data_19727 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19727 _Entry.PDB_ID 2MJI 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 19727 _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 N N 2 113.067 113.067 119.931 -6.864 19727 2 1 1 . 1 1 2 2 PHE HA H 2 4.440 4.440 4.740 -0.300 19727 3 1 1 . 1 1 2 2 PHE CA C 2 59.610 59.610 58.118 1.492 19727 4 1 1 . 1 1 2 2 PHE CB C 2 39.760 39.760 39.573 0.187 19727 5 1 1 . 1 1 2 2 PHE H H 2 8.270 8.270 8.668 -0.398 19727 6 1 1 . 1 1 3 3 ASP N N 3 118.589 118.589 120.146 -1.557 19727 7 1 1 . 1 1 3 3 ASP HA H 3 4.890 4.890 4.515 0.375 19727 8 1 1 . 1 1 3 3 ASP CA C 3 55.030 55.030 55.978 -0.948 19727 9 1 1 . 1 1 3 3 ASP CB C 3 39.460 39.460 40.296 -0.836 19727 10 1 1 . 1 1 3 3 ASP H H 3 7.554 7.554 8.356 -0.802 19727 11 1 1 . 1 1 4 4 SER N N 4 120.654 120.654 118.339 2.315 19727 12 1 1 . 1 1 4 4 SER HA H 4 4.250 4.250 4.622 -0.372 19727 13 1 1 . 1 1 4 4 SER CA C 4 59.530 59.530 58.114 1.417 19727 14 1 1 . 1 1 4 4 SER CB C 4 65.300 65.300 65.368 -0.068 19727 15 1 1 . 1 1 4 4 SER H H 4 8.250 8.250 8.296 -0.046 19727 16 1 1 . 1 1 5 5 THR N N 5 115.812 115.812 119.140 -3.328 19727 17 1 1 . 1 1 5 5 THR HA H 5 5.160 5.160 4.576 0.584 19727 18 1 1 . 1 1 5 5 THR CA C 5 63.480 63.480 63.733 -0.252 19727 19 1 1 . 1 1 5 5 THR CB C 5 69.630 69.630 69.398 0.232 19727 20 1 1 . 1 1 5 5 THR H H 5 8.041 8.041 8.567 -0.526 19727 21 1 1 . 1 1 6 6 TRP N N 6 128.256 128.256 128.045 0.211 19727 22 1 1 . 1 1 6 6 TRP HA H 6 5.240 5.240 5.345 -0.105 19727 23 1 1 . 1 1 6 6 TRP CA C 6 55.770 55.770 55.121 0.649 19727 24 1 1 . 1 1 6 6 TRP CB C 6 32.800 32.800 31.400 1.400 19727 25 1 1 . 1 1 6 6 TRP H H 6 9.514 9.514 8.841 0.673 19727 26 1 1 . 1 1 7 7 LYS N N 7 122.895 122.895 125.523 -2.628 19727 27 1 1 . 1 1 7 7 LYS HA H 7 5.490 5.490 4.919 0.571 19727 28 1 1 . 1 1 7 7 LYS CA C 7 54.680 54.680 54.847 -0.167 19727 29 1 1 . 1 1 7 7 LYS CB C 7 35.840 35.840 35.836 0.004 19727 30 1 1 . 1 1 7 7 LYS H H 7 9.954 9.954 8.658 1.296 19727 31 1 1 . 1 1 8 8 VAL N N 8 128.078 128.078 127.720 0.358 19727 32 1 1 . 1 1 8 8 VAL HA H 8 3.280 3.280 4.092 -0.812 19727 33 1 1 . 1 1 8 8 VAL CA C 8 64.810 64.810 64.370 0.440 19727 34 1 1 . 1 1 8 8 VAL CB C 8 31.790 31.790 33.162 -1.372 19727 35 1 1 . 1 1 8 8 VAL H H 8 8.780 8.780 8.152 0.628 19727 36 1 1 . 1 1 9 9 ASP N N 9 127.565 127.565 127.674 -0.109 19727 37 1 1 . 1 1 9 9 ASP HA H 9 4.930 4.930 4.729 0.201 19727 38 1 1 . 1 1 9 9 ASP CA C 9 55.750 55.750 55.878 -0.128 19727 39 1 1 . 1 1 9 9 ASP CB C 9 46.830 46.830 43.102 3.728 19727 40 1 1 . 1 1 9 9 ASP H H 9 9.712 9.712 8.223 1.489 19727 41 1 1 . 1 1 10 10 ARG N N 10 112.578 112.578 115.702 -3.124 19727 42 1 1 . 1 1 10 10 ARG HA H 10 4.740 4.740 4.507 0.233 19727 43 1 1 . 1 1 10 10 ARG CA C 10 55.200 55.200 54.828 0.372 19727 44 1 1 . 1 1 10 10 ARG CB C 10 31.470 31.470 32.438 -0.968 19727 45 1 1 . 1 1 10 10 ARG H H 10 7.823 7.823 7.585 0.238 19727 46 1 1 . 1 1 11 11 SER N N 11 113.123 113.123 114.301 -1.178 19727 47 1 1 . 1 1 11 11 SER HA H 11 5.270 5.270 4.674 0.596 19727 48 1 1 . 1 1 11 11 SER CA C 11 57.490 57.490 57.037 0.453 19727 49 1 1 . 1 1 11 11 SER CB C 11 66.620 66.620 66.692 -0.072 19727 50 1 1 . 1 1 11 11 SER H H 11 8.602 8.602 8.127 0.475 19727 51 1 1 . 1 1 12 12 GLU N N 12 121.867 121.867 120.829 1.038 19727 52 1 1 . 1 1 12 12 GLU HA H 12 4.760 4.760 4.545 0.215 19727 53 1 1 . 1 1 12 12 GLU CA C 12 55.420 55.420 56.060 -0.640 19727 54 1 1 . 1 1 12 12 GLU CB C 12 33.060 33.060 32.776 0.284 19727 55 1 1 . 1 1 12 12 GLU H H 12 9.447 9.447 9.074 0.373 19727 56 1 1 . 1 1 13 13 ASN N N 13 121.822 121.822 121.346 0.476 19727 57 1 1 . 1 1 13 13 ASN HA H 13 4.720 4.720 4.428 0.292 19727 58 1 1 . 1 1 13 13 ASN CA C 13 54.200 54.200 54.769 -0.569 19727 59 1 1 . 1 1 13 13 ASN CB C 13 39.870 39.870 37.627 2.243 19727 60 1 1 . 1 1 13 13 ASN H H 13 9.350 9.350 9.112 0.238 19727 61 1 1 . 1 1 14 14 TYR N N 14 120.082 120.082 119.576 0.506 19727 62 1 1 . 1 1 14 14 TYR HA H 14 4.290 4.290 3.858 0.432 19727 63 1 1 . 1 1 14 14 TYR CA C 14 60.700 60.700 61.904 -1.204 19727 64 1 1 . 1 1 14 14 TYR CB C 14 39.620 39.620 38.294 1.326 19727 65 1 1 . 1 1 14 14 TYR H H 14 8.357 8.357 8.184 0.173 19727 66 1 1 . 1 1 15 15 ASP N N 15 118.245 118.245 117.987 0.258 19727 67 1 1 . 1 1 15 15 ASP HA H 15 4.060 4.060 4.453 -0.393 19727 68 1 1 . 1 1 15 15 ASP CA C 15 58.620 58.620 56.902 1.718 19727 69 1 1 . 1 1 15 15 ASP CB C 15 41.140 41.140 40.379 0.761 19727 70 1 1 . 1 1 15 15 ASP H H 15 8.562 8.562 8.886 -0.324 19727 71 1 1 . 1 1 16 16 LYS N N 16 118.806 118.806 119.270 -0.464 19727 72 1 1 . 1 1 16 16 LYS HA H 16 4.050 4.050 4.094 -0.044 19727 73 1 1 . 1 1 16 16 LYS CA C 16 58.610 58.610 59.618 -1.008 19727 74 1 1 . 1 1 16 16 LYS CB C 16 31.550 31.550 32.278 -0.728 19727 75 1 1 . 1 1 16 16 LYS H H 16 7.801 7.801 7.497 0.304 19727 76 1 1 . 1 1 17 17 PHE N N 17 120.733 120.733 116.808 3.925 19727 77 1 1 . 1 1 17 17 PHE HA H 17 4.020 4.020 4.283 -0.263 19727 78 1 1 . 1 1 17 17 PHE CA C 17 61.620 61.620 60.008 1.612 19727 79 1 1 . 1 1 17 17 PHE CB C 17 40.250 40.250 38.011 2.239 19727 80 1 1 . 1 1 17 17 PHE H H 17 7.543 7.543 7.968 -0.425 19727 81 1 1 . 1 1 18 18 MET N N 18 117.590 117.590 117.760 -0.170 19727 82 1 1 . 1 1 18 18 MET HA H 18 3.210 3.210 4.183 -0.973 19727 83 1 1 . 1 1 18 18 MET CA C 18 59.860 59.860 58.203 1.657 19727 84 1 1 . 1 1 18 18 MET CB C 18 34.110 34.110 31.703 2.407 19727 85 1 1 . 1 1 18 18 MET H H 18 8.063 8.063 7.544 0.519 19727 86 1 1 . 1 1 19 19 GLU N N 19 120.480 120.480 119.608 0.872 19727 87 1 1 . 1 1 19 19 GLU HA H 19 3.830 3.830 4.221 -0.391 19727 88 1 1 . 1 1 19 19 GLU CA C 19 60.040 60.040 58.275 1.766 19727 89 1 1 . 1 1 19 19 GLU CB C 19 29.790 29.790 29.279 0.511 19727 90 1 1 . 1 1 19 19 GLU H H 19 8.430 8.430 7.952 0.478 19727 91 1 1 . 1 1 20 20 LYS N N 20 122.631 122.631 119.359 3.272 19727 92 1 1 . 1 1 20 20 LYS HA H 20 4.070 4.070 4.168 -0.098 19727 93 1 1 . 1 1 20 20 LYS CA C 20 57.400 57.400 58.748 -1.348 19727 94 1 1 . 1 1 20 20 LYS CB C 20 31.940 31.940 32.758 -0.818 19727 95 1 1 . 1 1 20 20 LYS H H 20 8.080 8.080 7.878 0.202 19727 96 1 1 . 1 1 21 21 MET N N 21 114.794 114.794 114.173 0.621 19727 97 1 1 . 1 1 21 21 MET HA H 21 3.810 3.810 4.421 -0.611 19727 98 1 1 . 1 1 21 21 MET CA C 21 56.310 56.310 55.934 0.376 19727 99 1 1 . 1 1 21 21 MET CB C 21 32.729 32.729 33.391 -0.662 19727 100 1 1 . 1 1 21 21 MET H H 21 7.554 7.554 7.625 -0.071 19727 101 1 1 . 1 1 22 22 GLY N N 22 107.423 107.423 106.756 0.667 19727 102 1 1 . 1 1 22 22 GLY CA C 22 45.310 45.310 44.934 0.376 19727 103 1 1 . 1 1 22 22 GLY H H 22 7.718 7.718 7.982 -0.264 19727 104 1 1 . 1 1 23 23 VAL N N 23 121.380 121.380 120.504 0.876 19727 105 1 1 . 1 1 23 23 VAL HA H 23 3.770 3.770 3.949 -0.179 19727 106 1 1 . 1 1 23 23 VAL CA C 23 62.650 62.650 61.291 1.359 19727 107 1 1 . 1 1 23 23 VAL CB C 23 32.060 32.060 31.576 0.484 19727 108 1 1 . 1 1 23 23 VAL H H 23 7.491 7.491 7.949 -0.458 19727 109 1 1 . 1 1 24 24 ASN N N 24 127.861 127.861 124.676 3.185 19727 110 1 1 . 1 1 24 24 ASN HA H 24 4.430 4.430 4.510 -0.080 19727 111 1 1 . 1 1 24 24 ASN CA C 24 54.090 54.090 54.107 -0.017 19727 112 1 1 . 1 1 24 24 ASN CB C 24 39.330 39.330 40.169 -0.839 19727 113 1 1 . 1 1 24 24 ASN H H 24 8.780 8.780 8.599 0.181 19727 114 1 1 . 1 1 25 25 ILE N N 25 121.002 121.002 122.966 -1.964 19727 115 1 1 . 1 1 25 25 ILE HA H 25 3.660 3.660 3.996 -0.336 19727 116 1 1 . 1 1 25 25 ILE CA C 25 65.350 65.350 63.653 1.697 19727 117 1 1 . 1 1 25 25 ILE CB C 25 38.910 38.910 38.414 0.496 19727 118 1 1 . 1 1 25 25 ILE H H 25 8.494 8.494 8.592 -0.098 19727 119 1 1 . 1 1 26 26 VAL N N 26 121.014 121.014 119.922 1.092 19727 120 1 1 . 1 1 26 26 VAL HA H 26 3.680 3.680 3.574 0.106 19727 121 1 1 . 1 1 26 26 VAL CA C 26 66.080 66.080 65.831 0.249 19727 122 1 1 . 1 1 26 26 VAL CB C 26 31.930 31.930 31.094 0.836 19727 123 1 1 . 1 1 26 26 VAL H H 26 7.569 7.569 7.864 -0.295 19727 124 1 1 . 1 1 27 27 LYS N N 27 118.674 118.674 117.701 0.973 19727 125 1 1 . 1 1 27 27 LYS HA H 27 4.140 4.140 4.114 0.026 19727 126 1 1 . 1 1 27 27 LYS CA C 27 58.240 58.240 58.471 -0.231 19727 127 1 1 . 1 1 27 27 LYS CB C 27 32.610 32.610 32.542 0.068 19727 128 1 1 . 1 1 27 27 LYS H H 27 7.729 7.729 8.927 -1.198 19727 129 1 1 . 1 1 28 28 ARG N N 28 119.667 119.667 120.158 -0.491 19727 130 1 1 . 1 1 28 28 ARG HA H 28 3.740 3.740 4.117 -0.377 19727 131 1 1 . 1 1 28 28 ARG CA C 28 60.040 60.040 58.122 1.918 19727 132 1 1 . 1 1 28 28 ARG CB C 28 30.760 30.760 29.419 1.341 19727 133 1 1 . 1 1 28 28 ARG H H 28 8.418 8.418 7.549 0.869 19727 134 1 1 . 1 1 29 29 LYS N N 29 118.502 118.502 119.540 -1.038 19727 135 1 1 . 1 1 29 29 LYS HA H 29 4.040 4.040 3.937 0.103 19727 136 1 1 . 1 1 29 29 LYS CA C 29 59.460 59.460 59.495 -0.035 19727 137 1 1 . 1 1 29 29 LYS CB C 29 32.440 32.440 31.919 0.520 19727 138 1 1 . 1 1 29 29 LYS H H 29 7.611 7.611 8.248 -0.637 19727 139 1 1 . 1 1 30 30 LEU N N 30 119.200 119.200 115.089 4.111 19727 140 1 1 . 1 1 30 30 LEU HA H 30 4.170 4.170 4.621 -0.451 19727 141 1 1 . 1 1 30 30 LEU CA C 30 57.560 57.560 55.354 2.206 19727 142 1 1 . 1 1 30 30 LEU CB C 30 42.320 42.320 42.517 -0.197 19727 143 1 1 . 1 1 30 30 LEU H H 30 7.292 7.292 7.672 -0.380 19727 144 1 1 . 1 1 31 31 ALA N N 31 120.380 120.380 120.778 -0.398 19727 145 1 1 . 1 1 31 31 ALA HA H 31 4.080 4.080 4.127 -0.047 19727 146 1 1 . 1 1 31 31 ALA CA C 31 54.370 54.370 53.445 0.925 19727 147 1 1 . 1 1 31 31 ALA CB C 31 19.300 19.300 18.785 0.515 19727 148 1 1 . 1 1 31 31 ALA H H 31 8.257 8.257 7.431 0.826 19727 149 1 1 . 1 1 32 32 ALA N N 32 117.152 117.152 119.929 -2.777 19727 150 1 1 . 1 1 32 32 ALA HA H 32 4.130 4.130 2.910 1.220 19727 151 1 1 . 1 1 32 32 ALA CA C 32 54.060 54.060 54.243 -0.183 19727 152 1 1 . 1 1 32 32 ALA CB C 32 18.710 18.710 18.706 0.004 19727 153 1 1 . 1 1 32 32 ALA H H 32 7.320 7.320 8.042 -0.722 19727 154 1 1 . 1 1 33 33 HIS N N 33 115.869 115.869 107.879 7.990 19727 155 1 1 . 1 1 33 33 HIS HA H 33 5.000 5.000 4.330 0.670 19727 156 1 1 . 1 1 33 33 HIS CA C 33 54.200 54.200 56.232 -2.032 19727 157 1 1 . 1 1 33 33 HIS CB C 33 28.310 28.310 28.936 -0.626 19727 158 1 1 . 1 1 33 33 HIS H H 33 7.675 7.675 7.299 0.376 19727 159 1 1 . 1 1 34 34 ASP N N 34 117.892 117.892 123.731 -5.839 19727 160 1 1 . 1 1 34 34 ASP HA H 34 4.200 4.200 4.478 -0.278 19727 161 1 1 . 1 1 34 34 ASP CA C 34 54.450 54.450 56.009 -1.559 19727 162 1 1 . 1 1 34 34 ASP CB C 34 40.740 40.740 40.295 0.445 19727 163 1 1 . 1 1 34 34 ASP H H 34 7.430 7.430 8.406 -0.976 19727 164 1 1 . 1 1 35 35 ASN N N 35 118.996 118.996 118.745 0.251 19727 165 1 1 . 1 1 35 35 ASN HA H 35 4.310 4.310 4.855 -0.545 19727 166 1 1 . 1 1 35 35 ASN CA C 35 53.650 53.650 52.658 0.992 19727 167 1 1 . 1 1 35 35 ASN CB C 35 37.760 37.760 38.208 -0.448 19727 168 1 1 . 1 1 35 35 ASN H H 35 9.086 9.086 8.038 1.048 19727 169 1 1 . 1 1 36 36 LEU N N 36 118.708 118.708 122.228 -3.520 19727 170 1 1 . 1 1 36 36 LEU CA C 36 57.330 57.330 54.078 3.252 19727 171 1 1 . 1 1 36 36 LEU CB C 36 42.810 42.810 44.979 -2.169 19727 172 1 1 . 1 1 36 36 LEU H H 36 6.914 6.914 7.574 -0.660 19727 173 1 1 . 1 1 37 37 LYS N N 37 126.148 126.148 127.529 -1.381 19727 174 1 1 . 1 1 37 37 LYS HA H 37 5.650 5.650 4.876 0.774 19727 175 1 1 . 1 1 37 37 LYS CA C 37 55.170 55.170 54.693 0.477 19727 176 1 1 . 1 1 37 37 LYS CB C 37 36.200 36.200 34.033 2.167 19727 177 1 1 . 1 1 37 37 LYS H H 37 9.246 9.246 8.237 1.009 19727 178 1 1 . 1 1 38 38 LEU N N 38 122.300 122.300 129.236 -6.936 19727 179 1 1 . 1 1 38 38 LEU HA H 38 5.550 5.550 4.756 0.794 19727 180 1 1 . 1 1 38 38 LEU CA C 38 52.870 52.870 53.871 -1.001 19727 181 1 1 . 1 1 38 38 LEU CB C 38 46.720 46.720 44.732 1.988 19727 182 1 1 . 1 1 38 38 LEU H H 38 9.324 9.324 9.324 -0.000 19727 183 1 1 . 1 1 39 39 THR N N 39 120.586 120.586 122.610 -2.024 19727 184 1 1 . 1 1 39 39 THR HA H 39 5.280 5.280 4.650 0.630 19727 185 1 1 . 1 1 39 39 THR CA C 39 62.950 62.950 62.399 0.551 19727 186 1 1 . 1 1 39 39 THR CB C 39 70.590 70.590 70.344 0.246 19727 187 1 1 . 1 1 39 39 THR H H 39 9.191 9.191 8.188 1.003 19727 188 1 1 . 1 1 40 40 ILE N N 40 128.371 128.371 125.386 2.985 19727 189 1 1 . 1 1 40 40 ILE HA H 40 4.860 4.860 4.472 0.388 19727 190 1 1 . 1 1 40 40 ILE CA C 40 61.570 61.570 60.071 1.499 19727 191 1 1 . 1 1 40 40 ILE CB C 40 40.060 40.060 40.119 -0.059 19727 192 1 1 . 1 1 40 40 ILE H H 40 8.531 8.531 8.680 -0.149 19727 193 1 1 . 1 1 41 41 THR N N 41 120.285 120.285 121.557 -1.272 19727 194 1 1 . 1 1 41 41 THR HA H 41 4.510 4.510 4.567 -0.057 19727 195 1 1 . 1 1 41 41 THR CA C 41 60.930 60.930 60.791 0.140 19727 196 1 1 . 1 1 41 41 THR CB C 41 71.450 71.450 69.100 2.350 19727 197 1 1 . 1 1 41 41 THR H H 41 8.624 8.624 8.655 -0.031 19727 198 1 1 . 1 1 42 42 GLN N N 42 126.369 126.369 122.748 3.621 19727 199 1 1 . 1 1 42 42 GLN CA C 42 54.400 54.400 56.684 -2.284 19727 200 1 1 . 1 1 42 42 GLN CB C 42 30.560 30.560 27.944 2.616 19727 201 1 1 . 1 1 42 42 GLN H H 42 9.050 9.050 8.341 0.709 19727 202 1 1 . 1 1 43 43 GLU N N 43 128.036 128.036 126.307 1.729 19727 203 1 1 . 1 1 43 43 GLU HA H 43 4.400 4.400 4.593 -0.193 19727 204 1 1 . 1 1 43 43 GLU CA C 43 55.020 55.020 54.827 0.193 19727 205 1 1 . 1 1 43 43 GLU CB C 43 31.630 31.630 31.466 0.164 19727 206 1 1 . 1 1 43 43 GLU H H 43 8.807 8.807 9.030 -0.223 19727 207 1 1 . 1 1 44 44 GLY N N 44 117.000 117.000 116.815 0.185 19727 208 1 1 . 1 1 44 44 GLY CA C 44 47.460 47.460 46.797 0.663 19727 209 1 1 . 1 1 44 44 GLY H H 44 9.060 9.060 8.783 0.277 19727 210 1 1 . 1 1 45 45 ASN N N 45 124.910 124.910 120.224 4.686 19727 211 1 1 . 1 1 45 45 ASN HA H 45 4.830 4.830 4.709 0.121 19727 212 1 1 . 1 1 45 45 ASN CA C 45 53.040 53.040 52.762 0.278 19727 213 1 1 . 1 1 45 45 ASN CB C 45 39.050 39.050 38.593 0.457 19727 214 1 1 . 1 1 45 45 ASN H H 45 8.769 8.769 8.790 -0.021 19727 215 1 1 . 1 1 46 46 LYS N N 46 120.293 120.293 119.862 0.431 19727 216 1 1 . 1 1 46 46 LYS HA H 46 4.890 4.890 4.694 0.196 19727 217 1 1 . 1 1 46 46 LYS CA C 46 55.760 55.760 55.359 0.401 19727 218 1 1 . 1 1 46 46 LYS CB C 46 34.610 34.610 35.476 -0.866 19727 219 1 1 . 1 1 46 46 LYS H H 46 7.873 7.873 7.800 0.073 19727 220 1 1 . 1 1 47 47 PHE N N 47 127.531 127.531 123.228 4.303 19727 221 1 1 . 1 1 47 47 PHE HA H 47 4.700 4.700 4.800 -0.100 19727 222 1 1 . 1 1 47 47 PHE CA C 47 56.450 56.450 53.708 2.742 19727 223 1 1 . 1 1 47 47 PHE CB C 47 43.050 43.050 41.025 2.025 19727 224 1 1 . 1 1 47 47 PHE H H 47 9.130 9.130 8.904 0.226 19727 225 1 1 . 1 1 48 48 THR N N 48 115.162 115.162 120.112 -4.950 19727 226 1 1 . 1 1 48 48 THR HA H 48 4.770 4.770 4.234 0.536 19727 227 1 1 . 1 1 48 48 THR CA C 48 62.090 62.090 61.695 0.395 19727 228 1 1 . 1 1 48 48 THR CB C 48 70.280 70.280 69.090 1.190 19727 229 1 1 . 1 1 48 48 THR H H 48 8.318 8.318 8.430 -0.112 19727 230 1 1 . 1 1 49 49 VAL N N 49 127.272 127.272 125.305 1.967 19727 231 1 1 . 1 1 49 49 VAL HA H 49 4.840 4.840 4.512 0.328 19727 232 1 1 . 1 1 49 49 VAL CA C 49 61.110 61.110 60.875 0.235 19727 233 1 1 . 1 1 49 49 VAL CB C 49 34.330 34.330 33.241 1.089 19727 234 1 1 . 1 1 49 49 VAL H H 49 9.580 9.580 7.394 2.186 19727 235 1 1 . 1 1 50 50 LYS N N 50 127.439 127.439 128.728 -1.289 19727 236 1 1 . 1 1 50 50 LYS HA H 50 4.993 4.993 4.595 0.398 19727 237 1 1 . 1 1 50 50 LYS CA C 50 55.500 55.500 54.869 0.631 19727 238 1 1 . 1 1 50 50 LYS CB C 50 33.320 33.320 33.392 -0.072 19727 239 1 1 . 1 1 50 50 LYS H H 50 9.175 9.175 8.677 0.498 19727 240 1 1 . 1 1 51 51 GLU N N 51 128.140 128.140 128.414 -0.274 19727 241 1 1 . 1 1 51 51 GLU HA H 51 5.090 5.090 5.153 -0.063 19727 242 1 1 . 1 1 51 51 GLU CA C 51 55.160 55.160 55.179 -0.019 19727 243 1 1 . 1 1 51 51 GLU CB C 51 31.450 31.450 31.892 -0.442 19727 244 1 1 . 1 1 51 51 GLU H H 51 9.173 9.173 8.805 0.368 19727 245 1 1 . 1 1 52 52 SER N N 52 120.997 120.997 118.465 2.532 19727 246 1 1 . 1 1 52 52 SER CA C 52 56.630 56.630 57.282 -0.652 19727 247 1 1 . 1 1 52 52 SER CB C 52 65.290 65.290 65.215 0.075 19727 248 1 1 . 1 1 52 52 SER H H 52 9.015 9.015 8.141 0.874 19727 249 1 1 . 1 1 53 53 SER N N 53 117.567 117.567 119.806 -2.239 19727 250 1 1 . 1 1 53 53 SER CA C 53 56.780 56.780 57.381 -0.601 19727 251 1 1 . 1 1 53 53 SER CB C 53 68.320 68.320 66.264 2.056 19727 252 1 1 . 1 1 53 53 SER H H 53 9.013 9.013 8.154 0.859 19727 253 1 1 . 1 1 54 54 ALA N N 54 119.830 119.830 124.604 -4.774 19727 254 1 1 . 1 1 54 54 ALA HA H 54 4.030 4.030 4.137 -0.107 19727 255 1 1 . 1 1 54 54 ALA CA C 54 54.030 54.030 54.770 -0.740 19727 256 1 1 . 1 1 54 54 ALA CB C 54 18.380 18.380 19.077 -0.697 19727 257 1 1 . 1 1 54 54 ALA H H 54 9.009 9.009 8.714 0.295 19727 258 1 1 . 1 1 55 55 PHE N N 55 112.640 112.640 116.022 -3.382 19727 259 1 1 . 1 1 55 55 PHE H H 55 8.050 8.050 7.889 0.161 19727 260 1 1 . 1 1 57 57 ASN N N 57 119.170 119.170 118.839 0.331 19727 261 1 1 . 1 1 57 57 ASN HA H 57 5.840 5.840 4.876 0.964 19727 262 1 1 . 1 1 57 57 ASN CA C 57 53.190 53.190 52.786 0.404 19727 263 1 1 . 1 1 57 57 ASN CB C 57 40.990 40.990 41.908 -0.918 19727 264 1 1 . 1 1 57 57 ASN H H 57 8.487 8.487 8.431 0.056 19727 265 1 1 . 1 1 58 58 ILE N N 58 117.653 117.653 120.264 -2.611 19727 266 1 1 . 1 1 58 58 ILE HA H 58 4.860 4.860 4.478 0.382 19727 267 1 1 . 1 1 58 58 ILE CA C 58 60.150 60.150 60.293 -0.143 19727 268 1 1 . 1 1 58 58 ILE CB C 58 43.590 43.590 42.694 0.896 19727 269 1 1 . 1 1 58 58 ILE H H 58 8.803 8.803 8.145 0.658 19727 270 1 1 . 1 1 59 59 GLU N N 59 123.376 123.376 123.417 -0.041 19727 271 1 1 . 1 1 59 59 GLU HA H 59 5.260 5.260 4.916 0.344 19727 272 1 1 . 1 1 59 59 GLU CA C 59 60.170 60.170 55.887 4.283 19727 273 1 1 . 1 1 59 59 GLU CB C 59 32.900 32.900 33.142 -0.242 19727 274 1 1 . 1 1 59 59 GLU H H 59 8.519 8.519 8.401 0.118 19727 275 1 1 . 1 1 60 60 VAL N N 60 127.157 127.157 123.559 3.598 19727 276 1 1 . 1 1 60 60 VAL HA H 60 4.460 4.460 4.272 0.188 19727 277 1 1 . 1 1 60 60 VAL CA C 60 61.730 61.730 60.746 0.984 19727 278 1 1 . 1 1 60 60 VAL CB C 60 35.030 35.030 34.544 0.486 19727 279 1 1 . 1 1 60 60 VAL H H 60 9.227 9.227 8.077 1.150 19727 280 1 1 . 1 1 61 61 VAL N N 61 125.109 125.109 125.047 0.062 19727 281 1 1 . 1 1 61 61 VAL HA H 61 5.160 5.160 4.000 1.160 19727 282 1 1 . 1 1 61 61 VAL CA C 61 60.350 60.350 62.072 -1.722 19727 283 1 1 . 1 1 61 61 VAL CB C 61 34.600 34.600 32.974 1.626 19727 284 1 1 . 1 1 61 61 VAL H H 61 8.179 8.179 8.017 0.162 19727 285 1 1 . 1 1 62 62 PHE N N 62 121.713 121.713 124.769 -3.056 19727 286 1 1 . 1 1 62 62 PHE HA H 62 4.840 4.840 4.858 -0.018 19727 287 1 1 . 1 1 62 62 PHE CA C 62 55.320 55.320 55.147 0.173 19727 288 1 1 . 1 1 62 62 PHE CB C 62 41.060 41.060 42.187 -1.127 19727 289 1 1 . 1 1 62 62 PHE H H 62 8.432 8.432 8.877 -0.445 19727 290 1 1 . 1 1 63 63 GLU N N 63 119.775 119.775 122.363 -2.588 19727 291 1 1 . 1 1 63 63 GLU HA H 63 5.330 5.330 4.751 0.579 19727 292 1 1 . 1 1 63 63 GLU CA C 63 53.700 53.700 55.108 -1.408 19727 293 1 1 . 1 1 63 63 GLU CB C 63 32.720 32.720 33.349 -0.629 19727 294 1 1 . 1 1 63 63 GLU H H 63 9.386 9.386 8.609 0.777 19727 295 1 1 . 1 1 64 64 LEU N N 64 124.568 124.568 126.948 -2.380 19727 296 1 1 . 1 1 64 64 LEU HA H 64 4.530 4.530 4.373 0.157 19727 297 1 1 . 1 1 64 64 LEU CA C 64 56.770 56.770 55.841 0.929 19727 298 1 1 . 1 1 64 64 LEU CB C 64 41.390 41.390 40.906 0.484 19727 299 1 1 . 1 1 64 64 LEU H H 64 8.834 8.834 8.690 0.144 19727 300 1 1 . 1 1 65 65 GLY N N 65 108.336 108.336 113.258 -4.922 19727 301 1 1 . 1 1 65 65 GLY CA C 65 46.210 46.210 44.871 1.339 19727 302 1 1 . 1 1 65 65 GLY H H 65 9.299 9.299 8.476 0.823 19727 303 1 1 . 1 1 66 66 VAL N N 66 121.972 121.972 118.437 3.535 19727 304 1 1 . 1 1 66 66 VAL HA H 66 4.380 4.380 4.531 -0.151 19727 305 1 1 . 1 1 66 66 VAL CA C 66 62.660 62.660 59.737 2.923 19727 306 1 1 . 1 1 66 66 VAL CB C 66 32.900 32.900 35.309 -2.409 19727 307 1 1 . 1 1 66 66 VAL H H 66 7.905 7.905 7.699 0.206 19727 308 1 1 . 1 1 67 67 THR N N 67 129.168 129.168 117.840 11.328 19727 309 1 1 . 1 1 67 67 THR HA H 67 4.390 4.390 4.648 -0.258 19727 310 1 1 . 1 1 67 67 THR CA C 67 64.580 64.580 62.260 2.320 19727 311 1 1 . 1 1 67 67 THR CB C 67 69.140 69.140 69.605 -0.465 19727 312 1 1 . 1 1 67 67 THR H H 67 8.784 8.784 8.117 0.667 19727 313 1 1 . 1 1 68 68 PHE N N 68 126.387 126.387 122.591 3.796 19727 314 1 1 . 1 1 68 68 PHE HA H 68 5.120 5.120 4.523 0.597 19727 315 1 1 . 1 1 68 68 PHE CA C 68 56.240 56.240 57.478 -1.238 19727 316 1 1 . 1 1 68 68 PHE CB C 68 41.980 41.980 40.486 1.494 19727 317 1 1 . 1 1 68 68 PHE H H 68 9.687 9.687 7.837 1.850 19727 318 1 1 . 1 1 69 69 ASN N N 69 116.298 116.298 120.141 -3.843 19727 319 1 1 . 1 1 69 69 ASN HA H 69 5.340 5.340 4.943 0.397 19727 320 1 1 . 1 1 69 69 ASN CA C 69 51.630 51.630 53.344 -1.714 19727 321 1 1 . 1 1 69 69 ASN CB C 69 40.640 40.640 41.429 -0.789 19727 322 1 1 . 1 1 69 69 ASN H H 69 8.370 8.370 8.419 -0.049 19727 323 1 1 . 1 1 70 70 TYR N N 70 120.913 120.913 121.419 -0.506 19727 324 1 1 . 1 1 70 70 TYR H H 70 8.655 8.655 8.139 0.516 19727 325 1 1 . 1 1 73 73 ALA HA H 73 3.760 3.760 4.051 -0.291 19727 326 1 1 . 1 1 73 73 ALA CA C 73 53.600 53.600 54.810 -1.210 19727 327 1 1 . 1 1 73 73 ALA CB C 73 17.960 17.960 18.730 -0.770 19727 328 1 1 . 1 1 74 74 ASP N N 74 113.641 113.641 117.808 -4.167 19727 329 1 1 . 1 1 74 74 ASP CA C 74 52.960 52.960 55.932 -2.972 19727 330 1 1 . 1 1 74 74 ASP CB C 74 39.210 39.210 40.846 -1.636 19727 331 1 1 . 1 1 74 74 ASP H H 74 8.575 8.575 8.283 0.292 19727 332 1 1 . 1 1 75 75 GLY N N 75 107.874 107.874 104.575 3.299 19727 333 1 1 . 1 1 75 75 GLY CA C 75 44.800 44.800 45.224 -0.424 19727 334 1 1 . 1 1 75 75 GLY H H 75 7.745 7.745 7.844 -0.099 19727 335 1 1 . 1 1 76 76 THR N N 76 119.192 119.192 114.763 4.429 19727 336 1 1 . 1 1 76 76 THR CA C 76 64.980 64.980 60.765 4.215 19727 337 1 1 . 1 1 76 76 THR CB C 76 68.240 68.240 69.964 -1.724 19727 338 1 1 . 1 1 76 76 THR H H 76 7.724 7.724 7.699 0.025 19727 339 1 1 . 1 1 77 77 GLU N N 77 128.678 128.678 123.455 5.223 19727 340 1 1 . 1 1 77 77 GLU CA C 77 56.450 56.450 55.156 1.294 19727 341 1 1 . 1 1 77 77 GLU CB C 77 31.500 31.500 32.382 -0.881 19727 342 1 1 . 1 1 77 77 GLU H H 77 8.468 8.468 8.686 -0.218 19727 343 1 1 . 1 1 78 78 LEU N N 78 124.431 124.431 124.668 -0.237 19727 344 1 1 . 1 1 78 78 LEU HA H 78 5.130 5.130 5.008 0.122 19727 345 1 1 . 1 1 78 78 LEU CA C 78 53.230 53.230 54.213 -0.983 19727 346 1 1 . 1 1 78 78 LEU CB C 78 45.400 45.400 45.019 0.381 19727 347 1 1 . 1 1 78 78 LEU H H 78 8.875 8.875 8.579 0.296 19727 348 1 1 . 1 1 79 79 ARG HA H 79 5.390 5.390 5.267 0.123 19727 349 1 1 . 1 1 79 79 ARG CA C 79 54.560 54.560 54.763 -0.203 19727 350 1 1 . 1 1 79 79 ARG CB C 79 33.860 33.860 32.951 0.909 19727 351 1 1 . 1 1 80 80 GLY N N 80 115.450 115.450 111.195 4.255 19727 352 1 1 . 1 1 80 80 GLY CA C 80 46.730 46.730 45.442 1.288 19727 353 1 1 . 1 1 80 80 GLY H H 80 9.026 9.026 8.556 0.470 19727 354 1 1 . 1 1 81 81 THR N N 81 106.379 106.379 111.241 -4.862 19727 355 1 1 . 1 1 81 81 THR HA H 81 4.680 4.680 5.050 -0.370 19727 356 1 1 . 1 1 81 81 THR CA C 81 59.010 59.010 60.761 -1.751 19727 357 1 1 . 1 1 81 81 THR CB C 81 73.140 73.140 71.675 1.465 19727 358 1 1 . 1 1 81 81 THR H H 81 6.937 6.937 7.525 -0.588 19727 359 1 1 . 1 1 82 82 TRP N N 82 120.025 120.025 120.456 -0.431 19727 360 1 1 . 1 1 82 82 TRP HA H 82 5.350 5.350 4.578 0.772 19727 361 1 1 . 1 1 82 82 TRP CA C 82 56.400 56.400 57.028 -0.628 19727 362 1 1 . 1 1 82 82 TRP CB C 82 33.630 33.630 32.745 0.885 19727 363 1 1 . 1 1 82 82 TRP H H 82 9.126 9.126 7.901 1.225 19727 364 1 1 . 1 1 83 83 SER N N 83 115.180 115.180 118.433 -3.253 19727 365 1 1 . 1 1 83 83 SER HA H 83 5.490 5.490 4.599 0.891 19727 366 1 1 . 1 1 83 83 SER CA C 83 57.080 57.080 57.100 -0.020 19727 367 1 1 . 1 1 83 83 SER CB C 83 65.680 65.680 65.636 0.044 19727 368 1 1 . 1 1 83 83 SER H H 83 9.045 9.045 7.698 1.347 19727 369 1 1 . 1 1 84 84 LEU N N 84 125.420 125.420 124.019 1.401 19727 370 1 1 . 1 1 84 84 LEU HA H 84 5.200 5.200 4.869 0.331 19727 371 1 1 . 1 1 84 84 LEU CA C 84 54.600 54.600 54.290 0.310 19727 372 1 1 . 1 1 84 84 LEU CB C 84 45.130 45.130 45.182 -0.052 19727 373 1 1 . 1 1 84 84 LEU H H 84 8.889 8.889 8.353 0.536 19727 374 1 1 . 1 1 85 85 GLU N N 85 127.397 127.397 124.850 2.547 19727 375 1 1 . 1 1 85 85 GLU HA H 85 4.610 4.610 4.556 0.054 19727 376 1 1 . 1 1 85 85 GLU CA C 85 55.310 55.310 55.073 0.237 19727 377 1 1 . 1 1 85 85 GLU CB C 85 31.470 31.470 29.524 1.946 19727 378 1 1 . 1 1 85 85 GLU H H 85 8.964 8.964 8.919 0.045 19727 379 1 1 . 1 1 86 86 GLY N N 86 117.395 117.395 117.299 0.096 19727 380 1 1 . 1 1 86 86 GLY CA C 86 47.580 47.580 46.758 0.822 19727 381 1 1 . 1 1 86 86 GLY H H 86 9.039 9.039 8.681 0.358 19727 382 1 1 . 1 1 87 87 ASN N N 87 122.457 122.457 122.482 -0.025 19727 383 1 1 . 1 1 87 87 ASN HA H 87 4.820 4.820 4.956 -0.136 19727 384 1 1 . 1 1 87 87 ASN CA C 87 53.170 53.170 52.874 0.295 19727 385 1 1 . 1 1 87 87 ASN CB C 87 38.800 38.800 39.877 -1.077 19727 386 1 1 . 1 1 87 87 ASN H H 87 8.765 8.765 8.681 0.084 19727 387 1 1 . 1 1 88 88 LYS N N 88 117.971 117.971 118.808 -0.837 19727 388 1 1 . 1 1 88 88 LYS HA H 88 4.960 4.960 4.931 0.029 19727 389 1 1 . 1 1 88 88 LYS CA C 88 56.000 56.000 55.496 0.504 19727 390 1 1 . 1 1 88 88 LYS CB C 88 35.580 35.580 36.391 -0.811 19727 391 1 1 . 1 1 88 88 LYS H H 88 7.986 7.986 7.449 0.537 19727 392 1 1 . 1 1 89 89 LEU N N 89 122.876 122.876 119.811 3.065 19727 393 1 1 . 1 1 89 89 LEU HA H 89 5.010 5.010 4.931 0.079 19727 394 1 1 . 1 1 89 89 LEU CA C 89 53.450 53.450 53.638 -0.188 19727 395 1 1 . 1 1 89 89 LEU CB C 89 43.856 43.856 43.997 -0.141 19727 396 1 1 . 1 1 89 89 LEU H H 89 8.622 8.622 8.121 0.501 19727 397 1 1 . 1 1 90 90 ILE N N 90 124.780 124.780 120.308 4.472 19727 398 1 1 . 1 1 90 90 ILE HA H 90 4.600 4.600 4.850 -0.250 19727 399 1 1 . 1 1 90 90 ILE CA C 90 60.250 60.250 59.574 0.676 19727 400 1 1 . 1 1 90 90 ILE CB C 90 38.760 38.760 38.308 0.452 19727 401 1 1 . 1 1 90 90 ILE H H 90 9.589 9.589 8.536 1.053 19727 402 1 1 . 1 1 91 91 GLY N N 91 121.700 121.700 114.051 7.649 19727 403 1 1 . 1 1 91 91 GLY CA C 91 44.680 44.680 43.620 1.060 19727 404 1 1 . 1 1 91 91 GLY H H 91 9.620 9.620 7.919 1.701 19727 405 1 1 . 1 1 92 92 LYS N N 92 127.600 127.600 117.898 9.702 19727 406 1 1 . 1 1 92 92 LYS HA H 92 4.710 4.710 4.956 -0.246 19727 407 1 1 . 1 1 92 92 LYS CA C 92 55.450 55.450 55.564 -0.114 19727 408 1 1 . 1 1 92 92 LYS CB C 92 33.530 33.530 37.332 -3.802 19727 409 1 1 . 1 1 92 92 LYS H H 92 7.730 7.730 8.091 -0.361 19727 410 1 1 . 1 1 93 93 PHE N N 93 122.003 122.003 120.286 1.717 19727 411 1 1 . 1 1 93 93 PHE HA H 93 5.200 5.200 5.041 0.159 19727 412 1 1 . 1 1 93 93 PHE CA C 93 55.960 55.960 57.022 -1.062 19727 413 1 1 . 1 1 93 93 PHE CB C 93 44.350 44.350 44.222 0.128 19727 414 1 1 . 1 1 93 93 PHE H H 93 8.443 8.443 8.622 -0.179 19727 415 1 1 . 1 1 94 94 LYS N N 94 119.319 119.319 118.966 0.353 19727 416 1 1 . 1 1 94 94 LYS HA H 94 5.050 5.050 5.430 -0.380 19727 417 1 1 . 1 1 94 94 LYS CA C 94 55.150 55.150 55.170 -0.020 19727 418 1 1 . 1 1 94 94 LYS CB C 94 36.180 36.180 36.051 0.129 19727 419 1 1 . 1 1 94 94 LYS H H 94 8.803 8.803 8.728 0.075 19727 420 1 1 . 1 1 95 95 ARG N N 95 122.142 122.142 125.793 -3.651 19727 421 1 1 . 1 1 95 95 ARG HA H 95 4.760 4.760 5.002 -0.242 19727 422 1 1 . 1 1 95 95 ARG CA C 95 56.030 56.030 56.628 -0.598 19727 423 1 1 . 1 1 95 95 ARG CB C 95 31.720 31.720 31.451 0.269 19727 424 1 1 . 1 1 95 95 ARG H H 95 8.738 8.738 8.620 0.118 19727 425 1 1 . 1 1 96 96 THR N N 96 117.210 117.210 118.679 -1.469 19727 426 1 1 . 1 1 96 96 THR HA H 96 4.060 4.060 4.141 -0.081 19727 427 1 1 . 1 1 96 96 THR CA C 96 64.140 64.140 65.400 -1.260 19727 428 1 1 . 1 1 96 96 THR CB C 96 68.570 68.570 68.796 -0.226 19727 429 1 1 . 1 1 96 96 THR H H 96 8.520 8.520 8.734 -0.214 19727 430 1 1 . 1 1 97 97 ASP N N 97 120.647 120.647 121.079 -0.432 19727 431 1 1 . 1 1 97 97 ASP HA H 97 4.330 4.330 4.395 -0.065 19727 432 1 1 . 1 1 97 97 ASP CA C 97 56.200 56.200 56.641 -0.440 19727 433 1 1 . 1 1 97 97 ASP CB C 97 38.860 38.860 41.134 -2.274 19727 434 1 1 . 1 1 97 97 ASP H H 97 8.932 8.932 8.358 0.574 19727 435 1 1 . 1 1 98 98 ASN N N 98 116.362 116.362 115.696 0.666 19727 436 1 1 . 1 1 98 98 ASN HA H 98 4.750 4.750 4.745 0.005 19727 437 1 1 . 1 1 98 98 ASN CA C 98 51.640 51.640 53.182 -1.542 19727 438 1 1 . 1 1 98 98 ASN CB C 98 39.340 39.340 39.317 0.023 19727 439 1 1 . 1 1 98 98 ASN H H 98 8.614 8.614 7.958 0.656 19727 440 1 1 . 1 1 99 99 GLY N N 99 107.794 107.794 109.295 -1.501 19727 441 1 1 . 1 1 99 99 GLY CA C 99 46.300 46.300 46.176 0.124 19727 442 1 1 . 1 1 99 99 GLY H H 99 7.811 7.811 8.118 -0.307 19727 443 1 1 . 1 1 100 100 ASN N N 100 118.972 118.972 118.701 0.271 19727 444 1 1 . 1 1 100 100 ASN HA H 100 4.690 4.690 4.467 0.223 19727 445 1 1 . 1 1 100 100 ASN CA C 100 53.210 53.210 54.069 -0.859 19727 446 1 1 . 1 1 100 100 ASN CB C 100 38.970 38.970 39.870 -0.900 19727 447 1 1 . 1 1 100 100 ASN H H 100 8.416 8.416 7.929 0.487 19727 448 1 1 . 1 1 101 101 GLU N N 101 119.642 119.642 121.566 -1.924 19727 449 1 1 . 1 1 101 101 GLU HA H 101 4.790 4.790 4.464 0.326 19727 450 1 1 . 1 1 101 101 GLU CA C 101 57.020 57.020 56.675 0.345 19727 451 1 1 . 1 1 101 101 GLU CB C 101 31.970 31.970 31.219 0.751 19727 452 1 1 . 1 1 101 101 GLU H H 101 8.730 8.730 8.331 0.399 19727 453 1 1 . 1 1 102 102 LEU N N 102 125.033 125.033 125.035 -0.002 19727 454 1 1 . 1 1 102 102 LEU HA H 102 5.200 5.200 5.493 -0.293 19727 455 1 1 . 1 1 102 102 LEU CA C 102 55.260 55.260 54.007 1.253 19727 456 1 1 . 1 1 102 102 LEU CB C 102 45.870 45.870 46.478 -0.608 19727 457 1 1 . 1 1 102 102 LEU H H 102 8.908 8.908 8.489 0.419 19727 458 1 1 . 1 1 103 103 ASN N N 103 123.919 123.919 125.175 -1.256 19727 459 1 1 . 1 1 103 103 ASN HA H 103 5.670 5.670 5.439 0.231 19727 460 1 1 . 1 1 103 103 ASN CA C 103 52.150 52.150 52.475 -0.325 19727 461 1 1 . 1 1 103 103 ASN CB C 103 41.970 41.970 42.626 -0.655 19727 462 1 1 . 1 1 103 103 ASN H H 103 8.452 8.452 9.582 -1.129 19727 463 1 1 . 1 1 104 104 THR N N 104 117.100 117.100 116.209 0.891 19727 464 1 1 . 1 1 104 104 THR HA H 104 5.530 5.530 5.107 0.423 19727 465 1 1 . 1 1 104 104 THR CA C 104 58.550 58.550 60.690 -2.140 19727 466 1 1 . 1 1 104 104 THR CB C 104 70.450 70.450 70.534 -0.084 19727 467 1 1 . 1 1 104 104 THR H H 104 9.050 9.050 8.629 0.421 19727 468 1 1 . 1 1 105 105 VAL HA H 105 5.290 5.290 4.609 0.681 19727 469 1 1 . 1 1 105 105 VAL CA C 105 61.070 61.070 60.647 0.423 19727 470 1 1 . 1 1 105 105 VAL CB C 105 36.290 36.290 33.645 2.645 19727 471 1 1 . 1 1 106 106 ARG N N 106 124.249 124.249 127.942 -3.693 19727 472 1 1 . 1 1 106 106 ARG CA C 106 54.890 54.890 54.689 0.201 19727 473 1 1 . 1 1 106 106 ARG CB C 106 33.890 33.890 31.428 2.462 19727 474 1 1 . 1 1 106 106 ARG H H 106 9.466 9.466 8.598 0.868 19727 475 1 1 . 1 1 107 107 GLU N N 107 120.784 120.784 124.277 -3.493 19727 476 1 1 . 1 1 107 107 GLU HA H 107 4.960 4.960 4.808 0.152 19727 477 1 1 . 1 1 107 107 GLU CA C 107 54.810 54.810 54.367 0.443 19727 478 1 1 . 1 1 107 107 GLU CB C 107 33.800 33.800 33.066 0.734 19727 479 1 1 . 1 1 107 107 GLU H H 107 8.605 8.605 8.145 0.460 19727 480 1 1 . 1 1 108 108 ILE N N 108 124.182 124.182 121.981 2.201 19727 481 1 1 . 1 1 108 108 ILE HA H 108 4.780 4.780 4.341 0.439 19727 482 1 1 . 1 1 108 108 ILE CA C 108 59.050 59.050 59.942 -0.892 19727 483 1 1 . 1 1 108 108 ILE CB C 108 36.670 36.670 36.022 0.648 19727 484 1 1 . 1 1 108 108 ILE H H 108 8.732 8.732 8.922 -0.190 19727 485 1 1 . 1 1 109 109 ILE N N 109 129.631 129.631 131.019 -1.388 19727 486 1 1 . 1 1 109 109 ILE HA H 109 4.250 4.250 4.045 0.205 19727 487 1 1 . 1 1 109 109 ILE CA C 109 61.100 61.100 58.759 2.341 19727 488 1 1 . 1 1 109 109 ILE CB C 109 39.290 39.290 36.016 3.274 19727 489 1 1 . 1 1 109 109 ILE H H 109 8.903 8.903 8.195 0.708 19727 490 1 1 . 1 1 110 110 GLY N N 110 119.473 119.473 116.171 3.302 19727 491 1 1 . 1 1 110 110 GLY CA C 110 47.690 47.690 45.679 2.011 19727 492 1 1 . 1 1 110 110 GLY H H 110 9.123 9.123 8.148 0.975 19727 493 1 1 . 1 1 111 111 ASP N N 111 123.998 123.998 125.611 -1.613 19727 494 1 1 . 1 1 111 111 ASP HA H 111 4.750 4.750 4.510 0.240 19727 495 1 1 . 1 1 111 111 ASP CA C 111 54.100 54.100 54.660 -0.560 19727 496 1 1 . 1 1 111 111 ASP CB C 111 41.490 41.490 40.866 0.624 19727 497 1 1 . 1 1 111 111 ASP H H 111 8.699 8.699 8.795 -0.096 19727 498 1 1 . 1 1 112 112 GLU N N 112 118.194 118.194 116.796 1.398 19727 499 1 1 . 1 1 112 112 GLU HA H 112 5.150 5.150 4.698 0.452 19727 500 1 1 . 1 1 112 112 GLU CA C 112 55.560 55.560 54.503 1.057 19727 501 1 1 . 1 1 112 112 GLU CB C 112 33.200 33.200 33.395 -0.195 19727 502 1 1 . 1 1 112 112 GLU H H 112 7.924 7.924 7.438 0.486 19727 503 1 1 . 1 1 113 113 LEU N N 113 123.501 123.501 120.522 2.979 19727 504 1 1 . 1 1 113 113 LEU HA H 113 4.400 4.400 5.077 -0.677 19727 505 1 1 . 1 1 113 113 LEU CA C 113 54.140 54.140 53.623 0.517 19727 506 1 1 . 1 1 113 113 LEU CB C 113 42.180 42.180 44.758 -2.578 19727 507 1 1 . 1 1 113 113 LEU H H 113 7.851 7.851 8.329 -0.478 19727 508 1 1 . 1 1 114 114 VAL N N 114 127.898 127.898 125.605 2.293 19727 509 1 1 . 1 1 114 114 VAL HA H 114 4.520 4.520 4.531 -0.011 19727 510 1 1 . 1 1 114 114 VAL CA C 114 62.290 62.290 59.524 2.766 19727 511 1 1 . 1 1 114 114 VAL CB C 114 33.430 33.430 32.918 0.512 19727 512 1 1 . 1 1 114 114 VAL H H 114 9.357 9.357 8.564 0.793 19727 513 1 1 . 1 1 115 115 GLN N N 115 130.218 130.218 130.043 0.175 19727 514 1 1 . 1 1 115 115 GLN HA H 115 5.710 5.710 4.996 0.714 19727 515 1 1 . 1 1 115 115 GLN CA C 115 53.930 53.930 54.887 -0.957 19727 516 1 1 . 1 1 115 115 GLN CB C 115 30.060 30.060 31.662 -1.601 19727 517 1 1 . 1 1 115 115 GLN H H 115 9.552 9.552 9.157 0.395 19727 518 1 1 . 1 1 116 116 THR N N 116 121.078 121.078 119.062 2.016 19727 519 1 1 . 1 1 116 116 THR HA H 116 5.080 5.080 5.045 0.035 19727 520 1 1 . 1 1 116 116 THR CA C 116 61.800 61.800 61.429 0.371 19727 521 1 1 . 1 1 116 116 THR CB C 116 70.470 70.470 69.694 0.776 19727 522 1 1 . 1 1 116 116 THR H H 116 8.832 8.832 8.307 0.525 19727 523 1 1 . 1 1 117 117 TYR N N 117 125.712 125.712 126.232 -0.520 19727 524 1 1 . 1 1 117 117 TYR HA H 117 4.950 4.950 5.790 -0.840 19727 525 1 1 . 1 1 117 117 TYR CA C 117 56.430 56.430 56.087 0.343 19727 526 1 1 . 1 1 117 117 TYR CB C 117 42.110 42.110 41.843 0.267 19727 527 1 1 . 1 1 117 117 TYR H H 117 9.440 9.440 9.851 -0.411 19727 528 1 1 . 1 1 118 118 VAL N N 118 120.314 120.314 119.997 0.317 19727 529 1 1 . 1 1 118 118 VAL HA H 118 5.350 5.350 5.153 0.197 19727 530 1 1 . 1 1 118 118 VAL CA C 118 62.170 62.170 60.445 1.725 19727 531 1 1 . 1 1 118 118 VAL CB C 118 34.810 34.810 36.225 -1.415 19727 532 1 1 . 1 1 118 118 VAL H H 118 9.026 9.026 9.617 -0.591 19727 533 1 1 . 1 1 119 119 TYR N N 119 127.564 127.564 128.393 -0.829 19727 534 1 1 . 1 1 119 119 TYR HA H 119 4.940 4.940 5.365 -0.425 19727 535 1 1 . 1 1 119 119 TYR CA C 119 58.170 58.170 56.670 1.500 19727 536 1 1 . 1 1 119 119 TYR CB C 119 43.490 43.490 40.199 3.291 19727 537 1 1 . 1 1 119 119 TYR H H 119 9.041 9.041 9.358 -0.317 19727 538 1 1 . 1 1 120 120 GLU N N 120 125.533 125.533 129.096 -3.563 19727 539 1 1 . 1 1 120 120 GLU HA H 120 3.430 3.430 3.776 -0.346 19727 540 1 1 . 1 1 120 120 GLU CA C 120 56.140 56.140 57.564 -1.424 19727 541 1 1 . 1 1 120 120 GLU CB C 120 28.400 28.400 27.815 0.585 19727 542 1 1 . 1 1 120 120 GLU H H 120 9.509 9.509 8.630 0.879 19727 543 1 1 . 1 1 121 121 GLY N N 121 102.076 102.076 108.567 -6.491 19727 544 1 1 . 1 1 121 121 GLY CA C 121 45.480 45.480 45.505 -0.025 19727 545 1 1 . 1 1 121 121 GLY H H 121 8.374 8.374 8.411 -0.037 19727 546 1 1 . 1 1 122 122 VAL N N 122 123.797 123.797 123.605 0.192 19727 547 1 1 . 1 1 122 122 VAL HA H 122 4.190 4.190 4.207 -0.017 19727 548 1 1 . 1 1 122 122 VAL CA C 122 62.660 62.660 62.051 0.609 19727 549 1 1 . 1 1 122 122 VAL CB C 122 32.980 32.980 32.036 0.944 19727 550 1 1 . 1 1 122 122 VAL H H 122 8.371 8.371 7.964 0.407 19727 551 1 1 . 1 1 123 123 GLU N N 123 126.257 126.257 129.473 -3.216 19727 552 1 1 . 1 1 123 123 GLU HA H 123 5.670 5.670 5.359 0.311 19727 553 1 1 . 1 1 123 123 GLU CA C 123 54.010 54.010 55.102 -1.092 19727 554 1 1 . 1 1 123 123 GLU CB C 123 32.850 32.850 32.486 0.364 19727 555 1 1 . 1 1 123 123 GLU H H 123 8.511 8.511 8.938 -0.427 19727 556 1 1 . 1 1 124 124 ALA N N 124 126.354 126.354 129.658 -3.304 19727 557 1 1 . 1 1 124 124 ALA HA H 124 5.150 5.150 4.957 0.193 19727 558 1 1 . 1 1 124 124 ALA CA C 124 50.860 50.860 50.492 0.368 19727 559 1 1 . 1 1 124 124 ALA CB C 124 24.060 24.060 21.746 2.314 19727 560 1 1 . 1 1 124 124 ALA H H 124 9.258 9.258 9.487 -0.229 19727 561 1 1 . 1 1 125 125 LYS N N 125 115.989 115.989 122.966 -6.977 19727 562 1 1 . 1 1 125 125 LYS HA H 125 5.760 5.760 5.398 0.362 19727 563 1 1 . 1 1 125 125 LYS CA C 125 55.130 55.130 55.020 0.110 19727 564 1 1 . 1 1 125 125 LYS CB C 125 38.130 38.130 36.590 1.540 19727 565 1 1 . 1 1 125 125 LYS H H 125 8.847 8.847 8.612 0.235 19727 566 1 1 . 1 1 126 126 ARG N N 126 120.557 120.557 121.093 -0.536 19727 567 1 1 . 1 1 126 126 ARG HA H 126 4.750 4.750 4.792 -0.042 19727 568 1 1 . 1 1 126 126 ARG CA C 126 56.940 56.940 56.290 0.650 19727 569 1 1 . 1 1 126 126 ARG CB C 126 34.040 34.040 33.416 0.624 19727 570 1 1 . 1 1 126 126 ARG H H 126 9.241 9.241 9.268 -0.027 19727 571 1 1 . 1 1 127 127 ILE N N 127 122.970 122.970 126.738 -3.768 19727 572 1 1 . 1 1 127 127 ILE HA H 127 5.020 5.020 4.758 0.262 19727 573 1 1 . 1 1 127 127 ILE CA C 127 61.670 61.670 59.360 2.310 19727 574 1 1 . 1 1 127 127 ILE CB C 127 40.200 40.200 37.599 2.601 19727 575 1 1 . 1 1 127 127 ILE H H 127 8.785 8.785 8.290 0.495 19727 576 1 1 . 1 1 128 128 PHE N N 128 126.381 126.381 128.255 -1.874 19727 577 1 1 . 1 1 128 128 PHE HA H 128 5.260 5.260 4.854 0.406 19727 578 1 1 . 1 1 128 128 PHE CA C 128 56.050 56.050 56.419 -0.369 19727 579 1 1 . 1 1 128 128 PHE CB C 128 42.730 42.730 43.141 -0.411 19727 580 1 1 . 1 1 128 128 PHE H H 128 10.070 10.070 9.221 0.849 19727 581 1 1 . 1 1 129 129 LYS N N 129 118.294 118.294 121.692 -3.398 19727 582 1 1 . 1 1 129 129 LYS HA H 129 5.310 5.310 4.136 1.174 19727 583 1 1 . 1 1 129 129 LYS CA C 129 54.740 54.740 54.187 0.553 19727 584 1 1 . 1 1 129 129 LYS CB C 129 37.070 37.070 37.171 -0.101 19727 585 1 1 . 1 1 129 129 LYS H H 129 8.866 8.866 7.094 1.772 19727 586 1 1 . 1 1 130 130 LYS N N 130 123.147 123.147 119.449 3.698 19727 587 1 1 . 1 1 130 130 LYS HA H 130 4.090 4.090 4.367 -0.277 19727 588 1 1 . 1 1 130 130 LYS CA C 130 57.790 57.790 54.567 3.223 19727 589 1 1 . 1 1 130 130 LYS CB C 130 33.020 33.020 34.215 -1.195 19727 590 1 1 . 1 1 130 130 LYS H H 130 9.057 9.057 7.998 1.059 19727 591 1 2 . 1 1 2 2 PHE N N 2 113.067 113.067 119.699 -6.632 19727 592 1 2 . 1 1 2 2 PHE HA H 2 4.440 4.440 4.874 -0.434 19727 593 1 2 . 1 1 2 2 PHE CA C 2 59.610 59.610 57.672 1.938 19727 594 1 2 . 1 1 2 2 PHE CB C 2 39.760 39.760 39.403 0.357 19727 595 1 2 . 1 1 2 2 PHE H H 2 8.270 8.270 8.254 0.016 19727 596 1 2 . 1 1 3 3 ASP N N 3 118.589 118.589 120.670 -2.081 19727 597 1 2 . 1 1 3 3 ASP HA H 3 4.890 4.890 4.420 0.470 19727 598 1 2 . 1 1 3 3 ASP CA C 3 55.030 55.030 55.560 -0.530 19727 599 1 2 . 1 1 3 3 ASP CB C 3 39.460 39.460 39.887 -0.427 19727 600 1 2 . 1 1 3 3 ASP H H 3 7.554 7.554 8.235 -0.681 19727 601 1 2 . 1 1 4 4 SER N N 4 120.654 120.654 117.350 3.304 19727 602 1 2 . 1 1 4 4 SER HA H 4 4.250 4.250 4.683 -0.433 19727 603 1 2 . 1 1 4 4 SER CA C 4 59.530 59.530 58.133 1.397 19727 604 1 2 . 1 1 4 4 SER CB C 4 65.300 65.300 65.170 0.130 19727 605 1 2 . 1 1 4 4 SER H H 4 8.250 8.250 8.477 -0.227 19727 606 1 2 . 1 1 5 5 THR N N 5 115.812 115.812 119.171 -3.359 19727 607 1 2 . 1 1 5 5 THR HA H 5 5.160 5.160 4.535 0.625 19727 608 1 2 . 1 1 5 5 THR CA C 5 63.480 63.480 63.225 0.255 19727 609 1 2 . 1 1 5 5 THR CB C 5 69.630 69.630 69.466 0.164 19727 610 1 2 . 1 1 5 5 THR H H 5 8.041 8.041 8.886 -0.845 19727 611 1 2 . 1 1 6 6 TRP N N 6 128.256 128.256 128.368 -0.112 19727 612 1 2 . 1 1 6 6 TRP HA H 6 5.240 5.240 5.401 -0.161 19727 613 1 2 . 1 1 6 6 TRP CA C 6 55.770 55.770 55.029 0.741 19727 614 1 2 . 1 1 6 6 TRP CB C 6 32.800 32.800 30.977 1.823 19727 615 1 2 . 1 1 6 6 TRP H H 6 9.514 9.514 9.334 0.180 19727 616 1 2 . 1 1 7 7 LYS N N 7 122.895 122.895 123.269 -0.374 19727 617 1 2 . 1 1 7 7 LYS HA H 7 5.490 5.490 5.035 0.455 19727 618 1 2 . 1 1 7 7 LYS CA C 7 54.680 54.680 54.940 -0.260 19727 619 1 2 . 1 1 7 7 LYS CB C 7 35.840 35.840 35.346 0.494 19727 620 1 2 . 1 1 7 7 LYS H H 7 9.954 9.954 8.719 1.235 19727 621 1 2 . 1 1 8 8 VAL N N 8 128.078 128.078 124.777 3.301 19727 622 1 2 . 1 1 8 8 VAL HA H 8 3.280 3.280 4.175 -0.895 19727 623 1 2 . 1 1 8 8 VAL CA C 8 64.810 64.810 63.525 1.285 19727 624 1 2 . 1 1 8 8 VAL CB C 8 31.790 31.790 32.947 -1.157 19727 625 1 2 . 1 1 8 8 VAL H H 8 8.780 8.780 7.993 0.787 19727 626 1 2 . 1 1 9 9 ASP N N 9 127.565 127.565 127.984 -0.419 19727 627 1 2 . 1 1 9 9 ASP HA H 9 4.930 4.930 4.663 0.267 19727 628 1 2 . 1 1 9 9 ASP CA C 9 55.750 55.750 55.972 -0.222 19727 629 1 2 . 1 1 9 9 ASP CB C 9 46.830 46.830 42.981 3.849 19727 630 1 2 . 1 1 9 9 ASP H H 9 9.712 9.712 8.319 1.393 19727 631 1 2 . 1 1 10 10 ARG N N 10 112.578 112.578 117.940 -5.362 19727 632 1 2 . 1 1 10 10 ARG HA H 10 4.740 4.740 4.605 0.135 19727 633 1 2 . 1 1 10 10 ARG CA C 10 55.200 55.200 55.220 -0.020 19727 634 1 2 . 1 1 10 10 ARG CB C 10 31.470 31.470 32.441 -0.971 19727 635 1 2 . 1 1 10 10 ARG H H 10 7.823 7.823 7.597 0.226 19727 636 1 2 . 1 1 11 11 SER N N 11 113.123 113.123 115.254 -2.131 19727 637 1 2 . 1 1 11 11 SER HA H 11 5.270 5.270 4.690 0.580 19727 638 1 2 . 1 1 11 11 SER CA C 11 57.490 57.490 56.997 0.493 19727 639 1 2 . 1 1 11 11 SER CB C 11 66.620 66.620 66.275 0.346 19727 640 1 2 . 1 1 11 11 SER H H 11 8.602 8.602 8.294 0.308 19727 641 1 2 . 1 1 12 12 GLU N N 12 121.867 121.867 121.649 0.218 19727 642 1 2 . 1 1 12 12 GLU HA H 12 4.760 4.760 4.589 0.171 19727 643 1 2 . 1 1 12 12 GLU CA C 12 55.420 55.420 55.836 -0.416 19727 644 1 2 . 1 1 12 12 GLU CB C 12 33.060 33.060 32.657 0.403 19727 645 1 2 . 1 1 12 12 GLU H H 12 9.447 9.447 9.088 0.359 19727 646 1 2 . 1 1 13 13 ASN N N 13 121.822 121.822 122.282 -0.460 19727 647 1 2 . 1 1 13 13 ASN HA H 13 4.720 4.720 4.366 0.354 19727 648 1 2 . 1 1 13 13 ASN CA C 13 54.200 54.200 54.839 -0.639 19727 649 1 2 . 1 1 13 13 ASN CB C 13 39.870 39.870 38.085 1.785 19727 650 1 2 . 1 1 13 13 ASN H H 13 9.350 9.350 9.099 0.251 19727 651 1 2 . 1 1 14 14 TYR N N 14 120.082 120.082 118.414 1.668 19727 652 1 2 . 1 1 14 14 TYR HA H 14 4.290 4.290 3.903 0.387 19727 653 1 2 . 1 1 14 14 TYR CA C 14 60.700 60.700 61.183 -0.483 19727 654 1 2 . 1 1 14 14 TYR CB C 14 39.620 39.620 38.164 1.456 19727 655 1 2 . 1 1 14 14 TYR H H 14 8.357 8.357 8.403 -0.046 19727 656 1 2 . 1 1 15 15 ASP N N 15 118.245 118.245 117.840 0.405 19727 657 1 2 . 1 1 15 15 ASP HA H 15 4.060 4.060 4.352 -0.292 19727 658 1 2 . 1 1 15 15 ASP CA C 15 58.620 58.620 57.317 1.303 19727 659 1 2 . 1 1 15 15 ASP CB C 15 41.140 41.140 40.519 0.621 19727 660 1 2 . 1 1 15 15 ASP H H 15 8.562 8.562 8.760 -0.198 19727 661 1 2 . 1 1 16 16 LYS N N 16 118.806 118.806 119.503 -0.697 19727 662 1 2 . 1 1 16 16 LYS HA H 16 4.050 4.050 4.136 -0.086 19727 663 1 2 . 1 1 16 16 LYS CA C 16 58.610 58.610 59.528 -0.918 19727 664 1 2 . 1 1 16 16 LYS CB C 16 31.550 31.550 32.483 -0.933 19727 665 1 2 . 1 1 16 16 LYS H H 16 7.801 7.801 7.827 -0.026 19727 666 1 2 . 1 1 17 17 PHE N N 17 120.733 120.733 116.111 4.622 19727 667 1 2 . 1 1 17 17 PHE HA H 17 4.020 4.020 4.397 -0.377 19727 668 1 2 . 1 1 17 17 PHE CA C 17 61.620 61.620 59.809 1.810 19727 669 1 2 . 1 1 17 17 PHE CB C 17 40.250 40.250 38.298 1.952 19727 670 1 2 . 1 1 17 17 PHE H H 17 7.543 7.543 8.141 -0.598 19727 671 1 2 . 1 1 18 18 MET N N 18 117.590 117.590 118.638 -1.048 19727 672 1 2 . 1 1 18 18 MET HA H 18 3.210 3.210 4.116 -0.906 19727 673 1 2 . 1 1 18 18 MET CA C 18 59.860 59.860 59.111 0.749 19727 674 1 2 . 1 1 18 18 MET CB C 18 34.110 34.110 32.310 1.800 19727 675 1 2 . 1 1 18 18 MET H H 18 8.063 8.063 7.610 0.453 19727 676 1 2 . 1 1 19 19 GLU N N 19 120.480 120.480 119.233 1.247 19727 677 1 2 . 1 1 19 19 GLU HA H 19 3.830 3.830 4.229 -0.399 19727 678 1 2 . 1 1 19 19 GLU CA C 19 60.040 60.040 58.290 1.750 19727 679 1 2 . 1 1 19 19 GLU CB C 19 29.790 29.790 29.273 0.517 19727 680 1 2 . 1 1 19 19 GLU H H 19 8.430 8.430 8.040 0.390 19727 681 1 2 . 1 1 20 20 LYS N N 20 122.631 122.631 118.795 3.836 19727 682 1 2 . 1 1 20 20 LYS HA H 20 4.070 4.070 4.136 -0.066 19727 683 1 2 . 1 1 20 20 LYS CA C 20 57.400 57.400 58.413 -1.013 19727 684 1 2 . 1 1 20 20 LYS CB C 20 31.940 31.940 32.532 -0.592 19727 685 1 2 . 1 1 20 20 LYS H H 20 8.080 8.080 8.079 0.001 19727 686 1 2 . 1 1 21 21 MET N N 21 114.794 114.794 116.230 -1.436 19727 687 1 2 . 1 1 21 21 MET HA H 21 3.810 3.810 4.170 -0.360 19727 688 1 2 . 1 1 21 21 MET CA C 21 56.310 56.310 56.179 0.131 19727 689 1 2 . 1 1 21 21 MET CB C 21 32.729 32.729 33.068 -0.339 19727 690 1 2 . 1 1 21 21 MET H H 21 7.554 7.554 7.550 0.004 19727 691 1 2 . 1 1 22 22 GLY N N 22 107.423 107.423 107.382 0.041 19727 692 1 2 . 1 1 22 22 GLY CA C 22 45.310 45.310 45.211 0.099 19727 693 1 2 . 1 1 22 22 GLY H H 22 7.718 7.718 7.898 -0.180 19727 694 1 2 . 1 1 23 23 VAL N N 23 121.380 121.380 116.350 5.030 19727 695 1 2 . 1 1 23 23 VAL HA H 23 3.770 3.770 4.377 -0.607 19727 696 1 2 . 1 1 23 23 VAL CA C 23 62.650 62.650 59.934 2.716 19727 697 1 2 . 1 1 23 23 VAL CB C 23 32.060 32.060 33.920 -1.860 19727 698 1 2 . 1 1 23 23 VAL H H 23 7.491 7.491 7.613 -0.122 19727 699 1 2 . 1 1 24 24 ASN N N 24 127.861 127.861 117.545 10.316 19727 700 1 2 . 1 1 24 24 ASN HA H 24 4.430 4.430 4.809 -0.379 19727 701 1 2 . 1 1 24 24 ASN CA C 24 54.090 54.090 51.481 2.609 19727 702 1 2 . 1 1 24 24 ASN CB C 24 39.330 39.330 38.818 0.512 19727 703 1 2 . 1 1 24 24 ASN H H 24 8.780 8.780 8.136 0.644 19727 704 1 2 . 1 1 25 25 ILE N N 25 121.002 121.002 124.148 -3.146 19727 705 1 2 . 1 1 25 25 ILE HA H 25 3.660 3.660 3.695 -0.035 19727 706 1 2 . 1 1 25 25 ILE CA C 25 65.350 65.350 63.505 1.845 19727 707 1 2 . 1 1 25 25 ILE CB C 25 38.910 38.910 37.879 1.031 19727 708 1 2 . 1 1 25 25 ILE H H 25 8.494 8.494 8.915 -0.421 19727 709 1 2 . 1 1 26 26 VAL N N 26 121.014 121.014 118.930 2.084 19727 710 1 2 . 1 1 26 26 VAL HA H 26 3.680 3.680 3.636 0.044 19727 711 1 2 . 1 1 26 26 VAL CA C 26 66.080 66.080 66.150 -0.070 19727 712 1 2 . 1 1 26 26 VAL CB C 26 31.930 31.930 31.016 0.914 19727 713 1 2 . 1 1 26 26 VAL H H 26 7.569 7.569 8.177 -0.608 19727 714 1 2 . 1 1 27 27 LYS N N 27 118.674 118.674 116.604 2.070 19727 715 1 2 . 1 1 27 27 LYS HA H 27 4.140 4.140 4.162 -0.022 19727 716 1 2 . 1 1 27 27 LYS CA C 27 58.240 58.240 57.762 0.478 19727 717 1 2 . 1 1 27 27 LYS CB C 27 32.610 32.610 32.179 0.431 19727 718 1 2 . 1 1 27 27 LYS H H 27 7.729 7.729 7.466 0.263 19727 719 1 2 . 1 1 28 28 ARG N N 28 119.667 119.667 120.567 -0.900 19727 720 1 2 . 1 1 28 28 ARG HA H 28 3.740 3.740 3.954 -0.214 19727 721 1 2 . 1 1 28 28 ARG CA C 28 60.040 60.040 58.362 1.678 19727 722 1 2 . 1 1 28 28 ARG CB C 28 30.760 30.760 29.751 1.009 19727 723 1 2 . 1 1 28 28 ARG H H 28 8.418 8.418 8.199 0.219 19727 724 1 2 . 1 1 29 29 LYS N N 29 118.502 118.502 119.068 -0.566 19727 725 1 2 . 1 1 29 29 LYS HA H 29 4.040 4.040 3.909 0.131 19727 726 1 2 . 1 1 29 29 LYS CA C 29 59.460 59.460 59.599 -0.139 19727 727 1 2 . 1 1 29 29 LYS CB C 29 32.440 32.440 32.186 0.254 19727 728 1 2 . 1 1 29 29 LYS H H 29 7.611 7.611 7.983 -0.372 19727 729 1 2 . 1 1 30 30 LEU N N 30 119.200 119.200 115.728 3.472 19727 730 1 2 . 1 1 30 30 LEU HA H 30 4.170 4.170 4.405 -0.235 19727 731 1 2 . 1 1 30 30 LEU CA C 30 57.560 57.560 55.042 2.518 19727 732 1 2 . 1 1 30 30 LEU CB C 30 42.320 42.320 42.605 -0.285 19727 733 1 2 . 1 1 30 30 LEU H H 30 7.292 7.292 7.372 -0.080 19727 734 1 2 . 1 1 31 31 ALA N N 31 120.380 120.380 120.934 -0.554 19727 735 1 2 . 1 1 31 31 ALA HA H 31 4.080 4.080 4.241 -0.161 19727 736 1 2 . 1 1 31 31 ALA CA C 31 54.370 54.370 52.635 1.735 19727 737 1 2 . 1 1 31 31 ALA CB C 31 19.300 19.300 18.591 0.709 19727 738 1 2 . 1 1 31 31 ALA H H 31 8.257 8.257 7.297 0.960 19727 739 1 2 . 1 1 32 32 ALA N N 32 117.152 117.152 121.068 -3.916 19727 740 1 2 . 1 1 32 32 ALA HA H 32 4.130 4.130 3.308 0.822 19727 741 1 2 . 1 1 32 32 ALA CA C 32 54.060 54.060 53.960 0.100 19727 742 1 2 . 1 1 32 32 ALA CB C 32 18.710 18.710 18.831 -0.121 19727 743 1 2 . 1 1 32 32 ALA H H 32 7.320 7.320 7.927 -0.607 19727 744 1 2 . 1 1 33 33 HIS N N 33 115.869 115.869 108.016 7.853 19727 745 1 2 . 1 1 33 33 HIS HA H 33 5.000 5.000 4.441 0.559 19727 746 1 2 . 1 1 33 33 HIS CA C 33 54.200 54.200 56.168 -1.968 19727 747 1 2 . 1 1 33 33 HIS CB C 33 28.310 28.310 28.709 -0.399 19727 748 1 2 . 1 1 33 33 HIS H H 33 7.675 7.675 7.764 -0.089 19727 749 1 2 . 1 1 34 34 ASP N N 34 117.892 117.892 122.936 -5.044 19727 750 1 2 . 1 1 34 34 ASP HA H 34 4.200 4.200 4.527 -0.327 19727 751 1 2 . 1 1 34 34 ASP CA C 34 54.450 54.450 57.412 -2.962 19727 752 1 2 . 1 1 34 34 ASP CB C 34 40.740 40.740 40.882 -0.142 19727 753 1 2 . 1 1 34 34 ASP H H 34 7.430 7.430 8.519 -1.089 19727 754 1 2 . 1 1 35 35 ASN N N 35 118.996 118.996 116.493 2.503 19727 755 1 2 . 1 1 35 35 ASN HA H 35 4.310 4.310 4.899 -0.589 19727 756 1 2 . 1 1 35 35 ASN CA C 35 53.650 53.650 52.187 1.463 19727 757 1 2 . 1 1 35 35 ASN CB C 35 37.760 37.760 38.183 -0.423 19727 758 1 2 . 1 1 35 35 ASN H H 35 9.086 9.086 8.408 0.678 19727 759 1 2 . 1 1 36 36 LEU N N 36 118.708 118.708 123.016 -4.308 19727 760 1 2 . 1 1 36 36 LEU CA C 36 57.330 57.330 54.216 3.114 19727 761 1 2 . 1 1 36 36 LEU CB C 36 42.810 42.810 43.416 -0.605 19727 762 1 2 . 1 1 36 36 LEU H H 36 6.914 6.914 7.240 -0.326 19727 763 1 2 . 1 1 37 37 LYS N N 37 126.148 126.148 128.587 -2.439 19727 764 1 2 . 1 1 37 37 LYS HA H 37 5.650 5.650 4.904 0.746 19727 765 1 2 . 1 1 37 37 LYS CA C 37 55.170 55.170 54.491 0.679 19727 766 1 2 . 1 1 37 37 LYS CB C 37 36.200 36.200 33.718 2.482 19727 767 1 2 . 1 1 37 37 LYS H H 37 9.246 9.246 8.187 1.059 19727 768 1 2 . 1 1 38 38 LEU N N 38 122.300 122.300 128.806 -6.506 19727 769 1 2 . 1 1 38 38 LEU HA H 38 5.550 5.550 4.817 0.733 19727 770 1 2 . 1 1 38 38 LEU CA C 38 52.870 52.870 54.014 -1.144 19727 771 1 2 . 1 1 38 38 LEU CB C 38 46.720 46.720 45.539 1.181 19727 772 1 2 . 1 1 38 38 LEU H H 38 9.324 9.324 9.326 -0.002 19727 773 1 2 . 1 1 39 39 THR N N 39 120.586 120.586 121.138 -0.552 19727 774 1 2 . 1 1 39 39 THR HA H 39 5.280 5.280 5.107 0.173 19727 775 1 2 . 1 1 39 39 THR CA C 39 62.950 62.950 61.169 1.781 19727 776 1 2 . 1 1 39 39 THR CB C 39 70.590 70.590 71.880 -1.290 19727 777 1 2 . 1 1 39 39 THR H H 39 9.191 9.191 7.766 1.425 19727 778 1 2 . 1 1 40 40 ILE N N 40 128.371 128.371 123.203 5.168 19727 779 1 2 . 1 1 40 40 ILE HA H 40 4.860 4.860 4.706 0.154 19727 780 1 2 . 