.098 17767 3781 1 6 . 1 1 57 57 THR H H 57 8.610 8.610 8.458 0.152 17767 3782 1 6 . 1 1 58 58 VAL N N 58 125.200 125.200 122.086 3.114 17767 3783 1 6 . 1 1 58 58 VAL HA H 58 4.540 4.540 4.713 -0.173 17767 3784 1 6 . 1 1 58 58 VAL C C 58 174.400 174.400 174.670 -0.270 17767 3785 1 6 . 1 1 58 58 VAL CA C 58 61.170 61.170 59.971 1.200 17767 3786 1 6 . 1 1 58 58 VAL CB C 58 35.560 35.560 33.328 2.232 17767 3787 1 6 . 1 1 58 58 VAL H H 58 8.830 8.830 8.741 0.089 17767 3788 1 6 . 1 1 59 59 THR N N 59 125.500 125.500 116.613 8.887 17767 3789 1 6 . 1 1 59 59 THR HA H 59 5.260 5.260 5.295 -0.035 17767 3790 1 6 . 1 1 59 59 THR C C 59 173.400 173.400 173.587 -0.187 17767 3791 1 6 . 1 1 59 59 THR CA C 59 61.980 61.980 60.117 1.863 17767 3792 1 6 . 1 1 59 59 THR CB C 59 71.150 71.150 70.025 1.125 17767 3793 1 6 . 1 1 59 59 THR H H 59 8.870 8.870 8.231 0.639 17767 3794 1 6 . 1 1 60 60 ASN N N 60 124.700 124.700 126.857 -2.157 17767 3795 1 6 . 1 1 60 60 ASN HA H 60 5.270 5.270 5.086 0.184 17767 3796 1 6 . 1 1 60 60 ASN C C 60 173.300 173.300 173.568 -0.268 17767 3797 1 6 . 1 1 60 60 ASN CA C 60 53.000 53.000 52.769 0.231 17767 3798 1 6 . 1 1 60 60 ASN CB C 60 44.700 44.700 42.075 2.625 17767 3799 1 6 . 1 1 60 60 ASN H H 60 9.180 9.180 9.065 0.115 17767 3800 1 6 . 1 1 61 61 SER N N 61 115.980 115.980 119.548 -3.568 17767 3801 1 6 . 1 1 61 61 SER HA H 61 5.430 5.430 5.583 -0.153 17767 3802 1 6 . 1 1 61 61 SER C C 61 173.300 173.300 173.439 -0.139 17767 3803 1 6 . 1 1 61 61 SER CA C 61 57.060 57.060 56.736 0.324 17767 3804 1 6 . 1 1 61 61 SER CB C 61 65.590 65.590 65.398 0.192 17767 3805 1 6 . 1 1 61 61 SER H H 61 8.840 8.840 8.644 0.196 17767 3806 1 6 . 1 1 62 62 PHE N N 62 117.670 117.670 118.236 -0.566 17767 3807 1 6 . 1 1 62 62 PHE HA H 62 5.020 5.020 4.949 0.071 17767 3808 1 6 . 1 1 62 62 PHE C C 62 173.100 173.100 173.025 0.075 17767 3809 1 6 . 1 1 62 62 PHE CA C 62 56.590 56.590 56.204 0.386 17767 3810 1 6 . 1 1 62 62 PHE CB C 62 40.030 40.030 40.514 -0.484 17767 3811 1 6 . 1 1 62 62 PHE H H 62 8.235 8.235 8.622 -0.387 17767 3812 1 6 . 1 1 63 63 THR N N 63 119.920 119.920 115.999 3.921 17767 3813 1 6 . 1 1 63 63 THR HA H 63 5.500 5.500 5.173 0.327 17767 3814 1 6 . 1 1 63 63 THR C C 63 175.600 175.600 174.560 1.040 17767 3815 1 6 . 1 1 63 63 THR CA C 63 61.170 61.170 61.121 0.049 17767 3816 1 6 . 1 1 63 63 THR CB C 63 72.320 72.320 70.512 1.808 17767 3817 1 6 . 1 1 63 63 THR H H 63 9.650 9.650 8.892 0.758 17767 3818 1 6 . 1 1 64 64 LEU N N 64 126.300 126.300 128.041 -1.741 17767 3819 1 6 . 1 1 64 64 LEU HA H 64 4.430 4.430 3.904 0.526 17767 3820 1 6 . 1 1 64 64 LEU C C 64 178.000 178.000 178.417 -0.417 17767 3821 1 6 . 1 1 64 64 LEU CA C 64 56.100 56.100 56.147 -0.047 17767 3822 1 6 . 1 1 64 64 LEU CB C 64 41.330 41.330 40.830 0.500 17767 3823 1 6 . 1 1 64 64 LEU H H 64 9.280 9.280 8.973 0.307 17767 3824 1 6 . 1 1 65 65 GLY N N 65 107.520 107.520 112.660 -5.140 17767 3825 1 6 . 1 1 65 65 GLY C C 65 173.800 173.800 173.409 0.391 17767 3826 1 6 . 1 1 65 65 GLY CA C 65 45.780 45.780 45.083 0.697 17767 3827 1 6 . 1 1 65 65 GLY H H 65 9.110 9.110 9.189 -0.079 17767 3828 1 6 . 1 1 66 66 LYS N N 66 121.600 121.600 120.243 1.357 17767 3829 1 6 . 1 1 66 66 LYS HA H 66 4.780 4.780 4.577 0.203 17767 3830 1 6 . 1 1 66 66 LYS C C 66 175.600 175.600 175.263 0.337 17767 3831 1 6 . 1 1 66 66 LYS CA C 66 54.100 54.100 54.664 -0.564 17767 3832 1 6 . 1 1 66 66 LYS CB C 66 34.620 34.620 35.732 -1.112 17767 3833 1 6 . 1 1 66 66 LYS H H 66 7.910 7.910 7.879 0.031 17767 3834 1 6 . 1 1 67 67 GLU N N 67 129.400 129.400 123.468 5.932 17767 3835 1 6 . 1 1 67 67 GLU HA H 67 4.070 4.070 4.181 -0.111 17767 3836 1 6 . 1 1 67 67 GLU C C 67 175.030 175.030 175.332 -0.302 17767 3837 1 6 . 1 1 67 67 GLU CA C 67 59.220 59.220 56.442 2.778 17767 3838 1 6 . 1 1 67 67 GLU CB C 67 30.400 30.400 30.119 0.281 17767 3839 1 6 . 1 1 67 67 GLU H H 67 8.940 8.940 8.744 0.196 17767 3840 1 6 . 1 1 68 68 ALA N N 68 130.940 130.940 129.345 1.595 17767 3841 1 6 . 1 1 68 68 ALA HA H 68 4.900 4.900 4.673 0.227 17767 3842 1 6 . 1 1 68 68 ALA C C 68 176.000 176.000 175.346 0.654 17767 3843 1 6 . 1 1 68 68 ALA CA C 68 51.000 51.000 50.951 0.049 17767 3844 1 6 . 1 1 68 68 ALA CB C 68 22.440 22.440 22.498 -0.058 17767 3845 1 6 . 1 1 68 68 ALA H H 68 8.660 8.660 7.913 0.747 17767 3846 1 6 . 1 1 69 69 ASP N N 69 120.500 120.500 121.569 -1.069 17767 3847 1 6 . 1 1 69 69 ASP HA H 69 5.000 5.000 4.848 0.152 17767 3848 1 6 . 1 1 69 69 ASP C C 69 174.400 174.400 176.001 -1.601 17767 3849 1 6 . 1 1 69 69 ASP CA C 69 54.670 54.670 53.838 0.832 17767 3850 1 6 . 1 1 69 69 ASP CB C 69 41.930 41.930 41.258 0.673 17767 3851 1 6 . 1 1 69 69 ASP H H 69 8.330 8.330 8.592 -0.262 17767 3852 1 6 . 1 1 70 70 ILE N N 70 125.540 125.540 122.376 3.164 17767 3853 1 6 . 1 1 70 70 ILE HA H 70 4.510 4.510 4.711 -0.201 17767 3854 1 6 . 1 1 70 70 ILE C C 70 175.300 175.300 174.150 1.150 17767 3855 1 6 . 1 1 70 70 ILE CA C 70 57.690 57.690 59.497 -1.807 17767 3856 1 6 . 1 1 70 70 ILE CB C 70 40.040 40.040 41.362 -1.322 17767 3857 1 6 . 1 1 70 70 ILE H H 70 8.850 8.850 8.166 0.684 17767 3858 1 6 . 1 1 71 71 THR N N 71 123.860 123.860 118.166 5.694 17767 3859 1 6 . 1 1 71 71 THR HA H 71 5.240 5.240 5.008 0.232 17767 3860 1 6 . 1 1 71 71 THR C C 71 174.600 174.600 174.198 0.402 17767 3861 1 6 . 1 1 71 71 THR CA C 71 61.610 61.610 61.435 0.175 17767 3862 1 6 . 1 1 71 71 THR CB C 71 70.370 70.370 70.876 -0.506 17767 3863 1 6 . 1 1 71 71 THR H H 71 9.460 9.460 8.544 0.916 17767 3864 1 6 . 1 1 72 72 THR N N 72 115.980 115.980 119.308 -3.328 17767 3865 1 6 . 1 1 72 72 THR HA H 72 4.550 4.550 4.622 -0.072 17767 3866 1 6 . 1 1 72 72 THR C C 72 177.300 177.300 176.816 0.484 17767 3867 1 6 . 1 1 72 72 THR CA C 72 60.550 60.550 60.374 0.175 17767 3868 1 6 . 1 1 72 72 THR CB C 72 70.710 70.710 70.328 0.382 17767 3869 1 6 . 1 1 72 72 THR H H 72 8.700 8.700 8.378 0.322 17767 3870 1 6 . 1 1 73 73 MET N N 73 119.830 119.830 122.122 -2.292 17767 3871 1 6 . 1 1 73 73 MET HA H 73 4.110 4.110 4.505 -0.395 17767 3872 1 6 . 1 1 73 73 MET C C 73 176.200 176.200 176.083 0.117 17767 3873 1 6 . 1 1 73 73 MET CA C 73 58.900 58.900 57.322 1.578 17767 3874 1 6 . 1 1 73 73 MET CB C 73 34.760 34.760 31.291 3.469 17767 3875 1 6 . 1 1 73 73 MET H H 73 10.360 10.360 8.563 1.797 17767 3876 1 6 . 1 1 74 74 ASP N N 74 112.220 112.220 120.001 -7.781 17767 3877 1 6 . 1 1 74 74 ASP HA H 74 4.800 4.800 4.584 0.216 17767 3878 1 6 . 1 1 74 74 ASP C C 74 175.600 175.600 176.891 -1.291 17767 3879 1 6 . 1 1 74 74 ASP CA C 74 52.630 52.630 54.050 -1.420 17767 3880 1 6 . 1 1 74 74 ASP CB C 74 38.870 38.870 41.084 -2.214 17767 3881 1 6 . 1 1 74 74 ASP H H 74 8.680 8.680 7.830 0.850 17767 3882 1 6 . 1 1 75 75 GLY N N 75 108.040 108.040 107.639 0.401 17767 3883 1 6 . 1 1 75 75 GLY C C 75 175.000 175.000 173.991 1.009 17767 3884 1 6 . 1 1 75 75 GLY CA C 75 46.400 46.400 45.114 1.286 17767 3885 1 6 . 1 1 75 75 GLY H H 75 7.600 7.600 7.644 -0.044 17767 3886 1 6 . 1 1 76 76 LYS N N 76 120.500 120.500 120.679 -0.179 17767 3887 1 6 . 1 1 76 76 LYS HA H 76 4.440 4.440 4.544 -0.104 17767 3888 1 6 . 1 1 76 76 LYS C C 76 175.400 175.400 175.731 -0.331 17767 3889 1 6 . 1 1 76 76 LYS CA C 76 55.240 55.240 54.171 1.069 17767 3890 1 6 . 1 1 76 76 LYS CB C 76 33.500 33.500 33.931 -0.431 17767 3891 1 6 . 1 1 76 76 LYS H H 76 8.260 8.260 7.569 0.691 17767 3892 1 6 . 1 1 77 77 LYS N N 77 119.300 119.300 125.021 -5.721 17767 3893 1 6 . 1 1 77 77 LYS HA H 77 5.370 5.370 4.498 0.872 17767 3894 1 6 . 1 1 77 77 LYS C C 77 176.100 176.100 176.225 -0.125 17767 3895 1 6 . 1 1 77 77 LYS CA C 77 54.360 54.360 55.513 -1.153 17767 3896 1 6 . 1 1 77 77 LYS CB C 77 32.840 32.840 31.837 1.002 17767 3897 1 6 . 1 1 77 77 LYS H H 77 8.130 8.130 8.511 -0.381 17767 3898 1 6 . 1 1 78 78 LEU N N 78 123.860 123.860 126.119 -2.259 17767 3899 1 6 . 1 1 78 78 LEU HA H 78 4.910 4.910 4.728 0.182 17767 3900 1 6 . 1 1 78 78 LEU C C 78 175.600 175.600 175.582 0.018 17767 3901 1 6 . 1 1 78 78 LEU CA C 78 53.170 53.170 53.879 -0.709 17767 3902 1 6 . 1 1 78 78 LEU CB C 78 45.780 45.780 45.424 0.356 17767 3903 1 6 . 1 1 78 78 LEU H H 78 9.028 9.028 8.254 0.774 17767 3904 1 6 . 1 1 79 79 LYS N N 79 119.280 119.280 120.507 -1.227 17767 3905 1 6 . 1 1 79 79 LYS HA H 79 5.615 5.615 5.016 0.599 17767 3906 1 6 . 1 1 79 79 LYS C C 79 176.600 176.600 175.478 1.122 17767 3907 1 6 . 1 1 79 79 LYS CA C 79 55.000 55.000 55.114 -0.114 17767 3908 1 6 . 1 1 79 79 LYS CB C 79 36.850 36.850 33.647 3.203 17767 3909 1 6 . 1 1 79 79 LYS H H 79 8.240 8.240 8.314 -0.074 17767 3910 1 6 . 1 1 80 80 CYS N N 80 115.980 115.980 125.289 -9.309 17767 3911 1 6 . 1 1 80 80 CYS HA H 80 4.700 4.700 4.693 0.007 17767 3912 1 6 . 1 1 80 80 CYS C C 80 173.500 173.500 174.633 -1.133 17767 3913 1 6 . 1 1 80 80 CYS CA C 80 56.500 56.500 58.149 -1.649 17767 3914 1 6 . 1 1 80 80 CYS CB C 80 45.700 45.700 28.157 17.543 17767 3915 1 6 . 1 1 80 80 CYS H H 80 8.306 8.306 8.536 -0.230 17767 3916 1 6 . 1 1 81 81 THR N N 81 122.000 122.000 126.976 -4.976 17767 3917 1 6 . 1 1 81 81 THR HA H 81 4.303 4.303 4.534 -0.231 17767 3918 1 6 . 1 1 81 81 THR C C 81 173.100 173.100 173.982 -0.882 17767 3919 1 6 . 1 1 81 81 THR CA C 81 62.460 62.460 62.286 0.173 17767 3920 1 6 . 1 1 81 81 THR CB C 81 68.200 68.200 67.829 0.371 17767 3921 1 6 . 1 1 81 81 THR H H 81 8.840 8.840 8.731 0.109 17767 3922 1 6 . 1 1 82 82 VAL N N 82 132.160 132.160 126.107 6.053 17767 3923 1 6 . 1 1 82 82 VAL HA H 82 4.449 4.449 4.252 0.197 17767 3924 1 6 . 1 1 82 82 VAL C C 82 175.100 175.100 175.599 -0.499 17767 3925 1 6 . 1 1 82 82 VAL CA C 82 61.760 61.760 61.680 0.080 17767 3926 1 6 . 1 1 82 82 VAL CB C 82 31.200 31.200 31.548 -0.348 17767 3927 1 6 . 1 1 82 82 VAL H H 82 9.520 9.520 7.793 1.727 17767 3928 1 6 . 1 1 83 83 HIS N N 83 123.860 123.860 121.536 2.324 17767 3929 1 6 . 1 1 83 83 HIS HA H 83 5.009 5.009 4.795 0.214 17767 3930 1 6 . 1 1 83 83 HIS C C 83 173.500 173.500 172.700 0.800 17767 3931 1 6 . 1 1 83 83 HIS CA C 83 55.300 55.300 53.989 1.311 17767 3932 1 6 . 1 1 83 83 HIS CB C 83 33.400 33.400 32.524 0.876 17767 3933 1 6 . 1 1 83 83 HIS H H 83 8.740 8.740 8.799 -0.059 17767 3934 1 6 . 1 1 84 84 LEU N N 84 121.600 121.600 124.855 -3.255 17767 3935 1 6 . 1 1 84 84 LEU HA H 84 5.420 5.420 4.849 0.571 17767 3936 1 6 . 1 1 84 84 LEU C C 84 176.500 176.500 175.791 0.709 17767 3937 1 6 . 1 1 84 84 LEU CA C 84 53.790 53.790 54.141 -0.351 17767 3938 1 6 . 1 1 84 84 LEU CB C 84 44.740 44.740 43.100 1.640 17767 3939 1 6 . 1 1 84 84 LEU H H 84 8.850 8.850 8.505 0.345 17767 3940 1 6 . 1 1 85 85 ALA N N 85 128.800 128.800 129.910 -1.110 17767 3941 1 6 . 1 1 85 85 ALA HA H 85 4.750 4.750 4.743 0.007 17767 3942 1 6 . 1 1 85 85 ALA C C 85 177.000 177.000 176.963 0.037 17767 3943 1 6 . 1 1 85 85 ALA CA C 85 51.480 51.480 51.371 0.109 17767 3944 1 6 . 1 1 85 85 ALA CB C 85 20.910 20.910 20.569 0.341 17767 3945 1 6 . 1 1 85 85 ALA H H 85 9.230 9.230 9.088 0.142 17767 3946 1 6 . 1 1 86 86 ASN HA H 86 4.430 4.430 4.428 0.002 17767 3947 1 6 . 1 1 86 86 ASN C C 86 175.400 175.400 175.226 0.174 17767 3948 1 6 . 1 1 86 86 ASN CA C 86 54.140 54.140 54.113 0.027 17767 3949 1 6 . 1 1 86 86 ASN CB C 86 37.550 37.550 37.630 -0.080 17767 3950 1 6 . 1 1 87 87 GLY N N 87 103.430 103.430 102.382 1.048 17767 3951 1 6 . 1 1 87 87 GLY C C 87 173.800 173.800 173.771 0.029 17767 3952 1 6 . 1 1 87 87 GLY CA C 87 45.670 45.670 45.077 0.593 17767 3953 1 6 . 1 1 87 87 GLY H H 87 8.620 8.620 8.310 0.310 17767 3954 1 6 . 1 1 88 88 LYS N N 88 120.490 120.490 121.021 -0.531 17767 3955 1 6 . 1 1 88 88 LYS HA H 88 5.120 5.120 4.763 0.357 17767 3956 1 6 . 1 1 88 88 LYS C C 88 175.500 175.500 174.690 0.810 17767 3957 1 6 . 1 1 88 88 LYS CA C 88 55.140 55.140 54.872 0.268 17767 3958 1 6 . 1 1 88 88 LYS CB C 88 34.610 34.610 34.127 0.483 17767 3959 1 6 . 1 1 88 88 LYS H H 88 7.880 7.880 7.732 0.148 17767 3960 1 6 . 1 1 89 89 LEU N N 89 124.420 124.420 126.212 -1.792 17767 3961 1 6 . 1 1 89 89 LEU HA H 89 4.730 4.730 4.318 0.412 17767 3962 1 6 . 1 1 89 89 LEU C C 89 176.700 176.700 174.706 1.994 17767 3963 1 6 . 1 1 89 89 LEU CA C 89 54.500 54.500 54.174 0.326 17767 3964 1 6 . 1 1 89 89 LEU CB C 89 44.150 44.150 42.360 1.790 17767 3965 1 6 . 1 1 89 89 LEU H H 89 8.780 8.780 8.020 0.760 17767 3966 1 6 . 1 1 90 90 VAL N N 90 122.500 122.500 124.456 -1.956 17767 3967 1 6 . 1 1 90 90 VAL HA H 90 5.420 5.420 4.245 1.175 17767 3968 1 6 . 1 1 90 90 VAL C C 90 175.200 175.200 173.645 1.555 17767 3969 1 6 . 1 1 90 90 VAL CA C 90 60.350 60.350 59.951 0.399 17767 3970 1 6 . 1 1 90 90 VAL CB C 90 35.930 35.930 34.289 1.641 17767 3971 1 6 . 1 1 90 90 VAL H H 90 9.050 9.050 8.649 0.401 17767 3972 1 6 . 1 1 91 91 CYS N N 91 123.100 123.100 127.585 -4.485 17767 3973 1 6 . 1 1 91 91 CYS HA H 91 5.370 5.370 4.798 0.572 17767 3974 1 6 . 1 1 91 91 CYS C C 91 172.700 172.700 173.166 -0.466 17767 3975 1 6 . 1 1 91 91 CYS CA C 91 55.230 55.230 58.200 -2.970 17767 3976 1 6 . 1 1 91 91 CYS CB C 91 42.970 42.970 28.605 14.366 17767 3977 1 6 . 1 1 91 91 CYS H H 91 8.820 8.820 8.346 0.474 17767 3978 1 6 . 1 1 92 92 LYS N N 92 128.900 128.900 128.588 0.312 17767 3979 1 6 . 1 1 92 92 LYS HA H 92 5.000 5.000 4.600 0.400 17767 3980 1 6 . 1 1 92 92 LYS C C 92 174.270 174.270 175.690 -1.420 17767 3981 1 6 . 1 1 92 92 LYS CA C 92 55.360 55.360 55.330 0.030 17767 3982 1 6 . 1 1 92 92 LYS CB C 92 35.960 35.960 34.688 1.272 17767 3983 1 6 . 1 1 92 92 LYS H H 92 9.450 9.450 8.518 0.932 17767 3984 1 6 . 1 1 93 93 SER N N 93 119.300 119.300 120.921 -1.621 17767 3985 1 6 . 1 1 93 93 SER HA H 93 4.710 4.710 4.697 0.013 17767 3986 1 6 . 1 1 93 93 SER C C 93 174.200 174.200 175.455 -1.255 17767 3987 1 6 . 1 1 93 93 SER CA C 93 55.430 55.430 57.565 -2.135 17767 3988 1 6 . 1 1 93 93 SER CB C 93 66.460 66.460 64.364 2.096 17767 3989 1 6 . 1 1 93 93 SER H H 93 8.620 8.620 8.384 0.236 17767 3990 1 6 . 1 1 94 94 GLU N N 94 119.900 119.900 120.502 -0.602 17767 3991 1 6 . 1 1 94 94 GLU HA H 94 4.090 4.090 4.324 -0.234 17767 3992 1 6 . 1 1 94 94 GLU C C 94 177.600 177.600 176.469 1.131 17767 3993 1 6 . 1 1 94 94 GLU CA C 94 59.440 59.440 58.533 0.907 17767 3994 1 6 . 1 1 94 94 GLU CB C 94 29.360 29.360 29.740 -0.380 17767 3995 1 6 . 1 1 94 94 GLU H H 94 8.670 8.670 8.577 0.093 17767 3996 1 6 . 1 1 95 95 LYS N N 95 113.500 113.500 117.886 -4.386 17767 3997 1 6 . 1 1 95 95 LYS HA H 95 4.430 4.430 4.140 0.290 17767 3998 1 6 . 1 1 95 95 LYS C C 95 175.980 175.980 174.545 1.435 17767 3999 1 6 . 1 1 95 95 LYS CA C 95 56.180 56.180 55.773 0.407 17767 4000 1 6 . 1 1 95 95 LYS CB C 95 35.220 35.220 33.054 2.166 17767 4001 1 6 . 1 1 95 95 LYS H H 95 8.300 8.300 7.906 0.394 17767 4002 1 6 . 1 1 96 96 PHE N N 96 113.270 113.270 117.540 -4.270 17767 4003 1 6 . 1 1 96 96 PHE HA H 96 5.860 5.860 4.688 1.172 17767 4004 1 6 . 1 1 96 96 PHE C C 96 173.900 173.900 173.933 -0.033 17767 4005 1 6 . 1 1 96 96 PHE CA C 96 55.890 55.890 55.735 0.155 17767 4006 1 6 . 1 1 96 96 PHE CB C 96 43.560 43.560 41.955 1.605 17767 4007 1 6 . 1 1 96 96 PHE H H 96 7.000 7.000 7.379 -0.379 17767 4008 1 6 . 1 1 97 97 SER N N 97 112.050 112.050 112.107 -0.057 17767 4009 1 6 . 1 1 97 97 SER HA H 97 5.220 5.220 4.774 0.446 17767 4010 1 6 . 1 1 97 97 SER C C 97 172.560 172.560 172.652 -0.092 17767 4011 1 6 . 1 1 97 97 SER CA C 97 57.870 57.870 58.325 -0.455 17767 4012 1 6 . 1 1 97 97 SER CB C 97 65.990 65.990 65.709 0.281 17767 4013 1 6 . 1 1 97 97 SER H H 97 8.790 8.790 8.626 0.164 17767 4014 1 6 . 1 1 98 98 HIS N N 98 126.300 126.300 123.292 3.008 17767 4015 1 6 . 1 1 98 98 HIS HA H 98 5.190 5.190 5.149 0.041 17767 4016 1 6 . 1 1 98 98 HIS C C 98 174.500 174.500 173.564 0.936 17767 4017 1 6 . 1 1 98 98 HIS CA C 98 56.260 56.260 54.556 1.704 17767 4018 1 6 . 1 1 98 98 HIS CB C 98 36.270 36.270 32.905 3.365 17767 4019 1 6 . 1 1 98 98 HIS H H 98 9.190 9.190 9.030 0.160 17767 4020 1 6 . 1 1 99 99 GLU N N 99 126.670 126.670 127.517 -0.847 17767 4021 1 6 . 1 1 99 99 GLU HA H 99 5.390 5.390 4.749 0.641 17767 4022 1 6 . 1 1 99 99 GLU C C 99 175.400 175.400 174.886 0.514 17767 4023 1 6 . 1 1 99 99 GLU CA C 99 55.000 55.000 55.164 -0.164 17767 4024 1 6 . 1 1 99 99 GLU CB C 99 34.000 34.000 32.496 1.504 17767 4025 1 6 . 1 1 99 99 GLU H H 99 8.350 8.350 8.950 -0.600 17767 4026 1 6 . 1 1 101 101 GLU N N 101 125.500 125.500 124.603 0.897 17767 4027 1 6 . 1 1 101 101 GLU HA H 101 5.160 5.160 4.852 0.308 17767 4028 1 6 . 1 1 101 101 GLU CA C 101 54.090 54.090 54.272 -0.182 17767 4029 1 6 . 1 1 101 101 GLU CB C 101 34.800 34.800 33.375 1.425 17767 4030 1 6 . 1 1 101 101 GLU H H 101 8.900 8.900 9.082 -0.182 17767 4031 1 6 . 1 1 102 102 VAL N N 102 124.420 124.420 125.213 -0.793 17767 4032 1 6 . 1 1 102 102 VAL HA H 102 4.630 4.630 4.303 0.327 17767 4033 1 6 . 1 1 102 102 VAL C C 102 175.200 175.200 175.508 -0.308 17767 4034 1 6 . 1 1 102 102 VAL CA C 102 61.380 61.380 60.937 0.443 17767 4035 1 6 . 1 1 102 102 VAL CB C 102 34.100 34.100 32.474 1.625 17767 4036 1 6 . 1 1 102 102 VAL H H 102 8.790 8.790 8.609 0.181 17767 4037 1 6 . 1 1 103 103 LYS N N 103 129.480 129.480 126.101 3.379 17767 4038 1 6 . 1 1 103 103 LYS HA H 103 4.570 4.570 4.673 -0.103 17767 4039 1 6 . 1 1 103 103 LYS C C 103 176.500 176.500 176.743 -0.243 17767 4040 1 6 . 1 1 103 103 LYS CA C 103 55.340 55.340 55.116 0.224 17767 4041 1 6 . 1 1 103 103 LYS CB C 103 33.760 33.760 33.848 -0.088 17767 4042 1 6 . 1 1 103 103 LYS H H 103 8.950 8.950 9.056 -0.106 17767 4043 1 6 . 1 1 104 104 GLY N N 104 116.700 116.700 116.988 -0.288 17767 4044 1 6 . 1 1 104 104 GLY C C 104 174.500 174.500 174.811 -0.311 17767 4045 1 6 . 1 1 104 104 GLY CA C 104 47.680 47.680 47.381 0.299 17767 4046 1 6 . 1 1 104 104 GLY H H 104 9.140 9.140 8.999 0.141 17767 4047 1 6 . 1 1 105 105 ASN N N 105 125.540 125.540 123.202 2.338 17767 4048 1 6 . 1 1 105 105 ASN HA H 105 5.000 5.000 5.027 -0.027 17767 4049 1 6 . 1 1 105 105 ASN CA C 105 53.130 53.130 52.887 0.243 17767 4050 1 6 . 1 1 105 105 ASN CB C 105 39.060 39.060 40.143 -1.083 17767 4051 1 6 . 1 1 105 105 ASN H H 105 9.030 9.030 8.500 0.530 17767 4052 1 6 . 1 1 106 106 GLU N N 106 120.480 120.480 119.493 0.987 17767 4053 1 6 . 1 1 106 106 GLU HA H 106 5.550 5.550 4.916 0.634 17767 4054 1 6 . 1 1 106 106 GLU CA C 106 55.550 55.550 55.572 -0.022 17767 4055 1 6 . 1 1 106 106 GLU CB C 106 33.160 33.160 34.669 -1.509 17767 4056 1 6 . 1 1 106 106 GLU H H 106 8.100 8.100 8.308 -0.208 17767 4057 1 6 . 1 1 107 107 MET N N 107 124.080 124.080 122.824 1.256 17767 4058 1 6 . 1 1 107 107 MET HA H 107 5.120 5.120 5.074 0.046 17767 4059 1 6 . 1 1 107 107 MET CA C 107 53.700 53.700 54.050 -0.350 17767 4060 1 6 . 1 1 107 107 MET CB C 107 36.800 36.800 35.860 0.940 17767 4061 1 6 . 1 1 107 107 MET H H 107 8.930 8.930 9.051 -0.121 17767 4062 1 6 . 1 1 108 108 VAL N N 108 126.820 126.820 121.643 5.177 17767 4063 1 6 . 1 1 108 108 VAL HA H 108 5.250 5.250 4.679 0.571 17767 4064 1 6 . 1 1 108 108 VAL CA C 108 61.340 61.340 60.247 1.093 17767 4065 1 6 . 1 1 108 108 VAL CB C 108 34.900 34.900 32.794 2.106 17767 4066 1 6 . 1 1 108 108 VAL H H 108 9.017 9.017 9.165 -0.148 17767 4067 1 6 . 1 1 109 109 GLU N N 109 128.300 128.300 127.067 1.233 17767 4068 1 6 . 1 1 109 109 GLU HA H 109 5.040 5.040 5.257 -0.217 17767 4069 1 6 . 1 1 109 109 GLU C C 109 174.410 174.410 175.289 -0.879 17767 4070 1 6 . 1 1 109 109 GLU CA C 109 54.440 54.440 54.186 0.254 17767 4071 1 6 . 1 1 109 109 GLU CB C 109 34.760 34.760 33.910 0.850 17767 4072 1 6 . 1 1 109 109 GLU H H 109 9.100 9.100 8.762 0.338 17767 4073 1 6 . 1 1 110 110 THR N N 110 120.760 120.760 121.796 -1.036 17767 4074 1 6 . 1 1 110 110 THR HA H 110 4.850 4.850 4.886 -0.036 17767 4075 1 6 . 1 1 110 110 THR C C 110 174.900 174.900 173.365 1.535 17767 4076 1 6 . 1 1 110 110 THR CA C 110 61.980 61.980 61.884 0.096 17767 4077 1 6 . 1 1 110 110 THR CB C 110 69.520 69.520 70.949 -1.429 17767 4078 1 6 . 1 1 110 110 THR H H 110 8.876 8.876 8.741 0.135 17767 4079 1 6 . 1 1 111 111 ILE N N 111 131.030 131.030 127.076 3.954 17767 4080 1 6 . 1 1 111 111 ILE HA H 111 5.240 5.240 4.505 0.735 17767 4081 1 6 . 1 1 111 111 ILE C C 111 174.600 174.600 174.394 0.206 17767 4082 1 6 . 1 1 111 111 ILE CA C 111 60.310 60.310 59.380 0.930 17767 4083 1 6 . 1 1 111 111 ILE CB C 111 41.220 41.220 40.972 0.248 17767 4084 1 6 . 1 1 111 111 ILE H H 111 9.490 9.490 8.807 0.683 17767 4085 1 6 . 1 1 112 112 THR N N 112 122.800 122.800 120.038 2.762 17767 4086 1 6 . 1 1 112 112 THR HA H 112 5.960 5.960 5.147 0.813 17767 4087 1 6 . 1 1 112 112 THR C C 112 174.370 174.370 173.421 0.949 17767 4088 1 6 . 1 1 112 112 THR CA C 112 61.180 61.180 61.557 -0.377 17767 4089 1 6 . 1 1 112 112 THR CB C 112 71.250 71.250 70.552 0.698 17767 4090 1 6 . 1 1 112 112 THR H H 112 9.490 9.490 8.165 1.325 17767 4091 1 6 . 1 1 113 113 PHE N N 113 124.980 124.980 125.054 -0.074 17767 4092 1 6 . 1 1 113 113 PHE HA H 113 4.820 4.820 4.665 0.155 17767 4093 1 6 . 1 1 113 113 PHE C C 113 175.700 175.700 175.735 -0.035 17767 4094 1 6 . 1 1 113 113 PHE CA C 113 58.800 58.800 57.900 0.900 17767 4095 1 6 . 1 1 113 113 PHE CB C 113 43.480 43.480 42.998 0.482 17767 4096 1 6 . 1 1 113 113 PHE H H 113 9.000 9.000 8.367 0.633 17767 4097 1 6 . 1 1 114 114 GLY N N 114 116.550 116.550 111.098 5.452 17767 4098 1 6 . 1 1 114 114 GLY C C 114 175.300 175.300 174.619 0.681 17767 4099 1 6 . 1 1 114 114 GLY CA C 114 46.840 46.840 45.917 0.923 17767 4100 1 6 . 1 1 114 114 GLY H H 114 8.410 8.410 9.161 -0.751 17767 4101 1 6 . 1 1 115 115 GLY N N 115 105.640 105.640 106.394 -0.754 17767 4102 1 6 . 1 1 115 115 GLY C C 115 174.200 174.200 173.773 0.427 17767 4103 1 6 . 1 1 115 115 GLY CA C 115 44.890 44.890 44.931 -0.041 17767 4104 1 6 . 1 1 115 115 GLY H H 115 8.560 8.560 8.192 0.368 17767 4105 1 6 . 1 1 116 116 VAL N N 116 123.600 123.600 120.996 2.604 17767 4106 1 6 . 1 1 116 116 VAL HA H 116 4.310 4.310 4.357 -0.047 17767 4107 1 6 . 1 1 116 116 VAL C C 116 174.640 174.640 174.778 -0.138 17767 4108 1 6 . 1 1 116 116 VAL CA C 116 62.250 62.250 60.868 1.382 17767 4109 1 6 . 1 1 116 116 VAL CB C 116 34.170 34.170 34.563 -0.394 17767 4110 1 6 . 1 1 116 116 VAL H H 116 8.164 8.164 7.601 0.563 17767 4111 1 6 . 1 1 117 117 THR N N 117 123.270 123.270 123.464 -0.194 17767 4112 1 6 . 1 1 117 117 THR HA H 117 5.250 5.250 4.553 0.697 17767 4113 1 6 . 1 1 117 117 THR C C 117 173.800 173.800 173.539 0.261 17767 4114 1 6 . 1 1 117 117 THR CA C 117 61.900 61.900 62.264 -0.364 17767 4115 1 6 . 1 1 117 117 THR CB C 117 70.450 70.450 68.785 1.665 17767 4116 1 6 . 1 1 117 117 THR H H 117 8.770 8.770 8.495 0.275 17767 4117 1 6 . 1 1 118 118 LEU N N 118 132.800 132.800 130.381 2.419 17767 4118 1 6 . 1 1 118 118 LEU HA H 118 4.880 4.880 5.080 -0.200 17767 4119 1 6 . 1 1 118 118 LEU C C 118 175.200 175.200 174.711 0.489 17767 4120 1 6 . 1 1 118 118 LEU CA C 118 53.570 53.570 53.234 0.336 17767 4121 1 6 . 1 1 118 118 LEU CB C 118 44.730 44.730 43.127 1.603 17767 4122 1 6 . 1 1 118 118 LEU H H 118 9.700 9.700 8.324 1.376 17767 4123 1 6 . 1 1 119 119 ILE N N 119 124.980 124.980 129.463 -4.483 17767 4124 1 6 . 1 1 119 119 ILE HA H 119 5.240 5.240 4.209 1.031 17767 4125 1 6 . 1 1 119 119 ILE C C 119 175.900 175.900 175.080 0.820 17767 4126 1 6 . 1 1 119 119 ILE CA C 119 59.340 59.340 61.127 -1.787 17767 4127 1 6 . 1 1 119 119 ILE CB C 119 39.550 39.550 38.517 1.033 17767 4128 1 6 . 1 1 119 119 ILE H H 119 7.800 7.800 8.063 -0.263 17767 4129 1 6 . 1 1 120 120 ARG N N 120 126.110 126.110 127.862 -1.752 17767 4130 1 6 . 1 1 120 120 ARG HA H 120 5.040 5.040 5.134 -0.094 17767 4131 1 6 . 1 1 120 120 ARG C C 120 175.300 175.300 174.566 0.734 17767 4132 1 6 . 1 1 120 120 ARG CA C 120 54.990 54.990 54.231 0.759 17767 4133 1 6 . 1 1 120 120 ARG CB C 120 34.760 34.760 33.885 0.875 17767 4134 1 6 . 1 1 120 120 ARG H H 120 9.400 9.400 8.844 0.556 17767 4135 1 6 . 1 1 121 121 ARG N N 121 126.600 126.600 123.928 2.672 17767 4136 1 6 . 1 1 121 121 ARG HA H 121 5.350 5.350 4.852 0.498 17767 4137 1 6 . 1 1 121 121 ARG C C 121 175.020 175.020 174.945 0.075 17767 4138 1 6 . 1 1 121 121 ARG CA C 121 55.250 55.250 54.042 1.208 17767 4139 1 6 . 1 1 121 121 ARG CB C 121 31.830 31.830 32.296 -0.466 17767 4140 1 6 . 1 1 121 121 ARG H H 121 9.110 9.110 8.079 1.031 17767 4141 1 6 . 1 1 122 122 SER N N 122 118.200 118.200 117.841 0.359 17767 4142 1 6 . 1 1 122 122 SER HA H 122 5.730 5.730 5.654 0.076 17767 4143 1 6 . 1 1 122 122 SER C C 122 173.010 173.010 173.213 -0.203 17767 4144 1 6 . 1 1 122 122 SER CA C 122 58.100 58.100 56.267 1.833 17767 4145 1 6 . 1 1 122 122 SER CB C 122 66.850 66.850 65.379 1.471 17767 4146 1 6 . 1 1 122 122 SER H H 122 9.290 9.290 9.332 -0.042 17767 4147 1 6 . 1 1 123 123 LYS N N 123 120.480 120.480 120.964 -0.484 17767 4148 1 6 . 1 1 123 123 LYS HA H 123 5.780 5.780 4.981 0.799 17767 4149 1 6 . 1 1 123 123 LYS C C 123 175.600 175.600 175.249 0.351 17767 4150 1 6 . 1 1 123 123 LYS CA C 123 54.130 54.130 55.228 -1.099 17767 4151 1 6 . 1 1 123 123 LYS CB C 123 36.330 36.330 36.068 0.262 17767 4152 1 6 . 1 1 123 123 LYS H H 123 8.650 8.650 8.800 -0.150 17767 4153 1 6 . 1 1 124 124 ARG N N 124 124.980 124.980 123.170 1.810 17767 4154 1 6 . 1 1 124 124 ARG HA H 124 3.940 3.940 4.797 -0.857 17767 4155 1 6 . 1 1 124 124 ARG C C 124 176.500 176.500 175.690 0.810 17767 4156 1 6 . 1 1 124 124 ARG CA C 124 56.900 56.900 55.634 1.266 17767 4157 1 6 . 1 1 124 124 ARG CB C 124 30.380 30.380 31.542 -1.162 17767 4158 1 6 . 1 1 124 124 ARG H H 124 8.200 8.200 8.844 -0.644 17767 4159 1 7 . 1 1 2 2 PHE HA H 2 4.460 4.460 4.911 -0.451 17767 4160 1 7 . 1 1 2 2 PHE C C 2 175.900 175.900 176.576 -0.676 17767 4161 1 7 . 1 1 2 2 PHE CA C 2 61.170 61.170 58.916 2.254 17767 4162 1 7 . 1 1 2 2 PHE CB C 2 40.690 40.690 40.709 -0.019 17767 4163 1 7 . 1 1 3 3 SER N N 3 111.380 111.380 116.159 -4.779 17767 4164 1 7 . 1 1 3 3 SER HA H 3 4.420 4.420 4.382 0.038 17767 4165 1 7 . 1 1 3 3 SER C C 3 174.700 174.700 174.741 -0.041 17767 4166 1 7 . 1 1 3 3 SER CA C 3 60.000 60.000 60.135 -0.135 17767 4167 1 7 . 1 1 3 3 SER CB C 3 64.140 64.140 62.398 1.742 17767 4168 1 7 . 1 1 3 3 SER H H 3 7.968 7.968 7.894 0.074 17767 4169 1 7 . 1 1 4 4 GLY N N 4 111.480 111.480 113.658 -2.178 17767 4170 1 7 . 1 1 4 4 GLY C C 4 171.800 171.800 171.390 0.410 17767 4171 1 7 . 1 1 4 4 GLY CA C 4 44.150 44.150 45.580 -1.429 17767 4172 1 7 . 1 1 4 4 GLY H H 4 9.080 9.080 8.259 0.821 17767 4173 1 7 . 1 1 5 5 THR N N 5 117.770 117.770 114.164 3.606 17767 4174 1 7 . 1 1 5 5 THR HA H 5 4.980 4.980 4.981 -0.001 17767 4175 1 7 . 1 1 5 5 THR C C 5 173.190 173.190 172.785 0.405 17767 4176 1 7 . 1 1 5 5 THR CA C 5 62.930 62.930 60.963 1.967 17767 4177 1 7 . 1 1 5 5 THR CB C 5 69.310 69.310 70.205 -0.895 17767 4178 1 7 . 1 1 5 5 THR H H 5 8.270 8.270 7.587 0.683 17767 4179 1 7 . 1 1 6 6 TRP N N 6 127.500 127.500 125.850 1.650 17767 4180 1 7 . 1 1 6 6 TRP HA H 6 5.130 5.130 5.206 -0.076 17767 4181 1 7 . 1 1 6 6 TRP CA C 6 55.300 55.300 55.509 -0.209 17767 4182 1 7 . 1 1 6 6 TRP CB C 6 32.290 32.290 31.358 0.932 17767 4183 1 7 . 1 1 6 6 TRP H H 6 9.560 9.560 9.014 0.546 17767 4184 1 7 . 1 1 7 7 GLN HA H 7 4.970 4.970 4.741 0.229 17767 4185 1 7 . 1 1 7 7 GLN C C 7 175.900 175.900 174.635 1.265 17767 4186 1 7 . 1 1 7 7 GLN CA C 7 54.720 54.720 54.889 -0.169 17767 4187 1 7 . 1 1 7 7 GLN CB C 7 32.400 32.400 30.737 1.663 17767 4188 1 7 . 1 1 8 8 VAL N N 8 131.400 131.400 128.728 2.672 17767 4189 1 7 . 1 1 8 8 VAL HA H 8 4.450 4.450 4.726 -0.276 17767 4190 1 7 . 1 1 8 8 VAL CA C 8 63.500 63.500 61.418 2.082 17767 4191 1 7 . 1 1 8 8 VAL CB C 8 32.300 32.300 33.044 -0.744 17767 4192 1 7 . 1 1 8 8 VAL H H 8 8.270 8.270 8.600 -0.330 17767 4193 1 7 . 1 1 9 9 TYR N N 9 123.300 123.300 121.984 1.316 17767 4194 1 7 . 1 1 9 9 TYR HA H 9 5.140 5.140 4.921 0.219 17767 4195 1 7 . 1 1 9 9 TYR C C 9 174.600 174.600 173.202 1.398 17767 4196 1 7 . 1 1 9 9 TYR CA C 9 56.600 56.600 56.073 0.527 17767 4197 1 7 . 1 1 9 9 TYR CB C 9 40.880 40.880 40.800 0.080 17767 4198 1 7 . 1 1 9 9 TYR H H 9 9.570 9.570 8.865 0.705 17767 4199 1 7 . 1 1 10 10 ALA N N 10 125.800 125.800 126.075 -0.275 17767 4200 1 7 . 1 1 10 10 ALA HA H 10 4.680 4.680 4.506 0.174 17767 4201 1 7 . 1 1 10 10 ALA C C 10 175.200 175.200 175.957 -0.757 17767 4202 1 7 . 1 1 10 10 ALA CA C 10 51.780 51.780 52.301 -0.521 17767 4203 1 7 . 1 1 10 10 ALA CB C 10 22.070 22.070 20.802 1.268 17767 4204 1 7 . 1 1 10 10 ALA H H 10 7.330 7.330 8.314 -0.984 17767 4205 1 7 . 1 1 11 11 GLN N N 11 118.300 118.300 119.101 -0.801 17767 4206 1 7 . 1 1 11 11 GLN HA H 11 5.370 5.370 4.531 0.839 17767 4207 1 7 . 1 1 11 11 GLN C C 11 174.700 174.700 175.185 -0.485 17767 4208 1 7 . 1 1 11 11 GLN CA C 11 54.460 54.460 56.112 -1.652 17767 4209 1 7 . 1 1 11 11 GLN CB C 11 32.870 32.870 29.340 3.530 17767 4210 1 7 . 1 1 11 11 GLN H H 11 8.700 8.700 8.591 0.109 17767 4211 1 7 . 1 1 12 12 GLU N N 12 123.800 123.800 120.455 3.345 17767 4212 1 7 . 1 1 12 12 GLU HA H 12 4.600 4.600 4.485 0.115 17767 4213 1 7 . 1 1 12 12 GLU C C 12 175.700 175.700 177.168 -1.468 17767 4214 1 7 . 1 1 12 12 GLU CA C 12 55.300 55.300 55.128 0.172 17767 4215 1 7 . 1 1 12 12 GLU CB C 12 31.760 31.760 30.857 0.903 17767 4216 1 7 . 1 1 12 12 GLU H H 12 9.130 9.130 8.518 0.612 17767 4217 1 7 . 1 1 13 13 ASN N N 13 117.550 117.550 120.600 -3.050 17767 4218 1 7 . 1 1 13 13 ASN HA H 13 4.790 4.790 4.740 0.050 17767 4219 1 7 . 1 1 13 13 ASN C C 13 175.600 175.600 175.156 0.444 17767 4220 1 7 . 1 1 13 13 ASN CA C 13 54.100 54.100 53.475 0.625 17767 4221 1 7 . 1 1 13 13 ASN CB C 13 37.100 37.100 36.715 0.385 17767 4222 1 7 . 1 1 13 13 ASN H H 13 9.130 9.130 8.922 0.208 17767 4223 1 7 . 1 1 14 14 TYR N N 14 118.280 118.280 124.034 -5.754 17767 4224 1 7 . 1 1 14 14 TYR HA H 14 4.360 4.360 4.167 0.193 17767 4225 1 7 . 1 1 14 14 TYR C C 14 176.500 176.500 176.505 -0.005 17767 4226 1 7 . 1 1 14 14 TYR CA C 14 60.590 60.590 62.933 -2.343 17767 4227 1 7 . 1 1 14 14 TYR CB C 14 39.450 39.450 38.980 0.470 17767 4228 1 7 . 1 1 14 14 TYR H H 14 7.900 7.900 8.637 -0.737 17767 4229 1 7 . 1 1 15 15 GLU N N 15 118.600 118.600 118.267 0.333 17767 4230 1 7 . 1 1 15 15 GLU HA H 15 3.550 3.550 4.035 -0.485 17767 4231 1 7 . 1 1 15 15 GLU C C 15 178.500 178.500 178.594 -0.094 17767 4232 1 7 . 1 1 15 15 GLU CA C 15 61.170 61.170 59.559 1.611 17767 4233 1 7 . 1 1 15 15 GLU CB C 15 28.700 28.700 28.810 -0.110 17767 4234 1 7 . 1 1 15 15 GLU H H 15 8.960 8.960 9.139 -0.179 17767 4235 1 7 . 1 1 16 16 GLU N N 16 118.800 118.800 119.668 -0.868 17767 4236 1 7 . 1 1 16 16 GLU HA H 16 3.880 3.880 4.135 -0.255 17767 4237 1 7 . 1 1 16 16 GLU C C 16 178.600 178.600 178.621 -0.021 17767 4238 1 7 . 1 1 16 16 GLU CA C 16 60.300 60.300 58.850 1.450 17767 4239 1 7 . 1 1 16 16 GLU CB C 16 28.600 28.600 29.453 -0.853 17767 4240 1 7 . 1 1 16 16 GLU H H 16 9.090 9.090 8.196 0.894 17767 4241 1 7 . 1 1 17 17 PHE N N 17 124.200 124.200 121.554 2.646 17767 4242 1 7 . 1 1 17 17 PHE HA H 17 3.960 3.960 4.185 -0.225 17767 4243 1 7 . 1 1 17 17 PHE C C 17 176.400 176.400 177.203 -0.803 17767 4244 1 7 . 1 1 17 17 PHE CA C 17 62.350 62.350 59.755 2.595 17767 4245 1 7 . 1 1 17 17 PHE CB C 17 40.380 40.380 38.741 1.639 17767 4246 1 7 . 1 1 17 17 PHE H H 17 8.410 8.410 7.726 0.684 17767 4247 1 7 . 1 1 18 18 LEU N N 18 116.400 116.400 117.393 -0.993 17767 4248 1 7 . 1 1 18 18 LEU HA H 18 3.780 3.780 3.501 0.279 17767 4249 1 7 . 1 1 18 18 LEU C C 18 178.800 178.800 178.606 0.194 17767 4250 1 7 . 1 1 18 18 LEU CA C 18 58.240 58.240 57.931 0.309 17767 4251 1 7 . 1 1 18 18 LEU CB C 18 41.220 41.220 40.977 0.243 17767 4252 1 7 . 1 1 18 18 LEU H H 18 8.200 8.200 7.757 0.443 17767 4253 1 7 . 1 1 19 19 LYS N N 19 116.590 116.590 117.089 -0.499 17767 4254 1 7 . 1 1 19 19 LYS HA H 19 4.040 4.040 4.056 -0.016 17767 4255 1 7 . 1 1 19 19 LYS C C 19 179.800 179.800 178.947 0.853 17767 4256 1 7 . 1 1 19 19 LYS CA C 19 58.820 58.820 58.840 -0.020 17767 4257 1 7 . 1 1 19 19 LYS CB C 19 32.150 32.150 31.886 0.264 17767 4258 1 7 . 1 1 19 19 LYS H H 19 7.790 7.790 7.507 0.283 17767 4259 1 7 . 1 1 20 20 ALA N N 20 126.110 126.110 120.582 5.528 17767 4260 1 7 . 1 1 20 20 ALA HA H 20 4.160 4.160 4.269 -0.109 17767 4261 1 7 . 1 1 20 20 ALA C C 20 178.600 178.600 178.038 0.562 17767 4262 1 7 . 1 1 20 20 ALA CA C 20 55.300 55.300 53.776 1.524 17767 4263 1 7 . 1 1 20 20 ALA CB C 20 17.700 17.700 18.603 -0.903 17767 4264 1 7 . 1 1 20 20 ALA H H 20 7.990 7.990 7.312 0.678 17767 4265 1 7 . 1 1 21 21 LEU N N 21 117.110 117.110 117.451 -0.341 17767 4266 1 7 . 1 1 21 21 LEU HA H 21 3.688 3.688 4.338 -0.650 17767 4267 1 7 . 1 1 21 21 LEU C C 21 176.100 176.100 176.102 -0.002 17767 4268 1 7 . 1 1 21 21 LEU CA C 21 55.400 55.400 53.738 1.662 17767 4269 1 7 . 1 1 21 21 LEU CB C 21 42.700 42.700 41.745 0.955 17767 4270 1 7 . 1 1 21 21 LEU H H 21 7.380 7.380 7.100 0.280 17767 4271 1 7 . 1 1 22 22 ALA N N 22 118.800 118.800 119.265 -0.465 17767 4272 1 7 . 1 1 22 22 ALA HA H 22 3.985 3.985 3.930 0.055 17767 4273 1 7 . 1 1 22 22 ALA C C 22 177.000 177.000 176.622 0.378 17767 4274 1 7 . 1 1 22 22 ALA CA C 22 52.370 52.370 52.650 -0.280 17767 4275 1 7 . 1 1 22 22 ALA CB C 22 15.960 15.960 16.721 -0.761 17767 4276 1 7 . 1 1 22 22 ALA H H 22 7.920 7.920 7.331 0.589 17767 4277 1 7 . 1 1 23 23 LEU N N 23 118.470 118.470 119.553 -1.083 17767 4278 1 7 . 1 1 23 23 LEU HA H 23 4.425 4.425 4.506 -0.081 17767 4279 1 7 . 1 1 23 23 LEU C C 23 174.500 174.500 175.418 -0.918 17767 4280 1 7 . 1 1 23 23 LEU CA C 23 54.130 54.130 52.350 1.780 17767 4281 1 7 . 1 1 23 23 LEU CB C 23 41.220 41.220 42.339 -1.119 17767 4282 1 7 . 1 1 23 23 LEU H H 23 6.950 6.950 7.302 -0.352 17767 4283 1 7 . 1 1 24 24 PRO HA H 24 4.475 4.475 4.476 -0.001 17767 4284 1 7 . 1 1 24 24 PRO C C 24 177.500 177.500 177.282 0.218 17767 4285 1 7 . 1 1 24 24 PRO CA C 24 62.940 62.940 62.504 0.436 17767 4286 1 7 . 1 1 24 24 PRO CB C 24 32.600 32.600 32.563 0.037 17767 4287 1 7 . 1 1 25 25 GLU N N 25 122.500 122.500 123.969 -1.469 17767 4288 1 7 . 1 1 25 25 GLU HA H 25 3.860 3.860 3.846 0.014 17767 4289 1 7 . 1 1 25 25 GLU C C 25 177.900 177.900 178.281 -0.381 17767 4290 1 7 . 1 1 25 25 GLU CA C 25 60.100 60.100 59.922 0.178 17767 4291 1 7 . 1 1 25 25 GLU CB C 25 29.690 29.690 29.374 0.316 17767 4292 1 7 . 1 1 25 25 GLU H H 25 8.840 8.840 8.950 -0.110 17767 4293 1 7 . 1 1 26 26 ASP N N 26 117.110 117.110 118.834 -1.724 17767 4294 1 7 . 1 1 26 26 ASP HA H 26 4.360 4.360 4.397 -0.037 17767 4295 1 7 . 1 1 26 26 ASP C C 26 177.900 177.900 178.902 -1.002 17767 4296 1 7 . 1 1 26 26 ASP CA C 26 57.080 57.080 56.999 0.081 17767 4297 1 7 . 1 1 26 26 ASP CB C 26 40.040 40.040 40.407 -0.367 17767 4298 1 7 . 1 1 26 26 ASP H H 26 8.920 8.920 8.385 0.535 17767 4299 1 7 . 1 1 27 27 LEU N N 27 121.990 121.990 120.824 1.166 17767 4300 1 7 . 1 1 27 27 LEU HA H 27 4.270 4.270 4.150 0.120 17767 4301 1 7 . 1 1 27 27 LEU C C 27 178.070 178.070 178.557 -0.487 17767 4302 1 7 . 1 1 27 27 LEU CA C 27 57.650 57.650 57.011 0.639 17767 4303 1 7 . 1 1 27 27 LEU CB C 27 42.230 42.230 42.260 -0.030 17767 4304 1 7 . 1 1 27 27 LEU H H 27 7.220 7.220 7.486 -0.266 17767 4305 1 7 . 1 1 28 28 ILE N N 28 120.350 120.350 118.972 1.378 17767 4306 1 7 . 1 1 28 28 ILE HA H 28 3.317 3.317 3.618 -0.301 17767 4307 1 7 . 1 1 28 28 ILE C C 28 177.400 177.400 177.817 -0.417 17767 4308 1 7 . 1 1 28 28 ILE CA C 28 67.040 67.040 64.984 2.056 17767 4309 1 7 . 1 1 28 28 ILE CB C 28 37.110 37.110 37.351 -0.241 17767 4310 1 7 . 1 1 28 28 ILE H H 28 7.900 7.900 8.234 -0.334 17767 4311 1 7 . 1 1 29 29 LYS N N 29 117.110 117.110 119.712 -2.602 17767 4312 1 7 . 1 1 29 29 LYS HA H 29 3.947 3.947 4.175 -0.228 17767 4313 1 7 . 1 1 29 29 LYS C C 29 178.900 178.900 177.864 1.036 17767 4314 1 7 . 1 1 29 29 LYS CA C 29 60.000 60.000 59.062 0.938 17767 4315 1 7 . 1 1 29 29 LYS CB C 29 32.390 32.390 32.613 -0.223 17767 4316 1 7 . 1 1 29 29 LYS H H 29 7.850 7.850 7.728 0.122 17767 4317 1 7 . 1 1 30 30 MET N N 30 117.110 117.110 117.582 -0.472 17767 4318 1 7 . 1 1 30 30 MET HA H 30 4.320 4.320 4.341 -0.021 17767 4319 1 7 . 1 1 30 30 MET C C 30 177.500 177.500 178.488 -0.988 17767 4320 1 7 . 1 1 30 30 MET CA C 30 57.650 57.650 58.110 -0.460 17767 4321 1 7 . 1 1 30 30 MET CB C 30 32.970 32.970 33.025 -0.055 17767 4322 1 7 . 1 1 30 30 MET H H 30 7.450 7.450 7.466 -0.016 17767 4323 1 7 . 1 1 31 31 ALA N N 31 120.480 120.480 122.696 -2.216 17767 4324 1 7 . 1 1 31 31 ALA HA H 31 4.270 4.270 4.100 0.170 17767 4325 1 7 . 1 1 31 31 ALA CA C 31 53.545 53.545 55.403 -1.857 17767 4326 1 7 . 1 1 31 31 ALA CB C 31 19.290 19.290 18.609 0.681 17767 4327 1 7 . 1 1 31 31 ALA H H 31 8.420 8.420 8.693 -0.273 17767 4328 1 7 . 1 1 32 32 ARG N N 32 122.170 122.170 116.183 5.987 17767 4329 1 7 . 1 1 32 32 ARG HA H 32 4.109 4.109 3.889 0.220 17767 4330 1 7 . 1 1 32 32 ARG C C 32 176.500 176.500 176.812 -0.312 17767 4331 1 7 . 1 1 32 32 ARG CA C 32 61.170 61.170 58.044 3.127 17767 4332 1 7 . 1 1 32 32 ARG CB C 32 30.600 30.600 29.941 0.659 17767 4333 1 7 . 1 1 32 32 ARG H H 32 7.770 7.770 7.999 -0.229 17767 4334 1 7 . 1 1 33 33 ASP N N 33 116.550 116.550 119.176 -2.626 17767 4335 1 7 . 1 1 33 33 ASP HA H 33 4.920 4.920 4.659 0.261 17767 4336 1 7 . 1 1 33 33 ASP C C 33 175.900 175.900 175.879 0.021 17767 4337 1 7 . 1 1 33 33 ASP CA C 33 54.130 54.130 54.471 -0.341 17767 4338 1 7 . 1 1 33 33 ASP CB C 33 41.760 41.760 42.421 -0.661 17767 4339 1 7 . 1 1 33 33 ASP H H 33 8.330 8.330 7.861 0.469 17767 4340 1 7 . 1 1 34 34 ILE N N 34 120.060 120.060 122.310 -2.250 17767 4341 1 7 . 1 1 34 34 ILE HA H 34 4.120 4.120 3.919 0.201 17767 4342 1 7 . 1 1 34 34 ILE C C 34 176.100 176.100 175.081 1.019 17767 4343 1 7 . 1 1 34 34 ILE CA C 34 61.170 61.170 62.387 -1.217 17767 4344 1 7 . 1 1 34 34 ILE CB C 34 37.860 37.860 36.396 1.464 17767 4345 1 7 . 1 1 34 34 ILE H H 34 7.240 7.240 7.401 -0.161 17767 4346 1 7 . 1 1 35 35 LYS N N 35 131.170 131.170 127.012 4.158 17767 4347 1 7 . 1 1 35 35 LYS HA H 35 4.700 4.700 4.802 -0.102 17767 4348 1 7 . 1 1 35 35 LYS C C 35 173.700 173.700 174.634 -0.934 17767 4349 1 7 . 1 1 35 35 LYS CA C 35 52.970 52.970 54.668 -1.698 17767 4350 1 7 . 1 1 35 35 LYS CB C 35 32.750 32.750 32.672 0.078 17767 4351 1 7 . 1 1 35 35 LYS H H 35 8.980 8.980 8.025 0.955 17767 4352 1 7 . 1 1 36 36 PRO HA H 36 4.510 4.510 4.611 -0.101 17767 4353 1 7 . 1 1 36 36 PRO CA C 36 63.523 63.523 61.824 1.700 17767 4354 1 7 . 1 1 36 36 PRO CB C 36 32.840 32.840 33.908 -1.068 17767 4355 1 7 . 1 1 37 37 ILE HA H 37 4.920 4.920 4.298 0.622 17767 4356 1 7 . 1 1 37 37 ILE C C 37 175.500 175.500 175.040 0.460 17767 4357 1 7 . 1 1 37 37 ILE CA C 37 60.588 60.588 59.575 1.014 17767 4358 1 7 . 1 1 37 37 ILE CB C 37 40.630 40.630 39.313 1.317 17767 4359 1 7 . 1 1 38 38 VAL N N 38 129.000 129.000 129.523 -0.523 17767 4360 1 7 . 1 1 38 38 VAL HA H 38 5.120 5.120 4.221 0.899 17767 4361 1 7 . 1 1 38 38 VAL C C 38 175.100 175.100 174.846 0.254 17767 4362 1 7 . 1 1 38 38 VAL CA C 38 61.176 61.176 62.133 -0.957 17767 4363 1 7 . 1 1 38 38 VAL CB C 38 34.850 34.850 32.690 2.160 17767 4364 1 7 . 1 1 38 38 VAL H H 38 9.540 9.540 9.124 0.416 17767 4365 1 7 . 1 1 39 39 GLU N N 39 128.350 128.350 128.942 -0.592 17767 4366 1 7 . 1 1 39 39 GLU HA H 39 5.440 5.440 4.700 0.740 17767 4367 1 7 . 1 1 39 39 GLU C C 39 176.000 176.000 174.719 1.281 17767 4368 1 7 . 1 1 39 39 GLU CA C 39 54.720 54.720 56.233 -1.512 17767 4369 1 7 . 1 1 39 39 GLU CB C 39 32.410 32.410 31.889 0.521 17767 4370 1 7 . 1 1 39 39 GLU H H 39 9.590 9.590 8.325 1.265 17767 4371 1 7 . 1 1 40 40 ILE N N 40 126.110 126.110 125.448 0.662 17767 4372 1 7 . 1 1 40 40 ILE HA H 40 5.050 5.050 5.181 -0.131 17767 4373 1 7 . 1 1 40 40 ILE C C 40 175.800 175.800 173.185 2.615 17767 4374 1 7 . 1 1 40 40 ILE CA C 40 61.330 61.330 58.635 2.695 17767 4375 1 7 . 1 1 40 40 ILE CB C 40 40.160 40.160 42.347 -2.187 17767 4376 1 7 . 1 1 40 40 ILE H H 40 9.630 9.630 8.492 1.138 17767 4377 1 7 . 1 1 41 41 GLN N N 41 128.360 128.360 127.361 0.999 17767 4378 1 7 . 1 1 41 41 GLN HA H 41 4.720 4.720 5.038 -0.318 17767 4379 1 7 . 1 1 41 41 GLN C C 41 173.900 173.900 173.936 -0.036 17767 4380 1 7 . 1 1 41 41 GLN CA C 41 54.940 54.940 53.481 1.459 17767 4381 1 7 . 1 1 41 41 GLN CB C 41 31.820 31.820 32.302 -0.482 17767 4382 1 7 . 1 1 41 41 GLN H H 41 9.270 9.270 8.749 0.521 17767 4383 1 7 . 1 1 42 42 GLN N N 42 126.110 126.110 122.475 3.635 17767 4384 1 7 . 1 1 42 42 GLN HA H 42 4.380 4.380 4.799 -0.419 17767 4385 1 7 . 1 1 42 42 GLN C C 42 174.700 174.700 174.989 -0.289 17767 4386 1 7 . 1 1 42 42 GLN CA C 42 54.150 54.150 53.265 0.885 17767 4387 1 7 . 1 1 42 42 GLN CB C 42 30.000 30.000 31.894 -1.894 17767 4388 1 7 . 1 1 42 42 GLN H H 42 8.250 8.250 8.746 -0.496 17767 4389 1 7 . 1 1 43 43 LYS N N 43 130.610 130.610 121.007 9.603 17767 4390 1 7 . 1 1 43 43 LYS HA H 43 4.460 4.460 4.486 -0.026 17767 4391 1 7 . 1 1 43 43 LYS C C 43 176.030 176.030 175.868 0.162 17767 4392 1 7 . 1 1 43 43 LYS CA C 43 55.306 55.306 55.537 -0.231 17767 4393 1 7 . 1 1 43 43 LYS CB C 43 33.270 33.270 32.621 0.649 17767 4394 1 7 . 1 1 43 43 LYS H H 43 8.820 8.820 8.641 0.179 17767 4395 1 7 . 1 1 44 44 GLY N N 44 117.110 117.110 111.804 5.306 17767 4396 1 7 . 1 1 44 44 GLY C C 44 174.300 174.300 174.225 0.075 17767 4397 1 7 . 1 1 44 44 GLY CA C 44 47.480 47.480 46.204 1.276 17767 4398 1 7 . 1 1 44 44 GLY H H 44 8.940 8.940 8.191 0.749 17767 4399 1 7 . 1 1 45 45 ASP N N 45 127.799 127.799 125.273 2.526 17767 4400 1 7 . 1 1 45 45 ASP HA H 45 4.870 4.870 5.018 -0.148 17767 4401 1 7 . 1 1 45 45 ASP C C 45 174.700 174.700 175.157 -0.457 17767 4402 1 7 . 1 1 45 45 ASP CA C 45 54.719 54.719 54.985 -0.266 17767 4403 1 7 . 1 1 45 45 ASP CB C 45 41.270 41.270 42.191 -0.921 17767 4404 1 7 . 1 1 45 45 ASP H H 45 8.870 8.870 8.381 0.489 17767 4405 1 7 . 1 1 46 46 ASP N N 46 120.480 120.480 121.132 -0.652 17767 4406 1 7 . 1 1 46 46 ASP HA H 46 5.230 5.230 5.243 -0.013 17767 4407 1 7 . 1 1 46 46 ASP C C 46 175.070 175.070 174.645 0.425 17767 4408 1 7 . 1 1 46 46 ASP CA C 46 54.132 54.132 54.545 -0.413 17767 4409 1 7 . 1 1 46 46 ASP CB C 46 41.570 41.570 41.831 -0.261 17767 4410 1 7 . 1 1 46 46 ASP H H 46 8.060 8.060 7.557 0.503 17767 4411 1 7 . 1 1 47 47 PHE N N 47 122.730 122.730 122.571 0.159 17767 4412 1 7 . 1 1 47 47 PHE HA H 47 5.090 5.090 4.896 0.194 17767 4413 1 7 . 1 1 47 47 PHE C C 47 176.400 176.400 174.572 1.828 17767 4414 1 7 . 1 1 47 47 PHE CA C 47 56.420 56.420 55.660 0.760 17767 4415 1 7 . 1 1 47 47 PHE CB C 47 44.150 44.150 42.855 1.295 17767 4416 1 7 . 1 1 47 47 PHE H H 47 9.296 9.296 9.100 0.196 17767 4417 1 7 . 1 1 48 48 VAL N N 48 121.690 121.690 121.919 -0.229 17767 4418 1 7 . 1 1 48 48 VAL HA H 48 4.500 4.500 4.482 0.018 17767 4419 1 7 . 1 1 48 48 VAL C C 48 175.700 175.700 174.502 1.198 17767 4420 1 7 . 1 1 48 48 VAL CA C 48 62.930 62.930 61.518 1.412 17767 4421 1 7 . 1 1 48 48 VAL CB C 48 34.670 34.670 33.849 0.821 17767 4422 1 7 . 1 1 48 48 VAL H H 48 8.520 8.520 8.952 -0.432 17767 4423 1 7 . 1 1 49 49 VAL N N 49 127.200 127.200 129.077 -1.877 17767 4424 1 7 . 1 1 49 49 VAL HA H 49 5.250 5.250 4.677 0.573 17767 4425 1 7 . 1 1 49 49 VAL C C 49 175.700 175.700 175.358 0.342 17767 4426 1 7 . 1 1 49 49 VAL CA C 49 61.180 61.180 61.330 -0.150 17767 4427 1 7 . 1 1 49 49 VAL CB C 49 34.660 34.660 33.027 1.633 17767 4428 1 7 . 1 1 49 49 VAL H H 49 9.330 9.330 9.365 -0.035 17767 4429 1 7 . 1 1 50 50 THR N N 50 128.500 128.500 124.356 4.144 17767 4430 1 7 . 1 1 50 50 THR HA H 50 5.430 5.430 5.294 0.136 17767 4431 1 7 . 1 1 50 50 THR C C 50 173.810 173.810 173.538 0.272 17767 4432 1 7 . 1 1 50 50 THR CA C 50 61.530 61.530 60.976 0.554 17767 4433 1 7 . 1 1 50 50 THR CB C 50 70.760 70.760 70.652 0.108 17767 4434 1 7 . 1 1 50 50 THR H H 50 9.730 9.730 9.326 0.404 17767 4435 1 7 . 1 1 51 51 SER N N 51 122.730 122.730 121.783 0.947 17767 4436 1 7 . 1 1 51 51 SER HA H 51 5.430 5.430 4.884 0.546 17767 4437 1 7 . 1 1 51 51 SER C C 51 173.800 173.800 174.234 -0.434 17767 4438 1 7 . 1 1 51 51 SER CA C 51 57.060 57.060 56.788 0.272 17767 4439 1 7 . 1 1 51 51 SER CB C 51 64.550 64.550 64.812 -0.262 17767 4440 1 7 . 1 1 51 51 SER H H 51 9.190 9.190 8.417 0.773 17767 4441 1 7 . 1 1 52 52 LYS N N 52 125.550 125.550 126.765 -1.215 17767 4442 1 7 . 1 1 52 52 LYS HA H 52 5.310 5.310 4.434 0.876 17767 4443 1 7 . 1 1 52 52 LYS C C 52 175.900 175.900 176.192 -0.292 17767 4444 1 7 . 1 1 52 52 LYS CA C 52 56.120 56.120 56.068 0.052 17767 4445 1 7 . 1 1 52 52 LYS CB C 52 36.130 36.130 33.924 2.206 17767 4446 1 7 . 1 1 52 52 LYS H H 52 9.490 9.490 8.593 0.897 17767 4447 1 7 . 1 1 53 53 THR N N 53 115.980 115.980 114.456 1.524 17767 4448 1 7 . 1 1 53 53 THR HA H 53 5.024 5.024 4.719 0.305 17767 4449 1 7 . 1 1 53 53 THR C C 53 173.400 173.400 172.318 1.082 17767 4450 1 7 . 1 1 53 53 THR CA C 53 59.140 59.140 58.955 0.185 17767 4451 1 7 . 1 1 53 53 THR CB C 53 69.300 69.300 70.501 -1.201 17767 4452 1 7 . 1 1 53 53 THR H H 53 8.760 8.760 8.124 0.636 17767 4453 1 7 . 1 1 54 54 PRO HA H 54 4.350 4.350 4.445 -0.095 17767 4454 1 7 . 1 1 54 54 PRO C C 54 177.200 177.200 176.800 0.400 17767 4455 1 7 . 1 1 54 54 PRO CA C 54 66.458 66.458 64.069 2.389 17767 4456 1 7 . 1 1 54 54 PRO CB C 54 32.400 32.400 32.009 0.391 17767 4457 1 7 . 1 1 55 55 ARG N N 55 111.480 111.480 116.792 -5.312 17767 4458 1 7 . 1 1 55 55 ARG HA H 55 4.510 4.510 4.557 -0.047 17767 4459 1 7 . 1 1 55 55 ARG C C 55 175.800 175.800 176.316 -0.516 17767 4460 1 7 . 1 1 55 55 ARG CA C 55 55.893 55.893 56.486 -0.593 17767 4461 1 7 . 1 1 55 55 ARG CB C 55 32.520 32.520 32.839 -0.319 17767 4462 1 7 . 1 1 55 55 ARG H H 55 8.010 8.010 7.734 0.276 17767 4463 1 7 . 1 1 56 56 GLN N N 56 118.230 118.230 118.654 -0.424 17767 4464 1 7 . 1 1 56 56 GLN HA H 56 4.830 4.830 4.537 0.293 17767 4465 1 7 . 1 1 56 56 GLN C C 56 174.200 174.200 174.098 0.102 17767 4466 1 7 . 1 1 56 56 GLN CA C 56 55.610 55.610 55.477 0.133 17767 4467 1 7 . 1 1 56 56 GLN CB C 56 32.880 32.880 31.629 1.251 17767 4468 1 7 . 1 1 56 56 GLN H H 56 7.530 7.530 8.396 -0.866 17767 4469 1 7 . 1 1 57 57 THR N N 57 120.480 120.480 121.206 -0.726 17767 4470 1 7 . 1 1 57 57 THR HA H 57 5.330 5.330 4.844 0.486 17767 4471 1 7 . 1 1 57 57 THR C C 57 174.000 174.000 174.925 -0.925 17767 4472 1 7 . 1 1 57 57 THR CA C 57 61.760 61.760 62.310 -0.550 17767 4473 1 7 . 1 1 57 57 THR CB C 57 71.500 71.500 69.517 1.983 17767 4474 1 7 . 1 1 57 57 THR H H 57 8.610 8.610 8.389 0.221 17767 4475 1 7 . 1 1 58 58 VAL N N 58 125.200 125.200 124.760 0.440 17767 4476 1 7 . 1 1 58 58 VAL HA H 58 4.540 4.540 4.642 -0.102 17767 4477 1 7 . 1 1 58 58 VAL C C 58 174.400 174.400 174.691 -0.291 17767 4478 1 7 . 1 1 58 58 VAL CA C 58 61.170 61.170 59.454 1.716 17767 4479 1 7 . 1 1 58 58 VAL CB C 58 35.560 35.560 34.203 1.357 17767 4480 1 7 . 1 1 58 58 VAL H H 58 8.830 8.830 8.592 0.238 17767 4481 1 7 . 1 1 59 59 THR N N 59 125.500 125.500 118.511 6.989 17767 4482 1 7 . 1 1 59 59 THR HA H 59 5.260 5.260 5.098 0.162 17767 4483 1 7 . 1 1 59 59 THR C C 59 173.400 173.400 173.728 -0.328 17767 4484 1 7 . 1 1 59 59 THR CA C 59 61.980 61.980 61.398 0.583 17767 4485 1 7 . 1 1 59 59 THR CB C 59 71.150 71.150 70.677 0.473 17767 4486 1 7 . 1 1 59 59 THR H H 59 8.870 8.870 8.212 0.658 17767 4487 1 7 . 1 1 60 60 ASN N N 60 124.700 124.700 126.782 -2.082 17767 4488 1 7 . 1 1 60 60 ASN HA H 60 5.270 5.270 5.046 0.224 17767 4489 1 7 . 1 1 60 60 ASN C C 60 173.300 173.300 173.718 -0.418 17767 4490 1 7 . 1 1 60 60 ASN CA C 60 53.000 53.000 52.625 0.375 17767 4491 1 7 . 1 1 60 60 ASN CB C 60 44.700 44.700 41.788 2.913 17767 4492 1 7 . 1 1 60 60 ASN H H 60 9.180 9.180 9.222 -0.042 17767 4493 1 7 . 1 1 61 61 SER N N 61 115.980 115.980 118.108 -2.128 17767 4494 1 7 . 1 1 61 61 SER HA H 61 5.430 5.430 5.592 -0.162 17767 4495 1 7 . 1 1 61 61 SER C C 61 173.300 173.300 173.445 -0.145 17767 4496 1 7 . 1 1 61 61 SER CA C 61 57.060 57.060 56.271 0.789 17767 4497 1 7 . 1 1 61 61 SER CB C 61 65.590 65.590 66.170 -0.580 17767 4498 1 7 . 1 1 61 61 SER H H 61 8.840 8.840 8.696 0.144 17767 4499 1 7 . 1 1 62 62 PHE N N 62 117.670 117.670 116.507 1.163 17767 4500 1 7 . 1 1 62 62 PHE HA H 62 5.020 5.020 4.912 0.108 17767 4501 1 7 . 1 1 62 62 PHE C C 62 173.100 173.100 173.176 -0.076 17767 4502 1 7 . 1 1 62 62 PHE CA C 62 56.590 56.590 57.000 -0.410 17767 4503 1 7 . 1 1 62 62 PHE CB C 62 40.030 40.030 40.427 -0.397 17767 4504 1 7 . 1 1 62 62 PHE H H 62 8.235 8.235 8.785 -0.550 17767 4505 1 7 . 1 1 63 63 THR N N 63 119.920 119.920 116.182 3.738 17767 4506 1 7 . 1 1 63 63 THR HA H 63 5.500 5.500 4.970 0.530 17767 4507 1 7 . 1 1 63 63 THR C C 63 175.600 175.600 174.589 1.011 17767 4508 1 7 . 1 1 63 63 THR CA C 63 61.170 61.170 61.301 -0.131 17767 4509 1 7 . 1 1 63 63 THR CB C 63 72.320 72.320 70.291 2.029 17767 4510 1 7 . 1 1 63 63 THR H H 63 9.650 9.650 8.762 0.888 17767 4511 1 7 . 1 1 64 64 LEU N N 64 126.300 126.300 128.304 -2.004 17767 4512 1 7 . 1 1 64 64 LEU HA H 64 4.430 4.430 3.978 0.452 17767 4513 1 7 . 1 1 64 64 LEU C C 64 178.000 178.000 178.423 -0.423 17767 4514 1 7 . 1 1 64 64 LEU CA C 64 56.100 56.100 56.209 -0.109 17767 4515 1 7 . 1 1 64 64 LEU CB C 64 41.330 41.330 40.773 0.557 17767 4516 1 7 . 1 1 64 64 LEU H H 64 9.280 9.280 8.926 0.354 17767 4517 1 7 . 1 1 65 65 GLY N N 65 107.520 107.520 112.227 -4.707 17767 4518 1 7 . 1 1 65 65 GLY C C 65 173.800 173.800 173.849 -0.049 17767 4519 1 7 . 1 1 65 65 GLY CA C 65 45.780 45.780 44.892 0.887 17767 4520 1 7 . 1 1 65 65 GLY H H 65 9.110 9.110 8.932 0.178 17767 4521 1 7 . 1 1 66 66 LYS N N 66 121.600 121.600 119.352 2.248 17767 4522 1 7 . 1 1 66 66 LYS HA H 66 4.780 4.780 4.580 0.200 17767 4523 1 7 . 1 1 66 66 LYS C C 66 175.600 175.600 174.833 0.767 17767 4524 1 7 . 1 1 66 66 LYS CA C 66 54.100 54.100 54.054 0.046 17767 4525 1 7 . 1 1 66 66 LYS CB C 66 34.620 34.620 36.445 -1.825 17767 4526 1 7 . 1 1 66 66 LYS H H 66 7.910 7.910 7.990 -0.080 17767 4527 1 7 . 1 1 67 67 GLU N N 67 129.400 129.400 121.195 8.205 17767 4528 1 7 . 1 1 67 67 GLU HA H 67 4.070 4.070 4.505 -0.435 17767 4529 1 7 . 1 1 67 67 GLU C C 67 175.030 175.030 175.728 -0.698 17767 4530 1 7 . 1 1 67 67 GLU CA C 67 59.220 59.220 56.203 3.018 17767 4531 1 7 . 1 1 67 67 GLU CB C 67 30.400 30.400 30.635 -0.235 17767 4532 1 7 . 1 1 67 67 GLU H H 67 8.940 8.940 8.610 0.330 17767 4533 1 7 . 1 1 68 68 ALA N N 68 130.940 130.940 128.989 1.951 17767 4534 1 7 . 1 1 68 68 ALA HA H 68 4.900 4.900 4.691 0.209 17767 4535 1 7 . 1 1 68 68 ALA C C 68 176.000 176.000 175.362 0.638 17767 4536 1 7 . 1 1 68 68 ALA CA C 68 51.000 51.000 50.876 0.124 17767 4537 1 7 . 1 1 68 68 ALA CB C 68 22.440 22.440 23.047 -0.607 17767 4538 1 7 . 1 1 68 68 ALA H H 68 8.660 8.660 8.813 -0.153 17767 4539 1 7 . 1 1 69 69 ASP N N 69 120.500 120.500 123.469 -2.969 17767 4540 1 7 . 1 1 69 69 ASP HA H 69 5.000 5.000 4.890 0.110 17767 4541 1 7 . 1 1 69 69 ASP C C 69 174.400 174.400 176.084 -1.684 17767 4542 1 7 . 1 1 69 69 ASP CA C 69 54.670 54.670 54.176 0.494 17767 4543 1 7 . 1 1 69 69 ASP CB C 69 41.930 41.930 41.171 0.759 17767 4544 1 7 . 1 1 69 69 ASP H H 69 8.330 8.330 8.632 -0.302 17767 4545 1 7 . 1 1 70 70 ILE N N 70 125.540 125.540 120.168 5.372 17767 4546 1 7 . 1 1 70 70 ILE HA H 70 4.510 4.510 4.699 -0.189 17767 4547 1 7 . 1 1 70 70 ILE C C 70 175.300 175.300 174.089 1.211 17767 4548 1 7 . 1 1 70 70 ILE CA C 70 57.690 57.690 59.691 -2.001 17767 4549 1 7 . 1 1 70 70 ILE CB C 70 40.040 40.040 41.741 -1.701 17767 4550 1 7 . 1 1 70 70 ILE H H 70 8.850 8.850 8.432 0.418 17767 4551 1 7 . 1 1 71 71 THR N N 71 123.860 123.860 117.518 6.342 17767 4552 1 7 . 1 1 71 71 THR HA H 71 5.240 5.240 5.050 0.190 17767 4553 1 7 . 1 1 71 71 THR C C 71 174.600 174.600 174.066 0.534 17767 4554 1 7 . 1 1 71 71 THR CA C 71 61.610 61.610 61.386 0.224 17767 4555 1 7 . 1 1 71 71 THR CB C 71 70.370 70.370 70.714 -0.344 17767 4556 1 7 . 1 1 71 71 THR H H 71 9.460 9.460 8.448 1.012 17767 4557 1 7 . 1 1 72 72 THR N N 72 115.980 115.980 119.721 -3.741 17767 4558 1 7 . 1 1 72 72 THR HA H 72 4.550 4.550 4.650 -0.100 17767 4559 1 7 . 1 1 72 72 THR C C 72 177.300 177.300 176.377 0.923 17767 4560 1 7 . 1 1 72 72 THR CA C 72 60.550 60.550 60.039 0.511 17767 4561 1 7 . 1 1 72 72 THR CB C 72 70.710 70.710 69.829 0.881 17767 4562 1 7 . 1 1 72 72 THR H H 72 8.700 8.700 8.317 0.383 17767 4563 1 7 . 1 1 73 73 MET N N 73 119.830 119.830 122.463 -2.633 17767 4564 1 7 . 1 1 73 73 MET HA H 73 4.110 4.110 4.325 -0.215 17767 4565 1 7 . 1 1 73 73 MET C C 73 176.200 176.200 176.739 -0.539 17767 4566 1 7 . 1 1 73 73 MET CA C 73 58.900 58.900 58.142 0.758 17767 4567 1 7 . 1 1 73 73 MET CB C 73 34.760 34.760 32.399 2.361 17767 4568 1 7 . 1 1 73 73 MET H H 73 10.360 10.360 8.575 1.785 17767 4569 1 7 . 1 1 74 74 ASP N N 74 112.220 112.220 119.105 -6.885 17767 4570 1 7 . 1 1 74 74 ASP HA H 74 4.800 4.800 4.524 0.276 17767 4571 1 7 . 1 1 74 74 ASP C C 74 175.600 175.600 177.012 -1.412 17767 4572 1 7 . 1 1 74 74 ASP CA C 74 52.630 52.630 54.056 -1.426 17767 4573 1 7 . 1 1 74 74 ASP CB C 74 38.870 38.870 41.066 -2.196 17767 4574 1 7 . 1 1 74 74 ASP H H 74 8.680 8.680 7.792 0.888 17767 4575 1 7 . 1 1 75 75 GLY N N 75 108.040 108.040 106.567 1.473 17767 4576 1 7 . 1 1 75 75 GLY C C 75 175.000 175.000 173.694 1.306 17767 4577 1 7 . 1 1 75 75 GLY CA C 75 46.400 46.400 45.055 1.345 17767 4578 1 7 . 1 1 75 75 GLY H H 75 7.600 7.600 7.482 0.118 17767 4579 1 7 . 1 1 76 76 LYS N N 76 120.500 120.500 120.351 0.149 17767 4580 1 7 . 1 1 76 76 LYS HA H 76 4.440 4.440 4.462 -0.022 17767 4581 1 7 . 1 1 76 76 LYS C C 76 175.400 175.400 176.008 -0.608 17767 4582 1 7 . 1 1 76 76 LYS CA C 76 55.240 55.240 54.575 0.665 17767 4583 1 7 . 1 1 76 76 LYS CB C 76 33.500 33.500 33.335 0.165 17767 4584 1 7 . 1 1 76 76 LYS H H 76 8.260 8.260 7.855 0.405 17767 4585 1 7 . 1 1 77 77 LYS N N 77 119.300 119.300 124.896 -5.596 17767 4586 1 7 . 1 1 77 77 LYS HA H 77 5.370 5.370 4.368 1.002 17767 4587 1 7 . 1 1 77 77 LYS C C 77 176.100 176.100 175.951 0.149 17767 4588 1 7 . 1 1 77 77 LYS CA C 77 54.360 54.360 55.943 -1.583 17767 4589 1 7 . 1 1 77 77 LYS CB C 77 32.840 32.840 31.561 1.279 17767 4590 1 7 . 1 1 77 77 LYS H H 77 8.130 8.130 8.640 -0.510 17767 4591 1 7 . 1 1 78 78 LEU N N 78 123.860 123.860 125.899 -2.039 17767 4592 1 7 . 1 1 78 78 LEU HA H 78 4.910 4.910 4.767 0.143 17767 4593 1 7 . 1 1 78 78 LEU C C 78 175.600 175.600 174.907 0.693 17767 4594 1 7 . 1 1 78 78 LEU CA C 78 53.170 53.170 53.190 -0.020 17767 4595 1 7 . 1 1 78 78 LEU CB C 78 45.780 45.780 44.672 1.108 17767 4596 1 7 . 1 1 78 78 LEU H H 78 9.028 9.028 8.559 0.469 17767 4597 1 7 . 1 1 79 79 LYS N N 79 119.280 119.280 116.926 2.354 17767 4598 1 7 . 1 1 79 79 LYS HA H 79 5.615 5.615 5.073 0.542 17767 4599 1 7 . 1 1 79 79 LYS C C 79 176.600 176.600 174.697 1.903 17767 4600 1 7 . 1 1 79 79 LYS CA C 79 55.000 55.000 55.641 -0.641 17767 4601 1 7 . 1 1 79 79 LYS CB C 79 36.850 36.850 33.914 2.936 17767 4602 1 7 . 1 1 79 79 LYS H H 79 8.240 8.240 8.156 0.084 17767 4603 1 7 . 1 1 80 80 CYS N N 80 115.980 115.980 122.981 -7.001 17767 4604 1 7 . 1 1 80 80 CYS HA H 80 4.700 4.700 4.863 -0.163 17767 4605 1 7 . 1 1 80 80 CYS C C 80 173.500 173.500 173.973 -0.473 17767 4606 1 7 . 1 1 80 80 CYS CA C 80 56.500 56.500 57.253 -0.753 17767 4607 1 7 . 1 1 80 80 CYS CB C 80 45.700 45.700 30.844 14.856 17767 4608 1 7 . 1 1 80 80 CYS H H 80 8.306 8.306 8.724 -0.418 17767 4609 1 7 . 1 1 81 81 THR N N 81 122.000 122.000 121.463 0.537 17767 4610 1 7 . 1 1 81 81 THR HA H 81 4.303 4.303 4.720 -0.417 17767 4611 1 7 . 1 1 81 81 THR C C 81 173.100 173.100 173.877 -0.777 17767 4612 1 7 . 1 1 81 81 THR CA C 81 62.460 62.460 60.272 2.188 17767 4613 1 7 . 1 1 81 81 THR CB C 81 68.200 68.200 68.477 -0.277 17767 4614 1 7 . 1 1 81 81 THR H H 81 8.840 8.840 8.712 0.128 17767 4615 1 7 . 1 1 82 82 VAL N N 82 132.160 132.160 122.404 9.756 17767 4616 1 7 . 1 1 82 82 VAL HA H 82 4.449 4.449 4.030 0.419 17767 4617 1 7 . 1 1 82 82 VAL C C 82 175.100 175.100 175.318 -0.218 17767 4618 1 7 . 1 1 82 82 VAL CA C 82 61.760 61.760 63.163 -1.403 17767 4619 1 7 . 1 1 82 82 VAL CB C 82 31.200 31.200 31.154 0.046 17767 4620 1 7 . 1 1 82 82 VAL H H 82 9.520 9.520 7.805 1.715 17767 4621 1 7 . 1 1 83 83 HIS N N 83 123.860 123.860 121.437 2.423 17767 4622 1 7 . 1 1 83 83 HIS HA H 83 5.009 5.009 4.926 0.083 17767 4623 1 7 . 1 1 83 83 HIS C C 83 173.500 173.500 173.148 0.352 17767 4624 1 7 . 1 1 83 83 HIS CA C 83 55.300 55.300 53.795 1.505 17767 4625 1 7 . 1 1 83 83 HIS CB C 83 33.400 33.400 32.715 0.685 17767 4626 1 7 . 1 1 83 83 HIS H H 83 8.740 8.740 8.708 0.032 17767 4627 1 7 . 1 1 84 84 LEU N N 84 121.600 121.600 124.420 -2.820 17767 4628 1 7 . 1 1 84 84 LEU HA H 84 5.420 5.420 5.009 0.411 17767 4629 1 7 . 1 1 84 84 LEU C C 84 176.500 176.500 175.493 1.007 17767 4630 1 7 . 1 1 84 84 LEU CA C 84 53.790 53.790 54.529 -0.739 17767 4631 1 7 . 1 1 84 84 LEU CB C 84 44.740 44.740 43.306 1.434 17767 4632 1 7 . 1 1 84 84 LEU H H 84 8.850 8.850 8.468 0.382 17767 4633 1 7 . 1 1 85 85 ALA N N 85 128.800 128.800 130.022 -1.222 17767 4634 1 7 . 1 1 85 85 ALA HA H 85 4.750 4.750 4.716 0.034 17767 4635 1 7 . 1 1 85 85 ALA C C 85 177.000 177.000 176.887 0.113 17767 4636 1 7 . 1 1 85 85 ALA CA C 85 51.480 51.480 51.568 -0.088 17767 4637 1 7 . 1 1 85 85 ALA CB C 85 20.910 20.910 20.739 0.171 17767 4638 1 7 . 1 1 85 85 ALA H H 85 9.230 9.230 9.058 0.172 17767 4639 1 7 . 1 1 86 86 ASN HA H 86 4.430 4.430 4.378 0.052 17767 4640 1 7 . 1 1 86 86 ASN C C 86 175.400 175.400 175.329 0.071 17767 4641 1 7 . 1 1 86 86 ASN CA C 86 54.140 54.140 53.929 0.211 17767 4642 1 7 . 1 1 86 86 ASN CB C 86 37.550 37.550 37.955 -0.405 17767 4643 1 7 . 1 1 87 87 GLY N N 87 103.430 103.430 101.131 2.299 17767 4644 1 7 . 1 1 87 87 GLY C C 87 173.800 173.800 173.848 -0.048 17767 4645 1 7 . 1 1 87 87 GLY CA C 87 45.670 45.670 45.520 0.150 17767 4646 1 7 . 1 1 87 87 GLY H H 87 8.620 8.620 8.602 0.018 17767 4647 1 7 . 1 1 88 88 LYS N N 88 120.490 120.490 119.512 0.978 17767 4648 1 7 . 1 1 88 88 LYS HA H 88 5.120 5.120 4.954 0.166 17767 4649 1 7 . 1 1 88 88 LYS C C 88 175.500 175.500 174.473 1.027 17767 4650 1 7 . 1 1 88 88 LYS CA C 88 55.140 55.140 54.812 0.328 17767 4651 1 7 . 1 1 88 88 LYS CB C 88 34.610 34.610 34.783 -0.173 17767 4652 1 7 . 1 1 88 88 LYS H H 88 7.880 7.880 7.528 0.352 17767 4653 1 7 . 1 1 89 89 LEU N N 89 124.420 124.420 124.835 -0.415 17767 4654 1 7 . 1 1 89 89 LEU HA H 89 4.730 4.730 4.448 0.282 17767 4655 1 7 . 1 1 89 89 LEU C C 89 176.700 176.700 174.924 1.776 17767 4656 1 7 . 1 1 89 89 LEU CA C 89 54.500 54.500 53.874 0.626 17767 4657 1 7 . 1 1 89 89 LEU CB C 89 44.150 44.150 42.941 1.209 17767 4658 1 7 . 1 1 89 89 LEU H H 89 8.780 8.780 8.372 0.408 17767 4659 1 7 . 1 1 90 90 VAL N N 90 122.500 122.500 126.294 -3.794 17767 4660 1 7 . 1 1 90 90 VAL HA H 90 5.420 5.420 4.186 1.234 17767 4661 1 7 . 1 1 90 90 VAL C C 90 175.200 175.200 173.913 1.287 17767 4662 1 7 . 1 1 90 90 VAL CA C 90 60.350 60.350 61.248 -0.898 17767 4663 1 7 . 1 1 90 90 VAL CB C 90 35.930 35.930 32.642 3.288 17767 4664 1 7 . 1 1 90 90 VAL H H 90 9.050 9.050 8.784 0.266 17767 4665 1 7 . 1 1 91 91 CYS N N 91 123.100 123.100 129.386 -6.286 17767 4666 1 7 . 1 1 91 91 CYS HA H 91 5.370 5.370 4.853 0.517 17767 4667 1 7 . 1 1 91 91 CYS C C 91 172.700 172.700 172.778 -0.078 17767 4668 1 7 . 1 1 91 91 CYS CA C 91 55.230 55.230 57.023 -1.793 17767 4669 1 7 . 1 1 91 91 CYS CB C 91 42.970 42.970 27.462 15.508 17767 4670 1 7 . 1 1 91 91 CYS H H 91 8.820 8.820 8.559 0.261 17767 4671 1 7 . 1 1 92 92 LYS N N 92 128.900 128.900 129.009 -0.109 17767 4672 1 7 . 1 1 92 92 LYS HA H 92 5.000 5.000 4.624 0.376 17767 4673 1 7 . 1 1 92 92 LYS C C 92 174.270 174.270 175.507 -1.237 17767 4674 1 7 . 1 1 92 92 LYS CA C 92 55.360 55.360 55.062 0.298 17767 4675 1 7 . 1 1 92 92 LYS CB C 92 35.960 35.960 35.031 0.929 17767 4676 1 7 . 1 1 92 92 LYS H H 92 9.450 9.450 8.466 0.984 17767 4677 1 7 . 1 1 93 93 SER N N 93 119.300 119.300 121.133 -1.833 17767 4678 1 7 . 1 1 93 93 SER HA H 93 4.710 4.710 4.813 -0.103 17767 4679 1 7 . 1 1 93 93 SER C C 93 174.200 174.200 175.295 -1.095 17767 4680 1 7 . 1 1 93 93 SER CA C 93 55.430 55.430 57.136 -1.706 17767 4681 1 7 . 1 1 93 93 SER CB C 93 66.460 66.460 63.925 2.535 17767 4682 1 7 . 1 1 93 93 SER H H 93 8.620 8.620 8.722 -0.102 17767 4683 1 7 . 1 1 94 94 GLU N N 94 119.900 119.900 120.709 -0.809 17767 4684 1 7 . 1 1 94 94 GLU HA H 94 4.090 4.090 4.278 -0.188 17767 4685 1 7 . 1 1 94 94 GLU C C 94 177.600 177.600 176.968 0.632 17767 4686 1 7 . 1 1 94 94 GLU CA C 94 59.440 59.440 58.429 1.011 17767 4687 1 7 . 1 1 94 94 GLU CB C 94 29.360 29.360 29.838 -0.478 17767 4688 1 7 . 1 1 94 94 GLU H H 94 8.670 8.670 8.783 -0.113 17767 4689 1 7 . 1 1 95 95 LYS N N 95 113.500 113.500 117.162 -3.662 17767 4690 1 7 . 1 1 95 95 LYS HA H 95 4.430 4.430 4.165 0.265 17767 4691 1 7 . 1 1 95 95 LYS C C 95 175.980 175.980 174.905 1.075 17767 4692 1 7 . 1 1 95 95 LYS CA C 95 56.180 56.180 55.897 0.283 17767 4693 1 7 . 1 1 95 95 LYS CB C 95 35.220 35.220 32.915 2.305 17767 4694 1 7 . 1 1 95 95 LYS H H 95 8.300 8.300 7.904 0.396 17767 4695 1 7 . 1 1 96 96 PHE N N 96 113.270 113.270 117.900 -4.630 17767 4696 1 7 . 1 1 96 96 PHE HA H 96 5.860 5.860 4.669 1.191 17767 4697 1 7 . 1 1 96 96 PHE C C 96 173.900 173.900 174.074 -0.174 17767 4698 1 7 . 1 1 96 96 PHE CA C 96 55.890 55.890 55.632 0.258 17767 4699 1 7 . 1 1 96 96 PHE CB C 96 43.560 43.560 41.597 1.963 17767 4700 1 7 . 1 1 96 96 PHE H H 96 7.000 7.000 7.402 -0.402 17767 4701 1 7 . 1 1 97 97 SER N N 97 112.050 112.050 112.294 -0.244 17767 4702 1 7 . 1 1 97 97 SER HA H 97 5.220 5.220 4.756 0.464 17767 4703 1 7 . 1 1 97 97 SER C C 97 172.560 172.560 172.646 -0.086 17767 4704 1 7 . 1 1 97 97 SER CA C 97 57.870 57.870 58.285 -0.415 17767 4705 1 7 . 1 1 97 97 SER CB C 97 65.990 65.990 65.677 0.313 17767 4706 1 7 . 1 1 97 97 SER H H 97 8.790 8.790 8.577 0.213 17767 4707 1 7 . 1 1 98 98 HIS N N 98 126.300 126.300 123.602 2.698 17767 4708 1 7 . 1 1 98 98 HIS HA H 98 5.190 5.190 5.119 0.071 17767 4709 1 7 . 1 1 98 98 HIS C C 98 174.500 174.500 173.279 1.221 17767 4710 1 7 . 1 1 98 98 HIS CA C 98 56.260 56.260 54.608 1.652 17767 4711 1 7 . 1 1 98 98 HIS CB C 98 36.270 36.270 32.890 3.380 17767 4712 1 7 . 1 1 98 98 HIS H H 98 9.190 9.190 9.326 -0.136 17767 4713 1 7 . 1 1 99 99 GLU N N 99 126.670 126.670 128.194 -1.524 17767 4714 1 7 . 1 1 99 99 GLU HA H 99 5.390 5.390 4.916 0.474 17767 4715 1 7 . 1 1 99 99 GLU C C 99 175.400 175.400 174.893 0.507 17767 4716 1 7 . 1 1 99 99 GLU CA C 99 55.000 55.000 54.723 0.277 17767 4717 1 7 . 1 1 99 99 GLU CB C 99 34.000 34.000 33.177 0.823 17767 4718 1 7 . 1 1 99 99 GLU H H 99 8.350 8.350 8.965 -0.615 17767 4719 1 7 . 1 1 101 101 GLU N N 101 125.500 125.500 125.138 0.362 17767 4720 1 7 . 1 1 101 101 GLU HA H 101 5.160 5.160 4.751 0.409 17767 4721 1 7 . 1 1 101 101 GLU CA C 101 54.090 54.090 54.559 -0.469 17767 4722 1 7 . 1 1 101 101 GLU CB C 101 34.800 34.800 32.737 2.063 17767 4723 1 7 . 1 1 101 101 GLU H H 101 8.900 8.900 8.301 0.599 17767 4724 1 7 . 1 1 102 102 VAL N N 102 124.420 124.420 126.820 -2.400 17767 4725 1 7 . 1 1 102 102 VAL HA H 102 4.630 4.630 4.211 0.419 17767 4726 1 7 . 1 1 102 102 VAL C C 102 175.200 175.200 175.211 -0.011 17767 4727 1 7 . 1 1 102 102 VAL CA C 102 61.380 61.380 61.534 -0.154 17767 4728 1 7 . 1 1 102 102 VAL CB C 102 34.100 34.100 32.143 1.957 17767 4729 1 7 . 1 1 102 102 VAL H H 102 8.790 8.790 8.576 0.214 17767 4730 1 7 . 1 1 103 103 LYS N N 103 129.480 129.480 128.760 0.720 17767 4731 1 7 . 1 1 103 103 LYS HA H 103 4.570 4.570 4.581 -0.011 17767 4732 1 7 . 1 1 103 103 LYS C C 103 176.500 176.500 176.701 -0.201 17767 4733 1 7 . 1 1 103 103 LYS CA C 103 55.340 55.340 55.221 0.119 17767 4734 1 7 . 1 1 103 103 LYS CB C 103 33.760 33.760 34.607 -0.847 17767 4735 1 7 . 1 1 103 103 LYS H H 103 8.950 8.950 8.950 -0.000 17767 4736 1 7 . 1 1 104 104 GLY N N 104 116.700 116.700 117.024 -0.324 17767 4737 1 7 . 1 1 104 104 GLY C C 104 174.500 174.500 174.841 -0.341 17767 4738 1 7 . 1 1 104 104 GLY CA C 104 47.680 47.680 47.196 0.484 17767 4739 1 7 . 1 1 104 104 GLY H H 104 9.140 9.140 8.909 0.231 17767 4740 1 7 . 1 1 105 105 ASN N N 105 125.540 125.540 124.338 1.202 17767 4741 1 7 . 1 1 105 105 ASN HA H 105 5.000 5.000 4.998 0.002 17767 4742 1 7 . 1 1 105 105 ASN CA C 105 53.130 53.130 52.801 0.329 17767 4743 1 7 . 1 1 105 105 ASN CB C 105 39.060 39.060 40.164 -1.104 17767 4744 1 7 . 1 1 105 105 ASN H H 105 9.030 9.030 8.438 0.592 17767 4745 1 7 . 1 1 106 106 GLU N N 106 120.480 120.480 119.842 0.638 17767 4746 1 7 . 1 1 106 106 GLU HA H 106 5.550 5.550 5.266 0.284 17767 4747 1 7 . 1 1 106 106 GLU CA C 106 55.550 55.550 55.128 0.422 17767 4748 1 7 . 1 1 106 106 GLU CB C 106 33.160 33.160 34.117 -0.957 17767 4749 1 7 . 1 1 106 106 GLU H H 106 8.100 8.100 8.150 -0.050 17767 4750 1 7 . 1 1 107 107 MET N N 107 124.080 124.080 124.195 -0.115 17767 4751 1 7 . 1 1 107 107 MET HA H 107 5.120 5.120 5.113 0.007 17767 4752 1 7 . 1 1 107 107 MET CA C 107 53.700 53.700 54.427 -0.727 17767 4753 1 7 . 1 1 107 107 MET CB C 107 36.800 36.800 35.170 1.630 17767 4754 1 7 . 1 1 107 107 MET H H 107 8.930 8.930 9.331 -0.401 17767 4755 1 7 . 1 1 108 108 VAL N N 108 126.820 126.820 127.426 -0.606 17767 4756 1 7 . 1 1 108 108 VAL HA H 108 5.250 5.250 4.368 0.882 17767 4757 1 7 . 1 1 108 108 VAL CA C 108 61.340 61.340 61.398 -0.058 17767 4758 1 7 . 1 1 108 108 VAL CB C 108 34.900 34.900 31.093 3.807 17767 4759 1 7 . 1 1 108 108 VAL H H 108 9.017 9.017 8.407 0.610 17767 4760 1 7 . 1 1 109 109 GLU N N 109 128.300 128.300 128.459 -0.159 17767 4761 1 7 . 1 1 109 109 GLU HA H 109 5.040 5.040 5.043 -0.003 17767 4762 1 7 . 1 1 109 109 GLU C C 109 174.410 174.410 175.358 -0.948 17767 4763 1 7 . 1 1 109 109 GLU CA C 109 54.440 54.440 54.383 0.057 17767 4764 1 7 . 1 1 109 109 GLU CB C 109 34.760 34.760 33.189 1.571 17767 4765 1 7 . 1 1 109 109 GLU H H 109 9.100 9.100 8.911 0.189 17767 4766 1 7 . 1 1 110 110 THR N N 110 120.760 120.760 119.825 0.935 17767 4767 1 7 . 1 1 110 110 THR HA H 110 4.850 4.850 4.738 0.112 17767 4768 1 7 . 1 1 110 110 THR C C 110 174.900 174.900 173.468 1.432 17767 4769 1 7 . 1 1 110 110 THR CA C 110 61.980 61.980 61.468 0.512 17767 4770 1 7 . 1 1 110 110 THR CB C 110 69.520 69.520 69.800 -0.280 17767 4771 1 7 . 1 1 110 110 THR H H 110 8.876 8.876 8.759 0.117 17767 4772 1 7 . 1 1 111 111 ILE N N 111 131.030 131.030 126.493 4.537 17767 4773 1 7 . 1 1 111 111 ILE HA H 111 5.240 5.240 4.617 0.623 17767 4774 1 7 . 1 1 111 111 ILE C C 111 174.600 174.600 174.598 0.002 17767 4775 1 7 . 1 1 111 111 ILE CA C 111 60.310 60.310 59.255 1.055 17767 4776 1 7 . 1 1 111 111 ILE CB C 111 41.220 41.220 41.014 0.206 17767 4777 1 7 . 1 1 111 111 ILE H H 111 9.490 9.490 8.806 0.684 17767 4778 1 7 . 1 1 112 112 THR N N 112 122.800 122.800 118.290 4.510 17767 4779 1 7 . 1 1 112 112 THR HA H 112 5.960 5.960 5.011 0.949 17767 4780 1 7 . 1 1 112 112 THR C C 112 174.370 174.370 173.158 1.212 17767 4781 1 7 . 1 1 112 112 THR CA C 112 61.180 61.180 61.528 -0.348 17767 4782 1 7 . 1 1 112 112 THR CB C 112 71.250 71.250 70.504 0.746 17767 4783 1 7 . 1 1 112 112 THR H H 112 9.490 9.490 8.163 1.327 17767 4784 1 7 . 1 1 113 113 PHE N N 113 124.980 124.980 123.853 1.127 17767 4785 1 7 . 1 1 113 113 PHE HA H 113 4.820 4.820 4.508 0.312 17767 4786 1 7 . 1 1 113 113 PHE C C 113 175.700 175.700 175.721 -0.021 17767 4787 1 7 . 1 1 113 113 PHE CA C 113 58.800 58.800 57.886 0.914 17767 4788 1 7 . 1 1 113 113 PHE CB C 113 43.480 43.480 42.922 0.558 17767 4789 1 7 . 1 1 113 113 PHE H H 113 9.000 9.000 8.267 0.733 17767 4790 1 7 . 1 1 114 114 GLY N N 114 116.550 116.550 110.403 6.147 17767 4791 1 7 . 1 1 114 114 GLY C C 114 175.300 175.300 174.689 0.611 17767 4792 1 7 . 1 1 114 114 GLY CA C 114 46.840 46.840 45.941 0.898 17767 4793 1 7 . 1 1 114 114 GLY H H 114 8.410 8.410 9.006 -0.596 17767 4794 1 7 . 1 1 115 115 GLY N N 115 105.640 105.640 106.515 -0.875 17767 4795 1 7 . 1 1 115 115 GLY C C 115 174.200 174.200 173.855 0.345 17767 4796 1 7 . 1 1 115 115 GLY CA C 115 44.890 44.890 44.919 -0.029 17767 4797 1 7 . 1 1 115 115 GLY H H 115 8.560 8.560 8.155 0.405 17767 4798 1 7 . 1 1 116 116 VAL N N 116 123.600 123.600 121.480 2.120 17767 4799 1 7 . 1 1 116 116 VAL HA H 116 4.310 4.310 4.333 -0.023 17767 4800 1 7 . 1 1 116 116 VAL C C 116 174.640 174.640 175.061 -0.421 17767 4801 1 7 . 1 1 116 116 VAL CA C 116 62.250 62.250 60.431 1.819 17767 4802 1 7 . 1 1 116 116 VAL CB C 116 34.170 34.170 33.603 0.567 17767 4803 1 7 . 1 1 116 116 VAL H H 116 8.164 8.164 7.849 0.315 17767 4804 1 7 . 1 1 117 117 THR N N 117 123.270 123.270 123.212 0.058 17767 4805 1 7 . 1 1 117 117 THR HA H 117 5.250 5.250 4.473 0.777 17767 4806 1 7 . 1 1 117 117 THR C C 117 173.800 173.800 173.482 0.318 17767 4807 1 7 . 1 1 117 117 THR CA C 117 61.900 61.900 62.013 -0.113 17767 4808 1 7 . 1 1 117 117 THR CB C 117 70.450 70.450 68.293 2.157 17767 4809 1 7 . 1 1 117 117 THR H H 117 8.770 8.770 8.499 0.271 17767 4810 1 7 . 1 1 118 118 LEU N N 118 132.800 132.800 129.502 3.298 17767 4811 1 7 . 1 1 118 118 LEU HA H 118 4.880 4.880 4.516 0.364 17767 4812 1 7 . 1 1 118 118 LEU C C 118 175.200 175.200 174.347 0.853 17767 4813 1 7 . 1 1 118 118 LEU CA C 118 53.570 53.570 53.484 0.086 17767 4814 1 7 . 1 1 118 118 LEU CB C 118 44.730 44.730 43.204 1.526 17767 4815 1 7 . 1 1 118 118 LEU H H 118 9.700 9.700 7.903 1.797 17767 4816 1 7 . 1 1 119 119 ILE N N 119 124.980 124.980 127.535 -2.555 17767 4817 1 7 . 1 1 119 119 ILE HA H 119 5.240 5.240 4.482 0.758 17767 4818 1 7 . 1 1 119 119 ILE C C 119 175.900 175.900 175.754 0.146 17767 4819 1 7 . 1 1 119 119 ILE CA C 119 59.340 59.340 60.751 -1.411 17767 4820 1 7 . 1 1 119 119 ILE CB C 119 39.550 39.550 38.485 1.065 17767 4821 1 7 . 1 1 119 119 ILE H H 119 7.800 7.800 8.395 -0.595 17767 4822 1 7 . 1 1 120 120 ARG N N 120 126.110 126.110 126.619 -0.509 17767 4823 1 7 . 1 1 120 120 ARG HA H 120 5.040 5.040 4.736 0.304 17767 4824 1 7 . 1 1 120 120 ARG C C 120 175.300 175.300 174.499 0.801 17767 4825 1 7 . 1 1 120 120 ARG CA C 120 54.990 54.990 54.467 0.523 17767 4826 1 7 . 1 1 120 120 ARG CB C 120 34.760 34.760 34.404 0.356 17767 4827 1 7 . 1 1 120 120 ARG H H 120 9.400 9.400 9.180 0.220 17767 4828 1 7 . 1 1 121 121 ARG N N 121 126.600 126.600 121.120 5.480 17767 4829 1 7 . 1 1 121 121 ARG HA H 121 5.350 5.350 4.544 0.806 17767 4830 1 7 . 1 1 121 121 ARG C C 121 175.020 175.020 174.339 0.681 17767 4831 1 7 . 1 1 121 121 ARG CA C 121 55.250 55.250 55.223 0.027 17767 4832 1 7 . 1 1 121 121 ARG CB C 121 31.830 31.830 33.247 -1.417 17767 4833 1 7 . 1 1 121 121 ARG H H 121 9.110 9.110 8.350 0.760 17767 4834 1 7 . 1 1 122 122 SER N N 122 118.200 118.200 119.846 -1.646 17767 4835 1 7 . 1 1 122 122 SER HA H 122 5.730 5.730 5.598 0.132 17767 4836 1 7 . 1 1 122 122 SER C C 122 173.010 173.010 173.468 -0.458 17767 4837 1 7 . 1 1 122 122 SER CA C 122 58.100 58.100 56.969 1.131 17767 4838 1 7 . 1 1 122 122 SER CB C 122 66.850 66.850 65.591 1.259 17767 4839 1 7 . 1 1 122 122 SER H H 122 9.290 9.290 8.819 0.471 17767 4840 1 7 . 1 1 123 123 LYS N N 123 120.480 120.480 123.323 -2.843 17767 4841 1 7 . 1 1 123 123 LYS HA H 123 5.780 5.780 5.278 0.502 17767 4842 1 7 . 1 1 123 123 LYS C C 123 175.600 175.600 176.226 -0.626 17767 4843 1 7 . 1 1 123 123 LYS CA C 123 54.130 54.130 54.691 -0.561 17767 4844 1 7 . 1 1 123 123 LYS CB C 123 36.330 36.330 35.306 1.024 17767 4845 1 7 . 1 1 123 123 LYS H H 123 8.650 8.650 9.304 -0.654 17767 4846 1 7 . 1 1 124 124 ARG N N 124 124.980 124.980 125.087 -0.107 17767 4847 1 7 . 1 1 124 124 ARG HA H 124 3.940 3.940 4.738 -0.798 17767 4848 1 7 . 1 1 124 124 ARG C C 124 176.500 176.500 175.682 0.818 17767 4849 1 7 . 1 1 124 124 ARG CA C 124 56.900 56.900 57.459 -0.559 17767 4850 1 7 . 1 1 124 124 ARG CB C 124 30.380 30.380 30.933 -0.553 17767 4851 1 7 . 1 1 124 124 ARG H H 124 8.200 8.200 8.896 -0.696 17767 4852 1 8 . 1 1 2 2 PHE HA H 2 4.460 4.460 4.629 -0.169 17767 4853 1 8 . 1 1 2 2 PHE C C 2 175.900 175.900 176.502 -0.602 17767 4854 1 8 . 1 1 2 2 PHE CA C 2 61.170 61.170 60.010 1.160 17767 4855 1 8 . 1 1 2 2 PHE CB C 2 40.690 40.690 39.800 0.890 17767 4856 1 8 . 1 1 3 3 SER N N 3 111.380 111.380 115.154 -3.774 17767 4857 1 8 . 1 1 3 3 SER HA H 3 4.420 4.420 4.638 -0.218 17767 4858 1 8 . 1 1 3 3 SER C C 3 174.700 174.700 174.758 -0.058 17767 4859 1 8 . 1 1 3 3 SER CA C 3 60.000 60.000 59.263 0.737 17767 4860 1 8 . 1 1 3 3 SER CB C 3 64.140 64.140 61.956 2.184 17767 4861 1 8 . 1 1 3 3 SER H H 3 7.968 7.968 7.950 0.018 17767 4862 1 8 . 1 1 4 4 GLY N N 4 111.480 111.480 110.561 0.919 17767 4863 1 8 . 1 1 4 4 GLY C C 4 171.800 171.800 171.296 0.504 17767 4864 1 8 . 1 1 4 4 GLY CA C 4 44.150 44.150 45.286 -1.136 17767 4865 1 8 . 1 1 4 4 GLY H H 4 9.080 9.080 7.973 1.107 17767 4866 1 8 . 1 1 5 5 THR N N 5 117.770 117.770 112.025 5.745 17767 4867 1 8 . 1 1 5 5 THR HA H 5 4.980 4.980 4.698 0.282 17767 4868 1 8 . 1 1 5 5 THR C C 5 173.190 173.190 173.090 0.100 17767 4869 1 8 . 1 1 5 5 THR CA C 5 62.930 62.930 60.570 2.360 17767 4870 1 8 . 1 1 5 5 THR CB C 5 69.310 69.310 69.865 -0.555 17767 4871 1 8 . 1 1 5 5 THR H H 5 8.270 8.270 7.683 0.587 17767 4872 1 8 . 1 1 6 6 TRP N N 6 127.500 127.500 126.549 0.951 17767 4873 1 8 . 1 1 6 6 TRP HA H 6 5.130 5.130 5.407 -0.277 17767 4874 1 8 . 1 1 6 6 TRP CA C 6 55.300 55.300 55.447 -0.147 17767 4875 1 8 . 1 1 6 6 TRP CB C 6 32.290 32.290 31.177 1.113 17767 4876 1 8 . 1 1 6 6 TRP H H 6 9.560 9.560 8.739 0.821 17767 4877 1 8 . 1 1 7 7 GLN HA H 7 4.970 4.970 4.759 0.211 17767 4878 1 8 . 1 1 7 7 GLN C C 7 175.900 175.900 175.558 0.342 17767 4879 1 8 . 1 1 7 7 GLN CA C 7 54.720 54.720 54.798 -0.078 17767 4880 1 8 . 1 1 7 7 GLN CB C 7 32.400 32.400 30.423 1.977 17767 4881 1 8 . 1 1 8 8 VAL N N 8 131.400 131.400 128.896 2.504 17767 4882 1 8 . 1 1 8 8 VAL HA H 8 4.450 4.450 4.599 -0.149 17767 4883 1 8 . 1 1 8 8 VAL CA C 8 63.500 63.500 63.134 0.366 17767 4884 1 8 . 1 1 8 8 VAL CB C 8 32.300 32.300 32.632 -0.332 17767 4885 1 8 . 1 1 8 8 VAL H H 8 8.270 8.270 8.197 0.073 17767 4886 1 8 . 1 1 9 9 TYR N N 9 123.300 123.300 122.683 0.617 17767 4887 1 8 . 1 1 9 9 TYR HA H 9 5.140 5.140 4.829 0.311 17767 4888 1 8 . 1 1 9 9 TYR C C 9 174.600 174.600 173.434 1.166 17767 4889 1 8 . 1 1 9 9 TYR CA C 9 56.600 56.600 56.525 0.075 17767 4890 1 8 . 1 1 9 9 TYR CB C 9 40.880 40.880 40.123 0.757 17767 4891 1 8 . 1 1 9 9 TYR H H 9 9.570 9.570 8.922 0.648 17767 4892 1 8 . 1 1 10 10 ALA N N 10 125.800 125.800 130.144 -4.344 17767 4893 1 8 . 1 1 10 10 ALA HA H 10 4.680 4.680 4.441 0.239 17767 4894 1 8 . 1 1 10 10 ALA C C 10 175.200 175.200 175.785 -0.585 17767 4895 1 8 . 1 1 10 10 ALA CA C 10 51.780 51.780 51.743 0.036 17767 4896 1 8 . 1 1 10 10 ALA CB C 10 22.070 22.070 21.118 0.952 17767 4897 1 8 . 1 1 10 10 ALA H H 10 7.330 7.330 8.193 -0.863 17767 4898 1 8 . 1 1 11 11 GLN N N 11 118.300 118.300 119.901 -1.601 17767 4899 1 8 . 1 1 11 11 GLN HA H 11 5.370 5.370 4.655 0.715 17767 4900 1 8 . 1 1 11 11 GLN C C 11 174.700 174.700 174.336 0.364 17767 4901 1 8 . 1 1 11 11 GLN CA C 11 54.460 54.460 55.070 -0.610 17767 4902 1 8 . 1 1 11 11 GLN CB C 11 32.870 32.870 28.976 3.894 17767 4903 1 8 . 1 1 11 11 GLN H H 11 8.700 8.700 8.520 0.180 17767 4904 1 8 . 1 1 12 12 GLU N N 12 123.800 123.800 122.570 1.230 17767 4905 1 8 . 1 1 12 12 GLU HA H 12 4.600 4.600 4.635 -0.035 17767 4906 1 8 . 1 1 12 12 GLU C C 12 175.700 175.700 175.940 -0.240 17767 4907 1 8 . 1 1 12 12 GLU CA C 12 55.300 55.300 55.036 0.264 17767 4908 1 8 . 1 1 12 12 GLU CB C 12 31.760 31.760 30.490 1.270 17767 4909 1 8 . 1 1 12 12 GLU H H 12 9.130 9.130 8.533 0.597 17767 4910 1 8 . 1 1 13 13 ASN N N 13 117.550 117.550 120.701 -3.151 17767 4911 1 8 . 1 1 13 13 ASN HA H 13 4.790 4.790 4.945 -0.155 17767 4912 1 8 . 1 1 13 13 ASN C C 13 175.600 175.600 175.106 0.494 17767 4913 1 8 . 1 1 13 13 ASN CA C 13 54.100 54.100 52.919 1.181 17767 4914 1 8 . 1 1 13 13 ASN CB C 13 37.100 37.100 37.048 0.052 17767 4915 1 8 . 1 1 13 13 ASN H H 13 9.130 9.130 8.815 0.315 17767 4916 1 8 . 1 1 14 14 TYR N N 14 118.280 118.280 123.843 -5.563 17767 4917 1 8 . 1 1 14 14 TYR HA H 14 4.360 4.360 4.170 0.190 17767 4918 1 8 . 1 1 14 14 TYR C C 14 176.500 176.500 176.557 -0.057 17767 4919 1 8 . 1 1 14 14 TYR CA C 14 60.590 60.590 62.786 -2.196 17767 4920 1 8 . 1 1 14 14 TYR CB C 14 39.450 39.450 39.042 0.408 17767 4921 1 8 . 1 1 14 14 TYR H H 14 7.900 7.900 8.481 -0.581 17767 4922 1 8 . 1 1 15 15 GLU N N 15 118.600 118.600 118.347 0.253 17767 4923 1 8 . 1 1 15 15 GLU HA H 15 3.550 3.550 4.057 -0.507 17767 4924 1 8 . 1 1 15 15 GLU C C 15 178.500 178.500 178.545 -0.045 17767 4925 1 8 . 1 1 15 15 GLU CA C 15 61.170 61.170 59.704 1.466 17767 4926 1 8 . 1 1 15 15 GLU CB C 15 28.700 28.700 28.809 -0.109 17767 4927 1 8 . 1 1 15 15 GLU H H 15 8.960 8.960 9.200 -0.240 17767 4928 1 8 . 1 1 16 16 GLU N N 16 118.800 118.800 119.196 -0.396 17767 4929 1 8 . 1 1 16 16 GLU HA H 16 3.880 3.880 4.095 -0.215 17767 4930 1 8 . 1 1 16 16 GLU C C 16 178.600 178.600 178.545 0.055 17767 4931 1 8 . 1 1 16 16 GLU CA C 16 60.300 60.300 58.541 1.759 17767 4932 1 8 . 1 1 16 16 GLU CB C 16 28.600 28.600 29.272 -0.672 17767 4933 1 8 . 1 1 16 16 GLU H H 16 9.090 9.090 8.494 0.596 17767 4934 1 8 . 1 1 17 17 PHE N N 17 124.200 124.200 120.953 3.247 17767 4935 1 8 . 1 1 17 17 PHE HA H 17 3.960 3.960 4.216 -0.256 17767 4936 1 8 . 1 1 17 17 PHE C C 17 176.400 176.400 176.717 -0.317 17767 4937 1 8 . 1 1 17 17 PHE CA C 17 62.350 62.350 59.513 2.837 17767 4938 1 8 . 1 1 17 17 PHE CB C 17 40.380 40.380 38.876 1.504 17767 4939 1 8 . 1 1 17 17 PHE H H 17 8.410 8.410 7.620 0.790 17767 4940 1 8 . 1 1 18 18 LEU N N 18 116.400 116.400 118.421 -2.021 17767 4941 1 8 . 1 1 18 18 LEU HA H 18 3.780 3.780 3.424 0.356 17767 4942 1 8 . 1 1 18 18 LEU C C 18 178.800 178.800 178.763 0.037 17767 4943 1 8 . 1 1 18 18 LEU CA C 18 58.240 58.240 57.733 0.507 17767 4944 1 8 . 1 1 18 18 LEU CB C 18 41.220 41.220 41.096 0.124 17767 4945 1 8 . 1 1 18 18 LEU H H 18 8.200 8.200 7.740 0.460 17767 4946 1 8 . 1 1 19 19 LYS N N 19 116.590 116.590 116.844 -0.254 17767 4947 1 8 . 1 1 19 19 LYS HA H 19 4.040 4.040 4.077 -0.037 17767 4948 1 8 . 1 1 19 19 LYS C C 19 179.800 179.800 179.100 0.700 17767 4949 1 8 . 1 1 19 19 LYS CA C 19 58.820 58.820 58.873 -0.053 17767 4950 1 8 . 1 1 19 19 LYS CB C 19 32.150 32.150 31.928 0.222 17767 4951 1 8 . 1 1 19 19 LYS H H 19 7.790 7.790 7.606 0.184 17767 4952 1 8 . 1 1 20 20 ALA N N 20 126.110 126.110 120.772 5.338 17767 4953 1 8 . 1 1 20 20 ALA HA H 20 4.160 4.160 4.238 -0.078 17767 4954 1 8 . 1 1 20 20 ALA C C 20 178.600 178.600 178.084 0.516 17767 4955 1 8 . 1 1 20 20 ALA CA C 20 55.300 55.300 53.734 1.566 17767 4956 1 8 . 1 1 20 20 ALA CB C 20 17.700 17.700 18.825 -1.125 17767 4957 1 8 . 1 1 20 20 ALA H H 20 7.990 7.990 7.590 0.400 17767 4958 1 8 . 1 1 21 21 LEU N N 21 117.110 117.110 116.449 0.661 17767 4959 1 8 . 1 1 21 21 LEU HA H 21 3.688 3.688 4.256 -0.568 17767 4960 1 8 . 1 1 21 21 LEU C C 21 176.100 176.100 175.958 0.142 17767 4961 1 8 . 1 1 21 21 LEU CA C 21 55.400 55.400 53.785 1.615 17767 4962 1 8 . 1 1 21 21 LEU CB C 21 42.700 42.700 41.300 1.400 17767 4963 1 8 . 1 1 21 21 LEU H H 21 7.380 7.380 7.016 0.364 17767 4964 1 8 . 1 1 22 22 ALA N N 22 118.800 118.800 119.051 -0.251 17767 4965 1 8 . 1 1 22 22 ALA HA H 22 3.985 3.985 3.941 0.044 17767 4966 1 8 . 1 1 22 22 ALA C C 22 177.000 177.000 176.828 0.172 17767 4967 1 8 . 1 1 22 22 ALA CA C 22 52.370 52.370 52.659 -0.289 17767 4968 1 8 . 1 1 22 22 ALA CB C 22 15.960 15.960 16.762 -0.802 17767 4969 1 8 . 1 1 22 22 ALA H H 22 7.920 7.920 7.275 0.645 17767 4970 1 8 . 1 1 23 23 LEU N N 23 118.470 118.470 119.250 -0.780 17767 4971 1 8 . 1 1 23 23 LEU HA H 23 4.425 4.425 4.428 -0.003 17767 4972 1 8 . 1 1 23 23 LEU C C 23 174.500 174.500 174.933 -0.433 17767 4973 1 8 . 1 1 23 23 LEU CA C 23 54.130 54.130 52.658 1.472 17767 4974 1 8 . 1 1 23 23 LEU CB C 23 41.220 41.220 41.976 -0.756 17767 4975 1 8 . 1 1 23 23 LEU H H 23 6.950 6.950 7.476 -0.526 17767 4976 1 8 . 1 1 24 24 PRO HA H 24 4.475 4.475 4.580 -0.105 17767 4977 1 8 . 1 1 24 24 PRO C C 24 177.500 177.500 177.303 0.197 17767 4978 1 8 . 1 1 24 24 PRO CA C 24 62.940 62.940 62.164 0.776 17767 4979 1 8 . 1 1 24 24 PRO CB C 24 32.600 32.600 32.635 -0.035 17767 4980 1 8 . 1 1 25 25 GLU N N 25 122.500 122.500 124.261 -1.761 17767 4981 1 8 . 1 1 25 25 GLU HA H 25 3.860 3.860 3.846 0.014 17767 4982 1 8 . 1 1 25 25 GLU C C 25 177.900 177.900 177.743 0.157 17767 4983 1 8 . 1 1 25 25 GLU CA C 25 60.100 60.100 60.151 -0.051 17767 4984 1 8 . 1 1 25 25 GLU CB C 25 29.690 29.690 29.231 0.459 17767 4985 1 8 . 1 1 25 25 GLU H H 25 8.840 8.840 8.987 -0.147 17767 4986 1 8 . 1 1 26 26 ASP N N 26 117.110 117.110 116.577 0.533 17767 4987 1 8 . 1 1 26 26 ASP HA H 26 4.360 4.360 4.360 -0.000 17767 4988 1 8 . 1 1 26 26 ASP C C 26 177.900 177.900 178.369 -0.469 17767 4989 1 8 . 1 1 26 26 ASP CA C 26 57.080 57.080 56.717 0.363 17767 4990 1 8 . 1 1 26 26 ASP CB C 26 40.040 40.040 39.981 0.059 17767 4991 1 8 . 1 1 26 26 ASP H H 26 8.920 8.920 8.746 0.174 17767 4992 1 8 . 1 1 27 27 LEU N N 27 121.990 121.990 120.762 1.228 17767 4993 1 8 . 1 1 27 27 LEU HA H 27 4.270 4.270 4.199 0.071 17767 4994 1 8 . 1 1 27 27 LEU C C 27 178.070 178.070 178.513 -0.443 17767 4995 1 8 . 1 1 27 27 LEU CA C 27 57.650 57.650 57.025 0.625 17767 4996 1 8 . 1 1 27 27 LEU CB C 27 42.230 42.230 42.385 -0.155 17767 4997 1 8 . 1 1 27 27 LEU H H 27 7.220 7.220 7.387 -0.167 17767 4998 1 8 . 1 1 28 28 ILE N N 28 120.350 120.350 119.888 0.462 17767 4999 1 8 . 1 1 28 28 ILE HA H 28 3.317 3.317 3.609 -0.292 17767 5000 1 8 . 1 1 28 28 ILE C C 28 177.400 177.400 178.244 -0.844 17767 5001 1 8 . 1 1 28 28 ILE CA C 28 67.040 67.040 65.554 1.486 17767 5002 1 8 . 1 1 28 28 ILE CB C 28 37.110 37.110 37.466 -0.356 17767 5003 1 8 . 1 1 28 28 ILE H H 28 7.900 7.900 8.430 -0.530 17767 5004 1 8 . 1 1 29 29 LYS N N 29 117.110 117.110 118.036 -0.926 17767 5005 1 8 . 1 1 29 29 LYS HA H 29 3.947 3.947 4.154 -0.207 17767 5006 1 8 . 1 1 29 29 LYS C C 29 178.900 178.900 177.319 1.581 17767 5007 1 8 . 1 1 29 29 LYS CA C 29 60.000 60.000 58.760 1.240 17767 5008 1 8 . 1 1 29 29 LYS CB C 29 32.390 32.390 32.360 0.030 17767 5009 1 8 . 1 1 29 29 LYS H H 29 7.850 7.850 7.707 0.143 17767 5010 1 8 . 1 1 30 30 MET N N 30 117.110 117.110 117.976 -0.866 17767 5011 1 8 . 1 1 30 30 MET HA H 30 4.320 4.320 4.441 -0.121 17767 5012 1 8 . 1 1 30 30 MET C C 30 177.500 177.500 178.093 -0.593 17767 5013 1 8 . 1 1 30 30 MET CA C 30 57.650 57.650 57.999 -0.349 17767 5014 1 8 . 1 1 30 30 MET CB C 30 32.970 32.970 33.623 -0.653 17767 5015 1 8 . 1 1 30 30 MET H H 30 7.450 7.450 7.574 -0.124 17767 5016 1 8 . 1 1 31 31 ALA N N 31 120.480 120.480 121.926 -1.446 17767 5017 1 8 . 1 1 31 31 ALA HA H 31 4.270 4.270 4.038 0.232 17767 5018 1 8 . 1 1 31 31 ALA CA C 31 53.545 53.545 55.184 -1.639 17767 5019 1 8 . 1 1 31 31 ALA CB C 31 19.290 19.290 18.583 0.707 17767 5020 1 8 . 1 1 31 31 ALA H H 31 8.420 8.420 8.719 -0.299 17767 5021 1 8 . 1 1 32 32 ARG N N 32 122.170 122.170 115.274 6.896 17767 5022 1 8 . 1 1 32 32 ARG HA H 32 4.109 4.109 3.759 0.350 17767 5023 1 8 . 1 1 32 32 ARG C C 32 176.500 176.500 177.081 -0.581 17767 5024 1 8 . 1 1 32 32 ARG CA C 32 61.170 61.170 58.360 2.810 17767 5025 1 8 . 1 1 32 32 ARG CB C 32 30.600 30.600 29.977 0.622 17767 5026 1 8 . 1 1 32 32 ARG H H 32 7.770 7.770 7.540 0.230 17767 5027 1 8 . 1 1 33 33 ASP N N 33 116.550 116.550 118.269 -1.719 17767 5028 1 8 . 1 1 33 33 ASP HA H 33 4.920 4.920 4.680 0.240 17767 5029 1 8 . 1 1 33 33 ASP C C 33 175.900 175.900 176.079 -0.179 17767 5030 1 8 . 1 1 33 33 ASP CA C 33 54.130 54.130 54.020 0.110 17767 5031 1 8 . 1 1 33 33 ASP CB C 33 41.760 41.760 42.960 -1.200 17767 5032 1 8 . 1 1 33 33 ASP H H 33 8.330 8.330 7.920 0.410 17767 5033 1 8 . 1 1 34 34 ILE N N 34 120.060 120.060 122.614 -2.554 17767 5034 1 8 . 1 1 34 34 ILE HA H 34 4.120 4.120 3.887 0.233 17767 5035 1 8 . 1 1 34 34 ILE C C 34 176.100 176.100 174.797 1.303 17767 5036 1 8 . 1 1 34 34 ILE CA C 34 61.170 61.170 62.365 -1.195 17767 5037 1 8 . 1 1 34 34 ILE CB C 34 37.860 37.860 36.780 1.080 17767 5038 1 8 . 1 1 34 34 ILE H H 34 7.240 7.240 7.778 -0.538 17767 5039 1 8 . 1 1 35 35 LYS N N 35 131.170 131.170 127.726 3.444 17767 5040 1 8 . 1 1 35 35 LYS HA H 35 4.700 4.700 4.785 -0.085 17767 5041 1 8 . 1 1 35 35 LYS C C 35 173.700 173.700 174.642 -0.942 17767 5042 1 8 . 1 1 35 35 LYS CA C 35 52.970 52.970 54.329 -1.359 17767 5043 1 8 . 1 1 35 35 LYS CB C 35 32.750 32.750 32.428 0.322 17767 5044 1 8 . 1 1 35 35 LYS H H 35 8.980 8.980 8.007 0.973 17767 5045 1 8 . 1 1 36 36 PRO HA H 36 4.510 4.510 4.733 -0.223 17767 5046 1 8 . 1 1 36 36 PRO CA C 36 63.523 63.523 61.685 1.838 17767 5047 1 8 . 1 1 36 36 PRO CB C 36 32.840 32.840 32.810 0.030 17767 5048 1 8 . 1 1 37 37 ILE HA H 37 4.920 4.920 4.376 0.544 17767 5049 1 8 . 1 1 37 37 ILE C C 37 175.500 175.500 175.142 0.358 17767 5050 1 8 . 1 1 37 37 ILE CA C 37 60.588 60.588 59.341 1.247 17767 5051 1 8 . 1 1 37 37 ILE CB C 37 40.630 40.630 40.737 -0.107 17767 5052 1 8 . 1 1 38 38 VAL N N 38 129.000 129.000 129.333 -0.333 17767 5053 1 8 . 1 1 38 38 VAL HA H 38 5.120 5.120 4.288 0.832 17767 5054 1 8 . 1 1 38 38 VAL C C 38 175.100 175.100 175.126 -0.026 17767 5055 1 8 . 1 1 38 38 VAL CA C 38 61.176 61.176 61.425 -0.249 17767 5056 1 8 . 1 1 38 38 VAL CB C 38 34.850 34.850 31.790 3.060 17767 5057 1 8 . 1 1 38 38 VAL H H 38 9.540 9.540 9.185 0.355 17767 5058 1 8 . 1 1 39 39 GLU N N 39 128.350 128.350 129.266 -0.916 17767 5059 1 8 . 1 1 39 39 GLU HA H 39 5.440 5.440 4.526 0.914 17767 5060 1 8 . 1 1 39 39 GLU C C 39 176.000 176.000 174.550 1.450 17767 5061 1 8 . 1 1 39 39 GLU CA C 39 54.720 54.720 56.532 -1.812 17767 5062 1 8 . 1 1 39 39 GLU CB C 39 32.410 32.410 31.073 1.337 17767 5063 1 8 . 1 1 39 39 GLU H H 39 9.590 9.590 8.299 1.291 17767 5064 1 8 . 1 1 40 40 ILE N N 40 126.110 126.110 126.427 -0.317 17767 5065 1 8 . 1 1 40 40 ILE HA H 40 5.050 5.050 5.040 0.010 17767 5066 1 8 . 1 1 40 40 ILE C C 40 175.800 175.800 173.448 2.352 17767 5067 1 8 . 1 1 40 40 ILE CA C 40 61.330 61.330 59.121 2.209 17767 5068 1 8 . 1 1 40 40 ILE CB C 40 40.160 40.160 41.663 -1.503 17767 5069 1 8 . 1 1 40 40 ILE H H 40 9.630 9.630 7.961 1.669 17767 5070 1 8 . 1 1 41 41 GLN N N 41 128.360 128.360 127.933 0.427 17767 5071 1 8 . 1 1 41 41 GLN HA H 41 4.720 4.720 4.759 -0.039 17767 5072 1 8 . 1 1 41 41 GLN C C 41 173.900 173.900 173.712 0.188 17767 5073 1 8 . 1 1 41 41 GLN CA C 41 54.940 54.940 54.042 0.898 17767 5074 1 8 . 1 1 41 41 GLN CB C 41 31.820 31.820 31.733 0.087 17767 5075 1 8 . 1 1 41 41 GLN H H 41 9.270 9.270 8.760 0.510 17767 5076 1 8 . 1 1 42 42 GLN N N 42 126.110 126.110 121.788 4.322 17767 5077 1 8 . 1 1 42 42 GLN HA H 42 4.380 4.380 4.483 -0.103 17767 5078 1 8 . 1 1 42 42 GLN C C 42 174.700 174.700 174.533 0.167 17767 5079 1 8 . 1 1 42 42 GLN CA C 42 54.150 54.150 54.132 0.018 17767 5080 1 8 . 1 1 42 42 GLN CB C 42 30.000 30.000 31.273 -1.273 17767 5081 1 8 . 1 1 42 42 GLN H H 42 8.250 8.250 8.469 -0.219 17767 5082 1 8 . 1 1 43 43 LYS N N 43 130.610 130.610 126.834 3.776 17767 5083 1 8 . 1 1 43 43 LYS HA H 43 4.460 4.460 4.555 -0.095 17767 5084 1 8 . 1 1 43 43 LYS C C 43 176.030 176.030 176.288 -0.258 17767 5085 1 8 . 1 1 43 43 LYS CA C 43 55.306 55.306 55.699 -0.393 17767 5086 1 8 . 1 1 43 43 LYS CB C 43 33.270 33.270 33.161 0.109 17767 5087 1 8 . 1 1 43 43 LYS H H 43 8.820 8.820 8.758 0.062 17767 5088 1 8 . 1 1 44 44 GLY N N 44 117.110 117.110 115.896 1.214 17767 5089 1 8 . 1 1 44 44 GLY C C 44 174.300 174.300 174.807 -0.507 17767 5090 1 8 . 1 1 44 44 GLY CA C 44 47.480 47.480 46.945 0.535 17767 5091 1 8 . 1 1 44 44 GLY H H 44 8.940 8.940 8.676 0.264 17767 5092 1 8 . 1 1 45 45 ASP N N 45 127.799 127.799 123.415 4.384 17767 5093 1 8 . 1 1 45 45 ASP HA H 45 4.870 4.870 4.889 -0.019 17767 5094 1 8 . 1 1 45 45 ASP C C 45 174.700 174.700 175.845 -1.145 17767 5095 1 8 . 1 1 45 45 ASP CA C 45 54.719 54.719 54.094 0.625 17767 5096 1 8 . 1 1 45 45 ASP CB C 45 41.270 41.270 42.146 -0.876 17767 5097 1 8 . 1 1 45 45 ASP H H 45 8.870 8.870 8.270 0.600 17767 5098 1 8 . 1 1 46 46 ASP N N 46 120.480 120.480 121.338 -0.858 17767 5099 1 8 . 1 1 46 46 ASP HA H 46 5.230 5.230 5.337 -0.107 17767 5100 1 8 . 1 1 46 46 ASP C C 46 175.070 175.070 174.872 0.198 17767 5101 1 8 . 1 1 46 46 ASP CA C 46 54.132 54.132 54.579 -0.447 17767 5102 1 8 . 1 1 46 46 ASP CB C 46 41.570 41.570 42.156 -0.586 17767 5103 1 8 . 1 1 46 46 ASP H H 46 8.060 8.060 7.645 0.415 17767 5104 1 8 . 1 1 47 47 PHE N N 47 122.730 122.730 123.886 -1.156 17767 5105 1 8 . 1 1 47 47 PHE HA H 47 5.090 5.090 5.046 0.044 17767 5106 1 8 . 1 1 47 47 PHE C C 47 176.400 176.400 175.018 1.382 17767 5107 1 8 . 1 1 47 47 PHE CA C 47 56.420 56.420 54.846 1.574 17767 5108 1 8 . 1 1 47 47 PHE CB C 47 44.150 44.150 42.087 2.063 17767 5109 1 8 . 1 1 47 47 PHE H H 47 9.296 9.296 9.165 0.131 17767 5110 1 8 . 1 1 48 48 VAL N N 48 121.690 121.690 121.308 0.382 17767 5111 1 8 . 1 1 48 48 VAL HA H 48 4.500 4.500 4.323 0.177 17767 5112 1 8 . 1 1 48 48 VAL C C 48 175.700 175.700 174.689 1.011 17767 5113 1 8 . 1 1 48 48 VAL CA C 48 62.930 62.930 61.814 1.116 17767 5114 1 8 . 1 1 48 48 VAL CB C 48 34.670 34.670 33.109 1.561 17767 5115 1 8 . 1 1 48 48 VAL H H 48 8.520 8.520 9.119 -0.599 17767 5116 1 8 . 1 1 49 49 VAL N N 49 127.200 127.200 129.453 -2.253 17767 5117 1 8 . 1 1 49 49 VAL HA H 49 5.250 5.250 4.588 0.662 17767 5118 1 8 . 1 1 49 49 VAL C C 49 175.700 175.700 175.517 0.183 17767 5119 1 8 . 1 1 49 49 VAL CA C 49 61.180 61.180 61.685 -0.505 17767 5120 1 8 . 1 1 49 49 VAL CB C 49 34.660 34.660 32.738 1.922 17767 5121 1 8 . 1 1 49 49 VAL H H 49 9.330 9.330 9.323 0.007 17767 5122 1 8 . 1 1 50 50 THR N N 50 128.500 128.500 124.457 4.043 17767 5123 1 8 . 1 1 50 50 THR HA H 50 5.430 5.430 5.082 0.348 17767 5124 1 8 . 1 1 50 50 THR C C 50 173.810 173.810 173.577 0.233 17767 5125 1 8 . 1 1 50 50 THR CA C 50 61.530 61.530 60.981 0.549 17767 5126 1 8 . 1 1 50 50 THR CB C 50 70.760 70.760 70.369 0.391 17767 5127 1 8 . 1 1 50 50 THR H H 50 9.730 9.730 9.374 0.356 17767 5128 1 8 . 1 1 51 51 SER N N 51 122.730 122.730 122.492 0.238 17767 5129 1 8 . 1 1 51 51 SER HA H 51 5.430 5.430 4.875 0.555 17767 5130 1 8 . 1 1 51 51 SER C C 51 173.800 173.800 173.692 0.108 17767 5131 1 8 . 1 1 51 51 SER CA C 51 57.060 57.060 56.794 0.266 17767 5132 1 8 . 1 1 51 51 SER CB C 51 64.550 64.550 64.032 0.518 17767 5133 1 8 . 1 1 51 51 SER H H 51 9.190 9.190 8.644 0.546 17767 5134 1 8 . 1 1 52 52 LYS N N 52 125.550 125.550 128.232 -2.682 17767 5135 1 8 . 1 1 52 52 LYS HA H 52 5.310 5.310 4.408 0.902 17767 5136 1 8 . 1 1 52 52 LYS C C 52 175.900 175.900 176.278 -0.378 17767 5137 1 8 . 1 1 52 52 LYS CA C 52 56.120 56.120 56.400 -0.280 17767 5138 1 8 . 1 1 52 52 LYS CB C 52 36.130 36.130 33.485 2.645 17767 5139 1 8 . 1 1 52 52 LYS H H 52 9.490 9.490 8.745 0.745 17767 5140 1 8 . 1 1 53 53 THR N N 53 115.980 115.980 115.608 0.372 17767 5141 1 8 . 1 1 53 53 THR HA H 53 5.024 5.024 4.765 0.259 17767 5142 1 8 . 1 1 53 53 THR C C 53 173.400 173.400 173.022 0.378 17767 5143 1 8 . 1 1 53 53 THR CA C 53 59.140 59.140 58.580 0.560 17767 5144 1 8 . 1 1 53 53 THR CB C 53 69.300 69.300 69.986 -0.685 17767 5145 1 8 . 1 1 53 53 THR H H 53 8.760 8.760 8.116 0.644 17767 5146 1 8 . 1 1 54 54 PRO HA H 54 4.350 4.350 4.545 -0.195 17767 5147 1 8 . 1 1 54 54 PRO C C 54 177.200 177.200 176.716 0.484 17767 5148 1 8 . 1 1 54 54 PRO CA C 54 66.458 66.458 63.858 2.600 17767 5149 1 8 . 1 1 54 54 PRO CB C 54 32.400 32.400 32.012 0.388 17767 5150 1 8 . 1 1 55 55 ARG N N 55 111.480 111.480 118.019 -6.539 17767 5151 1 8 . 1 1 55 55 ARG HA H 55 4.510 4.510 4.544 -0.034 17767 5152 1 8 . 1 1 55 55 ARG C C 55 175.800 175.800 176.202 -0.402 17767 5153 1 8 . 1 1 55 55 ARG CA C 55 55.893 55.893 56.608 -0.715 17767 5154 1 8 . 1 1 55 55 ARG CB C 55 32.520 32.520 32.596 -0.076 17767 5155 1 8 . 1 1 55 55 ARG H H 55 8.010 8.010 7.709 0.301 17767 5156 1 8 . 1 1 56 56 GLN N N 56 118.230 118.230 118.333 -0.103 17767 5157 1 8 . 1 1 56 56 GLN HA H 56 4.830 4.830 4.541 0.289 17767 5158 1 8 . 1 1 56 56 GLN C C 56 174.200 174.200 174.163 0.037 17767 5159 1 8 . 