1 1 40 40 ILE CA C 40 61.570 61.570 60.234 1.335 19727 781 1 2 . 1 1 40 40 ILE CB C 40 40.060 40.060 41.047 -0.987 19727 782 1 2 . 1 1 40 40 ILE H H 40 8.531 8.531 8.971 -0.440 19727 783 1 2 . 1 1 41 41 THR N N 41 120.285 120.285 121.551 -1.266 19727 784 1 2 . 1 1 41 41 THR HA H 41 4.510 4.510 4.606 -0.096 19727 785 1 2 . 1 1 41 41 THR CA C 41 60.930 60.930 59.657 1.273 19727 786 1 2 . 1 1 41 41 THR CB C 41 71.450 71.450 70.650 0.800 19727 787 1 2 . 1 1 41 41 THR H H 41 8.624 8.624 8.684 -0.060 19727 788 1 2 . 1 1 42 42 GLN N N 42 126.369 126.369 120.288 6.081 19727 789 1 2 . 1 1 42 42 GLN CA C 42 54.400 54.400 55.333 -0.933 19727 790 1 2 . 1 1 42 42 GLN CB C 42 30.560 30.560 31.659 -1.099 19727 791 1 2 . 1 1 42 42 GLN H H 42 9.050 9.050 8.383 0.667 19727 792 1 2 . 1 1 43 43 GLU N N 43 128.036 128.036 125.632 2.404 19727 793 1 2 . 1 1 43 43 GLU HA H 43 4.400 4.400 4.651 -0.251 19727 794 1 2 . 1 1 43 43 GLU CA C 43 55.020 55.020 56.141 -1.121 19727 795 1 2 . 1 1 43 43 GLU CB C 43 31.630 31.630 31.166 0.464 19727 796 1 2 . 1 1 43 43 GLU H H 43 8.807 8.807 8.653 0.154 19727 797 1 2 . 1 1 44 44 GLY N N 44 117.000 117.000 114.783 2.217 19727 798 1 2 . 1 1 44 44 GLY CA C 44 47.460 47.460 46.288 1.172 19727 799 1 2 . 1 1 44 44 GLY H H 44 9.060 9.060 8.658 0.402 19727 800 1 2 . 1 1 45 45 ASN N N 45 124.910 124.910 119.875 5.035 19727 801 1 2 . 1 1 45 45 ASN HA H 45 4.830 4.830 4.507 0.323 19727 802 1 2 . 1 1 45 45 ASN CA C 45 53.040 53.040 52.818 0.222 19727 803 1 2 . 1 1 45 45 ASN CB C 45 39.050 39.050 38.297 0.753 19727 804 1 2 . 1 1 45 45 ASN H H 45 8.769 8.769 8.549 0.220 19727 805 1 2 . 1 1 46 46 LYS N N 46 120.293 120.293 121.171 -0.878 19727 806 1 2 . 1 1 46 46 LYS HA H 46 4.890 4.890 4.633 0.257 19727 807 1 2 . 1 1 46 46 LYS CA C 46 55.760 55.760 54.632 1.128 19727 808 1 2 . 1 1 46 46 LYS CB C 46 34.610 34.610 34.327 0.283 19727 809 1 2 . 1 1 46 46 LYS H H 46 7.873 7.873 7.639 0.234 19727 810 1 2 . 1 1 47 47 PHE N N 47 127.531 127.531 122.306 5.225 19727 811 1 2 . 1 1 47 47 PHE HA H 47 4.700 4.700 4.869 -0.169 19727 812 1 2 . 1 1 47 47 PHE CA C 47 56.450 56.450 54.202 2.248 19727 813 1 2 . 1 1 47 47 PHE CB C 47 43.050 43.050 41.868 1.182 19727 814 1 2 . 1 1 47 47 PHE H H 47 9.130 9.130 9.278 -0.148 19727 815 1 2 . 1 1 48 48 THR N N 48 115.162 115.162 119.029 -3.867 19727 816 1 2 . 1 1 48 48 THR HA H 48 4.770 4.770 4.688 0.082 19727 817 1 2 . 1 1 48 48 THR CA C 48 62.090 62.090 61.664 0.425 19727 818 1 2 . 1 1 48 48 THR CB C 48 70.280 70.280 69.567 0.713 19727 819 1 2 . 1 1 48 48 THR H H 48 8.318 8.318 8.164 0.154 19727 820 1 2 . 1 1 49 49 VAL N N 49 127.272 127.272 123.797 3.475 19727 821 1 2 . 1 1 49 49 VAL HA H 49 4.840 4.840 4.720 0.120 19727 822 1 2 . 1 1 49 49 VAL CA C 49 61.110 61.110 60.201 0.909 19727 823 1 2 . 1 1 49 49 VAL CB C 49 34.330 34.330 31.647 2.683 19727 824 1 2 . 1 1 49 49 VAL H H 49 9.580 9.580 9.020 0.560 19727 825 1 2 . 1 1 50 50 LYS N N 50 127.439 127.439 128.022 -0.583 19727 826 1 2 . 1 1 50 50 LYS HA H 50 4.993 4.993 4.415 0.578 19727 827 1 2 . 1 1 50 50 LYS CA C 50 55.500 55.500 55.428 0.072 19727 828 1 2 . 1 1 50 50 LYS CB C 50 33.320 33.320 33.123 0.197 19727 829 1 2 . 1 1 50 50 LYS H H 50 9.175 9.175 8.541 0.634 19727 830 1 2 . 1 1 51 51 GLU N N 51 128.140 128.140 126.758 1.382 19727 831 1 2 . 1 1 51 51 GLU HA H 51 5.090 5.090 4.977 0.113 19727 832 1 2 . 1 1 51 51 GLU CA C 51 55.160 55.160 55.567 -0.407 19727 833 1 2 . 1 1 51 51 GLU CB C 51 31.450 31.450 31.646 -0.196 19727 834 1 2 . 1 1 51 51 GLU H H 51 9.173 9.173 8.165 1.008 19727 835 1 2 . 1 1 52 52 SER N N 52 120.997 120.997 120.176 0.821 19727 836 1 2 . 1 1 52 52 SER CA C 52 56.630 56.630 58.052 -1.422 19727 837 1 2 . 1 1 52 52 SER CB C 52 65.290 65.290 64.601 0.689 19727 838 1 2 . 1 1 52 52 SER H H 52 9.015 9.015 8.281 0.734 19727 839 1 2 . 1 1 53 53 SER N N 53 117.567 117.567 121.606 -4.039 19727 840 1 2 . 1 1 53 53 SER CA C 53 56.780 56.780 57.056 -0.276 19727 841 1 2 . 1 1 53 53 SER CB C 53 68.320 68.320 66.639 1.681 19727 842 1 2 . 1 1 53 53 SER H H 53 9.013 9.013 7.947 1.066 19727 843 1 2 . 1 1 54 54 ALA N N 54 119.830 119.830 126.437 -6.607 19727 844 1 2 . 1 1 54 54 ALA HA H 54 4.030 4.030 3.933 0.097 19727 845 1 2 . 1 1 54 54 ALA CA C 54 54.030 54.030 54.641 -0.611 19727 846 1 2 . 1 1 54 54 ALA CB C 54 18.380 18.380 18.262 0.118 19727 847 1 2 . 1 1 54 54 ALA H H 54 9.009 9.009 8.780 0.229 19727 848 1 2 . 1 1 55 55 PHE N N 55 112.640 112.640 116.145 -3.505 19727 849 1 2 . 1 1 55 55 PHE H H 55 8.050 8.050 7.164 0.886 19727 850 1 2 . 1 1 57 57 ASN N N 57 119.170 119.170 117.625 1.545 19727 851 1 2 . 1 1 57 57 ASN HA H 57 5.840 5.840 4.951 0.889 19727 852 1 2 . 1 1 57 57 ASN CA C 57 53.190 53.190 52.598 0.592 19727 853 1 2 . 1 1 57 57 ASN CB C 57 40.990 40.990 40.764 0.226 19727 854 1 2 . 1 1 57 57 ASN H H 57 8.487 8.487 8.365 0.122 19727 855 1 2 . 1 1 58 58 ILE N N 58 117.653 117.653 123.363 -5.710 19727 856 1 2 . 1 1 58 58 ILE HA H 58 4.860 4.860 4.424 0.436 19727 857 1 2 . 1 1 58 58 ILE CA C 58 60.150 60.150 60.212 -0.062 19727 858 1 2 . 1 1 58 58 ILE CB C 58 43.590 43.590 41.509 2.081 19727 859 1 2 . 1 1 58 58 ILE H H 58 8.803 8.803 8.625 0.178 19727 860 1 2 . 1 1 59 59 GLU N N 59 123.376 123.376 124.700 -1.324 19727 861 1 2 . 1 1 59 59 GLU HA H 59 5.260 5.260 4.946 0.314 19727 862 1 2 . 1 1 59 59 GLU CA C 59 60.170 60.170 55.423 4.747 19727 863 1 2 . 1 1 59 59 GLU CB C 59 32.900 32.900 33.514 -0.613 19727 864 1 2 . 1 1 59 59 GLU H H 59 8.519 8.519 8.284 0.235 19727 865 1 2 . 1 1 60 60 VAL N N 60 127.157 127.157 118.862 8.295 19727 866 1 2 . 1 1 60 60 VAL HA H 60 4.460 4.460 4.206 0.254 19727 867 1 2 . 1 1 60 60 VAL CA C 60 61.730 61.730 60.897 0.833 19727 868 1 2 . 1 1 60 60 VAL CB C 60 35.030 35.030 36.408 -1.378 19727 869 1 2 . 1 1 60 60 VAL H H 60 9.227 9.227 8.685 0.542 19727 870 1 2 . 1 1 61 61 VAL N N 61 125.109 125.109 121.689 3.420 19727 871 1 2 . 1 1 61 61 VAL HA H 61 5.160 5.160 5.043 0.117 19727 872 1 2 . 1 1 61 61 VAL CA C 61 60.350 60.350 60.650 -0.300 19727 873 1 2 . 1 1 61 61 VAL CB C 61 34.600 34.600 35.608 -1.008 19727 874 1 2 . 1 1 61 61 VAL H H 61 8.179 8.179 8.143 0.036 19727 875 1 2 . 1 1 62 62 PHE N N 62 121.713 121.713 118.907 2.806 19727 876 1 2 . 1 1 62 62 PHE HA H 62 4.840 4.840 5.048 -0.208 19727 877 1 2 . 1 1 62 62 PHE CA C 62 55.320 55.320 54.214 1.106 19727 878 1 2 . 1 1 62 62 PHE CB C 62 41.060 41.060 39.970 1.090 19727 879 1 2 . 1 1 62 62 PHE H H 62 8.432 8.432 9.352 -0.920 19727 880 1 2 . 1 1 63 63 GLU N N 63 119.775 119.775 123.405 -3.630 19727 881 1 2 . 1 1 63 63 GLU HA H 63 5.330 5.330 4.726 0.604 19727 882 1 2 . 1 1 63 63 GLU CA C 63 53.700 53.700 53.574 0.126 19727 883 1 2 . 1 1 63 63 GLU CB C 63 32.720 32.720 33.307 -0.587 19727 884 1 2 . 1 1 63 63 GLU H H 63 9.386 9.386 8.862 0.524 19727 885 1 2 . 1 1 64 64 LEU N N 64 124.568 124.568 125.415 -0.847 19727 886 1 2 . 1 1 64 64 LEU HA H 64 4.530 4.530 4.026 0.504 19727 887 1 2 . 1 1 64 64 LEU CA C 64 56.770 56.770 56.164 0.606 19727 888 1 2 . 1 1 64 64 LEU CB C 64 41.390 41.390 40.215 1.175 19727 889 1 2 . 1 1 64 64 LEU H H 64 8.834 8.834 8.097 0.737 19727 890 1 2 . 1 1 65 65 GLY N N 65 108.336 108.336 112.206 -3.870 19727 891 1 2 . 1 1 65 65 GLY CA C 65 46.210 46.210 44.837 1.373 19727 892 1 2 . 1 1 65 65 GLY H H 65 9.299 9.299 8.914 0.385 19727 893 1 2 . 1 1 66 66 VAL N N 66 121.972 121.972 120.304 1.668 19727 894 1 2 . 1 1 66 66 VAL HA H 66 4.380 4.380 4.326 0.054 19727 895 1 2 . 1 1 66 66 VAL CA C 66 62.660 62.660 60.467 2.193 19727 896 1 2 . 1 1 66 66 VAL CB C 66 32.900 32.900 34.501 -1.601 19727 897 1 2 . 1 1 66 66 VAL H H 66 7.905 7.905 8.001 -0.096 19727 898 1 2 . 1 1 67 67 THR N N 67 129.168 129.168 122.440 6.728 19727 899 1 2 . 1 1 67 67 THR HA H 67 4.390 4.390 4.262 0.128 19727 900 1 2 . 1 1 67 67 THR CA C 67 64.580 64.580 64.416 0.164 19727 901 1 2 . 1 1 67 67 THR CB C 67 69.140 69.140 69.336 -0.196 19727 902 1 2 . 1 1 67 67 THR H H 67 8.784 8.784 8.433 0.351 19727 903 1 2 . 1 1 68 68 PHE N N 68 126.387 126.387 125.227 1.160 19727 904 1 2 . 1 1 68 68 PHE HA H 68 5.120 5.120 4.530 0.590 19727 905 1 2 . 1 1 68 68 PHE CA C 68 56.240 56.240 56.046 0.194 19727 906 1 2 . 1 1 68 68 PHE CB C 68 41.980 41.980 40.711 1.270 19727 907 1 2 . 1 1 68 68 PHE H H 68 9.687 9.687 8.581 1.106 19727 908 1 2 . 1 1 69 69 ASN N N 69 116.298 116.298 122.005 -5.707 19727 909 1 2 . 1 1 69 69 ASN HA H 69 5.340 5.340 4.897 0.443 19727 910 1 2 . 1 1 69 69 ASN CA C 69 51.630 51.630 52.541 -0.911 19727 911 1 2 . 1 1 69 69 ASN CB C 69 40.640 40.640 40.470 0.170 19727 912 1 2 . 1 1 69 69 ASN H H 69 8.370 8.370 8.759 -0.389 19727 913 1 2 . 1 1 70 70 TYR N N 70 120.913 120.913 120.649 0.264 19727 914 1 2 . 1 1 70 70 TYR H H 70 8.655 8.655 8.117 0.538 19727 915 1 2 . 1 1 73 73 ALA HA H 73 3.760 3.760 4.075 -0.315 19727 916 1 2 . 1 1 73 73 ALA CA C 73 53.600 53.600 54.729 -1.129 19727 917 1 2 . 1 1 73 73 ALA CB C 73 17.960 17.960 18.771 -0.811 19727 918 1 2 . 1 1 74 74 ASP N N 74 113.641 113.641 117.316 -3.675 19727 919 1 2 . 1 1 74 74 ASP CA C 74 52.960 52.960 54.210 -1.250 19727 920 1 2 . 1 1 74 74 ASP CB C 74 39.210 39.210 40.074 -0.864 19727 921 1 2 . 1 1 74 74 ASP H H 74 8.575 8.575 8.152 0.423 19727 922 1 2 . 1 1 75 75 GLY N N 75 107.874 107.874 106.878 0.996 19727 923 1 2 . 1 1 75 75 GLY CA C 75 44.800 44.800 45.086 -0.286 19727 924 1 2 . 1 1 75 75 GLY H H 75 7.745 7.745 8.018 -0.273 19727 925 1 2 . 1 1 76 76 THR N N 76 119.192 119.192 113.826 5.366 19727 926 1 2 . 1 1 76 76 THR CA C 76 64.980 64.980 64.748 0.232 19727 927 1 2 . 1 1 76 76 THR CB C 76 68.240 68.240 69.135 -0.895 19727 928 1 2 . 1 1 76 76 THR H H 76 7.724 7.724 7.708 0.016 19727 929 1 2 . 1 1 77 77 GLU N N 77 128.678 128.678 122.490 6.188 19727 930 1 2 . 1 1 77 77 GLU CA C 77 56.450 56.450 55.723 0.727 19727 931 1 2 . 1 1 77 77 GLU CB C 77 31.500 31.500 31.422 0.078 19727 932 1 2 . 1 1 77 77 GLU H H 77 8.468 8.468 8.600 -0.132 19727 933 1 2 . 1 1 78 78 LEU N N 78 124.431 124.431 126.520 -2.089 19727 934 1 2 . 1 1 78 78 LEU HA H 78 5.130 5.130 4.980 0.150 19727 935 1 2 . 1 1 78 78 LEU CA C 78 53.230 53.230 54.036 -0.806 19727 936 1 2 . 1 1 78 78 LEU CB C 78 45.400 45.400 44.556 0.844 19727 937 1 2 . 1 1 78 78 LEU H H 78 8.875 8.875 8.767 0.108 19727 938 1 2 . 1 1 79 79 ARG HA H 79 5.390 5.390 5.258 0.132 19727 939 1 2 . 1 1 79 79 ARG CA C 79 54.560 54.560 54.509 0.051 19727 940 1 2 . 1 1 79 79 ARG CB C 79 33.860 33.860 33.610 0.250 19727 941 1 2 . 1 1 80 80 GLY N N 80 115.450 115.450 111.869 3.581 19727 942 1 2 . 1 1 80 80 GLY CA C 80 46.730 46.730 45.013 1.718 19727 943 1 2 . 1 1 80 80 GLY H H 80 9.026 9.026 8.130 0.896 19727 944 1 2 . 1 1 81 81 THR N N 81 106.379 106.379 111.024 -4.645 19727 945 1 2 . 1 1 81 81 THR HA H 81 4.680 4.680 4.645 0.035 19727 946 1 2 . 1 1 81 81 THR CA C 81 59.010 59.010 60.781 -1.771 19727 947 1 2 . 1 1 81 81 THR CB C 81 73.140 73.140 71.420 1.720 19727 948 1 2 . 1 1 81 81 THR H H 81 6.937 6.937 7.851 -0.914 19727 949 1 2 . 1 1 82 82 TRP N N 82 120.025 120.025 124.386 -4.361 19727 950 1 2 . 1 1 82 82 TRP HA H 82 5.350 5.350 4.759 0.591 19727 951 1 2 . 1 1 82 82 TRP CA C 82 56.400 56.400 56.563 -0.163 19727 952 1 2 . 1 1 82 82 TRP CB C 82 33.630 33.630 32.521 1.109 19727 953 1 2 . 1 1 82 82 TRP H H 82 9.126 9.126 8.269 0.857 19727 954 1 2 . 1 1 83 83 SER N N 83 115.180 115.180 119.228 -4.048 19727 955 1 2 . 1 1 83 83 SER HA H 83 5.490 5.490 4.559 0.931 19727 956 1 2 . 1 1 83 83 SER CA C 83 57.080 57.080 56.991 0.089 19727 957 1 2 . 1 1 83 83 SER CB C 83 65.680 65.680 65.707 -0.027 19727 958 1 2 . 1 1 83 83 SER H H 83 9.045 9.045 7.905 1.140 19727 959 1 2 . 1 1 84 84 LEU N N 84 125.420 125.420 123.960 1.460 19727 960 1 2 . 1 1 84 84 LEU HA H 84 5.200 5.200 4.754 0.446 19727 961 1 2 . 1 1 84 84 LEU CA C 84 54.600 54.600 54.297 0.303 19727 962 1 2 . 1 1 84 84 LEU CB C 84 45.130 45.130 45.223 -0.093 19727 963 1 2 . 1 1 84 84 LEU H H 84 8.889 8.889 8.361 0.528 19727 964 1 2 . 1 1 85 85 GLU N N 85 127.397 127.397 124.986 2.411 19727 965 1 2 . 1 1 85 85 GLU HA H 85 4.610 4.610 4.559 0.051 19727 966 1 2 . 1 1 85 85 GLU CA C 85 55.310 55.310 55.214 0.096 19727 967 1 2 . 1 1 85 85 GLU CB C 85 31.470 31.470 30.390 1.079 19727 968 1 2 . 1 1 85 85 GLU H H 85 8.964 8.964 8.932 0.032 19727 969 1 2 . 1 1 86 86 GLY N N 86 117.395 117.395 116.489 0.906 19727 970 1 2 . 1 1 86 86 GLY CA C 86 47.580 47.580 46.906 0.674 19727 971 1 2 . 1 1 86 86 GLY H H 86 9.039 9.039 8.810 0.229 19727 972 1 2 . 1 1 87 87 ASN N N 87 122.457 122.457 123.576 -1.119 19727 973 1 2 . 1 1 87 87 ASN HA H 87 4.820 4.820 5.010 -0.190 19727 974 1 2 . 1 1 87 87 ASN CA C 87 53.170 53.170 52.772 0.398 19727 975 1 2 . 1 1 87 87 ASN CB C 87 38.800 38.800 39.559 -0.760 19727 976 1 2 . 1 1 87 87 ASN H H 87 8.765 8.765 8.694 0.071 19727 977 1 2 . 1 1 88 88 LYS N N 88 117.971 117.971 117.833 0.138 19727 978 1 2 . 1 1 88 88 LYS HA H 88 4.960 4.960 5.069 -0.109 19727 979 1 2 . 1 1 88 88 LYS CA C 88 56.000 56.000 54.579 1.421 19727 980 1 2 . 1 1 88 88 LYS CB C 88 35.580 35.580 35.766 -0.186 19727 981 1 2 . 1 1 88 88 LYS H H 88 7.986 7.986 7.511 0.475 19727 982 1 2 . 1 1 89 89 LEU N N 89 122.876 122.876 119.033 3.843 19727 983 1 2 . 1 1 89 89 LEU HA H 89 5.010 5.010 4.801 0.209 19727 984 1 2 . 1 1 89 89 LEU CA C 89 53.450 53.450 53.502 -0.052 19727 985 1 2 . 1 1 89 89 LEU CB C 89 43.856 43.856 44.097 -0.241 19727 986 1 2 . 1 1 89 89 LEU H H 89 8.622 8.622 8.313 0.309 19727 987 1 2 . 1 1 90 90 ILE N N 90 124.780 124.780 120.307 4.473 19727 988 1 2 . 1 1 90 90 ILE HA H 90 4.600 4.600 4.824 -0.224 19727 989 1 2 . 1 1 90 90 ILE CA C 90 60.250 60.250 59.752 0.499 19727 990 1 2 . 1 1 90 90 ILE CB C 90 38.760 38.760 38.455 0.305 19727 991 1 2 . 1 1 90 90 ILE H H 90 9.589 9.589 8.588 1.001 19727 992 1 2 . 1 1 91 91 GLY N N 91 121.700 121.700 114.169 7.531 19727 993 1 2 . 1 1 91 91 GLY CA C 91 44.680 44.680 43.788 0.892 19727 994 1 2 . 1 1 91 91 GLY H H 91 9.620 9.620 8.116 1.504 19727 995 1 2 . 1 1 92 92 LYS N N 92 127.600 127.600 118.532 9.068 19727 996 1 2 . 1 1 92 92 LYS HA H 92 4.710 4.710 5.165 -0.455 19727 997 1 2 . 1 1 92 92 LYS CA C 92 55.450 55.450 55.547 -0.097 19727 998 1 2 . 1 1 92 92 LYS CB C 92 33.530 33.530 37.277 -3.747 19727 999 1 2 . 1 1 92 92 LYS H H 92 7.730 7.730 7.983 -0.253 19727 1000 1 2 . 1 1 93 93 PHE N N 93 122.003 122.003 119.596 2.407 19727 1001 1 2 . 1 1 93 93 PHE HA H 93 5.200 5.200 4.932 0.268 19727 1002 1 2 . 1 1 93 93 PHE CA C 93 55.960 55.960 56.594 -0.634 19727 1003 1 2 . 1 1 93 93 PHE CB C 93 44.350 44.350 44.433 -0.083 19727 1004 1 2 . 1 1 93 93 PHE H H 93 8.443 8.443 9.022 -0.579 19727 1005 1 2 . 1 1 94 94 LYS N N 94 119.319 119.319 119.524 -0.205 19727 1006 1 2 . 1 1 94 94 LYS HA H 94 5.050 5.050 5.431 -0.381 19727 1007 1 2 . 1 1 94 94 LYS CA C 94 55.150 55.150 55.284 -0.134 19727 1008 1 2 . 1 1 94 94 LYS CB C 94 36.180 36.180 35.676 0.504 19727 1009 1 2 . 1 1 94 94 LYS H H 94 8.803 8.803 8.673 0.130 19727 1010 1 2 . 1 1 95 95 ARG N N 95 122.142 122.142 127.529 -5.387 19727 1011 1 2 . 1 1 95 95 ARG HA H 95 4.760 4.760 5.114 -0.354 19727 1012 1 2 . 1 1 95 95 ARG CA C 95 56.030 56.030 56.589 -0.559 19727 1013 1 2 . 1 1 95 95 ARG CB C 95 31.720 31.720 31.169 0.551 19727 1014 1 2 . 1 1 95 95 ARG H H 95 8.738 8.738 8.526 0.212 19727 1015 1 2 . 1 1 96 96 THR N N 96 117.210 117.210 119.419 -2.209 19727 1016 1 2 . 1 1 96 96 THR HA H 96 4.060 4.060 4.122 -0.062 19727 1017 1 2 . 1 1 96 96 THR CA C 96 64.140 64.140 65.762 -1.622 19727 1018 1 2 . 1 1 96 96 THR CB C 96 68.570 68.570 68.597 -0.026 19727 1019 1 2 . 1 1 96 96 THR H H 96 8.520 8.520 8.434 0.086 19727 1020 1 2 . 1 1 97 97 ASP N N 97 120.647 120.647 119.937 0.710 19727 1021 1 2 . 1 1 97 97 ASP HA H 97 4.330 4.330 4.439 -0.109 19727 1022 1 2 . 1 1 97 97 ASP CA C 97 56.200 56.200 56.265 -0.065 19727 1023 1 2 . 1 1 97 97 ASP CB C 97 38.860 38.860 41.159 -2.299 19727 1024 1 2 . 1 1 97 97 ASP H H 97 8.932 8.932 8.450 0.482 19727 1025 1 2 . 1 1 98 98 ASN N N 98 116.362 116.362 115.396 0.966 19727 1026 1 2 . 1 1 98 98 ASN HA H 98 4.750 4.750 4.728 0.022 19727 1027 1 2 . 1 1 98 98 ASN CA C 98 51.640 51.640 53.275 -1.635 19727 1028 1 2 . 1 1 98 98 ASN CB C 98 39.340 39.340 39.552 -0.212 19727 1029 1 2 . 1 1 98 98 ASN H H 98 8.614 8.614 7.635 0.979 19727 1030 1 2 . 1 1 99 99 GLY N N 99 107.794 107.794 109.613 -1.819 19727 1031 1 2 . 1 1 99 99 GLY CA C 99 46.300 46.300 46.278 0.022 19727 1032 1 2 . 1 1 99 99 GLY H H 99 7.811 7.811 8.527 -0.716 19727 1033 1 2 . 1 1 100 100 ASN N N 100 118.972 118.972 118.949 0.023 19727 1034 1 2 . 1 1 100 100 ASN HA H 100 4.690 4.690 4.765 -0.075 19727 1035 1 2 . 1 1 100 100 ASN CA C 100 53.210 53.210 52.596 0.614 19727 1036 1 2 . 1 1 100 100 ASN CB C 100 38.970 38.970 39.709 -0.739 19727 1037 1 2 . 1 1 100 100 ASN H H 100 8.416 8.416 7.855 0.561 19727 1038 1 2 . 1 1 101 101 GLU N N 101 119.642 119.642 122.444 -2.802 19727 1039 1 2 . 1 1 101 101 GLU HA H 101 4.790 4.790 4.284 0.506 19727 1040 1 2 . 1 1 101 101 GLU CA C 101 57.020 57.020 57.712 -0.692 19727 1041 1 2 . 1 1 101 101 GLU CB C 101 31.970 31.970 30.452 1.518 19727 1042 1 2 . 1 1 101 101 GLU H H 101 8.730 8.730 8.424 0.306 19727 1043 1 2 . 1 1 102 102 LEU N N 102 125.033 125.033 126.853 -1.820 19727 1044 1 2 . 1 1 102 102 LEU HA H 102 5.200 5.200 5.423 -0.223 19727 1045 1 2 . 1 1 102 102 LEU CA C 102 55.260 55.260 54.132 1.128 19727 1046 1 2 . 1 1 102 102 LEU CB C 102 45.870 45.870 45.934 -0.064 19727 1047 1 2 . 1 1 102 102 LEU H H 102 8.908 8.908 8.085 0.823 19727 1048 1 2 . 1 1 103 103 ASN N N 103 123.919 123.919 126.139 -2.220 19727 1049 1 2 . 1 1 103 103 ASN HA H 103 5.670 5.670 5.426 0.244 19727 1050 1 2 . 1 1 103 103 ASN CA C 103 52.150 52.150 51.730 0.420 19727 1051 1 2 . 1 1 103 103 ASN CB C 103 41.970 41.970 41.483 0.486 19727 1052 1 2 . 1 1 103 103 ASN H H 103 8.452 8.452 9.632 -1.180 19727 1053 1 2 . 1 1 104 104 THR N N 104 117.100 117.100 113.248 3.852 19727 1054 1 2 . 1 1 104 104 THR HA H 104 5.530 5.530 4.810 0.720 19727 1055 1 2 . 1 1 104 104 THR CA C 104 58.550 58.550 61.247 -2.697 19727 1056 1 2 . 1 1 104 104 THR CB C 104 70.450 70.450 70.316 0.134 19727 1057 1 2 . 1 1 104 104 THR H H 104 9.050 9.050 8.721 0.329 19727 1058 1 2 . 1 1 105 105 VAL HA H 105 5.290 5.290 4.294 0.996 19727 1059 1 2 . 1 1 105 105 VAL CA C 105 61.070 61.070 61.040 0.030 19727 1060 1 2 . 1 1 105 105 VAL CB C 105 36.290 36.290 34.661 1.629 19727 1061 1 2 . 1 1 106 106 ARG N N 106 124.249 124.249 128.428 -4.179 19727 1062 1 2 . 1 1 106 106 ARG CA C 106 54.890 54.890 54.375 0.515 19727 1063 1 2 . 1 1 106 106 ARG CB C 106 33.890 33.890 33.205 0.685 19727 1064 1 2 . 1 1 106 106 ARG H H 106 9.466 9.466 8.898 0.568 19727 1065 1 2 . 1 1 107 107 GLU N N 107 120.784 120.784 127.021 -6.237 19727 1066 1 2 . 1 1 107 107 GLU HA H 107 4.960 4.960 4.771 0.189 19727 1067 1 2 . 1 1 107 107 GLU CA C 107 54.810 54.810 54.094 0.716 19727 1068 1 2 . 1 1 107 107 GLU CB C 107 33.800 33.800 33.370 0.430 19727 1069 1 2 . 1 1 107 107 GLU H H 107 8.605 8.605 8.294 0.311 19727 1070 1 2 . 1 1 108 108 ILE N N 108 124.182 124.182 122.256 1.926 19727 1071 1 2 . 1 1 108 108 ILE HA H 108 4.780 4.780 4.319 0.461 19727 1072 1 2 . 1 1 108 108 ILE CA C 108 59.050 59.050 60.062 -1.012 19727 1073 1 2 . 1 1 108 108 ILE CB C 108 36.670 36.670 36.421 0.249 19727 1074 1 2 . 1 1 108 108 ILE H H 108 8.732 8.732 8.746 -0.014 19727 1075 1 2 . 1 1 109 109 ILE N N 109 129.631 129.631 131.113 -1.482 19727 1076 1 2 . 1 1 109 109 ILE HA H 109 4.250 4.250 4.045 0.205 19727 1077 1 2 . 1 1 109 109 ILE CA C 109 61.100 61.100 58.678 2.422 19727 1078 1 2 . 1 1 109 109 ILE CB C 109 39.290 39.290 36.005 3.285 19727 1079 1 2 . 1 1 109 109 ILE H H 109 8.903 8.903 8.210 0.693 19727 1080 1 2 . 1 1 110 110 GLY N N 110 119.473 119.473 115.322 4.151 19727 1081 1 2 . 1 1 110 110 GLY CA C 110 47.690 47.690 45.763 1.927 19727 1082 1 2 . 1 1 110 110 GLY H H 110 9.123 9.123 7.936 1.187 19727 1083 1 2 . 1 1 111 111 ASP N N 111 123.998 123.998 126.045 -2.047 19727 1084 1 2 . 1 1 111 111 ASP HA H 111 4.750 4.750 4.594 0.156 19727 1085 1 2 . 1 1 111 111 ASP CA C 111 54.100 54.100 54.704 -0.604 19727 1086 1 2 . 1 1 111 111 ASP CB C 111 41.490 41.490 41.031 0.459 19727 1087 1 2 . 1 1 111 111 ASP H H 111 8.699 8.699 8.642 0.057 19727 1088 1 2 . 1 1 112 112 GLU N N 112 118.194 118.194 115.243 2.951 19727 1089 1 2 . 1 1 112 112 GLU HA H 112 5.150 5.150 4.692 0.458 19727 1090 1 2 . 1 1 112 112 GLU CA C 112 55.560 55.560 54.149 1.411 19727 1091 1 2 . 1 1 112 112 GLU CB C 112 33.200 33.200 33.286 -0.086 19727 1092 1 2 . 1 1 112 112 GLU H H 112 7.924 7.924 7.418 0.506 19727 1093 1 2 . 1 1 113 113 LEU N N 113 123.501 123.501 119.914 3.587 19727 1094 1 2 . 1 1 113 113 LEU HA H 113 4.400 4.400 5.144 -0.744 19727 1095 1 2 . 1 1 113 113 LEU CA C 113 54.140 54.140 53.655 0.485 19727 1096 1 2 . 1 1 113 113 LEU CB C 113 42.180 42.180 45.752 -3.572 19727 1097 1 2 . 1 1 113 113 LEU H H 113 7.851 7.851 8.345 -0.494 19727 1098 1 2 . 1 1 114 114 VAL N N 114 127.898 127.898 123.746 4.152 19727 1099 1 2 . 1 1 114 114 VAL HA H 114 4.520 4.520 4.539 -0.019 19727 1100 1 2 . 1 1 114 114 VAL CA C 114 62.290 62.290 59.972 2.318 19727 1101 1 2 . 1 1 114 114 VAL CB C 114 33.430 33.430 33.204 0.226 19727 1102 1 2 . 1 1 114 114 VAL H H 114 9.357 9.357 8.786 0.571 19727 1103 1 2 . 1 1 115 115 GLN N N 115 130.218 130.218 129.586 0.632 19727 1104 1 2 . 1 1 115 115 GLN HA H 115 5.710 5.710 5.061 0.649 19727 1105 1 2 . 1 1 115 115 GLN CA C 115 53.930 53.930 54.745 -0.815 19727 1106 1 2 . 1 1 115 115 GLN CB C 115 30.060 30.060 31.220 -1.160 19727 1107 1 2 . 1 1 115 115 GLN H H 115 9.552 9.552 9.072 0.480 19727 1108 1 2 . 1 1 116 116 THR N N 116 121.078 121.078 118.202 2.876 19727 1109 1 2 . 1 1 116 116 THR HA H 116 5.080 5.080 4.948 0.132 19727 1110 1 2 . 1 1 116 116 THR CA C 116 61.800 61.800 61.419 0.381 19727 1111 1 2 . 1 1 116 116 THR CB C 116 70.470 70.470 69.972 0.498 19727 1112 1 2 . 1 1 116 116 THR H H 116 8.832 8.832 8.873 -0.041 19727 1113 1 2 . 1 1 117 117 TYR N N 117 125.712 125.712 126.093 -0.381 19727 1114 1 2 . 1 1 117 117 TYR HA H 117 4.950 4.950 5.590 -0.640 19727 1115 1 2 . 1 1 117 117 TYR CA C 117 56.430 56.430 56.228 0.202 19727 1116 1 2 . 1 1 117 117 TYR CB C 117 42.110 42.110 41.975 0.135 19727 1117 1 2 . 1 1 117 117 TYR H H 117 9.440 9.440 9.658 -0.218 19727 1118 1 2 . 1 1 118 118 VAL N N 118 120.314 120.314 119.309 1.005 19727 1119 1 2 . 1 1 118 118 VAL HA H 118 5.350 5.350 5.330 0.020 19727 1120 1 2 . 1 1 118 118 VAL CA C 118 62.170 62.170 60.947 1.223 19727 1121 1 2 . 1 1 118 118 VAL CB C 118 34.810 34.810 36.025 -1.215 19727 1122 1 2 . 1 1 118 118 VAL H H 118 9.026 9.026 9.523 -0.497 19727 1123 1 2 . 1 1 119 119 TYR N N 119 127.564 127.564 128.210 -0.646 19727 1124 1 2 . 1 1 119 119 TYR HA H 119 4.940 4.940 5.399 -0.459 19727 1125 1 2 . 1 1 119 119 TYR CA C 119 58.170 58.170 56.822 1.348 19727 1126 1 2 . 1 1 119 119 TYR CB C 119 43.490 43.490 40.294 3.196 19727 1127 1 2 . 1 1 119 119 TYR H H 119 9.041 9.041 9.282 -0.241 19727 1128 1 2 . 1 1 120 120 GLU N N 120 125.533 125.533 128.230 -2.697 19727 1129 1 2 . 1 1 120 120 GLU HA H 120 3.430 3.430 3.702 -0.272 19727 1130 1 2 . 1 1 120 120 GLU CA C 120 56.140 56.140 57.508 -1.368 19727 1131 1 2 . 1 1 120 120 GLU CB C 120 28.400 28.400 28.176 0.224 19727 1132 1 2 . 1 1 120 120 GLU H H 120 9.509 9.509 8.655 0.854 19727 1133 1 2 . 1 1 121 121 GLY N N 121 102.076 102.076 107.728 -5.652 19727 1134 1 2 . 1 1 121 121 GLY CA C 121 45.480 45.480 45.886 -0.406 19727 1135 1 2 . 1 1 121 121 GLY H H 121 8.374 8.374 8.447 -0.073 19727 1136 1 2 . 1 1 122 122 VAL N N 122 123.797 123.797 123.427 0.370 19727 1137 1 2 . 1 1 122 122 VAL HA H 122 4.190 4.190 4.275 -0.085 19727 1138 1 2 . 1 1 122 122 VAL CA C 122 62.660 62.660 60.960 1.700 19727 1139 1 2 . 1 1 122 122 VAL CB C 122 32.980 32.980 32.548 0.432 19727 1140 1 2 . 1 1 122 122 VAL H H 122 8.371 8.371 7.374 0.997 19727 1141 1 2 . 1 1 123 123 GLU N N 123 126.257 126.257 129.354 -3.097 19727 1142 1 2 . 1 1 123 123 GLU HA H 123 5.670 5.670 5.321 0.349 19727 1143 1 2 . 1 1 123 123 GLU CA C 123 54.010 54.010 55.146 -1.136 19727 1144 1 2 . 1 1 123 123 GLU CB C 123 32.850 32.850 32.221 0.629 19727 1145 1 2 . 1 1 123 123 GLU H H 123 8.511 8.511 8.866 -0.355 19727 1146 1 2 . 1 1 124 124 ALA N N 124 126.354 126.354 129.696 -3.342 19727 1147 1 2 . 1 1 124 124 ALA HA H 124 5.150 5.150 4.797 0.353 19727 1148 1 2 . 1 1 124 124 ALA CA C 124 50.860 50.860 50.617 0.243 19727 1149 1 2 . 1 1 124 124 ALA CB C 124 24.060 24.060 21.939 2.121 19727 1150 1 2 . 1 1 124 124 ALA H H 124 9.258 9.258 9.313 -0.055 19727 1151 1 2 . 1 1 125 125 LYS N N 125 115.989 115.989 122.703 -6.714 19727 1152 1 2 . 1 1 125 125 LYS HA H 125 5.760 5.760 5.380 0.380 19727 1153 1 2 . 1 1 125 125 LYS CA C 125 55.130 55.130 54.758 0.372 19727 1154 1 2 . 1 1 125 125 LYS CB C 125 38.130 38.130 36.242 1.888 19727 1155 1 2 . 1 1 125 125 LYS H H 125 8.847 8.847 8.702 0.145 19727 1156 1 2 . 1 1 126 126 ARG N N 126 120.557 120.557 120.681 -0.124 19727 1157 1 2 . 1 1 126 126 ARG HA H 126 4.750 4.750 4.756 -0.006 19727 1158 1 2 . 1 1 126 126 ARG CA C 126 56.940 56.940 56.330 0.610 19727 1159 1 2 . 1 1 126 126 ARG CB C 126 34.040 34.040 33.399 0.641 19727 1160 1 2 . 1 1 126 126 ARG H H 126 9.241 9.241 9.095 0.146 19727 1161 1 2 . 1 1 127 127 ILE N N 127 122.970 122.970 126.686 -3.716 19727 1162 1 2 . 1 1 127 127 ILE HA H 127 5.020 5.020 4.681 0.339 19727 1163 1 2 . 1 1 127 127 ILE CA C 127 61.670 61.670 59.964 1.706 19727 1164 1 2 . 1 1 127 127 ILE CB C 127 40.200 40.200 37.543 2.657 19727 1165 1 2 . 1 1 127 127 ILE H H 127 8.785 8.785 8.318 0.467 19727 1166 1 2 . 1 1 128 128 PHE N N 128 126.381 126.381 128.311 -1.930 19727 1167 1 2 . 1 1 128 128 PHE HA H 128 5.260 5.260 4.846 0.414 19727 1168 1 2 . 1 1 128 128 PHE CA C 128 56.050 56.050 56.356 -0.306 19727 1169 1 2 . 1 1 128 128 PHE CB C 128 42.730 42.730 43.255 -0.525 19727 1170 1 2 . 1 1 128 128 PHE H H 128 10.070 10.070 9.333 0.737 19727 1171 1 2 . 1 1 129 129 LYS N N 129 118.294 118.294 121.754 -3.460 19727 1172 1 2 . 1 1 129 129 LYS HA H 129 5.310 5.310 4.186 1.124 19727 1173 1 2 . 1 1 129 129 LYS CA C 129 54.740 54.740 53.666 1.074 19727 1174 1 2 . 1 1 129 129 LYS CB C 129 37.070 37.070 36.999 0.071 19727 1175 1 2 . 1 1 129 129 LYS H H 129 8.866 8.866 7.084 1.782 19727 1176 1 2 . 1 1 130 130 LYS N N 130 123.147 123.147 119.117 4.030 19727 1177 1 2 . 1 1 130 130 LYS HA H 130 4.090 4.090 4.395 -0.305 19727 1178 1 2 . 1 1 130 130 LYS CA C 130 57.790 57.790 54.283 3.507 19727 1179 1 2 . 1 1 130 130 LYS CB C 130 33.020 33.020 34.186 -1.166 19727 1180 1 2 . 1 1 130 130 LYS H H 130 9.057 9.057 8.123 0.934 19727 1181 1 3 . 1 1 2 2 PHE N N 2 113.067 113.067 119.821 -6.754 19727 1182 1 3 . 1 1 2 2 PHE HA H 2 4.440 4.440 4.755 -0.315 19727 1183 1 3 . 1 1 2 2 PHE CA C 2 59.610 59.610 58.371 1.239 19727 1184 1 3 . 1 1 2 2 PHE CB C 2 39.760 39.760 39.672 0.088 19727 1185 1 3 . 1 1 2 2 PHE H H 2 8.270 8.270 8.218 0.052 19727 1186 1 3 . 1 1 3 3 ASP N N 3 118.589 118.589 120.130 -1.541 19727 1187 1 3 . 1 1 3 3 ASP HA H 3 4.890 4.890 4.302 0.588 19727 1188 1 3 . 1 1 3 3 ASP CA C 3 55.030 55.030 55.675 -0.645 19727 1189 1 3 . 1 1 3 3 ASP CB C 3 39.460 39.460 39.946 -0.486 19727 1190 1 3 . 1 1 3 3 ASP H H 3 7.554 7.554 8.196 -0.642 19727 1191 1 3 . 1 1 4 4 SER N N 4 120.654 120.654 119.219 1.435 19727 1192 1 3 . 1 1 4 4 SER HA H 4 4.250 4.250 4.619 -0.369 19727 1193 1 3 . 1 1 4 4 SER CA C 4 59.530 59.530 58.277 1.253 19727 1194 1 3 . 1 1 4 4 SER CB C 4 65.300 65.300 65.674 -0.373 19727 1195 1 3 . 1 1 4 4 SER H H 4 8.250 8.250 8.176 0.074 19727 1196 1 3 . 1 1 5 5 THR N N 5 115.812 115.812 119.185 -3.373 19727 1197 1 3 . 1 1 5 5 THR HA H 5 5.160 5.160 4.613 0.547 19727 1198 1 3 . 1 1 5 5 THR CA C 5 63.480 63.480 63.987 -0.507 19727 1199 1 3 . 1 1 5 5 THR CB C 5 69.630 69.630 69.272 0.358 19727 1200 1 3 . 1 1 5 5 THR H H 5 8.041 8.041 8.566 -0.525 19727 1201 1 3 . 1 1 6 6 TRP N N 6 128.256 128.256 128.345 -0.089 19727 1202 1 3 . 1 1 6 6 TRP HA H 6 5.240 5.240 5.350 -0.110 19727 1203 1 3 . 1 1 6 6 TRP CA C 6 55.770 55.770 55.218 0.552 19727 1204 1 3 . 1 1 6 6 TRP CB C 6 32.800 32.800 31.009 1.791 19727 1205 1 3 . 1 1 6 6 TRP H H 6 9.514 9.514 8.806 0.708 19727 1206 1 3 . 1 1 7 7 LYS N N 7 122.895 122.895 123.582 -0.687 19727 1207 1 3 . 1 1 7 7 LYS HA H 7 5.490 5.490 5.031 0.459 19727 1208 1 3 . 1 1 7 7 LYS CA C 7 54.680 54.680 54.654 0.026 19727 1209 1 3 . 1 1 7 7 LYS CB C 7 35.840 35.840 35.386 0.454 19727 1210 1 3 . 1 1 7 7 LYS H H 7 9.954 9.954 8.650 1.304 19727 1211 1 3 . 1 1 8 8 VAL N N 8 128.078 128.078 126.041 2.037 19727 1212 1 3 . 1 1 8 8 VAL HA H 8 3.280 3.280 4.098 -0.818 19727 1213 1 3 . 1 1 8 8 VAL CA C 8 64.810 64.810 63.756 1.054 19727 1214 1 3 . 1 1 8 8 VAL CB C 8 31.790 31.790 33.110 -1.320 19727 1215 1 3 . 1 1 8 8 VAL H H 8 8.780 8.780 8.089 0.691 19727 1216 1 3 . 1 1 9 9 ASP N N 9 127.565 127.565 128.456 -0.891 19727 1217 1 3 . 1 1 9 9 ASP HA H 9 4.930 4.930 4.625 0.305 19727 1218 1 3 . 1 1 9 9 ASP CA C 9 55.750 55.750 56.305 -0.555 19727 1219 1 3 . 1 1 9 9 ASP CB C 9 46.830 46.830 42.180 4.650 19727 1220 1 3 . 1 1 9 9 ASP H H 9 9.712 9.712 8.317 1.395 19727 1221 1 3 . 1 1 10 10 ARG N N 10 112.578 112.578 116.512 -3.934 19727 1222 1 3 . 1 1 10 10 ARG HA H 10 4.740 4.740 4.865 -0.125 19727 1223 1 3 . 1 1 10 10 ARG CA C 10 55.200 55.200 54.896 0.304 19727 1224 1 3 . 1 1 10 10 ARG CB C 10 31.470 31.470 34.225 -2.755 19727 1225 1 3 . 1 1 10 10 ARG H H 10 7.823 7.823 7.453 0.370 19727 1226 1 3 . 1 1 11 11 SER N N 11 113.123 113.123 115.500 -2.377 19727 1227 1 3 . 1 1 11 11 SER HA H 11 5.270 5.270 4.705 0.565 19727 1228 1 3 . 1 1 11 11 SER CA C 11 57.490 57.490 56.890 0.600 19727 1229 1 3 . 1 1 11 11 SER CB C 11 66.620 66.620 65.563 1.057 19727 1230 1 3 . 1 1 11 11 SER H H 11 8.602 8.602 7.768 0.834 19727 1231 1 3 . 1 1 12 12 GLU N N 12 121.867 121.867 122.979 -1.112 19727 1232 1 3 . 1 1 12 12 GLU HA H 12 4.760 4.760 4.486 0.274 19727 1233 1 3 . 1 1 12 12 GLU CA C 12 55.420 55.420 55.312 0.108 19727 1234 1 3 . 1 1 12 12 GLU CB C 12 33.060 33.060 32.346 0.714 19727 1235 1 3 . 1 1 12 12 GLU H H 12 9.447 9.447 8.666 0.781 19727 1236 1 3 . 1 1 13 13 ASN N N 13 121.822 121.822 122.506 -0.684 19727 1237 1 3 . 1 1 13 13 ASN HA H 13 4.720 4.720 4.414 0.306 19727 1238 1 3 . 1 1 13 13 ASN CA C 13 54.200 54.200 54.858 -0.658 19727 1239 1 3 . 1 1 13 13 ASN CB C 13 39.870 39.870 37.489 2.381 19727 1240 1 3 . 1 1 13 13 ASN H H 13 9.350 9.350 9.075 0.275 19727 1241 1 3 . 1 1 14 14 TYR N N 14 120.082 120.082 119.362 0.720 19727 1242 1 3 . 1 1 14 14 TYR HA H 14 4.290 4.290 3.822 0.468 19727 1243 1 3 . 1 1 14 14 TYR CA C 14 60.700 60.700 61.355 -0.655 19727 1244 1 3 . 1 1 14 14 TYR CB C 14 39.620 39.620 38.071 1.549 19727 1245 1 3 . 1 1 14 14 TYR H H 14 8.357 8.357 8.306 0.051 19727 1246 1 3 . 1 1 15 15 ASP N N 15 118.245 118.245 117.829 0.416 19727 1247 1 3 . 1 1 15 15 ASP HA H 15 4.060 4.060 4.323 -0.263 19727 1248 1 3 . 1 1 15 15 ASP CA C 15 58.620 58.620 57.406 1.214 19727 1249 1 3 . 1 1 15 15 ASP CB C 15 41.140 41.140 40.530 0.610 19727 1250 1 3 . 1 1 15 15 ASP H H 15 8.562 8.562 8.731 -0.169 19727 1251 1 3 . 1 1 16 16 LYS N N 16 118.806 118.806 119.379 -0.573 19727 1252 1 3 . 1 1 16 16 LYS HA H 16 4.050 4.050 4.126 -0.076 19727 1253 1 3 . 1 1 16 16 LYS CA C 16 58.610 58.610 59.523 -0.913 19727 1254 1 3 . 1 1 16 16 LYS CB C 16 31.550 31.550 32.448 -0.898 19727 1255 1 3 . 1 1 16 16 LYS H H 16 7.801 7.801 7.548 0.253 19727 1256 1 3 . 1 1 17 17 PHE N N 17 120.733 120.733 116.272 4.461 19727 1257 1 3 . 1 1 17 17 PHE HA H 17 4.020 4.020 4.339 -0.319 19727 1258 1 3 . 1 1 17 17 PHE CA C 17 61.620 61.620 59.692 1.928 19727 1259 1 3 . 1 1 17 17 PHE CB C 17 40.250 40.250 38.286 1.964 19727 1260 1 3 . 1 1 17 17 PHE H H 17 7.543 7.543 8.224 -0.681 19727 1261 1 3 . 1 1 18 18 MET N N 18 117.590 117.590 118.207 -0.617 19727 1262 1 3 . 1 1 18 18 MET HA H 18 3.210 3.210 4.190 -0.980 19727 1263 1 3 . 1 1 18 18 MET CA C 18 59.860 59.860 58.817 1.043 19727 1264 1 3 . 1 1 18 18 MET CB C 18 34.110 34.110 32.094 2.016 19727 1265 1 3 . 1 1 18 18 MET H H 18 8.063 8.063 7.645 0.418 19727 1266 1 3 . 1 1 19 19 GLU N N 19 120.480 120.480 119.783 0.697 19727 1267 1 3 . 1 1 19 19 GLU HA H 19 3.830 3.830 4.200 -0.370 19727 1268 1 3 . 1 1 19 19 GLU CA C 19 60.040 60.040 58.520 1.520 19727 1269 1 3 . 1 1 19 19 GLU CB C 19 29.790 29.790 29.164 0.626 19727 1270 1 3 . 1 1 19 19 GLU H H 19 8.430 8.430 7.891 0.539 19727 1271 1 3 . 1 1 20 20 LYS N N 20 122.631 122.631 119.526 3.105 19727 1272 1 3 . 1 1 20 20 LYS HA H 20 4.070 4.070 4.155 -0.085 19727 1273 1 3 . 1 1 20 20 LYS CA C 20 57.400 57.400 58.691 -1.291 19727 1274 1 3 . 1 1 20 20 LYS CB C 20 31.940 31.940 32.566 -0.626 19727 1275 1 3 . 1 1 20 20 LYS H H 20 8.080 8.080 7.728 0.352 19727 1276 1 3 . 1 1 21 21 MET N N 21 114.794 114.794 116.374 -1.580 19727 1277 1 3 . 1 1 21 21 MET HA H 21 3.810 3.810 3.783 0.027 19727 1278 1 3 . 1 1 21 21 MET CA C 21 56.310 56.310 56.489 -0.179 19727 1279 1 3 . 1 1 21 21 MET CB C 21 32.729 32.729 33.397 -0.668 19727 1280 1 3 . 1 1 21 21 MET H H 21 7.554 7.554 7.409 0.145 19727 1281 1 3 . 1 1 22 22 GLY N N 22 107.423 107.423 106.839 0.584 19727 1282 1 3 . 1 1 22 22 GLY CA C 22 45.310 45.310 44.935 0.375 19727 1283 1 3 . 1 1 22 22 GLY H H 22 7.718 7.718 7.611 0.107 19727 1284 1 3 . 1 1 23 23 VAL N N 23 121.380 121.380 119.982 1.398 19727 1285 1 3 . 1 1 23 23 VAL HA H 23 3.770 3.770 4.425 -0.655 19727 1286 1 3 . 1 1 23 23 VAL CA C 23 62.650 62.650 60.821 1.829 19727 1287 1 3 . 1 1 23 23 VAL CB C 23 32.060 32.060 32.631 -0.571 19727 1288 1 3 . 1 1 23 23 VAL H H 23 7.491 7.491 7.953 -0.462 19727 1289 1 3 . 1 1 24 24 ASN N N 24 127.861 127.861 124.181 3.680 19727 1290 1 3 . 1 1 24 24 ASN HA H 24 4.430 4.430 4.515 -0.085 19727 1291 1 3 . 1 1 24 24 ASN CA C 24 54.090 54.090 54.019 0.071 19727 1292 1 3 . 1 1 24 24 ASN CB C 24 39.330 39.330 39.894 -0.564 19727 1293 1 3 . 1 1 24 24 ASN H H 24 8.780 8.780 8.597 0.183 19727 1294 1 3 . 1 1 25 25 ILE N N 25 121.002 121.002 121.438 -0.436 19727 1295 1 3 . 1 1 25 25 ILE HA H 25 3.660 3.660 4.030 -0.370 19727 1296 1 3 . 1 1 25 25 ILE CA C 25 65.350 65.350 63.414 1.936 19727 1297 1 3 . 1 1 25 25 ILE CB C 25 38.910 38.910 38.624 0.285 19727 1298 1 3 . 1 1 25 25 ILE H H 25 8.494 8.494 8.503 -0.009 19727 1299 1 3 . 1 1 26 26 VAL N N 26 121.014 121.014 120.374 0.640 19727 1300 1 3 . 1 1 26 26 VAL HA H 26 3.680 3.680 3.652 0.028 19727 1301 1 3 . 1 1 26 26 VAL CA C 26 66.080 66.080 66.568 -0.488 19727 1302 1 3 . 1 1 26 26 VAL CB C 26 31.930 31.930 31.006 0.924 19727 1303 1 3 . 1 1 26 26 VAL H H 26 7.569 7.569 8.124 -0.555 19727 1304 1 3 . 1 1 27 27 LYS N N 27 118.674 118.674 117.642 1.032 19727 1305 1 3 . 1 1 27 27 LYS HA H 27 4.140 4.140 4.176 -0.036 19727 1306 1 3 . 1 1 27 27 LYS CA C 27 58.240 58.240 58.315 -0.075 19727 1307 1 3 . 1 1 27 27 LYS CB C 27 32.610 32.610 32.224 0.386 19727 1308 1 3 . 1 1 27 27 LYS H H 27 7.729 7.729 8.246 -0.517 19727 1309 1 3 . 1 1 28 28 ARG N N 28 119.667 119.667 120.406 -0.739 19727 1310 1 3 . 1 1 28 28 ARG HA H 28 3.740 3.740 4.071 -0.331 19727 1311 1 3 . 1 1 28 28 ARG CA C 28 60.040 60.040 57.952 2.088 19727 1312 1 3 . 1 1 28 28 ARG CB C 28 30.760 30.760 29.531 1.229 19727 1313 1 3 . 1 1 28 28 ARG H H 28 8.418 8.418 7.610 0.808 19727 1314 1 3 . 1 1 29 29 LYS N N 29 118.502 118.502 118.392 0.110 19727 1315 1 3 . 1 1 29 29 LYS HA H 29 4.040 4.040 3.982 0.058 19727 1316 1 3 . 1 1 29 29 LYS CA C 29 59.460 59.460 59.536 -0.076 19727 1317 1 3 . 1 1 29 29 LYS CB C 29 32.440 32.440 32.303 0.137 19727 1318 1 3 . 1 1 29 29 LYS H H 29 7.611 7.611 8.430 -0.819 19727 1319 1 3 . 1 1 30 30 LEU N N 30 119.200 119.200 116.558 2.642 19727 1320 1 3 . 1 1 30 30 LEU HA H 30 4.170 4.170 4.390 -0.220 19727 1321 1 3 . 1 1 30 30 LEU CA C 30 57.560 57.560 56.167 1.393 19727 1322 1 3 . 1 1 30 30 LEU CB C 30 42.320 42.320 42.777 -0.457 19727 1323 1 3 . 1 1 30 30 LEU H H 30 7.292 7.292 7.201 0.091 19727 1324 1 3 . 1 1 31 31 ALA N N 31 120.380 120.380 121.005 -0.625 19727 1325 1 3 . 1 1 31 31 ALA HA H 31 4.080 4.080 4.021 0.059 19727 1326 1 3 . 1 1 31 31 ALA CA C 31 54.370 54.370 53.862 0.508 19727 1327 1 3 . 1 1 31 31 ALA CB C 31 19.300 19.300 18.248 1.052 19727 1328 1 3 . 1 1 31 31 ALA H H 31 8.257 8.257 7.435 0.822 19727 1329 1 3 . 1 1 32 32 ALA N N 32 117.152 117.152 119.148 -1.996 19727 1330 1 3 . 1 1 32 32 ALA HA H 32 4.130 4.130 3.369 0.761 19727 1331 1 3 . 1 1 32 32 ALA CA C 32 54.060 54.060 54.275 -0.215 19727 1332 1 3 . 1 1 32 32 ALA CB C 32 18.710 18.710 19.059 -0.350 19727 1333 1 3 . 1 1 32 32 ALA H H 32 7.320 7.320 7.937 -0.617 19727 1334 1 3 . 1 1 33 33 HIS N N 33 115.869 115.869 113.219 2.650 19727 1335 1 3 . 1 1 33 33 HIS HA H 33 5.000 5.000 4.527 0.473 19727 1336 1 3 . 1 1 33 33 HIS CA C 33 54.200 54.200 56.267 -2.067 19727 1337 1 3 . 1 1 33 33 HIS CB C 33 28.310 28.310 29.316 -1.006 19727 1338 1 3 . 1 1 33 33 HIS H H 33 7.675 7.675 7.532 0.143 19727 1339 1 3 . 1 1 34 34 ASP N N 34 117.892 117.892 121.564 -3.672 19727 1340 1 3 . 1 1 34 34 ASP HA H 34 4.200 4.200 3.895 0.305 19727 1341 1 3 . 1 1 34 34 ASP CA C 34 54.450 54.450 56.846 -2.396 19727 1342 1 3 . 1 1 34 34 ASP CB C 34 40.740 40.740 40.490 0.250 19727 1343 1 3 . 1 1 34 34 ASP H H 34 7.430 7.430 8.262 -0.832 19727 1344 1 3 . 1 1 35 35 ASN N N 35 118.996 118.996 118.477 0.519 19727 1345 1 3 . 1 1 35 35 ASN HA H 35 4.310 4.310 4.758 -0.448 19727 1346 1 3 . 1 1 35 35 ASN CA C 35 53.650 53.650 52.621 1.029 19727 1347 1 3 . 1 1 35 35 ASN CB C 35 37.760 37.760 38.065 -0.305 19727 1348 1 3 . 1 1 35 35 ASN H H 35 9.086 9.086 8.131 0.955 19727 1349 1 3 . 1 1 36 36 LEU N N 36 118.708 118.708 121.957 -3.249 19727 1350 1 3 . 1 1 36 36 LEU CA C 36 57.330 57.330 54.499 2.831 19727 1351 1 3 . 1 1 36 36 LEU CB C 36 42.810 42.810 44.742 -1.933 19727 1352 1 3 . 1 1 36 36 LEU H H 36 6.914 6.914 7.369 -0.455 19727 1353 1 3 . 1 1 37 37 LYS N N 37 126.148 126.148 127.990 -1.842 19727 1354 1 3 . 1 1 37 37 LYS HA H 37 5.650 5.650 4.841 0.809 19727 1355 1 3 . 1 1 37 37 LYS CA C 37 55.170 55.170 54.502 0.668 19727 1356 1 3 . 1 1 37 37 LYS CB C 37 36.200 36.200 34.064 2.136 19727 1357 1 3 . 1 1 37 37 LYS H H 37 9.246 9.246 8.200 1.046 19727 1358 1 3 . 1 1 38 38 LEU N N 38 122.300 122.300 129.294 -6.994 19727 1359 1 3 . 1 1 38 38 LEU HA H 38 5.550 5.550 4.788 0.762 19727 1360 1 3 . 1 1 38 38 LEU CA C 38 52.870 52.870 53.627 -0.757 19727 1361 1 3 . 1 1 38 38 LEU CB C 38 46.720 46.720 44.337 2.383 19727 1362 1 3 . 1 1 38 38 LEU H H 38 9.324 9.324 9.352 -0.028 19727 1363 1 3 . 1 1 39 39 THR N N 39 120.586 120.586 122.523 -1.937 19727 1364 1 3 . 1 1 39 39 THR HA H 39 5.280 5.280 4.916 0.364 19727 1365 1 3 . 1 1 39 39 THR CA C 39 62.950 62.950 62.062 0.888 19727 1366 1 3 . 1 1 39 39 THR CB C 39 70.590 70.590 70.776 -0.186 19727 1367 1 3 . 1 1 39 39 THR H H 39 9.191 9.191 8.379 0.812 19727 1368 1 3 . 1 1 40 40 ILE N N 40 128.371 128.371 124.172 4.199 19727 1369 1 3 . 1 1 40 40 ILE HA H 40 4.860 4.860 4.521 0.339 19727 1370 1 3 . 1 1 40 40 ILE CA C 40 61.570 61.570 60.093 1.477 19727 1371 1 3 . 1 1 40 40 ILE CB C 40 40.060 40.060 41.291 -1.230 19727 1372 1 3 . 1 1 40 40 ILE H H 40 8.531 8.531 8.792 -0.261 19727 1373 1 3 . 1 1 41 41 THR N N 41 120.285 120.285 120.735 -0.450 19727 1374 1 3 . 1 1 41 41 THR HA H 41 4.510 4.510 5.054 -0.544 19727 1375 1 3 . 1 1 41 41 THR CA C 41 60.930 60.930 60.157 0.773 19727 1376 1 3 . 1 1 41 41 THR CB C 41 71.450 71.450 71.062 0.388 19727 1377 1 3 . 1 1 41 41 THR H H 41 8.624 8.624 8.101 0.523 19727 1378 1 3 . 1 1 42 42 GLN N N 42 126.369 126.369 122.227 4.142 19727 1379 1 3 . 1 1 42 42 GLN CA C 42 54.400 54.400 55.437 -1.036 19727 1380 1 3 . 1 1 42 42 GLN CB C 42 30.560 30.560 29.930 0.630 19727 1381 1 3 . 1 1 42 42 GLN H H 42 9.050 9.050 8.671 0.379 19727 1382 1 3 . 1 1 43 43 GLU N N 43 128.036 128.036 127.753 0.283 19727 1383 1 3 . 1 1 43 43 GLU HA H 43 4.400 4.400 4.644 -0.244 19727 1384 1 3 . 1 1 43 43 GLU CA C 43 55.020 55.020 55.830 -0.810 19727 1385 1 3 . 1 1 43 43 GLU CB C 43 31.630 31.630 31.057 0.573 19727 1386 1 3 . 1 1 43 43 GLU H H 43 8.807 8.807 8.257 0.550 19727 1387 1 3 . 1 1 44 44 GLY N N 44 117.000 117.000 113.887 3.113 19727 1388 1 3 . 1 1 44 44 GLY CA C 44 47.460 47.460 46.625 0.835 19727 1389 1 3 . 1 1 44 44 GLY H H 44 9.060 9.060 8.610 0.450 19727 1390 1 3 . 1 1 45 45 ASN N N 45 124.910 124.910 120.346 4.564 19727 1391 1 3 . 1 1 45 45 ASN HA H 45 4.830 4.830 4.680 0.150 19727 1392 1 3 . 1 1 45 45 ASN CA C 45 53.040 53.040 53.250 -0.210 19727 1393 1 3 . 1 1 45 45 ASN CB C 45 39.050 39.050 38.032 1.018 19727 1394 1 3 . 1 1 45 45 ASN H H 45 8.769 8.769 8.636 0.133 19727 1395 1 3 . 1 1 46 46 LYS N N 46 120.293 120.293 119.984 0.309 19727 1396 1 3 . 1 1 46 46 LYS HA H 46 4.890 4.890 4.996 -0.106 19727 1397 1 3 . 1 1 46 46 LYS CA C 46 55.760 55.760 55.510 0.250 19727 1398 1 3 . 1 1 46 46 LYS CB C 46 34.610 34.610 35.054 -0.444 19727 1399 1 3 . 1 1 46 46 LYS H H 46 7.873 7.873 7.954 -0.081 19727 1400 1 3 . 1 1 47 47 PHE N N 47 127.531 127.531 122.964 4.567 19727 1401 1 3 . 1 1 47 47 PHE HA H 47 4.700 4.700 5.064 -0.364 19727 1402 1 3 . 1 1 47 47 PHE CA C 47 56.450 56.450 53.938 2.512 19727 1403 1 3 . 1 1 47 47 PHE CB C 47 43.050 43.050 42.081 0.969 19727 1404 1 3 . 1 1 47 47 PHE H H 47 9.130 9.130 9.202 -0.072 19727 1405 1 3 . 1 1 48 48 THR N N 48 115.162 115.162 119.909 -4.747 19727 1406 1 3 . 1 1 48 48 THR HA H 48 4.770 4.770 4.465 0.305 19727 1407 1 3 . 1 1 48 48 THR CA C 48 62.090 62.090 61.934 0.156 19727 1408 1 3 . 1 1 48 48 THR CB C 48 70.280 70.280 69.134 1.146 19727 1409 1 3 . 1 1 48 48 THR H H 48 8.318 8.318 8.349 -0.031 19727 1410 1 3 . 1 1 49 49 VAL N N 49 127.272 127.272 127.810 -0.538 19727 1411 1 3 . 1 1 49 49 VAL HA H 49 4.840 4.840 4.477 0.363 19727 1412 1 3 . 1 1 49 49 VAL CA C 49 61.110 61.110 61.203 -0.093 19727 1413 1 3 . 1 1 49 49 VAL CB C 49 34.330 34.330 32.840 1.490 19727 1414 1 3 . 1 1 49 49 VAL H H 49 9.580 9.580 7.837 1.743 19727 1415 1 3 . 1 1 50 50 LYS N N 50 127.439 127.439 128.768 -1.329 19727 1416 1 3 . 1 1 50 50 LYS HA H 50 4.993 4.993 4.562 0.431 19727 1417 1 3 . 1 1 50 50 LYS CA C 50 55.500 55.500 55.126 0.374 19727 1418 1 3 . 1 1 50 50 LYS CB C 50 33.320 33.320 34.447 -1.127 19727 1419 1 3 . 1 1 50 50 LYS H H 50 9.175 9.175 8.767 0.408 19727 1420 1 3 . 1 1 51 51 GLU N N 51 128.140 128.140 127.937 0.203 19727 1421 1 3 . 1 1 51 51 GLU HA H 51 5.090 5.090 5.148 -0.058 19727 1422 1 3 . 1 1 51 51 GLU CA C 51 55.160 55.160 55.806 -0.646 19727 1423 1 3 . 1 1 51 51 GLU CB C 51 31.450 31.450 32.140 -0.690 19727 1424 1 3 . 1 1 51 51 GLU H H 51 9.173 9.173 9.079 0.094 19727 1425 1 3 . 1 1 52 52 SER N N 52 120.997 120.997 121.458 -0.461 19727 1426 1 3 . 1 1 52 52 SER CA C 52 56.630 56.630 57.989 -1.359 19727 1427 1 3 . 1 1 52 52 SER CB C 52 65.290 65.290 64.246 1.044 19727 1428 1 3 . 1 1 52 52 SER H H 52 9.015 9.015 8.196 0.819 19727 1429 1 3 . 1 1 53 53 SER N N 53 117.567 117.567 120.238 -2.671 19727 1430 1 3 . 1 1 53 53 SER CA C 53 56.780 56.780 57.297 -0.517 19727 1431 1 3 . 1 1 53 53 SER CB C 53 68.320 68.320 66.125 2.195 19727 1432 1 3 . 1 1 53 53 SER H H 53 9.013 9.013 8.181 0.832 19727 1433 1 3 . 1 1 54 54 ALA N N 54 119.830 119.830 123.293 -3.463 19727 1434 1 3 . 1 1 54 54 ALA HA H 54 4.030 4.030 4.144 -0.114 19727 1435 1 3 . 1 1 54 54 ALA CA C 54 54.030 54.030 54.650 -0.620 19727 1436 1 3 . 1 1 54 54 ALA CB C 54 18.380 18.380 18.817 -0.437 19727 1437 1 3 . 1 1 54 54 ALA H H 54 9.009 9.009 8.498 0.511 19727 1438 1 3 . 1 1 55 55 PHE N N 55 112.640 112.640 113.993 -1.353 19727 1439 1 3 . 1 1 55 55 PHE H H 55 8.050 8.050 7.285 0.765 19727 1440 1 3 . 1 1 57 57 ASN N N 57 119.170 119.170 116.996 2.174 19727 1441 1 3 . 1 1 57 57 ASN HA H 57 5.840 5.840 5.027 0.813 19727 1442 1 3 . 1 1 57 57 ASN CA C 57 53.190 53.190 52.404 0.786 19727 1443 1 3 . 1 1 57 57 ASN CB C 57 40.990 40.990 40.653 0.337 19727 1444 1 3 . 1 1 57 57 ASN H H 57 8.487 8.487 8.305 0.182 19727 1445 1 3 . 1 1 58 58 ILE N N 58 117.653 117.653 120.248 -2.595 19727 1446 1 3 . 1 1 58 58 ILE HA H 58 4.860 4.860 4.575 0.285 19727 1447 1 3 . 1 1 58 58 ILE CA C 58 60.150 60.150 59.960 0.190 19727 1448 1 3 . 1 1 58 58 ILE CB C 58 43.590 43.590 42.699 0.891 19727 1449 1 3 . 1 1 58 58 ILE H H 58 8.803 8.803 8.538 0.265 19727 1450 1 3 . 1 1 59 59 GLU N N 59 123.376 123.376 121.036 2.340 19727 1451 1 3 . 1 1 59 59 GLU HA H 59 5.260 5.260 4.505 0.755 19727 1452 1 3 . 1 1 59 59 GLU CA C 59 60.170 60.170 55.825 4.345 19727 1453 1 3 . 1 1 59 59 GLU CB C 59 32.900 32.900 32.431 0.469 19727 1454 1 3 . 1 1 59 59 GLU H H 59 8.519 8.519 8.246 0.273 19727 1455 1 3 . 1 1 60 60 VAL N N 60 127.157 127.157 114.718 12.439 19727 1456 1 3 . 1 1 60 60 VAL HA H 60 4.460 4.460 3.931 0.529 19727 1457 1 3 . 1 1 60 60 VAL CA C 60 61.730 61.730 60.802 0.928 19727 1458 1 3 . 1 1 60 60 VAL CB C 60 35.030 35.030 32.935 2.095 19727 1459 1 3 . 1 1 60 60 VAL H H 60 9.227 9.227 8.329 0.898 19727 1460 1 3 . 1 1 61 61 VAL N N 61 125.109 125.109 125.360 -0.251 19727 1461 1 3 . 1 1 61 61 VAL HA H 61 5.160 5.160 3.794 1.366 19727 1462 1 3 . 1 1 61 61 VAL CA C 61 60.350 60.350 63.006 -2.656 19727 1463 1 3 . 1 1 61 61 VAL CB C 61 34.600 34.600 31.839 2.761 19727 1464 1 3 . 1 1 61 61 VAL H H 61 8.179 8.179 8.232 -0.053 19727 1465 1 3 . 1 1 62 62 PHE N N 62 121.713 121.713 123.170 -1.457 19727 1466 1 3 . 1 1 62 62 PHE HA H 62 4.840 4.840 4.799 0.041 19727 1467 1 3 . 1 1 62 62 PHE CA C 62 55.320 55.320 55.817 -0.497 19727 1468 1 3 . 1 1 62 62 PHE CB C 62 41.060 41.060 43.131 -2.071 19727 1469 1 3 . 1 1 62 62 PHE H H 62 8.432 8.432 8.918 -0.486 19727 1470 1 3 . 1 1 63 63 GLU N N 63 119.775 119.775 121.133 -1.358 19727 1471 1 3 . 1 1 63 63 GLU HA H 63 5.330 5.330 4.964 0.366 19727 1472 1 3 . 1 1 63 63 GLU CA C 63 53.700 53.700 55.368 -1.668 19727 1473 1 3 . 1 1 63 63 GLU CB C 63 32.720 32.720 34.188 -1.468 19727 1474 1 3 . 1 1 63 63 GLU H H 63 9.386 9.386 8.762 0.624 19727 1475 1 3 . 1 1 64 64 LEU N N 64 124.568 124.568 125.687 -1.119 19727 1476 1 3 . 1 1 64 64 LEU HA H 64 4.530 4.530 4.175 0.355 19727 1477 1 3 . 1 1 64 64 LEU CA C 64 56.770 56.770 56.007 0.763 19727 1478 1 3 . 1 1 64 64 LEU CB C 64 41.390 41.390 40.647 0.743 19727 1479 1 3 . 1 1 64 64 LEU H H 64 8.834 8.834 8.580 0.254 19727 1480 1 3 . 1 1 65 65 GLY N N 65 108.336 108.336 112.787 -4.451 19727 1481 1 3 . 1 1 65 65 GLY CA C 65 46.210 46.210 44.699 1.511 19727 1482 1 3 . 1 1 65 65 GLY H H 65 9.299 9.299 8.641 0.658 19727 1483 1 3 . 1 1 66 66 VAL N N 66 121.972 121.972 119.254 2.718 19727 1484 1 3 . 1 1 66 66 VAL HA H 66 4.380 4.380 4.356 0.024 19727 1485 1 3 . 1 1 66 66 VAL CA C 66 62.660 62.660 60.630 2.030 19727 1486 1 3 . 1 1 66 66 VAL CB C 66 32.900 32.900 34.789 -1.889 19727 1487 1 3 . 1 1 66 66 VAL H H 66 7.905 7.905 7.793 0.112 19727 1488 1 3 . 1 1 67 67 THR N N 67 129.168 129.168 120.592 8.576 19727 1489 1 3 . 1 1 67 67 THR HA H 67 4.390 4.390 4.384 0.006 19727 1490 1 3 . 1 1 67 67 THR CA C 67 64.580 64.580 63.870 0.710 19727 1491 1 3 . 1 1 67 67 THR CB C 67 69.140 69.140 69.710 -0.570 19727 1492 1 3 . 1 1 67 67 THR H H 67 8.784 8.784 8.425 0.359 19727 1493 1 3 . 1 1 68 68 PHE N N 68 126.387 126.387 123.357 3.030 19727 1494 1 3 . 1 1 68 68 PHE HA H 68 5.120 5.120 4.492 0.628 19727 1495 1 3 . 1 1 68 68 PHE CA C 68 56.240 56.240 58.288 -2.048 19727 1496 1 3 . 1 1 68 68 PHE CB C 68 41.980 41.980 40.489 1.490 19727 1497 1 3 . 1 1 68 68 PHE H H 68 9.687 9.687 8.513 1.174 19727 1498 1 3 . 1 1 69 69 ASN N N 69 116.298 116.298 118.973 -2.675 19727 1499 1 3 . 1 1 69 69 ASN HA H 69 5.340 5.340 5.353 -0.013 19727 1500 1 3 . 1 1 69 69 ASN CA C 69 51.630 51.630 53.057 -1.427 19727 1501 1 3 . 1 1 69 69 ASN CB C 69 40.640 40.640 42.220 -1.580 19727 1502 1 3 . 1 1 69 69 ASN H H 69 8.370 8.370 8.674 -0.304 19727 1503 1 3 . 1 1 70 70 TYR N N 70 120.913 120.913 119.419 1.494 19727 1504 1 3 . 1 1 70 70 TYR H H 70 8.655 8.655 8.389 0.266 19727 1505 1 3 . 1 1 73 73 ALA HA H 73 3.760 3.760 4.171 -0.411 19727 1506 1 3 . 1 1 73 73 ALA CA C 73 53.600 53.600 53.807 -0.207 19727 1507 1 3 . 1 1 73 73 ALA CB C 73 17.960 17.960 18.788 -0.828 19727 1508 1 3 . 1 1 74 74 ASP N N 74 113.641 113.641 116.844 -3.203 19727 1509 1 3 . 1 1 74 74 ASP CA C 74 52.960 52.960 56.455 -3.495 19727 1510 1 3 . 1 1 74 74 ASP CB C 74 39.210 39.210 40.662 -1.452 19727 1511 1 3 . 1 1 74 74 ASP H H 74 8.575 8.575 8.670 -0.095 19727 1512 1 3 . 1 1 75 75 GLY N N 75 107.874 107.874 106.969 0.905 19727 1513 1 3 . 1 1 75 75 GLY CA C 75 44.800 44.800 45.152 -0.352 19727 1514 1 3 . 1 1 75 75 GLY H H 75 7.745 7.745 8.366 -0.621 19727 1515 1 3 . 1 1 76 76 THR N N 76 119.192 119.192 115.964 3.228 19727 1516 1 3 . 1 1 76 76 THR CA C 76 64.980 64.980 62.353 2.627 19727 1517 1 3 . 1 1 76 76 THR CB C 76 68.240 68.240 70.665 -2.425 19727 1518 1 3 . 1 1 76 76 THR H H 76 7.724 7.724 7.611 0.113 19727 1519 1 3 . 1 1 77 77 GLU N N 77 128.678 128.678 127.789 0.889 19727 1520 1 3 . 1 1 77 77 GLU CA C 77 56.450 56.450 56.089 0.361 19727 1521 1 3 . 1 1 77 77 GLU CB C 77 31.500 31.500 30.817 0.683 19727 1522 1 3 . 1 1 77 77 GLU H H 77 8.468 8.468 8.808 -0.340 19727 1523 1 3 . 1 1 78 78 LEU N N 78 124.431 124.431 123.007 1.424 19727 1524 1 3 . 1 1 78 78 LEU HA H 78 5.130 5.130 4.882 0.248 19727 1525 1 3 . 1 1 78 78 LEU CA C 78 53.230 53.230 54.613 -1.383 19727 1526 1 3 . 1 1 78 78 LEU CB C 78 45.400 45.400 43.479 1.921 19727 1527 1 3 . 1 1 78 78 LEU H H 78 8.875 8.875 7.683 1.192 19727 1528 1 3 . 1 1 79 79 ARG HA H 79 5.390 5.390 5.252 0.138 19727 1529 1 3 . 1 1 79 79 ARG CA C 79 54.560 54.560 55.269 -0.709 19727 1530 1 3 . 1 1 79 79 ARG CB C 79 33.860 33.860 33.465 0.395 19727 1531 1 3 . 1 1 80 80 GLY N N 80 115.450 115.450 113.518 1.932 19727 1532 1 3 . 1 1 80 80 GLY CA C 80 46.730 46.730 45.378 1.352 19727 1533 1 3 . 1 1 80 80 GLY H H 80 9.026 9.026 8.560 0.466 19727 1534 1 3 . 1 1 81 81 THR N N 81 106.379 106.379 110.867 -4.488 19727 1535 1 3 . 1 1 81 81 THR HA H 81 4.680 4.680 4.838 -0.158 19727 1536 1 3 . 1 1 81 81 THR CA C 81 59.010 59.010 61.422 -2.412 19727 1537 1 3 . 1 1 81 81 THR CB C 81 73.140 73.140 70.787 2.353 19727 1538 1 3 . 1 1 81 81 THR H H 81 6.937 6.937 7.828 -0.891 19727 1539 1 3 . 1 1 82 82 TRP N N 82 120.025 120.025 121.079 -1.054 19727 1540 1 3 . 1 1 82 82 TRP HA H 82 5.350 5.350 4.589 0.761 19727 1541 1 3 . 1 1 82 82 TRP CA C 82 56.400 56.400 56.865 -0.465 19727 1542 1 3 . 1 1 82 82 TRP CB C 82 33.630 33.630 32.728 0.902 19727 1543 1 3 . 1 1 82 82 TRP H H 82 9.126 9.126 7.917 1.209 19727 1544 1 3 . 1 1 83 83 SER N N 83 115.180 115.180 118.983 -3.803 19727 1545 1 3 . 1 1 83 83 SER HA H 83 5.490 5.490 4.648 0.842 19727 1546 1 3 . 1 1 83 83 SER CA C 83 57.080 57.080 56.240 0.840 19727 1547 1 3 . 1 1 83 83 SER CB C 83 65.680 65.680 66.296 -0.616 19727 1548 1 3 . 1 1 83 83 SER H H 83 9.045 9.045 7.976 1.069 19727 1549 1 3 . 1 1 84 84 LEU N N 84 125.420 125.420 123.503 1.917 19727 1550 1 3 . 1 1 84 84 LEU HA H 84 5.200 5.200 4.467 0.733 19727 1551 1 3 . 1 1 84 84 LEU CA C 84 54.600 54.600 54.169 0.431 19727 1552 1 3 . 1 1 84 84 LEU CB C 84 45.130 45.130 44.861 0.269 19727 1553 1 3 . 1 1 84 84 LEU H H 84 8.889 8.889 8.498 0.391 19727 1554 1 3 . 1 1 85 85 GLU N N 85 127.397 127.397 124.399 2.998 19727 1555 1 3 . 1 1 85 85 GLU HA H 85 4.610 4.610 4.537 0.073 19727 1556 1 3 . 1 1 85 85 GLU CA C 85 55.310 55.310 55.276 0.034 19727 1557 1 3 . 1 1 85 85 GLU CB C 85 31.470 31.470 30.612 0.858 19727 1558 1 3 . 1 1 85 85 GLU H H 85 8.964 8.964 9.072 -0.108 19727 1559 1 3 . 1 1 86 86 GLY N N 86 117.395 117.395 116.155 1.240 19727 1560 1 3 . 1 1 86 86 GLY CA C 86 47.580 47.580 47.140 0.440 19727 1561 1 3 . 1 1 86 86 GLY H H 86 9.039 9.039 8.821 0.218 19727 1562 1 3 . 1 1 87 87 ASN N N 87 122.457 122.457 124.176 -1.719 19727 1563 1 3 . 1 1 87 87 ASN HA H 87 4.820 4.820 5.162 -0.342 19727 1564 1 3 . 1 1 87 87 ASN CA C 87 53.170 53.170 52.962 0.208 19727 1565 1 3 . 1 1 87 87 ASN CB C 87 38.800 38.800 39.595 -0.795 19727 1566 1 3 . 1 1 87 87 ASN H H 87 8.765 8.765 8.624 0.141 19727 1567 1 3 . 1 1 88 88 LYS N N 88 117.971 117.971 118.980 -1.009 19727 1568 1 3 . 1 1 88 88 LYS HA H 88 4.960 4.960 5.209 -0.249 19727 1569 1 3 . 1 1 88 88 LYS CA C 88 56.000 56.000 55.307 0.693 19727 1570 1 3 . 1 1 88 88 LYS CB C 88 35.580 35.580 36.236 -0.656 19727 1571 1 3 . 1 1 88 88 LYS H H 88 7.986 7.986 7.626 0.360 19727 1572 1 3 . 1 1 89 89 LEU N N 89 122.876 122.876 121.868 1.008 19727 1573 1 3 . 1 1 89 89 LEU HA H 89 5.010 5.010 4.862 0.148 19727 1574 1 3 . 1 1 89 89 LEU CA C 89 53.450 53.450 53.512 -0.062 19727 1575 1 3 . 1 1 89 89 LEU CB C 89 43.856 43.856 43.944 -0.088 19727 1576 1 3 . 1 1 89 89 LEU H H 89 8.622 8.622 9.114 -0.492 19727 1577 1 3 . 1 1 90 90 ILE N N 90 124.780 124.780 120.721 4.059 19727 1578 1 3 . 1 1 90 90 ILE HA H 90 4.600 4.600 4.734 -0.134 19727 1579 1 3 . 1 1 90 90 ILE CA C 90 60.250 60.250 59.725 0.525 19727 1580 1 3 . 1 1 90 90 ILE CB C 90 38.760 38.760 38.399 0.361 19727 1581 1 3 . 1 1 90 90 ILE H H 90 9.589 9.589 8.708 0.881 19727 1582 1 3 . 1 1 91 91 GLY N N 91 121.700 121.700 114.252 7.448 19727 1583 1 3 . 1 1 91 91 GLY CA C 91 44.680 44.680 43.739 0.941 19727 1584 1 3 . 1 1 91 91 GLY H H 91 9.620 9.620 8.031 1.589 19727 1585 1 3 . 1 1 92 92 LYS N N 92 127.600 127.600 118.484 9.116 19727 1586 1 3 . 1 1 92 92 LYS HA H 92 4.710 4.710 5.029 -0.319 19727 1587 1 3 . 1 1 92 92 LYS CA C 92 55.450 55.450 55.380 0.070 19727 1588 1 3 . 1 1 92 92 LYS CB C 92 33.530 33.530 37.274 -3.744 19727 1589 1 3 . 1 1 92 92 LYS H H 92 7.730 7.730 8.109 -0.379 19727 1590 1 3 . 1 1 93 93 PHE N N 93 122.003 122.003 121.060 0.943 19727 1591 1 3 . 1 1 93 93 PHE HA H 93 5.200 5.200 4.973 0.227 19727 1592 1 3 . 1 1 93 93 PHE CA C 93 55.960 55.960 56.984 -1.024 19727 1593 1 3 . 1 1 93 93 PHE CB C 93 44.350 44.350 44.438 -0.088 19727 1594 1 3 . 1 1 93 93 PHE H H 93 8.443 8.443 8.667 -0.224 19727 1595 1 3 . 1 1 94 94 LYS N N 94 119.319 119.319 119.053 0.266 19727 1596 1 3 . 1 1 94 94 LYS HA H 94 5.050 5.050 5.325 -0.275 19727 1597 1 3 . 1 1 94 94 LYS CA C 94 55.150 55.150 55.333 -0.183 19727 1598 1 3 . 1 1 94 94 LYS CB C 94 36.180 36.180 35.556 0.624 19727 1599 1 3 . 1 1 94 94 LYS H H 94 8.803 8.803 8.778 0.025 19727 1600 1 3 . 1 1 95 95 ARG N N 95 122.142 122.142 126.585 -4.443 19727 1601 1 3 . 1 1 95 95 ARG HA H 95 4.760 4.760 4.796 -0.036 19727 1602 1 3 . 1 1 95 95 ARG CA C 95 56.030 56.030 56.568 -0.538 19727 1603 1 3 . 1 1 95 95 ARG CB C 95 31.720 31.720 31.348 0.372 19727 1604 1 3 . 1 1 95 95 ARG H H 95 8.738 8.738 8.619 0.119 19727 1605 1 3 . 1 1 96 96 THR N N 96 117.210 117.210 116.472 0.738 19727 1606 1 3 . 1 1 96 96 THR HA H 96 4.060 4.060 4.134 -0.074 19727 1607 1 3 . 1 1 96 96 THR CA C 96 64.140 64.140 65.003 -0.863 19727 1608 1 3 . 1 1 96 96 THR CB C 96 68.570 68.570 68.703 -0.133 19727 1609 1 3 . 1 1 96 96 THR H H 96 8.520 8.520 8.708 -0.188 19727 1610 1 3 . 1 1 97 97 ASP N N 97 120.647 120.647 119.901 0.746 19727 1611 1 3 . 1 1 97 97 ASP HA H 97 4.330 4.330 4.432 -0.102 19727 1612 1 3 . 1 1 97 97 ASP CA C 97 56.200 56.200 56.138 0.062 19727 1613 1 3 . 1 1 97 97 ASP CB C 97 38.860 38.860 41.026 -2.166 19727 1614 1 3 . 1 1 97 97 ASP H H 97 8.932 8.932 8.302 0.630 19727 1615 1 3 . 1 1 98 98 ASN N N 98 116.362 116.362 115.684 0.678 19727 1616 1 3 . 1 1 98 98 ASN HA H 98 4.750 4.750 4.714 0.036 19727 1617 1 3 . 1 1 98 98 ASN CA C 98 51.640 51.640 53.538 -1.897 19727 1618 1 3 . 1 1 98 98 ASN CB C 98 39.340 39.340 39.016 0.324 19727 1619 1 3 . 1 1 98 98 ASN H H 98 8.614 8.614 7.608 1.006 19727 1620 1 3 . 1 1 99 99 GLY N N 99 107.794 107.794 109.136 -1.342 19727 1621 1 3 . 1 1 99 99 GLY CA C 99 46.300 46.300 46.233 0.067 19727 1622 1 3 . 1 1 99 99 GLY H H 99 7.811 7.811 8.223 -0.412 19727 1623 1 3 . 1 1 100 100 ASN N N 100 118.972 118.972 119.182 -0.210 19727 1624 1 3 . 1 1 100 100 ASN HA H 100 4.690 4.690 4.443 0.247 19727 1625 1 3 . 1 1 100 100 ASN CA C 100 53.210 53.210 53.422 -0.212 19727 1626 1 3 . 1 1 100 100 ASN CB C 100 38.970 38.970 39.503 -0.533 19727 1627 1 3 . 1 1 100 100 ASN H H 100 8.416 8.416 8.011 0.405 19727 1628 1 3 . 1 1 101 101 GLU N N 101 119.642 119.642 121.519 -1.877 19727 1629 1 3 . 1 1 101 101 GLU HA H 101 4.790 4.790 4.335 0.455 19727 1630 1 3 . 1 1 101 101 GLU CA C 101 57.020 57.020 57.138 -0.118 19727 1631 1 3 . 1 1 101 101 GLU CB C 101 31.970 31.970 30.779 1.191 19727 1632 1 3 . 1 1 101 101 GLU H H 101 8.730 8.730 8.248 0.482 19727 1633 1 3 . 1 1 102 102 LEU N N 102 125.033 125.033 127.432 -2.399 19727 1634 1 3 . 1 1 102 102 LEU HA H 102 5.200 5.200 5.389 -0.189 19727 1635 1 3 . 1 1 102 102 LEU CA C 102 55.260 55.260 54.017 1.243 19727 1636 1 3 . 1 1 102 102 LEU CB C 102 45.870 45.870 45.818 0.052 19727 1637 1 3 . 1 1 102 102 LEU H H 102 8.908 8.908 8.047 0.861 19727 1638 1 3 . 1 1 103 103 ASN N N 103 123.919 123.919 125.549 -1.630 19727 1639 1 3 . 1 1 103 103 ASN HA H 103 5.670 5.670 5.271 0.399 19727 1640 1 3 . 1 1 103 103 ASN CA C 103 52.150 52.150 51.951 0.199 19727 1641 1 3 . 1 1 103 103 ASN CB C 103 41.970 41.970 42.036 -0.066 19727 1642 1 3 . 1 1 103 103 ASN H H 103 8.452 8.452 9.094 -0.642 19727 1643 1 3 . 1 1 104 104 THR N N 104 117.100 117.100 117.616 -0.516 19727 1644 1 3 . 1 1 104 104 THR HA H 104 5.530 5.530 5.091 0.439 19727 1645 1 3 . 1 1 104 104 THR CA C 104 58.550 58.550 61.821 -3.271 19727 1646 1 3 . 1 1 104 104 THR CB C 104 70.450 70.450 71.328 -0.878 19727 1647 1 3 . 1 1 104 104 THR H H 104 9.050 9.050 8.456 0.594 19727 1648 1 3 . 1 1 105 105 VAL HA H 105 5.290 5.290 4.611 0.679 19727 1649 1 3 . 1 1 105 105 VAL CA C 105 61.070 61.070 60.664 0.406 19727 1650 1 3 . 1 1 105 105 VAL CB C 105 36.290 36.290 34.074 2.216 19727 1651 1 3 . 1 1 106 106 ARG N N 106 124.249 124.249 126.523 -2.274 19727 1652 1 3 . 1 1 106 106 ARG CA C 106 54.890 54.890 52.931 1.959 19727 1653 1 3 . 1 1 106 106 ARG CB C 106 33.890 33.890 31.156 2.734 19727 1654 1 3 . 1 1 106 106 ARG H H 106 9.466 9.466 9.343 0.123 19727 1655 1 3 . 1 1 107 107 GLU N N 107 120.784 120.784 123.100 -2.316 19727 1656 1 3 . 1 1 107 107 GLU HA H 107 4.960 4.960 4.936 0.024 19727 1657 1 3 . 1 1 107 107 GLU CA C 107 54.810 54.810 53.930 0.880 19727 1658 1 3 . 1 1 107 107 GLU CB C 107 33.800 33.800 32.941 0.859 19727 1659 1 3 . 1 1 107 107 GLU H H 107 8.605 8.605 8.219 0.386 19727 1660 1 3 . 1 1 108 108 ILE N N 108 124.182 124.182 124.353 -0.171 19727 1661 1 3 . 1 1 108 108 ILE HA H 108 4.780 4.780 4.171 0.609 19727 1662 1 3 . 1 1 108 108 ILE CA C 108 59.050 59.050 61.460 -2.410 19727 1663 1 3 . 1 1 108 108 ILE CB C 108 36.670 36.670 35.254 1.416 19727 1664 1 3 . 1 1 108 108 ILE H H 108 8.732 8.732 8.223 0.509 19727 1665 1 3 . 1 1 109 109 ILE N N 109 129.631 129.631 128.627 1.004 19727 1666 1 3 . 1 1 109 109 ILE HA H 109 4.250 4.250 4.100 0.150 19727 1667 1 3 . 1 1 109 109 ILE CA C 109 61.100 61.100 60.519 0.581 19727 1668 1 3 . 1 1 109 109 ILE CB C 109 39.290 39.290 38.580 0.710 19727 1669 1 3 . 1 1 109 109 ILE H H 109 8.903 8.903 8.137 0.766 19727 1670 1 3 . 1 1 110 110 GLY N N 110 119.473 119.473 116.578 2.895 19727 1671 1 3 . 1 1 110 110 GLY CA C 110 47.690 47.690 46.179 1.511 19727 1672 1 3 . 1 1 110 110 GLY H H 110 9.123 9.123 8.361 0.762 19727 1673 1 3 . 1 1 111 111 ASP N N 111 123.998 123.998 122.855 1.143 19727 1674 1 3 . 1 1 111 111 ASP HA H 111 4.750 4.750 4.685 0.065 19727 1675 1 3 . 1 1 111 111 ASP CA C 111 54.100 54.100 54.254 -0.154 19727 1676 1 3 . 1 1 111 111 ASP CB C 111 41.490 41.490 40.804 0.686 19727 1677 1 3 . 1 1 111 111 ASP H H 111 8.699 8.699 8.488 0.211 19727 1678 1 3 . 1 1 112 112 GLU N N 112 118.194 118.194 116.975 1.219 19727 1679 1 3 . 1 1 112 112 GLU HA H 112 5.150 5.150 4.591 0.559 19727 1680 1 3 . 1 1 112 112 GLU CA C 112 55.560 55.560 54.629 0.931 19727 1681 1 3 . 1 1 112 112 GLU CB C 112 33.200 33.200 33.981 -0.781 19727 1682 1 3 . 1 1 112 112 GLU H H 112 7.924 7.924 8.236 -0.312 19727 1683 1 3 . 1 1 113 113 LEU N N 113 123.501 123.501 121.893 1.608 19727 1684 1 3 . 1 1 113 113 LEU HA H 113 4.400 4.400 4.865 -0.465 19727 1685 1 3 . 1 1 113 113 LEU CA C 113 54.140 54.140 54.153 -0.013 19727 1686 1 3 . 1 1 113 113 LEU CB C 113 42.180 42.180 45.727 -3.547 19727 1687 1 3 . 1 1 113 113 LEU H H 113 7.851 7.851 8.340 -0.489 19727 1688 1 3 . 1 1 114 114 VAL N N 114 127.898 127.898 126.874 1.024 19727 1689 1 3 . 1 1 114 114 VAL HA H 114 4.520 4.520 4.602 -0.082 19727 1690 1 3 . 1 1 114 114 VAL CA C 114 62.290 62.290 60.960 1.330 19727 1691 1 3 . 1 1 114 114 VAL CB C 114 33.430 33.430 33.194 0.236 19727 1692 1 3 . 1 1 114 114 VAL H H 114 9.357 9.357 8.521 0.836 19727 1693 1 3 . 1 1 115 115 GLN N N 115 130.218 130.218 130.505 -0.287 19727 1694 1 3 . 1 1 115 115 GLN HA H 115 5.710 5.710 4.879 0.831 19727 1695 1 3 . 1 1 115 115 GLN CA C 115 53.930 53.930 54.521 -0.591 19727 1696 1 3 . 1 1 115 115 GLN CB C 115 30.060 30.060 30.830 -0.770 19727 1697 1 3 . 1 1 115 115 GLN H H 115 9.552 9.552 9.210 0.342 19727 1698 1 3 . 1 1 116 116 THR N N 116 121.078 121.078 124.246 -3.168 19727 1699 1 3 . 1 1 116 116 THR HA H 116 5.080 5.080 5.076 0.004 19727 1700 1 3 . 1 1 116 116 THR CA C 116 61.800 61.800 61.486 0.314 19727 1701 1 3 . 1 1 116 116 THR CB C 116 70.470 70.470 68.818 1.652 19727 1702 1 3 . 1 1 116 116 THR H H 116 8.832 8.832 8.371 0.461 19727 1703 1 3 . 1 1 117 117 TYR N N 117 125.712 125.712 126.886 -1.174 19727 1704 1 3 . 1 1 117 117 TYR HA H 117 4.950 4.950 5.632 -0.682 19727 1705 1 3 . 1 1 117 117 TYR CA C 117 56.430 56.430 56.261 0.169 19727 1706 1 3 . 1 1 117 117 TYR CB C 117 42.110 42.110 41.368 0.742 19727 1707 1 3 . 1 1 117 117 TYR H H 117 9.440 9.440 9.624 -0.184 19727 1708 1 3 . 1 1 118 118 VAL N N 118 120.314 120.314 119.359 0.955 19727 1709 1 3 . 1 1 118 118 VAL HA H 118 5.350 5.350 5.065 0.285 19727 1710 1 3 . 1 1 118 118 VAL CA C 118 62.170 62.170 60.535 1.635 19727 1711 1 3 . 1 1 118 118 VAL CB C 118 34.810 34.810 35.533 -0.723 19727 1712 1 3 . 1 1 118 118 VAL H H 118 9.026 9.026 9.448 -0.422 19727 1713 1 3 . 1 1 119 119 TYR N N 119 127.564 127.564 127.711 -0.147 19727 1714 1 3 . 1 1 119 119 TYR HA H 119 4.940 4.940 5.253 -0.313 19727 1715 1 3 . 1 1 119 119 TYR CA C 119 58.170 58.170 56.836 1.334 19727 1716 1 3 . 1 1 119 119 TYR CB C 119 43.490 43.490 41.120 2.370 19727 1717 1 3 . 1 1 119 119 TYR H H 119 9.041 9.041 9.240 -0.199 19727 1718 1 3 . 1 1 120 120 GLU N N 120 125.533 125.533 129.671 -4.138 19727 1719 1 3 . 1 1 120 120 GLU HA H 120 3.430 3.430 3.791 -0.361 19727 1720 1 3 . 1 1 120 120 GLU CA C 120 56.140 56.140 57.596 -1.456 19727 1721 1 3 . 1 1 120 120 GLU CB C 120 28.400 28.400 27.729 0.671 19727 1722 1 3 . 1 1 120 120 GLU H H 120 9.509 9.509 8.265 1.244 19727 1723 1 3 . 1 1 121 121 GLY N N 121 102.076 102.076 107.436 -5.360 19727 1724 1 3 . 1 1 121 121 GLY CA C 121 45.480 45.480 45.757 -0.277 19727 1725 1 3 . 1 1 121 121 GLY H H 121 8.374 8.374 8.483 -0.109 19727 1726 1 3 . 1 1 122 122 VAL N N 122 123.797 123.797 120.196 3.601 19727 1727 1 3 . 1 1 122 122 VAL HA H 122 4.190 4.190 4.364 -0.174 19727 1728 1 3 . 1 1 122 122 VAL CA C 122 62.660 62.660 61.315 1.345 19727 1729 1 3 . 1 1 122 122 VAL CB C 122 32.980 32.980 34.004 -1.024 19727 1730 1 3 . 1 1 122 122 VAL H H 122 8.371 8.371 7.721 0.650 19727 1731 1 3 . 1 1 123 123 GLU N N 123 126.257 126.257 125.685 0.572 19727 1732 1 3 . 1 1 123 123 GLU HA H 123 5.670 5.670 5.398 0.272 19727 1733 1 3 . 1 1 123 123 GLU CA C 123 54.010 54.010 55.854 -1.844 19727 1734 1 3 . 1 1 123 123 GLU CB C 123 32.850 32.850 33.430 -0.580 19727 1735 1 3 . 1 1 123 123 GLU H H 123 8.511 8.511 8.891 -0.380 19727 1736 1 3 . 1 1 124 124 ALA N N 124 126.354 126.354 128.858 -2.504 19727 1737 1 3 . 1 1 124 124 ALA HA H 124 5.150 5.150 4.768 0.382 19727 1738 1 3 . 1 1 124 124 ALA CA C 124 50.860 50.860 50.440 0.420 19727 1739 1 3 . 1 1 124 124 ALA CB C 124 24.060 24.060 21.827 2.233 19727 1740 1 3 . 1 1 124 124 ALA H H 124 9.258 9.258 9.164 0.094 19727 1741 1 3 . 1 1 125 125 LYS N N 125 115.989 115.989 124.201 -8.212 19727 1742 1 3 . 1 1 125 125 LYS HA H 125 5.760 5.760 5.070 0.690 19727 1743 1 3 . 1 1 125 125 LYS CA C 125 55.130 55.130 55.148 -0.018 19727 1744 1 3 . 1 1 125 125 LYS CB C 125 38.130 38.130 35.190 2.940 19727 1745 1 3 . 1 1 125 125 LYS H H 125 8.847 8.847 8.456 0.391 19727 1746 1 3 . 1 1 126 126 ARG N N 126 120.557 120.557 126.145 -5.588 19727 1747 1 3 . 1 1 126 126 ARG HA H 126 4.750 4.750 4.740 0.010 19727 1748 1 3 . 1 1 126 126 ARG CA C 126 56.940 56.940 55.004 1.936 19727 1749 1 3 . 1 1 126 126 ARG CB C 126 34.040 34.040 32.881 1.159 19727 1750 1 3 . 1 1 126 126 ARG H H 126 9.241 9.241 9.171 0.070 19727 1751 1 3 . 1 1 127 127 ILE N N 127 122.970 122.970 127.516 -4.546 19727 1752 1 3 . 1 1 127 127 ILE HA H 127 5.020 5.020 4.506 0.514 19727 1753 1 3 . 1 1 127 127 ILE CA C 127 61.670 61.670 61.190 0.480 19727 1754 1 3 . 1 1 127 127 ILE CB C 127 40.200 40.200 38.434 1.766 19727 1755 1 3 . 1 1 127 127 ILE H H 127 8.785 8.785 8.316 0.469 19727 1756 1 3 . 1 1 128 128 PHE N N 128 126.381 126.381 128.208 -1.827 19727 1757 1 3 . 1 1 128 128 PHE HA H 128 5.260 5.260 4.950 0.310 19727 1758 1 3 . 1 1 128 128 PHE CA C 128 56.050 56.050 56.163 -0.113 19727 1759 1 3 . 1 1 128 128 PHE CB C 128 42.730 42.730 43.449 -0.719 19727 1760 1 3 . 1 1 128 128 PHE H H 128 10.070 10.070 8.616 1.454 19727 1761 1 3 . 1 1 129 129 LYS N N 129 118.294 118.294 121.808 -3.514 19727 1762 1 3 . 1 1 129 129 LYS HA H 129 5.310 5.310 4.148 1.162 19727 1763 1 3 . 1 1 129 129 LYS CA C 129 54.740 54.740 54.088 0.652 19727 1764 1 3 . 1 1 129 129 LYS CB C 129 37.070 37.070 36.537 0.533 19727 1765 1 3 . 1 1 129 129 LYS H H 129 8.866 8.866 7.207 1.659 19727 1766 1 3 . 1 1 130 130 LYS N N 130 123.147 123.147 118.984 4.163 19727 1767 1 3 . 1 1 130 130 LYS HA H 130 4.090 4.090 4.304 -0.214 19727 1768 1 3 . 1 1 130 130 LYS CA C 130 57.790 57.790 54.196 3.594 19727 1769 1 3 . 1 1 130 130 LYS CB C 130 33.020 33.020 34.271 -1.251 19727 1770 1 3 . 1 1 130 130 LYS H H 130 9.057 9.057 8.009 1.048 19727 1771 1 4 . 1 1 2 2 PHE N N 2 113.067 113.067 120.262 -7.195 19727 1772 1 4 . 1 1 2 2 PHE HA H 2 4.440 4.440 4.797 -0.357 19727 1773 1 4 . 1 1 2 2 PHE CA C 2 59.610 59.610 58.410 1.200 19727 1774 1 4 . 1 1 2 2 PHE CB C 2 39.760 39.760 39.439 0.321 19727 1775 1 4 . 1 1 2 2 PHE H H 2 8.270 8.270 8.366 -0.096 19727 1776 1 4 . 1 1 3 3 ASP N N 3 118.589 118.589 119.171 -0.582 19727 1777 1 4 . 1 1 3 3 ASP HA H 3 4.890 4.890 4.491 0.399 19727 1778 1 4 . 1 1 3 3 ASP CA C 3 55.030 55.030 55.933 -0.903 19727 1779 1 4 . 1 1 3 3 ASP CB C 3 39.460 39.460 40.386 -0.926 19727 1780 1 4 . 1 1 3 3 ASP H H 3 7.554 7.554 8.317 -0.763 19727 1781 1 4 . 1 1 4 4 SER N N 4 120.654 120.654 118.817 1.837 19727 1782 1 4 . 1 1 4 4 SER HA H 4 4.250 4.250 4.677 -0.427 19727 1783 1 4 . 1 1 4 4 SER CA C 4 59.530 59.530 58.495 1.035 19727 1784 1 4 . 1 1 4 4 SER CB C 4 65.300 65.300 65.861 -0.561 19727 1785 1 4 . 1 1 4 4 SER H H 4 8.250 8.250 7.997 0.253 19727 1786 1 4 . 1 1 5 5 THR N N 5 115.812 115.812 119.900 -4.088 19727 1787 1 4 . 1 1 5 5 THR HA H 5 5.160 5.160 4.566 0.594 19727 1788 1 4 . 1 1 5 5 THR CA C 5 63.480 63.480 64.169 -0.689 19727 1789 1 4 . 1 1 5 5 THR CB C 5 69.630 69.630 69.468 0.162 19727 1790 1 4 . 1 1 5 5 THR H H 5 8.041 8.041 8.504 -0.463 19727 1791 1 4 . 1 1 6 6 TRP N N 6 128.256 128.256 128.283 -0.027 19727 1792 1 4 . 1 1 6 6 TRP HA H 6 5.240 5.240 5.420 -0.180 19727 1793 1 4 . 1 1 6 6 TRP CA C 6 55.770 55.770 55.151 0.619 19727 1794 1 4 . 1 1 6 6 TRP CB C 6 32.800 32.800 31.181 1.619 19727 1795 1 4 . 1 1 6 6 TRP H H 6 9.514 9.514 9.299 0.215 19727 1796 1 4 . 1 1 7 7 LYS N N 7 122.895 122.895 123.719 -0.824 19727 1797 1 4 . 1 1 7 7 LYS HA H 7 5.490 5.490 5.019 0.471 19727 1798 1 4 . 1 1 7 7 LYS CA C 7 54.680 54.680 54.976 -0.296 19727 1799 1 4 . 1 1 7 7 LYS CB C 7 35.840 35.840 35.018 0.822 19727 1800 1 4 . 1 1 7 7 LYS H H 7 9.954 9.954 8.736 1.218 19727 1801 1 4 . 1 1 8 8 VAL N N 8 128.078 128.078 125.472 2.606 19727 1802 1 4 . 1 1 8 8 VAL HA H 8 3.280 3.280 4.083 -0.803 19727 1803 1 4 . 1 1 8 8 VAL CA C 8 64.810 64.810 63.435 1.375 19727 1804 1 4 . 1 1 8 8 VAL CB C 8 31.790 31.790 32.836 -1.046 19727 1805 1 4 . 1 1 8 8 VAL H H 8 8.780 8.780 8.001 0.779 19727 1806 1 4 . 1 1 9 9 ASP N N 9 127.565 127.565 127.617 -0.052 19727 1807 1 4 . 1 1 9 9 ASP HA H 9 4.930 4.930 4.594 0.336 19727 1808 1 4 . 1 1 9 9 ASP CA C 9 55.750 55.750 56.436 -0.686 19727 1809 1 4 . 1 1 9 9 ASP CB C 9 46.830 46.830 42.820 4.010 19727 1810 1 4 . 1 1 9 9 ASP H H 9 9.712 9.712 8.247 1.465 19727 1811 1 4 . 1 1 10 10 ARG N N 10 112.578 112.578 115.034 -2.456 19727 1812 1 4 . 1 1 10 10 ARG HA H 10 4.740 4.740 4.522 0.218 19727 1813 1 4 . 1 1 10 10 ARG CA C 10 55.200 55.200 54.498 0.702 19727 1814 1 4 . 1 1 10 10 ARG CB C 10 31.470 31.470 32.771 -1.301 19727 1815 1 4 . 1 1 10 10 ARG H H 10 7.823 7.823 7.568 0.255 19727 1816 1 4 . 1 1 11 11 SER N N 11 113.123 113.123 114.061 -0.938 19727 1817 1 4 . 1 1 11 11 SER HA H 11 5.270 5.270 4.657 0.613 19727 1818 1 4 . 1 1 11 11 SER CA C 11 57.490 57.490 57.145 0.345 19727 1819 1 4 . 1 1 11 11 SER CB C 11 66.620 66.620 66.117 0.503 19727 1820 1 4 . 1 1 11 11 SER H H 11 8.602 8.602 8.086 0.516 19727 1821 1 4 . 1 1 12 12 GLU N N 12 121.867 121.867 120.642 1.225 19727 1822 1 4 . 1 1 12 12 GLU HA H 12 4.760 4.760 4.551 0.209 19727 1823 1 4 . 1 1 12 12 GLU CA C 12 55.420 55.420 55.904 -0.484 19727 1824 1 4 . 1 1 12 12 GLU CB C 12 33.060 33.060 32.671 0.389 19727 1825 1 4 . 1 1 12 12 GLU H H 12 9.447 9.447 9.078 0.369 19727 1826 1 4 . 1 1 13 13 ASN N N 13 121.822 121.822 121.513 0.309 19727 1827 1 4 . 1 1 13 13 ASN HA H 13 4.720 4.720 4.424 0.296 19727 1828 1 4 . 1 1 13 13 ASN CA C 13 54.200 54.200 54.876 -0.675 19727 1829 1 4 . 1 1 13 13 ASN CB C 13 39.870 39.870 37.596 2.275 19727 1830 1 4 . 1 1 13 13 ASN H H 13 9.350 9.350 9.177 0.173 19727 1831 1 4 . 1 1 14 14 TYR N N 14 120.082 120.082 119.173 0.909 19727 1832 1 4 . 1 1 14 14 TYR HA H 14 4.290 4.290 3.846 0.444 19727 1833 1 4 . 1 1 14 14 TYR CA C 14 60.700 60.700 62.187 -1.487 19727 1834 1 4 . 1 1 14 14 TYR CB C 14 39.620 39.620 38.249 1.371 19727 1835 1 4 . 1 1 14 14 TYR H H 14 8.357 8.357 8.113 0.244 19727 1836 1 4 . 1 1 15 15 ASP N N 15 118.245 118.245 118.503 -0.258 19727 1837 1 4 . 1 1 15 15 ASP HA H 15 4.060 4.060 4.423 -0.363 19727 1838 1 4 . 1 1 15 15 ASP CA C 15 58.620 58.620 58.051 0.569 19727 1839 1 4 . 1 1 15 15 ASP CB C 15 41.140 41.140 40.116 1.024 19727 1840 1 4 . 1 1 15 15 ASP H H 15 8.562 8.562 8.776 -0.214 19727 1841 1 4 . 1 1 16 16 LYS N N 16 118.806 118.806 119.800 -0.994 19727 1842 1 4 . 1 1 16 16 LYS HA H 16 4.050 4.050 4.096 -0.046 19727 1843 1 4 . 1 1 16 16 LYS CA C 16 58.610 58.610 59.737 -1.127 19727 1844 1 4 . 1 1 16 16 LYS CB C 16 31.550 31.550 32.344 -0.794 19727 1845 1 4 . 1 1 16 16 LYS H H 16 7.801 7.801 7.491 0.310 19727 1846 1 4 . 1 1 17 17 PHE N N 17 120.733 120.733 117.311 3.422 19727 1847 1 4 . 1 1 17 17 PHE HA H 17 4.020 4.020 4.307 -0.287 19727 1848 1 4 . 1 1 17 17 PHE CA C 17 61.620 61.620 59.782 1.838 19727 1849 1 4 . 1 1 17 17 PHE CB C 17 40.250 40.250 38.085 2.165 19727 1850 1 4 . 1 1 17 17 PHE H H 17 7.543 7.543 7.843 -0.300 19727 1851 1 4 . 1 1 18 18 MET N N 18 117.590 117.590 118.200 -0.610 19727 1852 1 4 . 1 1 18 18 MET HA H 18 3.210 3.210 4.092 -0.882 19727 1853 1 4 . 1 1 18 18 MET CA C 18 59.860 59.860 58.825 1.036 19727 1854 1 4 . 1 1 18 18 MET CB C 18 34.110 34.110 31.752 2.358 19727 1855 1 4 . 1 1 18 18 MET H H 18 8.063 8.063 7.745 0.318 19727 1856 1 4 . 1 1 19 19 GLU N N 19 120.480 120.480 119.395 1.085 19727 1857 1 4 . 1 1 19 19 GLU HA H 19 3.830 3.830 4.267 -0.437 19727 1858 1 4 . 1 1 19 19 GLU CA C 19 60.040 60.040 58.416 1.624 19727 1859 1 4 . 1 1 19 19 GLU CB C 19 29.790 29.790 29.169 0.621 19727 1860 1 4 . 1 1 19 19 GLU H H 19 8.430 8.430 8.024 0.406 19727 1861 1 4 . 1 1 20 20 LYS N N 20 122.631 122.631 120.725 1.906 19727 1862 1 4 . 1 1 20 20 LYS HA H 20 4.070 4.070 4.190 -0.120 19727 1863 1 4 . 1 1 20 20 LYS CA C 20 57.400 57.400 58.491 -1.091 19727 1864 1 4 . 1 1 20 20 LYS CB C 20 31.940 31.940 32.715 -0.775 19727 1865 1 4 . 1 1 20 20 LYS H H 20 8.080 8.080 8.053 0.027 19727 1866 1 4 . 1 1 21 21 MET N N 21 114.794 114.794 115.836 -1.042 19727 1867 1 4 . 1 1 21 21 MET HA H 21 3.810 3.810 4.426 -0.616 19727 1868 1 4 . 1 1 21 21 MET CA C 21 56.310 56.310 54.986 1.324 19727 1869 1 4 . 1 1 21 21 MET CB C 21 32.729 32.729 33.945 -1.216 19727 1870 1 4 . 1 1 21 21 MET H H 21 7.554 7.554 8.281 -0.727 19727 1871 1 4 . 1 1 22 22 GLY N N 22 107.423 107.423 108.389 -0.966 19727 1872 1 4 . 1 1 22 22 GLY CA C 22 45.310 45.310 45.424 -0.114 19727 1873 1 4 . 1 1 22 22 GLY H H 22 7.718 7.718 7.460 0.258 19727 1874 1 4 . 1 1 23 23 VAL N N 23 121.380 121.380 120.809 0.571 19727 1875 1 4 . 1 1 23 23 VAL HA H 23 3.770 3.770 4.104 -0.334 19727 1876 1 4 . 1 1 23 23 VAL CA C 23 62.650 62.650 61.042 1.608 19727 1877 1 4 . 1 1 23 23 VAL CB C 23 32.060 32.060 32.344 -0.284 19727 1878 1 4 . 1 1 23 23 VAL H H 23 7.491 7.491 7.744 -0.253 19727 1879 1 4 . 1 1 24 24 ASN N N 24 127.861 127.861 125.623 2.238 19727 1880 1 4 . 1 1 24 24 ASN HA H 24 4.430 4.430 4.505 -0.075 19727 1881 1 4 . 1 1 24 24 ASN CA C 24 54.090 54.090 53.272 0.818 19727 1882 1 4 . 1 1 24 24 ASN CB C 24 39.330 39.330 39.157 0.173 19727 1883 1 4 . 1 1 24 24 ASN H H 24 8.780 8.780 8.536 0.244 19727 1884 1 4 . 1 1 25 25 ILE N N 25 121.002 121.002 120.507 0.495 19727 1885 1 4 . 1 1 25 25 ILE HA H 25 3.660 3.660 3.960 -0.300 19727 1886 1 4 . 1 1 25 25 ILE CA C 25 65.350 65.350 62.515 2.835 19727 1887 1 4 . 1 1 25 25 ILE CB C 25 38.910 38.910 37.948 0.962 19727 1888 1 4 . 1 1 25 25 ILE H H 25 8.494 8.494 8.437 0.057 19727 1889 1 4 . 1 1 26 26 VAL N N 26 121.014 121.014 119.219 1.795 19727 1890 1 4 . 1 1 26 26 VAL HA H 26 3.680 3.680 3.685 -0.005 19727 1891 1 4 . 1 1 26 26 VAL CA C 26 66.080 66.080 66.567 -0.486 19727 1892 1 4 . 1 1 26 26 VAL CB C 26 31.930 31.930 31.064 0.866 19727 1893 1 4 . 1 1 26 26 VAL H H 26 7.569 7.569 8.163 -0.594 19727 1894 1 4 . 1 1 27 27 LYS N N 27 118.674 118.674 117.320 1.354 19727 1895 1 4 . 1 1 27 27 LYS HA H 27 4.140 4.140 4.221 -0.081 19727 1896 1 4 . 1 1 27 27 LYS CA C 27 58.240 58.240 57.925 0.315 19727 1897 1 4 . 1 1 27 27 LYS CB C 27 32.610 32.610 32.632 -0.022 19727 1898 1 4 . 1 1 27 27 LYS H H 27 7.729 7.729 7.669 0.060 19727 1899 1 4 . 1 1 28 28 ARG N N 28 119.667 119.667 120.103 -0.436 19727 1900 1 4 . 1 1 28 28 ARG HA H 28 3.740 3.740 4.117 -0.377 19727 1901 1 4 . 1 1 28 28 ARG CA C 28 60.040 60.040 58.310 1.730 19727 1902 1 4 . 1 1 28 28 ARG CB C 28 30.760 30.760 29.732 1.028 19727 1903 1 4 . 1 1 28 28 ARG H H 28 8.418 8.418 7.730 0.688 19727 1904 1 4 . 1 1 29 29 LYS N N 29 118.502 118.502 118.767 -0.265 19727 1905 1 4 . 1 1 29 29 LYS HA H 29 4.040 4.040 3.949 0.091 19727 1906 1 4 . 1 1 29 29 LYS CA C 29 59.460 59.460 59.890 -0.430 19727 1907 1 4 . 1 1 29 29 LYS CB C 29 32.440 32.440 32.270 0.170 19727 1908 1 4 . 1 1 29 29 LYS H H 29 7.611 7.611 8.422 -0.811 19727 1909 1 4 . 1 1 30 30 LEU N N 30 119.200 119.200 114.837 4.363 19727 1910 1 4 . 1 1 30 30 LEU HA H 30 4.170 4.170 4.498 -0.328 19727 1911 1 4 . 1 1 30 30 LEU CA C 30 57.560 57.560 55.057 2.503 19727 1912 1 4 . 1 1 30 30 LEU CB C 30 42.320 42.320 42.787 -0.467 19727 1913 1 4 . 1 1 30 30 LEU H H 30 7.292 7.292 7.453 -0.161 19727 1914 1 4 . 1 1 31 31 ALA N N 31 120.380 120.380 120.998 -0.618 19727 1915 1 4 . 1 1 31 31 ALA HA H 31 4.080 4.080 4.208 -0.128 19727 1916 1 4 . 1 1 31 31 ALA CA C 31 54.370 54.370 52.889 1.482 19727 1917 1 4 . 1 1 31 31 ALA CB C 31 19.300 19.300 18.530 0.770 19727 1918 1 4 . 1 1 31 31 ALA H H 31 8.257 8.257 7.382 0.875 19727 1919 1 4 . 1 1 32 32 ALA N N 32 117.152 117.152 120.370 -3.218 19727 1920 1 4 . 1 1 32 32 ALA HA H 32 4.130 4.130 3.184 0.946 19727 1921 1 4 . 1 1 32 32 ALA CA C 32 54.060 54.060 54.332 -0.272 19727 1922 1 4 . 1 1 32 32 ALA CB C 32 18.710 18.710 19.067 -0.357 19727 1923 1 4 . 1 1 32 32 ALA H H 32 7.320 7.320 7.980 -0.660 19727 1924 1 4 . 1 1 33 33 HIS N N 33 115.869 115.869 109.300 6.569 19727 1925 1 4 . 1 1 33 33 HIS HA H 33 5.000 5.000 4.332 0.668 19727 1926 1 4 . 1 1 33 33 HIS CA C 33 54.200 54.200 55.987 -1.787 19727 1927 1 4 . 1 1 33 33 HIS CB C 33 28.310 28.310 28.724 -0.414 19727 1928 1 4 . 1 1 33 33 HIS H H 33 7.675 7.675 7.812 -0.137 19727 1929 1 4 . 1 1 34 34 ASP N N 34 117.892 117.892 123.255 -5.363 19727 1930 1 4 . 1 1 34 34 ASP HA H 34 4.200 4.200 4.440 -0.240 19727 1931 1 4 . 1 1 34 34 ASP CA C 34 54.450 54.450 57.272 -2.822 19727 1932 1 4 . 1 1 34 34 ASP CB C 34 40.740 40.740 40.584 0.156 19727 1933 1 4 . 1 1 34 34 ASP H H 34 7.430 7.430 8.069 -0.639 19727 1934 1 4 . 1 1 35 35 ASN N N 35 118.996 118.996 115.714 3.282 19727 1935 1 4 . 1 1 35 35 ASN HA H 35 4.310 4.310 4.863 -0.553 19727 1936 1 4 . 1 1 35 35 ASN CA C 35 53.650 53.650 52.419 1.231 19727 1937 1 4 . 1 1 35 35 ASN CB C 35 37.760 37.760 38.579 -0.819 19727 1938 1 4 . 1 1 35 35 ASN H H 35 9.086 9.086 8.438 0.648 19727 1939 1 4 . 1 1 36 36 LEU N N 36 118.708 118.708 123.546 -4.838 19727 1940 1 4 . 1 1 36 36 LEU CA C 36 57.330 57.330 54.955 2.375 19727 1941 1 4 . 1 1 36 36 LEU CB C 36 42.810 42.810 42.853 -0.043 19727 1942 1 4 . 1 1 36 36 LEU H H 36 6.914 6.914 7.019 -0.105 19727 1943 1 4 . 1 1 37 37 LYS N N 37 126.148 126.148 128.647 -2.499 19727 1944 1 4 . 1 1 37 37 LYS HA H 37 5.650 5.650 4.938 0.712 19727 1945 1 4 . 1 1 37 37 LYS CA C 37 55.170 55.170 54.440 0.730 19727 1946 1 4 . 1 1 37 37 LYS CB C 37 36.200 36.200 33.595 2.605 19727 1947 1 4 . 1 1 37 37 LYS H H 37 9.246 9.246 8.104 1.142 19727 1948 1 4 . 1 1 38 38 LEU N N 38 122.300 122.300 128.967 -6.667 19727 1949 1 4 . 1 1 38 38 LEU HA H 38 5.550 5.550 4.890 0.660 19727 1950 1 4 . 1 1 38 38 LEU CA C 38 52.870 52.870 53.775 -0.905 19727 1951 1 4 . 1 1 38 38 LEU CB C 38 46.720 46.720 45.604 1.116 19727 1952 1 4 . 1 1 38 38 LEU H H 38 9.324 9.324 9.299 0.026 19727 1953 1 4 . 1 1 39 39 THR N N 39 120.586 120.586 121.130 -0.544 19727 1954 1 4 . 1 1 39 39 THR HA H 39 5.280 5.280 4.943 0.337 19727 1955 1 4 . 1 1 39 39 THR CA C 39 62.950 62.950 61.285 1.665 19727 1956 1 4 . 1 1 39 39 THR CB C 39 70.590 70.590 71.331 -0.741 19727 1957 1 4 . 1 1 39 39 THR H H 39 9.191 9.191 7.657 1.534 19727 1958 1 4 . 1 1 40 40 ILE N N 40 128.371 128.371 123.581 4.790 19727 1959 1 4 . 1 1 40 40 ILE HA H 40 4.860 4.860 4.493 0.367 19727 1960 1 4 . 1 1 40 40 ILE CA C 40 61.570 61.570 60.156 1.414 19727 1961 1 4 . 1 1 40 40 ILE CB C 40 40.060 40.060 40.992 -0.932 19727 1962 1 4 . 1 1 40 40 ILE H H 40 8.531 8.531 8.698 -0.167 19727 1963 1 4 . 1 1 41 41 THR N N 41 120.285 120.285 121.345 -1.060 19727 1964 1 4 . 1 1 41 41 THR HA H 41 4.510 4.510 4.872 -0.362 19727 1965 1 4 . 1 1 41 41 THR CA C 41 60.930 60.930 60.298 0.632 19727 1966 1 4 . 1 1 41 41 THR CB C 41 71.450 71.450 71.384 0.066 19727 1967 1 4 . 1 1 41 41 THR H H 41 8.624 8.624 7.915 0.709 19727 1968 1 4 . 1 1 42 42 GLN N N 42 126.369 126.369 120.809 5.560 19727 1969 1 4 . 1 1 42 42 GLN CA C 42 54.400 54.400 55.606 -1.206 19727 1970 1 4 . 1 1 42 42 GLN CB C 42 30.560 30.560 31.265 -0.705 19727 1971 1 4 . 1 1 42 42 GLN H H 42 9.050 9.050 8.357 0.693 19727 1972 1 4 . 1 1 43 43 GLU N N 43 128.036 128.036 123.978 4.058 19727 1973 1 4 . 1 1 43 43 GLU HA H 43 4.400 4.400 4.469 -0.069 19727 1974 1 4 . 1 1 43 43 GLU CA C 43 55.020 55.020 56.260 -1.240 19727 1975 1 4 . 1 1 43 43 GLU CB C 43 31.630 31.630 31.822 -0.192 19727 1976 1 4 . 1 1 43 43 GLU H H 43 8.807 8.807 8.808 -0.001 19727 1977 1 4 . 1 1 44 44 GLY N N 44 117.000 117.000 114.120 2.880 19727 1978 1 4 . 1 1 44 44 GLY CA C 44 47.460 47.460 45.914 1.546 19727 1979 1 4 . 1 1 44 44 GLY H H 44 9.060 9.060 8.390 0.670 19727 1980 1 4 . 1 1 45 45 ASN N N 45 124.910 124.910 119.528 5.382 19727 1981 1 4 . 1 1 45 45 ASN HA H 45 4.830 4.830 4.683 0.147 19727 1982 1 4 . 1 1 45 45 ASN CA C 45 53.040 53.040 53.165 -0.125 19727 1983 1 4 . 1 1 45 45 ASN CB C 45 39.050 39.050 38.482 0.568 19727 1984 1 4 . 1 1 45 45 ASN H H 45 8.769 8.769 8.575 0.194 19727 1985 1 4 . 1 1 46 46 LYS N N 46 120.293 120.293 119.893 0.400 19727 1986 1 4 . 1 1 46 46 LYS HA H 46 4.890 4.890 4.853 0.037 19727 1987 1 4 . 1 1 46 46 LYS CA C 46 55.760 55.760 55.422 0.338 19727 1988 1 4 . 1 1 46 46 LYS CB C 46 34.610 34.610 35.158 -0.548 19727 1989 1 4 . 1 1 46 46 LYS H H 46 7.873 7.873 7.774 0.099 19727 1990 1 4 . 1 1 47 47 PHE N N 47 127.531 127.531 120.138 7.393 19727 1991 1 4 . 1 1 47 47 PHE HA H 47 4.700 4.700 4.982 -0.282 19727 1992 1 4 . 1 1 47 47 PHE CA C 47 56.450 56.450 53.757 2.693 19727 1993 1 4 . 1 1 47 47 PHE CB C 47 43.050 43.050 42.498 0.552 19727 1994 1 4 . 1 1 47 47 PHE H H 47 9.130 9.130 8.973 0.157 19727 1995 1 4 . 1 1 48 48 THR N N 48 115.162 115.162 117.234 -2.072 19727 1996 1 4 . 1 1 48 48 THR HA H 48 4.770 4.770 4.556 0.214 19727 1997 1 4 . 1 1 48 48 THR CA C 48 62.090 62.090 61.934 0.156 19727 1998 1 4 . 1 1 48 48 THR CB C 48 70.280 70.280 70.173 0.107 19727 1999 1 4 . 1 1 48 48 THR H H 48 8.318 8.318 8.299 0.019 19727 2000 1 4 . 1 1 49 49 VAL N N 49 127.272 127.272 127.554 -0.282 19727 2001 1 4 . 1 1 49 49 VAL HA H 49 4.840 4.840 4.438 0.402 19727 2002 1 4 . 1 1 49 49 VAL CA C 49 61.110 61.110 61.443 -0.333 19727 2003 1 4 . 1 1 49 49 VAL CB C 49 34.330 34.330 32.398 1.932 19727 2004 1 4 . 1 1 49 49 VAL H H 49 9.580 9.580 9.073 0.507 19727 2005 1 4 . 1 1 50 50 LYS N N 50 127.439 127.439 129.030 -1.591 19727 2006 1 4 . 1 1 50 50 LYS HA H 50 4.993 4.993 4.561 0.432 19727 2007 1 4 . 1 1 50 50 LYS CA C 50 55.500 55.500 55.489 0.011 19727 2008 1 4 . 1 1 50 50 LYS CB C 50 33.320 33.320 33.925 -0.605 19727 2009 1 4 . 1 1 50 50 LYS H H 50 9.175 9.175 8.630 0.545 19727 2010 1 4 . 1 1 51 51 GLU N N 51 128.140 128.140 125.931 2.209 19727 2011 1 4 . 1 1 51 51 GLU HA H 51 5.090 5.090 5.282 -0.192 19727 2012 1 4 . 1 1 51 51 GLU CA C 51 55.160 55.160 55.254 -0.094 19727 2013 1 4 . 1 1 51 51 GLU CB C 51 31.450 31.450 33.340 -1.890 19727 2014 1 4 . 1 1 51 51 GLU H H 51 9.173 9.173 8.847 0.326 19727 2015 1 4 . 1 1 52 52 SER N N 52 120.997 120.997 118.832 2.165 19727 2016 1 4 . 1 1 52 52 SER CA C 52 56.630 56.630 57.736 -1.106 19727 2017 1 4 . 1 1 52 52 SER CB C 52 65.290 65.290 66.753 -1.463 19727 2018 1 4 . 1 1 52 52 SER H H 52 9.015 9.015 8.300 0.715 19727 2019 1 4 . 1 1 53 53 SER N N 53 117.567 117.567 117.958 -0.391 19727 2020 1 4 . 1 1 53 53 SER CA C 53 56.780 56.780 56.828 -0.048 19727 2021 1 4 . 1 1 53 53 SER CB C 53 68.320 68.320 65.561 2.759 19727 2022 1 4 . 1 1 53 53 SER H H 53 9.013 9.013 8.126 0.887 19727 2023 1 4 . 1 1 54 54 ALA N N 54 119.830 119.830 123.502 -3.672 19727 2024 1 4 . 1 1 54 54 ALA HA H 54 4.030 4.030 3.907 0.123 19727 2025 1 4 . 1 1 54 54 ALA CA C 54 54.030 54.030 54.568 -0.538 19727 2026 1 4 . 1 1 54 54 ALA CB C 54 18.380 18.380 18.500 -0.120 19727 2027 1 4 . 1 1 54 54 ALA H H 54 9.009 9.009 8.370 0.639 19727 2028 1 4 . 1 1 55 55 PHE N N 55 112.640 112.640 116.582 -3.942 19727 2029 1 4 . 1 1 55 55 PHE H H 55 8.050 8.050 7.970 0.080 19727 2030 1 4 . 1 1 57 57 ASN N N 57 119.170 119.170 116.080 3.090 19727 2031 1 4 . 1 1 57 57 ASN HA H 57 5.840 5.840 4.908 0.932 19727 2032 1 4 . 1 1 57 57 ASN CA C 57 53.190 53.190 52.607 0.583 19727 2033 1 4 . 1 1 57 57 ASN CB C 57 40.990 40.990 40.952 0.038 19727 2034 1 4 . 1 1 57 57 ASN H H 57 8.487 8.487 8.257 0.230 19727 2035 1 4 . 1 1 58 58 ILE N N 58 117.653 117.653 117.772 -0.119 19727 2036 1 4 . 1 1 58 58 ILE HA H 58 4.860 4.860 4.501 0.359 19727 2037 1 4 . 1 1 58 58 ILE CA C 58 60.150 60.150 60.480 -0.329 19727 2038 1 4 . 1 1 58 58 ILE CB C 58 43.590 43.590 42.474 1.116 19727 2039 1 4 . 1 1 58 58 ILE H H 58 8.803 8.803 7.927 0.876 19727 2040 1 4 . 1 1 59 59 GLU N N 59 123.376 123.376 121.786 1.590 19727 2041 1 4 . 1 1 59 59 GLU HA H 59 5.260 5.260 4.752 0.508 19727 2042 1 4 . 1 1 59 59 GLU CA C 59 60.170 60.170 55.646 4.524 19727 2043 1 4 . 1 1 59 59 GLU CB C 59 32.900 32.900 32.422 0.478 19727 2044 1 4 . 1 1 59 59 GLU H H 59 8.519 8.519 8.249 0.270 19727 2045 1 4 . 1 1 60 60 VAL N N 60 127.157 127.157 118.614 8.543 19727 2046 1 4 . 1 1 60 60 VAL HA H 60 4.460 4.460 4.296 0.164 19727 2047 1 4 . 1 1 60 60 VAL CA C 60 61.730 61.730 61.659 0.071 19727 2048 1 4 . 1 1 60 60 VAL CB C 60 35.030 35.030 36.218 -1.188 19727 2049 1 4 . 1 1 60 60 VAL H H 60 9.227 9.227 8.858 0.369 19727 2050 1 4 . 1 1 61 61 VAL N N 61 125.109 125.109 125.392 -0.283 19727 2051 1 4 . 1 1 61 61 VAL HA H 61 5.160 5.160 4.301 0.859 19727 2052 1 4 . 1 1 61 61 VAL CA C 61 60.350 60.350 62.610 -2.260 19727 2053 1 4 . 1 1 61 61 VAL CB C 61 34.600 34.600 32.717 1.883 19727 2054 1 4 . 1 1 61 61 VAL H H 61 8.179 8.179 8.217 -0.038 19727 2055 1 4 . 1 1 62 62 PHE N N 62 121.713 121.713 123.185 -1.472 19727 2056 1 4 . 1 1 62 62 PHE HA H 62 4.840 4.840 4.629 0.211 19727 2057 1 4 . 1 1 62 62 PHE CA C 62 55.320 55.320 56.128 -0.808 19727 2058 1 4 . 1 1 62 62 PHE CB C 62 41.060 41.060 43.167 -2.107 19727 2059 1 4 . 1 1 62 62 PHE H H 62 8.432 8.432 9.078 -0.646 19727 2060 1 4 . 1 1 63 63 GLU N N 63 119.775 119.775 123.527 -3.752 19727 2061 1 4 . 1 1 63 63 GLU HA H 63 5.330 5.330 4.783 0.547 19727 2062 1 4 . 1 1 63 63 GLU CA C 63 53.700 53.700 55.175 -1.475 19727 2063 1 4 . 1 1 63 63 GLU CB C 63 32.720 32.720 33.322 -0.602 19727 2064 1 4 . 1 1 63 63 GLU H H 63 9.386 9.386 8.631 0.755 19727 2065 1 4 . 1 1 64 64 LEU N N 64 124.568 124.568 126.843 -2.275 19727 2066 1 4 . 1 1 64 64 LEU HA H 64 4.530 4.530 4.198 0.332 19727 2067 1 4 . 1 1 64 64 LEU CA C 64 56.770 56.770 55.970 0.800 19727 2068 1 4 . 1 1 64 64 LEU CB C 64 41.390 41.390 41.001 0.389 19727 2069 1 4 . 1 1 64 64 LEU H H 64 8.834 8.834 8.844 -0.010 19727 2070 1 4 . 1 1 65 65 GLY N N 65 108.336 108.336 113.336 -5.000 19727 2071 1 4 . 1 1 65 65 GLY CA C 65 46.210 46.210 44.927 1.283 19727 2072 1 4 . 1 1 65 65 GLY H H 65 9.299 9.299 8.610 0.689 19727 2073 1 4 . 1 1 66 66 VAL N N 66 121.972 121.972 118.097 3.875 19727 2074 1 4 . 1 1 66 66 VAL HA H 66 4.380 4.380 4.440 -0.060 19727 2075 1 4 . 1 1 66 66 VAL CA C 66 62.660 62.660 60.524 2.136 19727 2076 1 4 . 1 1 66 66 VAL CB C 66 32.900 32.900 35.274 -2.374 19727 2077 1 4 . 1 1 66 66 VAL H H 66 7.905 7.905 7.682 0.223 19727 2078 1 4 . 1 1 67 67 THR N N 67 129.168 129.168 117.195 11.973 19727 2079 1 4 . 1 1 67 67 THR HA H 67 4.390 4.390 4.605 -0.215 19727 2080 1 4 . 1 1 67 67 THR CA C 67 64.580 64.580 63.163 1.417 19727 2081 1 4 . 1 1 67 67 THR CB C 67 69.140 69.140 69.618 -0.478 19727 2082 1 4 . 1 1 67 67 THR H H 67 8.784 8.784 8.258 0.526 19727 2083 1 4 . 1 1 68 68 PHE N N 68 126.387 126.387 125.541 0.846 19727 2084 1 4 . 1 1 68 68 PHE HA H 68 5.120 5.120 4.639 0.481 19727 2085 1 4 . 1 1 68 68 PHE CA C 68 56.240 56.240 57.088 -0.848 19727 2086 1 4 . 1 1 68 68 PHE CB C 68 41.980 41.980 40.720 1.260 19727 2087 1 4 . 1 1 68 68 PHE H H 68 9.687 9.687 8.763 0.924 19727 2088 1 4 . 1 1 69 69 ASN N N 69 116.298 116.298 122.330 -6.032 19727 2089 1 4 . 1 1 69 69 ASN HA H 69 5.340 5.340 4.911 0.429 19727 2090 1 4 . 1 1 69 69 ASN CA C 69 51.630 51.630 52.771 -1.141 19727 2091 1 4 . 1 1 69 69 ASN CB C 69 40.640 40.640 40.789 -0.150 19727 2092 1 4 . 1 1 69 69 ASN H H 69 8.370 8.370 8.328 0.042 19727 2093 1 4 . 1 1 70 70 TYR N N 70 120.913 120.913 124.092 -3.179 19727 2094 1 4 . 1 1 70 70 TYR H H 70 8.655 8.655 8.269 0.386 19727 2095 1 4 . 1 1 73 73 ALA HA H 73 3.760 3.760 4.036 -0.276 19727 2096 1 4 . 1 1 73 73 ALA CA C 73 53.600 53.600 54.417 -0.817 19727 2097 1 4 . 1 1 73 73 ALA CB C 73 17.960 17.960 18.766 -0.806 19727 2098 1 4 . 1 1 74 74 ASP N N 74 113.641 113.641 118.201 -4.560 19727 2099 1 4 . 1 1 74 74 ASP CA C 74 52.960 52.960 53.821 -0.861 19727 2100 1 4 . 1 1 74 74 ASP CB C 74 39.210 39.210 40.868 -1.658 19727 2101 1 4 . 1 1 74 74 ASP H H 74 8.575 8.575 8.077 0.498 19727 2102 1 4 . 1 1 75 75 GLY N N 75 107.874 107.874 108.437 -0.563 19727 2103 1 4 . 1 1 75 75 GLY CA C 75 44.800 44.800 46.236 -1.436 19727 2104 1 4 . 1 1 75 75 GLY H H 75 7.745 7.745 8.275 -0.530 19727 2105 1 4 . 1 1 76 76 THR N N 76 119.192 119.192 115.088 4.104 19727 2106 1 4 . 1 1 76 76 THR CA C 76 64.980 64.980 61.944 3.037 19727 2107 1 4 . 1 1 76 76 THR CB C 76 68.240 68.240 70.318 -2.078 19727 2108 1 4 . 1 1 76 76 THR H H 76 7.724 7.724 7.620 0.104 19727 2109 1 4 . 1 1 77 77 GLU N N 77 128.678 128.678 118.428 10.250 19727 2110 1 4 . 1 1 77 77 GLU CA C 77 56.450 56.450 57.020 -0.570 19727 2111 1 4 . 1 1 77 77 GLU CB C 77 31.500 31.500 27.772 3.728 19727 2112 1 4 . 1 1 77 77 GLU H H 77 8.468 8.468 8.034 0.434 19727 2113 1 4 . 1 1 78 78 LEU N N 78 124.431 124.431 123.284 1.147 19727 2114 1 4 . 1 1 78 78 LEU HA H 78 5.130 5.130 4.897 0.233 19727 2115 1 4 . 1 1 78 78 LEU CA C 78 53.230 53.230 54.139 -0.909 19727 2116 1 4 . 1 1 78 78 LEU CB C 78 45.400 45.400 45.814 -0.414 19727 2117 1 4 . 1 1 78 78 LEU H H 78 8.875 8.875 7.574 1.301 19727 2118 1 4 . 1 1 79 79 ARG HA H 79 5.390 5.390 5.309 0.081 19727 2119 1 4 . 1 1 79 79 ARG CA C 79 54.560 54.560 54.867 -0.307 19727 2120 1 4 . 1 1 79 79 ARG CB C 79 33.860 33.860 33.347 0.513 19727 2121 1 4 . 1 1 80 80 GLY N N 80 115.450 115.450 113.331 2.119 19727 2122 1 4 . 1 1 80 80 GLY CA C 80 46.730 46.730 45.430 1.300 19727 2123 1 4 . 1 1 80 80 GLY H H 80 9.026 9.026 8.308 0.718 19727 2124 1 4 . 1 1 81 81 THR N N 81 106.379 106.379 111.980 -5.601 19727 2125 1 4 . 1 1 81 81 THR HA H 81 4.680 4.680 5.261 -0.581 19727 2126 1 4 . 1 1 81 81 THR CA C 81 59.010 59.010 60.957 -1.947 19727 2127 1 4 . 1 1 81 81 THR CB C 81 73.140 73.140 71.490 1.650 19727 2128 1 4 . 1 1 81 81 THR H H 81 6.937 6.937 8.045 -1.108 19727 2129 1 4 . 1 1 82 82 TRP N N 82 120.025 120.025 120.989 -0.964 19727 2130 1 4 . 1 1 82 82 TRP HA H 82 5.350 5.350 5.109 0.241 19727 2131 1 4 . 1 1 82 82 TRP CA C 82 56.400 56.400 57.154 -0.754 19727 2132 1 4 . 1 1 82 82 TRP CB C 82 33.630 33.630 32.314 1.316 19727 2133 1 4 . 1 1 82 82 TRP H H 82 9.126 9.126 8.131 0.995 19727 2134 1 4 . 1 1 83 83 SER N N 83 115.180 115.180 119.671 -4.491 19727 2135 1 4 . 1 1 83 83 SER HA H 83 5.490 5.490 4.554 0.936 19727 2136 1 4 . 1 1 83 83 SER CA C 83 57.080 57.080 55.869 1.211 19727 2137 1 4 . 1 1 83 83 SER CB C 83 65.680 65.680 65.864 -0.184 19727 2138 1 4 . 1 1 83 83 SER H H 83 9.045 9.045 8.383 0.662 19727 2139 1 4 . 1 1 84 84 LEU N N 84 125.420 125.420 124.972 0.448 19727 2140 1 4 . 1 1 84 84 LEU HA H 84 5.200 5.200 4.220 0.980 19727 2141 1 4 . 1 1 84 84 LEU CA C 84 54.600 54.600 54.094 0.505 19727 2142 1 4 . 1 1 84 84 LEU CB C 84 45.130 45.130 44.224 0.906 19727 2143 1 4 . 1 1 84 84 LEU H H 84 8.889 8.889 8.415 0.474 19727 2144 1 4 . 1 1 85 85 GLU N N 85 127.397 127.397 125.195 2.202 19727 2145 1 4 . 1 1 85 85 GLU HA H 85 4.610 4.610 4.511 0.099 19727 2146 1 4 . 1 1 85 85 GLU CA C 85 55.310 55.310 55.409 -0.099 19727 2147 1 4 . 1 1 85 85 GLU CB C 85 31.470 31.470 30.695 0.775 19727 2148 1 4 . 1 1 85 85 GLU H H 85 8.964 8.964 8.841 0.123 19727 2149 1 4 . 1 1 86 86 GLY N N 86 117.395 117.395 116.119 1.276 19727 2150 1 4 . 1 1 86 86 GLY CA C 86 47.580 47.580 46.814 0.766 19727 2151 1 4 . 1 1 86 86 GLY H H 86 9.039 9.039 8.712 0.327 19727 2152 1 4 . 1 1 87 87 ASN N N 87 122.457 122.457 123.608 -1.151 19727 2153 1 4 . 1 1 87 87 ASN HA H 87 4.820 4.820 5.064 -0.244 19727 2154 1 4 . 1 1 87 87 ASN CA C 87 53.170 53.170 52.940 0.230 19727 2155 1 4 . 1 1 87 87 ASN CB C 87 38.800 38.800 39.625 -0.825 19727 2156 1 4 . 1 1 87 87 ASN H H 87 8.765 8.765 8.741 0.024 19727 2157 1 4 . 1 1 88 88 LYS N N 88 117.971 117.971 118.560 -0.589 19727 2158 1 4 . 1 1 88 88 LYS HA H 88 4.960 4.960 5.003 -0.043 19727 2159 1 4 . 1 1 88 88 LYS CA C 88 56.000 56.000 54.971 1.029 19727 2160 1 4 . 1 1 88 88 LYS CB C 88 35.580 35.580 36.370 -0.790 19727 2161 1 4 . 1 1 88 88 LYS H H 88 7.986 7.986 7.652 0.334 19727 2162 1 4 . 1 1 89 89 LEU N N 89 122.876 122.876 118.340 4.536 19727 2163 1 4 . 1 1 89 89 LEU HA H 89 5.010 5.010 4.664 0.346 19727 2164 1 4 . 1 1 89 89 LEU CA C 89 53.450 53.450 53.711 -0.261 19727 2165 1 4 . 1 1 89 89 LEU CB C 89 43.856 43.856 43.706 0.150 19727 2166 1 4 . 1 1 89 89 LEU H H 89 8.622 8.622 8.001 0.621 19727 2167 1 4 . 1 1 90 90 ILE N N 90 124.780 124.780 119.257 5.523 19727 2168 1 4 . 1 1 90 90 ILE HA H 90 4.600 4.600 4.641 -0.041 19727 2169 1 4 . 1 1 90 90 ILE CA C 90 60.250 60.250 58.193 2.058 19727 2170 1 4 . 1 1 90 90 ILE CB C 90 38.760 38.760 39.300 -0.540 19727 2171 1 4 . 1 1 90 90 ILE H H 90 9.589 9.589 8.490 1.099 19727 2172 1 4 . 1 1 91 91 GLY N N 91 121.700 121.700 112.464 9.236 19727 2173 1 4 . 1 1 91 91 GLY CA C 91 44.680 44.680 43.772 0.908 19727 2174 1 4 . 1 1 91 91 GLY H H 91 9.620 9.620 8.702 0.918 19727 2175 1 4 . 1 1 92 92 LYS N N 92 127.600 127.600 120.521 7.079 19727 2176 1 4 . 1 1 92 92 LYS HA H 92 4.710 4.710 5.270 -0.560 19727 2177 1 4 . 1 1 92 92 LYS CA C 92 55.450 55.450 54.993 0.457 19727 2178 1 4 . 1 1 92 92 LYS CB C 92 33.530 33.530 37.366 -3.836 19727 2179 1 4 . 1 1 92 92 LYS H H 92 7.730 7.730 9.043 -1.313 19727 2180 1 4 . 1 1 93 93 PHE N N 93 122.003 122.003 120.004 1.999 19727 2181 1 4 . 1 1 93 93 PHE HA H 93 5.200 5.200 4.968 0.232 19727 2182 1 4 . 1 1 93 93 PHE CA C 93 55.960 55.960 56.888 -0.928 19727 2183 1 4 . 1 1 93 93 PHE CB C 93 44.350 44.350 44.271 0.079 19727 2184 1 4 . 1 1 93 93 PHE H H 93 8.443 8.443 9.239 -0.796 19727 2185 1 4 . 1 1 94 94 LYS N N 94 119.319 119.319 119.629 -0.310 19727 2186 1 4 . 1 1 94 94 LYS HA H 94 5.050 5.050 5.405 -0.355 19727 2187 1 4 . 1 1 94 94 LYS CA C 94 55.150 55.150 55.221 -0.071 19727 2188 1 4 . 1 1 94 94 LYS CB C 94 36.180 36.180 35.643 0.537 19727 2189 1 4 . 1 1 94 94 LYS H H 94 8.803 8.803 8.806 -0.003 19727 2190 1 4 . 1 1 95 95 ARG N N 95 122.142 122.142 126.621 -4.479 19727 2191 1 4 . 1 1 95 95 ARG HA H 95 4.760 4.760 4.871 -0.111 19727 2192 1 4 . 1 1 95 95 ARG CA C 95 56.030 56.030 55.628 0.402 19727 2193 1 4 . 1 1 95 95 ARG CB C 95 31.720 31.720 30.771 0.949 19727 2194 1 4 . 1 1 95 95 ARG H H 95 8.738 8.738 8.501 0.237 19727 2195 1 4 . 1 1 96 96 THR N N 96 117.210 117.210 116.836 0.374 19727 2196 1 4 . 1 1 96 96 THR HA H 96 4.060 4.060 4.129 -0.069 19727 2197 1 4 . 1 1 96 96 THR CA C 96 64.140 64.140 64.666 -0.526 19727 2198 1 4 . 1 1 96 96 THR CB C 96 68.570 68.570 68.617 -0.047 19727 2199 1 4 . 1 1 96 96 THR H H 96 8.520 8.520 8.749 -0.229 19727 2200 1 4 . 1 1 97 97 ASP N N 97 120.647 120.647 120.262 0.385 19727 2201 1 4 . 1 1 97 97 ASP HA H 97 4.330 4.330 4.426 -0.096 19727 2202 1 4 . 1 1 97 97 ASP CA C 97 56.200 56.200 56.068 0.132 19727 2203 1 4 . 1 1 97 97 ASP CB C 97 38.860 38.860 41.159 -2.299 19727 2204 1 4 . 1 1 97 97 ASP H H 97 8.932 8.932 8.606 0.326 19727 2205 1 4 . 1 1 98 98 ASN N N 98 116.362 116.362 115.187 1.175 19727 2206 1 4 . 1 1 98 98 ASN HA H 98 4.750 4.750 4.720 0.030 19727 2207 1 4 . 1 1 98 98 ASN CA C 98 51.640 51.640 53.510 -1.870 19727 2208 1 4 . 1 1 98 98 ASN CB C 98 39.340 39.340 39.230 0.110 19727 2209 1 4 . 1 1 98 98 ASN H H 98 8.614 8.614 7.573 1.041 19727 2210 1 4 . 1 1 99 99 GLY N N 99 107.794 107.794 108.975 -1.181 19727 2211 1 4 . 1 1 99 99 GLY CA C 99 46.300 46.300 46.190 0.111 19727 2212 1 4 . 1 1 99 99 GLY H H 99 7.811 7.811 8.319 -0.508 19727 2213 1 4 . 1 1 100 100 ASN N N 100 118.972 118.972 118.793 0.179 19727 2214 1 4 . 1 1 100 100 ASN HA H 100 4.690 4.690 4.657 0.033 19727 2215 1 4 . 1 1 100 100 ASN CA C 100 53.210 53.210 54.064 -0.854 19727 2216 1 4 . 1 1 100 100 ASN CB C 100 38.970 38.970 40.266 -1.296 19727 2217 1 4 . 1 1 100 100 ASN H H 100 8.416 8.416 7.844 0.572 19727 2218 1 4 . 1 1 101 101 GLU N N 101 119.642 119.642 121.391 -1.749 19727 2219 1 4 . 1 1 101 101 GLU HA H 101 4.790 4.790 4.382 0.408 19727 2220 1 4 . 1 1 101 101 GLU CA C 101 57.020 57.020 57.114 -0.094 19727 2221 1 4 . 1 1 101 101 GLU CB C 101 31.970 31.970 30.610 1.360 19727 2222 1 4 . 1 1 101 101 GLU H H 101 8.730 8.730 8.743 -0.013 19727 2223 1 4 . 1 1 102 102 LEU N N 102 125.033 125.033 127.695 -2.662 19727 2224 1 4 . 1 1 102 102 LEU HA H 102 5.200 5.200 5.407 -0.207 19727 2225 1 4 . 1 1 102 102 LEU CA C 102 55.260 55.260 54.326 0.934 19727 2226 1 4 . 1 1 102 102 LEU CB C 102 45.870 45.870 45.650 0.220 19727 2227 1 4 . 1 1 102 102 LEU H H 102 8.908 8.908 8.066 0.842 19727 2228 1 4 . 1 1 103 103 ASN N N 103 123.919 123.919 125.195 -1.276 19727 2229 1 4 . 1 1 103 103 ASN HA H 103 5.670 5.670 5.332 0.338 19727 2230 1 4 . 1 1 103 103 ASN CA C 103 52.150 52.150 52.383 -0.232 19727 2231 1 4 . 1 1 103 103 ASN CB C 103 41.970 41.970 42.341 -0.371 19727 2232 1 4 . 1 1 103 103 ASN H H 103 8.452 8.452 9.588 -1.136 19727 2233 1 4 . 1 1 104 104 THR N N 104 117.100 117.100 113.280 3.820 19727 2234 1 4 . 1 1 104 104 THR HA H 104 5.530 5.530 4.879 0.651 19727 2235 1 4 . 1 1 104 104 THR CA C 104 58.550 58.550 61.065 -2.515 19727 2236 1 4 . 1 1 104 104 THR CB C 104 70.450 70.450 70.486 -0.036 19727 2237 1 4 . 1 1 104 104 THR H H 104 9.050 9.050 8.617 0.433 19727 2238 1 4 . 1 1 105 105 VAL HA H 105 5.290 5.290 4.338 0.952 19727 2239 1 4 . 1 1 105 105 VAL CA C 105 61.070 61.070 61.274 -0.204 19727 2240 1 4 . 1 1 105 105 VAL CB C 105 36.290 36.290 34.348 1.942 19727 2241 1 4 . 1 1 106 106 ARG N N 106 124.249 124.249 126.026 -1.777 19727 2242 1 4 . 1 1 106 106 ARG CA C 106 54.890 54.890 54.528 0.362 19727 2243 1 4 . 1 1 106 106 ARG CB C 106 33.890 33.890 32.380 1.510 19727 2244 1 4 . 1 1 106 106 ARG H H 106 9.466 9.466 8.206 1.260 19727 2245 1 4 . 1 1 107 107 GLU N N 107 120.784 120.784 122.866 -2.082 19727 2246 1 4 . 1 1 107 107 GLU HA H 107 4.960 4.960 4.818 0.142 19727 2247 1 4 . 1 1 107 107 GLU CA C 107 54.810 54.810 53.818 0.992 19727 2248 1 4 . 1 1 107 107 GLU CB C 107 33.800 33.800 32.629 1.171 19727 2249 1 4 . 1 1 107 107 GLU H H 107 8.605 8.605 8.189 0.416 19727 2250 1 4 . 1 1 108 108 ILE N N 108 124.182 124.182 122.095 2.087 19727 2251 1 4 . 1 1 108 108 ILE HA H 108 4.780 4.780 4.328 0.452 19727 2252 1 4 . 1 1 108 108 ILE CA C 108 59.050 59.050 60.089 -1.039 19727 2253 1 4 . 1 1 108 108 ILE CB C 108 36.670 36.670 35.800 0.870 19727 2254 1 4 . 1 1 108 108 ILE H H 108 8.732 8.732 8.720 0.012 19727 2255 1 4 . 1 1 109 109 ILE N N 109 129.631 129.631 128.622 1.009 19727 2256 1 4 . 1 1 109 109 ILE HA H 109 4.250 4.250 4.105 0.145 19727 2257 1 4 . 1 1 109 109 ILE CA C 109 61.100 61.100 60.591 0.509 19727 2258 1 4 . 1 1 109 109 ILE CB C 109 39.290 39.290 38.845 0.445 19727 2259 1 4 . 1 1 109 109 ILE H H 109 8.903 8.903 7.873 1.030 19727 2260 1 4 . 1 1 110 110 GLY N N 110 119.473 119.473 117.029 2.444 19727 2261 1 4 . 1 1 110 110 GLY CA C 110 47.690 47.690 46.166 1.524 19727 2262 1 4 . 1 1 110 110 GLY H H 110 9.123 9.123 8.475 0.648 19727 2263 1 4 . 1 1 111 111 ASP N N 111 123.998 123.998 123.866 0.132 19727 2264 1 4 . 1 1 111 111 ASP HA H 111 4.750 4.750 4.735 0.015 19727 2265 1 4 . 1 1 111 111 ASP CA C 111 54.100 54.100 54.033 0.067 19727 2266 1 4 . 1 1 111 111 ASP CB C 111 41.490 41.490 40.767 0.723 19727 2267 1 4 . 1 1 111 111 ASP H H 111 8.699 8.699 8.514 0.185 19727 2268 1 4 . 1 1 112 112 GLU N N 112 118.194 118.194 117.438 0.756 19727 2269 1 4 . 1 1 112 112 GLU HA H 112 5.150 5.150 4.739 0.411 19727 2270 1 4 . 1 1 112 112 GLU CA C 112 55.560 55.560 54.565 0.996 19727 2271 1 4 . 1 1 112 112 GLU CB C 112 33.200 33.200 34.013 -0.813 19727 2272 1 4 . 1 1 112 112 GLU H H 112 7.924 7.924 8.279 -0.355 19727 2273 1 4 . 1 1 113 113 LEU N N 113 123.501 123.501 120.201 3.300 19727 2274 1 4 . 1 1 113 113 LEU HA H 113 4.400 4.400 5.018 -0.618 19727 2275 1 4 . 1 1 113 113 LEU CA C 113 54.140 54.140 53.742 0.398 19727 2276 1 4 . 1 1 113 113 LEU CB C 113 42.180 42.180 44.877 -2.697 19727 2277 1 4 . 1 1 113 113 LEU H H 113 7.851 7.851 8.346 -0.495 19727 2278 1 4 . 1 1 114 114 VAL N N 114 127.898 127.898 125.336 2.562 19727 2279 1 4 . 1 1 114 114 VAL HA H 114 4.520 4.520 4.681 -0.161 19727 2280 1 4 . 1 1 114 114 VAL CA C 114 62.290 62.290 59.829 2.461 19727 2281 1 4 . 1 1 114 114 VAL CB C 114 33.430 33.430 33.108 0.323 19727 2282 1 4 . 1 1 114 114 VAL H H 114 9.357 9.357 8.590 0.767 19727 2283 1 4 . 1 1 115 115 GLN N N 115 130.218 130.218 129.419 0.799 19727 2284 1 4 . 1 1 115 115 GLN HA H 115 5.710 5.710 5.125 0.585 19727 2285 1 4 . 1 1 115 115 GLN CA C 115 53.930 53.930 54.759 -0.829 19727 2286 1 4 . 1 1 115 115 GLN CB C 115 30.060 30.060 31.535 -1.475 19727 2287 1 4 . 1 1 115 115 GLN H H 115 9.552 9.552 9.309 0.243 19727 2288 1 4 . 1 1 116 116 THR N N 116 121.078 121.078 119.483 1.595 19727 2289 1 4 . 1 1 116 116 THR HA H 116 5.080 5.080 5.000 0.080 19727 2290 1 4 . 1 1 116 116 THR CA C 116 61.800 61.800 62.125 -0.325 19727 2291 1 4 . 1 1 116 116 THR CB C 116 70.470 70.470 70.035 0.435 19727 2292 1 4 . 1 1 116 116 THR H H 116 8.832 8.832 9.044 -0.212 19727 2293 1 4 . 1 1 117 117 TYR N N 117 125.712 125.712 126.775 -1.063 19727 2294 1 4 . 1 1 117 117 TYR HA H 117 4.950 4.950 5.753 -0.803 19727 2295 1 4 . 1 1 117 117 TYR CA C 117 56.430 56.430 56.233 0.196 19727 2296 1 4 . 1 1 117 117 TYR CB C 117 42.110 42.110 41.611 0.499 19727 2297 1 4 . 1 1 117 117 TYR H H 117 9.440 9.440 9.806 -0.366 19727 2298 1 4 . 1 1 118 118 VAL N N 118 120.314 120.314 120.379 -0.065 19727 2299 1 4 . 1 1 118 118 VAL HA H 118 5.350 5.350 5.218 0.132 19727 2300 1 4 . 1 1 118 118 VAL CA C 118 62.170 62.170 60.118 2.052 19727 2301 1 4 . 1 1 118 118 VAL CB C 118 34.810 34.810 36.473 -1.663 19727 2302 1 4 . 1 1 118 118 VAL H H 118 9.026 9.026 9.502 -0.476 19727 2303 1 4 . 1 1 119 119 TYR N N 119 127.564 127.564 128.284 -0.720 19727 2304 1 4 . 1 1 119 119 TYR HA H 119 4.940 4.940 5.261 -0.321 19727 2305 1 4 . 1 1 119 119 TYR CA C 119 58.170 58.170 56.715 1.455 19727 2306 1 4 . 1 1 119 119 TYR CB C 119 43.490 43.490 40.937 2.553 19727 2307 1 4 . 1 1 119 119 TYR H H 119 9.041 9.041 9.465 -0.424 19727 2308 1 4 . 1 1 120 120 GLU N N 120 125.533 125.533 125.560 -0.027 19727 2309 1 4 . 1 1 120 120 GLU HA H 120 3.430 3.430 3.662 -0.232 19727 2310 1 4 . 1 1 120 120 GLU CA C 120 56.140 56.140 57.277 -1.137 19727 2311 1 4 . 