1 1 56 56 GLN CA C 56 55.610 55.610 55.556 0.054 17767 5160 1 8 . 1 1 56 56 GLN CB C 56 32.880 32.880 31.621 1.259 17767 5161 1 8 . 1 1 56 56 GLN H H 56 7.530 7.530 8.135 -0.605 17767 5162 1 8 . 1 1 57 57 THR N N 57 120.480 120.480 122.736 -2.256 17767 5163 1 8 . 1 1 57 57 THR HA H 57 5.330 5.330 4.741 0.589 17767 5164 1 8 . 1 1 57 57 THR C C 57 174.000 174.000 174.824 -0.824 17767 5165 1 8 . 1 1 57 57 THR CA C 57 61.760 61.760 63.431 -1.671 17767 5166 1 8 . 1 1 57 57 THR CB C 57 71.500 71.500 68.999 2.501 17767 5167 1 8 . 1 1 57 57 THR H H 57 8.610 8.610 8.397 0.213 17767 5168 1 8 . 1 1 58 58 VAL N N 58 125.200 125.200 123.569 1.631 17767 5169 1 8 . 1 1 58 58 VAL HA H 58 4.540 4.540 4.674 -0.134 17767 5170 1 8 . 1 1 58 58 VAL C C 58 174.400 174.400 175.261 -0.861 17767 5171 1 8 . 1 1 58 58 VAL CA C 58 61.170 61.170 59.627 1.543 17767 5172 1 8 . 1 1 58 58 VAL CB C 58 35.560 35.560 33.864 1.696 17767 5173 1 8 . 1 1 58 58 VAL H H 58 8.830 8.830 8.579 0.251 17767 5174 1 8 . 1 1 59 59 THR N N 59 125.500 125.500 115.023 10.477 17767 5175 1 8 . 1 1 59 59 THR HA H 59 5.260 5.260 5.181 0.079 17767 5176 1 8 . 1 1 59 59 THR C C 59 173.400 173.400 173.668 -0.268 17767 5177 1 8 . 1 1 59 59 THR CA C 59 61.980 61.980 61.079 0.901 17767 5178 1 8 . 1 1 59 59 THR CB C 59 71.150 71.150 71.348 -0.198 17767 5179 1 8 . 1 1 59 59 THR H H 59 8.870 8.870 8.189 0.681 17767 5180 1 8 . 1 1 60 60 ASN N N 60 124.700 124.700 123.555 1.145 17767 5181 1 8 . 1 1 60 60 ASN HA H 60 5.270 5.270 5.132 0.138 17767 5182 1 8 . 1 1 60 60 ASN C C 60 173.300 173.300 173.808 -0.508 17767 5183 1 8 . 1 1 60 60 ASN CA C 60 53.000 53.000 52.825 0.175 17767 5184 1 8 . 1 1 60 60 ASN CB C 60 44.700 44.700 42.434 2.266 17767 5185 1 8 . 1 1 60 60 ASN H H 60 9.180 9.180 9.147 0.033 17767 5186 1 8 . 1 1 61 61 SER N N 61 115.980 115.980 118.424 -2.444 17767 5187 1 8 . 1 1 61 61 SER HA H 61 5.430 5.430 5.389 0.041 17767 5188 1 8 . 1 1 61 61 SER C C 61 173.300 173.300 173.265 0.035 17767 5189 1 8 . 1 1 61 61 SER CA C 61 57.060 57.060 56.691 0.369 17767 5190 1 8 . 1 1 61 61 SER CB C 61 65.590 65.590 66.228 -0.638 17767 5191 1 8 . 1 1 61 61 SER H H 61 8.840 8.840 8.643 0.197 17767 5192 1 8 . 1 1 62 62 PHE N N 62 117.670 117.670 116.622 1.048 17767 5193 1 8 . 1 1 62 62 PHE HA H 62 5.020 5.020 4.841 0.179 17767 5194 1 8 . 1 1 62 62 PHE C C 62 173.100 173.100 173.356 -0.256 17767 5195 1 8 . 1 1 62 62 PHE CA C 62 56.590 56.590 56.797 -0.207 17767 5196 1 8 . 1 1 62 62 PHE CB C 62 40.030 40.030 40.704 -0.674 17767 5197 1 8 . 1 1 62 62 PHE H H 62 8.235 8.235 8.660 -0.425 17767 5198 1 8 . 1 1 63 63 THR N N 63 119.920 119.920 117.430 2.490 17767 5199 1 8 . 1 1 63 63 THR HA H 63 5.500 5.500 4.938 0.562 17767 5200 1 8 . 1 1 63 63 THR C C 63 175.600 175.600 174.610 0.990 17767 5201 1 8 . 1 1 63 63 THR CA C 63 61.170 61.170 61.813 -0.643 17767 5202 1 8 . 1 1 63 63 THR CB C 63 72.320 72.320 70.019 2.300 17767 5203 1 8 . 1 1 63 63 THR H H 63 9.650 9.650 8.795 0.855 17767 5204 1 8 . 1 1 64 64 LEU N N 64 126.300 126.300 127.414 -1.114 17767 5205 1 8 . 1 1 64 64 LEU HA H 64 4.430 4.430 3.884 0.546 17767 5206 1 8 . 1 1 64 64 LEU C C 64 178.000 178.000 178.475 -0.475 17767 5207 1 8 . 1 1 64 64 LEU CA C 64 56.100 56.100 56.146 -0.046 17767 5208 1 8 . 1 1 64 64 LEU CB C 64 41.330 41.330 40.304 1.026 17767 5209 1 8 . 1 1 64 64 LEU H H 64 9.280 9.280 8.920 0.360 17767 5210 1 8 . 1 1 65 65 GLY N N 65 107.520 107.520 112.477 -4.957 17767 5211 1 8 . 1 1 65 65 GLY C C 65 173.800 173.800 173.340 0.460 17767 5212 1 8 . 1 1 65 65 GLY CA C 65 45.780 45.780 44.864 0.916 17767 5213 1 8 . 1 1 65 65 GLY H H 65 9.110 9.110 8.999 0.111 17767 5214 1 8 . 1 1 66 66 LYS N N 66 121.600 121.600 119.712 1.888 17767 5215 1 8 . 1 1 66 66 LYS HA H 66 4.780 4.780 4.623 0.157 17767 5216 1 8 . 1 1 66 66 LYS C C 66 175.600 175.600 175.368 0.232 17767 5217 1 8 . 1 1 66 66 LYS CA C 66 54.100 54.100 54.664 -0.564 17767 5218 1 8 . 1 1 66 66 LYS CB C 66 34.620 34.620 36.121 -1.501 17767 5219 1 8 . 1 1 66 66 LYS H H 66 7.910 7.910 7.978 -0.068 17767 5220 1 8 . 1 1 67 67 GLU N N 67 129.400 129.400 123.630 5.770 17767 5221 1 8 . 1 1 67 67 GLU HA H 67 4.070 4.070 4.340 -0.270 17767 5222 1 8 . 1 1 67 67 GLU C C 67 175.030 175.030 175.430 -0.400 17767 5223 1 8 . 1 1 67 67 GLU CA C 67 59.220 59.220 56.510 2.710 17767 5224 1 8 . 1 1 67 67 GLU CB C 67 30.400 30.400 29.999 0.401 17767 5225 1 8 . 1 1 67 67 GLU H H 67 8.940 8.940 8.775 0.165 17767 5226 1 8 . 1 1 68 68 ALA N N 68 130.940 130.940 130.287 0.653 17767 5227 1 8 . 1 1 68 68 ALA HA H 68 4.900 4.900 4.687 0.213 17767 5228 1 8 . 1 1 68 68 ALA C C 68 176.000 176.000 175.780 0.220 17767 5229 1 8 . 1 1 68 68 ALA CA C 68 51.000 51.000 50.520 0.480 17767 5230 1 8 . 1 1 68 68 ALA CB C 68 22.440 22.440 22.461 -0.021 17767 5231 1 8 . 1 1 68 68 ALA H H 68 8.660 8.660 8.904 -0.244 17767 5232 1 8 . 1 1 69 69 ASP N N 69 120.500 120.500 122.228 -1.728 17767 5233 1 8 . 1 1 69 69 ASP HA H 69 5.000 5.000 4.693 0.307 17767 5234 1 8 . 1 1 69 69 ASP C C 69 174.400 174.400 175.910 -1.510 17767 5235 1 8 . 1 1 69 69 ASP CA C 69 54.670 54.670 53.391 1.279 17767 5236 1 8 . 1 1 69 69 ASP CB C 69 41.930 41.930 40.255 1.675 17767 5237 1 8 . 1 1 69 69 ASP H H 69 8.330 8.330 8.615 -0.285 17767 5238 1 8 . 1 1 70 70 ILE N N 70 125.540 125.540 119.568 5.972 17767 5239 1 8 . 1 1 70 70 ILE HA H 70 4.510 4.510 4.635 -0.125 17767 5240 1 8 . 1 1 70 70 ILE C C 70 175.300 175.300 174.263 1.037 17767 5241 1 8 . 1 1 70 70 ILE CA C 70 57.690 57.690 59.554 -1.864 17767 5242 1 8 . 1 1 70 70 ILE CB C 70 40.040 40.040 40.830 -0.790 17767 5243 1 8 . 1 1 70 70 ILE H H 70 8.850 8.850 8.730 0.120 17767 5244 1 8 . 1 1 71 71 THR N N 71 123.860 123.860 116.784 7.076 17767 5245 1 8 . 1 1 71 71 THR HA H 71 5.240 5.240 5.003 0.237 17767 5246 1 8 . 1 1 71 71 THR C C 71 174.600 174.600 173.713 0.887 17767 5247 1 8 . 1 1 71 71 THR CA C 71 61.610 61.610 60.943 0.667 17767 5248 1 8 . 1 1 71 71 THR CB C 71 70.370 70.370 70.981 -0.611 17767 5249 1 8 . 1 1 71 71 THR H H 71 9.460 9.460 9.263 0.197 17767 5250 1 8 . 1 1 72 72 THR N N 72 115.980 115.980 118.991 -3.011 17767 5251 1 8 . 1 1 72 72 THR HA H 72 4.550 4.550 4.603 -0.053 17767 5252 1 8 . 1 1 72 72 THR C C 72 177.300 177.300 176.202 1.098 17767 5253 1 8 . 1 1 72 72 THR CA C 72 60.550 60.550 60.489 0.061 17767 5254 1 8 . 1 1 72 72 THR CB C 72 70.710 70.710 69.831 0.879 17767 5255 1 8 . 1 1 72 72 THR H H 72 8.700 8.700 8.531 0.169 17767 5256 1 8 . 1 1 73 73 MET N N 73 119.830 119.830 120.411 -0.581 17767 5257 1 8 . 1 1 73 73 MET HA H 73 4.110 4.110 4.379 -0.269 17767 5258 1 8 . 1 1 73 73 MET C C 73 176.200 176.200 176.169 0.031 17767 5259 1 8 . 1 1 73 73 MET CA C 73 58.900 58.900 55.918 2.982 17767 5260 1 8 . 1 1 73 73 MET CB C 73 34.760 34.760 32.469 2.291 17767 5261 1 8 . 1 1 73 73 MET H H 73 10.360 10.360 8.585 1.775 17767 5262 1 8 . 1 1 74 74 ASP N N 74 112.220 112.220 117.893 -5.673 17767 5263 1 8 . 1 1 74 74 ASP HA H 74 4.800 4.800 4.498 0.302 17767 5264 1 8 . 1 1 74 74 ASP C C 74 175.600 175.600 177.043 -1.443 17767 5265 1 8 . 1 1 74 74 ASP CA C 74 52.630 52.630 54.340 -1.710 17767 5266 1 8 . 1 1 74 74 ASP CB C 74 38.870 38.870 41.751 -2.881 17767 5267 1 8 . 1 1 74 74 ASP H H 74 8.680 8.680 7.573 1.107 17767 5268 1 8 . 1 1 75 75 GLY N N 75 108.040 108.040 106.443 1.597 17767 5269 1 8 . 1 1 75 75 GLY C C 75 175.000 175.000 173.722 1.278 17767 5270 1 8 . 1 1 75 75 GLY CA C 75 46.400 46.400 44.911 1.489 17767 5271 1 8 . 1 1 75 75 GLY H H 75 7.600 7.600 7.508 0.092 17767 5272 1 8 . 1 1 76 76 LYS N N 76 120.500 120.500 120.218 0.282 17767 5273 1 8 . 1 1 76 76 LYS HA H 76 4.440 4.440 4.465 -0.025 17767 5274 1 8 . 1 1 76 76 LYS C C 76 175.400 175.400 175.624 -0.224 17767 5275 1 8 . 1 1 76 76 LYS CA C 76 55.240 55.240 55.201 0.039 17767 5276 1 8 . 1 1 76 76 LYS CB C 76 33.500 33.500 34.002 -0.502 17767 5277 1 8 . 1 1 76 76 LYS H H 76 8.260 8.260 7.946 0.314 17767 5278 1 8 . 1 1 77 77 LYS N N 77 119.300 119.300 122.522 -3.222 17767 5279 1 8 . 1 1 77 77 LYS HA H 77 5.370 5.370 4.809 0.561 17767 5280 1 8 . 1 1 77 77 LYS C C 77 176.100 176.100 176.069 0.031 17767 5281 1 8 . 1 1 77 77 LYS CA C 77 54.360 54.360 55.690 -1.330 17767 5282 1 8 . 1 1 77 77 LYS CB C 77 32.840 32.840 33.128 -0.288 17767 5283 1 8 . 1 1 77 77 LYS H H 77 8.130 8.130 8.411 -0.281 17767 5284 1 8 . 1 1 78 78 LEU N N 78 123.860 123.860 126.154 -2.294 17767 5285 1 8 . 1 1 78 78 LEU HA H 78 4.910 4.910 4.794 0.116 17767 5286 1 8 . 1 1 78 78 LEU C C 78 175.600 175.600 175.675 -0.075 17767 5287 1 8 . 1 1 78 78 LEU CA C 78 53.170 53.170 53.964 -0.794 17767 5288 1 8 . 1 1 78 78 LEU CB C 78 45.780 45.780 45.419 0.361 17767 5289 1 8 . 1 1 78 78 LEU H H 78 9.028 9.028 8.583 0.445 17767 5290 1 8 . 1 1 79 79 LYS N N 79 119.280 119.280 121.619 -2.339 17767 5291 1 8 . 1 1 79 79 LYS HA H 79 5.615 5.615 5.126 0.489 17767 5292 1 8 . 1 1 79 79 LYS C C 79 176.600 176.600 175.413 1.187 17767 5293 1 8 . 1 1 79 79 LYS CA C 79 55.000 55.000 55.249 -0.249 17767 5294 1 8 . 1 1 79 79 LYS CB C 79 36.850 36.850 33.246 3.604 17767 5295 1 8 . 1 1 79 79 LYS H H 79 8.240 8.240 8.340 -0.100 17767 5296 1 8 . 1 1 80 80 CYS N N 80 115.980 115.980 124.686 -8.706 17767 5297 1 8 . 1 1 80 80 CYS HA H 80 4.700 4.700 4.699 0.001 17767 5298 1 8 . 1 1 80 80 CYS C C 80 173.500 173.500 174.406 -0.906 17767 5299 1 8 . 1 1 80 80 CYS CA C 80 56.500 56.500 57.688 -1.188 17767 5300 1 8 . 1 1 80 80 CYS CB C 80 45.700 45.700 29.891 15.809 17767 5301 1 8 . 1 1 80 80 CYS H H 80 8.306 8.306 8.570 -0.264 17767 5302 1 8 . 1 1 81 81 THR N N 81 122.000 122.000 124.129 -2.129 17767 5303 1 8 . 1 1 81 81 THR HA H 81 4.303 4.303 4.669 -0.366 17767 5304 1 8 . 1 1 81 81 THR C C 81 173.100 173.100 174.157 -1.057 17767 5305 1 8 . 1 1 81 81 THR CA C 81 62.460 62.460 60.687 1.773 17767 5306 1 8 . 1 1 81 81 THR CB C 81 68.200 68.200 67.545 0.655 17767 5307 1 8 . 1 1 81 81 THR H H 81 8.840 8.840 8.803 0.037 17767 5308 1 8 . 1 1 82 82 VAL N N 82 132.160 132.160 124.114 8.046 17767 5309 1 8 . 1 1 82 82 VAL HA H 82 4.449 4.449 4.057 0.392 17767 5310 1 8 . 1 1 82 82 VAL C C 82 175.100 175.100 175.403 -0.303 17767 5311 1 8 . 1 1 82 82 VAL CA C 82 61.760 61.760 63.605 -1.845 17767 5312 1 8 . 1 1 82 82 VAL CB C 82 31.200 31.200 30.885 0.315 17767 5313 1 8 . 1 1 82 82 VAL H H 82 9.520 9.520 7.328 2.192 17767 5314 1 8 . 1 1 83 83 HIS N N 83 123.860 123.860 122.088 1.772 17767 5315 1 8 . 1 1 83 83 HIS HA H 83 5.009 5.009 4.853 0.156 17767 5316 1 8 . 1 1 83 83 HIS C C 83 173.500 173.500 172.960 0.540 17767 5317 1 8 . 1 1 83 83 HIS CA C 83 55.300 55.300 53.813 1.486 17767 5318 1 8 . 1 1 83 83 HIS CB C 83 33.400 33.400 32.460 0.940 17767 5319 1 8 . 1 1 83 83 HIS H H 83 8.740 8.740 8.427 0.313 17767 5320 1 8 . 1 1 84 84 LEU N N 84 121.600 121.600 124.007 -2.407 17767 5321 1 8 . 1 1 84 84 LEU HA H 84 5.420 5.420 4.798 0.622 17767 5322 1 8 . 1 1 84 84 LEU C C 84 176.500 176.500 175.668 0.832 17767 5323 1 8 . 1 1 84 84 LEU CA C 84 53.790 53.790 54.216 -0.426 17767 5324 1 8 . 1 1 84 84 LEU CB C 84 44.740 44.740 42.965 1.775 17767 5325 1 8 . 1 1 84 84 LEU H H 84 8.850 8.850 8.516 0.334 17767 5326 1 8 . 1 1 85 85 ALA N N 85 128.800 128.800 128.574 0.226 17767 5327 1 8 . 1 1 85 85 ALA HA H 85 4.750 4.750 4.464 0.286 17767 5328 1 8 . 1 1 85 85 ALA C C 85 177.000 177.000 175.961 1.039 17767 5329 1 8 . 1 1 85 85 ALA CA C 85 51.480 51.480 52.273 -0.793 17767 5330 1 8 . 1 1 85 85 ALA CB C 85 20.910 20.910 20.556 0.354 17767 5331 1 8 . 1 1 85 85 ALA H H 85 9.230 9.230 8.762 0.468 17767 5332 1 8 . 1 1 86 86 ASN HA H 86 4.430 4.430 4.427 0.003 17767 5333 1 8 . 1 1 86 86 ASN C C 86 175.400 175.400 175.498 -0.098 17767 5334 1 8 . 1 1 86 86 ASN CA C 86 54.140 54.140 54.138 0.002 17767 5335 1 8 . 1 1 86 86 ASN CB C 86 37.550 37.550 37.326 0.224 17767 5336 1 8 . 1 1 87 87 GLY N N 87 103.430 103.430 102.249 1.181 17767 5337 1 8 . 1 1 87 87 GLY C C 87 173.800 173.800 172.989 0.811 17767 5338 1 8 . 1 1 87 87 GLY CA C 87 45.670 45.670 45.617 0.053 17767 5339 1 8 . 1 1 87 87 GLY H H 87 8.620 8.620 8.734 -0.114 17767 5340 1 8 . 1 1 88 88 LYS N N 88 120.490 120.490 119.083 1.407 17767 5341 1 8 . 1 1 88 88 LYS HA H 88 5.120 5.120 5.089 0.031 17767 5342 1 8 . 1 1 88 88 LYS C C 88 175.500 175.500 174.460 1.040 17767 5343 1 8 . 1 1 88 88 LYS CA C 88 55.140 55.140 54.520 0.620 17767 5344 1 8 . 1 1 88 88 LYS CB C 88 34.610 34.610 35.739 -1.129 17767 5345 1 8 . 1 1 88 88 LYS H H 88 7.880 7.880 7.464 0.416 17767 5346 1 8 . 1 1 89 89 LEU N N 89 124.420 124.420 126.776 -2.356 17767 5347 1 8 . 1 1 89 89 LEU HA H 89 4.730 4.730 4.566 0.164 17767 5348 1 8 . 1 1 89 89 LEU C C 89 176.700 176.700 174.986 1.714 17767 5349 1 8 . 1 1 89 89 LEU CA C 89 54.500 54.500 53.705 0.795 17767 5350 1 8 . 1 1 89 89 LEU CB C 89 44.150 44.150 42.880 1.270 17767 5351 1 8 . 1 1 89 89 LEU H H 89 8.780 8.780 9.029 -0.249 17767 5352 1 8 . 1 1 90 90 VAL N N 90 122.500 122.500 125.386 -2.886 17767 5353 1 8 . 1 1 90 90 VAL HA H 90 5.420 5.420 4.139 1.281 17767 5354 1 8 . 1 1 90 90 VAL C C 90 175.200 175.200 174.000 1.200 17767 5355 1 8 . 1 1 90 90 VAL CA C 90 60.350 60.350 61.718 -1.368 17767 5356 1 8 . 1 1 90 90 VAL CB C 90 35.930 35.930 32.802 3.128 17767 5357 1 8 . 1 1 90 90 VAL H H 90 9.050 9.050 8.787 0.263 17767 5358 1 8 . 1 1 91 91 CYS N N 91 123.100 123.100 128.963 -5.863 17767 5359 1 8 . 1 1 91 91 CYS HA H 91 5.370 5.370 4.839 0.531 17767 5360 1 8 . 1 1 91 91 CYS C C 91 172.700 172.700 173.127 -0.427 17767 5361 1 8 . 1 1 91 91 CYS CA C 91 55.230 55.230 57.045 -1.815 17767 5362 1 8 . 1 1 91 91 CYS CB C 91 42.970 42.970 27.155 15.815 17767 5363 1 8 . 1 1 91 91 CYS H H 91 8.820 8.820 8.540 0.280 17767 5364 1 8 . 1 1 92 92 LYS N N 92 128.900 128.900 127.024 1.876 17767 5365 1 8 . 1 1 92 92 LYS HA H 92 5.000 5.000 4.784 0.216 17767 5366 1 8 . 1 1 92 92 LYS C C 92 174.270 174.270 175.734 -1.464 17767 5367 1 8 . 1 1 92 92 LYS CA C 92 55.360 55.360 55.381 -0.021 17767 5368 1 8 . 1 1 92 92 LYS CB C 92 35.960 35.960 34.178 1.782 17767 5369 1 8 . 1 1 92 92 LYS H H 92 9.450 9.450 8.378 1.072 17767 5370 1 8 . 1 1 93 93 SER N N 93 119.300 119.300 121.115 -1.815 17767 5371 1 8 . 1 1 93 93 SER HA H 93 4.710 4.710 4.803 -0.093 17767 5372 1 8 . 1 1 93 93 SER C C 93 174.200 174.200 175.132 -0.932 17767 5373 1 8 . 1 1 93 93 SER CA C 93 55.430 55.430 57.186 -1.756 17767 5374 1 8 . 1 1 93 93 SER CB C 93 66.460 66.460 65.013 1.447 17767 5375 1 8 . 1 1 93 93 SER H H 93 8.620 8.620 8.464 0.156 17767 5376 1 8 . 1 1 94 94 GLU N N 94 119.900 119.900 120.345 -0.445 17767 5377 1 8 . 1 1 94 94 GLU HA H 94 4.090 4.090 4.366 -0.276 17767 5378 1 8 . 1 1 94 94 GLU C C 94 177.600 177.600 175.395 2.205 17767 5379 1 8 . 1 1 94 94 GLU CA C 94 59.440 59.440 57.249 2.191 17767 5380 1 8 . 1 1 94 94 GLU CB C 94 29.360 29.360 26.882 2.478 17767 5381 1 8 . 1 1 94 94 GLU H H 94 8.670 8.670 8.717 -0.047 17767 5382 1 8 . 1 1 95 95 LYS N N 95 113.500 113.500 117.249 -3.749 17767 5383 1 8 . 1 1 95 95 LYS HA H 95 4.430 4.430 3.976 0.454 17767 5384 1 8 . 1 1 95 95 LYS C C 95 175.980 175.980 174.917 1.063 17767 5385 1 8 . 1 1 95 95 LYS CA C 95 56.180 56.180 56.649 -0.469 17767 5386 1 8 . 1 1 95 95 LYS CB C 95 35.220 35.220 32.877 2.343 17767 5387 1 8 . 1 1 95 95 LYS H H 95 8.300 8.300 7.704 0.596 17767 5388 1 8 . 1 1 96 96 PHE N N 96 113.270 113.270 117.444 -4.174 17767 5389 1 8 . 1 1 96 96 PHE HA H 96 5.860 5.860 4.809 1.051 17767 5390 1 8 . 1 1 96 96 PHE C C 96 173.900 173.900 174.202 -0.302 17767 5391 1 8 . 1 1 96 96 PHE CA C 96 55.890 55.890 55.627 0.263 17767 5392 1 8 . 1 1 96 96 PHE CB C 96 43.560 43.560 41.130 2.430 17767 5393 1 8 . 1 1 96 96 PHE H H 96 7.000 7.000 7.277 -0.277 17767 5394 1 8 . 1 1 97 97 SER N N 97 112.050 112.050 113.574 -1.524 17767 5395 1 8 . 1 1 97 97 SER HA H 97 5.220 5.220 4.818 0.402 17767 5396 1 8 . 1 1 97 97 SER C C 97 172.560 172.560 172.332 0.228 17767 5397 1 8 . 1 1 97 97 SER CA C 97 57.870 57.870 58.491 -0.621 17767 5398 1 8 . 1 1 97 97 SER CB C 97 65.990 65.990 64.924 1.065 17767 5399 1 8 . 1 1 97 97 SER H H 97 8.790 8.790 8.623 0.167 17767 5400 1 8 . 1 1 98 98 HIS N N 98 126.300 126.300 125.288 1.012 17767 5401 1 8 . 1 1 98 98 HIS HA H 98 5.190 5.190 5.166 0.024 17767 5402 1 8 . 1 1 98 98 HIS C C 98 174.500 174.500 173.309 1.191 17767 5403 1 8 . 1 1 98 98 HIS CA C 98 56.260 56.260 54.532 1.728 17767 5404 1 8 . 1 1 98 98 HIS CB C 98 36.270 36.270 32.947 3.322 17767 5405 1 8 . 1 1 98 98 HIS H H 98 9.190 9.190 9.165 0.025 17767 5406 1 8 . 1 1 99 99 GLU N N 99 126.670 126.670 128.584 -1.914 17767 5407 1 8 . 1 1 99 99 GLU HA H 99 5.390 5.390 4.830 0.560 17767 5408 1 8 . 1 1 99 99 GLU C C 99 175.400 175.400 174.723 0.677 17767 5409 1 8 . 1 1 99 99 GLU CA C 99 55.000 55.000 55.012 -0.012 17767 5410 1 8 . 1 1 99 99 GLU CB C 99 34.000 34.000 32.810 1.190 17767 5411 1 8 . 1 1 99 99 GLU H H 99 8.350 8.350 9.150 -0.800 17767 5412 1 8 . 1 1 101 101 GLU N N 101 125.500 125.500 126.656 -1.156 17767 5413 1 8 . 1 1 101 101 GLU HA H 101 5.160 5.160 4.757 0.403 17767 5414 1 8 . 1 1 101 101 GLU CA C 101 54.090 54.090 54.891 -0.801 17767 5415 1 8 . 1 1 101 101 GLU CB C 101 34.800 34.800 34.158 0.641 17767 5416 1 8 . 1 1 101 101 GLU H H 101 8.900 8.900 8.337 0.563 17767 5417 1 8 . 1 1 102 102 VAL N N 102 124.420 124.420 126.077 -1.657 17767 5418 1 8 . 1 1 102 102 VAL HA H 102 4.630 4.630 4.106 0.524 17767 5419 1 8 . 1 1 102 102 VAL C C 102 175.200 175.200 174.676 0.524 17767 5420 1 8 . 1 1 102 102 VAL CA C 102 61.380 61.380 61.234 0.146 17767 5421 1 8 . 1 1 102 102 VAL CB C 102 34.100 34.100 31.903 2.197 17767 5422 1 8 . 1 1 102 102 VAL H H 102 8.790 8.790 8.322 0.468 17767 5423 1 8 . 1 1 103 103 LYS N N 103 129.480 129.480 128.686 0.794 17767 5424 1 8 . 1 1 103 103 LYS HA H 103 4.570 4.570 4.489 0.081 17767 5425 1 8 . 1 1 103 103 LYS C C 103 176.500 176.500 176.909 -0.409 17767 5426 1 8 . 1 1 103 103 LYS CA C 103 55.340 55.340 54.918 0.422 17767 5427 1 8 . 1 1 103 103 LYS CB C 103 33.760 33.760 33.113 0.647 17767 5428 1 8 . 1 1 103 103 LYS H H 103 8.950 8.950 8.854 0.096 17767 5429 1 8 . 1 1 104 104 GLY N N 104 116.700 116.700 117.575 -0.875 17767 5430 1 8 . 1 1 104 104 GLY C C 104 174.500 174.500 175.026 -0.526 17767 5431 1 8 . 1 1 104 104 GLY CA C 104 47.680 47.680 46.765 0.915 17767 5432 1 8 . 1 1 104 104 GLY H H 104 9.140 9.140 8.868 0.272 17767 5433 1 8 . 1 1 105 105 ASN N N 105 125.540 125.540 123.834 1.706 17767 5434 1 8 . 1 1 105 105 ASN HA H 105 5.000 5.000 5.185 -0.185 17767 5435 1 8 . 1 1 105 105 ASN CA C 105 53.130 53.130 53.006 0.124 17767 5436 1 8 . 1 1 105 105 ASN CB C 105 39.060 39.060 40.772 -1.712 17767 5437 1 8 . 1 1 105 105 ASN H H 105 9.030 9.030 8.407 0.623 17767 5438 1 8 . 1 1 106 106 GLU N N 106 120.480 120.480 120.733 -0.253 17767 5439 1 8 . 1 1 106 106 GLU HA H 106 5.550 5.550 5.101 0.449 17767 5440 1 8 . 1 1 106 106 GLU CA C 106 55.550 55.550 55.521 0.029 17767 5441 1 8 . 1 1 106 106 GLU CB C 106 33.160 33.160 33.506 -0.346 17767 5442 1 8 . 1 1 106 106 GLU H H 106 8.100 8.100 8.087 0.013 17767 5443 1 8 . 1 1 107 107 MET N N 107 124.080 124.080 124.903 -0.823 17767 5444 1 8 . 1 1 107 107 MET HA H 107 5.120 5.120 5.131 -0.011 17767 5445 1 8 . 1 1 107 107 MET CA C 107 53.700 53.700 53.889 -0.189 17767 5446 1 8 . 1 1 107 107 MET CB C 107 36.800 36.800 35.680 1.120 17767 5447 1 8 . 1 1 107 107 MET H H 107 8.930 8.930 9.087 -0.157 17767 5448 1 8 . 1 1 108 108 VAL N N 108 126.820 126.820 121.989 4.831 17767 5449 1 8 . 1 1 108 108 VAL HA H 108 5.250 5.250 4.648 0.602 17767 5450 1 8 . 1 1 108 108 VAL CA C 108 61.340 61.340 59.361 1.979 17767 5451 1 8 . 1 1 108 108 VAL CB C 108 34.900 34.900 31.916 2.983 17767 5452 1 8 . 1 1 108 108 VAL H H 108 9.017 9.017 9.051 -0.034 17767 5453 1 8 . 1 1 109 109 GLU N N 109 128.300 128.300 127.007 1.293 17767 5454 1 8 . 1 1 109 109 GLU HA H 109 5.040 5.040 4.843 0.197 17767 5455 1 8 . 1 1 109 109 GLU C C 109 174.410 174.410 175.315 -0.905 17767 5456 1 8 . 1 1 109 109 GLU CA C 109 54.440 54.440 54.210 0.230 17767 5457 1 8 . 1 1 109 109 GLU CB C 109 34.760 34.760 32.362 2.398 17767 5458 1 8 . 1 1 109 109 GLU H H 109 9.100 9.100 8.195 0.905 17767 5459 1 8 . 1 1 110 110 THR N N 110 120.760 120.760 116.452 4.308 17767 5460 1 8 . 1 1 110 110 THR HA H 110 4.850 4.850 4.741 0.109 17767 5461 1 8 . 1 1 110 110 THR C C 110 174.900 174.900 172.870 2.030 17767 5462 1 8 . 1 1 110 110 THR CA C 110 61.980 61.980 62.294 -0.314 17767 5463 1 8 . 1 1 110 110 THR CB C 110 69.520 69.520 70.817 -1.297 17767 5464 1 8 . 1 1 110 110 THR H H 110 8.876 8.876 8.810 0.066 17767 5465 1 8 . 1 1 111 111 ILE N N 111 131.030 131.030 126.067 4.963 17767 5466 1 8 . 1 1 111 111 ILE HA H 111 5.240 5.240 4.719 0.521 17767 5467 1 8 . 1 1 111 111 ILE C C 111 174.600 174.600 174.674 -0.074 17767 5468 1 8 . 1 1 111 111 ILE CA C 111 60.310 60.310 59.187 1.123 17767 5469 1 8 . 1 1 111 111 ILE CB C 111 41.220 41.220 41.108 0.112 17767 5470 1 8 . 1 1 111 111 ILE H H 111 9.490 9.490 8.936 0.554 17767 5471 1 8 . 1 1 112 112 THR N N 112 122.800 122.800 118.675 4.125 17767 5472 1 8 . 1 1 112 112 THR HA H 112 5.960 5.960 5.124 0.836 17767 5473 1 8 . 1 1 112 112 THR C C 112 174.370 174.370 173.356 1.014 17767 5474 1 8 . 1 1 112 112 THR CA C 112 61.180 61.180 62.110 -0.930 17767 5475 1 8 . 1 1 112 112 THR CB C 112 71.250 71.250 70.518 0.732 17767 5476 1 8 . 1 1 112 112 THR H H 112 9.490 9.490 8.280 1.210 17767 5477 1 8 . 1 1 113 113 PHE N N 113 124.980 124.980 124.462 0.518 17767 5478 1 8 . 1 1 113 113 PHE HA H 113 4.820 4.820 4.331 0.489 17767 5479 1 8 . 1 1 113 113 PHE C C 113 175.700 175.700 175.955 -0.255 17767 5480 1 8 . 1 1 113 113 PHE CA C 113 58.800 58.800 56.943 1.857 17767 5481 1 8 . 1 1 113 113 PHE CB C 113 43.480 43.480 42.242 1.238 17767 5482 1 8 . 1 1 113 113 PHE H H 113 9.000 9.000 8.118 0.882 17767 5483 1 8 . 1 1 114 114 GLY N N 114 116.550 116.550 110.645 5.905 17767 5484 1 8 . 1 1 114 114 GLY C C 114 175.300 175.300 174.710 0.590 17767 5485 1 8 . 1 1 114 114 GLY CA C 114 46.840 46.840 45.809 1.031 17767 5486 1 8 . 1 1 114 114 GLY H H 114 8.410 8.410 8.985 -0.575 17767 5487 1 8 . 1 1 115 115 GLY N N 115 105.640 105.640 106.569 -0.929 17767 5488 1 8 . 1 1 115 115 GLY C C 115 174.200 174.200 173.887 0.313 17767 5489 1 8 . 1 1 115 115 GLY CA C 115 44.890 44.890 44.970 -0.080 17767 5490 1 8 . 1 1 115 115 GLY H H 115 8.560 8.560 8.225 0.335 17767 5491 1 8 . 1 1 116 116 VAL N N 116 123.600 123.600 120.180 3.420 17767 5492 1 8 . 1 1 116 116 VAL HA H 116 4.310 4.310 4.344 -0.034 17767 5493 1 8 . 1 1 116 116 VAL C C 116 174.640 174.640 175.125 -0.485 17767 5494 1 8 . 1 1 116 116 VAL CA C 116 62.250 62.250 60.545 1.705 17767 5495 1 8 . 1 1 116 116 VAL CB C 116 34.170 34.170 33.894 0.276 17767 5496 1 8 . 1 1 116 116 VAL H H 116 8.164 8.164 7.673 0.491 17767 5497 1 8 . 1 1 117 117 THR N N 117 123.270 123.270 122.699 0.571 17767 5498 1 8 . 1 1 117 117 THR HA H 117 5.250 5.250 4.551 0.699 17767 5499 1 8 . 1 1 117 117 THR C C 117 173.800 173.800 173.534 0.266 17767 5500 1 8 . 1 1 117 117 THR CA C 117 61.900 61.900 61.909 -0.009 17767 5501 1 8 . 1 1 117 117 THR CB C 117 70.450 70.450 69.092 1.358 17767 5502 1 8 . 1 1 117 117 THR H H 117 8.770 8.770 8.476 0.294 17767 5503 1 8 . 1 1 118 118 LEU N N 118 132.800 132.800 130.205 2.595 17767 5504 1 8 . 1 1 118 118 LEU HA H 118 4.880 4.880 4.468 0.412 17767 5505 1 8 . 1 1 118 118 LEU C C 118 175.200 175.200 174.471 0.729 17767 5506 1 8 . 1 1 118 118 LEU CA C 118 53.570 53.570 53.567 0.003 17767 5507 1 8 . 1 1 118 118 LEU CB C 118 44.730 44.730 42.722 2.008 17767 5508 1 8 . 1 1 118 118 LEU H H 118 9.700 9.700 8.240 1.460 17767 5509 1 8 . 1 1 119 119 ILE N N 119 124.980 124.980 129.158 -4.178 17767 5510 1 8 . 1 1 119 119 ILE HA H 119 5.240 5.240 4.268 0.972 17767 5511 1 8 . 1 1 119 119 ILE C C 119 175.900 175.900 174.862 1.038 17767 5512 1 8 . 1 1 119 119 ILE CA C 119 59.340 59.340 60.613 -1.273 17767 5513 1 8 . 1 1 119 119 ILE CB C 119 39.550 39.550 38.212 1.338 17767 5514 1 8 . 1 1 119 119 ILE H H 119 7.800 7.800 8.147 -0.347 17767 5515 1 8 . 1 1 120 120 ARG N N 120 126.110 126.110 126.198 -0.088 17767 5516 1 8 . 1 1 120 120 ARG HA H 120 5.040 5.040 5.017 0.023 17767 5517 1 8 . 1 1 120 120 ARG C C 120 175.300 175.300 175.327 -0.027 17767 5518 1 8 . 1 1 120 120 ARG CA C 120 54.990 54.990 53.277 1.713 17767 5519 1 8 . 1 1 120 120 ARG CB C 120 34.760 34.760 32.998 1.762 17767 5520 1 8 . 1 1 120 120 ARG H H 120 9.400 9.400 7.730 1.670 17767 5521 1 8 . 1 1 121 121 ARG N N 121 126.600 126.600 119.146 7.454 17767 5522 1 8 . 1 1 121 121 ARG HA H 121 5.350 5.350 4.576 0.774 17767 5523 1 8 . 1 1 121 121 ARG C C 121 175.020 175.020 174.588 0.432 17767 5524 1 8 . 1 1 121 121 ARG CA C 121 55.250 55.250 55.702 -0.452 17767 5525 1 8 . 1 1 121 121 ARG CB C 121 31.830 31.830 32.988 -1.158 17767 5526 1 8 . 1 1 121 121 ARG H H 121 9.110 9.110 8.509 0.601 17767 5527 1 8 . 1 1 122 122 SER N N 122 118.200 118.200 118.935 -0.735 17767 5528 1 8 . 1 1 122 122 SER HA H 122 5.730 5.730 5.710 0.020 17767 5529 1 8 . 1 1 122 122 SER C C 122 173.010 173.010 172.997 0.013 17767 5530 1 8 . 1 1 122 122 SER CA C 122 58.100 58.100 56.386 1.714 17767 5531 1 8 . 1 1 122 122 SER CB C 122 66.850 66.850 65.685 1.165 17767 5532 1 8 . 1 1 122 122 SER H H 122 9.290 9.290 9.243 0.047 17767 5533 1 8 . 1 1 123 123 LYS N N 123 120.480 120.480 123.112 -2.632 17767 5534 1 8 . 1 1 123 123 LYS HA H 123 5.780 5.780 5.142 0.638 17767 5535 1 8 . 1 1 123 123 LYS C C 123 175.600 175.600 175.597 0.003 17767 5536 1 8 . 1 1 123 123 LYS CA C 123 54.130 54.130 54.762 -0.632 17767 5537 1 8 . 1 1 123 123 LYS CB C 123 36.330 36.330 35.918 0.412 17767 5538 1 8 . 1 1 123 123 LYS H H 123 8.650 8.650 9.138 -0.488 17767 5539 1 8 . 1 1 124 124 ARG N N 124 124.980 124.980 124.277 0.703 17767 5540 1 8 . 1 1 124 124 ARG HA H 124 3.940 3.940 4.912 -0.972 17767 5541 1 8 . 1 1 124 124 ARG C C 124 176.500 176.500 175.750 0.750 17767 5542 1 8 . 1 1 124 124 ARG CA C 124 56.900 56.900 57.470 -0.570 17767 5543 1 8 . 1 1 124 124 ARG CB C 124 30.380 30.380 31.030 -0.650 17767 5544 1 8 . 1 1 124 124 ARG H H 124 8.200 8.200 8.944 -0.744 17767 5545 1 9 . 1 1 2 2 PHE HA H 2 4.460 4.460 4.787 -0.327 17767 5546 1 9 . 1 1 2 2 PHE C C 2 175.900 175.900 175.895 0.005 17767 5547 1 9 . 1 1 2 2 PHE CA C 2 61.170 61.170 59.818 1.352 17767 5548 1 9 . 1 1 2 2 PHE CB C 2 40.690 40.690 39.723 0.967 17767 5549 1 9 . 1 1 3 3 SER N N 3 111.380 111.380 114.778 -3.398 17767 5550 1 9 . 1 1 3 3 SER HA H 3 4.420 4.420 4.403 0.017 17767 5551 1 9 . 1 1 3 3 SER C C 3 174.700 174.700 174.705 -0.005 17767 5552 1 9 . 1 1 3 3 SER CA C 3 60.000 60.000 59.157 0.842 17767 5553 1 9 . 1 1 3 3 SER CB C 3 64.140 64.140 62.288 1.852 17767 5554 1 9 . 1 1 3 3 SER H H 3 7.968 7.968 8.059 -0.091 17767 5555 1 9 . 1 1 4 4 GLY N N 4 111.480 111.480 112.432 -0.952 17767 5556 1 9 . 1 1 4 4 GLY C C 4 171.800 171.800 171.598 0.202 17767 5557 1 9 . 1 1 4 4 GLY CA C 4 44.150 44.150 45.458 -1.308 17767 5558 1 9 . 1 1 4 4 GLY H H 4 9.080 9.080 8.477 0.603 17767 5559 1 9 . 1 1 5 5 THR N N 5 117.770 117.770 113.706 4.064 17767 5560 1 9 . 1 1 5 5 THR HA H 5 4.980 4.980 5.051 -0.071 17767 5561 1 9 . 1 1 5 5 THR C C 5 173.190 173.190 172.697 0.493 17767 5562 1 9 . 1 1 5 5 THR CA C 5 62.930 62.930 60.391 2.539 17767 5563 1 9 . 1 1 5 5 THR CB C 5 69.310 69.310 70.359 -1.049 17767 5564 1 9 . 1 1 5 5 THR H H 5 8.270 8.270 7.655 0.615 17767 5565 1 9 . 1 1 6 6 TRP N N 6 127.500 127.500 125.199 2.301 17767 5566 1 9 . 1 1 6 6 TRP HA H 6 5.130 5.130 5.420 -0.290 17767 5567 1 9 . 1 1 6 6 TRP CA C 6 55.300 55.300 55.313 -0.013 17767 5568 1 9 . 1 1 6 6 TRP CB C 6 32.290 32.290 31.808 0.482 17767 5569 1 9 . 1 1 6 6 TRP H H 6 9.560 9.560 8.996 0.564 17767 5570 1 9 . 1 1 7 7 GLN HA H 7 4.970 4.970 4.789 0.181 17767 5571 1 9 . 1 1 7 7 GLN C C 7 175.900 175.900 175.068 0.832 17767 5572 1 9 . 1 1 7 7 GLN CA C 7 54.720 54.720 54.305 0.415 17767 5573 1 9 . 1 1 7 7 GLN CB C 7 32.400 32.400 31.073 1.327 17767 5574 1 9 . 1 1 8 8 VAL N N 8 131.400 131.400 128.093 3.307 17767 5575 1 9 . 1 1 8 8 VAL HA H 8 4.450 4.450 4.021 0.429 17767 5576 1 9 . 1 1 8 8 VAL CA C 8 63.500 63.500 62.605 0.895 17767 5577 1 9 . 1 1 8 8 VAL CB C 8 32.300 32.300 31.007 1.293 17767 5578 1 9 . 1 1 8 8 VAL H H 8 8.270 8.270 8.563 -0.293 17767 5579 1 9 . 1 1 9 9 TYR N N 9 123.300 123.300 122.541 0.759 17767 5580 1 9 . 1 1 9 9 TYR HA H 9 5.140 5.140 4.813 0.327 17767 5581 1 9 . 1 1 9 9 TYR C C 9 174.600 174.600 174.433 0.167 17767 5582 1 9 . 1 1 9 9 TYR CA C 9 56.600 56.600 56.629 -0.029 17767 5583 1 9 . 1 1 9 9 TYR CB C 9 40.880 40.880 39.340 1.540 17767 5584 1 9 . 1 1 9 9 TYR H H 9 9.570 9.570 8.742 0.828 17767 5585 1 9 . 1 1 10 10 ALA N N 10 125.800 125.800 120.917 4.883 17767 5586 1 9 . 1 1 10 10 ALA HA H 10 4.680 4.680 4.845 -0.165 17767 5587 1 9 . 1 1 10 10 ALA C C 10 175.200 175.200 174.924 0.276 17767 5588 1 9 . 1 1 10 10 ALA CA C 10 51.780 51.780 51.468 0.312 17767 5589 1 9 . 1 1 10 10 ALA CB C 10 22.070 22.070 21.804 0.266 17767 5590 1 9 . 1 1 10 10 ALA H H 10 7.330 7.330 7.212 0.118 17767 5591 1 9 . 1 1 11 11 GLN N N 11 118.300 118.300 119.722 -1.422 17767 5592 1 9 . 1 1 11 11 GLN HA H 11 5.370 5.370 4.965 0.405 17767 5593 1 9 . 1 1 11 11 GLN C C 11 174.700 174.700 174.723 -0.023 17767 5594 1 9 . 1 1 11 11 GLN CA C 11 54.460 54.460 54.766 -0.306 17767 5595 1 9 . 1 1 11 11 GLN CB C 11 32.870 32.870 30.720 2.150 17767 5596 1 9 . 1 1 11 11 GLN H H 11 8.700 8.700 8.514 0.186 17767 5597 1 9 . 1 1 12 12 GLU N N 12 123.800 123.800 126.280 -2.480 17767 5598 1 9 . 1 1 12 12 GLU HA H 12 4.600 4.600 4.444 0.156 17767 5599 1 9 . 1 1 12 12 GLU C C 12 175.700 175.700 176.995 -1.295 17767 5600 1 9 . 1 1 12 12 GLU CA C 12 55.300 55.300 55.768 -0.468 17767 5601 1 9 . 1 1 12 12 GLU CB C 12 31.760 31.760 31.021 0.739 17767 5602 1 9 . 1 1 12 12 GLU H H 12 9.130 9.130 8.852 0.278 17767 5603 1 9 . 1 1 13 13 ASN N N 13 117.550 117.550 118.224 -0.674 17767 5604 1 9 . 1 1 13 13 ASN HA H 13 4.790 4.790 4.383 0.407 17767 5605 1 9 . 1 1 13 13 ASN C C 13 175.600 175.600 176.179 -0.579 17767 5606 1 9 . 1 1 13 13 ASN CA C 13 54.100 54.100 54.967 -0.867 17767 5607 1 9 . 1 1 13 13 ASN CB C 13 37.100 37.100 36.922 0.178 17767 5608 1 9 . 1 1 13 13 ASN H H 13 9.130 9.130 8.999 0.131 17767 5609 1 9 . 1 1 14 14 TYR N N 14 118.280 118.280 120.403 -2.123 17767 5610 1 9 . 1 1 14 14 TYR HA H 14 4.360 4.360 4.144 0.216 17767 5611 1 9 . 1 1 14 14 TYR C C 14 176.500 176.500 176.804 -0.304 17767 5612 1 9 . 1 1 14 14 TYR CA C 14 60.590 60.590 62.684 -2.094 17767 5613 1 9 . 1 1 14 14 TYR CB C 14 39.450 39.450 38.599 0.852 17767 5614 1 9 . 1 1 14 14 TYR H H 14 7.900 7.900 7.538 0.362 17767 5615 1 9 . 1 1 15 15 GLU N N 15 118.600 118.600 116.846 1.754 17767 5616 1 9 . 1 1 15 15 GLU HA H 15 3.550 3.550 3.973 -0.423 17767 5617 1 9 . 1 1 15 15 GLU C C 15 178.500 178.500 178.692 -0.192 17767 5618 1 9 . 1 1 15 15 GLU CA C 15 61.170 61.170 59.637 1.533 17767 5619 1 9 . 1 1 15 15 GLU CB C 15 28.700 28.700 28.300 0.400 17767 5620 1 9 . 1 1 15 15 GLU H H 15 8.960 8.960 9.230 -0.270 17767 5621 1 9 . 1 1 16 16 GLU N N 16 118.800 118.800 118.966 -0.166 17767 5622 1 9 . 1 1 16 16 GLU HA H 16 3.880 3.880 4.190 -0.310 17767 5623 1 9 . 1 1 16 16 GLU C C 16 178.600 178.600 178.645 -0.045 17767 5624 1 9 . 1 1 16 16 GLU CA C 16 60.300 60.300 58.637 1.663 17767 5625 1 9 . 1 1 16 16 GLU CB C 16 28.600 28.600 29.263 -0.663 17767 5626 1 9 . 1 1 16 16 GLU H H 16 9.090 9.090 8.523 0.567 17767 5627 1 9 . 1 1 17 17 PHE N N 17 124.200 124.200 121.580 2.620 17767 5628 1 9 . 1 1 17 17 PHE HA H 17 3.960 3.960 4.208 -0.248 17767 5629 1 9 . 1 1 17 17 PHE C C 17 176.400 176.400 176.906 -0.506 17767 5630 1 9 . 1 1 17 17 PHE CA C 17 62.350 62.350 59.561 2.789 17767 5631 1 9 . 1 1 17 17 PHE CB C 17 40.380 40.380 38.883 1.497 17767 5632 1 9 . 1 1 17 17 PHE H H 17 8.410 8.410 7.967 0.443 17767 5633 1 9 . 1 1 18 18 LEU N N 18 116.400 116.400 118.053 -1.653 17767 5634 1 9 . 1 1 18 18 LEU HA H 18 3.780 3.780 3.445 0.335 17767 5635 1 9 . 1 1 18 18 LEU C C 18 178.800 178.800 178.618 0.182 17767 5636 1 9 . 1 1 18 18 LEU CA C 18 58.240 58.240 57.896 0.344 17767 5637 1 9 . 1 1 18 18 LEU CB C 18 41.220 41.220 41.062 0.158 17767 5638 1 9 . 1 1 18 18 LEU H H 18 8.200 8.200 7.829 0.371 17767 5639 1 9 . 1 1 19 19 LYS N N 19 116.590 116.590 117.874 -1.284 17767 5640 1 9 . 1 1 19 19 LYS HA H 19 4.040 4.040 4.059 -0.019 17767 5641 1 9 . 1 1 19 19 LYS C C 19 179.800 179.800 179.226 0.574 17767 5642 1 9 . 1 1 19 19 LYS CA C 19 58.820 58.820 58.984 -0.164 17767 5643 1 9 . 1 1 19 19 LYS CB C 19 32.150 32.150 32.041 0.109 17767 5644 1 9 . 1 1 19 19 LYS H H 19 7.790 7.790 7.477 0.313 17767 5645 1 9 . 1 1 20 20 ALA N N 20 126.110 126.110 121.207 4.903 17767 5646 1 9 . 1 1 20 20 ALA HA H 20 4.160 4.160 4.257 -0.097 17767 5647 1 9 . 1 1 20 20 ALA C C 20 178.600 178.600 178.386 0.214 17767 5648 1 9 . 1 1 20 20 ALA CA C 20 55.300 55.300 54.021 1.279 17767 5649 1 9 . 1 1 20 20 ALA CB C 20 17.700 17.700 18.605 -0.905 17767 5650 1 9 . 1 1 20 20 ALA H H 20 7.990 7.990 7.176 0.814 17767 5651 1 9 . 1 1 21 21 LEU N N 21 117.110 117.110 116.981 0.129 17767 5652 1 9 . 1 1 21 21 LEU HA H 21 3.688 3.688 4.339 -0.651 17767 5653 1 9 . 1 1 21 21 LEU C C 21 176.100 176.100 175.773 0.327 17767 5654 1 9 . 1 1 21 21 LEU CA C 21 55.400 55.400 53.751 1.649 17767 5655 1 9 . 1 1 21 21 LEU CB C 21 42.700 42.700 41.399 1.301 17767 5656 1 9 . 1 1 21 21 LEU H H 21 7.380 7.380 7.132 0.248 17767 5657 1 9 . 1 1 22 22 ALA N N 22 118.800 118.800 118.902 -0.102 17767 5658 1 9 . 1 1 22 22 ALA HA H 22 3.985 3.985 3.943 0.042 17767 5659 1 9 . 1 1 22 22 ALA C C 22 177.000 177.000 176.766 0.234 17767 5660 1 9 . 1 1 22 22 ALA CA C 22 52.370 52.370 52.475 -0.105 17767 5661 1 9 . 1 1 22 22 ALA CB C 22 15.960 15.960 16.848 -0.887 17767 5662 1 9 . 1 1 22 22 ALA H H 22 7.920 7.920 7.247 0.673 17767 5663 1 9 . 1 1 23 23 LEU N N 23 118.470 118.470 119.092 -0.622 17767 5664 1 9 . 1 1 23 23 LEU HA H 23 4.425 4.425 4.381 0.044 17767 5665 1 9 . 1 1 23 23 LEU C C 23 174.500 174.500 174.972 -0.472 17767 5666 1 9 . 1 1 23 23 LEU CA C 23 54.130 54.130 52.547 1.583 17767 5667 1 9 . 1 1 23 23 LEU CB C 23 41.220 41.220 41.959 -0.739 17767 5668 1 9 . 1 1 23 23 LEU H H 23 6.950 6.950 7.411 -0.461 17767 5669 1 9 . 1 1 24 24 PRO HA H 24 4.475 4.475 4.430 0.045 17767 5670 1 9 . 1 1 24 24 PRO C C 24 177.500 177.500 177.342 0.158 17767 5671 1 9 . 1 1 24 24 PRO CA C 24 62.940 62.940 63.061 -0.121 17767 5672 1 9 . 1 1 24 24 PRO CB C 24 32.600 32.600 31.954 0.646 17767 5673 1 9 . 1 1 25 25 GLU N N 25 122.500 122.500 123.715 -1.215 17767 5674 1 9 . 1 1 25 25 GLU HA H 25 3.860 3.860 3.830 0.030 17767 5675 1 9 . 1 1 25 25 GLU C C 25 177.900 177.900 178.165 -0.265 17767 5676 1 9 . 1 1 25 25 GLU CA C 25 60.100 60.100 59.657 0.443 17767 5677 1 9 . 1 1 25 25 GLU CB C 25 29.690 29.690 29.419 0.271 17767 5678 1 9 . 1 1 25 25 GLU H H 25 8.840 8.840 8.813 0.027 17767 5679 1 9 . 1 1 26 26 ASP N N 26 117.110 117.110 118.582 -1.472 17767 5680 1 9 . 1 1 26 26 ASP HA H 26 4.360 4.360 4.480 -0.120 17767 5681 1 9 . 1 1 26 26 ASP C C 26 177.900 177.900 178.397 -0.497 17767 5682 1 9 . 1 1 26 26 ASP CA C 26 57.080 57.080 56.508 0.572 17767 5683 1 9 . 1 1 26 26 ASP CB C 26 40.040 40.040 40.598 -0.558 17767 5684 1 9 . 1 1 26 26 ASP H H 26 8.920 8.920 8.217 0.703 17767 5685 1 9 . 1 1 27 27 LEU N N 27 121.990 121.990 121.748 0.242 17767 5686 1 9 . 1 1 27 27 LEU HA H 27 4.270 4.270 4.175 0.095 17767 5687 1 9 . 1 1 27 27 LEU C C 27 178.070 178.070 178.316 -0.246 17767 5688 1 9 . 1 1 27 27 LEU CA C 27 57.650 57.650 56.872 0.778 17767 5689 1 9 . 1 1 27 27 LEU CB C 27 42.230 42.230 42.255 -0.025 17767 5690 1 9 . 1 1 27 27 LEU H H 27 7.220 7.220 7.702 -0.482 17767 5691 1 9 . 1 1 28 28 ILE N N 28 120.350 120.350 118.561 1.789 17767 5692 1 9 . 1 1 28 28 ILE HA H 28 3.317 3.317 3.711 -0.394 17767 5693 1 9 . 1 1 28 28 ILE C C 28 177.400 177.400 178.287 -0.887 17767 5694 1 9 . 1 1 28 28 ILE CA C 28 67.040 67.040 63.704 3.336 17767 5695 1 9 . 1 1 28 28 ILE CB C 28 37.110 37.110 36.279 0.831 17767 5696 1 9 . 1 1 28 28 ILE H H 28 7.900 7.900 7.764 0.136 17767 5697 1 9 . 1 1 29 29 LYS N N 29 117.110 117.110 119.236 -2.126 17767 5698 1 9 . 1 1 29 29 LYS HA H 29 3.947 3.947 4.178 -0.231 17767 5699 1 9 . 1 1 29 29 LYS C C 29 178.900 178.900 178.288 0.612 17767 5700 1 9 . 1 1 29 29 LYS CA C 29 60.000 60.000 58.880 1.120 17767 5701 1 9 . 1 1 29 29 LYS CB C 29 32.390 32.390 32.509 -0.119 17767 5702 1 9 . 1 1 29 29 LYS H H 29 7.850 7.850 7.648 0.202 17767 5703 1 9 . 1 1 30 30 MET N N 30 117.110 117.110 118.225 -1.115 17767 5704 1 9 . 1 1 30 30 MET HA H 30 4.320 4.320 4.368 -0.048 17767 5705 1 9 . 1 1 30 30 MET C C 30 177.500 177.500 178.579 -1.079 17767 5706 1 9 . 1 1 30 30 MET CA C 30 57.650 57.650 58.014 -0.364 17767 5707 1 9 . 1 1 30 30 MET CB C 30 32.970 32.970 33.059 -0.089 17767 5708 1 9 . 1 1 30 30 MET H H 30 7.450 7.450 7.409 0.041 17767 5709 1 9 . 1 1 31 31 ALA N N 31 120.480 120.480 122.340 -1.860 17767 5710 1 9 . 1 1 31 31 ALA HA H 31 4.270 4.270 4.122 0.148 17767 5711 1 9 . 1 1 31 31 ALA CA C 31 53.545 53.545 55.004 -1.459 17767 5712 1 9 . 1 1 31 31 ALA CB C 31 19.290 19.290 18.593 0.697 17767 5713 1 9 . 1 1 31 31 ALA H H 31 8.420 8.420 8.798 -0.378 17767 5714 1 9 . 1 1 32 32 ARG N N 32 122.170 122.170 114.918 7.252 17767 5715 1 9 . 1 1 32 32 ARG HA H 32 4.109 4.109 4.019 0.090 17767 5716 1 9 . 1 1 32 32 ARG C C 32 176.500 176.500 176.683 -0.183 17767 5717 1 9 . 1 1 32 32 ARG CA C 32 61.170 61.170 58.266 2.904 17767 5718 1 9 . 1 1 32 32 ARG CB C 32 30.600 30.600 29.918 0.683 17767 5719 1 9 . 1 1 32 32 ARG H H 32 7.770 7.770 7.610 0.160 17767 5720 1 9 . 1 1 33 33 ASP N N 33 116.550 116.550 117.623 -1.073 17767 5721 1 9 . 1 1 33 33 ASP HA H 33 4.920 4.920 4.683 0.237 17767 5722 1 9 . 1 1 33 33 ASP C C 33 175.900 175.900 176.235 -0.335 17767 5723 1 9 . 1 1 33 33 ASP CA C 33 54.130 54.130 54.215 -0.085 17767 5724 1 9 . 1 1 33 33 ASP CB C 33 41.760 41.760 43.085 -1.325 17767 5725 1 9 . 1 1 33 33 ASP H H 33 8.330 8.330 7.858 0.472 17767 5726 1 9 . 1 1 34 34 ILE N N 34 120.060 120.060 122.932 -2.872 17767 5727 1 9 . 1 1 34 34 ILE HA H 34 4.120 4.120 3.881 0.239 17767 5728 1 9 . 1 1 34 34 ILE C C 34 176.100 176.100 175.031 1.069 17767 5729 1 9 . 1 1 34 34 ILE CA C 34 61.170 61.170 62.373 -1.203 17767 5730 1 9 . 1 1 34 34 ILE CB C 34 37.860 37.860 36.942 0.918 17767 5731 1 9 . 1 1 34 34 ILE H H 34 7.240 7.240 7.768 -0.528 17767 5732 1 9 . 1 1 35 35 LYS N N 35 131.170 131.170 127.730 3.440 17767 5733 1 9 . 1 1 35 35 LYS HA H 35 4.700 4.700 4.773 -0.073 17767 5734 1 9 . 1 1 35 35 LYS C C 35 173.700 173.700 174.538 -0.838 17767 5735 1 9 . 1 1 35 35 LYS CA C 35 52.970 52.970 54.292 -1.322 17767 5736 1 9 . 1 1 35 35 LYS CB C 35 32.750 32.750 32.734 0.016 17767 5737 1 9 . 1 1 35 35 LYS H H 35 8.980 8.980 8.073 0.907 17767 5738 1 9 . 1 1 36 36 PRO HA H 36 4.510 4.510 4.527 -0.017 17767 5739 1 9 . 1 1 36 36 PRO CA C 36 63.523 63.523 61.857 1.666 17767 5740 1 9 . 1 1 36 36 PRO CB C 36 32.840 32.840 33.207 -0.367 17767 5741 1 9 . 1 1 37 37 ILE HA H 37 4.920 4.920 4.363 0.557 17767 5742 1 9 . 1 1 37 37 ILE C C 37 175.500 175.500 175.243 0.257 17767 5743 1 9 . 1 1 37 37 ILE CA C 37 60.588 60.588 59.108 1.480 17767 5744 1 9 . 1 1 37 37 ILE CB C 37 40.630 40.630 40.037 0.593 17767 5745 1 9 . 1 1 38 38 VAL N N 38 129.000 129.000 129.224 -0.224 17767 5746 1 9 . 1 1 38 38 VAL HA H 38 5.120 5.120 4.221 0.899 17767 5747 1 9 . 1 1 38 38 VAL C C 38 175.100 175.100 174.937 0.163 17767 5748 1 9 . 1 1 38 38 VAL CA C 38 61.176 61.176 61.971 -0.795 17767 5749 1 9 . 1 1 38 38 VAL CB C 38 34.850 34.850 32.056 2.794 17767 5750 1 9 . 1 1 38 38 VAL H H 38 9.540 9.540 9.139 0.401 17767 5751 1 9 . 1 1 39 39 GLU N N 39 128.350 128.350 129.554 -1.204 17767 5752 1 9 . 1 1 39 39 GLU HA H 39 5.440 5.440 4.595 0.845 17767 5753 1 9 . 1 1 39 39 GLU C C 39 176.000 176.000 174.665 1.335 17767 5754 1 9 . 1 1 39 39 GLU CA C 39 54.720 54.720 56.472 -1.752 17767 5755 1 9 . 1 1 39 39 GLU CB C 39 32.410 32.410 30.933 1.477 17767 5756 1 9 . 1 1 39 39 GLU H H 39 9.590 9.590 8.312 1.278 17767 5757 1 9 . 1 1 40 40 ILE N N 40 126.110 126.110 127.079 -0.969 17767 5758 1 9 . 1 1 40 40 ILE HA H 40 5.050 5.050 5.103 -0.053 17767 5759 1 9 . 1 1 40 40 ILE C C 40 175.800 175.800 173.127 2.673 17767 5760 1 9 . 1 1 40 40 ILE CA C 40 61.330 61.330 58.581 2.749 17767 5761 1 9 . 1 1 40 40 ILE CB C 40 40.160 40.160 41.905 -1.745 17767 5762 1 9 . 1 1 40 40 ILE H H 40 9.630 9.630 8.805 0.825 17767 5763 1 9 . 1 1 41 41 GLN N N 41 128.360 128.360 126.858 1.502 17767 5764 1 9 . 1 1 41 41 GLN HA H 41 4.720 4.720 4.807 -0.087 17767 5765 1 9 . 1 1 41 41 GLN C C 41 173.900 173.900 173.400 0.500 17767 5766 1 9 . 1 1 41 41 GLN CA C 41 54.940 54.940 53.907 1.033 17767 5767 1 9 . 1 1 41 41 GLN CB C 41 31.820 31.820 31.941 -0.121 17767 5768 1 9 . 1 1 41 41 GLN H H 41 9.270 9.270 8.733 0.537 17767 5769 1 9 . 1 1 42 42 GLN N N 42 126.110 126.110 122.533 3.577 17767 5770 1 9 . 1 1 42 42 GLN HA H 42 4.380 4.380 4.703 -0.323 17767 5771 1 9 . 1 1 42 42 GLN C C 42 174.700 174.700 175.332 -0.632 17767 5772 1 9 . 1 1 42 42 GLN CA C 42 54.150 54.150 54.014 0.136 17767 5773 1 9 . 1 1 42 42 GLN CB C 42 30.000 30.000 31.282 -1.282 17767 5774 1 9 . 1 1 42 42 GLN H H 42 8.250 8.250 8.334 -0.084 17767 5775 1 9 . 1 1 43 43 LYS N N 43 130.610 130.610 119.281 11.329 17767 5776 1 9 . 1 1 43 43 LYS HA H 43 4.460 4.460 4.470 -0.010 17767 5777 1 9 . 1 1 43 43 LYS C C 43 176.030 176.030 175.618 0.412 17767 5778 1 9 . 1 1 43 43 LYS CA C 43 55.306 55.306 55.703 -0.397 17767 5779 1 9 . 1 1 43 43 LYS CB C 43 33.270 33.270 33.783 -0.513 17767 5780 1 9 . 1 1 43 43 LYS H H 43 8.820 8.820 8.249 0.571 17767 5781 1 9 . 1 1 44 44 GLY N N 44 117.110 117.110 109.033 8.077 17767 5782 1 9 . 1 1 44 44 GLY C C 44 174.300 174.300 173.712 0.588 17767 5783 1 9 . 1 1 44 44 GLY CA C 44 47.480 47.480 45.638 1.842 17767 5784 1 9 . 1 1 44 44 GLY H H 44 8.940 8.940 8.560 0.380 17767 5785 1 9 . 1 1 45 45 ASP N N 45 127.799 127.799 123.191 4.608 17767 5786 1 9 . 1 1 45 45 ASP HA H 45 4.870 4.870 5.021 -0.151 17767 5787 1 9 . 1 1 45 45 ASP C C 45 174.700 174.700 175.018 -0.318 17767 5788 1 9 . 1 1 45 45 ASP CA C 45 54.719 54.719 54.738 -0.019 17767 5789 1 9 . 1 1 45 45 ASP CB C 45 41.270 41.270 43.166 -1.896 17767 5790 1 9 . 1 1 45 45 ASP H H 45 8.870 8.870 8.573 0.297 17767 5791 1 9 . 1 1 46 46 ASP N N 46 120.480 120.480 122.318 -1.838 17767 5792 1 9 . 1 1 46 46 ASP HA H 46 5.230 5.230 5.383 -0.153 17767 5793 1 9 . 1 1 46 46 ASP C C 46 175.070 175.070 175.019 0.051 17767 5794 1 9 . 1 1 46 46 ASP CA C 46 54.132 54.132 55.648 -1.516 17767 5795 1 9 . 1 1 46 46 ASP CB C 46 41.570 41.570 41.750 -0.180 17767 5796 1 9 . 1 1 46 46 ASP H H 46 8.060 8.060 8.104 -0.044 17767 5797 1 9 . 1 1 47 47 PHE N N 47 122.730 122.730 122.070 0.660 17767 5798 1 9 . 1 1 47 47 PHE HA H 47 5.090 5.090 4.749 0.341 17767 5799 1 9 . 1 1 47 47 PHE C C 47 176.400 176.400 174.549 1.851 17767 5800 1 9 . 1 1 47 47 PHE CA C 47 56.420 56.420 55.538 0.882 17767 5801 1 9 . 1 1 47 47 PHE CB C 47 44.150 44.150 42.382 1.768 17767 5802 1 9 . 1 1 47 47 PHE H H 47 9.296 9.296 9.077 0.219 17767 5803 1 9 . 1 1 48 48 VAL N N 48 121.690 121.690 122.009 -0.319 17767 5804 1 9 . 1 1 48 48 VAL HA H 48 4.500 4.500 4.413 0.087 17767 5805 1 9 . 1 1 48 48 VAL C C 48 175.700 175.700 174.522 1.178 17767 5806 1 9 . 1 1 48 48 VAL CA C 48 62.930 62.930 61.589 1.341 17767 5807 1 9 . 1 1 48 48 VAL CB C 48 34.670 34.670 33.089 1.581 17767 5808 1 9 . 1 1 48 48 VAL H H 48 8.520 8.520 8.830 -0.310 17767 5809 1 9 . 1 1 49 49 VAL N N 49 127.200 127.200 129.551 -2.351 17767 5810 1 9 . 1 1 49 49 VAL HA H 49 5.250 5.250 4.512 0.738 17767 5811 1 9 . 1 1 49 49 VAL C C 49 175.700 175.700 175.440 0.260 17767 5812 1 9 . 1 1 49 49 VAL CA C 49 61.180 61.180 62.084 -0.904 17767 5813 1 9 . 1 1 49 49 VAL CB C 49 34.660 34.660 33.071 1.589 17767 5814 1 9 . 1 1 49 49 VAL H H 49 9.330 9.330 9.326 0.004 17767 5815 1 9 . 1 1 50 50 THR N N 50 128.500 128.500 125.278 3.222 17767 5816 1 9 . 1 1 50 50 THR HA H 50 5.430 5.430 5.046 0.384 17767 5817 1 9 . 1 1 50 50 THR C C 50 173.810 173.810 173.412 0.398 17767 5818 1 9 . 1 1 50 50 THR CA C 50 61.530 61.530 61.255 0.275 17767 5819 1 9 . 1 1 50 50 THR CB C 50 70.760 70.760 69.799 0.961 17767 5820 1 9 . 1 1 50 50 THR H H 50 9.730 9.730 9.311 0.419 17767 5821 1 9 . 1 1 51 51 SER N N 51 122.730 122.730 123.263 -0.533 17767 5822 1 9 . 1 1 51 51 SER HA H 51 5.430 5.430 4.919 0.511 17767 5823 1 9 . 1 1 51 51 SER C C 51 173.800 173.800 173.654 0.146 17767 5824 1 9 . 1 1 51 51 SER CA C 51 57.060 57.060 56.956 0.104 17767 5825 1 9 . 1 1 51 51 SER CB C 51 64.550 64.550 63.916 0.634 17767 5826 1 9 . 1 1 51 51 SER H H 51 9.190 9.190 8.625 0.565 17767 5827 1 9 . 1 1 52 52 LYS N N 52 125.550 125.550 127.551 -2.001 17767 5828 1 9 . 1 1 52 52 LYS HA H 52 5.310 5.310 4.455 0.855 17767 5829 1 9 . 1 1 52 52 LYS C C 52 175.900 175.900 176.275 -0.375 17767 5830 1 9 . 1 1 52 52 LYS CA C 52 56.120 56.120 56.144 -0.024 17767 5831 1 9 . 1 1 52 52 LYS CB C 52 36.130 36.130 33.758 2.372 17767 5832 1 9 . 1 1 52 52 LYS H H 52 9.490 9.490 8.749 0.741 17767 5833 1 9 . 1 1 53 53 THR N N 53 115.980 115.980 113.981 1.999 17767 5834 1 9 . 1 1 53 53 THR HA H 53 5.024 5.024 4.836 0.188 17767 5835 1 9 . 1 1 53 53 THR C C 53 173.400 173.400 173.278 0.122 17767 5836 1 9 . 1 1 53 53 THR CA C 53 59.140 59.140 58.048 1.092 17767 5837 1 9 . 1 1 53 53 THR CB C 53 69.300 69.300 69.894 -0.594 17767 5838 1 9 . 1 1 53 53 THR H H 53 8.760 8.760 8.189 0.571 17767 5839 1 9 . 1 1 54 54 PRO HA H 54 4.350 4.350 4.449 -0.099 17767 5840 1 9 . 1 1 54 54 PRO C C 54 177.200 177.200 176.501 0.699 17767 5841 1 9 . 1 1 54 54 PRO CA C 54 66.458 66.458 64.341 2.117 17767 5842 1 9 . 1 1 54 54 PRO CB C 54 32.400 32.400 31.738 0.662 17767 5843 1 9 . 1 1 55 55 ARG N N 55 111.480 111.480 116.391 -4.911 17767 5844 1 9 . 1 1 55 55 ARG HA H 55 4.510 4.510 4.616 -0.106 17767 5845 1 9 . 1 1 55 55 ARG C C 55 175.800 175.800 175.649 0.151 17767 5846 1 9 . 1 1 55 55 ARG CA C 55 55.893 55.893 56.225 -0.332 17767 5847 1 9 . 1 1 55 55 ARG CB C 55 32.520 32.520 32.934 -0.414 17767 5848 1 9 . 1 1 55 55 ARG H H 55 8.010 8.010 7.598 0.412 17767 5849 1 9 . 1 1 56 56 GLN N N 56 118.230 118.230 118.971 -0.741 17767 5850 1 9 . 1 1 56 56 GLN HA H 56 4.830 4.830 4.534 0.296 17767 5851 1 9 . 1 1 56 56 GLN C C 56 174.200 174.200 174.243 -0.043 17767 5852 1 9 . 1 1 56 56 GLN CA C 56 55.610 55.610 55.417 0.193 17767 5853 1 9 . 1 1 56 56 GLN CB C 56 32.880 32.880 32.019 0.861 17767 5854 1 9 . 1 1 56 56 GLN H H 56 7.530 7.530 8.245 -0.715 17767 5855 1 9 . 1 1 57 57 THR N N 57 120.480 120.480 123.680 -3.200 17767 5856 1 9 . 1 1 57 57 THR HA H 57 5.330 5.330 4.871 0.459 17767 5857 1 9 . 1 1 57 57 THR C C 57 174.000 174.000 174.625 -0.625 17767 5858 1 9 . 1 1 57 57 THR CA C 57 61.760 61.760 62.676 -0.916 17767 5859 1 9 . 1 1 57 57 THR CB C 57 71.500 71.500 69.359 2.141 17767 5860 1 9 . 1 1 57 57 THR H H 57 8.610 8.610 8.520 0.090 17767 5861 1 9 . 1 1 58 58 VAL N N 58 125.200 125.200 124.420 0.780 17767 5862 1 9 . 1 1 58 58 VAL HA H 58 4.540 4.540 4.607 -0.067 17767 5863 1 9 . 1 1 58 58 VAL C C 58 174.400 174.400 174.569 -0.169 17767 5864 1 9 . 1 1 58 58 VAL CA C 58 61.170 61.170 59.627 1.543 17767 5865 1 9 . 1 1 58 58 VAL CB C 58 35.560 35.560 34.072 1.488 17767 5866 1 9 . 1 1 58 58 VAL H H 58 8.830 8.830 8.416 0.414 17767 5867 1 9 . 1 1 59 59 THR N N 59 125.500 125.500 118.410 7.090 17767 5868 1 9 . 1 1 59 59 THR HA H 59 5.260 5.260 5.140 0.120 17767 5869 1 9 . 1 1 59 59 THR C C 59 173.400 173.400 173.755 -0.355 17767 5870 1 9 . 1 1 59 59 THR CA C 59 61.980 61.980 61.443 0.537 17767 5871 1 9 . 1 1 59 59 THR CB C 59 71.150 71.150 70.945 0.205 17767 5872 1 9 . 1 1 59 59 THR H H 59 8.870 8.870 8.269 0.601 17767 5873 1 9 . 1 1 60 60 ASN N N 60 124.700 124.700 126.044 -1.344 17767 5874 1 9 . 1 1 60 60 ASN HA H 60 5.270 5.270 5.032 0.238 17767 5875 1 9 . 1 1 60 60 ASN C C 60 173.300 173.300 173.574 -0.274 17767 5876 1 9 . 1 1 60 60 ASN CA C 60 53.000 53.000 52.801 0.199 17767 5877 1 9 . 1 1 60 60 ASN CB C 60 44.700 44.700 41.933 2.767 17767 5878 1 9 . 1 1 60 60 ASN H H 60 9.180 9.180 9.249 -0.069 17767 5879 1 9 . 1 1 61 61 SER N N 61 115.980 115.980 119.344 -3.364 17767 5880 1 9 . 1 1 61 61 SER HA H 61 5.430 5.430 5.488 -0.058 17767 5881 1 9 . 1 1 61 61 SER C C 61 173.300 173.300 173.239 0.061 17767 5882 1 9 . 1 1 61 61 SER CA C 61 57.060 57.060 56.988 0.072 17767 5883 1 9 . 1 1 61 61 SER CB C 61 65.590 65.590 66.003 -0.413 17767 5884 1 9 . 1 1 61 61 SER H H 61 8.840 8.840 8.661 0.179 17767 5885 1 9 . 1 1 62 62 PHE N N 62 117.670 117.670 118.502 -0.832 17767 5886 1 9 . 1 1 62 62 PHE HA H 62 5.020 5.020 4.941 0.079 17767 5887 1 9 . 1 1 62 62 PHE C C 62 173.100 173.100 173.205 -0.105 17767 5888 1 9 . 1 1 62 62 PHE CA C 62 56.590 56.590 56.525 0.065 17767 5889 1 9 . 1 1 62 62 PHE CB C 62 40.030 40.030 40.111 -0.081 17767 5890 1 9 . 1 1 62 62 PHE H H 62 8.235 8.235 8.528 -0.293 17767 5891 1 9 . 1 1 63 63 THR N N 63 119.920 119.920 115.793 4.127 17767 5892 1 9 . 1 1 63 63 THR HA H 63 5.500 5.500 5.100 0.400 17767 5893 1 9 . 1 1 63 63 THR C C 63 175.600 175.600 174.432 1.168 17767 5894 1 9 . 1 1 63 63 THR CA C 63 61.170 61.170 61.293 -0.123 17767 5895 1 9 . 1 1 63 63 THR CB C 63 72.320 72.320 71.264 1.056 17767 5896 1 9 . 1 1 63 63 THR H H 63 9.650 9.650 8.663 0.987 17767 5897 1 9 . 1 1 64 64 LEU N N 64 126.300 126.300 127.330 -1.030 17767 5898 1 9 . 1 1 64 64 LEU HA H 64 4.430 4.430 3.868 0.562 17767 5899 1 9 . 1 1 64 64 LEU C C 64 178.000 178.000 178.499 -0.499 17767 5900 1 9 . 1 1 64 64 LEU CA C 64 56.100 56.100 56.349 -0.249 17767 5901 1 9 . 1 1 64 64 LEU CB C 64 41.330 41.330 40.633 0.697 17767 5902 1 9 . 1 1 64 64 LEU H H 64 9.280 9.280 9.022 0.258 17767 5903 1 9 . 1 1 65 65 GLY N N 65 107.520 107.520 112.668 -5.148 17767 5904 1 9 . 1 1 65 65 GLY C C 65 173.800 173.800 173.319 0.481 17767 5905 1 9 . 1 1 65 65 GLY CA C 65 45.780 45.780 44.987 0.793 17767 5906 1 9 . 1 1 65 65 GLY H H 65 9.110 9.110 9.218 -0.108 17767 5907 1 9 . 1 1 66 66 LYS N N 66 121.600 121.600 121.131 0.469 17767 5908 1 9 . 1 1 66 66 LYS HA H 66 4.780 4.780 4.568 0.212 17767 5909 1 9 . 1 1 66 66 LYS C C 66 175.600 175.600 174.909 0.691 17767 5910 1 9 . 1 1 66 66 LYS CA C 66 54.100 54.100 54.727 -0.627 17767 5911 1 9 . 1 1 66 66 LYS CB C 66 34.620 34.620 35.338 -0.718 17767 5912 1 9 . 1 1 66 66 LYS H H 66 7.910 7.910 7.892 0.018 17767 5913 1 9 . 1 1 67 67 GLU N N 67 129.400 129.400 126.190 3.210 17767 5914 1 9 . 1 1 67 67 GLU HA H 67 4.070 4.070 4.154 -0.084 17767 5915 1 9 . 1 1 67 67 GLU C C 67 175.030 175.030 175.367 -0.337 17767 5916 1 9 . 1 1 67 67 GLU CA C 67 59.220 59.220 56.545 2.675 17767 5917 1 9 . 1 1 67 67 GLU CB C 67 30.400 30.400 30.115 0.285 17767 5918 1 9 . 1 1 67 67 GLU H H 67 8.940 8.940 8.701 0.239 17767 5919 1 9 . 1 1 68 68 ALA N N 68 130.940 130.940 129.895 1.045 17767 5920 1 9 . 1 1 68 68 ALA HA H 68 4.900 4.900 4.680 0.220 17767 5921 1 9 . 1 1 68 68 ALA C C 68 176.000 176.000 175.459 0.541 17767 5922 1 9 . 1 1 68 68 ALA CA C 68 51.000 51.000 50.692 0.308 17767 5923 1 9 . 1 1 68 68 ALA CB C 68 22.440 22.440 22.264 0.176 17767 5924 1 9 . 1 1 68 68 ALA H H 68 8.660 8.660 8.063 0.597 17767 5925 1 9 . 1 1 69 69 ASP N N 69 120.500 120.500 123.060 -2.560 17767 5926 1 9 . 1 1 69 69 ASP HA H 69 5.000 5.000 4.946 0.054 17767 5927 1 9 . 1 1 69 69 ASP C C 69 174.400 174.400 176.194 -1.794 17767 5928 1 9 . 1 1 69 69 ASP CA C 69 54.670 54.670 54.436 0.234 17767 5929 1 9 . 1 1 69 69 ASP CB C 69 41.930 41.930 41.249 0.681 17767 5930 1 9 . 1 1 69 69 ASP H H 69 8.330 8.330 8.534 -0.204 17767 5931 1 9 . 1 1 70 70 ILE N N 70 125.540 125.540 121.856 3.684 17767 5932 1 9 . 1 1 70 70 ILE HA H 70 4.510 4.510 4.649 -0.139 17767 5933 1 9 . 1 1 70 70 ILE C C 70 175.300 175.300 174.344 0.956 17767 5934 1 9 . 1 1 70 70 ILE CA C 70 57.690 57.690 59.048 -1.358 17767 5935 1 9 . 1 1 70 70 ILE CB C 70 40.040 40.040 40.790 -0.750 17767 5936 1 9 . 1 1 70 70 ILE H H 70 8.850 8.850 9.075 -0.225 17767 5937 1 9 . 1 1 71 71 THR N N 71 123.860 123.860 117.669 6.191 17767 5938 1 9 . 1 1 71 71 THR HA H 71 5.240 5.240 5.039 0.201 17767 5939 1 9 . 1 1 71 71 THR C C 71 174.600 174.600 174.675 -0.075 17767 5940 1 9 . 1 1 71 71 THR CA C 71 61.610 61.610 61.803 -0.193 17767 5941 1 9 . 1 1 71 71 THR CB C 71 70.370 70.370 69.971 0.399 17767 5942 1 9 . 1 1 71 71 THR H H 71 9.460 9.460 8.579 0.881 17767 5943 1 9 . 1 1 72 72 THR N N 72 115.980 115.980 121.227 -5.247 17767 5944 1 9 . 1 1 72 72 THR HA H 72 4.550 4.550 4.430 0.120 17767 5945 1 9 . 1 1 72 72 THR C C 72 177.300 177.300 176.456 0.844 17767 5946 1 9 . 1 1 72 72 THR CA C 72 60.550 60.550 60.759 -0.209 17767 5947 1 9 . 1 1 72 72 THR CB C 72 70.710 70.710 70.497 0.213 17767 5948 1 9 . 1 1 72 72 THR H H 72 8.700 8.700 8.125 0.575 17767 5949 1 9 . 1 1 73 73 MET N N 73 119.830 119.830 125.812 -5.982 17767 5950 1 9 . 1 1 73 73 MET HA H 73 4.110 4.110 4.314 -0.204 17767 5951 1 9 . 1 1 73 73 MET C C 73 176.200 176.200 176.349 -0.149 17767 5952 1 9 . 1 1 73 73 MET CA C 73 58.900 58.900 57.834 1.065 17767 5953 1 9 . 1 1 73 73 MET CB C 73 34.760 34.760 32.600 2.160 17767 5954 1 9 . 1 1 73 73 MET H H 73 10.360 10.360 8.833 1.527 17767 5955 1 9 . 1 1 74 74 ASP N N 74 112.220 112.220 117.040 -4.820 17767 5956 1 9 . 1 1 74 74 ASP HA H 74 4.800 4.800 4.551 0.249 17767 5957 1 9 . 1 1 74 74 ASP C C 74 175.600 175.600 177.157 -1.557 17767 5958 1 9 . 1 1 74 74 ASP CA C 74 52.630 52.630 53.802 -1.172 17767 5959 1 9 . 1 1 74 74 ASP CB C 74 38.870 38.870 40.907 -2.037 17767 5960 1 9 . 1 1 74 74 ASP H H 74 8.680 8.680 7.690 0.990 17767 5961 1 9 . 1 1 75 75 GLY N N 75 108.040 108.040 107.973 0.067 17767 5962 1 9 . 1 1 75 75 GLY C C 75 175.000 175.000 173.822 1.178 17767 5963 1 9 . 1 1 75 75 GLY CA C 75 46.400 46.400 44.996 1.404 17767 5964 1 9 . 1 1 75 75 GLY H H 75 7.600 7.600 7.951 -0.351 17767 5965 1 9 . 1 1 76 76 LYS N N 76 120.500 120.500 120.002 0.498 17767 5966 1 9 . 1 1 76 76 LYS HA H 76 4.440 4.440 4.502 -0.062 17767 5967 1 9 . 1 1 76 76 LYS C C 76 175.400 175.400 175.566 -0.166 17767 5968 1 9 . 1 1 76 76 LYS CA C 76 55.240 55.240 54.927 0.313 17767 5969 1 9 . 1 1 76 76 LYS CB C 76 33.500 33.500 34.918 -1.418 17767 5970 1 9 . 1 1 76 76 LYS H H 76 8.260 8.260 7.616 0.644 17767 5971 1 9 . 1 1 77 77 LYS N N 77 119.300 119.300 122.778 -3.478 17767 5972 1 9 . 1 1 77 77 LYS HA H 77 5.370 5.370 4.666 0.704 17767 5973 1 9 . 1 1 77 77 LYS C C 77 176.100 176.100 176.118 -0.018 17767 5974 1 9 . 1 1 77 77 LYS CA C 77 54.360 54.360 55.126 -0.766 17767 5975 1 9 . 1 1 77 77 LYS CB C 77 32.840 32.840 31.740 1.100 17767 5976 1 9 . 1 1 77 77 LYS H H 77 8.130 8.130 8.397 -0.267 17767 5977 1 9 . 1 1 78 78 LEU N N 78 123.860 123.860 125.281 -1.421 17767 5978 1 9 . 1 1 78 78 LEU HA H 78 4.910 4.910 4.747 0.163 17767 5979 1 9 . 1 1 78 78 LEU C C 78 175.600 175.600 175.257 0.343 17767 5980 1 9 . 1 1 78 78 LEU CA C 78 53.170 53.170 53.709 -0.539 17767 5981 1 9 . 1 1 78 78 LEU CB C 78 45.780 45.780 45.698 0.082 17767 5982 1 9 . 1 1 78 78 LEU H H 78 9.028 9.028 8.433 0.595 17767 5983 1 9 . 1 1 79 79 LYS N N 79 119.280 119.280 120.667 -1.387 17767 5984 1 9 . 1 1 79 79 LYS HA H 79 5.615 5.615 5.026 0.589 17767 5985 1 9 . 1 1 79 79 LYS C C 79 176.600 176.600 175.388 1.212 17767 5986 1 9 . 1 1 79 79 LYS CA C 79 55.000 55.000 55.331 -0.331 17767 5987 1 9 . 1 1 79 79 LYS CB C 79 36.850 36.850 33.718 3.132 17767 5988 1 9 . 1 1 79 79 LYS H H 79 8.240 8.240 8.337 -0.097 17767 5989 1 9 . 1 1 80 80 CYS N N 80 115.980 115.980 124.981 -9.001 17767 5990 1 9 . 1 1 80 80 CYS HA H 80 4.700 4.700 4.699 0.000 17767 5991 1 9 . 1 1 80 80 CYS C C 80 173.500 173.500 174.320 -0.820 17767 5992 1 9 . 1 1 80 80 CYS CA C 80 56.500 56.500 58.249 -1.749 17767 5993 1 9 . 1 1 80 80 CYS CB C 80 45.700 45.700 28.867 16.832 17767 5994 1 9 . 1 1 80 80 CYS H H 80 8.306 8.306 8.601 -0.295 17767 5995 1 9 . 1 1 81 81 THR N N 81 122.000 122.000 126.548 -4.548 17767 5996 1 9 . 1 1 81 81 THR HA H 81 4.303 4.303 4.313 -0.010 17767 5997 1 9 . 1 1 81 81 THR C C 81 173.100 173.100 173.700 -0.600 17767 5998 1 9 . 1 1 81 81 THR CA C 81 62.460 62.460 62.119 0.341 17767 5999 1 9 . 1 1 81 81 THR CB C 81 68.200 68.200 67.804 0.396 17767 6000 1 9 . 1 1 81 81 THR H H 81 8.840 8.840 8.708 0.132 17767 6001 1 9 . 1 1 82 82 VAL N N 82 132.160 132.160 126.788 5.372 17767 6002 1 9 . 1 1 82 82 VAL HA H 82 4.449 4.449 4.546 -0.097 17767 6003 1 9 . 1 1 82 82 VAL C C 82 175.100 175.100 175.167 -0.067 17767 6004 1 9 . 1 1 82 82 VAL CA C 82 61.760 61.760 61.672 0.088 17767 6005 1 9 . 1 1 82 82 VAL CB C 82 31.200 31.200 32.206 -1.006 17767 6006 1 9 . 1 1 82 82 VAL H H 82 9.520 9.520 7.759 1.761 17767 6007 1 9 . 1 1 83 83 HIS N N 83 123.860 123.860 120.438 3.422 17767 6008 1 9 . 1 1 83 83 HIS HA H 83 5.009 5.009 4.728 0.281 17767 6009 1 9 . 1 1 83 83 HIS C C 83 173.500 173.500 172.598 0.902 17767 6010 1 9 . 1 1 83 83 HIS CA C 83 55.300 55.300 54.356 0.944 17767 6011 1 9 . 1 1 83 83 HIS CB C 83 33.400 33.400 32.559 0.841 17767 6012 1 9 . 1 1 83 83 HIS H H 83 8.740 8.740 8.803 -0.063 17767 6013 1 9 . 1 1 84 84 LEU N N 84 121.600 121.600 125.050 -3.450 17767 6014 1 9 . 1 1 84 84 LEU HA H 84 5.420 5.420 4.571 0.849 17767 6015 1 9 . 1 1 84 84 LEU C C 84 176.500 176.500 175.543 0.957 17767 6016 1 9 . 1 1 84 84 LEU CA C 84 53.790 53.790 54.266 -0.476 17767 6017 1 9 . 1 1 84 84 LEU CB C 84 44.740 44.740 42.751 1.989 17767 6018 1 9 . 1 1 84 84 LEU H H 84 8.850 8.850 8.463 0.387 17767 6019 1 9 . 1 1 85 85 ALA N N 85 128.800 128.800 130.570 -1.770 17767 6020 1 9 . 1 1 85 85 ALA HA H 85 4.750 4.750 4.633 0.117 17767 6021 1 9 . 1 1 85 85 ALA C C 85 177.000 177.000 176.733 0.267 17767 6022 1 9 . 1 1 85 85 ALA CA C 85 51.480 51.480 51.081 0.399 17767 6023 1 9 . 1 1 85 85 ALA CB C 85 20.910 20.910 20.380 0.530 17767 6024 1 9 . 1 1 85 85 ALA H H 85 9.230 9.230 8.912 0.318 17767 6025 1 9 . 1 1 86 86 ASN HA H 86 4.430 4.430 4.412 0.018 17767 6026 1 9 . 1 1 86 86 ASN C C 86 175.400 175.400 175.181 0.219 17767 6027 1 9 . 1 1 86 86 ASN CA C 86 54.140 54.140 54.093 0.047 17767 6028 1 9 . 1 1 86 86 ASN CB C 86 37.550 37.550 37.277 0.273 17767 6029 1 9 . 1 1 87 87 GLY N N 87 103.430 103.430 102.248 1.182 17767 6030 1 9 . 1 1 87 87 GLY C C 87 173.800 173.800 173.661 0.139 17767 6031 1 9 . 1 1 87 87 GLY CA C 87 45.670 45.670 45.082 0.588 17767 6032 1 9 . 1 1 87 87 GLY H H 87 8.620 8.620 8.316 0.304 17767 6033 1 9 . 1 1 88 88 LYS N N 88 120.490 120.490 120.470 0.020 17767 6034 1 9 . 1 1 88 88 LYS HA H 88 5.120 5.120 4.836 0.284 17767 6035 1 9 . 1 1 88 88 LYS C C 88 175.500 175.500 174.919 0.581 17767 6036 1 9 . 1 1 88 88 LYS CA C 88 55.140 55.140 54.753 0.387 17767 6037 1 9 . 1 1 88 88 LYS CB C 88 34.610 34.610 34.433 0.177 17767 6038 1 9 . 1 1 88 88 LYS H H 88 7.880 7.880 7.767 0.113 17767 6039 1 9 . 1 1 89 89 LEU N N 89 124.420 124.420 127.061 -2.641 17767 6040 1 9 . 1 1 89 89 LEU HA H 89 4.730 4.730 4.188 0.542 17767 6041 1 9 . 1 1 89 89 LEU C C 89 176.700 176.700 174.953 1.747 17767 6042 1 9 . 1 1 89 89 LEU CA C 89 54.500 54.500 54.695 -0.195 17767 6043 1 9 . 1 1 89 89 LEU CB C 89 44.150 44.150 42.117 2.033 17767 6044 1 9 . 1 1 89 89 LEU H H 89 8.780 8.780 8.497 0.283 17767 6045 1 9 . 1 1 90 90 VAL N N 90 122.500 122.500 124.403 -1.903 17767 6046 1 9 . 1 1 90 90 VAL HA H 90 5.420 5.420 4.319 1.101 17767 6047 1 9 . 1 1 90 90 VAL C C 90 175.200 175.200 173.795 1.405 17767 6048 1 9 . 1 1 90 90 VAL CA C 90 60.350 60.350 60.415 -0.065 17767 6049 1 9 . 1 1 90 90 VAL CB C 90 35.930 35.930 34.504 1.426 17767 6050 1 9 . 1 1 90 90 VAL H H 90 9.050 9.050 8.649 0.401 17767 6051 1 9 . 1 1 91 91 CYS N N 91 123.100 123.100 127.484 -4.384 17767 6052 1 9 . 1 1 91 91 CYS HA H 91 5.370 5.370 5.039 0.331 17767 6053 1 9 . 1 1 91 91 CYS C C 91 172.700 172.700 173.321 -0.621 17767 6054 1 9 . 1 1 91 91 CYS CA C 91 55.230 55.230 58.043 -2.813 17767 6055 1 9 . 1 1 91 91 CYS CB C 91 42.970 42.970 28.655 14.315 17767 6056 1 9 . 1 1 91 91 CYS H H 91 8.820 8.820 8.520 0.300 17767 6057 1 9 . 1 1 92 92 LYS N N 92 128.900 128.900 128.782 0.118 17767 6058 1 9 . 1 1 92 92 LYS HA H 92 5.000 5.000 4.661 0.339 17767 6059 1 9 . 1 1 92 92 LYS C C 92 174.270 174.270 175.617 -1.347 17767 6060 1 9 . 1 1 92 92 LYS CA C 92 55.360 55.360 55.258 0.102 17767 6061 1 9 . 1 1 92 92 LYS CB C 92 35.960 35.960 34.665 1.295 17767 6062 1 9 . 1 1 92 92 LYS H H 92 9.450 9.450 8.645 0.805 17767 6063 1 9 . 1 1 93 93 SER N N 93 119.300 119.300 121.594 -2.294 17767 6064 1 9 . 1 1 93 93 SER HA H 93 4.710 4.710 4.677 0.033 17767 6065 1 9 . 1 1 93 93 SER C C 93 174.200 174.200 175.042 -0.842 17767 6066 1 9 . 1 1 93 93 SER CA C 93 55.430 55.430 57.715 -2.285 17767 6067 1 9 . 1 1 93 93 SER CB C 93 66.460 66.460 64.028 2.432 17767 6068 1 9 . 1 1 93 93 SER H H 93 8.620 8.620 8.588 0.032 17767 6069 1 9 . 1 1 94 94 GLU N N 94 119.900 119.900 120.485 -0.585 17767 6070 1 9 . 1 1 94 94 GLU HA H 94 4.090 4.090 4.251 -0.161 17767 6071 1 9 . 1 1 94 94 GLU C C 94 177.600 177.600 176.737 0.863 17767 6072 1 9 . 1 1 94 94 GLU CA C 94 59.440 59.440 57.761 1.679 17767 6073 1 9 . 1 1 94 94 GLU CB C 94 29.360 29.360 30.049 -0.689 17767 6074 1 9 . 1 1 94 94 GLU H H 94 8.670 8.670 8.678 -0.008 17767 6075 1 9 . 1 1 95 95 LYS N N 95 113.500 113.500 117.563 -4.063 17767 6076 1 9 . 1 1 95 95 LYS HA H 95 4.430 4.430 4.150 0.280 17767 6077 1 9 . 1 1 95 95 LYS C C 95 175.980 175.980 174.686 1.294 17767 6078 1 9 . 1 1 95 95 LYS CA C 95 56.180 56.180 55.917 0.263 17767 6079 1 9 . 1 1 95 95 LYS CB C 95 35.220 35.220 33.140 2.080 17767 6080 1 9 . 1 1 95 95 LYS H H 95 8.300 8.300 7.956 0.344 17767 6081 1 9 . 1 1 96 96 PHE N N 96 113.270 113.270 117.765 -4.495 17767 6082 1 9 . 1 1 96 96 PHE HA H 96 5.860 5.860 4.697 1.163 17767 6083 1 9 . 1 1 96 96 PHE C C 96 173.900 173.900 173.970 -0.070 17767 6084 1 9 . 1 1 96 96 PHE CA C 96 55.890 55.890 55.666 0.224 17767 6085 1 9 . 1 1 96 96 PHE CB C 96 43.560 43.560 41.696 1.864 17767 6086 1 9 . 1 1 96 96 PHE H H 96 7.000 7.000 7.444 -0.444 17767 6087 1 9 . 1 1 97 97 SER N N 97 112.050 112.050 112.628 -0.578 17767 6088 1 9 . 1 1 97 97 SER HA H 97 5.220 5.220 4.807 0.413 17767 6089 1 9 . 1 1 97 97 SER C C 97 172.560 172.560 172.777 -0.217 17767 6090 1 9 . 1 1 97 97 SER CA C 97 57.870 57.870 58.012 -0.142 17767 6091 1 9 . 1 1 97 97 SER CB C 97 65.990 65.990 65.389 0.601 17767 6092 1 9 . 1 1 97 97 SER H H 97 8.790 8.790 8.810 -0.020 17767 6093 1 9 . 1 1 98 98 HIS N N 98 126.300 126.300 123.625 2.675 17767 6094 1 9 . 1 1 98 98 HIS HA H 98 5.190 5.190 4.969 0.221 17767 6095 1 9 . 1 1 98 98 HIS C C 98 174.500 174.500 173.513 0.987 17767 6096 1 9 . 1 1 98 98 HIS CA C 98 56.260 56.260 54.584 1.676 17767 6097 1 9 . 1 1 98 98 HIS CB C 98 36.270 36.270 32.603 3.667 17767 6098 1 9 . 1 1 98 98 HIS H H 98 9.190 9.190 9.046 0.144 17767 6099 1 9 . 1 1 99 99 GLU N N 99 126.670 126.670 128.174 -1.504 17767 6100 1 9 . 1 1 99 99 GLU HA H 99 5.390 5.390 4.789 0.601 17767 6101 1 9 . 1 1 99 99 GLU C C 99 175.400 175.400 174.756 0.644 17767 6102 1 9 . 1 1 99 99 GLU CA C 99 55.000 55.000 54.906 0.094 17767 6103 1 9 . 1 1 99 99 GLU CB C 99 34.000 34.000 32.569 1.431 17767 6104 1 9 . 1 1 99 99 GLU H H 99 8.350 8.350 8.827 -0.477 17767 6105 1 9 . 1 1 101 101 GLU N N 101 125.500 125.500 124.538 0.962 17767 6106 1 9 . 1 1 101 101 GLU HA H 101 5.160 5.160 4.726 0.434 17767 6107 1 9 . 1 1 101 101 GLU CA C 101 54.090 54.090 54.505 -0.416 17767 6108 1 9 . 1 1 101 101 GLU CB C 101 34.800 34.800 33.101 1.699 17767 6109 1 9 . 1 1 101 101 GLU H H 101 8.900 8.900 9.008 -0.108 17767 6110 1 9 . 1 1 102 102 VAL N N 102 124.420 124.420 126.213 -1.793 17767 6111 1 9 . 1 1 102 102 VAL HA H 102 4.630 4.630 4.225 0.405 17767 6112 1 9 . 1 1 102 102 VAL C C 102 175.200 175.200 176.062 -0.862 17767 6113 1 9 . 1 1 102 102 VAL CA C 102 61.380 61.380 61.467 -0.087 17767 6114 1 9 . 1 1 102 102 VAL CB C 102 34.100 34.100 32.212 1.888 17767 6115 1 9 . 1 1 102 102 VAL H H 102 8.790 8.790 8.696 0.094 17767 6116 1 9 . 1 1 103 103 LYS N N 103 129.480 129.480 129.284 0.196 17767 6117 1 9 . 1 1 103 103 LYS HA H 103 4.570 4.570 4.473 0.097 17767 6118 1 9 . 1 1 103 103 LYS C C 103 176.500 176.500 176.859 -0.359 17767 6119 1 9 . 1 1 103 103 LYS CA C 103 55.340 55.340 55.139 0.201 17767 6120 1 9 . 1 1 103 103 LYS CB C 103 33.760 33.760 32.118 1.641 17767 6121 1 9 . 1 1 103 103 LYS H H 103 8.950 8.950 8.804 0.146 17767 6122 1 9 . 1 1 104 104 GLY N N 104 116.700 116.700 114.250 2.450 17767 6123 1 9 . 1 1 104 104 GLY C C 104 174.500 174.500 174.417 0.083 17767 6124 1 9 . 1 1 104 104 GLY CA C 104 47.680 47.680 46.634 1.046 17767 6125 1 9 . 1 1 104 104 GLY H H 104 9.140 9.140 8.382 0.758 17767 6126 1 9 . 1 1 105 105 ASN N N 105 125.540 125.540 124.550 0.990 17767 6127 1 9 . 1 1 105 105 ASN HA H 105 5.000 5.000 4.802 0.198 17767 6128 1 9 . 1 1 105 105 ASN CA C 105 53.130 53.130 53.120 0.010 17767 6129 1 9 . 1 1 105 105 ASN CB C 105 39.060 39.060 39.243 -0.183 17767 6130 1 9 . 1 1 105 105 ASN H H 105 9.030 9.030 8.522 0.508 17767 6131 1 9 . 1 1 106 106 GLU N N 106 120.480 120.480 118.958 1.522 17767 6132 1 9 . 1 1 106 106 GLU HA H 106 5.550 5.550 4.870 0.680 17767 6133 1 9 . 1 1 106 106 GLU CA C 106 55.550 55.550 55.350 0.200 17767 6134 1 9 . 1 1 106 106 GLU CB C 106 33.160 33.160 33.640 -0.480 17767 6135 1 9 . 1 1 106 106 GLU H H 106 8.100 8.100 7.621 0.479 17767 6136 1 9 . 1 1 107 107 MET N N 107 124.080 124.080 122.729 1.351 17767 6137 1 9 . 1 1 107 107 MET HA H 107 5.120 5.120 4.931 0.189 17767 6138 1 9 . 1 1 107 107 MET CA C 107 53.700 53.700 54.401 -0.701 17767 6139 1 9 . 1 1 107 107 MET CB C 107 36.800 36.800 35.632 1.168 17767 6140 1 9 . 1 1 107 107 MET H H 107 8.930 8.930 9.165 -0.235 17767 6141 1 9 . 1 1 108 108 VAL N N 108 126.820 126.820 127.292 -0.472 17767 6142 1 9 . 1 1 108 108 VAL HA H 108 5.250 5.250 4.686 0.564 17767 6143 1 9 . 1 1 108 108 VAL CA C 108 61.340 61.340 59.725 1.615 17767 6144 1 9 . 1 1 108 108 VAL CB C 108 34.900 34.900 34.122 0.778 17767 6145 1 9 . 1 1 108 108 VAL H H 108 9.017 9.017 9.202 -0.185 17767 6146 1 9 . 1 1 109 109 GLU N N 109 128.300 128.300 128.661 -0.361 17767 6147 1 9 . 1 1 109 109 GLU HA H 109 5.040 5.040 5.305 -0.265 17767 6148 1 9 . 1 1 109 109 GLU C C 109 174.410 174.410 174.898 -0.488 17767 6149 1 9 . 1 1 109 109 GLU CA C 109 54.440 54.440 54.174 0.266 17767 6150 1 9 . 1 1 109 109 GLU CB C 109 34.760 34.760 33.915 0.845 17767 6151 1 9 . 1 1 109 109 GLU H H 109 9.100 9.100 8.647 0.453 17767 6152 1 9 . 1 1 110 110 THR N N 110 120.760 120.760 119.755 1.005 17767 6153 1 9 . 1 1 110 110 THR HA H 110 4.850 4.850 5.177 -0.327 17767 6154 1 9 . 1 1 110 110 THR C C 110 174.900 174.900 173.501 1.399 17767 6155 1 9 . 1 1 110 110 THR CA C 110 61.980 61.980 61.882 0.098 17767 6156 1 9 . 1 1 110 110 THR CB C 110 69.520 69.520 70.342 -0.822 17767 6157 1 9 . 1 1 110 110 THR H H 110 8.876 8.876 8.898 -0.022 17767 6158 1 9 . 1 1 111 111 ILE N N 111 131.030 131.030 126.870 4.160 17767 6159 1 9 . 1 1 111 111 ILE HA H 111 5.240 5.240 4.301 0.939 17767 6160 1 9 . 1 1 111 111 ILE C C 111 174.600 174.600 174.565 0.035 17767 6161 1 9 . 1 1 111 111 ILE CA C 111 60.310 60.310 59.666 0.644 17767 6162 1 9 . 1 1 111 111 ILE CB C 111 41.220 41.220 40.376 0.844 17767 6163 1 9 . 1 1 111 111 ILE H H 111 9.490 9.490 8.868 0.622 17767 6164 1 9 . 1 1 112 112 THR N N 112 122.800 122.800 119.919 2.881 17767 6165 1 9 . 1 1 112 112 THR HA H 112 5.960 5.960 5.131 0.829 17767 6166 1 9 . 1 1 112 112 THR C C 112 174.370 174.370 173.269 1.101 17767 6167 1 9 . 1 1 112 112 THR CA C 112 61.180 61.180 61.312 -0.132 17767 6168 1 9 . 1 1 112 112 THR CB C 112 71.250 71.250 70.311 0.939 17767 6169 1 9 . 1 1 112 112 THR H H 112 9.490 9.490 8.183 1.307 17767 6170 1 9 . 1 1 113 113 PHE N N 113 124.980 124.980 124.768 0.212 17767 6171 1 9 . 1 1 113 113 PHE HA H 113 4.820 4.820 4.585 0.235 17767 6172 1 9 . 1 1 113 113 PHE C C 113 175.700 175.700 175.580 0.120 17767 6173 1 9 . 1 1 113 113 PHE CA C 113 58.800 58.800 58.083 0.717 17767 6174 1 9 . 1 1 113 113 PHE CB C 113 43.480 43.480 42.843 0.637 17767 6175 1 9 . 1 1 113 113 PHE H H 113 9.000 9.000 8.259 0.741 17767 6176 1 9 . 1 1 114 114 GLY N N 114 116.550 116.550 112.144 4.406 17767 6177 1 9 . 1 1 114 114 GLY C C 114 175.300 175.300 174.686 0.614 17767 6178 1 9 . 1 1 114 114 GLY CA C 114 46.840 46.840 45.724 1.116 17767 6179 1 9 . 1 1 114 114 GLY H H 114 8.410 8.410 9.204 -0.794 17767 6180 1 9 . 1 1 115 115 GLY N N 115 105.640 105.640 106.959 -1.319 17767 6181 1 9 . 1 1 115 115 GLY C C 115 174.200 174.200 173.898 0.302 17767 6182 1 9 . 1 1 115 115 GLY CA C 115 44.890 44.890 45.018 -0.128 17767 6183 1 9 . 1 1 115 115 GLY H H 115 8.560 8.560 8.286 0.275 17767 6184 1 9 . 1 1 116 116 VAL N N 116 123.600 123.600 121.436 2.164 17767 6185 1 9 . 1 1 116 116 VAL HA H 116 4.310 4.310 4.364 -0.054 17767 6186 1 9 . 1 1 116 116 VAL C C 116 174.640 174.640 174.759 -0.119 17767 6187 1 9 . 1 1 116 116 VAL CA C 116 62.250 62.250 60.624 1.626 17767 6188 1 9 . 1 1 116 116 VAL CB C 116 34.170 34.170 34.027 0.143 17767 6189 1 9 . 1 1 116 116 VAL H H 116 8.164 8.164 7.530 0.634 17767 6190 1 9 . 1 1 117 117 THR N N 117 123.270 123.270 123.067 0.203 17767 6191 1 9 . 1 1 117 117 THR HA H 117 5.250 5.250 4.602 0.648 17767 6192 1 9 . 1 1 117 117 THR C C 117 173.800 173.800 173.585 0.215 17767 6193 1 9 . 1 1 117 117 THR CA C 117 61.900 61.900 61.422 0.478 17767 6194 1 9 . 1 1 117 117 THR CB C 117 70.450 70.450 68.953 1.497 17767 6195 1 9 . 1 1 117 117 THR H H 117 8.770 8.770 8.556 0.214 17767 6196 1 9 . 1 1 118 118 LEU N N 118 132.800 132.800 130.106 2.694 17767 6197 1 9 . 1 1 118 118 LEU HA H 118 4.880 4.880 4.697 0.183 17767 6198 1 9 . 1 1 118 118 LEU C C 118 175.200 175.200 174.592 0.608 17767 6199 1 9 . 1 1 118 118 LEU CA C 118 53.570 53.570 53.791 -0.221 17767 6200 1 9 . 1 1 118 118 LEU CB C 118 44.730 44.730 42.430 2.300 17767 6201 1 9 . 1 1 118 118 LEU H H 118 9.700 9.700 8.181 1.519 17767 6202 1 9 . 1 1 119 119 ILE N N 119 124.980 124.980 128.784 -3.804 17767 6203 1 9 . 1 1 119 119 ILE HA H 119 5.240 5.240 4.339 0.901 17767 6204 1 9 . 1 1 119 119 ILE C C 119 175.900 175.900 174.453 1.447 17767 6205 1 9 . 1 1 119 119 ILE CA C 119 59.340 59.340 60.529 -1.189 17767 6206 1 9 . 1 1 119 119 ILE CB C 119 39.550 39.550 37.834 1.716 17767 6207 1 9 . 1 1 119 119 ILE H H 119 7.800 7.800 8.178 -0.378 17767 6208 1 9 . 1 1 120 120 ARG N N 120 126.110 126.110 126.845 -0.735 17767 6209 1 9 . 1 1 120 120 ARG HA H 120 5.040 5.040 5.351 -0.311 17767 6210 1 9 . 1 1 120 120 ARG C C 120 175.300 175.300 174.429 0.871 17767 6211 1 9 . 1 1 120 120 ARG CA C 120 54.990 54.990 53.414 1.576 17767 6212 1 9 . 1 1 120 120 ARG CB C 120 34.760 34.760 33.926 0.834 17767 6213 1 9 . 1 1 120 120 ARG H H 120 9.400 9.400 8.777 0.623 17767 6214 1 9 . 1 1 121 121 ARG N N 121 126.600 126.600 121.620 4.980 17767 6215 1 9 . 1 1 121 121 ARG HA H 121 5.350 5.350 4.599 0.751 17767 6216 1 9 . 1 1 121 121 ARG C C 121 175.020 175.020 174.120 0.900 17767 6217 1 9 . 1 1 121 121 ARG CA C 121 55.250 55.250 55.435 -0.185 17767 6218 1 9 . 1 1 121 121 ARG CB C 121 31.830 31.830 33.054 -1.224 17767 6219 1 9 . 1 1 121 121 ARG H H 121 9.110 9.110 8.843 0.267 17767 6220 1 9 . 1 1 122 122 SER N N 122 118.200 118.200 118.354 -0.154 17767 6221 1 9 . 1 1 122 122 SER HA H 122 5.730 5.730 5.200 0.530 17767 6222 1 9 . 1 1 122 122 SER C C 122 173.010 173.010 172.932 0.078 17767 6223 1 9 . 1 1 122 122 SER CA C 122 58.100 58.100 55.792 2.308 17767 6224 1 9 . 1 1 122 122 SER CB C 122 66.850 66.850 65.432 1.418 17767 6225 1 9 . 1 1 122 122 SER H H 122 9.290 9.290 9.016 0.274 17767 6226 1 9 . 1 1 123 123 LYS N N 123 120.480 120.480 120.957 -0.477 17767 6227 1 9 . 1 1 123 123 LYS HA H 123 5.780 5.780 5.078 0.702 17767 6228 1 9 . 1 1 123 123 LYS C C 123 175.600 175.600 175.496 0.104 17767 6229 1 9 . 1 1 123 123 LYS CA C 123 54.130 54.130 55.053 -0.923 17767 6230 1 9 . 1 1 123 123 LYS CB C 123 36.330 36.330 35.890 0.440 17767 6231 1 9 . 1 1 123 123 LYS H H 123 8.650 8.650 8.564 0.086 17767 6232 1 9 . 1 1 124 124 ARG N N 124 124.980 124.980 123.408 1.572 17767 6233 1 9 . 1 1 124 124 ARG HA H 124 3.940 3.940 4.542 -0.602 17767 6234 1 9 . 1 1 124 124 ARG C C 124 176.500 176.500 176.461 0.039 17767 6235 1 9 . 1 1 124 124 ARG CA C 124 56.900 56.900 56.965 -0.065 17767 6236 1 9 . 1 1 124 124 ARG CB C 124 30.380 30.380 30.754 -0.374 17767 6237 1 9 . 1 1 124 124 ARG H H 124 8.200 8.200 8.824 -0.624 17767 6238 1 10 . 1 1 2 2 PHE HA H 2 4.460 4.460 4.905 -0.445 17767 6239 1 10 . 1 1 2 2 PHE C C 2 175.900 175.900 176.293 -0.393 17767 6240 1 10 . 1 1 2 2 PHE CA C 2 61.170 61.170 59.037 2.133 17767 6241 1 10 . 1 1 2 2 PHE CB C 2 40.690 40.690 39.679 1.011 17767 6242 1 10 . 1 1 3 3 SER N N 3 111.380 111.380 115.403 -4.023 17767 6243 1 10 . 1 1 3 3 SER HA H 3 4.420 4.420 4.231 0.189 17767 6244 1 10 . 1 1 3 3 SER C C 3 174.700 174.700 174.708 -0.008 17767 6245 1 10 . 1 1 3 3 SER CA C 3 60.000 60.000 59.592 0.408 17767 6246 1 10 . 1 1 3 3 SER CB C 3 64.140 64.140 62.607 1.533 17767 6247 1 10 . 1 1 3 3 SER H H 3 7.968 7.968 8.255 -0.287 17767 6248 1 10 . 1 1 4 4 GLY N N 4 111.480 111.480 112.267 -0.787 17767 6249 1 10 . 1 1 4 4 GLY C C 4 171.800 171.800 171.419 0.381 17767 6250 1 10 . 1 1 4 4 GLY CA C 4 44.150 44.150 45.381 -1.231 17767 6251 1 10 . 1 1 4 4 GLY H H 4 9.080 9.080 8.377 0.703 17767 6252 1 10 . 1 1 5 5 THR N N 5 117.770 117.770 113.482 4.288 17767 6253 1 10 . 1 1 5 5 THR HA H 5 4.980 4.980 5.095 -0.115 17767 6254 1 10 . 1 1 5 5 THR C C 5 173.190 173.190 172.862 0.328 17767 6255 1 10 . 1 1 5 5 THR CA C 5 62.930 62.930 60.429 2.501 17767 6256 1 10 . 1 1 5 5 THR CB C 5 69.310 69.310 70.786 -1.476 17767 6257 1 10 . 1 1 5 5 THR H H 5 8.270 8.270 7.651 0.619 17767 6258 1 10 . 1 1 6 6 TRP N N 6 127.500 127.500 126.007 1.493 17767 6259 1 10 . 1 1 6 6 TRP HA H 6 5.130 5.130 5.298 -0.168 17767 6260 1 10 . 1 1 6 6 TRP CA C 6 55.300 55.300 55.623 -0.323 17767 6261 1 10 . 1 1 6 6 TRP CB C 6 32.290 32.290 31.623 0.667 17767 6262 1 10 . 1 1 6 6 TRP H H 6 9.560 9.560 9.074 0.486 17767 6263 1 10 . 1 1 7 7 GLN HA H 7 4.970 4.970 4.790 0.180 17767 6264 1 10 . 1 1 7 7 GLN C C 7 175.900 175.900 174.754 1.146 17767 6265 1 10 . 1 1 7 7 GLN CA C 7 54.720 54.720 54.630 0.090 17767 6266 1 10 . 1 1 7 7 GLN CB C 7 32.400 32.400 30.921 1.479 17767 6267 1 10 . 1 1 8 8 VAL N N 8 131.400 131.400 128.823 2.577 17767 6268 1 10 . 1 1 8 8 VAL HA H 8 4.450 4.450 4.535 -0.085 17767 6269 1 10 . 1 1 8 8 VAL CA C 8 63.500 63.500 61.663 1.837 17767 6270 1 10 . 1 1 8 8 VAL CB C 8 32.300 32.300 33.038 -0.738 17767 6271 1 10 . 1 1 8 8 VAL H H 8 8.270 8.270 8.703 -0.433 17767 6272 1 10 . 1 1 9 9 TYR N N 9 123.300 123.300 123.067 0.233 17767 6273 1 10 . 1 1 9 9 TYR HA H 9 5.140 5.140 4.918 0.222 17767 6274 1 10 . 1 1 9 9 TYR C C 9 174.600 174.600 173.038 1.562 17767 6275 1 10 . 1 1 9 9 TYR CA C 9 56.600 56.600 56.012 0.588 17767 6276 1 10 . 1 1 9 9 TYR CB C 9 40.880 40.880 40.791 0.089 17767 6277 1 10 . 1 1 9 9 TYR H H 9 9.570 9.570 9.239 0.331 17767 6278 1 10 . 1 1 10 10 ALA N N 10 125.800 125.800 127.039 -1.239 17767 6279 1 10 . 1 1 10 10 ALA HA H 10 4.680 4.680 4.624 0.056 17767 6280 1 10 . 1 1 10 10 ALA C C 10 175.200 175.200 175.409 -0.209 17767 6281 1 10 . 1 1 10 10 ALA CA C 10 51.780 51.780 52.855 -1.075 17767 6282 1 10 . 1 1 10 10 ALA CB C 10 22.070 22.070 20.996 1.074 17767 6283 1 10 . 1 1 10 10 ALA H H 10 7.330 7.330 8.420 -1.090 17767 6284 1 10 . 1 1 11 11 GLN N N 11 118.300 118.300 119.550 -1.250 17767 6285 1 10 . 1 1 11 11 GLN HA H 11 5.370 5.370 4.670 0.700 17767 6286 1 10 . 1 1 11 11 GLN C C 11 174.700 174.700 175.673 -0.973 17767 6287 1 10 . 1 1 11 11 GLN CA C 11 54.460 54.460 55.443 -0.983 17767 6288 1 10 . 1 1 11 11 GLN CB C 11 32.870 32.870 28.771 4.099 17767 6289 1 10 . 1 1 11 11 GLN H H 11 8.700 8.700 8.631 0.069 17767 6290 1 10 . 1 1 12 12 GLU N N 12 123.800 123.800 121.162 2.638 17767 6291 1 10 . 1 1 12 12 GLU HA H 12 4.600 4.600 4.454 0.146 17767 6292 1 10 . 1 1 12 12 GLU C C 12 175.700 175.700 177.104 -1.404 17767 6293 1 10 . 1 1 12 12 GLU CA C 12 55.300 55.300 55.136 0.164 17767 6294 1 10 . 1 1 12 12 GLU CB C 12 31.760 31.760 30.852 0.909 17767 6295 1 10 . 1 1 12 12 GLU H H 12 9.130 9.130 8.272 0.858 17767 6296 1 10 . 1 1 13 13 ASN N N 13 117.550 117.550 119.660 -2.110 17767 6297 1 10 . 1 1 13 13 ASN HA H 13 4.790 4.790 4.682 0.108 17767 6298 1 10 . 1 1 13 13 ASN C C 13 175.600 175.600 175.326 0.274 17767 6299 1 10 . 1 1 13 13 ASN CA C 13 54.100 54.100 53.158 0.942 17767 6300 1 10 . 1 1 13 13 ASN CB C 13 37.100 37.100 36.423 0.677 17767 6301 1 10 . 1 1 13 13 ASN H H 13 9.130 9.130 8.891 0.239 17767 6302 1 10 . 1 1 14 14 TYR N N 14 118.280 118.280 123.302 -5.022 17767 6303 1 10 . 1 1 14 14 TYR HA H 14 4.360 4.360 4.156 0.204 17767 6304 1 10 . 1 1 14 14 TYR C C 14 176.500 176.500 176.731 -0.231 17767 6305 1 10 . 1 1 14 14 TYR CA C 14 60.590 60.590 62.780 -2.190 17767 6306 1 10 . 1 1 14 14 TYR CB C 14 39.450 39.450 39.210 0.240 17767 6307 1 10 . 1 1 14 14 TYR H H 14 7.900 7.900 8.451 -0.551 17767 6308 1 10 . 1 1 15 15 GLU N N 15 118.600 118.600 118.066 0.534 17767 6309 1 10 . 1 1 15 15 GLU HA H 15 3.550 3.550 4.051 -0.501 17767 6310 1 10 . 1 1 15 15 GLU C C 15 178.500 178.500 178.527 -0.027 17767 6311 1 10 . 1 1 15 15 GLU CA C 15 61.170 61.170 59.646 1.524 17767 6312 1 10 . 1 1 15 15 GLU CB C 15 28.700 28.700 28.741 -0.041 17767 6313 1 10 . 1 1 15 15 GLU H H 15 8.960 8.960 9.070 -0.110 17767 6314 1 10 . 1 1 16 16 GLU N N 16 118.800 118.800 120.107 -1.307 17767 6315 1 10 . 1 1 16 16 GLU HA H 16 3.880 3.880 4.099 -0.219 17767 6316 1 10 . 1 1 16 16 GLU C C 16 178.600 178.600 178.536 0.064 17767 6317 1 10 . 1 1 16 16 GLU CA C 16 60.300 60.300 58.665 1.635 17767 6318 1 10 . 1 1 16 16 GLU CB C 16 28.600 28.600 29.613 -1.013 17767 6319 1 10 . 1 1 16 16 GLU H H 16 9.090 9.090 8.293 0.797 17767 6320 1 10 . 1 1 17 17 PHE N N 17 124.200 124.200 120.131 4.069 17767 6321 1 10 . 1 1 17 17 PHE HA H 17 3.960 3.960 4.259 -0.299 17767 6322 1 10 . 1 1 17 17 PHE C C 17 176.400 176.400 177.709 -1.309 17767 6323 1 10 . 1 1 17 17 PHE CA C 17 62.350 62.350 59.493 2.857 17767 6324 1 10 . 1 1 17 17 PHE CB C 17 40.380 40.380 38.873 1.506 17767 6325 1 10 . 1 1 17 17 PHE H H 17 8.410 8.410 7.681 0.729 17767 6326 1 10 . 1 1 18 18 LEU N N 18 116.400 116.400 119.709 -3.309 17767 6327 1 10 . 1 1 18 18 LEU HA H 18 3.780 3.780 3.464 0.316 17767 6328 1 10 . 1 1 18 18 LEU C C 18 178.800 178.800 178.450 0.350 17767 6329 1 10 . 1 1 18 18 LEU CA C 18 58.240 58.240 57.748 0.492 17767 6330 1 10 . 1 1 18 18 LEU CB C 18 41.220 41.220 41.039 0.181 17767 6331 1 10 . 1 1 18 18 LEU H H 18 8.200 8.200 7.705 0.495 17767 6332 1 10 . 1 1 19 19 LYS N N 19 116.590 116.590 117.167 -0.577 17767 6333 1 10 . 1 1 19 19 LYS HA H 19 4.040 4.040 4.060 -0.020 17767 6334 1 10 . 1 1 19 19 LYS C C 19 179.800 179.800 179.045 0.755 17767 6335 1 10 . 1 1 19 19 LYS CA C 19 58.820 58.820 59.075 -0.255 17767 6336 1 10 . 1 1 19 19 LYS CB C 19 32.150 32.150 32.026 0.124 17767 6337 1 10 . 1 1 19 19 LYS H H 19 7.790 7.790 7.617 0.173 17767 6338 1 10 . 1 1 20 20 ALA N N 20 126.110 126.110 120.542 5.568 17767 6339 1 10 . 1 1 20 20 ALA HA H 20 4.160 4.160 4.302 -0.142 17767 6340 1 10 . 1 1 20 20 ALA C C 20 178.600 178.600 178.026 0.574 17767 6341 1 10 . 1 1 20 20 ALA CA C 20 55.300 55.300 53.580 1.720 17767 6342 1 10 . 1 1 20 20 ALA CB C 20 17.700 17.700 18.723 -1.023 17767 6343 1 10 . 1 1 20 20 ALA H H 20 7.990 7.990 7.587 0.403 17767 6344 1 10 . 1 1 21 21 LEU N N 21 117.110 117.110 117.364 -0.254 17767 6345 1 10 . 1 1 21 21 LEU HA H 21 3.688 3.688 4.411 -0.723 17767 6346 1 10 . 1 1 21 21 LEU C C 21 176.100 176.100 176.080 0.020 17767 6347 1 10 . 1 1 21 21 LEU CA C 21 55.400 55.400 53.681 1.719 17767 6348 1 10 . 1 1 21 21 LEU CB C 21 42.700 42.700 41.909 0.791 17767 6349 1 10 . 1 1 21 21 LEU H H 21 7.380 7.380 7.090 0.290 17767 6350 1 10 . 1 1 22 22 ALA N N 22 118.800 118.800 119.590 -0.790 17767 6351 1 10 . 1 1 22 22 ALA HA H 22 3.985 3.985 3.974 0.011 17767 6352 1 10 . 1 1 22 22 ALA C C 22 177.000 177.000 176.756 0.244 17767 6353 1 10 . 1 1 22 22 ALA CA C 22 52.370 52.370 52.584 -0.214 17767 6354 1 10 . 1 1 22 22 ALA CB C 22 15.960 15.960 16.806 -0.846 17767 6355 1 10 . 1 1 22 22 ALA H H 22 7.920 7.920 7.300 0.620 17767 6356 1 10 . 1 1 23 23 LEU N N 23 118.470 118.470 119.561 -1.091 17767 6357 1 10 . 1 1 23 23 LEU HA H 23 4.425 4.425 4.385 0.040 17767 6358 1 10 . 1 1 23 23 LEU C C 23 174.500 174.500 174.772 -0.272 17767 6359 1 10 . 1 1 23 23 LEU CA C 23 54.130 54.130 52.735 1.395 17767 6360 1 10 . 1 1 23 23 LEU CB C 23 41.220 41.220 42.183 -0.963 17767 6361 1 10 . 1 1 23 23 LEU H H 23 6.950 6.950 7.418 -0.468 17767 6362 1 10 . 1 1 24 24 PRO HA H 24 4.475 4.475 4.510 -0.035 17767 6363 1 10 . 1 1 24 24 PRO C C 24 177.500 177.500 177.592 -0.092 17767 6364 1 10 . 1 1 24 24 PRO CA C 24 62.940 62.940 62.489 0.451 17767 6365 1 10 . 1 1 24 24 PRO CB C 24 32.600 32.600 32.169 0.431 17767 6366 1 10 . 1 1 25 25 GLU N N 25 122.500 122.500 122.985 -0.485 17767 6367 1 10 . 1 1 25 25 GLU HA H 25 3.860 3.860 3.881 -0.021 17767 6368 1 10 . 1 1 25 25 GLU C C 25 177.900 177.900 177.561 0.339 17767 6369 1 10 . 1 1 25 25 GLU CA C 25 60.100 60.100 60.114 -0.014 17767 6370 1 10 . 1 1 25 25 GLU CB C 25 29.690 29.690 29.189 0.501 17767 6371 1 10 . 1 1 25 25 GLU H H 25 8.840 8.840 8.942 -0.102 17767 6372 1 10 . 1 1 26 26 ASP N N 26 117.110 117.110 118.466 -1.356 17767 6373 1 10 . 1 1 26 26 ASP HA H 26 4.360 4.360 4.417 -0.057 17767 6374 1 10 . 1 1 26 26 ASP C C 26 177.900 177.900 178.794 -0.894 17767 6375 1 10 . 1 1 26 26 ASP CA C 26 57.080 57.080 56.434 0.646 17767 6376 1 10 . 1 1 26 26 ASP CB C 26 40.040 40.040 40.088 -0.048 17767 6377 1 10 . 1 1 26 26 ASP H H 26 8.920 8.920 8.339 0.581 17767 6378 1 10 . 1 1 27 27 LEU N N 27 121.990 121.990 121.704 0.286 17767 6379 1 10 . 1 1 27 27 LEU HA H 27 4.270 4.270 4.107 0.163 17767 6380 1 10 . 1 1 27 27 LEU C C 27 178.070 178.070 178.766 -0.696 17767 6381 1 10 . 1 1 27 27 LEU CA C 27 57.650 57.650 57.304 0.346 17767 6382 1 10 . 1 1 27 27 LEU CB C 27 42.230 42.230 42.135 0.095 17767 6383 1 10 . 1 1 27 27 LEU H H 27 7.220 7.220 7.973 -0.753 17767 6384 1 10 . 1 1 28 28 ILE N N 28 120.350 120.350 117.343 3.007 17767 6385 1 10 . 1 1 28 28 ILE HA H 28 3.317 3.317 3.705 -0.388 17767 6386 1 10 . 1 1 28 28 ILE C C 28 177.400 177.400 177.320 0.080 17767 6387 1 10 . 1 1 28 28 ILE CA C 28 67.040 67.040 64.668 2.372 17767 6388 1 10 . 1 1 28 28 ILE CB C 28 37.110 37.110 37.401 -0.291 17767 6389 1 10 . 1 1 28 28 ILE H H 28 7.900 7.900 8.191 -0.291 17767 6390 1 10 . 1 1 29 29 LYS N N 29 117.110 117.110 119.692 -2.582 17767 6391 1 10 . 1 1 29 29 LYS HA H 29 3.947 3.947 4.259 -0.312 17767 6392 1 10 . 1 1 29 29 LYS C C 29 178.900 178.900 177.314 1.586 17767 6393 1 10 . 1 1 29 29 LYS CA C 29 60.000 60.000 58.522 1.478 17767 6394 1 10 . 1 1 29 29 LYS CB C 29 32.390 32.390 33.251 -0.861 17767 6395 1 10 . 1 1 29 29 LYS H H 29 7.850 7.850 7.881 -0.031 17767 6396 1 10 . 1 1 30 30 MET N N 30 117.110 117.110 118.474 -1.364 17767 6397 1 10 . 1 1 30 30 MET HA H 30 4.320 4.320 4.259 0.061 17767 6398 1 10 . 1 1 30 30 MET C C 30 177.500 177.500 178.528 -1.028 17767 6399 1 10 . 1 1 30 30 MET CA C 30 57.650 57.650 58.276 -0.626 17767 6400 1 10 . 1 1 30 30 MET CB C 30 32.970 32.970 33.005 -0.035 17767 6401 1 10 . 1 1 30 30 MET H H 30 7.450 7.450 7.485 -0.035 17767 6402 1 10 . 1 1 31 31 ALA N N 31 120.480 120.480 121.681 -1.201 17767 6403 1 10 . 1 1 31 31 ALA HA H 31 4.270 4.270 4.012 0.258 17767 6404 1 10 . 1 1 31 31 ALA CA C 31 53.545 53.545 55.407 -1.862 17767 6405 1 10 . 1 1 31 31 ALA CB C 31 19.290 19.290 18.515 0.775 17767 6406 1 10 . 1 1 31 31 ALA H H 31 8.420 8.420 8.779 -0.359 17767 6407 1 10 . 1 1 32 32 ARG N N 32 122.170 122.170 115.107 7.063 17767 6408 1 10 . 1 1 32 32 ARG HA H 32 4.109 4.109 3.500 0.609 17767 6409 1 10 . 1 1 32 32 ARG C C 32 176.500 176.500 176.330 0.170 17767 6410 1 10 . 1 1 32 32 ARG CA C 32 61.170 61.170 58.192 2.978 17767 6411 1 10 . 1 1 32 32 ARG CB C 32 30.600 30.600 29.573 1.027 17767 6412 1 10 . 1 1 32 32 ARG H H 32 7.770 7.770 7.901 -0.131 17767 6413 1 10 . 1 1 33 33 ASP N N 33 116.550 116.550 118.567 -2.017 17767 6414 1 10 . 1 1 33 33 ASP HA H 33 4.920 4.920 4.597 0.323 17767 6415 1 10 . 1 1 33 33 ASP C C 33 175.900 175.900 175.692 0.208 17767 6416 1 10 . 1 1 33 33 ASP CA C 33 54.130 54.130 54.486 -0.356 17767 6417 1 10 . 1 1 33 33 ASP CB C 33 41.760 41.760 43.457 -1.697 17767 6418 1 10 . 1 1 33 33 ASP H H 33 8.330 8.330 7.806 0.524 17767 6419 1 10 . 1 1 34 34 ILE N N 34 120.060 120.060 122.588 -2.528 17767 6420 1 10 . 1 1 34 34 ILE HA H 34 4.120 4.120 3.864 0.256 17767 6421 1 10 . 1 1 34 34 ILE C C 34 176.100 176.100 174.808 1.292 17767 6422 1 10 . 1 1 34 34 ILE CA C 34 61.170 61.170 62.496 -1.326 17767 6423 1 10 . 1 1 34 34 ILE CB C 34 37.860 37.860 36.568 1.292 17767 6424 1 10 . 1 1 34 34 ILE H H 34 7.240 7.240 7.774 -0.534 17767 6425 1 10 . 1 1 35 35 LYS N N 35 131.170 131.170 127.964 3.206 17767 6426 1 10 . 1 1 35 35 LYS HA H 35 4.700 4.700 4.801 -0.102 17767 6427 1 10 . 1 1 35 35 LYS C C 35 173.700 173.700 174.478 -0.778 17767 6428 1 10 . 1 1 35 35 LYS CA C 35 52.970 52.970 53.996 -1.026 17767 6429 1 10 . 1 1 35 35 LYS CB C 35 32.750 32.750 32.547 0.203 17767 6430 1 10 . 1 1 35 35 LYS H H 35 8.980 8.980 8.176 0.804 17767 6431 1 10 . 1 1 36 36 PRO HA H 36 4.510 4.510 4.450 0.060 17767 6432 1 10 . 1 1 36 36 PRO CA C 36 63.523 63.523 62.250 1.273 17767 6433 1 10 . 1 1 36 36 PRO CB C 36 32.840 32.840 32.596 0.244 17767 6434 1 10 . 1 1 37 37 ILE HA H 37 4.920 4.920 4.270 0.650 17767 6435 1 10 . 1 1 37 37 ILE C C 37 175.500 175.500 175.532 -0.032 17767 6436 1 10 . 1 1 37 37 ILE CA C 37 60.588 60.588 60.696 -0.108 17767 6437 1 10 . 1 1 37 37 ILE CB C 37 40.630 40.630 39.218 1.412 17767 6438 1 10 . 1 1 38 38 VAL N N 38 129.000 129.000 130.061 -1.061 17767 6439 1 10 . 1 1 38 38 VAL HA H 38 5.120 5.120 4.414 0.706 17767 6440 1 10 . 1 1 38 38 VAL C C 38 175.100 175.100 175.187 -0.087 17767 6441 1 10 . 1 1 38 38 VAL CA C 38 61.176 61.176 61.343 -0.167 17767 6442 1 10 . 1 1 38 38 VAL CB C 38 34.850 34.850 31.692 3.158 17767 6443 1 10 . 1 1 38 38 VAL H H 38 9.540 9.540 9.189 0.351 17767 6444 1 10 . 1 1 39 39 GLU N N 39 128.350 128.350 129.135 -0.785 17767 6445 1 10 . 1 1 39 39 GLU HA H 39 5.440 5.440 4.632 0.808 17767 6446 1 10 . 1 1 39 39 GLU C C 39 176.000 176.000 174.798 1.202 17767 6447 1 10 . 1 1 39 39 GLU CA C 39 54.720 54.720 56.677 -1.957 17767 6448 1 10 . 1 1 39 39 GLU CB C 39 32.410 32.410 31.444 0.966 17767 6449 1 10 . 1 1 39 39 GLU H H 39 9.590 9.590 8.318 1.272 17767 6450 1 10 . 1 1 40 40 ILE N N 40 126.110 126.110 126.157 -0.047 17767 6451 1 10 . 1 1 40 40 ILE HA H 40 5.050 5.050 5.350 -0.300 17767 6452 1 10 . 1 1 40 40 ILE C C 40 175.800 175.800 173.546 2.254 17767 6453 1 10 . 1 1 40 40 ILE CA C 40 61.330 61.330 58.813 2.517 17767 6454 1 10 . 1 1 40 40 ILE CB C 40 40.160 40.160 42.295 -2.135 17767 6455 1 10 . 1 1 40 40 ILE H H 40 9.630 9.630 8.586 1.044 17767 6456 1 10 . 1 1 41 41 GLN N N 41 128.360 128.360 127.985 0.375 17767 6457 1 10 . 1 1 41 41 GLN HA H 41 4.720 4.720 4.731 -0.011 17767 6458 1 10 . 1 1 41 41 GLN C C 41 173.900 173.900 173.495 0.405 17767 6459 1 10 . 1 1 41 41 GLN CA C 41 54.940 54.940 54.178 0.762 17767 6460 1 10 . 1 1 41 41 GLN CB C 41 31.820 31.820 31.481 0.339 17767 6461 1 10 . 1 1 41 41 GLN H H 41 9.270 9.270 8.480 0.790 17767 6462 1 10 . 1 1 42 42 GLN N N 42 126.110 126.110 124.563 1.547 17767 6463 1 10 . 1 1 42 42 GLN HA H 42 4.380 4.380 4.232 0.148 17767 6464 1 10 . 1 1 42 42 GLN C C 42 174.700 174.700 174.886 -0.186 17767 6465 1 10 . 1 1 42 42 GLN CA C 42 54.150 54.150 54.590 -0.440 17767 6466 1 10 . 1 1 42 42 GLN CB C 42 30.000 30.000 30.393 -0.393 17767 6467 1 10 . 1 1 42 42 GLN H H 42 8.250 8.250 8.520 -0.270 17767 6468 1 10 . 1 1 43 43 LYS N N 43 130.610 130.610 129.194 1.416 17767 6469 1 10 . 1 1 43 43 LYS HA H 43 4.460 4.460 4.524 -0.064 17767 6470 1 10 . 1 1 43 43 LYS C C 43 176.030 176.030 176.217 -0.187 17767 6471 1 10 . 1 1 43 43 LYS CA C 43 55.306 55.306 55.524 -0.218 17767 6472 1 10 . 1 1 43 43 LYS CB C 43 33.270 33.270 33.525 -0.255 17767 6473 1 10 . 1 1 43 43 LYS H H 43 8.820 8.820 8.841 -0.021 17767 6474 1 10 . 1 1 44 44 GLY N N 44 117.110 117.110 116.059 1.051 17767 6475 1 10 . 1 1 44 44 GLY C C 44 174.300 174.300 174.628 -0.328 17767 6476 1 10 . 1 1 44 44 GLY CA C 44 47.480 47.480 46.982 0.498 17767 6477 1 10 . 1 1 44 44 GLY H H 44 8.940 8.940 8.916 0.024 17767 6478 1 10 . 1 1 45 45 ASP N N 45 127.799 127.799 124.948 2.851 17767 6479 1 10 . 1 1 45 45 ASP HA H 45 4.870 4.870 5.043 -0.173 17767 6480 1 10 . 1 1 45 45 ASP C C 45 174.700 174.700 175.125 -0.425 17767 6481 1 10 . 1 1 45 45 ASP CA C 45 54.719 54.719 54.295 0.424 17767 6482 1 10 . 1 1 45 45 ASP CB C 45 41.270 41.270 43.087 -1.817 17767 6483 1 10 . 1 1 45 45 ASP H H 45 8.870 8.870 8.413 0.457 17767 6484 1 10 . 1 1 46 46 ASP N N 46 120.480 120.480 122.005 -1.525 17767 6485 1 10 . 1 1 46 46 ASP HA H 46 5.230 5.230 5.531 -0.301 17767 6486 1 10 . 1 1 46 46 ASP C C 46 175.070 175.070 174.933 0.137 17767 6487 1 10 . 1 1 46 46 ASP CA C 46 54.132 54.132 54.285 -0.152 17767 6488 1 10 . 1 1 46 46 ASP CB C 46 41.570 41.570 42.055 -0.485 17767 6489 1 10 . 1 1 46 46 ASP H H 46 8.060 8.060 7.978 0.082 17767 6490 1 10 . 1 1 47 47 PHE N N 47 122.730 122.730 123.720 -0.990 17767 6491 1 10 . 1 1 47 47 PHE HA H 47 5.090 5.090 5.499 -0.409 17767 6492 1 10 . 1 1 47 47 PHE C C 47 176.400 176.400 175.296 1.104 17767 6493 1 10 . 1 1 47 47 PHE CA C 47 56.420 56.420 54.561 1.859 17767 6494 1 10 . 1 1 47 47 PHE CB C 47 44.150 44.150 42.444 1.706 17767 6495 1 10 . 1 1 47 47 PHE H H 47 9.296 9.296 9.214 0.082 17767 6496 1 10 . 1 1 48 48 VAL N N 48 121.690 121.690 121.432 0.258 17767 6497 1 10 . 1 1 48 48 VAL HA H 48 4.500 4.500 4.315 0.185 17767 6498 1 10 . 1 1 48 48 VAL C C 48 175.700 175.700 174.687 1.013 17767 6499 1 10 . 1 1 48 48 VAL CA C 48 62.930 62.930 61.608 1.322 17767 6500 1 10 . 1 1 48 48 VAL CB C 48 34.670 34.670 33.106 1.564 17767 6501 1 10 . 1 1 48 48 VAL H H 48 8.520 8.520 8.888 -0.368 17767 6502 1 10 . 1 1 49 49 VAL N N 49 127.200 127.200 130.198 -2.998 17767 6503 1 10 . 1 1 49 49 VAL HA H 49 5.250 5.250 4.917 0.333 17767 6504 1 10 . 1 1 49 49 VAL C C 49 175.700 175.700 175.575 0.125 17767 6505 1 10 . 1 1 49 49 VAL CA C 49 61.180 61.180 61.229 -0.049 17767 6506 1 10 . 1 1 49 49 VAL CB C 49 34.660 34.660 32.748 1.912 17767 6507 1 10 . 1 1 49 49 VAL H H 49 9.330 9.330 9.252 0.078 17767 6508 1 10 . 1 1 50 50 THR N N 50 128.500 128.500 126.108 2.392 17767 6509 1 10 . 1 1 50 50 THR HA H 50 5.430 5.430 4.958 0.472 17767 6510 1 10 . 1 1 50 50 THR C C 50 173.810 173.810 173.832 -0.022 17767 6511 1 10 . 1 1 50 50 THR CA C 50 61.530 61.530 61.718 -0.188 17767 6512 1 10 . 1 1 50 50 THR CB C 50 70.760 70.760 69.669 1.091 17767 6513 1 10 . 1 1 50 50 THR H H 50 9.730 9.730 9.529 0.201 17767 6514 1 10 . 1 1 51 51 SER N N 51 122.730 122.730 123.738 -1.008 17767 6515 1 10 . 1 1 51 51 SER HA H 51 5.430 5.430 4.924 0.506 17767 6516 1 10 . 1 1 51 51 SER C C 51 173.800 173.800 173.718 0.082 17767 6517 1 10 . 1 1 51 51 SER CA C 51 57.060 57.060 56.791 0.269 17767 6518 1 10 . 1 1 51 51 SER CB C 51 64.550 64.550 63.868 0.682 17767 6519 1 10 . 1 1 51 51 SER H H 51 9.190 9.190 8.949 0.241 17767 6520 1 10 . 1 1 52 52 LYS N N 52 125.550 125.550 128.008 -2.458 17767 6521 1 10 . 1 1 52 52 LYS HA H 52 5.310 5.310 4.422 0.888 17767 6522 1 10 . 1 1 52 52 LYS C C 52 175.900 175.900 176.347 -0.447 17767 6523 1 10 . 1 1 52 52 LYS CA C 52 56.120 56.120 56.572 -0.452 17767 6524 1 10 . 1 1 52 52 LYS CB C 52 36.130 36.130 33.457 2.673 17767 6525 1 10 . 1 1 52 52 LYS H H 52 9.490 9.490 8.737 0.753 17767 6526 1 10 . 1 1 53 53 THR N N 53 115.980 115.980 115.479 0.501 17767 6527 1 10 . 1 1 53 53 THR HA H 53 5.024 5.024 4.728 0.296 17767 6528 1 10 . 1 1 53 53 THR C C 53 173.400 173.400 173.037 0.363 17767 6529 1 10 . 1 1 53 53 THR CA C 53 59.140 59.140 58.502 0.638 17767 6530 1 10 . 1 1 53 53 THR CB C 53 69.300 69.300 70.173 -0.873 17767 6531 1 10 . 1 1 53 53 THR H H 53 8.760 8.760 8.039 0.721 17767 6532 1 10 . 1 1 54 54 PRO HA H 54 4.350 4.350 4.496 -0.146 17767 6533 1 10 . 