1 1 120 120 GLU CB C 120 28.400 28.400 27.820 0.580 19727 2312 1 4 . 1 1 120 120 GLU H H 120 9.509 9.509 8.279 1.230 19727 2313 1 4 . 1 1 121 121 GLY N N 121 102.076 102.076 110.346 -8.270 19727 2314 1 4 . 1 1 121 121 GLY CA C 121 45.480 45.480 45.513 -0.033 19727 2315 1 4 . 1 1 121 121 GLY H H 121 8.374 8.374 8.504 -0.130 19727 2316 1 4 . 1 1 122 122 VAL N N 122 123.797 123.797 124.603 -0.806 19727 2317 1 4 . 1 1 122 122 VAL HA H 122 4.190 4.190 4.037 0.153 19727 2318 1 4 . 1 1 122 122 VAL CA C 122 62.660 62.660 63.324 -0.664 19727 2319 1 4 . 1 1 122 122 VAL CB C 122 32.980 32.980 32.837 0.143 19727 2320 1 4 . 1 1 122 122 VAL H H 122 8.371 8.371 7.619 0.752 19727 2321 1 4 . 1 1 123 123 GLU N N 123 126.257 126.257 127.926 -1.669 19727 2322 1 4 . 1 1 123 123 GLU HA H 123 5.670 5.670 5.428 0.242 19727 2323 1 4 . 1 1 123 123 GLU CA C 123 54.010 54.010 55.170 -1.160 19727 2324 1 4 . 1 1 123 123 GLU CB C 123 32.850 32.850 33.140 -0.290 19727 2325 1 4 . 1 1 123 123 GLU H H 123 8.511 8.511 8.759 -0.248 19727 2326 1 4 . 1 1 124 124 ALA N N 124 126.354 126.354 129.616 -3.262 19727 2327 1 4 . 1 1 124 124 ALA HA H 124 5.150 5.150 4.813 0.337 19727 2328 1 4 . 1 1 124 124 ALA CA C 124 50.860 50.860 50.583 0.277 19727 2329 1 4 . 1 1 124 124 ALA CB C 124 24.060 24.060 21.797 2.263 19727 2330 1 4 . 1 1 124 124 ALA H H 124 9.258 9.258 9.424 -0.166 19727 2331 1 4 . 1 1 125 125 LYS N N 125 115.989 115.989 122.492 -6.503 19727 2332 1 4 . 1 1 125 125 LYS HA H 125 5.760 5.760 5.519 0.241 19727 2333 1 4 . 1 1 125 125 LYS CA C 125 55.130 55.130 54.452 0.678 19727 2334 1 4 . 1 1 125 125 LYS CB C 125 38.130 38.130 36.286 1.844 19727 2335 1 4 . 1 1 125 125 LYS H H 125 8.847 8.847 8.763 0.084 19727 2336 1 4 . 1 1 126 126 ARG N N 126 120.557 120.557 120.743 -0.186 19727 2337 1 4 . 1 1 126 126 ARG HA H 126 4.750 4.750 4.742 0.008 19727 2338 1 4 . 1 1 126 126 ARG CA C 126 56.940 56.940 56.261 0.679 19727 2339 1 4 . 1 1 126 126 ARG CB C 126 34.040 34.040 33.366 0.674 19727 2340 1 4 . 1 1 126 126 ARG H H 126 9.241 9.241 9.288 -0.047 19727 2341 1 4 . 1 1 127 127 ILE N N 127 122.970 122.970 127.378 -4.408 19727 2342 1 4 . 1 1 127 127 ILE HA H 127 5.020 5.020 4.562 0.458 19727 2343 1 4 . 1 1 127 127 ILE CA C 127 61.670 61.670 61.302 0.368 19727 2344 1 4 . 1 1 127 127 ILE CB C 127 40.200 40.200 38.370 1.830 19727 2345 1 4 . 1 1 127 127 ILE H H 127 8.785 8.785 8.288 0.497 19727 2346 1 4 . 1 1 128 128 PHE N N 128 126.381 126.381 128.913 -2.532 19727 2347 1 4 . 1 1 128 128 PHE HA H 128 5.260 5.260 4.910 0.350 19727 2348 1 4 . 1 1 128 128 PHE CA C 128 56.050 56.050 56.482 -0.432 19727 2349 1 4 . 1 1 128 128 PHE CB C 128 42.730 42.730 43.235 -0.505 19727 2350 1 4 . 1 1 128 128 PHE H H 128 10.070 10.070 9.176 0.894 19727 2351 1 4 . 1 1 129 129 LYS N N 129 118.294 118.294 122.324 -4.030 19727 2352 1 4 . 1 1 129 129 LYS HA H 129 5.310 5.310 4.141 1.169 19727 2353 1 4 . 1 1 129 129 LYS CA C 129 54.740 54.740 54.091 0.649 19727 2354 1 4 . 1 1 129 129 LYS CB C 129 37.070 37.070 37.248 -0.178 19727 2355 1 4 . 1 1 129 129 LYS H H 129 8.866 8.866 7.036 1.830 19727 2356 1 4 . 1 1 130 130 LYS N N 130 123.147 123.147 119.032 4.115 19727 2357 1 4 . 1 1 130 130 LYS HA H 130 4.090 4.090 4.328 -0.238 19727 2358 1 4 . 1 1 130 130 LYS CA C 130 57.790 57.790 54.269 3.521 19727 2359 1 4 . 1 1 130 130 LYS CB C 130 33.020 33.020 34.446 -1.426 19727 2360 1 4 . 1 1 130 130 LYS H H 130 9.057 9.057 8.008 1.049 19727 2361 1 5 . 1 1 2 2 PHE N N 2 113.067 113.067 120.003 -6.936 19727 2362 1 5 . 1 1 2 2 PHE HA H 2 4.440 4.440 4.844 -0.404 19727 2363 1 5 . 1 1 2 2 PHE CA C 2 59.610 59.610 57.241 2.369 19727 2364 1 5 . 1 1 2 2 PHE CB C 2 39.760 39.760 39.733 0.027 19727 2365 1 5 . 1 1 2 2 PHE H H 2 8.270 8.270 8.115 0.155 19727 2366 1 5 . 1 1 3 3 ASP N N 3 118.589 118.589 120.275 -1.686 19727 2367 1 5 . 1 1 3 3 ASP HA H 3 4.890 4.890 4.382 0.508 19727 2368 1 5 . 1 1 3 3 ASP CA C 3 55.030 55.030 56.052 -1.022 19727 2369 1 5 . 1 1 3 3 ASP CB C 3 39.460 39.460 40.313 -0.853 19727 2370 1 5 . 1 1 3 3 ASP H H 3 7.554 7.554 8.405 -0.851 19727 2371 1 5 . 1 1 4 4 SER N N 4 120.654 120.654 119.662 0.992 19727 2372 1 5 . 1 1 4 4 SER HA H 4 4.250 4.250 4.718 -0.468 19727 2373 1 5 . 1 1 4 4 SER CA C 4 59.530 59.530 58.337 1.194 19727 2374 1 5 . 1 1 4 4 SER CB C 4 65.300 65.300 65.732 -0.432 19727 2375 1 5 . 1 1 4 4 SER H H 4 8.250 8.250 8.677 -0.427 19727 2376 1 5 . 1 1 5 5 THR N N 5 115.812 115.812 119.663 -3.851 19727 2377 1 5 . 1 1 5 5 THR HA H 5 5.160 5.160 4.690 0.470 19727 2378 1 5 . 1 1 5 5 THR CA C 5 63.480 63.480 63.875 -0.395 19727 2379 1 5 . 1 1 5 5 THR CB C 5 69.630 69.630 69.773 -0.144 19727 2380 1 5 . 1 1 5 5 THR H H 5 8.041 8.041 8.824 -0.783 19727 2381 1 5 . 1 1 6 6 TRP N N 6 128.256 128.256 128.012 0.244 19727 2382 1 5 . 1 1 6 6 TRP HA H 6 5.240 5.240 5.347 -0.107 19727 2383 1 5 . 1 1 6 6 TRP CA C 6 55.770 55.770 55.422 0.348 19727 2384 1 5 . 1 1 6 6 TRP CB C 6 32.800 32.800 31.139 1.661 19727 2385 1 5 . 1 1 6 6 TRP H H 6 9.514 9.514 9.352 0.162 19727 2386 1 5 . 1 1 7 7 LYS N N 7 122.895 122.895 123.371 -0.476 19727 2387 1 5 . 1 1 7 7 LYS HA H 7 5.490 5.490 4.973 0.517 19727 2388 1 5 . 1 1 7 7 LYS CA C 7 54.680 54.680 54.887 -0.207 19727 2389 1 5 . 1 1 7 7 LYS CB C 7 35.840 35.840 35.324 0.516 19727 2390 1 5 . 1 1 7 7 LYS H H 7 9.954 9.954 8.782 1.172 19727 2391 1 5 . 1 1 8 8 VAL N N 8 128.078 128.078 125.750 2.328 19727 2392 1 5 . 1 1 8 8 VAL HA H 8 3.280 3.280 4.184 -0.904 19727 2393 1 5 . 1 1 8 8 VAL CA C 8 64.810 64.810 63.785 1.025 19727 2394 1 5 . 1 1 8 8 VAL CB C 8 31.790 31.790 33.284 -1.494 19727 2395 1 5 . 1 1 8 8 VAL H H 8 8.780 8.780 8.114 0.666 19727 2396 1 5 . 1 1 9 9 ASP N N 9 127.565 127.565 128.275 -0.710 19727 2397 1 5 . 1 1 9 9 ASP HA H 9 4.930 4.930 4.660 0.270 19727 2398 1 5 . 1 1 9 9 ASP CA C 9 55.750 55.750 55.921 -0.171 19727 2399 1 5 . 1 1 9 9 ASP CB C 9 46.830 46.830 42.487 4.343 19727 2400 1 5 . 1 1 9 9 ASP H H 9 9.712 9.712 8.361 1.351 19727 2401 1 5 . 1 1 10 10 ARG N N 10 112.578 112.578 114.025 -1.447 19727 2402 1 5 . 1 1 10 10 ARG HA H 10 4.740 4.740 3.834 0.905 19727 2403 1 5 . 1 1 10 10 ARG CA C 10 55.200 55.200 54.084 1.116 19727 2404 1 5 . 1 1 10 10 ARG CB C 10 31.470 31.470 33.614 -2.144 19727 2405 1 5 . 1 1 10 10 ARG H H 10 7.823 7.823 7.536 0.287 19727 2406 1 5 . 1 1 11 11 SER N N 11 113.123 113.123 113.622 -0.499 19727 2407 1 5 . 1 1 11 11 SER HA H 11 5.270 5.270 4.809 0.461 19727 2408 1 5 . 1 1 11 11 SER CA C 11 57.490 57.490 57.168 0.322 19727 2409 1 5 . 1 1 11 11 SER CB C 11 66.620 66.620 66.773 -0.153 19727 2410 1 5 . 1 1 11 11 SER H H 11 8.602 8.602 8.052 0.550 19727 2411 1 5 . 1 1 12 12 GLU N N 12 121.867 121.867 120.549 1.318 19727 2412 1 5 . 1 1 12 12 GLU HA H 12 4.760 4.760 4.548 0.212 19727 2413 1 5 . 1 1 12 12 GLU CA C 12 55.420 55.420 56.207 -0.787 19727 2414 1 5 . 1 1 12 12 GLU CB C 12 33.060 33.060 32.818 0.242 19727 2415 1 5 . 1 1 12 12 GLU H H 12 9.447 9.447 8.954 0.493 19727 2416 1 5 . 1 1 13 13 ASN N N 13 121.822 121.822 121.135 0.687 19727 2417 1 5 . 1 1 13 13 ASN HA H 13 4.720 4.720 4.424 0.296 19727 2418 1 5 . 1 1 13 13 ASN CA C 13 54.200 54.200 54.869 -0.669 19727 2419 1 5 . 1 1 13 13 ASN CB C 13 39.870 39.870 37.559 2.311 19727 2420 1 5 . 1 1 13 13 ASN H H 13 9.350 9.350 9.074 0.276 19727 2421 1 5 . 1 1 14 14 TYR N N 14 120.082 120.082 118.549 1.533 19727 2422 1 5 . 1 1 14 14 TYR HA H 14 4.290 4.290 3.860 0.430 19727 2423 1 5 . 1 1 14 14 TYR CA C 14 60.700 60.700 61.673 -0.973 19727 2424 1 5 . 1 1 14 14 TYR CB C 14 39.620 39.620 38.123 1.497 19727 2425 1 5 . 1 1 14 14 TYR H H 14 8.357 8.357 8.429 -0.072 19727 2426 1 5 . 1 1 15 15 ASP N N 15 118.245 118.245 118.371 -0.126 19727 2427 1 5 . 1 1 15 15 ASP HA H 15 4.060 4.060 4.362 -0.302 19727 2428 1 5 . 1 1 15 15 ASP CA C 15 58.620 58.620 57.551 1.069 19727 2429 1 5 . 1 1 15 15 ASP CB C 15 41.140 41.140 39.930 1.210 19727 2430 1 5 . 1 1 15 15 ASP H H 15 8.562 8.562 8.748 -0.186 19727 2431 1 5 . 1 1 16 16 LYS N N 16 118.806 118.806 119.654 -0.848 19727 2432 1 5 . 1 1 16 16 LYS HA H 16 4.050 4.050 4.102 -0.052 19727 2433 1 5 . 1 1 16 16 LYS CA C 16 58.610 58.610 59.575 -0.965 19727 2434 1 5 . 1 1 16 16 LYS CB C 16 31.550 31.550 32.316 -0.766 19727 2435 1 5 . 1 1 16 16 LYS H H 16 7.801 7.801 7.520 0.281 19727 2436 1 5 . 1 1 17 17 PHE N N 17 120.733 120.733 115.655 5.078 19727 2437 1 5 . 1 1 17 17 PHE HA H 17 4.020 4.020 4.379 -0.359 19727 2438 1 5 . 1 1 17 17 PHE CA C 17 61.620 61.620 59.661 1.959 19727 2439 1 5 . 1 1 17 17 PHE CB C 17 40.250 40.250 38.474 1.776 19727 2440 1 5 . 1 1 17 17 PHE H H 17 7.543 7.543 8.189 -0.646 19727 2441 1 5 . 1 1 18 18 MET N N 18 117.590 117.590 117.696 -0.106 19727 2442 1 5 . 1 1 18 18 MET HA H 18 3.210 3.210 4.318 -1.108 19727 2443 1 5 . 1 1 18 18 MET CA C 18 59.860 59.860 56.783 3.077 19727 2444 1 5 . 1 1 18 18 MET CB C 18 34.110 34.110 31.215 2.895 19727 2445 1 5 . 1 1 18 18 MET H H 18 8.063 8.063 8.040 0.023 19727 2446 1 5 . 1 1 19 19 GLU N N 19 120.480 120.480 120.592 -0.112 19727 2447 1 5 . 1 1 19 19 GLU HA H 19 3.830 3.830 4.222 -0.392 19727 2448 1 5 . 1 1 19 19 GLU CA C 19 60.040 60.040 58.333 1.707 19727 2449 1 5 . 1 1 19 19 GLU CB C 19 29.790 29.790 29.190 0.600 19727 2450 1 5 . 1 1 19 19 GLU H H 19 8.430 8.430 8.189 0.241 19727 2451 1 5 . 1 1 20 20 LYS N N 20 122.631 122.631 120.205 2.426 19727 2452 1 5 . 1 1 20 20 LYS HA H 20 4.070 4.070 4.122 -0.052 19727 2453 1 5 . 1 1 20 20 LYS CA C 20 57.400 57.400 59.011 -1.611 19727 2454 1 5 . 1 1 20 20 LYS CB C 20 31.940 31.940 32.563 -0.623 19727 2455 1 5 . 1 1 20 20 LYS H H 20 8.080 8.080 7.746 0.334 19727 2456 1 5 . 1 1 21 21 MET N N 21 114.794 114.794 114.069 0.725 19727 2457 1 5 . 1 1 21 21 MET HA H 21 3.810 3.810 4.070 -0.260 19727 2458 1 5 . 1 1 21 21 MET CA C 21 56.310 56.310 56.929 -0.619 19727 2459 1 5 . 1 1 21 21 MET CB C 21 32.729 32.729 33.266 -0.537 19727 2460 1 5 . 1 1 21 21 MET H H 21 7.554 7.554 7.463 0.091 19727 2461 1 5 . 1 1 22 22 GLY N N 22 107.423 107.423 105.905 1.518 19727 2462 1 5 . 1 1 22 22 GLY CA C 22 45.310 45.310 44.844 0.466 19727 2463 1 5 . 1 1 22 22 GLY H H 22 7.718 7.718 7.892 -0.174 19727 2464 1 5 . 1 1 23 23 VAL N N 23 121.380 121.380 120.020 1.360 19727 2465 1 5 . 1 1 23 23 VAL HA H 23 3.770 3.770 4.043 -0.273 19727 2466 1 5 . 1 1 23 23 VAL CA C 23 62.650 62.650 60.370 2.280 19727 2467 1 5 . 1 1 23 23 VAL CB C 23 32.060 32.060 31.785 0.275 19727 2468 1 5 . 1 1 23 23 VAL H H 23 7.491 7.491 7.731 -0.240 19727 2469 1 5 . 1 1 24 24 ASN N N 24 127.861 127.861 125.458 2.403 19727 2470 1 5 . 1 1 24 24 ASN HA H 24 4.430 4.430 4.452 -0.022 19727 2471 1 5 . 1 1 24 24 ASN CA C 24 54.090 54.090 53.466 0.624 19727 2472 1 5 . 1 1 24 24 ASN CB C 24 39.330 39.330 39.079 0.251 19727 2473 1 5 . 1 1 24 24 ASN H H 24 8.780 8.780 8.439 0.341 19727 2474 1 5 . 1 1 25 25 ILE N N 25 121.002 121.002 123.439 -2.437 19727 2475 1 5 . 1 1 25 25 ILE HA H 25 3.660 3.660 3.595 0.065 19727 2476 1 5 . 1 1 25 25 ILE CA C 25 65.350 65.350 64.467 0.883 19727 2477 1 5 . 1 1 25 25 ILE CB C 25 38.910 38.910 38.113 0.797 19727 2478 1 5 . 1 1 25 25 ILE H H 25 8.494 8.494 8.661 -0.167 19727 2479 1 5 . 1 1 26 26 VAL N N 26 121.014 121.014 118.590 2.424 19727 2480 1 5 . 1 1 26 26 VAL HA H 26 3.680 3.680 3.445 0.235 19727 2481 1 5 . 1 1 26 26 VAL CA C 26 66.080 66.080 65.996 0.084 19727 2482 1 5 . 1 1 26 26 VAL CB C 26 31.930 31.930 31.231 0.699 19727 2483 1 5 . 1 1 26 26 VAL H H 26 7.569 7.569 7.900 -0.331 19727 2484 1 5 . 1 1 27 27 LYS N N 27 118.674 118.674 116.832 1.842 19727 2485 1 5 . 1 1 27 27 LYS HA H 27 4.140 4.140 4.202 -0.062 19727 2486 1 5 . 1 1 27 27 LYS CA C 27 58.240 58.240 57.492 0.748 19727 2487 1 5 . 1 1 27 27 LYS CB C 27 32.610 32.610 32.015 0.595 19727 2488 1 5 . 1 1 27 27 LYS H H 27 7.729 7.729 7.784 -0.055 19727 2489 1 5 . 1 1 28 28 ARG N N 28 119.667 119.667 121.765 -2.098 19727 2490 1 5 . 1 1 28 28 ARG HA H 28 3.740 3.740 4.000 -0.260 19727 2491 1 5 . 1 1 28 28 ARG CA C 28 60.040 60.040 58.141 1.899 19727 2492 1 5 . 1 1 28 28 ARG CB C 28 30.760 30.760 28.873 1.887 19727 2493 1 5 . 1 1 28 28 ARG H H 28 8.418 8.418 8.377 0.041 19727 2494 1 5 . 1 1 29 29 LYS N N 29 118.502 118.502 119.090 -0.588 19727 2495 1 5 . 1 1 29 29 LYS HA H 29 4.040 4.040 3.868 0.172 19727 2496 1 5 . 1 1 29 29 LYS CA C 29 59.460 59.460 59.701 -0.241 19727 2497 1 5 . 1 1 29 29 LYS CB C 29 32.440 32.440 31.867 0.573 19727 2498 1 5 . 1 1 29 29 LYS H H 29 7.611 7.611 8.444 -0.833 19727 2499 1 5 . 1 1 30 30 LEU N N 30 119.200 119.200 116.084 3.116 19727 2500 1 5 . 1 1 30 30 LEU HA H 30 4.170 4.170 4.333 -0.163 19727 2501 1 5 . 1 1 30 30 LEU CA C 30 57.560 57.560 55.584 1.976 19727 2502 1 5 . 1 1 30 30 LEU CB C 30 42.320 42.320 42.055 0.265 19727 2503 1 5 . 1 1 30 30 LEU H H 30 7.292 7.292 7.408 -0.116 19727 2504 1 5 . 1 1 31 31 ALA N N 31 120.380 120.380 121.110 -0.730 19727 2505 1 5 . 1 1 31 31 ALA HA H 31 4.080 4.080 4.176 -0.096 19727 2506 1 5 . 1 1 31 31 ALA CA C 31 54.370 54.370 52.895 1.475 19727 2507 1 5 . 1 1 31 31 ALA CB C 31 19.300 19.300 18.541 0.759 19727 2508 1 5 . 1 1 31 31 ALA H H 31 8.257 8.257 7.106 1.151 19727 2509 1 5 . 1 1 32 32 ALA N N 32 117.152 117.152 120.725 -3.573 19727 2510 1 5 . 1 1 32 32 ALA HA H 32 4.130 4.130 3.270 0.860 19727 2511 1 5 . 1 1 32 32 ALA CA C 32 54.060 54.060 54.481 -0.421 19727 2512 1 5 . 1 1 32 32 ALA CB C 32 18.710 18.710 19.061 -0.350 19727 2513 1 5 . 1 1 32 32 ALA H H 32 7.320 7.320 7.997 -0.677 19727 2514 1 5 . 1 1 33 33 HIS N N 33 115.869 115.869 111.766 4.103 19727 2515 1 5 . 1 1 33 33 HIS HA H 33 5.000 5.000 4.352 0.648 19727 2516 1 5 . 1 1 33 33 HIS CA C 33 54.200 54.200 56.632 -2.432 19727 2517 1 5 . 1 1 33 33 HIS CB C 33 28.310 28.310 29.100 -0.790 19727 2518 1 5 . 1 1 33 33 HIS H H 33 7.675 7.675 7.856 -0.181 19727 2519 1 5 . 1 1 34 34 ASP N N 34 117.892 117.892 122.017 -4.125 19727 2520 1 5 . 1 1 34 34 ASP HA H 34 4.200 4.200 3.787 0.413 19727 2521 1 5 . 1 1 34 34 ASP CA C 34 54.450 54.450 57.152 -2.702 19727 2522 1 5 . 1 1 34 34 ASP CB C 34 40.740 40.740 40.489 0.251 19727 2523 1 5 . 1 1 34 34 ASP H H 34 7.430 7.430 8.342 -0.912 19727 2524 1 5 . 1 1 35 35 ASN N N 35 118.996 118.996 117.606 1.390 19727 2525 1 5 . 1 1 35 35 ASN HA H 35 4.310 4.310 4.804 -0.494 19727 2526 1 5 . 1 1 35 35 ASN CA C 35 53.650 53.650 52.602 1.048 19727 2527 1 5 . 1 1 35 35 ASN CB C 35 37.760 37.760 38.647 -0.887 19727 2528 1 5 . 1 1 35 35 ASN H H 35 9.086 9.086 8.165 0.921 19727 2529 1 5 . 1 1 36 36 LEU N N 36 118.708 118.708 122.370 -3.662 19727 2530 1 5 . 1 1 36 36 LEU CA C 36 57.330 57.330 53.989 3.341 19727 2531 1 5 . 1 1 36 36 LEU CB C 36 42.810 42.810 43.889 -1.079 19727 2532 1 5 . 1 1 36 36 LEU H H 36 6.914 6.914 7.488 -0.574 19727 2533 1 5 . 1 1 37 37 LYS N N 37 126.148 126.148 127.324 -1.176 19727 2534 1 5 . 1 1 37 37 LYS HA H 37 5.650 5.650 4.942 0.708 19727 2535 1 5 . 1 1 37 37 LYS CA C 37 55.170 55.170 54.247 0.923 19727 2536 1 5 . 1 1 37 37 LYS CB C 37 36.200 36.200 35.001 1.200 19727 2537 1 5 . 1 1 37 37 LYS H H 37 9.246 9.246 9.178 0.068 19727 2538 1 5 . 1 1 38 38 LEU N N 38 122.300 122.300 127.588 -5.288 19727 2539 1 5 . 1 1 38 38 LEU HA H 38 5.550 5.550 4.797 0.753 19727 2540 1 5 . 1 1 38 38 LEU CA C 38 52.870 52.870 53.312 -0.442 19727 2541 1 5 . 1 1 38 38 LEU CB C 38 46.720 46.720 45.665 1.055 19727 2542 1 5 . 1 1 38 38 LEU H H 38 9.324 9.324 9.034 0.290 19727 2543 1 5 . 1 1 39 39 THR N N 39 120.586 120.586 120.692 -0.106 19727 2544 1 5 . 1 1 39 39 THR HA H 39 5.280 5.280 4.973 0.307 19727 2545 1 5 . 1 1 39 39 THR CA C 39 62.950 62.950 61.304 1.646 19727 2546 1 5 . 1 1 39 39 THR CB C 39 70.590 70.590 71.684 -1.094 19727 2547 1 5 . 1 1 39 39 THR H H 39 9.191 9.191 8.401 0.790 19727 2548 1 5 . 1 1 40 40 ILE N N 40 128.371 128.371 123.295 5.076 19727 2549 1 5 . 1 1 40 40 ILE HA H 40 4.860 4.860 4.718 0.142 19727 2550 1 5 . 1 1 40 40 ILE CA C 40 61.570 61.570 58.480 3.090 19727 2551 1 5 . 1 1 40 40 ILE CB C 40 40.060 40.060 38.952 1.108 19727 2552 1 5 . 1 1 40 40 ILE H H 40 8.531 8.531 9.049 -0.518 19727 2553 1 5 . 1 1 41 41 THR N N 41 120.285 120.285 122.115 -1.830 19727 2554 1 5 . 1 1 41 41 THR HA H 41 4.510 4.510 5.112 -0.602 19727 2555 1 5 . 1 1 41 41 THR CA C 41 60.930 60.930 60.748 0.181 19727 2556 1 5 . 1 1 41 41 THR CB C 41 71.450 71.450 71.608 -0.158 19727 2557 1 5 . 1 1 41 41 THR H H 41 8.624 8.624 8.221 0.403 19727 2558 1 5 . 1 1 42 42 GLN N N 42 126.369 126.369 122.684 3.685 19727 2559 1 5 . 1 1 42 42 GLN CA C 42 54.400 54.400 55.694 -1.294 19727 2560 1 5 . 1 1 42 42 GLN CB C 42 30.560 30.560 30.791 -0.231 19727 2561 1 5 . 1 1 42 42 GLN H H 42 9.050 9.050 8.837 0.213 19727 2562 1 5 . 1 1 43 43 GLU N N 43 128.036 128.036 125.931 2.105 19727 2563 1 5 . 1 1 43 43 GLU HA H 43 4.400 4.400 4.514 -0.114 19727 2564 1 5 . 1 1 43 43 GLU CA C 43 55.020 55.020 56.405 -1.385 19727 2565 1 5 . 1 1 43 43 GLU CB C 43 31.630 31.630 31.726 -0.096 19727 2566 1 5 . 1 1 43 43 GLU H H 43 8.807 8.807 8.771 0.036 19727 2567 1 5 . 1 1 44 44 GLY N N 44 117.000 117.000 114.043 2.957 19727 2568 1 5 . 1 1 44 44 GLY CA C 44 47.460 47.460 46.758 0.702 19727 2569 1 5 . 1 1 44 44 GLY H H 44 9.060 9.060 8.433 0.627 19727 2570 1 5 . 1 1 45 45 ASN N N 45 124.910 124.910 121.515 3.395 19727 2571 1 5 . 1 1 45 45 ASN HA H 45 4.830 4.830 4.598 0.232 19727 2572 1 5 . 1 1 45 45 ASN CA C 45 53.040 53.040 52.443 0.597 19727 2573 1 5 . 1 1 45 45 ASN CB C 45 39.050 39.050 38.040 1.010 19727 2574 1 5 . 1 1 45 45 ASN H H 45 8.769 8.769 8.515 0.254 19727 2575 1 5 . 1 1 46 46 LYS N N 46 120.293 120.293 119.178 1.115 19727 2576 1 5 . 1 1 46 46 LYS HA H 46 4.890 4.890 4.837 0.053 19727 2577 1 5 . 1 1 46 46 LYS CA C 46 55.760 55.760 55.028 0.732 19727 2578 1 5 . 1 1 46 46 LYS CB C 46 34.610 34.610 35.931 -1.321 19727 2579 1 5 . 1 1 46 46 LYS H H 46 7.873 7.873 7.850 0.023 19727 2580 1 5 . 1 1 47 47 PHE N N 47 127.531 127.531 116.293 11.238 19727 2581 1 5 . 1 1 47 47 PHE HA H 47 4.700 4.700 5.287 -0.587 19727 2582 1 5 . 1 1 47 47 PHE CA C 47 56.450 56.450 55.115 1.335 19727 2583 1 5 . 1 1 47 47 PHE CB C 47 43.050 43.050 44.038 -0.988 19727 2584 1 5 . 1 1 47 47 PHE H H 47 9.130 9.130 9.307 -0.177 19727 2585 1 5 . 1 1 48 48 THR N N 48 115.162 115.162 117.306 -2.144 19727 2586 1 5 . 1 1 48 48 THR HA H 48 4.770 4.770 4.661 0.109 19727 2587 1 5 . 1 1 48 48 THR CA C 48 62.090 62.090 61.588 0.502 19727 2588 1 5 . 1 1 48 48 THR CB C 48 70.280 70.280 70.371 -0.091 19727 2589 1 5 . 1 1 48 48 THR H H 48 8.318 8.318 8.445 -0.127 19727 2590 1 5 . 1 1 49 49 VAL N N 49 127.272 127.272 127.163 0.109 19727 2591 1 5 . 1 1 49 49 VAL HA H 49 4.840 4.840 4.487 0.353 19727 2592 1 5 . 1 1 49 49 VAL CA C 49 61.110 61.110 61.327 -0.217 19727 2593 1 5 . 1 1 49 49 VAL CB C 49 34.330 34.330 32.763 1.567 19727 2594 1 5 . 1 1 49 49 VAL H H 49 9.580 9.580 9.005 0.575 19727 2595 1 5 . 1 1 50 50 LYS N N 50 127.439 127.439 128.849 -1.410 19727 2596 1 5 . 1 1 50 50 LYS HA H 50 4.993 4.993 4.617 0.376 19727 2597 1 5 . 1 1 50 50 LYS CA C 50 55.500 55.500 55.364 0.136 19727 2598 1 5 . 1 1 50 50 LYS CB C 50 33.320 33.320 34.506 -1.186 19727 2599 1 5 . 1 1 50 50 LYS H H 50 9.175 9.175 8.829 0.346 19727 2600 1 5 . 1 1 51 51 GLU N N 51 128.140 128.140 126.131 2.009 19727 2601 1 5 . 1 1 51 51 GLU HA H 51 5.090 5.090 5.497 -0.407 19727 2602 1 5 . 1 1 51 51 GLU CA C 51 55.160 55.160 54.379 0.781 19727 2603 1 5 . 1 1 51 51 GLU CB C 51 31.450 31.450 33.005 -1.555 19727 2604 1 5 . 1 1 51 51 GLU H H 51 9.173 9.173 8.989 0.184 19727 2605 1 5 . 1 1 52 52 SER N N 52 120.997 120.997 119.624 1.373 19727 2606 1 5 . 1 1 52 52 SER CA C 52 56.630 56.630 57.896 -1.266 19727 2607 1 5 . 1 1 52 52 SER CB C 52 65.290 65.290 66.748 -1.458 19727 2608 1 5 . 1 1 52 52 SER H H 52 9.015 9.015 8.340 0.675 19727 2609 1 5 . 1 1 53 53 SER N N 53 117.567 117.567 118.336 -0.769 19727 2610 1 5 . 1 1 53 53 SER CA C 53 56.780 56.780 57.601 -0.821 19727 2611 1 5 . 1 1 53 53 SER CB C 53 68.320 68.320 65.910 2.410 19727 2612 1 5 . 1 1 53 53 SER H H 53 9.013 9.013 8.077 0.936 19727 2613 1 5 . 1 1 54 54 ALA N N 54 119.830 119.830 123.894 -4.064 19727 2614 1 5 . 1 1 54 54 ALA HA H 54 4.030 4.030 4.498 -0.468 19727 2615 1 5 . 1 1 54 54 ALA CA C 54 54.030 54.030 54.217 -0.187 19727 2616 1 5 . 1 1 54 54 ALA CB C 54 18.380 18.380 19.163 -0.783 19727 2617 1 5 . 1 1 54 54 ALA H H 54 9.009 9.009 8.803 0.206 19727 2618 1 5 . 1 1 55 55 PHE N N 55 112.640 112.640 116.740 -4.100 19727 2619 1 5 . 1 1 55 55 PHE H H 55 8.050 8.050 8.290 -0.240 19727 2620 1 5 . 1 1 57 57 ASN N N 57 119.170 119.170 118.360 0.810 19727 2621 1 5 . 1 1 57 57 ASN HA H 57 5.840 5.840 5.074 0.766 19727 2622 1 5 . 1 1 57 57 ASN CA C 57 53.190 53.190 52.490 0.700 19727 2623 1 5 . 1 1 57 57 ASN CB C 57 40.990 40.990 41.040 -0.050 19727 2624 1 5 . 1 1 57 57 ASN H H 57 8.487 8.487 8.459 0.028 19727 2625 1 5 . 1 1 58 58 ILE N N 58 117.653 117.653 122.041 -4.388 19727 2626 1 5 . 1 1 58 58 ILE HA H 58 4.860 4.860 4.513 0.347 19727 2627 1 5 . 1 1 58 58 ILE CA C 58 60.150 60.150 59.603 0.547 19727 2628 1 5 . 1 1 58 58 ILE CB C 58 43.590 43.590 41.985 1.605 19727 2629 1 5 . 1 1 58 58 ILE H H 58 8.803 8.803 8.244 0.559 19727 2630 1 5 . 1 1 59 59 GLU N N 59 123.376 123.376 122.869 0.507 19727 2631 1 5 . 1 1 59 59 GLU HA H 59 5.260 5.260 4.998 0.262 19727 2632 1 5 . 1 1 59 59 GLU CA C 59 60.170 60.170 55.716 4.454 19727 2633 1 5 . 1 1 59 59 GLU CB C 59 32.900 32.900 33.364 -0.464 19727 2634 1 5 . 1 1 59 59 GLU H H 59 8.519 8.519 8.340 0.179 19727 2635 1 5 . 1 1 60 60 VAL N N 60 127.157 127.157 123.382 3.775 19727 2636 1 5 . 1 1 60 60 VAL HA H 60 4.460 4.460 4.130 0.330 19727 2637 1 5 . 1 1 60 60 VAL CA C 60 61.730 61.730 61.637 0.093 19727 2638 1 5 . 1 1 60 60 VAL CB C 60 35.030 35.030 35.520 -0.490 19727 2639 1 5 . 1 1 60 60 VAL H H 60 9.227 9.227 9.096 0.131 19727 2640 1 5 . 1 1 61 61 VAL N N 61 125.109 125.109 128.327 -3.218 19727 2641 1 5 . 1 1 61 61 VAL HA H 61 5.160 5.160 4.218 0.942 19727 2642 1 5 . 1 1 61 61 VAL CA C 61 60.350 60.350 61.667 -1.317 19727 2643 1 5 . 1 1 61 61 VAL CB C 61 34.600 34.600 32.940 1.660 19727 2644 1 5 . 1 1 61 61 VAL H H 61 8.179 8.179 7.990 0.189 19727 2645 1 5 . 1 1 62 62 PHE N N 62 121.713 121.713 124.423 -2.710 19727 2646 1 5 . 1 1 62 62 PHE HA H 62 4.840 4.840 4.965 -0.125 19727 2647 1 5 . 1 1 62 62 PHE CA C 62 55.320 55.320 56.662 -1.342 19727 2648 1 5 . 1 1 62 62 PHE CB C 62 41.060 41.060 43.736 -2.676 19727 2649 1 5 . 1 1 62 62 PHE H H 62 8.432 8.432 9.213 -0.781 19727 2650 1 5 . 1 1 63 63 GLU N N 63 119.775 119.775 121.186 -1.411 19727 2651 1 5 . 1 1 63 63 GLU HA H 63 5.330 5.330 4.584 0.746 19727 2652 1 5 . 1 1 63 63 GLU CA C 63 53.700 53.700 54.847 -1.147 19727 2653 1 5 . 1 1 63 63 GLU CB C 63 32.720 32.720 33.913 -1.193 19727 2654 1 5 . 1 1 63 63 GLU H H 63 9.386 9.386 8.956 0.430 19727 2655 1 5 . 1 1 64 64 LEU N N 64 124.568 124.568 125.092 -0.524 19727 2656 1 5 . 1 1 64 64 LEU HA H 64 4.530 4.530 3.914 0.616 19727 2657 1 5 . 1 1 64 64 LEU CA C 64 56.770 56.770 55.975 0.795 19727 2658 1 5 . 1 1 64 64 LEU CB C 64 41.390 41.390 40.616 0.774 19727 2659 1 5 . 1 1 64 64 LEU H H 64 8.834 8.834 8.385 0.449 19727 2660 1 5 . 1 1 65 65 GLY N N 65 108.336 108.336 112.621 -4.285 19727 2661 1 5 . 1 1 65 65 GLY CA C 65 46.210 46.210 44.861 1.349 19727 2662 1 5 . 1 1 65 65 GLY H H 65 9.299 9.299 8.889 0.410 19727 2663 1 5 . 1 1 66 66 VAL N N 66 121.972 121.972 119.194 2.778 19727 2664 1 5 . 1 1 66 66 VAL HA H 66 4.380 4.380 4.339 0.041 19727 2665 1 5 . 1 1 66 66 VAL CA C 66 62.660 62.660 59.998 2.663 19727 2666 1 5 . 1 1 66 66 VAL CB C 66 32.900 32.900 34.932 -2.032 19727 2667 1 5 . 1 1 66 66 VAL H H 66 7.905 7.905 7.634 0.271 19727 2668 1 5 . 1 1 67 67 THR N N 67 129.168 129.168 122.235 6.933 19727 2669 1 5 . 1 1 67 67 THR HA H 67 4.390 4.390 4.350 0.040 19727 2670 1 5 . 1 1 67 67 THR CA C 67 64.580 64.580 63.984 0.596 19727 2671 1 5 . 1 1 67 67 THR CB C 67 69.140 69.140 69.604 -0.464 19727 2672 1 5 . 1 1 67 67 THR H H 67 8.784 8.784 8.482 0.302 19727 2673 1 5 . 1 1 68 68 PHE N N 68 126.387 126.387 124.156 2.231 19727 2674 1 5 . 1 1 68 68 PHE HA H 68 5.120 5.120 4.344 0.776 19727 2675 1 5 . 1 1 68 68 PHE CA C 68 56.240 56.240 57.992 -1.752 19727 2676 1 5 . 1 1 68 68 PHE CB C 68 41.980 41.980 40.479 1.501 19727 2677 1 5 . 1 1 68 68 PHE H H 68 9.687 9.687 8.470 1.217 19727 2678 1 5 . 1 1 69 69 ASN N N 69 116.298 116.298 119.248 -2.950 19727 2679 1 5 . 1 1 69 69 ASN HA H 69 5.340 5.340 5.293 0.047 19727 2680 1 5 . 1 1 69 69 ASN CA C 69 51.630 51.630 53.249 -1.619 19727 2681 1 5 . 1 1 69 69 ASN CB C 69 40.640 40.640 42.503 -1.863 19727 2682 1 5 . 1 1 69 69 ASN H H 69 8.370 8.370 8.811 -0.441 19727 2683 1 5 . 1 1 70 70 TYR N N 70 120.913 120.913 120.940 -0.027 19727 2684 1 5 . 1 1 70 70 TYR H H 70 8.655 8.655 8.330 0.325 19727 2685 1 5 . 1 1 73 73 ALA HA H 73 3.760 3.760 4.065 -0.305 19727 2686 1 5 . 1 1 73 73 ALA CA C 73 53.600 53.600 54.426 -0.826 19727 2687 1 5 . 1 1 73 73 ALA CB C 73 17.960 17.960 18.680 -0.720 19727 2688 1 5 . 1 1 74 74 ASP N N 74 113.641 113.641 118.798 -5.157 19727 2689 1 5 . 1 1 74 74 ASP CA C 74 52.960 52.960 53.752 -0.792 19727 2690 1 5 . 1 1 74 74 ASP CB C 74 39.210 39.210 40.373 -1.163 19727 2691 1 5 . 1 1 74 74 ASP H H 74 8.575 8.575 8.158 0.417 19727 2692 1 5 . 1 1 75 75 GLY N N 75 107.874 107.874 110.245 -2.371 19727 2693 1 5 . 1 1 75 75 GLY CA C 75 44.800 44.800 45.706 -0.906 19727 2694 1 5 . 1 1 75 75 GLY H H 75 7.745 7.745 8.130 -0.385 19727 2695 1 5 . 1 1 76 76 THR N N 76 119.192 119.192 114.271 4.921 19727 2696 1 5 . 1 1 76 76 THR CA C 76 64.980 64.980 63.063 1.917 19727 2697 1 5 . 1 1 76 76 THR CB C 76 68.240 68.240 69.049 -0.809 19727 2698 1 5 . 1 1 76 76 THR H H 76 7.724 7.724 7.584 0.140 19727 2699 1 5 . 1 1 77 77 GLU N N 77 128.678 128.678 123.485 5.193 19727 2700 1 5 . 1 1 77 77 GLU CA C 77 56.450 56.450 57.361 -0.911 19727 2701 1 5 . 1 1 77 77 GLU CB C 77 31.500 31.500 30.880 0.620 19727 2702 1 5 . 1 1 77 77 GLU H H 77 8.468 8.468 8.712 -0.244 19727 2703 1 5 . 1 1 78 78 LEU N N 78 124.431 124.431 124.374 0.057 19727 2704 1 5 . 1 1 78 78 LEU HA H 78 5.130 5.130 4.700 0.430 19727 2705 1 5 . 1 1 78 78 LEU CA C 78 53.230 53.230 54.909 -1.679 19727 2706 1 5 . 1 1 78 78 LEU CB C 78 45.400 45.400 44.945 0.455 19727 2707 1 5 . 1 1 78 78 LEU H H 78 8.875 8.875 8.386 0.489 19727 2708 1 5 . 1 1 79 79 ARG HA H 79 5.390 5.390 5.299 0.091 19727 2709 1 5 . 1 1 79 79 ARG CA C 79 54.560 54.560 54.942 -0.382 19727 2710 1 5 . 1 1 79 79 ARG CB C 79 33.860 33.860 33.369 0.491 19727 2711 1 5 . 1 1 80 80 GLY N N 80 115.450 115.450 112.424 3.026 19727 2712 1 5 . 1 1 80 80 GLY CA C 80 46.730 46.730 45.210 1.520 19727 2713 1 5 . 1 1 80 80 GLY H H 80 9.026 9.026 8.485 0.541 19727 2714 1 5 . 1 1 81 81 THR N N 81 106.379 106.379 110.605 -4.226 19727 2715 1 5 . 1 1 81 81 THR HA H 81 4.680 4.680 4.782 -0.102 19727 2716 1 5 . 1 1 81 81 THR CA C 81 59.010 59.010 60.641 -1.631 19727 2717 1 5 . 1 1 81 81 THR CB C 81 73.140 73.140 71.283 1.857 19727 2718 1 5 . 1 1 81 81 THR H H 81 6.937 6.937 7.722 -0.785 19727 2719 1 5 . 1 1 82 82 TRP N N 82 120.025 120.025 121.589 -1.564 19727 2720 1 5 . 1 1 82 82 TRP HA H 82 5.350 5.350 4.823 0.527 19727 2721 1 5 . 1 1 82 82 TRP CA C 82 56.400 56.400 55.778 0.622 19727 2722 1 5 . 1 1 82 82 TRP CB C 82 33.630 33.630 32.471 1.159 19727 2723 1 5 . 1 1 82 82 TRP H H 82 9.126 9.126 8.098 1.028 19727 2724 1 5 . 1 1 83 83 SER N N 83 115.180 115.180 121.494 -6.314 19727 2725 1 5 . 1 1 83 83 SER HA H 83 5.490 5.490 4.587 0.903 19727 2726 1 5 . 1 1 83 83 SER CA C 83 57.080 57.080 57.052 0.028 19727 2727 1 5 . 1 1 83 83 SER CB C 83 65.680 65.680 65.666 0.014 19727 2728 1 5 . 1 1 83 83 SER H H 83 9.045 9.045 8.794 0.251 19727 2729 1 5 . 1 1 84 84 LEU N N 84 125.420 125.420 126.959 -1.539 19727 2730 1 5 . 1 1 84 84 LEU HA H 84 5.200 5.200 4.708 0.491 19727 2731 1 5 . 1 1 84 84 LEU CA C 84 54.600 54.600 54.537 0.063 19727 2732 1 5 . 1 1 84 84 LEU CB C 84 45.130 45.130 43.866 1.264 19727 2733 1 5 . 1 1 84 84 LEU H H 84 8.889 8.889 8.546 0.343 19727 2734 1 5 . 1 1 85 85 GLU N N 85 127.397 127.397 124.468 2.929 19727 2735 1 5 . 1 1 85 85 GLU HA H 85 4.610 4.610 4.566 0.044 19727 2736 1 5 . 1 1 85 85 GLU CA C 85 55.310 55.310 55.214 0.096 19727 2737 1 5 . 1 1 85 85 GLU CB C 85 31.470 31.470 30.120 1.349 19727 2738 1 5 . 1 1 85 85 GLU H H 85 8.964 8.964 9.114 -0.150 19727 2739 1 5 . 1 1 86 86 GLY N N 86 117.395 117.395 116.236 1.159 19727 2740 1 5 . 1 1 86 86 GLY CA C 86 47.580 47.580 47.131 0.449 19727 2741 1 5 . 1 1 86 86 GLY H H 86 9.039 9.039 8.783 0.256 19727 2742 1 5 . 1 1 87 87 ASN N N 87 122.457 122.457 123.713 -1.256 19727 2743 1 5 . 1 1 87 87 ASN HA H 87 4.820 4.820 4.985 -0.165 19727 2744 1 5 . 1 1 87 87 ASN CA C 87 53.170 53.170 53.014 0.156 19727 2745 1 5 . 1 1 87 87 ASN CB C 87 38.800 38.800 39.658 -0.858 19727 2746 1 5 . 1 1 87 87 ASN H H 87 8.765 8.765 8.618 0.147 19727 2747 1 5 . 1 1 88 88 LYS N N 88 117.971 117.971 119.593 -1.622 19727 2748 1 5 . 1 1 88 88 LYS HA H 88 4.960 4.960 5.131 -0.171 19727 2749 1 5 . 1 1 88 88 LYS CA C 88 56.000 56.000 55.508 0.492 19727 2750 1 5 . 1 1 88 88 LYS CB C 88 35.580 35.580 35.807 -0.227 19727 2751 1 5 . 1 1 88 88 LYS H H 88 7.986 7.986 7.684 0.302 19727 2752 1 5 . 1 1 89 89 LEU N N 89 122.876 122.876 123.166 -0.290 19727 2753 1 5 . 1 1 89 89 LEU HA H 89 5.010 5.010 4.733 0.277 19727 2754 1 5 . 1 1 89 89 LEU CA C 89 53.450 53.450 54.345 -0.895 19727 2755 1 5 . 1 1 89 89 LEU CB C 89 43.856 43.856 43.293 0.563 19727 2756 1 5 . 1 1 89 89 LEU H H 89 8.622 8.622 8.745 -0.123 19727 2757 1 5 . 1 1 90 90 ILE N N 90 124.780 124.780 123.224 1.556 19727 2758 1 5 . 1 1 90 90 ILE HA H 90 4.600 4.600 4.996 -0.396 19727 2759 1 5 . 1 1 90 90 ILE CA C 90 60.250 60.250 60.050 0.200 19727 2760 1 5 . 1 1 90 90 ILE CB C 90 38.760 38.760 38.469 0.291 19727 2761 1 5 . 1 1 90 90 ILE H H 90 9.589 9.589 9.008 0.581 19727 2762 1 5 . 1 1 91 91 GLY N N 91 121.700 121.700 115.241 6.459 19727 2763 1 5 . 1 1 91 91 GLY CA C 91 44.680 44.680 43.196 1.484 19727 2764 1 5 . 1 1 91 91 GLY H H 91 9.620 9.620 8.642 0.978 19727 2765 1 5 . 1 1 92 92 LYS N N 92 127.600 127.600 118.004 9.596 19727 2766 1 5 . 1 1 92 92 LYS HA H 92 4.710 4.710 4.776 -0.066 19727 2767 1 5 . 1 1 92 92 LYS CA C 92 55.450 55.450 55.296 0.154 19727 2768 1 5 . 1 1 92 92 LYS CB C 92 33.530 33.530 37.149 -3.619 19727 2769 1 5 . 1 1 92 92 LYS H H 92 7.730 7.730 8.112 -0.382 19727 2770 1 5 . 1 1 93 93 PHE N N 93 122.003 122.003 120.633 1.370 19727 2771 1 5 . 1 1 93 93 PHE HA H 93 5.200 5.200 4.912 0.288 19727 2772 1 5 . 1 1 93 93 PHE CA C 93 55.960 55.960 56.925 -0.965 19727 2773 1 5 . 1 1 93 93 PHE CB C 93 44.350 44.350 44.350 -0.000 19727 2774 1 5 . 1 1 93 93 PHE H H 93 8.443 8.443 8.344 0.099 19727 2775 1 5 . 1 1 94 94 LYS N N 94 119.319 119.319 119.052 0.267 19727 2776 1 5 . 1 1 94 94 LYS HA H 94 5.050 5.050 5.312 -0.262 19727 2777 1 5 . 1 1 94 94 LYS CA C 94 55.150 55.150 55.131 0.019 19727 2778 1 5 . 1 1 94 94 LYS CB C 94 36.180 36.180 35.553 0.627 19727 2779 1 5 . 1 1 94 94 LYS H H 94 8.803 8.803 8.650 0.153 19727 2780 1 5 . 1 1 95 95 ARG N N 95 122.142 122.142 127.765 -5.623 19727 2781 1 5 . 1 1 95 95 ARG HA H 95 4.760 4.760 4.737 0.023 19727 2782 1 5 . 1 1 95 95 ARG CA C 95 56.030 56.030 56.775 -0.745 19727 2783 1 5 . 1 1 95 95 ARG CB C 95 31.720 31.720 30.909 0.811 19727 2784 1 5 . 1 1 95 95 ARG H H 95 8.738 8.738 8.441 0.297 19727 2785 1 5 . 1 1 96 96 THR N N 96 117.210 117.210 119.692 -2.482 19727 2786 1 5 . 1 1 96 96 THR HA H 96 4.060 4.060 4.098 -0.038 19727 2787 1 5 . 1 1 96 96 THR CA C 96 64.140 64.140 65.854 -1.714 19727 2788 1 5 . 1 1 96 96 THR CB C 96 68.570 68.570 68.779 -0.209 19727 2789 1 5 . 1 1 96 96 THR H H 96 8.520 8.520 8.721 -0.201 19727 2790 1 5 . 1 1 97 97 ASP N N 97 120.647 120.647 118.668 1.979 19727 2791 1 5 . 1 1 97 97 ASP HA H 97 4.330 4.330 4.425 -0.095 19727 2792 1 5 . 1 1 97 97 ASP CA C 97 56.200 56.200 56.346 -0.146 19727 2793 1 5 . 1 1 97 97 ASP CB C 97 38.860 38.860 41.130 -2.270 19727 2794 1 5 . 1 1 97 97 ASP H H 97 8.932 8.932 8.388 0.544 19727 2795 1 5 . 1 1 98 98 ASN N N 98 116.362 116.362 113.790 2.572 19727 2796 1 5 . 1 1 98 98 ASN HA H 98 4.750 4.750 4.694 0.056 19727 2797 1 5 . 1 1 98 98 ASN CA C 98 51.640 51.640 53.815 -2.175 19727 2798 1 5 . 1 1 98 98 ASN CB C 98 39.340 39.340 40.594 -1.254 19727 2799 1 5 . 1 1 98 98 ASN H H 98 8.614 8.614 7.870 0.744 19727 2800 1 5 . 1 1 99 99 GLY N N 99 107.794 107.794 109.458 -1.664 19727 2801 1 5 . 1 1 99 99 GLY CA C 99 46.300 46.300 45.017 1.283 19727 2802 1 5 . 1 1 99 99 GLY H H 99 7.811 7.811 8.060 -0.249 19727 2803 1 5 . 1 1 100 100 ASN N N 100 118.972 118.972 119.795 -0.823 19727 2804 1 5 . 1 1 100 100 ASN HA H 100 4.690 4.690 4.565 0.125 19727 2805 1 5 . 1 1 100 100 ASN CA C 100 53.210 53.210 53.825 -0.615 19727 2806 1 5 . 1 1 100 100 ASN CB C 100 38.970 38.970 40.201 -1.231 19727 2807 1 5 . 1 1 100 100 ASN H H 100 8.416 8.416 8.063 0.353 19727 2808 1 5 . 1 1 101 101 GLU N N 101 119.642 119.642 121.799 -2.157 19727 2809 1 5 . 1 1 101 101 GLU HA H 101 4.790 4.790 4.320 0.470 19727 2810 1 5 . 1 1 101 101 GLU CA C 101 57.020 57.020 57.177 -0.157 19727 2811 1 5 . 1 1 101 101 GLU CB C 101 31.970 31.970 30.610 1.361 19727 2812 1 5 . 1 1 101 101 GLU H H 101 8.730 8.730 8.224 0.506 19727 2813 1 5 . 1 1 102 102 LEU N N 102 125.033 125.033 127.083 -2.050 19727 2814 1 5 . 1 1 102 102 LEU HA H 102 5.200 5.200 5.311 -0.111 19727 2815 1 5 . 1 1 102 102 LEU CA C 102 55.260 55.260 53.252 2.009 19727 2816 1 5 . 1 1 102 102 LEU CB C 102 45.870 45.870 45.283 0.587 19727 2817 1 5 . 1 1 102 102 LEU H H 102 8.908 8.908 8.031 0.877 19727 2818 1 5 . 1 1 103 103 ASN N N 103 123.919 123.919 126.899 -2.980 19727 2819 1 5 . 1 1 103 103 ASN HA H 103 5.670 5.670 5.222 0.448 19727 2820 1 5 . 1 1 103 103 ASN CA C 103 52.150 52.150 52.348 -0.198 19727 2821 1 5 . 1 1 103 103 ASN CB C 103 41.970 41.970 41.859 0.111 19727 2822 1 5 . 1 1 103 103 ASN H H 103 8.452 8.452 9.688 -1.236 19727 2823 1 5 . 1 1 104 104 THR N N 104 117.100 117.100 114.230 2.870 19727 2824 1 5 . 1 1 104 104 THR HA H 104 5.530 5.530 4.398 1.132 19727 2825 1 5 . 1 1 104 104 THR CA C 104 58.550 58.550 61.093 -2.543 19727 2826 1 5 . 1 1 104 104 THR CB C 104 70.450 70.450 70.129 0.321 19727 2827 1 5 . 1 1 104 104 THR H H 104 9.050 9.050 8.449 0.601 19727 2828 1 5 . 1 1 105 105 VAL HA H 105 5.290 5.290 4.309 0.981 19727 2829 1 5 . 1 1 105 105 VAL CA C 105 61.070 61.070 60.679 0.391 19727 2830 1 5 . 1 1 105 105 VAL CB C 105 36.290 36.290 33.276 3.014 19727 2831 1 5 . 1 1 106 106 ARG N N 106 124.249 124.249 126.685 -2.436 19727 2832 1 5 . 1 1 106 106 ARG CA C 106 54.890 54.890 54.476 0.414 19727 2833 1 5 . 1 1 106 106 ARG CB C 106 33.890 33.890 32.613 1.277 19727 2834 1 5 . 1 1 106 106 ARG H H 106 9.466 9.466 9.166 0.300 19727 2835 1 5 . 1 1 107 107 GLU N N 107 120.784 120.784 123.070 -2.286 19727 2836 1 5 . 1 1 107 107 GLU HA H 107 4.960 4.960 4.851 0.108 19727 2837 1 5 . 1 1 107 107 GLU CA C 107 54.810 54.810 54.691 0.119 19727 2838 1 5 . 1 1 107 107 GLU CB C 107 33.800 33.800 33.985 -0.185 19727 2839 1 5 . 1 1 107 107 GLU H H 107 8.605 8.605 8.487 0.118 19727 2840 1 5 . 1 1 108 108 ILE N N 108 124.182 124.182 123.999 0.183 19727 2841 1 5 . 1 1 108 108 ILE HA H 108 4.780 4.780 4.415 0.365 19727 2842 1 5 . 1 1 108 108 ILE CA C 108 59.050 59.050 60.446 -1.396 19727 2843 1 5 . 1 1 108 108 ILE CB C 108 36.670 36.670 36.129 0.541 19727 2844 1 5 . 1 1 108 108 ILE H H 108 8.732 8.732 8.288 0.444 19727 2845 1 5 . 1 1 109 109 ILE N N 109 129.631 129.631 128.378 1.253 19727 2846 1 5 . 1 1 109 109 ILE HA H 109 4.250 4.250 4.134 0.116 19727 2847 1 5 . 1 1 109 109 ILE CA C 109 61.100 61.100 60.359 0.741 19727 2848 1 5 . 1 1 109 109 ILE CB C 109 39.290 39.290 38.778 0.513 19727 2849 1 5 . 1 1 109 109 ILE H H 109 8.903 8.903 8.012 0.891 19727 2850 1 5 . 1 1 110 110 GLY N N 110 119.473 119.473 117.284 2.189 19727 2851 1 5 . 1 1 110 110 GLY CA C 110 47.690 47.690 46.501 1.189 19727 2852 1 5 . 1 1 110 110 GLY H H 110 9.123 9.123 8.613 0.510 19727 2853 1 5 . 1 1 111 111 ASP N N 111 123.998 123.998 122.855 1.143 19727 2854 1 5 . 1 1 111 111 ASP HA H 111 4.750 4.750 4.632 0.118 19727 2855 1 5 . 1 1 111 111 ASP CA C 111 54.100 54.100 54.295 -0.195 19727 2856 1 5 . 1 1 111 111 ASP CB C 111 41.490 41.490 40.772 0.718 19727 2857 1 5 . 1 1 111 111 ASP H H 111 8.699 8.699 8.595 0.103 19727 2858 1 5 . 1 1 112 112 GLU N N 112 118.194 118.194 118.282 -0.088 19727 2859 1 5 . 1 1 112 112 GLU HA H 112 5.150 5.150 4.685 0.465 19727 2860 1 5 . 1 1 112 112 GLU CA C 112 55.560 55.560 54.851 0.709 19727 2861 1 5 . 1 1 112 112 GLU CB C 112 33.200 33.200 34.191 -0.991 19727 2862 1 5 . 1 1 112 112 GLU H H 112 7.924 7.924 8.407 -0.483 19727 2863 1 5 . 1 1 113 113 LEU N N 113 123.501 123.501 121.215 2.286 19727 2864 1 5 . 1 1 113 113 LEU HA H 113 4.400 4.400 5.145 -0.745 19727 2865 1 5 . 1 1 113 113 LEU CA C 113 54.140 54.140 54.028 0.112 19727 2866 1 5 . 1 1 113 113 LEU CB C 113 42.180 42.180 45.563 -3.383 19727 2867 1 5 . 1 1 113 113 LEU H H 113 7.851 7.851 8.270 -0.419 19727 2868 1 5 . 1 1 114 114 VAL N N 114 127.898 127.898 126.279 1.619 19727 2869 1 5 . 1 1 114 114 VAL HA H 114 4.520 4.520 4.641 -0.121 19727 2870 1 5 . 1 1 114 114 VAL CA C 114 62.290 62.290 59.864 2.426 19727 2871 1 5 . 1 1 114 114 VAL CB C 114 33.430 33.430 32.829 0.601 19727 2872 1 5 . 1 1 114 114 VAL H H 114 9.357 9.357 9.057 0.300 19727 2873 1 5 . 1 1 115 115 GLN N N 115 130.218 130.218 130.370 -0.152 19727 2874 1 5 . 1 1 115 115 GLN HA H 115 5.710 5.710 5.324 0.386 19727 2875 1 5 . 1 1 115 115 GLN CA C 115 53.930 53.930 53.919 0.011 19727 2876 1 5 . 1 1 115 115 GLN CB C 115 30.060 30.060 31.070 -1.010 19727 2877 1 5 . 1 1 115 115 GLN H H 115 9.552 9.552 9.054 0.498 19727 2878 1 5 . 1 1 116 116 THR N N 116 121.078 121.078 120.391 0.687 19727 2879 1 5 . 1 1 116 116 THR HA H 116 5.080 5.080 5.108 -0.028 19727 2880 1 5 . 1 1 116 116 THR CA C 116 61.800 61.800 60.826 0.974 19727 2881 1 5 . 1 1 116 116 THR CB C 116 70.470 70.470 69.455 1.015 19727 2882 1 5 . 1 1 116 116 THR H H 116 8.832 8.832 8.676 0.156 19727 2883 1 5 . 1 1 117 117 TYR N N 117 125.712 125.712 125.956 -0.244 19727 2884 1 5 . 1 1 117 117 TYR HA H 117 4.950 4.950 5.431 -0.481 19727 2885 1 5 . 1 1 117 117 TYR CA C 117 56.430 56.430 55.964 0.466 19727 2886 1 5 . 1 1 117 117 TYR CB C 117 42.110 42.110 41.795 0.315 19727 2887 1 5 . 1 1 117 117 TYR H H 117 9.440 9.440 9.670 -0.230 19727 2888 1 5 . 1 1 118 118 VAL N N 118 120.314 120.314 120.133 0.181 19727 2889 1 5 . 1 1 118 118 VAL HA H 118 5.350 5.350 5.011 0.339 19727 2890 1 5 . 1 1 118 118 VAL CA C 118 62.170 62.170 61.168 1.002 19727 2891 1 5 . 1 1 118 118 VAL CB C 118 34.810 34.810 35.569 -0.759 19727 2892 1 5 . 1 1 118 118 VAL H H 118 9.026 9.026 9.139 -0.113 19727 2893 1 5 . 1 1 119 119 TYR N N 119 127.564 127.564 128.141 -0.577 19727 2894 1 5 . 1 1 119 119 TYR HA H 119 4.940 4.940 5.283 -0.343 19727 2895 1 5 . 1 1 119 119 TYR CA C 119 58.170 58.170 56.913 1.257 19727 2896 1 5 . 1 1 119 119 TYR CB C 119 43.490 43.490 41.087 2.404 19727 2897 1 5 . 1 1 119 119 TYR H H 119 9.041 9.041 9.285 -0.244 19727 2898 1 5 . 1 1 120 120 GLU N N 120 125.533 125.533 128.271 -2.738 19727 2899 1 5 . 1 1 120 120 GLU HA H 120 3.430 3.430 3.680 -0.250 19727 2900 1 5 . 1 1 120 120 GLU CA C 120 56.140 56.140 57.570 -1.430 19727 2901 1 5 . 1 1 120 120 GLU CB C 120 28.400 28.400 27.111 1.289 19727 2902 1 5 . 1 1 120 120 GLU H H 120 9.509 9.509 8.729 0.780 19727 2903 1 5 . 1 1 121 121 GLY N N 121 102.076 102.076 107.446 -5.370 19727 2904 1 5 . 1 1 121 121 GLY CA C 121 45.480 45.480 45.872 -0.392 19727 2905 1 5 . 1 1 121 121 GLY H H 121 8.374 8.374 8.466 -0.092 19727 2906 1 5 . 1 1 122 122 VAL N N 122 123.797 123.797 120.770 3.027 19727 2907 1 5 . 1 1 122 122 VAL HA H 122 4.190 4.190 4.418 -0.228 19727 2908 1 5 . 1 1 122 122 VAL CA C 122 62.660 62.660 60.077 2.583 19727 2909 1 5 . 1 1 122 122 VAL CB C 122 32.980 32.980 33.208 -0.228 19727 2910 1 5 . 1 1 122 122 VAL H H 122 8.371 8.371 7.803 0.568 19727 2911 1 5 . 1 1 123 123 GLU N N 123 126.257 126.257 125.997 0.260 19727 2912 1 5 . 1 1 123 123 GLU HA H 123 5.670 5.670 5.293 0.377 19727 2913 1 5 . 1 1 123 123 GLU CA C 123 54.010 54.010 55.863 -1.853 19727 2914 1 5 . 1 1 123 123 GLU CB C 123 32.850 32.850 32.946 -0.096 19727 2915 1 5 . 1 1 123 123 GLU H H 123 8.511 8.511 8.887 -0.376 19727 2916 1 5 . 1 1 124 124 ALA N N 124 126.354 126.354 128.879 -2.525 19727 2917 1 5 . 1 1 124 124 ALA HA H 124 5.150 5.150 4.895 0.255 19727 2918 1 5 . 1 1 124 124 ALA CA C 124 50.860 50.860 50.407 0.453 19727 2919 1 5 . 1 1 124 124 ALA CB C 124 24.060 24.060 22.000 2.060 19727 2920 1 5 . 1 1 124 124 ALA H H 124 9.258 9.258 9.110 0.148 19727 2921 1 5 . 1 1 125 125 LYS N N 125 115.989 115.989 122.397 -6.408 19727 2922 1 5 . 1 1 125 125 LYS HA H 125 5.760 5.760 5.503 0.257 19727 2923 1 5 . 1 1 125 125 LYS CA C 125 55.130 55.130 54.526 0.604 19727 2924 1 5 . 1 1 125 125 LYS CB C 125 38.130 38.130 36.598 1.532 19727 2925 1 5 . 1 1 125 125 LYS H H 125 8.847 8.847 8.723 0.124 19727 2926 1 5 . 1 1 126 126 ARG N N 126 120.557 120.557 121.336 -0.779 19727 2927 1 5 . 1 1 126 126 ARG HA H 126 4.750 4.750 4.732 0.018 19727 2928 1 5 . 1 1 126 126 ARG CA C 126 56.940 56.940 55.888 1.052 19727 2929 1 5 . 1 1 126 126 ARG CB C 126 34.040 34.040 33.376 0.664 19727 2930 1 5 . 1 1 126 126 ARG H H 126 9.241 9.241 8.809 0.432 19727 2931 1 5 . 1 1 127 127 ILE N N 127 122.970 122.970 126.332 -3.362 19727 2932 1 5 . 1 1 127 127 ILE HA H 127 5.020 5.020 4.847 0.173 19727 2933 1 5 . 1 1 127 127 ILE CA C 127 61.670 61.670 59.181 2.489 19727 2934 1 5 . 1 1 127 127 ILE CB C 127 40.200 40.200 38.003 2.197 19727 2935 1 5 . 1 1 127 127 ILE H H 127 8.785 8.785 8.180 0.605 19727 2936 1 5 . 1 1 128 128 PHE N N 128 126.381 126.381 126.132 0.249 19727 2937 1 5 . 1 1 128 128 PHE HA H 128 5.260 5.260 4.888 0.372 19727 2938 1 5 . 1 1 128 128 PHE CA C 128 56.050 56.050 56.387 -0.337 19727 2939 1 5 . 1 1 128 128 PHE CB C 128 42.730 42.730 43.403 -0.673 19727 2940 1 5 . 1 1 128 128 PHE H H 128 10.070 10.070 8.452 1.618 19727 2941 1 5 . 1 1 129 129 LYS N N 129 118.294 118.294 121.650 -3.356 19727 2942 1 5 . 1 1 129 129 LYS HA H 129 5.310 5.310 4.197 1.113 19727 2943 1 5 . 1 1 129 129 LYS CA C 129 54.740 54.740 54.100 0.640 19727 2944 1 5 . 1 1 129 129 LYS CB C 129 37.070 37.070 36.522 0.548 19727 2945 1 5 . 1 1 129 129 LYS H H 129 8.866 8.866 7.186 1.680 19727 2946 1 5 . 1 1 130 130 LYS N N 130 123.147 123.147 118.933 4.214 19727 2947 1 5 . 1 1 130 130 LYS HA H 130 4.090 4.090 4.323 -0.233 19727 2948 1 5 . 1 1 130 130 LYS CA C 130 57.790 57.790 54.171 3.619 19727 2949 1 5 . 1 1 130 130 LYS CB C 130 33.020 33.020 34.287 -1.267 19727 2950 1 5 . 1 1 130 130 LYS H H 130 9.057 9.057 8.013 1.044 19727 2951 1 6 . 1 1 2 2 PHE N N 2 113.067 113.067 119.538 -6.471 19727 2952 1 6 . 1 1 2 2 PHE HA H 2 4.440 4.440 4.769 -0.329 19727 2953 1 6 . 1 1 2 2 PHE CA C 2 59.610 59.610 58.818 0.792 19727 2954 1 6 . 1 1 2 2 PHE CB C 2 39.760 39.760 39.464 0.296 19727 2955 1 6 . 1 1 2 2 PHE H H 2 8.270 8.270 8.341 -0.071 19727 2956 1 6 . 1 1 3 3 ASP N N 3 118.589 118.589 120.323 -1.734 19727 2957 1 6 . 1 1 3 3 ASP HA H 3 4.890 4.890 4.534 0.356 19727 2958 1 6 . 1 1 3 3 ASP CA C 3 55.030 55.030 55.941 -0.911 19727 2959 1 6 . 1 1 3 3 ASP CB C 3 39.460 39.460 40.198 -0.738 19727 2960 1 6 . 1 1 3 3 ASP H H 3 7.554 7.554 8.489 -0.935 19727 2961 1 6 . 1 1 4 4 SER N N 4 120.654 120.654 117.797 2.857 19727 2962 1 6 . 1 1 4 4 SER HA H 4 4.250 4.250 4.701 -0.451 19727 2963 1 6 . 1 1 4 4 SER CA C 4 59.530 59.530 58.246 1.284 19727 2964 1 6 . 1 1 4 4 SER CB C 4 65.300 65.300 65.093 0.207 19727 2965 1 6 . 1 1 4 4 SER H H 4 8.250 8.250 8.714 -0.464 19727 2966 1 6 . 1 1 5 5 THR N N 5 115.812 115.812 120.076 -4.264 19727 2967 1 6 . 1 1 5 5 THR HA H 5 5.160 5.160 4.759 0.401 19727 2968 1 6 . 1 1 5 5 THR CA C 5 63.480 63.480 63.070 0.410 19727 2969 1 6 . 1 1 5 5 THR CB C 5 69.630 69.630 68.980 0.650 19727 2970 1 6 . 1 1 5 5 THR H H 5 8.041 8.041 8.783 -0.742 19727 2971 1 6 . 1 1 6 6 TRP N N 6 128.256 128.256 128.270 -0.014 19727 2972 1 6 . 1 1 6 6 TRP HA H 6 5.240 5.240 5.326 -0.086 19727 2973 1 6 . 1 1 6 6 TRP CA C 6 55.770 55.770 55.475 0.295 19727 2974 1 6 . 1 1 6 6 TRP CB C 6 32.800 32.800 31.279 1.520 19727 2975 1 6 . 1 1 6 6 TRP H H 6 9.514 9.514 8.990 0.524 19727 2976 1 6 . 1 1 7 7 LYS N N 7 122.895 122.895 122.779 0.116 19727 2977 1 6 . 1 1 7 7 LYS HA H 7 5.490 5.490 4.978 0.512 19727 2978 1 6 . 1 1 7 7 LYS CA C 7 54.680 54.680 54.958 -0.278 19727 2979 1 6 . 1 1 7 7 LYS CB C 7 35.840 35.840 34.707 1.133 19727 2980 1 6 . 1 1 7 7 LYS H H 7 9.954 9.954 8.782 1.172 19727 2981 1 6 . 1 1 8 8 VAL N N 8 128.078 128.078 125.677 2.401 19727 2982 1 6 . 1 1 8 8 VAL HA H 8 3.280 3.280 4.071 -0.791 19727 2983 1 6 . 1 1 8 8 VAL CA C 8 64.810 64.810 64.287 0.523 19727 2984 1 6 . 1 1 8 8 VAL CB C 8 31.790 31.790 33.128 -1.338 19727 2985 1 6 . 1 1 8 8 VAL H H 8 8.780 8.780 8.139 0.641 19727 2986 1 6 . 1 1 9 9 ASP N N 9 127.565 127.565 129.054 -1.489 19727 2987 1 6 . 1 1 9 9 ASP HA H 9 4.930 4.930 4.673 0.257 19727 2988 1 6 . 1 1 9 9 ASP CA C 9 55.750 55.750 56.409 -0.659 19727 2989 1 6 . 1 1 9 9 ASP CB C 9 46.830 46.830 42.501 4.329 19727 2990 1 6 . 1 1 9 9 ASP H H 9 9.712 9.712 8.284 1.428 19727 2991 1 6 . 1 1 10 10 ARG N N 10 112.578 112.578 115.246 -2.668 19727 2992 1 6 . 1 1 10 10 ARG HA H 10 4.740 4.740 4.634 0.106 19727 2993 1 6 . 1 1 10 10 ARG CA C 10 55.200 55.200 53.846 1.354 19727 2994 1 6 . 1 1 10 10 ARG CB C 10 31.470 31.470 33.727 -2.257 19727 2995 1 6 . 1 1 10 10 ARG H H 10 7.823 7.823 7.691 0.132 19727 2996 1 6 . 1 1 11 11 SER N N 11 113.123 113.123 114.348 -1.225 19727 2997 1 6 . 1 1 11 11 SER HA H 11 5.270 5.270 4.990 0.280 19727 2998 1 6 . 1 1 11 11 SER CA C 11 57.490 57.490 56.642 0.848 19727 2999 1 6 . 1 1 11 11 SER CB C 11 66.620 66.620 66.588 0.032 19727 3000 1 6 . 1 1 11 11 SER H H 11 8.602 8.602 7.936 0.666 19727 3001 1 6 . 1 1 12 12 GLU N N 12 121.867 121.867 121.087 0.780 19727 3002 1 6 . 1 1 12 12 GLU HA H 12 4.760 4.760 4.620 0.140 19727 3003 1 6 . 1 1 12 12 GLU CA C 12 55.420 55.420 56.273 -0.853 19727 3004 1 6 . 1 1 12 12 GLU CB C 12 33.060 33.060 32.539 0.520 19727 3005 1 6 . 1 1 12 12 GLU H H 12 9.447 9.447 8.511 0.936 19727 3006 1 6 . 1 1 13 13 ASN N N 13 121.822 121.822 121.875 -0.053 19727 3007 1 6 . 1 1 13 13 ASN HA H 13 4.720 4.720 4.372 0.348 19727 3008 1 6 . 1 1 13 13 ASN CA C 13 54.200 54.200 54.800 -0.600 19727 3009 1 6 . 1 1 13 13 ASN CB C 13 39.870 39.870 38.149 1.721 19727 3010 1 6 . 1 1 13 13 ASN H H 13 9.350 9.350 8.896 0.454 19727 3011 1 6 . 1 1 14 14 TYR N N 14 120.082 120.082 118.649 1.433 19727 3012 1 6 . 1 1 14 14 TYR HA H 14 4.290 4.290 3.819 0.471 19727 3013 1 6 . 1 1 14 14 TYR CA C 14 60.700 60.700 61.742 -1.042 19727 3014 1 6 . 1 1 14 14 TYR CB C 14 39.620 39.620 37.942 1.678 19727 3015 1 6 . 1 1 14 14 TYR H H 14 8.357 8.357 8.311 0.046 19727 3016 1 6 . 1 1 15 15 ASP N N 15 118.245 118.245 117.875 0.370 19727 3017 1 6 . 1 1 15 15 ASP HA H 15 4.060 4.060 4.327 -0.267 19727 3018 1 6 . 1 1 15 15 ASP CA C 15 58.620 58.620 57.007 1.613 19727 3019 1 6 . 1 1 15 15 ASP CB C 15 41.140 41.140 40.337 0.803 19727 3020 1 6 . 1 1 15 15 ASP H H 15 8.562 8.562 8.703 -0.141 19727 3021 1 6 . 1 1 16 16 LYS N N 16 118.806 118.806 119.258 -0.452 19727 3022 1 6 . 1 1 16 16 LYS HA H 16 4.050 4.050 4.125 -0.075 19727 3023 1 6 . 1 1 16 16 LYS CA C 16 58.610 58.610 59.515 -0.905 19727 3024 1 6 . 1 1 16 16 LYS CB C 16 31.550 31.550 32.455 -0.905 19727 3025 1 6 . 1 1 16 16 LYS H H 16 7.801 7.801 7.608 0.193 19727 3026 1 6 . 1 1 17 17 PHE N N 17 120.733 120.733 115.420 5.313 19727 3027 1 6 . 1 1 17 17 PHE HA H 17 4.020 4.020 4.440 -0.420 19727 3028 1 6 . 1 1 17 17 PHE CA C 17 61.620 61.620 59.319 2.301 19727 3029 1 6 . 1 1 17 17 PHE CB C 17 40.250 40.250 38.365 1.885 19727 3030 1 6 . 1 1 17 17 PHE H H 17 7.543 7.543 8.275 -0.732 19727 3031 1 6 . 1 1 18 18 MET N N 18 117.590 117.590 118.243 -0.653 19727 3032 1 6 . 1 1 18 18 MET HA H 18 3.210 3.210 4.210 -1.000 19727 3033 1 6 . 1 1 18 18 MET CA C 18 59.860 59.860 58.563 1.297 19727 3034 1 6 . 1 1 18 18 MET CB C 18 34.110 34.110 32.105 2.005 19727 3035 1 6 . 1 1 18 18 MET H H 18 8.063 8.063 8.029 0.034 19727 3036 1 6 . 1 1 19 19 GLU N N 19 120.480 120.480 119.754 0.726 19727 3037 1 6 . 1 1 19 19 GLU HA H 19 3.830 3.830 4.221 -0.391 19727 3038 1 6 . 1 1 19 19 GLU CA C 19 60.040 60.040 58.353 1.687 19727 3039 1 6 . 1 1 19 19 GLU CB C 19 29.790 29.790 29.173 0.617 19727 3040 1 6 . 1 1 19 19 GLU H H 19 8.430 8.430 8.043 0.387 19727 3041 1 6 . 1 1 20 20 LYS N N 20 122.631 122.631 119.516 3.115 19727 3042 1 6 . 1 1 20 20 LYS HA H 20 4.070 4.070 4.135 -0.065 19727 3043 1 6 . 1 1 20 20 LYS CA C 20 57.400 57.400 58.821 -1.421 19727 3044 1 6 . 1 1 20 20 LYS CB C 20 31.940 31.940 32.669 -0.729 19727 3045 1 6 . 1 1 20 20 LYS H H 20 8.080 8.080 7.731 0.349 19727 3046 1 6 . 1 1 21 21 MET N N 21 114.794 114.794 114.432 0.362 19727 3047 1 6 . 1 1 21 21 MET HA H 21 3.810 3.810 4.193 -0.383 19727 3048 1 6 . 1 1 21 21 MET CA C 21 56.310 56.310 56.896 -0.586 19727 3049 1 6 . 1 1 21 21 MET CB C 21 32.729 32.729 33.505 -0.776 19727 3050 1 6 . 1 1 21 21 MET H H 21 7.554 7.554 7.483 0.071 19727 3051 1 6 . 1 1 22 22 GLY N N 22 107.423 107.423 106.256 1.167 19727 3052 1 6 . 1 1 22 22 GLY CA C 22 45.310 45.310 44.571 0.739 19727 3053 1 6 . 1 1 22 22 GLY H H 22 7.718 7.718 7.775 -0.057 19727 3054 1 6 . 1 1 23 23 VAL N N 23 121.380 121.380 121.101 0.279 19727 3055 1 6 . 1 1 23 23 VAL HA H 23 3.770 3.770 4.085 -0.315 19727 3056 1 6 . 1 1 23 23 VAL CA C 23 62.650 62.650 61.010 1.640 19727 3057 1 6 . 1 1 23 23 VAL CB C 23 32.060 32.060 31.571 0.489 19727 3058 1 6 . 1 1 23 23 VAL H H 23 7.491 7.491 8.123 -0.632 19727 3059 1 6 . 1 1 24 24 ASN N N 24 127.861 127.861 124.438 3.423 19727 3060 1 6 . 1 1 24 24 ASN HA H 24 4.430 4.430 4.487 -0.057 19727 3061 1 6 . 1 1 24 24 ASN CA C 24 54.090 54.090 54.862 -0.772 19727 3062 1 6 . 1 1 24 24 ASN CB C 24 39.330 39.330 39.685 -0.355 19727 3063 1 6 . 1 1 24 24 ASN H H 24 8.780 8.780 7.978 0.802 19727 3064 1 6 . 1 1 25 25 ILE N N 25 121.002 121.002 120.658 0.344 19727 3065 1 6 . 1 1 25 25 ILE HA H 25 3.660 3.660 3.986 -0.326 19727 3066 1 6 . 1 1 25 25 ILE CA C 25 65.350 65.350 63.335 2.015 19727 3067 1 6 . 1 1 25 25 ILE CB C 25 38.910 38.910 38.447 0.463 19727 3068 1 6 . 1 1 25 25 ILE H H 25 8.494 8.494 8.560 -0.066 19727 3069 1 6 . 1 1 26 26 VAL N N 26 121.014 121.014 120.365 0.649 19727 3070 1 6 . 1 1 26 26 VAL HA H 26 3.680 3.680 3.641 0.039 19727 3071 1 6 . 1 1 26 26 VAL CA C 26 66.080 66.080 66.575 -0.495 19727 3072 1 6 . 1 1 26 26 VAL CB C 26 31.930 31.930 31.221 0.709 19727 3073 1 6 . 1 1 26 26 VAL H H 26 7.569 7.569 8.344 -0.775 19727 3074 1 6 . 1 1 27 27 LYS N N 27 118.674 118.674 115.528 3.146 19727 3075 1 6 . 1 1 27 27 LYS HA H 27 4.140 4.140 4.203 -0.063 19727 3076 1 6 . 1 1 27 27 LYS CA C 27 58.240 58.240 57.607 0.633 19727 3077 1 6 . 