1 1 54 54 PRO C C 54 177.200 177.200 176.399 0.801 17767 6534 1 10 . 1 1 54 54 PRO CA C 54 66.458 66.458 63.816 2.642 17767 6535 1 10 . 1 1 54 54 PRO CB C 54 32.400 32.400 31.940 0.460 17767 6536 1 10 . 1 1 55 55 ARG N N 55 111.480 111.480 116.621 -5.141 17767 6537 1 10 . 1 1 55 55 ARG HA H 55 4.510 4.510 4.582 -0.072 17767 6538 1 10 . 1 1 55 55 ARG C C 55 175.800 175.800 176.025 -0.225 17767 6539 1 10 . 1 1 55 55 ARG CA C 55 55.893 55.893 56.296 -0.403 17767 6540 1 10 . 1 1 55 55 ARG CB C 55 32.520 32.520 33.197 -0.677 17767 6541 1 10 . 1 1 55 55 ARG H H 55 8.010 8.010 7.663 0.347 17767 6542 1 10 . 1 1 56 56 GLN N N 56 118.230 118.230 118.701 -0.471 17767 6543 1 10 . 1 1 56 56 GLN HA H 56 4.830 4.830 4.505 0.326 17767 6544 1 10 . 1 1 56 56 GLN C C 56 174.200 174.200 174.918 -0.718 17767 6545 1 10 . 1 1 56 56 GLN CA C 56 55.610 55.610 54.988 0.622 17767 6546 1 10 . 1 1 56 56 GLN CB C 56 32.880 32.880 31.928 0.952 17767 6547 1 10 . 1 1 56 56 GLN H H 56 7.530 7.530 8.302 -0.772 17767 6548 1 10 . 1 1 57 57 THR N N 57 120.480 120.480 122.772 -2.292 17767 6549 1 10 . 1 1 57 57 THR HA H 57 5.330 5.330 4.473 0.857 17767 6550 1 10 . 1 1 57 57 THR C C 57 174.000 174.000 174.721 -0.721 17767 6551 1 10 . 1 1 57 57 THR CA C 57 61.760 61.760 63.801 -2.042 17767 6552 1 10 . 1 1 57 57 THR CB C 57 71.500 71.500 69.075 2.425 17767 6553 1 10 . 1 1 57 57 THR H H 57 8.610 8.610 8.560 0.050 17767 6554 1 10 . 1 1 58 58 VAL N N 58 125.200 125.200 122.393 2.807 17767 6555 1 10 . 1 1 58 58 VAL HA H 58 4.540 4.540 4.616 -0.076 17767 6556 1 10 . 1 1 58 58 VAL C C 58 174.400 174.400 174.788 -0.388 17767 6557 1 10 . 1 1 58 58 VAL CA C 58 61.170 61.170 59.858 1.312 17767 6558 1 10 . 1 1 58 58 VAL CB C 58 35.560 35.560 33.996 1.564 17767 6559 1 10 . 1 1 58 58 VAL H H 58 8.830 8.830 8.644 0.186 17767 6560 1 10 . 1 1 59 59 THR N N 59 125.500 125.500 117.874 7.626 17767 6561 1 10 . 1 1 59 59 THR HA H 59 5.260 5.260 5.088 0.172 17767 6562 1 10 . 1 1 59 59 THR C C 59 173.400 173.400 173.627 -0.227 17767 6563 1 10 . 1 1 59 59 THR CA C 59 61.980 61.980 61.243 0.737 17767 6564 1 10 . 1 1 59 59 THR CB C 59 71.150 71.150 70.969 0.181 17767 6565 1 10 . 1 1 59 59 THR H H 59 8.870 8.870 8.338 0.532 17767 6566 1 10 . 1 1 60 60 ASN N N 60 124.700 124.700 124.656 0.044 17767 6567 1 10 . 1 1 60 60 ASN HA H 60 5.270 5.270 4.985 0.285 17767 6568 1 10 . 1 1 60 60 ASN C C 60 173.300 173.300 173.612 -0.312 17767 6569 1 10 . 1 1 60 60 ASN CA C 60 53.000 53.000 52.733 0.268 17767 6570 1 10 . 1 1 60 60 ASN CB C 60 44.700 44.700 42.056 2.644 17767 6571 1 10 . 1 1 60 60 ASN H H 60 9.180 9.180 9.199 -0.019 17767 6572 1 10 . 1 1 61 61 SER N N 61 115.980 115.980 119.441 -3.461 17767 6573 1 10 . 1 1 61 61 SER HA H 61 5.430 5.430 5.461 -0.031 17767 6574 1 10 . 1 1 61 61 SER C C 61 173.300 173.300 173.453 -0.153 17767 6575 1 10 . 1 1 61 61 SER CA C 61 57.060 57.060 56.795 0.265 17767 6576 1 10 . 1 1 61 61 SER CB C 61 65.590 65.590 65.615 -0.025 17767 6577 1 10 . 1 1 61 61 SER H H 61 8.840 8.840 8.671 0.169 17767 6578 1 10 . 1 1 62 62 PHE N N 62 117.670 117.670 118.913 -1.243 17767 6579 1 10 . 1 1 62 62 PHE HA H 62 5.020 5.020 4.867 0.153 17767 6580 1 10 . 1 1 62 62 PHE C C 62 173.100 173.100 173.198 -0.098 17767 6581 1 10 . 1 1 62 62 PHE CA C 62 56.590 56.590 56.451 0.139 17767 6582 1 10 . 1 1 62 62 PHE CB C 62 40.030 40.030 40.794 -0.764 17767 6583 1 10 . 1 1 62 62 PHE H H 62 8.235 8.235 8.614 -0.379 17767 6584 1 10 . 1 1 63 63 THR N N 63 119.920 119.920 115.386 4.534 17767 6585 1 10 . 1 1 63 63 THR HA H 63 5.500 5.500 5.173 0.327 17767 6586 1 10 . 1 1 63 63 THR C C 63 175.600 175.600 174.763 0.837 17767 6587 1 10 . 1 1 63 63 THR CA C 63 61.170 61.170 61.194 -0.024 17767 6588 1 10 . 1 1 63 63 THR CB C 63 72.320 72.320 71.289 1.031 17767 6589 1 10 . 1 1 63 63 THR H H 63 9.650 9.650 8.415 1.235 17767 6590 1 10 . 1 1 64 64 LEU N N 64 126.300 126.300 126.905 -0.605 17767 6591 1 10 . 1 1 64 64 LEU HA H 64 4.430 4.430 4.075 0.355 17767 6592 1 10 . 1 1 64 64 LEU C C 64 178.000 178.000 178.599 -0.599 17767 6593 1 10 . 1 1 64 64 LEU CA C 64 56.100 56.100 55.910 0.190 17767 6594 1 10 . 1 1 64 64 LEU CB C 64 41.330 41.330 40.913 0.417 17767 6595 1 10 . 1 1 64 64 LEU H H 64 9.280 9.280 9.117 0.163 17767 6596 1 10 . 1 1 65 65 GLY N N 65 107.520 107.520 113.258 -5.738 17767 6597 1 10 . 1 1 65 65 GLY C C 65 173.800 173.800 173.696 0.104 17767 6598 1 10 . 1 1 65 65 GLY CA C 65 45.780 45.780 45.264 0.516 17767 6599 1 10 . 1 1 65 65 GLY H H 65 9.110 9.110 8.691 0.419 17767 6600 1 10 . 1 1 66 66 LYS N N 66 121.600 121.600 121.411 0.189 17767 6601 1 10 . 1 1 66 66 LYS HA H 66 4.780 4.780 4.539 0.241 17767 6602 1 10 . 1 1 66 66 LYS C C 66 175.600 175.600 175.038 0.562 17767 6603 1 10 . 1 1 66 66 LYS CA C 66 54.100 54.100 54.784 -0.684 17767 6604 1 10 . 1 1 66 66 LYS CB C 66 34.620 34.620 34.108 0.512 17767 6605 1 10 . 1 1 66 66 LYS H H 66 7.910 7.910 7.688 0.222 17767 6606 1 10 . 1 1 67 67 GLU N N 67 129.400 129.400 126.409 2.991 17767 6607 1 10 . 1 1 67 67 GLU HA H 67 4.070 4.070 4.013 0.057 17767 6608 1 10 . 1 1 67 67 GLU C C 67 175.030 175.030 175.587 -0.557 17767 6609 1 10 . 1 1 67 67 GLU CA C 67 59.220 59.220 57.614 1.606 17767 6610 1 10 . 1 1 67 67 GLU CB C 67 30.400 30.400 30.231 0.169 17767 6611 1 10 . 1 1 67 67 GLU H H 67 8.940 8.940 8.696 0.244 17767 6612 1 10 . 1 1 68 68 ALA N N 68 130.940 130.940 128.883 2.057 17767 6613 1 10 . 1 1 68 68 ALA HA H 68 4.900 4.900 4.684 0.216 17767 6614 1 10 . 1 1 68 68 ALA C C 68 176.000 176.000 175.241 0.759 17767 6615 1 10 . 1 1 68 68 ALA CA C 68 51.000 51.000 51.050 -0.050 17767 6616 1 10 . 1 1 68 68 ALA CB C 68 22.440 22.440 22.819 -0.379 17767 6617 1 10 . 1 1 68 68 ALA H H 68 8.660 8.660 8.053 0.607 17767 6618 1 10 . 1 1 69 69 ASP N N 69 120.500 120.500 122.346 -1.846 17767 6619 1 10 . 1 1 69 69 ASP HA H 69 5.000 5.000 4.889 0.111 17767 6620 1 10 . 1 1 69 69 ASP C C 69 174.400 174.400 176.231 -1.831 17767 6621 1 10 . 1 1 69 69 ASP CA C 69 54.670 54.670 53.937 0.733 17767 6622 1 10 . 1 1 69 69 ASP CB C 69 41.930 41.930 41.342 0.588 17767 6623 1 10 . 1 1 69 69 ASP H H 69 8.330 8.330 8.581 -0.251 17767 6624 1 10 . 1 1 70 70 ILE N N 70 125.540 125.540 122.112 3.428 17767 6625 1 10 . 1 1 70 70 ILE HA H 70 4.510 4.510 4.702 -0.192 17767 6626 1 10 . 1 1 70 70 ILE C C 70 175.300 175.300 174.370 0.930 17767 6627 1 10 . 1 1 70 70 ILE CA C 70 57.690 57.690 59.547 -1.857 17767 6628 1 10 . 1 1 70 70 ILE CB C 70 40.040 40.040 41.372 -1.332 17767 6629 1 10 . 1 1 70 70 ILE H H 70 8.850 8.850 8.297 0.553 17767 6630 1 10 . 1 1 71 71 THR N N 71 123.860 123.860 117.904 5.956 17767 6631 1 10 . 1 1 71 71 THR HA H 71 5.240 5.240 4.955 0.285 17767 6632 1 10 . 1 1 71 71 THR C C 71 174.600 174.600 174.280 0.320 17767 6633 1 10 . 1 1 71 71 THR CA C 71 61.610 61.610 61.258 0.352 17767 6634 1 10 . 1 1 71 71 THR CB C 71 70.370 70.370 70.477 -0.107 17767 6635 1 10 . 1 1 71 71 THR H H 71 9.460 9.460 8.546 0.914 17767 6636 1 10 . 1 1 72 72 THR N N 72 115.980 115.980 120.060 -4.080 17767 6637 1 10 . 1 1 72 72 THR HA H 72 4.550 4.550 4.364 0.186 17767 6638 1 10 . 1 1 72 72 THR C C 72 177.300 177.300 176.534 0.766 17767 6639 1 10 . 1 1 72 72 THR CA C 72 60.550 60.550 61.221 -0.671 17767 6640 1 10 . 1 1 72 72 THR CB C 72 70.710 70.710 70.253 0.457 17767 6641 1 10 . 1 1 72 72 THR H H 72 8.700 8.700 8.293 0.407 17767 6642 1 10 . 1 1 73 73 MET N N 73 119.830 119.830 125.285 -5.455 17767 6643 1 10 . 1 1 73 73 MET HA H 73 4.110 4.110 4.295 -0.185 17767 6644 1 10 . 1 1 73 73 MET C C 73 176.200 176.200 175.916 0.284 17767 6645 1 10 . 1 1 73 73 MET CA C 73 58.900 58.900 57.620 1.280 17767 6646 1 10 . 1 1 73 73 MET CB C 73 34.760 34.760 32.574 2.186 17767 6647 1 10 . 1 1 73 73 MET H H 73 10.360 10.360 8.660 1.700 17767 6648 1 10 . 1 1 74 74 ASP N N 74 112.220 112.220 117.446 -5.226 17767 6649 1 10 . 1 1 74 74 ASP HA H 74 4.800 4.800 4.541 0.259 17767 6650 1 10 . 1 1 74 74 ASP C C 74 175.600 175.600 176.913 -1.313 17767 6651 1 10 . 1 1 74 74 ASP CA C 74 52.630 52.630 53.771 -1.141 17767 6652 1 10 . 1 1 74 74 ASP CB C 74 38.870 38.870 40.513 -1.643 17767 6653 1 10 . 1 1 74 74 ASP H H 74 8.680 8.680 7.645 1.035 17767 6654 1 10 . 1 1 75 75 GLY N N 75 108.040 108.040 107.268 0.772 17767 6655 1 10 . 1 1 75 75 GLY C C 75 175.000 175.000 173.913 1.087 17767 6656 1 10 . 1 1 75 75 GLY CA C 75 46.400 46.400 45.153 1.248 17767 6657 1 10 . 1 1 75 75 GLY H H 75 7.600 7.600 7.687 -0.087 17767 6658 1 10 . 1 1 76 76 LYS N N 76 120.500 120.500 118.397 2.103 17767 6659 1 10 . 1 1 76 76 LYS HA H 76 4.440 4.440 4.565 -0.125 17767 6660 1 10 . 1 1 76 76 LYS C C 76 175.400 175.400 175.005 0.395 17767 6661 1 10 . 1 1 76 76 LYS CA C 76 55.240 55.240 54.534 0.706 17767 6662 1 10 . 1 1 76 76 LYS CB C 76 33.500 33.500 35.938 -2.438 17767 6663 1 10 . 1 1 76 76 LYS H H 76 8.260 8.260 7.611 0.649 17767 6664 1 10 . 1 1 77 77 LYS N N 77 119.300 119.300 123.168 -3.868 17767 6665 1 10 . 1 1 77 77 LYS HA H 77 5.370 5.370 4.620 0.750 17767 6666 1 10 . 1 1 77 77 LYS C C 77 176.100 176.100 176.074 0.026 17767 6667 1 10 . 1 1 77 77 LYS CA C 77 54.360 54.360 55.438 -1.078 17767 6668 1 10 . 1 1 77 77 LYS CB C 77 32.840 32.840 32.402 0.438 17767 6669 1 10 . 1 1 77 77 LYS H H 77 8.130 8.130 8.449 -0.319 17767 6670 1 10 . 1 1 78 78 LEU N N 78 123.860 123.860 125.132 -1.272 17767 6671 1 10 . 1 1 78 78 LEU HA H 78 4.910 4.910 4.781 0.129 17767 6672 1 10 . 1 1 78 78 LEU C C 78 175.600 175.600 174.851 0.749 17767 6673 1 10 . 1 1 78 78 LEU CA C 78 53.170 53.170 53.661 -0.491 17767 6674 1 10 . 1 1 78 78 LEU CB C 78 45.780 45.780 45.808 -0.028 17767 6675 1 10 . 1 1 78 78 LEU H H 78 9.028 9.028 8.168 0.860 17767 6676 1 10 . 1 1 79 79 LYS N N 79 119.280 119.280 119.899 -0.619 17767 6677 1 10 . 1 1 79 79 LYS HA H 79 5.615 5.615 4.932 0.683 17767 6678 1 10 . 1 1 79 79 LYS C C 79 176.600 176.600 175.505 1.095 17767 6679 1 10 . 1 1 79 79 LYS CA C 79 55.000 55.000 55.190 -0.190 17767 6680 1 10 . 1 1 79 79 LYS CB C 79 36.850 36.850 33.740 3.110 17767 6681 1 10 . 1 1 79 79 LYS H H 79 8.240 8.240 8.311 -0.071 17767 6682 1 10 . 1 1 80 80 CYS N N 80 115.980 115.980 126.800 -10.820 17767 6683 1 10 . 1 1 80 80 CYS HA H 80 4.700 4.700 4.631 0.069 17767 6684 1 10 . 1 1 80 80 CYS C C 80 173.500 173.500 175.155 -1.655 17767 6685 1 10 . 1 1 80 80 CYS CA C 80 56.500 56.500 58.097 -1.597 17767 6686 1 10 . 1 1 80 80 CYS CB C 80 45.700 45.700 26.412 19.288 17767 6687 1 10 . 1 1 80 80 CYS H H 80 8.306 8.306 8.431 -0.125 17767 6688 1 10 . 1 1 81 81 THR N N 81 122.000 122.000 127.230 -5.230 17767 6689 1 10 . 1 1 81 81 THR HA H 81 4.303 4.303 4.399 -0.096 17767 6690 1 10 . 1 1 81 81 THR C C 81 173.100 173.100 173.484 -0.384 17767 6691 1 10 . 1 1 81 81 THR CA C 81 62.460 62.460 61.956 0.504 17767 6692 1 10 . 1 1 81 81 THR CB C 81 68.200 68.200 67.932 0.268 17767 6693 1 10 . 1 1 81 81 THR H H 81 8.840 8.840 8.577 0.263 17767 6694 1 10 . 1 1 82 82 VAL N N 82 132.160 132.160 125.226 6.934 17767 6695 1 10 . 1 1 82 82 VAL HA H 82 4.449 4.449 4.847 -0.398 17767 6696 1 10 . 1 1 82 82 VAL C C 82 175.100 175.100 174.048 1.052 17767 6697 1 10 . 1 1 82 82 VAL CA C 82 61.760 61.760 59.351 2.409 17767 6698 1 10 . 1 1 82 82 VAL CB C 82 31.200 31.200 34.763 -3.563 17767 6699 1 10 . 1 1 82 82 VAL H H 82 9.520 9.520 7.554 1.966 17767 6700 1 10 . 1 1 83 83 HIS N N 83 123.860 123.860 120.860 3.000 17767 6701 1 10 . 1 1 83 83 HIS HA H 83 5.009 5.009 4.808 0.201 17767 6702 1 10 . 1 1 83 83 HIS C C 83 173.500 173.500 173.009 0.491 17767 6703 1 10 . 1 1 83 83 HIS CA C 83 55.300 55.300 54.268 1.032 17767 6704 1 10 . 1 1 83 83 HIS CB C 83 33.400 33.400 32.012 1.388 17767 6705 1 10 . 1 1 83 83 HIS H H 83 8.740 8.740 7.781 0.959 17767 6706 1 10 . 1 1 84 84 LEU N N 84 121.600 121.600 124.402 -2.802 17767 6707 1 10 . 1 1 84 84 LEU HA H 84 5.420 5.420 5.063 0.357 17767 6708 1 10 . 1 1 84 84 LEU C C 84 176.500 176.500 175.441 1.059 17767 6709 1 10 . 1 1 84 84 LEU CA C 84 53.790 53.790 54.660 -0.869 17767 6710 1 10 . 1 1 84 84 LEU CB C 84 44.740 44.740 42.866 1.874 17767 6711 1 10 . 1 1 84 84 LEU H H 84 8.850 8.850 8.587 0.263 17767 6712 1 10 . 1 1 85 85 ALA N N 85 128.800 128.800 130.952 -2.152 17767 6713 1 10 . 1 1 85 85 ALA HA H 85 4.750 4.750 4.702 0.048 17767 6714 1 10 . 1 1 85 85 ALA C C 85 177.000 177.000 176.712 0.288 17767 6715 1 10 . 1 1 85 85 ALA CA C 85 51.480 51.480 51.253 0.227 17767 6716 1 10 . 1 1 85 85 ALA CB C 85 20.910 20.910 20.656 0.254 17767 6717 1 10 . 1 1 85 85 ALA H H 85 9.230 9.230 9.031 0.199 17767 6718 1 10 . 1 1 86 86 ASN HA H 86 4.430 4.430 4.382 0.048 17767 6719 1 10 . 1 1 86 86 ASN C C 86 175.400 175.400 175.238 0.162 17767 6720 1 10 . 1 1 86 86 ASN CA C 86 54.140 54.140 53.928 0.211 17767 6721 1 10 . 1 1 86 86 ASN CB C 86 37.550 37.550 37.145 0.405 17767 6722 1 10 . 1 1 87 87 GLY N N 87 103.430 103.430 102.295 1.135 17767 6723 1 10 . 1 1 87 87 GLY C C 87 173.800 173.800 173.395 0.405 17767 6724 1 10 . 1 1 87 87 GLY CA C 87 45.670 45.670 45.200 0.470 17767 6725 1 10 . 1 1 87 87 GLY H H 87 8.620 8.620 8.595 0.025 17767 6726 1 10 . 1 1 88 88 LYS N N 88 120.490 120.490 118.843 1.647 17767 6727 1 10 . 1 1 88 88 LYS HA H 88 5.120 5.120 5.071 0.049 17767 6728 1 10 . 1 1 88 88 LYS C C 88 175.500 175.500 174.450 1.050 17767 6729 1 10 . 1 1 88 88 LYS CA C 88 55.140 55.140 54.867 0.273 17767 6730 1 10 . 1 1 88 88 LYS CB C 88 34.610 34.610 36.031 -1.421 17767 6731 1 10 . 1 1 88 88 LYS H H 88 7.880 7.880 7.560 0.320 17767 6732 1 10 . 1 1 89 89 LEU N N 89 124.420 124.420 124.601 -0.181 17767 6733 1 10 . 1 1 89 89 LEU HA H 89 4.730 4.730 4.654 0.076 17767 6734 1 10 . 1 1 89 89 LEU C C 89 176.700 176.700 174.951 1.749 17767 6735 1 10 . 1 1 89 89 LEU CA C 89 54.500 54.500 53.847 0.653 17767 6736 1 10 . 1 1 89 89 LEU CB C 89 44.150 44.150 43.107 1.043 17767 6737 1 10 . 1 1 89 89 LEU H H 89 8.780 8.780 8.517 0.263 17767 6738 1 10 . 1 1 90 90 VAL N N 90 122.500 122.500 125.923 -3.423 17767 6739 1 10 . 1 1 90 90 VAL HA H 90 5.420 5.420 4.650 0.770 17767 6740 1 10 . 1 1 90 90 VAL C C 90 175.200 175.200 174.665 0.535 17767 6741 1 10 . 1 1 90 90 VAL CA C 90 60.350 60.350 60.997 -0.647 17767 6742 1 10 . 1 1 90 90 VAL CB C 90 35.930 35.930 32.703 3.227 17767 6743 1 10 . 1 1 90 90 VAL H H 90 9.050 9.050 8.537 0.513 17767 6744 1 10 . 1 1 91 91 CYS N N 91 123.100 123.100 129.656 -6.556 17767 6745 1 10 . 1 1 91 91 CYS HA H 91 5.370 5.370 4.659 0.711 17767 6746 1 10 . 1 1 91 91 CYS C C 91 172.700 172.700 173.795 -1.095 17767 6747 1 10 . 1 1 91 91 CYS CA C 91 55.230 55.230 57.157 -1.927 17767 6748 1 10 . 1 1 91 91 CYS CB C 91 42.970 42.970 26.104 16.866 17767 6749 1 10 . 1 1 91 91 CYS H H 91 8.820 8.820 8.637 0.183 17767 6750 1 10 . 1 1 92 92 LYS N N 92 128.900 128.900 129.537 -0.637 17767 6751 1 10 . 1 1 92 92 LYS HA H 92 5.000 5.000 4.609 0.391 17767 6752 1 10 . 1 1 92 92 LYS C C 92 174.270 174.270 175.380 -1.110 17767 6753 1 10 . 1 1 92 92 LYS CA C 92 55.360 55.360 55.570 -0.210 17767 6754 1 10 . 1 1 92 92 LYS CB C 92 35.960 35.960 35.371 0.589 17767 6755 1 10 . 1 1 92 92 LYS H H 92 9.450 9.450 8.032 1.418 17767 6756 1 10 . 1 1 93 93 SER N N 93 119.300 119.300 119.111 0.189 17767 6757 1 10 . 1 1 93 93 SER HA H 93 4.710 4.710 4.775 -0.065 17767 6758 1 10 . 1 1 93 93 SER C C 93 174.200 174.200 174.714 -0.514 17767 6759 1 10 . 1 1 93 93 SER CA C 93 55.430 55.430 56.385 -0.955 17767 6760 1 10 . 1 1 93 93 SER CB C 93 66.460 66.460 65.439 1.021 17767 6761 1 10 . 1 1 93 93 SER H H 93 8.620 8.620 8.888 -0.268 17767 6762 1 10 . 1 1 94 94 GLU N N 94 119.900 119.900 121.131 -1.231 17767 6763 1 10 . 1 1 94 94 GLU HA H 94 4.090 4.090 4.228 -0.138 17767 6764 1 10 . 1 1 94 94 GLU C C 94 177.600 177.600 176.423 1.177 17767 6765 1 10 . 1 1 94 94 GLU CA C 94 59.440 59.440 58.063 1.377 17767 6766 1 10 . 1 1 94 94 GLU CB C 94 29.360 29.360 29.615 -0.255 17767 6767 1 10 . 1 1 94 94 GLU H H 94 8.670 8.670 8.475 0.195 17767 6768 1 10 . 1 1 95 95 LYS N N 95 113.500 113.500 117.996 -4.496 17767 6769 1 10 . 1 1 95 95 LYS HA H 95 4.430 4.430 4.101 0.329 17767 6770 1 10 . 1 1 95 95 LYS C C 95 175.980 175.980 174.739 1.241 17767 6771 1 10 . 1 1 95 95 LYS CA C 95 56.180 56.180 56.130 0.050 17767 6772 1 10 . 1 1 95 95 LYS CB C 95 35.220 35.220 32.727 2.493 17767 6773 1 10 . 1 1 95 95 LYS H H 95 8.300 8.300 8.004 0.296 17767 6774 1 10 . 1 1 96 96 PHE N N 96 113.270 113.270 116.194 -2.924 17767 6775 1 10 . 1 1 96 96 PHE HA H 96 5.860 5.860 4.515 1.345 17767 6776 1 10 . 1 1 96 96 PHE C C 96 173.900 173.900 173.962 -0.062 17767 6777 1 10 . 1 1 96 96 PHE CA C 96 55.890 55.890 55.874 0.016 17767 6778 1 10 . 1 1 96 96 PHE CB C 96 43.560 43.560 42.144 1.416 17767 6779 1 10 . 1 1 96 96 PHE H H 96 7.000 7.000 7.315 -0.315 17767 6780 1 10 . 1 1 97 97 SER N N 97 112.050 112.050 112.630 -0.580 17767 6781 1 10 . 1 1 97 97 SER HA H 97 5.220 5.220 4.831 0.389 17767 6782 1 10 . 1 1 97 97 SER C C 97 172.560 172.560 172.648 -0.088 17767 6783 1 10 . 1 1 97 97 SER CA C 97 57.870 57.870 57.585 0.285 17767 6784 1 10 . 1 1 97 97 SER CB C 97 65.990 65.990 65.912 0.078 17767 6785 1 10 . 1 1 97 97 SER H H 97 8.790 8.790 8.718 0.072 17767 6786 1 10 . 1 1 98 98 HIS N N 98 126.300 126.300 122.917 3.383 17767 6787 1 10 . 1 1 98 98 HIS HA H 98 5.190 5.190 5.077 0.113 17767 6788 1 10 . 1 1 98 98 HIS C C 98 174.500 174.500 173.288 1.212 17767 6789 1 10 . 1 1 98 98 HIS CA C 98 56.260 56.260 54.665 1.595 17767 6790 1 10 . 1 1 98 98 HIS CB C 98 36.270 36.270 32.775 3.495 17767 6791 1 10 . 1 1 98 98 HIS H H 98 9.190 9.190 8.637 0.553 17767 6792 1 10 . 1 1 99 99 GLU N N 99 126.670 126.670 128.638 -1.968 17767 6793 1 10 . 1 1 99 99 GLU HA H 99 5.390 5.390 4.771 0.619 17767 6794 1 10 . 1 1 99 99 GLU C C 99 175.400 175.400 174.463 0.937 17767 6795 1 10 . 1 1 99 99 GLU CA C 99 55.000 55.000 54.946 0.054 17767 6796 1 10 . 1 1 99 99 GLU CB C 99 34.000 34.000 32.745 1.255 17767 6797 1 10 . 1 1 99 99 GLU H H 99 8.350 8.350 8.918 -0.568 17767 6798 1 10 . 1 1 101 101 GLU N N 101 125.500 125.500 127.197 -1.697 17767 6799 1 10 . 1 1 101 101 GLU HA H 101 5.160 5.160 4.730 0.430 17767 6800 1 10 . 1 1 101 101 GLU CA C 101 54.090 54.090 54.313 -0.223 17767 6801 1 10 . 1 1 101 101 GLU CB C 101 34.800 34.800 32.977 1.823 17767 6802 1 10 . 1 1 101 101 GLU H H 101 8.900 8.900 8.899 0.001 17767 6803 1 10 . 1 1 102 102 VAL N N 102 124.420 124.420 124.787 -0.367 17767 6804 1 10 . 1 1 102 102 VAL HA H 102 4.630 4.630 4.473 0.157 17767 6805 1 10 . 1 1 102 102 VAL C C 102 175.200 175.200 175.312 -0.112 17767 6806 1 10 . 1 1 102 102 VAL CA C 102 61.380 61.380 60.901 0.479 17767 6807 1 10 . 1 1 102 102 VAL CB C 102 34.100 34.100 32.928 1.172 17767 6808 1 10 . 1 1 102 102 VAL H H 102 8.790 8.790 8.537 0.253 17767 6809 1 10 . 1 1 103 103 LYS N N 103 129.480 129.480 128.363 1.117 17767 6810 1 10 . 1 1 103 103 LYS HA H 103 4.570 4.570 4.560 0.010 17767 6811 1 10 . 1 1 103 103 LYS C C 103 176.500 176.500 176.835 -0.335 17767 6812 1 10 . 1 1 103 103 LYS CA C 103 55.340 55.340 55.051 0.289 17767 6813 1 10 . 1 1 103 103 LYS CB C 103 33.760 33.760 33.401 0.359 17767 6814 1 10 . 1 1 103 103 LYS H H 103 8.950 8.950 9.093 -0.143 17767 6815 1 10 . 1 1 104 104 GLY N N 104 116.700 116.700 117.273 -0.573 17767 6816 1 10 . 1 1 104 104 GLY C C 104 174.500 174.500 174.818 -0.318 17767 6817 1 10 . 1 1 104 104 GLY CA C 104 47.680 47.680 47.258 0.422 17767 6818 1 10 . 1 1 104 104 GLY H H 104 9.140 9.140 8.898 0.242 17767 6819 1 10 . 1 1 105 105 ASN N N 105 125.540 125.540 122.993 2.547 17767 6820 1 10 . 1 1 105 105 ASN HA H 105 5.000 5.000 4.942 0.058 17767 6821 1 10 . 1 1 105 105 ASN CA C 105 53.130 53.130 53.006 0.124 17767 6822 1 10 . 1 1 105 105 ASN CB C 105 39.060 39.060 39.780 -0.720 17767 6823 1 10 . 1 1 105 105 ASN H H 105 9.030 9.030 8.505 0.525 17767 6824 1 10 . 1 1 106 106 GLU N N 106 120.480 120.480 121.111 -0.631 17767 6825 1 10 . 1 1 106 106 GLU HA H 106 5.550 5.550 5.316 0.234 17767 6826 1 10 . 1 1 106 106 GLU CA C 106 55.550 55.550 55.256 0.294 17767 6827 1 10 . 1 1 106 106 GLU CB C 106 33.160 33.160 33.331 -0.171 17767 6828 1 10 . 1 1 106 106 GLU H H 106 8.100 8.100 8.193 -0.093 17767 6829 1 10 . 1 1 107 107 MET N N 107 124.080 124.080 124.869 -0.789 17767 6830 1 10 . 1 1 107 107 MET HA H 107 5.120 5.120 5.232 -0.112 17767 6831 1 10 . 1 1 107 107 MET CA C 107 53.700 53.700 53.916 -0.216 17767 6832 1 10 . 1 1 107 107 MET CB C 107 36.800 36.800 35.136 1.664 17767 6833 1 10 . 1 1 107 107 MET H H 107 8.930 8.930 9.408 -0.478 17767 6834 1 10 . 1 1 108 108 VAL N N 108 126.820 126.820 127.772 -0.952 17767 6835 1 10 . 1 1 108 108 VAL HA H 108 5.250 5.250 4.679 0.571 17767 6836 1 10 . 1 1 108 108 VAL CA C 108 61.340 61.340 60.295 1.045 17767 6837 1 10 . 1 1 108 108 VAL CB C 108 34.900 34.900 32.185 2.715 17767 6838 1 10 . 1 1 108 108 VAL H H 108 9.017 9.017 8.947 0.070 17767 6839 1 10 . 1 1 109 109 GLU N N 109 128.300 128.300 127.197 1.103 17767 6840 1 10 . 1 1 109 109 GLU HA H 109 5.040 5.040 5.283 -0.243 17767 6841 1 10 . 1 1 109 109 GLU C C 109 174.410 174.410 175.467 -1.057 17767 6842 1 10 . 1 1 109 109 GLU CA C 109 54.440 54.440 54.277 0.163 17767 6843 1 10 . 1 1 109 109 GLU CB C 109 34.760 34.760 33.462 1.298 17767 6844 1 10 . 1 1 109 109 GLU H H 109 9.100 9.100 8.787 0.313 17767 6845 1 10 . 1 1 110 110 THR N N 110 120.760 120.760 118.860 1.900 17767 6846 1 10 . 1 1 110 110 THR HA H 110 4.850 4.850 5.026 -0.176 17767 6847 1 10 . 1 1 110 110 THR C C 110 174.900 174.900 173.693 1.207 17767 6848 1 10 . 1 1 110 110 THR CA C 110 61.980 61.980 61.310 0.670 17767 6849 1 10 . 1 1 110 110 THR CB C 110 69.520 69.520 69.692 -0.172 17767 6850 1 10 . 1 1 110 110 THR H H 110 8.876 8.876 8.963 -0.087 17767 6851 1 10 . 1 1 111 111 ILE N N 111 131.030 131.030 126.267 4.763 17767 6852 1 10 . 1 1 111 111 ILE HA H 111 5.240 5.240 4.643 0.597 17767 6853 1 10 . 1 1 111 111 ILE C C 111 174.600 174.600 174.955 -0.355 17767 6854 1 10 . 1 1 111 111 ILE CA C 111 60.310 60.310 59.189 1.121 17767 6855 1 10 . 1 1 111 111 ILE CB C 111 41.220 41.220 40.463 0.757 17767 6856 1 10 . 1 1 111 111 ILE H H 111 9.490 9.490 8.724 0.766 17767 6857 1 10 . 1 1 112 112 THR N N 112 122.800 122.800 117.906 4.894 17767 6858 1 10 . 1 1 112 112 THR HA H 112 5.960 5.960 4.994 0.966 17767 6859 1 10 . 1 1 112 112 THR C C 112 174.370 174.370 173.264 1.106 17767 6860 1 10 . 1 1 112 112 THR CA C 112 61.180 61.180 62.059 -0.879 17767 6861 1 10 . 1 1 112 112 THR CB C 112 71.250 71.250 70.407 0.843 17767 6862 1 10 . 1 1 112 112 THR H H 112 9.490 9.490 8.175 1.315 17767 6863 1 10 . 1 1 113 113 PHE N N 113 124.980 124.980 124.827 0.153 17767 6864 1 10 . 1 1 113 113 PHE HA H 113 4.820 4.820 4.704 0.116 17767 6865 1 10 . 1 1 113 113 PHE C C 113 175.700 175.700 175.845 -0.145 17767 6866 1 10 . 1 1 113 113 PHE CA C 113 58.800 58.800 57.688 1.112 17767 6867 1 10 . 1 1 113 113 PHE CB C 113 43.480 43.480 42.710 0.770 17767 6868 1 10 . 1 1 113 113 PHE H H 113 9.000 9.000 8.503 0.497 17767 6869 1 10 . 1 1 114 114 GLY N N 114 116.550 116.550 111.816 4.734 17767 6870 1 10 . 1 1 114 114 GLY C C 114 175.300 175.300 174.685 0.615 17767 6871 1 10 . 1 1 114 114 GLY CA C 114 46.840 46.840 45.824 1.016 17767 6872 1 10 . 1 1 114 114 GLY H H 114 8.410 8.410 9.215 -0.805 17767 6873 1 10 . 1 1 115 115 GLY N N 115 105.640 105.640 106.726 -1.086 17767 6874 1 10 . 1 1 115 115 GLY C C 115 174.200 174.200 173.861 0.339 17767 6875 1 10 . 1 1 115 115 GLY CA C 115 44.890 44.890 44.990 -0.100 17767 6876 1 10 . 1 1 115 115 GLY H H 115 8.560 8.560 8.237 0.323 17767 6877 1 10 . 1 1 116 116 VAL N N 116 123.600 123.600 121.054 2.546 17767 6878 1 10 . 1 1 116 116 VAL HA H 116 4.310 4.310 4.364 -0.054 17767 6879 1 10 . 1 1 116 116 VAL C C 116 174.640 174.640 174.777 -0.137 17767 6880 1 10 . 1 1 116 116 VAL CA C 116 62.250 62.250 60.598 1.652 17767 6881 1 10 . 1 1 116 116 VAL CB C 116 34.170 34.170 33.714 0.456 17767 6882 1 10 . 1 1 116 116 VAL H H 116 8.164 8.164 7.721 0.443 17767 6883 1 10 . 1 1 117 117 THR N N 117 123.270 123.270 123.506 -0.236 17767 6884 1 10 . 1 1 117 117 THR HA H 117 5.250 5.250 4.571 0.679 17767 6885 1 10 . 1 1 117 117 THR C C 117 173.800 173.800 173.489 0.311 17767 6886 1 10 . 1 1 117 117 THR CA C 117 61.900 61.900 61.455 0.445 17767 6887 1 10 . 1 1 117 117 THR CB C 117 70.450 70.450 68.096 2.354 17767 6888 1 10 . 1 1 117 117 THR H H 117 8.770 8.770 8.481 0.289 17767 6889 1 10 . 1 1 118 118 LEU N N 118 132.800 132.800 129.861 2.939 17767 6890 1 10 . 1 1 118 118 LEU HA H 118 4.880 4.880 4.932 -0.052 17767 6891 1 10 . 1 1 118 118 LEU C C 118 175.200 175.200 175.133 0.067 17767 6892 1 10 . 1 1 118 118 LEU CA C 118 53.570 53.570 53.889 -0.319 17767 6893 1 10 . 1 1 118 118 LEU CB C 118 44.730 44.730 42.675 2.054 17767 6894 1 10 . 1 1 118 118 LEU H H 118 9.700 9.700 7.577 2.123 17767 6895 1 10 . 1 1 119 119 ILE N N 119 124.980 124.980 128.048 -3.068 17767 6896 1 10 . 1 1 119 119 ILE HA H 119 5.240 5.240 4.668 0.572 17767 6897 1 10 . 1 1 119 119 ILE C C 119 175.900 175.900 175.693 0.207 17767 6898 1 10 . 1 1 119 119 ILE CA C 119 59.340 59.340 60.470 -1.130 17767 6899 1 10 . 1 1 119 119 ILE CB C 119 39.550 39.550 38.394 1.156 17767 6900 1 10 . 1 1 119 119 ILE H H 119 7.800 7.800 8.030 -0.230 17767 6901 1 10 . 1 1 120 120 ARG N N 120 126.110 126.110 126.804 -0.694 17767 6902 1 10 . 1 1 120 120 ARG HA H 120 5.040 5.040 4.758 0.282 17767 6903 1 10 . 1 1 120 120 ARG C C 120 175.300 175.300 174.552 0.748 17767 6904 1 10 . 1 1 120 120 ARG CA C 120 54.990 54.990 54.437 0.553 17767 6905 1 10 . 1 1 120 120 ARG CB C 120 34.760 34.760 34.445 0.315 17767 6906 1 10 . 1 1 120 120 ARG H H 120 9.400 9.400 8.903 0.497 17767 6907 1 10 . 1 1 121 121 ARG N N 121 126.600 126.600 121.059 5.541 17767 6908 1 10 . 1 1 121 121 ARG HA H 121 5.350 5.350 4.764 0.586 17767 6909 1 10 . 1 1 121 121 ARG C C 121 175.020 175.020 174.569 0.451 17767 6910 1 10 . 1 1 121 121 ARG CA C 121 55.250 55.250 55.351 -0.101 17767 6911 1 10 . 1 1 121 121 ARG CB C 121 31.830 31.830 33.108 -1.278 17767 6912 1 10 . 1 1 121 121 ARG H H 121 9.110 9.110 8.234 0.876 17767 6913 1 10 . 1 1 122 122 SER N N 122 118.200 118.200 119.815 -1.615 17767 6914 1 10 . 1 1 122 122 SER HA H 122 5.730 5.730 5.303 0.427 17767 6915 1 10 . 1 1 122 122 SER C C 122 173.010 173.010 173.474 -0.464 17767 6916 1 10 . 1 1 122 122 SER CA C 122 58.100 58.100 57.399 0.701 17767 6917 1 10 . 1 1 122 122 SER CB C 122 66.850 66.850 66.350 0.500 17767 6918 1 10 . 1 1 122 122 SER H H 122 9.290 9.290 9.254 0.036 17767 6919 1 10 . 1 1 123 123 LYS N N 123 120.480 120.480 123.089 -2.609 17767 6920 1 10 . 1 1 123 123 LYS HA H 123 5.780 5.780 5.299 0.481 17767 6921 1 10 . 1 1 123 123 LYS C C 123 175.600 175.600 175.918 -0.318 17767 6922 1 10 . 1 1 123 123 LYS CA C 123 54.130 54.130 54.950 -0.820 17767 6923 1 10 . 1 1 123 123 LYS CB C 123 36.330 36.330 35.910 0.420 17767 6924 1 10 . 1 1 123 123 LYS H H 123 8.650 8.650 8.971 -0.321 17767 6925 1 10 . 1 1 124 124 ARG N N 124 124.980 124.980 125.761 -0.781 17767 6926 1 10 . 1 1 124 124 ARG HA H 124 3.940 3.940 4.736 -0.796 17767 6927 1 10 . 1 1 124 124 ARG C C 124 176.500 176.500 175.566 0.934 17767 6928 1 10 . 1 1 124 124 ARG CA C 124 56.900 56.900 57.194 -0.294 17767 6929 1 10 . 1 1 124 124 ARG CB C 124 30.380 30.380 30.920 -0.540 17767 6930 1 10 . 1 1 124 124 ARG H H 124 8.200 8.200 9.093 -0.893 17767 6931 1 11 . 1 1 2 2 PHE HA H 2 4.460 4.460 4.736 -0.276 17767 6932 1 11 . 1 1 2 2 PHE C C 2 175.900 175.900 176.101 -0.201 17767 6933 1 11 . 1 1 2 2 PHE CA C 2 61.170 61.170 59.065 2.105 17767 6934 1 11 . 1 1 2 2 PHE CB C 2 40.690 40.690 39.808 0.882 17767 6935 1 11 . 1 1 3 3 SER N N 3 111.380 111.380 115.055 -3.675 17767 6936 1 11 . 1 1 3 3 SER HA H 3 4.420 4.420 4.375 0.045 17767 6937 1 11 . 1 1 3 3 SER C C 3 174.700 174.700 174.856 -0.156 17767 6938 1 11 . 1 1 3 3 SER CA C 3 60.000 60.000 59.292 0.708 17767 6939 1 11 . 1 1 3 3 SER CB C 3 64.140 64.140 62.526 1.615 17767 6940 1 11 . 1 1 3 3 SER H H 3 7.968 7.968 8.036 -0.068 17767 6941 1 11 . 1 1 4 4 GLY N N 4 111.480 111.480 113.474 -1.994 17767 6942 1 11 . 1 1 4 4 GLY C C 4 171.800 171.800 171.672 0.128 17767 6943 1 11 . 1 1 4 4 GLY CA C 4 44.150 44.150 45.575 -1.425 17767 6944 1 11 . 1 1 4 4 GLY H H 4 9.080 9.080 8.679 0.401 17767 6945 1 11 . 1 1 5 5 THR N N 5 117.770 117.770 112.977 4.793 17767 6946 1 11 . 1 1 5 5 THR HA H 5 4.980 4.980 5.090 -0.110 17767 6947 1 11 . 1 1 5 5 THR C C 5 173.190 173.190 173.504 -0.314 17767 6948 1 11 . 1 1 5 5 THR CA C 5 62.930 62.930 60.952 1.978 17767 6949 1 11 . 1 1 5 5 THR CB C 5 69.310 69.310 70.620 -1.310 17767 6950 1 11 . 1 1 5 5 THR H H 5 8.270 8.270 7.865 0.405 17767 6951 1 11 . 1 1 6 6 TRP N N 6 127.500 127.500 126.788 0.712 17767 6952 1 11 . 1 1 6 6 TRP HA H 6 5.130 5.130 5.231 -0.101 17767 6953 1 11 . 1 1 6 6 TRP CA C 6 55.300 55.300 55.516 -0.216 17767 6954 1 11 . 1 1 6 6 TRP CB C 6 32.290 32.290 31.302 0.989 17767 6955 1 11 . 1 1 6 6 TRP H H 6 9.560 9.560 8.914 0.646 17767 6956 1 11 . 1 1 7 7 GLN HA H 7 4.970 4.970 4.695 0.275 17767 6957 1 11 . 1 1 7 7 GLN C C 7 175.900 175.900 174.549 1.351 17767 6958 1 11 . 1 1 7 7 GLN CA C 7 54.720 54.720 55.037 -0.317 17767 6959 1 11 . 1 1 7 7 GLN CB C 7 32.400 32.400 30.866 1.534 17767 6960 1 11 . 1 1 8 8 VAL N N 8 131.400 131.400 129.153 2.247 17767 6961 1 11 . 1 1 8 8 VAL HA H 8 4.450 4.450 4.951 -0.501 17767 6962 1 11 . 1 1 8 8 VAL CA C 8 63.500 63.500 61.552 1.948 17767 6963 1 11 . 1 1 8 8 VAL CB C 8 32.300 32.300 32.850 -0.550 17767 6964 1 11 . 1 1 8 8 VAL H H 8 8.270 8.270 8.153 0.117 17767 6965 1 11 . 1 1 9 9 TYR N N 9 123.300 123.300 122.333 0.967 17767 6966 1 11 . 1 1 9 9 TYR HA H 9 5.140 5.140 4.974 0.166 17767 6967 1 11 . 1 1 9 9 TYR C C 9 174.600 174.600 173.241 1.359 17767 6968 1 11 . 1 1 9 9 TYR CA C 9 56.600 56.600 55.564 1.036 17767 6969 1 11 . 1 1 9 9 TYR CB C 9 40.880 40.880 40.954 -0.074 17767 6970 1 11 . 1 1 9 9 TYR H H 9 9.570 9.570 9.238 0.332 17767 6971 1 11 . 1 1 10 10 ALA N N 10 125.800 125.800 126.469 -0.669 17767 6972 1 11 . 1 1 10 10 ALA HA H 10 4.680 4.680 4.524 0.156 17767 6973 1 11 . 1 1 10 10 ALA C C 10 175.200 175.200 175.125 0.075 17767 6974 1 11 . 1 1 10 10 ALA CA C 10 51.780 51.780 52.643 -0.863 17767 6975 1 11 . 1 1 10 10 ALA CB C 10 22.070 22.070 20.773 1.297 17767 6976 1 11 . 1 1 10 10 ALA H H 10 7.330 7.330 8.259 -0.929 17767 6977 1 11 . 1 1 11 11 GLN N N 11 118.300 118.300 118.840 -0.540 17767 6978 1 11 . 1 1 11 11 GLN HA H 11 5.370 5.370 4.639 0.731 17767 6979 1 11 . 1 1 11 11 GLN C C 11 174.700 174.700 175.654 -0.954 17767 6980 1 11 . 1 1 11 11 GLN CA C 11 54.460 54.460 55.668 -1.208 17767 6981 1 11 . 1 1 11 11 GLN CB C 11 32.870 32.870 29.131 3.739 17767 6982 1 11 . 1 1 11 11 GLN H H 11 8.700 8.700 8.696 0.004 17767 6983 1 11 . 1 1 12 12 GLU N N 12 123.800 123.800 120.281 3.519 17767 6984 1 11 . 1 1 12 12 GLU HA H 12 4.600 4.600 4.461 0.139 17767 6985 1 11 . 1 1 12 12 GLU C C 12 175.700 175.700 176.918 -1.218 17767 6986 1 11 . 1 1 12 12 GLU CA C 12 55.300 55.300 55.206 0.093 17767 6987 1 11 . 1 1 12 12 GLU CB C 12 31.760 31.760 30.731 1.029 17767 6988 1 11 . 1 1 12 12 GLU H H 12 9.130 9.130 8.462 0.668 17767 6989 1 11 . 1 1 13 13 ASN N N 13 117.550 117.550 120.287 -2.737 17767 6990 1 11 . 1 1 13 13 ASN HA H 13 4.790 4.790 4.728 0.062 17767 6991 1 11 . 1 1 13 13 ASN C C 13 175.600 175.600 174.761 0.839 17767 6992 1 11 . 1 1 13 13 ASN CA C 13 54.100 54.100 53.672 0.428 17767 6993 1 11 . 1 1 13 13 ASN CB C 13 37.100 37.100 37.046 0.054 17767 6994 1 11 . 1 1 13 13 ASN H H 13 9.130 9.130 8.907 0.223 17767 6995 1 11 . 1 1 14 14 TYR N N 14 118.280 118.280 123.979 -5.699 17767 6996 1 11 . 1 1 14 14 TYR HA H 14 4.360 4.360 4.402 -0.042 17767 6997 1 11 . 1 1 14 14 TYR C C 14 176.500 176.500 176.623 -0.123 17767 6998 1 11 . 1 1 14 14 TYR CA C 14 60.590 60.590 62.059 -1.469 17767 6999 1 11 . 1 1 14 14 TYR CB C 14 39.450 39.450 39.843 -0.393 17767 7000 1 11 . 1 1 14 14 TYR H H 14 7.900 7.900 8.530 -0.630 17767 7001 1 11 . 1 1 15 15 GLU N N 15 118.600 118.600 118.647 -0.047 17767 7002 1 11 . 1 1 15 15 GLU HA H 15 3.550 3.550 3.988 -0.438 17767 7003 1 11 . 1 1 15 15 GLU C C 15 178.500 178.500 178.442 0.058 17767 7004 1 11 . 1 1 15 15 GLU CA C 15 61.170 61.170 59.798 1.372 17767 7005 1 11 . 1 1 15 15 GLU CB C 15 28.700 28.700 28.793 -0.093 17767 7006 1 11 . 1 1 15 15 GLU H H 15 8.960 8.960 9.137 -0.177 17767 7007 1 11 . 1 1 16 16 GLU N N 16 118.800 118.800 119.535 -0.735 17767 7008 1 11 . 1 1 16 16 GLU HA H 16 3.880 3.880 4.109 -0.229 17767 7009 1 11 . 1 1 16 16 GLU C C 16 178.600 178.600 178.280 0.320 17767 7010 1 11 . 1 1 16 16 GLU CA C 16 60.300 60.300 58.917 1.383 17767 7011 1 11 . 1 1 16 16 GLU CB C 16 28.600 28.600 29.368 -0.768 17767 7012 1 11 . 1 1 16 16 GLU H H 16 9.090 9.090 8.503 0.587 17767 7013 1 11 . 1 1 17 17 PHE N N 17 124.200 124.200 119.944 4.256 17767 7014 1 11 . 1 1 17 17 PHE HA H 17 3.960 3.960 4.279 -0.319 17767 7015 1 11 . 1 1 17 17 PHE C C 17 176.400 176.400 176.990 -0.590 17767 7016 1 11 . 1 1 17 17 PHE CA C 17 62.350 62.350 59.613 2.737 17767 7017 1 11 . 1 1 17 17 PHE CB C 17 40.380 40.380 38.984 1.396 17767 7018 1 11 . 1 1 17 17 PHE H H 17 8.410 8.410 7.443 0.967 17767 7019 1 11 . 1 1 18 18 LEU N N 18 116.400 116.400 118.748 -2.348 17767 7020 1 11 . 1 1 18 18 LEU HA H 18 3.780 3.780 3.480 0.300 17767 7021 1 11 . 1 1 18 18 LEU C C 18 178.800 178.800 178.733 0.067 17767 7022 1 11 . 1 1 18 18 LEU CA C 18 58.240 58.240 57.882 0.358 17767 7023 1 11 . 1 1 18 18 LEU CB C 18 41.220 41.220 41.173 0.047 17767 7024 1 11 . 1 1 18 18 LEU H H 18 8.200 8.200 7.841 0.359 17767 7025 1 11 . 1 1 19 19 LYS N N 19 116.590 116.590 117.688 -1.098 17767 7026 1 11 . 1 1 19 19 LYS HA H 19 4.040 4.040 4.080 -0.040 17767 7027 1 11 . 1 1 19 19 LYS C C 19 179.800 179.800 179.184 0.616 17767 7028 1 11 . 1 1 19 19 LYS CA C 19 58.820 58.820 58.837 -0.017 17767 7029 1 11 . 1 1 19 19 LYS CB C 19 32.150 32.150 32.018 0.132 17767 7030 1 11 . 1 1 19 19 LYS H H 19 7.790 7.790 7.607 0.183 17767 7031 1 11 . 1 1 20 20 ALA N N 20 126.110 126.110 120.008 6.102 17767 7032 1 11 . 1 1 20 20 ALA HA H 20 4.160 4.160 4.234 -0.074 17767 7033 1 11 . 1 1 20 20 ALA C C 20 178.600 178.600 178.052 0.548 17767 7034 1 11 . 1 1 20 20 ALA CA C 20 55.300 55.300 53.874 1.426 17767 7035 1 11 . 1 1 20 20 ALA CB C 20 17.700 17.700 18.285 -0.585 17767 7036 1 11 . 1 1 20 20 ALA H H 20 7.990 7.990 7.251 0.739 17767 7037 1 11 . 1 1 21 21 LEU N N 21 117.110 117.110 117.118 -0.008 17767 7038 1 11 . 1 1 21 21 LEU HA H 21 3.688 3.688 4.282 -0.594 17767 7039 1 11 . 1 1 21 21 LEU C C 21 176.100 176.100 176.071 0.029 17767 7040 1 11 . 1 1 21 21 LEU CA C 21 55.400 55.400 53.893 1.507 17767 7041 1 11 . 1 1 21 21 LEU CB C 21 42.700 42.700 41.737 0.963 17767 7042 1 11 . 1 1 21 21 LEU H H 21 7.380 7.380 6.994 0.386 17767 7043 1 11 . 1 1 22 22 ALA N N 22 118.800 118.800 119.348 -0.548 17767 7044 1 11 . 1 1 22 22 ALA HA H 22 3.985 3.985 3.951 0.034 17767 7045 1 11 . 1 1 22 22 ALA C C 22 177.000 177.000 176.898 0.102 17767 7046 1 11 . 1 1 22 22 ALA CA C 22 52.370 52.370 52.766 -0.396 17767 7047 1 11 . 1 1 22 22 ALA CB C 22 15.960 15.960 16.670 -0.710 17767 7048 1 11 . 1 1 22 22 ALA H H 22 7.920 7.920 7.391 0.528 17767 7049 1 11 . 1 1 23 23 LEU N N 23 118.470 118.470 118.952 -0.482 17767 7050 1 11 . 1 1 23 23 LEU HA H 23 4.425 4.425 4.483 -0.058 17767 7051 1 11 . 1 1 23 23 LEU C C 23 174.500 174.500 174.977 -0.477 17767 7052 1 11 . 1 1 23 23 LEU CA C 23 54.130 54.130 52.020 2.110 17767 7053 1 11 . 1 1 23 23 LEU CB C 23 41.220 41.220 42.469 -1.249 17767 7054 1 11 . 1 1 23 23 LEU H H 23 6.950 6.950 7.359 -0.409 17767 7055 1 11 . 1 1 24 24 PRO HA H 24 4.475 4.475 4.547 -0.072 17767 7056 1 11 . 1 1 24 24 PRO C C 24 177.500 177.500 177.090 0.410 17767 7057 1 11 . 1 1 24 24 PRO CA C 24 62.940 62.940 62.313 0.627 17767 7058 1 11 . 1 1 24 24 PRO CB C 24 32.600 32.600 32.574 0.026 17767 7059 1 11 . 1 1 25 25 GLU N N 25 122.500 122.500 124.375 -1.875 17767 7060 1 11 . 1 1 25 25 GLU HA H 25 3.860 3.860 3.841 0.019 17767 7061 1 11 . 1 1 25 25 GLU C C 25 177.900 177.900 178.370 -0.470 17767 7062 1 11 . 1 1 25 25 GLU CA C 25 60.100 60.100 60.193 -0.093 17767 7063 1 11 . 1 1 25 25 GLU CB C 25 29.690 29.690 29.350 0.340 17767 7064 1 11 . 1 1 25 25 GLU H H 25 8.840 8.840 9.006 -0.166 17767 7065 1 11 . 1 1 26 26 ASP N N 26 117.110 117.110 117.919 -0.809 17767 7066 1 11 . 1 1 26 26 ASP HA H 26 4.360 4.360 4.399 -0.039 17767 7067 1 11 . 1 1 26 26 ASP C C 26 177.900 177.900 178.230 -0.330 17767 7068 1 11 . 1 1 26 26 ASP CA C 26 57.080 57.080 56.941 0.140 17767 7069 1 11 . 1 1 26 26 ASP CB C 26 40.040 40.040 40.511 -0.471 17767 7070 1 11 . 1 1 26 26 ASP H H 26 8.920 8.920 8.538 0.382 17767 7071 1 11 . 1 1 27 27 LEU N N 27 121.990 121.990 119.689 2.301 17767 7072 1 11 . 1 1 27 27 LEU HA H 27 4.270 4.270 4.203 0.067 17767 7073 1 11 . 1 1 27 27 LEU C C 27 178.070 178.070 178.168 -0.098 17767 7074 1 11 . 1 1 27 27 LEU CA C 27 57.650 57.650 57.436 0.214 17767 7075 1 11 . 1 1 27 27 LEU CB C 27 42.230 42.230 42.380 -0.150 17767 7076 1 11 . 1 1 27 27 LEU H H 27 7.220 7.220 7.445 -0.225 17767 7077 1 11 . 1 1 28 28 ILE N N 28 120.350 120.350 120.162 0.188 17767 7078 1 11 . 1 1 28 28 ILE HA H 28 3.317 3.317 3.507 -0.190 17767 7079 1 11 . 1 1 28 28 ILE C C 28 177.400 177.400 178.127 -0.727 17767 7080 1 11 . 1 1 28 28 ILE CA C 28 67.040 67.040 65.671 1.369 17767 7081 1 11 . 1 1 28 28 ILE CB C 28 37.110 37.110 37.558 -0.448 17767 7082 1 11 . 1 1 28 28 ILE H H 28 7.900 7.900 8.048 -0.148 17767 7083 1 11 . 1 1 29 29 LYS N N 29 117.110 117.110 117.261 -0.151 17767 7084 1 11 . 1 1 29 29 LYS HA H 29 3.947 3.947 4.081 -0.134 17767 7085 1 11 . 1 1 29 29 LYS C C 29 178.900 178.900 178.333 0.567 17767 7086 1 11 . 1 1 29 29 LYS CA C 29 60.000 60.000 58.926 1.074 17767 7087 1 11 . 1 1 29 29 LYS CB C 29 32.390 32.390 32.332 0.058 17767 7088 1 11 . 1 1 29 29 LYS H H 29 7.850 7.850 7.856 -0.006 17767 7089 1 11 . 1 1 30 30 MET N N 30 117.110 117.110 118.011 -0.901 17767 7090 1 11 . 1 1 30 30 MET HA H 30 4.320 4.320 4.448 -0.128 17767 7091 1 11 . 1 1 30 30 MET C C 30 177.500 177.500 177.972 -0.472 17767 7092 1 11 . 1 1 30 30 MET CA C 30 57.650 57.650 57.741 -0.091 17767 7093 1 11 . 1 1 30 30 MET CB C 30 32.970 32.970 33.608 -0.638 17767 7094 1 11 . 1 1 30 30 MET H H 30 7.450 7.450 7.647 -0.197 17767 7095 1 11 . 1 1 31 31 ALA N N 31 120.480 120.480 122.507 -2.027 17767 7096 1 11 . 1 1 31 31 ALA HA H 31 4.270 4.270 4.174 0.096 17767 7097 1 11 . 1 1 31 31 ALA CA C 31 53.545 53.545 54.771 -1.226 17767 7098 1 11 . 1 1 31 31 ALA CB C 31 19.290 19.290 18.257 1.033 17767 7099 1 11 . 1 1 31 31 ALA H H 31 8.420 8.420 8.590 -0.170 17767 7100 1 11 . 1 1 32 32 ARG N N 32 122.170 122.170 117.351 4.819 17767 7101 1 11 . 1 1 32 32 ARG HA H 32 4.109 4.109 3.964 0.145 17767 7102 1 11 . 1 1 32 32 ARG C C 32 176.500 176.500 177.277 -0.777 17767 7103 1 11 . 1 1 32 32 ARG CA C 32 61.170 61.170 59.267 1.903 17767 7104 1 11 . 1 1 32 32 ARG CB C 32 30.600 30.600 30.179 0.421 17767 7105 1 11 . 1 1 32 32 ARG H H 32 7.770 7.770 7.672 0.098 17767 7106 1 11 . 1 1 33 33 ASP N N 33 116.550 116.550 115.236 1.314 17767 7107 1 11 . 1 1 33 33 ASP HA H 33 4.920 4.920 4.641 0.279 17767 7108 1 11 . 1 1 33 33 ASP C C 33 175.900 175.900 175.735 0.165 17767 7109 1 11 . 1 1 33 33 ASP CA C 33 54.130 54.130 53.812 0.318 17767 7110 1 11 . 1 1 33 33 ASP CB C 33 41.760 41.760 41.935 -0.175 17767 7111 1 11 . 1 1 33 33 ASP H H 33 8.330 8.330 7.688 0.642 17767 7112 1 11 . 1 1 34 34 ILE N N 34 120.060 120.060 121.765 -1.705 17767 7113 1 11 . 1 1 34 34 ILE HA H 34 4.120 4.120 4.154 -0.034 17767 7114 1 11 . 1 1 34 34 ILE C C 34 176.100 176.100 175.192 0.908 17767 7115 1 11 . 1 1 34 34 ILE CA C 34 61.170 61.170 61.336 -0.166 17767 7116 1 11 . 1 1 34 34 ILE CB C 34 37.860 37.860 38.792 -0.932 17767 7117 1 11 . 1 1 34 34 ILE H H 34 7.240 7.240 7.572 -0.332 17767 7118 1 11 . 1 1 35 35 LYS N N 35 131.170 131.170 128.131 3.039 17767 7119 1 11 . 1 1 35 35 LYS HA H 35 4.700 4.700 4.868 -0.168 17767 7120 1 11 . 1 1 35 35 LYS C C 35 173.700 173.700 174.435 -0.735 17767 7121 1 11 . 1 1 35 35 LYS CA C 35 52.970 52.970 53.974 -1.004 17767 7122 1 11 . 1 1 35 35 LYS CB C 35 32.750 32.750 32.900 -0.150 17767 7123 1 11 . 1 1 35 35 LYS H H 35 8.980 8.980 8.668 0.312 17767 7124 1 11 . 1 1 36 36 PRO HA H 36 4.510 4.510 4.408 0.102 17767 7125 1 11 . 1 1 36 36 PRO CA C 36 63.523 63.523 62.878 0.645 17767 7126 1 11 . 1 1 36 36 PRO CB C 36 32.840 32.840 32.699 0.141 17767 7127 1 11 . 1 1 37 37 ILE HA H 37 4.920 4.920 4.457 0.463 17767 7128 1 11 . 1 1 37 37 ILE C C 37 175.500 175.500 175.033 0.467 17767 7129 1 11 . 1 1 37 37 ILE CA C 37 60.588 60.588 59.452 1.136 17767 7130 1 11 . 1 1 37 37 ILE CB C 37 40.630 40.630 40.305 0.325 17767 7131 1 11 . 1 1 38 38 VAL N N 38 129.000 129.000 128.983 0.017 17767 7132 1 11 . 1 1 38 38 VAL HA H 38 5.120 5.120 4.356 0.764 17767 7133 1 11 . 1 1 38 38 VAL C C 38 175.100 175.100 175.041 0.059 17767 7134 1 11 . 1 1 38 38 VAL CA C 38 61.176 61.176 61.124 0.052 17767 7135 1 11 . 1 1 38 38 VAL CB C 38 34.850 34.850 31.494 3.356 17767 7136 1 11 . 1 1 38 38 VAL H H 38 9.540 9.540 9.272 0.268 17767 7137 1 11 . 1 1 39 39 GLU N N 39 128.350 128.350 128.868 -0.518 17767 7138 1 11 . 1 1 39 39 GLU HA H 39 5.440 5.440 4.658 0.782 17767 7139 1 11 . 1 1 39 39 GLU C C 39 176.000 176.000 174.921 1.079 17767 7140 1 11 . 1 1 39 39 GLU CA C 39 54.720 54.720 56.523 -1.804 17767 7141 1 11 . 1 1 39 39 GLU CB C 39 32.410 32.410 31.770 0.640 17767 7142 1 11 . 1 1 39 39 GLU H H 39 9.590 9.590 8.299 1.291 17767 7143 1 11 . 1 1 40 40 ILE N N 40 126.110 126.110 125.721 0.389 17767 7144 1 11 . 1 1 40 40 ILE HA H 40 5.050 5.050 5.059 -0.009 17767 7145 1 11 . 1 1 40 40 ILE C C 40 175.800 175.800 172.972 2.828 17767 7146 1 11 . 1 1 40 40 ILE CA C 40 61.330 61.330 59.546 1.784 17767 7147 1 11 . 1 1 40 40 ILE CB C 40 40.160 40.160 41.987 -1.827 17767 7148 1 11 . 1 1 40 40 ILE H H 40 9.630 9.630 8.645 0.986 17767 7149 1 11 . 1 1 41 41 GLN N N 41 128.360 128.360 126.870 1.490 17767 7150 1 11 . 1 1 41 41 GLN HA H 41 4.720 4.720 4.795 -0.075 17767 7151 1 11 . 1 1 41 41 GLN C C 41 173.900 173.900 173.577 0.323 17767 7152 1 11 . 1 1 41 41 GLN CA C 41 54.940 54.940 53.854 1.086 17767 7153 1 11 . 1 1 41 41 GLN CB C 41 31.820 31.820 31.472 0.348 17767 7154 1 11 . 1 1 41 41 GLN H H 41 9.270 9.270 8.818 0.452 17767 7155 1 11 . 1 1 42 42 GLN N N 42 126.110 126.110 123.498 2.612 17767 7156 1 11 . 1 1 42 42 GLN HA H 42 4.380 4.380 4.594 -0.214 17767 7157 1 11 . 1 1 42 42 GLN C C 42 174.700 174.700 175.435 -0.735 17767 7158 1 11 . 1 1 42 42 GLN CA C 42 54.150 54.150 53.956 0.195 17767 7159 1 11 . 1 1 42 42 GLN CB C 42 30.000 30.000 30.847 -0.847 17767 7160 1 11 . 1 1 42 42 GLN H H 42 8.250 8.250 8.322 -0.072 17767 7161 1 11 . 1 1 43 43 LYS N N 43 130.610 130.610 120.283 10.327 17767 7162 1 11 . 1 1 43 43 LYS HA H 43 4.460 4.460 4.395 0.065 17767 7163 1 11 . 1 1 43 43 LYS C C 43 176.030 176.030 175.891 0.139 17767 7164 1 11 . 1 1 43 43 LYS CA C 43 55.306 55.306 56.091 -0.785 17767 7165 1 11 . 1 1 43 43 LYS CB C 43 33.270 33.270 33.478 -0.208 17767 7166 1 11 . 1 1 43 43 LYS H H 43 8.820 8.820 8.352 0.468 17767 7167 1 11 . 1 1 44 44 GLY N N 44 117.110 117.110 112.146 4.964 17767 7168 1 11 . 1 1 44 44 GLY C C 44 174.300 174.300 174.136 0.164 17767 7169 1 11 . 1 1 44 44 GLY CA C 44 47.480 47.480 46.076 1.404 17767 7170 1 11 . 1 1 44 44 GLY H H 44 8.940 8.940 8.649 0.291 17767 7171 1 11 . 1 1 45 45 ASP N N 45 127.799 127.799 123.853 3.946 17767 7172 1 11 . 1 1 45 45 ASP HA H 45 4.870 4.870 4.974 -0.104 17767 7173 1 11 . 1 1 45 45 ASP C C 45 174.700 174.700 174.783 -0.083 17767 7174 1 11 . 1 1 45 45 ASP CA C 45 54.719 54.719 54.686 0.033 17767 7175 1 11 . 1 1 45 45 ASP CB C 45 41.270 41.270 43.517 -2.247 17767 7176 1 11 . 1 1 45 45 ASP H H 45 8.870 8.870 8.344 0.526 17767 7177 1 11 . 1 1 46 46 ASP N N 46 120.480 120.480 122.024 -1.544 17767 7178 1 11 . 1 1 46 46 ASP HA H 46 5.230 5.230 5.256 -0.026 17767 7179 1 11 . 1 1 46 46 ASP C C 46 175.070 175.070 175.018 0.052 17767 7180 1 11 . 1 1 46 46 ASP CA C 46 54.132 54.132 54.941 -0.809 17767 7181 1 11 . 1 1 46 46 ASP CB C 46 41.570 41.570 41.636 -0.066 17767 7182 1 11 . 1 1 46 46 ASP H H 46 8.060 8.060 7.909 0.151 17767 7183 1 11 . 1 1 47 47 PHE N N 47 122.730 122.730 123.393 -0.663 17767 7184 1 11 . 1 1 47 47 PHE HA H 47 5.090 5.090 4.785 0.305 17767 7185 1 11 . 1 1 47 47 PHE C C 47 176.400 176.400 174.845 1.555 17767 7186 1 11 . 1 1 47 47 PHE CA C 47 56.420 56.420 55.014 1.406 17767 7187 1 11 . 1 1 47 47 PHE CB C 47 44.150 44.150 42.292 1.858 17767 7188 1 11 . 1 1 47 47 PHE H H 47 9.296 9.296 9.181 0.115 17767 7189 1 11 . 1 1 48 48 VAL N N 48 121.690 121.690 121.212 0.478 17767 7190 1 11 . 1 1 48 48 VAL HA H 48 4.500 4.500 4.495 0.005 17767 7191 1 11 . 1 1 48 48 VAL C C 48 175.700 175.700 174.758 0.942 17767 7192 1 11 . 1 1 48 48 VAL CA C 48 62.930 62.930 61.753 1.177 17767 7193 1 11 . 1 1 48 48 VAL CB C 48 34.670 34.670 33.292 1.378 17767 7194 1 11 . 1 1 48 48 VAL H H 48 8.520 8.520 8.790 -0.270 17767 7195 1 11 . 1 1 49 49 VAL N N 49 127.200 127.200 129.089 -1.889 17767 7196 1 11 . 1 1 49 49 VAL HA H 49 5.250 5.250 4.882 0.368 17767 7197 1 11 . 1 1 49 49 VAL C C 49 175.700 175.700 175.355 0.345 17767 7198 1 11 . 1 1 49 49 VAL CA C 49 61.180 61.180 60.857 0.323 17767 7199 1 11 . 1 1 49 49 VAL CB C 49 34.660 34.660 33.539 1.121 17767 7200 1 11 . 1 1 49 49 VAL H H 49 9.330 9.330 9.339 -0.009 17767 7201 1 11 . 1 1 50 50 THR N N 50 128.500 128.500 125.630 2.870 17767 7202 1 11 . 1 1 50 50 THR HA H 50 5.430 5.430 4.931 0.499 17767 7203 1 11 . 1 1 50 50 THR C C 50 173.810 173.810 173.615 0.195 17767 7204 1 11 . 1 1 50 50 THR CA C 50 61.530 61.530 61.766 -0.236 17767 7205 1 11 . 1 1 50 50 THR CB C 50 70.760 70.760 69.841 0.919 17767 7206 1 11 . 1 1 50 50 THR H H 50 9.730 9.730 9.283 0.447 17767 7207 1 11 . 1 1 51 51 SER N N 51 122.730 122.730 124.019 -1.289 17767 7208 1 11 . 1 1 51 51 SER HA H 51 5.430 5.430 4.838 0.592 17767 7209 1 11 . 1 1 51 51 SER C C 51 173.800 173.800 173.511 0.289 17767 7210 1 11 . 1 1 51 51 SER CA C 51 57.060 57.060 57.076 -0.016 17767 7211 1 11 . 1 1 51 51 SER CB C 51 64.550 64.550 63.347 1.202 17767 7212 1 11 . 1 1 51 51 SER H H 51 9.190 9.190 8.710 0.480 17767 7213 1 11 . 1 1 52 52 LYS N N 52 125.550 125.550 127.709 -2.159 17767 7214 1 11 . 1 1 52 52 LYS HA H 52 5.310 5.310 4.455 0.855 17767 7215 1 11 . 1 1 52 52 LYS C C 52 175.900 175.900 175.117 0.783 17767 7216 1 11 . 1 1 52 52 LYS CA C 52 56.120 56.120 55.747 0.373 17767 7217 1 11 . 1 1 52 52 LYS CB C 52 36.130 36.130 33.962 2.168 17767 7218 1 11 . 1 1 52 52 LYS H H 52 9.490 9.490 8.462 1.028 17767 7219 1 11 . 1 1 53 53 THR N N 53 115.980 115.980 116.223 -0.243 17767 7220 1 11 . 1 1 53 53 THR HA H 53 5.024 5.024 4.913 0.111 17767 7221 1 11 . 1 1 53 53 THR C C 53 173.400 173.400 174.432 -1.032 17767 7222 1 11 . 1 1 53 53 THR CA C 53 59.140 59.140 58.569 0.571 17767 7223 1 11 . 1 1 53 53 THR CB C 53 69.300 69.300 70.320 -1.020 17767 7224 1 11 . 1 1 53 53 THR H H 53 8.760 8.760 7.748 1.012 17767 7225 1 11 . 1 1 54 54 PRO HA H 54 4.350 4.350 4.490 -0.140 17767 7226 1 11 . 1 1 54 54 PRO C C 54 177.200 177.200 176.822 0.378 17767 7227 1 11 . 1 1 54 54 PRO CA C 54 66.458 66.458 64.520 1.938 17767 7228 1 11 . 1 1 54 54 PRO CB C 54 32.400 32.400 31.644 0.756 17767 7229 1 11 . 1 1 55 55 ARG N N 55 111.480 111.480 114.611 -3.131 17767 7230 1 11 . 1 1 55 55 ARG HA H 55 4.510 4.510 4.529 -0.019 17767 7231 1 11 . 1 1 55 55 ARG C C 55 175.800 175.800 175.740 0.060 17767 7232 1 11 . 1 1 55 55 ARG CA C 55 55.893 55.893 56.122 -0.229 17767 7233 1 11 . 1 1 55 55 ARG CB C 55 32.520 32.520 31.441 1.079 17767 7234 1 11 . 1 1 55 55 ARG H H 55 8.010 8.010 7.665 0.345 17767 7235 1 11 . 1 1 56 56 GLN N N 56 118.230 118.230 119.406 -1.176 17767 7236 1 11 . 1 1 56 56 GLN HA H 56 4.830 4.830 4.490 0.340 17767 7237 1 11 . 1 1 56 56 GLN C C 56 174.200 174.200 173.764 0.436 17767 7238 1 11 . 1 1 56 56 GLN CA C 56 55.610 55.610 56.357 -0.747 17767 7239 1 11 . 1 1 56 56 GLN CB C 56 32.880 32.880 31.129 1.751 17767 7240 1 11 . 1 1 56 56 GLN H H 56 7.530 7.530 7.858 -0.328 17767 7241 1 11 . 1 1 57 57 THR N N 57 120.480 120.480 123.527 -3.047 17767 7242 1 11 . 1 1 57 57 THR HA H 57 5.330 5.330 5.050 0.280 17767 7243 1 11 . 1 1 57 57 THR C C 57 174.000 174.000 174.213 -0.213 17767 7244 1 11 . 1 1 57 57 THR CA C 57 61.760 61.760 61.641 0.119 17767 7245 1 11 . 1 1 57 57 THR CB C 57 71.500 71.500 69.341 2.159 17767 7246 1 11 . 1 1 57 57 THR H H 57 8.610 8.610 8.517 0.093 17767 7247 1 11 . 1 1 58 58 VAL N N 58 125.200 125.200 124.637 0.563 17767 7248 1 11 . 1 1 58 58 VAL HA H 58 4.540 4.540 4.634 -0.094 17767 7249 1 11 . 1 1 58 58 VAL C C 58 174.400 174.400 174.342 0.058 17767 7250 1 11 . 1 1 58 58 VAL CA C 58 61.170 61.170 59.186 1.984 17767 7251 1 11 . 1 1 58 58 VAL CB C 58 35.560 35.560 34.447 1.113 17767 7252 1 11 . 1 1 58 58 VAL H H 58 8.830 8.830 8.705 0.125 17767 7253 1 11 . 1 1 59 59 THR N N 59 125.500 125.500 119.306 6.194 17767 7254 1 11 . 1 1 59 59 THR HA H 59 5.260 5.260 4.906 0.354 17767 7255 1 11 . 1 1 59 59 THR C C 59 173.400 173.400 173.702 -0.302 17767 7256 1 11 . 1 1 59 59 THR CA C 59 61.980 61.980 61.299 0.681 17767 7257 1 11 . 1 1 59 59 THR CB C 59 71.150 71.150 70.644 0.506 17767 7258 1 11 . 1 1 59 59 THR H H 59 8.870 8.870 8.347 0.523 17767 7259 1 11 . 1 1 60 60 ASN N N 60 124.700 124.700 125.832 -1.132 17767 7260 1 11 . 1 1 60 60 ASN HA H 60 5.270 5.270 5.100 0.170 17767 7261 1 11 . 1 1 60 60 ASN C C 60 173.300 173.300 173.656 -0.356 17767 7262 1 11 . 1 1 60 60 ASN CA C 60 53.000 53.000 52.847 0.153 17767 7263 1 11 . 1 1 60 60 ASN CB C 60 44.700 44.700 42.205 2.495 17767 7264 1 11 . 1 1 60 60 ASN H H 60 9.180 9.180 9.180 0.000 17767 7265 1 11 . 1 1 61 61 SER N N 61 115.980 115.980 117.430 -1.450 17767 7266 1 11 . 1 1 61 61 SER HA H 61 5.430 5.430 5.497 -0.067 17767 7267 1 11 . 1 1 61 61 SER C C 61 173.300 173.300 173.260 0.040 17767 7268 1 11 . 1 1 61 61 SER CA C 61 57.060 57.060 56.488 0.572 17767 7269 1 11 . 1 1 61 61 SER CB C 61 65.590 65.590 66.441 -0.851 17767 7270 1 11 . 1 1 61 61 SER H H 61 8.840 8.840 8.677 0.163 17767 7271 1 11 . 1 1 62 62 PHE N N 62 117.670 117.670 117.624 0.046 17767 7272 1 11 . 1 1 62 62 PHE HA H 62 5.020 5.020 4.855 0.165 17767 7273 1 11 . 1 1 62 62 PHE C C 62 173.100 173.100 173.448 -0.348 17767 7274 1 11 . 1 1 62 62 PHE CA C 62 56.590 56.590 56.769 -0.179 17767 7275 1 11 . 1 1 62 62 PHE CB C 62 40.030 40.030 40.842 -0.812 17767 7276 1 11 . 1 1 62 62 PHE H H 62 8.235 8.235 8.764 -0.529 17767 7277 1 11 . 1 1 63 63 THR N N 63 119.920 119.920 117.596 2.324 17767 7278 1 11 . 1 1 63 63 THR HA H 63 5.500 5.500 4.902 0.598 17767 7279 1 11 . 1 1 63 63 THR C C 63 175.600 175.600 174.868 0.732 17767 7280 1 11 . 1 1 63 63 THR CA C 63 61.170 61.170 61.825 -0.655 17767 7281 1 11 . 1 1 63 63 THR CB C 63 72.320 72.320 69.660 2.660 17767 7282 1 11 . 1 1 63 63 THR H H 63 9.650 9.650 8.680 0.970 17767 7283 1 11 . 1 1 64 64 LEU N N 64 126.300 126.300 127.765 -1.465 17767 7284 1 11 . 1 1 64 64 LEU HA H 64 4.430 4.430 3.856 0.574 17767 7285 1 11 . 1 1 64 64 LEU C C 64 178.000 178.000 178.545 -0.545 17767 7286 1 11 . 1 1 64 64 LEU CA C 64 56.100 56.100 56.446 -0.346 17767 7287 1 11 . 1 1 64 64 LEU CB C 64 41.330 41.330 40.687 0.643 17767 7288 1 11 . 1 1 64 64 LEU H H 64 9.280 9.280 8.956 0.324 17767 7289 1 11 . 1 1 65 65 GLY N N 65 107.520 107.520 112.219 -4.699 17767 7290 1 11 . 1 1 65 65 GLY C C 65 173.800 173.800 174.035 -0.235 17767 7291 1 11 . 1 1 65 65 GLY CA C 65 45.780 45.780 44.910 0.870 17767 7292 1 11 . 1 1 65 65 GLY H H 65 9.110 9.110 9.173 -0.063 17767 7293 1 11 . 1 1 66 66 LYS N N 66 121.600 121.600 119.971 1.629 17767 7294 1 11 . 1 1 66 66 LYS HA H 66 4.780 4.780 4.582 0.198 17767 7295 1 11 . 1 1 66 66 LYS C C 66 175.600 175.600 174.451 1.149 17767 7296 1 11 . 1 1 66 66 LYS CA C 66 54.100 54.100 54.215 -0.115 17767 7297 1 11 . 1 1 66 66 LYS CB C 66 34.620 34.620 35.627 -1.007 17767 7298 1 11 . 1 1 66 66 LYS H H 66 7.910 7.910 7.990 -0.080 17767 7299 1 11 . 1 1 67 67 GLU N N 67 129.400 129.400 120.888 8.512 17767 7300 1 11 . 1 1 67 67 GLU HA H 67 4.070 4.070 4.278 -0.208 17767 7301 1 11 . 1 1 67 67 GLU C C 67 175.030 175.030 175.762 -0.732 17767 7302 1 11 . 1 1 67 67 GLU CA C 67 59.220 59.220 55.692 3.528 17767 7303 1 11 . 1 1 67 67 GLU CB C 67 30.400 30.400 30.733 -0.333 17767 7304 1 11 . 1 1 67 67 GLU H H 67 8.940 8.940 8.512 0.428 17767 7305 1 11 . 1 1 68 68 ALA N N 68 130.940 130.940 129.968 0.972 17767 7306 1 11 . 1 1 68 68 ALA HA H 68 4.900 4.900 4.743 0.157 17767 7307 1 11 . 1 1 68 68 ALA C C 68 176.000 176.000 175.232 0.768 17767 7308 1 11 . 1 1 68 68 ALA CA C 68 51.000 51.000 50.907 0.093 17767 7309 1 11 . 1 1 68 68 ALA CB C 68 22.440 22.440 22.357 0.083 17767 7310 1 11 . 1 1 68 68 ALA H H 68 8.660 8.660 8.137 0.523 17767 7311 1 11 . 1 1 69 69 ASP N N 69 120.500 120.500 122.319 -1.819 17767 7312 1 11 . 1 1 69 69 ASP HA H 69 5.000 5.000 4.702 0.298 17767 7313 1 11 . 1 1 69 69 ASP C C 69 174.400 174.400 176.237 -1.837 17767 7314 1 11 . 1 1 69 69 ASP CA C 69 54.670 54.670 54.313 0.357 17767 7315 1 11 . 1 1 69 69 ASP CB C 69 41.930 41.930 41.315 0.615 17767 7316 1 11 . 1 1 69 69 ASP H H 69 8.330 8.330 8.583 -0.253 17767 7317 1 11 . 1 1 70 70 ILE N N 70 125.540 125.540 121.356 4.184 17767 7318 1 11 . 1 1 70 70 ILE HA H 70 4.510 4.510 4.714 -0.204 17767 7319 1 11 . 1 1 70 70 ILE C C 70 175.300 175.300 174.702 0.598 17767 7320 1 11 . 1 1 70 70 ILE CA C 70 57.690 57.690 59.303 -1.613 17767 7321 1 11 . 1 1 70 70 ILE CB C 70 40.040 40.040 41.570 -1.530 17767 7322 1 11 . 1 1 70 70 ILE H H 70 8.850 8.850 8.632 0.218 17767 7323 1 11 . 1 1 71 71 THR N N 71 123.860 123.860 117.738 6.122 17767 7324 1 11 . 1 1 71 71 THR HA H 71 5.240 5.240 4.987 0.253 17767 7325 1 11 . 1 1 71 71 THR C C 71 174.600 174.600 174.405 0.195 17767 7326 1 11 . 1 1 71 71 THR CA C 71 61.610 61.610 61.417 0.193 17767 7327 1 11 . 1 1 71 71 THR CB C 71 70.370 70.370 71.154 -0.784 17767 7328 1 11 . 1 1 71 71 THR H H 71 9.460 9.460 8.572 0.888 17767 7329 1 11 . 1 1 72 72 THR N N 72 115.980 115.980 118.123 -2.143 17767 7330 1 11 . 1 1 72 72 THR HA H 72 4.550 4.550 4.660 -0.111 17767 7331 1 11 . 1 1 72 72 THR C C 72 177.300 177.300 176.564 0.736 17767 7332 1 11 . 1 1 72 72 THR CA C 72 60.550 60.550 59.530 1.020 17767 7333 1 11 . 1 1 72 72 THR CB C 72 70.710 70.710 70.565 0.145 17767 7334 1 11 . 1 1 72 72 THR H H 72 8.700 8.700 8.153 0.547 17767 7335 1 11 . 1 1 73 73 MET N N 73 119.830 119.830 120.545 -0.715 17767 7336 1 11 . 1 1 73 73 MET HA H 73 4.110 4.110 4.499 -0.389 17767 7337 1 11 . 1 1 73 73 MET C C 73 176.200 176.200 175.662 0.538 17767 7338 1 11 . 1 1 73 73 MET CA C 73 58.900 58.900 56.791 2.108 17767 7339 1 11 . 1 1 73 73 MET CB C 73 34.760 34.760 31.601 3.159 17767 7340 1 11 . 1 1 73 73 MET H H 73 10.360 10.360 8.662 1.698 17767 7341 1 11 . 1 1 74 74 ASP N N 74 112.220 112.220 117.950 -5.730 17767 7342 1 11 . 1 1 74 74 ASP HA H 74 4.800 4.800 4.511 0.289 17767 7343 1 11 . 1 1 74 74 ASP C C 74 175.600 175.600 177.402 -1.802 17767 7344 1 11 . 1 1 74 74 ASP CA C 74 52.630 52.630 54.352 -1.722 17767 7345 1 11 . 1 1 74 74 ASP CB C 74 38.870 38.870 42.160 -3.290 17767 7346 1 11 . 1 1 74 74 ASP H H 74 8.680 8.680 7.538 1.142 17767 7347 1 11 . 1 1 75 75 GLY N N 75 108.040 108.040 109.241 -1.201 17767 7348 1 11 . 1 1 75 75 GLY C C 75 175.000 175.000 173.518 1.482 17767 7349 1 11 . 1 1 75 75 GLY CA C 75 46.400 46.400 45.322 1.079 17767 7350 1 11 . 1 1 75 75 GLY H H 75 7.600 7.600 7.594 0.006 17767 7351 1 11 . 1 1 76 76 LYS N N 76 120.500 120.500 120.064 0.436 17767 7352 1 11 . 1 1 76 76 LYS HA H 76 4.440 4.440 4.505 -0.065 17767 7353 1 11 . 1 1 76 76 LYS C C 76 175.400 175.400 175.474 -0.074 17767 7354 1 11 . 1 1 76 76 LYS CA C 76 55.240 55.240 54.991 0.249 17767 7355 1 11 . 1 1 76 76 LYS CB C 76 33.500 33.500 35.651 -2.151 17767 7356 1 11 . 1 1 76 76 LYS H H 76 8.260 8.260 7.748 0.512 17767 7357 1 11 . 1 1 77 77 LYS N N 77 119.300 119.300 123.451 -4.151 17767 7358 1 11 . 1 1 77 77 LYS HA H 77 5.370 5.370 4.631 0.739 17767 7359 1 11 . 1 1 77 77 LYS C C 77 176.100 176.100 176.054 0.046 17767 7360 1 11 . 1 1 77 77 LYS CA C 77 54.360 54.360 55.134 -0.774 17767 7361 1 11 . 1 1 77 77 LYS CB C 77 32.840 32.840 31.637 1.204 17767 7362 1 11 . 1 1 77 77 LYS H H 77 8.130 8.130 8.411 -0.281 17767 7363 1 11 . 1 1 78 78 LEU N N 78 123.860 123.860 125.795 -1.935 17767 7364 1 11 . 1 1 78 78 LEU HA H 78 4.910 4.910 4.787 0.123 17767 7365 1 11 . 1 1 78 78 LEU C C 78 175.600 175.600 175.605 -0.005 17767 7366 1 11 . 1 1 78 78 LEU CA C 78 53.170 53.170 53.972 -0.802 17767 7367 1 11 . 1 1 78 78 LEU CB C 78 45.780 45.780 45.300 0.480 17767 7368 1 11 . 1 1 78 78 LEU H H 78 9.028 9.028 8.044 0.984 17767 7369 1 11 . 1 1 79 79 LYS N N 79 119.280 119.280 120.930 -1.650 17767 7370 1 11 . 1 1 79 79 LYS HA H 79 5.615 5.615 4.956 0.659 17767 7371 1 11 . 1 1 79 79 LYS C C 79 176.600 176.600 175.260 1.340 17767 7372 1 11 . 1 1 79 79 LYS CA C 79 55.000 55.000 55.327 -0.327 17767 7373 1 11 . 1 1 79 79 LYS CB C 79 36.850 36.850 33.870 2.980 17767 7374 1 11 . 1 1 79 79 LYS H H 79 8.240 8.240 8.350 -0.110 17767 7375 1 11 . 1 1 80 80 CYS N N 80 115.980 115.980 124.373 -8.393 17767 7376 1 11 . 1 1 80 80 CYS HA H 80 4.700 4.700 4.748 -0.048 17767 7377 1 11 . 1 1 80 80 CYS C C 80 173.500 173.500 174.157 -0.657 17767 7378 1 11 . 1 1 80 80 CYS CA C 80 56.500 56.500 57.924 -1.424 17767 7379 1 11 . 1 1 80 80 CYS CB C 80 45.700 45.700 29.353 16.347 17767 7380 1 11 . 1 1 80 80 CYS H H 80 8.306 8.306 8.550 -0.244 17767 7381 1 11 . 1 1 81 81 THR N N 81 122.000 122.000 126.621 -4.621 17767 7382 1 11 . 1 1 81 81 THR HA H 81 4.303 4.303 4.368 -0.065 17767 7383 1 11 . 1 1 81 81 THR C C 81 173.100 173.100 173.626 -0.526 17767 7384 1 11 . 1 1 81 81 THR CA C 81 62.460 62.460 61.718 0.743 17767 7385 1 11 . 1 1 81 81 THR CB C 81 68.200 68.200 68.211 -0.011 17767 7386 1 11 . 1 1 81 81 THR H H 81 8.840 8.840 8.800 0.040 17767 7387 1 11 . 1 1 82 82 VAL N N 82 132.160 132.160 125.353 6.807 17767 7388 1 11 . 1 1 82 82 VAL HA H 82 4.449 4.449 4.782 -0.333 17767 7389 1 11 . 1 1 82 82 VAL C C 82 175.100 175.100 175.639 -0.539 17767 7390 1 11 . 1 1 82 82 VAL CA C 82 61.760 61.760 60.431 1.329 17767 7391 1 11 . 1 1 82 82 VAL CB C 82 31.200 31.200 31.517 -0.317 17767 7392 1 11 . 1 1 82 82 VAL H H 82 9.520 9.520 7.733 1.787 17767 7393 1 11 . 1 1 83 83 HIS N N 83 123.860 123.860 120.885 2.975 17767 7394 1 11 . 1 1 83 83 HIS HA H 83 5.009 5.009 4.881 0.128 17767 7395 1 11 . 1 1 83 83 HIS C C 83 173.500 173.500 172.996 0.504 17767 7396 1 11 . 1 1 83 83 HIS CA C 83 55.300 55.300 54.299 1.001 17767 7397 1 11 . 1 1 83 83 HIS CB C 83 33.400 33.400 32.611 0.790 17767 7398 1 11 . 1 1 83 83 HIS H H 83 8.740 8.740 8.051 0.689 17767 7399 1 11 . 1 1 84 84 LEU N N 84 121.600 121.600 124.409 -2.809 17767 7400 1 11 . 1 1 84 84 LEU HA H 84 5.420 5.420 5.003 0.417 17767 7401 1 11 . 1 1 84 84 LEU C C 84 176.500 176.500 175.316 1.184 17767 7402 1 11 . 1 1 84 84 LEU CA C 84 53.790 53.790 54.400 -0.610 17767 7403 1 11 . 1 1 84 84 LEU CB C 84 44.740 44.740 43.230 1.510 17767 7404 1 11 . 1 1 84 84 LEU H H 84 8.850 8.850 8.466 0.384 17767 7405 1 11 . 1 1 85 85 ALA N N 85 128.800 128.800 130.226 -1.426 17767 7406 1 11 . 1 1 85 85 ALA HA H 85 4.750 4.750 4.737 0.013 17767 7407 1 11 . 1 1 85 85 ALA C C 85 177.000 177.000 176.758 0.242 17767 7408 1 11 . 1 1 85 85 ALA CA C 85 51.480 51.480 51.662 -0.182 17767 7409 1 11 . 1 1 85 85 ALA CB C 85 20.910 20.910 21.076 -0.166 17767 7410 1 11 . 1 1 85 85 ALA H H 85 9.230 9.230 8.980 0.250 17767 7411 1 11 . 1 1 86 86 ASN HA H 86 4.430 4.430 4.351 0.079 17767 7412 1 11 . 1 1 86 86 ASN C C 86 175.400 175.400 175.334 0.066 17767 7413 1 11 . 1 1 86 86 ASN CA C 86 54.140 54.140 53.965 0.175 17767 7414 1 11 . 1 1 86 86 ASN CB C 86 37.550 37.550 37.161 0.389 17767 7415 1 11 . 1 1 87 87 GLY N N 87 103.430 103.430 101.190 2.240 17767 7416 1 11 . 1 1 87 87 GLY C C 87 173.800 173.800 173.927 -0.127 17767 7417 1 11 . 1 1 87 87 GLY CA C 87 45.670 45.670 45.315 0.355 17767 7418 1 11 . 1 1 87 87 GLY H H 87 8.620 8.620 8.473 0.147 17767 7419 1 11 . 1 1 88 88 LYS N N 88 120.490 120.490 119.371 1.119 17767 7420 1 11 . 1 1 88 88 LYS HA H 88 5.120 5.120 4.977 0.143 17767 7421 1 11 . 1 1 88 88 LYS C C 88 175.500 175.500 174.417 1.083 17767 7422 1 11 . 1 1 88 88 LYS CA C 88 55.140 55.140 54.718 0.422 17767 7423 1 11 . 1 1 88 88 LYS CB C 88 34.610 34.610 35.001 -0.391 17767 7424 1 11 . 1 1 88 88 LYS H H 88 7.880 7.880 7.617 0.263 17767 7425 1 11 . 1 1 89 89 LEU N N 89 124.420 124.420 123.380 1.040 17767 7426 1 11 . 1 1 89 89 LEU HA H 89 4.730 4.730 4.566 0.164 17767 7427 1 11 . 1 1 89 89 LEU C C 89 176.700 176.700 175.131 1.569 17767 7428 1 11 . 1 1 89 89 LEU CA C 89 54.500 54.500 53.820 0.680 17767 7429 1 11 . 1 1 89 89 LEU CB C 89 44.150 44.150 43.273 0.877 17767 7430 1 11 . 1 1 89 89 LEU H H 89 8.780 8.780 8.365 0.415 17767 7431 1 11 . 1 1 90 90 VAL N N 90 122.500 122.500 122.839 -0.339 17767 7432 1 11 . 1 1 90 90 VAL HA H 90 5.420 5.420 4.151 1.269 17767 7433 1 11 . 1 1 90 90 VAL C C 90 175.200 175.200 173.981 1.219 17767 7434 1 11 . 1 1 90 90 VAL CA C 90 60.350 60.350 61.138 -0.788 17767 7435 1 11 . 1 1 90 90 VAL CB C 90 35.930 35.930 32.873 3.058 17767 7436 1 11 . 1 1 90 90 VAL H H 90 9.050 9.050 8.617 0.433 17767 7437 1 11 . 1 1 91 91 CYS N N 91 123.100 123.100 128.216 -5.116 17767 7438 1 11 . 1 1 91 91 CYS HA H 91 5.370 5.370 4.769 0.601 17767 7439 1 11 . 1 1 91 91 CYS C C 91 172.700 172.700 173.353 -0.653 17767 7440 1 11 . 1 1 91 91 CYS CA C 91 55.230 55.230 57.727 -2.497 17767 7441 1 11 . 1 1 91 91 CYS CB C 91 42.970 42.970 27.106 15.864 17767 7442 1 11 . 1 1 91 91 CYS H H 91 8.820 8.820 8.506 0.314 17767 7443 1 11 . 1 1 92 92 LYS N N 92 128.900 128.900 126.199 2.701 17767 7444 1 11 . 1 1 92 92 LYS HA H 92 5.000 5.000 4.573 0.427 17767 7445 1 11 . 1 1 92 92 LYS C C 92 174.270 174.270 175.441 -1.171 17767 7446 1 11 . 1 1 92 92 LYS CA C 92 55.360 55.360 55.204 0.156 17767 7447 1 11 . 1 1 92 92 LYS CB C 92 35.960 35.960 34.855 1.105 17767 7448 1 11 . 1 1 92 92 LYS H H 92 9.450 9.450 8.325 1.125 17767 7449 1 11 . 1 1 93 93 SER N N 93 119.300 119.300 120.397 -1.097 17767 7450 1 11 . 1 1 93 93 SER HA H 93 4.710 4.710 4.801 -0.091 17767 7451 1 11 . 1 1 93 93 SER C C 93 174.200 174.200 175.105 -0.905 17767 7452 1 11 . 1 1 93 93 SER CA C 93 55.430 55.430 56.913 -1.483 17767 7453 1 11 . 1 1 93 93 SER CB C 93 66.460 66.460 65.072 1.388 17767 7454 1 11 . 1 1 93 93 SER H H 93 8.620 8.620 8.665 -0.045 17767 7455 1 11 . 1 1 94 94 GLU N N 94 119.900 119.900 121.142 -1.242 17767 7456 1 11 . 1 1 94 94 GLU HA H 94 4.090 4.090 4.336 -0.246 17767 7457 1 11 . 1 1 94 94 GLU C C 94 177.600 177.600 176.642 0.958 17767 7458 1 11 . 1 1 94 94 GLU CA C 94 59.440 59.440 58.876 0.564 17767 7459 1 11 . 1 1 94 94 GLU CB C 94 29.360 29.360 29.774 -0.414 17767 7460 1 11 . 1 1 94 94 GLU H H 94 8.670 8.670 8.522 0.148 17767 7461 1 11 . 1 1 95 95 LYS N N 95 113.500 113.500 117.817 -4.317 17767 7462 1 11 . 1 1 95 95 LYS HA H 95 4.430 4.430 4.104 0.326 17767 7463 1 11 . 1 1 95 95 LYS C C 95 175.980 175.980 174.805 1.175 17767 7464 1 11 . 1 1 95 95 LYS CA C 95 56.180 56.180 55.981 0.199 17767 7465 1 11 . 1 1 95 95 LYS CB C 95 35.220 35.220 32.762 2.458 17767 7466 1 11 . 1 1 95 95 LYS H H 95 8.300 8.300 7.874 0.426 17767 7467 1 11 . 1 1 96 96 PHE N N 96 113.270 113.270 115.363 -2.093 17767 7468 1 11 . 1 1 96 96 PHE HA H 96 5.860 5.860 4.523 1.337 17767 7469 1 11 . 1 1 96 96 PHE C C 96 173.900 173.900 173.971 -0.071 17767 7470 1 11 . 1 1 96 96 PHE CA C 96 55.890 55.890 56.002 -0.112 17767 7471 1 11 . 1 1 96 96 PHE CB C 96 43.560 43.560 42.186 1.374 17767 7472 1 11 . 1 1 96 96 PHE H H 96 7.000 7.000 7.450 -0.450 17767 7473 1 11 . 1 1 97 97 SER N N 97 112.050 112.050 113.429 -1.379 17767 7474 1 11 . 1 1 97 97 SER HA H 97 5.220 5.220 4.709 0.511 17767 7475 1 11 . 1 1 97 97 SER C C 97 172.560 172.560 172.745 -0.185 17767 7476 1 11 . 1 1 97 97 SER CA C 97 57.870 57.870 58.225 -0.355 17767 7477 1 11 . 1 1 97 97 SER CB C 97 65.990 65.990 65.416 0.574 17767 7478 1 11 . 1 1 97 97 SER H H 97 8.790 8.790 8.596 0.194 17767 7479 1 11 . 1 1 98 98 HIS N N 98 126.300 126.300 123.521 2.779 17767 7480 1 11 . 1 1 98 98 HIS HA H 98 5.190 5.190 5.120 0.070 17767 7481 1 11 . 1 1 98 98 HIS C C 98 174.500 174.500 173.317 1.183 17767 7482 1 11 . 1 1 98 98 HIS CA C 98 56.260 56.260 54.730 1.530 17767 7483 1 11 . 1 1 98 98 HIS CB C 98 36.270 36.270 32.844 3.426 17767 7484 1 11 . 1 1 98 98 HIS H H 98 9.190 9.190 9.015 0.175 17767 7485 1 11 . 1 1 99 99 GLU N N 99 126.670 126.670 127.575 -0.905 17767 7486 1 11 . 1 1 99 99 GLU HA H 99 5.390 5.390 4.601 0.789 17767 7487 1 11 . 1 1 99 99 GLU C C 99 175.400 175.400 175.474 -0.074 17767 7488 1 11 . 1 1 99 99 GLU CA C 99 55.000 55.000 55.817 -0.817 17767 7489 1 11 . 1 1 99 99 GLU CB C 99 34.000 34.000 31.506 2.494 17767 7490 1 11 . 1 1 99 99 GLU H H 99 8.350 8.350 8.746 -0.396 17767 7491 1 11 . 1 1 101 101 GLU N N 101 125.500 125.500 124.080 1.420 17767 7492 1 11 . 1 1 101 101 GLU HA H 101 5.160 5.160 4.737 0.423 17767 7493 1 11 . 1 1 101 101 GLU CA C 101 54.090 54.090 54.443 -0.353 17767 7494 1 11 . 1 1 101 101 GLU CB C 101 34.800 34.800 32.759 2.041 17767 7495 1 11 . 1 1 101 101 GLU H H 101 8.900 8.900 8.108 0.792 17767 7496 1 11 . 1 1 102 102 VAL N N 102 124.420 124.420 127.033 -2.613 17767 7497 1 11 . 1 1 102 102 VAL HA H 102 4.630 4.630 4.071 0.559 17767 7498 1 11 . 1 1 102 102 VAL C C 102 175.200 175.200 175.911 -0.711 17767 7499 1 11 . 1 1 102 102 VAL CA C 102 61.380 61.380 61.585 -0.205 17767 7500 1 11 . 1 1 102 102 VAL CB C 102 34.100 34.100 31.747 2.353 17767 7501 1 11 . 1 1 102 102 VAL H H 102 8.790 8.790 8.772 0.018 17767 7502 1 11 . 1 1 103 103 LYS N N 103 129.480 129.480 129.290 0.190 17767 7503 1 11 . 1 1 103 103 LYS HA H 103 4.570 4.570 4.504 0.066 17767 7504 1 11 . 1 1 103 103 LYS C C 103 176.500 176.500 176.818 -0.318 17767 7505 1 11 . 1 1 103 103 LYS CA C 103 55.340 55.340 55.131 0.209 17767 7506 1 11 . 1 1 103 103 LYS CB C 103 33.760 33.760 31.841 1.919 17767 7507 1 11 . 1 1 103 103 LYS H H 103 8.950 8.950 9.111 -0.161 17767 7508 1 11 . 1 1 104 104 GLY N N 104 116.700 116.700 114.386 2.314 17767 7509 1 11 . 1 1 104 104 GLY C C 104 174.500 174.500 174.777 -0.277 17767 7510 1 11 . 1 1 104 104 GLY CA C 104 47.680 47.680 46.570 1.110 17767 7511 1 11 . 1 1 104 104 GLY H H 104 9.140 9.140 8.407 0.733 17767 7512 1 11 . 1 1 105 105 ASN N N 105 125.540 125.540 124.331 1.209 17767 7513 1 11 . 1 1 105 105 ASN HA H 105 5.000 5.000 5.011 -0.011 17767 7514 1 11 . 1 1 105 105 ASN CA C 105 53.130 53.130 53.041 0.089 17767 7515 1 11 . 1 1 105 105 ASN CB C 105 39.060 39.060 40.119 -1.059 17767 7516 1 11 . 1 1 105 105 ASN H H 105 9.030 9.030 8.439 0.591 17767 7517 1 11 . 1 1 106 106 GLU N N 106 120.480 120.480 120.284 0.196 17767 7518 1 11 . 1 1 106 106 GLU HA H 106 5.550 5.550 5.240 0.310 17767 7519 1 11 . 1 1 106 106 GLU CA C 106 55.550 55.550 55.287 0.263 17767 7520 1 11 . 1 1 106 106 GLU CB C 106 33.160 33.160 33.387 -0.227 17767 7521 1 11 . 1 1 106 106 GLU H H 106 8.100 8.100 7.721 0.379 17767 7522 1 11 . 1 1 107 107 MET N N 107 124.080 124.080 124.957 -0.877 17767 7523 1 11 . 1 1 107 107 MET HA H 107 5.120 5.120 5.199 -0.079 17767 7524 1 11 . 1 1 107 107 MET CA C 107 53.700 53.700 54.099 -0.399 17767 7525 1 11 . 1 1 107 107 MET CB C 107 36.800 36.800 36.037 0.763 17767 7526 1 11 . 1 1 107 107 MET H H 107 8.930 8.930 9.318 -0.388 17767 7527 1 11 . 1 1 108 108 VAL N N 108 126.820 126.820 127.349 -0.529 17767 7528 1 11 . 1 1 108 108 VAL HA H 108 5.250 5.250 4.595 0.655 17767 7529 1 11 . 1 1 108 108 VAL CA C 108 61.340 61.340 61.201 0.139 17767 7530 1 11 . 1 1 108 108 VAL CB C 108 34.900 34.900 32.100 2.800 17767 7531 1 11 . 1 1 108 108 VAL H H 108 9.017 9.017 8.987 0.030 17767 7532 1 11 . 1 1 109 109 GLU N N 109 128.300 128.300 128.682 -0.382 17767 7533 1 11 . 1 1 109 109 GLU HA H 109 5.040 5.040 4.949 0.091 17767 7534 1 11 . 1 1 109 109 GLU C C 109 174.410 174.410 175.885 -1.475 17767 7535 1 11 . 1 1 109 109 GLU CA C 109 54.440 54.440 54.979 -0.539 17767 7536 1 11 . 1 1 109 109 GLU CB C 109 34.760 34.760 32.791 1.969 17767 7537 1 11 . 1 1 109 109 GLU H H 109 9.100 9.100 8.673 0.427 17767 7538 1 11 . 1 1 110 110 THR N N 110 120.760 120.760 117.069 3.691 17767 7539 1 11 . 1 1 110 110 THR HA H 110 4.850 4.850 4.525 0.325 17767 7540 1 11 . 1 1 110 110 THR C C 110 174.900 174.900 173.125 1.775 17767 7541 1 11 . 1 1 110 110 THR CA C 110 61.980 61.980 62.151 -0.171 17767 7542 1 11 . 1 1 110 110 THR CB C 110 69.520 69.520 69.127 0.393 17767 7543 1 11 . 1 1 110 110 THR H H 110 8.876 8.876 8.164 0.712 17767 7544 1 11 . 1 1 111 111 ILE N N 111 131.030 131.030 126.778 4.252 17767 7545 1 11 . 1 1 111 111 ILE HA H 111 5.240 5.240 5.095 0.145 17767 7546 1 11 . 1 1 111 111 ILE C C 111 174.600 174.600 175.096 -0.496 17767 7547 1 11 . 1 1 111 111 ILE CA C 111 60.310 60.310 59.092 1.218 17767 7548 1 11 . 1 1 111 111 ILE CB C 111 41.220 41.220 40.599 0.621 17767 7549 1 11 . 1 1 111 111 ILE H H 111 9.490 9.490 8.017 1.473 17767 7550 1 11 . 1 1 112 112 THR N N 112 122.800 122.800 118.224 4.576 17767 7551 1 11 . 1 1 112 112 THR HA H 112 5.960 5.960 4.992 0.968 17767 7552 1 11 . 1 1 112 112 THR C C 112 174.370 174.370 173.334 1.036 17767 7553 1 11 . 1 1 112 112 THR CA C 112 61.180 61.180 61.943 -0.763 17767 7554 1 11 . 1 1 112 112 THR CB C 112 71.250 71.250 70.359 0.891 17767 7555 1 11 . 1 1 112 112 THR H H 112 9.490 9.490 8.184 1.306 17767 7556 1 11 . 1 1 113 113 PHE N N 113 124.980 124.980 124.258 0.722 17767 7557 1 11 . 1 1 113 113 PHE HA H 113 4.820 4.820 4.836 -0.016 17767 7558 1 11 . 1 1 113 113 PHE C C 113 175.700 175.700 175.897 -0.197 17767 7559 1 11 . 1 1 113 113 PHE CA C 113 58.800 58.800 58.047 0.753 17767 7560 1 11 . 1 1 113 113 PHE CB C 113 43.480 43.480 43.510 -0.030 17767 7561 1 11 . 1 1 113 113 PHE H H 113 9.000 9.000 8.681 0.319 17767 7562 1 11 . 1 1 114 114 GLY N N 114 116.550 116.550 111.340 5.210 17767 7563 1 11 . 1 1 114 114 GLY C C 114 175.300 175.300 174.693 0.607 17767 7564 1 11 . 1 1 114 114 GLY CA C 114 46.840 46.840 45.878 0.962 17767 7565 1 11 . 1 1 114 114 GLY H H 114 8.410 8.410 9.302 -0.892 17767 7566 1 11 . 1 1 115 115 GLY N N 115 105.640 105.640 106.758 -1.118 17767 7567 1 11 . 1 1 115 115 GLY C C 115 174.200 174.200 173.806 0.394 17767 7568 1 11 . 1 1 115 115 GLY CA C 115 44.890 44.890 44.901 -0.011 17767 7569 1 11 . 1 1 115 115 GLY H H 115 8.560 8.560 8.186 0.374 17767 7570 1 11 . 1 1 116 116 VAL N N 116 123.600 123.600 121.073 2.527 17767 7571 1 11 . 1 1 116 116 VAL HA H 116 4.310 4.310 4.345 -0.035 17767 7572 1 11 . 1 1 116 116 VAL C C 116 174.640 174.640 174.983 -0.343 17767 7573 1 11 . 1 1 116 116 VAL CA C 116 62.250 62.250 60.891 1.359 17767 7574 1 11 . 1 1 116 116 VAL CB C 116 34.170 34.170 34.559 -0.389 17767 7575 1 11 . 1 1 116 116 VAL H H 116 8.164 8.164 7.773 0.391 17767 7576 1 11 . 1 1 117 117 THR N N 117 123.270 123.270 123.622 -0.352 17767 7577 1 11 . 1 1 117 117 THR HA H 117 5.250 5.250 4.619 0.631 17767 7578 1 11 . 1 1 117 117 THR C C 117 173.800 173.800 173.701 0.099 17767 7579 1 11 . 1 1 117 117 THR CA C 117 61.900 61.900 61.960 -0.060 17767 7580 1 11 . 1 1 117 117 THR CB C 117 70.450 70.450 68.469 1.981 17767 7581 1 11 . 1 1 117 117 THR H H 117 8.770 8.770 8.562 0.208 17767 7582 1 11 . 1 1 118 118 LEU N N 118 132.800 132.800 129.981 2.819 17767 7583 1 11 . 1 1 118 118 LEU HA H 118 4.880 4.880 4.473 0.407 17767 7584 1 11 . 1 1 118 118 LEU C C 118 175.200 175.200 174.828 0.372 17767 7585 1 11 . 1 1 118 118 LEU CA C 118 53.570 53.570 53.027 0.543 17767 7586 1 11 . 1 1 118 118 LEU CB C 118 44.730 44.730 42.010 2.720 17767 7587 1 11 . 1 1 118 118 LEU H H 118 9.700 9.700 7.894 1.806 17767 7588 1 11 . 1 1 119 119 ILE N N 119 124.980 124.980 128.306 -3.326 17767 7589 1 11 . 1 1 119 119 ILE HA H 119 5.240 5.240 4.056 1.184 17767 7590 1 11 . 1 1 119 119 ILE C C 119 175.900 175.900 175.663 0.237 17767 7591 1 11 . 1 1 119 119 ILE CA C 119 59.340 59.340 61.659 -2.319 17767 7592 1 11 . 1 1 119 119 ILE CB C 119 39.550 39.550 37.697 1.853 17767 7593 1 11 . 1 1 119 119 ILE H H 119 7.800 7.800 7.859 -0.059 17767 7594 1 11 . 1 1 120 120 ARG N N 120 126.110 126.110 127.802 -1.692 17767 7595 1 11 . 1 1 120 120 ARG HA H 120 5.040 5.040 4.672 0.368 17767 7596 1 11 . 1 1 120 120 ARG C C 120 175.300 175.300 174.480 0.820 17767 7597 1 11 . 1 1 120 120 ARG CA C 120 54.990 54.990 54.943 0.047 17767 7598 1 11 . 1 1 120 120 ARG CB C 120 34.760 34.760 34.434 0.326 17767 7599 1 11 . 1 1 120 120 ARG H H 120 9.400 9.400 8.206 1.194 17767 7600 1 11 . 1 1 121 121 ARG N N 121 126.600 126.600 122.362 4.238 17767 7601 1 11 . 1 1 121 121 ARG HA H 121 5.350 5.350 4.834 0.516 17767 7602 1 11 . 1 1 121 121 ARG C C 121 175.020 175.020 174.941 0.079 17767 7603 1 11 . 1 1 121 121 ARG CA C 121 55.250 55.250 55.302 -0.052 17767 7604 1 11 . 1 1 121 121 ARG CB C 121 31.830 31.830 32.532 -0.702 17767 7605 1 11 . 1 1 121 121 ARG H H 121 9.110 9.110 8.093 1.017 17767 7606 1 11 . 1 1 122 122 SER N N 122 118.200 118.200 120.600 -2.400 17767 7607 1 11 . 1 1 122 122 SER HA H 122 5.730 5.730 5.887 -0.157 17767 7608 1 11 . 1 1 122 122 SER C C 122 173.010 173.010 173.887 -0.877 17767 7609 1 11 . 1 1 122 122 SER CA C 122 58.100 58.100 56.675 1.425 17767 7610 1 11 . 1 1 122 122 SER CB C 122 66.850 66.850 65.820 1.030 17767 7611 1 11 . 1 1 122 122 SER H H 122 9.290 9.290 9.319 -0.029 17767 7612 1 11 . 1 1 123 123 LYS N N 123 120.480 120.480 121.566 -1.086 17767 7613 1 11 . 1 1 123 123 LYS HA H 123 5.780 5.780 5.356 0.424 17767 7614 1 11 . 1 1 123 123 LYS C C 123 175.600 175.600 175.719 -0.119 17767 7615 1 11 . 1 1 123 123 LYS CA C 123 54.130 54.130 54.682 -0.552 17767 7616 1 11 . 1 1 123 123 LYS CB C 123 36.330 36.330 36.195 0.135 17767 7617 1 11 . 1 1 123 123 LYS H H 123 8.650 8.650 9.367 -0.717 17767 7618 1 11 . 1 1 124 124 ARG N N 124 124.980 124.980 125.354 -0.374 17767 7619 1 11 . 1 1 124 124 ARG HA H 124 3.940 3.940 4.661 -0.721 17767 7620 1 11 . 1 1 124 124 ARG C C 124 176.500 176.500 175.957 0.543 17767 7621 1 11 . 1 1 124 124 ARG CA C 124 56.900 56.900 55.816 1.084 17767 7622 1 11 . 1 1 124 124 ARG CB C 124 30.380 30.380 31.630 -1.250 17767 7623 1 11 . 1 1 124 124 ARG H H 124 8.200 8.200 8.995 -0.795 17767 7624 1 12 . 1 1 2 2 PHE HA H 2 4.460 4.460 4.751 -0.291 17767 7625 1 12 . 1 1 2 2 PHE C C 2 175.900 175.900 176.935 -1.035 17767 7626 1 12 . 1 1 2 2 PHE CA C 2 61.170 61.170 59.239 1.931 17767 7627 1 12 . 1 1 2 2 PHE CB C 2 40.690 40.690 39.713 0.977 17767 7628 1 12 . 1 1 3 3 SER N N 3 111.380 111.380 114.812 -3.432 17767 7629 1 12 . 1 1 3 3 SER HA H 3 4.420 4.420 4.393 0.027 17767 7630 1 12 . 1 1 3 3 SER C C 3 174.700 174.700 174.940 -0.240 17767 7631 1 12 . 1 1 3 3 SER CA C 3 60.000 60.000 59.838 0.162 17767 7632 1 12 . 1 1 3 3 SER CB C 3 64.140 64.140 62.585 1.555 17767 7633 1 12 . 1 1 3 3 SER H H 3 7.968 7.968 7.944 0.024 17767 7634 1 12 . 1 1 4 4 GLY N N 4 111.480 111.480 112.742 -1.262 17767 7635 1 12 . 1 1 4 4 GLY C C 4 171.800 171.800 171.944 -0.144 17767 7636 1 12 . 1 1 4 4 GLY CA C 4 44.150 44.150 45.467 -1.317 17767 7637 1 12 . 1 1 4 4 GLY H H 4 9.080 9.080 8.995 0.085 17767 7638 1 12 . 1 1 5 5 THR N N 5 117.770 117.770 113.212 4.558 17767 7639 1 12 . 1 1 5 5 THR HA H 5 4.980 4.980 5.071 -0.091 17767 7640 1 12 . 1 1 5 5 THR C C 5 173.190 173.190 173.040 0.150 17767 7641 1 12 . 1 1 5 5 THR CA C 5 62.930 62.930 60.438 2.492 17767 7642 1 12 . 1 1 5 5 THR CB C 5 69.310 69.310 70.328 -1.018 17767 7643 1 12 . 1 1 5 5 THR H H 5 8.270 8.270 7.885 0.385 17767 7644 1 12 . 1 1 6 6 TRP N N 6 127.500 127.500 125.601 1.899 17767 7645 1 12 . 1 1 6 6 TRP HA H 6 5.130 5.130 5.220 -0.090 17767 7646 1 12 . 1 1 6 6 TRP CA C 6 55.300 55.300 55.439 -0.139 17767 7647 1 12 . 1 1 6 6 TRP CB C 6 32.290 32.290 31.573 0.717 17767 7648 1 12 . 1 1 6 6 TRP H H 6 9.560 9.560 9.049 0.511 17767 7649 1 12 . 1 1 7 7 GLN HA H 7 4.970 4.970 4.819 0.151 17767 7650 1 12 . 1 1 7 7 GLN C C 7 175.900 175.900 174.395 1.505 17767 7651 1 12 . 1 1 7 7 GLN CA C 7 54.720 54.720 54.082 0.638 17767 7652 1 12 . 1 1 7 7 GLN CB C 7 32.400 32.400 30.558 1.842 17767 7653 1 12 . 1 1 8 8 VAL N N 8 131.400 131.400 127.776 3.624 17767 7654 1 12 . 1 1 8 8 VAL HA H 8 4.450 4.450 4.593 -0.143 17767 7655 1 12 . 1 1 8 8 VAL CA C 8 63.500 63.500 61.118 2.382 17767 7656 1 12 . 1 1 8 8 VAL CB C 8 32.300 32.300 32.850 -0.550 17767 7657 1 12 . 1 1 8 8 VAL H H 8 8.270 8.270 8.619 -0.349 17767 7658 1 12 . 1 1 9 9 TYR N N 9 123.300 123.300 122.078 1.222 17767 7659 1 12 . 1 1 9 9 TYR HA H 9 5.140 5.140 4.828 0.312 17767 7660 1 12 . 1 1 9 9 TYR C C 9 174.600 174.600 172.643 1.957 17767 7661 1 12 . 1 1 9 9 TYR CA C 9 56.600 56.600 55.613 0.987 17767 7662 1 12 . 1 1 9 9 TYR CB C 9 40.880 40.880 40.006 0.874 17767 7663 1 12 . 1 1 9 9 TYR H H 9 9.570 9.570 8.953 0.617 17767 7664 1 12 . 1 1 10 10 ALA N N 10 125.800 125.800 124.665 1.135 17767 7665 1 12 . 1 1 10 10 ALA HA H 10 4.680 4.680 4.404 0.276 17767 7666 1 12 . 1 1 10 10 ALA C C 10 175.200 175.200 175.456 -0.256 17767 7667 1 12 . 1 1 10 10 ALA CA C 10 51.780 51.780 52.048 -0.268 17767 7668 1 12 . 1 1 10 10 ALA CB C 10 22.070 22.070 21.457 0.613 17767 7669 1 12 . 1 1 10 10 ALA H H 10 7.330 7.330 8.080 -0.750 17767 7670 1 12 . 1 1 11 11 GLN N N 11 118.300 118.300 120.112 -1.812 17767 7671 1 12 . 1 1 11 11 GLN HA H 11 5.370 5.370 4.562 0.808 17767 7672 1 12 . 1 1 11 11 GLN C C 11 174.700 174.700 175.847 -1.147 17767 7673 1 12 . 1 1 11 11 GLN CA C 11 54.460 54.460 55.447 -0.987 17767 7674 1 12 . 1 1 11 11 GLN CB C 11 32.870 32.870 28.558 4.312 17767 7675 1 12 . 1 1 11 11 GLN H H 11 8.700 8.700 8.666 0.034 17767 7676 1 12 . 1 1 12 12 GLU N N 12 123.800 123.800 120.052 3.748 17767 7677 1 12 . 1 1 12 12 GLU HA H 12 4.600 4.600 4.426 0.174 17767 7678 1 12 . 1 1 12 12 GLU C C 12 175.700 175.700 176.746 -1.046 17767 7679 1 12 . 1 1 12 12 GLU CA C 12 55.300 55.300 55.159 0.141 17767 7680 1 12 . 1 1 12 12 GLU CB C 12 31.760 31.760 30.854 0.906 17767 7681 1 12 . 1 1 12 12 GLU H H 12 9.130 9.130 8.097 1.033 17767 7682 1 12 . 1 1 13 13 ASN N N 13 117.550 117.550 117.828 -0.278 17767 7683 1 12 . 1 1 13 13 ASN HA H 13 4.790 4.790 4.604 0.186 17767 7684 1 12 . 1 1 13 13 ASN C C 13 175.600 175.600 175.936 -0.336 17767 7685 1 12 . 1 1 13 13 ASN CA C 13 54.100 54.100 53.430 0.670 17767 7686 1 12 . 1 1 13 13 ASN CB C 13 37.100 37.100 37.295 -0.195 17767 7687 1 12 . 1 1 13 13 ASN H H 13 9.130 9.130 8.838 0.292 17767 7688 1 12 . 1 1 14 14 TYR N N 14 118.280 118.280 122.714 -4.434 17767 7689 1 12 . 1 1 14 14 TYR HA H 14 4.360 4.360 4.077 0.283 17767 7690 1 12 . 1 1 14 14 TYR C C 14 176.500 176.500 176.797 -0.297 17767 7691 1 12 . 1 1 14 14 TYR CA C 14 60.590 60.590 62.582 -1.992 17767 7692 1 12 . 1 1 14 14 TYR CB C 14 39.450 39.450 38.839 0.611 17767 7693 1 12 . 1 1 14 14 TYR H H 14 7.900 7.900 7.662 0.238 17767 7694 1 12 . 1 1 15 15 GLU N N 15 118.600 118.600 117.214 1.386 17767 7695 1 12 . 1 1 15 15 GLU HA H 15 3.550 3.550 4.049 -0.499 17767 7696 1 12 . 1 1 15 15 GLU C C 15 178.500 178.500 178.533 -0.033 17767 7697 1 12 . 1 1 15 15 GLU CA C 15 61.170 61.170 59.306 1.864 17767 7698 1 12 . 1 1 15 15 GLU CB C 15 28.700 28.700 28.888 -0.188 17767 7699 1 12 . 1 1 15 15 GLU H H 15 8.960 8.960 9.018 -0.058 17767 7700 1 12 . 1 1 16 16 GLU N N 16 118.800 118.800 119.580 -0.780 17767 7701 1 12 . 1 1 16 16 GLU HA H 16 3.880 3.880 4.183 -0.303 17767 7702 1 12 . 1 1 16 16 GLU C C 16 178.600 178.600 178.510 0.090 17767 7703 1 12 . 1 1 16 16 GLU CA C 16 60.300 60.300 58.228 2.072 17767 7704 1 12 . 1 1 16 16 GLU CB C 16 28.600 28.600 29.772 -1.172 17767 7705 1 12 . 1 1 16 16 GLU H H 16 9.090 9.090 8.045 1.045 17767 7706 1 12 . 1 1 17 17 PHE N N 17 124.200 124.200 121.331 2.869 17767 7707 1 12 . 1 1 17 17 PHE HA H 17 3.960 3.960 4.211 -0.251 17767 7708 1 12 . 1 1 17 17 PHE C C 17 176.400 176.400 176.779 -0.379 17767 7709 1 12 . 1 1 17 17 PHE CA C 17 62.350 62.350 59.669 2.681 17767 7710 1 12 . 1 1 17 17 PHE CB C 17 40.380 40.380 38.951 1.429 17767 7711 1 12 . 1 1 17 17 PHE H H 17 8.410 8.410 8.371 0.039 17767 7712 1 12 . 1 1 18 18 LEU N N 18 116.400 116.400 118.264 -1.864 17767 7713 1 12 . 1 1 18 18 LEU HA H 18 3.780 3.780 3.450 0.330 17767 7714 1 12 . 1 1 18 18 LEU C C 18 178.800 178.800 178.609 0.191 17767 7715 1 12 . 1 1 18 18 LEU CA C 18 58.240 58.240 57.856 0.384 17767 7716 1 12 . 1 1 18 18 LEU CB C 18 41.220 41.220 41.187 0.033 17767 7717 1 12 . 1 1 18 18 LEU H H 18 8.200 8.200 7.729 0.470 17767 7718 1 12 . 1 1 19 19 LYS N N 19 116.590 116.590 117.046 -0.456 17767 7719 1 12 . 1 1 19 19 LYS HA H 19 4.040 4.040 4.076 -0.036 17767 7720 1 12 . 1 1 19 19 LYS C C 19 179.800 179.800 178.920 0.880 17767 7721 1 12 . 1 1 19 19 LYS CA C 19 58.820 58.820 58.722 0.098 17767 7722 1 12 . 1 1 19 19 LYS CB C 19 32.150 32.150 32.047 0.103 17767 7723 1 12 . 1 1 19 19 LYS H H 19 7.790 7.790 7.648 0.142 17767 7724 1 12 . 1 1 20 20 ALA N N 20 126.110 126.110 120.610 5.500 17767 7725 1 12 . 1 1 20 20 ALA HA H 20 4.160 4.160 4.296 -0.136 17767 7726 1 12 . 1 1 20 20 ALA C C 20 178.600 178.600 177.689 0.911 17767 7727 1 12 . 1 1 20 20 ALA CA C 20 55.300 55.300 53.623 1.677 17767 7728 1 12 . 1 1 20 20 ALA CB C 20 17.700 17.700 18.736 -1.036 17767 7729 1 12 . 1 1 20 20 ALA H H 20 7.990 7.990 7.250 0.740 17767 7730 1 12 . 1 1 21 21 LEU N N 21 117.110 117.110 117.408 -0.298 17767 7731 1 12 . 1 1 21 21 LEU HA H 21 3.688 3.688 4.347 -0.659 17767 7732 1 12 . 1 1 21 21 LEU C C 21 176.100 176.100 175.725 0.375 17767 7733 1 12 . 1 1 21 21 LEU CA C 21 55.400 55.400 53.621 1.779 17767 7734 1 12 . 1 1 21 21 LEU CB C 21 42.700 42.700 41.601 1.099 17767 7735 1 12 . 1 1 21 21 LEU H H 21 7.380 7.380 7.253 0.127 17767 7736 1 12 . 1 1 22 22 ALA N N 22 118.800 118.800 118.853 -0.053 17767 7737 1 12 . 1 1 22 22 ALA HA H 22 3.985 3.985 3.931 0.054 17767 7738 1 12 . 1 1 22 22 ALA C C 22 177.000 177.000 176.811 0.189 17767 7739 1 12 . 1 1 22 22 ALA CA C 22 52.370 52.370 52.693 -0.323 17767 7740 1 12 . 1 1 22 22 ALA CB C 22 15.960 15.960 16.798 -0.838 17767 7741 1 12 . 1 1 22 22 ALA H H 22 7.920 7.920 7.276 0.644 17767 7742 1 12 . 1 1 23 23 LEU N N 23 118.470 118.470 119.129 -0.659 17767 7743 1 12 . 1 1 23 23 LEU HA H 23 4.425 4.425 4.416 0.009 17767 7744 1 12 . 1 1 23 23 LEU C C 23 174.500 174.500 175.235 -0.735 17767 7745 1 12 . 1 1 23 23 LEU CA C 23 54.130 54.130 52.597 1.533 17767 7746 1 12 . 1 1 23 23 LEU CB C 23 41.220 41.220 42.027 -0.807 17767 7747 1 12 . 1 1 23 23 LEU H H 23 6.950 6.950 7.362 -0.412 17767 7748 1 12 . 1 1 24 24 PRO HA H 24 4.475 4.475 4.479 -0.004 17767 7749 1 12 . 1 1 24 24 PRO C C 24 177.500 177.500 177.453 0.047 17767 7750 1 12 . 1 1 24 24 PRO CA C 24 62.940 62.940 62.870 0.070 17767 7751 1 12 . 1 1 24 24 PRO CB C 24 32.600 32.600 32.111 0.489 17767 7752 1 12 . 1 1 25 25 GLU N N 25 122.500 122.500 124.006 -1.506 17767 7753 1 12 . 1 1 25 25 GLU HA H 25 3.860 3.860 3.807 0.053 17767 7754 1 12 . 1 1 25 25 GLU C C 25 177.900 177.900 178.291 -0.391 17767 7755 1 12 . 1 1 25 25 GLU CA C 25 60.100 60.100 60.130 -0.030 17767 7756 1 12 . 1 1 25 25 GLU CB C 25 29.690 29.690 29.258 0.433 17767 7757 1 12 . 1 1 25 25 GLU H H 25 8.840 8.840 8.894 -0.054 17767 7758 1 12 . 1 1 26 26 ASP N N 26 117.110 117.110 118.681 -1.571 17767 7759 1 12 . 1 1 26 26 ASP HA H 26 4.360 4.360 4.447 -0.087 17767 7760 1 12 . 1 1 26 26 ASP C C 26 177.900 177.900 178.406 -0.506 17767 7761 1 12 . 1 1 26 26 ASP CA C 26 57.080 57.080 56.912 0.168 17767 7762 1 12 . 1 1 26 26 ASP CB C 26 40.040 40.040 40.709 -0.669 17767 7763 1 12 . 1 1 26 26 ASP H H 26 8.920 8.920 8.450 0.470 17767 7764 1 12 . 1 1 27 27 LEU N N 27 121.990 121.990 120.913 1.077 17767 7765 1 12 . 1 1 27 27 LEU HA H 27 4.270 4.270 4.182 0.088 17767 7766 1 12 . 1 1 27 27 LEU C C 27 178.070 178.070 178.148 -0.078 17767 7767 1 12 . 1 1 27 27 LEU CA C 27 57.650 57.650 57.317 0.333 17767 7768 1 12 . 1 1 27 27 LEU CB C 27 42.230 42.230 42.320 -0.090 17767 7769 1 12 . 1 1 27 27 LEU H H 27 7.220 7.220 7.499 -0.279 17767 7770 1 12 . 1 1 28 28 ILE N N 28 120.350 120.350 119.942 0.408 17767 7771 1 12 . 1 1 28 28 ILE HA H 28 3.317 3.317 3.507 -0.190 17767 7772 1 12 . 1 1 28 28 ILE C C 28 177.400 177.400 178.038 -0.638 17767 7773 1 12 . 1 1 28 28 ILE CA C 28 67.040 67.040 65.674 1.366 17767 7774 1 12 . 1 1 28 28 ILE CB C 28 37.110 37.110 37.478 -0.368 17767 7775 1 12 . 1 1 28 28 ILE H H 28 7.900 7.900 8.204 -0.304 17767 7776 1 12 . 1 1 29 29 LYS N N 29 117.110 117.110 116.871 0.239 17767 7777 1 12 . 1 1 29 29 LYS HA H 29 3.947 3.947 4.067 -0.120 17767 7778 1 12 . 1 1 29 29 LYS C C 29 178.900 178.900 177.677 1.223 17767 7779 1 12 . 1 1 29 29 LYS CA C 29 60.000 60.000 59.179 0.821 17767 7780 1 12 . 1 1 29 29 LYS CB C 29 32.390 32.390 32.321 0.069 17767 7781 1 12 . 1 1 29 29 LYS H H 29 7.850 7.850 7.657 0.193 17767 7782 1 12 . 1 1 30 30 MET N N 30 117.110 117.110 117.327 -0.217 17767 7783 1 12 . 1 1 30 30 MET HA H 30 4.320 4.320 4.500 -0.180 17767 7784 1 12 . 1 1 30 30 MET C C 30 177.500 177.500 177.928 -0.428 17767 7785 1 12 . 1 1 30 30 MET CA C 30 57.650 57.650 57.784 -0.134 17767 7786 1 12 . 1 1 30 30 MET CB C 30 32.970 32.970 33.862 -0.892 17767 7787 1 12 . 1 1 30 30 MET H H 30 7.450 7.450 7.518 -0.068 17767 7788 1 12 . 1 1 31 31 ALA N N 31 120.480 120.480 122.197 -1.717 17767 7789 1 12 . 1 1 31 31 ALA HA H 31 4.270 4.270 4.094 0.176 17767 7790 1 12 . 1 1 31 31 ALA CA C 31 53.545 53.545 54.865 -1.320 17767 7791 1 12 . 1 1 31 31 ALA CB C 31 19.290 19.290 18.585 0.705 17767 7792 1 12 . 1 1 31 31 ALA H H 31 8.420 8.420 8.737 -0.317 17767 7793 1 12 . 1 1 32 32 ARG N N 32 122.170 122.170 115.715 6.455 17767 7794 1 12 . 1 1 32 32 ARG HA H 32 4.109 4.109 4.136 -0.027 17767 7795 1 12 . 1 1 32 32 ARG C C 32 176.500 176.500 176.975 -0.475 17767 7796 1 12 . 1 1 32 32 ARG CA C 32 61.170 61.170 58.574 2.596 17767 7797 1 12 . 1 1 32 32 ARG CB C 32 30.600 30.600 30.003 0.597 17767 7798 1 12 . 1 1 32 32 ARG H H 32 7.770 7.770 7.694 0.076 17767 7799 1 12 . 1 1 33 33 ASP N N 33 116.550 116.550 118.377 -1.827 17767 7800 1 12 . 1 1 33 33 ASP HA H 33 4.920 4.920 4.692 0.228 17767 7801 1 12 . 1 1 33 33 ASP C C 33 175.900 175.900 176.181 -0.281 17767 7802 1 12 . 1 1 33 33 ASP CA C 33 54.130 54.130 54.738 -0.608 17767 7803 1 12 . 1 1 33 33 ASP CB C 33 41.760 41.760 43.138 -1.378 17767 7804 1 12 . 1 1 33 33 ASP H H 33 8.330 8.330 7.784 0.546 17767 7805 1 12 . 1 1 34 34 ILE N N 34 120.060 120.060 121.567 -1.507 17767 7806 1 12 . 1 1 34 34 ILE HA H 34 4.120 4.120 3.924 0.196 17767 7807 1 12 . 1 1 34 34 ILE C C 34 176.100 176.100 175.076 1.024 17767 7808 1 12 . 1 1 34 34 ILE CA C 34 61.170 61.170 62.782 -1.612 17767 7809 1 12 . 1 1 34 34 ILE CB C 34 37.860 37.860 38.150 -0.290 17767 7810 1 12 . 1 1 34 34 ILE H H 34 7.240 7.240 7.696 -0.456 17767 7811 1 12 . 1 1 35 35 LYS N N 35 131.170 131.170 127.942 3.228 17767 7812 1 12 . 1 1 35 35 LYS HA H 35 4.700 4.700 4.775 -0.075 17767 7813 1 12 . 1 1 35 35 LYS C C 35 173.700 173.700 174.154 -0.454 17767 7814 1 12 . 1 1 35 35 LYS CA C 35 52.970 52.970 53.610 -0.640 17767 7815 1 12 . 1 1 35 35 LYS CB C 35 32.750 32.750 32.640 0.110 17767 7816 1 12 . 1 1 35 35 LYS H H 35 8.980 8.980 8.319 0.661 17767 7817 1 12 . 1 1 36 36 PRO HA H 36 4.510 4.510 4.400 0.110 17767 7818 1 12 . 1 1 36 36 PRO CA C 36 63.523 63.523 62.335 1.188 17767 7819 1 12 . 1 1 36 36 PRO CB C 36 32.840 32.840 32.347 0.493 17767 7820 1 12 . 1 1 37 37 ILE HA H 37 4.920 4.920 4.232 0.688 17767 7821 1 12 . 1 1 37 37 ILE C C 37 175.500 175.500 175.295 0.205 17767 7822 1 12 . 1 1 37 37 ILE CA C 37 60.588 60.588 60.213 0.375 17767 7823 1 12 . 1 1 37 37 ILE CB C 37 40.630 40.630 39.654 0.976 17767 7824 1 12 . 1 1 38 38 VAL N N 38 129.000 129.000 129.254 -0.254 17767 7825 1 12 . 1 1 38 38 VAL HA H 38 5.120 5.120 4.315 0.805 17767 7826 1 12 . 1 1 38 38 VAL C C 38 175.100 175.100 175.078 0.022 17767 7827 1 12 . 1 1 38 38 VAL CA C 38 61.176 61.176 60.820 0.356 17767 7828 1 12 . 1 1 38 38 VAL CB C 38 34.850 34.850 31.283 3.567 17767 7829 1 12 . 1 1 38 38 VAL H H 38 9.540 9.540 9.170 0.370 17767 7830 1 12 . 1 1 39 39 GLU N N 39 128.350 128.350 129.342 -0.992 17767 7831 1 12 . 1 1 39 39 GLU HA H 39 5.440 5.440 4.656 0.784 17767 7832 1 12 . 1 1 39 39 GLU C C 39 176.000 176.000 174.633 1.367 17767 7833 1 12 . 1 1 39 39 GLU CA C 39 54.720 54.720 56.488 -1.768 17767 7834 1 12 . 1 1 39 39 GLU CB C 39 32.410 32.410 30.935 1.475 17767 7835 1 12 . 1 1 39 39 GLU H H 39 9.590 9.590 8.333 1.257 17767 7836 1 12 . 1 1 40 40 ILE N N 40 126.110 126.110 126.860 -0.750 17767 7837 1 12 . 1 1 40 40 ILE HA H 40 5.050 5.050 4.983 0.067 17767 7838 1 12 . 1 1 40 40 ILE C C 40 175.800 175.800 173.108 2.692 17767 7839 1 12 . 1 1 40 40 ILE CA C 40 61.330 61.330 58.849 2.481 17767 7840 1 12 . 1 1 40 40 ILE CB C 40 40.160 40.160 41.958 -1.798 17767 7841 1 12 . 1 1 40 40 ILE H H 40 9.630 9.630 8.798 0.832 17767 7842 1 12 . 1 1 41 41 GLN N N 41 128.360 128.360 126.980 1.380 17767 7843 1 12 . 1 1 41 41 GLN HA H 41 4.720 4.720 4.848 -0.128 17767 7844 1 12 . 1 1 41 41 GLN C C 41 173.900 173.900 173.239 0.661 17767 7845 1 12 . 1 1 41 41 GLN CA C 41 54.940 54.940 53.804 1.136 17767 7846 1 12 . 1 1 41 41 GLN CB C 41 31.820 31.820 31.954 -0.134 17767 7847 1 12 . 1 1 41 41 GLN H H 41 9.270 9.270 8.589 0.681 17767 7848 1 12 . 1 1 42 42 GLN N N 42 126.110 126.110 122.246 3.864 17767 7849 1 12 . 1 1 42 42 GLN HA H 42 4.380 4.380 4.608 -0.228 17767 7850 1 12 . 1 1 42 42 GLN C C 42 174.700 174.700 174.519 0.181 17767 7851 1 12 . 1 1 42 42 GLN CA C 42 54.150 54.150 53.737 0.413 17767 7852 1 12 . 1 1 42 42 GLN CB C 42 30.000 30.000 31.438 -1.438 17767 7853 1 12 . 1 1 42 42 GLN H H 42 8.250 8.250 8.330 -0.080 17767 7854 1 12 . 1 1 43 43 LYS N N 43 130.610 130.610 121.298 9.312 17767 7855 1 12 . 1 1 43 43 LYS HA H 43 4.460 4.460 4.456 0.004 17767 7856 1 12 . 1 1 43 43 LYS C C 43 176.030 176.030 176.034 -0.004 17767 7857 1 12 . 1 1 43 43 LYS CA C 43 55.306 55.306 55.764 -0.458 17767 7858 1 12 . 1 1 43 43 LYS CB C 43 33.270 33.270 33.219 0.051 17767 7859 1 12 . 1 1 43 43 LYS H H 43 8.820 8.820 8.668 0.152 17767 7860 1 12 . 1 1 44 44 GLY N N 44 117.110 117.110 114.861 2.249 17767 7861 1 12 . 1 1 44 44 GLY C C 44 174.300 174.300 174.494 -0.194 17767 7862 1 12 . 1 1 44 44 GLY CA C 44 47.480 47.480 45.911 1.569 17767 7863 1 12 . 1 1 44 44 GLY H H 44 8.940 8.940 8.211 0.729 17767 7864 1 12 . 1 1 45 45 ASP N N 45 127.799 127.799 124.748 3.051 17767 7865 1 12 . 1 1 45 45 ASP HA H 45 4.870 4.870 5.034 -0.164 17767 7866 1 12 . 1 1 45 45 ASP C C 45 174.700 174.700 175.577 -0.877 17767 7867 1 12 . 1 1 45 45 ASP CA C 45 54.719 54.719 54.720 -0.001 17767 7868 1 12 . 1 1 45 45 ASP CB C 45 41.270 41.270 42.534 -1.264 17767 7869 1 12 . 1 1 45 45 ASP H H 45 8.870 8.870 8.424 0.446 17767 7870 1 12 . 1 1 46 46 ASP N N 46 120.480 120.480 121.919 -1.439 17767 7871 1 12 . 1 1 46 46 ASP HA H 46 5.230 5.230 5.345 -0.115 17767 7872 1 12 . 1 1 46 46 ASP C C 46 175.070 175.070 174.816 0.254 17767 7873 1 12 . 1 1 46 46 ASP CA C 46 54.132 54.132 55.462 -1.330 17767 7874 1 12 . 1 1 46 46 ASP CB C 46 41.570 41.570 42.024 -0.454 17767 7875 1 12 . 1 1 46 46 ASP H H 46 8.060 8.060 7.593 0.467 17767 7876 1 12 . 1 1 47 47 PHE N N 47 122.730 122.730 122.019 0.711 17767 7877 1 12 . 1 1 47 47 PHE HA H 47 5.090 5.090 4.812 0.278 17767 7878 1 12 . 1 1 47 47 PHE C C 47 176.400 176.400 174.480 1.920 17767 7879 1 12 . 1 1 47 47 PHE CA C 47 56.420 56.420 55.789 0.631 17767 7880 1 12 . 1 1 47 47 PHE CB C 47 44.150 44.150 42.565 1.585 17767 7881 1 12 . 1 1 47 47 PHE H H 47 9.296 9.296 9.181 0.115 17767 7882 1 12 . 1 1 48 48 VAL N N 48 121.690 121.690 121.723 -0.033 17767 7883 1 12 . 1 1 48 48 VAL HA H 48 4.500 4.500 4.485 0.015 17767 7884 1 12 . 1 1 48 48 VAL C C 48 175.700 175.700 174.600 1.100 17767 7885 1 12 . 1 1 48 48 VAL CA C 48 62.930 62.930 61.701 1.229 17767 7886 1 12 . 1 1 48 48 VAL CB C 48 34.670 34.670 32.859 1.811 17767 7887 1 12 . 1 1 48 48 VAL H H 48 8.520 8.520 9.029 -0.509 17767 7888 1 12 . 1 1 49 49 VAL N N 49 127.200 127.200 128.831 -1.631 17767 7889 1 12 . 1 1 49 49 VAL HA H 49 5.250 5.250 4.527 0.723 17767 7890 1 12 . 1 1 49 49 VAL C C 49 175.700 175.700 175.210 0.490 17767 7891 1 12 . 