1 1 27 27 LYS CB C 27 32.610 32.610 31.935 0.675 19727 3078 1 6 . 1 1 27 27 LYS H H 27 7.729 7.729 8.094 -0.365 19727 3079 1 6 . 1 1 28 28 ARG N N 28 119.667 119.667 120.757 -1.090 19727 3080 1 6 . 1 1 28 28 ARG HA H 28 3.740 3.740 4.047 -0.307 19727 3081 1 6 . 1 1 28 28 ARG CA C 28 60.040 60.040 57.791 2.249 19727 3082 1 6 . 1 1 28 28 ARG CB C 28 30.760 30.760 29.887 0.873 19727 3083 1 6 . 1 1 28 28 ARG H H 28 8.418 8.418 7.537 0.881 19727 3084 1 6 . 1 1 29 29 LYS N N 29 118.502 118.502 119.096 -0.594 19727 3085 1 6 . 1 1 29 29 LYS HA H 29 4.040 4.040 3.969 0.071 19727 3086 1 6 . 1 1 29 29 LYS CA C 29 59.460 59.460 59.731 -0.271 19727 3087 1 6 . 1 1 29 29 LYS CB C 29 32.440 32.440 32.247 0.193 19727 3088 1 6 . 1 1 29 29 LYS H H 29 7.611 7.611 8.478 -0.867 19727 3089 1 6 . 1 1 30 30 LEU N N 30 119.200 119.200 115.799 3.401 19727 3090 1 6 . 1 1 30 30 LEU HA H 30 4.170 4.170 4.410 -0.240 19727 3091 1 6 . 1 1 30 30 LEU CA C 30 57.560 57.560 56.032 1.528 19727 3092 1 6 . 1 1 30 30 LEU CB C 30 42.320 42.320 42.507 -0.187 19727 3093 1 6 . 1 1 30 30 LEU H H 30 7.292 7.292 7.420 -0.128 19727 3094 1 6 . 1 1 31 31 ALA N N 31 120.380 120.380 121.198 -0.818 19727 3095 1 6 . 1 1 31 31 ALA HA H 31 4.080 4.080 4.037 0.043 19727 3096 1 6 . 1 1 31 31 ALA CA C 31 54.370 54.370 53.450 0.920 19727 3097 1 6 . 1 1 31 31 ALA CB C 31 19.300 19.300 18.184 1.116 19727 3098 1 6 . 1 1 31 31 ALA H H 31 8.257 8.257 7.472 0.785 19727 3099 1 6 . 1 1 32 32 ALA N N 32 117.152 117.152 119.524 -2.372 19727 3100 1 6 . 1 1 32 32 ALA HA H 32 4.130 4.130 3.383 0.747 19727 3101 1 6 . 1 1 32 32 ALA CA C 32 54.060 54.060 54.241 -0.181 19727 3102 1 6 . 1 1 32 32 ALA CB C 32 18.710 18.710 19.172 -0.462 19727 3103 1 6 . 1 1 32 32 ALA H H 32 7.320 7.320 7.846 -0.526 19727 3104 1 6 . 1 1 33 33 HIS N N 33 115.869 115.869 112.521 3.348 19727 3105 1 6 . 1 1 33 33 HIS HA H 33 5.000 5.000 4.405 0.595 19727 3106 1 6 . 1 1 33 33 HIS CA C 33 54.200 54.200 56.717 -2.517 19727 3107 1 6 . 1 1 33 33 HIS CB C 33 28.310 28.310 29.070 -0.760 19727 3108 1 6 . 1 1 33 33 HIS H H 33 7.675 7.675 7.516 0.159 19727 3109 1 6 . 1 1 34 34 ASP N N 34 117.892 117.892 122.411 -4.519 19727 3110 1 6 . 1 1 34 34 ASP HA H 34 4.200 4.200 3.805 0.395 19727 3111 1 6 . 1 1 34 34 ASP CA C 34 54.450 54.450 56.783 -2.333 19727 3112 1 6 . 1 1 34 34 ASP CB C 34 40.740 40.740 40.710 0.030 19727 3113 1 6 . 1 1 34 34 ASP H H 34 7.430 7.430 8.468 -1.038 19727 3114 1 6 . 1 1 35 35 ASN N N 35 118.996 118.996 115.594 3.402 19727 3115 1 6 . 1 1 35 35 ASN HA H 35 4.310 4.310 4.794 -0.484 19727 3116 1 6 . 1 1 35 35 ASN CA C 35 53.650 53.650 52.526 1.124 19727 3117 1 6 . 1 1 35 35 ASN CB C 35 37.760 37.760 37.722 0.038 19727 3118 1 6 . 1 1 35 35 ASN H H 35 9.086 9.086 8.158 0.928 19727 3119 1 6 . 1 1 36 36 LEU N N 36 118.708 118.708 122.729 -4.021 19727 3120 1 6 . 1 1 36 36 LEU CA C 36 57.330 57.330 54.532 2.798 19727 3121 1 6 . 1 1 36 36 LEU CB C 36 42.810 42.810 43.768 -0.958 19727 3122 1 6 . 1 1 36 36 LEU H H 36 6.914 6.914 7.297 -0.383 19727 3123 1 6 . 1 1 37 37 LYS N N 37 126.148 126.148 128.000 -1.852 19727 3124 1 6 . 1 1 37 37 LYS HA H 37 5.650 5.650 4.807 0.843 19727 3125 1 6 . 1 1 37 37 LYS CA C 37 55.170 55.170 54.490 0.680 19727 3126 1 6 . 1 1 37 37 LYS CB C 37 36.200 36.200 34.089 2.111 19727 3127 1 6 . 1 1 37 37 LYS H H 37 9.246 9.246 8.184 1.062 19727 3128 1 6 . 1 1 38 38 LEU N N 38 122.300 122.300 129.559 -7.259 19727 3129 1 6 . 1 1 38 38 LEU HA H 38 5.550 5.550 4.787 0.763 19727 3130 1 6 . 1 1 38 38 LEU CA C 38 52.870 52.870 53.508 -0.638 19727 3131 1 6 . 1 1 38 38 LEU CB C 38 46.720 46.720 44.419 2.301 19727 3132 1 6 . 1 1 38 38 LEU H H 38 9.324 9.324 9.302 0.022 19727 3133 1 6 . 1 1 39 39 THR N N 39 120.586 120.586 123.587 -3.001 19727 3134 1 6 . 1 1 39 39 THR HA H 39 5.280 5.280 4.751 0.529 19727 3135 1 6 . 1 1 39 39 THR CA C 39 62.950 62.950 62.282 0.668 19727 3136 1 6 . 1 1 39 39 THR CB C 39 70.590 70.590 70.300 0.290 19727 3137 1 6 . 1 1 39 39 THR H H 39 9.191 9.191 8.257 0.934 19727 3138 1 6 . 1 1 40 40 ILE N N 40 128.371 128.371 125.190 3.181 19727 3139 1 6 . 1 1 40 40 ILE HA H 40 4.860 4.860 4.794 0.066 19727 3140 1 6 . 1 1 40 40 ILE CA C 40 61.570 61.570 58.768 2.802 19727 3141 1 6 . 1 1 40 40 ILE CB C 40 40.060 40.060 39.142 0.919 19727 3142 1 6 . 1 1 40 40 ILE H H 40 8.531 8.531 9.174 -0.643 19727 3143 1 6 . 1 1 41 41 THR N N 41 120.285 120.285 121.352 -1.067 19727 3144 1 6 . 1 1 41 41 THR HA H 41 4.510 4.510 4.544 -0.034 19727 3145 1 6 . 1 1 41 41 THR CA C 41 60.930 60.930 60.749 0.181 19727 3146 1 6 . 1 1 41 41 THR CB C 41 71.450 71.450 72.500 -1.050 19727 3147 1 6 . 1 1 41 41 THR H H 41 8.624 8.624 8.165 0.459 19727 3148 1 6 . 1 1 42 42 GLN N N 42 126.369 126.369 122.839 3.530 19727 3149 1 6 . 1 1 42 42 GLN CA C 42 54.400 54.400 56.365 -1.965 19727 3150 1 6 . 1 1 42 42 GLN CB C 42 30.560 30.560 29.334 1.226 19727 3151 1 6 . 1 1 42 42 GLN H H 42 9.050 9.050 8.808 0.242 19727 3152 1 6 . 1 1 43 43 GLU N N 43 128.036 128.036 127.123 0.913 19727 3153 1 6 . 1 1 43 43 GLU HA H 43 4.400 4.400 4.543 -0.143 19727 3154 1 6 . 1 1 43 43 GLU CA C 43 55.020 55.020 55.349 -0.329 19727 3155 1 6 . 1 1 43 43 GLU CB C 43 31.630 31.630 30.560 1.070 19727 3156 1 6 . 1 1 43 43 GLU H H 43 8.807 8.807 8.550 0.257 19727 3157 1 6 . 1 1 44 44 GLY N N 44 117.000 117.000 110.879 6.121 19727 3158 1 6 . 1 1 44 44 GLY CA C 44 47.460 47.460 46.050 1.410 19727 3159 1 6 . 1 1 44 44 GLY H H 44 9.060 9.060 8.128 0.932 19727 3160 1 6 . 1 1 45 45 ASN N N 45 124.910 124.910 123.063 1.847 19727 3161 1 6 . 1 1 45 45 ASN HA H 45 4.830 4.830 4.474 0.356 19727 3162 1 6 . 1 1 45 45 ASN CA C 45 53.040 53.040 53.094 -0.054 19727 3163 1 6 . 1 1 45 45 ASN CB C 45 39.050 39.050 38.134 0.916 19727 3164 1 6 . 1 1 45 45 ASN H H 45 8.769 8.769 8.643 0.126 19727 3165 1 6 . 1 1 46 46 LYS N N 46 120.293 120.293 118.253 2.040 19727 3166 1 6 . 1 1 46 46 LYS HA H 46 4.890 4.890 4.562 0.328 19727 3167 1 6 . 1 1 46 46 LYS CA C 46 55.760 55.760 54.919 0.841 19727 3168 1 6 . 1 1 46 46 LYS CB C 46 34.610 34.610 35.861 -1.252 19727 3169 1 6 . 1 1 46 46 LYS H H 46 7.873 7.873 7.070 0.803 19727 3170 1 6 . 1 1 47 47 PHE N N 47 127.531 127.531 119.035 8.496 19727 3171 1 6 . 1 1 47 47 PHE HA H 47 4.700 4.700 5.364 -0.664 19727 3172 1 6 . 1 1 47 47 PHE CA C 47 56.450 56.450 55.299 1.151 19727 3173 1 6 . 1 1 47 47 PHE CB C 47 43.050 43.050 41.333 1.717 19727 3174 1 6 . 1 1 47 47 PHE H H 47 9.130 9.130 9.404 -0.274 19727 3175 1 6 . 1 1 48 48 THR N N 48 115.162 115.162 120.758 -5.596 19727 3176 1 6 . 1 1 48 48 THR HA H 48 4.770 4.770 4.399 0.371 19727 3177 1 6 . 1 1 48 48 THR CA C 48 62.090 62.090 61.907 0.183 19727 3178 1 6 . 1 1 48 48 THR CB C 48 70.280 70.280 68.460 1.820 19727 3179 1 6 . 1 1 48 48 THR H H 48 8.318 8.318 8.580 -0.262 19727 3180 1 6 . 1 1 49 49 VAL N N 49 127.272 127.272 123.227 4.045 19727 3181 1 6 . 1 1 49 49 VAL HA H 49 4.840 4.840 4.960 -0.120 19727 3182 1 6 . 1 1 49 49 VAL CA C 49 61.110 61.110 59.508 1.602 19727 3183 1 6 . 1 1 49 49 VAL CB C 49 34.330 34.330 32.413 1.917 19727 3184 1 6 . 1 1 49 49 VAL H H 49 9.580 9.580 8.979 0.601 19727 3185 1 6 . 1 1 50 50 LYS N N 50 127.439 127.439 126.842 0.597 19727 3186 1 6 . 1 1 50 50 LYS HA H 50 4.993 4.993 4.648 0.345 19727 3187 1 6 . 1 1 50 50 LYS CA C 50 55.500 55.500 54.754 0.746 19727 3188 1 6 . 1 1 50 50 LYS CB C 50 33.320 33.320 35.252 -1.932 19727 3189 1 6 . 1 1 50 50 LYS H H 50 9.175 9.175 8.133 1.042 19727 3190 1 6 . 1 1 51 51 GLU N N 51 128.140 128.140 127.862 0.278 19727 3191 1 6 . 1 1 51 51 GLU HA H 51 5.090 5.090 5.165 -0.075 19727 3192 1 6 . 1 1 51 51 GLU CA C 51 55.160 55.160 56.150 -0.990 19727 3193 1 6 . 1 1 51 51 GLU CB C 51 31.450 31.450 31.521 -0.071 19727 3194 1 6 . 1 1 51 51 GLU H H 51 9.173 9.173 8.715 0.458 19727 3195 1 6 . 1 1 52 52 SER N N 52 120.997 120.997 121.469 -0.472 19727 3196 1 6 . 1 1 52 52 SER CA C 52 56.630 56.630 57.617 -0.987 19727 3197 1 6 . 1 1 52 52 SER CB C 52 65.290 65.290 65.147 0.143 19727 3198 1 6 . 1 1 52 52 SER H H 52 9.015 9.015 8.211 0.804 19727 3199 1 6 . 1 1 53 53 SER N N 53 117.567 117.567 119.774 -2.207 19727 3200 1 6 . 1 1 53 53 SER CA C 53 56.780 56.780 57.359 -0.579 19727 3201 1 6 . 1 1 53 53 SER CB C 53 68.320 68.320 65.809 2.511 19727 3202 1 6 . 1 1 53 53 SER H H 53 9.013 9.013 7.895 1.118 19727 3203 1 6 . 1 1 54 54 ALA N N 54 119.830 119.830 123.628 -3.798 19727 3204 1 6 . 1 1 54 54 ALA HA H 54 4.030 4.030 4.288 -0.258 19727 3205 1 6 . 1 1 54 54 ALA CA C 54 54.030 54.030 54.359 -0.329 19727 3206 1 6 . 1 1 54 54 ALA CB C 54 18.380 18.380 19.012 -0.632 19727 3207 1 6 . 1 1 54 54 ALA H H 54 9.009 9.009 8.647 0.362 19727 3208 1 6 . 1 1 55 55 PHE N N 55 112.640 112.640 113.990 -1.350 19727 3209 1 6 . 1 1 55 55 PHE H H 55 8.050 8.050 7.297 0.753 19727 3210 1 6 . 1 1 57 57 ASN N N 57 119.170 119.170 118.238 0.932 19727 3211 1 6 . 1 1 57 57 ASN HA H 57 5.840 5.840 5.056 0.784 19727 3212 1 6 . 1 1 57 57 ASN CA C 57 53.190 53.190 52.766 0.424 19727 3213 1 6 . 1 1 57 57 ASN CB C 57 40.990 40.990 41.266 -0.276 19727 3214 1 6 . 1 1 57 57 ASN H H 57 8.487 8.487 8.363 0.124 19727 3215 1 6 . 1 1 58 58 ILE N N 58 117.653 117.653 122.566 -4.913 19727 3216 1 6 . 1 1 58 58 ILE HA H 58 4.860 4.860 4.494 0.366 19727 3217 1 6 . 1 1 58 58 ILE CA C 58 60.150 60.150 60.153 -0.003 19727 3218 1 6 . 1 1 58 58 ILE CB C 58 43.590 43.590 42.399 1.191 19727 3219 1 6 . 1 1 58 58 ILE H H 58 8.803 8.803 8.866 -0.063 19727 3220 1 6 . 1 1 59 59 GLU N N 59 123.376 123.376 122.898 0.478 19727 3221 1 6 . 1 1 59 59 GLU HA H 59 5.260 5.260 5.008 0.252 19727 3222 1 6 . 1 1 59 59 GLU CA C 59 60.170 60.170 55.083 5.087 19727 3223 1 6 . 1 1 59 59 GLU CB C 59 32.900 32.900 33.274 -0.374 19727 3224 1 6 . 1 1 59 59 GLU H H 59 8.519 8.519 8.202 0.317 19727 3225 1 6 . 1 1 60 60 VAL N N 60 127.157 127.157 119.795 7.362 19727 3226 1 6 . 1 1 60 60 VAL HA H 60 4.460 4.460 4.303 0.157 19727 3227 1 6 . 1 1 60 60 VAL CA C 60 61.730 61.730 61.294 0.436 19727 3228 1 6 . 1 1 60 60 VAL CB C 60 35.030 35.030 35.102 -0.073 19727 3229 1 6 . 1 1 60 60 VAL H H 60 9.227 9.227 8.957 0.270 19727 3230 1 6 . 1 1 61 61 VAL N N 61 125.109 125.109 120.711 4.398 19727 3231 1 6 . 1 1 61 61 VAL HA H 61 5.160 5.160 4.766 0.394 19727 3232 1 6 . 1 1 61 61 VAL CA C 61 60.350 60.350 60.005 0.345 19727 3233 1 6 . 1 1 61 61 VAL CB C 61 34.600 34.600 35.279 -0.680 19727 3234 1 6 . 1 1 61 61 VAL H H 61 8.179 8.179 8.231 -0.052 19727 3235 1 6 . 1 1 62 62 PHE N N 62 121.713 121.713 122.883 -1.170 19727 3236 1 6 . 1 1 62 62 PHE HA H 62 4.840 4.840 5.070 -0.230 19727 3237 1 6 . 1 1 62 62 PHE CA C 62 55.320 55.320 54.012 1.308 19727 3238 1 6 . 1 1 62 62 PHE CB C 62 41.060 41.060 40.434 0.627 19727 3239 1 6 . 1 1 62 62 PHE H H 62 8.432 8.432 9.121 -0.689 19727 3240 1 6 . 1 1 63 63 GLU N N 63 119.775 119.775 123.040 -3.265 19727 3241 1 6 . 1 1 63 63 GLU HA H 63 5.330 5.330 4.714 0.616 19727 3242 1 6 . 1 1 63 63 GLU CA C 63 53.700 53.700 54.163 -0.463 19727 3243 1 6 . 1 1 63 63 GLU CB C 63 32.720 32.720 33.003 -0.283 19727 3244 1 6 . 1 1 63 63 GLU H H 63 9.386 9.386 8.991 0.395 19727 3245 1 6 . 1 1 64 64 LEU N N 64 124.568 124.568 126.003 -1.435 19727 3246 1 6 . 1 1 64 64 LEU HA H 64 4.530 4.530 4.141 0.389 19727 3247 1 6 . 1 1 64 64 LEU CA C 64 56.770 56.770 56.113 0.657 19727 3248 1 6 . 1 1 64 64 LEU CB C 64 41.390 41.390 40.267 1.123 19727 3249 1 6 . 1 1 64 64 LEU H H 64 8.834 8.834 8.740 0.094 19727 3250 1 6 . 1 1 65 65 GLY N N 65 108.336 108.336 112.428 -4.092 19727 3251 1 6 . 1 1 65 65 GLY CA C 65 46.210 46.210 44.715 1.495 19727 3252 1 6 . 1 1 65 65 GLY H H 65 9.299 9.299 8.548 0.751 19727 3253 1 6 . 1 1 66 66 VAL N N 66 121.972 121.972 119.951 2.021 19727 3254 1 6 . 1 1 66 66 VAL HA H 66 4.380 4.380 4.360 0.020 19727 3255 1 6 . 1 1 66 66 VAL CA C 66 62.660 62.660 60.797 1.863 19727 3256 1 6 . 1 1 66 66 VAL CB C 66 32.900 32.900 34.513 -1.613 19727 3257 1 6 . 1 1 66 66 VAL H H 66 7.905 7.905 8.074 -0.169 19727 3258 1 6 . 1 1 67 67 THR N N 67 129.168 129.168 120.790 8.378 19727 3259 1 6 . 1 1 67 67 THR HA H 67 4.390 4.390 4.484 -0.094 19727 3260 1 6 . 1 1 67 67 THR CA C 67 64.580 64.580 64.645 -0.065 19727 3261 1 6 . 1 1 67 67 THR CB C 67 69.140 69.140 69.298 -0.158 19727 3262 1 6 . 1 1 67 67 THR H H 67 8.784 8.784 8.525 0.259 19727 3263 1 6 . 1 1 68 68 PHE N N 68 126.387 126.387 123.269 3.118 19727 3264 1 6 . 1 1 68 68 PHE HA H 68 5.120 5.120 4.736 0.384 19727 3265 1 6 . 1 1 68 68 PHE CA C 68 56.240 56.240 55.573 0.667 19727 3266 1 6 . 1 1 68 68 PHE CB C 68 41.980 41.980 42.170 -0.191 19727 3267 1 6 . 1 1 68 68 PHE H H 68 9.687 9.687 8.851 0.836 19727 3268 1 6 . 1 1 69 69 ASN N N 69 116.298 116.298 121.815 -5.517 19727 3269 1 6 . 1 1 69 69 ASN HA H 69 5.340 5.340 4.839 0.501 19727 3270 1 6 . 1 1 69 69 ASN CA C 69 51.630 51.630 52.681 -1.051 19727 3271 1 6 . 1 1 69 69 ASN CB C 69 40.640 40.640 41.243 -0.603 19727 3272 1 6 . 1 1 69 69 ASN H H 69 8.370 8.370 8.320 0.050 19727 3273 1 6 . 1 1 70 70 TYR N N 70 120.913 120.913 122.063 -1.150 19727 3274 1 6 . 1 1 70 70 TYR H H 70 8.655 8.655 8.143 0.512 19727 3275 1 6 . 1 1 73 73 ALA HA H 73 3.760 3.760 3.964 -0.204 19727 3276 1 6 . 1 1 73 73 ALA CA C 73 53.600 53.600 54.776 -1.176 19727 3277 1 6 . 1 1 73 73 ALA CB C 73 17.960 17.960 19.020 -1.060 19727 3278 1 6 . 1 1 74 74 ASP N N 74 113.641 113.641 116.244 -2.603 19727 3279 1 6 . 1 1 74 74 ASP CA C 74 52.960 52.960 55.394 -2.434 19727 3280 1 6 . 1 1 74 74 ASP CB C 74 39.210 39.210 40.035 -0.825 19727 3281 1 6 . 1 1 74 74 ASP H H 74 8.575 8.575 8.185 0.390 19727 3282 1 6 . 1 1 75 75 GLY N N 75 107.874 107.874 106.259 1.615 19727 3283 1 6 . 1 1 75 75 GLY CA C 75 44.800 44.800 45.194 -0.394 19727 3284 1 6 . 1 1 75 75 GLY H H 75 7.745 7.745 8.023 -0.278 19727 3285 1 6 . 1 1 76 76 THR N N 76 119.192 119.192 113.851 5.341 19727 3286 1 6 . 1 1 76 76 THR CA C 76 64.980 64.980 61.079 3.901 19727 3287 1 6 . 1 1 76 76 THR CB C 76 68.240 68.240 70.493 -2.253 19727 3288 1 6 . 1 1 76 76 THR H H 76 7.724 7.724 7.877 -0.153 19727 3289 1 6 . 1 1 77 77 GLU N N 77 128.678 128.678 122.439 6.239 19727 3290 1 6 . 1 1 77 77 GLU CA C 77 56.450 56.450 55.554 0.896 19727 3291 1 6 . 1 1 77 77 GLU CB C 77 31.500 31.500 31.856 -0.356 19727 3292 1 6 . 1 1 77 77 GLU H H 77 8.468 8.468 8.607 -0.139 19727 3293 1 6 . 1 1 78 78 LEU N N 78 124.431 124.431 126.901 -2.470 19727 3294 1 6 . 1 1 78 78 LEU HA H 78 5.130 5.130 4.865 0.265 19727 3295 1 6 . 1 1 78 78 LEU CA C 78 53.230 53.230 54.248 -1.018 19727 3296 1 6 . 1 1 78 78 LEU CB C 78 45.400 45.400 45.813 -0.413 19727 3297 1 6 . 1 1 78 78 LEU H H 78 8.875 8.875 8.049 0.826 19727 3298 1 6 . 1 1 79 79 ARG HA H 79 5.390 5.390 4.913 0.477 19727 3299 1 6 . 1 1 79 79 ARG CA C 79 54.560 54.560 54.878 -0.318 19727 3300 1 6 . 1 1 79 79 ARG CB C 79 33.860 33.860 32.913 0.947 19727 3301 1 6 . 1 1 80 80 GLY N N 80 115.450 115.450 112.450 3.000 19727 3302 1 6 . 1 1 80 80 GLY CA C 80 46.730 46.730 44.796 1.934 19727 3303 1 6 . 1 1 80 80 GLY H H 80 9.026 9.026 8.029 0.997 19727 3304 1 6 . 1 1 81 81 THR N N 81 106.379 106.379 112.022 -5.643 19727 3305 1 6 . 1 1 81 81 THR HA H 81 4.680 4.680 4.939 -0.259 19727 3306 1 6 . 1 1 81 81 THR CA C 81 59.010 59.010 61.190 -2.180 19727 3307 1 6 . 1 1 81 81 THR CB C 81 73.140 73.140 71.644 1.496 19727 3308 1 6 . 1 1 81 81 THR H H 81 6.937 6.937 8.246 -1.309 19727 3309 1 6 . 1 1 82 82 TRP N N 82 120.025 120.025 126.279 -6.254 19727 3310 1 6 . 1 1 82 82 TRP HA H 82 5.350 5.350 5.230 0.120 19727 3311 1 6 . 1 1 82 82 TRP CA C 82 56.400 56.400 55.939 0.461 19727 3312 1 6 . 1 1 82 82 TRP CB C 82 33.630 33.630 32.443 1.187 19727 3313 1 6 . 1 1 82 82 TRP H H 82 9.126 9.126 8.137 0.989 19727 3314 1 6 . 1 1 83 83 SER N N 83 115.180 115.180 116.365 -1.185 19727 3315 1 6 . 1 1 83 83 SER HA H 83 5.490 5.490 4.676 0.814 19727 3316 1 6 . 1 1 83 83 SER CA C 83 57.080 57.080 57.142 -0.062 19727 3317 1 6 . 1 1 83 83 SER CB C 83 65.680 65.680 65.674 0.006 19727 3318 1 6 . 1 1 83 83 SER H H 83 9.045 9.045 8.863 0.182 19727 3319 1 6 . 1 1 84 84 LEU N N 84 125.420 125.420 125.337 0.083 19727 3320 1 6 . 1 1 84 84 LEU HA H 84 5.200 5.200 4.734 0.466 19727 3321 1 6 . 1 1 84 84 LEU CA C 84 54.600 54.600 53.871 0.729 19727 3322 1 6 . 1 1 84 84 LEU CB C 84 45.130 45.130 45.119 0.011 19727 3323 1 6 . 1 1 84 84 LEU H H 84 8.889 8.889 8.479 0.410 19727 3324 1 6 . 1 1 85 85 GLU N N 85 127.397 127.397 125.261 2.136 19727 3325 1 6 . 1 1 85 85 GLU HA H 85 4.610 4.610 4.466 0.144 19727 3326 1 6 . 1 1 85 85 GLU CA C 85 55.310 55.310 55.203 0.107 19727 3327 1 6 . 1 1 85 85 GLU CB C 85 31.470 31.470 30.144 1.326 19727 3328 1 6 . 1 1 85 85 GLU H H 85 8.964 8.964 8.552 0.412 19727 3329 1 6 . 1 1 86 86 GLY N N 86 117.395 117.395 116.859 0.536 19727 3330 1 6 . 1 1 86 86 GLY CA C 86 47.580 47.580 46.900 0.680 19727 3331 1 6 . 1 1 86 86 GLY H H 86 9.039 9.039 8.646 0.393 19727 3332 1 6 . 1 1 87 87 ASN N N 87 122.457 122.457 123.404 -0.947 19727 3333 1 6 . 1 1 87 87 ASN HA H 87 4.820 4.820 5.052 -0.232 19727 3334 1 6 . 1 1 87 87 ASN CA C 87 53.170 53.170 52.859 0.311 19727 3335 1 6 . 1 1 87 87 ASN CB C 87 38.800 38.800 39.941 -1.141 19727 3336 1 6 . 1 1 87 87 ASN H H 87 8.765 8.765 8.511 0.254 19727 3337 1 6 . 1 1 88 88 LYS N N 88 117.971 117.971 119.694 -1.723 19727 3338 1 6 . 1 1 88 88 LYS HA H 88 4.960 4.960 4.667 0.293 19727 3339 1 6 . 1 1 88 88 LYS CA C 88 56.000 56.000 55.171 0.829 19727 3340 1 6 . 1 1 88 88 LYS CB C 88 35.580 35.580 35.999 -0.419 19727 3341 1 6 . 1 1 88 88 LYS H H 88 7.986 7.986 7.553 0.433 19727 3342 1 6 . 1 1 89 89 LEU N N 89 122.876 122.876 122.957 -0.081 19727 3343 1 6 . 1 1 89 89 LEU HA H 89 5.010 5.010 4.186 0.824 19727 3344 1 6 . 1 1 89 89 LEU CA C 89 53.450 53.450 53.713 -0.263 19727 3345 1 6 . 1 1 89 89 LEU CB C 89 43.856 43.856 42.822 1.034 19727 3346 1 6 . 1 1 89 89 LEU H H 89 8.622 8.622 8.777 -0.155 19727 3347 1 6 . 1 1 90 90 ILE N N 90 124.780 124.780 120.458 4.322 19727 3348 1 6 . 1 1 90 90 ILE HA H 90 4.600 4.600 5.116 -0.516 19727 3349 1 6 . 1 1 90 90 ILE CA C 90 60.250 60.250 57.801 2.449 19727 3350 1 6 . 1 1 90 90 ILE CB C 90 38.760 38.760 40.531 -1.770 19727 3351 1 6 . 1 1 90 90 ILE H H 90 9.589 9.589 8.671 0.918 19727 3352 1 6 . 1 1 91 91 GLY N N 91 121.700 121.700 111.696 10.004 19727 3353 1 6 . 1 1 91 91 GLY CA C 91 44.680 44.680 44.190 0.490 19727 3354 1 6 . 1 1 91 91 GLY H H 91 9.620 9.620 8.858 0.762 19727 3355 1 6 . 1 1 92 92 LYS N N 92 127.600 127.600 121.336 6.264 19727 3356 1 6 . 1 1 92 92 LYS HA H 92 4.710 4.710 5.153 -0.443 19727 3357 1 6 . 1 1 92 92 LYS CA C 92 55.450 55.450 55.663 -0.213 19727 3358 1 6 . 1 1 92 92 LYS CB C 92 33.530 33.530 35.946 -2.416 19727 3359 1 6 . 1 1 92 92 LYS H H 92 7.730 7.730 8.380 -0.650 19727 3360 1 6 . 1 1 93 93 PHE N N 93 122.003 122.003 123.238 -1.235 19727 3361 1 6 . 1 1 93 93 PHE HA H 93 5.200 5.200 4.983 0.217 19727 3362 1 6 . 1 1 93 93 PHE CA C 93 55.960 55.960 57.113 -1.153 19727 3363 1 6 . 1 1 93 93 PHE CB C 93 44.350 44.350 42.639 1.711 19727 3364 1 6 . 1 1 93 93 PHE H H 93 8.443 8.443 8.222 0.221 19727 3365 1 6 . 1 1 94 94 LYS N N 94 119.319 119.319 117.423 1.896 19727 3366 1 6 . 1 1 94 94 LYS HA H 94 5.050 5.050 5.405 -0.355 19727 3367 1 6 . 1 1 94 94 LYS CA C 94 55.150 55.150 55.237 -0.087 19727 3368 1 6 . 1 1 94 94 LYS CB C 94 36.180 36.180 37.134 -0.954 19727 3369 1 6 . 1 1 94 94 LYS H H 94 8.803 8.803 8.565 0.238 19727 3370 1 6 . 1 1 95 95 ARG N N 95 122.142 122.142 125.074 -2.932 19727 3371 1 6 . 1 1 95 95 ARG HA H 95 4.760 4.760 4.698 0.062 19727 3372 1 6 . 1 1 95 95 ARG CA C 95 56.030 56.030 57.059 -1.029 19727 3373 1 6 . 1 1 95 95 ARG CB C 95 31.720 31.720 31.328 0.392 19727 3374 1 6 . 1 1 95 95 ARG H H 95 8.738 8.738 8.552 0.186 19727 3375 1 6 . 1 1 96 96 THR N N 96 117.210 117.210 119.650 -2.440 19727 3376 1 6 . 1 1 96 96 THR HA H 96 4.060 4.060 4.111 -0.051 19727 3377 1 6 . 1 1 96 96 THR CA C 96 64.140 64.140 65.661 -1.521 19727 3378 1 6 . 1 1 96 96 THR CB C 96 68.570 68.570 68.762 -0.192 19727 3379 1 6 . 1 1 96 96 THR H H 96 8.520 8.520 8.862 -0.342 19727 3380 1 6 . 1 1 97 97 ASP N N 97 120.647 120.647 120.959 -0.312 19727 3381 1 6 . 1 1 97 97 ASP HA H 97 4.330 4.330 4.419 -0.089 19727 3382 1 6 . 1 1 97 97 ASP CA C 97 56.200 56.200 56.528 -0.328 19727 3383 1 6 . 1 1 97 97 ASP CB C 97 38.860 38.860 41.093 -2.233 19727 3384 1 6 . 1 1 97 97 ASP H H 97 8.932 8.932 8.688 0.244 19727 3385 1 6 . 1 1 98 98 ASN N N 98 116.362 116.362 115.812 0.550 19727 3386 1 6 . 1 1 98 98 ASN HA H 98 4.750 4.750 4.839 -0.089 19727 3387 1 6 . 1 1 98 98 ASN CA C 98 51.640 51.640 52.860 -1.220 19727 3388 1 6 . 1 1 98 98 ASN CB C 98 39.340 39.340 40.214 -0.874 19727 3389 1 6 . 1 1 98 98 ASN H H 98 8.614 8.614 8.175 0.439 19727 3390 1 6 . 1 1 99 99 GLY N N 99 107.794 107.794 109.161 -1.367 19727 3391 1 6 . 1 1 99 99 GLY CA C 99 46.300 46.300 45.696 0.604 19727 3392 1 6 . 1 1 99 99 GLY H H 99 7.811 7.811 8.204 -0.393 19727 3393 1 6 . 1 1 100 100 ASN N N 100 118.972 118.972 121.759 -2.787 19727 3394 1 6 . 1 1 100 100 ASN HA H 100 4.690 4.690 5.176 -0.486 19727 3395 1 6 . 1 1 100 100 ASN CA C 100 53.210 53.210 52.030 1.180 19727 3396 1 6 . 1 1 100 100 ASN CB C 100 38.970 38.970 41.089 -2.119 19727 3397 1 6 . 1 1 100 100 ASN H H 100 8.416 8.416 8.038 0.378 19727 3398 1 6 . 1 1 101 101 GLU N N 101 119.642 119.642 124.191 -4.549 19727 3399 1 6 . 1 1 101 101 GLU HA H 101 4.790 4.790 4.324 0.466 19727 3400 1 6 . 1 1 101 101 GLU CA C 101 57.020 57.020 57.053 -0.033 19727 3401 1 6 . 1 1 101 101 GLU CB C 101 31.970 31.970 30.592 1.378 19727 3402 1 6 . 1 1 101 101 GLU H H 101 8.730 8.730 8.443 0.287 19727 3403 1 6 . 1 1 102 102 LEU N N 102 125.033 125.033 124.943 0.090 19727 3404 1 6 . 1 1 102 102 LEU HA H 102 5.200 5.200 5.406 -0.206 19727 3405 1 6 . 1 1 102 102 LEU CA C 102 55.260 55.260 53.985 1.275 19727 3406 1 6 . 1 1 102 102 LEU CB C 102 45.870 45.870 46.266 -0.396 19727 3407 1 6 . 1 1 102 102 LEU H H 102 8.908 8.908 8.491 0.417 19727 3408 1 6 . 1 1 103 103 ASN N N 103 123.919 123.919 123.721 0.198 19727 3409 1 6 . 1 1 103 103 ASN HA H 103 5.670 5.670 5.370 0.300 19727 3410 1 6 . 1 1 103 103 ASN CA C 103 52.150 52.150 52.293 -0.143 19727 3411 1 6 . 1 1 103 103 ASN CB C 103 41.970 41.970 42.328 -0.358 19727 3412 1 6 . 1 1 103 103 ASN H H 103 8.452 8.452 9.415 -0.963 19727 3413 1 6 . 1 1 104 104 THR N N 104 117.100 117.100 113.009 4.091 19727 3414 1 6 . 1 1 104 104 THR HA H 104 5.530 5.530 4.850 0.680 19727 3415 1 6 . 1 1 104 104 THR CA C 104 58.550 58.550 61.091 -2.541 19727 3416 1 6 . 1 1 104 104 THR CB C 104 70.450 70.450 70.520 -0.070 19727 3417 1 6 . 1 1 104 104 THR H H 104 9.050 9.050 8.882 0.168 19727 3418 1 6 . 1 1 105 105 VAL HA H 105 5.290 5.290 4.689 0.601 19727 3419 1 6 . 1 1 105 105 VAL CA C 105 61.070 61.070 61.246 -0.176 19727 3420 1 6 . 1 1 105 105 VAL CB C 105 36.290 36.290 34.078 2.212 19727 3421 1 6 . 1 1 106 106 ARG N N 106 124.249 124.249 126.798 -2.549 19727 3422 1 6 . 1 1 106 106 ARG CA C 106 54.890 54.890 53.834 1.056 19727 3423 1 6 . 1 1 106 106 ARG CB C 106 33.890 33.890 32.963 0.927 19727 3424 1 6 . 1 1 106 106 ARG H H 106 9.466 9.466 9.218 0.248 19727 3425 1 6 . 1 1 107 107 GLU N N 107 120.784 120.784 123.638 -2.854 19727 3426 1 6 . 1 1 107 107 GLU HA H 107 4.960 4.960 4.822 0.138 19727 3427 1 6 . 1 1 107 107 GLU CA C 107 54.810 54.810 53.603 1.207 19727 3428 1 6 . 1 1 107 107 GLU CB C 107 33.800 33.800 32.924 0.876 19727 3429 1 6 . 1 1 107 107 GLU H H 107 8.605 8.605 8.215 0.390 19727 3430 1 6 . 1 1 108 108 ILE N N 108 124.182 124.182 121.896 2.286 19727 3431 1 6 . 1 1 108 108 ILE HA H 108 4.780 4.780 4.256 0.524 19727 3432 1 6 . 1 1 108 108 ILE CA C 108 59.050 59.050 60.877 -1.827 19727 3433 1 6 . 1 1 108 108 ILE CB C 108 36.670 36.670 35.220 1.450 19727 3434 1 6 . 1 1 108 108 ILE H H 108 8.732 8.732 8.231 0.501 19727 3435 1 6 . 1 1 109 109 ILE N N 109 129.631 129.631 128.059 1.572 19727 3436 1 6 . 1 1 109 109 ILE HA H 109 4.250 4.250 4.084 0.166 19727 3437 1 6 . 1 1 109 109 ILE CA C 109 61.100 61.100 60.940 0.160 19727 3438 1 6 . 1 1 109 109 ILE CB C 109 39.290 39.290 38.860 0.430 19727 3439 1 6 . 1 1 109 109 ILE H H 109 8.903 8.903 7.924 0.979 19727 3440 1 6 . 1 1 110 110 GLY N N 110 119.473 119.473 116.449 3.024 19727 3441 1 6 . 1 1 110 110 GLY CA C 110 47.690 47.690 46.140 1.550 19727 3442 1 6 . 1 1 110 110 GLY H H 110 9.123 9.123 8.536 0.587 19727 3443 1 6 . 1 1 111 111 ASP N N 111 123.998 123.998 125.387 -1.389 19727 3444 1 6 . 1 1 111 111 ASP HA H 111 4.750 4.750 4.791 -0.041 19727 3445 1 6 . 1 1 111 111 ASP CA C 111 54.100 54.100 54.149 -0.049 19727 3446 1 6 . 1 1 111 111 ASP CB C 111 41.490 41.490 41.163 0.327 19727 3447 1 6 . 1 1 111 111 ASP H H 111 8.699 8.699 8.460 0.239 19727 3448 1 6 . 1 1 112 112 GLU N N 112 118.194 118.194 116.560 1.634 19727 3449 1 6 . 1 1 112 112 GLU HA H 112 5.150 5.150 4.630 0.520 19727 3450 1 6 . 1 1 112 112 GLU CA C 112 55.560 55.560 54.551 1.009 19727 3451 1 6 . 1 1 112 112 GLU CB C 112 33.200 33.200 33.799 -0.599 19727 3452 1 6 . 1 1 112 112 GLU H H 112 7.924 7.924 8.181 -0.257 19727 3453 1 6 . 1 1 113 113 LEU N N 113 123.501 123.501 121.716 1.785 19727 3454 1 6 . 1 1 113 113 LEU HA H 113 4.400 4.400 4.876 -0.476 19727 3455 1 6 . 1 1 113 113 LEU CA C 113 54.140 54.140 54.035 0.105 19727 3456 1 6 . 1 1 113 113 LEU CB C 113 42.180 42.180 45.724 -3.544 19727 3457 1 6 . 1 1 113 113 LEU H H 113 7.851 7.851 8.384 -0.533 19727 3458 1 6 . 1 1 114 114 VAL N N 114 127.898 127.898 126.992 0.906 19727 3459 1 6 . 1 1 114 114 VAL HA H 114 4.520 4.520 4.582 -0.062 19727 3460 1 6 . 1 1 114 114 VAL CA C 114 62.290 62.290 59.725 2.565 19727 3461 1 6 . 1 1 114 114 VAL CB C 114 33.430 33.430 32.911 0.519 19727 3462 1 6 . 1 1 114 114 VAL H H 114 9.357 9.357 8.813 0.544 19727 3463 1 6 . 1 1 115 115 GLN N N 115 130.218 130.218 129.406 0.812 19727 3464 1 6 . 1 1 115 115 GLN HA H 115 5.710 5.710 4.905 0.805 19727 3465 1 6 . 1 1 115 115 GLN CA C 115 53.930 53.930 54.655 -0.725 19727 3466 1 6 . 1 1 115 115 GLN CB C 115 30.060 30.060 31.694 -1.633 19727 3467 1 6 . 1 1 115 115 GLN H H 115 9.552 9.552 9.184 0.368 19727 3468 1 6 . 1 1 116 116 THR N N 116 121.078 121.078 119.385 1.693 19727 3469 1 6 . 1 1 116 116 THR HA H 116 5.080 5.080 5.079 0.001 19727 3470 1 6 . 1 1 116 116 THR CA C 116 61.800 61.800 61.802 -0.002 19727 3471 1 6 . 1 1 116 116 THR CB C 116 70.470 70.470 70.007 0.463 19727 3472 1 6 . 1 1 116 116 THR H H 116 8.832 8.832 8.446 0.386 19727 3473 1 6 . 1 1 117 117 TYR N N 117 125.712 125.712 126.437 -0.725 19727 3474 1 6 . 1 1 117 117 TYR HA H 117 4.950 4.950 5.789 -0.839 19727 3475 1 6 . 1 1 117 117 TYR CA C 117 56.430 56.430 56.170 0.260 19727 3476 1 6 . 1 1 117 117 TYR CB C 117 42.110 42.110 41.745 0.365 19727 3477 1 6 . 1 1 117 117 TYR H H 117 9.440 9.440 9.767 -0.327 19727 3478 1 6 . 1 1 118 118 VAL N N 118 120.314 120.314 119.568 0.746 19727 3479 1 6 . 1 1 118 118 VAL HA H 118 5.350 5.350 4.903 0.447 19727 3480 1 6 . 1 1 118 118 VAL CA C 118 62.170 62.170 61.184 0.987 19727 3481 1 6 . 1 1 118 118 VAL CB C 118 34.810 34.810 35.802 -0.992 19727 3482 1 6 . 1 1 118 118 VAL H H 118 9.026 9.026 9.392 -0.366 19727 3483 1 6 . 1 1 119 119 TYR N N 119 127.564 127.564 128.732 -1.168 19727 3484 1 6 . 1 1 119 119 TYR HA H 119 4.940 4.940 5.334 -0.394 19727 3485 1 6 . 1 1 119 119 TYR CA C 119 58.170 58.170 56.320 1.850 19727 3486 1 6 . 1 1 119 119 TYR CB C 119 43.490 43.490 40.960 2.530 19727 3487 1 6 . 1 1 119 119 TYR H H 119 9.041 9.041 9.310 -0.269 19727 3488 1 6 . 1 1 120 120 GLU N N 120 125.533 125.533 128.866 -3.333 19727 3489 1 6 . 1 1 120 120 GLU HA H 120 3.430 3.430 3.743 -0.313 19727 3490 1 6 . 1 1 120 120 GLU CA C 120 56.140 56.140 57.472 -1.332 19727 3491 1 6 . 1 1 120 120 GLU CB C 120 28.400 28.400 27.821 0.579 19727 3492 1 6 . 1 1 120 120 GLU H H 120 9.509 9.509 8.616 0.893 19727 3493 1 6 . 1 1 121 121 GLY N N 121 102.076 102.076 107.859 -5.783 19727 3494 1 6 . 1 1 121 121 GLY CA C 121 45.480 45.480 45.582 -0.102 19727 3495 1 6 . 1 1 121 121 GLY H H 121 8.374 8.374 8.496 -0.122 19727 3496 1 6 . 1 1 122 122 VAL N N 122 123.797 123.797 121.164 2.633 19727 3497 1 6 . 1 1 122 122 VAL HA H 122 4.190 4.190 4.355 -0.165 19727 3498 1 6 . 1 1 122 122 VAL CA C 122 62.660 62.660 60.069 2.591 19727 3499 1 6 . 1 1 122 122 VAL CB C 122 32.980 32.980 33.205 -0.225 19727 3500 1 6 . 1 1 122 122 VAL H H 122 8.371 8.371 7.819 0.552 19727 3501 1 6 . 1 1 123 123 GLU N N 123 126.257 126.257 125.981 0.276 19727 3502 1 6 . 1 1 123 123 GLU HA H 123 5.670 5.670 5.345 0.325 19727 3503 1 6 . 1 1 123 123 GLU CA C 123 54.010 54.010 56.117 -2.107 19727 3504 1 6 . 1 1 123 123 GLU CB C 123 32.850 32.850 33.288 -0.438 19727 3505 1 6 . 1 1 123 123 GLU H H 123 8.511 8.511 9.081 -0.570 19727 3506 1 6 . 1 1 124 124 ALA N N 124 126.354 126.354 128.703 -2.349 19727 3507 1 6 . 1 1 124 124 ALA HA H 124 5.150 5.150 4.941 0.209 19727 3508 1 6 . 1 1 124 124 ALA CA C 124 50.860 50.860 50.381 0.479 19727 3509 1 6 . 1 1 124 124 ALA CB C 124 24.060 24.060 21.791 2.269 19727 3510 1 6 . 1 1 124 124 ALA H H 124 9.258 9.258 9.186 0.072 19727 3511 1 6 . 1 1 125 125 LYS N N 125 115.989 115.989 123.958 -7.969 19727 3512 1 6 . 1 1 125 125 LYS HA H 125 5.760 5.760 5.301 0.459 19727 3513 1 6 . 1 1 125 125 LYS CA C 125 55.130 55.130 55.159 -0.029 19727 3514 1 6 . 1 1 125 125 LYS CB C 125 38.130 38.130 35.960 2.170 19727 3515 1 6 . 1 1 125 125 LYS H H 125 8.847 8.847 8.552 0.295 19727 3516 1 6 . 1 1 126 126 ARG N N 126 120.557 120.557 125.280 -4.723 19727 3517 1 6 . 1 1 126 126 ARG HA H 126 4.750 4.750 4.694 0.056 19727 3518 1 6 . 1 1 126 126 ARG CA C 126 56.940 56.940 55.197 1.743 19727 3519 1 6 . 1 1 126 126 ARG CB C 126 34.040 34.040 32.852 1.188 19727 3520 1 6 . 1 1 126 126 ARG H H 126 9.241 9.241 9.262 -0.021 19727 3521 1 6 . 1 1 127 127 ILE N N 127 122.970 122.970 127.519 -4.549 19727 3522 1 6 . 1 1 127 127 ILE HA H 127 5.020 5.020 4.578 0.442 19727 3523 1 6 . 1 1 127 127 ILE CA C 127 61.670 61.670 61.317 0.353 19727 3524 1 6 . 1 1 127 127 ILE CB C 127 40.200 40.200 38.460 1.740 19727 3525 1 6 . 1 1 127 127 ILE H H 127 8.785 8.785 8.184 0.601 19727 3526 1 6 . 1 1 128 128 PHE N N 128 126.381 126.381 128.778 -2.397 19727 3527 1 6 . 1 1 128 128 PHE HA H 128 5.260 5.260 4.888 0.372 19727 3528 1 6 . 1 1 128 128 PHE CA C 128 56.050 56.050 56.596 -0.546 19727 3529 1 6 . 1 1 128 128 PHE CB C 128 42.730 42.730 43.121 -0.391 19727 3530 1 6 . 1 1 128 128 PHE H H 128 10.070 10.070 9.323 0.747 19727 3531 1 6 . 1 1 129 129 LYS N N 129 118.294 118.294 124.397 -6.103 19727 3532 1 6 . 1 1 129 129 LYS HA H 129 5.310 5.310 4.207 1.103 19727 3533 1 6 . 1 1 129 129 LYS CA C 129 54.740 54.740 53.420 1.320 19727 3534 1 6 . 1 1 129 129 LYS CB C 129 37.070 37.070 36.826 0.244 19727 3535 1 6 . 1 1 129 129 LYS H H 129 8.866 8.866 7.485 1.381 19727 3536 1 6 . 1 1 130 130 LYS N N 130 123.147 123.147 120.923 2.224 19727 3537 1 6 . 1 1 130 130 LYS HA H 130 4.090 4.090 4.247 -0.157 19727 3538 1 6 . 1 1 130 130 LYS CA C 130 57.790 57.790 54.605 3.185 19727 3539 1 6 . 1 1 130 130 LYS CB C 130 33.020 33.020 34.120 -1.100 19727 3540 1 6 . 1 1 130 130 LYS H H 130 9.057 9.057 8.132 0.925 19727 3541 1 7 . 1 1 2 2 PHE N N 2 113.067 113.067 120.660 -7.593 19727 3542 1 7 . 1 1 2 2 PHE HA H 2 4.440 4.440 4.568 -0.128 19727 3543 1 7 . 1 1 2 2 PHE CA C 2 59.610 59.610 57.763 1.847 19727 3544 1 7 . 1 1 2 2 PHE CB C 2 39.760 39.760 39.250 0.510 19727 3545 1 7 . 1 1 2 2 PHE H H 2 8.270 8.270 8.120 0.150 19727 3546 1 7 . 1 1 3 3 ASP N N 3 118.589 118.589 120.025 -1.436 19727 3547 1 7 . 1 1 3 3 ASP HA H 3 4.890 4.890 4.314 0.576 19727 3548 1 7 . 1 1 3 3 ASP CA C 3 55.030 55.030 55.600 -0.570 19727 3549 1 7 . 1 1 3 3 ASP CB C 3 39.460 39.460 40.100 -0.640 19727 3550 1 7 . 1 1 3 3 ASP H H 3 7.554 7.554 8.271 -0.717 19727 3551 1 7 . 1 1 4 4 SER N N 4 120.654 120.654 119.094 1.560 19727 3552 1 7 . 1 1 4 4 SER HA H 4 4.250 4.250 4.644 -0.394 19727 3553 1 7 . 1 1 4 4 SER CA C 4 59.530 59.530 58.376 1.154 19727 3554 1 7 . 1 1 4 4 SER CB C 4 65.300 65.300 65.675 -0.375 19727 3555 1 7 . 1 1 4 4 SER H H 4 8.250 8.250 7.797 0.453 19727 3556 1 7 . 1 1 5 5 THR N N 5 115.812 115.812 119.761 -3.949 19727 3557 1 7 . 1 1 5 5 THR HA H 5 5.160 5.160 4.555 0.605 19727 3558 1 7 . 1 1 5 5 THR CA C 5 63.480 63.480 64.017 -0.537 19727 3559 1 7 . 1 1 5 5 THR CB C 5 69.630 69.630 69.358 0.272 19727 3560 1 7 . 1 1 5 5 THR H H 5 8.041 8.041 8.488 -0.447 19727 3561 1 7 . 1 1 6 6 TRP N N 6 128.256 128.256 128.365 -0.109 19727 3562 1 7 . 1 1 6 6 TRP HA H 6 5.240 5.240 5.281 -0.041 19727 3563 1 7 . 1 1 6 6 TRP CA C 6 55.770 55.770 55.295 0.475 19727 3564 1 7 . 1 1 6 6 TRP CB C 6 32.800 32.800 31.379 1.421 19727 3565 1 7 . 1 1 6 6 TRP H H 6 9.514 9.514 8.768 0.746 19727 3566 1 7 . 1 1 7 7 LYS N N 7 122.895 122.895 124.871 -1.976 19727 3567 1 7 . 1 1 7 7 LYS HA H 7 5.490 5.490 4.887 0.603 19727 3568 1 7 . 1 1 7 7 LYS CA C 7 54.680 54.680 54.619 0.061 19727 3569 1 7 . 1 1 7 7 LYS CB C 7 35.840 35.840 36.303 -0.463 19727 3570 1 7 . 1 1 7 7 LYS H H 7 9.954 9.954 8.503 1.451 19727 3571 1 7 . 1 1 8 8 VAL N N 8 128.078 128.078 128.042 0.036 19727 3572 1 7 . 1 1 8 8 VAL HA H 8 3.280 3.280 4.100 -0.820 19727 3573 1 7 . 1 1 8 8 VAL CA C 8 64.810 64.810 63.850 0.960 19727 3574 1 7 . 1 1 8 8 VAL CB C 8 31.790 31.790 33.148 -1.358 19727 3575 1 7 . 1 1 8 8 VAL H H 8 8.780 8.780 8.212 0.568 19727 3576 1 7 . 1 1 9 9 ASP N N 9 127.565 127.565 128.218 -0.653 19727 3577 1 7 . 1 1 9 9 ASP HA H 9 4.930 4.930 4.636 0.294 19727 3578 1 7 . 1 1 9 9 ASP CA C 9 55.750 55.750 56.129 -0.379 19727 3579 1 7 . 1 1 9 9 ASP CB C 9 46.830 46.830 42.563 4.267 19727 3580 1 7 . 1 1 9 9 ASP H H 9 9.712 9.712 8.217 1.495 19727 3581 1 7 . 1 1 10 10 ARG N N 10 112.578 112.578 116.637 -4.059 19727 3582 1 7 . 1 1 10 10 ARG HA H 10 4.740 4.740 4.646 0.094 19727 3583 1 7 . 1 1 10 10 ARG CA C 10 55.200 55.200 54.769 0.431 19727 3584 1 7 . 1 1 10 10 ARG CB C 10 31.470 31.470 32.931 -1.462 19727 3585 1 7 . 1 1 10 10 ARG H H 10 7.823 7.823 7.626 0.197 19727 3586 1 7 . 1 1 11 11 SER N N 11 113.123 113.123 114.675 -1.552 19727 3587 1 7 . 1 1 11 11 SER HA H 11 5.270 5.270 4.720 0.550 19727 3588 1 7 . 1 1 11 11 SER CA C 11 57.490 57.490 57.270 0.221 19727 3589 1 7 . 1 1 11 11 SER CB C 11 66.620 66.620 66.546 0.075 19727 3590 1 7 . 1 1 11 11 SER H H 11 8.602 8.602 8.215 0.387 19727 3591 1 7 . 1 1 12 12 GLU N N 12 121.867 121.867 120.604 1.263 19727 3592 1 7 . 1 1 12 12 GLU HA H 12 4.760 4.760 4.543 0.217 19727 3593 1 7 . 1 1 12 12 GLU CA C 12 55.420 55.420 55.910 -0.490 19727 3594 1 7 . 1 1 12 12 GLU CB C 12 33.060 33.060 32.770 0.290 19727 3595 1 7 . 1 1 12 12 GLU H H 12 9.447 9.447 8.800 0.647 19727 3596 1 7 . 1 1 13 13 ASN N N 13 121.822 121.822 121.568 0.254 19727 3597 1 7 . 1 1 13 13 ASN HA H 13 4.720 4.720 4.343 0.377 19727 3598 1 7 . 1 1 13 13 ASN CA C 13 54.200 54.200 54.781 -0.581 19727 3599 1 7 . 1 1 13 13 ASN CB C 13 39.870 39.870 37.983 1.887 19727 3600 1 7 . 1 1 13 13 ASN H H 13 9.350 9.350 9.115 0.235 19727 3601 1 7 . 1 1 14 14 TYR N N 14 120.082 120.082 118.445 1.637 19727 3602 1 7 . 1 1 14 14 TYR HA H 14 4.290 4.290 3.834 0.456 19727 3603 1 7 . 1 1 14 14 TYR CA C 14 60.700 60.700 61.857 -1.157 19727 3604 1 7 . 1 1 14 14 TYR CB C 14 39.620 39.620 38.044 1.576 19727 3605 1 7 . 1 1 14 14 TYR H H 14 8.357 8.357 8.368 -0.011 19727 3606 1 7 . 1 1 15 15 ASP N N 15 118.245 118.245 118.272 -0.027 19727 3607 1 7 . 1 1 15 15 ASP HA H 15 4.060 4.060 4.322 -0.262 19727 3608 1 7 . 1 1 15 15 ASP CA C 15 58.620 58.620 58.088 0.532 19727 3609 1 7 . 1 1 15 15 ASP CB C 15 41.140 41.140 40.048 1.092 19727 3610 1 7 . 1 1 15 15 ASP H H 15 8.562 8.562 8.864 -0.302 19727 3611 1 7 . 1 1 16 16 LYS N N 16 118.806 118.806 119.789 -0.983 19727 3612 1 7 . 1 1 16 16 LYS HA H 16 4.050 4.050 4.138 -0.088 19727 3613 1 7 . 1 1 16 16 LYS CA C 16 58.610 58.610 59.499 -0.889 19727 3614 1 7 . 1 1 16 16 LYS CB C 16 31.550 31.550 32.455 -0.905 19727 3615 1 7 . 1 1 16 16 LYS H H 16 7.801 7.801 7.479 0.322 19727 3616 1 7 . 1 1 17 17 PHE N N 17 120.733 120.733 115.673 5.060 19727 3617 1 7 . 1 1 17 17 PHE HA H 17 4.020 4.020 4.399 -0.379 19727 3618 1 7 . 1 1 17 17 PHE CA C 17 61.620 61.620 59.781 1.839 19727 3619 1 7 . 1 1 17 17 PHE CB C 17 40.250 40.250 38.360 1.890 19727 3620 1 7 . 1 1 17 17 PHE H H 17 7.543 7.543 8.568 -1.025 19727 3621 1 7 . 1 1 18 18 MET N N 18 117.590 117.590 118.147 -0.557 19727 3622 1 7 . 1 1 18 18 MET HA H 18 3.210 3.210 4.225 -1.015 19727 3623 1 7 . 1 1 18 18 MET CA C 18 59.860 59.860 58.005 1.855 19727 3624 1 7 . 1 1 18 18 MET CB C 18 34.110 34.110 31.805 2.305 19727 3625 1 7 . 1 1 18 18 MET H H 18 8.063 8.063 8.009 0.054 19727 3626 1 7 . 1 1 19 19 GLU N N 19 120.480 120.480 119.892 0.588 19727 3627 1 7 . 1 1 19 19 GLU HA H 19 3.830 3.830 4.216 -0.386 19727 3628 1 7 . 1 1 19 19 GLU CA C 19 60.040 60.040 58.298 1.742 19727 3629 1 7 . 1 1 19 19 GLU CB C 19 29.790 29.790 29.222 0.568 19727 3630 1 7 . 1 1 19 19 GLU H H 19 8.430 8.430 7.890 0.540 19727 3631 1 7 . 1 1 20 20 LYS N N 20 122.631 122.631 119.838 2.793 19727 3632 1 7 . 1 1 20 20 LYS HA H 20 4.070 4.070 4.116 -0.046 19727 3633 1 7 . 1 1 20 20 LYS CA C 20 57.400 57.400 58.696 -1.296 19727 3634 1 7 . 1 1 20 20 LYS CB C 20 31.940 31.940 32.503 -0.563 19727 3635 1 7 . 1 1 20 20 LYS H H 20 8.080 8.080 7.703 0.377 19727 3636 1 7 . 1 1 21 21 MET N N 21 114.794 114.794 115.228 -0.434 19727 3637 1 7 . 1 1 21 21 MET HA H 21 3.810 3.810 4.053 -0.243 19727 3638 1 7 . 1 1 21 21 MET CA C 21 56.310 56.310 57.327 -1.017 19727 3639 1 7 . 1 1 21 21 MET CB C 21 32.729 32.729 33.267 -0.538 19727 3640 1 7 . 1 1 21 21 MET H H 21 7.554 7.554 7.493 0.061 19727 3641 1 7 . 1 1 22 22 GLY N N 22 107.423 107.423 107.082 0.341 19727 3642 1 7 . 1 1 22 22 GLY CA C 22 45.310 45.310 44.761 0.549 19727 3643 1 7 . 1 1 22 22 GLY H H 22 7.718 7.718 7.673 0.045 19727 3644 1 7 . 1 1 23 23 VAL N N 23 121.380 121.380 115.193 6.187 19727 3645 1 7 . 1 1 23 23 VAL HA H 23 3.770 3.770 4.480 -0.710 19727 3646 1 7 . 1 1 23 23 VAL CA C 23 62.650 62.650 59.704 2.946 19727 3647 1 7 . 1 1 23 23 VAL CB C 23 32.060 32.060 33.343 -1.283 19727 3648 1 7 . 1 1 23 23 VAL H H 23 7.491 7.491 7.895 -0.404 19727 3649 1 7 . 1 1 24 24 ASN N N 24 127.861 127.861 119.005 8.856 19727 3650 1 7 . 1 1 24 24 ASN HA H 24 4.430 4.430 4.790 -0.360 19727 3651 1 7 . 1 1 24 24 ASN CA C 24 54.090 54.090 53.380 0.710 19727 3652 1 7 . 1 1 24 24 ASN CB C 24 39.330 39.330 39.967 -0.637 19727 3653 1 7 . 1 1 24 24 ASN H H 24 8.780 8.780 8.201 0.579 19727 3654 1 7 . 1 1 25 25 ILE N N 25 121.002 121.002 121.375 -0.373 19727 3655 1 7 . 1 1 25 25 ILE HA H 25 3.660 3.660 4.117 -0.457 19727 3656 1 7 . 1 1 25 25 ILE CA C 25 65.350 65.350 62.192 3.158 19727 3657 1 7 . 1 1 25 25 ILE CB C 25 38.910 38.910 38.321 0.589 19727 3658 1 7 . 1 1 25 25 ILE H H 25 8.494 8.494 8.628 -0.134 19727 3659 1 7 . 1 1 26 26 VAL N N 26 121.014 121.014 119.757 1.257 19727 3660 1 7 . 1 1 26 26 VAL HA H 26 3.680 3.680 3.544 0.136 19727 3661 1 7 . 1 1 26 26 VAL CA C 26 66.080 66.080 67.301 -1.221 19727 3662 1 7 . 1 1 26 26 VAL CB C 26 31.930 31.930 30.936 0.994 19727 3663 1 7 . 1 1 26 26 VAL H H 26 7.569 7.569 8.378 -0.809 19727 3664 1 7 . 1 1 27 27 LYS N N 27 118.674 118.674 117.267 1.407 19727 3665 1 7 . 1 1 27 27 LYS HA H 27 4.140 4.140 4.118 0.022 19727 3666 1 7 . 1 1 27 27 LYS CA C 27 58.240 58.240 58.776 -0.536 19727 3667 1 7 . 1 1 27 27 LYS CB C 27 32.610 32.610 32.397 0.213 19727 3668 1 7 . 1 1 27 27 LYS H H 27 7.729 7.729 8.093 -0.364 19727 3669 1 7 . 1 1 28 28 ARG N N 28 119.667 119.667 120.170 -0.503 19727 3670 1 7 . 1 1 28 28 ARG HA H 28 3.740 3.740 4.009 -0.269 19727 3671 1 7 . 1 1 28 28 ARG CA C 28 60.040 60.040 58.617 1.423 19727 3672 1 7 . 1 1 28 28 ARG CB C 28 30.760 30.760 29.777 0.983 19727 3673 1 7 . 1 1 28 28 ARG H H 28 8.418 8.418 7.558 0.860 19727 3674 1 7 . 1 1 29 29 LYS N N 29 118.502 118.502 118.812 -0.310 19727 3675 1 7 . 1 1 29 29 LYS HA H 29 4.040 4.040 3.953 0.087 19727 3676 1 7 . 1 1 29 29 LYS CA C 29 59.460 59.460 59.816 -0.356 19727 3677 1 7 . 1 1 29 29 LYS CB C 29 32.440 32.440 32.291 0.149 19727 3678 1 7 . 1 1 29 29 LYS H H 29 7.611 7.611 8.401 -0.790 19727 3679 1 7 . 1 1 30 30 LEU N N 30 119.200 119.200 115.829 3.371 19727 3680 1 7 . 1 1 30 30 LEU HA H 30 4.170 4.170 4.443 -0.273 19727 3681 1 7 . 1 1 30 30 LEU CA C 30 57.560 57.560 55.394 2.166 19727 3682 1 7 . 1 1 30 30 LEU CB C 30 42.320 42.320 42.334 -0.014 19727 3683 1 7 . 1 1 30 30 LEU H H 30 7.292 7.292 7.342 -0.050 19727 3684 1 7 . 1 1 31 31 ALA N N 31 120.380 120.380 120.912 -0.532 19727 3685 1 7 . 1 1 31 31 ALA HA H 31 4.080 4.080 4.194 -0.114 19727 3686 1 7 . 1 1 31 31 ALA CA C 31 54.370 54.370 53.029 1.341 19727 3687 1 7 . 1 1 31 31 ALA CB C 31 19.300 19.300 18.465 0.835 19727 3688 1 7 . 1 1 31 31 ALA H H 31 8.257 8.257 8.068 0.189 19727 3689 1 7 . 1 1 32 32 ALA N N 32 117.152 117.152 120.503 -3.351 19727 3690 1 7 . 1 1 32 32 ALA HA H 32 4.130 4.130 3.550 0.580 19727 3691 1 7 . 1 1 32 32 ALA CA C 32 54.060 54.060 54.313 -0.253 19727 3692 1 7 . 1 1 32 32 ALA CB C 32 18.710 18.710 18.938 -0.228 19727 3693 1 7 . 1 1 32 32 ALA H H 32 7.320 7.320 8.017 -0.697 19727 3694 1 7 . 1 1 33 33 HIS N N 33 115.869 115.869 108.089 7.780 19727 3695 1 7 . 1 1 33 33 HIS HA H 33 5.000 5.000 4.353 0.647 19727 3696 1 7 . 1 1 33 33 HIS CA C 33 54.200 54.200 56.299 -2.099 19727 3697 1 7 . 1 1 33 33 HIS CB C 33 28.310 28.310 28.862 -0.552 19727 3698 1 7 . 1 1 33 33 HIS H H 33 7.675 7.675 7.773 -0.098 19727 3699 1 7 . 1 1 34 34 ASP N N 34 117.892 117.892 122.476 -4.584 19727 3700 1 7 . 1 1 34 34 ASP HA H 34 4.200 4.200 4.374 -0.174 19727 3701 1 7 . 1 1 34 34 ASP CA C 34 54.450 54.450 57.027 -2.577 19727 3702 1 7 . 1 1 34 34 ASP CB C 34 40.740 40.740 40.769 -0.029 19727 3703 1 7 . 1 1 34 34 ASP H H 34 7.430 7.430 7.870 -0.440 19727 3704 1 7 . 1 1 35 35 ASN N N 35 118.996 118.996 118.096 0.900 19727 3705 1 7 . 1 1 35 35 ASN HA H 35 4.310 4.310 4.795 -0.485 19727 3706 1 7 . 1 1 35 35 ASN CA C 35 53.650 53.650 52.434 1.216 19727 3707 1 7 . 1 1 35 35 ASN CB C 35 37.760 37.760 38.034 -0.274 19727 3708 1 7 . 1 1 35 35 ASN H H 35 9.086 9.086 8.073 1.013 19727 3709 1 7 . 1 1 36 36 LEU N N 36 118.708 118.708 122.380 -3.672 19727 3710 1 7 . 1 1 36 36 LEU CA C 36 57.330 57.330 54.390 2.940 19727 3711 1 7 . 1 1 36 36 LEU CB C 36 42.810 42.810 45.503 -2.693 19727 3712 1 7 . 1 1 36 36 LEU H H 36 6.914 6.914 7.499 -0.585 19727 3713 1 7 . 1 1 37 37 LYS N N 37 126.148 126.148 127.439 -1.291 19727 3714 1 7 . 1 1 37 37 LYS HA H 37 5.650 5.650 4.809 0.841 19727 3715 1 7 . 1 1 37 37 LYS CA C 37 55.170 55.170 54.583 0.587 19727 3716 1 7 . 1 1 37 37 LYS CB C 37 36.200 36.200 34.123 2.077 19727 3717 1 7 . 1 1 37 37 LYS H H 37 9.246 9.246 8.222 1.024 19727 3718 1 7 . 1 1 38 38 LEU N N 38 122.300 122.300 129.452 -7.152 19727 3719 1 7 . 1 1 38 38 LEU HA H 38 5.550 5.550 4.747 0.803 19727 3720 1 7 . 1 1 38 38 LEU CA C 38 52.870 52.870 53.648 -0.778 19727 3721 1 7 . 1 1 38 38 LEU CB C 38 46.720 46.720 44.831 1.889 19727 3722 1 7 . 1 1 38 38 LEU H H 38 9.324 9.324 9.233 0.091 19727 3723 1 7 . 1 1 39 39 THR N N 39 120.586 120.586 122.228 -1.642 19727 3724 1 7 . 1 1 39 39 THR HA H 39 5.280 5.280 4.868 0.412 19727 3725 1 7 . 1 1 39 39 THR CA C 39 62.950 62.950 61.360 1.590 19727 3726 1 7 . 1 1 39 39 THR CB C 39 70.590 70.590 70.849 -0.259 19727 3727 1 7 . 1 1 39 39 THR H H 39 9.191 9.191 8.217 0.974 19727 3728 1 7 . 1 1 40 40 ILE N N 40 128.371 128.371 123.261 5.110 19727 3729 1 7 . 1 1 40 40 ILE HA H 40 4.860 4.860 4.446 0.414 19727 3730 1 7 . 1 1 40 40 ILE CA C 40 61.570 61.570 60.036 1.534 19727 3731 1 7 . 1 1 40 40 ILE CB C 40 40.060 40.060 41.016 -0.956 19727 3732 1 7 . 1 1 40 40 ILE H H 40 8.531 8.531 8.617 -0.086 19727 3733 1 7 . 1 1 41 41 THR N N 41 120.285 120.285 119.541 0.744 19727 3734 1 7 . 1 1 41 41 THR HA H 41 4.510 4.510 5.143 -0.633 19727 3735 1 7 . 1 1 41 41 THR CA C 41 60.930 60.930 60.440 0.490 19727 3736 1 7 . 1 1 41 41 THR CB C 41 71.450 71.450 71.415 0.035 19727 3737 1 7 . 1 1 41 41 THR H H 41 8.624 8.624 8.170 0.454 19727 3738 1 7 . 1 1 42 42 GLN N N 42 126.369 126.369 121.673 4.696 19727 3739 1 7 . 1 1 42 42 GLN CA C 42 54.400 54.400 55.607 -1.207 19727 3740 1 7 . 1 1 42 42 GLN CB C 42 30.560 30.560 30.640 -0.080 19727 3741 1 7 . 1 1 42 42 GLN H H 42 9.050 9.050 8.608 0.442 19727 3742 1 7 . 1 1 43 43 GLU N N 43 128.036 128.036 126.133 1.903 19727 3743 1 7 . 1 1 43 43 GLU HA H 43 4.400 4.400 4.523 -0.123 19727 3744 1 7 . 1 1 43 43 GLU CA C 43 55.020 55.020 56.251 -1.231 19727 3745 1 7 . 1 1 43 43 GLU CB C 43 31.630 31.630 31.538 0.092 19727 3746 1 7 . 1 1 43 43 GLU H H 43 8.807 8.807 8.607 0.200 19727 3747 1 7 . 1 1 44 44 GLY N N 44 117.000 117.000 114.124 2.876 19727 3748 1 7 . 1 1 44 44 GLY CA C 44 47.460 47.460 46.718 0.743 19727 3749 1 7 . 1 1 44 44 GLY H H 44 9.060 9.060 8.353 0.707 19727 3750 1 7 . 1 1 45 45 ASN N N 45 124.910 124.910 120.538 4.372 19727 3751 1 7 . 1 1 45 45 ASN HA H 45 4.830 4.830 4.516 0.314 19727 3752 1 7 . 1 1 45 45 ASN CA C 45 53.040 53.040 53.055 -0.015 19727 3753 1 7 . 1 1 45 45 ASN CB C 45 39.050 39.050 38.085 0.965 19727 3754 1 7 . 1 1 45 45 ASN H H 45 8.769 8.769 8.526 0.243 19727 3755 1 7 . 1 1 46 46 LYS N N 46 120.293 120.293 119.264 1.029 19727 3756 1 7 . 1 1 46 46 LYS HA H 46 4.890 4.890 4.797 0.093 19727 3757 1 7 . 1 1 46 46 LYS CA C 46 55.760 55.760 55.150 0.610 19727 3758 1 7 . 1 1 46 46 LYS CB C 46 34.610 34.610 35.713 -1.103 19727 3759 1 7 . 1 1 46 46 LYS H H 46 7.873 7.873 7.710 0.163 19727 3760 1 7 . 1 1 47 47 PHE N N 47 127.531 127.531 118.371 9.160 19727 3761 1 7 . 1 1 47 47 PHE HA H 47 4.700 4.700 5.168 -0.468 19727 3762 1 7 . 1 1 47 47 PHE CA C 47 56.450 56.450 55.252 1.198 19727 3763 1 7 . 1 1 47 47 PHE CB C 47 43.050 43.050 42.726 0.324 19727 3764 1 7 . 1 1 47 47 PHE H H 47 9.130 9.130 9.119 0.011 19727 3765 1 7 . 1 1 48 48 THR N N 48 115.162 115.162 117.370 -2.208 19727 3766 1 7 . 1 1 48 48 THR HA H 48 4.770 4.770 4.508 0.262 19727 3767 1 7 . 1 1 48 48 THR CA C 48 62.090 62.090 61.777 0.313 19727 3768 1 7 . 1 1 48 48 THR CB C 48 70.280 70.280 69.819 0.461 19727 3769 1 7 . 1 1 48 48 THR H H 48 8.318 8.318 8.469 -0.151 19727 3770 1 7 . 1 1 49 49 VAL N N 49 127.272 127.272 126.247 1.025 19727 3771 1 7 . 1 1 49 49 VAL HA H 49 4.840 4.840 4.315 0.525 19727 3772 1 7 . 1 1 49 49 VAL CA C 49 61.110 61.110 61.232 -0.122 19727 3773 1 7 . 1 1 49 49 VAL CB C 49 34.330 34.330 32.614 1.716 19727 3774 1 7 . 1 1 49 49 VAL H H 49 9.580 9.580 7.536 2.044 19727 3775 1 7 . 1 1 50 50 LYS N N 50 127.439 127.439 129.046 -1.607 19727 3776 1 7 . 1 1 50 50 LYS HA H 50 4.993 4.993 4.560 0.433 19727 3777 1 7 . 1 1 50 50 LYS CA C 50 55.500 55.500 55.322 0.178 19727 3778 1 7 . 1 1 50 50 LYS CB C 50 33.320 33.320 34.225 -0.905 19727 3779 1 7 . 1 1 50 50 LYS H H 50 9.175 9.175 8.774 0.401 19727 3780 1 7 . 1 1 51 51 GLU N N 51 128.140 128.140 126.117 2.023 19727 3781 1 7 . 1 1 51 51 GLU HA H 51 5.090 5.090 5.301 -0.210 19727 3782 1 7 . 1 1 51 51 GLU CA C 51 55.160 55.160 55.387 -0.227 19727 3783 1 7 . 1 1 51 51 GLU CB C 51 31.450 31.450 32.910 -1.460 19727 3784 1 7 . 1 1 51 51 GLU H H 51 9.173 9.173 8.977 0.196 19727 3785 1 7 . 1 1 52 52 SER N N 52 120.997 120.997 120.316 0.681 19727 3786 1 7 . 1 1 52 52 SER CA C 52 56.630 56.630 57.934 -1.304 19727 3787 1 7 . 1 1 52 52 SER CB C 52 65.290 65.290 66.096 -0.806 19727 3788 1 7 . 1 1 52 52 SER H H 52 9.015 9.015 8.125 0.890 19727 3789 1 7 . 1 1 53 53 SER N N 53 117.567 117.567 118.861 -1.294 19727 3790 1 7 . 1 1 53 53 SER CA C 53 56.780 56.780 57.143 -0.363 19727 3791 1 7 . 1 1 53 53 SER CB C 53 68.320 68.320 66.207 2.113 19727 3792 1 7 . 1 1 53 53 SER H H 53 9.013 9.013 7.961 1.052 19727 3793 1 7 . 1 1 54 54 ALA N N 54 119.830 119.830 124.938 -5.108 19727 3794 1 7 . 1 1 54 54 ALA HA H 54 4.030 4.030 3.875 0.155 19727 3795 1 7 . 1 1 54 54 ALA CA C 54 54.030 54.030 54.612 -0.582 19727 3796 1 7 . 1 1 54 54 ALA CB C 54 18.380 18.380 18.777 -0.397 19727 3797 1 7 . 1 1 54 54 ALA H H 54 9.009 9.009 8.588 0.421 19727 3798 1 7 . 1 1 55 55 PHE N N 55 112.640 112.640 115.257 -2.617 19727 3799 1 7 . 1 1 55 55 PHE H H 55 8.050 8.050 8.076 -0.026 19727 3800 1 7 . 1 1 57 57 ASN N N 57 119.170 119.170 118.353 0.817 19727 3801 1 7 . 1 1 57 57 ASN HA H 57 5.840 5.840 5.046 0.794 19727 3802 1 7 . 1 1 57 57 ASN CA C 57 53.190 53.190 52.679 0.510 19727 3803 1 7 . 1 1 57 57 ASN CB C 57 40.990 40.990 41.022 -0.032 19727 3804 1 7 . 1 1 57 57 ASN H H 57 8.487 8.487 8.453 0.034 19727 3805 1 7 . 1 1 58 58 ILE N N 58 117.653 117.653 121.566 -3.913 19727 3806 1 7 . 1 1 58 58 ILE HA H 58 4.860 4.860 4.517 0.343 19727 3807 1 7 . 1 1 58 58 ILE CA C 58 60.150 60.150 60.420 -0.271 19727 3808 1 7 . 1 1 58 58 ILE CB C 58 43.590 43.590 42.812 0.778 19727 3809 1 7 . 1 1 58 58 ILE H H 58 8.803 8.803 8.397 0.406 19727 3810 1 7 . 1 1 59 59 GLU N N 59 123.376 123.376 121.543 1.833 19727 3811 1 7 . 1 1 59 59 GLU HA H 59 5.260 5.260 4.533 0.727 19727 3812 1 7 . 1 1 59 59 GLU CA C 59 60.170 60.170 55.671 4.499 19727 3813 1 7 . 1 1 59 59 GLU CB C 59 32.900 32.900 32.417 0.483 19727 3814 1 7 . 1 1 59 59 GLU H H 59 8.519 8.519 8.178 0.341 19727 3815 1 7 . 1 1 60 60 VAL N N 60 127.157 127.157 113.983 13.174 19727 3816 1 7 . 1 1 60 60 VAL HA H 60 4.460 4.460 4.010 0.450 19727 3817 1 7 . 1 1 60 60 VAL CA C 60 61.730 61.730 60.926 0.804 19727 3818 1 7 . 1 1 60 60 VAL CB C 60 35.030 35.030 33.656 1.374 19727 3819 1 7 . 1 1 60 60 VAL H H 60 9.227 9.227 8.272 0.955 19727 3820 1 7 . 1 1 61 61 VAL N N 61 125.109 125.109 124.860 0.249 19727 3821 1 7 . 1 1 61 61 VAL HA H 61 5.160 5.160 3.789 1.371 19727 3822 1 7 . 1 1 61 61 VAL CA C 61 60.350 60.350 62.959 -2.609 19727 3823 1 7 . 1 1 61 61 VAL CB C 61 34.600 34.600 32.402 2.198 19727 3824 1 7 . 1 1 61 61 VAL H H 61 8.179 8.179 7.838 0.341 19727 3825 1 7 . 1 1 62 62 PHE N N 62 121.713 121.713 124.642 -2.929 19727 3826 1 7 . 1 1 62 62 PHE HA H 62 4.840 4.840 4.840 -0.000 19727 3827 1 7 . 1 1 62 62 PHE CA C 62 55.320 55.320 56.337 -1.017 19727 3828 1 7 . 1 1 62 62 PHE CB C 62 41.060 41.060 43.059 -2.000 19727 3829 1 7 . 1 1 62 62 PHE H H 62 8.432 8.432 8.927 -0.495 19727 3830 1 7 . 1 1 63 63 GLU N N 63 119.775 119.775 120.304 -0.529 19727 3831 1 7 . 1 1 63 63 GLU HA H 63 5.330 5.330 4.812 0.518 19727 3832 1 7 . 1 1 63 63 GLU CA C 63 53.700 53.700 54.735 -1.035 19727 3833 1 7 . 1 1 63 63 GLU CB C 63 32.720 32.720 34.400 -1.680 19727 3834 1 7 . 1 1 63 63 GLU H H 63 9.386 9.386 8.970 0.416 19727 3835 1 7 . 1 1 64 64 LEU N N 64 124.568 124.568 124.070 0.498 19727 3836 1 7 . 1 1 64 64 LEU HA H 64 4.530 4.530 4.274 0.256 19727 3837 1 7 . 1 1 64 64 LEU CA C 64 56.770 56.770 55.928 0.842 19727 3838 1 7 . 1 1 64 64 LEU CB C 64 41.390 41.390 40.949 0.441 19727 3839 1 7 . 1 1 64 64 LEU H H 64 8.834 8.834 8.470 0.364 19727 3840 1 7 . 1 1 65 65 GLY N N 65 108.336 108.336 113.045 -4.709 19727 3841 1 7 . 1 1 65 65 GLY CA C 65 46.210 46.210 44.813 1.397 19727 3842 1 7 . 1 1 65 65 GLY H H 65 9.299 9.299 8.659 0.640 19727 3843 1 7 . 