1 1 49 49 VAL CA C 49 61.180 61.180 61.729 -0.549 17767 7892 1 12 . 1 1 49 49 VAL CB C 49 34.660 34.660 33.020 1.640 17767 7893 1 12 . 1 1 49 49 VAL H H 49 9.330 9.330 9.330 -0.000 17767 7894 1 12 . 1 1 50 50 THR N N 50 128.500 128.500 125.763 2.737 17767 7895 1 12 . 1 1 50 50 THR HA H 50 5.430 5.430 4.869 0.561 17767 7896 1 12 . 1 1 50 50 THR C C 50 173.810 173.810 173.406 0.404 17767 7897 1 12 . 1 1 50 50 THR CA C 50 61.530 61.530 61.846 -0.316 17767 7898 1 12 . 1 1 50 50 THR CB C 50 70.760 70.760 69.998 0.762 17767 7899 1 12 . 1 1 50 50 THR H H 50 9.730 9.730 9.457 0.273 17767 7900 1 12 . 1 1 51 51 SER N N 51 122.730 122.730 123.647 -0.917 17767 7901 1 12 . 1 1 51 51 SER HA H 51 5.430 5.430 4.851 0.579 17767 7902 1 12 . 1 1 51 51 SER C C 51 173.800 173.800 173.631 0.169 17767 7903 1 12 . 1 1 51 51 SER CA C 51 57.060 57.060 56.998 0.062 17767 7904 1 12 . 1 1 51 51 SER CB C 51 64.550 64.550 63.400 1.151 17767 7905 1 12 . 1 1 51 51 SER H H 51 9.190 9.190 9.122 0.068 17767 7906 1 12 . 1 1 52 52 LYS N N 52 125.550 125.550 128.146 -2.596 17767 7907 1 12 . 1 1 52 52 LYS HA H 52 5.310 5.310 4.438 0.872 17767 7908 1 12 . 1 1 52 52 LYS C C 52 175.900 175.900 175.864 0.036 17767 7909 1 12 . 1 1 52 52 LYS CA C 52 56.120 56.120 55.780 0.340 17767 7910 1 12 . 1 1 52 52 LYS CB C 52 36.130 36.130 33.054 3.076 17767 7911 1 12 . 1 1 52 52 LYS H H 52 9.490 9.490 8.597 0.893 17767 7912 1 12 . 1 1 53 53 THR N N 53 115.980 115.980 115.348 0.632 17767 7913 1 12 . 1 1 53 53 THR HA H 53 5.024 5.024 4.931 0.093 17767 7914 1 12 . 1 1 53 53 THR C C 53 173.400 173.400 173.253 0.147 17767 7915 1 12 . 1 1 53 53 THR CA C 53 59.140 59.140 57.877 1.263 17767 7916 1 12 . 1 1 53 53 THR CB C 53 69.300 69.300 71.045 -1.745 17767 7917 1 12 . 1 1 53 53 THR H H 53 8.760 8.760 7.742 1.018 17767 7918 1 12 . 1 1 54 54 PRO HA H 54 4.350 4.350 4.281 0.069 17767 7919 1 12 . 1 1 54 54 PRO C C 54 177.200 177.200 177.282 -0.082 17767 7920 1 12 . 1 1 54 54 PRO CA C 54 66.458 66.458 64.717 1.741 17767 7921 1 12 . 1 1 54 54 PRO CB C 54 32.400 32.400 31.912 0.488 17767 7922 1 12 . 1 1 55 55 ARG N N 55 111.480 111.480 117.020 -5.540 17767 7923 1 12 . 1 1 55 55 ARG HA H 55 4.510 4.510 4.395 0.115 17767 7924 1 12 . 1 1 55 55 ARG C C 55 175.800 175.800 176.660 -0.860 17767 7925 1 12 . 1 1 55 55 ARG CA C 55 55.893 55.893 57.162 -1.269 17767 7926 1 12 . 1 1 55 55 ARG CB C 55 32.520 32.520 31.740 0.780 17767 7927 1 12 . 1 1 55 55 ARG H H 55 8.010 8.010 7.801 0.209 17767 7928 1 12 . 1 1 56 56 GLN N N 56 118.230 118.230 116.378 1.852 17767 7929 1 12 . 1 1 56 56 GLN HA H 56 4.830 4.830 4.567 0.263 17767 7930 1 12 . 1 1 56 56 GLN C C 56 174.200 174.200 173.855 0.345 17767 7931 1 12 . 1 1 56 56 GLN CA C 56 55.610 55.610 54.981 0.629 17767 7932 1 12 . 1 1 56 56 GLN CB C 56 32.880 32.880 32.692 0.188 17767 7933 1 12 . 1 1 56 56 GLN H H 56 7.530 7.530 8.492 -0.962 17767 7934 1 12 . 1 1 57 57 THR N N 57 120.480 120.480 121.287 -0.807 17767 7935 1 12 . 1 1 57 57 THR HA H 57 5.330 5.330 5.339 -0.009 17767 7936 1 12 . 1 1 57 57 THR C C 57 174.000 174.000 174.435 -0.435 17767 7937 1 12 . 1 1 57 57 THR CA C 57 61.760 61.760 61.864 -0.104 17767 7938 1 12 . 1 1 57 57 THR CB C 57 71.500 71.500 69.017 2.483 17767 7939 1 12 . 1 1 57 57 THR H H 57 8.610 8.610 8.445 0.165 17767 7940 1 12 . 1 1 58 58 VAL N N 58 125.200 125.200 124.112 1.088 17767 7941 1 12 . 1 1 58 58 VAL HA H 58 4.540 4.540 4.602 -0.062 17767 7942 1 12 . 1 1 58 58 VAL C C 58 174.400 174.400 174.511 -0.111 17767 7943 1 12 . 1 1 58 58 VAL CA C 58 61.170 61.170 59.518 1.652 17767 7944 1 12 . 1 1 58 58 VAL CB C 58 35.560 35.560 33.990 1.570 17767 7945 1 12 . 1 1 58 58 VAL H H 58 8.830 8.830 8.274 0.556 17767 7946 1 12 . 1 1 59 59 THR N N 59 125.500 125.500 117.927 7.573 17767 7947 1 12 . 1 1 59 59 THR HA H 59 5.260 5.260 5.136 0.124 17767 7948 1 12 . 1 1 59 59 THR C C 59 173.400 173.400 173.885 -0.485 17767 7949 1 12 . 1 1 59 59 THR CA C 59 61.980 61.980 60.290 1.690 17767 7950 1 12 . 1 1 59 59 THR CB C 59 71.150 71.150 70.114 1.036 17767 7951 1 12 . 1 1 59 59 THR H H 59 8.870 8.870 8.479 0.391 17767 7952 1 12 . 1 1 60 60 ASN N N 60 124.700 124.700 126.508 -1.808 17767 7953 1 12 . 1 1 60 60 ASN HA H 60 5.270 5.270 5.114 0.156 17767 7954 1 12 . 1 1 60 60 ASN C C 60 173.300 173.300 173.586 -0.286 17767 7955 1 12 . 1 1 60 60 ASN CA C 60 53.000 53.000 52.604 0.396 17767 7956 1 12 . 1 1 60 60 ASN CB C 60 44.700 44.700 42.309 2.391 17767 7957 1 12 . 1 1 60 60 ASN H H 60 9.180 9.180 9.100 0.080 17767 7958 1 12 . 1 1 61 61 SER N N 61 115.980 115.980 118.736 -2.756 17767 7959 1 12 . 1 1 61 61 SER HA H 61 5.430 5.430 5.508 -0.078 17767 7960 1 12 . 1 1 61 61 SER C C 61 173.300 173.300 173.464 -0.164 17767 7961 1 12 . 1 1 61 61 SER CA C 61 57.060 57.060 56.847 0.213 17767 7962 1 12 . 1 1 61 61 SER CB C 61 65.590 65.590 66.158 -0.568 17767 7963 1 12 . 1 1 61 61 SER H H 61 8.840 8.840 8.725 0.115 17767 7964 1 12 . 1 1 62 62 PHE N N 62 117.670 117.670 117.115 0.555 17767 7965 1 12 . 1 1 62 62 PHE HA H 62 5.020 5.020 4.876 0.144 17767 7966 1 12 . 1 1 62 62 PHE C C 62 173.100 173.100 173.053 0.047 17767 7967 1 12 . 1 1 62 62 PHE CA C 62 56.590 56.590 56.975 -0.385 17767 7968 1 12 . 1 1 62 62 PHE CB C 62 40.030 40.030 39.768 0.262 17767 7969 1 12 . 1 1 62 62 PHE H H 62 8.235 8.235 8.658 -0.423 17767 7970 1 12 . 1 1 63 63 THR N N 63 119.920 119.920 115.744 4.176 17767 7971 1 12 . 1 1 63 63 THR HA H 63 5.500 5.500 5.141 0.359 17767 7972 1 12 . 1 1 63 63 THR C C 63 175.600 175.600 174.345 1.255 17767 7973 1 12 . 1 1 63 63 THR CA C 63 61.170 61.170 61.476 -0.306 17767 7974 1 12 . 1 1 63 63 THR CB C 63 72.320 72.320 71.162 1.159 17767 7975 1 12 . 1 1 63 63 THR H H 63 9.650 9.650 8.854 0.796 17767 7976 1 12 . 1 1 64 64 LEU N N 64 126.300 126.300 126.756 -0.456 17767 7977 1 12 . 1 1 64 64 LEU HA H 64 4.430 4.430 3.917 0.513 17767 7978 1 12 . 1 1 64 64 LEU C C 64 178.000 178.000 178.379 -0.379 17767 7979 1 12 . 1 1 64 64 LEU CA C 64 56.100 56.100 56.179 -0.079 17767 7980 1 12 . 1 1 64 64 LEU CB C 64 41.330 41.330 40.355 0.975 17767 7981 1 12 . 1 1 64 64 LEU H H 64 9.280 9.280 8.969 0.311 17767 7982 1 12 . 1 1 65 65 GLY N N 65 107.520 107.520 112.350 -4.830 17767 7983 1 12 . 1 1 65 65 GLY C C 65 173.800 173.800 173.661 0.139 17767 7984 1 12 . 1 1 65 65 GLY CA C 65 45.780 45.780 44.847 0.933 17767 7985 1 12 . 1 1 65 65 GLY H H 65 9.110 9.110 9.106 0.004 17767 7986 1 12 . 1 1 66 66 LYS N N 66 121.600 121.600 119.266 2.334 17767 7987 1 12 . 1 1 66 66 LYS HA H 66 4.780 4.780 4.540 0.240 17767 7988 1 12 . 1 1 66 66 LYS C C 66 175.600 175.600 174.766 0.834 17767 7989 1 12 . 1 1 66 66 LYS CA C 66 54.100 54.100 54.472 -0.372 17767 7990 1 12 . 1 1 66 66 LYS CB C 66 34.620 34.620 36.756 -2.136 17767 7991 1 12 . 1 1 66 66 LYS H H 66 7.910 7.910 8.151 -0.241 17767 7992 1 12 . 1 1 67 67 GLU N N 67 129.400 129.400 122.668 6.732 17767 7993 1 12 . 1 1 67 67 GLU HA H 67 4.070 4.070 4.568 -0.498 17767 7994 1 12 . 1 1 67 67 GLU C C 67 175.030 175.030 175.427 -0.397 17767 7995 1 12 . 1 1 67 67 GLU CA C 67 59.220 59.220 55.984 3.236 17767 7996 1 12 . 1 1 67 67 GLU CB C 67 30.400 30.400 30.508 -0.108 17767 7997 1 12 . 1 1 67 67 GLU H H 67 8.940 8.940 8.615 0.325 17767 7998 1 12 . 1 1 68 68 ALA N N 68 130.940 130.940 129.954 0.986 17767 7999 1 12 . 1 1 68 68 ALA HA H 68 4.900 4.900 4.757 0.143 17767 8000 1 12 . 1 1 68 68 ALA C C 68 176.000 176.000 174.991 1.009 17767 8001 1 12 . 1 1 68 68 ALA CA C 68 51.000 51.000 50.946 0.054 17767 8002 1 12 . 1 1 68 68 ALA CB C 68 22.440 22.440 22.704 -0.264 17767 8003 1 12 . 1 1 68 68 ALA H H 68 8.660 8.660 8.816 -0.156 17767 8004 1 12 . 1 1 69 69 ASP N N 69 120.500 120.500 121.422 -0.922 17767 8005 1 12 . 1 1 69 69 ASP HA H 69 5.000 5.000 4.655 0.345 17767 8006 1 12 . 1 1 69 69 ASP C C 69 174.400 174.400 176.013 -1.613 17767 8007 1 12 . 1 1 69 69 ASP CA C 69 54.670 54.670 54.072 0.598 17767 8008 1 12 . 1 1 69 69 ASP CB C 69 41.930 41.930 41.109 0.821 17767 8009 1 12 . 1 1 69 69 ASP H H 69 8.330 8.330 8.551 -0.221 17767 8010 1 12 . 1 1 70 70 ILE N N 70 125.540 125.540 121.131 4.409 17767 8011 1 12 . 1 1 70 70 ILE HA H 70 4.510 4.510 4.664 -0.154 17767 8012 1 12 . 1 1 70 70 ILE C C 70 175.300 175.300 174.363 0.937 17767 8013 1 12 . 1 1 70 70 ILE CA C 70 57.690 57.690 59.370 -1.679 17767 8014 1 12 . 1 1 70 70 ILE CB C 70 40.040 40.040 41.775 -1.735 17767 8015 1 12 . 1 1 70 70 ILE H H 70 8.850 8.850 8.289 0.561 17767 8016 1 12 . 1 1 71 71 THR N N 71 123.860 123.860 117.358 6.502 17767 8017 1 12 . 1 1 71 71 THR HA H 71 5.240 5.240 4.822 0.418 17767 8018 1 12 . 1 1 71 71 THR C C 71 174.600 174.600 173.792 0.808 17767 8019 1 12 . 1 1 71 71 THR CA C 71 61.610 61.610 61.279 0.331 17767 8020 1 12 . 1 1 71 71 THR CB C 71 70.370 70.370 71.024 -0.654 17767 8021 1 12 . 1 1 71 71 THR H H 71 9.460 9.460 8.156 1.304 17767 8022 1 12 . 1 1 72 72 THR N N 72 115.980 115.980 119.238 -3.258 17767 8023 1 12 . 1 1 72 72 THR HA H 72 4.550 4.550 4.543 0.007 17767 8024 1 12 . 1 1 72 72 THR C C 72 177.300 177.300 176.668 0.632 17767 8025 1 12 . 1 1 72 72 THR CA C 72 60.550 60.550 60.580 -0.030 17767 8026 1 12 . 1 1 72 72 THR CB C 72 70.710 70.710 70.395 0.315 17767 8027 1 12 . 1 1 72 72 THR H H 72 8.700 8.700 8.188 0.512 17767 8028 1 12 . 1 1 73 73 MET N N 73 119.830 119.830 122.880 -3.050 17767 8029 1 12 . 1 1 73 73 MET HA H 73 4.110 4.110 4.430 -0.320 17767 8030 1 12 . 1 1 73 73 MET C C 73 176.200 176.200 176.224 -0.024 17767 8031 1 12 . 1 1 73 73 MET CA C 73 58.900 58.900 57.138 1.762 17767 8032 1 12 . 1 1 73 73 MET CB C 73 34.760 34.760 31.112 3.648 17767 8033 1 12 . 1 1 73 73 MET H H 73 10.360 10.360 8.454 1.906 17767 8034 1 12 . 1 1 74 74 ASP N N 74 112.220 112.220 119.921 -7.701 17767 8035 1 12 . 1 1 74 74 ASP HA H 74 4.800 4.800 4.527 0.273 17767 8036 1 12 . 1 1 74 74 ASP C C 74 175.600 175.600 177.237 -1.637 17767 8037 1 12 . 1 1 74 74 ASP CA C 74 52.630 52.630 54.292 -1.662 17767 8038 1 12 . 1 1 74 74 ASP CB C 74 38.870 38.870 41.498 -2.628 17767 8039 1 12 . 1 1 74 74 ASP H H 74 8.680 8.680 7.657 1.023 17767 8040 1 12 . 1 1 75 75 GLY N N 75 108.040 108.040 107.618 0.422 17767 8041 1 12 . 1 1 75 75 GLY C C 75 175.000 175.000 173.941 1.059 17767 8042 1 12 . 1 1 75 75 GLY CA C 75 46.400 46.400 44.948 1.452 17767 8043 1 12 . 1 1 75 75 GLY H H 75 7.600 7.600 7.692 -0.092 17767 8044 1 12 . 1 1 76 76 LYS N N 76 120.500 120.500 120.235 0.265 17767 8045 1 12 . 1 1 76 76 LYS HA H 76 4.440 4.440 4.505 -0.065 17767 8046 1 12 . 1 1 76 76 LYS C C 76 175.400 175.400 175.772 -0.372 17767 8047 1 12 . 1 1 76 76 LYS CA C 76 55.240 55.240 55.118 0.122 17767 8048 1 12 . 1 1 76 76 LYS CB C 76 33.500 33.500 34.318 -0.818 17767 8049 1 12 . 1 1 76 76 LYS H H 76 8.260 8.260 7.768 0.492 17767 8050 1 12 . 1 1 77 77 LYS N N 77 119.300 119.300 122.786 -3.486 17767 8051 1 12 . 1 1 77 77 LYS HA H 77 5.370 5.370 4.623 0.747 17767 8052 1 12 . 1 1 77 77 LYS C C 77 176.100 176.100 176.156 -0.056 17767 8053 1 12 . 1 1 77 77 LYS CA C 77 54.360 54.360 55.242 -0.882 17767 8054 1 12 . 1 1 77 77 LYS CB C 77 32.840 32.840 32.364 0.476 17767 8055 1 12 . 1 1 77 77 LYS H H 77 8.130 8.130 8.396 -0.266 17767 8056 1 12 . 1 1 78 78 LEU N N 78 123.860 123.860 125.856 -1.996 17767 8057 1 12 . 1 1 78 78 LEU HA H 78 4.910 4.910 4.810 0.100 17767 8058 1 12 . 1 1 78 78 LEU C C 78 175.600 175.600 175.487 0.113 17767 8059 1 12 . 1 1 78 78 LEU CA C 78 53.170 53.170 54.390 -1.220 17767 8060 1 12 . 1 1 78 78 LEU CB C 78 45.780 45.780 45.383 0.397 17767 8061 1 12 . 1 1 78 78 LEU H H 78 9.028 9.028 8.220 0.808 17767 8062 1 12 . 1 1 79 79 LYS N N 79 119.280 119.280 121.754 -2.474 17767 8063 1 12 . 1 1 79 79 LYS HA H 79 5.615 5.615 4.992 0.623 17767 8064 1 12 . 1 1 79 79 LYS C C 79 176.600 176.600 175.333 1.267 17767 8065 1 12 . 1 1 79 79 LYS CA C 79 55.000 55.000 55.278 -0.278 17767 8066 1 12 . 1 1 79 79 LYS CB C 79 36.850 36.850 33.835 3.015 17767 8067 1 12 . 1 1 79 79 LYS H H 79 8.240 8.240 8.317 -0.077 17767 8068 1 12 . 1 1 80 80 CYS N N 80 115.980 115.980 124.193 -8.213 17767 8069 1 12 . 1 1 80 80 CYS HA H 80 4.700 4.700 4.790 -0.090 17767 8070 1 12 . 1 1 80 80 CYS C C 80 173.500 173.500 173.654 -0.154 17767 8071 1 12 . 1 1 80 80 CYS CA C 80 56.500 56.500 57.405 -0.905 17767 8072 1 12 . 1 1 80 80 CYS CB C 80 45.700 45.700 30.319 15.381 17767 8073 1 12 . 1 1 80 80 CYS H H 80 8.306 8.306 8.507 -0.201 17767 8074 1 12 . 1 1 81 81 THR N N 81 122.000 122.000 125.274 -3.274 17767 8075 1 12 . 1 1 81 81 THR HA H 81 4.303 4.303 4.717 -0.414 17767 8076 1 12 . 1 1 81 81 THR C C 81 173.100 173.100 173.773 -0.673 17767 8077 1 12 . 1 1 81 81 THR CA C 81 62.460 62.460 61.365 1.095 17767 8078 1 12 . 1 1 81 81 THR CB C 81 68.200 68.200 68.281 -0.081 17767 8079 1 12 . 1 1 81 81 THR H H 81 8.840 8.840 8.764 0.076 17767 8080 1 12 . 1 1 82 82 VAL N N 82 132.160 132.160 125.149 7.011 17767 8081 1 12 . 1 1 82 82 VAL HA H 82 4.449 4.449 4.468 -0.019 17767 8082 1 12 . 1 1 82 82 VAL C C 82 175.100 175.100 175.669 -0.569 17767 8083 1 12 . 1 1 82 82 VAL CA C 82 61.760 61.760 61.861 -0.102 17767 8084 1 12 . 1 1 82 82 VAL CB C 82 31.200 31.200 31.276 -0.076 17767 8085 1 12 . 1 1 82 82 VAL H H 82 9.520 9.520 7.796 1.724 17767 8086 1 12 . 1 1 83 83 HIS N N 83 123.860 123.860 121.808 2.052 17767 8087 1 12 . 1 1 83 83 HIS HA H 83 5.009 5.009 4.939 0.070 17767 8088 1 12 . 1 1 83 83 HIS C C 83 173.500 173.500 172.941 0.559 17767 8089 1 12 . 1 1 83 83 HIS CA C 83 55.300 55.300 54.024 1.276 17767 8090 1 12 . 1 1 83 83 HIS CB C 83 33.400 33.400 32.931 0.469 17767 8091 1 12 . 1 1 83 83 HIS H H 83 8.740 8.740 8.625 0.115 17767 8092 1 12 . 1 1 84 84 LEU N N 84 121.600 121.600 124.230 -2.630 17767 8093 1 12 . 1 1 84 84 LEU HA H 84 5.420 5.420 5.117 0.303 17767 8094 1 12 . 1 1 84 84 LEU C C 84 176.500 176.500 175.371 1.129 17767 8095 1 12 . 1 1 84 84 LEU CA C 84 53.790 53.790 54.173 -0.383 17767 8096 1 12 . 1 1 84 84 LEU CB C 84 44.740 44.740 43.546 1.194 17767 8097 1 12 . 1 1 84 84 LEU H H 84 8.850 8.850 8.477 0.373 17767 8098 1 12 . 1 1 85 85 ALA N N 85 128.800 128.800 130.790 -1.990 17767 8099 1 12 . 1 1 85 85 ALA HA H 85 4.750 4.750 4.698 0.052 17767 8100 1 12 . 1 1 85 85 ALA C C 85 177.000 177.000 176.693 0.307 17767 8101 1 12 . 1 1 85 85 ALA CA C 85 51.480 51.480 51.222 0.258 17767 8102 1 12 . 1 1 85 85 ALA CB C 85 20.910 20.910 20.768 0.142 17767 8103 1 12 . 1 1 85 85 ALA H H 85 9.230 9.230 9.010 0.220 17767 8104 1 12 . 1 1 86 86 ASN HA H 86 4.430 4.430 4.420 0.010 17767 8105 1 12 . 1 1 86 86 ASN C C 86 175.400 175.400 175.329 0.071 17767 8106 1 12 . 1 1 86 86 ASN CA C 86 54.140 54.140 53.929 0.211 17767 8107 1 12 . 1 1 86 86 ASN CB C 86 37.550 37.550 37.038 0.511 17767 8108 1 12 . 1 1 87 87 GLY N N 87 103.430 103.430 103.561 -0.131 17767 8109 1 12 . 1 1 87 87 GLY C C 87 173.800 173.800 173.682 0.118 17767 8110 1 12 . 1 1 87 87 GLY CA C 87 45.670 45.670 45.262 0.408 17767 8111 1 12 . 1 1 87 87 GLY H H 87 8.620 8.620 8.381 0.239 17767 8112 1 12 . 1 1 88 88 LYS N N 88 120.490 120.490 119.734 0.756 17767 8113 1 12 . 1 1 88 88 LYS HA H 88 5.120 5.120 4.935 0.185 17767 8114 1 12 . 1 1 88 88 LYS C C 88 175.500 175.500 174.470 1.030 17767 8115 1 12 . 1 1 88 88 LYS CA C 88 55.140 55.140 54.852 0.287 17767 8116 1 12 . 1 1 88 88 LYS CB C 88 34.610 34.610 34.669 -0.059 17767 8117 1 12 . 1 1 88 88 LYS H H 88 7.880 7.880 7.702 0.178 17767 8118 1 12 . 1 1 89 89 LEU N N 89 124.420 124.420 125.389 -0.969 17767 8119 1 12 . 1 1 89 89 LEU HA H 89 4.730 4.730 4.483 0.247 17767 8120 1 12 . 1 1 89 89 LEU C C 89 176.700 176.700 174.781 1.919 17767 8121 1 12 . 1 1 89 89 LEU CA C 89 54.500 54.500 53.679 0.820 17767 8122 1 12 . 1 1 89 89 LEU CB C 89 44.150 44.150 43.075 1.075 17767 8123 1 12 . 1 1 89 89 LEU H H 89 8.780 8.780 8.121 0.659 17767 8124 1 12 . 1 1 90 90 VAL N N 90 122.500 122.500 124.243 -1.743 17767 8125 1 12 . 1 1 90 90 VAL HA H 90 5.420 5.420 4.249 1.171 17767 8126 1 12 . 1 1 90 90 VAL C C 90 175.200 175.200 174.093 1.107 17767 8127 1 12 . 1 1 90 90 VAL CA C 90 60.350 60.350 59.992 0.358 17767 8128 1 12 . 1 1 90 90 VAL CB C 90 35.930 35.930 32.343 3.587 17767 8129 1 12 . 1 1 90 90 VAL H H 90 9.050 9.050 8.727 0.323 17767 8130 1 12 . 1 1 91 91 CYS N N 91 123.100 123.100 128.775 -5.675 17767 8131 1 12 . 1 1 91 91 CYS HA H 91 5.370 5.370 4.820 0.550 17767 8132 1 12 . 1 1 91 91 CYS C C 91 172.700 172.700 173.201 -0.501 17767 8133 1 12 . 1 1 91 91 CYS CA C 91 55.230 55.230 57.534 -2.304 17767 8134 1 12 . 1 1 91 91 CYS CB C 91 42.970 42.970 27.487 15.483 17767 8135 1 12 . 1 1 91 91 CYS H H 91 8.820 8.820 8.285 0.535 17767 8136 1 12 . 1 1 92 92 LYS N N 92 128.900 128.900 128.430 0.470 17767 8137 1 12 . 1 1 92 92 LYS HA H 92 5.000 5.000 4.594 0.406 17767 8138 1 12 . 1 1 92 92 LYS C C 92 174.270 174.270 175.711 -1.441 17767 8139 1 12 . 1 1 92 92 LYS CA C 92 55.360 55.360 55.442 -0.082 17767 8140 1 12 . 1 1 92 92 LYS CB C 92 35.960 35.960 34.396 1.564 17767 8141 1 12 . 1 1 92 92 LYS H H 92 9.450 9.450 8.363 1.087 17767 8142 1 12 . 1 1 93 93 SER N N 93 119.300 119.300 121.638 -2.338 17767 8143 1 12 . 1 1 93 93 SER HA H 93 4.710 4.710 4.814 -0.104 17767 8144 1 12 . 1 1 93 93 SER C C 93 174.200 174.200 174.698 -0.498 17767 8145 1 12 . 1 1 93 93 SER CA C 93 55.430 55.430 56.858 -1.428 17767 8146 1 12 . 1 1 93 93 SER CB C 93 66.460 66.460 64.740 1.720 17767 8147 1 12 . 1 1 93 93 SER H H 93 8.620 8.620 8.625 -0.005 17767 8148 1 12 . 1 1 94 94 GLU N N 94 119.900 119.900 119.388 0.512 17767 8149 1 12 . 1 1 94 94 GLU HA H 94 4.090 4.090 4.414 -0.324 17767 8150 1 12 . 1 1 94 94 GLU C C 94 177.600 177.600 175.662 1.938 17767 8151 1 12 . 1 1 94 94 GLU CA C 94 59.440 59.440 56.872 2.568 17767 8152 1 12 . 1 1 94 94 GLU CB C 94 29.360 29.360 29.045 0.315 17767 8153 1 12 . 1 1 94 94 GLU H H 94 8.670 8.670 8.510 0.160 17767 8154 1 12 . 1 1 95 95 LYS N N 95 113.500 113.500 116.880 -3.380 17767 8155 1 12 . 1 1 95 95 LYS HA H 95 4.430 4.430 4.041 0.389 17767 8156 1 12 . 1 1 95 95 LYS C C 95 175.980 175.980 174.842 1.138 17767 8157 1 12 . 1 1 95 95 LYS CA C 95 56.180 56.180 56.388 -0.208 17767 8158 1 12 . 1 1 95 95 LYS CB C 95 35.220 35.220 32.617 2.603 17767 8159 1 12 . 1 1 95 95 LYS H H 95 8.300 8.300 7.775 0.525 17767 8160 1 12 . 1 1 96 96 PHE N N 96 113.270 113.270 117.279 -4.009 17767 8161 1 12 . 1 1 96 96 PHE HA H 96 5.860 5.860 4.780 1.080 17767 8162 1 12 . 1 1 96 96 PHE C C 96 173.900 173.900 174.434 -0.534 17767 8163 1 12 . 1 1 96 96 PHE CA C 96 55.890 55.890 55.428 0.462 17767 8164 1 12 . 1 1 96 96 PHE CB C 96 43.560 43.560 41.634 1.926 17767 8165 1 12 . 1 1 96 96 PHE H H 96 7.000 7.000 7.127 -0.127 17767 8166 1 12 . 1 1 97 97 SER N N 97 112.050 112.050 111.779 0.271 17767 8167 1 12 . 1 1 97 97 SER HA H 97 5.220 5.220 4.779 0.441 17767 8168 1 12 . 1 1 97 97 SER C C 97 172.560 172.560 172.755 -0.195 17767 8169 1 12 . 1 1 97 97 SER CA C 97 57.870 57.870 58.192 -0.322 17767 8170 1 12 . 1 1 97 97 SER CB C 97 65.990 65.990 65.716 0.274 17767 8171 1 12 . 1 1 97 97 SER H H 97 8.790 8.790 8.757 0.033 17767 8172 1 12 . 1 1 98 98 HIS N N 98 126.300 126.300 123.819 2.481 17767 8173 1 12 . 1 1 98 98 HIS HA H 98 5.190 5.190 5.187 0.003 17767 8174 1 12 . 1 1 98 98 HIS C C 98 174.500 174.500 173.799 0.701 17767 8175 1 12 . 1 1 98 98 HIS CA C 98 56.260 56.260 54.672 1.588 17767 8176 1 12 . 1 1 98 98 HIS CB C 98 36.270 36.270 32.982 3.288 17767 8177 1 12 . 1 1 98 98 HIS H H 98 9.190 9.190 8.828 0.362 17767 8178 1 12 . 1 1 99 99 GLU N N 99 126.670 126.670 128.059 -1.389 17767 8179 1 12 . 1 1 99 99 GLU HA H 99 5.390 5.390 4.769 0.621 17767 8180 1 12 . 1 1 99 99 GLU C C 99 175.400 175.400 174.749 0.651 17767 8181 1 12 . 1 1 99 99 GLU CA C 99 55.000 55.000 55.252 -0.252 17767 8182 1 12 . 1 1 99 99 GLU CB C 99 34.000 34.000 32.576 1.424 17767 8183 1 12 . 1 1 99 99 GLU H H 99 8.350 8.350 8.650 -0.300 17767 8184 1 12 . 1 1 101 101 GLU N N 101 125.500 125.500 126.810 -1.310 17767 8185 1 12 . 1 1 101 101 GLU HA H 101 5.160 5.160 4.773 0.387 17767 8186 1 12 . 1 1 101 101 GLU CA C 101 54.090 54.090 54.511 -0.421 17767 8187 1 12 . 1 1 101 101 GLU CB C 101 34.800 34.800 33.624 1.176 17767 8188 1 12 . 1 1 101 101 GLU H H 101 8.900 8.900 8.623 0.277 17767 8189 1 12 . 1 1 102 102 VAL N N 102 124.420 124.420 126.710 -2.290 17767 8190 1 12 . 1 1 102 102 VAL HA H 102 4.630 4.630 3.981 0.649 17767 8191 1 12 . 1 1 102 102 VAL C C 102 175.200 175.200 175.565 -0.365 17767 8192 1 12 . 1 1 102 102 VAL CA C 102 61.380 61.380 62.126 -0.746 17767 8193 1 12 . 1 1 102 102 VAL CB C 102 34.100 34.100 31.763 2.337 17767 8194 1 12 . 1 1 102 102 VAL H H 102 8.790 8.790 8.494 0.296 17767 8195 1 12 . 1 1 103 103 LYS N N 103 129.480 129.480 129.401 0.079 17767 8196 1 12 . 1 1 103 103 LYS HA H 103 4.570 4.570 4.532 0.038 17767 8197 1 12 . 1 1 103 103 LYS C C 103 176.500 176.500 176.959 -0.459 17767 8198 1 12 . 1 1 103 103 LYS CA C 103 55.340 55.340 54.919 0.422 17767 8199 1 12 . 1 1 103 103 LYS CB C 103 33.760 33.760 32.517 1.243 17767 8200 1 12 . 1 1 103 103 LYS H H 103 8.950 8.950 8.796 0.154 17767 8201 1 12 . 1 1 104 104 GLY N N 104 116.700 116.700 116.980 -0.280 17767 8202 1 12 . 1 1 104 104 GLY C C 104 174.500 174.500 174.979 -0.479 17767 8203 1 12 . 1 1 104 104 GLY CA C 104 47.680 47.680 46.894 0.786 17767 8204 1 12 . 1 1 104 104 GLY H H 104 9.140 9.140 8.693 0.447 17767 8205 1 12 . 1 1 105 105 ASN N N 105 125.540 125.540 124.562 0.978 17767 8206 1 12 . 1 1 105 105 ASN HA H 105 5.000 5.000 5.006 -0.006 17767 8207 1 12 . 1 1 105 105 ASN CA C 105 53.130 53.130 52.567 0.563 17767 8208 1 12 . 1 1 105 105 ASN CB C 105 39.060 39.060 39.944 -0.883 17767 8209 1 12 . 1 1 105 105 ASN H H 105 9.030 9.030 8.439 0.591 17767 8210 1 12 . 1 1 106 106 GLU N N 106 120.480 120.480 119.743 0.737 17767 8211 1 12 . 1 1 106 106 GLU HA H 106 5.550 5.550 5.150 0.400 17767 8212 1 12 . 1 1 106 106 GLU CA C 106 55.550 55.550 55.629 -0.079 17767 8213 1 12 . 1 1 106 106 GLU CB C 106 33.160 33.160 33.966 -0.806 17767 8214 1 12 . 1 1 106 106 GLU H H 106 8.100 8.100 7.898 0.202 17767 8215 1 12 . 1 1 107 107 MET N N 107 124.080 124.080 125.547 -1.467 17767 8216 1 12 . 1 1 107 107 MET HA H 107 5.120 5.120 5.206 -0.086 17767 8217 1 12 . 1 1 107 107 MET CA C 107 53.700 53.700 54.035 -0.334 17767 8218 1 12 . 1 1 107 107 MET CB C 107 36.800 36.800 35.032 1.768 17767 8219 1 12 . 1 1 107 107 MET H H 107 8.930 8.930 9.347 -0.417 17767 8220 1 12 . 1 1 108 108 VAL N N 108 126.820 126.820 128.477 -1.657 17767 8221 1 12 . 1 1 108 108 VAL HA H 108 5.250 5.250 4.459 0.791 17767 8222 1 12 . 1 1 108 108 VAL CA C 108 61.340 61.340 61.712 -0.372 17767 8223 1 12 . 1 1 108 108 VAL CB C 108 34.900 34.900 32.472 2.428 17767 8224 1 12 . 1 1 108 108 VAL H H 108 9.017 9.017 8.954 0.063 17767 8225 1 12 . 1 1 109 109 GLU N N 109 128.300 128.300 127.908 0.392 17767 8226 1 12 . 1 1 109 109 GLU HA H 109 5.040 5.040 5.149 -0.109 17767 8227 1 12 . 1 1 109 109 GLU C C 109 174.410 174.410 175.681 -1.271 17767 8228 1 12 . 1 1 109 109 GLU CA C 109 54.440 54.440 54.599 -0.159 17767 8229 1 12 . 1 1 109 109 GLU CB C 109 34.760 34.760 33.812 0.948 17767 8230 1 12 . 1 1 109 109 GLU H H 109 9.100 9.100 9.030 0.070 17767 8231 1 12 . 1 1 110 110 THR N N 110 120.760 120.760 117.037 3.723 17767 8232 1 12 . 1 1 110 110 THR HA H 110 4.850 4.850 4.896 -0.046 17767 8233 1 12 . 1 1 110 110 THR C C 110 174.900 174.900 172.908 1.992 17767 8234 1 12 . 1 1 110 110 THR CA C 110 61.980 61.980 62.363 -0.383 17767 8235 1 12 . 1 1 110 110 THR CB C 110 69.520 69.520 69.789 -0.269 17767 8236 1 12 . 1 1 110 110 THR H H 110 8.876 8.876 8.563 0.313 17767 8237 1 12 . 1 1 111 111 ILE N N 111 131.030 131.030 127.259 3.771 17767 8238 1 12 . 1 1 111 111 ILE HA H 111 5.240 5.240 4.682 0.558 17767 8239 1 12 . 1 1 111 111 ILE C C 111 174.600 174.600 174.289 0.311 17767 8240 1 12 . 1 1 111 111 ILE CA C 111 60.310 60.310 59.573 0.737 17767 8241 1 12 . 1 1 111 111 ILE CB C 111 41.220 41.220 39.863 1.357 17767 8242 1 12 . 1 1 111 111 ILE H H 111 9.490 9.490 9.014 0.476 17767 8243 1 12 . 1 1 112 112 THR N N 112 122.800 122.800 122.457 0.343 17767 8244 1 12 . 1 1 112 112 THR HA H 112 5.960 5.960 4.794 1.166 17767 8245 1 12 . 1 1 112 112 THR C C 112 174.370 174.370 173.541 0.829 17767 8246 1 12 . 1 1 112 112 THR CA C 112 61.180 61.180 61.792 -0.612 17767 8247 1 12 . 1 1 112 112 THR CB C 112 71.250 71.250 69.156 2.094 17767 8248 1 12 . 1 1 112 112 THR H H 112 9.490 9.490 8.189 1.301 17767 8249 1 12 . 1 1 113 113 PHE N N 113 124.980 124.980 125.272 -0.292 17767 8250 1 12 . 1 1 113 113 PHE HA H 113 4.820 4.820 4.199 0.621 17767 8251 1 12 . 1 1 113 113 PHE C C 113 175.700 175.700 175.853 -0.153 17767 8252 1 12 . 1 1 113 113 PHE CA C 113 58.800 58.800 57.763 1.037 17767 8253 1 12 . 1 1 113 113 PHE CB C 113 43.480 43.480 42.930 0.550 17767 8254 1 12 . 1 1 113 113 PHE H H 113 9.000 9.000 8.932 0.068 17767 8255 1 12 . 1 1 114 114 GLY N N 114 116.550 116.550 111.037 5.513 17767 8256 1 12 . 1 1 114 114 GLY C C 114 175.300 175.300 175.107 0.193 17767 8257 1 12 . 1 1 114 114 GLY CA C 114 46.840 46.840 45.711 1.129 17767 8258 1 12 . 1 1 114 114 GLY H H 114 8.410 8.410 8.865 -0.455 17767 8259 1 12 . 1 1 115 115 GLY N N 115 105.640 105.640 106.416 -0.776 17767 8260 1 12 . 1 1 115 115 GLY C C 115 174.200 174.200 173.910 0.290 17767 8261 1 12 . 1 1 115 115 GLY CA C 115 44.890 44.890 44.960 -0.070 17767 8262 1 12 . 1 1 115 115 GLY H H 115 8.560 8.560 8.170 0.390 17767 8263 1 12 . 1 1 116 116 VAL N N 116 123.600 123.600 121.360 2.240 17767 8264 1 12 . 1 1 116 116 VAL HA H 116 4.310 4.310 4.284 0.026 17767 8265 1 12 . 1 1 116 116 VAL C C 116 174.640 174.640 174.850 -0.210 17767 8266 1 12 . 1 1 116 116 VAL CA C 116 62.250 62.250 60.989 1.261 17767 8267 1 12 . 1 1 116 116 VAL CB C 116 34.170 34.170 34.028 0.142 17767 8268 1 12 . 1 1 116 116 VAL H H 116 8.164 8.164 7.836 0.328 17767 8269 1 12 . 1 1 117 117 THR N N 117 123.270 123.270 122.840 0.430 17767 8270 1 12 . 1 1 117 117 THR HA H 117 5.250 5.250 4.292 0.958 17767 8271 1 12 . 1 1 117 117 THR C C 117 173.800 173.800 174.002 -0.202 17767 8272 1 12 . 1 1 117 117 THR CA C 117 61.900 61.900 61.008 0.892 17767 8273 1 12 . 1 1 117 117 THR CB C 117 70.450 70.450 67.655 2.795 17767 8274 1 12 . 1 1 117 117 THR H H 117 8.770 8.770 8.594 0.176 17767 8275 1 12 . 1 1 118 118 LEU N N 118 132.800 132.800 129.301 3.499 17767 8276 1 12 . 1 1 118 118 LEU HA H 118 4.880 4.880 4.675 0.205 17767 8277 1 12 . 1 1 118 118 LEU C C 118 175.200 175.200 174.820 0.380 17767 8278 1 12 . 1 1 118 118 LEU CA C 118 53.570 53.570 54.872 -1.302 17767 8279 1 12 . 1 1 118 118 LEU CB C 118 44.730 44.730 41.739 2.991 17767 8280 1 12 . 1 1 118 118 LEU H H 118 9.700 9.700 7.599 2.101 17767 8281 1 12 . 1 1 119 119 ILE N N 119 124.980 124.980 128.576 -3.596 17767 8282 1 12 . 1 1 119 119 ILE HA H 119 5.240 5.240 4.431 0.809 17767 8283 1 12 . 1 1 119 119 ILE C C 119 175.900 175.900 174.602 1.298 17767 8284 1 12 . 1 1 119 119 ILE CA C 119 59.340 59.340 60.658 -1.318 17767 8285 1 12 . 1 1 119 119 ILE CB C 119 39.550 39.550 38.385 1.165 17767 8286 1 12 . 1 1 119 119 ILE H H 119 7.800 7.800 7.810 -0.010 17767 8287 1 12 . 1 1 120 120 ARG N N 120 126.110 126.110 123.568 2.542 17767 8288 1 12 . 1 1 120 120 ARG HA H 120 5.040 5.040 4.749 0.291 17767 8289 1 12 . 1 1 120 120 ARG C C 120 175.300 175.300 174.205 1.095 17767 8290 1 12 . 1 1 120 120 ARG CA C 120 54.990 54.990 53.693 1.297 17767 8291 1 12 . 1 1 120 120 ARG CB C 120 34.760 34.760 33.471 1.289 17767 8292 1 12 . 1 1 120 120 ARG H H 120 9.400 9.400 8.479 0.921 17767 8293 1 12 . 1 1 121 121 ARG N N 121 126.600 126.600 119.549 7.051 17767 8294 1 12 . 1 1 121 121 ARG HA H 121 5.350 5.350 4.858 0.492 17767 8295 1 12 . 1 1 121 121 ARG C C 121 175.020 175.020 174.661 0.359 17767 8296 1 12 . 1 1 121 121 ARG CA C 121 55.250 55.250 55.122 0.128 17767 8297 1 12 . 1 1 121 121 ARG CB C 121 31.830 31.830 33.222 -1.392 17767 8298 1 12 . 1 1 121 121 ARG H H 121 9.110 9.110 8.053 1.057 17767 8299 1 12 . 1 1 122 122 SER N N 122 118.200 118.200 121.041 -2.841 17767 8300 1 12 . 1 1 122 122 SER HA H 122 5.730 5.730 5.433 0.297 17767 8301 1 12 . 1 1 122 122 SER C C 122 173.010 173.010 173.689 -0.679 17767 8302 1 12 . 1 1 122 122 SER CA C 122 58.100 58.100 57.530 0.570 17767 8303 1 12 . 1 1 122 122 SER CB C 122 66.850 66.850 64.445 2.405 17767 8304 1 12 . 1 1 122 122 SER H H 122 9.290 9.290 9.380 -0.090 17767 8305 1 12 . 1 1 123 123 LYS N N 123 120.480 120.480 126.036 -5.556 17767 8306 1 12 . 1 1 123 123 LYS HA H 123 5.780 5.780 5.091 0.689 17767 8307 1 12 . 1 1 123 123 LYS C C 123 175.600 175.600 176.258 -0.658 17767 8308 1 12 . 1 1 123 123 LYS CA C 123 54.130 54.130 55.517 -1.387 17767 8309 1 12 . 1 1 123 123 LYS CB C 123 36.330 36.330 34.059 2.271 17767 8310 1 12 . 1 1 123 123 LYS H H 123 8.650 8.650 9.148 -0.498 17767 8311 1 12 . 1 1 124 124 ARG N N 124 124.980 124.980 124.131 0.849 17767 8312 1 12 . 1 1 124 124 ARG HA H 124 3.940 3.940 4.605 -0.665 17767 8313 1 12 . 1 1 124 124 ARG C C 124 176.500 176.500 175.931 0.569 17767 8314 1 12 . 1 1 124 124 ARG CA C 124 56.900 56.900 56.288 0.612 17767 8315 1 12 . 1 1 124 124 ARG CB C 124 30.380 30.380 31.253 -0.873 17767 8316 1 12 . 1 1 124 124 ARG H H 124 8.200 8.200 8.910 -0.710 17767 8317 1 13 . 1 1 2 2 PHE HA H 2 4.460 4.460 4.815 -0.355 17767 8318 1 13 . 1 1 2 2 PHE C C 2 175.900 175.900 176.507 -0.607 17767 8319 1 13 . 1 1 2 2 PHE CA C 2 61.170 61.170 57.833 3.337 17767 8320 1 13 . 1 1 2 2 PHE CB C 2 40.690 40.690 39.749 0.941 17767 8321 1 13 . 1 1 3 3 SER N N 3 111.380 111.380 115.541 -4.161 17767 8322 1 13 . 1 1 3 3 SER HA H 3 4.420 4.420 4.359 0.061 17767 8323 1 13 . 1 1 3 3 SER C C 3 174.700 174.700 175.336 -0.636 17767 8324 1 13 . 1 1 3 3 SER CA C 3 60.000 60.000 60.215 -0.215 17767 8325 1 13 . 1 1 3 3 SER CB C 3 64.140 64.140 63.091 1.049 17767 8326 1 13 . 1 1 3 3 SER H H 3 7.968 7.968 8.169 -0.201 17767 8327 1 13 . 1 1 4 4 GLY N N 4 111.480 111.480 113.085 -1.605 17767 8328 1 13 . 1 1 4 4 GLY C C 4 171.800 171.800 171.223 0.577 17767 8329 1 13 . 1 1 4 4 GLY CA C 4 44.150 44.150 45.420 -1.270 17767 8330 1 13 . 1 1 4 4 GLY H H 4 9.080 9.080 8.645 0.435 17767 8331 1 13 . 1 1 5 5 THR N N 5 117.770 117.770 113.418 4.352 17767 8332 1 13 . 1 1 5 5 THR HA H 5 4.980 4.980 5.119 -0.139 17767 8333 1 13 . 1 1 5 5 THR C C 5 173.190 173.190 172.884 0.306 17767 8334 1 13 . 1 1 5 5 THR CA C 5 62.930 62.930 60.837 2.093 17767 8335 1 13 . 1 1 5 5 THR CB C 5 69.310 69.310 70.360 -1.050 17767 8336 1 13 . 1 1 5 5 THR H H 5 8.270 8.270 7.698 0.572 17767 8337 1 13 . 1 1 6 6 TRP N N 6 127.500 127.500 126.457 1.043 17767 8338 1 13 . 1 1 6 6 TRP HA H 6 5.130 5.130 5.228 -0.098 17767 8339 1 13 . 1 1 6 6 TRP CA C 6 55.300 55.300 55.686 -0.386 17767 8340 1 13 . 1 1 6 6 TRP CB C 6 32.290 32.290 31.485 0.805 17767 8341 1 13 . 1 1 6 6 TRP H H 6 9.560 9.560 8.907 0.653 17767 8342 1 13 . 1 1 7 7 GLN HA H 7 4.970 4.970 4.746 0.224 17767 8343 1 13 . 1 1 7 7 GLN C C 7 175.900 175.900 174.854 1.046 17767 8344 1 13 . 1 1 7 7 GLN CA C 7 54.720 54.720 54.962 -0.242 17767 8345 1 13 . 1 1 7 7 GLN CB C 7 32.400 32.400 30.791 1.609 17767 8346 1 13 . 1 1 8 8 VAL N N 8 131.400 131.400 128.497 2.903 17767 8347 1 13 . 1 1 8 8 VAL HA H 8 4.450 4.450 4.792 -0.342 17767 8348 1 13 . 1 1 8 8 VAL CA C 8 63.500 63.500 62.453 1.047 17767 8349 1 13 . 1 1 8 8 VAL CB C 8 32.300 32.300 32.418 -0.118 17767 8350 1 13 . 1 1 8 8 VAL H H 8 8.270 8.270 8.347 -0.077 17767 8351 1 13 . 1 1 9 9 TYR N N 9 123.300 123.300 121.381 1.919 17767 8352 1 13 . 1 1 9 9 TYR HA H 9 5.140 5.140 4.994 0.146 17767 8353 1 13 . 1 1 9 9 TYR C C 9 174.600 174.600 173.111 1.489 17767 8354 1 13 . 1 1 9 9 TYR CA C 9 56.600 56.600 55.538 1.062 17767 8355 1 13 . 1 1 9 9 TYR CB C 9 40.880 40.880 40.232 0.648 17767 8356 1 13 . 1 1 9 9 TYR H H 9 9.570 9.570 9.016 0.554 17767 8357 1 13 . 1 1 10 10 ALA N N 10 125.800 125.800 126.252 -0.452 17767 8358 1 13 . 1 1 10 10 ALA HA H 10 4.680 4.680 4.451 0.229 17767 8359 1 13 . 1 1 10 10 ALA C C 10 175.200 175.200 175.252 -0.052 17767 8360 1 13 . 1 1 10 10 ALA CA C 10 51.780 51.780 52.195 -0.415 17767 8361 1 13 . 1 1 10 10 ALA CB C 10 22.070 22.070 21.830 0.240 17767 8362 1 13 . 1 1 10 10 ALA H H 10 7.330 7.330 8.275 -0.945 17767 8363 1 13 . 1 1 11 11 GLN N N 11 118.300 118.300 119.064 -0.764 17767 8364 1 13 . 1 1 11 11 GLN HA H 11 5.370 5.370 4.536 0.834 17767 8365 1 13 . 1 1 11 11 GLN C C 11 174.700 174.700 175.580 -0.880 17767 8366 1 13 . 1 1 11 11 GLN CA C 11 54.460 54.460 55.079 -0.619 17767 8367 1 13 . 1 1 11 11 GLN CB C 11 32.870 32.870 28.932 3.938 17767 8368 1 13 . 1 1 11 11 GLN H H 11 8.700 8.700 8.487 0.213 17767 8369 1 13 . 1 1 12 12 GLU N N 12 123.800 123.800 122.222 1.578 17767 8370 1 13 . 1 1 12 12 GLU HA H 12 4.600 4.600 4.481 0.119 17767 8371 1 13 . 1 1 12 12 GLU C C 12 175.700 175.700 177.665 -1.965 17767 8372 1 13 . 1 1 12 12 GLU CA C 12 55.300 55.300 56.302 -1.002 17767 8373 1 13 . 1 1 12 12 GLU CB C 12 31.760 31.760 30.209 1.551 17767 8374 1 13 . 1 1 12 12 GLU H H 12 9.130 9.130 8.647 0.483 17767 8375 1 13 . 1 1 13 13 ASN N N 13 117.550 117.550 118.518 -0.968 17767 8376 1 13 . 1 1 13 13 ASN HA H 13 4.790 4.790 4.759 0.031 17767 8377 1 13 . 1 1 13 13 ASN C C 13 175.600 175.600 175.168 0.432 17767 8378 1 13 . 1 1 13 13 ASN CA C 13 54.100 54.100 52.512 1.588 17767 8379 1 13 . 1 1 13 13 ASN CB C 13 37.100 37.100 36.675 0.425 17767 8380 1 13 . 1 1 13 13 ASN H H 13 9.130 9.130 8.849 0.281 17767 8381 1 13 . 1 1 14 14 TYR N N 14 118.280 118.280 123.204 -4.924 17767 8382 1 13 . 1 1 14 14 TYR HA H 14 4.360 4.360 4.119 0.241 17767 8383 1 13 . 1 1 14 14 TYR C C 14 176.500 176.500 176.733 -0.233 17767 8384 1 13 . 1 1 14 14 TYR CA C 14 60.590 60.590 62.775 -2.185 17767 8385 1 13 . 1 1 14 14 TYR CB C 14 39.450 39.450 39.116 0.334 17767 8386 1 13 . 1 1 14 14 TYR H H 14 7.900 7.900 7.958 -0.058 17767 8387 1 13 . 1 1 15 15 GLU N N 15 118.600 118.600 118.509 0.091 17767 8388 1 13 . 1 1 15 15 GLU HA H 15 3.550 3.550 4.034 -0.484 17767 8389 1 13 . 1 1 15 15 GLU C C 15 178.500 178.500 178.248 0.252 17767 8390 1 13 . 1 1 15 15 GLU CA C 15 61.170 61.170 59.391 1.780 17767 8391 1 13 . 1 1 15 15 GLU CB C 15 28.700 28.700 29.052 -0.352 17767 8392 1 13 . 1 1 15 15 GLU H H 15 8.960 8.960 9.075 -0.115 17767 8393 1 13 . 1 1 16 16 GLU N N 16 118.800 118.800 120.171 -1.371 17767 8394 1 13 . 1 1 16 16 GLU HA H 16 3.880 3.880 4.080 -0.200 17767 8395 1 13 . 1 1 16 16 GLU C C 16 178.600 178.600 178.560 0.040 17767 8396 1 13 . 1 1 16 16 GLU CA C 16 60.300 60.300 59.085 1.215 17767 8397 1 13 . 1 1 16 16 GLU CB C 16 28.600 28.600 29.456 -0.856 17767 8398 1 13 . 1 1 16 16 GLU H H 16 9.090 9.090 8.355 0.735 17767 8399 1 13 . 1 1 17 17 PHE N N 17 124.200 124.200 119.667 4.533 17767 8400 1 13 . 1 1 17 17 PHE HA H 17 3.960 3.960 4.300 -0.340 17767 8401 1 13 . 1 1 17 17 PHE C C 17 176.400 176.400 177.515 -1.115 17767 8402 1 13 . 1 1 17 17 PHE CA C 17 62.350 62.350 59.522 2.828 17767 8403 1 13 . 1 1 17 17 PHE CB C 17 40.380 40.380 39.042 1.338 17767 8404 1 13 . 1 1 17 17 PHE H H 17 8.410 8.410 7.865 0.545 17767 8405 1 13 . 1 1 18 18 LEU N N 18 116.400 116.400 119.949 -3.549 17767 8406 1 13 . 1 1 18 18 LEU HA H 18 3.780 3.780 3.424 0.356 17767 8407 1 13 . 1 1 18 18 LEU C C 18 178.800 178.800 178.218 0.582 17767 8408 1 13 . 1 1 18 18 LEU CA C 18 58.240 58.240 57.816 0.424 17767 8409 1 13 . 1 1 18 18 LEU CB C 18 41.220 41.220 41.095 0.125 17767 8410 1 13 . 1 1 18 18 LEU H H 18 8.200 8.200 7.502 0.698 17767 8411 1 13 . 1 1 19 19 LYS N N 19 116.590 116.590 116.245 0.345 17767 8412 1 13 . 1 1 19 19 LYS HA H 19 4.040 4.040 4.119 -0.079 17767 8413 1 13 . 1 1 19 19 LYS C C 19 179.800 179.800 178.916 0.884 17767 8414 1 13 . 1 1 19 19 LYS CA C 19 58.820 58.820 58.570 0.250 17767 8415 1 13 . 1 1 19 19 LYS CB C 19 32.150 32.150 31.906 0.244 17767 8416 1 13 . 1 1 19 19 LYS H H 19 7.790 7.790 7.587 0.203 17767 8417 1 13 . 1 1 20 20 ALA N N 20 126.110 126.110 121.035 5.075 17767 8418 1 13 . 1 1 20 20 ALA HA H 20 4.160 4.160 4.267 -0.107 17767 8419 1 13 . 1 1 20 20 ALA C C 20 178.600 178.600 177.884 0.716 17767 8420 1 13 . 1 1 20 20 ALA CA C 20 55.300 55.300 53.533 1.767 17767 8421 1 13 . 1 1 20 20 ALA CB C 20 17.700 17.700 18.657 -0.957 17767 8422 1 13 . 1 1 20 20 ALA H H 20 7.990 7.990 7.512 0.478 17767 8423 1 13 . 1 1 21 21 LEU N N 21 117.110 117.110 117.047 0.063 17767 8424 1 13 . 1 1 21 21 LEU HA H 21 3.688 3.688 4.298 -0.610 17767 8425 1 13 . 1 1 21 21 LEU C C 21 176.100 176.100 176.099 0.001 17767 8426 1 13 . 1 1 21 21 LEU CA C 21 55.400 55.400 53.832 1.568 17767 8427 1 13 . 1 1 21 21 LEU CB C 21 42.700 42.700 41.725 0.975 17767 8428 1 13 . 1 1 21 21 LEU H H 21 7.380 7.380 7.073 0.307 17767 8429 1 13 . 1 1 22 22 ALA N N 22 118.800 118.800 119.115 -0.315 17767 8430 1 13 . 1 1 22 22 ALA HA H 22 3.985 3.985 3.955 0.030 17767 8431 1 13 . 1 1 22 22 ALA C C 22 177.000 177.000 176.941 0.059 17767 8432 1 13 . 1 1 22 22 ALA CA C 22 52.370 52.370 52.836 -0.466 17767 8433 1 13 . 1 1 22 22 ALA CB C 22 15.960 15.960 16.721 -0.761 17767 8434 1 13 . 1 1 22 22 ALA H H 22 7.920 7.920 7.272 0.648 17767 8435 1 13 . 1 1 23 23 LEU N N 23 118.470 118.470 119.155 -0.685 17767 8436 1 13 . 1 1 23 23 LEU HA H 23 4.425 4.425 4.486 -0.061 17767 8437 1 13 . 1 1 23 23 LEU C C 23 174.500 174.500 175.138 -0.638 17767 8438 1 13 . 1 1 23 23 LEU CA C 23 54.130 54.130 52.191 1.939 17767 8439 1 13 . 1 1 23 23 LEU CB C 23 41.220 41.220 42.417 -1.197 17767 8440 1 13 . 1 1 23 23 LEU H H 23 6.950 6.950 7.366 -0.416 17767 8441 1 13 . 1 1 24 24 PRO HA H 24 4.475 4.475 4.535 -0.060 17767 8442 1 13 . 1 1 24 24 PRO C C 24 177.500 177.500 177.388 0.112 17767 8443 1 13 . 1 1 24 24 PRO CA C 24 62.940 62.940 62.322 0.618 17767 8444 1 13 . 1 1 24 24 PRO CB C 24 32.600 32.600 32.434 0.166 17767 8445 1 13 . 1 1 25 25 GLU N N 25 122.500 122.500 123.521 -1.021 17767 8446 1 13 . 1 1 25 25 GLU HA H 25 3.860 3.860 3.824 0.036 17767 8447 1 13 . 1 1 25 25 GLU C C 25 177.900 177.900 178.212 -0.312 17767 8448 1 13 . 1 1 25 25 GLU CA C 25 60.100 60.100 60.923 -0.823 17767 8449 1 13 . 1 1 25 25 GLU CB C 25 29.690 29.690 29.181 0.509 17767 8450 1 13 . 1 1 25 25 GLU H H 25 8.840 8.840 8.916 -0.076 17767 8451 1 13 . 1 1 26 26 ASP N N 26 117.110 117.110 118.873 -1.763 17767 8452 1 13 . 1 1 26 26 ASP HA H 26 4.360 4.360 4.405 -0.045 17767 8453 1 13 . 1 1 26 26 ASP C C 26 177.900 177.900 178.776 -0.876 17767 8454 1 13 . 1 1 26 26 ASP CA C 26 57.080 57.080 57.129 -0.049 17767 8455 1 13 . 1 1 26 26 ASP CB C 26 40.040 40.040 40.572 -0.531 17767 8456 1 13 . 1 1 26 26 ASP H H 26 8.920 8.920 8.534 0.386 17767 8457 1 13 . 1 1 27 27 LEU N N 27 121.990 121.990 120.806 1.184 17767 8458 1 13 . 1 1 27 27 LEU HA H 27 4.270 4.270 4.171 0.099 17767 8459 1 13 . 1 1 27 27 LEU C C 27 178.070 178.070 178.474 -0.404 17767 8460 1 13 . 1 1 27 27 LEU CA C 27 57.650 57.650 57.271 0.379 17767 8461 1 13 . 1 1 27 27 LEU CB C 27 42.230 42.230 42.465 -0.235 17767 8462 1 13 . 1 1 27 27 LEU H H 27 7.220 7.220 7.456 -0.236 17767 8463 1 13 . 1 1 28 28 ILE N N 28 120.350 120.350 120.829 -0.479 17767 8464 1 13 . 1 1 28 28 ILE HA H 28 3.317 3.317 3.527 -0.210 17767 8465 1 13 . 1 1 28 28 ILE C C 28 177.400 177.400 178.226 -0.826 17767 8466 1 13 . 1 1 28 28 ILE CA C 28 67.040 67.040 65.590 1.450 17767 8467 1 13 . 1 1 28 28 ILE CB C 28 37.110 37.110 37.521 -0.411 17767 8468 1 13 . 1 1 28 28 ILE H H 28 7.900 7.900 8.139 -0.239 17767 8469 1 13 . 1 1 29 29 LYS N N 29 117.110 117.110 118.254 -1.144 17767 8470 1 13 . 1 1 29 29 LYS HA H 29 3.947 3.947 4.142 -0.195 17767 8471 1 13 . 1 1 29 29 LYS C C 29 178.900 178.900 178.709 0.191 17767 8472 1 13 . 1 1 29 29 LYS CA C 29 60.000 60.000 58.762 1.238 17767 8473 1 13 . 1 1 29 29 LYS CB C 29 32.390 32.390 31.917 0.473 17767 8474 1 13 . 1 1 29 29 LYS H H 29 7.850 7.850 8.122 -0.272 17767 8475 1 13 . 1 1 30 30 MET N N 30 117.110 117.110 117.963 -0.853 17767 8476 1 13 . 1 1 30 30 MET HA H 30 4.320 4.320 4.372 -0.052 17767 8477 1 13 . 1 1 30 30 MET C C 30 177.500 177.500 178.527 -1.027 17767 8478 1 13 . 1 1 30 30 MET CA C 30 57.650 57.650 58.521 -0.871 17767 8479 1 13 . 1 1 30 30 MET CB C 30 32.970 32.970 32.851 0.119 17767 8480 1 13 . 1 1 30 30 MET H H 30 7.450 7.450 7.398 0.052 17767 8481 1 13 . 1 1 31 31 ALA N N 31 120.480 120.480 122.109 -1.629 17767 8482 1 13 . 1 1 31 31 ALA HA H 31 4.270 4.270 4.145 0.125 17767 8483 1 13 . 1 1 31 31 ALA CA C 31 53.545 53.545 54.964 -1.419 17767 8484 1 13 . 1 1 31 31 ALA CB C 31 19.290 19.290 18.445 0.845 17767 8485 1 13 . 1 1 31 31 ALA H H 31 8.420 8.420 8.931 -0.511 17767 8486 1 13 . 1 1 32 32 ARG N N 32 122.170 122.170 116.446 5.724 17767 8487 1 13 . 1 1 32 32 ARG HA H 32 4.109 4.109 3.854 0.255 17767 8488 1 13 . 1 1 32 32 ARG C C 32 176.500 176.500 176.501 -0.001 17767 8489 1 13 . 1 1 32 32 ARG CA C 32 61.170 61.170 58.424 2.746 17767 8490 1 13 . 1 1 32 32 ARG CB C 32 30.600 30.600 29.847 0.753 17767 8491 1 13 . 1 1 32 32 ARG H H 32 7.770 7.770 7.697 0.073 17767 8492 1 13 . 1 1 33 33 ASP N N 33 116.550 116.550 117.856 -1.306 17767 8493 1 13 . 1 1 33 33 ASP HA H 33 4.920 4.920 4.684 0.236 17767 8494 1 13 . 1 1 33 33 ASP C C 33 175.900 175.900 175.521 0.379 17767 8495 1 13 . 1 1 33 33 ASP CA C 33 54.130 54.130 54.077 0.053 17767 8496 1 13 . 1 1 33 33 ASP CB C 33 41.760 41.760 42.422 -0.662 17767 8497 1 13 . 1 1 33 33 ASP H H 33 8.330 8.330 7.623 0.707 17767 8498 1 13 . 1 1 34 34 ILE N N 34 120.060 120.060 120.581 -0.521 17767 8499 1 13 . 1 1 34 34 ILE HA H 34 4.120 4.120 4.119 0.001 17767 8500 1 13 . 1 1 34 34 ILE C C 34 176.100 176.100 175.051 1.049 17767 8501 1 13 . 1 1 34 34 ILE CA C 34 61.170 61.170 61.512 -0.342 17767 8502 1 13 . 1 1 34 34 ILE CB C 34 37.860 37.860 38.821 -0.961 17767 8503 1 13 . 1 1 34 34 ILE H H 34 7.240 7.240 7.225 0.015 17767 8504 1 13 . 1 1 35 35 LYS N N 35 131.170 131.170 127.698 3.472 17767 8505 1 13 . 1 1 35 35 LYS HA H 35 4.700 4.700 4.786 -0.086 17767 8506 1 13 . 1 1 35 35 LYS C C 35 173.700 173.700 174.256 -0.556 17767 8507 1 13 . 1 1 35 35 LYS CA C 35 52.970 52.970 53.849 -0.879 17767 8508 1 13 . 1 1 35 35 LYS CB C 35 32.750 32.750 32.378 0.372 17767 8509 1 13 . 1 1 35 35 LYS H H 35 8.980 8.980 8.447 0.533 17767 8510 1 13 . 1 1 36 36 PRO HA H 36 4.510 4.510 4.448 0.062 17767 8511 1 13 . 1 1 36 36 PRO CA C 36 63.523 63.523 62.648 0.875 17767 8512 1 13 . 1 1 36 36 PRO CB C 36 32.840 32.840 32.465 0.375 17767 8513 1 13 . 1 1 37 37 ILE HA H 37 4.920 4.920 4.389 0.531 17767 8514 1 13 . 1 1 37 37 ILE C C 37 175.500 175.500 175.253 0.247 17767 8515 1 13 . 1 1 37 37 ILE CA C 37 60.588 60.588 59.627 0.961 17767 8516 1 13 . 1 1 37 37 ILE CB C 37 40.630 40.630 39.649 0.981 17767 8517 1 13 . 1 1 38 38 VAL N N 38 129.000 129.000 129.618 -0.618 17767 8518 1 13 . 1 1 38 38 VAL HA H 38 5.120 5.120 4.302 0.818 17767 8519 1 13 . 1 1 38 38 VAL C C 38 175.100 175.100 175.162 -0.062 17767 8520 1 13 . 1 1 38 38 VAL CA C 38 61.176 61.176 61.119 0.057 17767 8521 1 13 . 1 1 38 38 VAL CB C 38 34.850 34.850 31.473 3.377 17767 8522 1 13 . 1 1 38 38 VAL H H 38 9.540 9.540 9.212 0.328 17767 8523 1 13 . 1 1 39 39 GLU N N 39 128.350 128.350 128.973 -0.623 17767 8524 1 13 . 1 1 39 39 GLU HA H 39 5.440 5.440 4.753 0.687 17767 8525 1 13 . 1 1 39 39 GLU C C 39 176.000 176.000 174.785 1.215 17767 8526 1 13 . 1 1 39 39 GLU CA C 39 54.720 54.720 56.307 -1.587 17767 8527 1 13 . 1 1 39 39 GLU CB C 39 32.410 32.410 31.703 0.707 17767 8528 1 13 . 1 1 39 39 GLU H H 39 9.590 9.590 8.243 1.347 17767 8529 1 13 . 1 1 40 40 ILE N N 40 126.110 126.110 125.107 1.003 17767 8530 1 13 . 1 1 40 40 ILE HA H 40 5.050 5.050 5.109 -0.059 17767 8531 1 13 . 1 1 40 40 ILE C C 40 175.800 175.800 173.119 2.681 17767 8532 1 13 . 1 1 40 40 ILE CA C 40 61.330 61.330 59.003 2.327 17767 8533 1 13 . 1 1 40 40 ILE CB C 40 40.160 40.160 42.389 -2.228 17767 8534 1 13 . 1 1 40 40 ILE H H 40 9.630 9.630 8.655 0.975 17767 8535 1 13 . 1 1 41 41 GLN N N 41 128.360 128.360 127.003 1.357 17767 8536 1 13 . 1 1 41 41 GLN HA H 41 4.720 4.720 5.188 -0.468 17767 8537 1 13 . 1 1 41 41 GLN C C 41 173.900 173.900 174.406 -0.506 17767 8538 1 13 . 1 1 41 41 GLN CA C 41 54.940 54.940 53.593 1.347 17767 8539 1 13 . 1 1 41 41 GLN CB C 41 31.820 31.820 32.134 -0.314 17767 8540 1 13 . 1 1 41 41 GLN H H 41 9.270 9.270 8.757 0.513 17767 8541 1 13 . 1 1 42 42 GLN N N 42 126.110 126.110 123.665 2.445 17767 8542 1 13 . 1 1 42 42 GLN HA H 42 4.380 4.380 4.428 -0.048 17767 8543 1 13 . 1 1 42 42 GLN C C 42 174.700 174.700 175.611 -0.911 17767 8544 1 13 . 1 1 42 42 GLN CA C 42 54.150 54.150 53.708 0.442 17767 8545 1 13 . 1 1 42 42 GLN CB C 42 30.000 30.000 30.627 -0.627 17767 8546 1 13 . 1 1 42 42 GLN H H 42 8.250 8.250 8.896 -0.646 17767 8547 1 13 . 1 1 43 43 LYS N N 43 130.610 130.610 119.037 11.573 17767 8548 1 13 . 1 1 43 43 LYS HA H 43 4.460 4.460 4.369 0.091 17767 8549 1 13 . 1 1 43 43 LYS C C 43 176.030 176.030 175.533 0.497 17767 8550 1 13 . 1 1 43 43 LYS CA C 43 55.306 55.306 55.590 -0.284 17767 8551 1 13 . 1 1 43 43 LYS CB C 43 33.270 33.270 33.229 0.041 17767 8552 1 13 . 1 1 43 43 LYS H H 43 8.820 8.820 8.180 0.640 17767 8553 1 13 . 1 1 44 44 GLY N N 44 117.110 117.110 109.734 7.376 17767 8554 1 13 . 1 1 44 44 GLY C C 44 174.300 174.300 173.859 0.441 17767 8555 1 13 . 1 1 44 44 GLY CA C 44 47.480 47.480 45.700 1.780 17767 8556 1 13 . 1 1 44 44 GLY H H 44 8.940 8.940 8.761 0.179 17767 8557 1 13 . 1 1 45 45 ASP N N 45 127.799 127.799 125.101 2.698 17767 8558 1 13 . 1 1 45 45 ASP HA H 45 4.870 4.870 5.213 -0.343 17767 8559 1 13 . 1 1 45 45 ASP C C 45 174.700 174.700 175.198 -0.498 17767 8560 1 13 . 1 1 45 45 ASP CA C 45 54.719 54.719 54.872 -0.153 17767 8561 1 13 . 1 1 45 45 ASP CB C 45 41.270 41.270 42.524 -1.254 17767 8562 1 13 . 1 1 45 45 ASP H H 45 8.870 8.870 8.652 0.218 17767 8563 1 13 . 1 1 46 46 ASP N N 46 120.480 120.480 121.627 -1.147 17767 8564 1 13 . 1 1 46 46 ASP HA H 46 5.230 5.230 5.405 -0.175 17767 8565 1 13 . 1 1 46 46 ASP C C 46 175.070 175.070 175.001 0.069 17767 8566 1 13 . 1 1 46 46 ASP CA C 46 54.132 54.132 55.210 -1.078 17767 8567 1 13 . 1 1 46 46 ASP CB C 46 41.570 41.570 41.479 0.091 17767 8568 1 13 . 1 1 46 46 ASP H H 46 8.060 8.060 8.005 0.055 17767 8569 1 13 . 1 1 47 47 PHE N N 47 122.730 122.730 122.486 0.244 17767 8570 1 13 . 1 1 47 47 PHE HA H 47 5.090 5.090 4.727 0.363 17767 8571 1 13 . 1 1 47 47 PHE C C 47 176.400 176.400 174.449 1.951 17767 8572 1 13 . 1 1 47 47 PHE CA C 47 56.420 56.420 55.543 0.877 17767 8573 1 13 . 1 1 47 47 PHE CB C 47 44.150 44.150 42.534 1.616 17767 8574 1 13 . 1 1 47 47 PHE H H 47 9.296 9.296 9.242 0.054 17767 8575 1 13 . 1 1 48 48 VAL N N 48 121.690 121.690 121.219 0.471 17767 8576 1 13 . 1 1 48 48 VAL HA H 48 4.500 4.500 4.472 0.028 17767 8577 1 13 . 1 1 48 48 VAL C C 48 175.700 175.700 174.460 1.240 17767 8578 1 13 . 1 1 48 48 VAL CA C 48 62.930 62.930 61.694 1.236 17767 8579 1 13 . 1 1 48 48 VAL CB C 48 34.670 34.670 33.510 1.160 17767 8580 1 13 . 1 1 48 48 VAL H H 48 8.520 8.520 8.766 -0.246 17767 8581 1 13 . 1 1 49 49 VAL N N 49 127.200 127.200 129.463 -2.263 17767 8582 1 13 . 1 1 49 49 VAL HA H 49 5.250 5.250 4.514 0.736 17767 8583 1 13 . 1 1 49 49 VAL C C 49 175.700 175.700 175.090 0.610 17767 8584 1 13 . 1 1 49 49 VAL CA C 49 61.180 61.180 61.441 -0.261 17767 8585 1 13 . 1 1 49 49 VAL CB C 49 34.660 34.660 33.446 1.214 17767 8586 1 13 . 1 1 49 49 VAL H H 49 9.330 9.330 9.303 0.027 17767 8587 1 13 . 1 1 50 50 THR N N 50 128.500 128.500 125.287 3.213 17767 8588 1 13 . 1 1 50 50 THR HA H 50 5.430 5.430 5.039 0.391 17767 8589 1 13 . 1 1 50 50 THR C C 50 173.810 173.810 173.797 0.013 17767 8590 1 13 . 1 1 50 50 THR CA C 50 61.530 61.530 61.356 0.174 17767 8591 1 13 . 1 1 50 50 THR CB C 50 70.760 70.760 69.377 1.383 17767 8592 1 13 . 1 1 50 50 THR H H 50 9.730 9.730 9.314 0.416 17767 8593 1 13 . 1 1 51 51 SER N N 51 122.730 122.730 123.457 -0.727 17767 8594 1 13 . 1 1 51 51 SER HA H 51 5.430 5.430 4.648 0.782 17767 8595 1 13 . 1 1 51 51 SER C C 51 173.800 173.800 173.671 0.129 17767 8596 1 13 . 1 1 51 51 SER CA C 51 57.060 57.060 57.330 -0.270 17767 8597 1 13 . 1 1 51 51 SER CB C 51 64.550 64.550 62.443 2.107 17767 8598 1 13 . 1 1 51 51 SER H H 51 9.190 9.190 8.926 0.264 17767 8599 1 13 . 1 1 52 52 LYS N N 52 125.550 125.550 128.556 -3.006 17767 8600 1 13 . 1 1 52 52 LYS HA H 52 5.310 5.310 4.383 0.927 17767 8601 1 13 . 1 1 52 52 LYS C C 52 175.900 175.900 175.544 0.356 17767 8602 1 13 . 1 1 52 52 LYS CA C 52 56.120 56.120 56.607 -0.487 17767 8603 1 13 . 1 1 52 52 LYS CB C 52 36.130 36.130 32.540 3.590 17767 8604 1 13 . 1 1 52 52 LYS H H 52 9.490 9.490 7.989 1.501 17767 8605 1 13 . 1 1 53 53 THR N N 53 115.980 115.980 114.486 1.494 17767 8606 1 13 . 1 1 53 53 THR HA H 53 5.024 5.024 4.795 0.229 17767 8607 1 13 . 1 1 53 53 THR C C 53 173.400 173.400 172.744 0.656 17767 8608 1 13 . 1 1 53 53 THR CA C 53 59.140 59.140 58.371 0.769 17767 8609 1 13 . 1 1 53 53 THR CB C 53 69.300 69.300 71.000 -1.700 17767 8610 1 13 . 1 1 53 53 THR H H 53 8.760 8.760 7.873 0.887 17767 8611 1 13 . 1 1 54 54 PRO HA H 54 4.350 4.350 4.627 -0.277 17767 8612 1 13 . 1 1 54 54 PRO C C 54 177.200 177.200 176.015 1.185 17767 8613 1 13 . 1 1 54 54 PRO CA C 54 66.458 66.458 63.256 3.202 17767 8614 1 13 . 1 1 54 54 PRO CB C 54 32.400 32.400 31.983 0.417 17767 8615 1 13 . 1 1 55 55 ARG N N 55 111.480 111.480 117.457 -5.977 17767 8616 1 13 . 1 1 55 55 ARG HA H 55 4.510 4.510 4.570 -0.060 17767 8617 1 13 . 1 1 55 55 ARG C C 55 175.800 175.800 175.830 -0.030 17767 8618 1 13 . 1 1 55 55 ARG CA C 55 55.893 55.893 56.331 -0.438 17767 8619 1 13 . 1 1 55 55 ARG CB C 55 32.520 32.520 33.026 -0.506 17767 8620 1 13 . 1 1 55 55 ARG H H 55 8.010 8.010 7.772 0.238 17767 8621 1 13 . 1 1 56 56 GLN N N 56 118.230 118.230 118.693 -0.463 17767 8622 1 13 . 1 1 56 56 GLN HA H 56 4.830 4.830 4.451 0.379 17767 8623 1 13 . 1 1 56 56 GLN C C 56 174.200 174.200 174.456 -0.256 17767 8624 1 13 . 1 1 56 56 GLN CA C 56 55.610 55.610 55.268 0.342 17767 8625 1 13 . 1 1 56 56 GLN CB C 56 32.880 32.880 31.651 1.229 17767 8626 1 13 . 1 1 56 56 GLN H H 56 7.530 7.530 8.523 -0.993 17767 8627 1 13 . 1 1 57 57 THR N N 57 120.480 120.480 121.955 -1.475 17767 8628 1 13 . 1 1 57 57 THR HA H 57 5.330 5.330 5.024 0.306 17767 8629 1 13 . 1 1 57 57 THR C C 57 174.000 174.000 174.929 -0.929 17767 8630 1 13 . 1 1 57 57 THR CA C 57 61.760 61.760 61.569 0.191 17767 8631 1 13 . 1 1 57 57 THR CB C 57 71.500 71.500 67.810 3.690 17767 8632 1 13 . 1 1 57 57 THR H H 57 8.610 8.610 8.565 0.045 17767 8633 1 13 . 1 1 58 58 VAL N N 58 125.200 125.200 120.946 4.254 17767 8634 1 13 . 1 1 58 58 VAL HA H 58 4.540 4.540 4.408 0.132 17767 8635 1 13 . 1 1 58 58 VAL C C 58 174.400 174.400 174.887 -0.487 17767 8636 1 13 . 1 1 58 58 VAL CA C 58 61.170 61.170 60.642 0.528 17767 8637 1 13 . 1 1 58 58 VAL CB C 58 35.560 35.560 32.728 2.832 17767 8638 1 13 . 1 1 58 58 VAL H H 58 8.830 8.830 7.669 1.161 17767 8639 1 13 . 1 1 59 59 THR N N 59 125.500 125.500 119.320 6.180 17767 8640 1 13 . 1 1 59 59 THR HA H 59 5.260 5.260 4.916 0.344 17767 8641 1 13 . 1 1 59 59 THR C C 59 173.400 173.400 173.719 -0.319 17767 8642 1 13 . 1 1 59 59 THR CA C 59 61.980 61.980 61.618 0.362 17767 8643 1 13 . 1 1 59 59 THR CB C 59 71.150 71.150 69.469 1.681 17767 8644 1 13 . 1 1 59 59 THR H H 59 8.870 8.870 8.341 0.529 17767 8645 1 13 . 1 1 60 60 ASN N N 60 124.700 124.700 127.132 -2.432 17767 8646 1 13 . 1 1 60 60 ASN HA H 60 5.270 5.270 4.967 0.303 17767 8647 1 13 . 1 1 60 60 ASN C C 60 173.300 173.300 173.735 -0.435 17767 8648 1 13 . 1 1 60 60 ASN CA C 60 53.000 53.000 52.738 0.262 17767 8649 1 13 . 1 1 60 60 ASN CB C 60 44.700 44.700 41.250 3.450 17767 8650 1 13 . 1 1 60 60 ASN H H 60 9.180 9.180 9.150 0.030 17767 8651 1 13 . 1 1 61 61 SER N N 61 115.980 115.980 117.537 -1.557 17767 8652 1 13 . 1 1 61 61 SER HA H 61 5.430 5.430 5.339 0.091 17767 8653 1 13 . 1 1 61 61 SER C C 61 173.300 173.300 173.228 0.072 17767 8654 1 13 . 1 1 61 61 SER CA C 61 57.060 57.060 56.575 0.485 17767 8655 1 13 . 1 1 61 61 SER CB C 61 65.590 65.590 66.426 -0.836 17767 8656 1 13 . 1 1 61 61 SER H H 61 8.840 8.840 8.707 0.133 17767 8657 1 13 . 1 1 62 62 PHE N N 62 117.670 117.670 116.375 1.295 17767 8658 1 13 . 1 1 62 62 PHE HA H 62 5.020 5.020 4.886 0.134 17767 8659 1 13 . 1 1 62 62 PHE C C 62 173.100 173.100 173.235 -0.135 17767 8660 1 13 . 1 1 62 62 PHE CA C 62 56.590 56.590 56.558 0.032 17767 8661 1 13 . 1 1 62 62 PHE CB C 62 40.030 40.030 40.579 -0.549 17767 8662 1 13 . 1 1 62 62 PHE H H 62 8.235 8.235 8.542 -0.307 17767 8663 1 13 . 1 1 63 63 THR N N 63 119.920 119.920 117.350 2.570 17767 8664 1 13 . 1 1 63 63 THR HA H 63 5.500 5.500 5.145 0.355 17767 8665 1 13 . 1 1 63 63 THR C C 63 175.600 175.600 174.715 0.885 17767 8666 1 13 . 1 1 63 63 THR CA C 63 61.170 61.170 61.830 -0.660 17767 8667 1 13 . 1 1 63 63 THR CB C 63 72.320 72.320 70.080 2.240 17767 8668 1 13 . 1 1 63 63 THR H H 63 9.650 9.650 8.821 0.829 17767 8669 1 13 . 1 1 64 64 LEU N N 64 126.300 126.300 128.068 -1.768 17767 8670 1 13 . 1 1 64 64 LEU HA H 64 4.430 4.430 4.009 0.421 17767 8671 1 13 . 1 1 64 64 LEU C C 64 178.000 178.000 178.460 -0.460 17767 8672 1 13 . 1 1 64 64 LEU CA C 64 56.100 56.100 56.268 -0.168 17767 8673 1 13 . 1 1 64 64 LEU CB C 64 41.330 41.330 40.309 1.021 17767 8674 1 13 . 1 1 64 64 LEU H H 64 9.280 9.280 9.104 0.176 17767 8675 1 13 . 1 1 65 65 GLY N N 65 107.520 107.520 112.069 -4.549 17767 8676 1 13 . 1 1 65 65 GLY C C 65 173.800 173.800 173.861 -0.061 17767 8677 1 13 . 1 1 65 65 GLY CA C 65 45.780 45.780 44.828 0.952 17767 8678 1 13 . 1 1 65 65 GLY H H 65 9.110 9.110 8.643 0.467 17767 8679 1 13 . 1 1 66 66 LYS N N 66 121.600 121.600 119.527 2.073 17767 8680 1 13 . 1 1 66 66 LYS HA H 66 4.780 4.780 4.540 0.240 17767 8681 1 13 . 1 1 66 66 LYS C C 66 175.600 175.600 174.961 0.639 17767 8682 1 13 . 1 1 66 66 LYS CA C 66 54.100 54.100 54.104 -0.004 17767 8683 1 13 . 1 1 66 66 LYS CB C 66 34.620 34.620 36.317 -1.697 17767 8684 1 13 . 1 1 66 66 LYS H H 66 7.910 7.910 8.108 -0.198 17767 8685 1 13 . 1 1 67 67 GLU N N 67 129.400 129.400 121.642 7.758 17767 8686 1 13 . 1 1 67 67 GLU HA H 67 4.070 4.070 4.233 -0.163 17767 8687 1 13 . 1 1 67 67 GLU C C 67 175.030 175.030 175.620 -0.590 17767 8688 1 13 . 1 1 67 67 GLU CA C 67 59.220 59.220 56.721 2.499 17767 8689 1 13 . 1 1 67 67 GLU CB C 67 30.400 30.400 30.388 0.012 17767 8690 1 13 . 1 1 67 67 GLU H H 67 8.940 8.940 8.591 0.349 17767 8691 1 13 . 1 1 68 68 ALA N N 68 130.940 130.940 128.584 2.356 17767 8692 1 13 . 1 1 68 68 ALA HA H 68 4.900 4.900 4.697 0.203 17767 8693 1 13 . 1 1 68 68 ALA C C 68 176.000 176.000 175.469 0.531 17767 8694 1 13 . 1 1 68 68 ALA CA C 68 51.000 51.000 51.117 -0.117 17767 8695 1 13 . 1 1 68 68 ALA CB C 68 22.440 22.440 22.720 -0.280 17767 8696 1 13 . 1 1 68 68 ALA H H 68 8.660 8.660 8.547 0.113 17767 8697 1 13 . 1 1 69 69 ASP N N 69 120.500 120.500 124.192 -3.692 17767 8698 1 13 . 1 1 69 69 ASP HA H 69 5.000 5.000 4.797 0.203 17767 8699 1 13 . 1 1 69 69 ASP C C 69 174.400 174.400 175.997 -1.597 17767 8700 1 13 . 1 1 69 69 ASP CA C 69 54.670 54.670 54.605 0.065 17767 8701 1 13 . 1 1 69 69 ASP CB C 69 41.930 41.930 40.501 1.429 17767 8702 1 13 . 1 1 69 69 ASP H H 69 8.330 8.330 8.708 -0.378 17767 8703 1 13 . 1 1 70 70 ILE N N 70 125.540 125.540 120.615 4.925 17767 8704 1 13 . 1 1 70 70 ILE HA H 70 4.510 4.510 4.602 -0.092 17767 8705 1 13 . 1 1 70 70 ILE C C 70 175.300 175.300 174.463 0.837 17767 8706 1 13 . 1 1 70 70 ILE CA C 70 57.690 57.690 59.332 -1.642 17767 8707 1 13 . 1 1 70 70 ILE CB C 70 40.040 40.040 40.714 -0.674 17767 8708 1 13 . 1 1 70 70 ILE H H 70 8.850 8.850 7.831 1.019 17767 8709 1 13 . 1 1 71 71 THR N N 71 123.860 123.860 117.080 6.780 17767 8710 1 13 . 1 1 71 71 THR HA H 71 5.240 5.240 4.922 0.318 17767 8711 1 13 . 1 1 71 71 THR C C 71 174.600 174.600 173.958 0.642 17767 8712 1 13 . 1 1 71 71 THR CA C 71 61.610 61.610 61.333 0.277 17767 8713 1 13 . 1 1 71 71 THR CB C 71 70.370 70.370 71.290 -0.920 17767 8714 1 13 . 1 1 71 71 THR H H 71 9.460 9.460 8.161 1.299 17767 8715 1 13 . 1 1 72 72 THR N N 72 115.980 115.980 117.948 -1.968 17767 8716 1 13 . 1 1 72 72 THR HA H 72 4.550 4.550 4.515 0.035 17767 8717 1 13 . 1 1 72 72 THR C C 72 177.300 177.300 175.752 1.548 17767 8718 1 13 . 1 1 72 72 THR CA C 72 60.550 60.550 60.188 0.362 17767 8719 1 13 . 1 1 72 72 THR CB C 72 70.710 70.710 70.281 0.429 17767 8720 1 13 . 1 1 72 72 THR H H 72 8.700 8.700 8.301 0.399 17767 8721 1 13 . 1 1 73 73 MET N N 73 119.830 119.830 117.418 2.412 17767 8722 1 13 . 1 1 73 73 MET HA H 73 4.110 4.110 4.279 -0.169 17767 8723 1 13 . 1 1 73 73 MET C C 73 176.200 176.200 176.750 -0.550 17767 8724 1 13 . 1 1 73 73 MET CA C 73 58.900 58.900 57.441 1.459 17767 8725 1 13 . 1 1 73 73 MET CB C 73 34.760 34.760 32.410 2.350 17767 8726 1 13 . 1 1 73 73 MET H H 73 10.360 10.360 8.505 1.855 17767 8727 1 13 . 1 1 74 74 ASP N N 74 112.220 112.220 119.949 -7.729 17767 8728 1 13 . 1 1 74 74 ASP HA H 74 4.800 4.800 4.440 0.360 17767 8729 1 13 . 1 1 74 74 ASP C C 74 175.600 175.600 177.277 -1.677 17767 8730 1 13 . 1 1 74 74 ASP CA C 74 52.630 52.630 55.388 -2.758 17767 8731 1 13 . 1 1 74 74 ASP CB C 74 38.870 38.870 41.529 -2.659 17767 8732 1 13 . 1 1 74 74 ASP H H 74 8.680 8.680 7.668 1.012 17767 8733 1 13 . 1 1 75 75 GLY N N 75 108.040 108.040 106.227 1.813 17767 8734 1 13 . 1 1 75 75 GLY C C 75 175.000 175.000 173.531 1.469 17767 8735 1 13 . 1 1 75 75 GLY CA C 75 46.400 46.400 44.763 1.637 17767 8736 1 13 . 1 1 75 75 GLY H H 75 7.600 7.600 7.488 0.112 17767 8737 1 13 . 1 1 76 76 LYS N N 76 120.500 120.500 120.363 0.137 17767 8738 1 13 . 1 1 76 76 LYS HA H 76 4.440 4.440 4.561 -0.121 17767 8739 1 13 . 1 1 76 76 LYS C C 76 175.400 175.400 175.769 -0.369 17767 8740 1 13 . 1 1 76 76 LYS CA C 76 55.240 55.240 55.058 0.182 17767 8741 1 13 . 1 1 76 76 LYS CB C 76 33.500 33.500 33.457 0.043 17767 8742 1 13 . 1 1 76 76 LYS H H 76 8.260 8.260 8.115 0.145 17767 8743 1 13 . 1 1 77 77 LYS N N 77 119.300 119.300 123.723 -4.423 17767 8744 1 13 . 1 1 77 77 LYS HA H 77 5.370 5.370 4.551 0.819 17767 8745 1 13 . 1 1 77 77 LYS C C 77 176.100 176.100 176.342 -0.242 17767 8746 1 13 . 1 1 77 77 LYS CA C 77 54.360 54.360 55.902 -1.542 17767 8747 1 13 . 1 1 77 77 LYS CB C 77 32.840 32.840 32.336 0.504 17767 8748 1 13 . 1 1 77 77 LYS H H 77 8.130 8.130 8.464 -0.334 17767 8749 1 13 . 1 1 78 78 LEU N N 78 123.860 123.860 126.545 -2.685 17767 8750 1 13 . 1 1 78 78 LEU HA H 78 4.910 4.910 4.744 0.166 17767 8751 1 13 . 1 1 78 78 LEU C C 78 175.600 175.600 175.763 -0.163 17767 8752 1 13 . 1 1 78 78 LEU CA C 78 53.170 53.170 54.018 -0.848 17767 8753 1 13 . 1 1 78 78 LEU CB C 78 45.780 45.780 45.194 0.586 17767 8754 1 13 . 1 1 78 78 LEU H H 78 9.028 9.028 8.195 0.833 17767 8755 1 13 . 1 1 79 79 LYS N N 79 119.280 119.280 121.579 -2.299 17767 8756 1 13 . 1 1 79 79 LYS HA H 79 5.615 5.615 5.096 0.519 17767 8757 1 13 . 1 1 79 79 LYS C C 79 176.600 176.600 175.384 1.216 17767 8758 1 13 . 1 1 79 79 LYS CA C 79 55.000 55.000 54.815 0.185 17767 8759 1 13 . 1 1 79 79 LYS CB C 79 36.850 36.850 32.983 3.867 17767 8760 1 13 . 1 1 79 79 LYS H H 79 8.240 8.240 8.377 -0.137 17767 8761 1 13 . 1 1 80 80 CYS N N 80 115.980 115.980 125.119 -9.139 17767 8762 1 13 . 1 1 80 80 CYS HA H 80 4.700 4.700 4.859 -0.159 17767 8763 1 13 . 1 1 80 80 CYS C C 80 173.500 173.500 174.113 -0.613 17767 8764 1 13 . 1 1 80 80 CYS CA C 80 56.500 56.500 57.289 -0.789 17767 8765 1 13 . 1 1 80 80 CYS CB C 80 45.700 45.700 30.328 15.372 17767 8766 1 13 . 1 1 80 80 CYS H H 80 8.306 8.306 8.364 -0.058 17767 8767 1 13 . 1 1 81 81 THR N N 81 122.000 122.000 124.741 -2.741 17767 8768 1 13 . 1 1 81 81 THR HA H 81 4.303 4.303 4.587 -0.284 17767 8769 1 13 . 1 1 81 81 THR C C 81 173.100 173.100 173.580 -0.480 17767 8770 1 13 . 1 1 81 81 THR CA C 81 62.460 62.460 61.309 1.151 17767 8771 1 13 . 1 1 81 81 THR CB C 81 68.200 68.200 67.029 1.170 17767 8772 1 13 . 1 1 81 81 THR H H 81 8.840 8.840 8.661 0.179 17767 8773 1 13 . 1 1 82 82 VAL N N 82 132.160 132.160 127.593 4.567 17767 8774 1 13 . 1 1 82 82 VAL HA H 82 4.449 4.449 4.306 0.143 17767 8775 1 13 . 1 1 82 82 VAL C C 82 175.100 175.100 175.838 -0.738 17767 8776 1 13 . 1 1 82 82 VAL CA C 82 61.760 61.760 62.325 -0.565 17767 8777 1 13 . 1 1 82 82 VAL CB C 82 31.200 31.200 29.663 1.537 17767 8778 1 13 . 1 1 82 82 VAL H H 82 9.520 9.520 7.807 1.713 17767 8779 1 13 . 1 1 83 83 HIS N N 83 123.860 123.860 124.846 -0.986 17767 8780 1 13 . 1 1 83 83 HIS HA H 83 5.009 5.009 4.979 0.030 17767 8781 1 13 . 1 1 83 83 HIS C C 83 173.500 173.500 172.959 0.541 17767 8782 1 13 . 1 1 83 83 HIS CA C 83 55.300 55.300 53.295 2.005 17767 8783 1 13 . 1 1 83 83 HIS CB C 83 33.400 33.400 32.987 0.413 17767 8784 1 13 . 1 1 83 83 HIS H H 83 8.740 8.740 8.565 0.175 17767 8785 1 13 . 1 1 84 84 LEU N N 84 121.600 121.600 124.682 -3.082 17767 8786 1 13 . 1 1 84 84 LEU HA H 84 5.420 5.420 4.622 0.798 17767 8787 1 13 . 1 1 84 84 LEU C C 84 176.500 176.500 175.929 0.571 17767 8788 1 13 . 1 1 84 84 LEU CA C 84 53.790 53.790 54.616 -0.826 17767 8789 1 13 . 1 1 84 84 LEU CB C 84 44.740 44.740 42.614 2.126 17767 8790 1 13 . 1 1 84 84 LEU H H 84 8.850 8.850 8.636 0.214 17767 8791 1 13 . 1 1 85 85 ALA N N 85 128.800 128.800 129.395 -0.595 17767 8792 1 13 . 1 1 85 85 ALA HA H 85 4.750 4.750 4.541 0.209 17767 8793 1 13 . 1 1 85 85 ALA C C 85 177.000 177.000 176.616 0.384 17767 8794 1 13 . 1 1 85 85 ALA CA C 85 51.480 51.480 52.138 -0.658 17767 8795 1 13 . 1 1 85 85 ALA CB C 85 20.910 20.910 20.863 0.046 17767 8796 1 13 . 1 1 85 85 ALA H H 85 9.230 9.230 8.955 0.275 17767 8797 1 13 . 1 1 86 86 ASN HA H 86 4.430 4.430 4.360 0.070 17767 8798 1 13 . 1 1 86 86 ASN C C 86 175.400 175.400 175.322 0.078 17767 8799 1 13 . 1 1 86 86 ASN CA C 86 54.140 54.140 54.123 0.016 17767 8800 1 13 . 1 1 86 86 ASN CB C 86 37.550 37.550 37.733 -0.183 17767 8801 1 13 . 1 1 87 87 GLY N N 87 103.430 103.430 102.744 0.686 17767 8802 1 13 . 1 1 87 87 GLY C C 87 173.800 173.800 173.478 0.322 17767 8803 1 13 . 1 1 87 87 GLY CA C 87 45.670 45.670 45.136 0.534 17767 8804 1 13 . 1 1 87 87 GLY H H 87 8.620 8.620 8.413 0.207 17767 8805 1 13 . 1 1 88 88 LYS N N 88 120.490 120.490 118.042 2.448 17767 8806 1 13 . 1 1 88 88 LYS HA H 88 5.120 5.120 5.249 -0.129 17767 8807 1 13 . 1 1 88 88 LYS C C 88 175.500 175.500 174.673 0.827 17767 8808 1 13 . 1 1 88 88 LYS CA C 88 55.140 55.140 53.411 1.728 17767 8809 1 13 . 1 1 88 88 LYS CB C 88 34.610 34.610 35.154 -0.544 17767 8810 1 13 . 1 1 88 88 LYS H H 88 7.880 7.880 7.505 0.375 17767 8811 1 13 . 1 1 89 89 LEU N N 89 124.420 124.420 122.987 1.433 17767 8812 1 13 . 1 1 89 89 LEU HA H 89 4.730 4.730 4.550 0.180 17767 8813 1 13 . 1 1 89 89 LEU C C 89 176.700 176.700 175.443 1.257 17767 8814 1 13 . 1 1 89 89 LEU CA C 89 54.500 54.500 54.081 0.419 17767 8815 1 13 . 1 1 89 89 LEU CB C 89 44.150 44.150 42.671 1.479 17767 8816 1 13 . 1 1 89 89 LEU H H 89 8.780 8.780 8.479 0.301 17767 8817 1 13 . 1 1 90 90 VAL N N 90 122.500 122.500 122.244 0.256 17767 8818 1 13 . 1 1 90 90 VAL HA H 90 5.420 5.420 4.177 1.243 17767 8819 1 13 . 1 1 90 90 VAL C C 90 175.200 175.200 174.091 1.109 17767 8820 1 13 . 1 1 90 90 VAL CA C 90 60.350 60.350 61.141 -0.791 17767 8821 1 13 . 1 1 90 90 VAL CB C 90 35.930 35.930 32.951 2.979 17767 8822 1 13 . 1 1 90 90 VAL H H 90 9.050 9.050 8.550 0.499 17767 8823 1 13 . 1 1 91 91 CYS N N 91 123.100 123.100 129.455 -6.355 17767 8824 1 13 . 1 1 91 91 CYS HA H 91 5.370 5.370 4.881 0.489 17767 8825 1 13 . 1 1 91 91 CYS C C 91 172.700 172.700 173.157 -0.457 17767 8826 1 13 . 1 1 91 91 CYS CA C 91 55.230 55.230 56.839 -1.609 17767 8827 1 13 . 1 1 91 91 CYS CB C 91 42.970 42.970 26.724 16.246 17767 8828 1 13 . 1 1 91 91 CYS H H 91 8.820 8.820 8.420 0.400 17767 8829 1 13 . 1 1 92 92 LYS N N 92 128.900 128.900 128.047 0.853 17767 8830 1 13 . 1 1 92 92 LYS HA H 92 5.000 5.000 4.636 0.364 17767 8831 1 13 . 1 1 92 92 LYS C C 92 174.270 174.270 175.427 -1.157 17767 8832 1 13 . 1 1 92 92 LYS CA C 92 55.360 55.360 55.540 -0.180 17767 8833 1 13 . 1 1 92 92 LYS CB C 92 35.960 35.960 35.333 0.627 17767 8834 1 13 . 1 1 92 92 LYS H H 92 9.450 9.450 8.397 1.053 17767 8835 1 13 . 1 1 93 93 SER N N 93 119.300 119.300 120.088 -0.788 17767 8836 1 13 . 1 1 93 93 SER HA H 93 4.710 4.710 4.858 -0.148 17767 8837 1 13 . 1 1 93 93 SER C C 93 174.200 174.200 174.866 -0.666 17767 8838 1 13 . 1 1 93 93 SER CA C 93 55.430 55.430 57.184 -1.754 17767 8839 1 13 . 1 1 93 93 SER CB C 93 66.460 66.460 64.813 1.647 17767 8840 1 13 . 1 1 93 93 SER H H 93 8.620 8.620 8.890 -0.270 17767 8841 1 13 . 1 1 94 94 GLU N N 94 119.900 119.900 121.277 -1.377 17767 8842 1 13 . 1 1 94 94 GLU HA H 94 4.090 4.090 4.307 -0.217 17767 8843 1 13 . 1 1 94 94 GLU C C 94 177.600 177.600 177.301 0.299 17767 8844 1 13 . 1 1 94 94 GLU CA C 94 59.440 59.440 58.529 0.911 17767 8845 1 13 . 1 1 94 94 GLU CB C 94 29.360 29.360 29.957 -0.597 17767 8846 1 13 . 1 1 94 94 GLU H H 94 8.670 8.670 8.854 -0.184 17767 8847 1 13 . 1 1 95 95 LYS N N 95 113.500 113.500 116.935 -3.435 17767 8848 1 13 . 1 1 95 95 LYS HA H 95 4.430 4.430 4.164 0.266 17767 8849 1 13 . 1 1 95 95 LYS C C 95 175.980 175.980 175.026 0.954 17767 8850 1 13 . 1 1 95 95 LYS CA C 95 56.180 56.180 55.386 0.794 17767 8851 1 13 . 1 1 95 95 LYS CB C 95 35.220 35.220 32.606 2.614 17767 8852 1 13 . 1 1 95 95 LYS H H 95 8.300 8.300 7.782 0.518 17767 8853 1 13 . 1 1 96 96 PHE N N 96 113.270 113.270 117.629 -4.359 17767 8854 1 13 . 1 1 96 96 PHE HA H 96 5.860 5.860 4.461 1.399 17767 8855 1 13 . 1 1 96 96 PHE C C 96 173.900 173.900 173.738 0.162 17767 8856 1 13 . 1 1 96 96 PHE CA C 96 55.890 55.890 56.201 -0.311 17767 8857 1 13 . 1 1 96 96 PHE CB C 96 43.560 43.560 42.003 1.557 17767 8858 1 13 . 1 1 96 96 PHE H H 96 7.000 7.000 7.391 -0.391 17767 8859 1 13 . 1 1 97 97 SER N N 97 112.050 112.050 113.565 -1.515 17767 8860 1 13 . 1 1 97 97 SER HA H 97 5.220 5.220 4.763 0.457 17767 8861 1 13 . 1 1 97 97 SER C C 97 172.560 172.560 172.742 -0.182 17767 8862 1 13 . 1 1 97 97 SER CA C 97 57.870 57.870 58.296 -0.426 17767 8863 1 13 . 1 1 97 97 SER CB C 97 65.990 65.990 65.423 0.567 17767 8864 1 13 . 1 1 97 97 SER H H 97 8.790 8.790 8.944 -0.154 17767 8865 1 13 . 1 1 98 98 HIS N N 98 126.300 126.300 124.238 2.062 17767 8866 1 13 . 1 1 98 98 HIS HA H 98 5.190 5.190 5.122 0.068 17767 8867 1 13 . 1 1 98 98 HIS C C 98 174.500 174.500 173.369 1.131 17767 8868 1 13 . 1 1 98 98 HIS CA C 98 56.260 56.260 54.691 1.569 17767 8869 1 13 . 1 1 98 98 HIS CB C 98 36.270 36.270 32.563 3.707 17767 8870 1 13 . 1 1 98 98 HIS H H 98 9.190 9.190 9.269 -0.079 17767 8871 1 13 . 1 1 99 99 GLU N N 99 126.670 126.670 128.172 -1.502 17767 8872 1 13 . 1 1 99 99 GLU HA H 99 5.390 5.390 4.643 0.747 17767 8873 1 13 . 1 1 99 99 GLU C C 99 175.400 175.400 174.635 0.765 17767 8874 1 13 . 1 1 99 99 GLU CA C 99 55.000 55.000 55.497 -0.497 17767 8875 1 13 . 1 1 99 99 GLU CB C 99 34.000 34.000 31.862 2.138 17767 8876 1 13 . 1 1 99 99 GLU H H 99 8.350 8.350 9.122 -0.772 17767 8877 1 13 . 1 1 101 101 GLU N N 101 125.500 125.500 126.072 -0.572 17767 8878 1 13 . 1 1 101 101 GLU HA H 101 5.160 5.160 4.714 0.446 17767 8879 1 13 . 1 1 101 101 GLU CA C 101 54.090 54.090 55.004 -0.914 17767 8880 1 13 . 1 1 101 101 GLU CB C 101 34.800 34.800 33.296 1.504 17767 8881 1 13 . 1 1 101 101 GLU H H 101 8.900 8.900 8.141 0.759 17767 8882 1 13 . 1 1 102 102 VAL N N 102 124.420 124.420 123.832 0.588 17767 8883 1 13 . 1 1 102 102 VAL HA H 102 4.630 4.630 4.565 0.065 17767 8884 1 13 . 1 1 102 102 VAL C C 102 175.200 175.200 175.621 -0.421 17767 8885 1 13 . 1 1 102 102 VAL CA C 102 61.380 61.380 60.869 0.511 17767 8886 1 13 . 1 1 102 102 VAL CB C 102 34.100 34.100 32.928 1.171 17767 8887 1 13 . 1 1 102 102 VAL H H 102 8.790 8.790 8.498 0.292 17767 8888 1 13 . 1 1 103 103 LYS N N 103 129.480 129.480 128.714 0.766 17767 8889 1 13 . 1 1 103 103 LYS HA H 103 4.570 4.570 4.562 0.008 17767 8890 1 13 . 1 1 103 103 LYS C C 103 176.500 176.500 176.573 -0.073 17767 8891 1 13 . 1 1 103 103 LYS CA C 103 55.340 55.340 54.807 0.533 17767 8892 1 13 . 1 1 103 103 LYS CB C 103 33.760 33.760 32.205 1.555 17767 8893 1 13 . 1 1 103 103 LYS H H 103 8.950 8.950 9.049 -0.099 17767 8894 1 13 . 1 1 104 104 GLY N N 104 116.700 116.700 115.943 0.757 17767 8895 1 13 . 1 1 104 104 GLY C C 104 174.500 174.500 174.722 -0.222 17767 8896 1 13 . 1 1 104 104 GLY CA C 104 47.680 47.680 46.282 1.399 17767 8897 1 13 . 1 1 104 104 GLY H H 104 9.140 9.140 8.644 0.496 17767 8898 1 13 . 1 1 105 105 ASN N N 105 125.540 125.540 125.141 0.399 17767 8899 1 13 . 1 1 105 105 ASN HA H 105 5.000 5.000 5.026 -0.026 17767 8900 1 13 . 1 1 105 105 ASN CA C 105 53.130 53.130 53.173 -0.043 17767 8901 1 13 . 1 1 105 105 ASN CB C 105 39.060 39.060 40.661 -1.601 17767 8902 1 13 . 1 1 105 105 ASN H H 105 9.030 9.030 8.479 0.551 17767 8903 1 13 . 1 1 106 106 GLU N N 106 120.480 120.480 119.972 0.508 17767 8904 1 13 . 1 1 106 106 GLU HA H 106 5.550 5.550 5.244 0.306 17767 8905 1 13 . 1 1 106 106 GLU CA C 106 55.550 55.550 55.315 0.235 17767 8906 1 13 . 1 1 106 106 GLU CB C 106 33.160 33.160 33.809 -0.649 17767 8907 1 13 . 1 1 106 106 GLU H H 106 8.100 8.100 7.709 0.391 17767 8908 1 13 . 1 1 107 107 MET N N 107 124.080 124.080 125.250 -1.170 17767 8909 1 13 . 1 1 107 107 MET HA H 107 5.120 5.120 5.182 -0.062 17767 8910 1 13 . 1 1 107 107 MET CA C 107 53.700 53.700 54.113 -0.413 17767 8911 1 13 . 1 1 107 107 MET CB C 107 36.800 36.800 35.176 1.624 17767 8912 1 13 . 1 1 107 107 MET H H 107 8.930 8.930 9.252 -0.322 17767 8913 1 13 . 1 1 108 108 VAL N N 108 126.820 126.820 123.454 3.366 17767 8914 1 13 . 1 1 108 108 VAL HA H 108 5.250 5.250 4.514 0.736 17767 8915 1 13 . 1 1 108 108 VAL CA C 108 61.340 61.340 60.552 0.788 17767 8916 1 13 . 1 1 108 108 VAL CB C 108 34.900 34.900 31.551 3.349 17767 8917 1 13 . 1 1 108 108 VAL H H 108 9.017 9.017 8.624 0.393 17767 8918 1 13 . 1 1 109 109 GLU N N 109 128.300 128.300 126.732 1.568 17767 8919 1 13 . 1 1 109 109 GLU HA H 109 5.040 5.040 5.024 0.016 17767 8920 1 13 . 1 1 109 109 GLU C C 109 174.410 174.410 175.461 -1.051 17767 8921 1 13 . 1 1 109 109 GLU CA C 109 54.440 54.440 54.164 0.276 17767 8922 1 13 . 1 1 109 109 GLU CB C 109 34.760 34.760 33.658 1.102 17767 8923 1 13 . 1 1 109 109 GLU H H 109 9.100 9.100 8.535 0.565 17767 8924 1 13 . 1 1 110 110 THR N N 110 120.760 120.760 117.933 2.827 17767 8925 1 13 . 1 1 110 110 THR HA H 110 4.850 4.850 4.919 -0.069 17767 8926 1 13 . 1 1 110 110 THR C C 110 174.900 174.900 173.064 1.836 17767 8927 1 13 . 1 1 110 110 THR CA C 110 61.980 61.980 61.934 0.047 17767 8928 1 13 . 1 1 110 110 THR CB C 110 69.520 69.520 70.962 -1.442 17767 8929 1 13 . 1 1 110 110 THR H H 110 8.876 8.876 8.620 0.256 17767 8930 1 13 . 1 1 111 111 ILE N N 111 131.030 131.030 125.132 5.898 17767 8931 1 13 . 1 1 111 111 ILE HA H 111 5.240 5.240 4.671 0.569 17767 8932 1 13 . 1 1 111 111 ILE C C 111 174.600 174.600 174.593 0.007 17767 8933 1 13 . 1 1 111 111 ILE CA C 111 60.310 60.310 58.907 1.403 17767 8934 1 13 . 1 1 111 111 ILE CB C 111 41.220 41.220 41.277 -0.057 17767 8935 1 13 . 1 1 111 111 ILE H H 111 9.490 9.490 8.928 0.562 17767 8936 1 13 . 1 1 112 112 THR N N 112 122.800 122.800 116.450 6.350 17767 8937 1 13 . 1 1 112 112 THR HA H 112 5.960 5.960 4.984 0.976 17767 8938 1 13 . 1 1 112 112 THR C C 112 174.370 174.370 173.277 1.093 17767 8939 1 13 . 1 1 112 112 THR CA C 112 61.180 61.180 62.227 -1.047 17767 8940 1 13 . 1 1 112 112 THR CB C 112 71.250 71.250 70.652 0.598 17767 8941 1 13 . 1 1 112 112 THR H H 112 9.490 9.490 8.247 1.243 17767 8942 1 13 . 1 1 113 113 PHE N N 113 124.980 124.980 124.516 0.464 17767 8943 1 13 . 1 1 113 113 PHE HA H 113 4.820 4.820 4.741 0.079 17767 8944 1 13 . 1 1 113 113 PHE C C 113 175.700 175.700 175.848 -0.148 17767 8945 1 13 . 1 1 113 113 PHE CA C 113 58.800 58.800 57.805 0.995 17767 8946 1 13 . 1 1 113 113 PHE CB C 113 43.480 43.480 42.880 0.600 17767 8947 1 13 . 1 1 113 113 PHE H H 113 9.000 9.000 8.568 0.432 17767 8948 1 13 . 1 1 114 114 GLY N N 114 116.550 116.550 110.829 5.721 17767 8949 1 13 . 1 1 114 114 GLY C C 114 175.300 175.300 174.675 0.625 17767 8950 1 13 . 1 1 114 114 GLY CA C 114 46.840 46.840 45.863 0.977 17767 8951 1 13 . 1 1 114 114 GLY H H 114 8.410 8.410 9.179 -0.769 17767 8952 1 13 . 1 1 115 115 GLY N N 115 105.640 105.640 106.906 -1.266 17767 8953 1 13 . 1 1 115 115 GLY C C 115 174.200 174.200 173.883 0.317 17767 8954 1 13 . 1 1 115 115 GLY CA C 115 44.890 44.890 44.957 -0.067 17767 8955 1 13 . 1 1 115 115 GLY H H 115 8.560 8.560 8.222 0.338 17767 8956 1 13 . 1 1 116 116 VAL N N 116 123.600 123.600 120.886 2.714 17767 8957 1 13 . 1 1 116 116 VAL HA H 116 4.310 4.310 4.315 -0.005 17767 8958 1 13 . 1 1 116 116 VAL C C 116 174.640 174.640 174.978 -0.338 17767 8959 1 13 . 1 1 116 116 VAL CA C 116 62.250 62.250 60.700 1.550 17767 8960 1 13 . 1 1 116 116 VAL CB C 116 34.170 34.170 34.344 -0.175 17767 8961 1 13 . 1 1 116 116 VAL H H 116 8.164 8.164 7.697 0.467 17767 8962 1 13 . 1 1 117 117 THR N N 117 123.270 123.270 123.919 -0.649 17767 8963 1 13 . 1 1 117 117 THR HA H 117 5.250 5.250 4.439 0.811 17767 8964 1 13 . 1 1 117 117 THR C C 117 173.800 173.800 173.223 0.577 17767 8965 1 13 . 1 1 117 117 THR CA C 117 61.900 61.900 61.639 0.261 17767 8966 1 13 . 1 1 117 117 THR CB C 117 70.450 70.450 68.656 1.794 17767 8967 1 13 . 1 1 117 117 THR H H 117 8.770 8.770 8.474 0.296 17767 8968 1 13 . 1 1 118 118 LEU N N 118 132.800 132.800 129.490 3.310 17767 8969 1 13 . 1 1 118 118 LEU HA H 118 4.880 4.880 4.919 -0.039 17767 8970 1 13 . 1 1 118 118 LEU C C 118 175.200 175.200 174.942 0.258 17767 8971 1 13 . 1 1 118 118 LEU CA C 118 53.570 53.570 53.792 -0.222 17767 8972 1 13 . 1 1 118 118 LEU CB C 118 44.730 44.730 42.974 1.756 17767 8973 1 13 . 1 1 118 118 LEU H H 118 9.700 9.700 7.627 2.073 17767 8974 1 13 . 1 1 119 119 ILE N N 119 124.980 124.980 128.048 -3.068 17767 8975 1 13 . 1 1 119 119 ILE HA H 119 5.240 5.240 4.268 0.972 17767 8976 1 13 . 1 1 119 119 ILE C C 119 175.900 175.900 175.273 0.627 17767 8977 1 13 . 1 1 119 119 ILE CA C 119 59.340 59.340 60.842 -1.502 17767 8978 1 13 . 1 1 119 119 ILE CB C 119 39.550 39.550 38.523 1.027 17767 8979 1 13 . 1 1 119 119 ILE H H 119 7.800 7.800 7.960 -0.160 17767 8980 1 13 . 1 1 120 120 ARG N N 120 126.110 126.110 127.030 -0.920 17767 8981 1 13 . 1 1 120 120 ARG HA H 120 5.040 5.040 4.629 0.411 17767 8982 1 13 . 1 1 120 120 ARG C C 120 175.300 175.300 174.471 0.829 17767 8983 1 13 . 1 1 120 120 ARG CA C 120 54.990 54.990 54.731 0.259 17767 8984 1 13 . 1 1 120 120 ARG CB C 120 34.760 34.760 34.041 0.718 17767 8985 1 13 . 1 1 120 120 ARG H H 120 9.400 9.400 8.477 0.923 17767 8986 1 13 . 1 1 121 121 ARG N N 121 126.600 126.600 123.336 3.264 17767 8987 1 13 . 1 1 121 121 ARG HA H 121 5.350 5.350 4.746 0.604 17767 8988 1 13 . 1 1 121 121 ARG C C 121 175.020 175.020 174.949 0.071 17767 8989 1 13 . 1 1 121 121 ARG CA C 121 55.250 55.250 54.237 1.013 17767 8990 1 13 . 1 1 121 121 ARG CB C 121 31.830 31.830 31.876 -0.046 17767 8991 1 13 . 1 1 121 121 ARG H H 121 9.110 9.110 8.032 1.078 17767 8992 1 13 . 1 1 122 122 SER N N 122 118.200 118.200 116.845 1.355 17767 8993 1 13 . 1 1 122 122 SER HA H 122 5.730 5.730 5.583 0.147 17767 8994 1 13 . 1 1 122 122 SER C C 122 173.010 173.010 173.221 -0.211 17767 8995 1 13 . 1 1 122 122 SER CA C 122 58.100 58.100 56.673 1.427 17767 8996 1 13 . 1 1 122 122 SER CB C 122 66.850 66.850 65.675 1.175 17767 8997 1 13 . 1 1 122 122 SER H H 122 9.290 9.290 8.998 0.292 17767 8998 1 13 . 1 1 123 123 LYS N N 123 120.480 120.480 124.749 -4.269 17767 8999 1 13 . 1 1 123 123 LYS HA H 123 5.780 5.780 5.158 0.622 17767 9000 1 13 . 1 1 123 123 LYS C C 123 175.600 175.600 175.766 -0.166 17767 9001 1 13 . 1 1 123 123 LYS CA C 123 54.130 54.130 54.794 -0.664 17767 9002 1 13 . 1 1 123 123 LYS CB C 123 36.330 36.330 35.395 0.935 17767 9003 1 13 . 1 1 123 123 LYS H H 123 8.650 8.650 9.269 -0.619 17767 9004 1 13 . 1 1 124 124 ARG N N 124 124.980 124.980 126.070 -1.090 17767 9005 1 13 . 1 1 124 124 ARG HA H 124 3.940 3.940 4.747 -0.807 17767 9006 1 13 . 1 1 124 124 ARG C C 124 176.500 176.500 175.883 0.617 17767 9007 1 13 . 1 1 124 124 ARG CA C 124 56.900 56.900 56.435 0.465 17767 9008 1 13 . 1 1 124 124 ARG CB C 124 30.380 30.380 31.321 -0.941 17767 9009 1 13 . 1 1 124 124 ARG H H 124 8.200 8.200 8.990 -0.790 17767 9010 1 14 . 1 1 2 2 PHE HA H 2 4.460 4.460 4.823 -0.363 17767 9011 1 14 . 1 1 2 2 PHE C C 2 175.900 175.900 175.782 0.118 17767 9012 1 14 . 1 1 2 2 PHE CA C 2 61.170 61.170 59.169 2.002 17767 9013 1 14 . 1 1 2 2 PHE CB C 2 40.690 40.690 39.834 0.856 17767 9014 1 14 . 1 1 3 3 SER N N 3 111.380 111.380 115.138 -3.758 17767 9015 1 14 . 1 1 3 3 SER HA H 3 4.420 4.420 4.301 0.119 17767 9016 1 14 . 1 1 3 3 SER C C 3 174.700 174.700 174.677 0.023 17767 9017 1 14 . 1 1 3 3 SER CA C 3 60.000 60.000 59.463 0.537 17767 9018 1 14 . 1 1 3 3 SER CB C 3 64.140 64.140 62.572 1.568 17767 9019 1 14 . 1 1 3 3 SER H H 3 7.968 7.968 8.092 -0.124 17767 9020 1 14 . 1 1 4 4 GLY N N 4 111.480 111.480 112.559 -1.079 17767 9021 1 14 . 1 1 4 4 GLY C C 4 171.800 171.800 171.235 0.565 17767 9022 1 14 . 1 1 4 4 GLY CA C 4 44.150 44.150 45.468 -1.318 17767 9023 1 14 . 1 1 4 4 GLY H H 4 9.080 9.080 8.661 0.419 17767 9024 1 14 . 1 1 5 5 THR N N 5 117.770 117.770 112.973 4.797 17767 9025 1 14 . 1 1 5 5 THR HA H 5 4.980 4.980 5.083 -0.103 17767 9026 1 14 . 1 1 5 5 THR C C 5 173.190 173.190 172.784 0.406 17767 9027 1 14 . 1 1 5 5 THR CA C 5 62.930 62.930 61.012 1.918 17767 9028 1 14 . 1 1 5 5 THR CB C 5 69.310 69.310 70.720 -1.410 17767 9029 1 14 . 1 1 5 5 THR H H 5 8.270 8.270 7.603 0.667 17767 9030 1 14 . 1 1 6 6 TRP N N 6 127.500 127.500 125.880 1.620 17767 9031 1 14 . 1 1 6 6 TRP HA H 6 5.130 5.130 5.448 -0.318 17767 9032 1 14 . 1 1 6 6 TRP CA C 6 55.300 55.300 55.602 -0.302 17767 9033 1 14 . 1 1 6 6 TRP CB C 6 32.290 32.290 31.665 0.625 17767 9034 1 14 . 1 1 6 6 TRP H H 6 9.560 9.560 8.848 0.712 17767 9035 1 14 . 1 1 7 7 GLN HA H 7 4.970 4.970 4.756 0.214 17767 9036 1 14 . 1 1 7 7 GLN C C 7 175.900 175.900 174.532 1.368 17767 9037 1 14 . 1 1 7 7 GLN CA C 7 54.720 54.720 54.691 0.029 17767 9038 1 14 . 1 1 7 7 GLN CB C 7 32.400 32.400 31.113 1.287 17767 9039 1 14 . 1 1 8 8 VAL N N 8 131.400 131.400 128.940 2.460 17767 9040 1 14 . 1 1 8 8 VAL HA H 8 4.450 4.450 4.752 -0.302 17767 9041 1 14 . 1 1 8 8 VAL CA C 8 63.500 63.500 61.895 1.605 17767 9042 1 14 . 1 1 8 8 VAL CB C 8 32.300 32.300 33.511 -1.211 17767 9043 1 14 . 1 1 8 8 VAL H H 8 8.270 8.270 8.687 -0.416 17767 9044 1 14 . 1 1 9 9 TYR N N 9 123.300 123.300 122.455 0.845 17767 9045 1 14 . 1 1 9 9 TYR HA H 9 5.140 5.140 4.889 0.251 17767 9046 1 14 . 1 1 9 9 TYR C C 9 174.600 174.600 173.259 1.341 17767 9047 1 14 . 1 1 9 9 TYR CA C 9 56.600 56.600 56.046 0.554 17767 9048 1 14 . 1 1 9 9 TYR CB C 9 40.880 40.880 40.236 0.644 17767 9049 1 14 . 1 1 9 9 TYR H H 9 9.570 9.570 9.275 0.295 17767 9050 1 14 . 1 1 10 10 ALA N N 10 125.800 125.800 125.900 -0.100 17767 9051 1 14 . 1 1 10 10 ALA HA H 10 4.680 4.680 4.344 0.336 17767 9052 1 14 . 1 1 10 10 ALA C C 10 175.200 175.200 176.065 -0.865 17767 9053 1 14 . 1 1 10 10 ALA CA C 10 51.780 51.780 52.471 -0.691 17767 9054 1 14 . 1 1 10 10 ALA CB C 10 22.070 22.070 20.960 1.110 17767 9055 1 14 . 1 1 10 10 ALA H H 10 7.330 7.330 8.179 -0.849 17767 9056 1 14 . 1 1 11 11 GLN N N 11 118.300 118.300 118.970 -0.670 17767 9057 1 14 . 1 1 11 11 GLN HA H 11 5.370 5.370 4.539 0.831 17767 9058 1 14 . 1 1 11 11 GLN C C 11 174.700 174.700 175.254 -0.554 17767 9059 1 14 . 1 1 11 11 GLN CA C 11 54.460 54.460 55.078 -0.619 17767 9060 1 14 . 1 1 11 11 GLN CB C 11 32.870 32.870 29.440 3.430 17767 9061 1 14 . 1 1 11 11 GLN H H 11 8.700 8.700 8.434 0.266 17767 9062 1 14 . 1 1 12 12 GLU N N 12 123.800 123.800 121.113 2.687 17767 9063 1 14 . 1 1 12 12 GLU HA H 12 4.600 4.600 4.519 0.081 17767 9064 1 14 . 1 1 12 12 GLU C C 12 175.700 175.700 177.268 -1.568 17767 9065 1 14 . 1 1 12 12 GLU CA C 12 55.300 55.300 55.273 0.027 17767 9066 1 14 . 1 1 12 12 GLU CB C 12 31.760 31.760 30.862 0.898 17767 9067 1 14 . 1 1 12 12 GLU H H 12 9.130 9.130 8.428 0.702 17767 9068 1 14 . 1 1 13 13 ASN N N 13 117.550 117.550 120.812 -3.262 17767 9069 1 14 . 1 1 13 13 ASN HA H 13 4.790 4.790 4.742 0.048 17767 9070 1 14 . 1 1 13 13 ASN C C 13 175.600 175.600 175.233 0.367 17767 9071 1 14 . 1 1 13 13 ASN CA C 13 54.100 54.100 53.283 0.817 17767 9072 1 14 . 1 1 13 13 ASN CB C 13 37.100 37.100 36.869 0.231 17767 9073 1 14 . 1 1 13 13 ASN H H 13 9.130 9.130 8.916 0.214 17767 9074 1 14 . 1 1 14 14 TYR N N 14 118.280 118.280 123.604 -5.324 17767 9075 1 14 . 1 1 14 14 TYR HA H 14 4.360 4.360 4.114 0.246 17767 9076 1 14 . 1 1 14 14 TYR C C 14 176.500 176.500 176.619 -0.119 17767 9077 1 14 . 1 1 14 14 TYR CA C 14 60.590 60.590 62.909 -2.319 17767 9078 1 14 . 1 1 14 14 TYR CB C 14 39.450 39.450 38.878 0.572 17767 9079 1 14 . 1 1 14 14 TYR H H 14 7.900 7.900 8.426 -0.526 17767 9080 1 14 . 1 1 15 15 GLU N N 15 118.600 118.600 117.967 0.633 17767 9081 1 14 . 1 1 15 15 GLU HA H 15 3.550 3.550 3.968 -0.418 17767 9082 1 14 . 1 1 15 15 GLU C C 15 178.500 178.500 178.457 0.043 17767 9083 1 14 . 1 1 15 15 GLU CA C 15 61.170 61.170 59.716 1.454 17767 9084 1 14 . 1 1 15 15 GLU CB C 15 28.700 28.700 28.695 0.005 17767 9085 1 14 . 1 1 15 15 GLU H H 15 8.960 8.960 9.089 -0.129 17767 9086 1 14 . 1 1 16 16 GLU N N 16 118.800 118.800 120.181 -1.381 17767 9087 1 14 . 1 1 16 16 GLU HA H 16 3.880 3.880 4.107 -0.227 17767 9088 1 14 . 1 1 16 16 GLU C C 16 178.600 178.600 178.699 -0.099 17767 9089 1 14 . 1 1 16 16 GLU CA C 16 60.300 60.300 58.739 1.561 17767 9090 1 14 . 1 1 16 16 GLU CB C 16 28.600 28.600 29.563 -0.963 17767 9091 1 14 . 1 1 16 16 GLU H H 16 9.090 9.090 8.182 0.908 17767 9092 1 14 . 1 1 17 17 PHE N N 17 124.200 124.200 120.648 3.552 17767 9093 1 14 . 1 1 17 17 PHE HA H 17 3.960 3.960 4.225 -0.265 17767 9094 1 14 . 1 1 17 17 PHE C C 17 176.400 176.400 177.156 -0.756 17767 9095 1 14 . 1 1 17 17 PHE CA C 17 62.350 62.350 59.721 2.629 17767 9096 1 14 . 1 1 17 17 PHE CB C 17 40.380 40.380 38.873 1.507 17767 9097 1 14 . 1 1 17 17 PHE H H 17 8.410 8.410 7.869 0.541 17767 9098 1 14 . 1 1 18 18 LEU N N 18 116.400 116.400 118.837 -2.437 17767 9099 1 14 . 1 1 18 18 LEU HA H 18 3.780 3.780 3.436 0.344 17767 9100 1 14 . 1 1 18 18 LEU C C 18 178.800 178.800 178.906 -0.106 17767 9101 1 14 . 1 1 18 18 LEU CA C 18 58.240 58.240 57.738 0.502 17767 9102 1 14 . 1 1 18 18 LEU CB C 18 41.220 41.220 41.051 0.169 17767 9103 1 14 . 1 1 18 18 LEU H H 18 8.200 8.200 7.825 0.375 17767 9104 1 14 . 1 1 19 19 LYS N N 19 116.590 116.590 117.738 -1.148 17767 9105 1 14 . 1 1 19 19 LYS HA H 19 4.040 4.040 4.104 -0.064 17767 9106 1 14 . 1 1 19 19 LYS C C 19 179.800 179.800 179.520 0.280 17767 9107 1 14 . 1 1 19 19 LYS CA C 19 58.820 58.820 58.931 -0.111 17767 9108 1 14 . 1 1 19 19 LYS CB C 19 32.150 32.150 31.986 0.164 17767 9109 1 14 . 1 1 19 19 LYS H H 19 7.790 7.790 7.676 0.114 17767 9110 1 14 . 1 1 20 20 ALA N N 20 126.110 126.110 121.118 4.992 17767 9111 1 14 . 1 1 20 20 ALA HA H 20 4.160 4.160 4.193 -0.033 17767 9112 1 14 . 1 1 20 20 ALA C C 20 178.600 178.600 178.104 0.496 17767 9113 1 14 . 1 1 20 20 ALA CA C 20 55.300 55.300 54.125 1.175 17767 9114 1 14 . 1 1 20 20 ALA CB C 20 17.700 17.700 18.606 -0.906 17767 9115 1 14 . 1 1 20 20 ALA H H 20 7.990 7.990 7.567 0.423 17767 9116 1 14 . 1 1 21 21 LEU N N 21 117.110 117.110 115.837 1.273 17767 9117 1 14 . 1 1 21 21 LEU HA H 21 3.688 3.688 4.189 -0.501 17767 9118 1 14 . 1 1 21 21 LEU C C 21 176.100 176.100 176.006 0.094 17767 9119 1 14 . 1 1 21 21 LEU CA C 21 55.400 55.400 54.172 1.228 17767 9120 1 14 . 1 1 21 21 LEU CB C 21 42.700 42.700 41.640 1.060 17767 9121 1 14 . 1 1 21 21 LEU H H 21 7.380 7.380 7.028 0.352 17767 9122 1 14 . 1 1 22 22 ALA N N 22 118.800 118.800 119.243 -0.443 17767 9123 1 14 . 1 1 22 22 ALA HA H 22 3.985 3.985 4.023 -0.038 17767 9124 1 14 . 1 1 22 22 ALA C C 22 177.000 177.000 176.690 0.310 17767 9125 1 14 . 1 1 22 22 ALA CA C 22 52.370 52.370 52.590 -0.220 17767 9126 1 14 . 1 1 22 22 ALA CB C 22 15.960 15.960 16.721 -0.761 17767 9127 1 14 . 1 1 22 22 ALA H H 22 7.920 7.920 7.423 0.497 17767 9128 1 14 . 1 1 23 23 LEU N N 23 118.470 118.470 119.701 -1.231 17767 9129 1 14 . 1 1 23 23 LEU HA H 23 4.425 4.425 4.453 -0.028 17767 9130 1 14 . 1 1 23 23 LEU C C 23 174.500 174.500 174.754 -0.254 17767 9131 1 14 . 1 1 23 23 LEU CA C 23 54.130 54.130 52.432 1.698 17767 9132 1 14 . 1 1 23 23 LEU CB C 23 41.220 41.220 42.471 -1.251 17767 9133 1 14 . 1 1 23 23 LEU H H 23 6.950 6.950 7.452 -0.502 17767 9134 1 14 . 1 1 24 24 PRO HA H 24 4.475 4.475 4.495 -0.020 17767 9135 1 14 . 1 1 24 24 PRO C C 24 177.500 177.500 177.417 0.083 17767 9136 1 14 . 1 1 24 24 PRO CA C 24 62.940 62.940 62.595 0.345 17767 9137 1 14 . 1 1 24 24 PRO CB C 24 32.600 32.600 32.229 0.371 17767 9138 1 14 . 1 1 25 25 GLU N N 25 122.500 122.500 123.276 -0.776 17767 9139 1 14 . 1 1 25 25 GLU HA H 25 3.860 3.860 3.899 -0.039 17767 9140 1 14 . 1 1 25 25 GLU C C 25 177.900 177.900 177.734 0.166 17767 9141 1 14 . 1 1 25 25 GLU CA C 25 60.100 60.100 60.427 -0.327 17767 9142 1 14 . 1 1 25 25 GLU CB C 25 29.690 29.690 29.417 0.273 17767 9143 1 14 . 1 1 25 25 GLU H H 25 8.840 8.840 8.950 -0.110 17767 9144 1 14 . 1 1 26 26 ASP N N 26 117.110 117.110 116.951 0.159 17767 9145 1 14 . 1 1 26 26 ASP HA H 26 4.360 4.360 4.452 -0.092 17767 9146 1 14 . 1 1 26 26 ASP C C 26 177.900 177.900 177.701 0.199 17767 9147 1 14 . 1 1 26 26 ASP CA C 26 57.080 57.080 56.330 0.750 17767 9148 1 14 . 1 1 26 26 ASP CB C 26 40.040 40.040 40.088 -0.048 17767 9149 1 14 . 1 1 26 26 ASP H H 26 8.920 8.920 8.548 0.372 17767 9150 1 14 . 1 1 27 27 LEU N N 27 121.990 121.990 120.666 1.324 17767 9151 1 14 . 1 1 27 27 LEU HA H 27 4.270 4.270 4.317 -0.047 17767 9152 1 14 . 1 1 27 27 LEU C C 27 178.070 178.070 178.070 0.000 17767 9153 1 14 . 1 1 27 27 LEU CA C 27 57.650 57.650 57.081 0.569 17767 9154 1 14 . 1 1 27 27 LEU CB C 27 42.230 42.230 42.685 -0.455 17767 9155 1 14 . 1 1 27 27 LEU H H 27 7.220 7.220 7.418 -0.198 17767 9156 1 14 . 1 1 28 28 ILE N N 28 120.350 120.350 119.707 0.643 17767 9157 1 14 . 1 1 28 28 ILE HA H 28 3.317 3.317 3.550 -0.233 17767 9158 1 14 . 1 1 28 28 ILE C C 28 177.400 177.400 177.973 -0.573 17767 9159 1 14 . 1 1 28 28 ILE CA C 28 67.040 67.040 65.570 1.470 17767 9160 1 14 . 1 1 28 28 ILE CB C 28 37.110 37.110 37.432 -0.322 17767 9161 1 14 . 1 1 28 28 ILE H H 28 7.900 7.900 8.260 -0.360 17767 9162 1 14 . 1 1 29 29 LYS N N 29 117.110 117.110 118.293 -1.183 17767 9163 1 14 . 1 1 29 29 LYS HA H 29 3.947 3.947 4.089 -0.142 17767 9164 1 14 . 1 1 29 29 LYS C C 29 178.900 178.900 177.759 1.141 17767 9165 1 14 . 1 1 29 29 LYS CA C 29 60.000 60.000 58.991 1.009 17767 9166 1 14 . 1 1 29 29 LYS CB C 29 32.390 32.390 32.162 0.228 17767 9167 1 14 . 1 1 29 29 LYS H H 29 7.850 7.850 7.612 0.238 17767 9168 1 14 . 1 1 30 30 MET N N 30 117.110 117.110 117.009 0.101 17767 9169 1 14 . 1 1 30 30 MET HA H 30 4.320 4.320 4.513 -0.193 17767 9170 1 14 . 1 1 30 30 MET C C 30 177.500 177.500 177.995 -0.495 17767 9171 1 14 . 1 1 30 30 MET CA C 30 57.650 57.650 57.821 -0.171 17767 9172 1 14 . 1 1 30 30 MET CB C 30 32.970 32.970 33.890 -0.920 17767 9173 1 14 . 1 1 30 30 MET H H 30 7.450 7.450 7.547 -0.097 17767 9174 1 14 . 1 1 31 31 ALA N N 31 120.480 120.480 122.072 -1.592 17767 9175 1 14 . 1 1 31 31 ALA HA H 31 4.270 4.270 4.163 0.107 17767 9176 1 14 . 1 1 31 31 ALA CA C 31 53.545 53.545 54.800 -1.255 17767 9177 1 14 . 1 1 31 31 ALA CB C 31 19.290 19.290 18.452 0.838 17767 9178 1 14 . 1 1 31 31 ALA H H 31 8.420 8.420 8.606 -0.186 17767 9179 1 14 . 1 1 32 32 ARG N N 32 122.170 122.170 116.492 5.678 17767 9180 1 14 . 1 1 32 32 ARG HA H 32 4.109 4.109 4.037 0.072 17767 9181 1 14 . 1 1 32 32 ARG C C 32 176.500 176.500 176.764 -0.264 17767 9182 1 14 . 1 1 32 32 ARG CA C 32 61.170 61.170 58.585 2.585 17767 9183 1 14 . 1 1 32 32 ARG CB C 32 30.600 30.600 29.965 0.635 17767 9184 1 14 . 1 1 32 32 ARG H H 32 7.770 7.770 7.705 0.065 17767 9185 1 14 . 1 1 33 33 ASP N N 33 116.550 116.550 116.888 -0.338 17767 9186 1 14 . 1 1 33 33 ASP HA H 33 4.920 4.920 4.715 0.205 17767 9187 1 14 . 1 1 33 33 ASP C C 33 175.900 175.900 175.119 0.781 17767 9188 1 14 . 1 1 33 33 ASP CA C 33 54.130 54.130 54.064 0.066 17767 9189 1 14 . 1 1 33 33 ASP CB C 33 41.760 41.760 42.693 -0.933 17767 9190 1 14 . 1 1 33 33 ASP H H 33 8.330 8.330 7.768 0.562 17767 9191 1 14 . 1 1 34 34 ILE N N 34 120.060 120.060 120.549 -0.489 17767 9192 1 14 . 1 1 34 34 ILE HA H 34 4.120 4.120 4.200 -0.080 17767 9193 1 14 . 1 1 34 34 ILE C C 34 176.100 176.100 174.540 1.560 17767 9194 1 14 . 1 1 34 34 ILE CA C 34 61.170 61.170 61.236 -0.067 17767 9195 1 14 . 1 1 34 34 ILE CB C 34 37.860 37.860 39.147 -1.287 17767 9196 1 14 . 1 1 34 34 ILE H H 34 7.240 7.240 7.130 0.110 17767 9197 1 14 . 1 1 35 35 LYS N N 35 131.170 131.170 126.096 5.074 17767 9198 1 14 . 1 1 35 35 LYS HA H 35 4.700 4.700 4.924 -0.224 17767 9199 1 14 . 1 1 35 35 LYS C C 35 173.700 173.700 174.209 -0.509 17767 9200 1 14 . 1 1 35 35 LYS CA C 35 52.970 52.970 53.324 -0.354 17767 9201 1 14 . 1 1 35 35 LYS CB C 35 32.750 32.750 32.192 0.558 17767 9202 1 14 . 1 1 35 35 LYS H H 35 8.980 8.980 8.608 0.372 17767 9203 1 14 . 1 1 36 36 PRO HA H 36 4.510 4.510 4.366 0.144 17767 9204 1 14 . 1 1 36 36 PRO CA C 36 63.523 63.523 62.842 0.681 17767 9205 1 14 . 1 1 36 36 PRO CB C 36 32.840 32.840 32.377 0.463 17767 9206 1 14 . 1 1 37 37 ILE HA H 37 4.920 4.920 4.211 0.709 17767 9207 1 14 . 1 1 37 37 ILE C C 37 175.500 175.500 175.370 0.130 17767 9208 1 14 . 1 1 37 37 ILE CA C 37 60.588 60.588 60.269 0.319 17767 9209 1 14 . 1 1 37 37 ILE CB C 37 40.630 40.630 39.385 1.245 17767 9210 1 14 . 1 1 38 38 VAL N N 38 129.000 129.000 129.504 -0.504 17767 9211 1 14 . 1 1 38 38 VAL HA H 38 5.120 5.120 4.251 0.869 17767 9212 1 14 . 1 1 38 38 VAL C C 38 175.100 175.100 174.947 0.153 17767 9213 1 14 . 1 1 38 38 VAL CA C 38 61.176 61.176 61.789 -0.614 17767 9214 1 14 . 1 1 38 38 VAL CB C 38 34.850 34.850 32.131 2.719 17767 9215 1 14 . 1 1 38 38 VAL H H 38 9.540 9.540 9.032 0.508 17767 9216 1 14 . 1 1 39 39 GLU N N 39 128.350 128.350 129.364 -1.014 17767 9217 1 14 . 1 1 39 39 GLU HA H 39 5.440 5.440 4.587 0.853 17767 9218 1 14 . 1 1 39 39 GLU C C 39 176.000 176.000 174.701 1.299 17767 9219 1 14 . 1 1 39 39 GLU CA C 39 54.720 54.720 56.648 -1.928 17767 9220 1 14 . 1 1 39 39 GLU CB C 39 32.410 32.410 31.053 1.357 17767 9221 1 14 . 1 1 39 39 GLU H H 39 9.590 9.590 8.270 1.320 17767 9222 1 14 . 1 1 40 40 ILE N N 40 126.110 126.110 126.232 -0.122 17767 9223 1 14 . 1 1 40 40 ILE HA H 40 5.050 5.050 5.109 -0.059 17767 9224 1 14 . 1 1 40 40 ILE C C 40 175.800 175.800 173.230 2.570 17767 9225 1 14 . 1 1 40 40 ILE CA C 40 61.330 61.330 58.679 2.651 17767 9226 1 14 . 1 1 40 40 ILE CB C 40 40.160 40.160 42.359 -2.199 17767 9227 1 14 . 1 1 40 40 ILE H H 40 9.630 9.630 8.631 0.999 17767 9228 1 14 . 1 1 41 41 GLN N N 41 128.360 128.360 126.332 2.028 17767 9229 1 14 . 1 1 41 41 GLN HA H 41 4.720 4.720 4.827 -0.107 17767 9230 1 14 . 1 1 41 41 GLN C C 41 173.900 173.900 173.177 0.723 17767 9231 1 14 . 1 1 41 41 GLN CA C 41 54.940 54.940 54.156 0.784 17767 9232 1 14 . 1 1 41 41 GLN CB C 41 31.820 31.820 32.189 -0.369 17767 9233 1 14 . 1 1 41 41 GLN H H 41 9.270 9.270 8.565 0.705 17767 9234 1 14 . 1 1 42 42 GLN N N 42 126.110 126.110 121.497 4.613 17767 9235 1 14 . 1 1 42 42 GLN HA H 42 4.380 4.380 4.661 -0.281 17767 9236 1 14 . 1 1 42 42 GLN C C 42 174.700 174.700 174.932 -0.232 17767 9237 1 14 . 1 1 42 42 GLN CA C 42 54.150 54.150 53.856 0.294 17767 9238 1 14 . 1 1 42 42 GLN CB C 42 30.000 30.000 31.303 -1.303 17767 9239 1 14 . 1 1 42 42 GLN H H 42 8.250 8.250 8.267 -0.017 17767 9240 1 14 . 1 1 43 43 LYS N N 43 130.610 130.610 119.613 10.997 17767 9241 1 14 . 1 1 43 43 LYS HA H 43 4.460 4.460 4.411 0.049 17767 9242 1 14 . 1 1 43 43 LYS C C 43 176.030 176.030 175.681 0.349 17767 9243 1 14 . 1 1 43 43 LYS CA C 43 55.306 55.306 55.595 -0.289 17767 9244 1 14 . 1 1 43 43 LYS CB C 43 33.270 33.270 34.102 -0.832 17767 9245 1 14 . 1 1 43 43 LYS H H 43 8.820 8.820 8.230 0.590 17767 9246 1 14 . 1 1 44 44 GLY N N 44 117.110 117.110 109.965 7.145 17767 9247 1 14 . 1 1 44 44 GLY C C 44 174.300 174.300 173.674 0.626 17767 9248 1 14 . 1 1 44 44 GLY CA C 44 47.480 47.480 45.725 1.755 17767 9249 1 14 . 