1 1 66 66 VAL N N 66 121.972 121.972 119.369 2.603 19727 3844 1 7 . 1 1 66 66 VAL HA H 66 4.380 4.380 4.374 0.006 19727 3845 1 7 . 1 1 66 66 VAL CA C 66 62.660 62.660 60.134 2.526 19727 3846 1 7 . 1 1 66 66 VAL CB C 66 32.900 32.900 34.761 -1.861 19727 3847 1 7 . 1 1 66 66 VAL H H 66 7.905 7.905 7.566 0.339 19727 3848 1 7 . 1 1 67 67 THR N N 67 129.168 129.168 119.840 9.328 19727 3849 1 7 . 1 1 67 67 THR HA H 67 4.390 4.390 4.484 -0.094 19727 3850 1 7 . 1 1 67 67 THR CA C 67 64.580 64.580 64.018 0.562 19727 3851 1 7 . 1 1 67 67 THR CB C 67 69.140 69.140 69.494 -0.354 19727 3852 1 7 . 1 1 67 67 THR H H 67 8.784 8.784 8.486 0.298 19727 3853 1 7 . 1 1 68 68 PHE N N 68 126.387 126.387 121.060 5.327 19727 3854 1 7 . 1 1 68 68 PHE HA H 68 5.120 5.120 4.568 0.552 19727 3855 1 7 . 1 1 68 68 PHE CA C 68 56.240 56.240 57.114 -0.874 19727 3856 1 7 . 1 1 68 68 PHE CB C 68 41.980 41.980 41.703 0.277 19727 3857 1 7 . 1 1 68 68 PHE H H 68 9.687 9.687 8.415 1.272 19727 3858 1 7 . 1 1 69 69 ASN N N 69 116.298 116.298 118.852 -2.554 19727 3859 1 7 . 1 1 69 69 ASN HA H 69 5.340 5.340 5.204 0.136 19727 3860 1 7 . 1 1 69 69 ASN CA C 69 51.630 51.630 53.309 -1.679 19727 3861 1 7 . 1 1 69 69 ASN CB C 69 40.640 40.640 41.965 -1.325 19727 3862 1 7 . 1 1 69 69 ASN H H 69 8.370 8.370 8.590 -0.220 19727 3863 1 7 . 1 1 70 70 TYR N N 70 120.913 120.913 119.961 0.952 19727 3864 1 7 . 1 1 70 70 TYR H H 70 8.655 8.655 8.389 0.266 19727 3865 1 7 . 1 1 73 73 ALA HA H 73 3.760 3.760 4.117 -0.357 19727 3866 1 7 . 1 1 73 73 ALA CA C 73 53.600 53.600 54.844 -1.244 19727 3867 1 7 . 1 1 73 73 ALA CB C 73 17.960 17.960 18.776 -0.816 19727 3868 1 7 . 1 1 74 74 ASP N N 74 113.641 113.641 118.991 -5.350 19727 3869 1 7 . 1 1 74 74 ASP CA C 74 52.960 52.960 54.928 -1.968 19727 3870 1 7 . 1 1 74 74 ASP CB C 74 39.210 39.210 38.787 0.423 19727 3871 1 7 . 1 1 74 74 ASP H H 74 8.575 8.575 8.412 0.163 19727 3872 1 7 . 1 1 75 75 GLY N N 75 107.874 107.874 107.335 0.539 19727 3873 1 7 . 1 1 75 75 GLY CA C 75 44.800 44.800 45.253 -0.453 19727 3874 1 7 . 1 1 75 75 GLY H H 75 7.745 7.745 8.513 -0.768 19727 3875 1 7 . 1 1 76 76 THR N N 76 119.192 119.192 114.977 4.215 19727 3876 1 7 . 1 1 76 76 THR CA C 76 64.980 64.980 63.680 1.300 19727 3877 1 7 . 1 1 76 76 THR CB C 76 68.240 68.240 69.162 -0.922 19727 3878 1 7 . 1 1 76 76 THR H H 76 7.724 7.724 8.036 -0.312 19727 3879 1 7 . 1 1 77 77 GLU N N 77 128.678 128.678 121.161 7.517 19727 3880 1 7 . 1 1 77 77 GLU CA C 77 56.450 56.450 56.302 0.148 19727 3881 1 7 . 1 1 77 77 GLU CB C 77 31.500 31.500 30.205 1.295 19727 3882 1 7 . 1 1 77 77 GLU H H 77 8.468 8.468 8.608 -0.140 19727 3883 1 7 . 1 1 78 78 LEU N N 78 124.431 124.431 125.160 -0.729 19727 3884 1 7 . 1 1 78 78 LEU HA H 78 5.130 5.130 5.160 -0.030 19727 3885 1 7 . 1 1 78 78 LEU CA C 78 53.230 53.230 54.246 -1.016 19727 3886 1 7 . 1 1 78 78 LEU CB C 78 45.400 45.400 45.527 -0.127 19727 3887 1 7 . 1 1 78 78 LEU H H 78 8.875 8.875 7.843 1.032 19727 3888 1 7 . 1 1 79 79 ARG HA H 79 5.390 5.390 5.183 0.207 19727 3889 1 7 . 1 1 79 79 ARG CA C 79 54.560 54.560 54.777 -0.217 19727 3890 1 7 . 1 1 79 79 ARG CB C 79 33.860 33.860 33.248 0.612 19727 3891 1 7 . 1 1 80 80 GLY N N 80 115.450 115.450 110.423 5.027 19727 3892 1 7 . 1 1 80 80 GLY CA C 80 46.730 46.730 45.477 1.253 19727 3893 1 7 . 1 1 80 80 GLY H H 80 9.026 9.026 8.356 0.670 19727 3894 1 7 . 1 1 81 81 THR N N 81 106.379 106.379 111.715 -5.336 19727 3895 1 7 . 1 1 81 81 THR HA H 81 4.680 4.680 4.850 -0.170 19727 3896 1 7 . 1 1 81 81 THR CA C 81 59.010 59.010 60.845 -1.835 19727 3897 1 7 . 1 1 81 81 THR CB C 81 73.140 73.140 71.077 2.063 19727 3898 1 7 . 1 1 81 81 THR H H 81 6.937 6.937 8.129 -1.192 19727 3899 1 7 . 1 1 82 82 TRP N N 82 120.025 120.025 120.675 -0.650 19727 3900 1 7 . 1 1 82 82 TRP HA H 82 5.350 5.350 5.090 0.260 19727 3901 1 7 . 1 1 82 82 TRP CA C 82 56.400 56.400 56.772 -0.372 19727 3902 1 7 . 1 1 82 82 TRP CB C 82 33.630 33.630 33.599 0.031 19727 3903 1 7 . 1 1 82 82 TRP H H 82 9.126 9.126 8.072 1.054 19727 3904 1 7 . 1 1 83 83 SER N N 83 115.180 115.180 116.849 -1.669 19727 3905 1 7 . 1 1 83 83 SER HA H 83 5.490 5.490 4.786 0.704 19727 3906 1 7 . 1 1 83 83 SER CA C 83 57.080 57.080 57.638 -0.558 19727 3907 1 7 . 1 1 83 83 SER CB C 83 65.680 65.680 66.251 -0.571 19727 3908 1 7 . 1 1 83 83 SER H H 83 9.045 9.045 8.932 0.113 19727 3909 1 7 . 1 1 84 84 LEU N N 84 125.420 125.420 123.660 1.760 19727 3910 1 7 . 1 1 84 84 LEU HA H 84 5.200 5.200 4.455 0.745 19727 3911 1 7 . 1 1 84 84 LEU CA C 84 54.600 54.600 54.606 -0.006 19727 3912 1 7 . 1 1 84 84 LEU CB C 84 45.130 45.130 44.949 0.181 19727 3913 1 7 . 1 1 84 84 LEU H H 84 8.889 8.889 8.489 0.400 19727 3914 1 7 . 1 1 85 85 GLU N N 85 127.397 127.397 124.394 3.003 19727 3915 1 7 . 1 1 85 85 GLU HA H 85 4.610 4.610 4.567 0.043 19727 3916 1 7 . 1 1 85 85 GLU CA C 85 55.310 55.310 55.315 -0.004 19727 3917 1 7 . 1 1 85 85 GLU CB C 85 31.470 31.470 30.750 0.720 19727 3918 1 7 . 1 1 85 85 GLU H H 85 8.964 8.964 8.966 -0.002 19727 3919 1 7 . 1 1 86 86 GLY N N 86 117.395 117.395 115.502 1.893 19727 3920 1 7 . 1 1 86 86 GLY CA C 86 47.580 47.580 47.124 0.456 19727 3921 1 7 . 1 1 86 86 GLY H H 86 9.039 9.039 8.748 0.291 19727 3922 1 7 . 1 1 87 87 ASN N N 87 122.457 122.457 123.536 -1.079 19727 3923 1 7 . 1 1 87 87 ASN HA H 87 4.820 4.820 4.857 -0.037 19727 3924 1 7 . 1 1 87 87 ASN CA C 87 53.170 53.170 52.568 0.602 19727 3925 1 7 . 1 1 87 87 ASN CB C 87 38.800 38.800 39.261 -0.461 19727 3926 1 7 . 1 1 87 87 ASN H H 87 8.765 8.765 8.536 0.229 19727 3927 1 7 . 1 1 88 88 LYS N N 88 117.971 117.971 118.897 -0.926 19727 3928 1 7 . 1 1 88 88 LYS HA H 88 4.960 4.960 4.930 0.030 19727 3929 1 7 . 1 1 88 88 LYS CA C 88 56.000 56.000 54.593 1.407 19727 3930 1 7 . 1 1 88 88 LYS CB C 88 35.580 35.580 35.185 0.395 19727 3931 1 7 . 1 1 88 88 LYS H H 88 7.986 7.986 7.640 0.346 19727 3932 1 7 . 1 1 89 89 LEU N N 89 122.876 122.876 122.873 0.003 19727 3933 1 7 . 1 1 89 89 LEU HA H 89 5.010 5.010 4.979 0.031 19727 3934 1 7 . 1 1 89 89 LEU CA C 89 53.450 53.450 52.398 1.052 19727 3935 1 7 . 1 1 89 89 LEU CB C 89 43.856 43.856 42.776 1.080 19727 3936 1 7 . 1 1 89 89 LEU H H 89 8.622 8.622 9.073 -0.451 19727 3937 1 7 . 1 1 90 90 ILE N N 90 124.780 124.780 119.947 4.833 19727 3938 1 7 . 1 1 90 90 ILE HA H 90 4.600 4.600 4.862 -0.262 19727 3939 1 7 . 1 1 90 90 ILE CA C 90 60.250 60.250 59.779 0.471 19727 3940 1 7 . 1 1 90 90 ILE CB C 90 38.760 38.760 41.104 -2.344 19727 3941 1 7 . 1 1 90 90 ILE H H 90 9.589 9.589 9.006 0.583 19727 3942 1 7 . 1 1 91 91 GLY N N 91 121.700 121.700 111.868 9.832 19727 3943 1 7 . 1 1 91 91 GLY CA C 91 44.680 44.680 43.675 1.005 19727 3944 1 7 . 1 1 91 91 GLY H H 91 9.620 9.620 9.013 0.607 19727 3945 1 7 . 1 1 92 92 LYS N N 92 127.600 127.600 117.258 10.342 19727 3946 1 7 . 1 1 92 92 LYS HA H 92 4.710 4.710 5.034 -0.324 19727 3947 1 7 . 1 1 92 92 LYS CA C 92 55.450 55.450 54.584 0.866 19727 3948 1 7 . 1 1 92 92 LYS CB C 92 33.530 33.530 36.130 -2.600 19727 3949 1 7 . 1 1 92 92 LYS H H 92 7.730 7.730 8.479 -0.749 19727 3950 1 7 . 1 1 93 93 PHE N N 93 122.003 122.003 119.798 2.205 19727 3951 1 7 . 1 1 93 93 PHE HA H 93 5.200 5.200 5.021 0.179 19727 3952 1 7 . 1 1 93 93 PHE CA C 93 55.960 55.960 56.631 -0.671 19727 3953 1 7 . 1 1 93 93 PHE CB C 93 44.350 44.350 44.024 0.326 19727 3954 1 7 . 1 1 93 93 PHE H H 93 8.443 8.443 9.003 -0.560 19727 3955 1 7 . 1 1 94 94 LYS N N 94 119.319 119.319 118.691 0.628 19727 3956 1 7 . 1 1 94 94 LYS HA H 94 5.050 5.050 5.434 -0.384 19727 3957 1 7 . 1 1 94 94 LYS CA C 94 55.150 55.150 54.996 0.154 19727 3958 1 7 . 1 1 94 94 LYS CB C 94 36.180 36.180 35.816 0.364 19727 3959 1 7 . 1 1 94 94 LYS H H 94 8.803 8.803 8.628 0.175 19727 3960 1 7 . 1 1 95 95 ARG N N 95 122.142 122.142 126.128 -3.986 19727 3961 1 7 . 1 1 95 95 ARG HA H 95 4.760 4.760 4.865 -0.105 19727 3962 1 7 . 1 1 95 95 ARG CA C 95 56.030 56.030 56.212 -0.181 19727 3963 1 7 . 1 1 95 95 ARG CB C 95 31.720 31.720 31.311 0.409 19727 3964 1 7 . 1 1 95 95 ARG H H 95 8.738 8.738 8.574 0.164 19727 3965 1 7 . 1 1 96 96 THR N N 96 117.210 117.210 116.574 0.636 19727 3966 1 7 . 1 1 96 96 THR HA H 96 4.060 4.060 4.119 -0.059 19727 3967 1 7 . 1 1 96 96 THR CA C 96 64.140 64.140 65.124 -0.984 19727 3968 1 7 . 1 1 96 96 THR CB C 96 68.570 68.570 68.861 -0.291 19727 3969 1 7 . 1 1 96 96 THR H H 96 8.520 8.520 8.789 -0.269 19727 3970 1 7 . 1 1 97 97 ASP N N 97 120.647 120.647 120.361 0.286 19727 3971 1 7 . 1 1 97 97 ASP HA H 97 4.330 4.330 4.434 -0.104 19727 3972 1 7 . 1 1 97 97 ASP CA C 97 56.200 56.200 56.267 -0.068 19727 3973 1 7 . 1 1 97 97 ASP CB C 97 38.860 38.860 41.086 -2.226 19727 3974 1 7 . 1 1 97 97 ASP H H 97 8.932 8.932 8.475 0.457 19727 3975 1 7 . 1 1 98 98 ASN N N 98 116.362 116.362 115.243 1.119 19727 3976 1 7 . 1 1 98 98 ASN HA H 98 4.750 4.750 4.724 0.026 19727 3977 1 7 . 1 1 98 98 ASN CA C 98 51.640 51.640 53.470 -1.830 19727 3978 1 7 . 1 1 98 98 ASN CB C 98 39.340 39.340 39.135 0.205 19727 3979 1 7 . 1 1 98 98 ASN H H 98 8.614 8.614 7.549 1.065 19727 3980 1 7 . 1 1 99 99 GLY N N 99 107.794 107.794 108.960 -1.166 19727 3981 1 7 . 1 1 99 99 GLY CA C 99 46.300 46.300 46.165 0.135 19727 3982 1 7 . 1 1 99 99 GLY H H 99 7.811 7.811 8.287 -0.476 19727 3983 1 7 . 1 1 100 100 ASN N N 100 118.972 118.972 119.416 -0.444 19727 3984 1 7 . 1 1 100 100 ASN HA H 100 4.690 4.690 4.507 0.183 19727 3985 1 7 . 1 1 100 100 ASN CA C 100 53.210 53.210 53.945 -0.735 19727 3986 1 7 . 1 1 100 100 ASN CB C 100 38.970 38.970 39.980 -1.010 19727 3987 1 7 . 1 1 100 100 ASN H H 100 8.416 8.416 8.024 0.392 19727 3988 1 7 . 1 1 101 101 GLU N N 101 119.642 119.642 121.354 -1.712 19727 3989 1 7 . 1 1 101 101 GLU HA H 101 4.790 4.790 4.374 0.416 19727 3990 1 7 . 1 1 101 101 GLU CA C 101 57.020 57.020 57.298 -0.278 19727 3991 1 7 . 1 1 101 101 GLU CB C 101 31.970 31.970 30.852 1.118 19727 3992 1 7 . 1 1 101 101 GLU H H 101 8.730 8.730 8.362 0.368 19727 3993 1 7 . 1 1 102 102 LEU N N 102 125.033 125.033 126.924 -1.891 19727 3994 1 7 . 1 1 102 102 LEU HA H 102 5.200 5.200 5.404 -0.204 19727 3995 1 7 . 1 1 102 102 LEU CA C 102 55.260 55.260 54.313 0.947 19727 3996 1 7 . 1 1 102 102 LEU CB C 102 45.870 45.870 46.148 -0.278 19727 3997 1 7 . 1 1 102 102 LEU H H 102 8.908 8.908 8.154 0.754 19727 3998 1 7 . 1 1 103 103 ASN N N 103 123.919 123.919 126.511 -2.592 19727 3999 1 7 . 1 1 103 103 ASN HA H 103 5.670 5.670 5.323 0.347 19727 4000 1 7 . 1 1 103 103 ASN CA C 103 52.150 52.150 52.465 -0.315 19727 4001 1 7 . 1 1 103 103 ASN CB C 103 41.970 41.970 41.633 0.337 19727 4002 1 7 . 1 1 103 103 ASN H H 103 8.452 8.452 9.672 -1.220 19727 4003 1 7 . 1 1 104 104 THR N N 104 117.100 117.100 113.643 3.457 19727 4004 1 7 . 1 1 104 104 THR HA H 104 5.530 5.530 4.763 0.767 19727 4005 1 7 . 1 1 104 104 THR CA C 104 58.550 58.550 61.184 -2.634 19727 4006 1 7 . 1 1 104 104 THR CB C 104 70.450 70.450 70.104 0.346 19727 4007 1 7 . 1 1 104 104 THR H H 104 9.050 9.050 8.943 0.107 19727 4008 1 7 . 1 1 105 105 VAL HA H 105 5.290 5.290 4.235 1.055 19727 4009 1 7 . 1 1 105 105 VAL CA C 105 61.070 61.070 61.540 -0.470 19727 4010 1 7 . 1 1 105 105 VAL CB C 105 36.290 36.290 33.136 3.154 19727 4011 1 7 . 1 1 106 106 ARG N N 106 124.249 124.249 127.660 -3.411 19727 4012 1 7 . 1 1 106 106 ARG CA C 106 54.890 54.890 54.278 0.612 19727 4013 1 7 . 1 1 106 106 ARG CB C 106 33.890 33.890 32.103 1.787 19727 4014 1 7 . 1 1 106 106 ARG H H 106 9.466 9.466 9.271 0.195 19727 4015 1 7 . 1 1 107 107 GLU N N 107 120.784 120.784 124.604 -3.820 19727 4016 1 7 . 1 1 107 107 GLU HA H 107 4.960 4.960 4.677 0.283 19727 4017 1 7 . 1 1 107 107 GLU CA C 107 54.810 54.810 54.679 0.131 19727 4018 1 7 . 1 1 107 107 GLU CB C 107 33.800 33.800 32.000 1.800 19727 4019 1 7 . 1 1 107 107 GLU H H 107 8.605 8.605 8.809 -0.204 19727 4020 1 7 . 1 1 108 108 ILE N N 108 124.182 124.182 124.505 -0.323 19727 4021 1 7 . 1 1 108 108 ILE HA H 108 4.780 4.780 4.289 0.491 19727 4022 1 7 . 1 1 108 108 ILE CA C 108 59.050 59.050 60.690 -1.640 19727 4023 1 7 . 1 1 108 108 ILE CB C 108 36.670 36.670 36.576 0.094 19727 4024 1 7 . 1 1 108 108 ILE H H 108 8.732 8.732 8.094 0.638 19727 4025 1 7 . 1 1 109 109 ILE N N 109 129.631 129.631 131.474 -1.843 19727 4026 1 7 . 1 1 109 109 ILE HA H 109 4.250 4.250 4.099 0.151 19727 4027 1 7 . 1 1 109 109 ILE CA C 109 61.100 61.100 58.517 2.583 19727 4028 1 7 . 1 1 109 109 ILE CB C 109 39.290 39.290 36.164 3.126 19727 4029 1 7 . 1 1 109 109 ILE H H 109 8.903 8.903 8.186 0.717 19727 4030 1 7 . 1 1 110 110 GLY N N 110 119.473 119.473 114.711 4.762 19727 4031 1 7 . 1 1 110 110 GLY CA C 110 47.690 47.690 45.909 1.781 19727 4032 1 7 . 1 1 110 110 GLY H H 110 9.123 9.123 7.850 1.273 19727 4033 1 7 . 1 1 111 111 ASP N N 111 123.998 123.998 125.211 -1.213 19727 4034 1 7 . 1 1 111 111 ASP HA H 111 4.750 4.750 4.664 0.086 19727 4035 1 7 . 1 1 111 111 ASP CA C 111 54.100 54.100 54.991 -0.891 19727 4036 1 7 . 1 1 111 111 ASP CB C 111 41.490 41.490 41.164 0.326 19727 4037 1 7 . 1 1 111 111 ASP H H 111 8.699 8.699 8.673 0.026 19727 4038 1 7 . 1 1 112 112 GLU N N 112 118.194 118.194 116.539 1.655 19727 4039 1 7 . 1 1 112 112 GLU HA H 112 5.150 5.150 4.716 0.434 19727 4040 1 7 . 1 1 112 112 GLU CA C 112 55.560 55.560 54.166 1.394 19727 4041 1 7 . 1 1 112 112 GLU CB C 112 33.200 33.200 31.991 1.208 19727 4042 1 7 . 1 1 112 112 GLU H H 112 7.924 7.924 7.489 0.435 19727 4043 1 7 . 1 1 113 113 LEU N N 113 123.501 123.501 121.701 1.800 19727 4044 1 7 . 1 1 113 113 LEU HA H 113 4.400 4.400 5.097 -0.697 19727 4045 1 7 . 1 1 113 113 LEU CA C 113 54.140 54.140 53.465 0.675 19727 4046 1 7 . 1 1 113 113 LEU CB C 113 42.180 42.180 45.429 -3.249 19727 4047 1 7 . 1 1 113 113 LEU H H 113 7.851 7.851 8.348 -0.497 19727 4048 1 7 . 1 1 114 114 VAL N N 114 127.898 127.898 126.995 0.903 19727 4049 1 7 . 1 1 114 114 VAL HA H 114 4.520 4.520 4.659 -0.139 19727 4050 1 7 . 1 1 114 114 VAL CA C 114 62.290 62.290 60.316 1.974 19727 4051 1 7 . 1 1 114 114 VAL CB C 114 33.430 33.430 33.421 0.009 19727 4052 1 7 . 1 1 114 114 VAL H H 114 9.357 9.357 9.016 0.341 19727 4053 1 7 . 1 1 115 115 GLN N N 115 130.218 130.218 130.197 0.021 19727 4054 1 7 . 1 1 115 115 GLN HA H 115 5.710 5.710 5.448 0.262 19727 4055 1 7 . 1 1 115 115 GLN CA C 115 53.930 53.930 54.137 -0.207 19727 4056 1 7 . 1 1 115 115 GLN CB C 115 30.060 30.060 32.231 -2.171 19727 4057 1 7 . 1 1 115 115 GLN H H 115 9.552 9.552 9.332 0.220 19727 4058 1 7 . 1 1 116 116 THR N N 116 121.078 121.078 118.710 2.368 19727 4059 1 7 . 1 1 116 116 THR HA H 116 5.080 5.080 5.149 -0.069 19727 4060 1 7 . 1 1 116 116 THR CA C 116 61.800 61.800 61.438 0.362 19727 4061 1 7 . 1 1 116 116 THR CB C 116 70.470 70.470 70.007 0.463 19727 4062 1 7 . 1 1 116 116 THR H H 116 8.832 8.832 8.802 0.030 19727 4063 1 7 . 1 1 117 117 TYR N N 117 125.712 125.712 126.339 -0.627 19727 4064 1 7 . 1 1 117 117 TYR HA H 117 4.950 4.950 5.686 -0.736 19727 4065 1 7 . 1 1 117 117 TYR CA C 117 56.430 56.430 55.869 0.561 19727 4066 1 7 . 1 1 117 117 TYR CB C 117 42.110 42.110 41.511 0.599 19727 4067 1 7 . 1 1 117 117 TYR H H 117 9.440 9.440 9.769 -0.329 19727 4068 1 7 . 1 1 118 118 VAL N N 118 120.314 120.314 119.947 0.367 19727 4069 1 7 . 1 1 118 118 VAL HA H 118 5.350 5.350 5.014 0.336 19727 4070 1 7 . 1 1 118 118 VAL CA C 118 62.170 62.170 61.033 1.137 19727 4071 1 7 . 1 1 118 118 VAL CB C 118 34.810 34.810 35.408 -0.598 19727 4072 1 7 . 1 1 118 118 VAL H H 118 9.026 9.026 9.555 -0.529 19727 4073 1 7 . 1 1 119 119 TYR N N 119 127.564 127.564 128.320 -0.756 19727 4074 1 7 . 1 1 119 119 TYR HA H 119 4.940 4.940 5.318 -0.378 19727 4075 1 7 . 1 1 119 119 TYR CA C 119 58.170 58.170 56.694 1.476 19727 4076 1 7 . 1 1 119 119 TYR CB C 119 43.490 43.490 40.945 2.545 19727 4077 1 7 . 1 1 119 119 TYR H H 119 9.041 9.041 9.264 -0.223 19727 4078 1 7 . 1 1 120 120 GLU N N 120 125.533 125.533 128.480 -2.947 19727 4079 1 7 . 1 1 120 120 GLU HA H 120 3.430 3.430 3.703 -0.273 19727 4080 1 7 . 1 1 120 120 GLU CA C 120 56.140 56.140 57.373 -1.233 19727 4081 1 7 . 1 1 120 120 GLU CB C 120 28.400 28.400 26.919 1.481 19727 4082 1 7 . 1 1 120 120 GLU H H 120 9.509 9.509 8.376 1.133 19727 4083 1 7 . 1 1 121 121 GLY N N 121 102.076 102.076 107.591 -5.515 19727 4084 1 7 . 1 1 121 121 GLY CA C 121 45.480 45.480 45.334 0.146 19727 4085 1 7 . 1 1 121 121 GLY H H 121 8.374 8.374 8.456 -0.082 19727 4086 1 7 . 1 1 122 122 VAL N N 122 123.797 123.797 120.612 3.185 19727 4087 1 7 . 1 1 122 122 VAL HA H 122 4.190 4.190 4.256 -0.066 19727 4088 1 7 . 1 1 122 122 VAL CA C 122 62.660 62.660 60.989 1.671 19727 4089 1 7 . 1 1 122 122 VAL CB C 122 32.980 32.980 33.209 -0.229 19727 4090 1 7 . 1 1 122 122 VAL H H 122 8.371 8.371 7.687 0.684 19727 4091 1 7 . 1 1 123 123 GLU N N 123 126.257 126.257 126.897 -0.640 19727 4092 1 7 . 1 1 123 123 GLU HA H 123 5.670 5.670 5.426 0.244 19727 4093 1 7 . 1 1 123 123 GLU CA C 123 54.010 54.010 56.033 -2.023 19727 4094 1 7 . 1 1 123 123 GLU CB C 123 32.850 32.850 33.114 -0.264 19727 4095 1 7 . 1 1 123 123 GLU H H 123 8.511 8.511 8.960 -0.449 19727 4096 1 7 . 1 1 124 124 ALA N N 124 126.354 126.354 128.856 -2.502 19727 4097 1 7 . 1 1 124 124 ALA HA H 124 5.150 5.150 4.844 0.306 19727 4098 1 7 . 1 1 124 124 ALA CA C 124 50.860 50.860 50.477 0.383 19727 4099 1 7 . 1 1 124 124 ALA CB C 124 24.060 24.060 22.141 1.919 19727 4100 1 7 . 1 1 124 124 ALA H H 124 9.258 9.258 9.214 0.044 19727 4101 1 7 . 1 1 125 125 LYS N N 125 115.989 115.989 121.904 -5.915 19727 4102 1 7 . 1 1 125 125 LYS HA H 125 5.760 5.760 5.561 0.199 19727 4103 1 7 . 1 1 125 125 LYS CA C 125 55.130 55.130 54.605 0.525 19727 4104 1 7 . 1 1 125 125 LYS CB C 125 38.130 38.130 36.564 1.566 19727 4105 1 7 . 1 1 125 125 LYS H H 125 8.847 8.847 8.816 0.031 19727 4106 1 7 . 1 1 126 126 ARG N N 126 120.557 120.557 120.647 -0.090 19727 4107 1 7 . 1 1 126 126 ARG HA H 126 4.750 4.750 4.652 0.098 19727 4108 1 7 . 1 1 126 126 ARG CA C 126 56.940 56.940 56.102 0.838 19727 4109 1 7 . 1 1 126 126 ARG CB C 126 34.040 34.040 33.782 0.258 19727 4110 1 7 . 1 1 126 126 ARG H H 126 9.241 9.241 9.048 0.193 19727 4111 1 7 . 1 1 127 127 ILE N N 127 122.970 122.970 126.289 -3.319 19727 4112 1 7 . 1 1 127 127 ILE HA H 127 5.020 5.020 5.072 -0.052 19727 4113 1 7 . 1 1 127 127 ILE CA C 127 61.670 61.670 58.901 2.769 19727 4114 1 7 . 1 1 127 127 ILE CB C 127 40.200 40.200 38.078 2.122 19727 4115 1 7 . 1 1 127 127 ILE H H 127 8.785 8.785 8.220 0.565 19727 4116 1 7 . 1 1 128 128 PHE N N 128 126.381 126.381 127.554 -1.173 19727 4117 1 7 . 1 1 128 128 PHE HA H 128 5.260 5.260 4.810 0.450 19727 4118 1 7 . 1 1 128 128 PHE CA C 128 56.050 56.050 56.322 -0.272 19727 4119 1 7 . 1 1 128 128 PHE CB C 128 42.730 42.730 43.004 -0.274 19727 4120 1 7 . 1 1 128 128 PHE H H 128 10.070 10.070 8.853 1.217 19727 4121 1 7 . 1 1 129 129 LYS N N 129 118.294 118.294 121.809 -3.515 19727 4122 1 7 . 1 1 129 129 LYS HA H 129 5.310 5.310 4.114 1.196 19727 4123 1 7 . 1 1 129 129 LYS CA C 129 54.740 54.740 53.533 1.207 19727 4124 1 7 . 1 1 129 129 LYS CB C 129 37.070 37.070 37.183 -0.113 19727 4125 1 7 . 1 1 129 129 LYS H H 129 8.866 8.866 7.199 1.667 19727 4126 1 7 . 1 1 130 130 LYS N N 130 123.147 123.147 119.208 3.939 19727 4127 1 7 . 1 1 130 130 LYS HA H 130 4.090 4.090 4.296 -0.206 19727 4128 1 7 . 1 1 130 130 LYS CA C 130 57.790 57.790 54.633 3.157 19727 4129 1 7 . 1 1 130 130 LYS CB C 130 33.020 33.020 34.224 -1.204 19727 4130 1 7 . 1 1 130 130 LYS H H 130 9.057 9.057 8.172 0.885 19727 4131 1 8 . 1 1 2 2 PHE N N 2 113.067 113.067 120.183 -7.116 19727 4132 1 8 . 1 1 2 2 PHE HA H 2 4.440 4.440 4.791 -0.351 19727 4133 1 8 . 1 1 2 2 PHE CA C 2 59.610 59.610 58.434 1.175 19727 4134 1 8 . 1 1 2 2 PHE CB C 2 39.760 39.760 39.524 0.236 19727 4135 1 8 . 1 1 2 2 PHE H H 2 8.270 8.270 8.544 -0.274 19727 4136 1 8 . 1 1 3 3 ASP N N 3 118.589 118.589 120.365 -1.776 19727 4137 1 8 . 1 1 3 3 ASP HA H 3 4.890 4.890 4.592 0.298 19727 4138 1 8 . 1 1 3 3 ASP CA C 3 55.030 55.030 55.919 -0.889 19727 4139 1 8 . 1 1 3 3 ASP CB C 3 39.460 39.460 40.097 -0.637 19727 4140 1 8 . 1 1 3 3 ASP H H 3 7.554 7.554 8.511 -0.957 19727 4141 1 8 . 1 1 4 4 SER N N 4 120.654 120.654 118.028 2.626 19727 4142 1 8 . 1 1 4 4 SER HA H 4 4.250 4.250 4.676 -0.426 19727 4143 1 8 . 1 1 4 4 SER CA C 4 59.530 59.530 58.138 1.392 19727 4144 1 8 . 1 1 4 4 SER CB C 4 65.300 65.300 65.415 -0.115 19727 4145 1 8 . 1 1 4 4 SER H H 4 8.250 8.250 8.544 -0.294 19727 4146 1 8 . 1 1 5 5 THR N N 5 115.812 115.812 119.021 -3.209 19727 4147 1 8 . 1 1 5 5 THR HA H 5 5.160 5.160 4.662 0.498 19727 4148 1 8 . 1 1 5 5 THR CA C 5 63.480 63.480 64.096 -0.616 19727 4149 1 8 . 1 1 5 5 THR CB C 5 69.630 69.630 69.438 0.192 19727 4150 1 8 . 1 1 5 5 THR H H 5 8.041 8.041 8.570 -0.529 19727 4151 1 8 . 1 1 6 6 TRP N N 6 128.256 128.256 127.976 0.280 19727 4152 1 8 . 1 1 6 6 TRP HA H 6 5.240 5.240 5.365 -0.125 19727 4153 1 8 . 1 1 6 6 TRP CA C 6 55.770 55.770 55.266 0.504 19727 4154 1 8 . 1 1 6 6 TRP CB C 6 32.800 32.800 31.022 1.778 19727 4155 1 8 . 1 1 6 6 TRP H H 6 9.514 9.514 9.301 0.213 19727 4156 1 8 . 1 1 7 7 LYS N N 7 122.895 122.895 123.003 -0.108 19727 4157 1 8 . 1 1 7 7 LYS HA H 7 5.490 5.490 4.996 0.494 19727 4158 1 8 . 1 1 7 7 LYS CA C 7 54.680 54.680 54.824 -0.144 19727 4159 1 8 . 1 1 7 7 LYS CB C 7 35.840 35.840 35.172 0.668 19727 4160 1 8 . 1 1 7 7 LYS H H 7 9.954 9.954 8.696 1.258 19727 4161 1 8 . 1 1 8 8 VAL N N 8 128.078 128.078 125.855 2.223 19727 4162 1 8 . 1 1 8 8 VAL HA H 8 3.280 3.280 4.131 -0.851 19727 4163 1 8 . 1 1 8 8 VAL CA C 8 64.810 64.810 63.989 0.821 19727 4164 1 8 . 1 1 8 8 VAL CB C 8 31.790 31.790 33.121 -1.331 19727 4165 1 8 . 1 1 8 8 VAL H H 8 8.780 8.780 8.196 0.584 19727 4166 1 8 . 1 1 9 9 ASP N N 9 127.565 127.565 128.026 -0.461 19727 4167 1 8 . 1 1 9 9 ASP HA H 9 4.930 4.930 4.701 0.229 19727 4168 1 8 . 1 1 9 9 ASP CA C 9 55.750 55.750 55.559 0.191 19727 4169 1 8 . 1 1 9 9 ASP CB C 9 46.830 46.830 42.918 3.912 19727 4170 1 8 . 1 1 9 9 ASP H H 9 9.712 9.712 8.243 1.469 19727 4171 1 8 . 1 1 10 10 ARG N N 10 112.578 112.578 116.959 -4.381 19727 4172 1 8 . 1 1 10 10 ARG HA H 10 4.740 4.740 4.490 0.250 19727 4173 1 8 . 1 1 10 10 ARG CA C 10 55.200 55.200 55.063 0.137 19727 4174 1 8 . 1 1 10 10 ARG CB C 10 31.470 31.470 32.617 -1.147 19727 4175 1 8 . 1 1 10 10 ARG H H 10 7.823 7.823 7.637 0.186 19727 4176 1 8 . 1 1 11 11 SER N N 11 113.123 113.123 114.656 -1.533 19727 4177 1 8 . 1 1 11 11 SER HA H 11 5.270 5.270 5.017 0.253 19727 4178 1 8 . 1 1 11 11 SER CA C 11 57.490 57.490 57.319 0.171 19727 4179 1 8 . 1 1 11 11 SER CB C 11 66.620 66.620 67.022 -0.402 19727 4180 1 8 . 1 1 11 11 SER H H 11 8.602 8.602 8.185 0.417 19727 4181 1 8 . 1 1 12 12 GLU N N 12 121.867 121.867 120.996 0.871 19727 4182 1 8 . 1 1 12 12 GLU HA H 12 4.760 4.760 4.556 0.204 19727 4183 1 8 . 1 1 12 12 GLU CA C 12 55.420 55.420 56.099 -0.679 19727 4184 1 8 . 1 1 12 12 GLU CB C 12 33.060 33.060 32.569 0.491 19727 4185 1 8 . 1 1 12 12 GLU H H 12 9.447 9.447 9.003 0.444 19727 4186 1 8 . 1 1 13 13 ASN N N 13 121.822 121.822 121.732 0.090 19727 4187 1 8 . 1 1 13 13 ASN HA H 13 4.720 4.720 4.454 0.266 19727 4188 1 8 . 1 1 13 13 ASN CA C 13 54.200 54.200 54.841 -0.641 19727 4189 1 8 . 1 1 13 13 ASN CB C 13 39.870 39.870 37.676 2.193 19727 4190 1 8 . 1 1 13 13 ASN H H 13 9.350 9.350 9.068 0.282 19727 4191 1 8 . 1 1 14 14 TYR N N 14 120.082 120.082 119.325 0.757 19727 4192 1 8 . 1 1 14 14 TYR HA H 14 4.290 4.290 3.929 0.361 19727 4193 1 8 . 1 1 14 14 TYR CA C 14 60.700 60.700 61.365 -0.666 19727 4194 1 8 . 1 1 14 14 TYR CB C 14 39.620 39.620 38.116 1.504 19727 4195 1 8 . 1 1 14 14 TYR H H 14 8.357 8.357 8.325 0.032 19727 4196 1 8 . 1 1 15 15 ASP N N 15 118.245 118.245 118.415 -0.170 19727 4197 1 8 . 1 1 15 15 ASP HA H 15 4.060 4.060 4.355 -0.295 19727 4198 1 8 . 1 1 15 15 ASP CA C 15 58.620 58.620 57.224 1.395 19727 4199 1 8 . 1 1 15 15 ASP CB C 15 41.140 41.140 40.380 0.760 19727 4200 1 8 . 1 1 15 15 ASP H H 15 8.562 8.562 8.789 -0.227 19727 4201 1 8 . 1 1 16 16 LYS N N 16 118.806 118.806 119.040 -0.234 19727 4202 1 8 . 1 1 16 16 LYS HA H 16 4.050 4.050 4.092 -0.042 19727 4203 1 8 . 1 1 16 16 LYS CA C 16 58.610 58.610 59.545 -0.935 19727 4204 1 8 . 1 1 16 16 LYS CB C 16 31.550 31.550 32.256 -0.706 19727 4205 1 8 . 1 1 16 16 LYS H H 16 7.801 7.801 7.574 0.227 19727 4206 1 8 . 1 1 17 17 PHE N N 17 120.733 120.733 115.821 4.912 19727 4207 1 8 . 1 1 17 17 PHE HA H 17 4.020 4.020 4.429 -0.409 19727 4208 1 8 . 1 1 17 17 PHE CA C 17 61.620 61.620 59.746 1.874 19727 4209 1 8 . 1 1 17 17 PHE CB C 17 40.250 40.250 38.529 1.721 19727 4210 1 8 . 1 1 17 17 PHE H H 17 7.543 7.543 8.068 -0.525 19727 4211 1 8 . 1 1 18 18 MET N N 18 117.590 117.590 117.786 -0.196 19727 4212 1 8 . 1 1 18 18 MET HA H 18 3.210 3.210 4.285 -1.075 19727 4213 1 8 . 1 1 18 18 MET CA C 18 59.860 59.860 56.666 3.194 19727 4214 1 8 . 1 1 18 18 MET CB C 18 34.110 34.110 31.206 2.904 19727 4215 1 8 . 1 1 18 18 MET H H 18 8.063 8.063 8.181 -0.118 19727 4216 1 8 . 1 1 19 19 GLU N N 19 120.480 120.480 120.353 0.127 19727 4217 1 8 . 1 1 19 19 GLU HA H 19 3.830 3.830 4.219 -0.389 19727 4218 1 8 . 1 1 19 19 GLU CA C 19 60.040 60.040 58.187 1.853 19727 4219 1 8 . 1 1 19 19 GLU CB C 19 29.790 29.790 29.165 0.625 19727 4220 1 8 . 1 1 19 19 GLU H H 19 8.430 8.430 8.412 0.018 19727 4221 1 8 . 1 1 20 20 LYS N N 20 122.631 122.631 119.939 2.692 19727 4222 1 8 . 1 1 20 20 LYS HA H 20 4.070 4.070 4.112 -0.042 19727 4223 1 8 . 1 1 20 20 LYS CA C 20 57.400 57.400 58.853 -1.453 19727 4224 1 8 . 1 1 20 20 LYS CB C 20 31.940 31.940 32.545 -0.605 19727 4225 1 8 . 1 1 20 20 LYS H H 20 8.080 8.080 7.709 0.371 19727 4226 1 8 . 1 1 21 21 MET N N 21 114.794 114.794 115.012 -0.218 19727 4227 1 8 . 1 1 21 21 MET HA H 21 3.810 3.810 4.305 -0.495 19727 4228 1 8 . 1 1 21 21 MET CA C 21 56.310 56.310 56.638 -0.328 19727 4229 1 8 . 1 1 21 21 MET CB C 21 32.729 32.729 33.521 -0.792 19727 4230 1 8 . 1 1 21 21 MET H H 21 7.554 7.554 7.470 0.084 19727 4231 1 8 . 1 1 22 22 GLY N N 22 107.423 107.423 106.483 0.940 19727 4232 1 8 . 1 1 22 22 GLY CA C 22 45.310 45.310 44.700 0.610 19727 4233 1 8 . 1 1 22 22 GLY H H 22 7.718 7.718 8.102 -0.384 19727 4234 1 8 . 1 1 23 23 VAL N N 23 121.380 121.380 120.034 1.346 19727 4235 1 8 . 1 1 23 23 VAL HA H 23 3.770 3.770 3.874 -0.104 19727 4236 1 8 . 1 1 23 23 VAL CA C 23 62.650 62.650 61.699 0.951 19727 4237 1 8 . 1 1 23 23 VAL CB C 23 32.060 32.060 31.975 0.085 19727 4238 1 8 . 1 1 23 23 VAL H H 23 7.491 7.491 7.692 -0.201 19727 4239 1 8 . 1 1 24 24 ASN N N 24 127.861 127.861 125.484 2.377 19727 4240 1 8 . 1 1 24 24 ASN HA H 24 4.430 4.430 4.456 -0.026 19727 4241 1 8 . 1 1 24 24 ASN CA C 24 54.090 54.090 53.428 0.662 19727 4242 1 8 . 1 1 24 24 ASN CB C 24 39.330 39.330 38.918 0.412 19727 4243 1 8 . 1 1 24 24 ASN H H 24 8.780 8.780 7.911 0.869 19727 4244 1 8 . 1 1 25 25 ILE N N 25 121.002 121.002 124.232 -3.230 19727 4245 1 8 . 1 1 25 25 ILE HA H 25 3.660 3.660 3.641 0.019 19727 4246 1 8 . 1 1 25 25 ILE CA C 25 65.350 65.350 63.904 1.446 19727 4247 1 8 . 1 1 25 25 ILE CB C 25 38.910 38.910 37.328 1.582 19727 4248 1 8 . 1 1 25 25 ILE H H 25 8.494 8.494 8.720 -0.226 19727 4249 1 8 . 1 1 26 26 VAL N N 26 121.014 121.014 118.849 2.165 19727 4250 1 8 . 1 1 26 26 VAL HA H 26 3.680 3.680 3.377 0.303 19727 4251 1 8 . 1 1 26 26 VAL CA C 26 66.080 66.080 66.345 -0.265 19727 4252 1 8 . 1 1 26 26 VAL CB C 26 31.930 31.930 30.740 1.190 19727 4253 1 8 . 1 1 26 26 VAL H H 26 7.569 7.569 7.972 -0.403 19727 4254 1 8 . 1 1 27 27 LYS N N 27 118.674 118.674 118.088 0.586 19727 4255 1 8 . 1 1 27 27 LYS HA H 27 4.140 4.140 3.985 0.155 19727 4256 1 8 . 1 1 27 27 LYS CA C 27 58.240 58.240 58.766 -0.526 19727 4257 1 8 . 1 1 27 27 LYS CB C 27 32.610 32.610 32.038 0.572 19727 4258 1 8 . 1 1 27 27 LYS H H 27 7.729 7.729 7.467 0.262 19727 4259 1 8 . 1 1 28 28 ARG N N 28 119.667 119.667 120.604 -0.937 19727 4260 1 8 . 1 1 28 28 ARG HA H 28 3.740 3.740 3.908 -0.168 19727 4261 1 8 . 1 1 28 28 ARG CA C 28 60.040 60.040 58.233 1.807 19727 4262 1 8 . 1 1 28 28 ARG CB C 28 30.760 30.760 28.910 1.849 19727 4263 1 8 . 1 1 28 28 ARG H H 28 8.418 8.418 8.209 0.209 19727 4264 1 8 . 1 1 29 29 LYS N N 29 118.502 118.502 118.756 -0.254 19727 4265 1 8 . 1 1 29 29 LYS HA H 29 4.040 4.040 3.811 0.229 19727 4266 1 8 . 1 1 29 29 LYS CA C 29 59.460 59.460 59.648 -0.188 19727 4267 1 8 . 1 1 29 29 LYS CB C 29 32.440 32.440 31.942 0.498 19727 4268 1 8 . 1 1 29 29 LYS H H 29 7.611 7.611 8.087 -0.476 19727 4269 1 8 . 1 1 30 30 LEU N N 30 119.200 119.200 117.395 1.805 19727 4270 1 8 . 1 1 30 30 LEU HA H 30 4.170 4.170 4.115 0.055 19727 4271 1 8 . 1 1 30 30 LEU CA C 30 57.560 57.560 56.620 0.940 19727 4272 1 8 . 1 1 30 30 LEU CB C 30 42.320 42.320 41.959 0.361 19727 4273 1 8 . 1 1 30 30 LEU H H 30 7.292 7.292 7.344 -0.052 19727 4274 1 8 . 1 1 31 31 ALA N N 31 120.380 120.380 119.933 0.447 19727 4275 1 8 . 1 1 31 31 ALA HA H 31 4.080 4.080 4.108 -0.028 19727 4276 1 8 . 1 1 31 31 ALA CA C 31 54.370 54.370 52.905 1.465 19727 4277 1 8 . 1 1 31 31 ALA CB C 31 19.300 19.300 18.155 1.145 19727 4278 1 8 . 1 1 31 31 ALA H H 31 8.257 8.257 7.328 0.929 19727 4279 1 8 . 1 1 32 32 ALA N N 32 117.152 117.152 120.547 -3.395 19727 4280 1 8 . 1 1 32 32 ALA HA H 32 4.130 4.130 3.220 0.910 19727 4281 1 8 . 1 1 32 32 ALA CA C 32 54.060 54.060 54.387 -0.327 19727 4282 1 8 . 1 1 32 32 ALA CB C 32 18.710 18.710 18.437 0.273 19727 4283 1 8 . 1 1 32 32 ALA H H 32 7.320 7.320 7.850 -0.530 19727 4284 1 8 . 1 1 33 33 HIS N N 33 115.869 115.869 109.172 6.697 19727 4285 1 8 . 1 1 33 33 HIS HA H 33 5.000 5.000 4.496 0.504 19727 4286 1 8 . 1 1 33 33 HIS CA C 33 54.200 54.200 56.189 -1.989 19727 4287 1 8 . 1 1 33 33 HIS CB C 33 28.310 28.310 28.927 -0.617 19727 4288 1 8 . 1 1 33 33 HIS H H 33 7.675 7.675 7.673 0.002 19727 4289 1 8 . 1 1 34 34 ASP N N 34 117.892 117.892 123.315 -5.423 19727 4290 1 8 . 1 1 34 34 ASP HA H 34 4.200 4.200 4.550 -0.350 19727 4291 1 8 . 1 1 34 34 ASP CA C 34 54.450 54.450 56.880 -2.430 19727 4292 1 8 . 1 1 34 34 ASP CB C 34 40.740 40.740 41.005 -0.265 19727 4293 1 8 . 1 1 34 34 ASP H H 34 7.430 7.430 8.510 -1.080 19727 4294 1 8 . 1 1 35 35 ASN N N 35 118.996 118.996 117.826 1.170 19727 4295 1 8 . 1 1 35 35 ASN HA H 35 4.310 4.310 4.974 -0.664 19727 4296 1 8 . 1 1 35 35 ASN CA C 35 53.650 53.650 52.376 1.274 19727 4297 1 8 . 1 1 35 35 ASN CB C 35 37.760 37.760 39.043 -1.283 19727 4298 1 8 . 1 1 35 35 ASN H H 35 9.086 9.086 8.400 0.686 19727 4299 1 8 . 1 1 36 36 LEU N N 36 118.708 118.708 122.237 -3.529 19727 4300 1 8 . 1 1 36 36 LEU CA C 36 57.330 57.330 54.197 3.133 19727 4301 1 8 . 1 1 36 36 LEU CB C 36 42.810 42.810 43.290 -0.480 19727 4302 1 8 . 1 1 36 36 LEU H H 36 6.914 6.914 7.245 -0.331 19727 4303 1 8 . 1 1 37 37 LYS N N 37 126.148 126.148 127.829 -1.681 19727 4304 1 8 . 1 1 37 37 LYS HA H 37 5.650 5.650 4.934 0.716 19727 4305 1 8 . 1 1 37 37 LYS CA C 37 55.170 55.170 54.312 0.858 19727 4306 1 8 . 1 1 37 37 LYS CB C 37 36.200 36.200 34.824 1.376 19727 4307 1 8 . 1 1 37 37 LYS H H 37 9.246 9.246 8.144 1.102 19727 4308 1 8 . 1 1 38 38 LEU N N 38 122.300 122.300 128.810 -6.510 19727 4309 1 8 . 1 1 38 38 LEU HA H 38 5.550 5.550 4.797 0.753 19727 4310 1 8 . 1 1 38 38 LEU CA C 38 52.870 52.870 53.562 -0.692 19727 4311 1 8 . 1 1 38 38 LEU CB C 38 46.720 46.720 45.067 1.653 19727 4312 1 8 . 1 1 38 38 LEU H H 38 9.324 9.324 9.226 0.098 19727 4313 1 8 . 1 1 39 39 THR N N 39 120.586 120.586 122.001 -1.415 19727 4314 1 8 . 1 1 39 39 THR HA H 39 5.280 5.280 4.881 0.399 19727 4315 1 8 . 1 1 39 39 THR CA C 39 62.950 62.950 61.378 1.572 19727 4316 1 8 . 1 1 39 39 THR CB C 39 70.590 70.590 70.949 -0.359 19727 4317 1 8 . 1 1 39 39 THR H H 39 9.191 9.191 8.104 1.087 19727 4318 1 8 . 1 1 40 40 ILE N N 40 128.371 128.371 121.404 6.967 19727 4319 1 8 . 1 1 40 40 ILE HA H 40 4.860 4.860 5.023 -0.163 19727 4320 1 8 . 1 1 40 40 ILE CA C 40 61.570 61.570 58.663 2.907 19727 4321 1 8 . 1 1 40 40 ILE CB C 40 40.060 40.060 40.758 -0.698 19727 4322 1 8 . 1 1 40 40 ILE H H 40 8.531 8.531 9.119 -0.588 19727 4323 1 8 . 1 1 41 41 THR N N 41 120.285 120.285 118.191 2.094 19727 4324 1 8 . 1 1 41 41 THR HA H 41 4.510 4.510 4.599 -0.089 19727 4325 1 8 . 1 1 41 41 THR CA C 41 60.930 60.930 60.199 0.731 19727 4326 1 8 . 1 1 41 41 THR CB C 41 71.450 71.450 71.362 0.088 19727 4327 1 8 . 1 1 41 41 THR H H 41 8.624 8.624 8.266 0.358 19727 4328 1 8 . 1 1 42 42 GLN N N 42 126.369 126.369 123.454 2.915 19727 4329 1 8 . 1 1 42 42 GLN CA C 42 54.400 54.400 56.824 -2.424 19727 4330 1 8 . 1 1 42 42 GLN CB C 42 30.560 30.560 29.948 0.612 19727 4331 1 8 . 1 1 42 42 GLN H H 42 9.050 9.050 8.648 0.402 19727 4332 1 8 . 1 1 43 43 GLU N N 43 128.036 128.036 125.037 2.999 19727 4333 1 8 . 1 1 43 43 GLU HA H 43 4.400 4.400 4.492 -0.092 19727 4334 1 8 . 1 1 43 43 GLU CA C 43 55.020 55.020 56.062 -1.042 19727 4335 1 8 . 1 1 43 43 GLU CB C 43 31.630 31.630 31.452 0.178 19727 4336 1 8 . 1 1 43 43 GLU H H 43 8.807 8.807 8.454 0.353 19727 4337 1 8 . 1 1 44 44 GLY N N 44 117.000 117.000 113.527 3.473 19727 4338 1 8 . 1 1 44 44 GLY CA C 44 47.460 47.460 45.983 1.477 19727 4339 1 8 . 1 1 44 44 GLY H H 44 9.060 9.060 8.227 0.833 19727 4340 1 8 . 1 1 45 45 ASN N N 45 124.910 124.910 118.743 6.167 19727 4341 1 8 . 1 1 45 45 ASN HA H 45 4.830 4.830 4.429 0.401 19727 4342 1 8 . 1 1 45 45 ASN CA C 45 53.040 53.040 53.581 -0.541 19727 4343 1 8 . 1 1 45 45 ASN CB C 45 39.050 39.050 38.226 0.824 19727 4344 1 8 . 1 1 45 45 ASN H H 45 8.769 8.769 8.374 0.395 19727 4345 1 8 . 1 1 46 46 LYS N N 46 120.293 120.293 119.618 0.675 19727 4346 1 8 . 1 1 46 46 LYS HA H 46 4.890 4.890 4.554 0.336 19727 4347 1 8 . 1 1 46 46 LYS CA C 46 55.760 55.760 54.999 0.761 19727 4348 1 8 . 1 1 46 46 LYS CB C 46 34.610 34.610 34.580 0.030 19727 4349 1 8 . 1 1 46 46 LYS H H 46 7.873 7.873 7.535 0.338 19727 4350 1 8 . 1 1 47 47 PHE N N 47 127.531 127.531 120.689 6.842 19727 4351 1 8 . 1 1 47 47 PHE HA H 47 4.700 4.700 5.191 -0.491 19727 4352 1 8 . 1 1 47 47 PHE CA C 47 56.450 56.450 55.335 1.115 19727 4353 1 8 . 1 1 47 47 PHE CB C 47 43.050 43.050 42.377 0.673 19727 4354 1 8 . 1 1 47 47 PHE H H 47 9.130 9.130 8.998 0.132 19727 4355 1 8 . 1 1 48 48 THR N N 48 115.162 115.162 118.083 -2.921 19727 4356 1 8 . 1 1 48 48 THR HA H 48 4.770 4.770 4.595 0.175 19727 4357 1 8 . 1 1 48 48 THR CA C 48 62.090 62.090 61.741 0.349 19727 4358 1 8 . 1 1 48 48 THR CB C 48 70.280 70.280 69.496 0.784 19727 4359 1 8 . 1 1 48 48 THR H H 48 8.318 8.318 8.585 -0.267 19727 4360 1 8 . 1 1 49 49 VAL N N 49 127.272 127.272 120.431 6.841 19727 4361 1 8 . 1 1 49 49 VAL HA H 49 4.840 4.840 5.025 -0.185 19727 4362 1 8 . 1 1 49 49 VAL CA C 49 61.110 61.110 59.221 1.889 19727 4363 1 8 . 1 1 49 49 VAL CB C 49 34.330 34.330 33.410 0.920 19727 4364 1 8 . 1 1 49 49 VAL H H 49 9.580 9.580 8.414 1.166 19727 4365 1 8 . 1 1 50 50 LYS N N 50 127.439 127.439 126.732 0.707 19727 4366 1 8 . 1 1 50 50 LYS HA H 50 4.993 4.993 4.527 0.466 19727 4367 1 8 . 1 1 50 50 LYS CA C 50 55.500 55.500 54.796 0.704 19727 4368 1 8 . 1 1 50 50 LYS CB C 50 33.320 33.320 34.416 -1.096 19727 4369 1 8 . 1 1 50 50 LYS H H 50 9.175 9.175 8.829 0.346 19727 4370 1 8 . 1 1 51 51 GLU N N 51 128.140 128.140 128.628 -0.488 19727 4371 1 8 . 1 1 51 51 GLU HA H 51 5.090 5.090 5.139 -0.049 19727 4372 1 8 . 1 1 51 51 GLU CA C 51 55.160 55.160 55.255 -0.095 19727 4373 1 8 . 1 1 51 51 GLU CB C 51 31.450 31.450 31.116 0.334 19727 4374 1 8 . 1 1 51 51 GLU H H 51 9.173 9.173 8.244 0.929 19727 4375 1 8 . 1 1 52 52 SER N N 52 120.997 120.997 123.018 -2.021 19727 4376 1 8 . 1 1 52 52 SER CA C 52 56.630 56.630 58.207 -1.577 19727 4377 1 8 . 1 1 52 52 SER CB C 52 65.290 65.290 64.845 0.445 19727 4378 1 8 . 1 1 52 52 SER H H 52 9.015 9.015 8.504 0.511 19727 4379 1 8 . 1 1 53 53 SER N N 53 117.567 117.567 119.009 -1.442 19727 4380 1 8 . 1 1 53 53 SER CA C 53 56.780 56.780 56.681 0.098 19727 4381 1 8 . 1 1 53 53 SER CB C 53 68.320 68.320 66.475 1.845 19727 4382 1 8 . 1 1 53 53 SER H H 53 9.013 9.013 8.007 1.006 19727 4383 1 8 . 1 1 54 54 ALA N N 54 119.830 119.830 123.433 -3.603 19727 4384 1 8 . 1 1 54 54 ALA HA H 54 4.030 4.030 4.574 -0.544 19727 4385 1 8 . 1 1 54 54 ALA CA C 54 54.030 54.030 53.522 0.508 19727 4386 1 8 . 1 1 54 54 ALA CB C 54 18.380 18.380 18.864 -0.484 19727 4387 1 8 . 1 1 54 54 ALA H H 54 9.009 9.009 8.917 0.092 19727 4388 1 8 . 1 1 55 55 PHE N N 55 112.640 112.640 117.746 -5.106 19727 4389 1 8 . 1 1 55 55 PHE H H 55 8.050 8.050 7.722 0.328 19727 4390 1 8 . 1 1 57 57 ASN N N 57 119.170 119.170 117.916 1.254 19727 4391 1 8 . 1 1 57 57 ASN HA H 57 5.840 5.840 4.857 0.983 19727 4392 1 8 . 1 1 57 57 ASN CA C 57 53.190 53.190 53.217 -0.027 19727 4393 1 8 . 1 1 57 57 ASN CB C 57 40.990 40.990 39.749 1.241 19727 4394 1 8 . 1 1 57 57 ASN H H 57 8.487 8.487 8.451 0.036 19727 4395 1 8 . 1 1 58 58 ILE N N 58 117.653 117.653 121.043 -3.390 19727 4396 1 8 . 1 1 58 58 ILE HA H 58 4.860 4.860 4.455 0.405 19727 4397 1 8 . 1 1 58 58 ILE CA C 58 60.150 60.150 60.621 -0.471 19727 4398 1 8 . 1 1 58 58 ILE CB C 58 43.590 43.590 42.485 1.105 19727 4399 1 8 . 1 1 58 58 ILE H H 58 8.803 8.803 8.165 0.638 19727 4400 1 8 . 1 1 59 59 GLU N N 59 123.376 123.376 123.746 -0.370 19727 4401 1 8 . 1 1 59 59 GLU HA H 59 5.260 5.260 4.738 0.522 19727 4402 1 8 . 1 1 59 59 GLU CA C 59 60.170 60.170 55.591 4.579 19727 4403 1 8 . 1 1 59 59 GLU CB C 59 32.900 32.900 32.068 0.832 19727 4404 1 8 . 1 1 59 59 GLU H H 59 8.519 8.519 8.234 0.285 19727 4405 1 8 . 1 1 60 60 VAL N N 60 127.157 127.157 117.283 9.874 19727 4406 1 8 . 1 1 60 60 VAL HA H 60 4.460 4.460 4.334 0.126 19727 4407 1 8 . 1 1 60 60 VAL CA C 60 61.730 61.730 61.081 0.649 19727 4408 1 8 . 1 1 60 60 VAL CB C 60 35.030 35.030 35.433 -0.403 19727 4409 1 8 . 1 1 60 60 VAL H H 60 9.227 9.227 8.874 0.353 19727 4410 1 8 . 1 1 61 61 VAL N N 61 125.109 125.109 122.271 2.838 19727 4411 1 8 . 1 1 61 61 VAL HA H 61 5.160 5.160 4.197 0.963 19727 4412 1 8 . 1 1 61 61 VAL CA C 61 60.350 60.350 62.200 -1.849 19727 4413 1 8 . 1 1 61 61 VAL CB C 61 34.600 34.600 32.498 2.102 19727 4414 1 8 . 1 1 61 61 VAL H H 61 8.179 8.179 8.183 -0.004 19727 4415 1 8 . 1 1 62 62 PHE N N 62 121.713 121.713 125.911 -4.198 19727 4416 1 8 . 1 1 62 62 PHE HA H 62 4.840 4.840 4.540 0.300 19727 4417 1 8 . 1 1 62 62 PHE CA C 62 55.320 55.320 55.782 -0.462 19727 4418 1 8 . 1 1 62 62 PHE CB C 62 41.060 41.060 43.058 -1.998 19727 4419 1 8 . 1 1 62 62 PHE H H 62 8.432 8.432 9.262 -0.830 19727 4420 1 8 . 1 1 63 63 GLU N N 63 119.775 119.775 123.179 -3.404 19727 4421 1 8 . 1 1 63 63 GLU HA H 63 5.330 5.330 4.642 0.688 19727 4422 1 8 . 1 1 63 63 GLU CA C 63 53.700 53.700 55.200 -1.500 19727 4423 1 8 . 1 1 63 63 GLU CB C 63 32.720 32.720 33.715 -0.995 19727 4424 1 8 . 1 1 63 63 GLU H H 63 9.386 9.386 8.673 0.713 19727 4425 1 8 . 1 1 64 64 LEU N N 64 124.568 124.568 125.856 -1.288 19727 4426 1 8 . 1 1 64 64 LEU HA H 64 4.530 4.530 4.635 -0.105 19727 4427 1 8 . 1 1 64 64 LEU CA C 64 56.770 56.770 55.297 1.473 19727 4428 1 8 . 1 1 64 64 LEU CB C 64 41.390 41.390 40.744 0.646 19727 4429 1 8 . 1 1 64 64 LEU H H 64 8.834 8.834 8.366 0.468 19727 4430 1 8 . 1 1 65 65 GLY N N 65 108.336 108.336 113.207 -4.871 19727 4431 1 8 . 1 1 65 65 GLY CA C 65 46.210 46.210 44.841 1.369 19727 4432 1 8 . 1 1 65 65 GLY H H 65 9.299 9.299 8.431 0.868 19727 4433 1 8 . 1 1 66 66 VAL N N 66 121.972 121.972 118.690 3.282 19727 4434 1 8 . 1 1 66 66 VAL HA H 66 4.380 4.380 4.503 -0.123 19727 4435 1 8 . 1 1 66 66 VAL CA C 66 62.660 62.660 59.511 3.149 19727 4436 1 8 . 1 1 66 66 VAL CB C 66 32.900 32.900 35.077 -2.177 19727 4437 1 8 . 1 1 66 66 VAL H H 66 7.905 7.905 7.703 0.202 19727 4438 1 8 . 1 1 67 67 THR N N 67 129.168 129.168 118.087 11.081 19727 4439 1 8 . 1 1 67 67 THR HA H 67 4.390 4.390 4.851 -0.461 19727 4440 1 8 . 1 1 67 67 THR CA C 67 64.580 64.580 62.522 2.058 19727 4441 1 8 . 1 1 67 67 THR CB C 67 69.140 69.140 69.526 -0.386 19727 4442 1 8 . 1 1 67 67 THR H H 67 8.784 8.784 8.208 0.576 19727 4443 1 8 . 1 1 68 68 PHE N N 68 126.387 126.387 124.190 2.197 19727 4444 1 8 . 1 1 68 68 PHE HA H 68 5.120 5.120 4.629 0.491 19727 4445 1 8 . 1 1 68 68 PHE CA C 68 56.240 56.240 56.560 -0.320 19727 4446 1 8 . 1 1 68 68 PHE CB C 68 41.980 41.980 40.977 1.003 19727 4447 1 8 . 1 1 68 68 PHE H H 68 9.687 9.687 8.798 0.889 19727 4448 1 8 . 1 1 69 69 ASN N N 69 116.298 116.298 121.302 -5.004 19727 4449 1 8 . 1 1 69 69 ASN HA H 69 5.340 5.340 4.763 0.577 19727 4450 1 8 . 1 1 69 69 ASN CA C 69 51.630 51.630 52.679 -1.049 19727 4451 1 8 . 1 1 69 69 ASN CB C 69 40.640 40.640 39.791 0.849 19727 4452 1 8 . 1 1 69 69 ASN H H 69 8.370 8.370 8.454 -0.084 19727 4453 1 8 . 1 1 70 70 TYR N N 70 120.913 120.913 121.874 -0.961 19727 4454 1 8 . 1 1 70 70 TYR H H 70 8.655 8.655 8.130 0.525 19727 4455 1 8 . 1 1 73 73 ALA HA H 73 3.760 3.760 3.999 -0.239 19727 4456 1 8 . 1 1 73 73 ALA CA C 73 53.600 53.600 54.819 -1.219 19727 4457 1 8 . 1 1 73 73 ALA CB C 73 17.960 17.960 18.668 -0.708 19727 4458 1 8 . 1 1 74 74 ASP N N 74 113.641 113.641 118.885 -5.244 19727 4459 1 8 . 1 1 74 74 ASP CA C 74 52.960 52.960 56.611 -3.651 19727 4460 1 8 . 1 1 74 74 ASP CB C 74 39.210 39.210 40.841 -1.631 19727 4461 1 8 . 1 1 74 74 ASP H H 74 8.575 8.575 8.184 0.391 19727 4462 1 8 . 1 1 75 75 GLY N N 75 107.874 107.874 104.080 3.794 19727 4463 1 8 . 1 1 75 75 GLY CA C 75 44.800 44.800 45.742 -0.942 19727 4464 1 8 . 1 1 75 75 GLY H H 75 7.745 7.745 8.170 -0.425 19727 4465 1 8 . 1 1 76 76 THR N N 76 119.192 119.192 113.843 5.349 19727 4466 1 8 . 1 1 76 76 THR CA C 76 64.980 64.980 60.746 4.234 19727 4467 1 8 . 1 1 76 76 THR CB C 76 68.240 68.240 70.544 -2.304 19727 4468 1 8 . 1 1 76 76 THR H H 76 7.724 7.724 7.649 0.075 19727 4469 1 8 . 1 1 77 77 GLU N N 77 128.678 128.678 123.084 5.594 19727 4470 1 8 . 1 1 77 77 GLU CA C 77 56.450 56.450 56.025 0.425 19727 4471 1 8 . 1 1 77 77 GLU CB C 77 31.500 31.500 29.892 1.607 19727 4472 1 8 . 1 1 77 77 GLU H H 77 8.468 8.468 8.651 -0.183 19727 4473 1 8 . 1 1 78 78 LEU N N 78 124.431 124.431 123.188 1.243 19727 4474 1 8 . 1 1 78 78 LEU HA H 78 5.130 5.130 4.881 0.249 19727 4475 1 8 . 1 1 78 78 LEU CA C 78 53.230 53.230 54.211 -0.980 19727 4476 1 8 . 1 1 78 78 LEU CB C 78 45.400 45.400 45.316 0.084 19727 4477 1 8 . 1 1 78 78 LEU H H 78 8.875 8.875 7.653 1.222 19727 4478 1 8 . 1 1 79 79 ARG HA H 79 5.390 5.390 5.133 0.257 19727 4479 1 8 . 1 1 79 79 ARG CA C 79 54.560 54.560 54.935 -0.375 19727 4480 1 8 . 1 1 79 79 ARG CB C 79 33.860 33.860 33.209 0.651 19727 4481 1 8 . 1 1 80 80 GLY N N 80 115.450 115.450 112.647 2.803 19727 4482 1 8 . 1 1 80 80 GLY CA C 80 46.730 46.730 44.743 1.987 19727 4483 1 8 . 1 1 80 80 GLY H H 80 9.026 9.026 8.034 0.992 19727 4484 1 8 . 1 1 81 81 THR N N 81 106.379 106.379 112.573 -6.194 19727 4485 1 8 . 1 1 81 81 THR HA H 81 4.680 4.680 5.144 -0.464 19727 4486 1 8 . 1 1 81 81 THR CA C 81 59.010 59.010 61.788 -2.778 19727 4487 1 8 . 1 1 81 81 THR CB C 81 73.140 73.140 71.708 1.432 19727 4488 1 8 . 1 1 81 81 THR H H 81 6.937 6.937 8.322 -1.385 19727 4489 1 8 . 1 1 82 82 TRP N N 82 120.025 120.025 127.011 -6.986 19727 4490 1 8 . 1 1 82 82 TRP HA H 82 5.350 5.350 5.089 0.261 19727 4491 1 8 . 1 1 82 82 TRP CA C 82 56.400 56.400 56.190 0.210 19727 4492 1 8 . 1 1 82 82 TRP CB C 82 33.630 33.630 31.535 2.095 19727 4493 1 8 . 1 1 82 82 TRP H H 82 9.126 9.126 8.295 0.831 19727 4494 1 8 . 1 1 83 83 SER N N 83 115.180 115.180 117.317 -2.137 19727 4495 1 8 . 1 1 83 83 SER HA H 83 5.490 5.490 4.829 0.661 19727 4496 1 8 . 1 1 83 83 SER CA C 83 57.080 57.080 56.588 0.492 19727 4497 1 8 . 1 1 83 83 SER CB C 83 65.680 65.680 65.776 -0.096 19727 4498 1 8 . 1 1 83 83 SER H H 83 9.045 9.045 8.671 0.374 19727 4499 1 8 . 1 1 84 84 LEU N N 84 125.420 125.420 124.678 0.742 19727 4500 1 8 . 1 1 84 84 LEU HA H 84 5.200 5.200 4.881 0.319 19727 4501 1 8 . 1 1 84 84 LEU CA C 84 54.600 54.600 54.149 0.451 19727 4502 1 8 . 1 1 84 84 LEU CB C 84 45.130 45.130 45.226 -0.096 19727 4503 1 8 . 1 1 84 84 LEU H H 84 8.889 8.889 8.695 0.194 19727 4504 1 8 . 1 1 85 85 GLU N N 85 127.397 127.397 124.552 2.845 19727 4505 1 8 . 1 1 85 85 GLU HA H 85 4.610 4.610 4.609 0.001 19727 4506 1 8 . 1 1 85 85 GLU CA C 85 55.310 55.310 55.230 0.080 19727 4507 1 8 . 1 1 85 85 GLU CB C 85 31.470 31.470 30.581 0.889 19727 4508 1 8 . 1 1 85 85 GLU H H 85 8.964 8.964 8.847 0.117 19727 4509 1 8 . 1 1 86 86 GLY N N 86 117.395 117.395 116.669 0.726 19727 4510 1 8 . 1 1 86 86 GLY CA C 86 47.580 47.580 46.614 0.966 19727 4511 1 8 . 1 1 86 86 GLY H H 86 9.039 9.039 8.846 0.193 19727 4512 1 8 . 1 1 87 87 ASN N N 87 122.457 122.457 123.526 -1.069 19727 4513 1 8 . 1 1 87 87 ASN HA H 87 4.820 4.820 5.056 -0.236 19727 4514 1 8 . 1 1 87 87 ASN CA C 87 53.170 53.170 52.910 0.260 19727 4515 1 8 . 1 1 87 87 ASN CB C 87 38.800 38.800 39.794 -0.994 19727 4516 1 8 . 1 1 87 87 ASN H H 87 8.765 8.765 8.763 0.002 19727 4517 1 8 . 1 1 88 88 LYS N N 88 117.971 117.971 118.117 -0.146 19727 4518 1 8 . 1 1 88 88 LYS HA H 88 4.960 4.960 4.914 0.046 19727 4519 1 8 . 1 1 88 88 LYS CA C 88 56.000 56.000 54.936 1.064 19727 4520 1 8 . 1 1 88 88 LYS CB C 88 35.580 35.580 35.871 -0.291 19727 4521 1 8 . 1 1 88 88 LYS H H 88 7.986 7.986 7.514 0.472 19727 4522 1 8 . 1 1 89 89 LEU N N 89 122.876 122.876 116.623 6.253 19727 4523 1 8 . 1 1 89 89 LEU HA H 89 5.010 5.010 5.201 -0.191 19727 4524 1 8 . 1 1 89 89 LEU CA C 89 53.450 53.450 53.557 -0.107 19727 4525 1 8 . 1 1 89 89 LEU CB C 89 43.856 43.856 44.627 -0.771 19727 4526 1 8 . 1 1 89 89 LEU H H 89 8.622 8.622 7.906 0.716 19727 4527 1 8 . 1 1 90 90 ILE N N 90 124.780 124.780 119.251 5.529 19727 4528 1 8 . 1 1 90 90 ILE HA H 90 4.600 4.600 4.551 0.049 19727 4529 1 8 . 1 1 90 90 ILE CA C 90 60.250 60.250 59.704 0.546 19727 4530 1 8 . 1 1 90 90 ILE CB C 90 38.760 38.760 40.187 -1.427 19727 4531 1 8 . 1 1 90 90 ILE H H 90 9.589 9.589 8.898 0.691 19727 4532 1 8 . 1 1 91 91 GLY N N 91 121.700 121.700 113.367 8.333 19727 4533 1 8 . 1 1 91 91 GLY CA C 91 44.680 44.680 43.104 1.576 19727 4534 1 8 . 1 1 91 91 GLY H H 91 9.620 9.620 8.508 1.112 19727 4535 1 8 . 1 1 92 92 LYS N N 92 127.600 127.600 119.956 7.644 19727 4536 1 8 . 1 1 92 92 LYS HA H 92 4.710 4.710 5.127 -0.417 19727 4537 1 8 . 1 1 92 92 LYS CA C 92 55.450 55.450 55.264 0.186 19727 4538 1 8 . 1 1 92 92 LYS CB C 92 33.530 33.530 35.161 -1.631 19727 4539 1 8 . 1 1 92 92 LYS H H 92 7.730 7.730 8.008 -0.278 19727 4540 1 8 . 1 1 93 93 PHE N N 93 122.003 122.003 122.885 -0.882 19727 4541 1 8 . 1 1 93 93 PHE HA H 93 5.200 5.200 5.058 0.142 19727 4542 1 8 . 1 1 93 93 PHE CA C 93 55.960 55.960 56.578 -0.618 19727 4543 1 8 . 1 1 93 93 PHE CB C 93 44.350 44.350 41.836 2.514 19727 4544 1 8 . 1 1 93 93 PHE H H 93 8.443 8.443 9.050 -0.607 19727 4545 1 8 . 1 1 94 94 LYS N N 94 119.319 119.319 118.582 0.737 19727 4546 1 8 . 1 1 94 94 LYS HA H 94 5.050 5.050 5.451 -0.401 19727 4547 1 8 . 1 1 94 94 LYS CA C 94 55.150 55.150 54.732 0.418 19727 4548 1 8 . 1 1 94 94 LYS CB C 94 36.180 36.180 36.122 0.058 19727 4549 1 8 . 1 1 94 94 LYS H H 94 8.803 8.803 8.141 0.662 19727 4550 1 8 . 1 1 95 95 ARG N N 95 122.142 122.142 126.151 -4.009 19727 4551 1 8 . 1 1 95 95 ARG HA H 95 4.760 4.760 4.670 0.090 19727 4552 1 8 . 1 1 95 95 ARG CA C 95 56.030 56.030 57.070 -1.040 19727 4553 1 8 . 1 1 95 95 ARG CB C 95 31.720 31.720 31.250 0.470 19727 4554 1 8 . 1 1 95 95 ARG H H 95 8.738 8.738 8.642 0.096 19727 4555 1 8 . 1 1 96 96 THR N N 96 117.210 117.210 118.441 -1.231 19727 4556 1 8 . 1 1 96 96 THR HA H 96 4.060 4.060 4.155 -0.095 19727 4557 1 8 . 1 1 96 96 THR CA C 96 64.140 64.140 65.626 -1.486 19727 4558 1 8 . 1 1 96 96 THR CB C 96 68.570 68.570 68.774 -0.204 19727 4559 1 8 . 1 1 96 96 THR H H 96 8.520 8.520 8.268 0.252 19727 4560 1 8 . 1 1 97 97 ASP N N 97 120.647 120.647 121.455 -0.808 19727 4561 1 8 . 1 1 97 97 ASP HA H 97 4.330 4.330 4.430 -0.100 19727 4562 1 8 . 1 1 97 97 ASP CA C 97 56.200 56.200 56.436 -0.236 19727 4563 1 8 . 1 1 97 97 ASP CB C 97 38.860 38.860 41.236 -2.376 19727 4564 1 8 . 1 1 97 97 ASP H H 97 8.932 8.932 8.639 0.293 19727 4565 1 8 . 1 1 98 98 ASN N N 98 116.362 116.362 114.346 2.016 19727 4566 1 8 . 1 1 98 98 ASN HA H 98 4.750 4.750 4.760 -0.010 19727 4567 1 8 . 1 1 98 98 ASN CA C 98 51.640 51.640 53.080 -1.440 19727 4568 1 8 . 1 1 98 98 ASN CB C 98 39.340 39.340 39.538 -0.199 19727 4569 1 8 . 1 1 98 98 ASN H H 98 8.614 8.614 7.924 0.690 19727 4570 1 8 . 1 1 99 99 GLY N N 99 107.794 107.794 109.429 -1.635 19727 4571 1 8 . 1 1 99 99 GLY CA C 99 46.300 46.300 46.207 0.093 19727 4572 1 8 . 1 1 99 99 GLY H H 99 7.811 7.811 8.295 -0.484 19727 4573 1 8 . 1 1 100 100 ASN N N 100 118.972 118.972 118.228 0.744 19727 4574 1 8 . 1 1 100 100 ASN HA H 100 4.690 4.690 4.704 -0.014 19727 4575 1 8 . 1 1 100 100 ASN CA C 100 53.210 53.210 52.632 0.578 19727 4576 1 8 . 1 1 100 100 ASN CB C 100 38.970 38.970 39.565 -0.595 19727 4577 1 8 . 1 1 100 100 ASN H H 100 8.416 8.416 7.837 0.579 19727 4578 1 8 . 1 1 101 101 GLU N N 101 119.642 119.642 121.227 -1.585 19727 4579 1 8 . 1 1 101 101 GLU HA H 101 4.790 4.790 4.561 0.229 19727 4580 1 8 . 1 1 101 101 GLU CA C 101 57.020 57.020 56.745 0.275 19727 4581 1 8 . 1 1 101 101 GLU CB C 101 31.970 31.970 31.307 0.663 19727 4582 1 8 . 1 1 101 101 GLU H H 101 8.730 8.730 8.591 0.139 19727 4583 1 8 . 1 1 102 102 LEU N N 102 125.033 125.033 127.297 -2.264 19727 4584 1 8 . 1 1 102 102 LEU HA H 102 5.200 5.200 5.410 -0.210 19727 4585 1 8 . 1 1 102 102 LEU CA C 102 55.260 55.260 54.106 1.154 19727 4586 1 8 . 1 1 102 102 LEU CB C 102 45.870 45.870 45.983 -0.112 19727 4587 1 8 . 1 1 102 102 LEU H H 102 8.908 8.908 8.675 0.233 19727 4588 1 8 . 1 1 103 103 ASN N N 103 123.919 123.919 125.430 -1.511 19727 4589 1 8 . 1 1 103 103 ASN HA H 103 5.670 5.670 5.224 0.446 19727 4590 1 8 . 1 1 103 103 ASN CA C 103 52.150 52.150 52.135 0.015 19727 4591 1 8 . 1 1 103 103 ASN CB C 103 41.970 41.970 41.740 0.230 19727 4592 1 8 . 1 1 103 103 ASN H H 103 8.452 8.452 9.560 -1.108 19727 4593 1 8 . 1 1 104 104 THR N N 104 117.100 117.100 112.299 4.801 19727 4594 1 8 . 1 1 104 104 THR HA H 104 5.530 5.530 4.745 0.785 19727 4595 1 8 . 1 1 104 104 THR CA C 104 58.550 58.550 60.702 -2.152 19727 4596 1 8 . 1 1 104 104 THR CB C 104 70.450 70.450 70.756 -0.306 19727 4597 1 8 . 1 1 104 104 THR H H 104 9.050 9.050 8.857 0.193 19727 4598 1 8 . 1 1 105 105 VAL HA H 105 5.290 5.290 4.167 1.123 19727 4599 1 8 . 1 1 105 105 VAL CA C 105 61.070 61.070 61.248 -0.178 19727 4600 1 8 . 1 1 105 105 VAL CB C 105 36.290 36.290 33.993 2.297 19727 4601 1 8 . 1 1 106 106 ARG N N 106 124.249 124.249 127.452 -3.203 19727 4602 1 8 . 1 1 106 106 ARG CA C 106 54.890 54.890 54.832 0.058 19727 4603 1 8 . 1 1 106 106 ARG CB C 106 33.890 33.890 32.382 1.508 19727 4604 1 8 . 1 1 106 106 ARG H H 106 9.466 9.466 8.162 1.304 19727 4605 1 8 . 1 1 107 107 GLU N N 107 120.784 120.784 123.326 -2.542 19727 4606 1 8 . 1 1 107 107 GLU HA H 107 4.960 4.960 4.835 0.125 19727 4607 1 8 . 1 1 107 107 GLU CA C 107 54.810 54.810 53.979 0.831 19727 4608 1 8 . 