1 1 44 44 GLY H H 44 8.940 8.940 8.501 0.439 17767 9250 1 14 . 1 1 45 45 ASP N N 45 127.799 127.799 121.291 6.508 17767 9251 1 14 . 1 1 45 45 ASP HA H 45 4.870 4.870 4.849 0.021 17767 9252 1 14 . 1 1 45 45 ASP C C 45 174.700 174.700 175.446 -0.746 17767 9253 1 14 . 1 1 45 45 ASP CA C 45 54.719 54.719 54.976 -0.257 17767 9254 1 14 . 1 1 45 45 ASP CB C 45 41.270 41.270 41.972 -0.702 17767 9255 1 14 . 1 1 45 45 ASP H H 45 8.870 8.870 8.629 0.241 17767 9256 1 14 . 1 1 46 46 ASP N N 46 120.480 120.480 119.545 0.935 17767 9257 1 14 . 1 1 46 46 ASP HA H 46 5.230 5.230 5.379 -0.149 17767 9258 1 14 . 1 1 46 46 ASP C C 46 175.070 175.070 174.419 0.651 17767 9259 1 14 . 1 1 46 46 ASP CA C 46 54.132 54.132 53.559 0.573 17767 9260 1 14 . 1 1 46 46 ASP CB C 46 41.570 41.570 41.859 -0.290 17767 9261 1 14 . 1 1 46 46 ASP H H 46 8.060 8.060 7.735 0.325 17767 9262 1 14 . 1 1 47 47 PHE N N 47 122.730 122.730 119.671 3.059 17767 9263 1 14 . 1 1 47 47 PHE HA H 47 5.090 5.090 5.036 0.054 17767 9264 1 14 . 1 1 47 47 PHE C C 47 176.400 176.400 174.673 1.727 17767 9265 1 14 . 1 1 47 47 PHE CA C 47 56.420 56.420 55.416 1.004 17767 9266 1 14 . 1 1 47 47 PHE CB C 47 44.150 44.150 42.976 1.174 17767 9267 1 14 . 1 1 47 47 PHE H H 47 9.296 9.296 8.964 0.332 17767 9268 1 14 . 1 1 48 48 VAL N N 48 121.690 121.690 121.617 0.073 17767 9269 1 14 . 1 1 48 48 VAL HA H 48 4.500 4.500 4.415 0.085 17767 9270 1 14 . 1 1 48 48 VAL C C 48 175.700 175.700 174.572 1.128 17767 9271 1 14 . 1 1 48 48 VAL CA C 48 62.930 62.930 61.626 1.304 17767 9272 1 14 . 1 1 48 48 VAL CB C 48 34.670 34.670 33.490 1.180 17767 9273 1 14 . 1 1 48 48 VAL H H 48 8.520 8.520 9.164 -0.643 17767 9274 1 14 . 1 1 49 49 VAL N N 49 127.200 127.200 129.772 -2.572 17767 9275 1 14 . 1 1 49 49 VAL HA H 49 5.250 5.250 4.595 0.655 17767 9276 1 14 . 1 1 49 49 VAL C C 49 175.700 175.700 175.465 0.235 17767 9277 1 14 . 1 1 49 49 VAL CA C 49 61.180 61.180 61.845 -0.665 17767 9278 1 14 . 1 1 49 49 VAL CB C 49 34.660 34.660 32.939 1.721 17767 9279 1 14 . 1 1 49 49 VAL H H 49 9.330 9.330 9.399 -0.069 17767 9280 1 14 . 1 1 50 50 THR N N 50 128.500 128.500 125.766 2.734 17767 9281 1 14 . 1 1 50 50 THR HA H 50 5.430 5.430 4.916 0.514 17767 9282 1 14 . 1 1 50 50 THR C C 50 173.810 173.810 173.659 0.151 17767 9283 1 14 . 1 1 50 50 THR CA C 50 61.530 61.530 61.330 0.200 17767 9284 1 14 . 1 1 50 50 THR CB C 50 70.760 70.760 68.917 1.843 17767 9285 1 14 . 1 1 50 50 THR H H 50 9.730 9.730 9.429 0.301 17767 9286 1 14 . 1 1 51 51 SER N N 51 122.730 122.730 123.355 -0.625 17767 9287 1 14 . 1 1 51 51 SER HA H 51 5.430 5.430 4.681 0.749 17767 9288 1 14 . 1 1 51 51 SER C C 51 173.800 173.800 174.260 -0.460 17767 9289 1 14 . 1 1 51 51 SER CA C 51 57.060 57.060 57.409 -0.349 17767 9290 1 14 . 1 1 51 51 SER CB C 51 64.550 64.550 62.594 1.956 17767 9291 1 14 . 1 1 51 51 SER H H 51 9.190 9.190 8.718 0.472 17767 9292 1 14 . 1 1 52 52 LYS N N 52 125.550 125.550 128.550 -3.000 17767 9293 1 14 . 1 1 52 52 LYS HA H 52 5.310 5.310 4.500 0.810 17767 9294 1 14 . 1 1 52 52 LYS C C 52 175.900 175.900 175.902 -0.002 17767 9295 1 14 . 1 1 52 52 LYS CA C 52 56.120 56.120 56.471 -0.351 17767 9296 1 14 . 1 1 52 52 LYS CB C 52 36.130 36.130 33.858 2.272 17767 9297 1 14 . 1 1 52 52 LYS H H 52 9.490 9.490 8.154 1.336 17767 9298 1 14 . 1 1 53 53 THR N N 53 115.980 115.980 115.307 0.673 17767 9299 1 14 . 1 1 53 53 THR HA H 53 5.024 5.024 4.777 0.247 17767 9300 1 14 . 1 1 53 53 THR C C 53 173.400 173.400 173.734 -0.334 17767 9301 1 14 . 1 1 53 53 THR CA C 53 59.140 59.140 58.821 0.319 17767 9302 1 14 . 1 1 53 53 THR CB C 53 69.300 69.300 70.312 -1.012 17767 9303 1 14 . 1 1 53 53 THR H H 53 8.760 8.760 7.927 0.833 17767 9304 1 14 . 1 1 54 54 PRO HA H 54 4.350 4.350 4.578 -0.228 17767 9305 1 14 . 1 1 54 54 PRO C C 54 177.200 177.200 176.208 0.992 17767 9306 1 14 . 1 1 54 54 PRO CA C 54 66.458 66.458 63.614 2.844 17767 9307 1 14 . 1 1 54 54 PRO CB C 54 32.400 32.400 31.231 1.169 17767 9308 1 14 . 1 1 55 55 ARG N N 55 111.480 111.480 116.819 -5.339 17767 9309 1 14 . 1 1 55 55 ARG HA H 55 4.510 4.510 4.412 0.098 17767 9310 1 14 . 1 1 55 55 ARG C C 55 175.800 175.800 175.452 0.348 17767 9311 1 14 . 1 1 55 55 ARG CA C 55 55.893 55.893 56.587 -0.694 17767 9312 1 14 . 1 1 55 55 ARG CB C 55 32.520 32.520 32.437 0.083 17767 9313 1 14 . 1 1 55 55 ARG H H 55 8.010 8.010 8.061 -0.051 17767 9314 1 14 . 1 1 56 56 GLN N N 56 118.230 118.230 120.145 -1.915 17767 9315 1 14 . 1 1 56 56 GLN HA H 56 4.830 4.830 4.557 0.273 17767 9316 1 14 . 1 1 56 56 GLN C C 56 174.200 174.200 174.412 -0.212 17767 9317 1 14 . 1 1 56 56 GLN CA C 56 55.610 55.610 55.113 0.497 17767 9318 1 14 . 1 1 56 56 GLN CB C 56 32.880 32.880 30.825 2.055 17767 9319 1 14 . 1 1 56 56 GLN H H 56 7.530 7.530 8.116 -0.586 17767 9320 1 14 . 1 1 57 57 THR N N 57 120.480 120.480 122.591 -2.111 17767 9321 1 14 . 1 1 57 57 THR HA H 57 5.330 5.330 4.845 0.485 17767 9322 1 14 . 1 1 57 57 THR C C 57 174.000 174.000 174.641 -0.641 17767 9323 1 14 . 1 1 57 57 THR CA C 57 61.760 61.760 61.771 -0.011 17767 9324 1 14 . 1 1 57 57 THR CB C 57 71.500 71.500 69.469 2.031 17767 9325 1 14 . 1 1 57 57 THR H H 57 8.610 8.610 8.558 0.052 17767 9326 1 14 . 1 1 58 58 VAL N N 58 125.200 125.200 124.813 0.387 17767 9327 1 14 . 1 1 58 58 VAL HA H 58 4.540 4.540 4.665 -0.125 17767 9328 1 14 . 1 1 58 58 VAL C C 58 174.400 174.400 174.263 0.137 17767 9329 1 14 . 1 1 58 58 VAL CA C 58 61.170 61.170 59.082 2.088 17767 9330 1 14 . 1 1 58 58 VAL CB C 58 35.560 35.560 35.454 0.106 17767 9331 1 14 . 1 1 58 58 VAL H H 58 8.830 8.830 8.397 0.433 17767 9332 1 14 . 1 1 59 59 THR N N 59 125.500 125.500 118.320 7.180 17767 9333 1 14 . 1 1 59 59 THR HA H 59 5.260 5.260 4.982 0.278 17767 9334 1 14 . 1 1 59 59 THR C C 59 173.400 173.400 173.737 -0.337 17767 9335 1 14 . 1 1 59 59 THR CA C 59 61.980 61.980 61.331 0.649 17767 9336 1 14 . 1 1 59 59 THR CB C 59 71.150 71.150 70.358 0.793 17767 9337 1 14 . 1 1 59 59 THR H H 59 8.870 8.870 8.293 0.577 17767 9338 1 14 . 1 1 60 60 ASN N N 60 124.700 124.700 126.299 -1.599 17767 9339 1 14 . 1 1 60 60 ASN HA H 60 5.270 5.270 5.069 0.201 17767 9340 1 14 . 1 1 60 60 ASN C C 60 173.300 173.300 173.779 -0.479 17767 9341 1 14 . 1 1 60 60 ASN CA C 60 53.000 53.000 52.639 0.361 17767 9342 1 14 . 1 1 60 60 ASN CB C 60 44.700 44.700 41.764 2.936 17767 9343 1 14 . 1 1 60 60 ASN H H 60 9.180 9.180 9.245 -0.065 17767 9344 1 14 . 1 1 61 61 SER N N 61 115.980 115.980 118.271 -2.291 17767 9345 1 14 . 1 1 61 61 SER HA H 61 5.430 5.430 5.447 -0.017 17767 9346 1 14 . 1 1 61 61 SER C C 61 173.300 173.300 173.408 -0.108 17767 9347 1 14 . 1 1 61 61 SER CA C 61 57.060 57.060 56.731 0.329 17767 9348 1 14 . 1 1 61 61 SER CB C 61 65.590 65.590 66.003 -0.413 17767 9349 1 14 . 1 1 61 61 SER H H 61 8.840 8.840 8.740 0.100 17767 9350 1 14 . 1 1 62 62 PHE N N 62 117.670 117.670 117.535 0.135 17767 9351 1 14 . 1 1 62 62 PHE HA H 62 5.020 5.020 5.051 -0.031 17767 9352 1 14 . 1 1 62 62 PHE C C 62 173.100 173.100 173.527 -0.427 17767 9353 1 14 . 1 1 62 62 PHE CA C 62 56.590 56.590 56.486 0.103 17767 9354 1 14 . 1 1 62 62 PHE CB C 62 40.030 40.030 40.712 -0.682 17767 9355 1 14 . 1 1 62 62 PHE H H 62 8.235 8.235 8.588 -0.353 17767 9356 1 14 . 1 1 63 63 THR N N 63 119.920 119.920 116.220 3.700 17767 9357 1 14 . 1 1 63 63 THR HA H 63 5.500 5.500 5.153 0.347 17767 9358 1 14 . 1 1 63 63 THR C C 63 175.600 175.600 174.480 1.120 17767 9359 1 14 . 1 1 63 63 THR CA C 63 61.170 61.170 61.241 -0.071 17767 9360 1 14 . 1 1 63 63 THR CB C 63 72.320 72.320 70.855 1.465 17767 9361 1 14 . 1 1 63 63 THR H H 63 9.650 9.650 8.873 0.777 17767 9362 1 14 . 1 1 64 64 LEU N N 64 126.300 126.300 127.882 -1.582 17767 9363 1 14 . 1 1 64 64 LEU HA H 64 4.430 4.430 3.963 0.467 17767 9364 1 14 . 1 1 64 64 LEU C C 64 178.000 178.000 178.501 -0.501 17767 9365 1 14 . 1 1 64 64 LEU CA C 64 56.100 56.100 56.125 -0.025 17767 9366 1 14 . 1 1 64 64 LEU CB C 64 41.330 41.330 40.771 0.559 17767 9367 1 14 . 1 1 64 64 LEU H H 64 9.280 9.280 9.020 0.260 17767 9368 1 14 . 1 1 65 65 GLY N N 65 107.520 107.520 112.557 -5.037 17767 9369 1 14 . 1 1 65 65 GLY C C 65 173.800 173.800 173.457 0.343 17767 9370 1 14 . 1 1 65 65 GLY CA C 65 45.780 45.780 45.086 0.695 17767 9371 1 14 . 1 1 65 65 GLY H H 65 9.110 9.110 9.119 -0.009 17767 9372 1 14 . 1 1 66 66 LYS N N 66 121.600 121.600 120.259 1.341 17767 9373 1 14 . 1 1 66 66 LYS HA H 66 4.780 4.780 4.588 0.192 17767 9374 1 14 . 1 1 66 66 LYS C C 66 175.600 175.600 175.283 0.317 17767 9375 1 14 . 1 1 66 66 LYS CA C 66 54.100 54.100 54.632 -0.532 17767 9376 1 14 . 1 1 66 66 LYS CB C 66 34.620 34.620 35.598 -0.978 17767 9377 1 14 . 1 1 66 66 LYS H H 66 7.910 7.910 7.907 0.003 17767 9378 1 14 . 1 1 67 67 GLU N N 67 129.400 129.400 122.438 6.962 17767 9379 1 14 . 1 1 67 67 GLU HA H 67 4.070 4.070 4.235 -0.165 17767 9380 1 14 . 1 1 67 67 GLU C C 67 175.030 175.030 174.932 0.098 17767 9381 1 14 . 1 1 67 67 GLU CA C 67 59.220 59.220 56.532 2.688 17767 9382 1 14 . 1 1 67 67 GLU CB C 67 30.400 30.400 30.153 0.247 17767 9383 1 14 . 1 1 67 67 GLU H H 67 8.940 8.940 8.716 0.224 17767 9384 1 14 . 1 1 68 68 ALA N N 68 130.940 130.940 128.950 1.990 17767 9385 1 14 . 1 1 68 68 ALA HA H 68 4.900 4.900 4.682 0.218 17767 9386 1 14 . 1 1 68 68 ALA C C 68 176.000 176.000 175.627 0.373 17767 9387 1 14 . 1 1 68 68 ALA CA C 68 51.000 51.000 51.092 -0.092 17767 9388 1 14 . 1 1 68 68 ALA CB C 68 22.440 22.440 22.518 -0.078 17767 9389 1 14 . 1 1 68 68 ALA H H 68 8.660 8.660 8.085 0.575 17767 9390 1 14 . 1 1 69 69 ASP N N 69 120.500 120.500 124.784 -4.284 17767 9391 1 14 . 1 1 69 69 ASP HA H 69 5.000 5.000 4.830 0.171 17767 9392 1 14 . 1 1 69 69 ASP C C 69 174.400 174.400 176.273 -1.873 17767 9393 1 14 . 1 1 69 69 ASP CA C 69 54.670 54.670 54.926 -0.257 17767 9394 1 14 . 1 1 69 69 ASP CB C 69 41.930 41.930 41.068 0.862 17767 9395 1 14 . 1 1 69 69 ASP H H 69 8.330 8.330 8.687 -0.357 17767 9396 1 14 . 1 1 70 70 ILE N N 70 125.540 125.540 122.876 2.664 17767 9397 1 14 . 1 1 70 70 ILE HA H 70 4.510 4.510 4.601 -0.091 17767 9398 1 14 . 1 1 70 70 ILE C C 70 175.300 175.300 174.427 0.873 17767 9399 1 14 . 1 1 70 70 ILE CA C 70 57.690 57.690 59.430 -1.740 17767 9400 1 14 . 1 1 70 70 ILE CB C 70 40.040 40.040 40.292 -0.252 17767 9401 1 14 . 1 1 70 70 ILE H H 70 8.850 8.850 8.201 0.649 17767 9402 1 14 . 1 1 71 71 THR N N 71 123.860 123.860 117.862 5.998 17767 9403 1 14 . 1 1 71 71 THR HA H 71 5.240 5.240 4.829 0.411 17767 9404 1 14 . 1 1 71 71 THR C C 71 174.600 174.600 174.022 0.578 17767 9405 1 14 . 1 1 71 71 THR CA C 71 61.610 61.610 61.511 0.099 17767 9406 1 14 . 1 1 71 71 THR CB C 71 70.370 70.370 70.878 -0.508 17767 9407 1 14 . 1 1 71 71 THR H H 71 9.460 9.460 8.093 1.367 17767 9408 1 14 . 1 1 72 72 THR N N 72 115.980 115.980 119.470 -3.490 17767 9409 1 14 . 1 1 72 72 THR HA H 72 4.550 4.550 4.593 -0.043 17767 9410 1 14 . 1 1 72 72 THR C C 72 177.300 177.300 176.358 0.942 17767 9411 1 14 . 1 1 72 72 THR CA C 72 60.550 60.550 60.357 0.193 17767 9412 1 14 . 1 1 72 72 THR CB C 72 70.710 70.710 70.143 0.567 17767 9413 1 14 . 1 1 72 72 THR H H 72 8.700 8.700 8.247 0.453 17767 9414 1 14 . 1 1 73 73 MET N N 73 119.830 119.830 116.911 2.919 17767 9415 1 14 . 1 1 73 73 MET HA H 73 4.110 4.110 4.666 -0.556 17767 9416 1 14 . 1 1 73 73 MET C C 73 176.200 176.200 175.449 0.751 17767 9417 1 14 . 1 1 73 73 MET CA C 73 58.900 58.900 57.230 1.670 17767 9418 1 14 . 1 1 73 73 MET CB C 73 34.760 34.760 31.953 2.807 17767 9419 1 14 . 1 1 73 73 MET H H 73 10.360 10.360 8.679 1.681 17767 9420 1 14 . 1 1 74 74 ASP N N 74 112.220 112.220 119.355 -7.135 17767 9421 1 14 . 1 1 74 74 ASP HA H 74 4.800 4.800 4.630 0.170 17767 9422 1 14 . 1 1 74 74 ASP C C 74 175.600 175.600 176.609 -1.009 17767 9423 1 14 . 1 1 74 74 ASP CA C 74 52.630 52.630 54.511 -1.881 17767 9424 1 14 . 1 1 74 74 ASP CB C 74 38.870 38.870 40.939 -2.069 17767 9425 1 14 . 1 1 74 74 ASP H H 74 8.680 8.680 7.487 1.193 17767 9426 1 14 . 1 1 75 75 GLY N N 75 108.040 108.040 106.839 1.201 17767 9427 1 14 . 1 1 75 75 GLY C C 75 175.000 175.000 173.909 1.091 17767 9428 1 14 . 1 1 75 75 GLY CA C 75 46.400 46.400 45.582 0.818 17767 9429 1 14 . 1 1 75 75 GLY H H 75 7.600 7.600 7.637 -0.037 17767 9430 1 14 . 1 1 76 76 LYS N N 76 120.500 120.500 120.231 0.269 17767 9431 1 14 . 1 1 76 76 LYS HA H 76 4.440 4.440 4.547 -0.107 17767 9432 1 14 . 1 1 76 76 LYS C C 76 175.400 175.400 175.529 -0.129 17767 9433 1 14 . 1 1 76 76 LYS CA C 76 55.240 55.240 54.489 0.751 17767 9434 1 14 . 1 1 76 76 LYS CB C 76 33.500 33.500 34.141 -0.641 17767 9435 1 14 . 1 1 76 76 LYS H H 76 8.260 8.260 7.772 0.488 17767 9436 1 14 . 1 1 77 77 LYS N N 77 119.300 119.300 125.177 -5.877 17767 9437 1 14 . 1 1 77 77 LYS HA H 77 5.370 5.370 4.518 0.852 17767 9438 1 14 . 1 1 77 77 LYS C C 77 176.100 176.100 176.152 -0.052 17767 9439 1 14 . 1 1 77 77 LYS CA C 77 54.360 54.360 55.352 -0.992 17767 9440 1 14 . 1 1 77 77 LYS CB C 77 32.840 32.840 31.728 1.112 17767 9441 1 14 . 1 1 77 77 LYS H H 77 8.130 8.130 8.580 -0.450 17767 9442 1 14 . 1 1 78 78 LEU N N 78 123.860 123.860 125.091 -1.231 17767 9443 1 14 . 1 1 78 78 LEU HA H 78 4.910 4.910 4.882 0.028 17767 9444 1 14 . 1 1 78 78 LEU C C 78 175.600 175.600 175.539 0.061 17767 9445 1 14 . 1 1 78 78 LEU CA C 78 53.170 53.170 54.031 -0.861 17767 9446 1 14 . 1 1 78 78 LEU CB C 78 45.780 45.780 46.025 -0.245 17767 9447 1 14 . 1 1 78 78 LEU H H 78 9.028 9.028 8.080 0.948 17767 9448 1 14 . 1 1 79 79 LYS N N 79 119.280 119.280 120.946 -1.666 17767 9449 1 14 . 1 1 79 79 LYS HA H 79 5.615 5.615 5.002 0.613 17767 9450 1 14 . 1 1 79 79 LYS C C 79 176.600 176.600 175.853 0.747 17767 9451 1 14 . 1 1 79 79 LYS CA C 79 55.000 55.000 55.631 -0.631 17767 9452 1 14 . 1 1 79 79 LYS CB C 79 36.850 36.850 33.175 3.675 17767 9453 1 14 . 1 1 79 79 LYS H H 79 8.240 8.240 8.405 -0.165 17767 9454 1 14 . 1 1 80 80 CYS N N 80 115.980 115.980 126.488 -10.508 17767 9455 1 14 . 1 1 80 80 CYS HA H 80 4.700 4.700 4.743 -0.043 17767 9456 1 14 . 1 1 80 80 CYS C C 80 173.500 173.500 175.242 -1.742 17767 9457 1 14 . 1 1 80 80 CYS CA C 80 56.500 56.500 58.013 -1.513 17767 9458 1 14 . 1 1 80 80 CYS CB C 80 45.700 45.700 26.802 18.898 17767 9459 1 14 . 1 1 80 80 CYS H H 80 8.306 8.306 8.603 -0.297 17767 9460 1 14 . 1 1 81 81 THR N N 81 122.000 122.000 126.774 -4.774 17767 9461 1 14 . 1 1 81 81 THR HA H 81 4.303 4.303 4.457 -0.154 17767 9462 1 14 . 1 1 81 81 THR C C 81 173.100 173.100 174.035 -0.935 17767 9463 1 14 . 1 1 81 81 THR CA C 81 62.460 62.460 62.078 0.382 17767 9464 1 14 . 1 1 81 81 THR CB C 81 68.200 68.200 67.779 0.421 17767 9465 1 14 . 1 1 81 81 THR H H 81 8.840 8.840 8.724 0.116 17767 9466 1 14 . 1 1 82 82 VAL N N 82 132.160 132.160 125.906 6.254 17767 9467 1 14 . 1 1 82 82 VAL HA H 82 4.449 4.449 4.434 0.015 17767 9468 1 14 . 1 1 82 82 VAL C C 82 175.100 175.100 175.223 -0.123 17767 9469 1 14 . 1 1 82 82 VAL CA C 82 61.760 61.760 61.760 0.000 17767 9470 1 14 . 1 1 82 82 VAL CB C 82 31.200 31.200 31.677 -0.477 17767 9471 1 14 . 1 1 82 82 VAL H H 82 9.520 9.520 7.799 1.721 17767 9472 1 14 . 1 1 83 83 HIS N N 83 123.860 123.860 122.437 1.423 17767 9473 1 14 . 1 1 83 83 HIS HA H 83 5.009 5.009 4.877 0.132 17767 9474 1 14 . 1 1 83 83 HIS C C 83 173.500 173.500 172.632 0.868 17767 9475 1 14 . 1 1 83 83 HIS CA C 83 55.300 55.300 53.994 1.306 17767 9476 1 14 . 1 1 83 83 HIS CB C 83 33.400 33.400 32.693 0.707 17767 9477 1 14 . 1 1 83 83 HIS H H 83 8.740 8.740 9.088 -0.348 17767 9478 1 14 . 1 1 84 84 LEU N N 84 121.600 121.600 124.522 -2.922 17767 9479 1 14 . 1 1 84 84 LEU HA H 84 5.420 5.420 4.868 0.552 17767 9480 1 14 . 1 1 84 84 LEU C C 84 176.500 176.500 175.510 0.990 17767 9481 1 14 . 1 1 84 84 LEU CA C 84 53.790 53.790 54.099 -0.309 17767 9482 1 14 . 1 1 84 84 LEU CB C 84 44.740 44.740 43.004 1.736 17767 9483 1 14 . 1 1 84 84 LEU H H 84 8.850 8.850 8.447 0.403 17767 9484 1 14 . 1 1 85 85 ALA N N 85 128.800 128.800 130.411 -1.611 17767 9485 1 14 . 1 1 85 85 ALA HA H 85 4.750 4.750 4.631 0.119 17767 9486 1 14 . 1 1 85 85 ALA C C 85 177.000 177.000 176.627 0.373 17767 9487 1 14 . 1 1 85 85 ALA CA C 85 51.480 51.480 51.088 0.392 17767 9488 1 14 . 1 1 85 85 ALA CB C 85 20.910 20.910 20.936 -0.026 17767 9489 1 14 . 1 1 85 85 ALA H H 85 9.230 9.230 8.916 0.314 17767 9490 1 14 . 1 1 86 86 ASN HA H 86 4.430 4.430 4.397 0.033 17767 9491 1 14 . 1 1 86 86 ASN C C 86 175.400 175.400 175.429 -0.029 17767 9492 1 14 . 1 1 86 86 ASN CA C 86 54.140 54.140 53.888 0.252 17767 9493 1 14 . 1 1 86 86 ASN CB C 86 37.550 37.550 36.835 0.715 17767 9494 1 14 . 1 1 87 87 GLY N N 87 103.430 103.430 102.890 0.540 17767 9495 1 14 . 1 1 87 87 GLY C C 87 173.800 173.800 174.091 -0.291 17767 9496 1 14 . 1 1 87 87 GLY CA C 87 45.670 45.670 45.359 0.311 17767 9497 1 14 . 1 1 87 87 GLY H H 87 8.620 8.620 8.703 -0.083 17767 9498 1 14 . 1 1 88 88 LYS N N 88 120.490 120.490 120.176 0.314 17767 9499 1 14 . 1 1 88 88 LYS HA H 88 5.120 5.120 4.766 0.354 17767 9500 1 14 . 1 1 88 88 LYS C C 88 175.500 175.500 174.691 0.809 17767 9501 1 14 . 1 1 88 88 LYS CA C 88 55.140 55.140 54.606 0.534 17767 9502 1 14 . 1 1 88 88 LYS CB C 88 34.610 34.610 35.009 -0.399 17767 9503 1 14 . 1 1 88 88 LYS H H 88 7.880 7.880 7.639 0.241 17767 9504 1 14 . 1 1 89 89 LEU N N 89 124.420 124.420 124.817 -0.397 17767 9505 1 14 . 1 1 89 89 LEU HA H 89 4.730 4.730 4.326 0.404 17767 9506 1 14 . 1 1 89 89 LEU C C 89 176.700 176.700 175.166 1.534 17767 9507 1 14 . 1 1 89 89 LEU CA C 89 54.500 54.500 53.806 0.694 17767 9508 1 14 . 1 1 89 89 LEU CB C 89 44.150 44.150 42.205 1.945 17767 9509 1 14 . 1 1 89 89 LEU H H 89 8.780 8.780 8.430 0.350 17767 9510 1 14 . 1 1 90 90 VAL N N 90 122.500 122.500 124.021 -1.521 17767 9511 1 14 . 1 1 90 90 VAL HA H 90 5.420 5.420 4.310 1.110 17767 9512 1 14 . 1 1 90 90 VAL C C 90 175.200 175.200 173.789 1.411 17767 9513 1 14 . 1 1 90 90 VAL CA C 90 60.350 60.350 60.320 0.030 17767 9514 1 14 . 1 1 90 90 VAL CB C 90 35.930 35.930 34.754 1.177 17767 9515 1 14 . 1 1 90 90 VAL H H 90 9.050 9.050 8.687 0.363 17767 9516 1 14 . 1 1 91 91 CYS N N 91 123.100 123.100 127.184 -4.084 17767 9517 1 14 . 1 1 91 91 CYS HA H 91 5.370 5.370 5.163 0.207 17767 9518 1 14 . 1 1 91 91 CYS C C 91 172.700 172.700 173.203 -0.503 17767 9519 1 14 . 1 1 91 91 CYS CA C 91 55.230 55.230 57.426 -2.196 17767 9520 1 14 . 1 1 91 91 CYS CB C 91 42.970 42.970 28.404 14.566 17767 9521 1 14 . 1 1 91 91 CYS H H 91 8.820 8.820 8.608 0.212 17767 9522 1 14 . 1 1 92 92 LYS N N 92 128.900 128.900 128.921 -0.021 17767 9523 1 14 . 1 1 92 92 LYS HA H 92 5.000 5.000 5.064 -0.064 17767 9524 1 14 . 1 1 92 92 LYS C C 92 174.270 174.270 175.194 -0.924 17767 9525 1 14 . 1 1 92 92 LYS CA C 92 55.360 55.360 54.863 0.497 17767 9526 1 14 . 1 1 92 92 LYS CB C 92 35.960 35.960 34.970 0.990 17767 9527 1 14 . 1 1 92 92 LYS H H 92 9.450 9.450 8.544 0.906 17767 9528 1 14 . 1 1 93 93 SER N N 93 119.300 119.300 120.938 -1.638 17767 9529 1 14 . 1 1 93 93 SER HA H 93 4.710 4.710 4.877 -0.167 17767 9530 1 14 . 1 1 93 93 SER C C 93 174.200 174.200 174.693 -0.493 17767 9531 1 14 . 1 1 93 93 SER CA C 93 55.430 55.430 57.015 -1.585 17767 9532 1 14 . 1 1 93 93 SER CB C 93 66.460 66.460 65.871 0.589 17767 9533 1 14 . 1 1 93 93 SER H H 93 8.620 8.620 8.840 -0.220 17767 9534 1 14 . 1 1 94 94 GLU N N 94 119.900 119.900 119.906 -0.006 17767 9535 1 14 . 1 1 94 94 GLU HA H 94 4.090 4.090 4.206 -0.116 17767 9536 1 14 . 1 1 94 94 GLU C C 94 177.600 177.600 177.359 0.241 17767 9537 1 14 . 1 1 94 94 GLU CA C 94 59.440 59.440 58.525 0.915 17767 9538 1 14 . 1 1 94 94 GLU CB C 94 29.360 29.360 30.041 -0.681 17767 9539 1 14 . 1 1 94 94 GLU H H 94 8.670 8.670 8.673 -0.003 17767 9540 1 14 . 1 1 95 95 LYS N N 95 113.500 113.500 118.060 -4.560 17767 9541 1 14 . 1 1 95 95 LYS HA H 95 4.430 4.430 4.097 0.333 17767 9542 1 14 . 1 1 95 95 LYS C C 95 175.980 175.980 175.119 0.861 17767 9543 1 14 . 1 1 95 95 LYS CA C 95 56.180 56.180 56.291 -0.111 17767 9544 1 14 . 1 1 95 95 LYS CB C 95 35.220 35.220 32.683 2.537 17767 9545 1 14 . 1 1 95 95 LYS H H 95 8.300 8.300 7.836 0.464 17767 9546 1 14 . 1 1 96 96 PHE N N 96 113.270 113.270 117.034 -3.764 17767 9547 1 14 . 1 1 96 96 PHE HA H 96 5.860 5.860 4.411 1.449 17767 9548 1 14 . 1 1 96 96 PHE C C 96 173.900 173.900 174.201 -0.301 17767 9549 1 14 . 1 1 96 96 PHE CA C 96 55.890 55.890 56.236 -0.346 17767 9550 1 14 . 1 1 96 96 PHE CB C 96 43.560 43.560 41.045 2.515 17767 9551 1 14 . 1 1 96 96 PHE H H 96 7.000 7.000 7.339 -0.339 17767 9552 1 14 . 1 1 97 97 SER N N 97 112.050 112.050 112.947 -0.897 17767 9553 1 14 . 1 1 97 97 SER HA H 97 5.220 5.220 4.806 0.414 17767 9554 1 14 . 1 1 97 97 SER C C 97 172.560 172.560 172.703 -0.143 17767 9555 1 14 . 1 1 97 97 SER CA C 97 57.870 57.870 58.176 -0.306 17767 9556 1 14 . 1 1 97 97 SER CB C 97 65.990 65.990 65.470 0.520 17767 9557 1 14 . 1 1 97 97 SER H H 97 8.790 8.790 8.835 -0.045 17767 9558 1 14 . 1 1 98 98 HIS N N 98 126.300 126.300 124.383 1.917 17767 9559 1 14 . 1 1 98 98 HIS HA H 98 5.190 5.190 5.061 0.129 17767 9560 1 14 . 1 1 98 98 HIS C C 98 174.500 174.500 173.681 0.819 17767 9561 1 14 . 1 1 98 98 HIS CA C 98 56.260 56.260 54.563 1.697 17767 9562 1 14 . 1 1 98 98 HIS CB C 98 36.270 36.270 33.059 3.211 17767 9563 1 14 . 1 1 98 98 HIS H H 98 9.190 9.190 9.086 0.104 17767 9564 1 14 . 1 1 99 99 GLU N N 99 126.670 126.670 128.009 -1.339 17767 9565 1 14 . 1 1 99 99 GLU HA H 99 5.390 5.390 4.802 0.588 17767 9566 1 14 . 1 1 99 99 GLU C C 99 175.400 175.400 174.634 0.766 17767 9567 1 14 . 1 1 99 99 GLU CA C 99 55.000 55.000 55.176 -0.176 17767 9568 1 14 . 1 1 99 99 GLU CB C 99 34.000 34.000 32.238 1.762 17767 9569 1 14 . 1 1 99 99 GLU H H 99 8.350 8.350 9.398 -1.048 17767 9570 1 14 . 1 1 101 101 GLU N N 101 125.500 125.500 122.328 3.172 17767 9571 1 14 . 1 1 101 101 GLU HA H 101 5.160 5.160 4.611 0.549 17767 9572 1 14 . 1 1 101 101 GLU CA C 101 54.090 54.090 55.288 -1.198 17767 9573 1 14 . 1 1 101 101 GLU CB C 101 34.800 34.800 33.355 1.445 17767 9574 1 14 . 1 1 101 101 GLU H H 101 8.900 8.900 8.582 0.318 17767 9575 1 14 . 1 1 102 102 VAL N N 102 124.420 124.420 124.571 -0.151 17767 9576 1 14 . 1 1 102 102 VAL HA H 102 4.630 4.630 4.366 0.264 17767 9577 1 14 . 1 1 102 102 VAL C C 102 175.200 175.200 175.692 -0.492 17767 9578 1 14 . 1 1 102 102 VAL CA C 102 61.380 61.380 61.383 -0.003 17767 9579 1 14 . 1 1 102 102 VAL CB C 102 34.100 34.100 33.358 0.742 17767 9580 1 14 . 1 1 102 102 VAL H H 102 8.790 8.790 8.540 0.250 17767 9581 1 14 . 1 1 103 103 LYS N N 103 129.480 129.480 129.152 0.328 17767 9582 1 14 . 1 1 103 103 LYS HA H 103 4.570 4.570 4.604 -0.034 17767 9583 1 14 . 1 1 103 103 LYS C C 103 176.500 176.500 176.935 -0.435 17767 9584 1 14 . 1 1 103 103 LYS CA C 103 55.340 55.340 54.984 0.356 17767 9585 1 14 . 1 1 103 103 LYS CB C 103 33.760 33.760 32.306 1.454 17767 9586 1 14 . 1 1 103 103 LYS H H 103 8.950 8.950 9.122 -0.172 17767 9587 1 14 . 1 1 104 104 GLY N N 104 116.700 116.700 116.748 -0.048 17767 9588 1 14 . 1 1 104 104 GLY C C 104 174.500 174.500 174.745 -0.245 17767 9589 1 14 . 1 1 104 104 GLY CA C 104 47.680 47.680 47.208 0.472 17767 9590 1 14 . 1 1 104 104 GLY H H 104 9.140 9.140 8.788 0.352 17767 9591 1 14 . 1 1 105 105 ASN N N 105 125.540 125.540 122.153 3.387 17767 9592 1 14 . 1 1 105 105 ASN HA H 105 5.000 5.000 4.939 0.061 17767 9593 1 14 . 1 1 105 105 ASN CA C 105 53.130 53.130 52.845 0.285 17767 9594 1 14 . 1 1 105 105 ASN CB C 105 39.060 39.060 39.858 -0.798 17767 9595 1 14 . 1 1 105 105 ASN H H 105 9.030 9.030 8.457 0.573 17767 9596 1 14 . 1 1 106 106 GLU N N 106 120.480 120.480 120.993 -0.513 17767 9597 1 14 . 1 1 106 106 GLU HA H 106 5.550 5.550 5.147 0.403 17767 9598 1 14 . 1 1 106 106 GLU CA C 106 55.550 55.550 55.532 0.018 17767 9599 1 14 . 1 1 106 106 GLU CB C 106 33.160 33.160 33.164 -0.004 17767 9600 1 14 . 1 1 106 106 GLU H H 106 8.100 8.100 7.918 0.182 17767 9601 1 14 . 1 1 107 107 MET N N 107 124.080 124.080 125.692 -1.612 17767 9602 1 14 . 1 1 107 107 MET HA H 107 5.120 5.120 5.205 -0.085 17767 9603 1 14 . 1 1 107 107 MET CA C 107 53.700 53.700 53.153 0.547 17767 9604 1 14 . 1 1 107 107 MET CB C 107 36.800 36.800 34.724 2.076 17767 9605 1 14 . 1 1 107 107 MET H H 107 8.930 8.930 9.379 -0.449 17767 9606 1 14 . 1 1 108 108 VAL N N 108 126.820 126.820 123.208 3.612 17767 9607 1 14 . 1 1 108 108 VAL HA H 108 5.250 5.250 4.746 0.504 17767 9608 1 14 . 1 1 108 108 VAL CA C 108 61.340 61.340 59.462 1.878 17767 9609 1 14 . 1 1 108 108 VAL CB C 108 34.900 34.900 32.727 2.173 17767 9610 1 14 . 1 1 108 108 VAL H H 108 9.017 9.017 8.716 0.301 17767 9611 1 14 . 1 1 109 109 GLU N N 109 128.300 128.300 124.680 3.620 17767 9612 1 14 . 1 1 109 109 GLU HA H 109 5.040 5.040 5.234 -0.194 17767 9613 1 14 . 1 1 109 109 GLU C C 109 174.410 174.410 175.351 -0.941 17767 9614 1 14 . 1 1 109 109 GLU CA C 109 54.440 54.440 54.258 0.181 17767 9615 1 14 . 1 1 109 109 GLU CB C 109 34.760 34.760 34.135 0.625 17767 9616 1 14 . 1 1 109 109 GLU H H 109 9.100 9.100 8.371 0.729 17767 9617 1 14 . 1 1 110 110 THR N N 110 120.760 120.760 117.953 2.807 17767 9618 1 14 . 1 1 110 110 THR HA H 110 4.850 4.850 5.031 -0.181 17767 9619 1 14 . 1 1 110 110 THR C C 110 174.900 174.900 173.324 1.576 17767 9620 1 14 . 1 1 110 110 THR CA C 110 61.980 61.980 61.780 0.200 17767 9621 1 14 . 1 1 110 110 THR CB C 110 69.520 69.520 70.376 -0.856 17767 9622 1 14 . 1 1 110 110 THR H H 110 8.876 8.876 9.126 -0.250 17767 9623 1 14 . 1 1 111 111 ILE N N 111 131.030 131.030 125.743 5.287 17767 9624 1 14 . 1 1 111 111 ILE HA H 111 5.240 5.240 4.427 0.813 17767 9625 1 14 . 1 1 111 111 ILE C C 111 174.600 174.600 174.580 0.020 17767 9626 1 14 . 1 1 111 111 ILE CA C 111 60.310 60.310 59.345 0.965 17767 9627 1 14 . 1 1 111 111 ILE CB C 111 41.220 41.220 41.360 -0.140 17767 9628 1 14 . 1 1 111 111 ILE H H 111 9.490 9.490 8.829 0.661 17767 9629 1 14 . 1 1 112 112 THR N N 112 122.800 122.800 119.336 3.464 17767 9630 1 14 . 1 1 112 112 THR HA H 112 5.960 5.960 5.090 0.870 17767 9631 1 14 . 1 1 112 112 THR C C 112 174.370 174.370 173.230 1.140 17767 9632 1 14 . 1 1 112 112 THR CA C 112 61.180 61.180 61.493 -0.313 17767 9633 1 14 . 1 1 112 112 THR CB C 112 71.250 71.250 70.147 1.103 17767 9634 1 14 . 1 1 112 112 THR H H 112 9.490 9.490 8.236 1.254 17767 9635 1 14 . 1 1 113 113 PHE N N 113 124.980 124.980 124.680 0.300 17767 9636 1 14 . 1 1 113 113 PHE HA H 113 4.820 4.820 4.680 0.140 17767 9637 1 14 . 1 1 113 113 PHE C C 113 175.700 175.700 175.804 -0.104 17767 9638 1 14 . 1 1 113 113 PHE CA C 113 58.800 58.800 57.830 0.970 17767 9639 1 14 . 1 1 113 113 PHE CB C 113 43.480 43.480 42.713 0.767 17767 9640 1 14 . 1 1 113 113 PHE H H 113 9.000 9.000 8.572 0.428 17767 9641 1 14 . 1 1 114 114 GLY N N 114 116.550 116.550 111.215 5.335 17767 9642 1 14 . 1 1 114 114 GLY C C 114 175.300 175.300 174.707 0.593 17767 9643 1 14 . 1 1 114 114 GLY CA C 114 46.840 46.840 45.853 0.987 17767 9644 1 14 . 1 1 114 114 GLY H H 114 8.410 8.410 9.280 -0.870 17767 9645 1 14 . 1 1 115 115 GLY N N 115 105.640 105.640 106.290 -0.650 17767 9646 1 14 . 1 1 115 115 GLY C C 115 174.200 174.200 173.868 0.332 17767 9647 1 14 . 1 1 115 115 GLY CA C 115 44.890 44.890 44.917 -0.027 17767 9648 1 14 . 1 1 115 115 GLY H H 115 8.560 8.560 8.179 0.381 17767 9649 1 14 . 1 1 116 116 VAL N N 116 123.600 123.600 121.410 2.190 17767 9650 1 14 . 1 1 116 116 VAL HA H 116 4.310 4.310 4.420 -0.110 17767 9651 1 14 . 1 1 116 116 VAL C C 116 174.640 174.640 174.774 -0.134 17767 9652 1 14 . 1 1 116 116 VAL CA C 116 62.250 62.250 60.680 1.570 17767 9653 1 14 . 1 1 116 116 VAL CB C 116 34.170 34.170 33.882 0.288 17767 9654 1 14 . 1 1 116 116 VAL H H 116 8.164 8.164 7.763 0.401 17767 9655 1 14 . 1 1 117 117 THR N N 117 123.270 123.270 123.407 -0.137 17767 9656 1 14 . 1 1 117 117 THR HA H 117 5.250 5.250 4.621 0.629 17767 9657 1 14 . 1 1 117 117 THR C C 117 173.800 173.800 173.680 0.120 17767 9658 1 14 . 1 1 117 117 THR CA C 117 61.900 61.900 61.841 0.059 17767 9659 1 14 . 1 1 117 117 THR CB C 117 70.450 70.450 68.309 2.141 17767 9660 1 14 . 1 1 117 117 THR H H 117 8.770 8.770 8.565 0.205 17767 9661 1 14 . 1 1 118 118 LEU N N 118 132.800 132.800 129.826 2.974 17767 9662 1 14 . 1 1 118 118 LEU HA H 118 4.880 4.880 4.514 0.366 17767 9663 1 14 . 1 1 118 118 LEU C C 118 175.200 175.200 174.409 0.791 17767 9664 1 14 . 1 1 118 118 LEU CA C 118 53.570 53.570 53.611 -0.041 17767 9665 1 14 . 1 1 118 118 LEU CB C 118 44.730 44.730 42.635 2.095 17767 9666 1 14 . 1 1 118 118 LEU H H 118 9.700 9.700 8.355 1.345 17767 9667 1 14 . 1 1 119 119 ILE N N 119 124.980 124.980 127.853 -2.873 17767 9668 1 14 . 1 1 119 119 ILE HA H 119 5.240 5.240 4.644 0.596 17767 9669 1 14 . 1 1 119 119 ILE C C 119 175.900 175.900 175.555 0.345 17767 9670 1 14 . 1 1 119 119 ILE CA C 119 59.340 59.340 60.677 -1.337 17767 9671 1 14 . 1 1 119 119 ILE CB C 119 39.550 39.550 38.910 0.640 17767 9672 1 14 . 1 1 119 119 ILE H H 119 7.800 7.800 8.188 -0.388 17767 9673 1 14 . 1 1 120 120 ARG N N 120 126.110 126.110 124.909 1.201 17767 9674 1 14 . 1 1 120 120 ARG HA H 120 5.040 5.040 4.779 0.261 17767 9675 1 14 . 1 1 120 120 ARG C C 120 175.300 175.300 174.240 1.060 17767 9676 1 14 . 1 1 120 120 ARG CA C 120 54.990 54.990 53.778 1.212 17767 9677 1 14 . 1 1 120 120 ARG CB C 120 34.760 34.760 33.410 1.350 17767 9678 1 14 . 1 1 120 120 ARG H H 120 9.400 9.400 8.842 0.558 17767 9679 1 14 . 1 1 121 121 ARG N N 121 126.600 126.600 119.469 7.131 17767 9680 1 14 . 1 1 121 121 ARG HA H 121 5.350 5.350 4.544 0.806 17767 9681 1 14 . 1 1 121 121 ARG C C 121 175.020 175.020 174.465 0.555 17767 9682 1 14 . 1 1 121 121 ARG CA C 121 55.250 55.250 55.303 -0.053 17767 9683 1 14 . 1 1 121 121 ARG CB C 121 31.830 31.830 32.688 -0.859 17767 9684 1 14 . 1 1 121 121 ARG H H 121 9.110 9.110 8.004 1.106 17767 9685 1 14 . 1 1 122 122 SER N N 122 118.200 118.200 119.955 -1.755 17767 9686 1 14 . 1 1 122 122 SER HA H 122 5.730 5.730 5.571 0.159 17767 9687 1 14 . 1 1 122 122 SER C C 122 173.010 173.010 173.440 -0.430 17767 9688 1 14 . 1 1 122 122 SER CA C 122 58.100 58.100 57.074 1.026 17767 9689 1 14 . 1 1 122 122 SER CB C 122 66.850 66.850 65.512 1.338 17767 9690 1 14 . 1 1 122 122 SER H H 122 9.290 9.290 8.955 0.335 17767 9691 1 14 . 1 1 123 123 LYS N N 123 120.480 120.480 123.337 -2.857 17767 9692 1 14 . 1 1 123 123 LYS HA H 123 5.780 5.780 5.184 0.596 17767 9693 1 14 . 1 1 123 123 LYS C C 123 175.600 175.600 176.127 -0.527 17767 9694 1 14 . 1 1 123 123 LYS CA C 123 54.130 54.130 54.678 -0.548 17767 9695 1 14 . 1 1 123 123 LYS CB C 123 36.330 36.330 35.347 0.983 17767 9696 1 14 . 1 1 123 123 LYS H H 123 8.650 8.650 9.275 -0.625 17767 9697 1 14 . 1 1 124 124 ARG N N 124 124.980 124.980 124.927 0.053 17767 9698 1 14 . 1 1 124 124 ARG HA H 124 3.940 3.940 4.717 -0.777 17767 9699 1 14 . 1 1 124 124 ARG C C 124 176.500 176.500 176.005 0.495 17767 9700 1 14 . 1 1 124 124 ARG CA C 124 56.900 56.900 57.194 -0.294 17767 9701 1 14 . 1 1 124 124 ARG CB C 124 30.380 30.380 30.873 -0.493 17767 9702 1 14 . 1 1 124 124 ARG H H 124 8.200 8.200 8.765 -0.565 17767 9703 1 15 . 1 1 2 2 PHE HA H 2 4.460 4.460 4.787 -0.327 17767 9704 1 15 . 1 1 2 2 PHE C C 2 175.900 175.900 176.944 -1.044 17767 9705 1 15 . 1 1 2 2 PHE CA C 2 61.170 61.170 58.775 2.395 17767 9706 1 15 . 1 1 2 2 PHE CB C 2 40.690 40.690 39.867 0.823 17767 9707 1 15 . 1 1 3 3 SER N N 3 111.380 111.380 115.268 -3.888 17767 9708 1 15 . 1 1 3 3 SER HA H 3 4.420 4.420 4.390 0.030 17767 9709 1 15 . 1 1 3 3 SER C C 3 174.700 174.700 174.815 -0.115 17767 9710 1 15 . 1 1 3 3 SER CA C 3 60.000 60.000 59.788 0.211 17767 9711 1 15 . 1 1 3 3 SER CB C 3 64.140 64.140 62.369 1.771 17767 9712 1 15 . 1 1 3 3 SER H H 3 7.968 7.968 8.207 -0.239 17767 9713 1 15 . 1 1 4 4 GLY N N 4 111.480 111.480 111.678 -0.198 17767 9714 1 15 . 1 1 4 4 GLY C C 4 171.800 171.800 171.412 0.388 17767 9715 1 15 . 1 1 4 4 GLY CA C 4 44.150 44.150 45.327 -1.177 17767 9716 1 15 . 1 1 4 4 GLY H H 4 9.080 9.080 8.472 0.608 17767 9717 1 15 . 1 1 5 5 THR N N 5 117.770 117.770 113.199 4.571 17767 9718 1 15 . 1 1 5 5 THR HA H 5 4.980 4.980 5.086 -0.106 17767 9719 1 15 . 1 1 5 5 THR C C 5 173.190 173.190 173.208 -0.018 17767 9720 1 15 . 1 1 5 5 THR CA C 5 62.930 62.930 60.256 2.674 17767 9721 1 15 . 1 1 5 5 THR CB C 5 69.310 69.310 70.655 -1.345 17767 9722 1 15 . 1 1 5 5 THR H H 5 8.270 8.270 7.791 0.479 17767 9723 1 15 . 1 1 6 6 TRP N N 6 127.500 127.500 126.149 1.351 17767 9724 1 15 . 1 1 6 6 TRP HA H 6 5.130 5.130 5.316 -0.186 17767 9725 1 15 . 1 1 6 6 TRP CA C 6 55.300 55.300 55.612 -0.312 17767 9726 1 15 . 1 1 6 6 TRP CB C 6 32.290 32.290 31.169 1.121 17767 9727 1 15 . 1 1 6 6 TRP H H 6 9.560 9.560 8.898 0.662 17767 9728 1 15 . 1 1 7 7 GLN HA H 7 4.970 4.970 4.793 0.177 17767 9729 1 15 . 1 1 7 7 GLN C C 7 175.900 175.900 174.922 0.978 17767 9730 1 15 . 1 1 7 7 GLN CA C 7 54.720 54.720 54.228 0.492 17767 9731 1 15 . 1 1 7 7 GLN CB C 7 32.400 32.400 29.858 2.542 17767 9732 1 15 . 1 1 8 8 VAL N N 8 131.400 131.400 128.522 2.878 17767 9733 1 15 . 1 1 8 8 VAL HA H 8 4.450 4.450 4.743 -0.293 17767 9734 1 15 . 1 1 8 8 VAL CA C 8 63.500 63.500 61.943 1.557 17767 9735 1 15 . 1 1 8 8 VAL CB C 8 32.300 32.300 32.385 -0.085 17767 9736 1 15 . 1 1 8 8 VAL H H 8 8.270 8.270 8.391 -0.121 17767 9737 1 15 . 1 1 9 9 TYR N N 9 123.300 123.300 121.041 2.259 17767 9738 1 15 . 1 1 9 9 TYR HA H 9 5.140 5.140 4.805 0.335 17767 9739 1 15 . 1 1 9 9 TYR C C 9 174.600 174.600 173.271 1.329 17767 9740 1 15 . 1 1 9 9 TYR CA C 9 56.600 56.600 56.618 -0.018 17767 9741 1 15 . 1 1 9 9 TYR CB C 9 40.880 40.880 40.622 0.258 17767 9742 1 15 . 1 1 9 9 TYR H H 9 9.570 9.570 9.049 0.521 17767 9743 1 15 . 1 1 10 10 ALA N N 10 125.800 125.800 127.911 -2.111 17767 9744 1 15 . 1 1 10 10 ALA HA H 10 4.680 4.680 4.513 0.168 17767 9745 1 15 . 1 1 10 10 ALA C C 10 175.200 175.200 175.546 -0.346 17767 9746 1 15 . 1 1 10 10 ALA CA C 10 51.780 51.780 52.362 -0.582 17767 9747 1 15 . 1 1 10 10 ALA CB C 10 22.070 22.070 20.158 1.912 17767 9748 1 15 . 1 1 10 10 ALA H H 10 7.330 7.330 8.038 -0.708 17767 9749 1 15 . 1 1 11 11 GLN N N 11 118.300 118.300 118.970 -0.670 17767 9750 1 15 . 1 1 11 11 GLN HA H 11 5.370 5.370 4.522 0.848 17767 9751 1 15 . 1 1 11 11 GLN C C 11 174.700 174.700 175.204 -0.504 17767 9752 1 15 . 1 1 11 11 GLN CA C 11 54.460 54.460 55.694 -1.234 17767 9753 1 15 . 1 1 11 11 GLN CB C 11 32.870 32.870 29.135 3.735 17767 9754 1 15 . 1 1 11 11 GLN H H 11 8.700 8.700 8.702 -0.002 17767 9755 1 15 . 1 1 12 12 GLU N N 12 123.800 123.800 120.872 2.928 17767 9756 1 15 . 1 1 12 12 GLU HA H 12 4.600 4.600 4.587 0.013 17767 9757 1 15 . 1 1 12 12 GLU C C 12 175.700 175.700 175.957 -0.257 17767 9758 1 15 . 1 1 12 12 GLU CA C 12 55.300 55.300 55.566 -0.266 17767 9759 1 15 . 1 1 12 12 GLU CB C 12 31.760 31.760 31.582 0.178 17767 9760 1 15 . 1 1 12 12 GLU H H 12 9.130 9.130 8.285 0.845 17767 9761 1 15 . 1 1 13 13 ASN N N 13 117.550 117.550 119.985 -2.435 17767 9762 1 15 . 1 1 13 13 ASN HA H 13 4.790 4.790 4.420 0.370 17767 9763 1 15 . 1 1 13 13 ASN C C 13 175.600 175.600 174.613 0.987 17767 9764 1 15 . 1 1 13 13 ASN CA C 13 54.100 54.100 54.796 -0.696 17767 9765 1 15 . 1 1 13 13 ASN CB C 13 37.100 37.100 37.180 -0.080 17767 9766 1 15 . 1 1 13 13 ASN H H 13 9.130 9.130 9.178 -0.048 17767 9767 1 15 . 1 1 14 14 TYR N N 14 118.280 118.280 119.152 -0.872 17767 9768 1 15 . 1 1 14 14 TYR HA H 14 4.360 4.360 4.411 -0.051 17767 9769 1 15 . 1 1 14 14 TYR C C 14 176.500 176.500 176.707 -0.207 17767 9770 1 15 . 1 1 14 14 TYR CA C 14 60.590 60.590 61.258 -0.667 17767 9771 1 15 . 1 1 14 14 TYR CB C 14 39.450 39.450 39.830 -0.380 17767 9772 1 15 . 1 1 14 14 TYR H H 14 7.900 7.900 8.073 -0.173 17767 9773 1 15 . 1 1 15 15 GLU N N 15 118.600 118.600 117.492 1.108 17767 9774 1 15 . 1 1 15 15 GLU HA H 15 3.550 3.550 4.113 -0.563 17767 9775 1 15 . 1 1 15 15 GLU C C 15 178.500 178.500 178.781 -0.281 17767 9776 1 15 . 1 1 15 15 GLU CA C 15 61.170 61.170 59.375 1.795 17767 9777 1 15 . 1 1 15 15 GLU CB C 15 28.700 28.700 28.718 -0.017 17767 9778 1 15 . 1 1 15 15 GLU H H 15 8.960 8.960 9.164 -0.204 17767 9779 1 15 . 1 1 16 16 GLU N N 16 118.800 118.800 119.475 -0.675 17767 9780 1 15 . 1 1 16 16 GLU HA H 16 3.880 3.880 4.303 -0.423 17767 9781 1 15 . 1 1 16 16 GLU C C 16 178.600 178.600 177.774 0.826 17767 9782 1 15 . 1 1 16 16 GLU CA C 16 60.300 60.300 57.954 2.346 17767 9783 1 15 . 1 1 16 16 GLU CB C 16 28.600 28.600 28.995 -0.395 17767 9784 1 15 . 1 1 16 16 GLU H H 16 9.090 9.090 8.814 0.276 17767 9785 1 15 . 1 1 17 17 PHE N N 17 124.200 124.200 121.009 3.191 17767 9786 1 15 . 1 1 17 17 PHE HA H 17 3.960 3.960 4.281 -0.321 17767 9787 1 15 . 1 1 17 17 PHE C C 17 176.400 176.400 176.911 -0.511 17767 9788 1 15 . 1 1 17 17 PHE CA C 17 62.350 62.350 59.471 2.879 17767 9789 1 15 . 1 1 17 17 PHE CB C 17 40.380 40.380 38.966 1.414 17767 9790 1 15 . 1 1 17 17 PHE H H 17 8.410 8.410 7.425 0.985 17767 9791 1 15 . 1 1 18 18 LEU N N 18 116.400 116.400 117.874 -1.474 17767 9792 1 15 . 1 1 18 18 LEU HA H 18 3.780 3.780 3.525 0.255 17767 9793 1 15 . 1 1 18 18 LEU C C 18 178.800 178.800 178.519 0.281 17767 9794 1 15 . 1 1 18 18 LEU CA C 18 58.240 58.240 57.863 0.377 17767 9795 1 15 . 1 1 18 18 LEU CB C 18 41.220 41.220 41.140 0.080 17767 9796 1 15 . 1 1 18 18 LEU H H 18 8.200 8.200 7.667 0.533 17767 9797 1 15 . 1 1 19 19 LYS N N 19 116.590 116.590 115.847 0.743 17767 9798 1 15 . 1 1 19 19 LYS HA H 19 4.040 4.040 4.057 -0.017 17767 9799 1 15 . 1 1 19 19 LYS C C 19 179.800 179.800 178.166 1.634 17767 9800 1 15 . 1 1 19 19 LYS CA C 19 58.820 58.820 58.577 0.243 17767 9801 1 15 . 1 1 19 19 LYS CB C 19 32.150 32.150 32.022 0.128 17767 9802 1 15 . 1 1 19 19 LYS H H 19 7.790 7.790 7.902 -0.112 17767 9803 1 15 . 1 1 20 20 ALA N N 20 126.110 126.110 120.954 5.156 17767 9804 1 15 . 1 1 20 20 ALA HA H 20 4.160 4.160 4.227 -0.067 17767 9805 1 15 . 1 1 20 20 ALA C C 20 178.600 178.600 178.657 -0.057 17767 9806 1 15 . 1 1 20 20 ALA CA C 20 55.300 55.300 53.689 1.611 17767 9807 1 15 . 1 1 20 20 ALA CB C 20 17.700 17.700 18.878 -1.178 17767 9808 1 15 . 1 1 20 20 ALA H H 20 7.990 7.990 7.377 0.613 17767 9809 1 15 . 1 1 21 21 LEU N N 21 117.110 117.110 116.371 0.739 17767 9810 1 15 . 1 1 21 21 LEU HA H 21 3.688 3.688 4.182 -0.494 17767 9811 1 15 . 1 1 21 21 LEU C C 21 176.100 176.100 175.943 0.157 17767 9812 1 15 . 1 1 21 21 LEU CA C 21 55.400 55.400 54.244 1.156 17767 9813 1 15 . 1 1 21 21 LEU CB C 21 42.700 42.700 41.327 1.373 17767 9814 1 15 . 1 1 21 21 LEU H H 21 7.380 7.380 7.062 0.318 17767 9815 1 15 . 1 1 22 22 ALA N N 22 118.800 118.800 119.144 -0.344 17767 9816 1 15 . 1 1 22 22 ALA HA H 22 3.985 3.985 3.968 0.017 17767 9817 1 15 . 1 1 22 22 ALA C C 22 177.000 177.000 176.855 0.145 17767 9818 1 15 . 1 1 22 22 ALA CA C 22 52.370 52.370 52.554 -0.184 17767 9819 1 15 . 1 1 22 22 ALA CB C 22 15.960 15.960 16.806 -0.846 17767 9820 1 15 . 1 1 22 22 ALA H H 22 7.920 7.920 7.223 0.697 17767 9821 1 15 . 1 1 23 23 LEU N N 23 118.470 118.470 119.469 -0.999 17767 9822 1 15 . 1 1 23 23 LEU HA H 23 4.425 4.425 4.526 -0.101 17767 9823 1 15 . 1 1 23 23 LEU C C 23 174.500 174.500 174.923 -0.423 17767 9824 1 15 . 1 1 23 23 LEU CA C 23 54.130 54.130 51.803 2.328 17767 9825 1 15 . 1 1 23 23 LEU CB C 23 41.220 41.220 42.712 -1.492 17767 9826 1 15 . 1 1 23 23 LEU H H 23 6.950 6.950 7.432 -0.482 17767 9827 1 15 . 1 1 24 24 PRO HA H 24 4.475 4.475 4.512 -0.037 17767 9828 1 15 . 1 1 24 24 PRO C C 24 177.500 177.500 177.376 0.124 17767 9829 1 15 . 1 1 24 24 PRO CA C 24 62.940 62.940 62.565 0.375 17767 9830 1 15 . 1 1 24 24 PRO CB C 24 32.600 32.600 32.231 0.369 17767 9831 1 15 . 1 1 25 25 GLU N N 25 122.500 122.500 123.176 -0.676 17767 9832 1 15 . 1 1 25 25 GLU HA H 25 3.860 3.860 3.834 0.026 17767 9833 1 15 . 1 1 25 25 GLU C C 25 177.900 177.900 178.253 -0.353 17767 9834 1 15 . 1 1 25 25 GLU CA C 25 60.100 60.100 59.942 0.158 17767 9835 1 15 . 1 1 25 25 GLU CB C 25 29.690 29.690 29.482 0.208 17767 9836 1 15 . 1 1 25 25 GLU H H 25 8.840 8.840 8.913 -0.073 17767 9837 1 15 . 1 1 26 26 ASP N N 26 117.110 117.110 117.422 -0.312 17767 9838 1 15 . 1 1 26 26 ASP HA H 26 4.360 4.360 4.435 -0.075 17767 9839 1 15 . 1 1 26 26 ASP C C 26 177.900 177.900 177.677 0.223 17767 9840 1 15 . 1 1 26 26 ASP CA C 26 57.080 57.080 56.375 0.705 17767 9841 1 15 . 1 1 26 26 ASP CB C 26 40.040 40.040 39.975 0.065 17767 9842 1 15 . 1 1 26 26 ASP H H 26 8.920 8.920 8.634 0.286 17767 9843 1 15 . 1 1 27 27 LEU N N 27 121.990 121.990 120.798 1.192 17767 9844 1 15 . 1 1 27 27 LEU HA H 27 4.270 4.270 4.240 0.030 17767 9845 1 15 . 1 1 27 27 LEU C C 27 178.070 178.070 177.975 0.095 17767 9846 1 15 . 1 1 27 27 LEU CA C 27 57.650 57.650 57.316 0.335 17767 9847 1 15 . 1 1 27 27 LEU CB C 27 42.230 42.230 42.386 -0.156 17767 9848 1 15 . 1 1 27 27 LEU H H 27 7.220 7.220 7.353 -0.133 17767 9849 1 15 . 1 1 28 28 ILE N N 28 120.350 120.350 118.832 1.518 17767 9850 1 15 . 1 1 28 28 ILE HA H 28 3.317 3.317 3.571 -0.254 17767 9851 1 15 . 1 1 28 28 ILE C C 28 177.400 177.400 177.948 -0.548 17767 9852 1 15 . 1 1 28 28 ILE CA C 28 67.040 67.040 65.257 1.783 17767 9853 1 15 . 1 1 28 28 ILE CB C 28 37.110 37.110 37.443 -0.333 17767 9854 1 15 . 1 1 28 28 ILE H H 28 7.900 7.900 8.316 -0.416 17767 9855 1 15 . 1 1 29 29 LYS N N 29 117.110 117.110 117.974 -0.864 17767 9856 1 15 . 1 1 29 29 LYS HA H 29 3.947 3.947 4.110 -0.163 17767 9857 1 15 . 1 1 29 29 LYS C C 29 178.900 178.900 177.788 1.112 17767 9858 1 15 . 1 1 29 29 LYS CA C 29 60.000 60.000 58.815 1.185 17767 9859 1 15 . 1 1 29 29 LYS CB C 29 32.390 32.390 32.215 0.175 17767 9860 1 15 . 1 1 29 29 LYS H H 29 7.850 7.850 7.481 0.369 17767 9861 1 15 . 1 1 30 30 MET N N 30 117.110 117.110 117.380 -0.270 17767 9862 1 15 . 1 1 30 30 MET HA H 30 4.320 4.320 4.421 -0.101 17767 9863 1 15 . 1 1 30 30 MET C C 30 177.500 177.500 178.273 -0.773 17767 9864 1 15 . 1 1 30 30 MET CA C 30 57.650 57.650 57.974 -0.324 17767 9865 1 15 . 1 1 30 30 MET CB C 30 32.970 32.970 33.282 -0.312 17767 9866 1 15 . 1 1 30 30 MET H H 30 7.450 7.450 7.511 -0.061 17767 9867 1 15 . 1 1 31 31 ALA N N 31 120.480 120.480 122.139 -1.659 17767 9868 1 15 . 1 1 31 31 ALA HA H 31 4.270 4.270 4.144 0.126 17767 9869 1 15 . 1 1 31 31 ALA CA C 31 53.545 53.545 55.072 -1.526 17767 9870 1 15 . 1 1 31 31 ALA CB C 31 19.290 19.290 18.424 0.866 17767 9871 1 15 . 1 1 31 31 ALA H H 31 8.420 8.420 8.152 0.268 17767 9872 1 15 . 1 1 32 32 ARG N N 32 122.170 122.170 117.378 4.792 17767 9873 1 15 . 1 1 32 32 ARG HA H 32 4.109 4.109 4.064 0.045 17767 9874 1 15 . 1 1 32 32 ARG C C 32 176.500 176.500 176.430 0.070 17767 9875 1 15 . 1 1 32 32 ARG CA C 32 61.170 61.170 57.991 3.179 17767 9876 1 15 . 1 1 32 32 ARG CB C 32 30.600 30.600 30.167 0.433 17767 9877 1 15 . 1 1 32 32 ARG H H 32 7.770 7.770 7.731 0.039 17767 9878 1 15 . 1 1 33 33 ASP N N 33 116.550 116.550 118.368 -1.818 17767 9879 1 15 . 1 1 33 33 ASP HA H 33 4.920 4.920 4.737 0.183 17767 9880 1 15 . 1 1 33 33 ASP C C 33 175.900 175.900 174.881 1.019 17767 9881 1 15 . 1 1 33 33 ASP CA C 33 54.130 54.130 53.803 0.327 17767 9882 1 15 . 1 1 33 33 ASP CB C 33 41.760 41.760 42.138 -0.378 17767 9883 1 15 . 1 1 33 33 ASP H H 33 8.330 8.330 7.878 0.452 17767 9884 1 15 . 1 1 34 34 ILE N N 34 120.060 120.060 121.701 -1.641 17767 9885 1 15 . 1 1 34 34 ILE HA H 34 4.120 4.120 4.334 -0.214 17767 9886 1 15 . 1 1 34 34 ILE C C 34 176.100 176.100 174.792 1.308 17767 9887 1 15 . 1 1 34 34 ILE CA C 34 61.170 61.170 60.840 0.329 17767 9888 1 15 . 1 1 34 34 ILE CB C 34 37.860 37.860 40.211 -2.351 17767 9889 1 15 . 1 1 34 34 ILE H H 34 7.240 7.240 7.778 -0.538 17767 9890 1 15 . 1 1 35 35 LYS N N 35 131.170 131.170 128.867 2.303 17767 9891 1 15 . 1 1 35 35 LYS HA H 35 4.700 4.700 4.803 -0.103 17767 9892 1 15 . 1 1 35 35 LYS C C 35 173.700 173.700 174.443 -0.743 17767 9893 1 15 . 1 1 35 35 LYS CA C 35 52.970 52.970 53.825 -0.855 17767 9894 1 15 . 1 1 35 35 LYS CB C 35 32.750 32.750 32.404 0.346 17767 9895 1 15 . 1 1 35 35 LYS H H 35 8.980 8.980 8.578 0.402 17767 9896 1 15 . 1 1 36 36 PRO HA H 36 4.510 4.510 4.460 0.050 17767 9897 1 15 . 1 1 36 36 PRO CA C 36 63.523 63.523 62.501 1.022 17767 9898 1 15 . 1 1 36 36 PRO CB C 36 32.840 32.840 32.617 0.223 17767 9899 1 15 . 1 1 37 37 ILE HA H 37 4.920 4.920 4.296 0.624 17767 9900 1 15 . 1 1 37 37 ILE C C 37 175.500 175.500 175.289 0.211 17767 9901 1 15 . 1 1 37 37 ILE CA C 37 60.588 60.588 60.057 0.531 17767 9902 1 15 . 1 1 37 37 ILE CB C 37 40.630 40.630 39.585 1.045 17767 9903 1 15 . 1 1 38 38 VAL N N 38 129.000 129.000 129.527 -0.527 17767 9904 1 15 . 1 1 38 38 VAL HA H 38 5.120 5.120 4.269 0.851 17767 9905 1 15 . 1 1 38 38 VAL C C 38 175.100 175.100 174.735 0.365 17767 9906 1 15 . 1 1 38 38 VAL CA C 38 61.176 61.176 61.929 -0.753 17767 9907 1 15 . 1 1 38 38 VAL CB C 38 34.850 34.850 32.698 2.152 17767 9908 1 15 . 1 1 38 38 VAL H H 38 9.540 9.540 9.123 0.417 17767 9909 1 15 . 1 1 39 39 GLU N N 39 128.350 128.350 128.920 -0.570 17767 9910 1 15 . 1 1 39 39 GLU HA H 39 5.440 5.440 4.666 0.774 17767 9911 1 15 . 1 1 39 39 GLU C C 39 176.000 176.000 174.642 1.358 17767 9912 1 15 . 1 1 39 39 GLU CA C 39 54.720 54.720 56.407 -1.687 17767 9913 1 15 . 1 1 39 39 GLU CB C 39 32.410 32.410 31.659 0.751 17767 9914 1 15 . 1 1 39 39 GLU H H 39 9.590 9.590 8.342 1.248 17767 9915 1 15 . 1 1 40 40 ILE N N 40 126.110 126.110 125.988 0.122 17767 9916 1 15 . 1 1 40 40 ILE HA H 40 5.050 5.050 4.946 0.104 17767 9917 1 15 . 1 1 40 40 ILE C C 40 175.800 175.800 173.022 2.778 17767 9918 1 15 . 1 1 40 40 ILE CA C 40 61.330 61.330 59.284 2.046 17767 9919 1 15 . 1 1 40 40 ILE CB C 40 40.160 40.160 42.010 -1.850 17767 9920 1 15 . 1 1 40 40 ILE H H 40 9.630 9.630 8.523 1.107 17767 9921 1 15 . 1 1 41 41 GLN N N 41 128.360 128.360 127.542 0.818 17767 9922 1 15 . 1 1 41 41 GLN HA H 41 4.720 4.720 4.879 -0.159 17767 9923 1 15 . 1 1 41 41 GLN C C 41 173.900 173.900 173.107 0.793 17767 9924 1 15 . 1 1 41 41 GLN CA C 41 54.940 54.940 54.163 0.777 17767 9925 1 15 . 1 1 41 41 GLN CB C 41 31.820 31.820 32.379 -0.559 17767 9926 1 15 . 1 1 41 41 GLN H H 41 9.270 9.270 8.945 0.325 17767 9927 1 15 . 1 1 42 42 GLN N N 42 126.110 126.110 121.924 4.186 17767 9928 1 15 . 1 1 42 42 GLN HA H 42 4.380 4.380 4.690 -0.310 17767 9929 1 15 . 1 1 42 42 GLN C C 42 174.700 174.700 174.759 -0.059 17767 9930 1 15 . 1 1 42 42 GLN CA C 42 54.150 54.150 54.383 -0.233 17767 9931 1 15 . 1 1 42 42 GLN CB C 42 30.000 30.000 31.297 -1.297 17767 9932 1 15 . 1 1 42 42 GLN H H 42 8.250 8.250 8.427 -0.177 17767 9933 1 15 . 1 1 43 43 LYS N N 43 130.610 130.610 121.741 8.869 17767 9934 1 15 . 1 1 43 43 LYS HA H 43 4.460 4.460 4.544 -0.084 17767 9935 1 15 . 1 1 43 43 LYS C C 43 176.030 176.030 176.207 -0.177 17767 9936 1 15 . 1 1 43 43 LYS CA C 43 55.306 55.306 55.959 -0.653 17767 9937 1 15 . 1 1 43 43 LYS CB C 43 33.270 33.270 32.900 0.370 17767 9938 1 15 . 1 1 43 43 LYS H H 43 8.820 8.820 8.594 0.226 17767 9939 1 15 . 1 1 44 44 GLY N N 44 117.110 117.110 113.532 3.578 17767 9940 1 15 . 1 1 44 44 GLY C C 44 174.300 174.300 174.331 -0.031 17767 9941 1 15 . 1 1 44 44 GLY CA C 44 47.480 47.480 45.844 1.636 17767 9942 1 15 . 1 1 44 44 GLY H H 44 8.940 8.940 8.491 0.449 17767 9943 1 15 . 1 1 45 45 ASP N N 45 127.799 127.799 124.658 3.141 17767 9944 1 15 . 1 1 45 45 ASP HA H 45 4.870 4.870 4.991 -0.121 17767 9945 1 15 . 1 1 45 45 ASP C C 45 174.700 174.700 175.149 -0.449 17767 9946 1 15 . 1 1 45 45 ASP CA C 45 54.719 54.719 54.432 0.287 17767 9947 1 15 . 1 1 45 45 ASP CB C 45 41.270 41.270 42.767 -1.497 17767 9948 1 15 . 1 1 45 45 ASP H H 45 8.870 8.870 8.536 0.334 17767 9949 1 15 . 1 1 46 46 ASP N N 46 120.480 120.480 120.947 -0.467 17767 9950 1 15 . 1 1 46 46 ASP HA H 46 5.230 5.230 5.315 -0.085 17767 9951 1 15 . 1 1 46 46 ASP C C 46 175.070 175.070 174.490 0.580 17767 9952 1 15 . 1 1 46 46 ASP CA C 46 54.132 54.132 54.409 -0.277 17767 9953 1 15 . 1 1 46 46 ASP CB C 46 41.570 41.570 42.392 -0.822 17767 9954 1 15 . 1 1 46 46 ASP H H 46 8.060 8.060 7.512 0.548 17767 9955 1 15 . 1 1 47 47 PHE N N 47 122.730 122.730 122.753 -0.023 17767 9956 1 15 . 1 1 47 47 PHE HA H 47 5.090 5.090 4.977 0.113 17767 9957 1 15 . 1 1 47 47 PHE C C 47 176.400 176.400 174.527 1.873 17767 9958 1 15 . 1 1 47 47 PHE CA C 47 56.420 56.420 55.701 0.719 17767 9959 1 15 . 1 1 47 47 PHE CB C 47 44.150 44.150 42.719 1.431 17767 9960 1 15 . 1 1 47 47 PHE H H 47 9.296 9.296 9.279 0.017 17767 9961 1 15 . 1 1 48 48 VAL N N 48 121.690 121.690 121.993 -0.303 17767 9962 1 15 . 1 1 48 48 VAL HA H 48 4.500 4.500 4.424 0.076 17767 9963 1 15 . 1 1 48 48 VAL C C 48 175.700 175.700 174.721 0.979 17767 9964 1 15 . 1 1 48 48 VAL CA C 48 62.930 62.930 61.765 1.165 17767 9965 1 15 . 1 1 48 48 VAL CB C 48 34.670 34.670 33.005 1.665 17767 9966 1 15 . 1 1 48 48 VAL H H 48 8.520 8.520 9.235 -0.715 17767 9967 1 15 . 1 1 49 49 VAL N N 49 127.200 127.200 129.598 -2.398 17767 9968 1 15 . 1 1 49 49 VAL HA H 49 5.250 5.250 4.760 0.490 17767 9969 1 15 . 1 1 49 49 VAL C C 49 175.700 175.700 175.543 0.157 17767 9970 1 15 . 1 1 49 49 VAL CA C 49 61.180 61.180 61.537 -0.357 17767 9971 1 15 . 1 1 49 49 VAL CB C 49 34.660 34.660 33.533 1.127 17767 9972 1 15 . 1 1 49 49 VAL H H 49 9.330 9.330 9.320 0.010 17767 9973 1 15 . 1 1 50 50 THR N N 50 128.500 128.500 124.431 4.069 17767 9974 1 15 . 1 1 50 50 THR HA H 50 5.430 5.430 5.026 0.404 17767 9975 1 15 . 1 1 50 50 THR C C 50 173.810 173.810 173.464 0.346 17767 9976 1 15 . 1 1 50 50 THR CA C 50 61.530 61.530 61.624 -0.094 17767 9977 1 15 . 1 1 50 50 THR CB C 50 70.760 70.760 70.265 0.495 17767 9978 1 15 . 1 1 50 50 THR H H 50 9.730 9.730 9.439 0.291 17767 9979 1 15 . 1 1 51 51 SER N N 51 122.730 122.730 123.406 -0.676 17767 9980 1 15 . 1 1 51 51 SER HA H 51 5.430 5.430 4.841 0.589 17767 9981 1 15 . 1 1 51 51 SER C C 51 173.800 173.800 173.776 0.024 17767 9982 1 15 . 1 1 51 51 SER CA C 51 57.060 57.060 57.135 -0.075 17767 9983 1 15 . 1 1 51 51 SER CB C 51 64.550 64.550 63.217 1.333 17767 9984 1 15 . 1 1 51 51 SER H H 51 9.190 9.190 8.828 0.362 17767 9985 1 15 . 1 1 52 52 LYS N N 52 125.550 125.550 128.317 -2.767 17767 9986 1 15 . 1 1 52 52 LYS HA H 52 5.310 5.310 4.437 0.873 17767 9987 1 15 . 1 1 52 52 LYS C C 52 175.900 175.900 176.130 -0.230 17767 9988 1 15 . 1 1 52 52 LYS CA C 52 56.120 56.120 55.841 0.279 17767 9989 1 15 . 1 1 52 52 LYS CB C 52 36.130 36.130 32.868 3.262 17767 9990 1 15 . 1 1 52 52 LYS H H 52 9.490 9.490 8.487 1.003 17767 9991 1 15 . 1 1 53 53 THR N N 53 115.980 115.980 115.940 0.040 17767 9992 1 15 . 1 1 53 53 THR HA H 53 5.024 5.024 4.839 0.185 17767 9993 1 15 . 1 1 53 53 THR C C 53 173.400 173.400 174.066 -0.666 17767 9994 1 15 . 1 1 53 53 THR CA C 53 59.140 59.140 58.196 0.945 17767 9995 1 15 . 1 1 53 53 THR CB C 53 69.300 69.300 69.516 -0.216 17767 9996 1 15 . 1 1 53 53 THR H H 53 8.760 8.760 8.090 0.670 17767 9997 1 15 . 1 1 54 54 PRO HA H 54 4.350 4.350 4.646 -0.296 17767 9998 1 15 . 1 1 54 54 PRO C C 54 177.200 177.200 176.076 1.124 17767 9999 1 15 . 1 1 54 54 PRO CA C 54 66.458 66.458 63.702 2.756 17767 10000 1 15 . 1 1 54 54 PRO CB C 54 32.400 32.400 31.668 0.732 17767 10001 1 15 . 1 1 55 55 ARG N N 55 111.480 111.480 117.019 -5.539 17767 10002 1 15 . 1 1 55 55 ARG HA H 55 4.510 4.510 4.490 0.020 17767 10003 1 15 . 1 1 55 55 ARG C C 55 175.800 175.800 175.777 0.023 17767 10004 1 15 . 1 1 55 55 ARG CA C 55 55.893 55.893 56.453 -0.560 17767 10005 1 15 . 1 1 55 55 ARG CB C 55 32.520 32.520 32.772 -0.252 17767 10006 1 15 . 1 1 55 55 ARG H H 55 8.010 8.010 7.627 0.383 17767 10007 1 15 . 1 1 56 56 GLN N N 56 118.230 118.230 119.011 -0.781 17767 10008 1 15 . 1 1 56 56 GLN HA H 56 4.830 4.830 4.614 0.216 17767 10009 1 15 . 1 1 56 56 GLN C C 56 174.200 174.200 174.475 -0.275 17767 10010 1 15 . 1 1 56 56 GLN CA C 56 55.610 55.610 55.202 0.408 17767 10011 1 15 . 1 1 56 56 GLN CB C 56 32.880 32.880 32.671 0.209 17767 10012 1 15 . 1 1 56 56 GLN H H 56 7.530 7.530 8.223 -0.693 17767 10013 1 15 . 1 1 57 57 THR N N 57 120.480 120.480 119.341 1.139 17767 10014 1 15 . 1 1 57 57 THR HA H 57 5.330 5.330 4.957 0.373 17767 10015 1 15 . 1 1 57 57 THR C C 57 174.000 174.000 174.786 -0.786 17767 10016 1 15 . 1 1 57 57 THR CA C 57 61.760 61.760 61.326 0.434 17767 10017 1 15 . 1 1 57 57 THR CB C 57 71.500 71.500 69.581 1.919 17767 10018 1 15 . 1 1 57 57 THR H H 57 8.610 8.610 8.505 0.105 17767 10019 1 15 . 1 1 58 58 VAL N N 58 125.200 125.200 126.348 -1.148 17767 10020 1 15 . 1 1 58 58 VAL HA H 58 4.540 4.540 4.676 -0.136 17767 10021 1 15 . 1 1 58 58 VAL C C 58 174.400 174.400 174.569 -0.169 17767 10022 1 15 . 1 1 58 58 VAL CA C 58 61.170 61.170 59.613 1.557 17767 10023 1 15 . 1 1 58 58 VAL CB C 58 35.560 35.560 34.745 0.816 17767 10024 1 15 . 1 1 58 58 VAL H H 58 8.830 8.830 8.530 0.300 17767 10025 1 15 . 1 1 59 59 THR N N 59 125.500 125.500 119.465 6.035 17767 10026 1 15 . 1 1 59 59 THR HA H 59 5.260 5.260 4.955 0.305 17767 10027 1 15 . 1 1 59 59 THR C C 59 173.400 173.400 173.894 -0.494 17767 10028 1 15 . 1 1 59 59 THR CA C 59 61.980 61.980 61.582 0.398 17767 10029 1 15 . 1 1 59 59 THR CB C 59 71.150 71.150 70.505 0.645 17767 10030 1 15 . 1 1 59 59 THR H H 59 8.870 8.870 8.380 0.490 17767 10031 1 15 . 1 1 60 60 ASN N N 60 124.700 124.700 125.298 -0.598 17767 10032 1 15 . 1 1 60 60 ASN HA H 60 5.270 5.270 5.090 0.180 17767 10033 1 15 . 1 1 60 60 ASN C C 60 173.300 173.300 173.482 -0.182 17767 10034 1 15 . 1 1 60 60 ASN CA C 60 53.000 53.000 52.900 0.100 17767 10035 1 15 . 1 1 60 60 ASN CB C 60 44.700 44.700 42.579 2.121 17767 10036 1 15 . 1 1 60 60 ASN H H 60 9.180 9.180 9.068 0.112 17767 10037 1 15 . 1 1 61 61 SER N N 61 115.980 115.980 117.401 -1.421 17767 10038 1 15 . 1 1 61 61 SER HA H 61 5.430 5.430 5.463 -0.033 17767 10039 1 15 . 1 1 61 61 SER C C 61 173.300 173.300 173.163 0.137 17767 10040 1 15 . 1 1 61 61 SER CA C 61 57.060 57.060 56.730 0.330 17767 10041 1 15 . 1 1 61 61 SER CB C 61 65.590 65.590 66.645 -1.055 17767 10042 1 15 . 1 1 61 61 SER H H 61 8.840 8.840 8.659 0.181 17767 10043 1 15 . 1 1 62 62 PHE N N 62 117.670 117.670 116.753 0.917 17767 10044 1 15 . 1 1 62 62 PHE HA H 62 5.020 5.020 4.893 0.127 17767 10045 1 15 . 1 1 62 62 PHE C C 62 173.100 173.100 173.090 0.010 17767 10046 1 15 . 1 1 62 62 PHE CA C 62 56.590 56.590 57.107 -0.517 17767 10047 1 15 . 1 1 62 62 PHE CB C 62 40.030 40.030 40.404 -0.374 17767 10048 1 15 . 1 1 62 62 PHE H H 62 8.235 8.235 8.851 -0.616 17767 10049 1 15 . 1 1 63 63 THR N N 63 119.920 119.920 116.269 3.651 17767 10050 1 15 . 1 1 63 63 THR HA H 63 5.500 5.500 5.060 0.440 17767 10051 1 15 . 1 1 63 63 THR C C 63 175.600 175.600 174.836 0.764 17767 10052 1 15 . 1 1 63 63 THR CA C 63 61.170 61.170 61.418 -0.248 17767 10053 1 15 . 1 1 63 63 THR CB C 63 72.320 72.320 70.510 1.810 17767 10054 1 15 . 1 1 63 63 THR H H 63 9.650 9.650 8.732 0.918 17767 10055 1 15 . 1 1 64 64 LEU N N 64 126.300 126.300 127.877 -1.577 17767 10056 1 15 . 1 1 64 64 LEU HA H 64 4.430 4.430 3.931 0.499 17767 10057 1 15 . 1 1 64 64 LEU C C 64 178.000 178.000 177.650 0.350 17767 10058 1 15 . 1 1 64 64 LEU CA C 64 56.100 56.100 56.071 0.029 17767 10059 1 15 . 1 1 64 64 LEU CB C 64 41.330 41.330 40.346 0.984 17767 10060 1 15 . 1 1 64 64 LEU H H 64 9.280 9.280 9.013 0.267 17767 10061 1 15 . 1 1 65 65 GLY N N 65 107.520 107.520 111.836 -4.316 17767 10062 1 15 . 1 1 65 65 GLY C C 65 173.800 173.800 173.948 -0.148 17767 10063 1 15 . 1 1 65 65 GLY CA C 65 45.780 45.780 44.909 0.871 17767 10064 1 15 . 1 1 65 65 GLY H H 65 9.110 9.110 8.975 0.135 17767 10065 1 15 . 1 1 66 66 LYS N N 66 121.600 121.600 121.519 0.081 17767 10066 1 15 . 1 1 66 66 LYS HA H 66 4.780 4.780 4.643 0.137 17767 10067 1 15 . 1 1 66 66 LYS C C 66 175.600 175.600 175.323 0.277 17767 10068 1 15 . 1 1 66 66 LYS CA C 66 54.100 54.100 54.310 -0.210 17767 10069 1 15 . 1 1 66 66 LYS CB C 66 34.620 34.620 34.675 -0.056 17767 10070 1 15 . 1 1 66 66 LYS H H 66 7.910 7.910 8.053 -0.143 17767 10071 1 15 . 1 1 67 67 GLU N N 67 129.400 129.400 122.107 7.293 17767 10072 1 15 . 1 1 67 67 GLU HA H 67 4.070 4.070 4.743 -0.673 17767 10073 1 15 . 1 1 67 67 GLU C C 67 175.030 175.030 175.599 -0.569 17767 10074 1 15 . 1 1 67 67 GLU CA C 67 59.220 59.220 55.413 3.807 17767 10075 1 15 . 1 1 67 67 GLU CB C 67 30.400 30.400 30.952 -0.552 17767 10076 1 15 . 1 1 67 67 GLU H H 67 8.940 8.940 8.706 0.234 17767 10077 1 15 . 1 1 68 68 ALA N N 68 130.940 130.940 130.358 0.582 17767 10078 1 15 . 1 1 68 68 ALA HA H 68 4.900 4.900 4.770 0.130 17767 10079 1 15 . 1 1 68 68 ALA C C 68 176.000 176.000 175.574 0.426 17767 10080 1 15 . 1 1 68 68 ALA CA C 68 51.000 51.000 50.678 0.322 17767 10081 1 15 . 1 1 68 68 ALA CB C 68 22.440 22.440 22.358 0.082 17767 10082 1 15 . 1 1 68 68 ALA H H 68 8.660 8.660 8.746 -0.086 17767 10083 1 15 . 1 1 69 69 ASP N N 69 120.500 120.500 122.147 -1.647 17767 10084 1 15 . 1 1 69 69 ASP HA H 69 5.000 5.000 4.770 0.230 17767 10085 1 15 . 1 1 69 69 ASP C C 69 174.400 174.400 175.839 -1.439 17767 10086 1 15 . 1 1 69 69 ASP CA C 69 54.670 54.670 53.613 1.057 17767 10087 1 15 . 1 1 69 69 ASP CB C 69 41.930 41.930 39.963 1.967 17767 10088 1 15 . 1 1 69 69 ASP H H 69 8.330 8.330 8.575 -0.245 17767 10089 1 15 . 1 1 70 70 ILE N N 70 125.540 125.540 119.026 6.514 17767 10090 1 15 . 1 1 70 70 ILE HA H 70 4.510 4.510 4.583 -0.073 17767 10091 1 15 . 1 1 70 70 ILE C C 70 175.300 175.300 174.971 0.329 17767 10092 1 15 . 1 1 70 70 ILE CA C 70 57.690 57.690 59.288 -1.598 17767 10093 1 15 . 1 1 70 70 ILE CB C 70 40.040 40.040 40.361 -0.321 17767 10094 1 15 . 1 1 70 70 ILE H H 70 8.850 8.850 7.951 0.899 17767 10095 1 15 . 1 1 71 71 THR N N 71 123.860 123.860 117.561 6.299 17767 10096 1 15 . 1 1 71 71 THR HA H 71 5.240 5.240 4.961 0.279 17767 10097 1 15 . 1 1 71 71 THR C C 71 174.600 174.600 174.184 0.416 17767 10098 1 15 . 1 1 71 71 THR CA C 71 61.610 61.610 61.342 0.268 17767 10099 1 15 . 1 1 71 71 THR CB C 71 70.370 70.370 70.274 0.096 17767 10100 1 15 . 1 1 71 71 THR H H 71 9.460 9.460 8.532 0.928 17767 10101 1 15 . 1 1 72 72 THR N N 72 115.980 115.980 118.744 -2.764 17767 10102 1 15 . 1 1 72 72 THR HA H 72 4.550 4.550 4.619 -0.069 17767 10103 1 15 . 1 1 72 72 THR C C 72 177.300 177.300 176.794 0.506 17767 10104 1 15 . 1 1 72 72 THR CA C 72 60.550 60.550 59.720 0.830 17767 10105 1 15 . 1 1 72 72 THR CB C 72 70.710 70.710 70.282 0.428 17767 10106 1 15 . 1 1 72 72 THR H H 72 8.700 8.700 8.055 0.645 17767 10107 1 15 . 1 1 73 73 MET N N 73 119.830 119.830 120.777 -0.947 17767 10108 1 15 . 1 1 73 73 MET HA H 73 4.110 4.110 4.358 -0.248 17767 10109 1 15 . 1 1 73 73 MET C C 73 176.200 176.200 176.175 0.025 17767 10110 1 15 . 1 1 73 73 MET CA C 73 58.900 58.900 57.406 1.494 17767 10111 1 15 . 1 1 73 73 MET CB C 73 34.760 34.760 32.141 2.619 17767 10112 1 15 . 1 1 73 73 MET H H 73 10.360 10.360 8.525 1.835 17767 10113 1 15 . 1 1 74 74 ASP N N 74 112.220 112.220 116.664 -4.444 17767 10114 1 15 . 1 1 74 74 ASP HA H 74 4.800 4.800 4.556 0.244 17767 10115 1 15 . 1 1 74 74 ASP C C 74 175.600 175.600 177.418 -1.818 17767 10116 1 15 . 1 1 74 74 ASP CA C 74 52.630 52.630 53.487 -0.857 17767 10117 1 15 . 1 1 74 74 ASP CB C 74 38.870 38.870 41.081 -2.211 17767 10118 1 15 . 1 1 74 74 ASP H H 74 8.680 8.680 7.542 1.138 17767 10119 1 15 . 1 1 75 75 GLY N N 75 108.040 108.040 108.082 -0.042 17767 10120 1 15 . 1 1 75 75 GLY C C 75 175.000 175.000 174.227 0.773 17767 10121 1 15 . 1 1 75 75 GLY CA C 75 46.400 46.400 45.391 1.009 17767 10122 1 15 . 1 1 75 75 GLY H H 75 7.600 7.600 7.786 -0.186 17767 10123 1 15 . 1 1 76 76 LYS N N 76 120.500 120.500 118.696 1.804 17767 10124 1 15 . 1 1 76 76 LYS HA H 76 4.440 4.440 4.521 -0.081 17767 10125 1 15 . 1 1 76 76 LYS C C 76 175.400 175.400 174.752 0.648 17767 10126 1 15 . 1 1 76 76 LYS CA C 76 55.240 55.240 54.729 0.511 17767 10127 1 15 . 1 1 76 76 LYS CB C 76 33.500 33.500 36.358 -2.858 17767 10128 1 15 . 1 1 76 76 LYS H H 76 8.260 8.260 7.669 0.591 17767 10129 1 15 . 1 1 77 77 LYS N N 77 119.300 119.300 124.903 -5.603 17767 10130 1 15 . 1 1 77 77 LYS HA H 77 5.370 5.370 4.437 0.933 17767 10131 1 15 . 1 1 77 77 LYS C C 77 176.100 176.100 175.677 0.423 17767 10132 1 15 . 1 1 77 77 LYS CA C 77 54.360 54.360 56.462 -2.102 17767 10133 1 15 . 1 1 77 77 LYS CB C 77 32.840 32.840 32.067 0.773 17767 10134 1 15 . 1 1 77 77 LYS H H 77 8.130 8.130 8.498 -0.368 17767 10135 1 15 . 1 1 78 78 LEU N N 78 123.860 123.860 126.777 -2.917 17767 10136 1 15 . 1 1 78 78 LEU HA H 78 4.910 4.910 4.819 0.091 17767 10137 1 15 . 1 1 78 78 LEU C C 78 175.600 175.600 174.970 0.630 17767 10138 1 15 . 1 1 78 78 LEU CA C 78 53.170 53.170 53.309 -0.139 17767 10139 1 15 . 1 1 78 78 LEU CB C 78 45.780 45.780 45.590 0.189 17767 10140 1 15 . 1 1 78 78 LEU H H 78 9.028 9.028 8.177 0.851 17767 10141 1 15 . 1 1 79 79 LYS N N 79 119.280 119.280 117.512 1.768 17767 10142 1 15 . 1 1 79 79 LYS HA H 79 5.615 5.615 4.850 0.765 17767 10143 1 15 . 1 1 79 79 LYS C C 79 176.600 176.600 174.619 1.981 17767 10144 1 15 . 1 1 79 79 LYS CA C 79 55.000 55.000 55.542 -0.542 17767 10145 1 15 . 1 1 79 79 LYS CB C 79 36.850 36.850 33.599 3.251 17767 10146 1 15 . 1 1 79 79 LYS H H 79 8.240 8.240 7.960 0.280 17767 10147 1 15 . 1 1 80 80 CYS N N 80 115.980 115.980 123.427 -7.447 17767 10148 1 15 . 1 1 80 80 CYS HA H 80 4.700 4.700 4.837 -0.137 17767 10149 1 15 . 1 1 80 80 CYS C C 80 173.500 173.500 173.675 -0.175 17767 10150 1 15 . 1 1 80 80 CYS CA C 80 56.500 56.500 57.355 -0.855 17767 10151 1 15 . 1 1 80 80 CYS CB C 80 45.700 45.700 30.524 15.175 17767 10152 1 15 . 1 1 80 80 CYS H H 80 8.306 8.306 8.527 -0.221 17767 10153 1 15 . 1 1 81 81 THR N N 81 122.000 122.000 125.260 -3.260 17767 10154 1 15 . 1 1 81 81 THR HA H 81 4.303 4.303 4.707 -0.404 17767 10155 1 15 . 1 1 81 81 THR C C 81 173.100 173.100 173.981 -0.881 17767 10156 1 15 . 1 1 81 81 THR CA C 81 62.460 62.460 61.678 0.782 17767 10157 1 15 . 1 1 81 81 THR CB C 81 68.200 68.200 68.462 -0.262 17767 10158 1 15 . 1 1 81 81 THR H H 81 8.840 8.840 8.765 0.075 17767 10159 1 15 . 1 1 82 82 VAL N N 82 132.160 132.160 126.659 5.501 17767 10160 1 15 . 1 1 82 82 VAL HA H 82 4.449 4.449 4.611 -0.162 17767 10161 1 15 . 1 1 82 82 VAL C C 82 175.100 175.100 175.309 -0.209 17767 10162 1 15 . 1 1 82 82 VAL CA C 82 61.760 61.760 61.989 -0.229 17767 10163 1 15 . 1 1 82 82 VAL CB C 82 31.200 31.200 31.923 -0.723 17767 10164 1 15 . 1 1 82 82 VAL H H 82 9.520 9.520 7.907 1.613 17767 10165 1 15 . 1 1 83 83 HIS N N 83 123.860 123.860 121.644 2.216 17767 10166 1 15 . 1 1 83 83 HIS HA H 83 5.009 5.009 4.739 0.270 17767 10167 1 15 . 1 1 83 83 HIS C C 83 173.500 173.500 172.633 0.867 17767 10168 1 15 . 1 1 83 83 HIS CA C 83 55.300 55.300 54.397 0.903 17767 10169 1 15 . 1 1 83 83 HIS CB C 83 33.400 33.400 32.512 0.888 17767 10170 1 15 . 1 1 83 83 HIS H H 83 8.740 8.740 8.489 0.251 17767 10171 1 15 . 1 1 84 84 LEU N N 84 121.600 121.600 124.595 -2.995 17767 10172 1 15 . 1 1 84 84 LEU HA H 84 5.420 5.420 4.850 0.570 17767 10173 1 15 . 1 1 84 84 LEU C C 84 176.500 176.500 175.615 0.885 17767 10174 1 15 . 1 1 84 84 LEU CA C 84 53.790 53.790 54.103 -0.313 17767 10175 1 15 . 1 1 84 84 LEU CB C 84 44.740 44.740 42.864 1.876 17767 10176 1 15 . 1 1 84 84 LEU H H 84 8.850 8.850 8.463 0.387 17767 10177 1 15 . 1 1 85 85 ALA N N 85 128.800 128.800 130.599 -1.799 17767 10178 1 15 . 1 1 85 85 ALA HA H 85 4.750 4.750 4.685 0.065 17767 10179 1 15 . 1 1 85 85 ALA C C 85 177.000 177.000 176.672 0.328 17767 10180 1 15 . 1 1 85 85 ALA CA C 85 51.480 51.480 51.171 0.309 17767 10181 1 15 . 1 1 85 85 ALA CB C 85 20.910 20.910 20.965 -0.055 17767 10182 1 15 . 1 1 85 85 ALA H H 85 9.230 9.230 8.967 0.263 17767 10183 1 15 . 1 1 86 86 ASN HA H 86 4.430 4.430 4.341 0.089 17767 10184 1 15 . 1 1 86 86 ASN C C 86 175.400 175.400 175.209 0.191 17767 10185 1 15 . 1 1 86 86 ASN CA C 86 54.140 54.140 53.963 0.177 17767 10186 1 15 . 1 1 86 86 ASN CB C 86 37.550 37.550 37.519 0.031 17767 10187 1 15 . 1 1 87 87 GLY N N 87 103.430 103.430 101.050 2.380 17767 10188 1 15 . 1 1 87 87 GLY C C 87 173.800 173.800 173.993 -0.193 17767 10189 1 15 . 1 1 87 87 GLY CA C 87 45.670 45.670 45.280 0.390 17767 10190 1 15 . 1 1 87 87 GLY H H 87 8.620 8.620 8.542 0.078 17767 10191 1 15 . 1 1 88 88 LYS N N 88 120.490 120.490 119.991 0.499 17767 10192 1 15 . 1 1 88 88 LYS HA H 88 5.120 5.120 4.774 0.346 17767 10193 1 15 . 1 1 88 88 LYS C C 88 175.500 175.500 174.475 1.025 17767 10194 1 15 . 1 1 88 88 LYS CA C 88 55.140 55.140 54.745 0.395 17767 10195 1 15 . 1 1 88 88 LYS CB C 88 34.610 34.610 34.805 -0.195 17767 10196 1 15 . 1 1 88 88 LYS H H 88 7.880 7.880 7.721 0.159 17767 10197 1 15 . 1 1 89 89 LEU N N 89 124.420 124.420 125.240 -0.820 17767 10198 1 15 . 1 1 89 89 LEU HA H 89 4.730 4.730 4.409 0.321 17767 10199 1 15 . 1 1 89 89 LEU C C 89 176.700 176.700 175.230 1.470 17767 10200 1 15 . 1 1 89 89 LEU CA C 89 54.500 54.500 54.406 0.094 17767 10201 1 15 . 1 1 89 89 LEU CB C 89 44.150 44.150 42.379 1.771 17767 10202 1 15 . 1 1 89 89 LEU H H 89 8.780 8.780 8.786 -0.006 17767 10203 1 15 . 1 1 90 90 VAL N N 90 122.500 122.500 124.120 -1.620 17767 10204 1 15 . 1 1 90 90 VAL HA H 90 5.420 5.420 4.209 1.211 17767 10205 1 15 . 1 1 90 90 VAL C C 90 175.200 175.200 174.007 1.193 17767 10206 1 15 . 1 1 90 90 VAL CA C 90 60.350 60.350 59.687 0.663 17767 10207 1 15 . 1 1 90 90 VAL CB C 90 35.930 35.930 32.772 3.158 17767 10208 1 15 . 1 1 90 90 VAL H H 90 9.050 9.050 8.445 0.605 17767 10209 1 15 . 1 1 91 91 CYS N N 91 123.100 123.100 128.338 -5.238 17767 10210 1 15 . 1 1 91 91 CYS HA H 91 5.370 5.370 4.867 0.503 17767 10211 1 15 . 1 1 91 91 CYS C C 91 172.700 172.700 172.708 -0.008 17767 10212 1 15 . 1 1 91 91 CYS CA C 91 55.230 55.230 57.591 -2.361 17767 10213 1 15 . 1 1 91 91 CYS CB C 91 42.970 42.970 27.844 15.126 17767 10214 1 15 . 1 1 91 91 CYS H H 91 8.820 8.820 8.225 0.595 17767 10215 1 15 . 1 1 92 92 LYS N N 92 128.900 128.900 129.142 -0.242 17767 10216 1 15 . 1 1 92 92 LYS HA H 92 5.000 5.000 4.636 0.364 17767 10217 1 15 . 1 1 92 92 LYS C C 92 174.270 174.270 175.009 -0.739 17767 10218 1 15 . 1 1 92 92 LYS CA C 92 55.360 55.360 54.799 0.561 17767 10219 1 15 . 1 1 92 92 LYS CB C 92 35.960 35.960 35.188 0.772 17767 10220 1 15 . 1 1 92 92 LYS H H 92 9.450 9.450 8.071 1.379 17767 10221 1 15 . 1 1 93 93 SER N N 93 119.300 119.300 118.086 1.214 17767 10222 1 15 . 1 1 93 93 SER HA H 93 4.710 4.710 4.833 -0.123 17767 10223 1 15 . 1 1 93 93 SER C C 93 174.200 174.200 174.915 -0.715 17767 10224 1 15 . 1 1 93 93 SER CA C 93 55.430 55.430 56.379 -0.949 17767 10225 1 15 . 1 1 93 93 SER CB C 93 66.460 66.460 64.972 1.488 17767 10226 1 15 . 1 1 93 93 SER H H 93 8.620 8.620 8.704 -0.084 17767 10227 1 15 . 1 1 94 94 GLU N N 94 119.900 119.900 119.274 0.626 17767 10228 1 15 . 1 1 94 94 GLU HA H 94 4.090 4.090 4.419 -0.329 17767 10229 1 15 . 1 1 94 94 GLU C C 94 177.600 177.600 175.946 1.654 17767 10230 1 15 . 1 1 94 94 GLU CA C 94 59.440 59.440 57.995 1.445 17767 10231 1 15 . 1 1 94 94 GLU CB C 94 29.360 29.360 29.661 -0.301 17767 10232 1 15 . 1 1 94 94 GLU H H 94 8.670 8.670 8.579 0.091 17767 10233 1 15 . 1 1 95 95 LYS N N 95 113.500 113.500 116.960 -3.460 17767 10234 1 15 . 1 1 95 95 LYS HA H 95 4.430 4.430 4.126 0.304 17767 10235 1 15 . 1 1 95 95 LYS C C 95 175.980 175.980 175.098 0.882 17767 10236 1 15 . 1 1 95 95 LYS CA C 95 56.180 56.180 56.203 -0.023 17767 10237 1 15 . 1 1 95 95 LYS CB C 95 35.220 35.220 33.088 2.132 17767 10238 1 15 . 1 1 95 95 LYS H H 95 8.300 8.300 7.764 0.536 17767 10239 1 15 . 1 1 96 96 PHE N N 96 113.270 113.270 117.826 -4.556 17767 10240 1 15 . 1 1 96 96 PHE HA H 96 5.860 5.860 4.526 1.334 17767 10241 1 15 . 1 1 96 96 PHE C C 96 173.900 173.900 174.064 -0.164 17767 10242 1 15 . 1 1 96 96 PHE CA C 96 55.890 55.890 56.149 -0.259 17767 10243 1 15 . 1 1 96 96 PHE CB C 96 43.560 43.560 41.578 1.982 17767 10244 1 15 . 1 1 96 96 PHE H H 96 7.000 7.000 7.503 -0.503 17767 10245 1 15 . 1 1 97 97 SER N N 97 112.050 112.050 112.157 -0.107 17767 10246 1 15 . 1 1 97 97 SER HA H 97 5.220 5.220 4.733 0.487 17767 10247 1 15 . 1 1 97 97 SER C C 97 172.560 172.560 172.652 -0.092 17767 10248 1 15 . 1 1 97 97 SER CA C 97 57.870 57.870 58.286 -0.416 17767 10249 1 15 . 1 1 97 97 SER CB C 97 65.990 65.990 65.664 0.326 17767 10250 1 15 . 1 1 97 97 SER H H 97 8.790 8.790 8.703 0.087 17767 10251 1 15 . 1 1 98 98 HIS N N 98 126.300 126.300 123.745 2.555 17767 10252 1 15 . 1 1 98 98 HIS HA H 98 5.190 5.190 4.953 0.237 17767 10253 1 15 . 1 1 98 98 HIS C C 98 174.500 174.500 173.851 0.649 17767 10254 1 15 . 1 1 98 98 HIS CA C 98 56.260 56.260 54.960 1.300 17767 10255 1 15 . 1 1 98 98 HIS CB C 98 36.270 36.270 32.836 3.434 17767 10256 1 15 . 1 1 98 98 HIS H H 98 9.190 9.190 9.171 0.019 17767 10257 1 15 . 1 1 99 99 GLU N N 99 126.670 126.670 128.083 -1.413 17767 10258 1 15 . 1 1 99 99 GLU HA H 99 5.390 5.390 4.711 0.679 17767 10259 1 15 . 1 1 99 99 GLU C C 99 175.400 175.400 175.120 0.280 17767 10260 1 15 . 1 1 99 99 GLU CA C 99 55.000 55.000 55.171 -0.171 17767 10261 1 15 . 1 1 99 99 GLU CB C 99 34.000 34.000 31.601 2.399 17767 10262 1 15 . 1 1 99 99 GLU H H 99 8.350 8.350 8.649 -0.299 17767 10263 1 15 . 1 1 101 101 GLU N N 101 125.500 125.500 124.836 0.664 17767 10264 1 15 . 1 1 101 101 GLU HA H 101 5.160 5.160 4.627 0.533 17767 10265 1 15 . 1 1 101 101 GLU CA C 101 54.090 54.090 54.799 -0.709 17767 10266 1 15 . 1 1 101 101 GLU CB C 101 34.800 34.800 33.122 1.678 17767 10267 1 15 . 1 1 101 101 GLU H H 101 8.900 8.900 8.454 0.446 17767 10268 1 15 . 1 1 102 102 VAL N N 102 124.420 124.420 125.319 -0.899 17767 10269 1 15 . 1 1 102 102 VAL HA H 102 4.630 4.630 4.396 0.234 17767 10270 1 15 . 1 1 102 102 VAL C C 102 175.200 175.200 175.414 -0.214 17767 10271 1 15 . 1 1 102 102 VAL CA C 102 61.380 61.380 60.991 0.389 17767 10272 1 15 . 1 1 102 102 VAL CB C 102 34.100 34.100 32.335 1.765 17767 10273 1 15 . 1 1 102 102 VAL H H 102 8.790 8.790 8.538 0.252 17767 10274 1 15 . 1 1 103 103 LYS N N 103 129.480 129.480 127.710 1.770 17767 10275 1 15 . 1 1 103 103 LYS HA H 103 4.570 4.570 4.611 -0.041 17767 10276 1 15 . 1 1 103 103 LYS C C 103 176.500 176.500 176.807 -0.307 17767 10277 1 15 . 1 1 103 103 LYS CA C 103 55.340 55.340 55.212 0.128 17767 10278 1 15 . 1 1 103 103 LYS CB C 103 33.760 33.760 34.046 -0.286 17767 10279 1 15 . 1 1 103 103 LYS H H 103 8.950 8.950 8.854 0.096 17767 10280 1 15 . 1 1 104 104 GLY N N 104 116.700 116.700 116.866 -0.166 17767 10281 1 15 . 1 1 104 104 GLY C C 104 174.500 174.500 174.449 0.051 17767 10282 1 15 . 1 1 104 104 GLY CA C 104 47.680 47.680 47.124 0.556 17767 10283 1 15 . 1 1 104 104 GLY H H 104 9.140 9.140 8.935 0.205 17767 10284 1 15 . 1 1 105 105 ASN N N 105 125.540 125.540 122.243 3.297 17767 10285 1 15 . 1 1 105 105 ASN HA H 105 5.000 5.000 4.924 0.076 17767 10286 1 15 . 1 1 105 105 ASN CA C 105 53.130 53.130 52.617 0.513 17767 10287 1 15 . 1 1 105 105 ASN CB C 105 39.060 39.060 39.828 -0.768 17767 10288 1 15 . 1 1 105 105 ASN H H 105 9.030 9.030 8.550 0.480 17767 10289 1 15 . 1 1 106 106 GLU N N 106 120.480 120.480 119.907 0.573 17767 10290 1 15 . 1 1 106 106 GLU HA H 106 5.550 5.550 5.139 0.411 17767 10291 1 15 . 1 1 106 106 GLU CA C 106 55.550 55.550 55.551 -0.001 17767 10292 1 15 . 1 1 106 106 GLU CB C 106 33.160 33.160 34.136 -0.976 17767 10293 1 15 . 1 1 106 106 GLU H H 106 8.100 8.100 8.006 0.094 17767 10294 1 15 . 1 1 107 107 MET N N 107 124.080 124.080 123.221 0.859 17767 10295 1 15 . 1 1 107 107 MET HA H 107 5.120 5.120 5.167 -0.047 17767 10296 1 15 . 1 1 107 107 MET CA C 107 53.700 53.700 53.931 -0.231 17767 10297 1 15 . 1 1 107 107 MET CB C 107 36.800 36.800 36.391 0.409 17767 10298 1 15 . 1 1 107 107 MET H H 107 8.930 8.930 9.218 -0.288 17767 10299 1 15 . 1 1 108 108 VAL N N 108 126.820 126.820 126.048 0.772 17767 10300 1 15 . 1 1 108 108 VAL HA H 108 5.250 5.250 4.384 0.866 17767 10301 1 15 . 1 1 108 108 VAL CA C 108 61.340 61.340 61.051 0.289 17767 10302 1 15 . 1 1 108 108 VAL CB C 108 34.900 34.900 33.700 1.200 17767 10303 1 15 . 1 1 108 108 VAL H H 108 9.017 9.017 8.961 0.056 17767 10304 1 15 . 1 1 109 109 GLU N N 109 128.300 128.300 126.818 1.482 17767 10305 1 15 . 1 1 109 109 GLU HA H 109 5.040 5.040 5.061 -0.021 17767 10306 1 15 . 1 1 109 109 GLU C C 109 174.410 174.410 174.924 -0.514 17767 10307 1 15 . 1 1 109 109 GLU CA C 109 54.440 54.440 53.878 0.562 17767 10308 1 15 . 1 1 109 109 GLU CB C 109 34.760 34.760 33.549 1.211 17767 10309 1 15 . 1 1 109 109 GLU H H 109 9.100 9.100 8.382 0.718 17767 10310 1 15 . 1 1 110 110 THR N N 110 120.760 120.760 119.520 1.240 17767 10311 1 15 . 1 1 110 110 THR HA H 110 4.850 4.850 4.961 -0.111 17767 10312 1 15 . 1 1 110 110 THR C C 110 174.900 174.900 173.723 1.177 17767 10313 1 15 . 1 1 110 110 THR CA C 110 61.980 61.980 61.990 -0.010 17767 10314 1 15 . 1 1 110 110 THR CB C 110 69.520 69.520 70.069 -0.549 17767 10315 1 15 . 1 1 110 110 THR H H 110 8.876 8.876 8.474 0.402 17767 10316 1 15 . 1 1 111 111 ILE N N 111 131.030 131.030 126.807 4.223 17767 10317 1 15 . 1 1 111 111 ILE HA H 111 5.240 5.240 4.420 0.820 17767 10318 1 15 . 1 1 111 111 ILE C C 111 174.600 174.600 174.840 -0.240 17767 10319 1 15 . 1 1 111 111 ILE CA C 111 60.310 60.310 59.235 1.075 17767 10320 1 15 . 1 1 111 111 ILE CB C 111 41.220 41.220 40.658 0.562 17767 10321 1 15 . 1 1 111 111 ILE H H 111 9.490 9.490 8.637 0.853 17767 10322 1 15 . 1 1 112 112 THR N N 112 122.800 122.800 118.897 3.903 17767 10323 1 15 . 1 1 112 112 THR HA H 112 5.960 5.960 5.115 0.845 17767 10324 1 15 . 1 1 112 112 THR C C 112 174.370 174.370 173.222 1.148 17767 10325 1 15 . 1 1 112 112 THR CA C 112 61.180 61.180 61.444 -0.264 17767 10326 1 15 . 1 1 112 112 THR CB C 112 71.250 71.250 70.243 1.007 17767 10327 1 15 . 1 1 112 112 THR H H 112 9.490 9.490 8.141 1.349 17767 10328 1 15 . 1 1 113 113 PHE N N 113 124.980 124.980 123.733 1.247 17767 10329 1 15 . 1 1 113 113 PHE HA H 113 4.820 4.820 4.478 0.342 17767 10330 1 15 . 1 1 113 113 PHE C C 113 175.700 175.700 176.028 -0.328 17767 10331 1 15 . 1 1 113 113 PHE CA C 113 58.800 58.800 57.704 1.096 17767 10332 1 15 . 1 1 113 113 PHE CB C 113 43.480 43.480 43.197 0.283 17767 10333 1 15 . 1 1 113 113 PHE H H 113 9.000 9.000 8.518 0.482 17767 10334 1 15 . 1 1 114 114 GLY N N 114 116.550 116.550 112.075 4.475 17767 10335 1 15 . 1 1 114 114 GLY C C 114 175.300 175.300 174.724 0.576 17767 10336 1 15 . 1 1 114 114 GLY CA C 114 46.840 46.840 45.835 1.005 17767 10337 1 15 . 1 1 114 114 GLY H H 114 8.410 8.410 9.182 -0.772 17767 10338 1 15 . 1 1 115 115 GLY N N 115 105.640 105.640 106.575 -0.935 17767 10339 1 15 . 1 1 115 115 GLY C C 115 174.200 174.200 173.978 0.222 17767 10340 1 15 . 1 1 115 115 GLY CA C 115 44.890 44.890 44.989 -0.099 17767 10341 1 15 . 1 1 115 115 GLY H H 115 8.560 8.560 8.271 0.289 17767 10342 1 15 . 1 1 116 116 VAL N N 116 123.600 123.600 121.940 1.660 17767 10343 1 15 . 1 1 116 116 VAL HA H 116 4.310 4.310 4.293 0.017 17767 10344 1 15 . 1 1 116 116 VAL C C 116 174.640 174.640 175.133 -0.493 17767 10345 1 15 . 1 1 116 116 VAL CA C 116 62.250 62.250 60.909 1.341 17767 10346 1 15 . 1 1 116 116 VAL CB C 116 34.170 34.170 33.393 0.777 17767 10347 1 15 . 1 1 116 116 VAL H H 116 8.164 8.164 7.695 0.469 17767 10348 1 15 . 1 1 117 117 THR N N 117 123.270 123.270 123.877 -0.607 17767 10349 1 15 . 1 1 117 117 THR HA H 117 5.250 5.250 4.569 0.681 17767 10350 1 15 . 1 1 117 117 THR C C 117 173.800 173.800 173.526 0.274 17767 10351 1 15 . 1 1 117 117 THR CA C 117 61.900 61.900 61.340 0.560 17767 10352 1 15 . 1 1 117 117 THR CB C 117 70.450 70.450 67.963 2.487 17767 10353 1 15 . 1 1 117 117 THR H H 117 8.770 8.770 8.581 0.189 17767 10354 1 15 . 1 1 118 118 LEU N N 118 132.800 132.800 128.631 4.169 17767 10355 1 15 . 1 1 118 118 LEU HA H 118 4.880 4.880 4.389 0.491 17767 10356 1 15 . 1 1 118 118 LEU C C 118 175.200 175.200 174.601 0.599 17767 10357 1 15 . 1 1 118 118 LEU CA C 118 53.570 53.570 54.273 -0.703 17767 10358 1 15 . 1 1 118 118 LEU CB C 118 44.730 44.730 42.173 2.557 17767 10359 1 15 . 1 1 118 118 LEU H H 118 9.700 9.700 7.617 2.083 17767 10360 1 15 . 1 1 119 119 ILE N N 119 124.980 124.980 128.072 -3.092 17767 10361 1 15 . 1 1 119 119 ILE HA H 119 5.240 5.240 4.318 0.922 17767 10362 1 15 . 1 1 119 119 ILE C C 119 175.900 175.900 175.461 0.439 17767 10363 1 15 . 1 1 119 119 ILE CA C 119 59.340 59.340 60.657 -1.317 17767 10364 1 15 . 1 1 119 119 ILE CB C 119 39.550 39.550 38.227 1.323 17767 10365 1 15 . 1 1 119 119 ILE H H 119 7.800 7.800 8.188 -0.389 17767 10366 1 15 . 1 1 120 120 ARG N N 120 126.110 126.110 127.413 -1.303 17767 10367 1 15 . 1 1 120 120 ARG HA H 120 5.040 5.040 4.689 0.351 17767 10368 1 15 . 1 1 120 120 ARG C C 120 175.300 175.300 174.154 1.146 17767 10369 1 15 . 1 1 120 120 ARG CA C 120 54.990 54.990 54.914 0.076 17767 10370 1 15 . 1 1 120 120 ARG CB C 120 34.760 34.760 35.209 -0.449 17767 10371 1 15 . 1 1 120 120 ARG H H 120 9.400 9.400 8.345 1.055 17767 10372 1 15 . 1 1 121 121 ARG N N 121 126.600 126.600 120.743 5.857 17767 10373 1 15 . 1 1 121 121 ARG HA H 121 5.350 5.350 4.638 0.712 17767 10374 1 15 . 1 1 121 121 ARG C C 121 175.020 175.020 174.536 0.484 17767 10375 1 15 . 1 1 121 121 ARG CA C 121 55.250 55.250 55.208 0.042 17767 10376 1 15 . 1 1 121 121 ARG CB C 121 31.830 31.830 33.257 -1.427 17767 10377 1 15 . 1 1 121 121 ARG H H 121 9.110 9.110 8.073 1.037 17767 10378 1 15 . 1 1 122 122 SER N N 122 118.200 118.200 118.616 -0.416 17767 10379 1 15 . 1 1 122 122 SER HA H 122 5.730 5.730 5.574 0.156 17767 10380 1 15 . 1 1 122 122 SER C C 122 173.010 173.010 173.245 -0.235 17767 10381 1 15 . 1 1 122 122 SER CA C 122 58.100 58.100 57.105 0.995 17767 10382 1 15 . 1 1 122 122 SER CB C 122 66.850 66.850 66.141 0.709 17767 10383 1 15 . 1 1 122 122 SER H H 122 9.290 9.290 9.237 0.053 17767 10384 1 15 . 1 1 123 123 LYS N N 123 120.480 120.480 121.964 -1.484 17767 10385 1 15 . 1 1 123 123 LYS HA H 123 5.780 5.780 5.138 0.642 17767 10386 1 15 . 1 1 123 123 LYS C C 123 175.600 175.600 175.811 -0.211 17767 10387 1 15 . 1 1 123 123 LYS CA C 123 54.130 54.130 54.662 -0.532 17767 10388 1 15 . 1 1 123 123 LYS CB C 123 36.330 36.330 35.751 0.579 17767 10389 1 15 . 1 1 123 123 LYS H H 123 8.650 8.650 9.340 -0.690 17767 10390 1 15 . 1 1 124 124 ARG N N 124 124.980 124.980 123.080 1.900 17767 10391 1 15 . 1 1 124 124 ARG HA H 124 3.940 3.940 4.608 -0.668 17767 10392 1 15 . 1 1 124 124 ARG C C 124 176.500 176.500 175.385 1.115 17767 10393 1 15 . 1 1 124 124 ARG CA C 124 56.900 56.900 56.549 0.351 17767 10394 1 15 . 1 1 124 124 ARG CB C 124 30.380 30.380 31.445 -1.065 17767 10395 1 15 . 1 1 124 124 ARG H H 124 8.200 8.200 8.435 -0.235 17767 10396 1 16 . 1 1 2 2 PHE HA H 2 4.460 4.460 4.655 -0.195 17767 10397 1 16 . 1 1 2 2 PHE C C 2 175.900 175.900 175.812 0.088 17767 10398 1 16 . 1 1 2 2 PHE CA C 2 61.170 61.170 58.325 2.845 17767 10399 1 16 . 1 1 2 2 PHE CB C 2 40.690 40.690 39.898 0.791 17767 10400 1 16 . 1 1 3 3 SER N N 3 111.380 111.380 115.814 -4.434 17767 10401 1 16 . 1 1 3 3 SER HA H 3 4.420 4.420 4.557 -0.137 17767 10402 1 16 . 1 1 3 3 SER C C 3 174.700 174.700 174.553 0.147 17767 10403 1 16 . 1 1 3 3 SER CA C 3 60.000 60.000 59.025 0.975 17767 10404 1 16 . 1 1 3 3 SER CB C 3 64.140 64.140 62.468 1.672 17767 10405 1 16 . 1 1 3 3 SER H H 3 7.968 7.968 8.245 -0.277 17767 10406 1 16 . 1 1 4 4 GLY N N 4 111.480 111.480 110.956 0.524 17767 10407 1 16 . 1 1 4 4 GLY C C 4 171.800 171.800 171.266 0.534 17767 10408 1 16 . 1 1 4 4 GLY CA C 4 44.150 44.150 45.275 -1.125 17767 10409 1 16 . 1 1 4 4 GLY H H 4 9.080 9.080 7.846 1.234 17767 10410 1 16 . 1 1 5 5 THR N N 5 117.770 117.770 112.322 5.448 17767 10411 1 16 . 1 1 5 5 THR HA H 5 4.980 4.980 4.696 0.284 17767 10412 1 16 . 1 1 5 5 THR C C 5 173.190 173.190 173.276 -0.086 17767 10413 1 16 . 1 1 5 5 THR CA C 5 62.930 62.930 60.632 2.298 17767 10414 1 16 . 1 1 5 5 THR CB C 5 69.310 69.310 69.501 -0.192 17767 10415 1 16 . 1 1 5 5 THR H H 5 8.270 8.270 7.771 0.499 17767 10416 1 16 . 1 1 6 6 TRP N N 6 127.500 127.500 126.831 0.669 17767 10417 1 16 . 1 1 6 6 TRP HA H 6 5.130 5.130 5.371 -0.241 17767 10418 1 16 . 1 1 6 6 TRP CA C 6 55.300 55.300 55.262 0.038 17767 10419 1 16 . 1 1 6 6 TRP CB C 6 32.290 32.290 31.157 1.133 17767 10420 1 16 . 1 1 6 6 TRP H H 6 9.560 9.560 8.443 1.117 17767 10421 1 16 . 1 1 7 7 GLN HA H 7 4.970 4.970 4.748 0.222 17767 10422 1 16 . 1 1 7 7 GLN C C 7 175.900 175.900 175.424 0.476 17767 10423 1 16 . 1 1 7 7 GLN CA C 7 54.720 54.720 54.633 0.087 17767 10424 1 16 . 1 1 7 7 GLN CB C 7 32.400 32.400 31.600 0.800 17767 10425 1 16 . 1 1 8 8 VAL N N 8 131.400 131.400 124.183 7.217 17767 10426 1 16 . 1 1 8 8 VAL HA H 8 4.450 4.450 4.948 -0.498 17767 10427 1 16 . 1 1 8 8 VAL CA C 8 63.500 63.500 61.244 2.256 17767 10428 1 16 . 1 1 8 8 VAL CB C 8 32.300 32.300 32.034 0.266 17767 10429 1 16 . 1 1 8 8 VAL H H 8 8.270 8.270 8.216 0.054 17767 10430 1 16 . 1 1 9 9 TYR N N 9 123.300 123.300 120.709 2.591 17767 10431 1 16 . 1 1 9 9 TYR HA H 9 5.140 5.140 4.839 0.301 17767 10432 1 16 . 1 1 9 9 TYR C C 9 174.600 174.600 173.486 1.114 17767 10433 1 16 . 1 1 9 9 TYR CA C 9 56.600 56.600 56.928 -0.328 17767 10434 1 16 . 1 1 9 9 TYR CB C 9 40.880 40.880 38.497 2.383 17767 10435 1 16 . 1 1 9 9 TYR H H 9 9.570 9.570 9.226 0.344 17767 10436 1 16 . 1 1 10 10 ALA N N 10 125.800 125.800 128.780 -2.980 17767 10437 1 16 . 1 1 10 10 ALA HA H 10 4.680 4.680 4.382 0.298 17767 10438 1 16 . 1 1 10 10 ALA C C 10 175.200 175.200 175.634 -0.434 17767 10439 1 16 . 1 1 10 10 ALA CA C 10 51.780 51.780 51.631 0.149 17767 10440 1 16 . 1 1 10 10 ALA CB C 10 22.070 22.070 20.854 1.216 17767 10441 1 16 . 1 1 10 10 ALA H H 10 7.330 7.330 7.773 -0.443 17767 10442 1 16 . 1 1 11 11 GLN N N 11 118.300 118.300 118.876 -0.576 17767 10443 1 16 . 1 1 11 11 GLN HA H 11 5.370 5.370 4.567 0.803 17767 10444 1 16 . 1 1 11 11 GLN C C 11 174.700 174.700 174.528 0.172 17767 10445 1 16 . 1 1 11 11 GLN CA C 11 54.460 54.460 55.360 -0.900 17767 10446 1 16 . 1 1 11 11 GLN CB C 11 32.870 32.870 28.534 4.336 17767 10447 1 16 . 1 1 11 11 GLN H H 11 8.700 8.700 8.436 0.264 17767 10448 1 16 . 1 1 12 12 GLU N N 12 123.800 123.800 120.784 3.016 17767 10449 1 16 . 1 1 12 12 GLU HA H 12 4.600 4.600 4.439 0.161 17767 10450 1 16 . 1 1 12 12 GLU C C 12 175.700 175.700 176.599 -0.899 17767 10451 1 16 . 1 1 12 12 GLU CA C 12 55.300 55.300 55.258 0.042 17767 10452 1 16 . 1 1 12 12 GLU CB C 12 31.760 31.760 30.582 1.178 17767 10453 1 16 . 1 1 12 12 GLU H H 12 9.130 9.130 8.051 1.079 17767 10454 1 16 . 1 1 13 13 ASN N N 13 117.550 117.550 119.332 -1.782 17767 10455 1 16 . 1 1 13 13 ASN HA H 13 4.790 4.790 4.761 0.029 17767 10456 1 16 . 1 1 13 13 ASN C C 13 175.600 175.600 175.211 0.389 17767 10457 1 16 . 1 1 13 13 ASN CA C 13 54.100 54.100 52.863 1.237 17767 10458 1 16 . 1 1 13 13 ASN CB C 13 37.100 37.100 37.043 0.057 17767 10459 1 16 . 1 1 13 13 ASN H H 13 9.130 9.130 8.893 0.237 17767 10460 1 16 . 1 1 14 14 TYR N N 14 118.280 118.280 123.072 -4.792 17767 10461 1 16 . 1 1 14 14 TYR HA H 14 4.360 4.360 4.090 0.270 17767 10462 1 16 . 1 1 14 14 TYR C C 14 176.500 176.500 176.587 -0.087 17767 10463 1 16 . 1 1 14 14 TYR CA C 14 60.590 60.590 62.870 -2.280 17767 10464 1 16 . 1 1 14 14 TYR CB C 14 39.450 39.450 38.783 0.667 17767 10465 1 16 . 1 1 14 14 TYR H H 14 7.900 7.900 8.108 -0.208 17767 10466 1 16 . 1 1 15 15 GLU N N 15 118.600 118.600 117.647 0.953 17767 10467 1 16 . 1 1 15 15 GLU HA H 15 3.550 3.550 4.012 -0.462 17767 10468 1 16 . 1 1 15 15 GLU C C 15 178.500 178.500 178.646 -0.146 17767 10469 1 16 . 1 1 15 15 GLU CA C 15 61.170 61.170 59.594 1.575 17767 10470 1 16 . 1 1 15 15 GLU CB C 15 28.700 28.700 28.846 -0.146 17767 10471 1 16 . 1 1 15 15 GLU H H 15 8.960 8.960 9.034 -0.074 17767 10472 1 16 . 1 1 16 16 GLU N N 16 118.800 118.800 119.670 -0.870 17767 10473 1 16 . 1 1 16 16 GLU HA H 16 3.880 3.880 4.113 -0.233 17767 10474 1 16 . 1 1 16 16 GLU C C 16 178.600 178.600 178.760 -0.160 17767 10475 1 16 . 1 1 16 16 GLU CA C 16 60.300 60.300 58.657 1.643 17767 10476 1 16 . 1 1 16 16 GLU CB C 16 28.600 28.600 29.252 -0.652 17767 10477 1 16 . 1 1 16 16 GLU H H 16 9.090 9.090 8.334 0.756 17767 10478 1 16 . 1 1 17 17 PHE N N 17 124.200 124.200 121.156 3.044 17767 10479 1 16 . 1 1 17 17 PHE HA H 17 3.960 3.960 4.280 -0.321 17767 10480 1 16 . 1 1 17 17 PHE C C 17 176.400 176.400 177.922 -1.522 17767 10481 1 16 . 1 1 17 17 PHE CA C 17 62.350 62.350 59.673 2.676 17767 10482 1 16 . 1 1 17 17 PHE CB C 17 40.380 40.380 39.010 1.370 17767 10483 1 16 . 1 1 17 17 PHE H H 17 8.410 8.410 8.067 0.343 17767 10484 1 16 . 1 1 18 18 LEU N N 18 116.400 116.400 119.713 -3.313 17767 10485 1 16 . 1 1 18 18 LEU HA H 18 3.780 3.780 3.526 0.254 17767 10486 1 16 . 1 1 18 18 LEU C C 18 178.800 178.800 178.216 0.584 17767 10487 1 16 . 1 1 18 18 LEU CA C 18 58.240 58.240 57.788 0.452 17767 10488 1 16 . 1 1 18 18 LEU CB C 18 41.220 41.220 41.029 0.192 17767 10489 1 16 . 1 1 18 18 LEU H H 18 8.200 8.200 7.871 0.329 17767 10490 1 16 . 1 1 19 19 LYS N N 19 116.590 116.590 116.014 0.576 17767 10491 1 16 . 1 1 19 19 LYS HA H 19 4.040 4.040 4.079 -0.039 17767 10492 1 16 . 1 1 19 19 LYS C C 19 179.800 179.800 178.752 1.048 17767 10493 1 16 . 1 1 19 19 LYS CA C 19 58.820 58.820 58.612 0.208 17767 10494 1 16 . 1 1 19 19 LYS CB C 19 32.150 32.150 31.983 0.167 17767 10495 1 16 . 1 1 19 19 LYS H H 19 7.790 7.790 7.532 0.258 17767 10496 1 16 . 1 1 20 20 ALA N N 20 126.110 126.110 120.722 5.388 17767 10497 1 16 . 1 1 20 20 ALA HA H 20 4.160 4.160 4.317 -0.157 17767 10498 1 16 . 1 1 20 20 ALA C C 20 178.600 178.600 177.867 0.733 17767 10499 1 16 . 1 1 20 20 ALA CA C 20 55.300 55.300 53.279 2.021 17767 10500 1 16 . 1 1 20 20 ALA CB C 20 17.700 17.700 18.967 -1.267 17767 10501 1 16 . 1 1 20 20 ALA H H 20 7.990 7.990 7.445 0.545 17767 10502 1 16 . 1 1 21 21 LEU N N 21 117.110 117.110 117.692 -0.582 17767 10503 1 16 . 1 1 21 21 LEU HA H 21 3.688 3.688 4.317 -0.629 17767 10504 1 16 . 1 1 21 21 LEU C C 21 176.100 176.100 175.976 0.124 17767 10505 1 16 . 1 1 21 21 LEU CA C 21 55.400 55.400 53.583 1.817 17767 10506 1 16 . 1 1 21 21 LEU CB C 21 42.700 42.700 41.556 1.144 17767 10507 1 16 . 1 1 21 21 LEU H H 21 7.380 7.380 7.014 0.366 17767 10508 1 16 . 1 1 22 22 ALA N N 22 118.800 118.800 118.898 -0.098 17767 10509 1 16 . 1 1 22 22 ALA HA H 22 3.985 3.985 3.916 0.069 17767 10510 1 16 . 1 1 22 22 ALA C C 22 177.000 177.000 176.701 0.299 17767 10511 1 16 . 1 1 22 22 ALA CA C 22 52.370 52.370 52.616 -0.246 17767 10512 1 16 . 1 1 22 22 ALA CB C 22 15.960 15.960 16.754 -0.794 17767 10513 1 16 . 1 1 22 22 ALA H H 22 7.920 7.920 7.369 0.551 17767 10514 1 16 . 1 1 23 23 LEU N N 23 118.470 118.470 119.197 -0.727 17767 10515 1 16 . 1 1 23 23 LEU HA H 23 4.425 4.425 4.446 -0.021 17767 10516 1 16 . 1 1 23 23 LEU C C 23 174.500 174.500 174.849 -0.349 17767 10517 1 16 . 1 1 23 23 LEU CA C 23 54.130 54.130 52.410 1.720 17767 10518 1 16 . 1 1 23 23 LEU CB C 23 41.220 41.220 42.073 -0.853 17767 10519 1 16 . 1 1 23 23 LEU H H 23 6.950 6.950 7.260 -0.310 17767 10520 1 16 . 1 1 24 24 PRO HA H 24 4.475 4.475 4.525 -0.050 17767 10521 1 16 . 1 1 24 24 PRO C C 24 177.500 177.500 177.140 0.360 17767 10522 1 16 . 1 1 24 24 PRO CA C 24 62.940 62.940 62.518 0.422 17767 10523 1 16 . 1 1 24 24 PRO CB C 24 32.600 32.600 32.441 0.159 17767 10524 1 16 . 1 1 25 25 GLU N N 25 122.500 122.500 124.868 -2.368 17767 10525 1 16 . 1 1 25 25 GLU HA H 25 3.860 3.860 3.858 0.002 17767 10526 1 16 . 1 1 25 25 GLU C C 25 177.900 177.900 178.396 -0.496 17767 10527 1 16 . 1 1 25 25 GLU CA C 25 60.100 60.100 59.963 0.137 17767 10528 1 16 . 1 1 25 25 GLU CB C 25 29.690 29.690 29.341 0.349 17767 10529 1 16 . 1 1 25 25 GLU H H 25 8.840 8.840 8.970 -0.130 17767 10530 1 16 . 1 1 26 26 ASP N N 26 117.110 117.110 117.128 -0.018 17767 10531 1 16 . 1 1 26 26 ASP HA H 26 4.360 4.360 4.433 -0.073 17767 10532 1 16 . 1 1 26 26 ASP C C 26 177.900 177.900 178.294 -0.394 17767 10533 1 16 . 1 1 26 26 ASP CA C 26 57.080 57.080 56.773 0.307 17767 10534 1 16 . 1 1 26 26 ASP CB C 26 40.040 40.040 40.566 -0.526 17767 10535 1 16 . 1 1 26 26 ASP H H 26 8.920 8.920 8.535 0.385 17767 10536 1 16 . 1 1 27 27 LEU N N 27 121.990 121.990 120.852 1.138 17767 10537 1 16 . 1 1 27 27 LEU HA H 27 4.270 4.270 4.150 0.120 17767 10538 1 16 . 1 1 27 27 LEU C C 27 178.070 178.070 178.081 -0.011 17767 10539 1 16 . 1 1 27 27 LEU CA C 27 57.650 57.650 57.488 0.162 17767 10540 1 16 . 1 1 27 27 LEU CB C 27 42.230 42.230 42.201 0.029 17767 10541 1 16 . 1 1 27 27 LEU H H 27 7.220 7.220 7.466 -0.246 17767 10542 1 16 . 1 1 28 28 ILE N N 28 120.350 120.350 119.275 1.075 17767 10543 1 16 . 1 1 28 28 ILE HA H 28 3.317 3.317 3.566 -0.249 17767 10544 1 16 . 1 1 28 28 ILE C C 28 177.400 177.400 178.031 -0.631 17767 10545 1 16 . 1 1 28 28 ILE CA C 28 67.040 67.040 65.334 1.706 17767 10546 1 16 . 1 1 28 28 ILE CB C 28 37.110 37.110 37.381 -0.271 17767 10547 1 16 . 1 1 28 28 ILE H H 28 7.900 7.900 8.112 -0.212 17767 10548 1 16 . 1 1 29 29 LYS N N 29 117.110 117.110 117.825 -0.715 17767 10549 1 16 . 1 1 29 29 LYS HA H 29 3.947 3.947 4.086 -0.139 17767 10550 1 16 . 1 1 29 29 LYS C C 29 178.900 178.900 178.045 0.855 17767 10551 1 16 . 1 1 29 29 LYS CA C 29 60.000 60.000 59.035 0.965 17767 10552 1 16 . 1 1 29 29 LYS CB C 29 32.390 32.390 32.278 0.112 17767 10553 1 16 . 1 1 29 29 LYS H H 29 7.850 7.850 7.494 0.356 17767 10554 1 16 . 1 1 30 30 MET N N 30 117.110 117.110 117.035 0.075 17767 10555 1 16 . 1 1 30 30 MET HA H 30 4.320 4.320 4.582 -0.262 17767 10556 1 16 . 1 1 30 30 MET C C 30 177.500 177.500 178.295 -0.795 17767 10557 1 16 . 1 1 30 30 MET CA C 30 57.650 57.650 55.970 1.680 17767 10558 1 16 . 1 1 30 30 MET CB C 30 32.970 32.970 32.641 0.329 17767 10559 1 16 . 1 1 30 30 MET H H 30 7.450 7.450 7.519 -0.069 17767 10560 1 16 . 1 1 31 31 ALA N N 31 120.480 120.480 122.628 -2.148 17767 10561 1 16 . 1 1 31 31 ALA HA H 31 4.270 4.270 4.133 0.137 17767 10562 1 16 . 1 1 31 31 ALA CA C 31 53.545 53.545 54.882 -1.337 17767 10563 1 16 . 1 1 31 31 ALA CB C 31 19.290 19.290 18.550 0.740 17767 10564 1 16 . 1 1 31 31 ALA H H 31 8.420 8.420 8.493 -0.073 17767 10565 1 16 . 1 1 32 32 ARG N N 32 122.170 122.170 116.471 5.699 17767 10566 1 16 . 1 1 32 32 ARG HA H 32 4.109 4.109 4.104 0.005 17767 10567 1 16 . 1 1 32 32 ARG C C 32 176.500 176.500 176.652 -0.152 17767 10568 1 16 . 1 1 32 32 ARG CA C 32 61.170 61.170 58.662 2.508 17767 10569 1 16 . 1 1 32 32 ARG CB C 32 30.600 30.600 29.843 0.757 17767 10570 1 16 . 1 1 32 32 ARG H H 32 7.770 7.770 7.664 0.106 17767 10571 1 16 . 1 1 33 33 ASP N N 33 116.550 116.550 117.070 -0.520 17767 10572 1 16 . 1 1 33 33 ASP HA H 33 4.920 4.920 4.735 0.185 17767 10573 1 16 . 1 1 33 33 ASP C C 33 175.900 175.900 175.635 0.265 17767 10574 1 16 . 1 1 33 33 ASP CA C 33 54.130 54.130 53.853 0.277 17767 10575 1 16 . 1 1 33 33 ASP CB C 33 41.760 41.760 43.133 -1.373 17767 10576 1 16 . 1 1 33 33 ASP H H 33 8.330 8.330 7.661 0.669 17767 10577 1 16 . 1 1 34 34 ILE N N 34 120.060 120.060 121.448 -1.388 17767 10578 1 16 . 1 1 34 34 ILE HA H 34 4.120 4.120 3.982 0.138 17767 10579 1 16 . 1 1 34 34 ILE C C 34 176.100 176.100 174.995 1.105 17767 10580 1 16 . 1 1 34 34 ILE CA C 34 61.170 61.170 62.708 -1.538 17767 10581 1 16 . 1 1 34 34 ILE CB C 34 37.860 37.860 38.049 -0.189 17767 10582 1 16 . 1 1 34 34 ILE H H 34 7.240 7.240 7.294 -0.054 17767 10583 1 16 . 1 1 35 35 LYS N N 35 131.170 131.170 127.686 3.484 17767 10584 1 16 . 1 1 35 35 LYS HA H 35 4.700 4.700 4.847 -0.147 17767 10585 1 16 . 1 1 35 35 LYS C C 35 173.700 173.700 174.449 -0.749 17767 10586 1 16 . 1 1 35 35 LYS CA C 35 52.970 52.970 53.894 -0.924 17767 10587 1 16 . 1 1 35 35 LYS CB C 35 32.750 32.750 32.334 0.416 17767 10588 1 16 . 1 1 35 35 LYS H H 35 8.980 8.980 8.513 0.467 17767 10589 1 16 . 1 1 36 36 PRO HA H 36 4.510 4.510 4.445 0.065 17767 10590 1 16 . 1 1 36 36 PRO CA C 36 63.523 63.523 62.501 1.022 17767 10591 1 16 . 1 1 36 36 PRO CB C 36 32.840 32.840 32.369 0.471 17767 10592 1 16 . 1 1 37 37 ILE HA H 37 4.920 4.920 4.268 0.652 17767 10593 1 16 . 1 1 37 37 ILE C C 37 175.500 175.500 175.553 -0.053 17767 10594 1 16 . 1 1 37 37 ILE CA C 37 60.588 60.588 59.915 0.673 17767 10595 1 16 . 1 1 37 37 ILE CB C 37 40.630 40.630 40.328 0.302 17767 10596 1 16 . 1 1 38 38 VAL N N 38 129.000 129.000 129.501 -0.501 17767 10597 1 16 . 1 1 38 38 VAL HA H 38 5.120 5.120 4.241 0.879 17767 10598 1 16 . 