1 1 107 107 GLU CB C 107 33.800 33.800 33.323 0.477 19727 4609 1 8 . 1 1 107 107 GLU H H 107 8.605 8.605 8.006 0.599 19727 4610 1 8 . 1 1 108 108 ILE N N 108 124.182 124.182 122.590 1.592 19727 4611 1 8 . 1 1 108 108 ILE HA H 108 4.780 4.780 4.260 0.520 19727 4612 1 8 . 1 1 108 108 ILE CA C 108 59.050 59.050 59.724 -0.673 19727 4613 1 8 . 1 1 108 108 ILE CB C 108 36.670 36.670 35.967 0.703 19727 4614 1 8 . 1 1 108 108 ILE H H 108 8.732 8.732 8.718 0.014 19727 4615 1 8 . 1 1 109 109 ILE N N 109 129.631 129.631 129.053 0.578 19727 4616 1 8 . 1 1 109 109 ILE HA H 109 4.250 4.250 4.112 0.138 19727 4617 1 8 . 1 1 109 109 ILE CA C 109 61.100 61.100 60.528 0.572 19727 4618 1 8 . 1 1 109 109 ILE CB C 109 39.290 39.290 38.863 0.427 19727 4619 1 8 . 1 1 109 109 ILE H H 109 8.903 8.903 7.976 0.927 19727 4620 1 8 . 1 1 110 110 GLY N N 110 119.473 119.473 117.614 1.859 19727 4621 1 8 . 1 1 110 110 GLY CA C 110 47.690 47.690 46.483 1.207 19727 4622 1 8 . 1 1 110 110 GLY H H 110 9.123 9.123 8.536 0.587 19727 4623 1 8 . 1 1 111 111 ASP N N 111 123.998 123.998 125.203 -1.205 19727 4624 1 8 . 1 1 111 111 ASP HA H 111 4.750 4.750 4.833 -0.083 19727 4625 1 8 . 1 1 111 111 ASP CA C 111 54.100 54.100 54.289 -0.189 19727 4626 1 8 . 1 1 111 111 ASP CB C 111 41.490 41.490 41.123 0.367 19727 4627 1 8 . 1 1 111 111 ASP H H 111 8.699 8.699 8.564 0.135 19727 4628 1 8 . 1 1 112 112 GLU N N 112 118.194 118.194 116.483 1.711 19727 4629 1 8 . 1 1 112 112 GLU HA H 112 5.150 5.150 4.816 0.334 19727 4630 1 8 . 1 1 112 112 GLU CA C 112 55.560 55.560 54.345 1.215 19727 4631 1 8 . 1 1 112 112 GLU CB C 112 33.200 33.200 34.038 -0.838 19727 4632 1 8 . 1 1 112 112 GLU H H 112 7.924 7.924 8.178 -0.254 19727 4633 1 8 . 1 1 113 113 LEU N N 113 123.501 123.501 120.421 3.080 19727 4634 1 8 . 1 1 113 113 LEU HA H 113 4.400 4.400 5.004 -0.604 19727 4635 1 8 . 1 1 113 113 LEU CA C 113 54.140 54.140 53.728 0.412 19727 4636 1 8 . 1 1 113 113 LEU CB C 113 42.180 42.180 44.624 -2.444 19727 4637 1 8 . 1 1 113 113 LEU H H 113 7.851 7.851 8.380 -0.529 19727 4638 1 8 . 1 1 114 114 VAL N N 114 127.898 127.898 125.103 2.795 19727 4639 1 8 . 1 1 114 114 VAL HA H 114 4.520 4.520 4.556 -0.036 19727 4640 1 8 . 1 1 114 114 VAL CA C 114 62.290 62.290 60.522 1.768 19727 4641 1 8 . 1 1 114 114 VAL CB C 114 33.430 33.430 34.217 -0.787 19727 4642 1 8 . 1 1 114 114 VAL H H 114 9.357 9.357 8.291 1.066 19727 4643 1 8 . 1 1 115 115 GLN N N 115 130.218 130.218 128.886 1.332 19727 4644 1 8 . 1 1 115 115 GLN HA H 115 5.710 5.710 5.225 0.485 19727 4645 1 8 . 1 1 115 115 GLN CA C 115 53.930 53.930 53.458 0.472 19727 4646 1 8 . 1 1 115 115 GLN CB C 115 30.060 30.060 32.133 -2.073 19727 4647 1 8 . 1 1 115 115 GLN H H 115 9.552 9.552 9.185 0.367 19727 4648 1 8 . 1 1 116 116 THR N N 116 121.078 121.078 118.671 2.407 19727 4649 1 8 . 1 1 116 116 THR HA H 116 5.080 5.080 5.108 -0.028 19727 4650 1 8 . 1 1 116 116 THR CA C 116 61.800 61.800 61.561 0.239 19727 4651 1 8 . 1 1 116 116 THR CB C 116 70.470 70.470 70.097 0.373 19727 4652 1 8 . 1 1 116 116 THR H H 116 8.832 8.832 8.087 0.745 19727 4653 1 8 . 1 1 117 117 TYR N N 117 125.712 125.712 126.337 -0.625 19727 4654 1 8 . 1 1 117 117 TYR HA H 117 4.950 4.950 5.663 -0.713 19727 4655 1 8 . 1 1 117 117 TYR CA C 117 56.430 56.430 56.325 0.105 19727 4656 1 8 . 1 1 117 117 TYR CB C 117 42.110 42.110 41.696 0.414 19727 4657 1 8 . 1 1 117 117 TYR H H 117 9.440 9.440 9.656 -0.216 19727 4658 1 8 . 1 1 118 118 VAL N N 118 120.314 120.314 119.454 0.860 19727 4659 1 8 . 1 1 118 118 VAL HA H 118 5.350 5.350 4.873 0.477 19727 4660 1 8 . 1 1 118 118 VAL CA C 118 62.170 62.170 61.260 0.910 19727 4661 1 8 . 1 1 118 118 VAL CB C 118 34.810 34.810 35.929 -1.119 19727 4662 1 8 . 1 1 118 118 VAL H H 118 9.026 9.026 9.465 -0.439 19727 4663 1 8 . 1 1 119 119 TYR N N 119 127.564 127.564 128.177 -0.613 19727 4664 1 8 . 1 1 119 119 TYR HA H 119 4.940 4.940 5.403 -0.463 19727 4665 1 8 . 1 1 119 119 TYR CA C 119 58.170 58.170 56.877 1.293 19727 4666 1 8 . 1 1 119 119 TYR CB C 119 43.490 43.490 40.499 2.990 19727 4667 1 8 . 1 1 119 119 TYR H H 119 9.041 9.041 9.360 -0.319 19727 4668 1 8 . 1 1 120 120 GLU N N 120 125.533 125.533 127.513 -1.980 19727 4669 1 8 . 1 1 120 120 GLU HA H 120 3.430 3.430 3.662 -0.232 19727 4670 1 8 . 1 1 120 120 GLU CA C 120 56.140 56.140 57.724 -1.584 19727 4671 1 8 . 1 1 120 120 GLU CB C 120 28.400 28.400 27.418 0.982 19727 4672 1 8 . 1 1 120 120 GLU H H 120 9.509 9.509 8.758 0.751 19727 4673 1 8 . 1 1 121 121 GLY N N 121 102.076 102.076 108.283 -6.207 19727 4674 1 8 . 1 1 121 121 GLY CA C 121 45.480 45.480 46.074 -0.594 19727 4675 1 8 . 1 1 121 121 GLY H H 121 8.374 8.374 8.376 -0.002 19727 4676 1 8 . 1 1 122 122 VAL N N 122 123.797 123.797 121.904 1.893 19727 4677 1 8 . 1 1 122 122 VAL HA H 122 4.190 4.190 4.137 0.053 19727 4678 1 8 . 1 1 122 122 VAL CA C 122 62.660 62.660 63.096 -0.436 19727 4679 1 8 . 1 1 122 122 VAL CB C 122 32.980 32.980 32.685 0.295 19727 4680 1 8 . 1 1 122 122 VAL H H 122 8.371 8.371 7.861 0.510 19727 4681 1 8 . 1 1 123 123 GLU N N 123 126.257 126.257 125.570 0.687 19727 4682 1 8 . 1 1 123 123 GLU HA H 123 5.670 5.670 5.154 0.516 19727 4683 1 8 . 1 1 123 123 GLU CA C 123 54.010 54.010 55.991 -1.981 19727 4684 1 8 . 1 1 123 123 GLU CB C 123 32.850 32.850 33.175 -0.325 19727 4685 1 8 . 1 1 123 123 GLU H H 123 8.511 8.511 8.794 -0.283 19727 4686 1 8 . 1 1 124 124 ALA N N 124 126.354 126.354 129.101 -2.747 19727 4687 1 8 . 1 1 124 124 ALA HA H 124 5.150 5.150 4.921 0.229 19727 4688 1 8 . 1 1 124 124 ALA CA C 124 50.860 50.860 50.442 0.418 19727 4689 1 8 . 1 1 124 124 ALA CB C 124 24.060 24.060 21.798 2.262 19727 4690 1 8 . 1 1 124 124 ALA H H 124 9.258 9.258 9.018 0.240 19727 4691 1 8 . 1 1 125 125 LYS N N 125 115.989 115.989 122.953 -6.964 19727 4692 1 8 . 1 1 125 125 LYS HA H 125 5.760 5.760 5.535 0.225 19727 4693 1 8 . 1 1 125 125 LYS CA C 125 55.130 55.130 53.985 1.145 19727 4694 1 8 . 1 1 125 125 LYS CB C 125 38.130 38.130 36.137 1.993 19727 4695 1 8 . 1 1 125 125 LYS H H 125 8.847 8.847 8.705 0.142 19727 4696 1 8 . 1 1 126 126 ARG N N 126 120.557 120.557 121.018 -0.461 19727 4697 1 8 . 1 1 126 126 ARG HA H 126 4.750 4.750 4.754 -0.004 19727 4698 1 8 . 1 1 126 126 ARG CA C 126 56.940 56.940 56.005 0.935 19727 4699 1 8 . 1 1 126 126 ARG CB C 126 34.040 34.040 33.548 0.492 19727 4700 1 8 . 1 1 126 126 ARG H H 126 9.241 9.241 9.103 0.138 19727 4701 1 8 . 1 1 127 127 ILE N N 127 122.970 122.970 126.050 -3.080 19727 4702 1 8 . 1 1 127 127 ILE HA H 127 5.020 5.020 4.915 0.105 19727 4703 1 8 . 1 1 127 127 ILE CA C 127 61.670 61.670 59.341 2.329 19727 4704 1 8 . 1 1 127 127 ILE CB C 127 40.200 40.200 37.912 2.288 19727 4705 1 8 . 1 1 127 127 ILE H H 127 8.785 8.785 8.243 0.542 19727 4706 1 8 . 1 1 128 128 PHE N N 128 126.381 126.381 126.909 -0.528 19727 4707 1 8 . 1 1 128 128 PHE HA H 128 5.260 5.260 4.921 0.339 19727 4708 1 8 . 1 1 128 128 PHE CA C 128 56.050 56.050 56.310 -0.260 19727 4709 1 8 . 1 1 128 128 PHE CB C 128 42.730 42.730 43.425 -0.695 19727 4710 1 8 . 1 1 128 128 PHE H H 128 10.070 10.070 9.125 0.945 19727 4711 1 8 . 1 1 129 129 LYS N N 129 118.294 118.294 120.781 -2.487 19727 4712 1 8 . 1 1 129 129 LYS HA H 129 5.310 5.310 4.198 1.112 19727 4713 1 8 . 1 1 129 129 LYS CA C 129 54.740 54.740 53.905 0.835 19727 4714 1 8 . 1 1 129 129 LYS CB C 129 37.070 37.070 35.833 1.237 19727 4715 1 8 . 1 1 129 129 LYS H H 129 8.866 8.866 7.011 1.855 19727 4716 1 8 . 1 1 130 130 LYS N N 130 123.147 123.147 119.170 3.977 19727 4717 1 8 . 1 1 130 130 LYS HA H 130 4.090 4.090 4.301 -0.211 19727 4718 1 8 . 1 1 130 130 LYS CA C 130 57.790 57.790 54.692 3.098 19727 4719 1 8 . 1 1 130 130 LYS CB C 130 33.020 33.020 34.152 -1.132 19727 4720 1 8 . 1 1 130 130 LYS H H 130 9.057 9.057 8.068 0.989 19727 4721 1 9 . 1 1 2 2 PHE N N 2 113.067 113.067 120.229 -7.162 19727 4722 1 9 . 1 1 2 2 PHE HA H 2 4.440 4.440 4.579 -0.139 19727 4723 1 9 . 1 1 2 2 PHE CA C 2 59.610 59.610 58.104 1.506 19727 4724 1 9 . 1 1 2 2 PHE CB C 2 39.760 39.760 39.507 0.253 19727 4725 1 9 . 1 1 2 2 PHE H H 2 8.270 8.270 8.181 0.089 19727 4726 1 9 . 1 1 3 3 ASP N N 3 118.589 118.589 119.642 -1.053 19727 4727 1 9 . 1 1 3 3 ASP HA H 3 4.890 4.890 4.291 0.599 19727 4728 1 9 . 1 1 3 3 ASP CA C 3 55.030 55.030 55.666 -0.636 19727 4729 1 9 . 1 1 3 3 ASP CB C 3 39.460 39.460 40.061 -0.601 19727 4730 1 9 . 1 1 3 3 ASP H H 3 7.554 7.554 8.366 -0.812 19727 4731 1 9 . 1 1 4 4 SER N N 4 120.654 120.654 119.264 1.390 19727 4732 1 9 . 1 1 4 4 SER HA H 4 4.250 4.250 4.665 -0.415 19727 4733 1 9 . 1 1 4 4 SER CA C 4 59.530 59.530 58.363 1.167 19727 4734 1 9 . 1 1 4 4 SER CB C 4 65.300 65.300 65.889 -0.589 19727 4735 1 9 . 1 1 4 4 SER H H 4 8.250 8.250 7.611 0.639 19727 4736 1 9 . 1 1 5 5 THR N N 5 115.812 115.812 119.786 -3.974 19727 4737 1 9 . 1 1 5 5 THR HA H 5 5.160 5.160 4.616 0.544 19727 4738 1 9 . 1 1 5 5 THR CA C 5 63.480 63.480 62.873 0.607 19727 4739 1 9 . 1 1 5 5 THR CB C 5 69.630 69.630 68.876 0.754 19727 4740 1 9 . 1 1 5 5 THR H H 5 8.041 8.041 8.808 -0.767 19727 4741 1 9 . 1 1 6 6 TRP N N 6 128.256 128.256 128.503 -0.247 19727 4742 1 9 . 1 1 6 6 TRP HA H 6 5.240 5.240 5.346 -0.106 19727 4743 1 9 . 1 1 6 6 TRP CA C 6 55.770 55.770 55.271 0.499 19727 4744 1 9 . 1 1 6 6 TRP CB C 6 32.800 32.800 31.348 1.452 19727 4745 1 9 . 1 1 6 6 TRP H H 6 9.514 9.514 9.326 0.188 19727 4746 1 9 . 1 1 7 7 LYS N N 7 122.895 122.895 122.226 0.669 19727 4747 1 9 . 1 1 7 7 LYS HA H 7 5.490 5.490 4.980 0.510 19727 4748 1 9 . 1 1 7 7 LYS CA C 7 54.680 54.680 54.801 -0.121 19727 4749 1 9 . 1 1 7 7 LYS CB C 7 35.840 35.840 35.352 0.488 19727 4750 1 9 . 1 1 7 7 LYS H H 7 9.954 9.954 8.880 1.074 19727 4751 1 9 . 1 1 8 8 VAL N N 8 128.078 128.078 125.411 2.667 19727 4752 1 9 . 1 1 8 8 VAL HA H 8 3.280 3.280 4.156 -0.876 19727 4753 1 9 . 1 1 8 8 VAL CA C 8 64.810 64.810 63.519 1.292 19727 4754 1 9 . 1 1 8 8 VAL CB C 8 31.790 31.790 33.214 -1.424 19727 4755 1 9 . 1 1 8 8 VAL H H 8 8.780 8.780 8.096 0.684 19727 4756 1 9 . 1 1 9 9 ASP N N 9 127.565 127.565 128.400 -0.835 19727 4757 1 9 . 1 1 9 9 ASP HA H 9 4.930 4.930 4.653 0.277 19727 4758 1 9 . 1 1 9 9 ASP CA C 9 55.750 55.750 56.342 -0.592 19727 4759 1 9 . 1 1 9 9 ASP CB C 9 46.830 46.830 42.542 4.288 19727 4760 1 9 . 1 1 9 9 ASP H H 9 9.712 9.712 8.360 1.352 19727 4761 1 9 . 1 1 10 10 ARG N N 10 112.578 112.578 114.896 -2.318 19727 4762 1 9 . 1 1 10 10 ARG HA H 10 4.740 4.740 4.656 0.084 19727 4763 1 9 . 1 1 10 10 ARG CA C 10 55.200 55.200 55.252 -0.052 19727 4764 1 9 . 1 1 10 10 ARG CB C 10 31.470 31.470 32.818 -1.348 19727 4765 1 9 . 1 1 10 10 ARG H H 10 7.823 7.823 7.529 0.294 19727 4766 1 9 . 1 1 11 11 SER N N 11 113.123 113.123 115.182 -2.059 19727 4767 1 9 . 1 1 11 11 SER HA H 11 5.270 5.270 4.929 0.341 19727 4768 1 9 . 1 1 11 11 SER CA C 11 57.490 57.490 57.710 -0.220 19727 4769 1 9 . 1 1 11 11 SER CB C 11 66.620 66.620 65.971 0.649 19727 4770 1 9 . 1 1 11 11 SER H H 11 8.602 8.602 8.531 0.071 19727 4771 1 9 . 1 1 12 12 GLU N N 12 121.867 121.867 124.629 -2.762 19727 4772 1 9 . 1 1 12 12 GLU HA H 12 4.760 4.760 4.663 0.097 19727 4773 1 9 . 1 1 12 12 GLU CA C 12 55.420 55.420 55.059 0.361 19727 4774 1 9 . 1 1 12 12 GLU CB C 12 33.060 33.060 31.058 2.002 19727 4775 1 9 . 1 1 12 12 GLU H H 12 9.447 9.447 9.090 0.357 19727 4776 1 9 . 1 1 13 13 ASN N N 13 121.822 121.822 119.717 2.105 19727 4777 1 9 . 1 1 13 13 ASN HA H 13 4.720 4.720 4.416 0.304 19727 4778 1 9 . 1 1 13 13 ASN CA C 13 54.200 54.200 55.200 -1.000 19727 4779 1 9 . 1 1 13 13 ASN CB C 13 39.870 39.870 37.364 2.506 19727 4780 1 9 . 1 1 13 13 ASN H H 13 9.350 9.350 9.231 0.119 19727 4781 1 9 . 1 1 14 14 TYR N N 14 120.082 120.082 119.506 0.576 19727 4782 1 9 . 1 1 14 14 TYR HA H 14 4.290 4.290 3.923 0.367 19727 4783 1 9 . 1 1 14 14 TYR CA C 14 60.700 60.700 60.610 0.090 19727 4784 1 9 . 1 1 14 14 TYR CB C 14 39.620 39.620 38.156 1.464 19727 4785 1 9 . 1 1 14 14 TYR H H 14 8.357 8.357 8.478 -0.121 19727 4786 1 9 . 1 1 15 15 ASP N N 15 118.245 118.245 119.036 -0.791 19727 4787 1 9 . 1 1 15 15 ASP HA H 15 4.060 4.060 4.374 -0.314 19727 4788 1 9 . 1 1 15 15 ASP CA C 15 58.620 58.620 57.958 0.662 19727 4789 1 9 . 1 1 15 15 ASP CB C 15 41.140 41.140 40.318 0.822 19727 4790 1 9 . 1 1 15 15 ASP H H 15 8.562 8.562 8.764 -0.202 19727 4791 1 9 . 1 1 16 16 LYS N N 16 118.806 118.806 119.055 -0.249 19727 4792 1 9 . 1 1 16 16 LYS HA H 16 4.050 4.050 4.143 -0.093 19727 4793 1 9 . 1 1 16 16 LYS CA C 16 58.610 58.610 59.526 -0.916 19727 4794 1 9 . 1 1 16 16 LYS CB C 16 31.550 31.550 32.370 -0.820 19727 4795 1 9 . 1 1 16 16 LYS H H 16 7.801 7.801 8.371 -0.570 19727 4796 1 9 . 1 1 17 17 PHE N N 17 120.733 120.733 117.318 3.415 19727 4797 1 9 . 1 1 17 17 PHE HA H 17 4.020 4.020 4.356 -0.336 19727 4798 1 9 . 1 1 17 17 PHE CA C 17 61.620 61.620 61.013 0.607 19727 4799 1 9 . 1 1 17 17 PHE CB C 17 40.250 40.250 38.356 1.894 19727 4800 1 9 . 1 1 17 17 PHE H H 17 7.543 7.543 8.215 -0.672 19727 4801 1 9 . 1 1 18 18 MET N N 18 117.590 117.590 117.796 -0.206 19727 4802 1 9 . 1 1 18 18 MET HA H 18 3.210 3.210 4.246 -1.036 19727 4803 1 9 . 1 1 18 18 MET CA C 18 59.860 59.860 57.097 2.763 19727 4804 1 9 . 1 1 18 18 MET CB C 18 34.110 34.110 31.470 2.640 19727 4805 1 9 . 1 1 18 18 MET H H 18 8.063 8.063 7.695 0.368 19727 4806 1 9 . 1 1 19 19 GLU N N 19 120.480 120.480 121.525 -1.045 19727 4807 1 9 . 1 1 19 19 GLU HA H 19 3.830 3.830 4.124 -0.294 19727 4808 1 9 . 1 1 19 19 GLU CA C 19 60.040 60.040 59.010 1.030 19727 4809 1 9 . 1 1 19 19 GLU CB C 19 29.790 29.790 29.655 0.135 19727 4810 1 9 . 1 1 19 19 GLU H H 19 8.430 8.430 8.654 -0.224 19727 4811 1 9 . 1 1 20 20 LYS N N 20 122.631 122.631 119.035 3.596 19727 4812 1 9 . 1 1 20 20 LYS HA H 20 4.070 4.070 4.159 -0.089 19727 4813 1 9 . 1 1 20 20 LYS CA C 20 57.400 57.400 58.667 -1.267 19727 4814 1 9 . 1 1 20 20 LYS CB C 20 31.940 31.940 32.734 -0.794 19727 4815 1 9 . 1 1 20 20 LYS H H 20 8.080 8.080 8.278 -0.198 19727 4816 1 9 . 1 1 21 21 MET N N 21 114.794 114.794 114.853 -0.059 19727 4817 1 9 . 1 1 21 21 MET HA H 21 3.810 3.810 4.365 -0.555 19727 4818 1 9 . 1 1 21 21 MET CA C 21 56.310 56.310 56.215 0.095 19727 4819 1 9 . 1 1 21 21 MET CB C 21 32.729 32.729 33.457 -0.728 19727 4820 1 9 . 1 1 21 21 MET H H 21 7.554 7.554 7.563 -0.009 19727 4821 1 9 . 1 1 22 22 GLY N N 22 107.423 107.423 106.942 0.481 19727 4822 1 9 . 1 1 22 22 GLY CA C 22 45.310 45.310 44.952 0.358 19727 4823 1 9 . 1 1 22 22 GLY H H 22 7.718 7.718 7.968 -0.250 19727 4824 1 9 . 1 1 23 23 VAL N N 23 121.380 121.380 120.796 0.584 19727 4825 1 9 . 1 1 23 23 VAL HA H 23 3.770 3.770 3.922 -0.152 19727 4826 1 9 . 1 1 23 23 VAL CA C 23 62.650 62.650 61.943 0.707 19727 4827 1 9 . 1 1 23 23 VAL CB C 23 32.060 32.060 31.964 0.096 19727 4828 1 9 . 1 1 23 23 VAL H H 23 7.491 7.491 7.997 -0.506 19727 4829 1 9 . 1 1 24 24 ASN N N 24 127.861 127.861 124.278 3.583 19727 4830 1 9 . 1 1 24 24 ASN HA H 24 4.430 4.430 4.425 0.005 19727 4831 1 9 . 1 1 24 24 ASN CA C 24 54.090 54.090 54.386 -0.296 19727 4832 1 9 . 1 1 24 24 ASN CB C 24 39.330 39.330 39.497 -0.167 19727 4833 1 9 . 1 1 24 24 ASN H H 24 8.780 8.780 8.633 0.147 19727 4834 1 9 . 1 1 25 25 ILE N N 25 121.002 121.002 121.139 -0.137 19727 4835 1 9 . 1 1 25 25 ILE HA H 25 3.660 3.660 4.012 -0.352 19727 4836 1 9 . 1 1 25 25 ILE CA C 25 65.350 65.350 62.368 2.982 19727 4837 1 9 . 1 1 25 25 ILE CB C 25 38.910 38.910 38.521 0.389 19727 4838 1 9 . 1 1 25 25 ILE H H 25 8.494 8.494 8.532 -0.038 19727 4839 1 9 . 1 1 26 26 VAL N N 26 121.014 121.014 119.919 1.095 19727 4840 1 9 . 1 1 26 26 VAL HA H 26 3.680 3.680 3.579 0.101 19727 4841 1 9 . 1 1 26 26 VAL CA C 26 66.080 66.080 67.125 -1.045 19727 4842 1 9 . 1 1 26 26 VAL CB C 26 31.930 31.930 30.969 0.961 19727 4843 1 9 . 1 1 26 26 VAL H H 26 7.569 7.569 7.576 -0.007 19727 4844 1 9 . 1 1 27 27 LYS N N 27 118.674 118.674 117.303 1.371 19727 4845 1 9 . 1 1 27 27 LYS HA H 27 4.140 4.140 4.159 -0.019 19727 4846 1 9 . 1 1 27 27 LYS CA C 27 58.240 58.240 58.794 -0.554 19727 4847 1 9 . 1 1 27 27 LYS CB C 27 32.610 32.610 31.929 0.681 19727 4848 1 9 . 1 1 27 27 LYS H H 27 7.729 7.729 8.150 -0.421 19727 4849 1 9 . 1 1 28 28 ARG N N 28 119.667 119.667 120.334 -0.667 19727 4850 1 9 . 1 1 28 28 ARG HA H 28 3.740 3.740 4.060 -0.320 19727 4851 1 9 . 1 1 28 28 ARG CA C 28 60.040 60.040 57.749 2.291 19727 4852 1 9 . 1 1 28 28 ARG CB C 28 30.760 30.760 29.685 1.075 19727 4853 1 9 . 1 1 28 28 ARG H H 28 8.418 8.418 7.534 0.884 19727 4854 1 9 . 1 1 29 29 LYS N N 29 118.502 118.502 119.636 -1.134 19727 4855 1 9 . 1 1 29 29 LYS HA H 29 4.040 4.040 3.931 0.109 19727 4856 1 9 . 1 1 29 29 LYS CA C 29 59.460 59.460 59.356 0.104 19727 4857 1 9 . 1 1 29 29 LYS CB C 29 32.440 32.440 31.890 0.550 19727 4858 1 9 . 1 1 29 29 LYS H H 29 7.611 7.611 8.215 -0.604 19727 4859 1 9 . 1 1 30 30 LEU N N 30 119.200 119.200 115.566 3.634 19727 4860 1 9 . 1 1 30 30 LEU HA H 30 4.170 4.170 4.438 -0.268 19727 4861 1 9 . 1 1 30 30 LEU CA C 30 57.560 57.560 55.925 1.635 19727 4862 1 9 . 1 1 30 30 LEU CB C 30 42.320 42.320 42.225 0.095 19727 4863 1 9 . 1 1 30 30 LEU H H 30 7.292 7.292 7.592 -0.300 19727 4864 1 9 . 1 1 31 31 ALA N N 31 120.380 120.380 120.545 -0.165 19727 4865 1 9 . 1 1 31 31 ALA HA H 31 4.080 4.080 4.068 0.012 19727 4866 1 9 . 1 1 31 31 ALA CA C 31 54.370 54.370 53.496 0.874 19727 4867 1 9 . 1 1 31 31 ALA CB C 31 19.300 19.300 18.367 0.933 19727 4868 1 9 . 1 1 31 31 ALA H H 31 8.257 8.257 7.520 0.737 19727 4869 1 9 . 1 1 32 32 ALA N N 32 117.152 117.152 120.114 -2.962 19727 4870 1 9 . 1 1 32 32 ALA HA H 32 4.130 4.130 3.438 0.692 19727 4871 1 9 . 1 1 32 32 ALA CA C 32 54.060 54.060 53.998 0.062 19727 4872 1 9 . 1 1 32 32 ALA CB C 32 18.710 18.710 18.475 0.235 19727 4873 1 9 . 1 1 32 32 ALA H H 32 7.320 7.320 7.756 -0.436 19727 4874 1 9 . 1 1 33 33 HIS N N 33 115.869 115.869 108.431 7.438 19727 4875 1 9 . 1 1 33 33 HIS HA H 33 5.000 5.000 4.561 0.439 19727 4876 1 9 . 1 1 33 33 HIS CA C 33 54.200 54.200 56.229 -2.029 19727 4877 1 9 . 1 1 33 33 HIS CB C 33 28.310 28.310 29.126 -0.816 19727 4878 1 9 . 1 1 33 33 HIS H H 33 7.675 7.675 7.293 0.382 19727 4879 1 9 . 1 1 34 34 ASP N N 34 117.892 117.892 122.453 -4.561 19727 4880 1 9 . 1 1 34 34 ASP HA H 34 4.200 4.200 4.580 -0.380 19727 4881 1 9 . 1 1 34 34 ASP CA C 34 54.450 54.450 56.496 -2.046 19727 4882 1 9 . 1 1 34 34 ASP CB C 34 40.740 40.740 41.204 -0.464 19727 4883 1 9 . 1 1 34 34 ASP H H 34 7.430 7.430 8.547 -1.117 19727 4884 1 9 . 1 1 35 35 ASN N N 35 118.996 118.996 118.470 0.526 19727 4885 1 9 . 1 1 35 35 ASN HA H 35 4.310 4.310 4.856 -0.546 19727 4886 1 9 . 1 1 35 35 ASN CA C 35 53.650 53.650 51.804 1.846 19727 4887 1 9 . 1 1 35 35 ASN CB C 35 37.760 37.760 37.858 -0.098 19727 4888 1 9 . 1 1 35 35 ASN H H 35 9.086 9.086 8.010 1.076 19727 4889 1 9 . 1 1 36 36 LEU N N 36 118.708 118.708 121.934 -3.226 19727 4890 1 9 . 1 1 36 36 LEU CA C 36 57.330 57.330 54.290 3.040 19727 4891 1 9 . 1 1 36 36 LEU CB C 36 42.810 42.810 45.973 -3.163 19727 4892 1 9 . 1 1 36 36 LEU H H 36 6.914 6.914 7.965 -1.051 19727 4893 1 9 . 1 1 37 37 LYS N N 37 126.148 126.148 125.693 0.455 19727 4894 1 9 . 1 1 37 37 LYS HA H 37 5.650 5.650 4.925 0.725 19727 4895 1 9 . 1 1 37 37 LYS CA C 37 55.170 55.170 54.690 0.480 19727 4896 1 9 . 1 1 37 37 LYS CB C 37 36.200 36.200 35.390 0.810 19727 4897 1 9 . 1 1 37 37 LYS H H 37 9.246 9.246 8.297 0.949 19727 4898 1 9 . 1 1 38 38 LEU N N 38 122.300 122.300 128.203 -5.903 19727 4899 1 9 . 1 1 38 38 LEU HA H 38 5.550 5.550 4.761 0.789 19727 4900 1 9 . 1 1 38 38 LEU CA C 38 52.870 52.870 53.502 -0.632 19727 4901 1 9 . 1 1 38 38 LEU CB C 38 46.720 46.720 45.543 1.177 19727 4902 1 9 . 1 1 38 38 LEU H H 38 9.324 9.324 9.139 0.185 19727 4903 1 9 . 1 1 39 39 THR N N 39 120.586 120.586 120.352 0.234 19727 4904 1 9 . 1 1 39 39 THR HA H 39 5.280 5.280 5.073 0.207 19727 4905 1 9 . 1 1 39 39 THR CA C 39 62.950 62.950 61.079 1.871 19727 4906 1 9 . 1 1 39 39 THR CB C 39 70.590 70.590 71.794 -1.204 19727 4907 1 9 . 1 1 39 39 THR H H 39 9.191 9.191 8.172 1.019 19727 4908 1 9 . 1 1 40 40 ILE N N 40 128.371 128.371 121.259 7.112 19727 4909 1 9 . 1 1 40 40 ILE HA H 40 4.860 4.860 4.562 0.298 19727 4910 1 9 . 1 1 40 40 ILE CA C 40 61.570 61.570 60.249 1.321 19727 4911 1 9 . 1 1 40 40 ILE CB C 40 40.060 40.060 41.951 -1.891 19727 4912 1 9 . 1 1 40 40 ILE H H 40 8.531 8.531 8.605 -0.074 19727 4913 1 9 . 1 1 41 41 THR N N 41 120.285 120.285 117.228 3.057 19727 4914 1 9 . 1 1 41 41 THR HA H 41 4.510 4.510 5.033 -0.523 19727 4915 1 9 . 1 1 41 41 THR CA C 41 60.930 60.930 60.122 0.808 19727 4916 1 9 . 1 1 41 41 THR CB C 41 71.450 71.450 71.397 0.052 19727 4917 1 9 . 1 1 41 41 THR H H 41 8.624 8.624 7.655 0.969 19727 4918 1 9 . 1 1 42 42 GLN N N 42 126.369 126.369 120.662 5.707 19727 4919 1 9 . 1 1 42 42 GLN CA C 42 54.400 54.400 55.068 -0.668 19727 4920 1 9 . 1 1 42 42 GLN CB C 42 30.560 30.560 30.338 0.222 19727 4921 1 9 . 1 1 42 42 GLN H H 42 9.050 9.050 8.358 0.692 19727 4922 1 9 . 1 1 43 43 GLU N N 43 128.036 128.036 124.564 3.472 19727 4923 1 9 . 1 1 43 43 GLU HA H 43 4.400 4.400 4.477 -0.077 19727 4924 1 9 . 1 1 43 43 GLU CA C 43 55.020 55.020 56.614 -1.595 19727 4925 1 9 . 1 1 43 43 GLU CB C 43 31.630 31.630 31.821 -0.191 19727 4926 1 9 . 1 1 43 43 GLU H H 43 8.807 8.807 8.592 0.215 19727 4927 1 9 . 1 1 44 44 GLY N N 44 117.000 117.000 114.279 2.721 19727 4928 1 9 . 1 1 44 44 GLY CA C 44 47.460 47.460 45.743 1.717 19727 4929 1 9 . 1 1 44 44 GLY H H 44 9.060 9.060 8.348 0.712 19727 4930 1 9 . 1 1 45 45 ASN N N 45 124.910 124.910 119.604 5.306 19727 4931 1 9 . 1 1 45 45 ASN HA H 45 4.830 4.830 4.704 0.126 19727 4932 1 9 . 1 1 45 45 ASN CA C 45 53.040 53.040 53.313 -0.273 19727 4933 1 9 . 1 1 45 45 ASN CB C 45 39.050 39.050 38.543 0.507 19727 4934 1 9 . 1 1 45 45 ASN H H 45 8.769 8.769 8.611 0.158 19727 4935 1 9 . 1 1 46 46 LYS N N 46 120.293 120.293 120.380 -0.087 19727 4936 1 9 . 1 1 46 46 LYS HA H 46 4.890 4.890 5.047 -0.157 19727 4937 1 9 . 1 1 46 46 LYS CA C 46 55.760 55.760 55.553 0.207 19727 4938 1 9 . 1 1 46 46 LYS CB C 46 34.610 34.610 35.190 -0.580 19727 4939 1 9 . 1 1 46 46 LYS H H 46 7.873 7.873 7.838 0.035 19727 4940 1 9 . 1 1 47 47 PHE N N 47 127.531 127.531 120.247 7.284 19727 4941 1 9 . 1 1 47 47 PHE HA H 47 4.700 4.700 4.979 -0.279 19727 4942 1 9 . 1 1 47 47 PHE CA C 47 56.450 56.450 54.160 2.289 19727 4943 1 9 . 1 1 47 47 PHE CB C 47 43.050 43.050 43.164 -0.114 19727 4944 1 9 . 1 1 47 47 PHE H H 47 9.130 9.130 9.026 0.104 19727 4945 1 9 . 1 1 48 48 THR N N 48 115.162 115.162 117.804 -2.642 19727 4946 1 9 . 1 1 48 48 THR HA H 48 4.770 4.770 4.508 0.262 19727 4947 1 9 . 1 1 48 48 THR CA C 48 62.090 62.090 61.664 0.426 19727 4948 1 9 . 1 1 48 48 THR CB C 48 70.280 70.280 70.129 0.151 19727 4949 1 9 . 1 1 48 48 THR H H 48 8.318 8.318 8.166 0.152 19727 4950 1 9 . 1 1 49 49 VAL N N 49 127.272 127.272 123.560 3.712 19727 4951 1 9 . 1 1 49 49 VAL HA H 49 4.840 4.840 4.569 0.271 19727 4952 1 9 . 1 1 49 49 VAL CA C 49 61.110 61.110 60.015 1.095 19727 4953 1 9 . 1 1 49 49 VAL CB C 49 34.330 34.330 32.419 1.911 19727 4954 1 9 . 1 1 49 49 VAL H H 49 9.580 9.580 7.889 1.691 19727 4955 1 9 . 1 1 50 50 LYS N N 50 127.439 127.439 127.689 -0.250 19727 4956 1 9 . 1 1 50 50 LYS HA H 50 4.993 4.993 4.550 0.443 19727 4957 1 9 . 1 1 50 50 LYS CA C 50 55.500 55.500 55.214 0.286 19727 4958 1 9 . 1 1 50 50 LYS CB C 50 33.320 33.320 34.020 -0.700 19727 4959 1 9 . 1 1 50 50 LYS H H 50 9.175 9.175 8.674 0.501 19727 4960 1 9 . 1 1 51 51 GLU N N 51 128.140 128.140 126.867 1.273 19727 4961 1 9 . 1 1 51 51 GLU HA H 51 5.090 5.090 5.394 -0.304 19727 4962 1 9 . 1 1 51 51 GLU CA C 51 55.160 55.160 55.691 -0.531 19727 4963 1 9 . 1 1 51 51 GLU CB C 51 31.450 31.450 32.052 -0.602 19727 4964 1 9 . 1 1 51 51 GLU H H 51 9.173 9.173 8.472 0.701 19727 4965 1 9 . 1 1 52 52 SER N N 52 120.997 120.997 119.635 1.362 19727 4966 1 9 . 1 1 52 52 SER CA C 52 56.630 56.630 56.974 -0.344 19727 4967 1 9 . 1 1 52 52 SER CB C 52 65.290 65.290 65.604 -0.314 19727 4968 1 9 . 1 1 52 52 SER H H 52 9.015 9.015 8.453 0.562 19727 4969 1 9 . 1 1 53 53 SER N N 53 117.567 117.567 119.459 -1.892 19727 4970 1 9 . 1 1 53 53 SER CA C 53 56.780 56.780 57.667 -0.887 19727 4971 1 9 . 1 1 53 53 SER CB C 53 68.320 68.320 65.964 2.356 19727 4972 1 9 . 1 1 53 53 SER H H 53 9.013 9.013 8.053 0.960 19727 4973 1 9 . 1 1 54 54 ALA N N 54 119.830 119.830 127.283 -7.453 19727 4974 1 9 . 1 1 54 54 ALA HA H 54 4.030 4.030 3.946 0.084 19727 4975 1 9 . 1 1 54 54 ALA CA C 54 54.030 54.030 54.747 -0.717 19727 4976 1 9 . 1 1 54 54 ALA CB C 54 18.380 18.380 18.037 0.343 19727 4977 1 9 . 1 1 54 54 ALA H H 54 9.009 9.009 8.652 0.357 19727 4978 1 9 . 1 1 55 55 PHE N N 55 112.640 112.640 119.141 -6.501 19727 4979 1 9 . 1 1 55 55 PHE H H 55 8.050 8.050 8.186 -0.136 19727 4980 1 9 . 1 1 57 57 ASN N N 57 119.170 119.170 116.835 2.335 19727 4981 1 9 . 1 1 57 57 ASN HA H 57 5.840 5.840 4.989 0.851 19727 4982 1 9 . 1 1 57 57 ASN CA C 57 53.190 53.190 52.323 0.867 19727 4983 1 9 . 1 1 57 57 ASN CB C 57 40.990 40.990 40.814 0.176 19727 4984 1 9 . 1 1 57 57 ASN H H 57 8.487 8.487 8.410 0.077 19727 4985 1 9 . 1 1 58 58 ILE N N 58 117.653 117.653 119.495 -1.842 19727 4986 1 9 . 1 1 58 58 ILE HA H 58 4.860 4.860 4.533 0.327 19727 4987 1 9 . 1 1 58 58 ILE CA C 58 60.150 60.150 60.271 -0.121 19727 4988 1 9 . 1 1 58 58 ILE CB C 58 43.590 43.590 42.485 1.105 19727 4989 1 9 . 1 1 58 58 ILE H H 58 8.803 8.803 8.656 0.147 19727 4990 1 9 . 1 1 59 59 GLU N N 59 123.376 123.376 124.371 -0.995 19727 4991 1 9 . 1 1 59 59 GLU HA H 59 5.260 5.260 4.892 0.368 19727 4992 1 9 . 1 1 59 59 GLU CA C 59 60.170 60.170 55.628 4.542 19727 4993 1 9 . 1 1 59 59 GLU CB C 59 32.900 32.900 33.616 -0.716 19727 4994 1 9 . 1 1 59 59 GLU H H 59 8.519 8.519 8.380 0.139 19727 4995 1 9 . 1 1 60 60 VAL N N 60 127.157 127.157 122.017 5.140 19727 4996 1 9 . 1 1 60 60 VAL HA H 60 4.460 4.460 3.963 0.497 19727 4997 1 9 . 1 1 60 60 VAL CA C 60 61.730 61.730 61.850 -0.120 19727 4998 1 9 . 1 1 60 60 VAL CB C 60 35.030 35.030 33.864 1.166 19727 4999 1 9 . 1 1 60 60 VAL H H 60 9.227 9.227 8.843 0.384 19727 5000 1 9 . 1 1 61 61 VAL N N 61 125.109 125.109 127.812 -2.703 19727 5001 1 9 . 1 1 61 61 VAL HA H 61 5.160 5.160 3.692 1.468 19727 5002 1 9 . 1 1 61 61 VAL CA C 61 60.350 60.350 63.580 -3.230 19727 5003 1 9 . 1 1 61 61 VAL CB C 61 34.600 34.600 32.079 2.521 19727 5004 1 9 . 1 1 61 61 VAL H H 61 8.179 8.179 8.076 0.103 19727 5005 1 9 . 1 1 62 62 PHE N N 62 121.713 121.713 122.766 -1.053 19727 5006 1 9 . 1 1 62 62 PHE HA H 62 4.840 4.840 4.731 0.109 19727 5007 1 9 . 1 1 62 62 PHE CA C 62 55.320 55.320 56.462 -1.142 19727 5008 1 9 . 1 1 62 62 PHE CB C 62 41.060 41.060 43.089 -2.029 19727 5009 1 9 . 1 1 62 62 PHE H H 62 8.432 8.432 8.920 -0.488 19727 5010 1 9 . 1 1 63 63 GLU N N 63 119.775 119.775 120.449 -0.674 19727 5011 1 9 . 1 1 63 63 GLU HA H 63 5.330 5.330 4.739 0.591 19727 5012 1 9 . 1 1 63 63 GLU CA C 63 53.700 53.700 54.460 -0.760 19727 5013 1 9 . 1 1 63 63 GLU CB C 63 32.720 32.720 33.939 -1.219 19727 5014 1 9 . 1 1 63 63 GLU H H 63 9.386 9.386 8.813 0.573 19727 5015 1 9 . 1 1 64 64 LEU N N 64 124.568 124.568 124.340 0.228 19727 5016 1 9 . 1 1 64 64 LEU HA H 64 4.530 4.530 4.351 0.179 19727 5017 1 9 . 1 1 64 64 LEU CA C 64 56.770 56.770 55.579 1.191 19727 5018 1 9 . 1 1 64 64 LEU CB C 64 41.390 41.390 41.011 0.379 19727 5019 1 9 . 1 1 64 64 LEU H H 64 8.834 8.834 8.549 0.285 19727 5020 1 9 . 1 1 65 65 GLY N N 65 108.336 108.336 113.215 -4.879 19727 5021 1 9 . 1 1 65 65 GLY CA C 65 46.210 46.210 44.753 1.457 19727 5022 1 9 . 1 1 65 65 GLY H H 65 9.299 9.299 9.334 -0.035 19727 5023 1 9 . 1 1 66 66 VAL N N 66 121.972 121.972 119.849 2.123 19727 5024 1 9 . 1 1 66 66 VAL HA H 66 4.380 4.380 4.435 -0.055 19727 5025 1 9 . 1 1 66 66 VAL CA C 66 62.660 62.660 60.530 2.130 19727 5026 1 9 . 1 1 66 66 VAL CB C 66 32.900 32.900 34.592 -1.692 19727 5027 1 9 . 1 1 66 66 VAL H H 66 7.905 7.905 7.529 0.376 19727 5028 1 9 . 1 1 67 67 THR N N 67 129.168 129.168 121.438 7.730 19727 5029 1 9 . 1 1 67 67 THR HA H 67 4.390 4.390 4.327 0.063 19727 5030 1 9 . 1 1 67 67 THR CA C 67 64.580 64.580 64.312 0.268 19727 5031 1 9 . 1 1 67 67 THR CB C 67 69.140 69.140 69.447 -0.307 19727 5032 1 9 . 1 1 67 67 THR H H 67 8.784 8.784 8.516 0.268 19727 5033 1 9 . 1 1 68 68 PHE N N 68 126.387 126.387 123.571 2.816 19727 5034 1 9 . 1 1 68 68 PHE HA H 68 5.120 5.120 4.431 0.689 19727 5035 1 9 . 1 1 68 68 PHE CA C 68 56.240 56.240 57.800 -1.560 19727 5036 1 9 . 1 1 68 68 PHE CB C 68 41.980 41.980 40.290 1.690 19727 5037 1 9 . 1 1 68 68 PHE H H 68 9.687 9.687 8.547 1.140 19727 5038 1 9 . 1 1 69 69 ASN N N 69 116.298 116.298 119.806 -3.508 19727 5039 1 9 . 1 1 69 69 ASN HA H 69 5.340 5.340 5.115 0.225 19727 5040 1 9 . 1 1 69 69 ASN CA C 69 51.630 51.630 53.350 -1.720 19727 5041 1 9 . 1 1 69 69 ASN CB C 69 40.640 40.640 42.050 -1.410 19727 5042 1 9 . 1 1 69 69 ASN H H 69 8.370 8.370 8.927 -0.557 19727 5043 1 9 . 1 1 70 70 TYR N N 70 120.913 120.913 120.809 0.104 19727 5044 1 9 . 1 1 70 70 TYR H H 70 8.655 8.655 8.186 0.469 19727 5045 1 9 . 1 1 73 73 ALA HA H 73 3.760 3.760 4.184 -0.424 19727 5046 1 9 . 1 1 73 73 ALA CA C 73 53.600 53.600 54.404 -0.804 19727 5047 1 9 . 1 1 73 73 ALA CB C 73 17.960 17.960 18.996 -1.036 19727 5048 1 9 . 1 1 74 74 ASP N N 74 113.641 113.641 118.066 -4.425 19727 5049 1 9 . 1 1 74 74 ASP CA C 74 52.960 52.960 53.958 -0.998 19727 5050 1 9 . 1 1 74 74 ASP CB C 74 39.210 39.210 41.019 -1.809 19727 5051 1 9 . 1 1 74 74 ASP H H 74 8.575 8.575 8.070 0.505 19727 5052 1 9 . 1 1 75 75 GLY N N 75 107.874 107.874 108.017 -0.143 19727 5053 1 9 . 1 1 75 75 GLY CA C 75 44.800 44.800 46.472 -1.672 19727 5054 1 9 . 1 1 75 75 GLY H H 75 7.745 7.745 8.340 -0.595 19727 5055 1 9 . 1 1 76 76 THR N N 76 119.192 119.192 115.333 3.859 19727 5056 1 9 . 1 1 76 76 THR CA C 76 64.980 64.980 62.178 2.802 19727 5057 1 9 . 1 1 76 76 THR CB C 76 68.240 68.240 70.371 -2.131 19727 5058 1 9 . 1 1 76 76 THR H H 76 7.724 7.724 7.646 0.078 19727 5059 1 9 . 1 1 77 77 GLU N N 77 128.678 128.678 121.977 6.701 19727 5060 1 9 . 1 1 77 77 GLU CA C 77 56.450 56.450 57.062 -0.612 19727 5061 1 9 . 1 1 77 77 GLU CB C 77 31.500 31.500 29.093 2.407 19727 5062 1 9 . 1 1 77 77 GLU H H 77 8.468 8.468 8.392 0.076 19727 5063 1 9 . 1 1 78 78 LEU N N 78 124.431 124.431 125.753 -1.322 19727 5064 1 9 . 1 1 78 78 LEU HA H 78 5.130 5.130 5.026 0.104 19727 5065 1 9 . 1 1 78 78 LEU CA C 78 53.230 53.230 53.987 -0.757 19727 5066 1 9 . 1 1 78 78 LEU CB C 78 45.400 45.400 44.819 0.581 19727 5067 1 9 . 1 1 78 78 LEU H H 78 8.875 8.875 7.646 1.229 19727 5068 1 9 . 1 1 79 79 ARG HA H 79 5.390 5.390 5.304 0.086 19727 5069 1 9 . 1 1 79 79 ARG CA C 79 54.560 54.560 54.941 -0.381 19727 5070 1 9 . 1 1 79 79 ARG CB C 79 33.860 33.860 33.109 0.750 19727 5071 1 9 . 1 1 80 80 GLY N N 80 115.450 115.450 111.348 4.102 19727 5072 1 9 . 1 1 80 80 GLY CA C 80 46.730 46.730 45.596 1.134 19727 5073 1 9 . 1 1 80 80 GLY H H 80 9.026 9.026 8.598 0.428 19727 5074 1 9 . 1 1 81 81 THR N N 81 106.379 106.379 111.767 -5.388 19727 5075 1 9 . 1 1 81 81 THR HA H 81 4.680 4.680 4.787 -0.107 19727 5076 1 9 . 1 1 81 81 THR CA C 81 59.010 59.010 60.997 -1.987 19727 5077 1 9 . 1 1 81 81 THR CB C 81 73.140 73.140 71.300 1.840 19727 5078 1 9 . 1 1 81 81 THR H H 81 6.937 6.937 8.072 -1.135 19727 5079 1 9 . 1 1 82 82 TRP N N 82 120.025 120.025 120.779 -0.754 19727 5080 1 9 . 1 1 82 82 TRP HA H 82 5.350 5.350 4.829 0.521 19727 5081 1 9 . 1 1 82 82 TRP CA C 82 56.400 56.400 57.067 -0.667 19727 5082 1 9 . 1 1 82 82 TRP CB C 82 33.630 33.630 32.533 1.097 19727 5083 1 9 . 1 1 82 82 TRP H H 82 9.126 9.126 8.006 1.120 19727 5084 1 9 . 1 1 83 83 SER N N 83 115.180 115.180 119.322 -4.142 19727 5085 1 9 . 1 1 83 83 SER HA H 83 5.490 5.490 4.530 0.960 19727 5086 1 9 . 1 1 83 83 SER CA C 83 57.080 57.080 56.367 0.714 19727 5087 1 9 . 1 1 83 83 SER CB C 83 65.680 65.680 65.714 -0.034 19727 5088 1 9 . 1 1 83 83 SER H H 83 9.045 9.045 8.577 0.468 19727 5089 1 9 . 1 1 84 84 LEU N N 84 125.420 125.420 124.660 0.760 19727 5090 1 9 . 1 1 84 84 LEU HA H 84 5.200 5.200 4.390 0.810 19727 5091 1 9 . 1 1 84 84 LEU CA C 84 54.600 54.600 54.203 0.397 19727 5092 1 9 . 1 1 84 84 LEU CB C 84 45.130 45.130 44.556 0.574 19727 5093 1 9 . 1 1 84 84 LEU H H 84 8.889 8.889 8.319 0.570 19727 5094 1 9 . 1 1 85 85 GLU N N 85 127.397 127.397 125.394 2.003 19727 5095 1 9 . 1 1 85 85 GLU HA H 85 4.610 4.610 4.516 0.094 19727 5096 1 9 . 1 1 85 85 GLU CA C 85 55.310 55.310 55.486 -0.176 19727 5097 1 9 . 1 1 85 85 GLU CB C 85 31.470 31.470 30.824 0.646 19727 5098 1 9 . 1 1 85 85 GLU H H 85 8.964 8.964 8.904 0.060 19727 5099 1 9 . 1 1 86 86 GLY N N 86 117.395 117.395 117.058 0.337 19727 5100 1 9 . 1 1 86 86 GLY CA C 86 47.580 47.580 47.058 0.522 19727 5101 1 9 . 1 1 86 86 GLY H H 86 9.039 9.039 8.785 0.254 19727 5102 1 9 . 1 1 87 87 ASN N N 87 122.457 122.457 123.082 -0.625 19727 5103 1 9 . 1 1 87 87 ASN HA H 87 4.820 4.820 4.811 0.009 19727 5104 1 9 . 1 1 87 87 ASN CA C 87 53.170 53.170 52.938 0.232 19727 5105 1 9 . 1 1 87 87 ASN CB C 87 38.800 38.800 39.412 -0.612 19727 5106 1 9 . 1 1 87 87 ASN H H 87 8.765 8.765 8.760 0.005 19727 5107 1 9 . 1 1 88 88 LYS N N 88 117.971 117.971 118.428 -0.457 19727 5108 1 9 . 1 1 88 88 LYS HA H 88 4.960 4.960 5.054 -0.094 19727 5109 1 9 . 1 1 88 88 LYS CA C 88 56.000 56.000 55.312 0.688 19727 5110 1 9 . 1 1 88 88 LYS CB C 88 35.580 35.580 36.995 -1.415 19727 5111 1 9 . 1 1 88 88 LYS H H 88 7.986 7.986 7.630 0.356 19727 5112 1 9 . 1 1 89 89 LEU N N 89 122.876 122.876 118.982 3.894 19727 5113 1 9 . 1 1 89 89 LEU HA H 89 5.010 5.010 4.714 0.296 19727 5114 1 9 . 1 1 89 89 LEU CA C 89 53.450 53.450 54.023 -0.573 19727 5115 1 9 . 1 1 89 89 LEU CB C 89 43.856 43.856 43.574 0.282 19727 5116 1 9 . 1 1 89 89 LEU H H 89 8.622 8.622 8.108 0.514 19727 5117 1 9 . 1 1 90 90 ILE N N 90 124.780 124.780 121.927 2.853 19727 5118 1 9 . 1 1 90 90 ILE HA H 90 4.600 4.600 4.759 -0.159 19727 5119 1 9 . 1 1 90 90 ILE CA C 90 60.250 60.250 57.851 2.399 19727 5120 1 9 . 1 1 90 90 ILE CB C 90 38.760 38.760 38.087 0.673 19727 5121 1 9 . 1 1 90 90 ILE H H 90 9.589 9.589 8.758 0.831 19727 5122 1 9 . 1 1 91 91 GLY N N 91 121.700 121.700 112.422 9.278 19727 5123 1 9 . 1 1 91 91 GLY CA C 91 44.680 44.680 43.925 0.755 19727 5124 1 9 . 1 1 91 91 GLY H H 91 9.620 9.620 9.047 0.573 19727 5125 1 9 . 1 1 92 92 LYS N N 92 127.600 127.600 117.800 9.800 19727 5126 1 9 . 1 1 92 92 LYS HA H 92 4.710 4.710 5.074 -0.364 19727 5127 1 9 . 1 1 92 92 LYS CA C 92 55.450 55.450 54.244 1.206 19727 5128 1 9 . 1 1 92 92 LYS CB C 92 33.530 33.530 36.129 -2.599 19727 5129 1 9 . 1 1 92 92 LYS H H 92 7.730 7.730 8.287 -0.557 19727 5130 1 9 . 1 1 93 93 PHE N N 93 122.003 122.003 120.363 1.640 19727 5131 1 9 . 1 1 93 93 PHE HA H 93 5.200 5.200 5.041 0.159 19727 5132 1 9 . 1 1 93 93 PHE CA C 93 55.960 55.960 56.577 -0.617 19727 5133 1 9 . 1 1 93 93 PHE CB C 93 44.350 44.350 44.275 0.075 19727 5134 1 9 . 1 1 93 93 PHE H H 93 8.443 8.443 8.988 -0.545 19727 5135 1 9 . 1 1 94 94 LYS N N 94 119.319 119.319 119.079 0.240 19727 5136 1 9 . 1 1 94 94 LYS HA H 94 5.050 5.050 5.534 -0.484 19727 5137 1 9 . 1 1 94 94 LYS CA C 94 55.150 55.150 55.035 0.116 19727 5138 1 9 . 1 1 94 94 LYS CB C 94 36.180 36.180 35.642 0.538 19727 5139 1 9 . 1 1 94 94 LYS H H 94 8.803 8.803 8.668 0.135 19727 5140 1 9 . 1 1 95 95 ARG N N 95 122.142 122.142 126.427 -4.285 19727 5141 1 9 . 1 1 95 95 ARG HA H 95 4.760 4.760 5.075 -0.315 19727 5142 1 9 . 1 1 95 95 ARG CA C 95 56.030 56.030 56.309 -0.279 19727 5143 1 9 . 1 1 95 95 ARG CB C 95 31.720 31.720 31.270 0.450 19727 5144 1 9 . 1 1 95 95 ARG H H 95 8.738 8.738 8.506 0.232 19727 5145 1 9 . 1 1 96 96 THR N N 96 117.210 117.210 116.932 0.278 19727 5146 1 9 . 1 1 96 96 THR HA H 96 4.060 4.060 4.180 -0.120 19727 5147 1 9 . 1 1 96 96 THR CA C 96 64.140 64.140 64.447 -0.307 19727 5148 1 9 . 1 1 96 96 THR CB C 96 68.570 68.570 68.594 -0.024 19727 5149 1 9 . 1 1 96 96 THR H H 96 8.520 8.520 8.795 -0.275 19727 5150 1 9 . 1 1 97 97 ASP N N 97 120.647 120.647 120.138 0.509 19727 5151 1 9 . 1 1 97 97 ASP HA H 97 4.330 4.330 4.434 -0.104 19727 5152 1 9 . 1 1 97 97 ASP CA C 97 56.200 56.200 56.139 0.061 19727 5153 1 9 . 1 1 97 97 ASP CB C 97 38.860 38.860 41.125 -2.265 19727 5154 1 9 . 1 1 97 97 ASP H H 97 8.932 8.932 8.549 0.383 19727 5155 1 9 . 1 1 98 98 ASN N N 98 116.362 116.362 115.526 0.836 19727 5156 1 9 . 1 1 98 98 ASN HA H 98 4.750 4.750 4.714 0.036 19727 5157 1 9 . 1 1 98 98 ASN CA C 98 51.640 51.640 53.371 -1.731 19727 5158 1 9 . 1 1 98 98 ASN CB C 98 39.340 39.340 39.275 0.065 19727 5159 1 9 . 1 1 98 98 ASN H H 98 8.614 8.614 7.627 0.987 19727 5160 1 9 . 1 1 99 99 GLY N N 99 107.794 107.794 109.283 -1.489 19727 5161 1 9 . 1 1 99 99 GLY CA C 99 46.300 46.300 46.228 0.072 19727 5162 1 9 . 1 1 99 99 GLY H H 99 7.811 7.811 8.314 -0.503 19727 5163 1 9 . 1 1 100 100 ASN N N 100 118.972 118.972 119.496 -0.524 19727 5164 1 9 . 1 1 100 100 ASN HA H 100 4.690 4.690 4.690 -0.000 19727 5165 1 9 . 1 1 100 100 ASN CA C 100 53.210 53.210 53.170 0.040 19727 5166 1 9 . 1 1 100 100 ASN CB C 100 38.970 38.970 40.071 -1.101 19727 5167 1 9 . 1 1 100 100 ASN H H 100 8.416 8.416 7.991 0.425 19727 5168 1 9 . 1 1 101 101 GLU N N 101 119.642 119.642 121.810 -2.168 19727 5169 1 9 . 1 1 101 101 GLU HA H 101 4.790 4.790 4.313 0.477 19727 5170 1 9 . 1 1 101 101 GLU CA C 101 57.020 57.020 57.520 -0.500 19727 5171 1 9 . 1 1 101 101 GLU CB C 101 31.970 31.970 30.623 1.347 19727 5172 1 9 . 1 1 101 101 GLU H H 101 8.730 8.730 8.460 0.270 19727 5173 1 9 . 1 1 102 102 LEU N N 102 125.033 125.033 126.132 -1.099 19727 5174 1 9 . 1 1 102 102 LEU HA H 102 5.200 5.200 5.472 -0.272 19727 5175 1 9 . 1 1 102 102 LEU CA C 102 55.260 55.260 54.286 0.974 19727 5176 1 9 . 1 1 102 102 LEU CB C 102 45.870 45.870 46.164 -0.294 19727 5177 1 9 . 1 1 102 102 LEU H H 102 8.908 8.908 8.182 0.726 19727 5178 1 9 . 1 1 103 103 ASN N N 103 123.919 123.919 126.137 -2.218 19727 5179 1 9 . 1 1 103 103 ASN HA H 103 5.670 5.670 5.198 0.472 19727 5180 1 9 . 1 1 103 103 ASN CA C 103 52.150 52.150 52.556 -0.406 19727 5181 1 9 . 1 1 103 103 ASN CB C 103 41.970 41.970 41.517 0.453 19727 5182 1 9 . 1 1 103 103 ASN H H 103 8.452 8.452 9.632 -1.180 19727 5183 1 9 . 1 1 104 104 THR N N 104 117.100 117.100 113.320 3.780 19727 5184 1 9 . 1 1 104 104 THR HA H 104 5.530 5.530 4.739 0.791 19727 5185 1 9 . 1 1 104 104 THR CA C 104 58.550 58.550 61.214 -2.664 19727 5186 1 9 . 1 1 104 104 THR CB C 104 70.450 70.450 70.640 -0.190 19727 5187 1 9 . 1 1 104 104 THR H H 104 9.050 9.050 8.866 0.184 19727 5188 1 9 . 1 1 105 105 VAL HA H 105 5.290 5.290 4.269 1.021 19727 5189 1 9 . 1 1 105 105 VAL CA C 105 61.070 61.070 60.999 0.071 19727 5190 1 9 . 1 1 105 105 VAL CB C 105 36.290 36.290 33.942 2.348 19727 5191 1 9 . 1 1 106 106 ARG N N 106 124.249 124.249 127.091 -2.842 19727 5192 1 9 . 1 1 106 106 ARG CA C 106 54.890 54.890 54.859 0.031 19727 5193 1 9 . 1 1 106 106 ARG CB C 106 33.890 33.890 31.348 2.542 19727 5194 1 9 . 1 1 106 106 ARG H H 106 9.466 9.466 8.138 1.328 19727 5195 1 9 . 1 1 107 107 GLU N N 107 120.784 120.784 124.847 -4.063 19727 5196 1 9 . 1 1 107 107 GLU HA H 107 4.960 4.960 4.741 0.219 19727 5197 1 9 . 1 1 107 107 GLU CA C 107 54.810 54.810 54.485 0.325 19727 5198 1 9 . 1 1 107 107 GLU CB C 107 33.800 33.800 33.102 0.698 19727 5199 1 9 . 1 1 107 107 GLU H H 107 8.605 8.605 8.088 0.517 19727 5200 1 9 . 1 1 108 108 ILE N N 108 124.182 124.182 123.573 0.609 19727 5201 1 9 . 1 1 108 108 ILE HA H 108 4.780 4.780 4.314 0.466 19727 5202 1 9 . 1 1 108 108 ILE CA C 108 59.050 59.050 59.989 -0.939 19727 5203 1 9 . 1 1 108 108 ILE CB C 108 36.670 36.670 36.419 0.251 19727 5204 1 9 . 1 1 108 108 ILE H H 108 8.732 8.732 8.831 -0.099 19727 5205 1 9 . 1 1 109 109 ILE N N 109 129.631 129.631 131.135 -1.504 19727 5206 1 9 . 1 1 109 109 ILE HA H 109 4.250 4.250 4.061 0.189 19727 5207 1 9 . 1 1 109 109 ILE CA C 109 61.100 61.100 58.648 2.452 19727 5208 1 9 . 1 1 109 109 ILE CB C 109 39.290 39.290 36.077 3.213 19727 5209 1 9 . 1 1 109 109 ILE H H 109 8.903 8.903 8.182 0.721 19727 5210 1 9 . 1 1 110 110 GLY N N 110 119.473 119.473 115.909 3.564 19727 5211 1 9 . 1 1 110 110 GLY CA C 110 47.690 47.690 45.768 1.922 19727 5212 1 9 . 1 1 110 110 GLY H H 110 9.123 9.123 7.925 1.198 19727 5213 1 9 . 1 1 111 111 ASP N N 111 123.998 123.998 126.317 -2.319 19727 5214 1 9 . 1 1 111 111 ASP HA H 111 4.750 4.750 4.606 0.144 19727 5215 1 9 . 1 1 111 111 ASP CA C 111 54.100 54.100 54.820 -0.720 19727 5216 1 9 . 1 1 111 111 ASP CB C 111 41.490 41.490 41.107 0.383 19727 5217 1 9 . 1 1 111 111 ASP H H 111 8.699 8.699 8.652 0.047 19727 5218 1 9 . 1 1 112 112 GLU N N 112 118.194 118.194 116.140 2.054 19727 5219 1 9 . 1 1 112 112 GLU HA H 112 5.150 5.150 4.568 0.582 19727 5220 1 9 . 1 1 112 112 GLU CA C 112 55.560 55.560 54.495 1.065 19727 5221 1 9 . 1 1 112 112 GLU CB C 112 33.200 33.200 33.268 -0.068 19727 5222 1 9 . 1 1 112 112 GLU H H 112 7.924 7.924 7.452 0.472 19727 5223 1 9 . 1 1 113 113 LEU N N 113 123.501 123.501 121.421 2.080 19727 5224 1 9 . 1 1 113 113 LEU HA H 113 4.400 4.400 5.033 -0.633 19727 5225 1 9 . 1 1 113 113 LEU CA C 113 54.140 54.140 53.981 0.159 19727 5226 1 9 . 1 1 113 113 LEU CB C 113 42.180 42.180 45.710 -3.530 19727 5227 1 9 . 1 1 113 113 LEU H H 113 7.851 7.851 8.380 -0.529 19727 5228 1 9 . 1 1 114 114 VAL N N 114 127.898 127.898 125.800 2.098 19727 5229 1 9 . 1 1 114 114 VAL HA H 114 4.520 4.520 4.649 -0.129 19727 5230 1 9 . 1 1 114 114 VAL CA C 114 62.290 62.290 60.574 1.716 19727 5231 1 9 . 1 1 114 114 VAL CB C 114 33.430 33.430 32.813 0.617 19727 5232 1 9 . 1 1 114 114 VAL H H 114 9.357 9.357 8.659 0.698 19727 5233 1 9 . 1 1 115 115 GLN N N 115 130.218 130.218 129.486 0.732 19727 5234 1 9 . 1 1 115 115 GLN HA H 115 5.710 5.710 5.067 0.643 19727 5235 1 9 . 1 1 115 115 GLN CA C 115 53.930 53.930 53.807 0.123 19727 5236 1 9 . 1 1 115 115 GLN CB C 115 30.060 30.060 31.928 -1.868 19727 5237 1 9 . 1 1 115 115 GLN H H 115 9.552 9.552 9.319 0.233 19727 5238 1 9 . 1 1 116 116 THR N N 116 121.078 121.078 120.549 0.529 19727 5239 1 9 . 1 1 116 116 THR HA H 116 5.080 5.080 4.982 0.098 19727 5240 1 9 . 1 1 116 116 THR CA C 116 61.800 61.800 61.144 0.656 19727 5241 1 9 . 1 1 116 116 THR CB C 116 70.470 70.470 69.366 1.104 19727 5242 1 9 . 1 1 116 116 THR H H 116 8.832 8.832 8.051 0.781 19727 5243 1 9 . 1 1 117 117 TYR N N 117 125.712 125.712 125.604 0.108 19727 5244 1 9 . 1 1 117 117 TYR HA H 117 4.950 4.950 5.567 -0.617 19727 5245 1 9 . 1 1 117 117 TYR CA C 117 56.430 56.430 55.951 0.479 19727 5246 1 9 . 1 1 117 117 TYR CB C 117 42.110 42.110 41.633 0.477 19727 5247 1 9 . 1 1 117 117 TYR H H 117 9.440 9.440 9.582 -0.142 19727 5248 1 9 . 1 1 118 118 VAL N N 118 120.314 120.314 119.446 0.868 19727 5249 1 9 . 1 1 118 118 VAL HA H 118 5.350 5.350 5.097 0.253 19727 5250 1 9 . 1 1 118 118 VAL CA C 118 62.170 62.170 61.118 1.052 19727 5251 1 9 . 1 1 118 118 VAL CB C 118 34.810 34.810 35.610 -0.800 19727 5252 1 9 . 1 1 118 118 VAL H H 118 9.026 9.026 9.404 -0.378 19727 5253 1 9 . 1 1 119 119 TYR N N 119 127.564 127.564 127.733 -0.169 19727 5254 1 9 . 1 1 119 119 TYR HA H 119 4.940 4.940 5.312 -0.372 19727 5255 1 9 . 1 1 119 119 TYR CA C 119 58.170 58.170 57.046 1.124 19727 5256 1 9 . 1 1 119 119 TYR CB C 119 43.490 43.490 40.814 2.676 19727 5257 1 9 . 1 1 119 119 TYR H H 119 9.041 9.041 9.268 -0.227 19727 5258 1 9 . 1 1 120 120 GLU N N 120 125.533 125.533 128.762 -3.229 19727 5259 1 9 . 1 1 120 120 GLU HA H 120 3.430 3.430 3.745 -0.315 19727 5260 1 9 . 1 1 120 120 GLU CA C 120 56.140 56.140 57.408 -1.268 19727 5261 1 9 . 1 1 120 120 GLU CB C 120 28.400 28.400 27.810 0.590 19727 5262 1 9 . 1 1 120 120 GLU H H 120 9.509 9.509 8.613 0.896 19727 5263 1 9 . 1 1 121 121 GLY N N 121 102.076 102.076 107.367 -5.291 19727 5264 1 9 . 1 1 121 121 GLY CA C 121 45.480 45.480 45.718 -0.238 19727 5265 1 9 . 1 1 121 121 GLY H H 121 8.374 8.374 8.418 -0.044 19727 5266 1 9 . 1 1 122 122 VAL N N 122 123.797 123.797 121.169 2.628 19727 5267 1 9 . 1 1 122 122 VAL HA H 122 4.190 4.190 4.317 -0.127 19727 5268 1 9 . 1 1 122 122 VAL CA C 122 62.660 62.660 61.496 1.164 19727 5269 1 9 . 1 1 122 122 VAL CB C 122 32.980 32.980 33.906 -0.926 19727 5270 1 9 . 1 1 122 122 VAL H H 122 8.371 8.371 7.633 0.738 19727 5271 1 9 . 1 1 123 123 GLU N N 123 126.257 126.257 126.372 -0.115 19727 5272 1 9 . 1 1 123 123 GLU HA H 123 5.670 5.670 5.385 0.285 19727 5273 1 9 . 1 1 123 123 GLU CA C 123 54.010 54.010 56.030 -2.020 19727 5274 1 9 . 1 1 123 123 GLU CB C 123 32.850 32.850 33.030 -0.180 19727 5275 1 9 . 1 1 123 123 GLU H H 123 8.511 8.511 8.952 -0.441 19727 5276 1 9 . 1 1 124 124 ALA N N 124 126.354 126.354 128.648 -2.294 19727 5277 1 9 . 1 1 124 124 ALA HA H 124 5.150 5.150 4.945 0.205 19727 5278 1 9 . 1 1 124 124 ALA CA C 124 50.860 50.860 50.696 0.164 19727 5279 1 9 . 1 1 124 124 ALA CB C 124 24.060 24.060 22.322 1.738 19727 5280 1 9 . 1 1 124 124 ALA H H 124 9.258 9.258 9.072 0.186 19727 5281 1 9 . 1 1 125 125 LYS N N 125 115.989 115.989 121.758 -5.769 19727 5282 1 9 . 1 1 125 125 LYS HA H 125 5.760 5.760 5.523 0.237 19727 5283 1 9 . 1 1 125 125 LYS CA C 125 55.130 55.130 54.431 0.699 19727 5284 1 9 . 1 1 125 125 LYS CB C 125 38.130 38.130 36.663 1.467 19727 5285 1 9 . 1 1 125 125 LYS H H 125 8.847 8.847 8.723 0.124 19727 5286 1 9 . 1 1 126 126 ARG N N 126 120.557 120.557 121.406 -0.849 19727 5287 1 9 . 1 1 126 126 ARG HA H 126 4.750 4.750 4.812 -0.062 19727 5288 1 9 . 1 1 126 126 ARG CA C 126 56.940 56.940 55.633 1.307 19727 5289 1 9 . 1 1 126 126 ARG CB C 126 34.040 34.040 33.663 0.377 19727 5290 1 9 . 1 1 126 126 ARG H H 126 9.241 9.241 9.126 0.115 19727 5291 1 9 . 1 1 127 127 ILE N N 127 122.970 122.970 126.191 -3.221 19727 5292 1 9 . 1 1 127 127 ILE HA H 127 5.020 5.020 4.856 0.164 19727 5293 1 9 . 1 1 127 127 ILE CA C 127 61.670 61.670 59.725 1.945 19727 5294 1 9 . 1 1 127 127 ILE CB C 127 40.200 40.200 37.990 2.210 19727 5295 1 9 . 1 1 127 127 ILE H H 127 8.785 8.785 8.425 0.360 19727 5296 1 9 . 1 1 128 128 PHE N N 128 126.381 126.381 126.339 0.042 19727 5297 1 9 . 1 1 128 128 PHE HA H 128 5.260 5.260 4.827 0.433 19727 5298 1 9 . 1 1 128 128 PHE CA C 128 56.050 56.050 56.326 -0.276 19727 5299 1 9 . 1 1 128 128 PHE CB C 128 42.730 42.730 43.336 -0.606 19727 5300 1 9 . 1 1 128 128 PHE H H 128 10.070 10.070 8.443 1.627 19727 5301 1 9 . 1 1 129 129 LYS N N 129 118.294 118.294 122.169 -3.875 19727 5302 1 9 . 1 1 129 129 LYS HA H 129 5.310 5.310 4.210 1.100 19727 5303 1 9 . 1 1 129 129 LYS CA C 129 54.740 54.740 53.636 1.104 19727 5304 1 9 . 1 1 129 129 LYS CB C 129 37.070 37.070 37.326 -0.256 19727 5305 1 9 . 1 1 129 129 LYS H H 129 8.866 8.866 7.516 1.350 19727 5306 1 9 . 1 1 130 130 LYS N N 130 123.147 123.147 118.981 4.166 19727 5307 1 9 . 1 1 130 130 LYS HA H 130 4.090 4.090 4.290 -0.200 19727 5308 1 9 . 1 1 130 130 LYS CA C 130 57.790 57.790 54.305 3.485 19727 5309 1 9 . 1 1 130 130 LYS CB C 130 33.020 33.020 33.963 -0.943 19727 5310 1 9 . 1 1 130 130 LYS H H 130 9.057 9.057 8.089 0.968 19727 5311 1 10 . 1 1 2 2 PHE N N 2 113.067 113.067 119.583 -6.516 19727 5312 1 10 . 1 1 2 2 PHE HA H 2 4.440 4.440 4.907 -0.467 19727 5313 1 10 . 1 1 2 2 PHE CA C 2 59.610 59.610 57.420 2.190 19727 5314 1 10 . 1 1 2 2 PHE CB C 2 39.760 39.760 39.529 0.231 19727 5315 1 10 . 1 1 2 2 PHE H H 2 8.270 8.270 8.269 0.001 19727 5316 1 10 . 1 1 3 3 ASP N N 3 118.589 118.589 120.914 -2.325 19727 5317 1 10 . 1 1 3 3 ASP HA H 3 4.890 4.890 4.484 0.406 19727 5318 1 10 . 1 1 3 3 ASP CA C 3 55.030 55.030 55.843 -0.813 19727 5319 1 10 . 1 1 3 3 ASP CB C 3 39.460 39.460 40.193 -0.733 19727 5320 1 10 . 1 1 3 3 ASP H H 3 7.554 7.554 8.262 -0.708 19727 5321 1 10 . 1 1 4 4 SER N N 4 120.654 120.654 118.828 1.826 19727 5322 1 10 . 1 1 4 4 SER HA H 4 4.250 4.250 4.692 -0.442 19727 5323 1 10 . 1 1 4 4 SER CA C 4 59.530 59.530 58.252 1.278 19727 5324 1 10 . 1 1 4 4 SER CB C 4 65.300 65.300 65.714 -0.414 19727 5325 1 10 . 1 1 4 4 SER H H 4 8.250 8.250 8.592 -0.342 19727 5326 1 10 . 1 1 5 5 THR N N 5 115.812 115.812 119.030 -3.218 19727 5327 1 10 . 1 1 5 5 THR HA H 5 5.160 5.160 4.619 0.541 19727 5328 1 10 . 1 1 5 5 THR CA C 5 63.480 63.480 63.874 -0.395 19727 5329 1 10 . 1 1 5 5 THR CB C 5 69.630 69.630 69.444 0.186 19727 5330 1 10 . 1 1 5 5 THR H H 5 8.041 8.041 8.525 -0.484 19727 5331 1 10 . 1 1 6 6 TRP N N 6 128.256 128.256 127.732 0.524 19727 5332 1 10 . 1 1 6 6 TRP HA H 6 5.240 5.240 5.368 -0.128 19727 5333 1 10 . 1 1 6 6 TRP CA C 6 55.770 55.770 55.152 0.618 19727 5334 1 10 . 1 1 6 6 TRP CB C 6 32.800 32.800 31.236 1.564 19727 5335 1 10 . 1 1 6 6 TRP H H 6 9.514 9.514 9.225 0.289 19727 5336 1 10 . 1 1 7 7 LYS N N 7 122.895 122.895 122.730 0.165 19727 5337 1 10 . 1 1 7 7 LYS HA H 7 5.490 5.490 5.022 0.468 19727 5338 1 10 . 1 1 7 7 LYS CA C 7 54.680 54.680 54.745 -0.065 19727 5339 1 10 . 1 1 7 7 LYS CB C 7 35.840 35.840 35.245 0.595 19727 5340 1 10 . 1 1 7 7 LYS H H 7 9.954 9.954 8.725 1.229 19727 5341 1 10 . 1 1 8 8 VAL N N 8 128.078 128.078 125.404 2.674 19727 5342 1 10 . 1 1 8 8 VAL HA H 8 3.280 3.280 4.100 -0.820 19727 5343 1 10 . 1 1 8 8 VAL CA C 8 64.810 64.810 63.947 0.862 19727 5344 1 10 . 1 1 8 8 VAL CB C 8 31.790 31.790 32.953 -1.163 19727 5345 1 10 . 1 1 8 8 VAL H H 8 8.780 8.780 8.027 0.753 19727 5346 1 10 . 1 1 9 9 ASP N N 9 127.565 127.565 128.698 -1.133 19727 5347 1 10 . 1 1 9 9 ASP HA H 9 4.930 4.930 4.664 0.266 19727 5348 1 10 . 1 1 9 9 ASP CA C 9 55.750 55.750 56.039 -0.289 19727 5349 1 10 . 1 1 9 9 ASP CB C 9 46.830 46.830 42.652 4.178 19727 5350 1 10 . 1 1 9 9 ASP H H 9 9.712 9.712 8.330 1.382 19727 5351 1 10 . 1 1 10 10 ARG N N 10 112.578 112.578 117.710 -5.132 19727 5352 1 10 . 1 1 10 10 ARG HA H 10 4.740 4.740 4.671 0.069 19727 5353 1 10 . 1 1 10 10 ARG CA C 10 55.200 55.200 54.972 0.228 19727 5354 1 10 . 1 1 10 10 ARG CB C 10 31.470 31.470 32.601 -1.131 19727 5355 1 10 . 1 1 10 10 ARG H H 10 7.823 7.823 7.621 0.202 19727 5356 1 10 . 1 1 11 11 SER N N 11 113.123 113.123 115.531 -2.408 19727 5357 1 10 . 1 1 11 11 SER HA H 11 5.270 5.270 4.776 0.494 19727 5358 1 10 . 1 1 11 11 SER CA C 11 57.490 57.490 56.885 0.605 19727 5359 1 10 . 1 1 11 11 SER CB C 11 66.620 66.620 66.188 0.432 19727 5360 1 10 . 1 1 11 11 SER H H 11 8.602 8.602 8.290 0.312 19727 5361 1 10 . 1 1 12 12 GLU N N 12 121.867 121.867 121.936 -0.069 19727 5362 1 10 . 1 1 12 12 GLU HA H 12 4.760 4.760 4.656 0.104 19727 5363 1 10 . 1 1 12 12 GLU CA C 12 55.420 55.420 55.118 0.302 19727 5364 1 10 . 1 1 12 12 GLU CB C 12 33.060 33.060 32.278 0.783 19727 5365 1 10 . 1 1 12 12 GLU H H 12 9.447 9.447 8.618 0.829 19727 5366 1 10 . 1 1 13 13 ASN N N 13 121.822 121.822 119.016 2.806 19727 5367 1 10 . 1 1 13 13 ASN HA H 13 4.720 4.720 4.313 0.407 19727 5368 1 10 . 1 1 13 13 ASN CA C 13 54.200 54.200 54.911 -0.711 19727 5369 1 10 . 1 1 13 13 ASN CB C 13 39.870 39.870 37.955 1.915 19727 5370 1 10 . 