1 1 38 38 VAL C C 38 175.100 175.100 174.910 0.190 17767 10599 1 16 . 1 1 38 38 VAL CA C 38 61.176 61.176 61.858 -0.681 17767 10600 1 16 . 1 1 38 38 VAL CB C 38 34.850 34.850 31.965 2.885 17767 10601 1 16 . 1 1 38 38 VAL H H 38 9.540 9.540 9.094 0.446 17767 10602 1 16 . 1 1 39 39 GLU N N 39 128.350 128.350 129.155 -0.805 17767 10603 1 16 . 1 1 39 39 GLU HA H 39 5.440 5.440 4.529 0.911 17767 10604 1 16 . 1 1 39 39 GLU C C 39 176.000 176.000 174.676 1.324 17767 10605 1 16 . 1 1 39 39 GLU CA C 39 54.720 54.720 56.439 -1.719 17767 10606 1 16 . 1 1 39 39 GLU CB C 39 32.410 32.410 30.794 1.616 17767 10607 1 16 . 1 1 39 39 GLU H H 39 9.590 9.590 8.217 1.373 17767 10608 1 16 . 1 1 40 40 ILE N N 40 126.110 126.110 126.632 -0.522 17767 10609 1 16 . 1 1 40 40 ILE HA H 40 5.050 5.050 5.073 -0.023 17767 10610 1 16 . 1 1 40 40 ILE C C 40 175.800 175.800 173.560 2.240 17767 10611 1 16 . 1 1 40 40 ILE CA C 40 61.330 61.330 58.815 2.515 17767 10612 1 16 . 1 1 40 40 ILE CB C 40 40.160 40.160 41.862 -1.702 17767 10613 1 16 . 1 1 40 40 ILE H H 40 9.630 9.630 7.967 1.663 17767 10614 1 16 . 1 1 41 41 GLN N N 41 128.360 128.360 128.283 0.077 17767 10615 1 16 . 1 1 41 41 GLN HA H 41 4.720 4.720 4.864 -0.144 17767 10616 1 16 . 1 1 41 41 GLN C C 41 173.900 173.900 173.560 0.340 17767 10617 1 16 . 1 1 41 41 GLN CA C 41 54.940 54.940 54.235 0.705 17767 10618 1 16 . 1 1 41 41 GLN CB C 41 31.820 31.820 32.513 -0.693 17767 10619 1 16 . 1 1 41 41 GLN H H 41 9.270 9.270 8.828 0.442 17767 10620 1 16 . 1 1 42 42 GLN N N 42 126.110 126.110 125.948 0.162 17767 10621 1 16 . 1 1 42 42 GLN HA H 42 4.380 4.380 4.205 0.175 17767 10622 1 16 . 1 1 42 42 GLN C C 42 174.700 174.700 175.378 -0.678 17767 10623 1 16 . 1 1 42 42 GLN CA C 42 54.150 54.150 55.236 -1.085 17767 10624 1 16 . 1 1 42 42 GLN CB C 42 30.000 30.000 30.388 -0.388 17767 10625 1 16 . 1 1 42 42 GLN H H 42 8.250 8.250 8.671 -0.421 17767 10626 1 16 . 1 1 43 43 LYS N N 43 130.610 130.610 125.868 4.742 17767 10627 1 16 . 1 1 43 43 LYS HA H 43 4.460 4.460 4.439 0.021 17767 10628 1 16 . 1 1 43 43 LYS C C 43 176.030 176.030 175.697 0.333 17767 10629 1 16 . 1 1 43 43 LYS CA C 43 55.306 55.306 55.617 -0.311 17767 10630 1 16 . 1 1 43 43 LYS CB C 43 33.270 33.270 32.712 0.558 17767 10631 1 16 . 1 1 43 43 LYS H H 43 8.820 8.820 8.001 0.819 17767 10632 1 16 . 1 1 44 44 GLY N N 44 117.110 117.110 112.390 4.720 17767 10633 1 16 . 1 1 44 44 GLY C C 44 174.300 174.300 174.071 0.229 17767 10634 1 16 . 1 1 44 44 GLY CA C 44 47.480 47.480 46.101 1.379 17767 10635 1 16 . 1 1 44 44 GLY H H 44 8.940 8.940 8.195 0.745 17767 10636 1 16 . 1 1 45 45 ASP N N 45 127.799 127.799 125.149 2.650 17767 10637 1 16 . 1 1 45 45 ASP HA H 45 4.870 4.870 4.853 0.017 17767 10638 1 16 . 1 1 45 45 ASP C C 45 174.700 174.700 174.466 0.234 17767 10639 1 16 . 1 1 45 45 ASP CA C 45 54.719 54.719 54.238 0.481 17767 10640 1 16 . 1 1 45 45 ASP CB C 45 41.270 41.270 42.778 -1.508 17767 10641 1 16 . 1 1 45 45 ASP H H 45 8.870 8.870 8.190 0.680 17767 10642 1 16 . 1 1 46 46 ASP N N 46 120.480 120.480 121.189 -0.709 17767 10643 1 16 . 1 1 46 46 ASP HA H 46 5.230 5.230 5.372 -0.142 17767 10644 1 16 . 1 1 46 46 ASP C C 46 175.070 175.070 174.300 0.770 17767 10645 1 16 . 1 1 46 46 ASP CA C 46 54.132 54.132 54.313 -0.181 17767 10646 1 16 . 1 1 46 46 ASP CB C 46 41.570 41.570 42.719 -1.149 17767 10647 1 16 . 1 1 46 46 ASP H H 46 8.060 8.060 7.430 0.630 17767 10648 1 16 . 1 1 47 47 PHE N N 47 122.730 122.730 121.562 1.168 17767 10649 1 16 . 1 1 47 47 PHE HA H 47 5.090 5.090 4.920 0.170 17767 10650 1 16 . 1 1 47 47 PHE C C 47 176.400 176.400 174.715 1.685 17767 10651 1 16 . 1 1 47 47 PHE CA C 47 56.420 56.420 56.265 0.155 17767 10652 1 16 . 1 1 47 47 PHE CB C 47 44.150 44.150 42.776 1.374 17767 10653 1 16 . 1 1 47 47 PHE H H 47 9.296 9.296 8.918 0.378 17767 10654 1 16 . 1 1 48 48 VAL N N 48 121.690 121.690 121.639 0.051 17767 10655 1 16 . 1 1 48 48 VAL HA H 48 4.500 4.500 4.485 0.015 17767 10656 1 16 . 1 1 48 48 VAL C C 48 175.700 175.700 174.838 0.862 17767 10657 1 16 . 1 1 48 48 VAL CA C 48 62.930 62.930 61.465 1.465 17767 10658 1 16 . 1 1 48 48 VAL CB C 48 34.670 34.670 33.020 1.650 17767 10659 1 16 . 1 1 48 48 VAL H H 48 8.520 8.520 9.182 -0.662 17767 10660 1 16 . 1 1 49 49 VAL N N 49 127.200 127.200 128.878 -1.678 17767 10661 1 16 . 1 1 49 49 VAL HA H 49 5.250 5.250 4.637 0.613 17767 10662 1 16 . 1 1 49 49 VAL C C 49 175.700 175.700 175.396 0.304 17767 10663 1 16 . 1 1 49 49 VAL CA C 49 61.180 61.180 60.977 0.203 17767 10664 1 16 . 1 1 49 49 VAL CB C 49 34.660 34.660 32.423 2.237 17767 10665 1 16 . 1 1 49 49 VAL H H 49 9.330 9.330 9.380 -0.050 17767 10666 1 16 . 1 1 50 50 THR N N 50 128.500 128.500 125.960 2.540 17767 10667 1 16 . 1 1 50 50 THR HA H 50 5.430 5.430 4.808 0.622 17767 10668 1 16 . 1 1 50 50 THR C C 50 173.810 173.810 173.727 0.083 17767 10669 1 16 . 1 1 50 50 THR CA C 50 61.530 61.530 61.937 -0.407 17767 10670 1 16 . 1 1 50 50 THR CB C 50 70.760 70.760 69.618 1.141 17767 10671 1 16 . 1 1 50 50 THR H H 50 9.730 9.730 9.432 0.298 17767 10672 1 16 . 1 1 51 51 SER N N 51 122.730 122.730 123.840 -1.110 17767 10673 1 16 . 1 1 51 51 SER HA H 51 5.430 5.430 4.747 0.683 17767 10674 1 16 . 1 1 51 51 SER C C 51 173.800 173.800 173.828 -0.028 17767 10675 1 16 . 1 1 51 51 SER CA C 51 57.060 57.060 57.733 -0.673 17767 10676 1 16 . 1 1 51 51 SER CB C 51 64.550 64.550 63.201 1.349 17767 10677 1 16 . 1 1 51 51 SER H H 51 9.190 9.190 8.734 0.456 17767 10678 1 16 . 1 1 52 52 LYS N N 52 125.550 125.550 127.656 -2.106 17767 10679 1 16 . 1 1 52 52 LYS HA H 52 5.310 5.310 4.557 0.753 17767 10680 1 16 . 1 1 52 52 LYS C C 52 175.900 175.900 175.302 0.598 17767 10681 1 16 . 1 1 52 52 LYS CA C 52 56.120 56.120 56.172 -0.052 17767 10682 1 16 . 1 1 52 52 LYS CB C 52 36.130 36.130 33.660 2.470 17767 10683 1 16 . 1 1 52 52 LYS H H 52 9.490 9.490 8.497 0.993 17767 10684 1 16 . 1 1 53 53 THR N N 53 115.980 115.980 117.005 -1.025 17767 10685 1 16 . 1 1 53 53 THR HA H 53 5.024 5.024 4.777 0.247 17767 10686 1 16 . 1 1 53 53 THR C C 53 173.400 173.400 173.017 0.383 17767 10687 1 16 . 1 1 53 53 THR CA C 53 59.140 59.140 58.829 0.311 17767 10688 1 16 . 1 1 53 53 THR CB C 53 69.300 69.300 70.560 -1.260 17767 10689 1 16 . 1 1 53 53 THR H H 53 8.760 8.760 8.253 0.507 17767 10690 1 16 . 1 1 54 54 PRO HA H 54 4.350 4.350 4.484 -0.134 17767 10691 1 16 . 1 1 54 54 PRO C C 54 177.200 177.200 176.585 0.615 17767 10692 1 16 . 1 1 54 54 PRO CA C 54 66.458 66.458 64.087 2.371 17767 10693 1 16 . 1 1 54 54 PRO CB C 54 32.400 32.400 31.546 0.854 17767 10694 1 16 . 1 1 55 55 ARG N N 55 111.480 111.480 116.276 -4.796 17767 10695 1 16 . 1 1 55 55 ARG HA H 55 4.510 4.510 4.528 -0.018 17767 10696 1 16 . 1 1 55 55 ARG C C 55 175.800 175.800 176.475 -0.675 17767 10697 1 16 . 1 1 55 55 ARG CA C 55 55.893 55.893 56.255 -0.362 17767 10698 1 16 . 1 1 55 55 ARG CB C 55 32.520 32.520 32.355 0.165 17767 10699 1 16 . 1 1 55 55 ARG H H 55 8.010 8.010 7.738 0.272 17767 10700 1 16 . 1 1 56 56 GLN N N 56 118.230 118.230 119.839 -1.609 17767 10701 1 16 . 1 1 56 56 GLN HA H 56 4.830 4.830 4.592 0.238 17767 10702 1 16 . 1 1 56 56 GLN C C 56 174.200 174.200 173.970 0.230 17767 10703 1 16 . 1 1 56 56 GLN CA C 56 55.610 55.610 55.330 0.280 17767 10704 1 16 . 1 1 56 56 GLN CB C 56 32.880 32.880 32.930 -0.050 17767 10705 1 16 . 1 1 56 56 GLN H H 56 7.530 7.530 8.580 -1.050 17767 10706 1 16 . 1 1 57 57 THR N N 57 120.480 120.480 120.970 -0.490 17767 10707 1 16 . 1 1 57 57 THR HA H 57 5.330 5.330 5.002 0.328 17767 10708 1 16 . 1 1 57 57 THR C C 57 174.000 174.000 174.906 -0.906 17767 10709 1 16 . 1 1 57 57 THR CA C 57 61.760 61.760 61.944 -0.184 17767 10710 1 16 . 1 1 57 57 THR CB C 57 71.500 71.500 68.983 2.517 17767 10711 1 16 . 1 1 57 57 THR H H 57 8.610 8.610 8.465 0.145 17767 10712 1 16 . 1 1 58 58 VAL N N 58 125.200 125.200 121.809 3.391 17767 10713 1 16 . 1 1 58 58 VAL HA H 58 4.540 4.540 4.626 -0.086 17767 10714 1 16 . 1 1 58 58 VAL C C 58 174.400 174.400 174.657 -0.257 17767 10715 1 16 . 1 1 58 58 VAL CA C 58 61.170 61.170 59.959 1.211 17767 10716 1 16 . 1 1 58 58 VAL CB C 58 35.560 35.560 33.661 1.899 17767 10717 1 16 . 1 1 58 58 VAL H H 58 8.830 8.830 8.272 0.558 17767 10718 1 16 . 1 1 59 59 THR N N 59 125.500 125.500 119.629 5.871 17767 10719 1 16 . 1 1 59 59 THR HA H 59 5.260 5.260 4.955 0.305 17767 10720 1 16 . 1 1 59 59 THR C C 59 173.400 173.400 173.919 -0.519 17767 10721 1 16 . 1 1 59 59 THR CA C 59 61.980 61.980 61.507 0.473 17767 10722 1 16 . 1 1 59 59 THR CB C 59 71.150 71.150 70.317 0.833 17767 10723 1 16 . 1 1 59 59 THR H H 59 8.870 8.870 8.532 0.338 17767 10724 1 16 . 1 1 60 60 ASN N N 60 124.700 124.700 125.688 -0.988 17767 10725 1 16 . 1 1 60 60 ASN HA H 60 5.270 5.270 5.088 0.182 17767 10726 1 16 . 1 1 60 60 ASN C C 60 173.300 173.300 173.689 -0.389 17767 10727 1 16 . 1 1 60 60 ASN CA C 60 53.000 53.000 52.849 0.151 17767 10728 1 16 . 1 1 60 60 ASN CB C 60 44.700 44.700 42.404 2.296 17767 10729 1 16 . 1 1 60 60 ASN H H 60 9.180 9.180 9.143 0.037 17767 10730 1 16 . 1 1 61 61 SER N N 61 115.980 115.980 118.012 -2.032 17767 10731 1 16 . 1 1 61 61 SER HA H 61 5.430 5.430 5.486 -0.056 17767 10732 1 16 . 1 1 61 61 SER C C 61 173.300 173.300 173.295 0.005 17767 10733 1 16 . 1 1 61 61 SER CA C 61 57.060 57.060 56.793 0.267 17767 10734 1 16 . 1 1 61 61 SER CB C 61 65.590 65.590 66.398 -0.808 17767 10735 1 16 . 1 1 61 61 SER H H 61 8.840 8.840 8.690 0.150 17767 10736 1 16 . 1 1 62 62 PHE N N 62 117.670 117.670 117.533 0.137 17767 10737 1 16 . 1 1 62 62 PHE HA H 62 5.020 5.020 5.109 -0.089 17767 10738 1 16 . 1 1 62 62 PHE C C 62 173.100 173.100 173.522 -0.422 17767 10739 1 16 . 1 1 62 62 PHE CA C 62 56.590 56.590 56.490 0.100 17767 10740 1 16 . 1 1 62 62 PHE CB C 62 40.030 40.030 40.897 -0.867 17767 10741 1 16 . 1 1 62 62 PHE H H 62 8.235 8.235 8.598 -0.363 17767 10742 1 16 . 1 1 63 63 THR N N 63 119.920 119.920 115.439 4.481 17767 10743 1 16 . 1 1 63 63 THR HA H 63 5.500 5.500 5.180 0.320 17767 10744 1 16 . 1 1 63 63 THR C C 63 175.600 175.600 174.711 0.889 17767 10745 1 16 . 1 1 63 63 THR CA C 63 61.170 61.170 61.079 0.091 17767 10746 1 16 . 1 1 63 63 THR CB C 63 72.320 72.320 71.085 1.235 17767 10747 1 16 . 1 1 63 63 THR H H 63 9.650 9.650 8.843 0.807 17767 10748 1 16 . 1 1 64 64 LEU N N 64 126.300 126.300 127.701 -1.401 17767 10749 1 16 . 1 1 64 64 LEU HA H 64 4.430 4.430 4.108 0.322 17767 10750 1 16 . 1 1 64 64 LEU C C 64 178.000 178.000 178.388 -0.388 17767 10751 1 16 . 1 1 64 64 LEU CA C 64 56.100 56.100 56.371 -0.271 17767 10752 1 16 . 1 1 64 64 LEU CB C 64 41.330 41.330 40.890 0.440 17767 10753 1 16 . 1 1 64 64 LEU H H 64 9.280 9.280 9.093 0.187 17767 10754 1 16 . 1 1 65 65 GLY N N 65 107.520 107.520 112.858 -5.338 17767 10755 1 16 . 1 1 65 65 GLY C C 65 173.800 173.800 173.239 0.561 17767 10756 1 16 . 1 1 65 65 GLY CA C 65 45.780 45.780 45.072 0.708 17767 10757 1 16 . 1 1 65 65 GLY H H 65 9.110 9.110 9.072 0.038 17767 10758 1 16 . 1 1 66 66 LYS N N 66 121.600 121.600 120.610 0.990 17767 10759 1 16 . 1 1 66 66 LYS HA H 66 4.780 4.780 4.625 0.155 17767 10760 1 16 . 1 1 66 66 LYS C C 66 175.600 175.600 175.500 0.100 17767 10761 1 16 . 1 1 66 66 LYS CA C 66 54.100 54.100 54.636 -0.536 17767 10762 1 16 . 1 1 66 66 LYS CB C 66 34.620 34.620 35.511 -0.891 17767 10763 1 16 . 1 1 66 66 LYS H H 66 7.910 7.910 7.924 -0.014 17767 10764 1 16 . 1 1 67 67 GLU N N 67 129.400 129.400 124.786 4.614 17767 10765 1 16 . 1 1 67 67 GLU HA H 67 4.070 4.070 4.213 -0.143 17767 10766 1 16 . 1 1 67 67 GLU C C 67 175.030 175.030 175.168 -0.138 17767 10767 1 16 . 1 1 67 67 GLU CA C 67 59.220 59.220 56.533 2.687 17767 10768 1 16 . 1 1 67 67 GLU CB C 67 30.400 30.400 30.333 0.067 17767 10769 1 16 . 1 1 67 67 GLU H H 67 8.940 8.940 8.774 0.166 17767 10770 1 16 . 1 1 68 68 ALA N N 68 130.940 130.940 128.766 2.174 17767 10771 1 16 . 1 1 68 68 ALA HA H 68 4.900 4.900 4.686 0.214 17767 10772 1 16 . 1 1 68 68 ALA C C 68 176.000 176.000 175.264 0.736 17767 10773 1 16 . 1 1 68 68 ALA CA C 68 51.000 51.000 50.971 0.028 17767 10774 1 16 . 1 1 68 68 ALA CB C 68 22.440 22.440 22.829 -0.389 17767 10775 1 16 . 1 1 68 68 ALA H H 68 8.660 8.660 8.042 0.618 17767 10776 1 16 . 1 1 69 69 ASP N N 69 120.500 120.500 122.512 -2.012 17767 10777 1 16 . 1 1 69 69 ASP HA H 69 5.000 5.000 4.774 0.226 17767 10778 1 16 . 1 1 69 69 ASP C C 69 174.400 174.400 176.334 -1.934 17767 10779 1 16 . 1 1 69 69 ASP CA C 69 54.670 54.670 54.047 0.623 17767 10780 1 16 . 1 1 69 69 ASP CB C 69 41.930 41.930 41.048 0.882 17767 10781 1 16 . 1 1 69 69 ASP H H 69 8.330 8.330 8.624 -0.294 17767 10782 1 16 . 1 1 70 70 ILE N N 70 125.540 125.540 123.715 1.825 17767 10783 1 16 . 1 1 70 70 ILE HA H 70 4.510 4.510 4.672 -0.162 17767 10784 1 16 . 1 1 70 70 ILE C C 70 175.300 175.300 174.438 0.862 17767 10785 1 16 . 1 1 70 70 ILE CA C 70 57.690 57.690 59.434 -1.744 17767 10786 1 16 . 1 1 70 70 ILE CB C 70 40.040 40.040 41.516 -1.476 17767 10787 1 16 . 1 1 70 70 ILE H H 70 8.850 8.850 8.270 0.580 17767 10788 1 16 . 1 1 71 71 THR N N 71 123.860 123.860 118.175 5.685 17767 10789 1 16 . 1 1 71 71 THR HA H 71 5.240 5.240 4.776 0.464 17767 10790 1 16 . 1 1 71 71 THR C C 71 174.600 174.600 173.806 0.794 17767 10791 1 16 . 1 1 71 71 THR CA C 71 61.610 61.610 60.936 0.674 17767 10792 1 16 . 1 1 71 71 THR CB C 71 70.370 70.370 70.638 -0.268 17767 10793 1 16 . 1 1 71 71 THR H H 71 9.460 9.460 8.086 1.374 17767 10794 1 16 . 1 1 72 72 THR N N 72 115.980 115.980 119.618 -3.638 17767 10795 1 16 . 1 1 72 72 THR HA H 72 4.550 4.550 4.499 0.051 17767 10796 1 16 . 1 1 72 72 THR C C 72 177.300 177.300 176.730 0.570 17767 10797 1 16 . 1 1 72 72 THR CA C 72 60.550 60.550 60.051 0.499 17767 10798 1 16 . 1 1 72 72 THR CB C 72 70.710 70.710 70.140 0.570 17767 10799 1 16 . 1 1 72 72 THR H H 72 8.700 8.700 8.126 0.574 17767 10800 1 16 . 1 1 73 73 MET N N 73 119.830 119.830 122.945 -3.115 17767 10801 1 16 . 1 1 73 73 MET HA H 73 4.110 4.110 4.466 -0.356 17767 10802 1 16 . 1 1 73 73 MET C C 73 176.200 176.200 176.243 -0.043 17767 10803 1 16 . 1 1 73 73 MET CA C 73 58.900 58.900 56.907 1.993 17767 10804 1 16 . 1 1 73 73 MET CB C 73 34.760 34.760 31.066 3.694 17767 10805 1 16 . 1 1 73 73 MET H H 73 10.360 10.360 8.637 1.723 17767 10806 1 16 . 1 1 74 74 ASP N N 74 112.220 112.220 120.230 -8.010 17767 10807 1 16 . 1 1 74 74 ASP HA H 74 4.800 4.800 4.421 0.379 17767 10808 1 16 . 1 1 74 74 ASP C C 74 175.600 175.600 177.064 -1.464 17767 10809 1 16 . 1 1 74 74 ASP CA C 74 52.630 52.630 55.134 -2.504 17767 10810 1 16 . 1 1 74 74 ASP CB C 74 38.870 38.870 41.770 -2.900 17767 10811 1 16 . 1 1 74 74 ASP H H 74 8.680 8.680 7.757 0.923 17767 10812 1 16 . 1 1 75 75 GLY N N 75 108.040 108.040 108.639 -0.599 17767 10813 1 16 . 1 1 75 75 GLY C C 75 175.000 175.000 173.751 1.249 17767 10814 1 16 . 1 1 75 75 GLY CA C 75 46.400 46.400 45.154 1.246 17767 10815 1 16 . 1 1 75 75 GLY H H 75 7.600 7.600 7.646 -0.046 17767 10816 1 16 . 1 1 76 76 LYS N N 76 120.500 120.500 118.559 1.941 17767 10817 1 16 . 1 1 76 76 LYS HA H 76 4.440 4.440 4.528 -0.088 17767 10818 1 16 . 1 1 76 76 LYS C C 76 175.400 175.400 175.016 0.384 17767 10819 1 16 . 1 1 76 76 LYS CA C 76 55.240 55.240 54.676 0.564 17767 10820 1 16 . 1 1 76 76 LYS CB C 76 33.500 33.500 36.009 -2.509 17767 10821 1 16 . 1 1 76 76 LYS H H 76 8.260 8.260 7.765 0.495 17767 10822 1 16 . 1 1 77 77 LYS N N 77 119.300 119.300 123.569 -4.269 17767 10823 1 16 . 1 1 77 77 LYS HA H 77 5.370 5.370 4.619 0.751 17767 10824 1 16 . 1 1 77 77 LYS C C 77 176.100 176.100 176.308 -0.208 17767 10825 1 16 . 1 1 77 77 LYS CA C 77 54.360 54.360 55.392 -1.032 17767 10826 1 16 . 1 1 77 77 LYS CB C 77 32.840 32.840 32.338 0.502 17767 10827 1 16 . 1 1 77 77 LYS H H 77 8.130 8.130 8.404 -0.274 17767 10828 1 16 . 1 1 78 78 LEU N N 78 123.860 123.860 126.008 -2.148 17767 10829 1 16 . 1 1 78 78 LEU HA H 78 4.910 4.910 4.796 0.114 17767 10830 1 16 . 1 1 78 78 LEU C C 78 175.600 175.600 175.517 0.083 17767 10831 1 16 . 1 1 78 78 LEU CA C 78 53.170 53.170 54.011 -0.841 17767 10832 1 16 . 1 1 78 78 LEU CB C 78 45.780 45.780 45.353 0.426 17767 10833 1 16 . 1 1 78 78 LEU H H 78 9.028 9.028 8.195 0.833 17767 10834 1 16 . 1 1 79 79 LYS N N 79 119.280 119.280 120.894 -1.614 17767 10835 1 16 . 1 1 79 79 LYS HA H 79 5.615 5.615 5.139 0.476 17767 10836 1 16 . 1 1 79 79 LYS C C 79 176.600 176.600 175.422 1.178 17767 10837 1 16 . 1 1 79 79 LYS CA C 79 55.000 55.000 55.053 -0.053 17767 10838 1 16 . 1 1 79 79 LYS CB C 79 36.850 36.850 33.938 2.912 17767 10839 1 16 . 1 1 79 79 LYS H H 79 8.240 8.240 8.317 -0.077 17767 10840 1 16 . 1 1 80 80 CYS N N 80 115.980 115.980 124.438 -8.458 17767 10841 1 16 . 1 1 80 80 CYS HA H 80 4.700 4.700 4.802 -0.102 17767 10842 1 16 . 1 1 80 80 CYS C C 80 173.500 173.500 174.568 -1.068 17767 10843 1 16 . 1 1 80 80 CYS CA C 80 56.500 56.500 58.167 -1.667 17767 10844 1 16 . 1 1 80 80 CYS CB C 80 45.700 45.700 29.207 16.493 17767 10845 1 16 . 1 1 80 80 CYS H H 80 8.306 8.306 8.530 -0.224 17767 10846 1 16 . 1 1 81 81 THR N N 81 122.000 122.000 127.334 -5.334 17767 10847 1 16 . 1 1 81 81 THR HA H 81 4.303 4.303 4.547 -0.244 17767 10848 1 16 . 1 1 81 81 THR C C 81 173.100 173.100 173.855 -0.755 17767 10849 1 16 . 1 1 81 81 THR CA C 81 62.460 62.460 62.110 0.350 17767 10850 1 16 . 1 1 81 81 THR CB C 81 68.200 68.200 68.313 -0.113 17767 10851 1 16 . 1 1 81 81 THR H H 81 8.840 8.840 8.820 0.020 17767 10852 1 16 . 1 1 82 82 VAL N N 82 132.160 132.160 126.661 5.499 17767 10853 1 16 . 1 1 82 82 VAL HA H 82 4.449 4.449 4.423 0.026 17767 10854 1 16 . 1 1 82 82 VAL C C 82 175.100 175.100 175.437 -0.337 17767 10855 1 16 . 1 1 82 82 VAL CA C 82 61.760 61.760 62.389 -0.629 17767 10856 1 16 . 1 1 82 82 VAL CB C 82 31.200 31.200 31.674 -0.474 17767 10857 1 16 . 1 1 82 82 VAL H H 82 9.520 9.520 7.737 1.783 17767 10858 1 16 . 1 1 83 83 HIS N N 83 123.860 123.860 122.804 1.056 17767 10859 1 16 . 1 1 83 83 HIS HA H 83 5.009 5.009 5.056 -0.047 17767 10860 1 16 . 1 1 83 83 HIS C C 83 173.500 173.500 173.147 0.353 17767 10861 1 16 . 1 1 83 83 HIS CA C 83 55.300 55.300 53.646 1.654 17767 10862 1 16 . 1 1 83 83 HIS CB C 83 33.400 33.400 33.324 0.076 17767 10863 1 16 . 1 1 83 83 HIS H H 83 8.740 8.740 8.459 0.281 17767 10864 1 16 . 1 1 84 84 LEU N N 84 121.600 121.600 125.491 -3.891 17767 10865 1 16 . 1 1 84 84 LEU HA H 84 5.420 5.420 5.096 0.324 17767 10866 1 16 . 1 1 84 84 LEU C C 84 176.500 176.500 175.529 0.971 17767 10867 1 16 . 1 1 84 84 LEU CA C 84 53.790 53.790 54.247 -0.457 17767 10868 1 16 . 1 1 84 84 LEU CB C 84 44.740 44.740 43.099 1.641 17767 10869 1 16 . 1 1 84 84 LEU H H 84 8.850 8.850 8.664 0.186 17767 10870 1 16 . 1 1 85 85 ALA N N 85 128.800 128.800 130.614 -1.814 17767 10871 1 16 . 1 1 85 85 ALA HA H 85 4.750 4.750 4.700 0.050 17767 10872 1 16 . 1 1 85 85 ALA C C 85 177.000 177.000 176.746 0.254 17767 10873 1 16 . 1 1 85 85 ALA CA C 85 51.480 51.480 51.158 0.322 17767 10874 1 16 . 1 1 85 85 ALA CB C 85 20.910 20.910 20.856 0.054 17767 10875 1 16 . 1 1 85 85 ALA H H 85 9.230 9.230 8.962 0.268 17767 10876 1 16 . 1 1 86 86 ASN HA H 86 4.430 4.430 4.328 0.102 17767 10877 1 16 . 1 1 86 86 ASN C C 86 175.400 175.400 175.091 0.309 17767 10878 1 16 . 1 1 86 86 ASN CA C 86 54.140 54.140 54.145 -0.005 17767 10879 1 16 . 1 1 86 86 ASN CB C 86 37.550 37.550 37.658 -0.108 17767 10880 1 16 . 1 1 87 87 GLY N N 87 103.430 103.430 101.076 2.354 17767 10881 1 16 . 1 1 87 87 GLY C C 87 173.800 173.800 174.034 -0.234 17767 10882 1 16 . 1 1 87 87 GLY CA C 87 45.670 45.670 45.275 0.395 17767 10883 1 16 . 1 1 87 87 GLY H H 87 8.620 8.620 8.413 0.207 17767 10884 1 16 . 1 1 88 88 LYS N N 88 120.490 120.490 119.923 0.567 17767 10885 1 16 . 1 1 88 88 LYS HA H 88 5.120 5.120 4.798 0.322 17767 10886 1 16 . 1 1 88 88 LYS C C 88 175.500 175.500 174.587 0.913 17767 10887 1 16 . 1 1 88 88 LYS CA C 88 55.140 55.140 54.761 0.379 17767 10888 1 16 . 1 1 88 88 LYS CB C 88 34.610 34.610 34.307 0.303 17767 10889 1 16 . 1 1 88 88 LYS H H 88 7.880 7.880 7.799 0.081 17767 10890 1 16 . 1 1 89 89 LEU N N 89 124.420 124.420 122.930 1.490 17767 10891 1 16 . 1 1 89 89 LEU HA H 89 4.730 4.730 4.695 0.035 17767 10892 1 16 . 1 1 89 89 LEU C C 89 176.700 176.700 175.393 1.307 17767 10893 1 16 . 1 1 89 89 LEU CA C 89 54.500 54.500 53.811 0.689 17767 10894 1 16 . 1 1 89 89 LEU CB C 89 44.150 44.150 43.416 0.734 17767 10895 1 16 . 1 1 89 89 LEU H H 89 8.780 8.780 8.426 0.354 17767 10896 1 16 . 1 1 90 90 VAL N N 90 122.500 122.500 122.506 -0.006 17767 10897 1 16 . 1 1 90 90 VAL HA H 90 5.420 5.420 4.183 1.237 17767 10898 1 16 . 1 1 90 90 VAL C C 90 175.200 175.200 174.056 1.144 17767 10899 1 16 . 1 1 90 90 VAL CA C 90 60.350 60.350 60.853 -0.504 17767 10900 1 16 . 1 1 90 90 VAL CB C 90 35.930 35.930 33.305 2.625 17767 10901 1 16 . 1 1 90 90 VAL H H 90 9.050 9.050 8.459 0.591 17767 10902 1 16 . 1 1 91 91 CYS N N 91 123.100 123.100 129.056 -5.956 17767 10903 1 16 . 1 1 91 91 CYS HA H 91 5.370 5.370 4.835 0.535 17767 10904 1 16 . 1 1 91 91 CYS C C 91 172.700 172.700 173.188 -0.488 17767 10905 1 16 . 1 1 91 91 CYS CA C 91 55.230 55.230 56.780 -1.550 17767 10906 1 16 . 1 1 91 91 CYS CB C 91 42.970 42.970 26.567 16.403 17767 10907 1 16 . 1 1 91 91 CYS H H 91 8.820 8.820 8.479 0.341 17767 10908 1 16 . 1 1 92 92 LYS N N 92 128.900 128.900 127.606 1.294 17767 10909 1 16 . 1 1 92 92 LYS HA H 92 5.000 5.000 4.517 0.483 17767 10910 1 16 . 1 1 92 92 LYS C C 92 174.270 174.270 175.548 -1.278 17767 10911 1 16 . 1 1 92 92 LYS CA C 92 55.360 55.360 55.666 -0.306 17767 10912 1 16 . 1 1 92 92 LYS CB C 92 35.960 35.960 34.401 1.559 17767 10913 1 16 . 1 1 92 92 LYS H H 92 9.450 9.450 8.322 1.128 17767 10914 1 16 . 1 1 93 93 SER N N 93 119.300 119.300 120.468 -1.168 17767 10915 1 16 . 1 1 93 93 SER HA H 93 4.710 4.710 4.812 -0.102 17767 10916 1 16 . 1 1 93 93 SER C C 93 174.200 174.200 175.127 -0.927 17767 10917 1 16 . 1 1 93 93 SER CA C 93 55.430 55.430 56.816 -1.386 17767 10918 1 16 . 1 1 93 93 SER CB C 93 66.460 66.460 64.995 1.465 17767 10919 1 16 . 1 1 93 93 SER H H 93 8.620 8.620 8.555 0.065 17767 10920 1 16 . 1 1 94 94 GLU N N 94 119.900 119.900 121.682 -1.782 17767 10921 1 16 . 1 1 94 94 GLU HA H 94 4.090 4.090 4.299 -0.209 17767 10922 1 16 . 1 1 94 94 GLU C C 94 177.600 177.600 176.892 0.708 17767 10923 1 16 . 1 1 94 94 GLU CA C 94 59.440 59.440 58.790 0.650 17767 10924 1 16 . 1 1 94 94 GLU CB C 94 29.360 29.360 29.750 -0.390 17767 10925 1 16 . 1 1 94 94 GLU H H 94 8.670 8.670 8.629 0.041 17767 10926 1 16 . 1 1 95 95 LYS N N 95 113.500 113.500 117.281 -3.781 17767 10927 1 16 . 1 1 95 95 LYS HA H 95 4.430 4.430 4.133 0.297 17767 10928 1 16 . 1 1 95 95 LYS C C 95 175.980 175.980 174.983 0.997 17767 10929 1 16 . 1 1 95 95 LYS CA C 95 56.180 56.180 55.908 0.272 17767 10930 1 16 . 1 1 95 95 LYS CB C 95 35.220 35.220 32.954 2.266 17767 10931 1 16 . 1 1 95 95 LYS H H 95 8.300 8.300 7.946 0.354 17767 10932 1 16 . 1 1 96 96 PHE N N 96 113.270 113.270 117.372 -4.102 17767 10933 1 16 . 1 1 96 96 PHE HA H 96 5.860 5.860 4.661 1.199 17767 10934 1 16 . 1 1 96 96 PHE C C 96 173.900 173.900 174.038 -0.138 17767 10935 1 16 . 1 1 96 96 PHE CA C 96 55.890 55.890 55.701 0.189 17767 10936 1 16 . 1 1 96 96 PHE CB C 96 43.560 43.560 41.928 1.632 17767 10937 1 16 . 1 1 96 96 PHE H H 96 7.000 7.000 7.447 -0.447 17767 10938 1 16 . 1 1 97 97 SER N N 97 112.050 112.050 111.932 0.118 17767 10939 1 16 . 1 1 97 97 SER HA H 97 5.220 5.220 4.702 0.518 17767 10940 1 16 . 1 1 97 97 SER C C 97 172.560 172.560 172.486 0.074 17767 10941 1 16 . 1 1 97 97 SER CA C 97 57.870 57.870 58.310 -0.440 17767 10942 1 16 . 1 1 97 97 SER CB C 97 65.990 65.990 65.665 0.325 17767 10943 1 16 . 1 1 97 97 SER H H 97 8.790 8.790 8.471 0.319 17767 10944 1 16 . 1 1 98 98 HIS N N 98 126.300 126.300 123.583 2.717 17767 10945 1 16 . 1 1 98 98 HIS HA H 98 5.190 5.190 5.151 0.039 17767 10946 1 16 . 1 1 98 98 HIS C C 98 174.500 174.500 174.454 0.046 17767 10947 1 16 . 1 1 98 98 HIS CA C 98 56.260 56.260 54.424 1.836 17767 10948 1 16 . 1 1 98 98 HIS CB C 98 36.270 36.270 32.249 4.021 17767 10949 1 16 . 1 1 98 98 HIS H H 98 9.190 9.190 8.884 0.306 17767 10950 1 16 . 1 1 99 99 GLU N N 99 126.670 126.670 127.363 -0.693 17767 10951 1 16 . 1 1 99 99 GLU HA H 99 5.390 5.390 4.644 0.746 17767 10952 1 16 . 1 1 99 99 GLU C C 99 175.400 175.400 176.261 -0.861 17767 10953 1 16 . 1 1 99 99 GLU CA C 99 55.000 55.000 55.162 -0.162 17767 10954 1 16 . 1 1 99 99 GLU CB C 99 34.000 34.000 31.169 2.831 17767 10955 1 16 . 1 1 99 99 GLU H H 99 8.350 8.350 8.676 -0.326 17767 10956 1 16 . 1 1 101 101 GLU N N 101 125.500 125.500 122.563 2.937 17767 10957 1 16 . 1 1 101 101 GLU HA H 101 5.160 5.160 4.504 0.656 17767 10958 1 16 . 1 1 101 101 GLU CA C 101 54.090 54.090 56.129 -2.039 17767 10959 1 16 . 1 1 101 101 GLU CB C 101 34.800 34.800 32.620 2.180 17767 10960 1 16 . 1 1 101 101 GLU H H 101 8.900 8.900 8.627 0.273 17767 10961 1 16 . 1 1 102 102 VAL N N 102 124.420 124.420 125.648 -1.228 17767 10962 1 16 . 1 1 102 102 VAL HA H 102 4.630 4.630 4.415 0.215 17767 10963 1 16 . 1 1 102 102 VAL C C 102 175.200 175.200 175.189 0.011 17767 10964 1 16 . 1 1 102 102 VAL CA C 102 61.380 61.380 60.706 0.674 17767 10965 1 16 . 1 1 102 102 VAL CB C 102 34.100 34.100 31.089 3.011 17767 10966 1 16 . 1 1 102 102 VAL H H 102 8.790 8.790 8.550 0.240 17767 10967 1 16 . 1 1 103 103 LYS N N 103 129.480 129.480 128.741 0.739 17767 10968 1 16 . 1 1 103 103 LYS HA H 103 4.570 4.570 4.487 0.083 17767 10969 1 16 . 1 1 103 103 LYS C C 103 176.500 176.500 176.716 -0.216 17767 10970 1 16 . 1 1 103 103 LYS CA C 103 55.340 55.340 54.455 0.885 17767 10971 1 16 . 1 1 103 103 LYS CB C 103 33.760 33.760 32.400 1.360 17767 10972 1 16 . 1 1 103 103 LYS H H 103 8.950 8.950 8.706 0.244 17767 10973 1 16 . 1 1 104 104 GLY N N 104 116.700 116.700 117.555 -0.855 17767 10974 1 16 . 1 1 104 104 GLY C C 104 174.500 174.500 174.768 -0.268 17767 10975 1 16 . 1 1 104 104 GLY CA C 104 47.680 47.680 46.908 0.772 17767 10976 1 16 . 1 1 104 104 GLY H H 104 9.140 9.140 8.610 0.530 17767 10977 1 16 . 1 1 105 105 ASN N N 105 125.540 125.540 122.836 2.704 17767 10978 1 16 . 1 1 105 105 ASN HA H 105 5.000 5.000 4.999 0.001 17767 10979 1 16 . 1 1 105 105 ASN CA C 105 53.130 53.130 52.631 0.499 17767 10980 1 16 . 1 1 105 105 ASN CB C 105 39.060 39.060 39.717 -0.657 17767 10981 1 16 . 1 1 105 105 ASN H H 105 9.030 9.030 8.525 0.505 17767 10982 1 16 . 1 1 106 106 GLU N N 106 120.480 120.480 120.498 -0.018 17767 10983 1 16 . 1 1 106 106 GLU HA H 106 5.550 5.550 5.056 0.494 17767 10984 1 16 . 1 1 106 106 GLU CA C 106 55.550 55.550 55.460 0.090 17767 10985 1 16 . 1 1 106 106 GLU CB C 106 33.160 33.160 33.728 -0.568 17767 10986 1 16 . 1 1 106 106 GLU H H 106 8.100 8.100 7.807 0.293 17767 10987 1 16 . 1 1 107 107 MET N N 107 124.080 124.080 125.394 -1.314 17767 10988 1 16 . 1 1 107 107 MET HA H 107 5.120 5.120 5.128 -0.008 17767 10989 1 16 . 1 1 107 107 MET CA C 107 53.700 53.700 54.273 -0.573 17767 10990 1 16 . 1 1 107 107 MET CB C 107 36.800 36.800 34.848 1.952 17767 10991 1 16 . 1 1 107 107 MET H H 107 8.930 8.930 8.984 -0.054 17767 10992 1 16 . 1 1 108 108 VAL N N 108 126.820 126.820 127.647 -0.827 17767 10993 1 16 . 1 1 108 108 VAL HA H 108 5.250 5.250 4.667 0.584 17767 10994 1 16 . 1 1 108 108 VAL CA C 108 61.340 61.340 60.190 1.150 17767 10995 1 16 . 1 1 108 108 VAL CB C 108 34.900 34.900 32.107 2.793 17767 10996 1 16 . 1 1 108 108 VAL H H 108 9.017 9.017 8.039 0.978 17767 10997 1 16 . 1 1 109 109 GLU N N 109 128.300 128.300 127.821 0.479 17767 10998 1 16 . 1 1 109 109 GLU HA H 109 5.040 5.040 4.915 0.125 17767 10999 1 16 . 1 1 109 109 GLU C C 109 174.410 174.410 174.712 -0.302 17767 11000 1 16 . 1 1 109 109 GLU CA C 109 54.440 54.440 54.197 0.243 17767 11001 1 16 . 1 1 109 109 GLU CB C 109 34.760 34.760 33.351 1.409 17767 11002 1 16 . 1 1 109 109 GLU H H 109 9.100 9.100 9.053 0.047 17767 11003 1 16 . 1 1 110 110 THR N N 110 120.760 120.760 114.279 6.481 17767 11004 1 16 . 1 1 110 110 THR HA H 110 4.850 4.850 4.776 0.074 17767 11005 1 16 . 1 1 110 110 THR C C 110 174.900 174.900 173.223 1.677 17767 11006 1 16 . 1 1 110 110 THR CA C 110 61.980 61.980 62.071 -0.091 17767 11007 1 16 . 1 1 110 110 THR CB C 110 69.520 69.520 70.935 -1.415 17767 11008 1 16 . 1 1 110 110 THR H H 110 8.876 8.876 8.018 0.858 17767 11009 1 16 . 1 1 111 111 ILE N N 111 131.030 131.030 126.660 4.370 17767 11010 1 16 . 1 1 111 111 ILE HA H 111 5.240 5.240 4.880 0.360 17767 11011 1 16 . 1 1 111 111 ILE C C 111 174.600 174.600 174.845 -0.245 17767 11012 1 16 . 1 1 111 111 ILE CA C 111 60.310 60.310 58.923 1.387 17767 11013 1 16 . 1 1 111 111 ILE CB C 111 41.220 41.220 41.023 0.197 17767 11014 1 16 . 1 1 111 111 ILE H H 111 9.490 9.490 8.938 0.552 17767 11015 1 16 . 1 1 112 112 THR N N 112 122.800 122.800 118.573 4.227 17767 11016 1 16 . 1 1 112 112 THR HA H 112 5.960 5.960 5.022 0.938 17767 11017 1 16 . 1 1 112 112 THR C C 112 174.370 174.370 173.271 1.099 17767 11018 1 16 . 1 1 112 112 THR CA C 112 61.180 61.180 61.855 -0.675 17767 11019 1 16 . 1 1 112 112 THR CB C 112 71.250 71.250 70.359 0.891 17767 11020 1 16 . 1 1 112 112 THR H H 112 9.490 9.490 8.093 1.397 17767 11021 1 16 . 1 1 113 113 PHE N N 113 124.980 124.980 124.791 0.189 17767 11022 1 16 . 1 1 113 113 PHE HA H 113 4.820 4.820 4.629 0.191 17767 11023 1 16 . 1 1 113 113 PHE C C 113 175.700 175.700 175.903 -0.203 17767 11024 1 16 . 1 1 113 113 PHE CA C 113 58.800 58.800 57.706 1.094 17767 11025 1 16 . 1 1 113 113 PHE CB C 113 43.480 43.480 42.754 0.726 17767 11026 1 16 . 1 1 113 113 PHE H H 113 9.000 9.000 8.208 0.792 17767 11027 1 16 . 1 1 114 114 GLY N N 114 116.550 116.550 111.303 5.247 17767 11028 1 16 . 1 1 114 114 GLY C C 114 175.300 175.300 174.730 0.570 17767 11029 1 16 . 1 1 114 114 GLY CA C 114 46.840 46.840 45.859 0.981 17767 11030 1 16 . 1 1 114 114 GLY H H 114 8.410 8.410 9.160 -0.750 17767 11031 1 16 . 1 1 115 115 GLY N N 115 105.640 105.640 106.961 -1.321 17767 11032 1 16 . 1 1 115 115 GLY C C 115 174.200 174.200 173.853 0.347 17767 11033 1 16 . 1 1 115 115 GLY CA C 115 44.890 44.890 45.032 -0.142 17767 11034 1 16 . 1 1 115 115 GLY H H 115 8.560 8.560 8.305 0.255 17767 11035 1 16 . 1 1 116 116 VAL N N 116 123.600 123.600 120.603 2.997 17767 11036 1 16 . 1 1 116 116 VAL HA H 116 4.310 4.310 4.332 -0.022 17767 11037 1 16 . 1 1 116 116 VAL C C 116 174.640 174.640 174.928 -0.288 17767 11038 1 16 . 1 1 116 116 VAL CA C 116 62.250 62.250 60.614 1.636 17767 11039 1 16 . 1 1 116 116 VAL CB C 116 34.170 34.170 33.693 0.477 17767 11040 1 16 . 1 1 116 116 VAL H H 116 8.164 8.164 7.727 0.437 17767 11041 1 16 . 1 1 117 117 THR N N 117 123.270 123.270 122.962 0.308 17767 11042 1 16 . 1 1 117 117 THR HA H 117 5.250 5.250 4.574 0.676 17767 11043 1 16 . 1 1 117 117 THR C C 117 173.800 173.800 173.848 -0.048 17767 11044 1 16 . 1 1 117 117 THR CA C 117 61.900 61.900 62.365 -0.465 17767 11045 1 16 . 1 1 117 117 THR CB C 117 70.450 70.450 68.811 1.639 17767 11046 1 16 . 1 1 117 117 THR H H 117 8.770 8.770 8.660 0.110 17767 11047 1 16 . 1 1 118 118 LEU N N 118 132.800 132.800 130.085 2.715 17767 11048 1 16 . 1 1 118 118 LEU HA H 118 4.880 4.880 4.544 0.336 17767 11049 1 16 . 1 1 118 118 LEU C C 118 175.200 175.200 174.733 0.467 17767 11050 1 16 . 1 1 118 118 LEU CA C 118 53.570 53.570 53.331 0.239 17767 11051 1 16 . 1 1 118 118 LEU CB C 118 44.730 44.730 42.550 2.180 17767 11052 1 16 . 1 1 118 118 LEU H H 118 9.700 9.700 8.547 1.153 17767 11053 1 16 . 1 1 119 119 ILE N N 119 124.980 124.980 129.720 -4.740 17767 11054 1 16 . 1 1 119 119 ILE HA H 119 5.240 5.240 4.266 0.974 17767 11055 1 16 . 1 1 119 119 ILE C C 119 175.900 175.900 174.716 1.184 17767 11056 1 16 . 1 1 119 119 ILE CA C 119 59.340 59.340 60.586 -1.246 17767 11057 1 16 . 1 1 119 119 ILE CB C 119 39.550 39.550 37.408 2.142 17767 11058 1 16 . 1 1 119 119 ILE H H 119 7.800 7.800 8.001 -0.201 17767 11059 1 16 . 1 1 120 120 ARG N N 120 126.110 126.110 127.516 -1.406 17767 11060 1 16 . 1 1 120 120 ARG HA H 120 5.040 5.040 4.990 0.050 17767 11061 1 16 . 1 1 120 120 ARG C C 120 175.300 175.300 175.631 -0.331 17767 11062 1 16 . 1 1 120 120 ARG CA C 120 54.990 54.990 54.285 0.705 17767 11063 1 16 . 1 1 120 120 ARG CB C 120 34.760 34.760 31.460 3.300 17767 11064 1 16 . 1 1 120 120 ARG H H 120 9.400 9.400 7.952 1.448 17767 11065 1 16 . 1 1 121 121 ARG N N 121 126.600 126.600 124.420 2.180 17767 11066 1 16 . 1 1 121 121 ARG HA H 121 5.350 5.350 4.544 0.806 17767 11067 1 16 . 1 1 121 121 ARG C C 121 175.020 175.020 174.965 0.055 17767 11068 1 16 . 1 1 121 121 ARG CA C 121 55.250 55.250 55.755 -0.505 17767 11069 1 16 . 1 1 121 121 ARG CB C 121 31.830 31.830 31.986 -0.157 17767 11070 1 16 . 1 1 121 121 ARG H H 121 9.110 9.110 8.820 0.290 17767 11071 1 16 . 1 1 122 122 SER N N 122 118.200 118.200 119.007 -0.807 17767 11072 1 16 . 1 1 122 122 SER HA H 122 5.730 5.730 5.601 0.129 17767 11073 1 16 . 1 1 122 122 SER C C 122 173.010 173.010 173.106 -0.096 17767 11074 1 16 . 1 1 122 122 SER CA C 122 58.100 58.100 56.474 1.626 17767 11075 1 16 . 1 1 122 122 SER CB C 122 66.850 66.850 65.634 1.216 17767 11076 1 16 . 1 1 122 122 SER H H 122 9.290 9.290 9.033 0.257 17767 11077 1 16 . 1 1 123 123 LYS N N 123 120.480 120.480 122.715 -2.235 17767 11078 1 16 . 1 1 123 123 LYS HA H 123 5.780 5.780 5.160 0.620 17767 11079 1 16 . 1 1 123 123 LYS C C 123 175.600 175.600 175.444 0.156 17767 11080 1 16 . 1 1 123 123 LYS CA C 123 54.130 54.130 54.643 -0.513 17767 11081 1 16 . 1 1 123 123 LYS CB C 123 36.330 36.330 35.861 0.469 17767 11082 1 16 . 1 1 123 123 LYS H H 123 8.650 8.650 8.849 -0.199 17767 11083 1 16 . 1 1 124 124 ARG N N 124 124.980 124.980 123.625 1.355 17767 11084 1 16 . 1 1 124 124 ARG HA H 124 3.940 3.940 4.702 -0.762 17767 11085 1 16 . 1 1 124 124 ARG C C 124 176.500 176.500 175.543 0.957 17767 11086 1 16 . 1 1 124 124 ARG CA C 124 56.900 56.900 56.843 0.057 17767 11087 1 16 . 1 1 124 124 ARG CB C 124 30.380 30.380 31.280 -0.900 17767 11088 1 16 . 1 1 124 124 ARG H H 124 8.200 8.200 8.862 -0.662 17767 11089 1 17 . 1 1 2 2 PHE HA H 2 4.460 4.460 4.620 -0.160 17767 11090 1 17 . 1 1 2 2 PHE C C 2 175.900 175.900 176.064 -0.164 17767 11091 1 17 . 1 1 2 2 PHE CA C 2 61.170 61.170 59.427 1.743 17767 11092 1 17 . 1 1 2 2 PHE CB C 2 40.690 40.690 39.792 0.898 17767 11093 1 17 . 1 1 3 3 SER N N 3 111.380 111.380 114.801 -3.421 17767 11094 1 17 . 1 1 3 3 SER HA H 3 4.420 4.420 4.396 0.024 17767 11095 1 17 . 1 1 3 3 SER C C 3 174.700 174.700 174.713 -0.013 17767 11096 1 17 . 1 1 3 3 SER CA C 3 60.000 60.000 59.202 0.798 17767 11097 1 17 . 1 1 3 3 SER CB C 3 64.140 64.140 62.349 1.790 17767 11098 1 17 . 1 1 3 3 SER H H 3 7.968 7.968 8.061 -0.093 17767 11099 1 17 . 1 1 4 4 GLY N N 4 111.480 111.480 113.136 -1.656 17767 11100 1 17 . 1 1 4 4 GLY C C 4 171.800 171.800 171.737 0.063 17767 11101 1 17 . 1 1 4 4 GLY CA C 4 44.150 44.150 45.423 -1.273 17767 11102 1 17 . 1 1 4 4 GLY H H 4 9.080 9.080 8.421 0.659 17767 11103 1 17 . 1 1 5 5 THR N N 5 117.770 117.770 112.637 5.133 17767 11104 1 17 . 1 1 5 5 THR HA H 5 4.980 4.980 5.036 -0.056 17767 11105 1 17 . 1 1 5 5 THR C C 5 173.190 173.190 173.240 -0.050 17767 11106 1 17 . 1 1 5 5 THR CA C 5 62.930 62.930 60.746 2.184 17767 11107 1 17 . 1 1 5 5 THR CB C 5 69.310 69.310 70.333 -1.023 17767 11108 1 17 . 1 1 5 5 THR H H 5 8.270 8.270 7.752 0.518 17767 11109 1 17 . 1 1 6 6 TRP N N 6 127.500 127.500 126.608 0.892 17767 11110 1 17 . 1 1 6 6 TRP HA H 6 5.130 5.130 5.395 -0.265 17767 11111 1 17 . 1 1 6 6 TRP CA C 6 55.300 55.300 55.623 -0.323 17767 11112 1 17 . 1 1 6 6 TRP CB C 6 32.290 32.290 31.575 0.715 17767 11113 1 17 . 1 1 6 6 TRP H H 6 9.560 9.560 8.725 0.835 17767 11114 1 17 . 1 1 7 7 GLN HA H 7 4.970 4.970 4.788 0.182 17767 11115 1 17 . 1 1 7 7 GLN C C 7 175.900 175.900 174.836 1.064 17767 11116 1 17 . 1 1 7 7 GLN CA C 7 54.720 54.720 54.652 0.068 17767 11117 1 17 . 1 1 7 7 GLN CB C 7 32.400 32.400 31.356 1.044 17767 11118 1 17 . 1 1 8 8 VAL N N 8 131.400 131.400 129.247 2.153 17767 11119 1 17 . 1 1 8 8 VAL HA H 8 4.450 4.450 4.703 -0.253 17767 11120 1 17 . 1 1 8 8 VAL CA C 8 63.500 63.500 62.610 0.890 17767 11121 1 17 . 1 1 8 8 VAL CB C 8 32.300 32.300 32.877 -0.577 17767 11122 1 17 . 1 1 8 8 VAL H H 8 8.270 8.270 8.797 -0.527 17767 11123 1 17 . 1 1 9 9 TYR N N 9 123.300 123.300 123.310 -0.010 17767 11124 1 17 . 1 1 9 9 TYR HA H 9 5.140 5.140 4.882 0.258 17767 11125 1 17 . 1 1 9 9 TYR C C 9 174.600 174.600 173.309 1.291 17767 11126 1 17 . 1 1 9 9 TYR CA C 9 56.600 56.600 56.100 0.500 17767 11127 1 17 . 1 1 9 9 TYR CB C 9 40.880 40.880 41.051 -0.171 17767 11128 1 17 . 1 1 9 9 TYR H H 9 9.570 9.570 9.041 0.529 17767 11129 1 17 . 1 1 10 10 ALA N N 10 125.800 125.800 126.806 -1.006 17767 11130 1 17 . 1 1 10 10 ALA HA H 10 4.680 4.680 4.530 0.150 17767 11131 1 17 . 1 1 10 10 ALA C C 10 175.200 175.200 176.050 -0.850 17767 11132 1 17 . 1 1 10 10 ALA CA C 10 51.780 51.780 52.192 -0.412 17767 11133 1 17 . 1 1 10 10 ALA CB C 10 22.070 22.070 20.587 1.483 17767 11134 1 17 . 1 1 10 10 ALA H H 10 7.330 7.330 8.211 -0.881 17767 11135 1 17 . 1 1 11 11 GLN N N 11 118.300 118.300 118.289 0.011 17767 11136 1 17 . 1 1 11 11 GLN HA H 11 5.370 5.370 4.622 0.748 17767 11137 1 17 . 1 1 11 11 GLN C C 11 174.700 174.700 175.616 -0.916 17767 11138 1 17 . 1 1 11 11 GLN CA C 11 54.460 54.460 55.290 -0.830 17767 11139 1 17 . 1 1 11 11 GLN CB C 11 32.870 32.870 28.921 3.949 17767 11140 1 17 . 1 1 11 11 GLN H H 11 8.700 8.700 8.517 0.183 17767 11141 1 17 . 1 1 12 12 GLU N N 12 123.800 123.800 120.695 3.105 17767 11142 1 17 . 1 1 12 12 GLU HA H 12 4.600 4.600 4.481 0.119 17767 11143 1 17 . 1 1 12 12 GLU C C 12 175.700 175.700 176.641 -0.941 17767 11144 1 17 . 1 1 12 12 GLU CA C 12 55.300 55.300 55.218 0.082 17767 11145 1 17 . 1 1 12 12 GLU CB C 12 31.760 31.760 30.642 1.118 17767 11146 1 17 . 1 1 12 12 GLU H H 12 9.130 9.130 8.369 0.761 17767 11147 1 17 . 1 1 13 13 ASN N N 13 117.550 117.550 120.507 -2.957 17767 11148 1 17 . 1 1 13 13 ASN HA H 13 4.790 4.790 4.716 0.074 17767 11149 1 17 . 1 1 13 13 ASN C C 13 175.600 175.600 174.937 0.663 17767 11150 1 17 . 1 1 13 13 ASN CA C 13 54.100 54.100 53.501 0.599 17767 11151 1 17 . 1 1 13 13 ASN CB C 13 37.100 37.100 37.028 0.072 17767 11152 1 17 . 1 1 13 13 ASN H H 13 9.130 9.130 8.906 0.224 17767 11153 1 17 . 1 1 14 14 TYR N N 14 118.280 118.280 124.070 -5.790 17767 11154 1 17 . 1 1 14 14 TYR HA H 14 4.360 4.360 4.301 0.059 17767 11155 1 17 . 1 1 14 14 TYR C C 14 176.500 176.500 176.450 0.050 17767 11156 1 17 . 1 1 14 14 TYR CA C 14 60.590 60.590 62.447 -1.857 17767 11157 1 17 . 1 1 14 14 TYR CB C 14 39.450 39.450 39.480 -0.030 17767 11158 1 17 . 1 1 14 14 TYR H H 14 7.900 7.900 8.542 -0.642 17767 11159 1 17 . 1 1 15 15 GLU N N 15 118.600 118.600 118.805 -0.205 17767 11160 1 17 . 1 1 15 15 GLU HA H 15 3.550 3.550 4.001 -0.451 17767 11161 1 17 . 1 1 15 15 GLU C C 15 178.500 178.500 178.512 -0.012 17767 11162 1 17 . 1 1 15 15 GLU CA C 15 61.170 61.170 59.814 1.356 17767 11163 1 17 . 1 1 15 15 GLU CB C 15 28.700 28.700 28.813 -0.113 17767 11164 1 17 . 1 1 15 15 GLU H H 15 8.960 8.960 9.149 -0.189 17767 11165 1 17 . 1 1 16 16 GLU N N 16 118.800 118.800 119.106 -0.306 17767 11166 1 17 . 1 1 16 16 GLU HA H 16 3.880 3.880 4.118 -0.238 17767 11167 1 17 . 1 1 16 16 GLU C C 16 178.600 178.600 178.252 0.348 17767 11168 1 17 . 1 1 16 16 GLU CA C 16 60.300 60.300 59.243 1.057 17767 11169 1 17 . 1 1 16 16 GLU CB C 16 28.600 28.600 29.285 -0.685 17767 11170 1 17 . 1 1 16 16 GLU H H 16 9.090 9.090 8.541 0.549 17767 11171 1 17 . 1 1 17 17 PHE N N 17 124.200 124.200 120.278 3.922 17767 11172 1 17 . 1 1 17 17 PHE HA H 17 3.960 3.960 4.263 -0.303 17767 11173 1 17 . 1 1 17 17 PHE C C 17 176.400 176.400 176.822 -0.422 17767 11174 1 17 . 1 1 17 17 PHE CA C 17 62.350 62.350 59.710 2.640 17767 11175 1 17 . 1 1 17 17 PHE CB C 17 40.380 40.380 38.910 1.470 17767 11176 1 17 . 1 1 17 17 PHE H H 17 8.410 8.410 7.414 0.996 17767 11177 1 17 . 1 1 18 18 LEU N N 18 116.400 116.400 118.653 -2.253 17767 11178 1 17 . 1 1 18 18 LEU HA H 18 3.780 3.780 3.461 0.319 17767 11179 1 17 . 1 1 18 18 LEU C C 18 178.800 178.800 178.658 0.142 17767 11180 1 17 . 1 1 18 18 LEU CA C 18 58.240 58.240 57.775 0.465 17767 11181 1 17 . 1 1 18 18 LEU CB C 18 41.220 41.220 41.144 0.076 17767 11182 1 17 . 1 1 18 18 LEU H H 18 8.200 8.200 7.600 0.600 17767 11183 1 17 . 1 1 19 19 LYS N N 19 116.590 116.590 117.640 -1.050 17767 11184 1 17 . 1 1 19 19 LYS HA H 19 4.040 4.040 4.097 -0.057 17767 11185 1 17 . 1 1 19 19 LYS C C 19 179.800 179.800 179.114 0.686 17767 11186 1 17 . 1 1 19 19 LYS CA C 19 58.820 58.820 58.950 -0.130 17767 11187 1 17 . 1 1 19 19 LYS CB C 19 32.150 32.150 32.072 0.078 17767 11188 1 17 . 1 1 19 19 LYS H H 19 7.790 7.790 7.607 0.183 17767 11189 1 17 . 1 1 20 20 ALA N N 20 126.110 126.110 120.537 5.573 17767 11190 1 17 . 1 1 20 20 ALA HA H 20 4.160 4.160 4.313 -0.153 17767 11191 1 17 . 1 1 20 20 ALA C C 20 178.600 178.600 177.583 1.017 17767 11192 1 17 . 1 1 20 20 ALA CA C 20 55.300 55.300 53.427 1.873 17767 11193 1 17 . 1 1 20 20 ALA CB C 20 17.700 17.700 18.746 -1.046 17767 11194 1 17 . 1 1 20 20 ALA H H 20 7.990 7.990 7.463 0.527 17767 11195 1 17 . 1 1 21 21 LEU N N 21 117.110 117.110 116.978 0.132 17767 11196 1 17 . 1 1 21 21 LEU HA H 21 3.688 3.688 4.298 -0.610 17767 11197 1 17 . 1 1 21 21 LEU C C 21 176.100 176.100 175.804 0.296 17767 11198 1 17 . 1 1 21 21 LEU CA C 21 55.400 55.400 53.483 1.917 17767 11199 1 17 . 1 1 21 21 LEU CB C 21 42.700 42.700 41.472 1.228 17767 11200 1 17 . 1 1 21 21 LEU H H 21 7.380 7.380 7.140 0.240 17767 11201 1 17 . 1 1 22 22 ALA N N 22 118.800 118.800 119.333 -0.533 17767 11202 1 17 . 1 1 22 22 ALA HA H 22 3.985 3.985 3.961 0.024 17767 11203 1 17 . 1 1 22 22 ALA C C 22 177.000 177.000 176.888 0.112 17767 11204 1 17 . 1 1 22 22 ALA CA C 22 52.370 52.370 52.816 -0.446 17767 11205 1 17 . 1 1 22 22 ALA CB C 22 15.960 15.960 16.723 -0.763 17767 11206 1 17 . 1 1 22 22 ALA H H 22 7.920 7.920 7.362 0.558 17767 11207 1 17 . 1 1 23 23 LEU N N 23 118.470 118.470 118.915 -0.445 17767 11208 1 17 . 1 1 23 23 LEU HA H 23 4.425 4.425 4.481 -0.056 17767 11209 1 17 . 1 1 23 23 LEU C C 23 174.500 174.500 174.973 -0.473 17767 11210 1 17 . 1 1 23 23 LEU CA C 23 54.130 54.130 52.029 2.101 17767 11211 1 17 . 1 1 23 23 LEU CB C 23 41.220 41.220 42.495 -1.275 17767 11212 1 17 . 1 1 23 23 LEU H H 23 6.950 6.950 7.442 -0.492 17767 11213 1 17 . 1 1 24 24 PRO HA H 24 4.475 4.475 4.536 -0.061 17767 11214 1 17 . 1 1 24 24 PRO C C 24 177.500 177.500 177.515 -0.015 17767 11215 1 17 . 1 1 24 24 PRO CA C 24 62.940 62.940 62.447 0.493 17767 11216 1 17 . 1 1 24 24 PRO CB C 24 32.600 32.600 32.220 0.380 17767 11217 1 17 . 1 1 25 25 GLU N N 25 122.500 122.500 124.289 -1.789 17767 11218 1 17 . 1 1 25 25 GLU HA H 25 3.860 3.860 3.830 0.030 17767 11219 1 17 . 1 1 25 25 GLU C C 25 177.900 177.900 178.585 -0.685 17767 11220 1 17 . 1 1 25 25 GLU CA C 25 60.100 60.100 60.381 -0.281 17767 11221 1 17 . 1 1 25 25 GLU CB C 25 29.690 29.690 29.393 0.297 17767 11222 1 17 . 1 1 25 25 GLU H H 25 8.840 8.840 8.896 -0.056 17767 11223 1 17 . 1 1 26 26 ASP N N 26 117.110 117.110 118.547 -1.437 17767 11224 1 17 . 1 1 26 26 ASP HA H 26 4.360 4.360 4.446 -0.086 17767 11225 1 17 . 1 1 26 26 ASP C C 26 177.900 177.900 178.187 -0.287 17767 11226 1 17 . 1 1 26 26 ASP CA C 26 57.080 57.080 56.834 0.246 17767 11227 1 17 . 1 1 26 26 ASP CB C 26 40.040 40.040 40.578 -0.538 17767 11228 1 17 . 1 1 26 26 ASP H H 26 8.920 8.920 8.454 0.466 17767 11229 1 17 . 1 1 27 27 LEU N N 27 121.990 121.990 120.288 1.702 17767 11230 1 17 . 1 1 27 27 LEU HA H 27 4.270 4.270 4.169 0.101 17767 11231 1 17 . 1 1 27 27 LEU C C 27 178.070 178.070 178.106 -0.036 17767 11232 1 17 . 1 1 27 27 LEU CA C 27 57.650 57.650 57.439 0.211 17767 11233 1 17 . 1 1 27 27 LEU CB C 27 42.230 42.230 42.278 -0.048 17767 11234 1 17 . 1 1 27 27 LEU H H 27 7.220 7.220 7.407 -0.187 17767 11235 1 17 . 1 1 28 28 ILE N N 28 120.350 120.350 119.856 0.494 17767 11236 1 17 . 1 1 28 28 ILE HA H 28 3.317 3.317 3.506 -0.189 17767 11237 1 17 . 1 1 28 28 ILE C C 28 177.400 177.400 178.112 -0.712 17767 11238 1 17 . 1 1 28 28 ILE CA C 28 67.040 67.040 65.583 1.457 17767 11239 1 17 . 1 1 28 28 ILE CB C 28 37.110 37.110 37.537 -0.427 17767 11240 1 17 . 1 1 28 28 ILE H H 28 7.900 7.900 8.189 -0.289 17767 11241 1 17 . 1 1 29 29 LYS N N 29 117.110 117.110 117.829 -0.719 17767 11242 1 17 . 1 1 29 29 LYS HA H 29 3.947 3.947 4.098 -0.151 17767 11243 1 17 . 1 1 29 29 LYS C C 29 178.900 178.900 178.866 0.034 17767 11244 1 17 . 1 1 29 29 LYS CA C 29 60.000 60.000 59.036 0.964 17767 11245 1 17 . 1 1 29 29 LYS CB C 29 32.390 32.390 32.234 0.156 17767 11246 1 17 . 1 1 29 29 LYS H H 29 7.850 7.850 7.672 0.178 17767 11247 1 17 . 1 1 30 30 MET N N 30 117.110 117.110 118.483 -1.373 17767 11248 1 17 . 1 1 30 30 MET HA H 30 4.320 4.320 4.389 -0.069 17767 11249 1 17 . 1 1 30 30 MET C C 30 177.500 177.500 178.325 -0.825 17767 11250 1 17 . 1 1 30 30 MET CA C 30 57.650 57.650 58.059 -0.409 17767 11251 1 17 . 1 1 30 30 MET CB C 30 32.970 32.970 33.312 -0.342 17767 11252 1 17 . 1 1 30 30 MET H H 30 7.450 7.450 7.674 -0.224 17767 11253 1 17 . 1 1 31 31 ALA N N 31 120.480 120.480 122.239 -1.759 17767 11254 1 17 . 1 1 31 31 ALA HA H 31 4.270 4.270 4.152 0.118 17767 11255 1 17 . 1 1 31 31 ALA CA C 31 53.545 53.545 54.339 -0.794 17767 11256 1 17 . 1 1 31 31 ALA CB C 31 19.290 19.290 18.410 0.880 17767 11257 1 17 . 1 1 31 31 ALA H H 31 8.420 8.420 8.459 -0.039 17767 11258 1 17 . 1 1 32 32 ARG N N 32 122.170 122.170 115.909 6.261 17767 11259 1 17 . 1 1 32 32 ARG HA H 32 4.109 4.109 4.010 0.099 17767 11260 1 17 . 1 1 32 32 ARG C C 32 176.500 176.500 176.818 -0.318 17767 11261 1 17 . 1 1 32 32 ARG CA C 32 61.170 61.170 58.762 2.408 17767 11262 1 17 . 1 1 32 32 ARG CB C 32 30.600 30.600 30.208 0.392 17767 11263 1 17 . 1 1 32 32 ARG H H 32 7.770 7.770 7.621 0.149 17767 11264 1 17 . 1 1 33 33 ASP N N 33 116.550 116.550 115.309 1.241 17767 11265 1 17 . 1 1 33 33 ASP HA H 33 4.920 4.920 4.630 0.290 17767 11266 1 17 . 1 1 33 33 ASP C C 33 175.900 175.900 176.101 -0.201 17767 11267 1 17 . 1 1 33 33 ASP CA C 33 54.130 54.130 54.243 -0.113 17767 11268 1 17 . 1 1 33 33 ASP CB C 33 41.760 41.760 42.623 -0.863 17767 11269 1 17 . 1 1 33 33 ASP H H 33 8.330 8.330 7.621 0.709 17767 11270 1 17 . 1 1 34 34 ILE N N 34 120.060 120.060 122.451 -2.391 17767 11271 1 17 . 1 1 34 34 ILE HA H 34 4.120 4.120 4.043 0.077 17767 11272 1 17 . 1 1 34 34 ILE C C 34 176.100 176.100 175.020 1.080 17767 11273 1 17 . 1 1 34 34 ILE CA C 34 61.170 61.170 61.827 -0.657 17767 11274 1 17 . 1 1 34 34 ILE CB C 34 37.860 37.860 37.785 0.075 17767 11275 1 17 . 1 1 34 34 ILE H H 34 7.240 7.240 7.247 -0.007 17767 11276 1 17 . 1 1 35 35 LYS N N 35 131.170 131.170 128.312 2.858 17767 11277 1 17 . 1 1 35 35 LYS HA H 35 4.700 4.700 4.792 -0.092 17767 11278 1 17 . 1 1 35 35 LYS C C 35 173.700 173.700 174.350 -0.650 17767 11279 1 17 . 1 1 35 35 LYS CA C 35 52.970 52.970 53.937 -0.967 17767 11280 1 17 . 1 1 35 35 LYS CB C 35 32.750 32.750 32.913 -0.163 17767 11281 1 17 . 1 1 35 35 LYS H H 35 8.980 8.980 8.633 0.347 17767 11282 1 17 . 1 1 36 36 PRO HA H 36 4.510 4.510 4.507 0.003 17767 11283 1 17 . 1 1 36 36 PRO CA C 36 63.523 63.523 62.555 0.968 17767 11284 1 17 . 1 1 36 36 PRO CB C 36 32.840 32.840 32.529 0.311 17767 11285 1 17 . 1 1 37 37 ILE HA H 37 4.920 4.920 4.184 0.736 17767 11286 1 17 . 1 1 37 37 ILE C C 37 175.500 175.500 175.569 -0.069 17767 11287 1 17 . 1 1 37 37 ILE CA C 37 60.588 60.588 60.134 0.454 17767 11288 1 17 . 1 1 37 37 ILE CB C 37 40.630 40.630 39.794 0.836 17767 11289 1 17 . 1 1 38 38 VAL N N 38 129.000 129.000 129.809 -0.809 17767 11290 1 17 . 1 1 38 38 VAL HA H 38 5.120 5.120 4.203 0.917 17767 11291 1 17 . 1 1 38 38 VAL C C 38 175.100 175.100 174.920 0.180 17767 11292 1 17 . 1 1 38 38 VAL CA C 38 61.176 61.176 62.026 -0.850 17767 11293 1 17 . 1 1 38 38 VAL CB C 38 34.850 34.850 32.181 2.669 17767 11294 1 17 . 1 1 38 38 VAL H H 38 9.540 9.540 8.809 0.731 17767 11295 1 17 . 1 1 39 39 GLU N N 39 128.350 128.350 129.221 -0.871 17767 11296 1 17 . 1 1 39 39 GLU HA H 39 5.440 5.440 4.560 0.880 17767 11297 1 17 . 1 1 39 39 GLU C C 39 176.000 176.000 174.719 1.281 17767 11298 1 17 . 1 1 39 39 GLU CA C 39 54.720 54.720 56.672 -1.952 17767 11299 1 17 . 1 1 39 39 GLU CB C 39 32.410 32.410 31.106 1.304 17767 11300 1 17 . 1 1 39 39 GLU H H 39 9.590 9.590 8.266 1.324 17767 11301 1 17 . 1 1 40 40 ILE N N 40 126.110 126.110 126.345 -0.235 17767 11302 1 17 . 1 1 40 40 ILE HA H 40 5.050 5.050 5.095 -0.045 17767 11303 1 17 . 1 1 40 40 ILE C C 40 175.800 175.800 173.312 2.488 17767 11304 1 17 . 1 1 40 40 ILE CA C 40 61.330 61.330 58.644 2.686 17767 11305 1 17 . 1 1 40 40 ILE CB C 40 40.160 40.160 42.168 -2.008 17767 11306 1 17 . 1 1 40 40 ILE H H 40 9.630 9.630 8.647 0.983 17767 11307 1 17 . 1 1 41 41 GLN N N 41 128.360 128.360 126.607 1.753 17767 11308 1 17 . 1 1 41 41 GLN HA H 41 4.720 4.720 4.841 -0.121 17767 11309 1 17 . 1 1 41 41 GLN C C 41 173.900 173.900 173.328 0.572 17767 11310 1 17 . 1 1 41 41 GLN CA C 41 54.940 54.940 53.851 1.089 17767 11311 1 17 . 1 1 41 41 GLN CB C 41 31.820 31.820 31.790 0.030 17767 11312 1 17 . 1 1 41 41 GLN H H 41 9.270 9.270 8.879 0.391 17767 11313 1 17 . 1 1 42 42 GLN N N 42 126.110 126.110 120.822 5.288 17767 11314 1 17 . 1 1 42 42 GLN HA H 42 4.380 4.380 4.744 -0.364 17767 11315 1 17 . 1 1 42 42 GLN C C 42 174.700 174.700 174.957 -0.257 17767 11316 1 17 . 1 1 42 42 GLN CA C 42 54.150 54.150 53.973 0.177 17767 11317 1 17 . 1 1 42 42 GLN CB C 42 30.000 30.000 30.899 -0.899 17767 11318 1 17 . 1 1 42 42 GLN H H 42 8.250 8.250 8.358 -0.108 17767 11319 1 17 . 1 1 43 43 LYS N N 43 130.610 130.610 120.379 10.231 17767 11320 1 17 . 1 1 43 43 LYS HA H 43 4.460 4.460 4.414 0.046 17767 11321 1 17 . 1 1 43 43 LYS C C 43 176.030 176.030 176.467 -0.437 17767 11322 1 17 . 1 1 43 43 LYS CA C 43 55.306 55.306 56.299 -0.993 17767 11323 1 17 . 1 1 43 43 LYS CB C 43 33.270 33.270 33.131 0.139 17767 11324 1 17 . 1 1 43 43 LYS H H 43 8.820 8.820 8.364 0.456 17767 11325 1 17 . 1 1 44 44 GLY N N 44 117.110 117.110 115.467 1.643 17767 11326 1 17 . 1 1 44 44 GLY C C 44 174.300 174.300 174.289 0.011 17767 11327 1 17 . 1 1 44 44 GLY CA C 44 47.480 47.480 46.727 0.752 17767 11328 1 17 . 1 1 44 44 GLY H H 44 8.940 8.940 8.421 0.519 17767 11329 1 17 . 1 1 45 45 ASP N N 45 127.799 127.799 121.967 5.832 17767 11330 1 17 . 1 1 45 45 ASP HA H 45 4.870 4.870 4.854 0.016 17767 11331 1 17 . 1 1 45 45 ASP C C 45 174.700 174.700 175.292 -0.592 17767 11332 1 17 . 1 1 45 45 ASP CA C 45 54.719 54.719 53.964 0.755 17767 11333 1 17 . 1 1 45 45 ASP CB C 45 41.270 41.270 42.735 -1.465 17767 11334 1 17 . 1 1 45 45 ASP H H 45 8.870 8.870 8.203 0.667 17767 11335 1 17 . 1 1 46 46 ASP N N 46 120.480 120.480 121.669 -1.189 17767 11336 1 17 . 1 1 46 46 ASP HA H 46 5.230 5.230 5.475 -0.245 17767 11337 1 17 . 1 1 46 46 ASP C C 46 175.070 175.070 174.807 0.263 17767 11338 1 17 . 1 1 46 46 ASP CA C 46 54.132 54.132 55.368 -1.236 17767 11339 1 17 . 1 1 46 46 ASP CB C 46 41.570 41.570 42.381 -0.811 17767 11340 1 17 . 1 1 46 46 ASP H H 46 8.060 8.060 7.595 0.465 17767 11341 1 17 . 1 1 47 47 PHE N N 47 122.730 122.730 122.233 0.497 17767 11342 1 17 . 1 1 47 47 PHE HA H 47 5.090 5.090 4.892 0.198 17767 11343 1 17 . 1 1 47 47 PHE C C 47 176.400 176.400 174.579 1.821 17767 11344 1 17 . 1 1 47 47 PHE CA C 47 56.420 56.420 55.629 0.791 17767 11345 1 17 . 1 1 47 47 PHE CB C 47 44.150 44.150 42.524 1.626 17767 11346 1 17 . 1 1 47 47 PHE H H 47 9.296 9.296 9.018 0.278 17767 11347 1 17 . 1 1 48 48 VAL N N 48 121.690 121.690 121.756 -0.066 17767 11348 1 17 . 1 1 48 48 VAL HA H 48 4.500 4.500 4.649 -0.149 17767 11349 1 17 . 1 1 48 48 VAL C C 48 175.700 175.700 174.754 0.946 17767 11350 1 17 . 1 1 48 48 VAL CA C 48 62.930 62.930 61.502 1.428 17767 11351 1 17 . 1 1 48 48 VAL CB C 48 34.670 34.670 33.865 0.805 17767 11352 1 17 . 1 1 48 48 VAL H H 48 8.520 8.520 9.215 -0.695 17767 11353 1 17 . 1 1 49 49 VAL N N 49 127.200 127.200 129.398 -2.198 17767 11354 1 17 . 1 1 49 49 VAL HA H 49 5.250 5.250 4.603 0.647 17767 11355 1 17 . 1 1 49 49 VAL C C 49 175.700 175.700 175.186 0.514 17767 11356 1 17 . 1 1 49 49 VAL CA C 49 61.180 61.180 61.265 -0.085 17767 11357 1 17 . 1 1 49 49 VAL CB C 49 34.660 34.660 32.856 1.804 17767 11358 1 17 . 1 1 49 49 VAL H H 49 9.330 9.330 9.347 -0.017 17767 11359 1 17 . 1 1 50 50 THR N N 50 128.500 128.500 125.533 2.967 17767 11360 1 17 . 1 1 50 50 THR HA H 50 5.430 5.430 4.898 0.532 17767 11361 1 17 . 1 1 50 50 THR C C 50 173.810 173.810 173.698 0.112 17767 11362 1 17 . 1 1 50 50 THR CA C 50 61.530 61.530 62.075 -0.545 17767 11363 1 17 . 1 1 50 50 THR CB C 50 70.760 70.760 69.254 1.506 17767 11364 1 17 . 1 1 50 50 THR H H 50 9.730 9.730 9.431 0.299 17767 11365 1 17 . 1 1 51 51 SER N N 51 122.730 122.730 123.785 -1.055 17767 11366 1 17 . 1 1 51 51 SER HA H 51 5.430 5.430 4.795 0.635 17767 11367 1 17 . 1 1 51 51 SER C C 51 173.800 173.800 173.619 0.181 17767 11368 1 17 . 1 1 51 51 SER CA C 51 57.060 57.060 56.997 0.063 17767 11369 1 17 . 1 1 51 51 SER CB C 51 64.550 64.550 62.743 1.807 17767 11370 1 17 . 1 1 51 51 SER H H 51 9.190 9.190 8.526 0.664 17767 11371 1 17 . 1 1 52 52 LYS N N 52 125.550 125.550 128.050 -2.500 17767 11372 1 17 . 1 1 52 52 LYS HA H 52 5.310 5.310 4.461 0.849 17767 11373 1 17 . 1 1 52 52 LYS C C 52 175.900 175.900 176.348 -0.448 17767 11374 1 17 . 1 1 52 52 LYS CA C 52 56.120 56.120 56.208 -0.088 17767 11375 1 17 . 1 1 52 52 LYS CB C 52 36.130 36.130 33.240 2.890 17767 11376 1 17 . 1 1 52 52 LYS H H 52 9.490 9.490 8.434 1.056 17767 11377 1 17 . 1 1 53 53 THR N N 53 115.980 115.980 115.783 0.197 17767 11378 1 17 . 1 1 53 53 THR HA H 53 5.024 5.024 4.871 0.153 17767 11379 1 17 . 1 1 53 53 THR C C 53 173.400 173.400 172.945 0.455 17767 11380 1 17 . 1 1 53 53 THR CA C 53 59.140 59.140 57.915 1.225 17767 11381 1 17 . 1 1 53 53 THR CB C 53 69.300 69.300 70.403 -1.103 17767 11382 1 17 . 1 1 53 53 THR H H 53 8.760 8.760 7.932 0.828 17767 11383 1 17 . 1 1 54 54 PRO HA H 54 4.350 4.350 4.515 -0.165 17767 11384 1 17 . 1 1 54 54 PRO C C 54 177.200 177.200 176.720 0.480 17767 11385 1 17 . 1 1 54 54 PRO CA C 54 66.458 66.458 63.857 2.601 17767 11386 1 17 . 1 1 54 54 PRO CB C 54 32.400 32.400 31.899 0.501 17767 11387 1 17 . 1 1 55 55 ARG N N 55 111.480 111.480 117.820 -6.340 17767 11388 1 17 . 1 1 55 55 ARG HA H 55 4.510 4.510 4.610 -0.100 17767 11389 1 17 . 1 1 55 55 ARG C C 55 175.800 175.800 176.036 -0.236 17767 11390 1 17 . 1 1 55 55 ARG CA C 55 55.893 55.893 56.355 -0.462 17767 11391 1 17 . 1 1 55 55 ARG CB C 55 32.520 32.520 32.201 0.319 17767 11392 1 17 . 1 1 55 55 ARG H H 55 8.010 8.010 7.720 0.290 17767 11393 1 17 . 1 1 56 56 GLN N N 56 118.230 118.230 118.554 -0.324 17767 11394 1 17 . 1 1 56 56 GLN HA H 56 4.830 4.830 4.589 0.241 17767 11395 1 17 . 1 1 56 56 GLN C C 56 174.200 174.200 173.916 0.284 17767 11396 1 17 . 1 1 56 56 GLN CA C 56 55.610 55.610 55.434 0.176 17767 11397 1 17 . 1 1 56 56 GLN CB C 56 32.880 32.880 31.996 0.884 17767 11398 1 17 . 1 1 56 56 GLN H H 56 7.530 7.530 8.596 -1.066 17767 11399 1 17 . 1 1 57 57 THR N N 57 120.480 120.480 122.723 -2.243 17767 11400 1 17 . 1 1 57 57 THR HA H 57 5.330 5.330 5.269 0.061 17767 11401 1 17 . 1 1 57 57 THR C C 57 174.000 174.000 174.584 -0.584 17767 11402 1 17 . 1 1 57 57 THR CA C 57 61.760 61.760 62.192 -0.432 17767 11403 1 17 . 1 1 57 57 THR CB C 57 71.500 71.500 69.024 2.476 17767 11404 1 17 . 1 1 57 57 THR H H 57 8.610 8.610 8.469 0.141 17767 11405 1 17 . 1 1 58 58 VAL N N 58 125.200 125.200 123.842 1.358 17767 11406 1 17 . 1 1 58 58 VAL HA H 58 4.540 4.540 4.533 0.007 17767 11407 1 17 . 1 1 58 58 VAL C C 58 174.400 174.400 174.844 -0.444 17767 11408 1 17 . 1 1 58 58 VAL CA C 58 61.170 61.170 59.480 1.690 17767 11409 1 17 . 1 1 58 58 VAL CB C 58 35.560 35.560 34.024 1.536 17767 11410 1 17 . 1 1 58 58 VAL H H 58 8.830 8.830 8.181 0.649 17767 11411 1 17 . 1 1 59 59 THR N N 59 125.500 125.500 117.892 7.608 17767 11412 1 17 . 1 1 59 59 THR HA H 59 5.260 5.260 4.752 0.508 17767 11413 1 17 . 1 1 59 59 THR C C 59 173.400 173.400 173.658 -0.258 17767 11414 1 17 . 1 1 59 59 THR CA C 59 61.980 61.980 61.678 0.302 17767 11415 1 17 . 1 1 59 59 THR CB C 59 71.150 71.150 69.357 1.793 17767 11416 1 17 . 1 1 59 59 THR H H 59 8.870 8.870 8.175 0.695 17767 11417 1 17 . 1 1 60 60 ASN N N 60 124.700 124.700 125.220 -0.520 17767 11418 1 17 . 1 1 60 60 ASN HA H 60 5.270 5.270 4.923 0.347 17767 11419 1 17 . 1 1 60 60 ASN C C 60 173.300 173.300 173.834 -0.534 17767 11420 1 17 . 1 1 60 60 ASN CA C 60 53.000 53.000 52.916 0.084 17767 11421 1 17 . 1 1 60 60 ASN CB C 60 44.700 44.700 40.428 4.272 17767 11422 1 17 . 1 1 60 60 ASN H H 60 9.180 9.180 9.194 -0.014 17767 11423 1 17 . 1 1 61 61 SER N N 61 115.980 115.980 119.270 -3.290 17767 11424 1 17 . 1 1 61 61 SER HA H 61 5.430 5.430 5.601 -0.171 17767 11425 1 17 . 1 1 61 61 SER C C 61 173.300 173.300 173.238 0.062 17767 11426 1 17 . 1 1 61 61 SER CA C 61 57.060 57.060 56.853 0.207 17767 11427 1 17 . 1 1 61 61 SER CB C 61 65.590 65.590 66.688 -1.098 17767 11428 1 17 . 1 1 61 61 SER H H 61 8.840 8.840 8.511 0.329 17767 11429 1 17 . 1 1 62 62 PHE N N 62 117.670 117.670 117.089 0.581 17767 11430 1 17 . 1 1 62 62 PHE HA H 62 5.020 5.020 4.886 0.134 17767 11431 1 17 . 1 1 62 62 PHE C C 62 173.100 173.100 173.224 -0.124 17767 11432 1 17 . 1 1 62 62 PHE CA C 62 56.590 56.590 57.094 -0.504 17767 11433 1 17 . 1 1 62 62 PHE CB C 62 40.030 40.030 40.138 -0.108 17767 11434 1 17 . 1 1 62 62 PHE H H 62 8.235 8.235 8.768 -0.533 17767 11435 1 17 . 1 1 63 63 THR N N 63 119.920 119.920 116.135 3.785 17767 11436 1 17 . 1 1 63 63 THR HA H 63 5.500 5.500 5.161 0.339 17767 11437 1 17 . 1 1 63 63 THR C C 63 175.600 175.600 174.491 1.109 17767 11438 1 17 . 1 1 63 63 THR CA C 63 61.170 61.170 61.556 -0.386 17767 11439 1 17 . 1 1 63 63 THR CB C 63 72.320 72.320 71.009 1.311 17767 11440 1 17 . 1 1 63 63 THR H H 63 9.650 9.650 8.557 1.093 17767 11441 1 17 . 1 1 64 64 LEU N N 64 126.300 126.300 127.376 -1.076 17767 11442 1 17 . 1 1 64 64 LEU HA H 64 4.430 4.430 3.901 0.529 17767 11443 1 17 . 1 1 64 64 LEU C C 64 178.000 178.000 178.422 -0.422 17767 11444 1 17 . 1 1 64 64 LEU CA C 64 56.100 56.100 56.394 -0.294 17767 11445 1 17 . 1 1 64 64 LEU CB C 64 41.330 41.330 40.534 0.796 17767 11446 1 17 . 1 1 64 64 LEU H H 64 9.280 9.280 9.013 0.267 17767 11447 1 17 . 1 1 65 65 GLY N N 65 107.520 107.520 112.179 -4.659 17767 11448 1 17 . 1 1 65 65 GLY C C 65 173.800 173.800 173.974 -0.174 17767 11449 1 17 . 1 1 65 65 GLY CA C 65 45.780 45.780 44.885 0.895 17767 11450 1 17 . 1 1 65 65 GLY H H 65 9.110 9.110 8.909 0.201 17767 11451 1 17 . 1 1 66 66 LYS N N 66 121.600 121.600 119.413 2.187 17767 11452 1 17 . 1 1 66 66 LYS HA H 66 4.780 4.780 4.646 0.134 17767 11453 1 17 . 1 1 66 66 LYS C C 66 175.600 175.600 174.593 1.007 17767 11454 1 17 . 1 1 66 66 LYS CA C 66 54.100 54.100 54.046 0.054 17767 11455 1 17 . 1 1 66 66 LYS CB C 66 34.620 34.620 35.977 -1.357 17767 11456 1 17 . 1 1 66 66 LYS H H 66 7.910 7.910 8.132 -0.222 17767 11457 1 17 . 1 1 67 67 GLU N N 67 129.400 129.400 120.674 8.726 17767 11458 1 17 . 1 1 67 67 GLU HA H 67 4.070 4.070 4.580 -0.510 17767 11459 1 17 . 1 1 67 67 GLU C C 67 175.030 175.030 175.352 -0.322 17767 11460 1 17 . 1 1 67 67 GLU CA C 67 59.220 59.220 55.271 3.949 17767 11461 1 17 . 1 1 67 67 GLU CB C 67 30.400 30.400 30.937 -0.537 17767 11462 1 17 . 1 1 67 67 GLU H H 67 8.940 8.940 8.601 0.339 17767 11463 1 17 . 1 1 68 68 ALA N N 68 130.940 130.940 129.568 1.372 17767 11464 1 17 . 1 1 68 68 ALA HA H 68 4.900 4.900 4.730 0.170 17767 11465 1 17 . 1 1 68 68 ALA C C 68 176.000 176.000 175.534 0.466 17767 11466 1 17 . 1 1 68 68 ALA CA C 68 51.000 51.000 50.626 0.374 17767 11467 1 17 . 1 1 68 68 ALA CB C 68 22.440 22.440 22.389 0.051 17767 11468 1 17 . 1 1 68 68 ALA H H 68 8.660 8.660 8.450 0.210 17767 11469 1 17 . 1 1 69 69 ASP N N 69 120.500 120.500 122.409 -1.909 17767 11470 1 17 . 1 1 69 69 ASP HA H 69 5.000 5.000 4.801 0.199 17767 11471 1 17 . 1 1 69 69 ASP C C 69 174.400 174.400 176.145 -1.745 17767 11472 1 17 . 1 1 69 69 ASP CA C 69 54.670 54.670 54.330 0.340 17767 11473 1 17 . 1 1 69 69 ASP CB C 69 41.930 41.930 41.335 0.595 17767 11474 1 17 . 1 1 69 69 ASP H H 69 8.330 8.330 8.632 -0.302 17767 11475 1 17 . 1 1 70 70 ILE N N 70 125.540 125.540 120.728 4.812 17767 11476 1 17 . 1 1 70 70 ILE HA H 70 4.510 4.510 4.692 -0.182 17767 11477 1 17 . 1 1 70 70 ILE C C 70 175.300 175.300 173.884 1.416 17767 11478 1 17 . 1 1 70 70 ILE CA C 70 57.690 57.690 59.591 -1.901 17767 11479 1 17 . 1 1 70 70 ILE CB C 70 40.040 40.040 41.550 -1.510 17767 11480 1 17 . 1 1 70 70 ILE H H 70 8.850 8.850 8.184 0.666 17767 11481 1 17 . 1 1 71 71 THR N N 71 123.860 123.860 116.795 7.065 17767 11482 1 17 . 1 1 71 71 THR HA H 71 5.240 5.240 4.894 0.346 17767 11483 1 17 . 1 1 71 71 THR C C 71 174.600 174.600 174.161 0.439 17767 11484 1 17 . 1 1 71 71 THR CA C 71 61.610 61.610 61.486 0.124 17767 11485 1 17 . 1 1 71 71 THR CB C 71 70.370 70.370 70.726 -0.356 17767 11486 1 17 . 1 1 71 71 THR H H 71 9.460 9.460 8.320 1.140 17767 11487 1 17 . 1 1 72 72 THR N N 72 115.980 115.980 119.425 -3.445 17767 11488 1 17 . 1 1 72 72 THR HA H 72 4.550 4.550 4.638 -0.088 17767 11489 1 17 . 1 1 72 72 THR C C 72 177.300 177.300 176.078 1.222 17767 11490 1 17 . 1 1 72 72 THR CA C 72 60.550 60.550 60.041 0.509 17767 11491 1 17 . 1 1 72 72 THR CB C 72 70.710 70.710 69.894 0.816 17767 11492 1 17 . 1 1 72 72 THR H H 72 8.700 8.700 8.350 0.350 17767 11493 1 17 . 1 1 73 73 MET N N 73 119.830 119.830 125.357 -5.527 17767 11494 1 17 . 1 1 73 73 MET HA H 73 4.110 4.110 4.298 -0.188 17767 11495 1 17 . 1 1 73 73 MET C C 73 176.200 176.200 176.459 -0.259 17767 11496 1 17 . 1 1 73 73 MET CA C 73 58.900 58.900 57.816 1.085 17767 11497 1 17 . 1 1 73 73 MET CB C 73 34.760 34.760 32.558 2.202 17767 11498 1 17 . 1 1 73 73 MET H H 73 10.360 10.360 8.617 1.743 17767 11499 1 17 . 1 1 74 74 ASP N N 74 112.220 112.220 118.241 -6.021 17767 11500 1 17 . 1 1 74 74 ASP HA H 74 4.800 4.800 4.514 0.286 17767 11501 1 17 . 1 1 74 74 ASP C C 74 175.600 175.600 177.029 -1.429 17767 11502 1 17 . 1 1 74 74 ASP CA C 74 52.630 52.630 54.055 -1.425 17767 11503 1 17 . 1 1 74 74 ASP CB C 74 38.870 38.870 41.234 -2.364 17767 11504 1 17 . 1 1 74 74 ASP H H 74 8.680 8.680 7.688 0.992 17767 11505 1 17 . 1 1 75 75 GLY N N 75 108.040 108.040 107.652 0.388 17767 11506 1 17 . 1 1 75 75 GLY C C 75 175.000 175.000 173.884 1.116 17767 11507 1 17 . 1 1 75 75 GLY CA C 75 46.400 46.400 45.125 1.275 17767 11508 1 17 . 1 1 75 75 GLY H H 75 7.600 7.600 7.666 -0.066 17767 11509 1 17 . 1 1 76 76 LYS N N 76 120.500 120.500 120.204 0.296 17767 11510 1 17 . 1 1 76 76 LYS HA H 76 4.440 4.440 4.511 -0.071 17767 11511 1 17 . 1 1 76 76 LYS C C 76 175.400 175.400 175.307 0.093 17767 11512 1 17 . 1 1 76 76 LYS CA C 76 55.240 55.240 55.142 0.098 17767 11513 1 17 . 1 1 76 76 LYS CB C 76 33.500 33.500 35.096 -1.596 17767 11514 1 17 . 1 1 76 76 LYS H H 76 8.260 8.260 7.734 0.526 17767 11515 1 17 . 1 1 77 77 LYS N N 77 119.300 119.300 125.354 -6.054 17767 11516 1 17 . 1 1 77 77 LYS HA H 77 5.370 5.370 4.398 0.972 17767 11517 1 17 . 1 1 77 77 LYS C C 77 176.100 176.100 175.678 0.422 17767 11518 1 17 . 1 1 77 77 LYS CA C 77 54.360 54.360 56.723 -2.363 17767 11519 1 17 . 1 1 77 77 LYS CB C 77 32.840 32.840 32.042 0.798 17767 11520 1 17 . 1 1 77 77 LYS H H 77 8.130 8.130 8.517 -0.387 17767 11521 1 17 . 1 1 78 78 LEU N N 78 123.860 123.860 127.522 -3.662 17767 11522 1 17 . 1 1 78 78 LEU HA H 78 4.910 4.910 4.990 -0.080 17767 11523 1 17 . 1 1 78 78 LEU C C 78 175.600 175.600 175.148 0.452 17767 11524 1 17 . 1 1 78 78 LEU CA C 78 53.170 53.170 53.552 -0.382 17767 11525 1 17 . 1 1 78 78 LEU CB C 78 45.780 45.780 46.984 -1.204 17767 11526 1 17 . 1 1 78 78 LEU H H 78 9.028 9.028 8.282 0.746 17767 11527 1 17 . 1 1 79 79 LYS N N 79 119.280 119.280 117.840 1.440 17767 11528 1 17 . 1 1 79 79 LYS HA H 79 5.615 5.615 5.102 0.513 17767 11529 1 17 . 1 1 79 79 LYS C C 79 176.600 176.600 175.102 1.498 17767 11530 1 17 . 1 1 79 79 LYS CA C 79 55.000 55.000 55.031 -0.031 17767 11531 1 17 . 1 1 79 79 LYS CB C 79 36.850 36.850 35.154 1.696 17767 11532 1 17 . 1 1 79 79 LYS H H 79 8.240 8.240 8.251 -0.011 17767 11533 1 17 . 1 1 80 80 CYS N N 80 115.980 115.980 122.508 -6.528 17767 11534 1 17 . 1 1 80 80 CYS HA H 80 4.700 4.700 4.716 -0.016 17767 11535 1 17 . 1 1 80 80 CYS C C 80 173.500 173.500 174.724 -1.224 17767 11536 1 17 . 1 1 80 80 CYS CA C 80 56.500 56.500 58.372 -1.872 17767 11537 1 17 . 1 1 80 80 CYS CB C 80 45.700 45.700 29.422 16.278 17767 11538 1 17 . 1 1 80 80 CYS H H 80 8.306 8.306 8.668 -0.362 17767 11539 1 17 . 1 1 81 81 THR N N 81 122.000 122.000 121.834 0.166 17767 11540 1 17 . 1 1 81 81 THR HA H 81 4.303 4.303 4.757 -0.454 17767 11541 1 17 . 1 1 81 81 THR C C 81 173.100 173.100 174.407 -1.307 17767 11542 1 17 . 1 1 81 81 THR CA C 81 62.460 62.460 60.882 1.578 17767 11543 1 17 . 1 1 81 81 THR CB C 81 68.200 68.200 68.346 -0.146 17767 11544 1 17 . 1 1 81 81 THR H H 81 8.840 8.840 8.531 0.309 17767 11545 1 17 . 1 1 82 82 VAL N N 82 132.160 132.160 122.999 9.161 17767 11546 1 17 . 1 1 82 82 VAL HA H 82 4.449 4.449 3.881 0.568 17767 11547 1 17 . 1 1 82 82 VAL C C 82 175.100 175.100 175.387 -0.287 17767 11548 1 17 . 1 1 82 82 VAL CA C 82 61.760 61.760 63.206 -1.446 17767 11549 1 17 . 1 1 82 82 VAL CB C 82 31.200 31.200 30.341 0.859 17767 11550 1 17 . 1 1 82 82 VAL H H 82 9.520 9.520 7.942 1.578 17767 11551 1 17 . 1 1 83 83 HIS N N 83 123.860 123.860 122.536 1.324 17767 11552 1 17 . 1 1 83 83 HIS HA H 83 5.009 5.009 4.878 0.131 17767 11553 1 17 . 1 1 83 83 HIS C C 83 173.500 173.500 172.861 0.639 17767 11554 1 17 . 1 1 83 83 HIS CA C 83 55.300 55.300 53.779 1.522 17767 11555 1 17 . 1 1 83 83 HIS CB C 83 33.400 33.400 32.577 0.823 17767 11556 1 17 . 1 1 83 83 HIS H H 83 8.740 8.740 8.879 -0.139 17767 11557 1 17 . 1 1 84 84 LEU N N 84 121.600 121.600 123.723 -2.123 17767 11558 1 17 . 1 1 84 84 LEU HA H 84 5.420 5.420 4.548 0.872 17767 11559 1 17 . 1 1 84 84 LEU C C 84 176.500 176.500 175.902 0.598 17767 11560 1 17 . 1 1 84 84 LEU CA C 84 53.790 53.790 54.516 -0.726 17767 11561 1 17 . 1 1 84 84 LEU CB C 84 44.740 44.740 42.873 1.867 17767 11562 1 17 . 1 1 84 84 LEU H H 84 8.850 8.850 8.458 0.392 17767 11563 1 17 . 1 1 85 85 ALA N N 85 128.800 128.800 129.030 -0.230 17767 11564 1 17 . 1 1 85 85 ALA HA H 85 4.750 4.750 4.632 0.118 17767 11565 1 17 . 1 1 85 85 ALA C C 85 177.000 177.000 176.732 0.268 17767 11566 1 17 . 1 1 85 85 ALA CA C 85 51.480 51.480 52.163 -0.683 17767 11567 1 17 . 1 1 85 85 ALA CB C 85 20.910 20.910 21.093 -0.183 17767 11568 1 17 . 1 1 85 85 ALA H H 85 9.230 9.230 8.783 0.447 17767 11569 1 17 . 1 1 86 86 ASN HA H 86 4.430 4.430 4.359 0.071 17767 11570 1 17 . 1 1 86 86 ASN C C 86 175.400 175.400 175.444 -0.044 17767 11571 1 17 . 1 1 86 86 ASN CA C 86 54.140 54.140 54.113 0.027 17767 11572 1 17 . 1 1 86 86 ASN CB C 86 37.550 37.550 37.241 0.309 17767 11573 1 17 . 1 1 87 87 GLY N N 87 103.430 103.430 101.869 1.561 17767 11574 1 17 . 1 1 87 87 GLY C C 87 173.800 173.800 173.921 -0.121 17767 11575 1 17 . 1 1 87 87 GLY CA C 87 45.670 45.670 45.069 0.601 17767 11576 1 17 . 1 1 87 87 GLY H H 87 8.620 8.620 8.437 0.183 17767 11577 1 17 . 1 1 88 88 LYS N N 88 120.490 120.490 120.935 -0.445 17767 11578 1 17 . 1 1 88 88 LYS HA H 88 5.120 5.120 4.865 0.255 17767 11579 1 17 . 1 1 88 88 LYS C C 88 175.500 175.500 175.126 0.374 17767 11580 1 17 . 1 1 88 88 LYS CA C 88 55.140 55.140 54.374 0.766 17767 11581 1 17 . 1 1 88 88 LYS CB C 88 34.610 34.610 34.645 -0.035 17767 11582 1 17 . 1 1 88 88 LYS H H 88 7.880 7.880 7.819 0.061 17767 11583 1 17 . 1 1 89 89 LEU N N 89 124.420 124.420 125.474 -1.054 17767 11584 1 17 . 1 1 89 89 LEU HA H 89 4.730 4.730 4.254 0.476 17767 11585 1 17 . 1 1 89 89 LEU C C 89 176.700 176.700 175.215 1.485 17767 11586 1 17 . 1 1 89 89 LEU CA C 89 54.500 54.500 54.468 0.032 17767 11587 1 17 . 1 1 89 89 LEU CB C 89 44.150 44.150 42.271 1.879 17767 11588 1 17 . 1 1 89 89 LEU H H 89 8.780 8.780 8.692 0.088 17767 11589 1 17 . 1 1 90 90 VAL N N 90 122.500 122.500 123.335 -0.835 17767 11590 1 17 . 1 1 90 90 VAL HA H 90 5.420 5.420 4.309 1.111 17767 11591 1 17 . 1 1 90 90 VAL C C 90 175.200 175.200 173.597 1.603 17767 11592 1 17 . 1 1 90 90 VAL CA C 90 60.350 60.350 60.064 0.286 17767 11593 1 17 . 1 1 90 90 VAL CB C 90 35.930 35.930 34.767 1.163 17767 11594 1 17 . 1 1 90 90 VAL H H 90 9.050 9.050 8.649 0.401 17767 11595 1 17 . 1 1 91 91 CYS N N 91 123.100 123.100 127.004 -3.904 17767 11596 1 17 . 1 1 91 91 CYS HA H 91 5.370 5.370 4.772 0.598 17767 11597 1 17 . 1 1 91 91 CYS C C 91 172.700 172.700 173.030 -0.330 17767 11598 1 17 . 1 1 91 91 CYS CA C 91 55.230 55.230 58.460 -3.230 17767 11599 1 17 . 1 1 91 91 CYS CB C 91 42.970 42.970 28.336 14.634 17767 11600 1 17 . 1 1 91 91 CYS H H 91 8.820 8.820 8.424 0.396 17767 11601 1 17 . 1 1 92 92 LYS N N 92 128.900 128.900 127.720 1.180 17767 11602 1 17 . 1 1 92 92 LYS HA H 92 5.000 5.000 5.012 -0.012 17767 11603 1 17 . 1 1 92 92 LYS C C 92 174.270 174.270 175.576 -1.306 17767 11604 1 17 . 1 1 92 92 LYS CA C 92 55.360 55.360 55.230 0.130 17767 11605 1 17 . 1 1 92 92 LYS CB C 92 35.960 35.960 34.487 1.472 17767 11606 1 17 . 1 1 92 92 LYS H H 92 9.450 9.450 8.391 1.059 17767 11607 1 17 . 1 1 93 93 SER N N 93 119.300 119.300 121.203 -1.903 17767 11608 1 17 . 1 1 93 93 SER HA H 93 4.710 4.710 4.789 -0.079 17767 11609 1 17 . 1 1 93 93 SER C C 93 174.200 174.200 174.486 -0.286 17767 11610 1 17 . 1 1 93 93 SER CA C 93 55.430 55.430 57.362 -1.932 17767 11611 1 17 . 1 1 93 93 SER CB C 93 66.460 66.460 64.835 1.625 17767 11612 1 17 . 1 1 93 93 SER H H 93 8.620 8.620 8.747 -0.127 17767 11613 1 17 . 1 1 94 94 GLU N N 94 119.900 119.900 119.417 0.483 17767 11614 1 17 . 1 1 94 94 GLU HA H 94 4.090 4.090 4.313 -0.223 17767 11615 1 17 . 1 1 94 94 GLU C C 94 177.600 177.600 175.578 2.022 17767 11616 1 17 . 1 1 94 94 GLU CA C 94 59.440 59.440 57.337 2.103 17767 11617 1 17 . 1 1 94 94 GLU CB C 94 29.360 29.360 29.774 -0.414 17767 11618 1 17 . 1 1 94 94 GLU H H 94 8.670 8.670 8.800 -0.130 17767 11619 1 17 . 1 1 95 95 LYS N N 95 113.500 113.500 116.568 -3.068 17767 11620 1 17 . 1 1 95 95 LYS HA H 95 4.430 4.430 4.108 0.322 17767 11621 1 17 . 1 1 95 95 LYS C C 95 175.980 175.980 175.318 0.662 17767 11622 1 17 . 1 1 95 95 LYS CA C 95 56.180 56.180 56.017 0.163 17767 11623 1 17 . 1 1 95 95 LYS CB C 95 35.220 35.220 33.462 1.758 17767 11624 1 17 . 1 1 95 95 LYS H H 95 8.300 8.300 7.722 0.578 17767 11625 1 17 . 1 1 96 96 PHE N N 96 113.270 113.270 116.741 -3.471 17767 11626 1 17 . 1 1 96 96 PHE HA H 96 5.860 5.860 4.536 1.324 17767 11627 1 17 . 1 1 96 96 PHE C C 96 173.900 173.900 173.665 0.235 17767 11628 1 17 . 1 1 96 96 PHE CA C 96 55.890 55.890 56.139 -0.249 17767 11629 1 17 . 1 1 96 96 PHE CB C 96 43.560 43.560 41.232 2.328 17767 11630 1 17 . 1 1 96 96 PHE H H 96 7.000 7.000 7.327 -0.327 17767 11631 1 17 . 1 1 97 97 SER N N 97 112.050 112.050 114.536 -2.486 17767 11632 1 17 . 1 1 97 97 SER HA H 97 5.220 5.220 4.702 0.518 17767 11633 1 17 . 1 1 97 97 SER C C 97 172.560 172.560 172.575 -0.015 17767 11634 1 17 . 1 1 97 97 SER CA C 97 57.870 57.870 58.500 -0.630 17767 11635 1 17 . 1 1 97 97 SER CB C 97 65.990 65.990 64.560 1.430 17767 11636 1 17 . 1 1 97 97 SER H H 97 8.790 8.790 8.913 -0.123 17767 11637 1 17 . 1 1 98 98 HIS N N 98 126.300 126.300 127.730 -1.430 17767 11638 1 17 . 1 1 98 98 HIS HA H 98 5.190 5.190 4.878 0.312 17767 11639 1 17 . 1 1 98 98 HIS C C 98 174.500 174.500 173.462 1.038 17767 11640 1 17 . 1 1 98 98 HIS CA C 98 56.260 56.260 54.912 1.348 17767 11641 1 17 . 1 1 98 98 HIS CB C 98 36.270 36.270 31.807 4.463 17767 11642 1 17 . 1 1 98 98 HIS H H 98 9.190 9.190 8.949 0.241 17767 11643 1 17 . 1 1 99 99 GLU N N 99 126.670 126.670 128.329 -1.659 17767 11644 1 17 . 1 1 99 99 GLU HA H 99 5.390 5.390 4.726 0.663 17767 11645 1 17 . 1 1 99 99 GLU C C 99 175.400 175.400 175.029 0.371 17767 11646 1 17 . 1 1 99 99 GLU CA C 99 55.000 55.000 55.164 -0.164 17767 11647 1 17 . 1 1 99 99 GLU CB C 99 34.000 34.000 32.191 1.809 17767 11648 1 17 . 1 1 99 99 GLU H H 99 8.350 8.350 8.814 -0.464 17767 11649 1 17 . 1 1 101 101 GLU N N 101 125.500 125.500 121.776 3.724 17767 11650 1 17 . 1 1 101 101 GLU HA H 101 5.160 5.160 4.519 0.641 17767 11651 1 17 . 1 1 101 101 GLU CA C 101 54.090 54.090 55.447 -1.357 17767 11652 1 17 . 1 1 101 101 GLU CB C 101 34.800 34.800 32.198 2.602 17767 11653 1 17 . 1 1 101 101 GLU H H 101 8.900 8.900 8.545 0.355 17767 11654 1 17 . 1 1 102 102 VAL N N 102 124.420 124.420 126.098 -1.678 17767 11655 1 17 . 1 1 102 102 VAL HA H 102 4.630 4.630 4.165 0.465 17767 11656 1 17 . 1 1 102 102 VAL C C 102 175.200 175.200 176.005 -0.805 17767 11657 1 17 . 1 1 102 102 VAL CA C 102 61.380 61.380 61.317 0.063 17767 11658 1 17 . 1 1 102 102 VAL CB C 102 34.100 34.100 32.252 1.848 17767 11659 1 17 . 1 1 102 102 VAL H H 102 8.790 8.790 8.511 0.279 17767 11660 1 17 . 1 1 103 103 LYS N N 103 129.480 129.480 129.565 -0.085 17767 11661 1 17 . 1 1 103 103 LYS HA H 103 4.570 4.570 4.477 0.093 17767 11662 1 17 . 1 1 103 103 LYS C C 103 176.500 176.500 176.597 -0.097 17767 11663 1 17 . 1 1 103 103 LYS CA C 103 55.340 55.340 55.040 0.300 17767 11664 1 17 . 1 1 103 103 LYS CB C 103 33.760 33.760 32.531 1.229 17767 11665 1 17 . 1 1 103 103 LYS H H 103 8.950 8.950 8.938 0.012 17767 11666 1 17 . 1 1 104 104 GLY N N 104 116.700 116.700 112.322 4.378 17767 11667 1 17 . 1 1 104 104 GLY C C 104 174.500 174.500 175.041 -0.541 17767 11668 1 17 . 1 1 104 104 GLY CA C 104 47.680 47.680 46.387 1.293 17767 11669 1 17 . 1 1 104 104 GLY H H 104 9.140 9.140 8.398 0.742 17767 11670 1 17 . 1 1 105 105 ASN N N 105 125.540 125.540 123.426 2.114 17767 11671 1 17 . 1 1 105 105 ASN HA H 105 5.000 5.000 4.943 0.057 17767 11672 1 17 . 1 1 105 105 ASN CA C 105 53.130 53.130 52.482 0.648 17767 11673 1 17 . 1 1 105 105 ASN CB C 105 39.060 39.060 39.332 -0.272 17767 11674 1 17 . 1 1 105 105 ASN H H 105 9.030 9.030 8.560 0.470 17767 11675 1 17 . 1 1 106 106 GLU N N 106 120.480 120.480 118.387 2.093 17767 11676 1 17 . 1 1 106 106 GLU HA H 106 5.550 5.550 4.988 0.562 17767 11677 1 17 . 1 1 106 106 GLU CA C 106 55.550 55.550 55.302 0.248 17767 11678 1 17 . 1 1 106 106 GLU CB C 106 33.160 33.160 34.363 -1.203 17767 11679 1 17 . 1 1 106 106 GLU H H 106 8.100 8.100 7.505 0.595 17767 11680 1 17 . 1 1 107 107 MET N N 107 124.080 124.080 122.186 1.894 17767 11681 1 17 . 1 1 107 107 MET HA H 107 5.120 5.120 5.256 -0.136 17767 11682 1 17 . 1 1 107 107 MET CA C 107 53.700 53.700 54.416 -0.716 17767 11683 1 17 . 1 1 107 107 MET CB C 107 36.800 36.800 36.852 -0.052 17767 11684 1 17 . 1 1 107 107 MET H H 107 8.930 8.930 9.178 -0.248 17767 11685 1 17 . 1 1 108 108 VAL N N 108 126.820 126.820 121.311 5.509 17767 11686 1 17 . 1 1 108 108 VAL HA H 108 5.250 5.250 4.813 0.437 17767 11687 1 17 . 1 1 108 108 VAL CA C 108 61.340 61.340 60.068 1.272 17767 11688 1 17 . 1 1 108 108 VAL CB C 108 34.900 34.900 32.502 2.398 17767 11689 1 17 . 1 1 108 108 VAL H H 108 9.017 9.017 8.731 0.286 17767 11690 1 17 . 1 1 109 109 GLU N N 109 128.300 128.300 126.289 2.011 17767 11691 1 17 . 1 1 109 109 GLU HA H 109 5.040 5.040 4.788 0.252 17767 11692 1 17 . 1 1 109 109 GLU C C 109 174.410 174.410 175.434 -1.024 17767 11693 1 17 . 1 1 109 109 GLU CA C 109 54.440 54.440 53.843 0.597 17767 11694 1 17 . 1 1 109 109 GLU CB C 109 34.760 34.760 32.558 2.202 17767 11695 1 17 . 1 1 109 109 GLU H H 109 9.100 9.100 7.963 1.137 17767 11696 1 17 . 1 1 110 110 THR N N 110 120.760 120.760 119.136 1.624 17767 11697 1 17 . 1 1 110 110 THR HA H 110 4.850 4.850 4.676 0.174 17767 11698 1 17 . 1 1 110 110 THR C C 110 174.900 174.900 173.421 1.479 17767 11699 1 17 . 1 1 110 110 THR CA C 110 61.980 61.980 61.825 0.155 17767 11700 1 17 . 1 1 110 110 THR CB C 110 69.520 69.520 69.547 -0.028 17767 11701 1 17 . 1 1 110 110 THR H H 110 8.876 8.876 8.758 0.118 17767 11702 1 17 . 1 1 111 111 ILE N N 111 131.030 131.030 126.332 4.698 17767 11703 1 17 . 1 1 111 111 ILE HA H 111 5.240 5.240 4.592 0.648 17767 11704 1 17 . 1 1 111 111 ILE C C 111 174.600 174.600 174.831 -0.231 17767 11705 1 17 . 1 1 111 111 ILE CA C 111 60.310 60.310 59.150 1.160 17767 11706 1 17 . 1 1 111 111 ILE CB C 111 41.220 41.220 40.740 0.480 17767 11707 1 17 . 1 1 111 111 ILE H H 111 9.490 9.490 8.243 1.247 17767 11708 1 17 . 1 1 112 112 THR N N 112 122.800 122.800 117.228 5.572 17767 11709 1 17 . 1 1 112 112 THR HA H 112 5.960 5.960 5.016 0.944 17767 11710 1 17 . 1 1 112 112 THR C C 112 174.370 174.370 173.327 1.043 17767 11711 1 17 . 1 1 112 112 THR CA C 112 61.180 61.180 62.225 -1.045 17767 11712 1 17 . 1 1 112 112 THR CB C 112 71.250 71.250 70.731 0.519 17767 11713 1 17 . 1 1 112 112 THR H H 112 9.490 9.490 8.344 1.146 17767 11714 1 17 . 1 1 113 113 PHE N N 113 124.980 124.980 124.700 0.280 17767 11715 1 17 . 1 1 113 113 PHE HA H 113 4.820 4.820 4.706 0.114 17767 11716 1 17 . 1 1 113 113 PHE C C 113 175.700 175.700 175.865 -0.165 17767 11717 1 17 . 1 1 113 113 PHE CA C 113 58.800 58.800 57.715 1.085 17767 11718 1 17 . 1 1 113 113 PHE CB C 113 43.480 43.480 42.882 0.598 17767 11719 1 17 . 1 1 113 113 PHE H H 113 9.000 9.000 8.495 0.505 17767 11720 1 17 . 1 1 114 114 GLY N N 114 116.550 116.550 110.951 5.599 17767 11721 1 17 . 1 1 114 114 GLY C C 114 175.300 175.300 174.687 0.613 17767 11722 1 17 . 1 1 114 114 GLY CA C 114 46.840 46.840 45.888 0.952 17767 11723 1 17 . 1 1 114 114 GLY H H 114 8.410 8.410 9.255 -0.845 17767 11724 1 17 . 1 1 115 115 GLY N N 115 105.640 105.640 106.753 -1.113 17767 11725 1 17 . 1 1 115 115 GLY C C 115 174.200 174.200 173.935 0.265 17767 11726 1 17 . 1 1 115 115 GLY CA C 115 44.890 44.890 44.998 -0.108 17767 11727 1 17 . 1 1 115 115 GLY H H 115 8.560 8.560 8.243 0.317 17767 11728 1 17 . 1 1 116 116 VAL N N 116 123.600 123.600 121.263 2.337 17767 11729 1 17 . 1 1 116 116 VAL HA H 116 4.310 4.310 4.296 0.014 17767 11730 1 17 . 1 1 116 116 VAL C C 116 174.640 174.640 174.695 -0.055 17767 11731 1 17 . 1 1 116 116 VAL CA C 116 62.250 62.250 60.799 1.451 17767 11732 1 17 . 1 1 116 116 VAL CB C 116 34.170 34.170 34.431 -0.261 17767 11733 1 17 . 1 1 116 116 VAL H H 116 8.164 8.164 7.714 0.450 17767 11734 1 17 . 1 1 117 117 THR N N 117 123.270 123.270 123.826 -0.556 17767 11735 1 17 . 1 1 117 117 THR HA H 117 5.250 5.250 4.481 0.769 17767 11736 1 17 . 1 1 117 117 THR C C 117 173.800 173.800 173.494 0.306 17767 11737 1 17 . 1 1 117 117 THR CA C 117 61.900 61.900 62.081 -0.181 17767 11738 1 17 . 1 1 117 117 THR CB C 117 70.450 70.450 68.662 1.788 17767 11739 1 17 . 1 1 117 117 THR H H 117 8.770 8.770 8.552 0.218 17767 11740 1 17 . 1 1 118 118 LEU N N 118 132.800 132.800 129.206 3.594 17767 11741 1 17 . 1 1 118 118 LEU HA H 118 4.880 4.880 4.458 0.422 17767 11742 1 17 . 1 1 118 118 LEU C C 118 175.200 175.200 174.811 0.389 17767 11743 1 17 . 1 1 118 118 LEU CA C 118 53.570 53.570 53.487 0.083 17767 11744 1 17 . 1 1 118 118 LEU CB C 118 44.730 44.730 42.586 2.144 17767 11745 1 17 . 1 1 118 118 LEU H H 118 9.700 9.700 7.910 1.790 17767 11746 1 17 . 1 1 119 119 ILE N N 119 124.980 124.980 128.184 -3.204 17767 11747 1 17 . 1 1 119 119 ILE HA H 119 5.240 5.240 4.190 1.050 17767 11748 1 17 . 1 1 119 119 ILE C C 119 175.900 175.900 175.685 0.215 17767 11749 1 17 . 1 1 119 119 ILE CA C 119 59.340 59.340 61.284 -1.944 17767 11750 1 17 . 1 1 119 119 ILE CB C 119 39.550 39.550 37.843 1.707 17767 11751 1 17 . 1 1 119 119 ILE H H 119 7.800 7.800 8.007 -0.207 17767 11752 1 17 . 1 1 120 120 ARG N N 120 126.110 126.110 127.451 -1.341 17767 11753 1 17 . 1 1 120 120 ARG HA H 120 5.040 5.040 4.699 0.341 17767 11754 1 17 . 1 1 120 120 ARG C C 120 175.300 175.300 174.710 0.590 17767 11755 1 17 . 1 1 120 120 ARG CA C 120 54.990 54.990 54.296 0.694 17767 11756 1 17 . 1 1 120 120 ARG CB C 120 34.760 34.760 33.702 1.058 17767 11757 1 17 . 1 1 120 120 ARG H H 120 9.400 9.400 8.688 0.712 17767 11758 1 17 . 1 1 121 121 ARG N N 121 126.600 126.600 120.372 6.228 17767 11759 1 17 . 1 1 121 121 ARG HA H 121 5.350 5.350 4.575 0.775 17767 11760 1 17 . 1 1 121 121 ARG C C 121 175.020 175.020 174.391 0.629 17767 11761 1 17 . 1 1 121 121 ARG CA C 121 55.250 55.250 55.402 -0.152 17767 11762 1 17 . 1 1 121 121 ARG CB C 121 31.830 31.830 32.871 -1.041 17767 11763 1 17 . 1 1 121 121 ARG H H 121 9.110 9.110 8.002 1.108 17767 11764 1 17 . 1 1 122 122 SER N N 122 118.200 118.200 118.768 -0.568 17767 11765 1 17 . 1 1 122 122 SER HA H 122 5.730 5.730 5.716 0.014 17767 11766 1 17 . 1 1 122 122 SER C C 122 173.010 173.010 173.104 -0.094 17767 11767 1 17 . 1 1 122 122 SER CA C 122 58.100 58.100 56.021 2.079 17767 11768 1 17 . 1 1 122 122 SER CB C 122 66.850 66.850 65.657 1.193 17767 11769 1 17 . 1 1 122 122 SER H H 122 9.290 9.290 9.194 0.096 17767 11770 1 17 . 1 1 123 123 LYS N N 123 120.480 120.480 123.390 -2.910 17767 11771 1 17 . 1 1 123 123 LYS HA H 123 5.780 5.780 5.092 0.688 17767 11772 1 17 . 1 1 123 123 LYS C C 123 175.600 175.600 175.572 0.028 17767 11773 1 17 . 1 1 123 123 LYS CA C 123 54.130 54.130 54.843 -0.713 17767 11774 1 17 . 1 1 123 123 LYS CB C 123 36.330 36.330 35.769 0.561 17767 11775 1 17 . 1 1 123 123 LYS H H 123 8.650 8.650 9.132 -0.482 17767 11776 1 17 . 1 1 124 124 ARG N N 124 124.980 124.980 125.893 -0.913 17767 11777 1 17 . 1 1 124 124 ARG HA H 124 3.940 3.940 4.665 -0.725 17767 11778 1 17 . 1 1 124 124 ARG C C 124 176.500 176.500 175.754 0.746 17767 11779 1 17 . 1 1 124 124 ARG CA C 124 56.900 56.900 56.672 0.228 17767 11780 1 17 . 1 1 124 124 ARG CB C 124 30.380 30.380 30.890 -0.510 17767 11781 1 17 . 1 1 124 124 ARG H H 124 8.200 8.200 8.892 -0.692 17767 11782 1 18 . 1 1 2 2 PHE HA H 2 4.460 4.460 4.692 -0.232 17767 11783 1 18 . 1 1 2 2 PHE C C 2 175.900 175.900 176.482 -0.582 17767 11784 1 18 . 1 1 2 2 PHE CA C 2 61.170 61.170 59.206 1.964 17767 11785 1 18 . 1 1 2 2 PHE CB C 2 40.690 40.690 40.093 0.597 17767 11786 1 18 . 1 1 3 3 SER N N 3 111.380 111.380 115.420 -4.040 17767 11787 1 18 . 1 1 3 3 SER HA H 3 4.420 4.420 4.369 0.051 17767 11788 1 18 . 1 1 3 3 SER C C 3 174.700 174.700 174.955 -0.255 17767 11789 1 18 . 1 1 3 3 SER CA C 3 60.000 60.000 59.949 0.051 17767 11790 1 18 . 1 1 3 3 SER CB C 3 64.140 64.140 62.701 1.439 17767 11791 1 18 . 1 1 3 3 SER H H 3 7.968 7.968 8.102 -0.135 17767 11792 1 18 . 1 1 4 4 GLY N N 4 111.480 111.480 113.494 -2.014 17767 11793 1 18 . 1 1 4 4 GLY C C 4 171.800 171.800 171.182 0.618 17767 11794 1 18 . 1 1 4 4 GLY CA C 4 44.150 44.150 45.308 -1.158 17767 11795 1 18 . 1 1 4 4 GLY H H 4 9.080 9.080 8.439 0.641 17767 11796 1 18 . 1 1 5 5 THR N N 5 117.770 117.770 113.407 4.363 17767 11797 1 18 . 1 1 5 5 THR HA H 5 4.980 4.980 4.987 -0.007 17767 11798 1 18 . 1 1 5 5 THR C C 5 173.190 173.190 173.037 0.153 17767 11799 1 18 . 1 1 5 5 THR CA C 5 62.930 62.930 60.148 2.782 17767 11800 1 18 . 1 1 5 5 THR CB C 5 69.310 69.310 70.590 -1.280 17767 11801 1 18 . 1 1 5 5 THR H H 5 8.270 8.270 7.722 0.548 17767 11802 1 18 . 1 1 6 6 TRP N N 6 127.500 127.500 126.208 1.292 17767 11803 1 18 . 1 1 6 6 TRP HA H 6 5.130 5.130 5.249 -0.119 17767 11804 1 18 . 1 1 6 6 TRP CA C 6 55.300 55.300 55.529 -0.229 17767 11805 1 18 . 1 1 6 6 TRP CB C 6 32.290 32.290 31.402 0.888 17767 11806 1 18 . 1 1 6 6 TRP H H 6 9.560 9.560 8.657 0.903 17767 11807 1 18 . 1 1 7 7 GLN HA H 7 4.970 4.970 4.772 0.198 17767 11808 1 18 . 1 1 7 7 GLN C C 7 175.900 175.900 174.543 1.357 17767 11809 1 18 . 1 1 7 7 GLN CA C 7 54.720 54.720 54.791 -0.071 17767 11810 1 18 . 1 1 7 7 GLN CB C 7 32.400 32.400 31.394 1.006 17767 11811 1 18 . 1 1 8 8 VAL N N 8 131.400 131.400 128.885 2.515 17767 11812 1 18 . 1 1 8 8 VAL HA H 8 4.450 4.450 4.870 -0.420 17767 11813 1 18 . 1 1 8 8 VAL CA C 8 63.500 63.500 61.760 1.740 17767 11814 1 18 . 1 1 8 8 VAL CB C 8 32.300 32.300 32.591 -0.291 17767 11815 1 18 . 1 1 8 8 VAL H H 8 8.270 8.270 8.731 -0.461 17767 11816 1 18 . 1 1 9 9 TYR N N 9 123.300 123.300 123.072 0.228 17767 11817 1 18 . 1 1 9 9 TYR HA H 9 5.140 5.140 4.786 0.354 17767 11818 1 18 . 1 1 9 9 TYR C C 9 174.600 174.600 173.438 1.162 17767 11819 1 18 . 1 1 9 9 TYR CA C 9 56.600 56.600 56.425 0.175 17767 11820 1 18 . 1 1 9 9 TYR CB C 9 40.880 40.880 40.195 0.685 17767 11821 1 18 . 1 1 9 9 TYR H H 9 9.570 9.570 9.213 0.357 17767 11822 1 18 . 1 1 10 10 ALA N N 10 125.800 125.800 126.187 -0.387 17767 11823 1 18 . 1 1 10 10 ALA HA H 10 4.680 4.680 4.404 0.276 17767 11824 1 18 . 1 1 10 10 ALA C C 10 175.200 175.200 176.386 -1.186 17767 11825 1 18 . 1 1 10 10 ALA CA C 10 51.780 51.780 51.850 -0.070 17767 11826 1 18 . 1 1 10 10 ALA CB C 10 22.070 22.070 21.067 1.003 17767 11827 1 18 . 1 1 10 10 ALA H H 10 7.330 7.330 8.126 -0.796 17767 11828 1 18 . 1 1 11 11 GLN N N 11 118.300 118.300 119.669 -1.369 17767 11829 1 18 . 1 1 11 11 GLN HA H 11 5.370 5.370 4.593 0.777 17767 11830 1 18 . 1 1 11 11 GLN C C 11 174.700 174.700 175.102 -0.402 17767 11831 1 18 . 1 1 11 11 GLN CA C 11 54.460 54.460 55.425 -0.965 17767 11832 1 18 . 1 1 11 11 GLN CB C 11 32.870 32.870 28.689 4.181 17767 11833 1 18 . 1 1 11 11 GLN H H 11 8.700 8.700 8.531 0.169 17767 11834 1 18 . 1 1 12 12 GLU N N 12 123.800 123.800 120.435 3.365 17767 11835 1 18 . 1 1 12 12 GLU HA H 12 4.600 4.600 4.661 -0.061 17767 11836 1 18 . 1 1 12 12 GLU C C 12 175.700 175.700 176.322 -0.622 17767 11837 1 18 . 1 1 12 12 GLU CA C 12 55.300 55.300 54.451 0.849 17767 11838 1 18 . 1 1 12 12 GLU CB C 12 31.760 31.760 30.924 0.836 17767 11839 1 18 . 1 1 12 12 GLU H H 12 9.130 9.130 8.299 0.831 17767 11840 1 18 . 1 1 13 13 ASN N N 13 117.550 117.550 120.293 -2.743 17767 11841 1 18 . 1 1 13 13 ASN HA H 13 4.790 4.790 4.717 0.073 17767 11842 1 18 . 1 1 13 13 ASN C C 13 175.600 175.600 174.905 0.695 17767 11843 1 18 . 1 1 13 13 ASN CA C 13 54.100 54.100 53.480 0.620 17767 11844 1 18 . 1 1 13 13 ASN CB C 13 37.100 37.100 36.878 0.222 17767 11845 1 18 . 1 1 13 13 ASN H H 13 9.130 9.130 8.844 0.286 17767 11846 1 18 . 1 1 14 14 TYR N N 14 118.280 118.280 124.055 -5.775 17767 11847 1 18 . 1 1 14 14 TYR HA H 14 4.360 4.360 4.397 -0.037 17767 11848 1 18 . 1 1 14 14 TYR C C 14 176.500 176.500 176.464 0.036 17767 11849 1 18 . 1 1 14 14 TYR CA C 14 60.590 60.590 62.053 -1.463 17767 11850 1 18 . 1 1 14 14 TYR CB C 14 39.450 39.450 39.780 -0.330 17767 11851 1 18 . 1 1 14 14 TYR H H 14 7.900 7.900 8.518 -0.618 17767 11852 1 18 . 1 1 15 15 GLU N N 15 118.600 118.600 119.122 -0.522 17767 11853 1 18 . 1 1 15 15 GLU HA H 15 3.550 3.550 4.063 -0.513 17767 11854 1 18 . 1 1 15 15 GLU C C 15 178.500 178.500 178.445 0.055 17767 11855 1 18 . 1 1 15 15 GLU CA C 15 61.170 61.170 59.807 1.363 17767 11856 1 18 . 1 1 15 15 GLU CB C 15 28.700 28.700 28.859 -0.159 17767 11857 1 18 . 1 1 15 15 GLU H H 15 8.960 8.960 9.176 -0.216 17767 11858 1 18 . 1 1 16 16 GLU N N 16 118.800 118.800 119.471 -0.671 17767 11859 1 18 . 1 1 16 16 GLU HA H 16 3.880 3.880 4.104 -0.224 17767 11860 1 18 . 1 1 16 16 GLU C C 16 178.600 178.600 178.476 0.124 17767 11861 1 18 . 1 1 16 16 GLU CA C 16 60.300 60.300 58.764 1.536 17767 11862 1 18 . 1 1 16 16 GLU CB C 16 28.600 28.600 29.371 -0.771 17767 11863 1 18 . 1 1 16 16 GLU H H 16 9.090 9.090 8.554 0.536 17767 11864 1 18 . 1 1 17 17 PHE N N 17 124.200 124.200 120.317 3.883 17767 11865 1 18 . 1 1 17 17 PHE HA H 17 3.960 3.960 4.246 -0.286 17767 11866 1 18 . 1 1 17 17 PHE C C 17 176.400 176.400 176.830 -0.430 17767 11867 1 18 . 1 1 17 17 PHE CA C 17 62.350 62.350 59.858 2.493 17767 11868 1 18 . 1 1 17 17 PHE CB C 17 40.380 40.380 38.883 1.497 17767 11869 1 18 . 1 1 17 17 PHE H H 17 8.410 8.410 7.376 1.034 17767 11870 1 18 . 1 1 18 18 LEU N N 18 116.400 116.400 118.597 -2.197 17767 11871 1 18 . 1 1 18 18 LEU HA H 18 3.780 3.780 3.478 0.302 17767 11872 1 18 . 1 1 18 18 LEU C C 18 178.800 178.800 178.694 0.106 17767 11873 1 18 . 1 1 18 18 LEU CA C 18 58.240 58.240 57.559 0.681 17767 11874 1 18 . 1 1 18 18 LEU CB C 18 41.220 41.220 41.083 0.137 17767 11875 1 18 . 1 1 18 18 LEU H H 18 8.200 8.200 7.688 0.512 17767 11876 1 18 . 1 1 19 19 LYS N N 19 116.590 116.590 115.753 0.837 17767 11877 1 18 . 1 1 19 19 LYS HA H 19 4.040 4.040 4.128 -0.088 17767 11878 1 18 . 1 1 19 19 LYS C C 19 179.800 179.800 178.041 1.759 17767 11879 1 18 . 1 1 19 19 LYS CA C 19 58.820 58.820 58.271 0.549 17767 11880 1 18 . 1 1 19 19 LYS CB C 19 32.150 32.150 32.052 0.098 17767 11881 1 18 . 1 1 19 19 LYS H H 19 7.790 7.790 7.570 0.220 17767 11882 1 18 . 1 1 20 20 ALA N N 20 126.110 126.110 120.375 5.735 17767 11883 1 18 . 1 1 20 20 ALA HA H 20 4.160 4.160 4.298 -0.138 17767 11884 1 18 . 1 1 20 20 ALA C C 20 178.600 178.600 178.038 0.562 17767 11885 1 18 . 1 1 20 20 ALA CA C 20 55.300 55.300 53.596 1.704 17767 11886 1 18 . 1 1 20 20 ALA CB C 20 17.700 17.700 19.041 -1.341 17767 11887 1 18 . 1 1 20 20 ALA H H 20 7.990 7.990 7.360 0.630 17767 11888 1 18 . 1 1 21 21 LEU N N 21 117.110 117.110 117.216 -0.106 17767 11889 1 18 . 1 1 21 21 LEU HA H 21 3.688 3.688 4.287 -0.599 17767 11890 1 18 . 1 1 21 21 LEU C C 21 176.100 176.100 176.093 0.007 17767 11891 1 18 . 1 1 21 21 LEU CA C 21 55.400 55.400 53.899 1.501 17767 11892 1 18 . 1 1 21 21 LEU CB C 21 42.700 42.700 41.755 0.945 17767 11893 1 18 . 1 1 21 21 LEU H H 21 7.380 7.380 7.013 0.367 17767 11894 1 18 . 1 1 22 22 ALA N N 22 118.800 118.800 118.734 0.066 17767 11895 1 18 . 1 1 22 22 ALA HA H 22 3.985 3.985 3.976 0.009 17767 11896 1 18 . 1 1 22 22 ALA C C 22 177.000 177.000 176.851 0.149 17767 11897 1 18 . 1 1 22 22 ALA CA C 22 52.370 52.370 52.550 -0.180 17767 11898 1 18 . 1 1 22 22 ALA CB C 22 15.960 15.960 16.765 -0.805 17767 11899 1 18 . 1 1 22 22 ALA H H 22 7.920 7.920 7.167 0.753 17767 11900 1 18 . 1 1 23 23 LEU N N 23 118.470 118.470 119.603 -1.133 17767 11901 1 18 . 1 1 23 23 LEU HA H 23 4.425 4.425 4.449 -0.024 17767 11902 1 18 . 1 1 23 23 LEU C C 23 174.500 174.500 174.748 -0.248 17767 11903 1 18 . 1 1 23 23 LEU CA C 23 54.130 54.130 52.515 1.615 17767 11904 1 18 . 1 1 23 23 LEU CB C 23 41.220 41.220 42.400 -1.180 17767 11905 1 18 . 1 1 23 23 LEU H H 23 6.950 6.950 7.464 -0.514 17767 11906 1 18 . 1 1 24 24 PRO HA H 24 4.475 4.475 4.532 -0.057 17767 11907 1 18 . 1 1 24 24 PRO C C 24 177.500 177.500 177.594 -0.094 17767 11908 1 18 . 1 1 24 24 PRO CA C 24 62.940 62.940 62.678 0.262 17767 11909 1 18 . 1 1 24 24 PRO CB C 24 32.600 32.600 32.327 0.273 17767 11910 1 18 . 1 1 25 25 GLU N N 25 122.500 122.500 124.172 -1.672 17767 11911 1 18 . 1 1 25 25 GLU HA H 25 3.860 3.860 3.837 0.023 17767 11912 1 18 . 1 1 25 25 GLU C C 25 177.900 177.900 178.547 -0.647 17767 11913 1 18 . 1 1 25 25 GLU CA C 25 60.100 60.100 60.357 -0.257 17767 11914 1 18 . 1 1 25 25 GLU CB C 25 29.690 29.690 29.380 0.310 17767 11915 1 18 . 1 1 25 25 GLU H H 25 8.840 8.840 8.908 -0.068 17767 11916 1 18 . 1 1 26 26 ASP N N 26 117.110 117.110 117.853 -0.743 17767 11917 1 18 . 1 1 26 26 ASP HA H 26 4.360 4.360 4.426 -0.066 17767 11918 1 18 . 1 1 26 26 ASP C C 26 177.900 177.900 178.157 -0.257 17767 11919 1 18 . 1 1 26 26 ASP CA C 26 57.080 57.080 56.865 0.215 17767 11920 1 18 . 1 1 26 26 ASP CB C 26 40.040 40.040 40.587 -0.547 17767 11921 1 18 . 1 1 26 26 ASP H H 26 8.920 8.920 8.452 0.468 17767 11922 1 18 . 1 1 27 27 LEU N N 27 121.990 121.990 120.784 1.206 17767 11923 1 18 . 1 1 27 27 LEU HA H 27 4.270 4.270 4.122 0.148 17767 11924 1 18 . 1 1 27 27 LEU C C 27 178.070 178.070 178.347 -0.277 17767 11925 1 18 . 1 1 27 27 LEU CA C 27 57.650 57.650 57.552 0.098 17767 11926 1 18 . 1 1 27 27 LEU CB C 27 42.230 42.230 42.236 -0.006 17767 11927 1 18 . 1 1 27 27 LEU H H 27 7.220 7.220 7.424 -0.204 17767 11928 1 18 . 1 1 28 28 ILE N N 28 120.350 120.350 119.699 0.651 17767 11929 1 18 . 1 1 28 28 ILE HA H 28 3.317 3.317 3.501 -0.184 17767 11930 1 18 . 1 1 28 28 ILE C C 28 177.400 177.400 177.948 -0.548 17767 11931 1 18 . 1 1 28 28 ILE CA C 28 67.040 67.040 65.592 1.448 17767 11932 1 18 . 1 1 28 28 ILE CB C 28 37.110 37.110 37.475 -0.365 17767 11933 1 18 . 1 1 28 28 ILE H H 28 7.900 7.900 8.226 -0.326 17767 11934 1 18 . 1 1 29 29 LYS N N 29 117.110 117.110 117.887 -0.777 17767 11935 1 18 . 1 1 29 29 LYS HA H 29 3.947 3.947 4.024 -0.077 17767 11936 1 18 . 1 1 29 29 LYS C C 29 178.900 178.900 178.134 0.766 17767 11937 1 18 . 1 1 29 29 LYS CA C 29 60.000 60.000 59.465 0.535 17767 11938 1 18 . 1 1 29 29 LYS CB C 29 32.390 32.390 32.294 0.096 17767 11939 1 18 . 1 1 29 29 LYS H H 29 7.850 7.850 7.767 0.083 17767 11940 1 18 . 1 1 30 30 MET N N 30 117.110 117.110 116.378 0.732 17767 11941 1 18 . 1 1 30 30 MET HA H 30 4.320 4.320 4.529 -0.209 17767 11942 1 18 . 1 1 30 30 MET C C 30 177.500 177.500 178.286 -0.786 17767 11943 1 18 . 1 1 30 30 MET CA C 30 57.650 57.650 55.909 1.741 17767 11944 1 18 . 1 1 30 30 MET CB C 30 32.970 32.970 32.424 0.546 17767 11945 1 18 . 1 1 30 30 MET H H 30 7.450 7.450 7.521 -0.071 17767 11946 1 18 . 1 1 31 31 ALA N N 31 120.480 120.480 122.920 -2.440 17767 11947 1 18 . 1 1 31 31 ALA HA H 31 4.270 4.270 4.179 0.091 17767 11948 1 18 . 1 1 31 31 ALA CA C 31 53.545 53.545 54.582 -1.037 17767 11949 1 18 . 1 1 31 31 ALA CB C 31 19.290 19.290 18.417 0.873 17767 11950 1 18 . 1 1 31 31 ALA H H 31 8.420 8.420 8.265 0.155 17767 11951 1 18 . 1 1 32 32 ARG N N 32 122.170 122.170 115.748 6.422 17767 11952 1 18 . 1 1 32 32 ARG HA H 32 4.109 4.109 4.041 0.068 17767 11953 1 18 . 1 1 32 32 ARG C C 32 176.500 176.500 177.194 -0.694 17767 11954 1 18 . 1 1 32 32 ARG CA C 32 61.170 61.170 58.725 2.445 17767 11955 1 18 . 1 1 32 32 ARG CB C 32 30.600 30.600 30.259 0.341 17767 11956 1 18 . 1 1 32 32 ARG H H 32 7.770 7.770 7.744 0.026 17767 11957 1 18 . 1 1 33 33 ASP N N 33 116.550 116.550 115.874 0.676 17767 11958 1 18 . 1 1 33 33 ASP HA H 33 4.920 4.920 4.630 0.290 17767 11959 1 18 . 1 1 33 33 ASP C C 33 175.900 175.900 175.190 0.710 17767 11960 1 18 . 1 1 33 33 ASP CA C 33 54.130 54.130 54.072 0.058 17767 11961 1 18 . 1 1 33 33 ASP CB C 33 41.760 41.760 42.549 -0.789 17767 11962 1 18 . 1 1 33 33 ASP H H 33 8.330 8.330 7.768 0.562 17767 11963 1 18 . 1 1 34 34 ILE N N 34 120.060 120.060 120.702 -0.642 17767 11964 1 18 . 1 1 34 34 ILE HA H 34 4.120 4.120 4.104 0.016 17767 11965 1 18 . 1 1 34 34 ILE C C 34 176.100 176.100 175.245 0.855 17767 11966 1 18 . 1 1 34 34 ILE CA C 34 61.170 61.170 61.877 -0.707 17767 11967 1 18 . 1 1 34 34 ILE CB C 34 37.860 37.860 38.517 -0.656 17767 11968 1 18 . 1 1 34 34 ILE H H 34 7.240 7.240 7.124 0.116 17767 11969 1 18 . 1 1 35 35 LYS N N 35 131.170 131.170 128.107 3.063 17767 11970 1 18 . 1 1 35 35 LYS HA H 35 4.700 4.700 4.841 -0.141 17767 11971 1 18 . 1 1 35 35 LYS C C 35 173.700 173.700 174.505 -0.805 17767 11972 1 18 . 1 1 35 35 LYS CA C 35 52.970 52.970 54.096 -1.126 17767 11973 1 18 . 1 1 35 35 LYS CB C 35 32.750 32.750 33.029 -0.279 17767 11974 1 18 . 1 1 35 35 LYS H H 35 8.980 8.980 8.641 0.339 17767 11975 1 18 . 1 1 36 36 PRO HA H 36 4.510 4.510 4.459 0.051 17767 11976 1 18 . 1 1 36 36 PRO CA C 36 63.523 63.523 62.976 0.547 17767 11977 1 18 . 1 1 36 36 PRO CB C 36 32.840 32.840 32.896 -0.056 17767 11978 1 18 . 1 1 37 37 ILE HA H 37 4.920 4.920 4.303 0.617 17767 11979 1 18 . 1 1 37 37 ILE C C 37 175.500 175.500 175.250 0.250 17767 11980 1 18 . 1 1 37 37 ILE CA C 37 60.588 60.588 59.859 0.729 17767 11981 1 18 . 1 1 37 37 ILE CB C 37 40.630 40.630 39.679 0.951 17767 11982 1 18 . 1 1 38 38 VAL N N 38 129.000 129.000 128.800 0.200 17767 11983 1 18 . 1 1 38 38 VAL HA H 38 5.120 5.120 4.336 0.784 17767 11984 1 18 . 1 1 38 38 VAL C C 38 175.100 175.100 174.926 0.174 17767 11985 1 18 . 1 1 38 38 VAL CA C 38 61.176 61.176 60.957 0.219 17767 11986 1 18 . 1 1 38 38 VAL CB C 38 34.850 34.850 31.672 3.178 17767 11987 1 18 . 1 1 38 38 VAL H H 38 9.540 9.540 8.982 0.557 17767 11988 1 18 . 1 1 39 39 GLU N N 39 128.350 128.350 129.050 -0.700 17767 11989 1 18 . 1 1 39 39 GLU HA H 39 5.440 5.440 4.630 0.810 17767 11990 1 18 . 1 1 39 39 GLU C C 39 176.000 176.000 174.727 1.273 17767 11991 1 18 . 1 1 39 39 GLU CA C 39 54.720 54.720 56.645 -1.925 17767 11992 1 18 . 1 1 39 39 GLU CB C 39 32.410 32.410 30.985 1.425 17767 11993 1 18 . 1 1 39 39 GLU H H 39 9.590 9.590 8.294 1.296 17767 11994 1 18 . 1 1 40 40 ILE N N 40 126.110 126.110 125.977 0.133 17767 11995 1 18 . 1 1 40 40 ILE HA H 40 5.050 5.050 5.004 0.046 17767 11996 1 18 . 1 1 40 40 ILE C C 40 175.800 175.800 173.184 2.616 17767 11997 1 18 . 1 1 40 40 ILE CA C 40 61.330 61.330 58.778 2.552 17767 11998 1 18 . 1 1 40 40 ILE CB C 40 40.160 40.160 42.265 -2.105 17767 11999 1 18 . 1 1 40 40 ILE H H 40 9.630 9.630 8.636 0.994 17767 12000 1 18 . 1 1 41 41 GLN N N 41 128.360 128.360 126.716 1.644 17767 12001 1 18 . 1 1 41 41 GLN HA H 41 4.720 4.720 5.057 -0.337 17767 12002 1 18 . 1 1 41 41 GLN C C 41 173.900 173.900 174.232 -0.332 17767 12003 1 18 . 1 1 41 41 GLN CA C 41 54.940 54.940 53.474 1.466 17767 12004 1 18 . 1 1 41 41 GLN CB C 41 31.820 31.820 32.205 -0.385 17767 12005 1 18 . 1 1 41 41 GLN H H 41 9.270 9.270 8.401 0.869 17767 12006 1 18 . 1 1 42 42 GLN N N 42 126.110 126.110 123.253 2.857 17767 12007 1 18 . 1 1 42 42 GLN HA H 42 4.380 4.380 4.287 0.093 17767 12008 1 18 . 1 1 42 42 GLN C C 42 174.700 174.700 175.395 -0.695 17767 12009 1 18 . 1 1 42 42 GLN CA C 42 54.150 54.150 53.474 0.676 17767 12010 1 18 . 1 1 42 42 GLN CB C 42 30.000 30.000 31.420 -1.420 17767 12011 1 18 . 1 1 42 42 GLN H H 42 8.250 8.250 8.693 -0.443 17767 12012 1 18 . 1 1 43 43 LYS N N 43 130.610 130.610 120.760 9.850 17767 12013 1 18 . 1 1 43 43 LYS HA H 43 4.460 4.460 4.393 0.067 17767 12014 1 18 . 1 1 43 43 LYS C C 43 176.030 176.030 175.694 0.336 17767 12015 1 18 . 1 1 43 43 LYS CA C 43 55.306 55.306 55.922 -0.616 17767 12016 1 18 . 1 1 43 43 LYS CB C 43 33.270 33.270 33.466 -0.196 17767 12017 1 18 . 1 1 43 43 LYS H H 43 8.820 8.820 8.272 0.548 17767 12018 1 18 . 1 1 44 44 GLY N N 44 117.110 117.110 113.489 3.621 17767 12019 1 18 . 1 1 44 44 GLY C C 44 174.300 174.300 174.180 0.120 17767 12020 1 18 . 1 1 44 44 GLY CA C 44 47.480 47.480 46.865 0.615 17767 12021 1 18 . 1 1 44 44 GLY H H 44 8.940 8.940 8.657 0.283 17767 12022 1 18 . 1 1 45 45 ASP N N 45 127.799 127.799 123.865 3.934 17767 12023 1 18 . 1 1 45 45 ASP HA H 45 4.870 4.870 4.963 -0.093 17767 12024 1 18 . 1 1 45 45 ASP C C 45 174.700 174.700 175.725 -1.025 17767 12025 1 18 . 1 1 45 45 ASP CA C 45 54.719 54.719 54.079 0.640 17767 12026 1 18 . 1 1 45 45 ASP CB C 45 41.270 41.270 42.358 -1.089 17767 12027 1 18 . 1 1 45 45 ASP H H 45 8.870 8.870 8.269 0.601 17767 12028 1 18 . 1 1 46 46 ASP N N 46 120.480 120.480 121.731 -1.251 17767 12029 1 18 . 1 1 46 46 ASP HA H 46 5.230 5.230 5.399 -0.169 17767 12030 1 18 . 1 1 46 46 ASP C C 46 175.070 175.070 174.878 0.192 17767 12031 1 18 . 1 1 46 46 ASP CA C 46 54.132 54.132 55.608 -1.476 17767 12032 1 18 . 1 1 46 46 ASP CB C 46 41.570 41.570 42.114 -0.544 17767 12033 1 18 . 1 1 46 46 ASP H H 46 8.060 8.060 7.605 0.455 17767 12034 1 18 . 1 1 47 47 PHE N N 47 122.730 122.730 122.785 -0.055 17767 12035 1 18 . 1 1 47 47 PHE HA H 47 5.090 5.090 4.838 0.252 17767 12036 1 18 . 1 1 47 47 PHE C C 47 176.400 176.400 174.633 1.767 17767 12037 1 18 . 1 1 47 47 PHE CA C 47 56.420 56.420 55.358 1.062 17767 12038 1 18 . 1 1 47 47 PHE CB C 47 44.150 44.150 42.442 1.708 17767 12039 1 18 . 1 1 47 47 PHE H H 47 9.296 9.296 9.139 0.157 17767 12040 1 18 . 1 1 48 48 VAL N N 48 121.690 121.690 121.791 -0.101 17767 12041 1 18 . 1 1 48 48 VAL HA H 48 4.500 4.500 4.488 0.012 17767 12042 1 18 . 1 1 48 48 VAL C C 48 175.700 175.700 174.742 0.958 17767 12043 1 18 . 1 1 48 48 VAL CA C 48 62.930 62.930 61.414 1.516 17767 12044 1 18 . 1 1 48 48 VAL CB C 48 34.670 34.670 32.781 1.889 17767 12045 1 18 . 1 1 48 48 VAL H H 48 8.520 8.520 8.894 -0.374 17767 12046 1 18 . 1 1 49 49 VAL N N 49 127.200 127.200 129.069 -1.869 17767 12047 1 18 . 1 1 49 49 VAL HA H 49 5.250 5.250 4.497 0.753 17767 12048 1 18 . 1 1 49 49 VAL C C 49 175.700 175.700 175.137 0.563 17767 12049 1 18 . 1 1 49 49 VAL CA C 49 61.180 61.180 61.790 -0.610 17767 12050 1 18 . 1 1 49 49 VAL CB C 49 34.660 34.660 33.206 1.454 17767 12051 1 18 . 1 1 49 49 VAL H H 49 9.330 9.330 9.292 0.038 17767 12052 1 18 . 1 1 50 50 THR N N 50 128.500 128.500 125.766 2.734 17767 12053 1 18 . 1 1 50 50 THR HA H 50 5.430 5.430 4.933 0.497 17767 12054 1 18 . 1 1 50 50 THR C C 50 173.810 173.810 173.486 0.324 17767 12055 1 18 . 1 1 50 50 THR CA C 50 61.530 61.530 61.614 -0.084 17767 12056 1 18 . 1 1 50 50 THR CB C 50 70.760 70.760 69.570 1.190 17767 12057 1 18 . 1 1 50 50 THR H H 50 9.730 9.730 9.375 0.355 17767 12058 1 18 . 1 1 51 51 SER N N 51 122.730 122.730 123.851 -1.121 17767 12059 1 18 . 1 1 51 51 SER HA H 51 5.430 5.430 4.826 0.604 17767 12060 1 18 . 1 1 51 51 SER C C 51 173.800 173.800 173.712 0.088 17767 12061 1 18 . 1 1 51 51 SER CA C 51 57.060 57.060 57.215 -0.155 17767 12062 1 18 . 1 1 51 51 SER CB C 51 64.550 64.550 63.334 1.216 17767 12063 1 18 . 1 1 51 51 SER H H 51 9.190 9.190 8.284 0.906 17767 12064 1 18 . 1 1 52 52 LYS N N 52 125.550 125.550 128.405 -2.855 17767 12065 1 18 . 1 1 52 52 LYS HA H 52 5.310 5.310 4.592 0.718 17767 12066 1 18 . 1 1 52 52 LYS C C 52 175.900 175.900 176.144 -0.244 17767 12067 1 18 . 1 1 52 52 LYS CA C 52 56.120 56.120 55.816 0.303 17767 12068 1 18 . 1 1 52 52 LYS CB C 52 36.130 36.130 33.809 2.321 17767 12069 1 18 . 1 1 52 52 LYS H H 52 9.490 9.490 8.637 0.853 17767 12070 1 18 . 1 1 53 53 THR N N 53 115.980 115.980 116.652 -0.672 17767 12071 1 18 . 1 1 53 53 THR HA H 53 5.024 5.024 5.000 0.024 17767 12072 1 18 . 1 1 53 53 THR C C 53 173.400 173.400 174.863 -1.463 17767 12073 1 18 . 1 1 53 53 THR CA C 53 59.140 59.140 58.205 0.935 17767 12074 1 18 . 1 1 53 53 THR CB C 53 69.300 69.300 70.434 -1.135 17767 12075 1 18 . 1 1 53 53 THR H H 53 8.760 8.760 8.840 -0.080 17767 12076 1 18 . 1 1 54 54 PRO HA H 54 4.350 4.350 4.419 -0.069 17767 12077 1 18 . 1 1 54 54 PRO C C 54 177.200 177.200 177.215 -0.015 17767 12078 1 18 . 1 1 54 54 PRO CA C 54 66.458 66.458 64.537 1.921 17767 12079 1 18 . 1 1 54 54 PRO CB C 54 32.400 32.400 31.981 0.419 17767 12080 1 18 . 1 1 55 55 ARG N N 55 111.480 111.480 116.247 -4.767 17767 12081 1 18 . 1 1 55 55 ARG HA H 55 4.510 4.510 4.607 -0.097 17767 12082 1 18 . 1 1 55 55 ARG C C 55 175.800 175.800 174.646 1.154 17767 12083 1 18 . 1 1 55 55 ARG CA C 55 55.893 55.893 56.086 -0.193 17767 12084 1 18 . 1 1 55 55 ARG CB C 55 32.520 32.520 31.673 0.847 17767 12085 1 18 . 1 1 55 55 ARG H H 55 8.010 8.010 7.945 0.065 17767 12086 1 18 . 1 1 56 56 GLN N N 56 118.230 118.230 118.841 -0.611 17767 12087 1 18 . 1 1 56 56 GLN HA H 56 4.830 4.830 4.492 0.338 17767 12088 1 18 . 1 1 56 56 GLN C C 56 174.200 174.200 173.451 0.749 17767 12089 1 18 . 1 1 56 56 GLN CA C 56 55.610 55.610 56.129 -0.519 17767 12090 1 18 . 1 1 56 56 GLN CB C 56 32.880 32.880 32.083 0.797 17767 12091 1 18 . 1 1 56 56 GLN H H 56 7.530 7.530 7.714 -0.184 17767 12092 1 18 . 1 1 57 57 THR N N 57 120.480 120.480 120.452 0.028 17767 12093 1 18 . 1 1 57 57 THR HA H 57 5.330 5.330 5.213 0.117 17767 12094 1 18 . 1 1 57 57 THR C C 57 174.000 174.000 173.856 0.144 17767 12095 1 18 . 1 1 57 57 THR CA C 57 61.760 61.760 61.725 0.035 17767 12096 1 18 . 1 1 57 57 THR CB C 57 71.500 71.500 69.748 1.752 17767 12097 1 18 . 1 1 57 57 THR H H 57 8.610 8.610 8.398 0.212 17767 12098 1 18 . 1 1 58 58 VAL N N 58 125.200 125.200 122.417 2.783 17767 12099 1 18 . 1 1 58 58 VAL HA H 58 4.540 4.540 4.640 -0.100 17767 12100 1 18 . 1 1 58 58 VAL C C 58 174.400 174.400 174.399 0.001 17767 12101 1 18 . 1 1 58 58 VAL CA C 58 61.170 61.170 59.330 1.840 17767 12102 1 18 . 1 1 58 58 VAL CB C 58 35.560 35.560 33.781 1.779 17767 12103 1 18 . 1 1 58 58 VAL H H 58 8.830 8.830 8.448 0.382 17767 12104 1 18 . 1 1 59 59 THR N N 59 125.500 125.500 117.571 7.929 17767 12105 1 18 . 1 1 59 59 THR HA H 59 5.260 5.260 4.911 0.349 17767 12106 1 18 . 1 1 59 59 THR C C 59 173.400 173.400 173.534 -0.134 17767 12107 1 18 . 1 1 59 59 THR CA C 59 61.980 61.980 61.337 0.644 17767 12108 1 18 . 1 1 59 59 THR CB C 59 71.150 71.150 70.690 0.460 17767 12109 1 18 . 1 1 59 59 THR H H 59 8.870 8.870 8.184 0.686 17767 12110 1 18 . 1 1 60 60 ASN N N 60 124.700 124.700 126.594 -1.894 17767 12111 1 18 . 1 1 60 60 ASN HA H 60 5.270 5.270 5.084 0.186 17767 12112 1 18 . 1 1 60 60 ASN C C 60 173.300 173.300 173.884 -0.584 17767 12113 1 18 . 1 1 60 60 ASN CA C 60 53.000 53.000 52.289 0.711 17767 12114 1 18 . 1 1 60 60 ASN CB C 60 44.700 44.700 41.010 3.690 17767 12115 1 18 . 1 1 60 60 ASN H H 60 9.180 9.180 9.198 -0.018 17767 12116 1 18 . 1 1 61 61 SER N N 61 115.980 115.980 118.477 -2.497 17767 12117 1 18 . 1 1 61 61 SER HA H 61 5.430 5.430 5.453 -0.023 17767 12118 1 18 . 1 1 61 61 SER C C 61 173.300 173.300 173.431 -0.131 17767 12119 1 18 . 1 1 61 61 SER CA C 61 57.060 57.060 56.538 0.522 17767 12120 1 18 . 1 1 61 61 SER CB C 61 65.590 65.590 66.093 -0.503 17767 12121 1 18 . 1 1 61 61 SER H H 61 8.840 8.840 8.718 0.122 17767 12122 1 18 . 1 1 62 62 PHE N N 62 117.670 117.670 117.465 0.205 17767 12123 1 18 . 1 1 62 62 PHE HA H 62 5.020 5.020 4.897 0.123 17767 12124 1 18 . 1 1 62 62 PHE C C 62 173.100 173.100 172.839 0.261 17767 12125 1 18 . 1 1 62 62 PHE CA C 62 56.590 56.590 56.766 -0.176 17767 12126 1 18 . 1 1 62 62 PHE CB C 62 40.030 40.030 40.170 -0.140 17767 12127 1 18 . 1 1 62 62 PHE H H 62 8.235 8.235 8.776 -0.541 17767 12128 1 18 . 1 1 63 63 THR N N 63 119.920 119.920 115.631 4.289 17767 12129 1 18 . 1 1 63 63 THR HA H 63 5.500 5.500 5.121 0.379 17767 12130 1 18 . 1 1 63 63 THR C C 63 175.600 175.600 174.582 1.018 17767 12131 1 18 . 1 1 63 63 THR CA C 63 61.170 61.170 61.099 0.071 17767 12132 1 18 . 1 1 63 63 THR CB C 63 72.320 72.320 70.775 1.545 17767 12133 1 18 . 1 1 63 63 THR H H 63 9.650 9.650 8.806 0.844 17767 12134 1 18 . 1 1 64 64 LEU N N 64 126.300 126.300 127.558 -1.258 17767 12135 1 18 . 1 1 64 64 LEU HA H 64 4.430 4.430 3.831 0.599 17767 12136 1 18 . 1 1 64 64 LEU C C 64 178.000 178.000 178.410 -0.410 17767 12137 1 18 . 1 1 64 64 LEU CA C 64 56.100 56.100 56.354 -0.254 17767 12138 1 18 . 1 1 64 64 LEU CB C 64 41.330 41.330 40.760 0.570 17767 12139 1 18 . 1 1 64 64 LEU H H 64 9.280 9.280 8.875 0.405 17767 12140 1 18 . 1 1 65 65 GLY N N 65 107.520 107.520 112.407 -4.887 17767 12141 1 18 . 1 1 65 65 GLY C C 65 173.800 173.800 173.576 0.224 17767 12142 1 18 . 1 1 65 65 GLY CA C 65 45.780 45.780 45.048 0.732 17767 12143 1 18 . 1 1 65 65 GLY H H 65 9.110 9.110 8.950 0.160 17767 12144 1 18 . 1 1 66 66 LYS N N 66 121.600 121.600 120.844 0.756 17767 12145 1 18 . 1 1 66 66 LYS HA H 66 4.780 4.780 4.565 0.215 17767 12146 1 18 . 1 1 66 66 LYS C C 66 175.600 175.600 174.742 0.858 17767 12147 1 18 . 1 1 66 66 LYS CA C 66 54.100 54.100 54.716 -0.616 17767 12148 1 18 . 1 1 66 66 LYS CB C 66 34.620 34.620 35.240 -0.620 17767 12149 1 18 . 1 1 66 66 LYS H H 66 7.910 7.910 7.871 0.039 17767 12150 1 18 . 1 1 67 67 GLU N N 67 129.400 129.400 123.450 5.950 17767 12151 1 18 . 1 1 67 67 GLU HA H 67 4.070 4.070 4.293 -0.223 17767 12152 1 18 . 1 1 67 67 GLU C C 67 175.030 175.030 175.574 -0.544 17767 12153 1 18 . 1 1 67 67 GLU CA C 67 59.220 59.220 55.794 3.426 17767 12154 1 18 . 1 1 67 67 GLU CB C 67 30.400 30.400 30.303 0.097 17767 12155 1 18 . 1 1 67 67 GLU H H 67 8.940 8.940 8.669 0.271 17767 12156 1 18 . 1 1 68 68 ALA N N 68 130.940 130.940 130.050 0.890 17767 12157 1 18 . 1 1 68 68 ALA HA H 68 4.900 4.900 4.727 0.173 17767 12158 1 18 . 1 1 68 68 ALA C C 68 176.000 176.000 175.469 0.531 17767 12159 1 18 . 1 1 68 68 ALA CA C 68 51.000 51.000 50.817 0.183 17767 12160 1 18 . 1 1 68 68 ALA CB C 68 22.440 22.440 21.847 0.593 17767 12161 1 18 . 1 1 68 68 ALA H H 68 8.660 8.660 8.041 0.619 17767 12162 1 18 . 1 1 69 69 ASP N N 69 120.500 120.500 121.705 -1.205 17767 12163 1 18 . 1 1 69 69 ASP HA H 69 5.000 5.000 4.639 0.361 17767 12164 1 18 . 1 1 69 69 ASP C C 69 174.400 174.400 176.348 -1.948 17767 12165 1 18 . 1 1 69 69 ASP CA C 69 54.670 54.670 54.367 0.303 17767 12166 1 18 . 1 1 69 69 ASP CB C 69 41.930 41.930 41.040 0.890 17767 12167 1 18 . 1 1 69 69 ASP H H 69 8.330 8.330 8.570 -0.240 17767 12168 1 18 . 1 1 70 70 ILE N N 70 125.540 125.540 123.373 2.167 17767 12169 1 18 . 1 1 70 70 ILE HA H 70 4.510 4.510 4.620 -0.110 17767 12170 1 18 . 1 1 70 70 ILE C C 70 175.300 175.300 174.344 0.956 17767 12171 1 18 . 1 1 70 70 ILE CA C 70 57.690 57.690 59.448 -1.758 17767 12172 1 18 . 1 1 70 70 ILE CB C 70 40.040 40.040 41.455 -1.415 17767 12173 1 18 . 1 1 70 70 ILE H H 70 8.850 8.850 8.156 0.694 17767 12174 1 18 . 1 1 71 71 THR N N 71 123.860 123.860 116.806 7.054 17767 12175 1 18 . 1 1 71 71 THR HA H 71 5.240 5.240 4.764 0.476 17767 12176 1 18 . 1 1 71 71 THR C C 71 174.600 174.600 173.928 0.672 17767 12177 1 18 . 1 1 71 71 THR CA C 71 61.610 61.610 61.179 0.431 17767 12178 1 18 . 1 1 71 71 THR CB C 71 70.370 70.370 71.005 -0.635 17767 12179 1 18 . 1 1 71 71 THR H H 71 9.460 9.460 8.871 0.589 17767 12180 1 18 . 1 1 72 72 THR N N 72 115.980 115.980 118.583 -2.603 17767 12181 1 18 . 1 1 72 72 THR HA H 72 4.550 4.550 4.527 0.023 17767 12182 1 18 . 1 1 72 72 THR C C 72 177.300 177.300 176.937 0.363 17767 12183 1 18 . 1 1 72 72 THR CA C 72 60.550 60.550 60.343 0.207 17767 12184 1 18 . 1 1 72 72 THR CB C 72 70.710 70.710 70.324 0.386 17767 12185 1 18 . 1 1 72 72 THR H H 72 8.700 8.700 8.176 0.524 17767 12186 1 18 . 1 1 73 73 MET N N 73 119.830 119.830 120.114 -0.284 17767 12187 1 18 . 1 1 73 73 MET HA H 73 4.110 4.110 4.614 -0.504 17767 12188 1 18 . 1 1 73 73 MET C C 73 176.200 176.200 175.448 0.752 17767 12189 1 18 . 1 1 73 73 MET CA C 73 58.900 58.900 57.509 1.391 17767 12190 1 18 . 1 1 73 73 MET CB C 73 34.760 34.760 32.133 2.627 17767 12191 1 18 . 1 1 73 73 MET H H 73 10.360 10.360 8.588 1.772 17767 12192 1 18 . 1 1 74 74 ASP N N 74 112.220 112.220 120.515 -8.295 17767 12193 1 18 . 1 1 74 74 ASP HA H 74 4.800 4.800 4.586 0.214 17767 12194 1 18 . 1 1 74 74 ASP C C 74 175.600 175.600 177.107 -1.507 17767 12195 1 18 . 1 1 74 74 ASP CA C 74 52.630 52.630 54.858 -2.228 17767 12196 1 18 . 1 1 74 74 ASP CB C 74 38.870 38.870 40.978 -2.108 17767 12197 1 18 . 1 1 74 74 ASP H H 74 8.680 8.680 7.758 0.922 17767 12198 1 18 . 1 1 75 75 GLY N N 75 108.040 108.040 106.499 1.541 17767 12199 1 18 . 1 1 75 75 GLY C C 75 175.000 175.000 173.850 1.150 17767 12200 1 18 . 1 1 75 75 GLY CA C 75 46.400 46.400 45.011 1.389 17767 12201 1 18 . 1 1 75 75 GLY H H 75 7.600 7.600 7.556 0.044 17767 12202 1 18 . 1 1 76 76 LYS N N 76 120.500 120.500 120.245 0.255 17767 12203 1 18 . 1 1 76 76 LYS HA H 76 4.440 4.440 4.542 -0.102 17767 12204 1 18 . 1 1 76 76 LYS C C 76 175.400 175.400 175.773 -0.373 17767 12205 1 18 . 1 1 76 76 LYS CA C 76 55.240 55.240 54.603 0.637 17767 12206 1 18 . 1 1 76 76 LYS CB C 76 33.500 33.500 34.217 -0.717 17767 12207 1 18 . 1 1 76 76 LYS H H 76 8.260 8.260 7.796 0.464 17767 12208 1 18 . 1 1 77 77 LYS N N 77 119.300 119.300 124.399 -5.099 17767 12209 1 18 . 1 1 77 77 LYS HA H 77 5.370 5.370 4.478 0.892 17767 12210 1 18 . 1 1 77 77 LYS C C 77 176.100 176.100 176.085 0.015 17767 12211 1 18 . 1 1 77 77 LYS CA C 77 54.360 54.360 55.662 -1.302 17767 12212 1 18 . 1 1 77 77 LYS CB C 77 32.840 32.840 31.900 0.940 17767 12213 1 18 . 1 1 77 77 LYS H H 77 8.130 8.130 8.567 -0.437 17767 12214 1 18 . 1 1 78 78 LEU N N 78 123.860 123.860 125.801 -1.941 17767 12215 1 18 . 1 1 78 78 LEU HA H 78 4.910 4.910 4.801 0.109 17767 12216 1 18 . 1 1 78 78 LEU C C 78 175.600 175.600 175.000 0.600 17767 12217 1 18 . 1 1 78 78 LEU CA C 78 53.170 53.170 53.998 -0.828 17767 12218 1 18 . 1 1 78 78 LEU CB C 78 45.780 45.780 46.253 -0.473 17767 12219 1 18 . 1 1 78 78 LEU H H 78 9.028 9.028 7.909 1.119 17767 12220 1 18 . 1 1 79 79 LYS N N 79 119.280 119.280 121.061 -1.781 17767 12221 1 18 . 1 1 79 79 LYS HA H 79 5.615 5.615 4.836 0.779 17767 12222 1 18 . 1 1 79 79 LYS C C 79 176.600 176.600 175.599 1.001 17767 12223 1 18 . 1 1 79 79 LYS CA C 79 55.000 55.000 55.503 -0.503 17767 12224 1 18 . 1 1 79 79 LYS CB C 79 36.850 36.850 33.578 3.272 17767 12225 1 18 . 1 1 79 79 LYS H H 79 8.240 8.240 8.225 0.015 17767 12226 1 18 . 1 1 80 80 CYS N N 80 115.980 115.980 126.600 -10.620 17767 12227 1 18 . 1 1 80 80 CYS HA H 80 4.700 4.700 4.697 0.003 17767 12228 1 18 . 1 1 80 80 CYS C C 80 173.500 173.500 175.434 -1.934 17767 12229 1 18 . 1 1 80 80 CYS CA C 80 56.500 56.500 58.128 -1.628 17767 12230 1 18 . 1 1 80 80 CYS CB C 80 45.700 45.700 26.444 19.256 17767 12231 1 18 . 1 1 80 80 CYS H H 80 8.306 8.306 8.555 -0.249 17767 12232 1 18 . 1 1 81 81 THR N N 81 122.000 122.000 127.124 -5.124 17767 12233 1 18 . 1 1 81 81 THR HA H 81 4.303 4.303 4.226 0.077 17767 12234 1 18 . 1 1 81 81 THR C C 81 173.100 173.100 173.783 -0.683 17767 12235 1 18 . 1 1 81 81 THR CA C 81 62.460 62.460 62.182 0.278 17767 12236 1 18 . 1 1 81 81 THR CB C 81 68.200 68.200 68.136 0.064 17767 12237 1 18 . 1 1 81 81 THR H H 81 8.840 8.840 8.552 0.288 17767 12238 1 18 . 1 1 82 82 VAL N N 82 132.160 132.160 126.476 5.684 17767 12239 1 18 . 1 1 82 82 VAL HA H 82 4.449 4.449 4.645 -0.196 17767 12240 1 18 . 1 1 82 82 VAL C C 82 175.100 175.100 175.286 -0.186 17767 12241 1 18 . 1 1 82 82 VAL CA C 82 61.760 61.760 61.938 -0.178 17767 12242 1 18 . 1 1 82 82 VAL CB C 82 31.200 31.200 32.140 -0.940 17767 12243 1 18 . 1 1 82 82 VAL H H 82 9.520 9.520 7.848 1.672 17767 12244 1 18 . 1 1 83 83 HIS N N 83 123.860 123.860 120.792 3.068 17767 12245 1 18 . 1 1 83 83 HIS HA H 83 5.009 5.009 4.819 0.190 17767 12246 1 18 . 1 1 83 83 HIS C C 83 173.500 173.500 172.533 0.967 17767 12247 1 18 . 1 1 83 83 HIS CA C 83 55.300 55.300 54.460 0.840 17767 12248 1 18 . 1 1 83 83 HIS CB C 83 33.400 33.400 32.480 0.920 17767 12249 1 18 . 1 1 83 83 HIS H H 83 8.740 8.740 8.939 -0.199 17767 12250 1 18 . 1 1 84 84 LEU N N 84 121.600 121.600 124.618 -3.018 17767 12251 1 18 . 1 1 84 84 LEU HA H 84 5.420 5.420 4.920 0.500 17767 12252 1 18 . 1 1 84 84 LEU C C 84 176.500 176.500 175.686 0.814 17767 12253 1 18 . 1 1 84 84 LEU CA C 84 53.790 53.790 53.983 -0.193 17767 12254 1 18 . 1 1 84 84 LEU CB C 84 44.740 44.740 43.119 1.621 17767 12255 1 18 . 1 1 84 84 LEU H H 84 8.850 8.850 8.461 0.389 17767 12256 1 18 . 1 1 85 85 ALA N N 85 128.800 128.800 131.010 -2.210 17767 12257 1 18 . 1 1 85 85 ALA HA H 85 4.750 4.750 4.712 0.038 17767 12258 1 18 . 1 1 85 85 ALA C C 85 177.000 177.000 176.625 0.375 17767 12259 1 18 . 1 1 85 85 ALA CA C 85 51.480 51.480 51.242 0.238 17767 12260 1 18 . 1 1 85 85 ALA CB C 85 20.910 20.910 20.875 0.035 17767 12261 1 18 . 1 1 85 85 ALA H H 85 9.230 9.230 9.114 0.116 17767 12262 1 18 . 1 1 86 86 ASN HA H 86 4.430 4.430 4.407 0.023 17767 12263 1 18 . 1 1 86 86 ASN C C 86 175.400 175.400 175.327 0.073 17767 12264 1 18 . 1 1 86 86 ASN CA C 86 54.140 54.140 53.860 0.280 17767 12265 1 18 . 1 1 86 86 ASN CB C 86 37.550 37.550 36.959 0.591 17767 12266 1 18 . 1 1 87 87 GLY N N 87 103.430 103.430 103.051 0.379 17767 12267 1 18 . 1 1 87 87 GLY C C 87 173.800 173.800 173.652 0.148 17767 12268 1 18 . 1 1 87 87 GLY CA C 87 45.670 45.670 45.194 0.476 17767 12269 1 18 . 1 1 87 87 GLY H H 87 8.620 8.620 8.486 0.134 17767 12270 1 18 . 1 1 88 88 LYS N N 88 120.490 120.490 121.152 -0.662 17767 12271 1 18 . 1 1 88 88 LYS HA H 88 5.120 5.120 4.754 0.366 17767 12272 1 18 . 1 1 88 88 LYS C C 88 175.500 175.500 174.816 0.684 17767 12273 1 18 . 1 1 88 88 LYS CA C 88 55.140 55.140 54.900 0.240 17767 12274 1 18 . 1 1 88 88 LYS CB C 88 34.610 34.610 34.345 0.265 17767 12275 1 18 . 1 1 88 88 LYS H H 88 7.880 7.880 7.742 0.138 17767 12276 1 18 . 1 1 89 89 LEU N N 89 124.420 124.420 125.947 -1.527 17767 12277 1 18 . 1 1 89 89 LEU HA H 89 4.730 4.730 4.450 0.280 17767 12278 1 18 . 1 1 89 89 LEU C C 89 176.700 176.700 175.374 1.326 17767 12279 1 18 . 1 1 89 89 LEU CA C 89 54.500 54.500 53.755 0.745 17767 12280 1 18 . 1 1 89 89 LEU CB C 89 44.150 44.150 42.041 2.109 17767 12281 1 18 . 1 1 89 89 LEU H H 89 8.780 8.780 8.611 0.169 17767 12282 1 18 . 1 1 90 90 VAL N N 90 122.500 122.500 123.977 -1.477 17767 12283 1 18 . 1 1 90 90 VAL HA H 90 5.420 5.420 4.422 0.998 17767 12284 1 18 . 1 1 90 90 VAL C C 90 175.200 175.200 173.581 1.619 17767 12285 1 18 . 1 1 90 90 VAL CA C 90 60.350 60.350 59.852 0.498 17767 12286 1 18 . 1 1 90 90 VAL CB C 90 35.930 35.930 34.792 1.138 17767 12287 1 18 . 1 1 90 90 VAL H H 90 9.050 9.050 8.562 0.488 17767 12288 1 18 . 1 1 91 91 CYS N N 91 123.100 123.100 126.330 -3.230 17767 12289 1 18 . 1 1 91 91 CYS HA H 91 5.370 5.370 5.156 0.214 17767 12290 1 18 . 1 1 91 91 CYS C C 91 172.700 172.700 173.587 -0.887 17767 12291 1 18 . 1 1 91 91 CYS CA C 91 55.230 55.230 57.434 -2.204 17767 12292 1 18 . 1 1 91 91 CYS CB C 91 42.970 42.970 27.871 15.099 17767 12293 1 18 . 1 1 91 91 CYS H H 91 8.820 8.820 8.707 0.113 17767 12294 1 18 . 1 1 92 92 LYS N N 92 128.900 128.900 128.920 -0.020 17767 12295 1 18 . 1 1 92 92 LYS HA H 92 5.000 5.000 4.580 0.420 17767 12296 1 18 . 1 1 92 92 LYS C C 92 174.270 174.270 175.285 -1.015 17767 12297 1 18 . 1 1 92 92 LYS CA C 92 55.360 55.360 55.599 -0.239 17767 12298 1 18 . 1 1 92 92 LYS CB C 92 35.960 35.960 34.569 1.391 17767 12299 1 18 . 1 1 92 92 LYS H H 92 9.450 9.450 8.534 0.916 17767 12300 1 18 . 1 1 93 93 SER N N 93 119.300 119.300 120.612 -1.312 17767 12301 1 18 . 1 1 93 93 SER HA H 93 4.710 4.710 4.839 -0.129 17767 12302 1 18 . 1 1 93 93 SER C C 93 174.200 174.200 174.524 -0.324 17767 12303 1 18 . 1 1 93 93 SER CA C 93 55.430 55.430 56.364 -0.934 17767 12304 1 18 . 1 1 93 93 SER CB C 93 66.460 66.460 65.422 1.038 17767 12305 1 18 . 1 1 93 93 SER H H 93 8.620 8.620 8.872 -0.252 17767 12306 1 18 . 1 1 94 94 GLU N N 94 119.900 119.900 119.522 0.378 17767 12307 1 18 . 1 1 94 94 GLU HA H 94 4.090 4.090 4.387 -0.297 17767 12308 1 18 . 1 1 94 94 GLU C C 94 177.600 177.600 175.728 1.872 17767 12309 1 18 . 1 1 94 94 GLU CA C 94 59.440 59.440 57.072 2.368 17767 12310 1 18 . 1 1 94 94 GLU CB C 94 29.360 29.360 29.189 0.171 17767 12311 1 18 . 1 1 94 94 GLU H H 94 8.670 8.670 8.514 0.156 17767 12312 1 18 . 1 1 95 95 LYS N N 95 113.500 113.500 117.074 -3.574 17767 12313 1 18 . 1 1 95 95 LYS HA H 95 4.430 4.430 4.012 0.418 17767 12314 1 18 . 1 1 95 95 LYS C C 95 175.980 175.980 174.467 1.513 17767 12315 1 18 . 1 1 95 95 LYS CA C 95 56.180 56.180 56.443 -0.263 17767 12316 1 18 . 1 1 95 95 LYS CB C 95 35.220 35.220 33.144 2.076 17767 12317 1 18 . 1 1 95 95 LYS H H 95 8.300 8.300 7.601 0.699 17767 12318 1 18 . 1 1 96 96 PHE N N 96 113.270 113.270 115.474 -2.204 17767 12319 1 18 . 1 1 96 96 PHE HA H 96 5.860 5.860 4.732 1.128 17767 12320 1 18 . 1 1 96 96 PHE C C 96 173.900 173.900 174.180 -0.280 17767 12321 1 18 . 1 1 96 96 PHE CA C 96 55.890 55.890 55.487 0.403 17767 12322 1 18 . 1 1 96 96 PHE CB C 96 43.560 43.560 40.590 2.970 17767 12323 1 18 . 1 1 96 96 PHE H H 96 7.000 7.000 7.175 -0.175 17767 12324 1 18 . 1 1 97 97 SER N N 97 112.050 112.050 113.724 -1.674 17767 12325 1 18 . 1 1 97 97 SER HA H 97 5.220 5.220 4.733 0.487 17767 12326 1 18 . 1 1 97 97 SER C C 97 172.560 172.560 172.402 0.158 17767 12327 1 18 . 1 1 97 97 SER CA C 97 57.870 57.870 58.221 -0.351 17767 12328 1 18 . 1 1 97 97 SER CB C 97 65.990 65.990 64.697 1.293 17767 12329 1 18 . 1 1 97 97 SER H H 97 8.790 8.790 8.742 0.048 17767 12330 1 18 . 1 1 98 98 HIS N N 98 126.300 126.300 125.971 0.329 17767 12331 1 18 . 1 1 98 98 HIS HA H 98 5.190 5.190 5.204 -0.014 17767 12332 1 18 . 1 1 98 98 HIS C C 98 174.500 174.500 173.315 1.185 17767 12333 1 18 . 1 1 98 98 HIS CA C 98 56.260 56.260 54.535 1.725 17767 12334 1 18 . 1 1 98 98 HIS CB C 98 36.270 36.270 32.954 3.316 17767 12335 1 18 . 1 1 98 98 HIS H H 98 9.190 9.190 8.773 0.417 17767 12336 1 18 . 1 1 99 99 GLU N N 99 126.670 126.670 128.058 -1.388 17767 12337 1 18 . 1 1 99 99 GLU HA H 99 5.390 5.390 4.832 0.558 17767 12338 1 18 . 1 1 99 99 GLU C C 99 175.400 175.400 174.612 0.788 17767 12339 1 18 . 1 1 99 99 GLU CA C 99 55.000 55.000 55.331 -0.331 17767 12340 1 18 . 1 1 99 99 GLU CB C 99 34.000 34.000 32.573 1.427 17767 12341 1 18 . 1 1 99 99 GLU H H 99 8.350 8.350 8.990 -0.640 17767 12342 1 18 . 1 1 101 101 GLU N N 101 125.500 125.500 123.121 2.379 17767 12343 1 18 . 1 1 101 101 GLU HA H 101 5.160 5.160 4.653 0.507 17767 12344 1 18 . 1 1 101 101 GLU CA C 101 54.090 54.090 55.234 -1.144 17767 12345 1 18 . 1 1 101 101 GLU CB C 101 34.800 34.800 33.173 1.627 17767 12346 1 18 . 1 1 101 101 GLU H H 101 8.900 8.900 8.601 0.299 17767 12347 1 18 . 1 1 102 102 VAL N N 102 124.420 124.420 126.620 -2.200 17767 12348 1 18 . 1 1 102 102 VAL HA H 102 4.630 4.630 4.179 0.451 17767 12349 1 18 . 1 1 102 102 VAL C C 102 175.200 175.200 175.668 -0.468 17767 12350 1 18 . 1 1 102 102 VAL CA C 102 61.380 61.380 61.982 -0.602 17767 12351 1 18 . 1 1 102 102 VAL CB C 102 34.100 34.100 32.249 1.851 17767 12352 1 18 . 1 1 102 102 VAL H H 102 8.790 8.790 8.601 0.189 17767 12353 1 18 . 1 1 103 103 LYS N N 103 129.480 129.480 129.626 -0.146 17767 12354 1 18 . 1 1 103 103 LYS HA H 103 4.570 4.570 4.577 -0.007 17767 12355 1 18 . 1 1 103 103 LYS C C 103 176.500 176.500 176.802 -0.302 17767 12356 1 18 . 1 1 103 103 LYS CA C 103 55.340 55.340 55.069 0.271 17767 12357 1 18 . 1 1 103 103 LYS CB C 103 33.760 33.760 32.852 0.908 17767 12358 1 18 . 1 1 103 103 LYS H H 103 8.950 8.950 9.016 -0.066 17767 12359 1 18 . 1 1 104 104 GLY N N 104 116.700 116.700 116.884 -0.184 17767 12360 1 18 . 1 1 104 104 GLY C C 104 174.500 174.500 174.644 -0.144 17767 12361 1 18 . 1 1 104 104 GLY CA C 104 47.680 47.680 47.126 0.554 17767 12362 1 18 . 1 1 104 104 GLY H H 104 9.140 9.140 8.813 0.327 17767 12363 1 18 . 1 1 105 105 ASN N N 105 125.540 125.540 122.535 3.005 17767 12364 1 18 . 1 1 105 105 ASN HA H 105 5.000 5.000 4.908 0.092 17767 12365 1 18 . 1 1 105 105 ASN CA C 105 53.130 53.130 52.399 0.731 17767 12366 1 18 . 1 1 105 105 ASN CB C 105 39.060 39.060 39.338 -0.278 17767 12367 1 18 . 1 1 105 105 ASN H H 105 9.030 9.030 8.510 0.520 17767 12368 1 18 . 1 1 106 106 GLU N N 106 120.480 120.480 119.806 0.674 17767 12369 1 18 . 1 1 106 106 GLU HA H 106 5.550 5.550 5.137 0.413 17767 12370 1 18 . 1 1 106 106 GLU CA C 106 55.550 55.550 55.505 0.045 17767 12371 1 18 . 1 1 106 106 GLU CB C 106 33.160 33.160 34.247 -1.087 17767 12372 1 18 . 1 1 106 106 GLU H H 106 8.100 8.100 7.875 0.225 17767 12373 1 18 . 1 1 107 107 MET N N 107 124.080 124.080 124.487 -0.407 17767 12374 1 18 . 1 1 107 107 MET HA H 107 5.120 5.120 5.316 -0.196 17767 12375 1 18 . 1 1 107 107 MET CA C 107 53.700 53.700 53.847 -0.147 17767 12376 1 18 . 1 1 107 107 MET CB C 107 36.800 36.800 35.706 1.095 17767 12377 1 18 . 1 1 107 107 MET H H 107 8.930 8.930 9.103 -0.173 17767 12378 1 18 . 1 1 108 108 VAL N N 108 126.820 126.820 122.336 4.484 17767 12379 1 18 . 1 1 108 108 VAL HA H 108 5.250 5.250 4.648 0.602 17767 12380 1 18 . 1 1 108 108 VAL CA C 108 61.340 61.340 60.274 1.066 17767 12381 1 18 . 1 1 108 108 VAL CB C 108 34.900 34.900 32.954 1.946 17767 12382 1 18 . 1 1 108 108 VAL H H 108 9.017 9.017 9.012 0.005 17767 12383 1 18 . 1 1 109 109 GLU N N 109 128.300 128.300 125.736 2.564 17767 12384 1 18 . 1 1 109 109 GLU HA H 109 5.040 5.040 5.109 -0.069 17767 12385 1 18 . 1 1 109 109 GLU C C 109 174.410 174.410 175.151 -0.741 17767 12386 1 18 . 1 1 109 109 GLU CA C 109 54.440 54.440 54.286 0.154 17767 12387 1 18 . 1 1 109 109 GLU CB C 109 34.760 34.760 34.285 0.475 17767 12388 1 18 . 1 1 109 109 GLU H H 109 9.100 9.100 8.623 0.477 17767 12389 1 18 . 1 1 110 110 THR N N 110 120.760 120.760 118.767 1.993 17767 12390 1 18 . 1 1 110 110 THR HA H 110 4.850 4.850 4.633 0.217 17767 12391 1 18 . 1 1 110 110 THR C C 110 174.900 174.900 173.046 1.854 17767 12392 1 18 . 1 1 110 110 THR CA C 110 61.980 61.980 62.149 -0.169 17767 12393 1 18 . 1 1 110 110 THR CB C 110 69.520 69.520 70.039 -0.519 17767 12394 1 18 . 1 1 110 110 THR H H 110 8.876 8.876 8.892 -0.016 17767 12395 1 18 . 1 1 111 111 ILE N N 111 131.030 131.030 127.042 3.988 17767 12396 1 18 . 1 1 111 111 ILE HA H 111 5.240 5.240 4.416 0.824 17767 12397 1 18 . 1 1 111 111 ILE C C 111 174.600 174.600 174.547 0.053 17767 12398 1 18 . 1 1 111 111 ILE CA C 111 60.310 60.310 59.314 0.996 17767 12399 1 18 . 1 1 111 111 ILE CB C 111 41.220 41.220 40.660 0.560 17767 12400 1 18 . 1 1 111 111 ILE H H 111 9.490 9.490 8.104 1.386 17767 12401 1 18 . 1 1 112 112 THR N N 112 122.800 122.800 119.338 3.462 17767 12402 1 18 . 1 1 112 112 THR HA H 112 5.960 5.960 5.016 0.944 17767 12403 1 18 . 1 1 112 112 THR C C 112 174.370 174.370 173.334 1.036 17767 12404 1 18 . 1 1 112 112 THR CA C 112 61.180 61.180 61.899 -0.719 17767 12405 1 18 . 1 1 112 112 THR CB C 112 71.250 71.250 70.139 1.111 17767 12406 1 18 . 1 1 112 112 THR H H 112 9.490 9.490 8.163 1.327 17767 12407 1 18 . 1 1 113 113 PHE N N 113 124.980 124.980 125.406 -0.426 17767 12408 1 18 . 1 1 113 113 PHE HA H 113 4.820 4.820 4.736 0.084 17767 12409 1 18 . 1 1 113 113 PHE C C 113 175.700 175.700 175.841 -0.141 17767 12410 1 18 . 1 1 113 113 PHE CA C 113 58.800 58.800 57.798 1.002 17767 12411 1 18 . 1 1 113 113 PHE CB C 113 43.480 43.480 43.039 0.441 17767 12412 1 18 . 1 1 113 113 PHE H H 113 9.000 9.000 8.791 0.209 17767 12413 1 18 . 1 1 114 114 GLY N N 114 116.550 116.550 111.040 5.510 17767 12414 1 18 . 1 1 114 114 GLY C C 114 175.300 175.300 174.673 0.627 17767 12415 1 18 . 1 1 114 114 GLY CA C 114 46.840 46.840 45.855 0.985 17767 12416 1 18 . 1 1 114 114 GLY H H 114 8.410 8.410 9.159 -0.749 17767 12417 1 18 . 1 1 115 115 GLY N N 115 105.640 105.640 105.953 -0.313 17767 12418 1 18 . 1 1 115 115 GLY C C 115 174.200 174.200 173.926 0.274 17767 12419 1 18 . 1 1 115 115 GLY CA C 115 44.890 44.890 45.023 -0.133 17767 12420 1 18 . 1 1 115 115 GLY H H 115 8.560 8.560 8.171 0.389 17767 12421 1 18 . 1 1 116 116 VAL N N 116 123.600 123.600 121.628 1.972 17767 12422 1 18 . 1 1 116 116 VAL HA H 116 4.310 4.310 4.360 -0.050 17767 12423 1 18 . 1 1 116 116 VAL C C 116 174.640 174.640 174.769 -0.129 17767 12424 1 18 . 1 1 116 116 VAL CA C 116 62.250 62.250 61.014 1.236 17767 12425 1 18 . 1 1 116 116 VAL CB C 116 34.170 34.170 34.654 -0.484 17767 12426 1 18 . 1 1 116 116 VAL H H 116 8.164 8.164 7.740 0.424 17767 12427 1 18 . 1 1 117 117 THR N N 117 123.270 123.270 124.371 -1.101 17767 12428 1 18 . 1 1 117 117 THR HA H 117 5.250 5.250 4.694 0.556 17767 12429 1 18 . 1 1 117 117 THR C C 117 173.800 173.800 173.703 0.097 17767 12430 1 18 . 1 1 117 117 THR CA C 117 61.900 61.900 62.384 -0.484 17767 12431 1 18 . 1 1 117 117 THR CB C 117 70.450 70.450 68.791 1.659 17767 12432 1 18 . 1 1 117 117 THR H H 117 8.770 8.770 8.581 0.189 17767 12433 1 18 . 1 1 118 118 LEU N N 118 132.800 132.800 129.771 3.029 17767 12434 1 18 . 1 1 118 118 LEU HA H 118 4.880 4.880 4.520 0.360 17767 12435 1 18 . 1 1 118 118 LEU C C 118 175.200 175.200 174.632 0.568 17767 12436 1 18 . 1 1 118 118 LEU CA C 118 53.570 53.570 53.433 0.137 17767 12437 1 18 . 1 1 118 118 LEU CB C 118 44.730 44.730 42.196 2.534 17767 12438 1 18 . 1 1 118 118 LEU H H 118 9.700 9.700 8.097 1.603 17767 12439 1 18 . 1 1 119 119 ILE N N 119 124.980 124.980 128.604 -3.624 17767 12440 1 18 . 1 1 119 119 ILE HA H 119 5.240 5.240 4.278 0.962 17767 12441 1 18 . 1 1 119 119 ILE C C 119 175.900 175.900 175.322 0.578 17767 12442 1 18 . 1 1 119 119 ILE CA C 119 59.340 59.340 61.682 -2.342 17767 12443 1 18 . 1 1 119 119 ILE CB C 119 39.550 39.550 38.208 1.342 17767 12444 1 18 . 1 1 119 119 ILE H H 119 7.800 7.800 7.711 0.089 17767 12445 1 18 . 1 1 120 120 ARG N N 120 126.110 126.110 124.483 1.627 17767 12446 1 18 . 1 1 120 120 ARG HA H 120 5.040 5.040 4.792 0.248 17767 12447 1 18 . 1 1 120 120 ARG C C 120 175.300 175.300 174.266 1.034 17767 12448 1 18 . 1 1 120 120 ARG CA C 120 54.990 54.990 53.546 1.444 17767 12449 1 18 . 1 1 120 120 ARG CB C 120 34.760 34.760 33.719 1.041 17767 12450 1 18 . 1 1 120 120 ARG H H 120 9.400 9.400 8.728 0.672 17767 12451 1 18 . 1 1 121 121 ARG N N 121 126.600 126.600 119.605 6.995 17767 12452 1 18 . 1 1 121 121 ARG HA H 121 5.350 5.350 4.649 0.701 17767 12453 1 18 . 1 1 121 121 ARG C C 121 175.020 175.020 174.664 0.356 17767 12454 1 18 . 1 1 121 121 ARG CA C 121 55.250 55.250 55.536 -0.286 17767 12455 1 18 . 1 1 121 121 ARG CB C 121 31.830 31.830 32.980 -1.150 17767 12456 1 18 . 1 1 121 121 ARG H H 121 9.110 9.110 8.310 0.800 17767 12457 1 18 . 1 1 122 122 SER N N 122 118.200 118.200 117.921 0.279 17767 12458 1 18 . 1 1 122 122 SER HA H 122 5.730 5.730 5.747 -0.017 17767 12459 1 18 . 1 1 122 122 SER C C 122 173.010 173.010 173.271 -0.261 17767 12460 1 18 . 1 1 122 122 SER CA C 122 58.100 58.100 56.337 1.763 17767 12461 1 18 . 1 1 122 122 SER CB C 122 66.850 66.850 65.556 1.294 17767 12462 1 18 . 1 1 122 122 SER H H 122 9.290 9.290 9.108 0.182 17767 12463 1 18 . 1 1 123 123 LYS N N 123 120.480 120.480 123.812 -3.332 17767 12464 1 18 . 1 1 123 123 LYS HA H 123 5.780 5.780 5.133 0.647 17767 12465 1 18 . 1 1 123 123 LYS C C 123 175.600 175.600 175.494 0.106 17767 12466 1 18 . 1 1 123 123 LYS CA C 123 54.130 54.130 54.766 -0.636 17767 12467 1 18 . 1 1 123 123 LYS CB C 123 36.330 36.330 35.806 0.524 17767 12468 1 18 . 1 1 123 123 LYS H H 123 8.650 8.650 9.186 -0.536 17767 12469 1 18 . 1 1 124 124 ARG N N 124 124.980 124.980 125.420 -0.440 17767 12470 1 18 . 1 1 124 124 ARG HA H 124 3.940 3.940 4.986 -1.046 17767 12471 1 18 . 1 1 124 124 ARG C C 124 176.500 176.500 175.740 0.760 17767 12472 1 18 . 1 1 124 124 ARG CA C 124 56.900 56.900 55.839 1.062 17767 12473 1 18 . 1 1 124 124 ARG CB C 124 30.380 30.380 31.528 -1.148 17767 12474 1 18 . 1 1 124 124 ARG H H 124 8.200 8.200 8.903 -0.703 17767 12475 1 19 . 1 1 2 2 PHE HA H 2 4.460 4.460 4.717 -0.257 17767 12476 1 19 . 1 1 2 2 PHE C C 2 175.900 175.900 176.104 -0.204 17767 12477 1 19 . 1 1 2 2 PHE CA C 2 61.170 61.170 58.076 3.094 17767 12478 1 19 . 1 1 2 2 PHE CB C 2 40.690 40.690 39.783 0.906 17767 12479 1 19 . 1 1 3 3 SER N N 3 111.380 111.380 115.211 -3.831 17767 12480 1 19 . 1 1 3 3 SER HA H 3 4.420 4.420 4.563 -0.143 17767 12481 1 19 . 1 1 3 3 SER C C 3 174.700 174.700 175.070 -0.370 17767 12482 1 19 . 1 1 3 3 SER CA C 3 60.000 60.000 59.483 0.517 17767 12483 1 19 . 1 1 3 3 SER CB C 3 64.140 64.140 62.642 1.498 17767 12484 1 19 . 1 1 3 3 SER H H 3 7.968 7.968 8.105 -0.137 17767 12485 1 19 . 1 1 4 4 GLY N N 4 111.480 111.480 112.269 -0.789 17767 12486 1 19 . 1 1 4 4 GLY C C 4 171.800 171.800 171.414 0.386 17767 12487 1 19 . 1 1 4 4 GLY CA C 4 44.150 44.150 45.364 -1.214 17767 12488 1 19 . 1 1 4 4 GLY H H 4 9.080 9.080 8.724 0.356 17767 12489 1 19 . 1 1 5 5 THR N N 5 117.770 117.770 113.162 4.608 17767 12490 1 19 . 1 1 5 5 THR HA H 5 4.980 4.980 4.845 0.135 17767 12491 1 19 . 1 1 5 5 THR C C 5 173.190 173.190 172.982 0.208 17767 12492 1 19 . 1 1 5 5 THR CA C 5 62.930 62.930 60.155 2.775 17767 12493 1 19 . 1 1 5 5 THR CB C 5 69.310 69.310 70.608 -1.298 17767 12494 1 19 . 1 1 5 5 THR H H 5 8.270 8.270 7.708 0.562 17767 12495 1 19 . 1 1 6 6 TRP N N 6 127.500 127.500 126.312 1.188 17767 12496 1 19 . 1 1 6 6 TRP HA H 6 5.130 5.130 5.306 -0.176 17767 12497 1 19 . 1 1 6 6 TRP CA C 6 55.300 55.300 55.348 -0.048 17767 12498 1 19 . 1 1 6 6 TRP CB C 6 32.290 32.290 31.092 1.198 17767 12499 1 19 . 1 1 6 6 TRP H H 6 9.560 9.560 8.789 0.771 17767 12500 1 19 . 1 1 7 7 GLN HA H 7 4.970 4.970 4.687 0.283 17767 12501 1 19 . 1 1 7 7 GLN C C 7 175.900 175.900 175.846 0.054 17767 12502 1 19 . 1 1 7 7 GLN CA C 7 54.720 54.720 55.307 -0.587 17767 12503 1 19 . 1 1 7 7 GLN CB C 7 32.400 32.400 30.226 2.174 17767 12504 1 19 . 1 1 8 8 VAL N N 8 131.400 131.400 127.246 4.154 17767 12505 1 19 . 1 1 8 8 VAL HA H 8 4.450 4.450 4.211 0.239 17767 12506 1 19 . 1 1 8 8 VAL CA C 8 63.500 63.500 63.239 0.261 17767 12507 1 19 . 1 1 8 8 VAL CB C 8 32.300 32.300 32.782 -0.482 17767 12508 1 19 . 1 1 8 8 VAL H H 8 8.270 8.270 8.272 -0.002 17767 12509 1 19 . 1 1 9 9 TYR N N 9 123.300 123.300 121.880 1.420 17767 12510 1 19 . 1 1 9 9 TYR HA H 9 5.140 5.140 4.855 0.285 17767 12511 1 19 . 1 1 9 9 TYR C C 9 174.600 174.600 172.937 1.663 17767 12512 1 19 . 1 1 9 9 TYR CA C 9 56.600 56.600 55.975 0.625 17767 12513 1 19 . 1 1 9 9 TYR CB C 9 40.880 40.880 40.278 0.602 17767 12514 1 19 . 1 1 9 9 TYR H H 9 9.570 9.570 8.834 0.736 17767 12515 1 19 . 1 1 10 10 ALA N N 10 125.800 125.800 124.771 1.029 17767 12516 1 19 . 1 1 10 10 ALA HA H 10 4.680 4.680 4.422 0.258 17767 12517 1 19 . 1 1 10 10 ALA C C 10 175.200 175.200 175.243 -0.043 17767 12518 1 19 . 1 1 10 10 ALA CA C 10 51.780 51.780 52.140 -0.360 17767 12519 1 19 . 1 1 10 10 ALA CB C 10 22.070 22.070 21.126 0.944 17767 12520 1 19 . 1 1 10 10 ALA H H 10 7.330 7.330 8.157 -0.827 17767 12521 1 19 . 1 1 11 11 GLN N N 11 118.300 118.300 119.310 -1.010 17767 12522 1 19 . 1 1 11 11 GLN HA H 11 5.370 5.370 4.523 0.847 17767 12523 1 19 . 1 1 11 11 GLN C C 11 174.700 174.700 176.126 -1.426 17767 12524 1 19 . 1 1 11 11 GLN CA C 11 54.460 54.460 55.264 -0.804 17767 12525 1 19 . 1 1 11 11 GLN CB C 11 32.870 32.870 29.067 3.803 17767 12526 1 19 . 1 1 11 11 GLN H H 11 8.700 8.700 8.594 0.106 17767 12527 1 19 . 1 1 12 12 GLU N N 12 123.800 123.800 120.358 3.442 17767 12528 1 19 . 1 1 12 12 GLU HA H 12 4.600 4.600 4.372 0.228 17767 12529 1 19 . 1 1 12 12 GLU C C 12 175.700 175.700 177.627 -1.927 17767 12530 1 19 . 1 1 12 12 GLU CA C 12 55.300 55.300 55.582 -0.282 17767 12531 1 19 . 1 1 12 12 GLU CB C 12 31.760 31.760 30.420 1.340 17767 12532 1 19 . 1 1 12 12 GLU H H 12 9.130 9.130 8.352 0.778 17767 12533 1 19 . 1 1 13 13 ASN N N 13 117.550 117.550 120.797 -3.247 17767 12534 1 19 . 1 1 13 13 ASN HA H 13 4.790 4.790 4.728 0.062 17767 12535 1 19 . 1 1 13 13 ASN C C 13 175.600 175.600 175.207 0.393 17767 12536 1 19 . 1 1 13 13 ASN CA C 13 54.100 54.100 53.359 0.741 17767 12537 1 19 . 1 1 13 13 ASN CB C 13 37.100 37.100 36.950 0.150 17767 12538 1 19 . 1 1 13 13 ASN H H 13 9.130 9.130 8.967 0.163 17767 12539 1 19 . 1 1 14 14 TYR N N 14 118.280 118.280 123.687 -5.407 17767 12540 1 19 . 1 1 14 14 TYR HA H 14 4.360 4.360 4.146 0.214 17767 12541 1 19 . 1 1 14 14 TYR C C 14 176.500 176.500 176.482 0.018 17767 12542 1 19 . 1 1 14 14 TYR CA C 14 60.590 60.590 62.891 -2.301 17767 12543 1 19 . 1 1 14 14 TYR CB C 14 39.450 39.450 38.971 0.479 17767 12544 1 19 . 1 1 14 14 TYR H H 14 7.900 7.900 8.561 -0.661 17767 12545 1 19 . 1 1 15 15 GLU N N 15 118.600 118.600 118.041 0.559 17767 12546 1 19 . 1 1 15 15 GLU HA H 15 3.550 3.550 4.024 -0.474 17767 12547 1 19 . 1 1 15 15 GLU C C 15 178.500 178.500 178.408 0.092 17767 12548 1 19 . 1 1 15 15 GLU CA C 15 61.170 61.170 59.512 1.658 17767 12549 1 19 . 1 1 15 15 GLU CB C 15 28.700 28.700 28.772 -0.072 17767 12550 1 19 . 1 1 15 15 GLU H H 15 8.960 8.960 9.068 -0.108 17767 12551 1 19 . 1 1 16 16 GLU N N 16 118.800 118.800 119.699 -0.899 17767 12552 1 19 . 1 1 16 16 GLU HA H 16 3.880 3.880 4.103 -0.223 17767 12553 1 19 . 1 1 16 16 GLU C C 16 178.600 178.600 177.956 0.644 17767 12554 1 19 . 1 1 16 16 GLU CA C 16 60.300 60.300 58.582 1.718 17767 12555 1 19 . 1 1 16 16 GLU CB C 16 28.600 28.600 29.537 -0.937 17767 12556 1 19 . 1 1 16 16 GLU H H 16 9.090 9.090 8.324 0.766 17767 12557 1 19 . 1 1 17 17 PHE N N 17 124.200 124.200 120.563 3.637 17767 12558 1 19 . 1 1 17 17 PHE HA H 17 3.960 3.960 4.189 -0.229 17767 12559 1 19 . 1 1 17 17 PHE C C 17 176.400 176.400 177.108 -0.708 17767 12560 1 19 . 1 1 17 17 PHE CA C 17 62.350 62.350 59.846 2.504 17767 12561 1 19 . 1 1 17 17 PHE CB C 17 40.380 40.380 38.940 1.440 17767 12562 1 19 . 1 1 17 17 PHE H H 17 8.410 8.410 7.863 0.547 17767 12563 1 19 . 1 1 18 18 LEU N N 18 116.400 116.400 117.865 -1.465 17767 12564 1 19 . 1 1 18 18 LEU HA H 18 3.780 3.780 3.557 0.223 17767 12565 1 19 . 1 1 18 18 LEU C C 18 178.800 178.800 178.549 0.251 17767 12566 1 19 . 1 1 18 18 LEU CA C 18 58.240 58.240 58.189 0.051 17767 12567 1 19 . 1 1 18 18 LEU CB C 18 41.220 41.220 41.039 0.181 17767 12568 1 19 . 1 1 18 18 LEU H H 18 8.200 8.200 7.671 0.529 17767 12569 1 19 . 1 1 19 19 LYS N N 19 116.590 116.590 116.292 0.298 17767 12570 1 19 . 1 1 19 19 LYS HA H 19 4.040 4.040 4.062 -0.022 17767 12571 1 19 . 1 1 19 19 LYS C C 19 179.800 179.800 178.689 1.111 17767 12572 1 19 . 1 1 19 19 LYS CA C 19 58.820 58.820 58.523 0.297 17767 12573 1 19 . 1 1 19 19 LYS CB C 19 32.150 32.150 31.758 0.392 17767 12574 1 19 . 1 1 19 19 LYS H H 19 7.790 7.790 7.858 -0.068 17767 12575 1 19 . 1 1 20 20 ALA N N 20 126.110 126.110 121.034 5.076 17767 12576 1 19 . 1 1 20 20 ALA HA H 20 4.160 4.160 4.253 -0.093 17767 12577 1 19 . 1 1 20 20 ALA C C 20 178.600 178.600 177.912 0.688 17767 12578 1 19 . 1 1 20 20 ALA CA C 20 55.300 55.300 53.631 1.669 17767 12579 1 19 . 1 1 20 20 ALA CB C 20 17.700 17.700 18.792 -1.092 17767 12580 1 19 . 1 1 20 20 ALA H H 20 7.990 7.990 7.293 0.697 17767 12581 1 19 . 1 1 21 21 LEU N N 21 117.110 117.110 116.913 0.197 17767 12582 1 19 . 1 1 21 21 LEU HA H 21 3.688 3.688 4.358 -0.670 17767 12583 1 19 . 1 1 21 21 LEU C C 21 176.100 176.100 175.988 0.112 17767 12584 1 19 . 1 1 21 21 LEU CA C 21 55.400 55.400 53.673 1.727 17767 12585 1 19 . 1 1 21 21 LEU CB C 21 42.700 42.700 41.560 1.140 17767 12586 1 19 . 1 1 21 21 LEU H H 21 7.380 7.380 7.039 0.341 17767 12587 1 19 . 1 1 22 22 ALA N N 22 118.800 118.800 119.469 -0.669 17767 12588 1 19 . 1 1 22 22 ALA HA H 22 3.985 3.985 3.950 0.035 17767 12589 1 19 . 1 1 22 22 ALA C C 22 177.000 177.000 176.914 0.086 17767 12590 1 19 . 1 1 22 22 ALA CA C 22 52.370 52.370 52.757 -0.387 17767 12591 1 19 . 1 1 22 22 ALA CB C 22 15.960 15.960 16.705 -0.745 17767 12592 1 19 . 1 1 22 22 ALA H H 22 7.920 7.920 7.273 0.647 17767 12593 1 19 . 1 1 23 23 LEU N N 23 118.470 118.470 118.877 -0.407 17767 12594 1 19 . 1 1 23 23 LEU HA H 23 4.425 4.425 4.472 -0.047 17767 12595 1 19 . 1 1 23 23 LEU C C 23 174.500 174.500 175.019 -0.519 17767 12596 1 19 . 1 1 23 23 LEU CA C 23 54.130 54.130 51.973 2.157 17767 12597 1 19 . 1 1 23 23 LEU CB C 23 41.220 41.220 42.284 -1.064 17767 12598 1 19 . 1 1 23 23 LEU H H 23 6.950 6.950 7.371 -0.421 17767 12599 1 19 . 1 1 24 24 PRO HA H 24 4.475 4.475 4.495 -0.020 17767 12600 1 19 . 1 1 24 24 PRO C C 24 177.500 177.500 177.431 0.069 17767 12601 1 19 . 1 1 24 24 PRO CA C 24 62.940 62.940 62.459 0.481 17767 12602 1 19 . 1 1 24 24 PRO CB C 24 32.600 32.600 32.435 0.165 17767 12603 1 19 . 1 1 25 25 GLU N N 25 122.500 122.500 123.279 -0.779 17767 12604 1 19 . 1 1 25 25 GLU HA H 25 3.860 3.860 3.946 -0.086 17767 12605 1 19 . 1 1 25 25 GLU C C 25 177.900 177.900 178.252 -0.352 17767 12606 1 19 . 1 1 25 25 GLU CA C 25 60.100 60.100 60.053 0.047 17767 12607 1 19 . 1 1 25 25 GLU CB C 25 29.690 29.690 29.353 0.337 17767 12608 1 19 . 1 1 25 25 GLU H H 25 8.840 8.840 8.962 -0.122 17767 12609 1 19 . 1 1 26 26 ASP N N 26 117.110 117.110 118.558 -1.448 17767 12610 1 19 . 1 1 26 26 ASP HA H 26 4.360 4.360 4.438 -0.078 17767 12611 1 19 . 1 1 26 26 ASP C C 26 177.900 177.900 178.240 -0.340 17767 12612 1 19 . 1 1 26 26 ASP CA C 26 57.080 57.080 56.759 0.321 17767 12613 1 19 . 1 1 26 26 ASP CB C 26 40.040 40.040 40.369 -0.329 17767 12614 1 19 . 1 1 26 26 ASP H H 26 8.920 8.920 8.626 0.294 17767 12615 1 19 . 1 1 27 27 LEU N N 27 121.990 121.990 121.112 0.878 17767 12616 1 19 . 1 1 27 27 LEU HA H 27 4.270 4.270 4.169 0.101 17767 12617 1 19 . 1 1 27 27 LEU C C 27 178.070 178.070 178.286 -0.216 17767 12618 1 19 . 1 1 27 27 LEU CA C 27 57.650 57.650 56.980 0.670 17767 12619 1 19 . 1 1 27 27 LEU CB C 27 42.230 42.230 42.336 -0.106 17767 12620 1 19 . 1 1 27 27 LEU H H 27 7.220 7.220 7.379 -0.159 17767 12621 1 19 . 1 1 28 28 ILE N N 28 120.350 120.350 118.503 1.847 17767 12622 1 19 . 1 1 28 28 ILE HA H 28 3.317 3.317 3.651 -0.334 17767 12623 1 19 . 1 1 28 28 ILE C C 28 177.400 177.400 177.713 -0.313 17767 12624 1 19 . 1 1 28 28 ILE CA C 28 67.040 67.040 65.279 1.761 17767 12625 1 19 . 1 1 28 28 ILE CB C 28 37.110 37.110 37.579 -0.469 17767 12626 1 19 . 1 1 28 28 ILE H H 28 7.900 7.900 8.092 -0.192 17767 12627 1 19 . 1 1 29 29 LYS N N 29 117.110 117.110 118.328 -1.218 17767 12628 1 19 . 1 1 29 29 LYS HA H 29 3.947 3.947 4.157 -0.210 17767 12629 1 19 . 1 1 29 29 LYS C C 29 178.900 178.900 177.261 1.639 17767 12630 1 19 . 1 1 29 29 LYS CA C 29 60.000 60.000 58.525 1.475 17767 12631 1 19 . 1 1 29 29 LYS CB C 29 32.390 32.390 32.359 0.031 17767 12632 1 19 . 1 1 29 29 LYS H H 29 7.850 7.850 7.419 0.431 17767 12633 1 19 . 1 1 30 30 MET N N 30 117.110 117.110 118.056 -0.946 17767 12634 1 19 . 1 1 30 30 MET HA H 30 4.320 4.320 4.425 -0.105 17767 12635 1 19 . 1 1 30 30 MET C C 30 177.500 177.500 177.976 -0.476 17767 12636 1 19 . 1 1 30 30 MET CA C 30 57.650 57.650 58.221 -0.571 17767 12637 1 19 . 1 1 30 30 MET CB C 30 32.970 32.970 33.337 -0.367 17767 12638 1 19 . 1 1 30 30 MET H H 30 7.450 7.450 7.681 -0.231 17767 12639 1 19 . 1 1 31 31 ALA N N 31 120.480 120.480 122.251 -1.771 17767 12640 1 19 . 1 1 31 31 ALA HA H 31 4.270 4.270 4.155 0.115 17767 12641 1 19 . 1 1 31 31 ALA CA C 31 53.545 53.545 55.118 -1.573 17767 12642 1 19 . 1 1 31 31 ALA CB C 31 19.290 19.290 18.478 0.812 17767 12643 1 19 . 1 1 31 31 ALA H H 31 8.420 8.420 8.563 -0.143 17767 12644 1 19 . 1 1 32 32 ARG N N 32 122.170 122.170 116.090 6.080 17767 12645 1 19 . 1 1 32 32 ARG HA H 32 4.109 4.109 3.945 0.164 17767 12646 1 19 . 1 1 32 32 ARG C C 32 176.500 176.500 177.106 -0.606 17767 12647 1 19 . 1 1 32 32 ARG CA C 32 61.170 61.170 58.493 2.677 17767 12648 1 19 . 1 1 32 32 ARG CB C 32 30.600 30.600 29.831 0.769 17767 12649 1 19 . 1 1 32 32 ARG H H 32 7.770 7.770 7.693 0.077 17767 12650 1 19 . 1 1 33 33 ASP N N 33 116.550 116.550 117.042 -0.492 17767 12651 1 19 . 1 1 33 33 ASP HA H 33 4.920 4.920 4.672 0.248 17767 12652 1 19 . 1 1 33 33 ASP C C 33 175.900 175.900 175.699 0.201 17767 12653 1 19 . 1 1 33 33 ASP CA C 33 54.130 54.130 53.487 0.643 17767 12654 1 19 . 1 1 33 33 ASP CB C 33 41.760 41.760 42.053 -0.293 17767 12655 1 19 . 1 1 33 33 ASP H H 33 8.330 8.330 8.030 0.300 17767 12656 1 19 . 1 1 34 34 ILE N N 34 120.060 120.060 122.441 -2.381 17767 12657 1 19 . 1 1 34 34 ILE HA H 34 4.120 4.120 4.030 0.090 17767 12658 1 19 . 1 1 34 34 ILE C C 34 176.100 176.100 175.503 0.597 17767 12659 1 19 . 1 1 34 34 ILE CA C 34 61.170 61.170 61.736 -0.566 17767 12660 1 19 . 1 1 34 34 ILE CB C 34 37.860 37.860 37.484 0.376 17767 12661 1 19 . 1 1 34 34 ILE H H 34 7.240 7.240 7.415 -0.175 17767 12662 1 19 . 1 1 35 35 LYS N N 35 131.170 131.170 128.134 3.036 17767 12663 1 19 . 1 1 35 35 LYS HA H 35 4.700 4.700 4.868 -0.168 17767 12664 1 19 . 1 1 35 35 LYS C C 35 173.700 173.700 174.379 -0.679 17767 12665 1 19 . 1 1 35 35 LYS CA C 35 52.970 52.970 53.151 -0.181 17767 12666 1 19 . 1 1 35 35 LYS CB C 35 32.750 32.750 31.933 0.817 17767 12667 1 19 . 1 1 35 35 LYS H H 35 8.980 8.980 8.522 0.458 17767 12668 1 19 . 1 1 36 36 PRO HA H 36 4.510 4.510 4.523 -0.013 17767 12669 1 19 . 1 1 36 36 PRO CA C 36 63.523 63.523 62.463 1.060 17767 12670 1 19 . 1 1 36 36 PRO CB C 36 32.840 32.840 32.901 -0.061 17767 12671 1 19 . 1 1 37 37 ILE HA H 37 4.920 4.920 4.455 0.465 17767 12672 1 19 . 1 1 37 37 ILE C C 37 175.500 175.500 175.033 0.467 17767 12673 1 19 . 1 1 37 37 ILE CA C 37 60.588 60.588 59.420 1.168 17767 12674 1 19 . 1 1 37 37 ILE CB C 37 40.630 40.630 40.327 0.303 17767 12675 1 19 . 1 1 38 38 VAL N N 38 129.000 129.000 129.283 -0.283 17767 12676 1 19 . 1 1 38 38 VAL HA H 38 5.120 5.120 4.279 0.841 17767 12677 1 19 . 1 1 38 38 VAL C C 38 175.100 175.100 175.035 0.065 17767 12678 1 19 . 1 1 38 38 VAL CA C 38 61.176 61.176 61.885 -0.709 17767 12679 1 19 . 1 1 38 38 VAL CB C 38 34.850 34.850 31.939 2.911 17767 12680 1 19 . 1 1 38 38 VAL H H 38 9.540 9.540 9.106 0.434 17767 12681 1 19 . 1 1 39 39 GLU N N 39 128.350 128.350 128.878 -0.528 17767 12682 1 19 . 1 1 39 39 GLU HA H 39 5.440 5.440 4.665 0.775 17767 12683 1 19 . 1 1 39 39 GLU C C 39 176.000 176.000 174.833 1.167 17767 12684 1 19 . 1 1 39 39 GLU CA C 39 54.720 54.720 56.576 -1.856 17767 12685 1 19 . 1 1 39 39 GLU CB C 39 32.410 32.410 31.774 0.636 17767 12686 1 19 . 1 1 39 39 GLU H H 39 9.590 9.590 8.229 1.361 17767 12687 1 19 . 1 1 40 40 ILE N N 40 126.110 126.110 125.911 0.199 17767 12688 1 19 . 1 1 40 40 ILE HA H 40 5.050 5.050 5.145 -0.095 17767 12689 1 19 . 1 1 40 40 ILE C C 40 175.800 175.800 173.076 2.724 17767 12690 1 19 . 1 1 40 40 ILE CA C 40 61.330 61.330 59.257 2.073 17767 12691 1 19 . 1 1 40 40 ILE CB C 40 40.160 40.160 42.310 -2.150 17767 12692 1 19 . 1 1 40 40 ILE H H 40 9.630 9.630 8.634 0.996 17767 12693 1 19 . 1 1 41 41 GLN N N 41 128.360 128.360 126.944 1.416 17767 12694 1 19 . 1 1 41 41 GLN HA H 41 4.720 4.720 4.879 -0.159 17767 12695 1 19 . 1 1 41 41 GLN C C 41 173.900 173.900 173.249 0.651 17767 12696 1 19 . 1 1 41 41 GLN CA C 41 54.940 54.940 53.849 1.091 17767 12697 1 19 . 1 1 41 41 GLN CB C 41 31.820 31.820 31.959 -0.139 17767 12698 1 19 . 1 1 41 41 GLN H H 41 9.270 9.270 8.764 0.506 17767 12699 1 19 . 1 1 42 42 GLN N N 42 126.110 126.110 122.675 3.435 17767 12700 1 19 . 1 1 42 42 GLN HA H 42 4.380 4.380 4.436 -0.056 17767 12701 1 19 . 1 1 42 42 GLN C C 42 174.700 174.700 175.105 -0.405 17767 12702 1 19 . 1 1 42 42 GLN CA C 42 54.150 54.150 54.536 -0.386 17767 12703 1 19 . 1 1 42 42 GLN CB C 42 30.000 30.000 30.928 -0.928 17767 12704 1 19 . 1 1 42 42 GLN H H 42 8.250 8.250 8.445 -0.195 17767 12705 1 19 . 1 1 43 43 LYS N N 43 130.610 130.610 125.303 5.307 17767 12706 1 19 . 1 1 43 43 LYS HA H 43 4.460 4.460 4.474 -0.014 17767 12707 1 19 . 1 1 43 43 LYS C C 43 176.030 176.030 176.026 0.004 17767 12708 1 19 . 1 1 43 43 LYS CA C 43 55.306 55.306 55.855 -0.549 17767 12709 1 19 . 1 1 43 43 LYS CB C 43 33.270 33.270 33.465 -0.195 17767 12710 1 19 . 1 1 43 43 LYS H H 43 8.820 8.820 8.437 0.383 17767 12711 1 19 . 1 1 44 44 GLY N N 44 117.110 117.110 113.226 3.884 17767 12712 1 19 . 1 1 44 44 GLY C C 44 174.300 174.300 174.418 -0.118 17767 12713 1 19 . 1 1 44 44 GLY CA C 44 47.480 47.480 46.749 0.731 17767 12714 1 19 . 1 1 44 44 GLY H H 44 8.940 8.940 8.656 0.284 17767 12715 1 19 . 1 1 45 45 ASP N N 45 127.799 127.799 123.899 3.900 17767 12716 1 19 . 1 1 45 45 ASP HA H 45 4.870 4.870 5.054 -0.184 17767 12717 1 19 . 1 1 45 45 ASP C C 45 174.700 174.700 174.745 -0.045 17767 12718 1 19 . 1 1 45 45 ASP CA C 45 54.719 54.719 54.240 0.479 17767 12719 1 19 . 1 1 45 45 ASP CB C 45 41.270 41.270 43.087 -1.817 17767 12720 1 19 . 1 1 45 45 ASP H H 45 8.870 8.870 8.168 0.702 17767 12721 1 19 . 1 1 46 46 ASP N N 46 120.480 120.480 121.689 -1.209 17767 12722 1 19 . 1 1 46 46 ASP HA H 46 5.230 5.230 5.749 -0.519 17767 12723 1 19 . 1 1 46 46 ASP C C 46 175.070 175.070 174.475 0.595 17767 12724 1 19 . 1 1 46 46 ASP CA C 46 54.132 54.132 54.548 -0.416 17767 12725 1 19 . 1 1 46 46 ASP CB C 46 41.570 41.570 43.428 -1.857 17767 12726 1 19 . 1 1 46 46 ASP H H 46 8.060 8.060 7.622 0.438 17767 12727 1 19 . 1 1 47 47 PHE N N 47 122.730 122.730 121.177 1.553 17767 12728 1 19 . 1 1 47 47 PHE HA H 47 5.090 5.090 5.084 0.006 17767 12729 1 19 . 1 1 47 47 PHE C C 47 176.400 176.400 174.589 1.811 17767 12730 1 19 . 1 1 47 47 PHE CA C 47 56.420 56.420 55.805 0.615 17767 12731 1 19 . 1 1 47 47 PHE CB C 47 44.150 44.150 42.586 1.564 17767 12732 1 19 . 1 1 47 47 PHE H H 47 9.296 9.296 9.079 0.217 17767 12733 1 19 . 1 1 48 48 VAL N N 48 121.690 121.690 121.743 -0.053 17767 12734 1 19 . 1 1 48 48 VAL HA H 48 4.500 4.500 4.519 -0.019 17767 12735 1 19 . 1 1 48 48 VAL C C 48 175.700 175.700 174.889 0.811 17767 12736 1 19 . 1 1 48 48 VAL CA C 48 62.930 62.930 61.185 1.745 17767 12737 1 19 . 1 1 48 48 VAL CB C 48 34.670 34.670 32.515 2.155 17767 12738 1 19 . 1 1 48 48 VAL H H 48 8.520 8.520 9.165 -0.645 17767 12739 1 19 . 1 1 49 49 VAL N N 49 127.200 127.200 129.905 -2.705 17767 12740 1 19 . 1 1 49 49 VAL HA H 49 5.250 5.250 4.655 0.595 17767 12741 1 19 . 1 1 49 49 VAL C C 49 175.700 175.700 175.508 0.192 17767 12742 1 19 . 1 1 49 49 VAL CA C 49 61.180 61.180 61.778 -0.598 17767 12743 1 19 . 1 1 49 49 VAL CB C 49 34.660 34.660 32.698 1.962 17767 12744 1 19 . 1 1 49 49 VAL H H 49 9.330 9.330 9.296 0.034 17767 12745 1 19 . 1 1 50 50 THR N N 50 128.500 128.500 126.173 2.327 17767 12746 1 19 . 1 1 50 50 THR HA H 50 5.430 5.430 4.893 0.537 17767 12747 1 19 . 1 1 50 50 THR C C 50 173.810 173.810 173.797 0.013 17767 12748 1 19 . 1 1 50 50 THR CA C 50 61.530 61.530 61.931 -0.401 17767 12749 1 19 . 1 1 50 50 THR CB C 50 70.760 70.760 69.223 1.537 17767 12750 1 19 . 1 1 50 50 THR H H 50 9.730 9.730 9.460 0.270 17767 12751 1 19 . 1 1 51 51 SER N N 51 122.730 122.730 123.986 -1.256 17767 12752 1 19 . 1 1 51 51 SER HA H 51 5.430 5.430 4.803 0.627 17767 12753 1 19 . 1 1 51 51 SER C C 51 173.800 173.800 173.753 0.047 17767 12754 1 19 . 1 1 51 51 SER CA C 51 57.060 57.060 56.963 0.097 17767 12755 1 19 . 1 1 51 51 SER CB C 51 64.550 64.550 62.712 1.838 17767 12756 1 19 . 1 1 51 51 SER H H 51 9.190 9.190 9.090 0.100 17767 12757 1 19 . 1 1 52 52 LYS N N 52 125.550 125.550 128.571 -3.021 17767 12758 1 19 . 1 1 52 52 LYS HA H 52 5.310 5.310 4.420 0.890 17767 12759 1 19 . 1 1 52 52 LYS C C 52 175.900 175.900 175.991 -0.091 17767 12760 1 19 . 1 1 52 52 LYS CA C 52 56.120 56.120 56.109 0.011 17767 12761 1 19 . 1 1 52 52 LYS CB C 52 36.130 36.130 33.155 2.975 17767 12762 1 19 . 1 1 52 52 LYS H H 52 9.490 9.490 8.247 1.243 17767 12763 1 19 . 1 1 53 53 THR N N 53 115.980 115.980 115.982 -0.002 17767 12764 1 19 . 1 1 53 53 THR HA H 53 5.024 5.024 4.767 0.257 17767 12765 1 19 . 1 1 53 53 THR C C 53 173.400 173.400 173.172 0.228 17767 12766 1 19 . 1 1 53 53 THR CA C 53 59.140 59.140 58.605 0.535 17767 12767 1 19 . 1 1 53 53 THR CB C 53 69.300 69.300 70.230 -0.930 17767 12768 1 19 . 1 1 53 53 THR H H 53 8.760 8.760 7.868 0.892 17767 12769 1 19 . 1 1 54 54 PRO HA H 54 4.350 4.350 4.595 -0.245 17767 12770 1 19 . 1 1 54 54 PRO C C 54 177.200 177.200 176.285 0.915 17767 12771 1 19 . 1 1 54 54 PRO CA C 54 66.458 66.458 63.469 2.989 17767 12772 1 19 . 1 1 54 54 PRO CB C 54 32.400 32.400 31.346 1.054 17767 12773 1 19 . 1 1 55 55 ARG N N 55 111.480 111.480 115.697 -4.217 17767 12774 1 19 . 1 1 55 55 ARG HA H 55 4.510 4.510 4.523 -0.013 17767 12775 1 19 . 1 1 55 55 ARG C C 55 175.800 175.800 176.400 -0.600 17767 12776 1 19 . 1 1 55 55 ARG CA C 55 55.893 55.893 55.935 -0.042 17767 12777 1 19 . 1 1 55 55 ARG CB C 55 32.520 32.520 31.879 0.641 17767 12778 1 19 . 1 1 55 55 ARG H H 55 8.010 8.010 7.539 0.471 17767 12779 1 19 . 1 1 56 56 GLN N N 56 118.230 118.230 120.956 -2.726 17767 12780 1 19 . 1 1 56 56 GLN HA H 56 4.830 4.830 4.545 0.285 17767 12781 1 19 . 1 1 56 56 GLN C C 56 174.200 174.200 174.186 0.014 17767 12782 1 19 . 1 1 56 56 GLN CA C 56 55.610 55.610 55.419 0.191 17767 12783 1 19 . 1 1 56 56 GLN CB C 56 32.880 32.880 32.262 0.618 17767 12784 1 19 . 1 1 56 56 GLN H H 56 7.530 7.530 8.443 -0.913 17767 12785 1 19 . 1 1 57 57 THR N N 57 120.480 120.480 122.825 -2.345 17767 12786 1 19 . 1 1 57 57 THR HA H 57 5.330 5.330 4.707 0.623 17767 12787 1 19 . 1 1 57 57 THR C C 57 174.000 174.000 174.657 -0.657 17767 12788 1 19 . 1 1 57 57 THR CA C 57 61.760 61.760 63.408 -1.648 17767 12789 1 19 . 1 1 57 57 THR CB C 57 71.500 71.500 69.389 2.111 17767 12790 1 19 . 1 1 57 57 THR H H 57 8.610 8.610 8.605 0.005 17767 12791 1 19 . 1 1 58 58 VAL N N 58 125.200 125.200 128.436 -3.236 17767 12792 1 19 . 1 1 58 58 VAL HA H 58 4.540 4.540 4.337 0.203 17767 12793 1 19 . 1 1 58 58 VAL C C 58 174.400 174.400 174.853 -0.453 17767 12794 1 19 . 1 1 58 58 VAL CA C 58 61.170 61.170 61.819 -0.649 17767 12795 1 19 . 1 1 58 58 VAL CB C 58 35.560 35.560 33.908 1.651 17767 12796 1 19 . 1 1 58 58 VAL H H 58 8.830 8.830 9.043 -0.213 17767 12797 1 19 . 1 1 59 59 THR N N 59 125.500 125.500 123.511 1.989 17767 12798 1 19 . 1 1 59 59 THR HA H 59 5.260 5.260 4.911 0.349 17767 12799 1 19 . 1 1 59 59 THR C C 59 173.400 173.400 173.706 -0.306 17767 12800 1 19 . 1 1 59 59 THR CA C 59 61.980 61.980 61.366 0.614 17767 12801 1 19 . 1 1 59 59 THR CB C 59 71.150 71.150 69.605 1.545 17767 12802 1 19 . 1 1 59 59 THR H H 59 8.870 8.870 8.598 0.272 17767 12803 1 19 . 1 1 60 60 ASN N N 60 124.700 124.700 126.432 -1.732 17767 12804 1 19 . 1 1 60 60 ASN HA H 60 5.270 5.270 5.082 0.188 17767 12805 1 19 . 1 1 60 60 ASN C C 60 173.300 173.300 173.642 -0.342 17767 12806 1 19 . 1 1 60 60 ASN CA C 60 53.000 53.000 52.891 0.109 17767 12807 1 19 . 1 1 60 60 ASN CB C 60 44.700 44.700 42.179 2.521 17767 12808 1 19 . 1 1 60 60 ASN H H 60 9.180 9.180 9.150 0.030 17767 12809 1 19 . 1 1 61 61 SER N N 61 115.980 115.980 118.109 -2.129 17767 12810 1 19 . 1 1 61 61 SER HA H 61 5.430 5.430 5.480 -0.050 17767 12811 1 19 . 1 1 61 61 SER C C 61 173.300 173.300 173.156 0.144 17767 12812 1 19 . 1 1 61 61 SER CA C 61 57.060 57.060 56.806 0.254 17767 12813 1 19 . 1 1 61 61 SER CB C 61 65.590 65.590 66.278 -0.689 17767 12814 1 19 . 1 1 61 61 SER H H 61 8.840 8.840 8.608 0.232 17767 12815 1 19 . 1 1 62 62 PHE N N 62 117.670 117.670 118.324 -0.654 17767 12816 1 19 . 1 1 62 62 PHE HA H 62 5.020 5.020 4.961 0.059 17767 12817 1 19 . 1 1 62 62 PHE C C 62 173.100 173.100 173.320 -0.220 17767 12818 1 19 . 1 1 62 62 PHE CA C 62 56.590 56.590 56.309 0.281 17767 12819 1 19 . 1 1 62 62 PHE CB C 62 40.030 40.030 40.389 -0.359 17767 12820 1 19 . 1 1 62 62 PHE H H 62 8.235 8.235 8.517 -0.282 17767 12821 1 19 . 1 1 63 63 THR N N 63 119.920 119.920 116.446 3.474 17767 12822 1 19 . 1 1 63 63 THR HA H 63 5.500 5.500 5.267 0.233 17767 12823 1 19 . 1 1 63 63 THR C C 63 175.600 175.600 174.605 0.995 17767 12824 1 19 . 1 1 63 63 THR CA C 63 61.170 61.170 61.224 -0.054 17767 12825 1 19 . 1 1 63 63 THR CB C 63 72.320 72.320 70.946 1.374 17767 12826 1 19 . 1 1 63 63 THR H H 63 9.650 9.650 8.881 0.769 17767 12827 1 19 . 1 1 64 64 LEU N N 64 126.300 126.300 127.798 -1.498 17767 12828 1 19 . 1 1 64 64 LEU HA H 64 4.430 4.430 3.997 0.433 17767 12829 1 19 . 1 1 64 64 LEU C C 64 178.000 178.000 178.465 -0.465 17767 12830 1 19 . 1 1 64 64 LEU CA C 64 56.100 56.100 56.354 -0.254 17767 12831 1 19 . 1 1 64 64 LEU CB C 64 41.330 41.330 40.880 0.450 17767 12832 1 19 . 1 1 64 64 LEU H H 64 9.280 9.280 9.233 0.047 17767 12833 1 19 . 1 1 65 65 GLY N N 65 107.520 107.520 112.844 -5.324 17767 12834 1 19 . 1 1 65 65 GLY C C 65 173.800 173.800 173.445 0.355 17767 12835 1 19 . 1 1 65 65 GLY CA C 65 45.780 45.780 44.941 0.839 17767 12836 1 19 . 1 1 65 65 GLY H H 65 9.110 9.110 9.119 -0.009 17767 12837 1 19 . 1 1 66 66 LYS N N 66 121.600 121.600 120.611 0.989 17767 12838 1 19 . 1 1 66 66 LYS HA H 66 4.780 4.780 4.580 0.200 17767 12839 1 19 . 1 1 66 66 LYS C C 66 175.600 175.600 175.377 0.223 17767 12840 1 19 . 1 1 66 66 LYS CA C 66 54.100 54.100 54.753 -0.653 17767 12841 1 19 . 1 1 66 66 LYS CB C 66 34.620 34.620 35.518 -0.898 17767 12842 1 19 . 1 1 66 66 LYS H H 66 7.910 7.910 7.866 0.044 17767 12843 1 19 . 1 1 67 67 GLU N N 67 129.400 129.400 124.783 4.617 17767 12844 1 19 . 1 1 67 67 GLU HA H 67 4.070 4.070 4.339 -0.269 17767 12845 1 19 . 1 1 67 67 GLU C C 67 175.030 175.030 175.565 -0.535 17767 12846 1 19 . 1 1 67 67 GLU CA C 67 59.220 59.220 56.697 2.523 17767 12847 1 19 . 1 1 67 67 GLU CB C 67 30.400 30.400 30.124 0.276 17767 12848 1 19 . 1 1 67 67 GLU H H 67 8.940 8.940 8.768 0.172 17767 12849 1 19 . 1 1 68 68 ALA N N 68 130.940 130.940 129.415 1.525 17767 12850 1 19 . 1 1 68 68 ALA HA H 68 4.900 4.900 4.690 0.210 17767 12851 1 19 . 1 1 68 68 ALA C C 68 176.000 176.000 175.425 0.575 17767 12852 1 19 . 1 1 68 68 ALA CA C 68 51.000 51.000 50.746 0.254 17767 12853 1 19 . 1 1 68 68 ALA CB C 68 22.440 22.440 22.816 -0.376 17767 12854 1 19 . 1 1 68 68 ALA H H 68 8.660 8.660 8.411 0.249 17767 12855 1 19 . 1 1 69 69 ASP N N 69 120.500 120.500 121.996 -1.496 17767 12856 1 19 . 1 1 69 69 ASP HA H 69 5.000 5.000 4.805 0.195 17767 12857 1 19 . 1 1 69 69 ASP C C 69 174.400 174.400 175.944 -1.544 17767 12858 1 19 . 1 1 69 69 ASP CA C 69 54.670 54.670 54.182 0.488 17767 12859 1 19 . 1 1 69 69 ASP CB C 69 41.930 41.930 41.375 0.555 17767 12860 1 19 . 1 1 69 69 ASP H H 69 8.330 8.330 8.597 -0.267 17767 12861 1 19 . 1 1 70 70 ILE N N 70 125.540 125.540 121.837 3.703 17767 12862 1 19 . 1 1 70 70 ILE HA H 70 4.510 4.510 4.715 -0.205 17767 12863 1 19 . 1 1 70 70 ILE C C 70 175.300 175.300 174.129 1.171 17767 12864 1 19 . 1 1 70 70 ILE CA C 70 57.690 57.690 59.558 -1.868 17767 12865 1 19 . 1 1 70 70 ILE CB C 70 40.040 40.040 41.135 -1.095 17767 12866 1 19 . 1 1 70 70 ILE H H 70 8.850 8.850 8.400 0.450 17767 12867 1 19 . 1 1 71 71 THR N N 71 123.860 123.860 119.389 4.471 17767 12868 1 19 . 1 1 71 71 THR HA H 71 5.240 5.240 4.725 0.515 17767 12869 1 19 . 1 1 71 71 THR C C 71 174.600 174.600 174.645 -0.045 17767 12870 1 19 . 1 1 71 71 THR CA C 71 61.610 61.610 61.714 -0.104 17767 12871 1 19 . 1 1 71 71 THR CB C 71 70.370 70.370 70.182 0.188 17767 12872 1 19 . 1 1 71 71 THR H H 71 9.460 9.460 8.491 0.969 17767 12873 1 19 . 1 1 72 72 THR N N 72 115.980 115.980 121.347 -5.367 17767 12874 1 19 . 1 1 72 72 THR HA H 72 4.550 4.550 4.437 0.113 17767 12875 1 19 . 1 1 72 72 THR C C 72 177.300 177.300 176.013 1.287 17767 12876 1 19 . 1 1 72 72 THR CA C 72 60.550 60.550 62.227 -1.677 17767 12877 1 19 . 1 1 72 72 THR CB C 72 70.710 70.710 69.748 0.962 17767 12878 1 19 . 1 1 72 72 THR H H 72 8.700 8.700 8.448 0.252 17767 12879 1 19 . 1 1 73 73 MET N N 73 119.830 119.830 124.530 -4.700 17767 12880 1 19 . 1 1 73 73 MET HA H 73 4.110 4.110 4.099 0.011 17767 12881 1 19 . 1 1 73 73 MET C C 73 176.200 176.200 175.911 0.289 17767 12882 1 19 . 1 1 73 73 MET CA C 73 58.900 58.900 58.228 0.672 17767 12883 1 19 . 1 1 73 73 MET CB C 73 34.760 34.760 32.433 2.327 17767 12884 1 19 . 1 1 73 73 MET H H 73 10.360 10.360 8.786 1.574 17767 12885 1 19 . 1 1 74 74 ASP N N 74 112.220 112.220 114.585 -2.365 17767 12886 1 19 . 1 1 74 74 ASP HA H 74 4.800 4.800 4.492 0.308 17767 12887 1 19 . 1 1 74 74 ASP C C 74 175.600 175.600 176.420 -0.820 17767 12888 1 19 . 1 1 74 74 ASP CA C 74 52.630 52.630 54.302 -1.672 17767 12889 1 19 . 1 1 74 74 ASP CB C 74 38.870 38.870 41.175 -2.304 17767 12890 1 19 . 1 1 74 74 ASP H H 74 8.680 8.680 8.029 0.651 17767 12891 1 19 . 1 1 75 75 GLY N N 75 108.040 108.040 108.204 -0.164 17767 12892 1 19 . 1 1 75 75 GLY C C 75 175.000 175.000 173.583 1.417 17767 12893 1 19 . 1 1 75 75 GLY CA C 75 46.400 46.400 44.815 1.585 17767 12894 1 19 . 1 1 75 75 GLY H H 75 7.600 7.600 7.660 -0.060 17767 12895 1 19 . 1 1 76 76 LYS N N 76 120.500 120.500 118.245 2.255 17767 12896 1 19 . 1 1 76 76 LYS HA H 76 4.440 4.440 4.651 -0.211 17767 12897 1 19 . 1 1 76 76 LYS C C 76 175.400 175.400 175.132 0.268 17767 12898 1 19 . 1 1 76 76 LYS CA C 76 55.240 55.240 54.296 0.944 17767 12899 1 19 . 1 1 76 76 LYS CB C 76 33.500 33.500 35.707 -2.207 17767 12900 1 19 . 1 1 76 76 LYS H H 76 8.260 8.260 7.836 0.424 17767 12901 1 19 . 1 1 77 77 LYS N N 77 119.300 119.300 121.834 -2.534 17767 12902 1 19 . 1 1 77 77 LYS HA H 77 5.370 5.370 4.716 0.654 17767 12903 1 19 . 1 1 77 77 LYS C C 77 176.100 176.100 175.844 0.256 17767 12904 1 19 . 1 1 77 77 LYS CA C 77 54.360 54.360 55.226 -0.866 17767 12905 1 19 . 1 1 77 77 LYS CB C 77 32.840 32.840 32.227 0.613 17767 12906 1 19 . 1 1 77 77 LYS H H 77 8.130 8.130 8.409 -0.279 17767 12907 1 19 . 1 1 78 78 LEU N N 78 123.860 123.860 125.589 -1.729 17767 12908 1 19 . 1 1 78 78 LEU HA H 78 4.910 4.910 4.806 0.104 17767 12909 1 19 . 1 1 78 78 LEU C C 78 175.600 175.600 175.412 0.188 17767 12910 1 19 . 1 1 78 78 LEU CA C 78 53.170 53.170 53.967 -0.797 17767 12911 1 19 . 1 1 78 78 LEU CB C 78 45.780 45.780 45.517 0.263 17767 12912 1 19 . 1 1 78 78 LEU H H 78 9.028 9.028 8.161 0.867 17767 12913 1 19 . 1 1 79 79 LYS N N 79 119.280 119.280 120.420 -1.140 17767 12914 1 19 . 1 1 79 79 LYS HA H 79 5.615 5.615 5.090 0.525 17767 12915 1 19 . 1 1 79 79 LYS C C 79 176.600 176.600 175.240 1.360 17767 12916 1 19 . 1 1 79 79 LYS CA C 79 55.000 55.000 55.064 -0.064 17767 12917 1 19 . 1 1 79 79 LYS CB C 79 36.850 36.850 33.885 2.965 17767 12918 1 19 . 1 1 79 79 LYS H H 79 8.240 8.240 8.287 -0.047 17767 12919 1 19 . 1 1 80 80 CYS N N 80 115.980 115.980 124.376 -8.396 17767 12920 1 19 . 1 1 80 80 CYS HA H 80 4.700 4.700 4.762 -0.062 17767 12921 1 19 . 1 1 80 80 CYS C C 80 173.500 173.500 173.913 -0.413 17767 12922 1 19 . 1 1 80 80 CYS CA C 80 56.500 56.500 57.408 -0.909 17767 12923 1 19 . 1 1 80 80 CYS CB C 80 45.700 45.700 29.723 15.977 17767 12924 1 19 . 1 1 80 80 CYS H H 80 8.306 8.306 8.578 -0.272 17767 12925 1 19 . 1 1 81 81 THR N N 81 122.000 122.000 125.407 -3.407 17767 12926 1 19 . 1 1 81 81 THR HA H 81 4.303 4.303 4.640 -0.337 17767 12927 1 19 . 1 1 81 81 THR C C 81 173.100 173.100 173.585 -0.485 17767 12928 1 19 . 1 1 81 81 THR CA C 81 62.460 62.460 61.880 0.579 17767 12929 1 19 . 1 1 81 81 THR CB C 81 68.200 68.200 67.797 0.403 17767 12930 1 19 . 1 1 81 81 THR H H 81 8.840 8.840 8.772 0.068 17767 12931 1 19 . 1 1 82 82 VAL N N 82 132.160 132.160 125.721 6.439 17767 12932 1 19 . 1 1 82 82 VAL HA H 82 4.449 4.449 4.298 0.151 17767 12933 1 19 . 1 1 82 82 VAL C C 82 175.100 175.100 175.531 -0.431 17767 12934 1 19 . 1 1 82 82 VAL CA C 82 61.760 61.760 61.609 0.151 17767 12935 1 19 . 1 1 82 82 VAL CB C 82 31.200 31.200 31.148 0.052 17767 12936 1 19 . 1 1 82 82 VAL H H 82 9.520 9.520 7.779 1.741 17767 12937 1 19 . 1 1 83 83 HIS N N 83 123.860 123.860 121.637 2.223 17767 12938 1 19 . 1 1 83 83 HIS HA H 83 5.009 5.009 4.771 0.238 17767 12939 1 19 . 1 1 83 83 HIS C C 83 173.500 173.500 172.688 0.812 17767 12940 1 19 . 1 1 83 83 HIS CA C 83 55.300 55.300 54.060 1.240 17767 12941 1 19 . 1 1 83 83 HIS CB C 83 33.400 33.400 32.559 0.841 17767 12942 1 19 . 1 1 83 83 HIS H H 83 8.740 8.740 8.511 0.229 17767 12943 1 19 . 1 1 84 84 LEU N N 84 121.600 121.600 124.967 -3.367 17767 12944 1 19 . 1 1 84 84 LEU HA H 84 5.420 5.420 5.005 0.415 17767 12945 1 19 . 1 1 84 84 LEU C C 84 176.500 176.500 175.664 0.836 17767 12946 1 19 . 1 1 84 84 LEU CA C 84 53.790 53.790 54.112 -0.322 17767 12947 1 19 . 1 1 84 84 LEU CB C 84 44.740 44.740 42.818 1.922 17767 12948 1 19 . 1 1 84 84 LEU H H 84 8.850 8.850 8.482 0.368 17767 12949 1 19 . 1 1 85 85 ALA N N 85 128.800 128.800 130.121 -1.321 17767 12950 1 19 . 1 1 85 85 ALA HA H 85 4.750 4.750 4.734 0.016 17767 12951 1 19 . 1 1 85 85 ALA C C 85 177.000 177.000 176.832 0.168 17767 12952 1 19 . 1 1 85 85 ALA CA C 85 51.480 51.480 51.438 0.042 17767 12953 1 19 . 1 1 85 85 ALA CB C 85 20.910 20.910 20.932 -0.022 17767 12954 1 19 . 1 1 85 85 ALA H H 85 9.230 9.230 8.962 0.268 17767 12955 1 19 . 1 1 86 86 ASN HA H 86 4.430 4.430 4.330 0.100 17767 12956 1 19 . 1 1 86 86 ASN C C 86 175.400 175.400 175.335 0.065 17767 12957 1 19 . 1 1 86 86 ASN CA C 86 54.140 54.140 54.031 0.109 17767 12958 1 19 . 1 1 86 86 ASN CB C 86 37.550 37.550 37.621 -0.071 17767 12959 1 19 . 1 1 87 87 GLY N N 87 103.430 103.430 101.232 2.198 17767 12960 1 19 . 1 1 87 87 GLY C C 87 173.800 173.800 173.987 -0.187 17767 12961 1 19 . 1 1 87 87 GLY CA C 87 45.670 45.670 45.274 0.396 17767 12962 1 19 . 1 1 87 87 GLY H H 87 8.620 8.620 8.523 0.097 17767 12963 1 19 . 1 1 88 88 LYS N N 88 120.490 120.490 119.514 0.976 17767 12964 1 19 . 1 1 88 88 LYS HA H 88 5.120 5.120 4.836 0.284 17767 12965 1 19 . 1 1 88 88 LYS C C 88 175.500 175.500 174.168 1.332 17767 12966 1 19 . 1 1 88 88 LYS CA C 88 55.140 55.140 54.675 0.465 17767 12967 1 19 . 1 1 88 88 LYS CB C 88 34.610 34.610 34.671 -0.061 17767 12968 1 19 . 1 1 88 88 LYS H H 88 7.880 7.880 7.697 0.183 17767 12969 1 19 . 1 1 89 89 LEU N N 89 124.420 124.420 123.014 1.406 17767 12970 1 19 . 1 1 89 89 LEU HA H 89 4.730 4.730 4.534 0.196 17767 12971 1 19 . 1 1 89 89 LEU C C 89 176.700 176.700 174.789 1.911 17767 12972 1 19 . 1 1 89 89 LEU CA C 89 54.500 54.500 53.514 0.986 17767 12973 1 19 . 1 1 89 89 LEU CB C 89 44.150 44.150 43.384 0.766 17767 12974 1 19 . 1 1 89 89 LEU H H 89 8.780 8.780 8.054 0.726 17767 12975 1 19 . 1 1 90 90 VAL N N 90 122.500 122.500 125.373 -2.873 17767 12976 1 19 . 1 1 90 90 VAL HA H 90 5.420 5.420 4.209 1.211 17767 12977 1 19 . 1 1 90 90 VAL C C 90 175.200 175.200 174.016 1.184 17767 12978 1 19 . 1 1 90 90 VAL CA C 90 60.350 60.350 61.276 -0.926 17767 12979 1 19 . 1 1 90 90 VAL CB C 90 35.930 35.930 32.913 3.017 17767 12980 1 19 . 1 1 90 90 VAL H H 90 9.050 9.050 8.692 0.358 17767 12981 1 19 . 1 1 91 91 CYS N N 91 123.100 123.100 129.288 -6.188 17767 12982 1 19 . 1 1 91 91 CYS HA H 91 5.370 5.370 4.822 0.548 17767 12983 1 19 . 1 1 91 91 CYS C C 91 172.700 172.700 173.271 -0.571 17767 12984 1 19 . 1 1 91 91 CYS CA C 91 55.230 55.230 56.663 -1.433 17767 12985 1 19 . 1 1 91 91 CYS CB C 91 42.970 42.970 26.382 16.588 17767 12986 1 19 . 1 1 91 91 CYS H H 91 8.820 8.820 8.636 0.184 17767 12987 1 19 . 1 1 92 92 LYS N N 92 128.900 128.900 126.137 2.763 17767 12988 1 19 . 1 1 92 92 LYS HA H 92 5.000 5.000 4.692 0.308 17767 12989 1 19 . 1 1 92 92 LYS C C 92 174.270 174.270 175.652 -1.382 17767 12990 1 19 . 1 1 92 92 LYS CA C 92 55.360 55.360 55.453 -0.093 17767 12991 1 19 . 1 1 92 92 LYS CB C 92 35.960 35.960 33.796 2.164 17767 12992 1 19 . 1 1 92 92 LYS H H 92 9.450 9.450 8.198 1.252 17767 12993 1 19 . 1 1 93 93 SER N N 93 119.300 119.300 121.533 -2.233 17767 12994 1 19 . 1 1 93 93 SER HA H 93 4.710 4.710 4.764 -0.054 17767 12995 1 19 . 1 1 93 93 SER C C 93 174.200 174.200 174.727 -0.527 17767 12996 1 19 . 1 1 93 93 SER CA C 93 55.430 55.430 57.034 -1.604 17767 12997 1 19 . 1 1 93 93 SER CB C 93 66.460 66.460 64.639 1.821 17767 12998 1 19 . 1 1 93 93 SER H H 93 8.620 8.620 8.613 0.007 17767 12999 1 19 . 1 1 94 94 GLU N N 94 119.900 119.900 120.395 -0.495 17767 13000 1 19 . 1 1 94 94 GLU HA H 94 4.090 4.090 4.360 -0.270 17767 13001 1 19 . 1 1 94 94 GLU C C 94 177.600 177.600 176.730 0.870 17767 13002 1 19 . 1 1 94 94 GLU CA C 94 59.440 59.440 57.927 1.513 17767 13003 1 19 . 1 1 94 94 GLU CB C 94 29.360 29.360 29.786 -0.426 17767 13004 1 19 . 1 1 94 94 GLU H H 94 8.670 8.670 8.418 0.252 17767 13005 1 19 . 1 1 95 95 LYS N N 95 113.500 113.500 117.068 -3.568 17767 13006 1 19 . 1 1 95 95 LYS HA H 95 4.430 4.430 4.138 0.292 17767 13007 1 19 . 1 1 95 95 LYS C C 95 175.980 175.980 174.838 1.142 17767 13008 1 19 . 1 1 95 95 LYS CA C 95 56.180 56.180 55.973 0.207 17767 13009 1 19 . 1 1 95 95 LYS CB C 95 35.220 35.220 32.911 2.309 17767 13010 1 19 . 1 1 95 95 LYS H H 95 8.300 8.300 7.802 0.498 17767 13011 1 19 . 1 1 96 96 PHE N N 96 113.270 113.270 116.936 -3.666 17767 13012 1 19 . 1 1 96 96 PHE HA H 96 5.860 5.860 4.721 1.139 17767 13013 1 19 . 1 1 96 96 PHE C C 96 173.900 173.900 173.977 -0.077 17767 13014 1 19 . 1 1 96 96 PHE CA C 96 55.890 55.890 55.663 0.227 17767 13015 1 19 . 1 1 96 96 PHE CB C 96 43.560 43.560 41.771 1.789 17767 13016 1 19 . 1 1 96 96 PHE H H 96 7.000 7.000 7.263 -0.263 17767 13017 1 19 . 1 1 97 97 SER N N 97 112.050 112.050 113.607 -1.557 17767 13018 1 19 . 1 1 97 97 SER HA H 97 5.220 5.220 4.756 0.464 17767 13019 1 19 . 1 1 97 97 SER C C 97 172.560 172.560 172.184 0.376 17767 13020 1 19 . 1 1 97 97 SER CA C 97 57.870 57.870 58.443 -0.573 17767 13021 1 19 . 1 1 97 97 SER CB C 97 65.990 65.990 64.815 1.175 17767 13022 1 19 . 1 1 97 97 SER H H 97 8.790 8.790 8.536 0.254 17767 13023 1 19 . 1 1 98 98 HIS N N 98 126.300 126.300 125.088 1.212 17767 13024 1 19 . 1 1 98 98 HIS HA H 98 5.190 5.190 5.084 0.106 17767 13025 1 19 . 1 1 98 98 HIS C C 98 174.500 174.500 173.149 1.351 17767 13026 1 19 . 1 1 98 98 HIS CA C 98 56.260 56.260 54.629 1.631 17767 13027 1 19 . 1 1 98 98 HIS CB C 98 36.270 36.270 32.939 3.331 17767 13028 1 19 . 1 1 98 98 HIS H H 98 9.190 9.190 8.957 0.233 17767 13029 1 19 . 1 1 99 99 GLU N N 99 126.670 126.670 128.411 -1.741 17767 13030 1 19 . 1 1 99 99 GLU HA H 99 5.390 5.390 4.864 0.526 17767 13031 1 19 . 1 1 99 99 GLU C C 99 175.400 175.400 174.845 0.555 17767 13032 1 19 . 1 1 99 99 GLU CA C 99 55.000 55.000 54.810 0.190 17767 13033 1 19 . 1 1 99 99 GLU CB C 99 34.000 34.000 33.131 0.869 17767 13034 1 19 . 1 1 99 99 GLU H H 99 8.350 8.350 9.018 -0.668 17767 13035 1 19 . 1 1 101 101 GLU N N 101 125.500 125.500 124.451 1.049 17767 13036 1 19 . 1 1 101 101 GLU HA H 101 5.160 5.160 4.743 0.417 17767 13037 1 19 . 1 1 101 101 GLU CA C 101 54.090 54.090 54.604 -0.514 17767 13038 1 19 . 1 1 101 101 GLU CB C 101 34.800 34.800 33.188 1.612 17767 13039 1 19 . 1 1 101 101 GLU H H 101 8.900 8.900 8.500 0.400 17767 13040 1 19 . 1 1 102 102 VAL N N 102 124.420 124.420 125.508 -1.088 17767 13041 1 19 . 1 1 102 102 VAL HA H 102 4.630 4.630 4.285 0.345 17767 13042 1 19 . 1 1 102 102 VAL C C 102 175.200 175.200 176.079 -0.879 17767 13043 1 19 . 1 1 102 102 VAL CA C 102 61.380 61.380 61.581 -0.201 17767 13044 1 19 . 1 1 102 102 VAL CB C 102 34.100 34.100 32.650 1.450 17767 13045 1 19 . 1 1 102 102 VAL H H 102 8.790 8.790 8.545 0.245 17767 13046 1 19 . 1 1 103 103 LYS N N 103 129.480 129.480 129.511 -0.031 17767 13047 1 19 . 1 1 103 103 LYS HA H 103 4.570 4.570 4.564 0.006 17767 13048 1 19 . 1 1 103 103 LYS C C 103 176.500 176.500 176.363 0.137 17767 13049 1 19 . 1 1 103 103 LYS CA C 103 55.340 55.340 54.147 1.193 17767 13050 1 19 . 1 1 103 103 LYS CB C 103 33.760 33.760 31.948 1.812 17767 13051 1 19 . 1 1 103 103 LYS H H 103 8.950 8.950 9.002 -0.052 17767 13052 1 19 . 1 1 104 104 GLY N N 104 116.700 116.700 113.995 2.705 17767 13053 1 19 . 1 1 104 104 GLY C C 104 174.500 174.500 174.693 -0.193 17767 13054 1 19 . 1 1 104 104 GLY CA C 104 47.680 47.680 46.845 0.835 17767 13055 1 19 . 1 1 104 104 GLY H H 104 9.140 9.140 8.451 0.689 17767 13056 1 19 . 1 1 105 105 ASN N N 105 125.540 125.540 123.722 1.818 17767 13057 1 19 . 1 1 105 105 ASN HA H 105 5.000 5.000 4.899 0.101 17767 13058 1 19 . 1 1 105 105 ASN CA C 105 53.130 53.130 52.940 0.190 17767 13059 1 19 . 1 1 105 105 ASN CB C 105 39.060 39.060 39.891 -0.830 17767 13060 1 19 . 1 1 105 105 ASN H H 105 9.030 9.030 8.364 0.666 17767 13061 1 19 . 1 1 106 106 GLU N N 106 120.480 120.480 119.506 0.974 17767 13062 1 19 . 1 1 106 106 GLU HA H 106 5.550 5.550 5.044 0.506 17767 13063 1 19 . 1 1 106 106 GLU CA C 106 55.550 55.550 55.282 0.268 17767 13064 1 19 . 1 1 106 106 GLU CB C 106 33.160 33.160 34.004 -0.844 17767 13065 1 19 . 1 1 106 106 GLU H H 106 8.100 8.100 7.662 0.438 17767 13066 1 19 . 1 1 107 107 MET N N 107 124.080 124.080 123.432 0.648 17767 13067 1 19 . 1 1 107 107 MET HA H 107 5.120 5.120 5.098 0.022 17767 13068 1 19 . 1 1 107 107 MET CA C 107 53.700 53.700 54.465 -0.765 17767 13069 1 19 . 1 1 107 107 MET CB C 107 36.800 36.800 35.624 1.176 17767 13070 1 19 . 1 1 107 107 MET H H 107 8.930 8.930 9.016 -0.086 17767 13071 1 19 . 1 1 108 108 VAL N N 108 126.820 126.820 127.463 -0.643 17767 13072 1 19 . 1 1 108 108 VAL HA H 108 5.250 5.250 4.529 0.721 17767 13073 1 19 . 1 1 108 108 VAL CA C 108 61.340 61.340 61.043 0.297 17767 13074 1 19 . 1 1 108 108 VAL CB C 108 34.900 34.900 31.928 2.972 17767 13075 1 19 . 1 1 108 108 VAL H H 108 9.017 9.017 8.909 0.108 17767 13076 1 19 . 1 1 109 109 GLU N N 109 128.300 128.300 127.648 0.652 17767 13077 1 19 . 1 1 109 109 GLU HA H 109 5.040 5.040 5.097 -0.057 17767 13078 1 19 . 1 1 109 109 GLU C C 109 174.410 174.410 175.175 -0.765 17767 13079 1 19 . 1 1 109 109 GLU CA C 109 54.440 54.440 54.261 0.179 17767 13080 1 19 . 1 1 109 109 GLU CB C 109 34.760 34.760 33.676 1.084 17767 13081 1 19 . 1 1 109 109 GLU H H 109 9.100 9.100 9.268 -0.168 17767 13082 1 19 . 1 1 110 110 THR N N 110 120.760 120.760 118.880 1.880 17767 13083 1 19 . 1 1 110 110 THR HA H 110 4.850 4.850 4.630 0.220 17767 13084 1 19 . 1 1 110 110 THR C C 110 174.900 174.900 173.219 1.681 17767 13085 1 19 . 1 1 110 110 THR CA C 110 61.980 61.980 61.698 0.282 17767 13086 1 19 . 1 1 110 110 THR CB C 110 69.520 69.520 69.767 -0.247 17767 13087 1 19 . 1 1 110 110 THR H H 110 8.876 8.876 8.837 0.039 17767 13088 1 19 . 1 1 111 111 ILE N N 111 131.030 131.030 126.030 5.000 17767 13089 1 19 . 1 1 111 111 ILE HA H 111 5.240 5.240 4.630 0.610 17767 13090 1 19 . 1 1 111 111 ILE C C 111 174.600 174.600 175.032 -0.432 17767 13091 1 19 . 1 1 111 111 ILE CA C 111 60.310 60.310 59.210 1.100 17767 13092 1 19 . 1 1 111 111 ILE CB C 111 41.220 41.220 40.859 0.361 17767 13093 1 19 . 1 1 111 111 ILE H H 111 9.490 9.490 7.987 1.503 17767 13094 1 19 . 1 1 112 112 THR N N 112 122.800 122.800 117.826 4.974 17767 13095 1 19 . 1 1 112 112 THR HA H 112 5.960 5.960 4.961 0.999 17767 13096 1 19 . 1 1 112 112 THR C C 112 174.370 174.370 173.050 1.320 17767 13097 1 19 . 1 1 112 112 THR CA C 112 61.180 61.180 62.051 -0.871 17767 13098 1 19 . 1 1 112 112 THR CB C 112 71.250 71.250 70.469 0.782 17767 13099 1 19 . 1 1 112 112 THR H H 112 9.490 9.490 8.013 1.477 17767 13100 1 19 . 1 1 113 113 PHE N N 113 124.980 124.980 124.548 0.432 17767 13101 1 19 . 1 1 113 113 PHE HA H 113 4.820 4.820 4.355 0.465 17767 13102 1 19 . 1 1 113 113 PHE C C 113 175.700 175.700 175.797 -0.097 17767 13103 1 19 . 1 1 113 113 PHE CA C 113 58.800 58.800 57.608 1.192 17767 13104 1 19 . 1 1 113 113 PHE CB C 113 43.480 43.480 42.601 0.879 17767 13105 1 19 . 1 1 113 113 PHE H H 113 9.000 9.000 8.496 0.504 17767 13106 1 19 . 1 1 114 114 GLY N N 114 116.550 116.550 111.076 5.474 17767 13107 1 19 . 1 1 114 114 GLY C C 114 175.300 175.300 174.724 0.576 17767 13108 1 19 . 1 1 114 114 GLY CA C 114 46.840 46.840 45.743 1.097 17767 13109 1 19 . 1 1 114 114 GLY H H 114 8.410 8.410 8.928 -0.518 17767 13110 1 19 . 1 1 115 115 GLY N N 115 105.640 105.640 106.300 -0.660 17767 13111 1 19 . 1 1 115 115 GLY C C 115 174.200 174.200 173.838 0.362 17767 13112 1 19 . 1 1 115 115 GLY CA C 115 44.890 44.890 44.982 -0.092 17767 13113 1 19 . 1 1 115 115 GLY H H 115 8.560 8.560 8.209 0.351 17767 13114 1 19 . 1 1 116 116 VAL N N 116 123.600 123.600 121.317 2.283 17767 13115 1 19 . 1 1 116 116 VAL HA H 116 4.310 4.310 4.405 -0.095 17767 13116 1 19 . 1 1 116 116 VAL C C 116 174.640 174.640 175.053 -0.413 17767 13117 1 19 . 1 1 116 116 VAL CA C 116 62.250 62.250 60.805 1.445 17767 13118 1 19 . 1 1 116 116 VAL CB C 116 34.170 34.170 34.158 0.012 17767 13119 1 19 . 1 1 116 116 VAL H H 116 8.164 8.164 7.682 0.482 17767 13120 1 19 . 1 1 117 117 THR N N 117 123.270 123.270 124.340 -1.070 17767 13121 1 19 . 1 1 117 117 THR HA H 117 5.250 5.250 4.559 0.691 17767 13122 1 19 . 1 1 117 117 THR C C 117 173.800 173.800 173.556 0.244 17767 13123 1 19 . 1 1 117 117 THR CA C 117 61.900 61.900 61.805 0.095 17767 13124 1 19 . 1 1 117 117 THR CB C 117 70.450 70.450 68.530 1.920 17767 13125 1 19 . 1 1 117 117 THR H H 117 8.770 8.770 8.530 0.240 17767 13126 1 19 . 1 1 118 118 LEU N N 118 132.800 132.800 129.726 3.074 17767 13127 1 19 . 1 1 118 118 LEU HA H 118 4.880 4.880 4.438 0.442 17767 13128 1 19 . 1 1 118 118 LEU C C 118 175.200 175.200 174.979 0.221 17767 13129 1 19 . 1 1 118 118 LEU CA C 118 53.570 53.570 53.297 0.273 17767 13130 1 19 . 1 1 118 118 LEU CB C 118 44.730 44.730 41.935 2.795 17767 13131 1 19 . 1 1 118 118 LEU H H 118 9.700 9.700 7.987 1.713 17767 13132 1 19 . 1 1 119 119 ILE N N 119 124.980 124.980 128.197 -3.217 17767 13133 1 19 . 1 1 119 119 ILE HA H 119 5.240 5.240 4.263 0.977 17767 13134 1 19 . 1 1 119 119 ILE C C 119 175.900 175.900 175.604 0.296 17767 13135 1 19 . 1 1 119 119 ILE CA C 119 59.340 59.340 61.444 -2.103 17767 13136 1 19 . 1 1 119 119 ILE CB C 119 39.550 39.550 37.781 1.769 17767 13137 1 19 . 1 1 119 119 ILE H H 119 7.800 7.800 7.788 0.012 17767 13138 1 19 . 1 1 120 120 ARG N N 120 126.110 126.110 127.551 -1.441 17767 13139 1 19 . 1 1 120 120 ARG HA H 120 5.040 5.040 4.715 0.325 17767 13140 1 19 . 1 1 120 120 ARG C C 120 175.300 175.300 174.476 0.824 17767 13141 1 19 . 1 1 120 120 ARG CA C 120 54.990 54.990 54.532 0.458 17767 13142 1 19 . 1 1 120 120 ARG CB C 120 34.760 34.760 33.689 1.071 17767 13143 1 19 . 1 1 120 120 ARG H H 120 9.400 9.400 8.937 0.463 17767 13144 1 19 . 1 1 121 121 ARG N N 121 126.600 126.600 123.650 2.950 17767 13145 1 19 . 1 1 121 121 ARG HA H 121 5.350 5.350 4.534 0.816 17767 13146 1 19 . 1 1 121 121 ARG C C 121 175.020 175.020 174.780 0.240 17767 13147 1 19 . 1 1 121 121 ARG CA C 121 55.250 55.250 55.513 -0.263 17767 13148 1 19 . 1 1 121 121 ARG CB C 121 31.830 31.830 31.811 0.019 17767 13149 1 19 . 1 1 121 121 ARG H H 121 9.110 9.110 8.058 1.052 17767 13150 1 19 . 1 1 122 122 SER N N 122 118.200 118.200 118.664 -0.464 17767 13151 1 19 . 1 1 122 122 SER HA H 122 5.730 5.730 5.547 0.183 17767 13152 1 19 . 1 1 122 122 SER C C 122 173.010 173.010 173.325 -0.315 17767 13153 1 19 . 1 1 122 122 SER CA C 122 58.100 58.100 56.287 1.813 17767 13154 1 19 . 1 1 122 122 SER CB C 122 66.850 66.850 65.629 1.221 17767 13155 1 19 . 1 1 122 122 SER H H 122 9.290 9.290 9.032 0.258 17767 13156 1 19 . 1 1 123 123 LYS N N 123 120.480 120.480 122.507 -2.027 17767 13157 1 19 . 1 1 123 123 LYS HA H 123 5.780 5.780 5.092 0.688 17767 13158 1 19 . 1 1 123 123 LYS C C 123 175.600 175.600 175.654 -0.054 17767 13159 1 19 . 1 1 123 123 LYS CA C 123 54.130 54.130 54.977 -0.847 17767 13160 1 19 . 1 1 123 123 LYS CB C 123 36.330 36.330 35.724 0.606 17767 13161 1 19 . 1 1 123 123 LYS H H 123 8.650 8.650 8.778 -0.128 17767 13162 1 19 . 1 1 124 124 ARG N N 124 124.980 124.980 125.098 -0.118 17767 13163 1 19 . 1 1 124 124 ARG HA H 124 3.940 3.940 4.712 -0.772 17767 13164 1 19 . 1 1 124 124 ARG C C 124 176.500 176.500 175.996 0.504 17767 13165 1 19 . 1 1 124 124 ARG CA C 124 56.900 56.900 56.312 0.588 17767 13166 1 19 . 1 1 124 124 ARG CB C 124 30.380 30.380 31.174 -0.794 17767 13167 1 19 . 1 1 124 124 ARG H H 124 8.200 8.200 8.845 -0.645 17767 13168 1 20 . 1 1 2 2 PHE HA H 2 4.460 4.460 4.868 -0.408 17767 13169 1 20 . 1 1 2 2 PHE C C 2 175.900 175.900 177.179 -1.279 17767 13170 1 20 . 1 1 2 2 PHE CA C 2 61.170 61.170 58.908 2.262 17767 13171 1 20 . 1 1 2 2 PHE CB C 2 40.690 40.690 39.769 0.921 17767 13172 1 20 . 1 1 3 3 SER N N 3 111.380 111.380 115.326 -3.946 17767 13173 1 20 . 1 1 3 3 SER HA H 3 4.420 4.420 4.282 0.138 17767 13174 1 20 . 1 1 3 3 SER C C 3 174.700 174.700 174.784 -0.084 17767 13175 1 20 . 1 1 3 3 SER CA C 3 60.000 60.000 59.768 0.232 17767 13176 1 20 . 1 1 3 3 SER CB C 3 64.140 64.140 62.571 1.569 17767 13177 1 20 . 1 1 3 3 SER H H 3 7.968 7.968 8.456 -0.488 17767 13178 1 20 . 1 1 4 4 GLY N N 4 111.480 111.480 111.972 -0.492 17767 13179 1 20 . 1 1 4 4 GLY C C 4 171.800 171.800 171.295 0.505 17767 13180 1 20 . 1 1 4 4 GLY CA C 4 44.150 44.150 45.559 -1.409 17767 13181 1 20 . 1 1 4 4 GLY H H 4 9.080 9.080 8.782 0.298 17767 13182 1 20 . 1 1 5 5 THR N N 5 117.770 117.770 113.307 4.463 17767 13183 1 20 . 1 1 5 5 THR HA H 5 4.980 4.980 5.076 -0.096 17767 13184 1 20 . 1 1 5 5 THR C C 5 173.190 173.190 172.779 0.411 17767 13185 1 20 . 1 1 5 5 THR CA C 5 62.930 62.930 61.004 1.926 17767 13186 1 20 . 1 1 5 5 THR CB C 5 69.310 69.310 70.431 -1.121 17767 13187 1 20 . 1 1 5 5 THR H H 5 8.270 8.270 7.667 0.603 17767 13188 1 20 . 1 1 6 6 TRP N N 6 127.500 127.500 126.071 1.429 17767 13189 1 20 . 1 1 6 6 TRP HA H 6 5.130 5.130 5.542 -0.412 17767 13190 1 20 . 1 1 6 6 TRP CA C 6 55.300 55.300 55.545 -0.245 17767 13191 1 20 . 1 1 6 6 TRP CB C 6 32.290 32.290 31.969 0.321 17767 13192 1 20 . 1 1 6 6 TRP H H 6 9.560 9.560 8.883 0.677 17767 13193 1 20 . 1 1 7 7 GLN HA H 7 4.970 4.970 4.764 0.206 17767 13194 1 20 . 1 1 7 7 GLN C C 7 175.900 175.900 175.384 0.516 17767 13195 1 20 . 1 1 7 7 GLN CA C 7 54.720 54.720 54.804 -0.084 17767 13196 1 20 . 1 1 7 7 GLN CB C 7 32.400 32.400 31.368 1.032 17767 13197 1 20 . 1 1 8 8 VAL N N 8 131.400 131.400 123.127 8.273 17767 13198 1 20 . 1 1 8 8 VAL HA H 8 4.450 4.450 5.165 -0.715 17767 13199 1 20 . 1 1 8 8 VAL CA C 8 63.500 63.500 59.708 3.792 17767 13200 1 20 . 1 1 8 8 VAL CB C 8 32.300 32.300 33.130 -0.830 17767 13201 1 20 . 1 1 8 8 VAL H H 8 8.270 8.270 8.447 -0.177 17767 13202 1 20 . 1 1 9 9 TYR N N 9 123.300 123.300 119.680 3.620 17767 13203 1 20 . 1 1 9 9 TYR HA H 9 5.140 5.140 4.931 0.209 17767 13204 1 20 . 1 1 9 9 TYR C C 9 174.600 174.600 173.088 1.512 17767 13205 1 20 . 1 1 9 9 TYR CA C 9 56.600 56.600 56.378 0.222 17767 13206 1 20 . 1 1 9 9 TYR CB C 9 40.880 40.880 40.443 0.438 17767 13207 1 20 . 1 1 9 9 TYR H H 9 9.570 9.570 8.942 0.628 17767 13208 1 20 . 1 1 10 10 ALA N N 10 125.800 125.800 129.127 -3.327 17767 13209 1 20 . 1 1 10 10 ALA HA H 10 4.680 4.680 4.686 -0.006 17767 13210 1 20 . 1 1 10 10 ALA C C 10 175.200 175.200 175.832 -0.632 17767 13211 1 20 . 1 1 10 10 ALA CA C 10 51.780 51.780 52.323 -0.543 17767 13212 1 20 . 1 1 10 10 ALA CB C 10 22.070 22.070 21.278 0.792 17767 13213 1 20 . 1 1 10 10 ALA H H 10 7.330 7.330 8.163 -0.833 17767 13214 1 20 . 1 1 11 11 GLN N N 11 118.300 118.300 118.787 -0.487 17767 13215 1 20 . 1 1 11 11 GLN HA H 11 5.370 5.370 4.577 0.793 17767 13216 1 20 . 1 1 11 11 GLN C C 11 174.700 174.700 174.832 -0.132 17767 13217 1 20 . 1 1 11 11 GLN CA C 11 54.460 54.460 55.186 -0.726 17767 13218 1 20 . 1 1 11 11 GLN CB C 11 32.870 32.870 28.958 3.912 17767 13219 1 20 . 1 1 11 11 GLN H H 11 8.700 8.700 8.634 0.066 17767 13220 1 20 . 1 1 12 12 GLU N N 12 123.800 123.800 121.435 2.365 17767 13221 1 20 . 1 1 12 12 GLU HA H 12 4.600 4.600 4.502 0.098 17767 13222 1 20 . 1 1 12 12 GLU C C 12 175.700 175.700 176.833 -1.133 17767 13223 1 20 . 1 1 12 12 GLU CA C 12 55.300 55.300 55.355 -0.055 17767 13224 1 20 . 1 1 12 12 GLU CB C 12 31.760 31.760 30.242 1.518 17767 13225 1 20 . 1 1 12 12 GLU H H 12 9.130 9.130 8.598 0.532 17767 13226 1 20 . 1 1 13 13 ASN N N 13 117.550 117.550 119.934 -2.384 17767 13227 1 20 . 1 1 13 13 ASN HA H 13 4.790 4.790 4.709 0.081 17767 13228 1 20 . 1 1 13 13 ASN C C 13 175.600 175.600 174.648 0.952 17767 13229 1 20 . 1 1 13 13 ASN CA C 13 54.100 54.100 53.482 0.618 17767 13230 1 20 . 1 1 13 13 ASN CB C 13 37.100 37.100 36.583 0.517 17767 13231 1 20 . 1 1 13 13 ASN H H 13 9.130 9.130 8.851 0.279 17767 13232 1 20 . 1 1 14 14 TYR N N 14 118.280 118.280 123.885 -5.605 17767 13233 1 20 . 1 1 14 14 TYR HA H 14 4.360 4.360 4.419 -0.059 17767 13234 1 20 . 1 1 14 14 TYR C C 14 176.500 176.500 176.613 -0.113 17767 13235 1 20 . 1 1 14 14 TYR CA C 14 60.590 60.590 62.026 -1.436 17767 13236 1 20 . 1 1 14 14 TYR CB C 14 39.450 39.450 39.863 -0.413 17767 13237 1 20 . 1 1 14 14 TYR H H 14 7.900 7.900 8.530 -0.630 17767 13238 1 20 . 1 1 15 15 GLU N N 15 118.600 118.600 119.091 -0.491 17767 13239 1 20 . 1 1 15 15 GLU HA H 15 3.550 3.550 4.084 -0.534 17767 13240 1 20 . 1 1 15 15 GLU C C 15 178.500 178.500 178.550 -0.050 17767 13241 1 20 . 1 1 15 15 GLU CA C 15 61.170 61.170 60.014 1.156 17767 13242 1 20 . 1 1 15 15 GLU CB C 15 28.700 28.700 28.869 -0.169 17767 13243 1 20 . 1 1 15 15 GLU H H 15 8.960 8.960 9.133 -0.173 17767 13244 1 20 . 1 1 16 16 GLU N N 16 118.800 118.800 119.127 -0.327 17767 13245 1 20 . 1 1 16 16 GLU HA H 16 3.880 3.880 4.129 -0.249 17767 13246 1 20 . 1 1 16 16 GLU C C 16 178.600 178.600 178.450 0.150 17767 13247 1 20 . 1 1 16 16 GLU CA C 16 60.300 60.300 58.785 1.515 17767 13248 1 20 . 1 1 16 16 GLU CB C 16 28.600 28.600 29.191 -0.591 17767 13249 1 20 . 1 1 16 16 GLU H H 16 9.090 9.090 8.562 0.528 17767 13250 1 20 . 1 1 17 17 PHE N N 17 124.200 124.200 121.021 3.179 17767 13251 1 20 . 1 1 17 17 PHE HA H 17 3.960 3.960 4.283 -0.323 17767 13252 1 20 . 1 1 17 17 PHE C C 17 176.400 176.400 177.046 -0.646 17767 13253 1 20 . 1 1 17 17 PHE CA C 17 62.350 62.350 59.586 2.764 17767 13254 1 20 . 1 1 17 17 PHE CB C 17 40.380 40.380 38.861 1.519 17767 13255 1 20 . 1 1 17 17 PHE H H 17 8.410 8.410 7.516 0.894 17767 13256 1 20 . 1 1 18 18 LEU N N 18 116.400 116.400 118.825 -2.425 17767 13257 1 20 . 1 1 18 18 LEU HA H 18 3.780 3.780 3.516 0.264 17767 13258 1 20 . 1 1 18 18 LEU C C 18 178.800 178.800 178.636 0.164 17767 13259 1 20 . 1 1 18 18 LEU CA C 18 58.240 58.240 57.830 0.410 17767 13260 1 20 . 1 1 18 18 LEU CB C 18 41.220 41.220 41.181 0.039 17767 13261 1 20 . 1 1 18 18 LEU H H 18 8.200 8.200 7.761 0.439 17767 13262 1 20 . 1 1 19 19 LYS N N 19 116.590 116.590 117.031 -0.441 17767 13263 1 20 . 1 1 19 19 LYS HA H 19 4.040 4.040 4.071 -0.031 17767 13264 1 20 . 1 1 19 19 LYS C C 19 179.800 179.800 178.326 1.474 17767 13265 1 20 . 1 1 19 19 LYS CA C 19 58.820 58.820 58.744 0.076 17767 13266 1 20 . 1 1 19 19 LYS CB C 19 32.150 32.150 32.115 0.035 17767 13267 1 20 . 1 1 19 19 LYS H H 19 7.790 7.790 7.598 0.192 17767 13268 1 20 . 1 1 20 20 ALA N N 20 126.110 126.110 119.538 6.572 17767 13269 1 20 . 1 1 20 20 ALA HA H 20 4.160 4.160 4.283 -0.123 17767 13270 1 20 . 1 1 20 20 ALA C C 20 178.600 178.600 178.293 0.307 17767 13271 1 20 . 1 1 20 20 ALA CA C 20 55.300 55.300 53.654 1.646 17767 13272 1 20 . 1 1 20 20 ALA CB C 20 17.700 17.700 18.781 -1.081 17767 13273 1 20 . 1 1 20 20 ALA H H 20 7.990 7.990 7.132 0.858 17767 13274 1 20 . 1 1 21 21 LEU N N 21 117.110 117.110 117.086 0.024 17767 13275 1 20 . 1 1 21 21 LEU HA H 21 3.688 3.688 4.205 -0.517 17767 13276 1 20 . 1 1 21 21 LEU C C 21 176.100 176.100 175.987 0.113 17767 13277 1 20 . 1 1 21 21 LEU CA C 21 55.400 55.400 53.794 1.607 17767 13278 1 20 . 1 1 21 21 LEU CB C 21 42.700 42.700 41.576 1.124 17767 13279 1 20 . 1 1 21 21 LEU H H 21 7.380 7.380 6.980 0.400 17767 13280 1 20 . 1 1 22 22 ALA N N 22 118.800 118.800 118.948 -0.148 17767 13281 1 20 . 1 1 22 22 ALA HA H 22 3.985 3.985 3.956 0.029 17767 13282 1 20 . 1 1 22 22 ALA C C 22 177.000 177.000 177.017 -0.017 17767 13283 1 20 . 1 1 22 22 ALA CA C 22 52.370 52.370 52.701 -0.331 17767 13284 1 20 . 1 1 22 22 ALA CB C 22 15.960 15.960 16.668 -0.708 17767 13285 1 20 . 1 1 22 22 ALA H H 22 7.920 7.920 7.168 0.752 17767 13286 1 20 . 1 1 23 23 LEU N N 23 118.470 118.470 119.294 -0.824 17767 13287 1 20 . 1 1 23 23 LEU HA H 23 4.425 4.425 4.496 -0.071 17767 13288 1 20 . 1 1 23 23 LEU C C 23 174.500 174.500 175.240 -0.740 17767 13289 1 20 . 1 1 23 23 LEU CA C 23 54.130 54.130 52.153 1.977 17767 13290 1 20 . 1 1 23 23 LEU CB C 23 41.220 41.220 42.433 -1.213 17767 13291 1 20 . 1 1 23 23 LEU H H 23 6.950 6.950 7.601 -0.651 17767 13292 1 20 . 1 1 24 24 PRO HA H 24 4.475 4.475 4.576 -0.101 17767 13293 1 20 . 1 1 24 24 PRO C C 24 177.500 177.500 177.645 -0.145 17767 13294 1 20 . 1 1 24 24 PRO CA C 24 62.940 62.940 62.376 0.564 17767 13295 1 20 . 1 1 24 24 PRO CB C 24 32.600 32.600 32.313 0.286 17767 13296 1 20 . 1 1 25 25 GLU N N 25 122.500 122.500 124.797 -2.297 17767 13297 1 20 . 1 1 25 25 GLU HA H 25 3.860 3.860 3.786 0.074 17767 13298 1 20 . 1 1 25 25 GLU C C 25 177.900 177.900 177.913 -0.013 17767 13299 1 20 . 1 1 25 25 GLU CA C 25 60.100 60.100 59.968 0.132 17767 13300 1 20 . 1 1 25 25 GLU CB C 25 29.690 29.690 28.675 1.015 17767 13301 1 20 . 1 1 25 25 GLU H H 25 8.840 8.840 8.866 -0.026 17767 13302 1 20 . 1 1 26 26 ASP N N 26 117.110 117.110 118.990 -1.880 17767 13303 1 20 . 1 1 26 26 ASP HA H 26 4.360 4.360 4.372 -0.012 17767 13304 1 20 . 1 1 26 26 ASP C C 26 177.900 177.900 178.146 -0.246 17767 13305 1 20 . 1 1 26 26 ASP CA C 26 57.080 57.080 56.640 0.440 17767 13306 1 20 . 1 1 26 26 ASP CB C 26 40.040 40.040 40.284 -0.244 17767 13307 1 20 . 1 1 26 26 ASP H H 26 8.920 8.920 8.650 0.270 17767 13308 1 20 . 1 1 27 27 LEU N N 27 121.990 121.990 120.667 1.323 17767 13309 1 20 . 1 1 27 27 LEU HA H 27 4.270 4.270 4.202 0.068 17767 13310 1 20 . 1 1 27 27 LEU C C 27 178.070 178.070 178.501 -0.431 17767 13311 1 20 . 1 1 27 27 LEU CA C 27 57.650 57.650 57.201 0.449 17767 13312 1 20 . 1 1 27 27 LEU CB C 27 42.230 42.230 42.379 -0.149 17767 13313 1 20 . 1 1 27 27 LEU H H 27 7.220 7.220 7.384 -0.164 17767 13314 1 20 . 1 1 28 28 ILE N N 28 120.350 120.350 119.667 0.683 17767 13315 1 20 . 1 1 28 28 ILE HA H 28 3.317 3.317 3.590 -0.273 17767 13316 1 20 . 1 1 28 28 ILE C C 28 177.400 177.400 178.268 -0.868 17767 13317 1 20 . 1 1 28 28 ILE CA C 28 67.040 67.040 65.439 1.601 17767 13318 1 20 . 1 1 28 28 ILE CB C 28 37.110 37.110 37.524 -0.414 17767 13319 1 20 . 1 1 28 28 ILE H H 28 7.900 7.900 8.054 -0.154 17767 13320 1 20 . 1 1 29 29 LYS N N 29 117.110 117.110 116.761 0.349 17767 13321 1 20 . 1 1 29 29 LYS HA H 29 3.947 3.947 4.117 -0.170 17767 13322 1 20 . 1 1 29 29 LYS C C 29 178.900 178.900 177.670 1.230 17767 13323 1 20 . 1 1 29 29 LYS CA C 29 60.000 60.000 58.991 1.009 17767 13324 1 20 . 1 1 29 29 LYS CB C 29 32.390 32.390 32.607 -0.217 17767 13325 1 20 . 1 1 29 29 LYS H H 29 7.850 7.850 7.759 0.091 17767 13326 1 20 . 1 1 30 30 MET N N 30 117.110 117.110 115.368 1.742 17767 13327 1 20 . 1 1 30 30 MET HA H 30 4.320 4.320 4.702 -0.382 17767 13328 1 20 . 1 1 30 30 MET C C 30 177.500 177.500 178.288 -0.788 17767 13329 1 20 . 1 1 30 30 MET CA C 30 57.650 57.650 57.365 0.285 17767 13330 1 20 . 1 1 30 30 MET CB C 30 32.970 32.970 33.757 -0.787 17767 13331 1 20 . 1 1 30 30 MET H H 30 7.450 7.450 7.576 -0.126 17767 13332 1 20 . 1 1 31 31 ALA N N 31 120.480 120.480 123.396 -2.916 17767 13333 1 20 . 1 1 31 31 ALA HA H 31 4.270 4.270 4.155 0.115 17767 13334 1 20 . 1 1 31 31 ALA CA C 31 53.545 53.545 55.121 -1.576 17767 13335 1 20 . 1 1 31 31 ALA CB C 31 19.290 19.290 18.621 0.669 17767 13336 1 20 . 1 1 31 31 ALA H H 31 8.420 8.420 8.935 -0.515 17767 13337 1 20 . 1 1 32 32 ARG N N 32 122.170 122.170 115.900 6.270 17767 13338 1 20 . 1 1 32 32 ARG HA H 32 4.109 4.109 3.739 0.370 17767 13339 1 20 . 1 1 32 32 ARG C C 32 176.500 176.500 176.178 0.322 17767 13340 1 20 . 1 1 32 32 ARG CA C 32 61.170 61.170 58.132 3.038 17767 13341 1 20 . 1 1 32 32 ARG CB C 32 30.600 30.600 29.819 0.781 17767 13342 1 20 . 1 1 32 32 ARG H H 32 7.770 7.770 7.594 0.176 17767 13343 1 20 . 1 1 33 33 ASP N N 33 116.550 116.550 117.665 -1.115 17767 13344 1 20 . 1 1 33 33 ASP HA H 33 4.920 4.920 4.745 0.175 17767 13345 1 20 . 1 1 33 33 ASP C C 33 175.900 175.900 174.840 1.060 17767 13346 1 20 . 1 1 33 33 ASP CA C 33 54.130 54.130 53.370 0.760 17767 13347 1 20 . 1 1 33 33 ASP CB C 33 41.760 41.760 42.533 -0.773 17767 13348 1 20 . 1 1 33 33 ASP H H 33 8.330 8.330 7.550 0.780 17767 13349 1 20 . 1 1 34 34 ILE N N 34 120.060 120.060 122.070 -2.010 17767 13350 1 20 . 1 1 34 34 ILE HA H 34 4.120 4.120 4.389 -0.269 17767 13351 1 20 . 1 1 34 34 ILE C C 34 176.100 176.100 174.307 1.793 17767 13352 1 20 . 1 1 34 34 ILE CA C 34 61.170 61.170 60.800 0.370 17767 13353 1 20 . 1 1 34 34 ILE CB C 34 37.860 37.860 40.050 -2.189 17767 13354 1 20 . 1 1 34 34 ILE H H 34 7.240 7.240 7.733 -0.493 17767 13355 1 20 . 1 1 35 35 LYS N N 35 131.170 131.170 127.847 3.323 17767 13356 1 20 . 1 1 35 35 LYS HA H 35 4.700 4.700 4.884 -0.184 17767 13357 1 20 . 1 1 35 35 LYS C C 35 173.700 173.700 174.481 -0.781 17767 13358 1 20 . 1 1 35 35 LYS CA C 35 52.970 52.970 53.582 -0.612 17767 13359 1 20 . 1 1 35 35 LYS CB C 35 32.750 32.750 32.180 0.570 17767 13360 1 20 . 1 1 35 35 LYS H H 35 8.980 8.980 8.516 0.464 17767 13361 1 20 . 1 1 36 36 PRO HA H 36 4.510 4.510 4.436 0.074 17767 13362 1 20 . 1 1 36 36 PRO CA C 36 63.523 63.523 62.502 1.021 17767 13363 1 20 . 1 1 36 36 PRO CB C 36 32.840 32.840 32.486 0.354 17767 13364 1 20 . 1 1 37 37 ILE HA H 37 4.920 4.920 4.148 0.772 17767 13365 1 20 . 1 1 37 37 ILE C C 37 175.500 175.500 175.492 0.008 17767 13366 1 20 . 1 1 37 37 ILE CA C 37 60.588 60.588 60.553 0.035 17767 13367 1 20 . 1 1 37 37 ILE CB C 37 40.630 40.630 39.141 1.489 17767 13368 1 20 . 1 1 38 38 VAL N N 38 129.000 129.000 129.828 -0.828 17767 13369 1 20 . 1 1 38 38 VAL HA H 38 5.120 5.120 4.337 0.783 17767 13370 1 20 . 1 1 38 38 VAL C C 38 175.100 175.100 175.167 -0.067 17767 13371 1 20 . 1 1 38 38 VAL CA C 38 61.176 61.176 60.886 0.290 17767 13372 1 20 . 1 1 38 38 VAL CB C 38 34.850 34.850 31.583 3.267 17767 13373 1 20 . 1 1 38 38 VAL H H 38 9.540 9.540 9.093 0.447 17767 13374 1 20 . 1 1 39 39 GLU N N 39 128.350 128.350 129.034 -0.684 17767 13375 1 20 . 1 1 39 39 GLU HA H 39 5.440 5.440 4.563 0.877 17767 13376 1 20 . 1 1 39 39 GLU C C 39 176.000 176.000 174.812 1.188 17767 13377 1 20 . 1 1 39 39 GLU CA C 39 54.720 54.720 56.957 -2.237 17767 13378 1 20 . 1 1 39 39 GLU CB C 39 32.410 32.410 31.084 1.326 17767 13379 1 20 . 1 1 39 39 GLU H H 39 9.590 9.590 8.317 1.273 17767 13380 1 20 . 1 1 40 40 ILE N N 40 126.110 126.110 125.690 0.420 17767 13381 1 20 . 1 1 40 40 ILE HA H 40 5.050 5.050 5.300 -0.250 17767 13382 1 20 . 1 1 40 40 ILE C C 40 175.800 175.800 173.128 2.672 17767 13383 1 20 . 1 1 40 40 ILE CA C 40 61.330 61.330 58.860 2.470 17767 13384 1 20 . 1 1 40 40 ILE CB C 40 40.160 40.160 42.181 -2.022 17767 13385 1 20 . 1 1 40 40 ILE H H 40 9.630 9.630 8.767 0.863 17767 13386 1 20 . 1 1 41 41 GLN N N 41 128.360 128.360 127.621 0.739 17767 13387 1 20 . 1 1 41 41 GLN HA H 41 4.720 4.720 4.794 -0.074 17767 13388 1 20 . 1 1 41 41 GLN C C 41 173.900 173.900 173.241 0.659 17767 13389 1 20 . 1 1 41 41 GLN CA C 41 54.940 54.940 53.827 1.113 17767 13390 1 20 . 1 1 41 41 GLN CB C 41 31.820 31.820 31.669 0.151 17767 13391 1 20 . 1 1 41 41 GLN H H 41 9.270 9.270 8.277 0.993 17767 13392 1 20 . 1 1 42 42 GLN N N 42 126.110 126.110 122.507 3.603 17767 13393 1 20 . 1 1 42 42 GLN HA H 42 4.380 4.380 4.725 -0.345 17767 13394 1 20 . 1 1 42 42 GLN C C 42 174.700 174.700 174.933 -0.233 17767 13395 1 20 . 1 1 42 42 GLN CA C 42 54.150 54.150 54.291 -0.141 17767 13396 1 20 . 1 1 42 42 GLN CB C 42 30.000 30.000 30.593 -0.593 17767 13397 1 20 . 1 1 42 42 GLN H H 42 8.250 8.250 8.370 -0.120 17767 13398 1 20 . 1 1 43 43 LYS N N 43 130.610 130.610 125.665 4.945 17767 13399 1 20 . 1 1 43 43 LYS HA H 43 4.460 4.460 4.523 -0.063 17767 13400 1 20 . 1 1 43 43 LYS C C 43 176.030 176.030 176.131 -0.101 17767 13401 1 20 . 1 1 43 43 LYS CA C 43 55.306 55.306 55.724 -0.418 17767 13402 1 20 . 1 1 43 43 LYS CB C 43 33.270 33.270 33.128 0.142 17767 13403 1 20 . 1 1 43 43 LYS H H 43 8.820 8.820 8.843 -0.023 17767 13404 1 20 . 1 1 44 44 GLY N N 44 117.110 117.110 114.119 2.991 17767 13405 1 20 . 1 1 44 44 GLY C C 44 174.300 174.300 174.609 -0.309 17767 13406 1 20 . 1 1 44 44 GLY CA C 44 47.480 47.480 46.712 0.768 17767 13407 1 20 . 1 1 44 44 GLY H H 44 8.940 8.940 8.719 0.221 17767 13408 1 20 . 1 1 45 45 ASP N N 45 127.799 127.799 125.172 2.627 17767 13409 1 20 . 1 1 45 45 ASP HA H 45 4.870 4.870 5.047 -0.177 17767 13410 1 20 . 1 1 45 45 ASP C C 45 174.700 174.700 175.126 -0.426 17767 13411 1 20 . 1 1 45 45 ASP CA C 45 54.719 54.719 54.350 0.369 17767 13412 1 20 . 1 1 45 45 ASP CB C 45 41.270 41.270 42.784 -1.514 17767 13413 1 20 . 1 1 45 45 ASP H H 45 8.870 8.870 8.503 0.367 17767 13414 1 20 . 1 1 46 46 ASP N N 46 120.480 120.480 121.587 -1.107 17767 13415 1 20 . 1 1 46 46 ASP HA H 46 5.230 5.230 5.403 -0.173 17767 13416 1 20 . 1 1 46 46 ASP C C 46 175.070 175.070 174.754 0.316 17767 13417 1 20 . 1 1 46 46 ASP CA C 46 54.132 54.132 54.281 -0.149 17767 13418 1 20 . 1 1 46 46 ASP CB C 46 41.570 41.570 42.090 -0.520 17767 13419 1 20 . 1 1 46 46 ASP H H 46 8.060 8.060 7.762 0.298 17767 13420 1 20 . 1 1 47 47 PHE N N 47 122.730 122.730 122.864 -0.134 17767 13421 1 20 . 1 1 47 47 PHE HA H 47 5.090 5.090 5.296 -0.206 17767 13422 1 20 . 1 1 47 47 PHE C C 47 176.400 176.400 174.724 1.676 17767 13423 1 20 . 1 1 47 47 PHE CA C 47 56.420 56.420 55.208 1.212 17767 13424 1 20 . 1 1 47 47 PHE CB C 47 44.150 44.150 42.918 1.232 17767 13425 1 20 . 1 1 47 47 PHE H H 47 9.296 9.296 9.155 0.141 17767 13426 1 20 . 1 1 48 48 VAL N N 48 121.690 121.690 121.684 0.006 17767 13427 1 20 . 1 1 48 48 VAL HA H 48 4.500 4.500 4.372 0.128 17767 13428 1 20 . 1 1 48 48 VAL C C 48 175.700 175.700 174.815 0.885 17767 13429 1 20 . 1 1 48 48 VAL CA C 48 62.930 62.930 61.668 1.262 17767 13430 1 20 . 1 1 48 48 VAL CB C 48 34.670 34.670 32.635 2.035 17767 13431 1 20 . 1 1 48 48 VAL H H 48 8.520 8.520 8.839 -0.319 17767 13432 1 20 . 1 1 49 49 VAL N N 49 127.200 127.200 129.971 -2.771 17767 13433 1 20 . 1 1 49 49 VAL HA H 49 5.250 5.250 4.601 0.649 17767 13434 1 20 . 1 1 49 49 VAL C C 49 175.700 175.700 175.627 0.073 17767 13435 1 20 . 1 1 49 49 VAL CA C 49 61.180 61.180 61.478 -0.298 17767 13436 1 20 . 1 1 49 49 VAL CB C 49 34.660 34.660 32.266 2.394 17767 13437 1 20 . 1 1 49 49 VAL H H 49 9.330 9.330 9.330 -0.000 17767 13438 1 20 . 1 1 50 50 THR N N 50 128.500 128.500 126.165 2.335 17767 13439 1 20 . 1 1 50 50 THR HA H 50 5.430 5.430 4.627 0.803 17767 13440 1 20 . 1 1 50 50 THR C C 50 173.810 173.810 173.466 0.344 17767 13441 1 20 . 1 1 50 50 THR CA C 50 61.530 61.530 62.347 -0.817 17767 13442 1 20 . 1 1 50 50 THR CB C 50 70.760 70.760 69.323 1.437 17767 13443 1 20 . 1 1 50 50 THR H H 50 9.730 9.730 9.385 0.345 17767 13444 1 20 . 1 1 51 51 SER N N 51 122.730 122.730 123.100 -0.370 17767 13445 1 20 . 1 1 51 51 SER HA H 51 5.430 5.430 4.887 0.543 17767 13446 1 20 . 1 1 51 51 SER C C 51 173.800 173.800 173.700 0.100 17767 13447 1 20 . 1 1 51 51 SER CA C 51 57.060 57.060 56.647 0.413 17767 13448 1 20 . 1 1 51 51 SER CB C 51 64.550 64.550 63.806 0.744 17767 13449 1 20 . 1 1 51 51 SER H H 51 9.190 9.190 8.659 0.531 17767 13450 1 20 . 1 1 52 52 LYS N N 52 125.550 125.550 128.053 -2.503 17767 13451 1 20 . 1 1 52 52 LYS HA H 52 5.310 5.310 4.579 0.731 17767 13452 1 20 . 1 1 52 52 LYS C C 52 175.900 175.900 175.627 0.273 17767 13453 1 20 . 1 1 52 52 LYS CA C 52 56.120 56.120 55.640 0.480 17767 13454 1 20 . 1 1 52 52 LYS CB C 52 36.130 36.130 34.076 2.054 17767 13455 1 20 . 1 1 52 52 LYS H H 52 9.490 9.490 8.697 0.793 17767 13456 1 20 . 1 1 53 53 THR N N 53 115.980 115.980 118.456 -2.476 17767 13457 1 20 . 1 1 53 53 THR HA H 53 5.024 5.024 4.668 0.356 17767 13458 1 20 . 1 1 53 53 THR C C 53 173.400 173.400 172.649 0.751 17767 13459 1 20 . 1 1 53 53 THR CA C 53 59.140 59.140 58.858 0.282 17767 13460 1 20 . 1 1 53 53 THR CB C 53 69.300 69.300 69.942 -0.642 17767 13461 1 20 . 1 1 53 53 THR H H 53 8.760 8.760 8.331 0.429 17767 13462 1 20 . 1 1 54 54 PRO HA H 54 4.350 4.350 4.507 -0.157 17767 13463 1 20 . 1 1 54 54 PRO C C 54 177.200 177.200 176.808 0.392 17767 13464 1 20 . 1 1 54 54 PRO CA C 54 66.458 66.458 64.188 2.270 17767 13465 1 20 . 1 1 54 54 PRO CB C 54 32.400 32.400 32.080 0.320 17767 13466 1 20 . 1 1 55 55 ARG N N 55 111.480 111.480 115.364 -3.884 17767 13467 1 20 . 1 1 55 55 ARG HA H 55 4.510 4.510 4.554 -0.044 17767 13468 1 20 . 1 1 55 55 ARG C C 55 175.800 175.800 175.985 -0.185 17767 13469 1 20 . 1 1 55 55 ARG CA C 55 55.893 55.893 56.263 -0.370 17767 13470 1 20 . 1 1 55 55 ARG CB C 55 32.520 32.520 33.008 -0.488 17767 13471 1 20 . 1 1 55 55 ARG H H 55 8.010 8.010 7.661 0.349 17767 13472 1 20 . 1 1 56 56 GLN N N 56 118.230 118.230 119.146 -0.916 17767 13473 1 20 . 1 1 56 56 GLN HA H 56 4.830 4.830 4.493 0.337 17767 13474 1 20 . 1 1 56 56 GLN C C 56 174.200 174.200 174.460 -0.260 17767 13475 1 20 . 1 1 56 56 GLN CA C 56 55.610 55.610 55.286 0.324 17767 13476 1 20 . 1 1 56 56 GLN CB C 56 32.880 32.880 30.949 1.931 17767 13477 1 20 . 1 1 56 56 GLN H H 56 7.530 7.530 8.174 -0.644 17767 13478 1 20 . 1 1 57 57 THR N N 57 120.480 120.480 121.437 -0.957 17767 13479 1 20 . 1 1 57 57 THR HA H 57 5.330 5.330 4.741 0.589 17767 13480 1 20 . 1 1 57 57 THR C C 57 174.000 174.000 174.062 -0.062 17767 13481 1 20 . 1 1 57 57 THR CA C 57 61.760 61.760 61.983 -0.223 17767 13482 1 20 . 1 1 57 57 THR CB C 57 71.500 71.500 69.365 2.135 17767 13483 1 20 . 1 1 57 57 THR H H 57 8.610 8.610 8.482 0.128 17767 13484 1 20 . 1 1 58 58 VAL N N 58 125.200 125.200 123.788 1.412 17767 13485 1 20 . 1 1 58 58 VAL HA H 58 4.540 4.540 4.769 -0.229 17767 13486 1 20 . 1 1 58 58 VAL C C 58 174.400 174.400 173.749 0.651 17767 13487 1 20 . 1 1 58 58 VAL CA C 58 61.170 61.170 59.847 1.323 17767 13488 1 20 . 1 1 58 58 VAL CB C 58 35.560 35.560 35.115 0.445 17767 13489 1 20 . 1 1 58 58 VAL H H 58 8.830 8.830 8.720 0.110 17767 13490 1 20 . 1 1 59 59 THR N N 59 125.500 125.500 116.246 9.254 17767 13491 1 20 . 1 1 59 59 THR HA H 59 5.260 5.260 4.854 0.406 17767 13492 1 20 . 1 1 59 59 THR C C 59 173.400 173.400 173.476 -0.076 17767 13493 1 20 . 1 1 59 59 THR CA C 59 61.980 61.980 60.240 1.740 17767 13494 1 20 . 1 1 59 59 THR CB C 59 71.150 71.150 69.813 1.337 17767 13495 1 20 . 1 1 59 59 THR H H 59 8.870 8.870 8.182 0.688 17767 13496 1 20 . 1 1 60 60 ASN N N 60 124.700 124.700 127.053 -2.353 17767 13497 1 20 . 1 1 60 60 ASN HA H 60 5.270 5.270 5.108 0.162 17767 13498 1 20 . 1 1 60 60 ASN C C 60 173.300 173.300 173.591 -0.291 17767 13499 1 20 . 1 1 60 60 ASN CA C 60 53.000 53.000 52.726 0.274 17767 13500 1 20 . 1 1 60 60 ASN CB C 60 44.700 44.700 41.959 2.741 17767 13501 1 20 . 1 1 60 60 ASN H H 60 9.180 9.180 8.977 0.203 17767 13502 1 20 . 1 1 61 61 SER N N 61 115.980 115.980 119.199 -3.219 17767 13503 1 20 . 1 1 61 61 SER HA H 61 5.430 5.430 5.518 -0.088 17767 13504 1 20 . 1 1 61 61 SER C C 61 173.300 173.300 173.439 -0.139 17767 13505 1 20 . 1 1 61 61 SER CA C 61 57.060 57.060 56.767 0.293 17767 13506 1 20 . 1 1 61 61 SER CB C 61 65.590 65.590 65.739 -0.149 17767 13507 1 20 . 1 1 61 61 SER H H 61 8.840 8.840 8.724 0.116 17767 13508 1 20 . 1 1 62 62 PHE N N 62 117.670 117.670 118.433 -0.763 17767 13509 1 20 . 1 1 62 62 PHE HA H 62 5.020 5.020 4.886 0.134 17767 13510 1 20 . 1 1 62 62 PHE C C 62 173.100 173.100 173.122 -0.022 17767 13511 1 20 . 1 1 62 62 PHE CA C 62 56.590 56.590 56.639 -0.049 17767 13512 1 20 . 1 1 62 62 PHE CB C 62 40.030 40.030 40.443 -0.413 17767 13513 1 20 . 1 1 62 62 PHE H H 62 8.235 8.235 8.665 -0.430 17767 13514 1 20 . 1 1 63 63 THR N N 63 119.920 119.920 115.600 4.320 17767 13515 1 20 . 1 1 63 63 THR HA H 63 5.500 5.500 5.159 0.341 17767 13516 1 20 . 1 1 63 63 THR C C 63 175.600 175.600 174.590 1.010 17767 13517 1 20 . 1 1 63 63 THR CA C 63 61.170 61.170 61.285 -0.115 17767 13518 1 20 . 1 1 63 63 THR CB C 63 72.320 72.320 71.474 0.846 17767 13519 1 20 . 1 1 63 63 THR H H 63 9.650 9.650 8.369 1.281 17767 13520 1 20 . 1 1 64 64 LEU N N 64 126.300 126.300 127.805 -1.505 17767 13521 1 20 . 1 1 64 64 LEU HA H 64 4.430 4.430 3.882 0.548 17767 13522 1 20 . 1 1 64 64 LEU C C 64 178.000 178.000 178.492 -0.492 17767 13523 1 20 . 1 1 64 64 LEU CA C 64 56.100 56.100 56.178 -0.078 17767 13524 1 20 . 1 1 64 64 LEU CB C 64 41.330 41.330 41.001 0.329 17767 13525 1 20 . 1 1 64 64 LEU H H 64 9.280 9.280 9.140 0.140 17767 13526 1 20 . 1 1 65 65 GLY N N 65 107.520 107.520 113.269 -5.749 17767 13527 1 20 . 1 1 65 65 GLY C C 65 173.800 173.800 173.748 0.052 17767 13528 1 20 . 1 1 65 65 GLY CA C 65 45.780 45.780 45.099 0.681 17767 13529 1 20 . 1 1 65 65 GLY H H 65 9.110 9.110 8.621 0.489 17767 13530 1 20 . 1 1 66 66 LYS N N 66 121.600 121.600 121.875 -0.275 17767 13531 1 20 . 1 1 66 66 LYS HA H 66 4.780 4.780 4.566 0.214 17767 13532 1 20 . 1 1 66 66 LYS C C 66 175.600 175.600 175.013 0.587 17767 13533 1 20 . 1 1 66 66 LYS CA C 66 54.100 54.100 54.845 -0.745 17767 13534 1 20 . 1 1 66 66 LYS CB C 66 34.620 34.620 33.909 0.711 17767 13535 1 20 . 1 1 66 66 LYS H H 66 7.910 7.910 7.879 0.031 17767 13536 1 20 . 1 1 67 67 GLU N N 67 129.400 129.400 126.438 2.962 17767 13537 1 20 . 1 1 67 67 GLU HA H 67 4.070 4.070 4.195 -0.125 17767 13538 1 20 . 1 1 67 67 GLU C C 67 175.030 175.030 175.628 -0.598 17767 13539 1 20 . 1 1 67 67 GLU CA C 67 59.220 59.220 57.538 1.682 17767 13540 1 20 . 1 1 67 67 GLU CB C 67 30.400 30.400 30.200 0.200 17767 13541 1 20 . 1 1 67 67 GLU H H 67 8.940 8.940 8.714 0.226 17767 13542 1 20 . 1 1 68 68 ALA N N 68 130.940 130.940 129.621 1.319 17767 13543 1 20 . 1 1 68 68 ALA HA H 68 4.900 4.900 4.801 0.099 17767 13544 1 20 . 1 1 68 68 ALA C C 68 176.000 176.000 175.109 0.891 17767 13545 1 20 . 1 1 68 68 ALA CA C 68 51.000 51.000 50.767 0.233 17767 13546 1 20 . 1 1 68 68 ALA CB C 68 22.440 22.440 22.783 -0.343 17767 13547 1 20 . 1 1 68 68 ALA H H 68 8.660 8.660 8.096 0.564 17767 13548 1 20 . 1 1 69 69 ASP N N 69 120.500 120.500 120.397 0.103 17767 13549 1 20 . 1 1 69 69 ASP HA H 69 5.000 5.000 5.165 -0.165 17767 13550 1 20 . 1 1 69 69 ASP C C 69 174.400 174.400 176.282 -1.882 17767 13551 1 20 . 1 1 69 69 ASP CA C 69 54.670 54.670 53.675 0.995 17767 13552 1 20 . 1 1 69 69 ASP CB C 69 41.930 41.930 41.595 0.335 17767 13553 1 20 . 1 1 69 69 ASP H H 69 8.330 8.330 8.497 -0.167 17767 13554 1 20 . 1 1 70 70 ILE N N 70 125.540 125.540 118.369 7.171 17767 13555 1 20 . 1 1 70 70 ILE HA H 70 4.510 4.510 4.624 -0.114 17767 13556 1 20 . 1 1 70 70 ILE C C 70 175.300 175.300 174.576 0.724 17767 13557 1 20 . 1 1 70 70 ILE CA C 70 57.690 57.690 59.083 -1.393 17767 13558 1 20 . 1 1 70 70 ILE CB C 70 40.040 40.040 41.583 -1.543 17767 13559 1 20 . 1 1 70 70 ILE H H 70 8.850 8.850 9.036 -0.186 17767 13560 1 20 . 1 1 71 71 THR N N 71 123.860 123.860 117.044 6.816 17767 13561 1 20 . 1 1 71 71 THR HA H 71 5.240 5.240 5.061 0.179 17767 13562 1 20 . 1 1 71 71 THR C C 71 174.600 174.600 173.699 0.901 17767 13563 1 20 . 1 1 71 71 THR CA C 71 61.610 61.610 61.057 0.553 17767 13564 1 20 . 1 1 71 71 THR CB C 71 70.370 70.370 70.840 -0.470 17767 13565 1 20 . 1 1 71 71 THR H H 71 9.460 9.460 8.173 1.287 17767 13566 1 20 . 1 1 72 72 THR N N 72 115.980 115.980 119.237 -3.257 17767 13567 1 20 . 1 1 72 72 THR HA H 72 4.550 4.550 4.674 -0.124 17767 13568 1 20 . 1 1 72 72 THR C C 72 177.300 177.300 176.014 1.286 17767 13569 1 20 . 1 1 72 72 THR CA C 72 60.550 60.550 59.152 1.398 17767 13570 1 20 . 1 1 72 72 THR CB C 72 70.710 70.710 69.599 1.111 17767 13571 1 20 . 1 1 72 72 THR H H 72 8.700 8.700 8.384 0.316 17767 13572 1 20 . 1 1 73 73 MET N N 73 119.830 119.830 123.430 -3.600 17767 13573 1 20 . 1 1 73 73 MET HA H 73 4.110 4.110 4.268 -0.158 17767 13574 1 20 . 1 1 73 73 MET C C 73 176.200 176.200 176.584 -0.384 17767 13575 1 20 . 1 1 73 73 MET CA C 73 58.900 58.900 58.178 0.722 17767 13576 1 20 . 1 1 73 73 MET CB C 73 34.760 34.760 32.562 2.198 17767 13577 1 20 . 1 1 73 73 MET H H 73 10.360 10.360 8.686 1.674 17767 13578 1 20 . 1 1 74 74 ASP N N 74 112.220 112.220 119.104 -6.884 17767 13579 1 20 . 1 1 74 74 ASP HA H 74 4.800 4.800 4.475 0.325 17767 13580 1 20 . 1 1 74 74 ASP C C 74 175.600 175.600 177.176 -1.576 17767 13581 1 20 . 1 1 74 74 ASP CA C 74 52.630 52.630 54.702 -2.072 17767 13582 1 20 . 1 1 74 74 ASP CB C 74 38.870 38.870 41.388 -2.518 17767 13583 1 20 . 1 1 74 74 ASP H H 74 8.680 8.680 7.657 1.023 17767 13584 1 20 . 1 1 75 75 GLY N N 75 108.040 108.040 106.709 1.331 17767 13585 1 20 . 1 1 75 75 GLY C C 75 175.000 175.000 173.637 1.363 17767 13586 1 20 . 1 1 75 75 GLY CA C 75 46.400 46.400 44.772 1.628 17767 13587 1 20 . 1 1 75 75 GLY H H 75 7.600 7.600 7.692 -0.092 17767 13588 1 20 . 1 1 76 76 LYS N N 76 120.500 120.500 119.976 0.524 17767 13589 1 20 . 1 1 76 76 LYS HA H 76 4.440 4.440 4.549 -0.109 17767 13590 1 20 . 1 1 76 76 LYS C C 76 175.400 175.400 175.398 0.002 17767 13591 1 20 . 1 1 76 76 LYS CA C 76 55.240 55.240 54.897 0.343 17767 13592 1 20 . 1 1 76 76 LYS CB C 76 33.500 33.500 35.614 -2.114 17767 13593 1 20 . 1 1 76 76 LYS H H 76 8.260 8.260 7.639 0.621 17767 13594 1 20 . 1 1 77 77 LYS N N 77 119.300 119.300 122.453 -3.153 17767 13595 1 20 . 1 1 77 77 LYS HA H 77 5.370 5.370 4.956 0.414 17767 13596 1 20 . 1 1 77 77 LYS C C 77 176.100 176.100 175.939 0.161 17767 13597 1 20 . 1 1 77 77 LYS CA C 77 54.360 54.360 55.243 -0.883 17767 13598 1 20 . 1 1 77 77 LYS CB C 77 32.840 32.840 32.391 0.449 17767 13599 1 20 . 1 1 77 77 LYS H H 77 8.130 8.130 8.456 -0.326 17767 13600 1 20 . 1 1 78 78 LEU N N 78 123.860 123.860 125.447 -1.587 17767 13601 1 20 . 1 1 78 78 LEU HA H 78 4.910 4.910 4.923 -0.013 17767 13602 1 20 . 1 1 78 78 LEU C C 78 175.600 175.600 175.979 -0.379 17767 13603 1 20 . 1 1 78 78 LEU CA C 78 53.170 53.170 53.443 -0.273 17767 13604 1 20 . 1 1 78 78 LEU CB C 78 45.780 45.780 45.877 -0.097 17767 13605 1 20 . 1 1 78 78 LEU H H 78 9.028 9.028 8.508 0.520 17767 13606 1 20 . 1 1 79 79 LYS N N 79 119.280 119.280 121.111 -1.831 17767 13607 1 20 . 1 1 79 79 LYS HA H 79 5.615 5.615 4.918 0.697 17767 13608 1 20 . 1 1 79 79 LYS C C 79 176.600 176.600 175.540 1.060 17767 13609 1 20 . 1 1 79 79 LYS CA C 79 55.000 55.000 55.417 -0.417 17767 13610 1 20 . 1 1 79 79 LYS CB C 79 36.850 36.850 33.126 3.724 17767 13611 1 20 . 1 1 79 79 LYS H H 79 8.240 8.240 8.421 -0.181 17767 13612 1 20 . 1 1 80 80 CYS N N 80 115.980 115.980 126.461 -10.481 17767 13613 1 20 . 1 1 80 80 CYS HA H 80 4.700 4.700 4.676 0.024 17767 13614 1 20 . 1 1 80 80 CYS C C 80 173.500 173.500 175.167 -1.667 17767 13615 1 20 . 1 1 80 80 CYS CA C 80 56.500 56.500 57.860 -1.360 17767 13616 1 20 . 1 1 80 80 CYS CB C 80 45.700 45.700 26.543 19.157 17767 13617 1 20 . 1 1 80 80 CYS H H 80 8.306 8.306 8.610 -0.304 17767 13618 1 20 . 1 1 81 81 THR N N 81 122.000 122.000 127.131 -5.131 17767 13619 1 20 . 1 1 81 81 THR HA H 81 4.303 4.303 4.400 -0.097 17767 13620 1 20 . 1 1 81 81 THR C C 81 173.100 173.100 173.666 -0.566 17767 13621 1 20 . 1 1 81 81 THR CA C 81 62.460 62.460 61.791 0.669 17767 13622 1 20 . 1 1 81 81 THR CB C 81 68.200 68.200 67.955 0.245 17767 13623 1 20 . 1 1 81 81 THR H H 81 8.840 8.840 8.631 0.209 17767 13624 1 20 . 1 1 82 82 VAL N N 82 132.160 132.160 124.782 7.378 17767 13625 1 20 . 1 1 82 82 VAL HA H 82 4.449 4.449 4.653 -0.204 17767 13626 1 20 . 1 1 82 82 VAL C C 82 175.100 175.100 174.268 0.832 17767 13627 1 20 . 1 1 82 82 VAL CA C 82 61.760 61.760 60.248 1.512 17767 13628 1 20 . 1 1 82 82 VAL CB C 82 31.200 31.200 34.180 -2.980 17767 13629 1 20 . 1 1 82 82 VAL H H 82 9.520 9.520 7.401 2.119 17767 13630 1 20 . 1 1 83 83 HIS N N 83 123.860 123.860 122.540 1.320 17767 13631 1 20 . 1 1 83 83 HIS HA H 83 5.009 5.009 4.798 0.211 17767 13632 1 20 . 1 1 83 83 HIS C C 83 173.500 173.500 172.869 0.631 17767 13633 1 20 . 1 1 83 83 HIS CA C 83 55.300 55.300 53.654 1.646 17767 13634 1 20 . 1 1 83 83 HIS CB C 83 33.400 33.400 32.330 1.070 17767 13635 1 20 . 1 1 83 83 HIS H H 83 8.740 8.740 7.986 0.754 17767 13636 1 20 . 1 1 84 84 LEU N N 84 121.600 121.600 123.600 -2.000 17767 13637 1 20 . 1 1 84 84 LEU HA H 84 5.420 5.420 4.828 0.592 17767 13638 1 20 . 1 1 84 84 LEU C C 84 176.500 176.500 175.765 0.735 17767 13639 1 20 . 1 1 84 84 LEU CA C 84 53.790 53.790 54.295 -0.505 17767 13640 1 20 . 1 1 84 84 LEU CB C 84 44.740 44.740 43.137 1.603 17767 13641 1 20 . 1 1 84 84 LEU H H 84 8.850 8.850 8.494 0.356 17767 13642 1 20 . 1 1 85 85 ALA N N 85 128.800 128.800 129.616 -0.816 17767 13643 1 20 . 1 1 85 85 ALA HA H 85 4.750 4.750 4.600 0.150 17767 13644 1 20 . 1 1 85 85 ALA C C 85 177.000 177.000 176.494 0.506 17767 13645 1 20 . 1 1 85 85 ALA CA C 85 51.480 51.480 52.007 -0.527 17767 13646 1 20 . 1 1 85 85 ALA CB C 85 20.910 20.910 21.084 -0.174 17767 13647 1 20 . 1 1 85 85 ALA H H 85 9.230 9.230 8.965 0.265 17767 13648 1 20 . 1 1 86 86 ASN HA H 86 4.430 4.430 4.334 0.096 17767 13649 1 20 . 1 1 86 86 ASN C C 86 175.400 175.400 175.362 0.038 17767 13650 1 20 . 1 1 86 86 ASN CA C 86 54.140 54.140 53.922 0.218 17767 13651 1 20 . 1 1 86 86 ASN CB C 86 37.550 37.550 37.371 0.179 17767 13652 1 20 . 1 1 87 87 GLY N N 87 103.430 103.430 101.760 1.670 17767 13653 1 20 . 1 1 87 87 GLY C C 87 173.800 173.800 173.612 0.188 17767 13654 1 20 . 1 1 87 87 GLY CA C 87 45.670 45.670 45.479 0.191 17767 13655 1 20 . 1 1 87 87 GLY H H 87 8.620 8.620 8.548 0.072 17767 13656 1 20 . 1 1 88 88 LYS N N 88 120.490 120.490 118.778 1.712 17767 13657 1 20 . 1 1 88 88 LYS HA H 88 5.120 5.120 5.045 0.075 17767 13658 1 20 . 1 1 88 88 LYS C C 88 175.500 175.500 174.681 0.819 17767 13659 1 20 . 1 1 88 88 LYS CA C 88 55.140 55.140 53.778 1.362 17767 13660 1 20 . 1 1 88 88 LYS CB C 88 34.610 34.610 34.681 -0.071 17767 13661 1 20 . 1 1 88 88 LYS H H 88 7.880 7.880 7.730 0.150 17767 13662 1 20 . 1 1 89 89 LEU N N 89 124.420 124.420 124.884 -0.464 17767 13663 1 20 . 1 1 89 89 LEU HA H 89 4.730 4.730 4.706 0.024 17767 13664 1 20 . 1 1 89 89 LEU C C 89 176.700 176.700 175.054 1.646 17767 13665 1 20 . 1 1 89 89 LEU CA C 89 54.500 54.500 53.909 0.591 17767 13666 1 20 . 1 1 89 89 LEU CB C 89 44.150 44.150 43.230 0.920 17767 13667 1 20 . 1 1 89 89 LEU H H 89 8.780 8.780 8.241 0.539 17767 13668 1 20 . 1 1 90 90 VAL N N 90 122.500 122.500 124.087 -1.587 17767 13669 1 20 . 1 1 90 90 VAL HA H 90 5.420 5.420 4.551 0.869 17767 13670 1 20 . 1 1 90 90 VAL C C 90 175.200 175.200 174.480 0.720 17767 13671 1 20 . 1 1 90 90 VAL CA C 90 60.350 60.350 60.802 -0.452 17767 13672 1 20 . 1 1 90 90 VAL CB C 90 35.930 35.930 32.623 3.308 17767 13673 1 20 . 1 1 90 90 VAL H H 90 9.050 9.050 8.473 0.577 17767 13674 1 20 . 1 1 91 91 CYS N N 91 123.100 123.100 129.406 -6.306 17767 13675 1 20 . 1 1 91 91 CYS HA H 91 5.370 5.370 4.638 0.732 17767 13676 1 20 . 1 1 91 91 CYS C C 91 172.700 172.700 173.734 -1.034 17767 13677 1 20 . 1 1 91 91 CYS CA C 91 55.230 55.230 57.072 -1.842 17767 13678 1 20 . 1 1 91 91 CYS CB C 91 42.970 42.970 26.670 16.300 17767 13679 1 20 . 1 1 91 91 CYS H H 91 8.820 8.820 8.678 0.142 17767 13680 1 20 . 1 1 92 92 LYS N N 92 128.900 128.900 129.360 -0.460 17767 13681 1 20 . 1 1 92 92 LYS HA H 92 5.000 5.000 4.526 0.474 17767 13682 1 20 . 1 1 92 92 LYS C C 92 174.270 174.270 175.707 -1.437 17767 13683 1 20 . 1 1 92 92 LYS CA C 92 55.360 55.360 55.856 -0.496 17767 13684 1 20 . 1 1 92 92 LYS CB C 92 35.960 35.960 34.420 1.540 17767 13685 1 20 . 1 1 92 92 LYS H H 92 9.450 9.450 8.277 1.173 17767 13686 1 20 . 1 1 93 93 SER N N 93 119.300 119.300 121.133 -1.833 17767 13687 1 20 . 1 1 93 93 SER HA H 93 4.710 4.710 4.768 -0.058 17767 13688 1 20 . 1 1 93 93 SER C C 93 174.200 174.200 175.211 -1.011 17767 13689 1 20 . 1 1 93 93 SER CA C 93 55.430 55.430 57.282 -1.851 17767 13690 1 20 . 1 1 93 93 SER CB C 93 66.460 66.460 63.937 2.523 17767 13691 1 20 . 1 1 93 93 SER H H 93 8.620 8.620 8.845 -0.225 17767 13692 1 20 . 1 1 94 94 GLU N N 94 119.900 119.900 121.049 -1.149 17767 13693 1 20 . 1 1 94 94 GLU HA H 94 4.090 4.090 4.397 -0.307 17767 13694 1 20 . 1 1 94 94 GLU C C 94 177.600 177.600 176.676 0.924 17767 13695 1 20 . 1 1 94 94 GLU CA C 94 59.440 59.440 58.067 1.373 17767 13696 1 20 . 1 1 94 94 GLU CB C 94 29.360 29.360 30.015 -0.654 17767 13697 1 20 . 1 1 94 94 GLU H H 94 8.670 8.670 8.560 0.110 17767 13698 1 20 . 1 1 95 95 LYS N N 95 113.500 113.500 117.067 -3.567 17767 13699 1 20 . 1 1 95 95 LYS HA H 95 4.430 4.430 4.177 0.253 17767 13700 1 20 . 1 1 95 95 LYS C C 95 175.980 175.980 175.072 0.908 17767 13701 1 20 . 1 1 95 95 LYS CA C 95 56.180 56.180 55.511 0.669 17767 13702 1 20 . 1 1 95 95 LYS CB C 95 35.220 35.220 32.736 2.485 17767 13703 1 20 . 1 1 95 95 LYS H H 95 8.300 8.300 7.831 0.469 17767 13704 1 20 . 1 1 96 96 PHE N N 96 113.270 113.270 117.709 -4.439 17767 13705 1 20 . 1 1 96 96 PHE HA H 96 5.860 5.860 4.660 1.200 17767 13706 1 20 . 1 1 96 96 PHE C C 96 173.900 173.900 174.024 -0.124 17767 13707 1 20 . 1 1 96 96 PHE CA C 96 55.890 55.890 55.553 0.337 17767 13708 1 20 . 1 1 96 96 PHE CB C 96 43.560 43.560 41.809 1.751 17767 13709 1 20 . 1 1 96 96 PHE H H 96 7.000 7.000 7.377 -0.377 17767 13710 1 20 . 1 1 97 97 SER N N 97 112.050 112.050 114.586 -2.536 17767 13711 1 20 . 1 1 97 97 SER HA H 97 5.220 5.220 4.722 0.498 17767 13712 1 20 . 1 1 97 97 SER C C 97 172.560 172.560 172.694 -0.134 17767 13713 1 20 . 1 1 97 97 SER CA C 97 57.870 57.870 58.453 -0.583 17767 13714 1 20 . 1 1 97 97 SER CB C 97 65.990 65.990 64.542 1.448 17767 13715 1 20 . 1 1 97 97 SER H H 97 8.790 8.790 8.961 -0.171 17767 13716 1 20 . 1 1 98 98 HIS N N 98 126.300 126.300 127.104 -0.804 17767 13717 1 20 . 1 1 98 98 HIS HA H 98 5.190 5.190 4.782 0.408 17767 13718 1 20 . 1 1 98 98 HIS C C 98 174.500 174.500 173.327 1.173 17767 13719 1 20 . 1 1 98 98 HIS CA C 98 56.260 56.260 55.177 1.083 17767 13720 1 20 . 1 1 98 98 HIS CB C 98 36.270 36.270 31.873 4.397 17767 13721 1 20 . 1 1 98 98 HIS H H 98 9.190 9.190 9.052 0.138 17767 13722 1 20 . 1 1 99 99 GLU N N 99 126.670 126.670 128.785 -2.115 17767 13723 1 20 . 1 1 99 99 GLU HA H 99 5.390 5.390 4.848 0.542 17767 13724 1 20 . 1 1 99 99 GLU C C 99 175.400 175.400 174.749 0.651 17767 13725 1 20 . 1 1 99 99 GLU CA C 99 55.000 55.000 54.566 0.434 17767 13726 1 20 . 1 1 99 99 GLU CB C 99 34.000 34.000 32.777 1.223 17767 13727 1 20 . 1 1 99 99 GLU H H 99 8.350 8.350 8.423 -0.073 17767 13728 1 20 . 1 1 101 101 GLU N N 101 125.500 125.500 124.142 1.358 17767 13729 1 20 . 1 1 101 101 GLU HA H 101 5.160 5.160 4.761 0.399 17767 13730 1 20 . 1 1 101 101 GLU CA C 101 54.090 54.090 54.728 -0.638 17767 13731 1 20 . 1 1 101 101 GLU CB C 101 34.800 34.800 32.822 1.978 17767 13732 1 20 . 1 1 101 101 GLU H H 101 8.900 8.900 8.773 0.127 17767 13733 1 20 . 1 1 102 102 VAL N N 102 124.420 124.420 124.436 -0.016 17767 13734 1 20 . 1 1 102 102 VAL HA H 102 4.630 4.630 4.606 0.024 17767 13735 1 20 . 1 1 102 102 VAL C C 102 175.200 175.200 174.733 0.467 17767 13736 1 20 . 1 1 102 102 VAL CA C 102 61.380 61.380 59.708 1.672 17767 13737 1 20 . 1 1 102 102 VAL CB C 102 34.100 34.100 34.432 -0.332 17767 13738 1 20 . 1 1 102 102 VAL H H 102 8.790 8.790 8.566 0.224 17767 13739 1 20 . 1 1 103 103 LYS N N 103 129.480 129.480 127.803 1.677 17767 13740 1 20 . 1 1 103 103 LYS HA H 103 4.570 4.570 4.555 0.015 17767 13741 1 20 . 1 1 103 103 LYS C C 103 176.500 176.500 176.495 0.005 17767 13742 1 20 . 1 1 103 103 LYS CA C 103 55.340 55.340 55.741 -0.401 17767 13743 1 20 . 1 1 103 103 LYS CB C 103 33.760 33.760 34.282 -0.522 17767 13744 1 20 . 1 1 103 103 LYS H H 103 8.950 8.950 9.158 -0.208 17767 13745 1 20 . 1 1 104 104 GLY N N 104 116.700 116.700 116.778 -0.078 17767 13746 1 20 . 1 1 104 104 GLY C C 104 174.500 174.500 175.080 -0.580 17767 13747 1 20 . 1 1 104 104 GLY CA C 104 47.680 47.680 47.019 0.661 17767 13748 1 20 . 1 1 104 104 GLY H H 104 9.140 9.140 8.903 0.237 17767 13749 1 20 . 1 1 105 105 ASN N N 105 125.540 125.540 124.824 0.716 17767 13750 1 20 . 1 1 105 105 ASN HA H 105 5.000 5.000 5.035 -0.035 17767 13751 1 20 . 1 1 105 105 ASN CA C 105 53.130 53.130 52.852 0.278 17767 13752 1 20 . 1 1 105 105 ASN CB C 105 39.060 39.060 40.196 -1.136 17767 13753 1 20 . 1 1 105 105 ASN H H 105 9.030 9.030 8.482 0.548 17767 13754 1 20 . 1 1 106 106 GLU N N 106 120.480 120.480 120.285 0.195 17767 13755 1 20 . 1 1 106 106 GLU HA H 106 5.550 5.550 5.270 0.280 17767 13756 1 20 . 1 1 106 106 GLU CA C 106 55.550 55.550 55.419 0.131 17767 13757 1 20 . 1 1 106 106 GLU CB C 106 33.160 33.160 34.045 -0.885 17767 13758 1 20 . 1 1 106 106 GLU H H 106 8.100 8.100 8.093 0.007 17767 13759 1 20 . 1 1 107 107 MET N N 107 124.080 124.080 123.797 0.283 17767 13760 1 20 . 1 1 107 107 MET HA H 107 5.120 5.120 5.254 -0.134 17767 13761 1 20 . 1 1 107 107 MET CA C 107 53.700 53.700 54.395 -0.695 17767 13762 1 20 . 1 1 107 107 MET CB C 107 36.800 36.800 37.272 -0.472 17767 13763 1 20 . 1 1 107 107 MET H H 107 8.930 8.930 9.400 -0.470 17767 13764 1 20 . 1 1 108 108 VAL N N 108 126.820 126.820 124.384 2.436 17767 13765 1 20 . 1 1 108 108 VAL HA H 108 5.250 5.250 4.761 0.489 17767 13766 1 20 . 1 1 108 108 VAL CA C 108 61.340 61.340 60.062 1.278 17767 13767 1 20 . 1 1 108 108 VAL CB C 108 34.900 34.900 34.838 0.062 17767 13768 1 20 . 1 1 108 108 VAL H H 108 9.017 9.017 9.244 -0.227 17767 13769 1 20 . 1 1 109 109 GLU N N 109 128.300 128.300 129.058 -0.758 17767 13770 1 20 . 1 1 109 109 GLU HA H 109 5.040 5.040 5.259 -0.219 17767 13771 1 20 . 1 1 109 109 GLU C C 109 174.410 174.410 174.788 -0.378 17767 13772 1 20 . 1 1 109 109 GLU CA C 109 54.440 54.440 54.347 0.092 17767 13773 1 20 . 1 1 109 109 GLU CB C 109 34.760 34.760 32.949 1.811 17767 13774 1 20 . 1 1 109 109 GLU H H 109 9.100 9.100 8.680 0.420 17767 13775 1 20 . 1 1 110 110 THR N N 110 120.760 120.760 121.372 -0.612 17767 13776 1 20 . 1 1 110 110 THR HA H 110 4.850 4.850 4.721 0.129 17767 13777 1 20 . 1 1 110 110 THR C C 110 174.900 174.900 173.463 1.437 17767 13778 1 20 . 1 1 110 110 THR CA C 110 61.980 61.980 61.945 0.035 17767 13779 1 20 . 1 1 110 110 THR CB C 110 69.520 69.520 70.124 -0.604 17767 13780 1 20 . 1 1 110 110 THR H H 110 8.876 8.876 8.823 0.053 17767 13781 1 20 . 1 1 111 111 ILE N N 111 131.030 131.030 127.421 3.609 17767 13782 1 20 . 1 1 111 111 ILE HA H 111 5.240 5.240 4.364 0.876 17767 13783 1 20 . 1 1 111 111 ILE C C 111 174.600 174.600 174.523 0.077 17767 13784 1 20 . 1 1 111 111 ILE CA C 111 60.310 60.310 59.292 1.018 17767 13785 1 20 . 1 1 111 111 ILE CB C 111 41.220 41.220 41.108 0.112 17767 13786 1 20 . 1 1 111 111 ILE H H 111 9.490 9.490 8.549 0.941 17767 13787 1 20 . 1 1 112 112 THR N N 112 122.800 122.800 118.766 4.034 17767 13788 1 20 . 1 1 112 112 THR HA H 112 5.960 5.960 5.037 0.923 17767 13789 1 20 . 1 1 112 112 THR C C 112 174.370 174.370 173.322 1.048 17767 13790 1 20 . 1 1 112 112 THR CA C 112 61.180 61.180 61.962 -0.782 17767 13791 1 20 . 1 1 112 112 THR CB C 112 71.250 71.250 70.475 0.775 17767 13792 1 20 . 1 1 112 112 THR H H 112 9.490 9.490 8.454 1.036 17767 13793 1 20 . 1 1 113 113 PHE N N 113 124.980 124.980 124.612 0.368 17767 13794 1 20 . 1 1 113 113 PHE HA H 113 4.820 4.820 4.618 0.202 17767 13795 1 20 . 1 1 113 113 PHE C C 113 175.700 175.700 175.980 -0.280 17767 13796 1 20 . 1 1 113 113 PHE CA C 113 58.800 58.800 57.807 0.993 17767 13797 1 20 . 1 1 113 113 PHE CB C 113 43.480 43.480 43.233 0.246 17767 13798 1 20 . 1 1 113 113 PHE H H 113 9.000 9.000 8.659 0.341 17767 13799 1 20 . 1 1 114 114 GLY N N 114 116.550 116.550 111.400 5.150 17767 13800 1 20 . 1 1 114 114 GLY C C 114 175.300 175.300 175.146 0.154 17767 13801 1 20 . 1 1 114 114 GLY CA C 114 46.840 46.840 45.705 1.135 17767 13802 1 20 . 1 1 114 114 GLY H H 114 8.410 8.410 9.146 -0.736 17767 13803 1 20 . 1 1 115 115 GLY N N 115 105.640 105.640 106.754 -1.114 17767 13804 1 20 . 1 1 115 115 GLY C C 115 174.200 174.200 173.932 0.268 17767 13805 1 20 . 1 1 115 115 GLY CA C 115 44.890 44.890 44.969 -0.079 17767 13806 1 20 . 1 1 115 115 GLY H H 115 8.560 8.560 8.264 0.296 17767 13807 1 20 . 1 1 116 116 VAL N N 116 123.600 123.600 121.300 2.300 17767 13808 1 20 . 1 1 116 116 VAL HA H 116 4.310 4.310 4.305 0.005 17767 13809 1 20 . 1 1 116 116 VAL C C 116 174.640 174.640 174.725 -0.085 17767 13810 1 20 . 1 1 116 116 VAL CA C 116 62.250 62.250 60.820 1.430 17767 13811 1 20 . 1 1 116 116 VAL CB C 116 34.170 34.170 34.167 0.003 17767 13812 1 20 . 1 1 116 116 VAL H H 116 8.164 8.164 7.712 0.452 17767 13813 1 20 . 1 1 117 117 THR N N 117 123.270 123.270 123.232 0.038 17767 13814 1 20 . 1 1 117 117 THR HA H 117 5.250 5.250 4.637 0.613 17767 13815 1 20 . 1 1 117 117 THR C C 117 173.800 173.800 173.479 0.321 17767 13816 1 20 . 1 1 117 117 THR CA C 117 61.900 61.900 62.099 -0.199 17767 13817 1 20 . 1 1 117 117 THR CB C 117 70.450 70.450 68.678 1.772 17767 13818 1 20 . 1 1 117 117 THR H H 117 8.770 8.770 8.575 0.195 17767 13819 1 20 . 1 1 118 118 LEU N N 118 132.800 132.800 129.166 3.634 17767 13820 1 20 . 1 1 118 118 LEU HA H 118 4.880 4.880 4.554 0.326 17767 13821 1 20 . 1 1 118 118 LEU C C 118 175.200 175.200 174.444 0.756 17767 13822 1 20 . 1 1 118 118 LEU CA C 118 53.570 53.570 53.492 0.078 17767 13823 1 20 . 1 1 118 118 LEU CB C 118 44.730 44.730 43.224 1.506 17767 13824 1 20 . 1 1 118 118 LEU H H 118 9.700 9.700 7.892 1.808 17767 13825 1 20 . 1 1 119 119 ILE N N 119 124.980 124.980 128.590 -3.610 17767 13826 1 20 . 1 1 119 119 ILE HA H 119 5.240 5.240 4.438 0.802 17767 13827 1 20 . 1 1 119 119 ILE C C 119 175.900 175.900 174.958 0.942 17767 13828 1 20 . 1 1 119 119 ILE CA C 119 59.340 59.340 60.842 -1.502 17767 13829 1 20 . 1 1 119 119 ILE CB C 119 39.550 39.550 38.900 0.650 17767 13830 1 20 . 1 1 119 119 ILE H H 119 7.800 7.800 8.176 -0.376 17767 13831 1 20 . 1 1 120 120 ARG N N 120 126.110 126.110 123.953 2.157 17767 13832 1 20 . 1 1 120 120 ARG HA H 120 5.040 5.040 4.688 0.352 17767 13833 1 20 . 1 1 120 120 ARG C C 120 175.300 175.300 174.425 0.875 17767 13834 1 20 . 1 1 120 120 ARG CA C 120 54.990 54.990 54.060 0.930 17767 13835 1 20 . 1 1 120 120 ARG CB C 120 34.760 34.760 34.480 0.280 17767 13836 1 20 . 1 1 120 120 ARG H H 120 9.400 9.400 8.968 0.432 17767 13837 1 20 . 1 1 121 121 ARG N N 121 126.600 126.600 120.574 6.026 17767 13838 1 20 . 1 1 121 121 ARG HA H 121 5.350 5.350 4.798 0.552 17767 13839 1 20 . 1 1 121 121 ARG C C 121 175.020 175.020 174.842 0.178 17767 13840 1 20 . 1 1 121 121 ARG CA C 121 55.250 55.250 54.890 0.360 17767 13841 1 20 . 1 1 121 121 ARG CB C 121 31.830 31.830 32.549 -0.719 17767 13842 1 20 . 1 1 121 121 ARG H H 121 9.110 9.110 8.061 1.049 17767 13843 1 20 . 1 1 122 122 SER N N 122 118.200 118.200 118.733 -0.533 17767 13844 1 20 . 1 1 122 122 SER HA H 122 5.730 5.730 5.589 0.141 17767 13845 1 20 . 1 1 122 122 SER C C 122 173.010 173.010 173.987 -0.977 17767 13846 1 20 . 1 1 122 122 SER CA C 122 58.100 58.100 56.824 1.276 17767 13847 1 20 . 1 1 122 122 SER CB C 122 66.850 66.850 66.365 0.484 17767 13848 1 20 . 1 1 122 122 SER H H 122 9.290 9.290 9.273 0.017 17767 13849 1 20 . 1 1 123 123 LYS N N 123 120.480 120.480 121.797 -1.317 17767 13850 1 20 . 1 1 123 123 LYS HA H 123 5.780 5.780 5.237 0.543 17767 13851 1 20 . 1 1 123 123 LYS C C 123 175.600 175.600 175.708 -0.108 17767 13852 1 20 . 1 1 123 123 LYS CA C 123 54.130 54.130 54.748 -0.618 17767 13853 1 20 . 1 1 123 123 LYS CB C 123 36.330 36.330 36.783 -0.453 17767 13854 1 20 . 1 1 123 123 LYS H H 123 8.650 8.650 9.187 -0.537 17767 13855 1 20 . 1 1 124 124 ARG N N 124 124.980 124.980 124.992 -0.012 17767 13856 1 20 . 1 1 124 124 ARG HA H 124 3.940 3.940 4.534 -0.594 17767 13857 1 20 . 1 1 124 124 ARG C C 124 176.500 176.500 175.485 1.015 17767 13858 1 20 . 1 1 124 124 ARG CA C 124 56.900 56.900 57.011 -0.111 17767 13859 1 20 . 1 1 124 124 ARG CB C 124 30.380 30.380 31.002 -0.622 17767 13860 1 20 . 1 1 124 124 ARG H H 124 8.200 8.200 8.925 -0.725 17767 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 115 3.246 -0.143 3.257 17767 2 1 1 "Average Difference" HA 129 0.400 -0.162 0.368 17767 3 1 1 "Average Difference" C 113 0.744 -0.190 0.723 17767 4 1 1 "Average Difference" CA 122 1.189 -0.313 1.152 17767 5 1 1 "Average Difference" CB 114 2.608 -0.820 2.487 17767 6 1 1 "Average Difference" HN 115 0.552 -0.271 0.483 17767 7 1 2 "Average Difference" N 115 3.255 -0.214 3.262 17767 8 1 2 "Average Difference" HA 129 0.396 -0.165 0.362 17767 9 1 2 "Average Difference" C 113 0.790 -0.177 0.773 17767 10 1 2 "Average Difference" CA 122 1.154 -0.379 1.094 17767 11 1 2 "Average Difference" CB 114 2.509 -0.833 2.377 17767 12 1 2 "Average Difference" HN 115 0.592 -0.253 0.538 17767 13 1 3 "Average Difference" N 115 3.434 -0.356 3.430 17767 14 1 3 "Average Difference" HA 129 0.405 -0.182 0.364 17767 15 1 3 "Average Difference" C 113 0.798 -0.134 0.790 17767 16 1 3 "Average Difference" CA 122 1.174 -0.301 1.139 17767 17 1 3 "Average Difference" CB 114 2.512 -0.825 2.383 17767 18 1 3 "Average Difference" HN 115 0.621 -0.286 0.553 17767 19 1 4 "Average Difference" N 115 3.230 -0.125 3.242 17767 20 1 4 "Average Difference" HA 129 0.394 -0.163 0.360 17767 21 1 4 "Average Difference" C 113 0.757 -0.154 0.745 17767 22 1 4 "Average Difference" CA 122 1.082 -0.348 1.029 17767 23 1 4 "Average Difference" CB 114 2.659 -0.803 2.547 17767 24 1 4 "Average Difference" HN 115 0.559 -0.248 0.504 17767 25 1 5 "Average Difference" N 115 3.464 -0.365 3.460 17767 26 1 5 "Average Difference" HA 129 0.393 -0.174 0.354 17767 27 1 5 "Average Difference" C 113 0.817 -0.160 0.804 17767 28 1 5 "Average Difference" CA 122 1.159 -0.293 1.126 17767 29 1 5 "Average Difference" CB 114 2.612 -0.836 2.485 17767 30 1 5 "Average Difference" HN 115 0.609 -0.296 0.535 17767 31 1 6 "Average Difference" N 115 3.286 -0.311 3.285 17767 32 1 6 "Average Difference" HA 129 0.397 -0.172 0.359 17767 33 1 6 "Average Difference" C 113 0.761 -0.160 0.747 17767 34 1 6 "Average Difference" CA 122 1.175 -0.327 1.133 17767 35 1 6 "Average Difference" CB 114 2.479 -0.819 2.350 17767 36 1 6 "Average Difference" HN 115 0.537 -0.251 0.476 17767 37 1 7 "Average Difference" N 115 3.253 -0.228 3.259 17767 38 1 7 "Average Difference" HA 129 0.404 -0.174 0.366 17767 39 1 7 "Average Difference" C 113 0.800 -0.155 0.788 17767 40 1 7 "Average Difference" CA 122 1.135 -0.278 1.104 17767 41 1 7 "Average Difference" CB 114 2.415 -0.776 2.297 17767 42 1 7 "Average Difference" HN 115 0.588 -0.255 0.532 17767 43 1 8 "Average Difference" N 115 3.231 -0.213 3.239 17767 44 1 8 "Average Difference" HA 129 0.400 -0.182 0.357 17767 45 1 8 "Average Difference" C 113 0.784 -0.177 0.768 17767 46 1 8 "Average Difference" CA 122 1.188 -0.297 1.155 17767 47 1 8 "Average Difference" CB 114 2.529 -0.920 2.366 17767 48 1 8 "Average Difference" HN 115 0.606 -0.266 0.547 17767 49 1 9 "Average Difference" N 115 3.159 -0.107 3.171 17767 50 1 9 "Average Difference" HA 129 0.403 -0.192 0.355 17767 51 1 9 "Average Difference" C 113 0.744 -0.176 0.726 17767 52 1 9 "Average Difference" CA 122 1.146 -0.289 1.113 17767 53 1 9 "Average Difference" CB 114 2.419 -0.863 2.270 17767 54 1 9 "Average Difference" HN 115 0.539 -0.269 0.469 17767 55 1 10 "Average Difference" N 115 3.060 0.150 3.070 17767 56 1 10 "Average Difference" HA 129 0.390 -0.169 0.353 17767 57 1 10 "Average Difference" C 113 0.765 -0.149 0.754 17767 58 1 10 "Average Difference" CA 122 1.111 -0.291 1.076 17767 59 1 10 "Average Difference" CB 114 2.765 -0.831 2.649 17767 60 1 10 "Average Difference" HN 115 0.610 -0.253 0.557 17767 61 1 11 "Average Difference" N 115 3.047 -0.218 3.053 17767 62 1 11 "Average Difference" HA 129 0.396 -0.170 0.360 17767 63 1 11 "Average Difference" C 113 0.772 -0.131 0.764 17767 64 1 11 "Average Difference" CA 122 1.070 -0.270 1.039 17767 65 1 11 "Average Difference" CB 114 2.557 -0.822 2.432 17767 66 1 11 "Average Difference" HN 115 0.606 -0.295 0.532 17767 67 1 12 "Average Difference" N 115 3.127 -0.145 3.137 17767 68 1 12 "Average Difference" HA 129 0.403 -0.182 0.361 17767 69 1 12 "Average Difference" C 113 0.822 -0.166 0.809 17767 70 1 12 "Average Difference" CA 122 1.134 -0.297 1.099 17767 71 1 12 "Average Difference" CB 114 2.525 -0.897 2.370 17767 72 1 12 "Average Difference" HN 115 0.588 -0.280 0.519 17767 73 1 13 "Average Difference" N 115 3.280 -0.288 3.282 17767 74 1 13 "Average Difference" HA 129 0.408 -0.175 0.370 17767 75 1 13 "Average Difference" C 113 0.791 -0.134 0.783 17767 76 1 13 "Average Difference" CA 122 1.157 -0.293 1.123 17767 77 1 13 "Average Difference" CB 114 2.569 -0.916 2.411 17767 78 1 13 "Average Difference" HN 115 0.622 -0.287 0.554 17767 79 1 14 "Average Difference" N 115 3.378 -0.343 3.375 17767 80 1 14 "Average Difference" HA 129 0.400 -0.170 0.363 17767 81 1 14 "Average Difference" C 113 0.759 -0.186 0.739 17767 82 1 14 "Average Difference" CA 122 1.059 -0.292 1.022 17767 83 1 14 "Average Difference" CB 114 2.592 -0.852 2.458 17767 84 1 14 "Average Difference" HN 115 0.583 -0.252 0.528 17767 85 1 15 "Average Difference" N 115 2.904 -0.387 2.891 17767 86 1 15 "Average Difference" HA 129 0.416 -0.175 0.379 17767 87 1 15 "Average Difference" C 113 0.763 -0.232 0.731 17767 88 1 15 "Average Difference" CA 122 1.095 -0.343 1.044 17767 89 1 15 "Average Difference" CB 114 2.423 -0.764 2.309 17767 90 1 15 "Average Difference" HN 115 0.599 -0.282 0.531 17767 91 1 16 "Average Difference" N 115 3.048 -0.092 3.060 17767 92 1 16 "Average Difference" HA 129 0.401 -0.184 0.358 17767 93 1 16 "Average Difference" C 113 0.720 -0.147 0.708 17767 94 1 16 "Average Difference" CA 122 1.139 -0.305 1.102 17767 95 1 16 "Average Difference" CB 114 2.635 -0.930 2.476 17767 96 1 16 "Average Difference" HN 115 0.616 -0.330 0.522 17767 97 1 17 "Average Difference" N 115 3.365 -0.369 3.359 17767 98 1 17 "Average Difference" HA 129 0.423 -0.188 0.380 17767 99 1 17 "Average Difference" C 113 0.765 -0.155 0.752 17767 100 1 17 "Average Difference" CA 122 1.177 -0.242 1.157 17767 101 1 17 "Average Difference" CB 114 2.479 -0.845 2.341 17767 102 1 17 "Average Difference" HN 115 0.618 -0.299 0.544 17767 103 1 18 "Average Difference" N 115 3.184 -0.195 3.192 17767 104 1 18 "Average Difference" HA 129 0.404 -0.177 0.364 17767 105 1 18 "Average Difference" C 113 0.823 -0.198 0.803 17767 106 1 18 "Average Difference" CA 122 1.120 -0.313 1.080 17767 107 1 18 "Average Difference" CB 114 2.650 -0.853 2.520 17767 108 1 18 "Average Difference" HN 115 0.582 -0.287 0.509 17767 109 1 19 "Average Difference" N 115 2.842 -0.042 2.855 17767 110 1 19 "Average Difference" HA 129 0.405 -0.191 0.358 17767 111 1 19 "Average Difference" C 113 0.780 -0.189 0.760 17767 112 1 19 "Average Difference" CA 122 1.118 -0.267 1.090 17767 113 1 19 "Average Difference" CB 114 2.566 -0.908 2.411 17767 114 1 19 "Average Difference" HN 115 0.582 -0.281 0.512 17767 115 1 20 "Average Difference" N 115 3.236 -0.077 3.249 17767 116 1 20 "Average Difference" HA 129 0.396 -0.154 0.367 17767 117 1 20 "Average Difference" C 113 0.806 -0.194 0.786 17767 118 1 20 "Average Difference" CA 122 1.117 -0.362 1.061 17767 119 1 20 "Average Difference" CB 114 2.733 -0.758 2.638 17767 120 1 20 "Average Difference" HN 115 0.592 -0.255 0.536 17767 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 17767 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 PHE HA H 2 4.460 4.460 4.773 -0.313 17767 2 1 . 1 1 2 2 PHE C C 2 175.900 175.900 176.336 -0.436 17767 3 1 . 1 1 2 2 PHE CA C 2 61.170 61.170 58.898 2.272 17767 4 1 . 1 1 2 2 PHE CB C 2 40.690 40.690 39.892 0.798 17767 5 1 . 1 1 3 3 SER N N 3 111.380 111.380 115.289 -3.909 17767 6 1 . 1 1 3 3 SER HA H 3 4.420 4.420 4.381 0.039 17767 7 1 . 1 1 3 3 SER C C 3 174.700 174.700 174.811 -0.111 17767 8 1 . 1 1 3 3 SER CA C 3 60.000 60.000 59.559 0.441 17767 9 1 . 1 1 3 3 SER CB C 3 64.140 64.140 62.466 1.674 17767 10 1 . 1 1 3 3 SER H H 3 7.968 7.968 8.088 -0.120 17767 11 1 . 1 1 4 4 GLY N N 4 111.480 111.480 112.525 -1.046 17767 12 1 . 1 1 4 4 GLY C C 4 171.800 171.800 171.468 0.332 17767 13 1 . 1 1 4 4 GLY CA C 4 44.150 44.150 45.433 -1.283 17767 14 1 . 1 1 4 4 GLY H H 4 9.080 9.080 8.484 0.596 17767 15 1 . 1 1 5 5 THR N N 5 117.770 117.770 113.217 4.553 17767 16 1 . 1 1 5 5 THR HA H 5 4.980 4.980 5.005 -0.025 17767 17 1 . 1 1 5 5 THR C C 5 173.190 173.190 173.026 0.164 17767 18 1 . 1 1 5 5 THR CA C 5 62.930 62.930 60.533 2.397 17767 19 1 . 1 1 5 5 THR CB C 5 69.310 69.310 70.422 -1.112 17767 20 1 . 1 1 5 5 THR H H 5 8.270 8.270 7.714 0.556 17767 21 1 . 1 1 6 6 TRP N N 6 127.500 127.500 126.104 1.396 17767 22 1 . 1 1 6 6 TRP HA H 6 5.130 5.130 5.298 -0.168 17767 23 1 . 1 1 6 6 TRP CA C 6 55.300 55.300 55.521 -0.221 17767 24 1 . 1 1 6 6 TRP CB C 6 32.290 32.290 31.467 0.823 17767 25 1 . 1 1 6 6 TRP H H 6 9.560 9.560 8.859 0.701 17767 26 1 . 1 1 7 7 GLN HA H 7 4.970 4.970 4.770 0.200 17767 27 1 . 1 1 7 7 GLN C C 7 175.900 175.900 174.947 0.953 17767 28 1 . 1 1 7 7 GLN CA C 7 54.720 54.720 54.651 0.069 17767 29 1 . 1 1 7 7 GLN CB C 7 32.400 32.400 30.812 1.588 17767 30 1 . 1 1 8 8 VAL N N 8 131.400 131.400 127.911 3.489 17767 31 1 . 1 1 8 8 VAL HA H 8 4.450 4.450 4.667 -0.217 17767 32 1 . 1 1 8 8 VAL CA C 8 63.500 63.500 62.038 1.462 17767 33 1 . 1 1 8 8 VAL CB C 8 32.300 32.300 32.631 -0.331 17767 34 1 . 1 1 8 8 VAL H H 8 8.270 8.270 8.523 -0.253 17767 35 1 . 1 1 9 9 TYR N N 9 123.300 123.300 122.170 1.130 17767 36 1 . 1 1 9 9 TYR HA H 9 5.140 5.140 4.881 0.259 17767 37 1 . 1 1 9 9 TYR C C 9 174.600 174.600 173.343 1.257 17767 38 1 . 1 1 9 9 TYR CA C 9 56.600 56.600 56.196 0.404 17767 39 1 . 1 1 9 9 TYR CB C 9 40.880 40.880 40.091 0.789 17767 40 1 . 1 1 9 9 TYR H H 9 9.570 9.570 9.078 0.492 17767 41 1 . 1 1 10 10 ALA N N 10 125.800 125.800 126.107 -0.307 17767 42 1 . 1 1 10 10 ALA HA H 10 4.680 4.680 4.492 0.188 17767 43 1 . 1 1 10 10 ALA C C 10 175.200 175.200 175.570 -0.370 17767 44 1 . 1 1 10 10 ALA CA C 10 51.780 51.780 52.148 -0.368 17767 45 1 . 1 1 10 10 ALA CB C 10 22.070 22.070 21.069 1.001 17767 46 1 . 1 1 10 10 ALA H H 10 7.330 7.330 8.021 -0.691 17767 47 1 . 1 1 11 11 GLN N N 11 118.300 118.300 119.421 -1.121 17767 48 1 . 1 1 11 11 GLN HA H 11 5.370 5.370 4.637 0.733 17767 49 1 . 1 1 11 11 GLN C C 11 174.700 174.700 175.303 -0.603 17767 50 1 . 1 1 11 11 GLN CA C 11 54.460 54.460 55.284 -0.824 17767 51 1 . 1 1 11 11 GLN CB C 11 32.870 32.870 29.264 3.606 17767 52 1 . 1 1 11 11 GLN H H 11 8.700 8.700 8.560 0.140 17767 53 1 . 1 1 12 12 GLU N N 12 123.800 123.800 121.475 2.325 17767 54 1 . 1 1 12 12 GLU HA H 12 4.600 4.600 4.498 0.102 17767 55 1 . 1 1 12 12 GLU C C 12 175.700 175.700 176.783 -1.083 17767 56 1 . 1 1 12 12 GLU CA C 12 55.300 55.300 55.277 0.023 17767 57 1 . 1 1 12 12 GLU CB C 12 31.760 31.760 30.700 1.060 17767 58 1 . 1 1 12 12 GLU H H 12 9.130 9.130 8.451 0.679 17767 59 1 . 1 1 13 13 ASN N N 13 117.550 117.550 119.696 -2.146 17767 60 1 . 1 1 13 13 ASN HA H 13 4.790 4.790 4.657 0.133 17767 61 1 . 1 1 13 13 ASN C C 13 175.600 175.600 175.173 0.427 17767 62 1 . 1 1 13 13 ASN CA C 13 54.100 54.100 53.580 0.520 17767 63 1 . 1 1 13 13 ASN CB C 13 37.100 37.100 36.829 0.271 17767 64 1 . 1 1 13 13 ASN H H 13 9.130 9.130 8.919 0.211 17767 65 1 . 1 1 14 14 TYR N N 14 118.280 118.280 122.902 -4.622 17767 66 1 . 1 1 14 14 TYR HA H 14 4.360 4.360 4.238 0.122 17767 67 1 . 1 1 14 14 TYR C C 14 176.500 176.500 176.629 -0.129 17767 68 1 . 1 1 14 14 TYR CA C 14 60.590 60.590 62.517 -1.927 17767 69 1 . 1 1 14 14 TYR CB C 14 39.450 39.450 39.233 0.217 17767 70 1 . 1 1 14 14 TYR H H 14 7.900 7.900 8.286 -0.386 17767 71 1 . 1 1 15 15 GLU N N 15 118.600 118.600 118.093 0.507 17767 72 1 . 1 1 15 15 GLU HA H 15 3.550 3.550 4.024 -0.474 17767 73 1 . 1 1 15 15 GLU C C 15 178.500 178.500 178.526 -0.026 17767 74 1 . 1 1 15 15 GLU CA C 15 61.170 61.170 59.667 1.503 17767 75 1 . 1 1 15 15 GLU CB C 15 28.700 28.700 28.732 -0.032 17767 76 1 . 1 1 15 15 GLU H H 15 8.960 8.960 9.129 -0.169 17767 77 1 . 1 1 16 16 GLU N N 16 118.800 118.800 119.461 -0.661 17767 78 1 . 1 1 16 16 GLU HA H 16 3.880 3.880 4.137 -0.257 17767 79 1 . 1 1 16 16 GLU C C 16 178.600 178.600 178.428 0.172 17767 80 1 . 1 1 16 16 GLU CA C 16 60.300 60.300 58.651 1.649 17767 81 1 . 1 1 16 16 GLU CB C 16 28.600 28.600 29.409 -0.809 17767 82 1 . 1 1 16 16 GLU H H 16 9.090 9.090 8.421 0.669 17767 83 1 . 1 1 17 17 PHE N N 17 124.200 124.200 120.654 3.546 17767 84 1 . 1 1 17 17 PHE HA H 17 3.960 3.960 4.248 -0.288 17767 85 1 . 1 1 17 17 PHE C C 17 176.400 176.400 177.194 -0.794 17767 86 1 . 1 1 17 17 PHE CA C 17 62.350 62.350 59.595 2.755 17767 87 1 . 1 1 17 17 PHE CB C 17 40.380 40.380 38.899 1.481 17767 88 1 . 1 1 17 17 PHE H H 17 8.410 8.410 7.717 0.693 17767 89 1 . 1 1 18 18 LEU N N 18 116.400 116.400 118.819 -2.419 17767 90 1 . 1 1 18 18 LEU HA H 18 3.780 3.780 3.478 0.302 17767 91 1 . 1 1 18 18 LEU C C 18 178.800 178.800 178.540 0.260 17767 92 1 . 1 1 18 18 LEU CA C 18 58.240 58.240 57.832 0.408 17767 93 1 . 1 1 18 18 LEU CB C 18 41.220 41.220 41.092 0.128 17767 94 1 . 1 1 18 18 LEU H H 18 8.200 8.200 7.766 0.434 17767 95 1 . 1 1 19 19 LYS N N 19 116.590 116.590 116.685 -0.095 17767 96 1 . 1 1 19 19 LYS HA H 19 4.040 4.040 4.084 -0.044 17767 97 1 . 1 1 19 19 LYS C C 19 179.800 179.800 178.822 0.978 17767 98 1 . 1 1 19 19 LYS CA C 19 58.820 58.820 58.709 0.111 17767 99 1 . 1 1 19 19 LYS CB C 19 32.150 32.150 31.990 0.160 17767 100 1 . 1 1 19 19 LYS H H 19 7.790 7.790 7.624 0.166 17767 101 1 . 1 1 20 20 ALA N N 20 126.110 126.110 120.719 5.391 17767 102 1 . 1 1 20 20 ALA HA H 20 4.160 4.160 4.280 -0.120 17767 103 1 . 1 1 20 20 ALA C C 20 178.600 178.600 178.008 0.592 17767 104 1 . 1 1 20 20 ALA CA C 20 55.300 55.300 53.654 1.646 17767 105 1 . 1 1 20 20 ALA CB C 20 17.700 17.700 18.762 -1.062 17767 106 1 . 1 1 20 20 ALA H H 20 7.990 7.990 7.405 0.585 17767 107 1 . 1 1 21 21 LEU N N 21 117.110 117.110 117.044 0.066 17767 108 1 . 1 1 21 21 LEU HA H 21 3.688 3.688 4.313 -0.625 17767 109 1 . 1 1 21 21 LEU C C 21 176.100 176.100 175.961 0.139 17767 110 1 . 1 1 21 21 LEU CA C 21 55.400 55.400 53.776 1.624 17767 111 1 . 1 1 21 21 LEU CB C 21 42.700 42.700 41.597 1.103 17767 112 1 . 1 1 21 21 LEU H H 21 7.380 7.380 7.077 0.303 17767 113 1 . 1 1 22 22 ALA N N 22 118.800 118.800 119.180 -0.380 17767 114 1 . 1 1 22 22 ALA HA H 22 3.985 3.985 3.952 0.033 17767 115 1 . 1 1 22 22 ALA C C 22 177.000 177.000 176.817 0.183 17767 116 1 . 1 1 22 22 ALA CA C 22 52.370 52.370 52.653 -0.283 17767 117 1 . 1 1 22 22 ALA CB C 22 15.960 15.960 16.751 -0.791 17767 118 1 . 1 1 22 22 ALA H H 22 7.920 7.920 7.317 0.603 17767 119 1 . 1 1 23 23 LEU N N 23 118.470 118.470 119.344 -0.874 17767 120 1 . 1 1 23 23 LEU HA H 23 4.425 4.425 4.445 -0.020 17767 121 1 . 1 1 23 23 LEU C C 23 174.500 174.500 175.011 -0.511 17767 122 1 . 1 1 23 23 LEU CA C 23 54.130 54.130 52.391 1.739 17767 123 1 . 1 1 23 23 LEU CB C 23 41.220 41.220 42.261 -1.041 17767 124 1 . 1 1 23 23 LEU H H 23 6.950 6.950 7.403 -0.453 17767 125 1 . 1 1 24 24 PRO HA H 24 4.475 4.475 4.509 -0.034 17767 126 1 . 1 1 24 24 PRO C C 24 177.500 177.500 177.419 0.081 17767 127 1 . 1 1 24 24 PRO CA C 24 62.940 62.940 62.515 0.425 17767 128 1 . 1 1 24 24 PRO CB C 24 32.600 32.600 32.380 0.220 17767 129 1 . 1 1 25 25 GLU N N 25 122.500 122.500 123.725 -1.225 17767 130 1 . 1 1 25 25 GLU HA H 25 3.860 3.860 3.858 0.002 17767 131 1 . 1 1 25 25 GLU C C 25 177.900 177.900 178.118 -0.218 17767 132 1 . 1 1 25 25 GLU CA C 25 60.100 60.100 60.112 -0.012 17767 133 1 . 1 1 25 25 GLU CB C 25 29.690 29.690 29.325 0.365 17767 134 1 . 1 1 25 25 GLU H H 25 8.840 8.840 8.932 -0.092 17767 135 1 . 1 1 26 26 ASP N N 26 117.110 117.110 118.244 -1.134 17767 136 1 . 1 1 26 26 ASP HA H 26 4.360 4.360 4.424 -0.064 17767 137 1 . 1 1 26 26 ASP C C 26 177.900 177.900 178.405 -0.505 17767 138 1 . 1 1 26 26 ASP CA C 26 57.080 57.080 56.725 0.355 17767 139 1 . 1 1 26 26 ASP CB C 26 40.040 40.040 40.374 -0.334 17767 140 1 . 1 1 26 26 ASP H H 26 8.920 8.920 8.473 0.447 17767 141 1 . 1 1 27 27 LEU N N 27 121.990 121.990 120.934 1.056 17767 142 1 . 1 1 27 27 LEU HA H 27 4.270 4.270 4.183 0.087 17767 143 1 . 1 1 27 27 LEU C C 27 178.070 178.070 178.364 -0.294 17767 144 1 . 1 1 27 27 LEU CA C 27 57.650 57.650 57.179 0.471 17767 145 1 . 1 1 27 27 LEU CB C 27 42.230 42.230 42.333 -0.104 17767 146 1 . 1 1 27 27 LEU H H 27 7.220 7.220 7.500 -0.280 17767 147 1 . 1 1 28 28 ILE N N 28 120.350 120.350 119.269 1.081 17767 148 1 . 1 1 28 28 ILE HA H 28 3.317 3.317 3.585 -0.268 17767 149 1 . 1 1 28 28 ILE C C 28 177.400 177.400 177.945 -0.545 17767 150 1 . 1 1 28 28 ILE CA C 28 67.040 67.040 65.234 1.806 17767 151 1 . 1 1 28 28 ILE CB C 28 37.110 37.110 37.401 -0.291 17767 152 1 . 1 1 28 28 ILE H H 28 7.900 7.900 8.140 -0.240 17767 153 1 . 1 1 29 29 LYS N N 29 117.110 117.110 118.371 -1.261 17767 154 1 . 1 1 29 29 LYS HA H 29 3.947 3.947 4.138 -0.191 17767 155 1 . 1 1 29 29 LYS C C 29 178.900 178.900 177.927 0.973 17767 156 1 . 1 1 29 29 LYS CA C 29 60.000 60.000 58.921 1.079 17767 157 1 . 1 1 29 29 LYS CB C 29 32.390 32.390 32.443 -0.053 17767 158 1 . 1 1 29 29 LYS H H 29 7.850 7.850 7.724 0.126 17767 159 1 . 1 1 30 30 MET N N 30 117.110 117.110 117.406 -0.296 17767 160 1 . 1 1 30 30 MET HA H 30 4.320 4.320 4.443 -0.123 17767 161 1 . 1 1 30 30 MET C C 30 177.500 177.500 178.264 -0.764 17767 162 1 . 1 1 30 30 MET CA C 30 57.650 57.650 57.795 -0.145 17767 163 1 . 1 1 30 30 MET CB C 30 32.970 32.970 33.235 -0.265 17767 164 1 . 1 1 30 30 MET H H 30 7.450 7.450 7.500 -0.050 17767 165 1 . 1 1 31 31 ALA N N 31 120.480 120.480 122.348 -1.868 17767 166 1 . 1 1 31 31 ALA HA H 31 4.270 4.270 4.123 0.147 17767 167 1 . 1 1 31 31 ALA CA C 31 53.545 53.545 55.005 -1.459 17767 168 1 . 1 1 31 31 ALA CB C 31 19.290 19.290 18.465 0.825 17767 169 1 . 1 1 31 31 ALA H H 31 8.420 8.420 8.687 -0.267 17767 170 1 . 1 1 32 32 ARG N N 32 122.170 122.170 115.915 6.255 17767 171 1 . 1 1 32 32 ARG HA H 32 4.109 4.109 3.917 0.192 17767 172 1 . 1 1 32 32 ARG C C 32 176.500 176.500 176.800 -0.300 17767 173 1 . 1 1 32 32 ARG CA C 32 61.170 61.170 58.478 2.692 17767 174 1 . 1 1 32 32 ARG CB C 32 30.600 30.600 29.974 0.626 17767 175 1 . 1 1 32 32 ARG H H 32 7.770 7.770 7.719 0.051 17767 176 1 . 1 1 33 33 ASP N N 33 116.550 116.550 117.437 -0.887 17767 177 1 . 1 1 33 33 ASP HA H 33 4.920 4.920 4.673 0.247 17767 178 1 . 1 1 33 33 ASP C C 33 175.900 175.900 175.715 0.185 17767 179 1 . 1 1 33 33 ASP CA C 33 54.130 54.130 54.107 0.023 17767 180 1 . 1 1 33 33 ASP CB C 33 41.760 41.760 42.636 -0.876 17767 181 1 . 1 1 33 33 ASP H H 33 8.330 8.330 7.804 0.526 17767 182 1 . 1 1 34 34 ILE N N 34 120.060 120.060 122.014 -1.954 17767 183 1 . 1 1 34 34 ILE HA H 34 4.120 4.120 4.035 0.085 17767 184 1 . 1 1 34 34 ILE C C 34 176.100 176.100 174.942 1.158 17767 185 1 . 1 1 34 34 ILE CA C 34 61.170 61.170 61.896 -0.726 17767 186 1 . 1 1 34 34 ILE CB C 34 37.860 37.860 37.715 0.145 17767 187 1 . 1 1 34 34 ILE H H 34 7.240 7.240 7.440 -0.200 17767 188 1 . 1 1 35 35 LYS N N 35 131.170 131.170 127.588 3.582 17767 189 1 . 1 1 35 35 LYS HA H 35 4.700 4.700 4.820 -0.120 17767 190 1 . 1 1 35 35 LYS C C 35 173.700 173.700 174.487 -0.787 17767 191 1 . 1 1 35 35 LYS CA C 35 52.970 52.970 54.037 -1.067 17767 192 1 . 1 1 35 35 LYS CB C 35 32.750 32.750 32.491 0.259 17767 193 1 . 1 1 35 35 LYS H H 35 8.980 8.980 8.311 0.669 17767 194 1 . 1 1 36 36 PRO HA H 36 4.510 4.510 4.491 0.019 17767 195 1 . 1 1 36 36 PRO CA C 36 63.523 63.523 62.311 1.212 17767 196 1 . 1 1 36 36 PRO CB C 36 32.840 32.840 32.879 -0.039 17767 197 1 . 1 1 37 37 ILE HA H 37 4.920 4.920 4.285 0.635 17767 198 1 . 1 1 37 37 ILE C C 37 175.500 175.500 175.272 0.228 17767 199 1 . 1 1 37 37 ILE CA C 37 60.588 60.588 59.853 0.735 17767 200 1 . 1 1 37 37 ILE CB C 37 40.630 40.630 39.715 0.915 17767 201 1 . 1 1 38 38 VAL N N 38 129.000 129.000 129.426 -0.426 17767 202 1 . 1 1 38 38 VAL HA H 38 5.120 5.120 4.274 0.846 17767 203 1 . 1 1 38 38 VAL C C 38 175.100 175.100 175.012 0.087 17767 204 1 . 1 1 38 38 VAL CA C 38 61.176 61.176 61.566 -0.390 17767 205 1 . 1 1 38 38 VAL CB C 38 34.850 34.850 31.866 2.984 17767 206 1 . 1 1 38 38 VAL H H 38 9.540 9.540 9.105 0.435 17767 207 1 . 1 1 39 39 GLU N N 39 128.350 128.350 129.176 -0.826 17767 208 1 . 1 1 39 39 GLU HA H 39 5.440 5.440 4.613 0.827 17767 209 1 . 1 1 39 39 GLU C C 39 176.000 176.000 174.713 1.287 17767 210 1 . 1 1 39 39 GLU CA C 39 54.720 54.720 56.552 -1.832 17767 211 1 . 1 1 39 39 GLU CB C 39 32.410 32.410 31.214 1.196 17767 212 1 . 1 1 39 39 GLU H H 39 9.590 9.590 8.295 1.295 17767 213 1 . 1 1 40 40 ILE N N 40 126.110 126.110 126.218 -0.108 17767 214 1 . 1 1 40 40 ILE HA H 40 5.050 5.050 5.091 -0.041 17767 215 1 . 1 1 40 40 ILE C C 40 175.800 175.800 173.202 2.598 17767 216 1 . 1 1 40 40 ILE CA C 40 61.330 61.330 58.878 2.452 17767 217 1 . 1 1 40 40 ILE CB C 40 40.160 40.160 42.067 -1.907 17767 218 1 . 1 1 40 40 ILE H H 40 9.630 9.630 8.546 1.084 17767 219 1 . 1 1 41 41 GLN N N 41 128.360 128.360 127.203 1.157 17767 220 1 . 1 1 41 41 GLN HA H 41 4.720 4.720 4.872 -0.152 17767 221 1 . 1 1 41 41 GLN C C 41 173.900 173.900 173.520 0.380 17767 222 1 . 1 1 41 41 GLN CA C 41 54.940 54.940 53.905 1.035 17767 223 1 . 1 1 41 41 GLN CB C 41 31.820 31.820 31.983 -0.163 17767 224 1 . 1 1 41 41 GLN H H 41 9.270 9.270 8.692 0.578 17767 225 1 . 1 1 42 42 GLN N N 42 126.110 126.110 122.555 3.555 17767 226 1 . 1 1 42 42 GLN HA H 42 4.380 4.380 4.593 -0.213 17767 227 1 . 1 1 42 42 GLN C C 42 174.700 174.700 175.032 -0.332 17767 228 1 . 1 1 42 42 GLN CA C 42 54.150 54.150 54.051 0.099 17767 229 1 . 1 1 42 42 GLN CB C 42 30.000 30.000 31.137 -1.137 17767 230 1 . 1 1 42 42 GLN H H 42 8.250 8.250 8.442 -0.193 17767 231 1 . 1 1 43 43 LYS N N 43 130.610 130.610 121.959 8.651 17767 232 1 . 1 1 43 43 LYS HA H 43 4.460 4.460 4.454 0.006 17767 233 1 . 1 1 43 43 LYS C C 43 176.030 176.030 175.924 0.106 17767 234 1 . 1 1 43 43 LYS CA C 43 55.306 55.306 55.828 -0.522 17767 235 1 . 1 1 43 43 LYS CB C 43 33.270 33.270 33.374 -0.104 17767 236 1 . 1 1 43 43 LYS H H 43 8.820 8.820 8.455 0.365 17767 237 1 . 1 1 44 44 GLY N N 44 117.110 117.110 112.923 4.187 17767 238 1 . 1 1 44 44 GLY C C 44 174.300 174.300 174.198 0.102 17767 239 1 . 1 1 44 44 GLY CA C 44 47.480 47.480 46.183 1.297 17767 240 1 . 1 1 44 44 GLY H H 44 8.940 8.940 8.505 0.435 17767 241 1 . 1 1 45 45 ASP N N 45 127.799 127.799 123.916 3.883 17767 242 1 . 1 1 45 45 ASP HA H 45 4.870 4.870 4.978 -0.108 17767 243 1 . 1 1 45 45 ASP C C 45 174.700 174.700 175.184 -0.484 17767 244 1 . 1 1 45 45 ASP CA C 45 54.719 54.719 54.485 0.234 17767 245 1 . 1 1 45 45 ASP CB C 45 41.270 41.270 42.660 -1.390 17767 246 1 . 1 1 45 45 ASP H H 45 8.870 8.870 8.424 0.446 17767 247 1 . 1 1 46 46 ASP N N 46 120.480 120.480 121.396 -0.916 17767 248 1 . 1 1 46 46 ASP HA H 46 5.230 5.230 5.400 -0.170 17767 249 1 . 1 1 46 46 ASP C C 46 175.070 175.070 174.804 0.266 17767 250 1 . 1 1 46 46 ASP CA C 46 54.132 54.132 54.786 -0.654 17767 251 1 . 1 1 46 46 ASP CB C 46 41.570 41.570 42.087 -0.517 17767 252 1 . 1 1 46 46 ASP H H 46 8.060 8.060 7.740 0.320 17767 253 1 . 1 1 47 47 PHE N N 47 122.730 122.730 122.327 0.403 17767 254 1 . 1 1 47 47 PHE HA H 47 5.090 5.090 4.905 0.185 17767 255 1 . 1 1 47 47 PHE C C 47 176.400 176.400 174.702 1.698 17767 256 1 . 1 1 47 47 PHE CA C 47 56.420 56.420 55.468 0.952 17767 257 1 . 1 1 47 47 PHE CB C 47 44.150 44.150 42.520 1.630 17767 258 1 . 1 1 47 47 PHE H H 47 9.296 9.296 9.125 0.171 17767 259 1 . 1 1 48 48 VAL N N 48 121.690 121.690 121.658 0.032 17767 260 1 . 1 1 48 48 VAL HA H 48 4.500 4.500 4.436 0.064 17767 261 1 . 1 1 48 48 VAL C C 48 175.700 175.700 174.652 1.048 17767 262 1 . 1 1 48 48 VAL CA C 48 62.930 62.930 61.576 1.354 17767 263 1 . 1 1 48 48 VAL CB C 48 34.670 34.670 33.158 1.512 17767 264 1 . 1 1 48 48 VAL H H 48 8.520 8.520 8.996 -0.476 17767 265 1 . 1 1 49 49 VAL N N 49 127.200 127.200 129.035 -1.835 17767 266 1 . 1 1 49 49 VAL HA H 49 5.250 5.250 4.638 0.612 17767 267 1 . 1 1 49 49 VAL C C 49 175.700 175.700 175.371 0.329 17767 268 1 . 1 1 49 49 VAL CA C 49 61.180 61.180 61.494 -0.314 17767 269 1 . 1 1 49 49 VAL CB C 49 34.660 34.660 33.005 1.655 17767 270 1 . 1 1 49 49 VAL H H 49 9.330 9.330 9.295 0.035 17767 271 1 . 1 1 50 50 THR N N 50 128.500 128.500 125.418 3.082 17767 272 1 . 1 1 50 50 THR HA H 50 5.430 5.430 5.002 0.428 17767 273 1 . 1 1 50 50 THR C C 50 173.810 173.810 173.583 0.227 17767 274 1 . 1 1 50 50 THR CA C 50 61.530 61.530 61.547 -0.017 17767 275 1 . 1 1 50 50 THR CB C 50 70.760 70.760 69.819 0.941 17767 276 1 . 1 1 50 50 THR H H 50 9.730 9.730 9.384 0.346 17767 277 1 . 1 1 51 51 SER N N 51 122.730 122.730 123.277 -0.547 17767 278 1 . 1 1 51 51 SER HA H 51 5.430 5.430 4.858 0.572 17767 279 1 . 1 1 51 51 SER C C 51 173.800 173.800 173.783 0.017 17767 280 1 . 1 1 51 51 SER CA C 51 57.060 57.060 56.988 0.072 17767 281 1 . 1 1 51 51 SER CB C 51 64.550 64.550 63.793 0.757 17767 282 1 . 1 1 51 51 SER H H 51 9.190 9.190 8.695 0.495 17767 283 1 . 1 1 52 52 LYS N N 52 125.550 125.550 127.582 -2.032 17767 284 1 . 1 1 52 52 LYS HA H 52 5.310 5.310 4.461 0.849 17767 285 1 . 1 1 52 52 LYS C C 52 175.900 175.900 175.919 -0.019 17767 286 1 . 1 1 52 52 LYS CA C 52 56.120 56.120 56.132 -0.012 17767 287 1 . 1 1 52 52 LYS CB C 52 36.130 36.130 33.497 2.633 17767 288 1 . 1 1 52 52 LYS H H 52 9.490 9.490 8.565 0.925 17767 289 1 . 1 1 53 53 THR N N 53 115.980 115.980 115.473 0.507 17767 290 1 . 1 1 53 53 THR HA H 53 5.024 5.024 4.804 0.220 17767 291 1 . 1 1 53 53 THR C C 53 173.400 173.400 173.246 0.154 17767 292 1 . 1 1 53 53 THR CA C 53 59.140 59.140 58.383 0.757 17767 293 1 . 1 1 53 53 THR CB C 53 69.300 69.300 70.404 -1.104 17767 294 1 . 1 1 53 53 THR H H 53 8.760 8.760 8.094 0.666 17767 295 1 . 1 1 54 54 PRO HA H 54 4.350 4.350 4.473 -0.123 17767 296 1 . 1 1 54 54 PRO C C 54 177.200 177.200 176.631 0.569 17767 297 1 . 1 1 54 54 PRO CA C 54 66.458 66.458 64.112 2.346 17767 298 1 . 1 1 54 54 PRO CB C 54 32.400 32.400 31.848 0.552 17767 299 1 . 1 1 55 55 ARG N N 55 111.480 111.480 116.678 -5.198 17767 300 1 . 1 1 55 55 ARG HA H 55 4.510 4.510 4.530 -0.020 17767 301 1 . 1 1 55 55 ARG C C 55 175.800 175.800 176.182 -0.382 17767 302 1 . 1 1 55 55 ARG CA C 55 55.893 55.893 56.424 -0.531 17767 303 1 . 1 1 55 55 ARG CB C 55 32.520 32.520 32.330 0.190 17767 304 1 . 1 1 55 55 ARG H H 55 8.010 8.010 7.747 0.263 17767 305 1 . 1 1 56 56 GLN N N 56 118.230 118.230 118.502 -0.272 17767 306 1 . 1 1 56 56 GLN HA H 56 4.830 4.830 4.548 0.282 17767 307 1 . 1 1 56 56 GLN C C 56 174.200 174.200 174.156 0.044 17767 308 1 . 1 1 56 56 GLN CA C 56 55.610 55.610 55.349 0.262 17767 309 1 . 1 1 56 56 GLN CB C 56 32.880 32.880 32.120 0.760 17767 310 1 . 1 1 56 56 GLN H H 56 7.530 7.530 8.271 -0.741 17767 311 1 . 1 1 57 57 THR N N 57 120.480 120.480 120.807 -0.327 17767 312 1 . 1 1 57 57 THR HA H 57 5.330 5.330 4.911 0.419 17767 313 1 . 1 1 57 57 THR C C 57 174.000 174.000 174.607 -0.607 17767 314 1 . 1 1 57 57 THR CA C 57 61.760 61.760 62.283 -0.523 17767 315 1 . 1 1 57 57 THR CB C 57 71.500 71.500 69.251 2.249 17767 316 1 . 1 1 57 57 THR H H 57 8.610 8.610 8.472 0.138 17767 317 1 . 1 1 58 58 VAL N N 58 125.200 125.200 123.710 1.490 17767 318 1 . 1 1 58 58 VAL HA H 58 4.540 4.540 4.594 -0.054 17767 319 1 . 1 1 58 58 VAL C C 58 174.400 174.400 174.555 -0.155 17767 320 1 . 1 1 58 58 VAL CA C 58 61.170 61.170 59.860 1.310 17767 321 1 . 1 1 58 58 VAL CB C 58 35.560 35.560 34.163 1.397 17767 322 1 . 1 1 58 58 VAL H H 58 8.830 8.830 8.533 0.297 17767 323 1 . 1 1 59 59 THR N N 59 125.500 125.500 118.463 7.037 17767 324 1 . 1 1 59 59 THR HA H 59 5.260 5.260 5.039 0.221 17767 325 1 . 1 1 59 59 THR C C 59 173.400 173.400 173.748 -0.348 17767 326 1 . 1 1 59 59 THR CA C 59 61.980 61.980 61.235 0.745 17767 327 1 . 1 1 59 59 THR CB C 59 71.150 71.150 70.436 0.714 17767 328 1 . 1 1 59 59 THR H H 59 8.870 8.870 8.310 0.560 17767 329 1 . 1 1 60 60 ASN N N 60 124.700 124.700 125.924 -1.224 17767 330 1 . 1 1 60 60 ASN HA H 60 5.270 5.270 5.063 0.207 17767 331 1 . 1 1 60 60 ASN C C 60 173.300 173.300 173.697 -0.397 17767 332 1 . 1 1 60 60 ASN CA C 60 53.000 53.000 52.721 0.279 17767 333 1 . 1 1 60 60 ASN CB C 60 44.700 44.700 41.904 2.797 17767 334 1 . 1 1 60 60 ASN H H 60 9.180 9.180 9.129 0.052 17767 335 1 . 1 1 61 61 SER N N 61 115.980 115.980 118.589 -2.609 17767 336 1 . 1 1 61 61 SER HA H 61 5.430 5.430 5.475 -0.045 17767 337 1 . 1 1 61 61 SER C C 61 173.300 173.300 173.329 -0.029 17767 338 1 . 1 1 61 61 SER CA C 61 57.060 57.060 56.739 0.321 17767 339 1 . 1 1 61 61 SER CB C 61 65.590 65.590 66.111 -0.521 17767 340 1 . 1 1 61 61 SER H H 61 8.840 8.840 8.674 0.166 17767 341 1 . 1 1 62 62 PHE N N 62 117.670 117.670 117.582 0.088 17767 342 1 . 1 1 62 62 PHE HA H 62 5.020 5.020 4.935 0.085 17767 343 1 . 1 1 62 62 PHE C C 62 173.100 173.100 173.263 -0.163 17767 344 1 . 1 1 62 62 PHE CA C 62 56.590 56.590 56.624 -0.034 17767 345 1 . 1 1 62 62 PHE CB C 62 40.030 40.030 40.491 -0.461 17767 346 1 . 1 1 62 62 PHE H H 62 8.235 8.235 8.639 -0.404 17767 347 1 . 1 1 63 63 THR N N 63 119.920 119.920 116.210 3.710 17767 348 1 . 1 1 63 63 THR HA H 63 5.500 5.500 5.095 0.405 17767 349 1 . 1 1 63 63 THR C C 63 175.600 175.600 174.591 1.009 17767 350 1 . 1 1 63 63 THR CA C 63 61.170 61.170 61.357 -0.187 17767 351 1 . 1 1 63 63 THR CB C 63 72.320 72.320 70.680 1.640 17767 352 1 . 1 1 63 63 THR H H 63 9.650 9.650 8.741 0.909 17767 353 1 . 1 1 64 64 LEU N N 64 126.300 126.300 127.700 -1.400 17767 354 1 . 1 1 64 64 LEU HA H 64 4.430 4.430 3.933 0.497 17767 355 1 . 1 1 64 64 LEU C C 64 178.000 178.000 178.386 -0.386 17767 356 1 . 1 1 64 64 LEU CA C 64 56.100 56.100 56.221 -0.121 17767 357 1 . 1 1 64 64 LEU CB C 64 41.330 41.330 40.693 0.637 17767 358 1 . 1 1 64 64 LEU H H 64 9.280 9.280 9.031 0.249 17767 359 1 . 1 1 65 65 GLY N N 65 107.520 107.520 112.493 -4.973 17767 360 1 . 1 1 65 65 GLY C C 65 173.800 173.800 173.644 0.156 17767 361 1 . 1 1 65 65 GLY CA C 65 45.780 45.780 44.997 0.783 17767 362 1 . 1 1 65 65 GLY H H 65 9.110 9.110 9.018 0.092 17767 363 1 . 1 1 66 66 LYS N N 66 121.600 121.600 120.301 1.299 17767 364 1 . 1 1 66 66 LYS HA H 66 4.780 4.780 4.585 0.195 17767 365 1 . 1 1 66 66 LYS C C 66 175.600 175.600 175.033 0.567 17767 366 1 . 1 1 66 66 LYS CA C 66 54.100 54.100 54.507 -0.407 17767 367 1 . 1 1 66 66 LYS CB C 66 34.620 34.620 35.567 -0.947 17767 368 1 . 1 1 66 66 LYS H H 66 7.910 7.910 7.946 -0.036 17767 369 1 . 1 1 67 67 GLU N N 67 129.400 129.400 123.235 6.165 17767 370 1 . 1 1 67 67 GLU HA H 67 4.070 4.070 4.328 -0.258 17767 371 1 . 1 1 67 67 GLU C C 67 175.030 175.030 175.466 -0.436 17767 372 1 . 1 1 67 67 GLU CA C 67 59.220 59.220 56.295 2.925 17767 373 1 . 1 1 67 67 GLU CB C 67 30.400 30.400 30.355 0.045 17767 374 1 . 1 1 67 67 GLU H H 67 8.940 8.940 8.680 0.260 17767 375 1 . 1 1 68 68 ALA N N 68 130.940 130.940 129.525 1.415 17767 376 1 . 1 1 68 68 ALA HA H 68 4.900 4.900 4.708 0.192 17767 377 1 . 1 1 68 68 ALA C C 68 176.000 176.000 175.419 0.581 17767 378 1 . 1 1 68 68 ALA CA C 68 51.000 51.000 50.820 0.180 17767 379 1 . 1 1 68 68 ALA CB C 68 22.440 22.440 22.479 -0.038 17767 380 1 . 1 1 68 68 ALA H H 68 8.660 8.660 8.310 0.350 17767 381 1 . 1 1 69 69 ASP N N 69 120.500 120.500 122.641 -2.141 17767 382 1 . 1 1 69 69 ASP HA H 69 5.000 5.000 4.823 0.177 17767 383 1 . 1 1 69 69 ASP C C 69 174.400 174.400 176.125 -1.725 17767 384 1 . 1 1 69 69 ASP CA C 69 54.670 54.670 54.111 0.558 17767 385 1 . 1 1 69 69 ASP CB C 69 41.930 41.930 41.051 0.879 17767 386 1 . 1 1 69 69 ASP H H 69 8.330 8.330 8.607 -0.277 17767 387 1 . 1 1 70 70 ILE N N 70 125.540 125.540 121.366 4.174 17767 388 1 . 1 1 70 70 ILE HA H 70 4.510 4.510 4.653 -0.143 17767 389 1 . 1 1 70 70 ILE C C 70 175.300 175.300 174.333 0.967 17767 390 1 . 1 1 70 70 ILE CA C 70 57.690 57.690 59.393 -1.703 17767 391 1 . 1 1 70 70 ILE CB C 70 40.040 40.040 41.169 -1.129 17767 392 1 . 1 1 70 70 ILE H H 70 8.850 8.850 8.436 0.414 17767 393 1 . 1 1 71 71 THR N N 71 123.860 123.860 117.504 6.356 17767 394 1 . 1 1 71 71 THR HA H 71 5.240 5.240 4.923 0.317 17767 395 1 . 1 1 71 71 THR C C 71 174.600 174.600 174.113 0.487 17767 396 1 . 1 1 71 71 THR CA C 71 61.610 61.610 61.372 0.238 17767 397 1 . 1 1 71 71 THR CB C 71 70.370 70.370 70.697 -0.327 17767 398 1 . 1 1 71 71 THR H H 71 9.460 9.460 8.488 0.972 17767 399 1 . 1 1 72 72 THR N N 72 115.980 115.980 119.469 -3.489 17767 400 1 . 1 1 72 72 THR HA H 72 4.550 4.550 4.549 0.001 17767 401 1 . 1 1 72 72 THR C C 72 177.300 177.300 176.512 0.788 17767 402 1 . 1 1 72 72 THR CA C 72 60.550 60.550 60.407 0.143 17767 403 1 . 1 1 72 72 THR CB C 72 70.710 70.710 70.175 0.535 17767 404 1 . 1 1 72 72 THR H H 72 8.700 8.700 8.294 0.406 17767 405 1 . 1 1 73 73 MET N N 73 119.830 119.830 122.315 -2.485 17767 406 1 . 1 1 73 73 MET HA H 73 4.110 4.110 4.384 -0.274 17767 407 1 . 1 1 73 73 MET C C 73 176.200 176.200 176.121 0.079 17767 408 1 . 1 1 73 73 MET CA C 73 58.900 58.900 57.446 1.454 17767 409 1 . 1 1 73 73 MET CB C 73 34.760 34.760 31.999 2.761 17767 410 1 . 1 1 73 73 MET H H 73 10.360 10.360 8.635 1.725 17767 411 1 . 1 1 74 74 ASP N N 74 112.220 112.220 118.742 -6.522 17767 412 1 . 1 1 74 74 ASP HA H 74 4.800 4.800 4.526 0.274 17767 413 1 . 1 1 74 74 ASP C C 74 175.600 175.600 177.085 -1.485 17767 414 1 . 1 1 74 74 ASP CA C 74 52.630 52.630 54.373 -1.743 17767 415 1 . 1 1 74 74 ASP CB C 74 38.870 38.870 41.265 -2.395 17767 416 1 . 1 1 74 74 ASP H H 74 8.680 8.680 7.680 1.000 17767 417 1 . 1 1 75 75 GLY N N 75 108.040 108.040 107.443 0.597 17767 418 1 . 1 1 75 75 GLY C C 75 175.000 175.000 173.813 1.187 17767 419 1 . 1 1 75 75 GLY CA C 75 46.400 46.400 45.065 1.336 17767 420 1 . 1 1 75 75 GLY H H 75 7.600 7.600 7.678 -0.078 17767 421 1 . 1 1 76 76 LYS N N 76 120.500 120.500 120.010 0.490 17767 422 1 . 1 1 76 76 LYS HA H 76 4.440 4.440 4.530 -0.090 17767 423 1 . 1 1 76 76 LYS C C 76 175.400 175.400 175.414 -0.014 17767 424 1 . 1 1 76 76 LYS CA C 76 55.240 55.240 54.715 0.526 17767 425 1 . 1 1 76 76 LYS CB C 76 33.500 33.500 34.760 -1.260 17767 426 1 . 1 1 76 76 LYS H H 76 8.260 8.260 7.734 0.526 17767 427 1 . 1 1 77 77 LYS N N 77 119.300 119.300 124.122 -4.822 17767 428 1 . 1 1 77 77 LYS HA H 77 5.370 5.370 4.598 0.772 17767 429 1 . 1 1 77 77 LYS C C 77 176.100 176.100 176.005 0.095 17767 430 1 . 1 1 77 77 LYS CA C 77 54.360 54.360 55.671 -1.311 17767 431 1 . 1 1 77 77 LYS CB C 77 32.840 32.840 32.160 0.680 17767 432 1 . 1 1 77 77 LYS H H 77 8.130 8.130 8.484 -0.354 17767 433 1 . 1 1 78 78 LEU N N 78 123.860 123.860 126.080 -2.220 17767 434 1 . 1 1 78 78 LEU HA H 78 4.910 4.910 4.804 0.106 17767 435 1 . 1 1 78 78 LEU C C 78 175.600 175.600 175.335 0.265 17767 436 1 . 1 1 78 78 LEU CA C 78 53.170 53.170 53.777 -0.607 17767 437 1 . 1 1 78 78 LEU CB C 78 45.780 45.780 45.798 -0.018 17767 438 1 . 1 1 78 78 LEU H H 78 9.028 9.028 8.277 0.751 17767 439 1 . 1 1 79 79 LYS N N 79 119.280 119.280 120.310 -1.030 17767 440 1 . 1 1 79 79 LYS HA H 79 5.615 5.615 5.029 0.586 17767 441 1 . 1 1 79 79 LYS C C 79 176.600 176.600 175.385 1.215 17767 442 1 . 1 1 79 79 LYS CA C 79 55.000 55.000 55.282 -0.282 17767 443 1 . 1 1 79 79 LYS CB C 79 36.850 36.850 33.640 3.210 17767 444 1 . 1 1 79 79 LYS H H 79 8.240 8.240 8.286 -0.046 17767 445 1 . 1 1 80 80 CYS N N 80 115.980 115.980 124.989 -9.009 17767 446 1 . 1 1 80 80 CYS HA H 80 4.700 4.700 4.744 -0.044 17767 447 1 . 1 1 80 80 CYS C C 80 173.500 173.500 174.516 -1.016 17767 448 1 . 1 1 80 80 CYS CA C 80 56.500 56.500 57.834 -1.334 17767 449 1 . 1 1 80 80 CYS CB C 80 45.700 45.700 28.694 17.005 17767 450 1 . 1 1 80 80 CYS H H 80 8.306 8.306 8.571 -0.265 17767 451 1 . 1 1 81 81 THR N N 81 122.000 122.000 125.716 -3.716 17767 452 1 . 1 1 81 81 THR HA H 81 4.303 4.303 4.535 -0.232 17767 453 1 . 1 1 81 81 THR C C 81 173.100 173.100 173.864 -0.764 17767 454 1 . 1 1 81 81 THR CA C 81 62.460 62.460 61.682 0.778 17767 455 1 . 1 1 81 81 THR CB C 81 68.200 68.200 67.969 0.231 17767 456 1 . 1 1 81 81 THR H H 81 8.840 8.840 8.713 0.127 17767 457 1 . 1 1 82 82 VAL N N 82 132.160 132.160 125.482 6.678 17767 458 1 . 1 1 82 82 VAL HA H 82 4.449 4.449 4.442 0.007 17767 459 1 . 1 1 82 82 VAL C C 82 175.100 175.100 175.212 -0.112 17767 460 1 . 1 1 82 82 VAL CA C 82 61.760 61.760 61.749 0.011 17767 461 1 . 1 1 82 82 VAL CB C 82 31.200 31.200 31.909 -0.709 17767 462 1 . 1 1 82 82 VAL H H 82 9.520 9.520 7.710 1.810 17767 463 1 . 1 1 83 83 HIS N N 83 123.860 123.860 121.683 2.177 17767 464 1 . 1 1 83 83 HIS HA H 83 5.009 5.009 4.844 0.165 17767 465 1 . 1 1 83 83 HIS C C 83 173.500 173.500 172.845 0.654 17767 466 1 . 1 1 83 83 HIS CA C 83 55.300 55.300 54.030 1.270 17767 467 1 . 1 1 83 83 HIS CB C 83 33.400 33.400 32.593 0.807 17767 468 1 . 1 1 83 83 HIS H H 83 8.740 8.740 8.554 0.186 17767 469 1 . 1 1 84 84 LEU N N 84 121.600 121.600 124.535 -2.935 17767 470 1 . 1 1 84 84 LEU HA H 84 5.420 5.420 4.863 0.557 17767 471 1 . 1 1 84 84 LEU C C 84 176.500 176.500 175.597 0.903 17767 472 1 . 1 1 84 84 LEU CA C 84 53.790 53.790 54.301 -0.511 17767 473 1 . 1 1 84 84 LEU CB C 84 44.740 44.740 43.000 1.740 17767 474 1 . 1 1 84 84 LEU H H 84 8.850 8.850 8.505 0.345 17767 475 1 . 1 1 85 85 ALA N N 85 128.800 128.800 130.172 -1.372 17767 476 1 . 1 1 85 85 ALA HA H 85 4.750 4.750 4.662 0.088 17767 477 1 . 1 1 85 85 ALA C C 85 177.000 177.000 176.675 0.325 17767 478 1 . 1 1 85 85 ALA CA C 85 51.480 51.480 51.497 -0.017 17767 479 1 . 1 1 85 85 ALA CB C 85 20.910 20.910 20.787 0.123 17767 480 1 . 1 1 85 85 ALA H H 85 9.230 9.230 8.934 0.296 17767 481 1 . 1 1 86 86 ASN HA H 86 4.430 4.430 4.379 0.051 17767 482 1 . 1 1 86 86 ASN C C 86 175.400 175.400 175.302 0.098 17767 483 1 . 1 1 86 86 ASN CA C 86 54.140 54.140 53.996 0.144 17767 484 1 . 1 1 86 86 ASN CB C 86 37.550 37.550 37.309 0.241 17767 485 1 . 1 1 87 87 GLY N N 87 103.430 103.430 102.012 1.418 17767 486 1 . 1 1 87 87 GLY C C 87 173.800 173.800 173.742 0.058 17767 487 1 . 1 1 87 87 GLY CA C 87 45.670 45.670 45.270 0.400 17767 488 1 . 1 1 87 87 GLY H H 87 8.620 8.620 8.496 0.124 17767 489 1 . 1 1 88 88 LYS N N 88 120.490 120.490 119.789 0.701 17767 490 1 . 1 1 88 88 LYS HA H 88 5.120 5.120 4.972 0.148 17767 491 1 . 1 1 88 88 LYS C C 88 175.500 175.500 174.622 0.878 17767 492 1 . 1 1 88 88 LYS CA C 88 55.140 55.140 54.519 0.620 17767 493 1 . 1 1 88 88 LYS CB C 88 34.610 34.610 34.788 -0.178 17767 494 1 . 1 1 88 88 LYS H H 88 7.880 7.880 7.663 0.217 17767 495 1 . 1 1 89 89 LEU N N 89 124.420 124.420 124.997 -0.577 17767 496 1 . 1 1 89 89 LEU HA H 89 4.730 4.730 4.456 0.274 17767 497 1 . 1 1 89 89 LEU C C 89 176.700 176.700 175.035 1.665 17767 498 1 . 1 1 89 89 LEU CA C 89 54.500 54.500 53.970 0.530 17767 499 1 . 1 1 89 89 LEU CB C 89 44.150 44.150 42.779 1.371 17767 500 1 . 1 1 89 89 LEU H H 89 8.780 8.780 8.430 0.350 17767 501 1 . 1 1 90 90 VAL N N 90 122.500 122.500 124.262 -1.762 17767 502 1 . 1 1 90 90 VAL HA H 90 5.420 5.420 4.324 1.096 17767 503 1 . 1 1 90 90 VAL C C 90 175.200 175.200 173.971 1.229 17767 504 1 . 1 1 90 90 VAL CA C 90 60.350 60.350 60.560 -0.210 17767 505 1 . 1 1 90 90 VAL CB C 90 35.930 35.930 33.512 2.418 17767 506 1 . 1 1 90 90 VAL H H 90 9.050 9.050 8.619 0.431 17767 507 1 . 1 1 91 91 CYS N N 91 123.100 123.100 128.313 -5.213 17767 508 1 . 1 1 91 91 CYS HA H 91 5.370 5.370 4.859 0.511 17767 509 1 . 1 1 91 91 CYS C C 91 172.700 172.700 173.270 -0.570 17767 510 1 . 1 1 91 91 CYS CA C 91 55.230 55.230 57.429 -2.199 17767 511 1 . 1 1 91 91 CYS CB C 91 42.970 42.970 27.430 15.540 17767 512 1 . 1 1 91 91 CYS H H 91 8.820 8.820 8.544 0.276 17767 513 1 . 1 1 92 92 LYS N N 92 128.900 128.900 128.234 0.666 17767 514 1 . 1 1 92 92 LYS HA H 92 5.000 5.000 4.663 0.337 17767 515 1 . 1 1 92 92 LYS C C 92 174.270 174.270 175.516 -1.246 17767 516 1 . 1 1 92 92 LYS CA C 92 55.360 55.360 55.389 -0.029 17767 517 1 . 1 1 92 92 LYS CB C 92 35.960 35.960 34.662 1.298 17767 518 1 . 1 1 92 92 LYS H H 92 9.450 9.450 8.409 1.041 17767 519 1 . 1 1 93 93 SER N N 93 119.300 119.300 120.767 -1.467 17767 520 1 . 1 1 93 93 SER HA H 93 4.710 4.710 4.786 -0.076 17767 521 1 . 1 1 93 93 SER C C 93 174.200 174.200 174.959 -0.759 17767 522 1 . 1 1 93 93 SER CA C 93 55.430 55.430 57.090 -1.660 17767 523 1 . 1 1 93 93 SER CB C 93 66.460 66.460 64.697 1.763 17767 524 1 . 1 1 93 93 SER H H 93 8.620 8.620 8.710 -0.090 17767 525 1 . 1 1 94 94 GLU N N 94 119.900 119.900 120.483 -0.583 17767 526 1 . 1 1 94 94 GLU HA H 94 4.090 4.090 4.321 -0.231 17767 527 1 . 1 1 94 94 GLU C C 94 177.600 177.600 176.506 1.094 17767 528 1 . 1 1 94 94 GLU CA C 94 59.440 59.440 58.001 1.438 17767 529 1 . 1 1 94 94 GLU CB C 94 29.360 29.360 29.654 -0.294 17767 530 1 . 1 1 94 94 GLU H H 94 8.670 8.670 8.621 0.049 17767 531 1 . 1 1 95 95 LYS N N 95 113.500 113.500 117.351 -3.851 17767 532 1 . 1 1 95 95 LYS HA H 95 4.430 4.430 4.117 0.313 17767 533 1 . 1 1 95 95 LYS C C 95 175.980 175.980 174.894 1.086 17767 534 1 . 1 1 95 95 LYS CA C 95 56.180 56.180 55.943 0.237 17767 535 1 . 1 1 95 95 LYS CB C 95 35.220 35.220 32.906 2.314 17767 536 1 . 1 1 95 95 LYS H H 95 8.300 8.300 7.828 0.472 17767 537 1 . 1 1 96 96 PHE N N 96 113.270 113.270 117.087 -3.817 17767 538 1 . 1 1 96 96 PHE HA H 96 5.860 5.860 4.610 1.250 17767 539 1 . 1 1 96 96 PHE C C 96 173.900 173.900 174.007 -0.107 17767 540 1 . 1 1 96 96 PHE CA C 96 55.890 55.890 55.847 0.043 17767 541 1 . 1 1 96 96 PHE CB C 96 43.560 43.560 41.633 1.927 17767 542 1 . 1 1 96 96 PHE H H 96 7.000 7.000 7.340 -0.340 17767 543 1 . 1 1 97 97 SER N N 97 112.050 112.050 113.107 -1.056 17767 544 1 . 1 1 97 97 SER HA H 97 5.220 5.220 4.774 0.446 17767 545 1 . 1 1 97 97 SER C C 97 172.560 172.560 172.589 -0.029 17767 546 1 . 1 1 97 97 SER CA C 97 57.870 57.870 58.222 -0.352 17767 547 1 . 1 1 97 97 SER CB C 97 65.990 65.990 65.317 0.673 17767 548 1 . 1 1 97 97 SER H H 97 8.790 8.790 8.743 0.047 17767 549 1 . 1 1 98 98 HIS N N 98 126.300 126.300 124.500 1.800 17767 550 1 . 1 1 98 98 HIS HA H 98 5.190 5.190 5.040 0.150 17767 551 1 . 1 1 98 98 HIS C C 98 174.500 174.500 173.486 1.014 17767 552 1 . 1 1 98 98 HIS CA C 98 56.260 56.260 54.663 1.597 17767 553 1 . 1 1 98 98 HIS CB C 98 36.270 36.270 32.640 3.630 17767 554 1 . 1 1 98 98 HIS H H 98 9.190 9.190 9.003 0.187 17767 555 1 . 1 1 99 99 GLU N N 99 126.670 126.670 128.124 -1.454 17767 556 1 . 1 1 99 99 GLU HA H 99 5.390 5.390 4.784 0.606 17767 557 1 . 1 1 99 99 GLU C C 99 175.400 175.400 174.934 0.466 17767 558 1 . 1 1 99 99 GLU CA C 99 55.000 55.000 55.066 -0.066 17767 559 1 . 1 1 99 99 GLU CB C 99 34.000 34.000 32.436 1.565 17767 560 1 . 1 1 99 99 GLU H H 99 8.350 8.350 8.813 -0.463 17767 561 1 . 1 1 101 101 GLU N N 101 125.500 125.500 124.365 1.135 17767 562 1 . 1 1 101 101 GLU HA H 101 5.160 5.160 4.705 0.455 17767 563 1 . 1 1 101 101 GLU CA C 101 54.090 54.090 54.793 -0.703 17767 564 1 . 1 1 101 101 GLU CB C 101 34.800 34.800 33.116 1.684 17767 565 1 . 1 1 101 101 GLU H H 101 8.900 8.900 8.639 0.261 17767 566 1 . 1 1 102 102 VAL N N 102 124.420 124.420 125.721 -1.301 17767 567 1 . 1 1 102 102 VAL HA H 102 4.630 4.630 4.284 0.346 17767 568 1 . 1 1 102 102 VAL C C 102 175.200 175.200 175.470 -0.270 17767 569 1 . 1 1 102 102 VAL CA C 102 61.380 61.380 61.230 0.150 17767 570 1 . 1 1 102 102 VAL CB C 102 34.100 34.100 32.391 1.709 17767 571 1 . 1 1 102 102 VAL H H 102 8.790 8.790 8.559 0.231 17767 572 1 . 1 1 103 103 LYS N N 103 129.480 129.480 128.733 0.747 17767 573 1 . 1 1 103 103 LYS HA H 103 4.570 4.570 4.553 0.017 17767 574 1 . 1 1 103 103 LYS C C 103 176.500 176.500 176.763 -0.263 17767 575 1 . 1 1 103 103 LYS CA C 103 55.340 55.340 54.957 0.383 17767 576 1 . 1 1 103 103 LYS CB C 103 33.760 33.760 32.935 0.825 17767 577 1 . 1 1 103 103 LYS H H 103 8.950 8.950 8.971 -0.021 17767 578 1 . 1 1 104 104 GLY N N 104 116.700 116.700 116.341 0.359 17767 579 1 . 1 1 104 104 GLY C C 104 174.500 174.500 174.708 -0.208 17767 580 1 . 1 1 104 104 GLY CA C 104 47.680 47.680 46.904 0.776 17767 581 1 . 1 1 104 104 GLY H H 104 9.140 9.140 8.743 0.397 17767 582 1 . 1 1 105 105 ASN N N 105 125.540 125.540 123.865 1.675 17767 583 1 . 1 1 105 105 ASN HA H 105 5.000 5.000 4.980 0.020 17767 584 1 . 1 1 105 105 ASN CA C 105 53.130 53.130 52.790 0.340 17767 585 1 . 1 1 105 105 ASN CB C 105 39.060 39.060 39.926 -0.866 17767 586 1 . 1 1 105 105 ASN H H 105 9.030 9.030 8.459 0.571 17767 587 1 . 1 1 106 106 GLU N N 106 120.480 120.480 119.936 0.544 17767 588 1 . 1 1 106 106 GLU HA H 106 5.550 5.550 5.111 0.439 17767 589 1 . 1 1 106 106 GLU CA C 106 55.550 55.550 55.388 0.162 17767 590 1 . 1 1 106 106 GLU CB C 106 33.160 33.160 33.821 -0.661 17767 591 1 . 1 1 106 106 GLU H H 106 8.100 8.100 7.915 0.185 17767 592 1 . 1 1 107 107 MET N N 107 124.080 124.080 124.202 -0.122 17767 593 1 . 1 1 107 107 MET HA H 107 5.120 5.120 5.178 -0.058 17767 594 1 . 1 1 107 107 MET CA C 107 53.700 53.700 54.037 -0.337 17767 595 1 . 1 1 107 107 MET CB C 107 36.800 36.800 35.648 1.152 17767 596 1 . 1 1 107 107 MET H H 107 8.930 8.930 9.161 -0.231 17767 597 1 . 1 1 108 108 VAL N N 108 126.820 126.820 124.972 1.848 17767 598 1 . 1 1 108 108 VAL HA H 108 5.250 5.250 4.630 0.620 17767 599 1 . 1 1 108 108 VAL CA C 108 61.340 61.340 60.366 0.974 17767 600 1 . 1 1 108 108 VAL CB C 108 34.900 34.900 32.932 1.968 17767 601 1 . 1 1 108 108 VAL H H 108 9.017 9.017 8.923 0.094 17767 602 1 . 1 1 109 109 GLU N N 109 128.300 128.300 127.294 1.006 17767 603 1 . 1 1 109 109 GLU HA H 109 5.040 5.040 5.134 -0.094 17767 604 1 . 1 1 109 109 GLU C C 109 174.410 174.410 175.258 -0.848 17767 605 1 . 1 1 109 109 GLU CA C 109 54.440 54.440 54.277 0.163 17767 606 1 . 1 1 109 109 GLU CB C 109 34.760 34.760 33.488 1.272 17767 607 1 . 1 1 109 109 GLU H H 109 9.100 9.100 8.665 0.435 17767 608 1 . 1 1 110 110 THR N N 110 120.760 120.760 118.890 1.870 17767 609 1 . 1 1 110 110 THR HA H 110 4.850 4.850 4.835 0.015 17767 610 1 . 1 1 110 110 THR C C 110 174.900 174.900 173.380 1.520 17767 611 1 . 1 1 110 110 THR CA C 110 61.980 61.980 61.927 0.053 17767 612 1 . 1 1 110 110 THR CB C 110 69.520 69.520 70.117 -0.597 17767 613 1 . 1 1 110 110 THR H H 110 8.876 8.876 8.715 0.161 17767 614 1 . 1 1 111 111 ILE N N 111 131.030 131.030 126.643 4.386 17767 615 1 . 1 1 111 111 ILE HA H 111 5.240 5.240 4.605 0.635 17767 616 1 . 1 1 111 111 ILE C C 111 174.600 174.600 174.729 -0.129 17767 617 1 . 1 1 111 111 ILE CA C 111 60.310 60.310 59.209 1.101 17767 618 1 . 1 1 111 111 ILE CB C 111 41.220 41.220 40.811 0.409 17767 619 1 . 1 1 111 111 ILE H H 111 9.490 9.490 8.614 0.876 17767 620 1 . 1 1 112 112 THR N N 112 122.800 122.800 118.530 4.270 17767 621 1 . 1 1 112 112 THR HA H 112 5.960 5.960 5.026 0.934 17767 622 1 . 1 1 112 112 THR C C 112 174.370 174.370 173.272 1.098 17767 623 1 . 1 1 112 112 THR CA C 112 61.180 61.180 61.809 -0.629 17767 624 1 . 1 1 112 112 THR CB C 112 71.250 71.250 70.360 0.890 17767 625 1 . 1 1 112 112 THR H H 112 9.490 9.490 8.206 1.284 17767 626 1 . 1 1 113 113 PHE N N 113 124.980 124.980 124.545 0.435 17767 627 1 . 1 1 113 113 PHE HA H 113 4.820 4.820 4.602 0.218 17767 628 1 . 1 1 113 113 PHE C C 113 175.700 175.700 175.822 -0.123 17767 629 1 . 1 1 113 113 PHE CA C 113 58.800 58.800 57.788 1.012 17767 630 1 . 1 1 113 113 PHE CB C 113 43.480 43.480 42.899 0.581 17767 631 1 . 1 1 113 113 PHE H H 113 9.000 9.000 8.481 0.519 17767 632 1 . 1 1 114 114 GLY N N 114 116.550 116.550 111.211 5.339 17767 633 1 . 1 1 114 114 GLY C C 114 175.300 175.300 174.736 0.564 17767 634 1 . 1 1 114 114 GLY CA C 114 46.840 46.840 45.843 0.997 17767 635 1 . 1 1 114 114 GLY H H 114 8.410 8.410 9.137 -0.727 17767 636 1 . 1 1 115 115 GLY N N 115 105.640 105.640 106.539 -0.899 17767 637 1 . 1 1 115 115 GLY C C 115 174.200 174.200 173.884 0.316 17767 638 1 . 1 1 115 115 GLY CA C 115 44.890 44.890 44.967 -0.077 17767 639 1 . 1 1 115 115 GLY H H 115 8.560 8.560 8.211 0.349 17767 640 1 . 1 1 116 116 VAL N N 116 123.600 123.600 121.245 2.355 17767 641 1 . 1 1 116 116 VAL HA H 116 4.310 4.310 4.342 -0.032 17767 642 1 . 1 1 116 116 VAL C C 116 174.640 174.640 174.878 -0.238 17767 643 1 . 1 1 116 116 VAL CA C 116 62.250 62.250 60.747 1.503 17767 644 1 . 1 1 116 116 VAL CB C 116 34.170 34.170 34.001 0.169 17767 645 1 . 1 1 116 116 VAL H H 116 8.164 8.164 7.735 0.429 17767 646 1 . 1 1 117 117 THR N N 117 123.270 123.270 123.521 -0.251 17767 647 1 . 1 1 117 117 THR HA H 117 5.250 5.250 4.555 0.695 17767 648 1 . 1 1 117 117 THR C C 117 173.800 173.800 173.572 0.228 17767 649 1 . 1 1 117 117 THR CA C 117 61.900 61.900 61.841 0.059 17767 650 1 . 1 1 117 117 THR CB C 117 70.450 70.450 68.497 1.953 17767 651 1 . 1 1 117 117 THR H H 117 8.770 8.770 8.533 0.237 17767 652 1 . 1 1 118 118 LEU N N 118 132.800 132.800 129.653 3.147 17767 653 1 . 1 1 118 118 LEU HA H 118 4.880 4.880 4.613 0.267 17767 654 1 . 1 1 118 118 LEU C C 118 175.200 175.200 174.698 0.502 17767 655 1 . 1 1 118 118 LEU CA C 118 53.570 53.570 53.683 -0.113 17767 656 1 . 1 1 118 118 LEU CB C 118 44.730 44.730 42.621 2.109 17767 657 1 . 1 1 118 118 LEU H H 118 9.700 9.700 7.911 1.789 17767 658 1 . 1 1 119 119 ILE N N 119 124.980 124.980 128.433 -3.453 17767 659 1 . 1 1 119 119 ILE HA H 119 5.240 5.240 4.391 0.849 17767 660 1 . 1 1 119 119 ILE C C 119 175.900 175.900 175.205 0.695 17767 661 1 . 1 1 119 119 ILE CA C 119 59.340 59.340 60.822 -1.482 17767 662 1 . 1 1 119 119 ILE CB C 119 39.550 39.550 38.307 1.243 17767 663 1 . 1 1 119 119 ILE H H 119 7.800 7.800 8.034 -0.234 17767 664 1 . 1 1 120 120 ARG N N 120 126.110 126.110 126.312 -0.202 17767 665 1 . 1 1 120 120 ARG HA H 120 5.040 5.040 4.867 0.173 17767 666 1 . 1 1 120 120 ARG C C 120 175.300 175.300 174.590 0.710 17767 667 1 . 1 1 120 120 ARG CA C 120 54.990 54.990 54.112 0.878 17767 668 1 . 1 1 120 120 ARG CB C 120 34.760 34.760 33.772 0.988 17767 669 1 . 1 1 120 120 ARG H H 120 9.400 9.400 8.615 0.785 17767 670 1 . 1 1 121 121 ARG N N 121 126.600 126.600 121.399 5.201 17767 671 1 . 1 1 121 121 ARG HA H 121 5.350 5.350 4.674 0.676 17767 672 1 . 1 1 121 121 ARG C C 121 175.020 175.020 174.660 0.360 17767 673 1 . 1 1 121 121 ARG CA C 121 55.250 55.250 55.055 0.194 17767 674 1 . 1 1 121 121 ARG CB C 121 31.830 31.830 32.620 -0.790 17767 675 1 . 1 1 121 121 ARG H H 121 9.110 9.110 8.275 0.835 17767 676 1 . 1 1 122 122 SER N N 122 118.200 118.200 118.675 -0.475 17767 677 1 . 1 1 122 122 SER HA H 122 5.730 5.730 5.594 0.136 17767 678 1 . 1 1 122 122 SER C C 122 173.010 173.010 173.332 -0.322 17767 679 1 . 1 1 122 122 SER CA C 122 58.100 58.100 56.587 1.513 17767 680 1 . 1 1 122 122 SER CB C 122 66.850 66.850 65.721 1.129 17767 681 1 . 1 1 122 122 SER H H 122 9.290 9.290 9.122 0.168 17767 682 1 . 1 1 123 123 LYS N N 123 120.480 120.480 122.708 -2.228 17767 683 1 . 1 1 123 123 LYS HA H 123 5.780 5.780 5.181 0.599 17767 684 1 . 1 1 123 123 LYS C C 123 175.600 175.600 175.688 -0.088 17767 685 1 . 1 1 123 123 LYS CA C 123 54.130 54.130 54.870 -0.740 17767 686 1 . 1 1 123 123 LYS CB C 123 36.330 36.330 35.811 0.519 17767 687 1 . 1 1 123 123 LYS H H 123 8.650 8.650 9.105 -0.455 17767 688 1 . 1 1 124 124 ARG N N 124 124.980 124.980 124.652 0.328 17767 689 1 . 1 1 124 124 ARG HA H 124 3.940 3.940 4.735 -0.795 17767 690 1 . 1 1 124 124 ARG C C 124 176.500 176.500 175.823 0.677 17767 691 1 . 1 1 124 124 ARG CA C 124 56.900 56.900 56.524 0.376 17767 692 1 . 1 1 124 124 ARG CB C 124 30.380 30.380 31.221 -0.841 17767 693 1 . 1 1 124 124 ARG H H 124 8.200 8.200 8.904 -0.704 17767 stop_ save_