1 1 13 13 ASN H H 13 9.350 9.350 9.078 0.272 19727 5371 1 10 . 1 1 14 14 TYR N N 14 120.082 120.082 119.215 0.867 19727 5372 1 10 . 1 1 14 14 TYR HA H 14 4.290 4.290 3.909 0.381 19727 5373 1 10 . 1 1 14 14 TYR CA C 14 60.700 60.700 61.277 -0.577 19727 5374 1 10 . 1 1 14 14 TYR CB C 14 39.620 39.620 37.874 1.746 19727 5375 1 10 . 1 1 14 14 TYR H H 14 8.357 8.357 8.510 -0.153 19727 5376 1 10 . 1 1 15 15 ASP N N 15 118.245 118.245 117.652 0.593 19727 5377 1 10 . 1 1 15 15 ASP HA H 15 4.060 4.060 4.418 -0.358 19727 5378 1 10 . 1 1 15 15 ASP CA C 15 58.620 58.620 57.768 0.852 19727 5379 1 10 . 1 1 15 15 ASP CB C 15 41.140 41.140 39.971 1.169 19727 5380 1 10 . 1 1 15 15 ASP H H 15 8.562 8.562 8.770 -0.208 19727 5381 1 10 . 1 1 16 16 LYS N N 16 118.806 118.806 120.115 -1.309 19727 5382 1 10 . 1 1 16 16 LYS HA H 16 4.050 4.050 4.152 -0.102 19727 5383 1 10 . 1 1 16 16 LYS CA C 16 58.610 58.610 59.585 -0.975 19727 5384 1 10 . 1 1 16 16 LYS CB C 16 31.550 31.550 32.477 -0.927 19727 5385 1 10 . 1 1 16 16 LYS H H 16 7.801 7.801 7.523 0.278 19727 5386 1 10 . 1 1 17 17 PHE N N 17 120.733 120.733 116.841 3.892 19727 5387 1 10 . 1 1 17 17 PHE HA H 17 4.020 4.020 4.356 -0.336 19727 5388 1 10 . 1 1 17 17 PHE CA C 17 61.620 61.620 59.727 1.893 19727 5389 1 10 . 1 1 17 17 PHE CB C 17 40.250 40.250 38.203 2.047 19727 5390 1 10 . 1 1 17 17 PHE H H 17 7.543 7.543 8.229 -0.686 19727 5391 1 10 . 1 1 18 18 MET N N 18 117.590 117.590 117.967 -0.377 19727 5392 1 10 . 1 1 18 18 MET HA H 18 3.210 3.210 4.228 -1.018 19727 5393 1 10 . 1 1 18 18 MET CA C 18 59.860 59.860 58.670 1.190 19727 5394 1 10 . 1 1 18 18 MET CB C 18 34.110 34.110 32.076 2.034 19727 5395 1 10 . 1 1 18 18 MET H H 18 8.063 8.063 7.548 0.515 19727 5396 1 10 . 1 1 19 19 GLU N N 19 120.480 120.480 119.875 0.605 19727 5397 1 10 . 1 1 19 19 GLU HA H 19 3.830 3.830 4.231 -0.401 19727 5398 1 10 . 1 1 19 19 GLU CA C 19 60.040 60.040 58.232 1.808 19727 5399 1 10 . 1 1 19 19 GLU CB C 19 29.790 29.790 29.230 0.560 19727 5400 1 10 . 1 1 19 19 GLU H H 19 8.430 8.430 7.784 0.646 19727 5401 1 10 . 1 1 20 20 LYS N N 20 122.631 122.631 118.699 3.932 19727 5402 1 10 . 1 1 20 20 LYS HA H 20 4.070 4.070 4.130 -0.060 19727 5403 1 10 . 1 1 20 20 LYS CA C 20 57.400 57.400 58.423 -1.024 19727 5404 1 10 . 1 1 20 20 LYS CB C 20 31.940 31.940 32.689 -0.749 19727 5405 1 10 . 1 1 20 20 LYS H H 20 8.080 8.080 8.007 0.073 19727 5406 1 10 . 1 1 21 21 MET N N 21 114.794 114.794 115.381 -0.587 19727 5407 1 10 . 1 1 21 21 MET HA H 21 3.810 3.810 4.330 -0.520 19727 5408 1 10 . 1 1 21 21 MET CA C 21 56.310 56.310 56.236 0.074 19727 5409 1 10 . 1 1 21 21 MET CB C 21 32.729 32.729 34.015 -1.286 19727 5410 1 10 . 1 1 21 21 MET H H 21 7.554 7.554 7.574 -0.020 19727 5411 1 10 . 1 1 22 22 GLY N N 22 107.423 107.423 108.061 -0.638 19727 5412 1 10 . 1 1 22 22 GLY CA C 22 45.310 45.310 44.942 0.368 19727 5413 1 10 . 1 1 22 22 GLY H H 22 7.718 7.718 7.678 0.040 19727 5414 1 10 . 1 1 23 23 VAL N N 23 121.380 121.380 120.852 0.528 19727 5415 1 10 . 1 1 23 23 VAL HA H 23 3.770 3.770 4.002 -0.232 19727 5416 1 10 . 1 1 23 23 VAL CA C 23 62.650 62.650 61.358 1.292 19727 5417 1 10 . 1 1 23 23 VAL CB C 23 32.060 32.060 31.393 0.667 19727 5418 1 10 . 1 1 23 23 VAL H H 23 7.491 7.491 8.072 -0.581 19727 5419 1 10 . 1 1 24 24 ASN N N 24 127.861 127.861 125.478 2.383 19727 5420 1 10 . 1 1 24 24 ASN HA H 24 4.430 4.430 4.569 -0.139 19727 5421 1 10 . 1 1 24 24 ASN CA C 24 54.090 54.090 54.092 -0.002 19727 5422 1 10 . 1 1 24 24 ASN CB C 24 39.330 39.330 39.832 -0.502 19727 5423 1 10 . 1 1 24 24 ASN H H 24 8.780 8.780 8.761 0.019 19727 5424 1 10 . 1 1 25 25 ILE N N 25 121.002 121.002 119.834 1.168 19727 5425 1 10 . 1 1 25 25 ILE HA H 25 3.660 3.660 4.027 -0.367 19727 5426 1 10 . 1 1 25 25 ILE CA C 25 65.350 65.350 62.878 2.472 19727 5427 1 10 . 1 1 25 25 ILE CB C 25 38.910 38.910 38.397 0.513 19727 5428 1 10 . 1 1 25 25 ILE H H 25 8.494 8.494 8.501 -0.007 19727 5429 1 10 . 1 1 26 26 VAL N N 26 121.014 121.014 120.191 0.823 19727 5430 1 10 . 1 1 26 26 VAL HA H 26 3.680 3.680 3.526 0.154 19727 5431 1 10 . 1 1 26 26 VAL CA C 26 66.080 66.080 66.616 -0.536 19727 5432 1 10 . 1 1 26 26 VAL CB C 26 31.930 31.930 31.428 0.502 19727 5433 1 10 . 1 1 26 26 VAL H H 26 7.569 7.569 7.838 -0.269 19727 5434 1 10 . 1 1 27 27 LYS N N 27 118.674 118.674 116.873 1.801 19727 5435 1 10 . 1 1 27 27 LYS HA H 27 4.140 4.140 4.241 -0.101 19727 5436 1 10 . 1 1 27 27 LYS CA C 27 58.240 58.240 57.880 0.360 19727 5437 1 10 . 1 1 27 27 LYS CB C 27 32.610 32.610 31.993 0.617 19727 5438 1 10 . 1 1 27 27 LYS H H 27 7.729 7.729 8.021 -0.292 19727 5439 1 10 . 1 1 28 28 ARG N N 28 119.667 119.667 119.905 -0.238 19727 5440 1 10 . 1 1 28 28 ARG HA H 28 3.740 3.740 4.027 -0.287 19727 5441 1 10 . 1 1 28 28 ARG CA C 28 60.040 60.040 57.989 2.051 19727 5442 1 10 . 1 1 28 28 ARG CB C 28 30.760 30.760 29.667 1.093 19727 5443 1 10 . 1 1 28 28 ARG H H 28 8.418 8.418 7.621 0.797 19727 5444 1 10 . 1 1 29 29 LYS N N 29 118.502 118.502 118.512 -0.010 19727 5445 1 10 . 1 1 29 29 LYS HA H 29 4.040 4.040 3.851 0.189 19727 5446 1 10 . 1 1 29 29 LYS CA C 29 59.460 59.460 59.683 -0.223 19727 5447 1 10 . 1 1 29 29 LYS CB C 29 32.440 32.440 32.162 0.278 19727 5448 1 10 . 1 1 29 29 LYS H H 29 7.611 7.611 8.377 -0.766 19727 5449 1 10 . 1 1 30 30 LEU N N 30 119.200 119.200 116.283 2.917 19727 5450 1 10 . 1 1 30 30 LEU HA H 30 4.170 4.170 4.333 -0.163 19727 5451 1 10 . 1 1 30 30 LEU CA C 30 57.560 57.560 56.424 1.136 19727 5452 1 10 . 1 1 30 30 LEU CB C 30 42.320 42.320 42.256 0.064 19727 5453 1 10 . 1 1 30 30 LEU H H 30 7.292 7.292 7.296 -0.004 19727 5454 1 10 . 1 1 31 31 ALA N N 31 120.380 120.380 120.870 -0.490 19727 5455 1 10 . 1 1 31 31 ALA HA H 31 4.080 4.080 4.131 -0.051 19727 5456 1 10 . 1 1 31 31 ALA CA C 31 54.370 54.370 53.511 0.859 19727 5457 1 10 . 1 1 31 31 ALA CB C 31 19.300 19.300 18.347 0.953 19727 5458 1 10 . 1 1 31 31 ALA H H 31 8.257 8.257 7.510 0.747 19727 5459 1 10 . 1 1 32 32 ALA N N 32 117.152 117.152 119.673 -2.521 19727 5460 1 10 . 1 1 32 32 ALA HA H 32 4.130 4.130 3.304 0.826 19727 5461 1 10 . 1 1 32 32 ALA CA C 32 54.060 54.060 54.020 0.040 19727 5462 1 10 . 1 1 32 32 ALA CB C 32 18.710 18.710 19.016 -0.306 19727 5463 1 10 . 1 1 32 32 ALA H H 32 7.320 7.320 7.872 -0.552 19727 5464 1 10 . 1 1 33 33 HIS N N 33 115.869 115.869 109.067 6.802 19727 5465 1 10 . 1 1 33 33 HIS HA H 33 5.000 5.000 4.454 0.546 19727 5466 1 10 . 1 1 33 33 HIS CA C 33 54.200 54.200 56.353 -2.153 19727 5467 1 10 . 1 1 33 33 HIS CB C 33 28.310 28.310 28.920 -0.610 19727 5468 1 10 . 1 1 33 33 HIS H H 33 7.675 7.675 7.312 0.363 19727 5469 1 10 . 1 1 34 34 ASP N N 34 117.892 117.892 122.411 -4.519 19727 5470 1 10 . 1 1 34 34 ASP HA H 34 4.200 4.200 4.423 -0.223 19727 5471 1 10 . 1 1 34 34 ASP CA C 34 54.450 54.450 57.217 -2.767 19727 5472 1 10 . 1 1 34 34 ASP CB C 34 40.740 40.740 40.807 -0.067 19727 5473 1 10 . 1 1 34 34 ASP H H 34 7.430 7.430 8.078 -0.648 19727 5474 1 10 . 1 1 35 35 ASN N N 35 118.996 118.996 118.028 0.968 19727 5475 1 10 . 1 1 35 35 ASN HA H 35 4.310 4.310 4.814 -0.504 19727 5476 1 10 . 1 1 35 35 ASN CA C 35 53.650 53.650 52.547 1.103 19727 5477 1 10 . 1 1 35 35 ASN CB C 35 37.760 37.760 37.502 0.258 19727 5478 1 10 . 1 1 35 35 ASN H H 35 9.086 9.086 8.212 0.874 19727 5479 1 10 . 1 1 36 36 LEU N N 36 118.708 118.708 122.843 -4.135 19727 5480 1 10 . 1 1 36 36 LEU CA C 36 57.330 57.330 54.615 2.715 19727 5481 1 10 . 1 1 36 36 LEU CB C 36 42.810 42.810 45.285 -2.475 19727 5482 1 10 . 1 1 36 36 LEU H H 36 6.914 6.914 7.721 -0.806 19727 5483 1 10 . 1 1 37 37 LYS N N 37 126.148 126.148 127.261 -1.113 19727 5484 1 10 . 1 1 37 37 LYS HA H 37 5.650 5.650 4.947 0.703 19727 5485 1 10 . 1 1 37 37 LYS CA C 37 55.170 55.170 54.324 0.846 19727 5486 1 10 . 1 1 37 37 LYS CB C 37 36.200 36.200 34.366 1.834 19727 5487 1 10 . 1 1 37 37 LYS H H 37 9.246 9.246 8.559 0.687 19727 5488 1 10 . 1 1 38 38 LEU N N 38 122.300 122.300 127.904 -5.604 19727 5489 1 10 . 1 1 38 38 LEU HA H 38 5.550 5.550 4.764 0.786 19727 5490 1 10 . 1 1 38 38 LEU CA C 38 52.870 52.870 53.901 -1.032 19727 5491 1 10 . 1 1 38 38 LEU CB C 38 46.720 46.720 45.098 1.622 19727 5492 1 10 . 1 1 38 38 LEU H H 38 9.324 9.324 9.392 -0.068 19727 5493 1 10 . 1 1 39 39 THR N N 39 120.586 120.586 121.633 -1.047 19727 5494 1 10 . 1 1 39 39 THR HA H 39 5.280 5.280 4.949 0.331 19727 5495 1 10 . 1 1 39 39 THR CA C 39 62.950 62.950 61.308 1.642 19727 5496 1 10 . 1 1 39 39 THR CB C 39 70.590 70.590 71.194 -0.604 19727 5497 1 10 . 1 1 39 39 THR H H 39 9.191 9.191 7.682 1.509 19727 5498 1 10 . 1 1 40 40 ILE N N 40 128.371 128.371 124.662 3.709 19727 5499 1 10 . 1 1 40 40 ILE HA H 40 4.860 4.860 4.582 0.278 19727 5500 1 10 . 1 1 40 40 ILE CA C 40 61.570 61.570 60.127 1.443 19727 5501 1 10 . 1 1 40 40 ILE CB C 40 40.060 40.060 40.096 -0.036 19727 5502 1 10 . 1 1 40 40 ILE H H 40 8.531 8.531 8.981 -0.450 19727 5503 1 10 . 1 1 41 41 THR N N 41 120.285 120.285 122.374 -2.089 19727 5504 1 10 . 1 1 41 41 THR HA H 41 4.510 4.510 5.069 -0.559 19727 5505 1 10 . 1 1 41 41 THR CA C 41 60.930 60.930 60.287 0.643 19727 5506 1 10 . 1 1 41 41 THR CB C 41 71.450 71.450 70.568 0.882 19727 5507 1 10 . 1 1 41 41 THR H H 41 8.624 8.624 8.829 -0.205 19727 5508 1 10 . 1 1 42 42 GLN N N 42 126.369 126.369 120.466 5.903 19727 5509 1 10 . 1 1 42 42 GLN CA C 42 54.400 54.400 55.319 -0.919 19727 5510 1 10 . 1 1 42 42 GLN CB C 42 30.560 30.560 30.511 0.049 19727 5511 1 10 . 1 1 42 42 GLN H H 42 9.050 9.050 8.475 0.575 19727 5512 1 10 . 1 1 43 43 GLU N N 43 128.036 128.036 125.559 2.477 19727 5513 1 10 . 1 1 43 43 GLU HA H 43 4.400 4.400 4.602 -0.202 19727 5514 1 10 . 1 1 43 43 GLU CA C 43 55.020 55.020 55.933 -0.913 19727 5515 1 10 . 1 1 43 43 GLU CB C 43 31.630 31.630 31.347 0.283 19727 5516 1 10 . 1 1 43 43 GLU H H 43 8.807 8.807 8.371 0.435 19727 5517 1 10 . 1 1 44 44 GLY N N 44 117.000 117.000 115.049 1.951 19727 5518 1 10 . 1 1 44 44 GLY CA C 44 47.460 47.460 46.073 1.387 19727 5519 1 10 . 1 1 44 44 GLY H H 44 9.060 9.060 8.447 0.613 19727 5520 1 10 . 1 1 45 45 ASN N N 45 124.910 124.910 119.407 5.503 19727 5521 1 10 . 1 1 45 45 ASN HA H 45 4.830 4.830 4.477 0.353 19727 5522 1 10 . 1 1 45 45 ASN CA C 45 53.040 53.040 53.432 -0.392 19727 5523 1 10 . 1 1 45 45 ASN CB C 45 39.050 39.050 38.255 0.794 19727 5524 1 10 . 1 1 45 45 ASN H H 45 8.769 8.769 8.505 0.264 19727 5525 1 10 . 1 1 46 46 LYS N N 46 120.293 120.293 120.097 0.196 19727 5526 1 10 . 1 1 46 46 LYS HA H 46 4.890 4.890 4.533 0.357 19727 5527 1 10 . 1 1 46 46 LYS CA C 46 55.760 55.760 55.041 0.719 19727 5528 1 10 . 1 1 46 46 LYS CB C 46 34.610 34.610 35.228 -0.618 19727 5529 1 10 . 1 1 46 46 LYS H H 46 7.873 7.873 7.789 0.084 19727 5530 1 10 . 1 1 47 47 PHE N N 47 127.531 127.531 120.265 7.266 19727 5531 1 10 . 1 1 47 47 PHE HA H 47 4.700 4.700 5.000 -0.300 19727 5532 1 10 . 1 1 47 47 PHE CA C 47 56.450 56.450 54.435 2.015 19727 5533 1 10 . 1 1 47 47 PHE CB C 47 43.050 43.050 40.870 2.180 19727 5534 1 10 . 1 1 47 47 PHE H H 47 9.130 9.130 8.989 0.141 19727 5535 1 10 . 1 1 48 48 THR N N 48 115.162 115.162 119.966 -4.804 19727 5536 1 10 . 1 1 48 48 THR HA H 48 4.770 4.770 4.425 0.345 19727 5537 1 10 . 1 1 48 48 THR CA C 48 62.090 62.090 61.851 0.239 19727 5538 1 10 . 1 1 48 48 THR CB C 48 70.280 70.280 68.742 1.538 19727 5539 1 10 . 1 1 48 48 THR H H 48 8.318 8.318 8.326 -0.008 19727 5540 1 10 . 1 1 49 49 VAL N N 49 127.272 127.272 125.627 1.645 19727 5541 1 10 . 1 1 49 49 VAL HA H 49 4.840 4.840 4.460 0.380 19727 5542 1 10 . 1 1 49 49 VAL CA C 49 61.110 61.110 60.734 0.376 19727 5543 1 10 . 1 1 49 49 VAL CB C 49 34.330 34.330 32.586 1.744 19727 5544 1 10 . 1 1 49 49 VAL H H 49 9.580 9.580 7.671 1.909 19727 5545 1 10 . 1 1 50 50 LYS N N 50 127.439 127.439 128.118 -0.679 19727 5546 1 10 . 1 1 50 50 LYS HA H 50 4.993 4.993 4.465 0.528 19727 5547 1 10 . 1 1 50 50 LYS CA C 50 55.500 55.500 55.219 0.281 19727 5548 1 10 . 1 1 50 50 LYS CB C 50 33.320 33.320 34.305 -0.985 19727 5549 1 10 . 1 1 50 50 LYS H H 50 9.175 9.175 8.565 0.610 19727 5550 1 10 . 1 1 51 51 GLU N N 51 128.140 128.140 125.072 3.068 19727 5551 1 10 . 1 1 51 51 GLU HA H 51 5.090 5.090 5.256 -0.166 19727 5552 1 10 . 1 1 51 51 GLU CA C 51 55.160 55.160 54.659 0.501 19727 5553 1 10 . 1 1 51 51 GLU CB C 51 31.450 31.450 33.010 -1.560 19727 5554 1 10 . 1 1 51 51 GLU H H 51 9.173 9.173 8.595 0.578 19727 5555 1 10 . 1 1 52 52 SER N N 52 120.997 120.997 120.881 0.116 19727 5556 1 10 . 1 1 52 52 SER CA C 52 56.630 56.630 57.561 -0.931 19727 5557 1 10 . 1 1 52 52 SER CB C 52 65.290 65.290 66.242 -0.952 19727 5558 1 10 . 1 1 52 52 SER H H 52 9.015 9.015 8.307 0.708 19727 5559 1 10 . 1 1 53 53 SER N N 53 117.567 117.567 117.550 0.017 19727 5560 1 10 . 1 1 53 53 SER CA C 53 56.780 56.780 57.068 -0.288 19727 5561 1 10 . 1 1 53 53 SER CB C 53 68.320 68.320 65.785 2.535 19727 5562 1 10 . 1 1 53 53 SER H H 53 9.013 9.013 8.548 0.465 19727 5563 1 10 . 1 1 54 54 ALA N N 54 119.830 119.830 124.277 -4.447 19727 5564 1 10 . 1 1 54 54 ALA HA H 54 4.030 4.030 4.484 -0.454 19727 5565 1 10 . 1 1 54 54 ALA CA C 54 54.030 54.030 54.039 -0.009 19727 5566 1 10 . 1 1 54 54 ALA CB C 54 18.380 18.380 19.212 -0.832 19727 5567 1 10 . 1 1 54 54 ALA H H 54 9.009 9.009 8.846 0.163 19727 5568 1 10 . 1 1 55 55 PHE N N 55 112.640 112.640 116.496 -3.856 19727 5569 1 10 . 1 1 55 55 PHE H H 55 8.050 8.050 8.003 0.047 19727 5570 1 10 . 1 1 57 57 ASN N N 57 119.170 119.170 116.822 2.348 19727 5571 1 10 . 1 1 57 57 ASN HA H 57 5.840 5.840 5.097 0.743 19727 5572 1 10 . 1 1 57 57 ASN CA C 57 53.190 53.190 52.289 0.901 19727 5573 1 10 . 1 1 57 57 ASN CB C 57 40.990 40.990 41.517 -0.527 19727 5574 1 10 . 1 1 57 57 ASN H H 57 8.487 8.487 8.384 0.103 19727 5575 1 10 . 1 1 58 58 ILE N N 58 117.653 117.653 118.096 -0.443 19727 5576 1 10 . 1 1 58 58 ILE HA H 58 4.860 4.860 4.610 0.250 19727 5577 1 10 . 1 1 58 58 ILE CA C 58 60.150 60.150 60.159 -0.009 19727 5578 1 10 . 1 1 58 58 ILE CB C 58 43.590 43.590 42.551 1.038 19727 5579 1 10 . 1 1 58 58 ILE H H 58 8.803 8.803 7.999 0.804 19727 5580 1 10 . 1 1 59 59 GLU N N 59 123.376 123.376 120.689 2.687 19727 5581 1 10 . 1 1 59 59 GLU HA H 59 5.260 5.260 4.491 0.769 19727 5582 1 10 . 1 1 59 59 GLU CA C 59 60.170 60.170 55.754 4.416 19727 5583 1 10 . 1 1 59 59 GLU CB C 59 32.900 32.900 32.022 0.878 19727 5584 1 10 . 1 1 59 59 GLU H H 59 8.519 8.519 8.226 0.293 19727 5585 1 10 . 1 1 60 60 VAL N N 60 127.157 127.157 118.921 8.236 19727 5586 1 10 . 1 1 60 60 VAL HA H 60 4.460 4.460 4.156 0.304 19727 5587 1 10 . 1 1 60 60 VAL CA C 60 61.730 61.730 61.921 -0.191 19727 5588 1 10 . 1 1 60 60 VAL CB C 60 35.030 35.030 34.778 0.252 19727 5589 1 10 . 1 1 60 60 VAL H H 60 9.227 9.227 7.857 1.370 19727 5590 1 10 . 1 1 61 61 VAL N N 61 125.109 125.109 128.205 -3.096 19727 5591 1 10 . 1 1 61 61 VAL HA H 61 5.160 5.160 3.900 1.260 19727 5592 1 10 . 1 1 61 61 VAL CA C 61 60.350 60.350 63.210 -2.860 19727 5593 1 10 . 1 1 61 61 VAL CB C 61 34.600 34.600 32.386 2.214 19727 5594 1 10 . 1 1 61 61 VAL H H 61 8.179 8.179 8.136 0.043 19727 5595 1 10 . 1 1 62 62 PHE N N 62 121.713 121.713 125.760 -4.047 19727 5596 1 10 . 1 1 62 62 PHE HA H 62 4.840 4.840 4.866 -0.026 19727 5597 1 10 . 1 1 62 62 PHE CA C 62 55.320 55.320 54.917 0.403 19727 5598 1 10 . 1 1 62 62 PHE CB C 62 41.060 41.060 42.339 -1.279 19727 5599 1 10 . 1 1 62 62 PHE H H 62 8.432 8.432 9.154 -0.722 19727 5600 1 10 . 1 1 63 63 GLU N N 63 119.775 119.775 120.296 -0.521 19727 5601 1 10 . 1 1 63 63 GLU HA H 63 5.330 5.330 4.559 0.771 19727 5602 1 10 . 1 1 63 63 GLU CA C 63 53.700 53.700 54.829 -1.129 19727 5603 1 10 . 1 1 63 63 GLU CB C 63 32.720 32.720 34.389 -1.669 19727 5604 1 10 . 1 1 63 63 GLU H H 63 9.386 9.386 8.569 0.817 19727 5605 1 10 . 1 1 64 64 LEU N N 64 124.568 124.568 122.998 1.570 19727 5606 1 10 . 1 1 64 64 LEU HA H 64 4.530 4.530 4.386 0.144 19727 5607 1 10 . 1 1 64 64 LEU CA C 64 56.770 56.770 55.038 1.732 19727 5608 1 10 . 1 1 64 64 LEU CB C 64 41.390 41.390 41.223 0.167 19727 5609 1 10 . 1 1 64 64 LEU H H 64 8.834 8.834 8.062 0.772 19727 5610 1 10 . 1 1 65 65 GLY N N 65 108.336 108.336 113.510 -5.174 19727 5611 1 10 . 1 1 65 65 GLY CA C 65 46.210 46.210 44.799 1.411 19727 5612 1 10 . 1 1 65 65 GLY H H 65 9.299 9.299 8.475 0.824 19727 5613 1 10 . 1 1 66 66 VAL N N 66 121.972 121.972 118.717 3.255 19727 5614 1 10 . 1 1 66 66 VAL HA H 66 4.380 4.380 4.673 -0.293 19727 5615 1 10 . 1 1 66 66 VAL CA C 66 62.660 62.660 59.358 3.302 19727 5616 1 10 . 1 1 66 66 VAL CB C 66 32.900 32.900 34.550 -1.650 19727 5617 1 10 . 1 1 66 66 VAL H H 66 7.905 7.905 7.569 0.336 19727 5618 1 10 . 1 1 67 67 THR N N 67 129.168 129.168 120.732 8.436 19727 5619 1 10 . 1 1 67 67 THR HA H 67 4.390 4.390 4.752 -0.362 19727 5620 1 10 . 1 1 67 67 THR CA C 67 64.580 64.580 62.229 2.351 19727 5621 1 10 . 1 1 67 67 THR CB C 67 69.140 69.140 69.663 -0.523 19727 5622 1 10 . 1 1 67 67 THR H H 67 8.784 8.784 8.134 0.650 19727 5623 1 10 . 1 1 68 68 PHE N N 68 126.387 126.387 123.590 2.797 19727 5624 1 10 . 1 1 68 68 PHE HA H 68 5.120 5.120 4.522 0.598 19727 5625 1 10 . 1 1 68 68 PHE CA C 68 56.240 56.240 57.425 -1.185 19727 5626 1 10 . 1 1 68 68 PHE CB C 68 41.980 41.980 40.835 1.145 19727 5627 1 10 . 1 1 68 68 PHE H H 68 9.687 9.687 8.481 1.206 19727 5628 1 10 . 1 1 69 69 ASN N N 69 116.298 116.298 118.376 -2.078 19727 5629 1 10 . 1 1 69 69 ASN HA H 69 5.340 5.340 5.055 0.285 19727 5630 1 10 . 1 1 69 69 ASN CA C 69 51.630 51.630 52.773 -1.143 19727 5631 1 10 . 1 1 69 69 ASN CB C 69 40.640 40.640 40.812 -0.172 19727 5632 1 10 . 1 1 69 69 ASN H H 69 8.370 8.370 8.220 0.150 19727 5633 1 10 . 1 1 70 70 TYR N N 70 120.913 120.913 123.187 -2.274 19727 5634 1 10 . 1 1 70 70 TYR H H 70 8.655 8.655 8.209 0.446 19727 5635 1 10 . 1 1 73 73 ALA HA H 73 3.760 3.760 4.156 -0.396 19727 5636 1 10 . 1 1 73 73 ALA CA C 73 53.600 53.600 53.221 0.379 19727 5637 1 10 . 1 1 73 73 ALA CB C 73 17.960 17.960 19.060 -1.100 19727 5638 1 10 . 1 1 74 74 ASP N N 74 113.641 113.641 120.503 -6.862 19727 5639 1 10 . 1 1 74 74 ASP CA C 74 52.960 52.960 54.967 -2.007 19727 5640 1 10 . 1 1 74 74 ASP CB C 74 39.210 39.210 40.637 -1.427 19727 5641 1 10 . 1 1 74 74 ASP H H 74 8.575 8.575 8.480 0.095 19727 5642 1 10 . 1 1 75 75 GLY N N 75 107.874 107.874 106.681 1.193 19727 5643 1 10 . 1 1 75 75 GLY CA C 75 44.800 44.800 45.747 -0.947 19727 5644 1 10 . 1 1 75 75 GLY H H 75 7.745 7.745 8.311 -0.566 19727 5645 1 10 . 1 1 76 76 THR N N 76 119.192 119.192 115.232 3.960 19727 5646 1 10 . 1 1 76 76 THR CA C 76 64.980 64.980 61.051 3.929 19727 5647 1 10 . 1 1 76 76 THR CB C 76 68.240 68.240 70.757 -2.517 19727 5648 1 10 . 1 1 76 76 THR H H 76 7.724 7.724 8.341 -0.617 19727 5649 1 10 . 1 1 77 77 GLU N N 77 128.678 128.678 119.350 9.328 19727 5650 1 10 . 1 1 77 77 GLU CA C 77 56.450 56.450 55.925 0.525 19727 5651 1 10 . 1 1 77 77 GLU CB C 77 31.500 31.500 30.675 0.825 19727 5652 1 10 . 1 1 77 77 GLU H H 77 8.468 8.468 8.482 -0.014 19727 5653 1 10 . 1 1 78 78 LEU N N 78 124.431 124.431 123.846 0.585 19727 5654 1 10 . 1 1 78 78 LEU HA H 78 5.130 5.130 4.838 0.292 19727 5655 1 10 . 1 1 78 78 LEU CA C 78 53.230 53.230 54.404 -1.174 19727 5656 1 10 . 1 1 78 78 LEU CB C 78 45.400 45.400 43.540 1.860 19727 5657 1 10 . 1 1 78 78 LEU H H 78 8.875 8.875 7.782 1.093 19727 5658 1 10 . 1 1 79 79 ARG HA H 79 5.390 5.390 5.388 0.002 19727 5659 1 10 . 1 1 79 79 ARG CA C 79 54.560 54.560 54.973 -0.413 19727 5660 1 10 . 1 1 79 79 ARG CB C 79 33.860 33.860 33.408 0.452 19727 5661 1 10 . 1 1 80 80 GLY N N 80 115.450 115.450 111.989 3.461 19727 5662 1 10 . 1 1 80 80 GLY CA C 80 46.730 46.730 45.274 1.456 19727 5663 1 10 . 1 1 80 80 GLY H H 80 9.026 9.026 8.628 0.398 19727 5664 1 10 . 1 1 81 81 THR N N 81 106.379 106.379 112.148 -5.769 19727 5665 1 10 . 1 1 81 81 THR HA H 81 4.680 4.680 5.036 -0.356 19727 5666 1 10 . 1 1 81 81 THR CA C 81 59.010 59.010 61.133 -2.123 19727 5667 1 10 . 1 1 81 81 THR CB C 81 73.140 73.140 71.127 2.013 19727 5668 1 10 . 1 1 81 81 THR H H 81 6.937 6.937 7.894 -0.957 19727 5669 1 10 . 1 1 82 82 TRP N N 82 120.025 120.025 120.409 -0.384 19727 5670 1 10 . 1 1 82 82 TRP HA H 82 5.350 5.350 4.928 0.422 19727 5671 1 10 . 1 1 82 82 TRP CA C 82 56.400 56.400 56.729 -0.329 19727 5672 1 10 . 1 1 82 82 TRP CB C 82 33.630 33.630 33.005 0.625 19727 5673 1 10 . 1 1 82 82 TRP H H 82 9.126 9.126 7.880 1.246 19727 5674 1 10 . 1 1 83 83 SER N N 83 115.180 115.180 118.460 -3.280 19727 5675 1 10 . 1 1 83 83 SER HA H 83 5.490 5.490 4.825 0.665 19727 5676 1 10 . 1 1 83 83 SER CA C 83 57.080 57.080 56.691 0.389 19727 5677 1 10 . 1 1 83 83 SER CB C 83 65.680 65.680 66.481 -0.801 19727 5678 1 10 . 1 1 83 83 SER H H 83 9.045 9.045 8.856 0.189 19727 5679 1 10 . 1 1 84 84 LEU N N 84 125.420 125.420 124.358 1.062 19727 5680 1 10 . 1 1 84 84 LEU HA H 84 5.200 5.200 4.864 0.336 19727 5681 1 10 . 1 1 84 84 LEU CA C 84 54.600 54.600 53.889 0.710 19727 5682 1 10 . 1 1 84 84 LEU CB C 84 45.130 45.130 45.242 -0.112 19727 5683 1 10 . 1 1 84 84 LEU H H 84 8.889 8.889 8.681 0.208 19727 5684 1 10 . 1 1 85 85 GLU N N 85 127.397 127.397 125.583 1.814 19727 5685 1 10 . 1 1 85 85 GLU HA H 85 4.610 4.610 4.554 0.056 19727 5686 1 10 . 1 1 85 85 GLU CA C 85 55.310 55.310 54.908 0.402 19727 5687 1 10 . 1 1 85 85 GLU CB C 85 31.470 31.470 29.557 1.913 19727 5688 1 10 . 1 1 85 85 GLU H H 85 8.964 8.964 8.739 0.225 19727 5689 1 10 . 1 1 86 86 GLY N N 86 117.395 117.395 116.508 0.887 19727 5690 1 10 . 1 1 86 86 GLY CA C 86 47.580 47.580 47.258 0.322 19727 5691 1 10 . 1 1 86 86 GLY H H 86 9.039 9.039 8.642 0.397 19727 5692 1 10 . 1 1 87 87 ASN N N 87 122.457 122.457 123.757 -1.300 19727 5693 1 10 . 1 1 87 87 ASN HA H 87 4.820 4.820 4.978 -0.158 19727 5694 1 10 . 1 1 87 87 ASN CA C 87 53.170 53.170 52.842 0.328 19727 5695 1 10 . 1 1 87 87 ASN CB C 87 38.800 38.800 39.575 -0.775 19727 5696 1 10 . 1 1 87 87 ASN H H 87 8.765 8.765 8.477 0.288 19727 5697 1 10 . 1 1 88 88 LYS N N 88 117.971 117.971 118.898 -0.927 19727 5698 1 10 . 1 1 88 88 LYS HA H 88 4.960 4.960 4.787 0.173 19727 5699 1 10 . 1 1 88 88 LYS CA C 88 56.000 56.000 54.988 1.012 19727 5700 1 10 . 1 1 88 88 LYS CB C 88 35.580 35.580 36.125 -0.545 19727 5701 1 10 . 1 1 88 88 LYS H H 88 7.986 7.986 7.858 0.128 19727 5702 1 10 . 1 1 89 89 LEU N N 89 122.876 122.876 124.318 -1.442 19727 5703 1 10 . 1 1 89 89 LEU HA H 89 5.010 5.010 4.873 0.137 19727 5704 1 10 . 1 1 89 89 LEU CA C 89 53.450 53.450 53.374 0.076 19727 5705 1 10 . 1 1 89 89 LEU CB C 89 43.856 43.856 45.024 -1.168 19727 5706 1 10 . 1 1 89 89 LEU H H 89 8.622 8.622 8.830 -0.208 19727 5707 1 10 . 1 1 90 90 ILE N N 90 124.780 124.780 124.246 0.534 19727 5708 1 10 . 1 1 90 90 ILE HA H 90 4.600 4.600 4.783 -0.183 19727 5709 1 10 . 1 1 90 90 ILE CA C 90 60.250 60.250 59.075 1.175 19727 5710 1 10 . 1 1 90 90 ILE CB C 90 38.760 38.760 40.955 -2.195 19727 5711 1 10 . 1 1 90 90 ILE H H 90 9.589 9.589 8.941 0.648 19727 5712 1 10 . 1 1 91 91 GLY N N 91 121.700 121.700 112.304 9.396 19727 5713 1 10 . 1 1 91 91 GLY CA C 91 44.680 44.680 43.271 1.409 19727 5714 1 10 . 1 1 91 91 GLY H H 91 9.620 9.620 8.699 0.921 19727 5715 1 10 . 1 1 92 92 LYS N N 92 127.600 127.600 118.891 8.709 19727 5716 1 10 . 1 1 92 92 LYS HA H 92 4.710 4.710 5.247 -0.537 19727 5717 1 10 . 1 1 92 92 LYS CA C 92 55.450 55.450 55.241 0.209 19727 5718 1 10 . 1 1 92 92 LYS CB C 92 33.530 33.530 37.397 -3.867 19727 5719 1 10 . 1 1 92 92 LYS H H 92 7.730 7.730 8.482 -0.752 19727 5720 1 10 . 1 1 93 93 PHE N N 93 122.003 122.003 120.369 1.634 19727 5721 1 10 . 1 1 93 93 PHE HA H 93 5.200 5.200 5.005 0.195 19727 5722 1 10 . 1 1 93 93 PHE CA C 93 55.960 55.960 56.887 -0.927 19727 5723 1 10 . 1 1 93 93 PHE CB C 93 44.350 44.350 44.275 0.075 19727 5724 1 10 . 1 1 93 93 PHE H H 93 8.443 8.443 9.101 -0.658 19727 5725 1 10 . 1 1 94 94 LYS N N 94 119.319 119.319 119.157 0.162 19727 5726 1 10 . 1 1 94 94 LYS HA H 94 5.050 5.050 5.405 -0.355 19727 5727 1 10 . 1 1 94 94 LYS CA C 94 55.150 55.150 55.214 -0.064 19727 5728 1 10 . 1 1 94 94 LYS CB C 94 36.180 36.180 35.829 0.351 19727 5729 1 10 . 1 1 94 94 LYS H H 94 8.803 8.803 8.645 0.158 19727 5730 1 10 . 1 1 95 95 ARG N N 95 122.142 122.142 126.332 -4.190 19727 5731 1 10 . 1 1 95 95 ARG HA H 95 4.760 4.760 4.982 -0.222 19727 5732 1 10 . 1 1 95 95 ARG CA C 95 56.030 56.030 56.718 -0.688 19727 5733 1 10 . 1 1 95 95 ARG CB C 95 31.720 31.720 31.460 0.260 19727 5734 1 10 . 1 1 95 95 ARG H H 95 8.738 8.738 8.948 -0.210 19727 5735 1 10 . 1 1 96 96 THR N N 96 117.210 117.210 118.380 -1.170 19727 5736 1 10 . 1 1 96 96 THR HA H 96 4.060 4.060 4.185 -0.125 19727 5737 1 10 . 1 1 96 96 THR CA C 96 64.140 64.140 65.788 -1.649 19727 5738 1 10 . 1 1 96 96 THR CB C 96 68.570 68.570 68.765 -0.195 19727 5739 1 10 . 1 1 96 96 THR H H 96 8.520 8.520 8.440 0.080 19727 5740 1 10 . 1 1 97 97 ASP N N 97 120.647 120.647 119.884 0.763 19727 5741 1 10 . 1 1 97 97 ASP HA H 97 4.330 4.330 4.448 -0.118 19727 5742 1 10 . 1 1 97 97 ASP CA C 97 56.200 56.200 56.559 -0.359 19727 5743 1 10 . 1 1 97 97 ASP CB C 97 38.860 38.860 41.052 -2.192 19727 5744 1 10 . 1 1 97 97 ASP H H 97 8.932 8.932 8.579 0.353 19727 5745 1 10 . 1 1 98 98 ASN N N 98 116.362 116.362 114.565 1.797 19727 5746 1 10 . 1 1 98 98 ASN HA H 98 4.750 4.750 4.748 0.002 19727 5747 1 10 . 1 1 98 98 ASN CA C 98 51.640 51.640 53.297 -1.657 19727 5748 1 10 . 1 1 98 98 ASN CB C 98 39.340 39.340 39.577 -0.237 19727 5749 1 10 . 1 1 98 98 ASN H H 98 8.614 8.614 7.613 1.001 19727 5750 1 10 . 1 1 99 99 GLY N N 99 107.794 107.794 108.370 -0.576 19727 5751 1 10 . 1 1 99 99 GLY CA C 99 46.300 46.300 46.124 0.176 19727 5752 1 10 . 1 1 99 99 GLY H H 99 7.811 7.811 8.212 -0.401 19727 5753 1 10 . 1 1 100 100 ASN N N 100 118.972 118.972 117.190 1.782 19727 5754 1 10 . 1 1 100 100 ASN HA H 100 4.690 4.690 4.439 0.251 19727 5755 1 10 . 1 1 100 100 ASN CA C 100 53.210 53.210 54.001 -0.791 19727 5756 1 10 . 1 1 100 100 ASN CB C 100 38.970 38.970 39.416 -0.446 19727 5757 1 10 . 1 1 100 100 ASN H H 100 8.416 8.416 7.709 0.707 19727 5758 1 10 . 1 1 101 101 GLU N N 101 119.642 119.642 121.012 -1.370 19727 5759 1 10 . 1 1 101 101 GLU HA H 101 4.790 4.790 4.451 0.339 19727 5760 1 10 . 1 1 101 101 GLU CA C 101 57.020 57.020 56.708 0.312 19727 5761 1 10 . 1 1 101 101 GLU CB C 101 31.970 31.970 31.395 0.575 19727 5762 1 10 . 1 1 101 101 GLU H H 101 8.730 8.730 8.409 0.321 19727 5763 1 10 . 1 1 102 102 LEU N N 102 125.033 125.033 124.741 0.292 19727 5764 1 10 . 1 1 102 102 LEU HA H 102 5.200 5.200 5.444 -0.244 19727 5765 1 10 . 1 1 102 102 LEU CA C 102 55.260 55.260 54.268 0.992 19727 5766 1 10 . 1 1 102 102 LEU CB C 102 45.870 45.870 46.096 -0.226 19727 5767 1 10 . 1 1 102 102 LEU H H 102 8.908 8.908 8.627 0.281 19727 5768 1 10 . 1 1 103 103 ASN N N 103 123.919 123.919 126.659 -2.740 19727 5769 1 10 . 1 1 103 103 ASN HA H 103 5.670 5.670 5.309 0.361 19727 5770 1 10 . 1 1 103 103 ASN CA C 103 52.150 52.150 52.663 -0.513 19727 5771 1 10 . 1 1 103 103 ASN CB C 103 41.970 41.970 41.533 0.437 19727 5772 1 10 . 1 1 103 103 ASN H H 103 8.452 8.452 9.487 -1.035 19727 5773 1 10 . 1 1 104 104 THR N N 104 117.100 117.100 114.092 3.008 19727 5774 1 10 . 1 1 104 104 THR HA H 104 5.530 5.530 5.054 0.476 19727 5775 1 10 . 1 1 104 104 THR CA C 104 58.550 58.550 61.046 -2.496 19727 5776 1 10 . 1 1 104 104 THR CB C 104 70.450 70.450 70.422 0.028 19727 5777 1 10 . 1 1 104 104 THR H H 104 9.050 9.050 8.810 0.240 19727 5778 1 10 . 1 1 105 105 VAL HA H 105 5.290 5.290 4.196 1.094 19727 5779 1 10 . 1 1 105 105 VAL CA C 105 61.070 61.070 61.403 -0.333 19727 5780 1 10 . 1 1 105 105 VAL CB C 105 36.290 36.290 33.203 3.087 19727 5781 1 10 . 1 1 106 106 ARG N N 106 124.249 124.249 128.384 -4.135 19727 5782 1 10 . 1 1 106 106 ARG CA C 106 54.890 54.890 54.252 0.638 19727 5783 1 10 . 1 1 106 106 ARG CB C 106 33.890 33.890 32.877 1.013 19727 5784 1 10 . 1 1 106 106 ARG H H 106 9.466 9.466 9.219 0.247 19727 5785 1 10 . 1 1 107 107 GLU N N 107 120.784 120.784 126.472 -5.688 19727 5786 1 10 . 1 1 107 107 GLU HA H 107 4.960 4.960 4.763 0.197 19727 5787 1 10 . 1 1 107 107 GLU CA C 107 54.810 54.810 53.692 1.118 19727 5788 1 10 . 1 1 107 107 GLU CB C 107 33.800 33.800 32.409 1.391 19727 5789 1 10 . 1 1 107 107 GLU H H 107 8.605 8.605 8.236 0.369 19727 5790 1 10 . 1 1 108 108 ILE N N 108 124.182 124.182 124.912 -0.730 19727 5791 1 10 . 1 1 108 108 ILE HA H 108 4.780 4.780 4.191 0.589 19727 5792 1 10 . 1 1 108 108 ILE CA C 108 59.050 59.050 60.411 -1.361 19727 5793 1 10 . 1 1 108 108 ILE CB C 108 36.670 36.670 35.237 1.433 19727 5794 1 10 . 1 1 108 108 ILE H H 108 8.732 8.732 8.460 0.272 19727 5795 1 10 . 1 1 109 109 ILE N N 109 129.631 129.631 128.337 1.294 19727 5796 1 10 . 1 1 109 109 ILE HA H 109 4.250 4.250 4.064 0.186 19727 5797 1 10 . 1 1 109 109 ILE CA C 109 61.100 61.100 60.767 0.333 19727 5798 1 10 . 1 1 109 109 ILE CB C 109 39.290 39.290 38.558 0.732 19727 5799 1 10 . 1 1 109 109 ILE H H 109 8.903 8.903 7.970 0.933 19727 5800 1 10 . 1 1 110 110 GLY N N 110 119.473 119.473 116.661 2.812 19727 5801 1 10 . 1 1 110 110 GLY CA C 110 47.690 47.690 46.285 1.405 19727 5802 1 10 . 1 1 110 110 GLY H H 110 9.123 9.123 8.520 0.603 19727 5803 1 10 . 1 1 111 111 ASP N N 111 123.998 123.998 125.396 -1.398 19727 5804 1 10 . 1 1 111 111 ASP HA H 111 4.750 4.750 4.816 -0.066 19727 5805 1 10 . 1 1 111 111 ASP CA C 111 54.100 54.100 54.198 -0.098 19727 5806 1 10 . 1 1 111 111 ASP CB C 111 41.490 41.490 41.306 0.184 19727 5807 1 10 . 1 1 111 111 ASP H H 111 8.699 8.699 8.523 0.176 19727 5808 1 10 . 1 1 112 112 GLU N N 112 118.194 118.194 116.851 1.343 19727 5809 1 10 . 1 1 112 112 GLU HA H 112 5.150 5.150 4.720 0.430 19727 5810 1 10 . 1 1 112 112 GLU CA C 112 55.560 55.560 54.117 1.443 19727 5811 1 10 . 1 1 112 112 GLU CB C 112 33.200 33.200 33.508 -0.308 19727 5812 1 10 . 1 1 112 112 GLU H H 112 7.924 7.924 8.302 -0.378 19727 5813 1 10 . 1 1 113 113 LEU N N 113 123.501 123.501 120.712 2.789 19727 5814 1 10 . 1 1 113 113 LEU HA H 113 4.400 4.400 4.898 -0.498 19727 5815 1 10 . 1 1 113 113 LEU CA C 113 54.140 54.140 53.629 0.511 19727 5816 1 10 . 1 1 113 113 LEU CB C 113 42.180 42.180 45.175 -2.995 19727 5817 1 10 . 1 1 113 113 LEU H H 113 7.851 7.851 8.315 -0.464 19727 5818 1 10 . 1 1 114 114 VAL N N 114 127.898 127.898 125.275 2.623 19727 5819 1 10 . 1 1 114 114 VAL HA H 114 4.520 4.520 4.503 0.017 19727 5820 1 10 . 1 1 114 114 VAL CA C 114 62.290 62.290 59.588 2.702 19727 5821 1 10 . 1 1 114 114 VAL CB C 114 33.430 33.430 33.134 0.296 19727 5822 1 10 . 1 1 114 114 VAL H H 114 9.357 9.357 8.715 0.642 19727 5823 1 10 . 1 1 115 115 GLN N N 115 130.218 130.218 129.799 0.419 19727 5824 1 10 . 1 1 115 115 GLN HA H 115 5.710 5.710 4.907 0.803 19727 5825 1 10 . 1 1 115 115 GLN CA C 115 53.930 53.930 54.543 -0.613 19727 5826 1 10 . 1 1 115 115 GLN CB C 115 30.060 30.060 31.297 -1.237 19727 5827 1 10 . 1 1 115 115 GLN H H 115 9.552 9.552 9.161 0.391 19727 5828 1 10 . 1 1 116 116 THR N N 116 121.078 121.078 119.062 2.016 19727 5829 1 10 . 1 1 116 116 THR HA H 116 5.080 5.080 4.993 0.087 19727 5830 1 10 . 1 1 116 116 THR CA C 116 61.800 61.800 61.418 0.382 19727 5831 1 10 . 1 1 116 116 THR CB C 116 70.470 70.470 69.770 0.700 19727 5832 1 10 . 1 1 116 116 THR H H 116 8.832 8.832 8.374 0.458 19727 5833 1 10 . 1 1 117 117 TYR N N 117 125.712 125.712 125.704 0.008 19727 5834 1 10 . 1 1 117 117 TYR HA H 117 4.950 4.950 5.870 -0.920 19727 5835 1 10 . 1 1 117 117 TYR CA C 117 56.430 56.430 55.765 0.665 19727 5836 1 10 . 1 1 117 117 TYR CB C 117 42.110 42.110 42.305 -0.195 19727 5837 1 10 . 1 1 117 117 TYR H H 117 9.440 9.440 9.763 -0.323 19727 5838 1 10 . 1 1 118 118 VAL N N 118 120.314 120.314 119.965 0.349 19727 5839 1 10 . 1 1 118 118 VAL HA H 118 5.350 5.350 5.063 0.287 19727 5840 1 10 . 1 1 118 118 VAL CA C 118 62.170 62.170 61.136 1.034 19727 5841 1 10 . 1 1 118 118 VAL CB C 118 34.810 34.810 35.264 -0.454 19727 5842 1 10 . 1 1 118 118 VAL H H 118 9.026 9.026 9.525 -0.499 19727 5843 1 10 . 1 1 119 119 TYR N N 119 127.564 127.564 128.512 -0.948 19727 5844 1 10 . 1 1 119 119 TYR HA H 119 4.940 4.940 5.328 -0.388 19727 5845 1 10 . 1 1 119 119 TYR CA C 119 58.170 58.170 56.075 2.095 19727 5846 1 10 . 1 1 119 119 TYR CB C 119 43.490 43.490 41.207 2.283 19727 5847 1 10 . 1 1 119 119 TYR H H 119 9.041 9.041 9.339 -0.298 19727 5848 1 10 . 1 1 120 120 GLU N N 120 125.533 125.533 127.752 -2.219 19727 5849 1 10 . 1 1 120 120 GLU HA H 120 3.430 3.430 3.651 -0.221 19727 5850 1 10 . 1 1 120 120 GLU CA C 120 56.140 56.140 58.253 -2.113 19727 5851 1 10 . 1 1 120 120 GLU CB C 120 28.400 28.400 27.710 0.690 19727 5852 1 10 . 1 1 120 120 GLU H H 120 9.509 9.509 8.547 0.962 19727 5853 1 10 . 1 1 121 121 GLY N N 121 102.076 102.076 109.224 -7.148 19727 5854 1 10 . 1 1 121 121 GLY CA C 121 45.480 45.480 45.703 -0.223 19727 5855 1 10 . 1 1 121 121 GLY H H 121 8.374 8.374 8.534 -0.160 19727 5856 1 10 . 1 1 122 122 VAL N N 122 123.797 123.797 124.076 -0.279 19727 5857 1 10 . 1 1 122 122 VAL HA H 122 4.190 4.190 4.308 -0.118 19727 5858 1 10 . 1 1 122 122 VAL CA C 122 62.660 62.660 61.599 1.061 19727 5859 1 10 . 1 1 122 122 VAL CB C 122 32.980 32.980 33.664 -0.684 19727 5860 1 10 . 1 1 122 122 VAL H H 122 8.371 8.371 7.840 0.531 19727 5861 1 10 . 1 1 123 123 GLU N N 123 126.257 126.257 126.460 -0.203 19727 5862 1 10 . 1 1 123 123 GLU HA H 123 5.670 5.670 5.315 0.355 19727 5863 1 10 . 1 1 123 123 GLU CA C 123 54.010 54.010 55.222 -1.212 19727 5864 1 10 . 1 1 123 123 GLU CB C 123 32.850 32.850 33.023 -0.173 19727 5865 1 10 . 1 1 123 123 GLU H H 123 8.511 8.511 8.802 -0.291 19727 5866 1 10 . 1 1 124 124 ALA N N 124 126.354 126.354 129.049 -2.695 19727 5867 1 10 . 1 1 124 124 ALA HA H 124 5.150 5.150 4.778 0.372 19727 5868 1 10 . 1 1 124 124 ALA CA C 124 50.860 50.860 50.611 0.249 19727 5869 1 10 . 1 1 124 124 ALA CB C 124 24.060 24.060 21.831 2.229 19727 5870 1 10 . 1 1 124 124 ALA H H 124 9.258 9.258 9.341 -0.083 19727 5871 1 10 . 1 1 125 125 LYS N N 125 115.989 115.989 122.793 -6.804 19727 5872 1 10 . 1 1 125 125 LYS HA H 125 5.760 5.760 5.385 0.375 19727 5873 1 10 . 1 1 125 125 LYS CA C 125 55.130 55.130 54.798 0.332 19727 5874 1 10 . 1 1 125 125 LYS CB C 125 38.130 38.130 36.554 1.576 19727 5875 1 10 . 1 1 125 125 LYS H H 125 8.847 8.847 8.492 0.355 19727 5876 1 10 . 1 1 126 126 ARG N N 126 120.557 120.557 121.290 -0.733 19727 5877 1 10 . 1 1 126 126 ARG HA H 126 4.750 4.750 4.679 0.071 19727 5878 1 10 . 1 1 126 126 ARG CA C 126 56.940 56.940 55.956 0.984 19727 5879 1 10 . 1 1 126 126 ARG CB C 126 34.040 34.040 33.585 0.455 19727 5880 1 10 . 1 1 126 126 ARG H H 126 9.241 9.241 9.193 0.048 19727 5881 1 10 . 1 1 127 127 ILE N N 127 122.970 122.970 126.616 -3.646 19727 5882 1 10 . 1 1 127 127 ILE HA H 127 5.020 5.020 4.733 0.287 19727 5883 1 10 . 1 1 127 127 ILE CA C 127 61.670 61.670 59.526 2.143 19727 5884 1 10 . 1 1 127 127 ILE CB C 127 40.200 40.200 37.232 2.968 19727 5885 1 10 . 1 1 127 127 ILE H H 127 8.785 8.785 8.252 0.533 19727 5886 1 10 . 1 1 128 128 PHE N N 128 126.381 126.381 128.233 -1.852 19727 5887 1 10 . 1 1 128 128 PHE HA H 128 5.260 5.260 4.819 0.441 19727 5888 1 10 . 1 1 128 128 PHE CA C 128 56.050 56.050 56.435 -0.385 19727 5889 1 10 . 1 1 128 128 PHE CB C 128 42.730 42.730 43.137 -0.407 19727 5890 1 10 . 1 1 128 128 PHE H H 128 10.070 10.070 9.224 0.846 19727 5891 1 10 . 1 1 129 129 LYS N N 129 118.294 118.294 121.963 -3.669 19727 5892 1 10 . 1 1 129 129 LYS HA H 129 5.310 5.310 4.166 1.144 19727 5893 1 10 . 1 1 129 129 LYS CA C 129 54.740 54.740 53.272 1.468 19727 5894 1 10 . 1 1 129 129 LYS CB C 129 37.070 37.070 37.129 -0.059 19727 5895 1 10 . 1 1 129 129 LYS H H 129 8.866 8.866 7.186 1.680 19727 5896 1 10 . 1 1 130 130 LYS N N 130 123.147 123.147 119.210 3.937 19727 5897 1 10 . 1 1 130 130 LYS HA H 130 4.090 4.090 4.381 -0.291 19727 5898 1 10 . 1 1 130 130 LYS CA C 130 57.790 57.790 54.311 3.479 19727 5899 1 10 . 1 1 130 130 LYS CB C 130 33.020 33.020 34.120 -1.100 19727 5900 1 10 . 1 1 130 130 LYS H H 130 9.057 9.057 8.027 1.030 19727 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 123 3.229 0.048 3.242 19727 2 1 1 "Average Difference" HA 126 0.466 -0.098 0.457 19727 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19727 4 1 1 "Average Difference" CA 124 1.327 -0.295 1.299 19727 5 1 1 "Average Difference" CB 114 1.335 -0.275 1.312 19727 6 1 1 "Average Difference" HN 123 0.666 -0.271 0.610 19727 7 1 2 "Average Difference" N 123 3.680 -0.108 3.693 19727 8 1 2 "Average Difference" HA 126 0.455 -0.091 0.448 19727 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19727 10 1 2 "Average Difference" CA 124 1.288 -0.393 1.231 19727 11 1 2 "Average Difference" CB 114 1.237 -0.279 1.211 19727 12 1 2 "Average Difference" HN 123 0.613 -0.243 0.565 19727 13 1 3 "Average Difference" N 123 3.123 0.078 3.135 19727 14 1 3 "Average Difference" HA 126 0.472 -0.116 0.459 19727 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19727 16 1 3 "Average Difference" CA 124 1.295 -0.182 1.288 19727 17 1 3 "Average Difference" CB 114 1.404 -0.269 1.384 19727 18 1 3 "Average Difference" HN 123 0.637 -0.281 0.574 19727 19 1 4 "Average Difference" N 123 3.525 -0.218 3.533 19727 20 1 4 "Average Difference" HA 126 0.491 -0.084 0.486 19727 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19727 22 1 4 "Average Difference" CA 124 1.277 -0.243 1.258 19727 23 1 4 "Average Difference" CB 114 1.310 -0.170 1.305 19727 24 1 4 "Average Difference" HN 123 0.634 -0.254 0.583 19727 25 1 5 "Average Difference" N 123 3.090 0.016 3.103 19727 26 1 5 "Average Difference" HA 126 0.483 -0.106 0.473 19727 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19727 28 1 5 "Average Difference" CA 124 1.361 -0.272 1.339 19727 29 1 5 "Average Difference" CB 114 1.311 -0.162 1.307 19727 30 1 5 "Average Difference" HN 123 0.553 -0.190 0.522 19727 31 1 6 "Average Difference" N 123 3.385 0.022 3.399 19727 32 1 6 "Average Difference" HA 126 0.484 -0.080 0.479 19727 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19727 34 1 6 "Average Difference" CA 124 1.356 -0.327 1.322 19727 35 1 6 "Average Difference" CB 114 1.279 -0.212 1.267 19727 36 1 6 "Average Difference" HN 123 0.593 -0.215 0.554 19727 37 1 7 "Average Difference" N 123 3.669 -0.395 3.662 19727 38 1 7 "Average Difference" HA 126 0.491 -0.092 0.485 19727 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19727 40 1 7 "Average Difference" CA 124 1.320 -0.240 1.304 19727 41 1 7 "Average Difference" CB 114 1.306 -0.198 1.296 19727 42 1 7 "Average Difference" HN 123 0.632 -0.230 0.591 19727 43 1 8 "Average Difference" N 123 3.574 -0.252 3.580 19727 44 1 8 "Average Difference" HA 126 0.490 -0.070 0.487 19727 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19727 46 1 8 "Average Difference" CA 124 1.388 -0.299 1.361 19727 47 1 8 "Average Difference" CB 114 1.247 -0.282 1.220 19727 48 1 8 "Average Difference" HN 123 0.618 -0.252 0.567 19727 49 1 9 "Average Difference" N 123 3.318 -0.204 3.325 19727 50 1 9 "Average Difference" HA 126 0.477 -0.090 0.470 19727 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19727 52 1 9 "Average Difference" CA 124 1.315 -0.266 1.293 19727 53 1 9 "Average Difference" CB 114 1.353 -0.217 1.341 19727 54 1 9 "Average Difference" HN 123 0.629 -0.235 0.586 19727 55 1 10 "Average Difference" N 123 3.386 -0.125 3.397 19727 56 1 10 "Average Difference" HA 126 0.489 -0.083 0.484 19727 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19727 58 1 10 "Average Difference" CA 124 1.350 -0.329 1.314 19727 59 1 10 "Average Difference" CB 114 1.330 -0.200 1.320 19727 60 1 10 "Average Difference" HN 123 0.624 -0.239 0.579 19727 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 19727 _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 N N 2 113.067 113.067 119.991 -6.924 19727 2 1 . 1 1 2 2 PHE HA H 2 4.440 4.440 4.762 -0.322 19727 3 1 . 1 1 2 2 PHE CA C 2 59.610 59.610 58.035 1.575 19727 4 1 . 1 1 2 2 PHE CB C 2 39.760 39.760 39.509 0.251 19727 5 1 . 1 1 2 2 PHE H H 2 8.270 8.270 8.308 -0.038 19727 6 1 . 1 1 3 3 ASP N N 3 118.589 118.589 120.166 -1.577 19727 7 1 . 1 1 3 3 ASP HA H 3 4.890 4.890 4.432 0.457 19727 8 1 . 1 1 3 3 ASP CA C 3 55.030 55.030 55.817 -0.787 19727 9 1 . 1 1 3 3 ASP CB C 3 39.460 39.460 40.148 -0.688 19727 10 1 . 1 1 3 3 ASP H H 3 7.554 7.554 8.341 -0.787 19727 11 1 . 1 1 4 4 SER N N 4 120.654 120.654 118.640 2.014 19727 12 1 . 1 1 4 4 SER HA H 4 4.250 4.250 4.670 -0.420 19727 13 1 . 1 1 4 4 SER CA C 4 59.530 59.530 58.273 1.257 19727 14 1 . 1 1 4 4 SER CB C 4 65.300 65.300 65.559 -0.259 19727 15 1 . 1 1 4 4 SER H H 4 8.250 8.250 8.288 -0.038 19727 16 1 . 1 1 5 5 THR N N 5 115.812 115.812 119.473 -3.661 19727 17 1 . 1 1 5 5 THR HA H 5 5.160 5.160 4.619 0.541 19727 18 1 . 1 1 5 5 THR CA C 5 63.480 63.480 63.692 -0.212 19727 19 1 . 1 1 5 5 THR CB C 5 69.630 69.630 69.347 0.283 19727 20 1 . 1 1 5 5 THR H H 5 8.041 8.041 8.652 -0.611 19727 21 1 . 1 1 6 6 TRP N N 6 128.256 128.256 128.190 0.066 19727 22 1 . 1 1 6 6 TRP HA H 6 5.240 5.240 5.355 -0.115 19727 23 1 . 1 1 6 6 TRP CA C 6 55.770 55.770 55.240 0.530 19727 24 1 . 1 1 6 6 TRP CB C 6 32.800 32.800 31.197 1.603 19727 25 1 . 1 1 6 6 TRP H H 6 9.514 9.514 9.124 0.390 19727 26 1 . 1 1 7 7 LYS N N 7 122.895 122.895 123.507 -0.612 19727 27 1 . 1 1 7 7 LYS HA H 7 5.490 5.490 4.984 0.506 19727 28 1 . 1 1 7 7 LYS CA C 7 54.680 54.680 54.825 -0.145 19727 29 1 . 1 1 7 7 LYS CB C 7 35.840 35.840 35.369 0.471 19727 30 1 . 1 1 7 7 LYS H H 7 9.954 9.954 8.713 1.241 19727 31 1 . 1 1 8 8 VAL N N 8 128.078 128.078 126.015 2.063 19727 32 1 . 1 1 8 8 VAL HA H 8 3.280 3.280 4.119 -0.839 19727 33 1 . 1 1 8 8 VAL CA C 8 64.810 64.810 63.846 0.964 19727 34 1 . 1 1 8 8 VAL CB C 8 31.790 31.790 33.090 -1.300 19727 35 1 . 1 1 8 8 VAL H H 8 8.780 8.780 8.102 0.678 19727 36 1 . 1 1 9 9 ASP N N 9 127.565 127.565 128.240 -0.675 19727 37 1 . 1 1 9 9 ASP HA H 9 4.930 4.930 4.660 0.270 19727 38 1 . 1 1 9 9 ASP CA C 9 55.750 55.750 56.099 -0.349 19727 39 1 . 1 1 9 9 ASP CB C 9 46.830 46.830 42.675 4.155 19727 40 1 . 1 1 9 9 ASP H H 9 9.712 9.712 8.290 1.422 19727 41 1 . 1 1 10 10 ARG N N 10 112.578 112.578 116.066 -3.488 19727 42 1 . 1 1 10 10 ARG HA H 10 4.740 4.740 4.543 0.197 19727 43 1 . 1 1 10 10 ARG CA C 10 55.200 55.200 54.743 0.457 19727 44 1 . 1 1 10 10 ARG CB C 10 31.470 31.470 33.018 -1.548 19727 45 1 . 1 1 10 10 ARG H H 10 7.823 7.823 7.584 0.239 19727 46 1 . 1 1 11 11 SER N N 11 113.123 113.123 114.713 -1.590 19727 47 1 . 1 1 11 11 SER HA H 11 5.270 5.270 4.797 0.473 19727 48 1 . 1 1 11 11 SER CA C 11 57.490 57.490 57.106 0.384 19727 49 1 . 1 1 11 11 SER CB C 11 66.620 66.620 66.373 0.247 19727 50 1 . 1 1 11 11 SER H H 11 8.602 8.602 8.148 0.454 19727 51 1 . 1 1 12 12 GLU N N 12 121.867 121.867 121.590 0.277 19727 52 1 . 1 1 12 12 GLU HA H 12 4.760 4.760 4.576 0.184 19727 53 1 . 1 1 12 12 GLU CA C 12 55.420 55.420 55.778 -0.358 19727 54 1 . 1 1 12 12 GLU CB C 12 33.060 33.060 32.448 0.612 19727 55 1 . 1 1 12 12 GLU H H 12 9.447 9.447 8.888 0.559 19727 56 1 . 1 1 13 13 ASN N N 13 121.822 121.822 121.269 0.553 19727 57 1 . 1 1 13 13 ASN HA H 13 4.720 4.720 4.395 0.325 19727 58 1 . 1 1 13 13 ASN CA C 13 54.200 54.200 54.874 -0.674 19727 59 1 . 1 1 13 13 ASN CB C 13 39.870 39.870 37.748 2.122 19727 60 1 . 1 1 13 13 ASN H H 13 9.350 9.350 9.092 0.258 19727 61 1 . 1 1 14 14 TYR N N 14 120.082 120.082 119.021 1.061 19727 62 1 . 1 1 14 14 TYR HA H 14 4.290 4.290 3.870 0.420 19727 63 1 . 1 1 14 14 TYR CA C 14 60.700 60.700 61.515 -0.815 19727 64 1 . 1 1 14 14 TYR CB C 14 39.620 39.620 38.103 1.517 19727 65 1 . 1 1 14 14 TYR H H 14 8.357 8.357 8.343 0.014 19727 66 1 . 1 1 15 15 ASP N N 15 118.245 118.245 118.178 0.067 19727 67 1 . 1 1 15 15 ASP HA H 15 4.060 4.060 4.371 -0.311 19727 68 1 . 1 1 15 15 ASP CA C 15 58.620 58.620 57.527 1.093 19727 69 1 . 1 1 15 15 ASP CB C 15 41.140 41.140 40.253 0.887 19727 70 1 . 1 1 15 15 ASP H H 15 8.562 8.562 8.779 -0.217 19727 71 1 . 1 1 16 16 LYS N N 16 118.806 118.806 119.486 -0.680 19727 72 1 . 1 1 16 16 LYS HA H 16 4.050 4.050 4.120 -0.070 19727 73 1 . 1 1 16 16 LYS CA C 16 58.610 58.610 59.565 -0.955 19727 74 1 . 1 1 16 16 LYS CB C 16 31.550 31.550 32.388 -0.838 19727 75 1 . 1 1 16 16 LYS H H 16 7.801 7.801 7.644 0.157 19727 76 1 . 1 1 17 17 PHE N N 17 120.733 120.733 116.323 4.410 19727 77 1 . 1 1 17 17 PHE HA H 17 4.020 4.020 4.369 -0.348 19727 78 1 . 1 1 17 17 PHE CA C 17 61.620 61.620 59.854 1.766 19727 79 1 . 1 1 17 17 PHE CB C 17 40.250 40.250 38.297 1.953 19727 80 1 . 1 1 17 17 PHE H H 17 7.543 7.543 8.172 -0.629 19727 81 1 . 1 1 18 18 MET N N 18 117.590 117.590 118.044 -0.454 19727 82 1 . 1 1 18 18 MET HA H 18 3.210 3.210 4.209 -0.999 19727 83 1 . 1 1 18 18 MET CA C 18 59.860 59.860 58.074 1.786 19727 84 1 . 1 1 18 18 MET CB C 18 34.110 34.110 31.774 2.336 19727 85 1 . 1 1 18 18 MET H H 18 8.063 8.063 7.805 0.258 19727 86 1 . 1 1 19 19 GLU N N 19 120.480 120.480 120.001 0.479 19727 87 1 . 1 1 19 19 GLU HA H 19 3.830 3.830 4.215 -0.385 19727 88 1 . 1 1 19 19 GLU CA C 19 60.040 60.040 58.391 1.649 19727 89 1 . 1 1 19 19 GLU CB C 19 29.790 29.790 29.252 0.538 19727 90 1 . 1 1 19 19 GLU H H 19 8.430 8.430 8.088 0.342 19727 91 1 . 1 1 20 20 LYS N N 20 122.631 122.631 119.564 3.067 19727 92 1 . 1 1 20 20 LYS HA H 20 4.070 4.070 4.142 -0.072 19727 93 1 . 1 1 20 20 LYS CA C 20 57.400 57.400 58.681 -1.281 19727 94 1 . 1 1 20 20 LYS CB C 20 31.940 31.940 32.627 -0.687 19727 95 1 . 1 1 20 20 LYS H H 20 8.080 8.080 7.891 0.189 19727 96 1 . 1 1 21 21 MET N N 21 114.794 114.794 115.159 -0.365 19727 97 1 . 1 1 21 21 MET HA H 21 3.810 3.810 4.212 -0.402 19727 98 1 . 1 1 21 21 MET CA C 21 56.310 56.310 56.383 -0.073 19727 99 1 . 1 1 21 21 MET CB C 21 32.729 32.729 33.483 -0.754 19727 100 1 . 1 1 21 21 MET H H 21 7.554 7.554 7.591 -0.037 19727 101 1 . 1 1 22 22 GLY N N 22 107.423 107.423 107.009 0.413 19727 102 1 . 1 1 22 22 GLY CA C 22 45.310 45.310 44.927 0.383 19727 103 1 . 1 1 22 22 GLY H H 22 7.718 7.718 7.804 -0.086 19727 104 1 . 1 1 23 23 VAL N N 23 121.380 121.380 119.564 1.816 19727 105 1 . 1 1 23 23 VAL HA H 23 3.770 3.770 4.126 -0.356 19727 106 1 . 1 1 23 23 VAL CA C 23 62.650 62.650 60.917 1.733 19727 107 1 . 1 1 23 23 VAL CB C 23 32.060 32.060 32.250 -0.190 19727 108 1 . 1 1 23 23 VAL H H 23 7.491 7.491 7.877 -0.386 19727 109 1 . 1 1 24 24 ASN N N 24 127.861 127.861 123.617 4.244 19727 110 1 . 1 1 24 24 ASN HA H 24 4.430 4.430 4.552 -0.122 19727 111 1 . 1 1 24 24 ASN CA C 24 54.090 54.090 53.649 0.441 19727 112 1 . 1 1 24 24 ASN CB C 24 39.330 39.330 39.502 -0.172 19727 113 1 . 1 1 24 24 ASN H H 24 8.780 8.780 8.379 0.401 19727 114 1 . 1 1 25 25 ILE N N 25 121.002 121.002 121.974 -0.972 19727 115 1 . 1 1 25 25 ILE HA H 25 3.660 3.660 3.906 -0.246 19727 116 1 . 1 1 25 25 ILE CA C 25 65.350 65.350 63.223 2.127 19727 117 1 . 1 1 25 25 ILE CB C 25 38.910 38.910 38.199 0.711 19727 118 1 . 1 1 25 25 ILE H H 25 8.494 8.494 8.605 -0.111 19727 119 1 . 1 1 26 26 VAL N N 26 121.014 121.014 119.612 1.402 19727 120 1 . 1 1 26 26 VAL HA H 26 3.680 3.680 3.566 0.114 19727 121 1 . 1 1 26 26 VAL CA C 26 66.080 66.080 66.507 -0.427 19727 122 1 . 1 1 26 26 VAL CB C 26 31.930 31.930 31.071 0.860 19727 123 1 . 1 1 26 26 VAL H H 26 7.569 7.569 8.034 -0.465 19727 124 1 . 1 1 27 27 LYS N N 27 118.674 118.674 117.116 1.558 19727 125 1 . 1 1 27 27 LYS HA H 27 4.140 4.140 4.158 -0.018 19727 126 1 . 1 1 27 27 LYS CA C 27 58.240 58.240 58.179 0.061 19727 127 1 . 1 1 27 27 LYS CB C 27 32.610 32.610 32.188 0.422 19727 128 1 . 1 1 27 27 LYS H H 27 7.729 7.729 7.992 -0.263 19727 129 1 . 1 1 28 28 ARG N N 28 119.667 119.667 120.477 -0.810 19727 130 1 . 1 1 28 28 ARG HA H 28 3.740 3.740 4.031 -0.291 19727 131 1 . 1 1 28 28 ARG CA C 28 60.040 60.040 58.127 1.913 19727 132 1 . 1 1 28 28 ARG CB C 28 30.760 30.760 29.523 1.237 19727 133 1 . 1 1 28 28 ARG H H 28 8.418 8.418 7.792 0.626 19727 134 1 . 1 1 29 29 LYS N N 29 118.502 118.502 118.967 -0.465 19727 135 1 . 1 1 29 29 LYS HA H 29 4.040 4.040 3.916 0.124 19727 136 1 . 1 1 29 29 LYS CA C 29 59.460 59.460 59.646 -0.185 19727 137 1 . 1 1 29 29 LYS CB C 29 32.440 32.440 32.108 0.332 19727 138 1 . 1 1 29 29 LYS H H 29 7.611 7.611 8.309 -0.698 19727 139 1 . 1 1 30 30 LEU N N 30 119.200 119.200 115.917 3.283 19727 140 1 . 1 1 30 30 LEU HA H 30 4.170 4.170 4.399 -0.229 19727 141 1 . 1 1 30 30 LEU CA C 30 57.560 57.560 55.760 1.800 19727 142 1 . 1 1 30 30 LEU CB C 30 42.320 42.320 42.402 -0.082 19727 143 1 . 1 1 30 30 LEU H H 30 7.292 7.292 7.410 -0.118 19727 144 1 . 1 1 31 31 ALA N N 31 120.380 120.380 120.828 -0.448 19727 145 1 . 1 1 31 31 ALA HA H 31 4.080 4.080 4.131 -0.051 19727 146 1 . 1 1 31 31 ALA CA C 31 54.370 54.370 53.212 1.158 19727 147 1 . 1 1 31 31 ALA CB C 31 19.300 19.300 18.421 0.879 19727 148 1 . 1 1 31 31 ALA H H 31 8.257 8.257 7.455 0.802 19727 149 1 . 1 1 32 32 ALA N N 32 117.152 117.152 120.160 -3.008 19727 150 1 . 1 1 32 32 ALA HA H 32 4.130 4.130 3.294 0.836 19727 151 1 . 1 1 32 32 ALA CA C 32 54.060 54.060 54.225 -0.165 19727 152 1 . 1 1 32 32 ALA CB C 32 18.710 18.710 18.876 -0.166 19727 153 1 . 1 1 32 32 ALA H H 32 7.320 7.320 7.922 -0.602 19727 154 1 . 1 1 33 33 HIS N N 33 115.869 115.869 109.746 6.123 19727 155 1 . 1 1 33 33 HIS HA H 33 5.000 5.000 4.425 0.575 19727 156 1 . 1 1 33 33 HIS CA C 33 54.200 54.200 56.307 -2.107 19727 157 1 . 1 1 33 33 HIS CB C 33 28.310 28.310 28.969 -0.659 19727 158 1 . 1 1 33 33 HIS H H 33 7.675 7.675 7.583 0.092 19727 159 1 . 1 1 34 34 ASP N N 34 117.892 117.892 122.657 -4.765 19727 160 1 . 1 1 34 34 ASP HA H 34 4.200 4.200 4.286 -0.086 19727 161 1 . 1 1 34 34 ASP CA C 34 54.450 54.450 56.909 -2.459 19727 162 1 . 1 1 34 34 ASP CB C 34 40.740 40.740 40.724 0.017 19727 163 1 . 1 1 34 34 ASP H H 34 7.430 7.430 8.307 -0.877 19727 164 1 . 1 1 35 35 ASN N N 35 118.996 118.996 117.505 1.491 19727 165 1 . 1 1 35 35 ASN HA H 35 4.310 4.310 4.841 -0.531 19727 166 1 . 1 1 35 35 ASN CA C 35 53.650 53.650 52.417 1.233 19727 167 1 . 1 1 35 35 ASN CB C 35 37.760 37.760 38.184 -0.424 19727 168 1 . 1 1 35 35 ASN H H 35 9.086 9.086 8.203 0.883 19727 169 1 . 1 1 36 36 LEU N N 36 118.708 118.708 122.524 -3.816 19727 170 1 . 1 1 36 36 LEU CA C 36 57.330 57.330 54.376 2.954 19727 171 1 . 1 1 36 36 LEU CB C 36 42.810 42.810 44.370 -1.560 19727 172 1 . 1 1 36 36 LEU H H 36 6.914 6.914 7.442 -0.528 19727 173 1 . 1 1 37 37 LYS N N 37 126.148 126.148 127.630 -1.482 19727 174 1 . 1 1 37 37 LYS HA H 37 5.650 5.650 4.892 0.758 19727 175 1 . 1 1 37 37 LYS CA C 37 55.170 55.170 54.477 0.693 19727 176 1 . 1 1 37 37 LYS CB C 37 36.200 36.200 34.320 1.880 19727 177 1 . 1 1 37 37 LYS H H 37 9.246 9.246 8.331 0.915 19727 178 1 . 1 1 38 38 LEU N N 38 122.300 122.300 128.782 -6.482 19727 179 1 . 1 1 38 38 LEU HA H 38 5.550 5.550 4.790 0.760 19727 180 1 . 1 1 38 38 LEU CA C 38 52.870 52.870 53.672 -0.802 19727 181 1 . 1 1 38 38 LEU CB C 38 46.720 46.720 45.084 1.636 19727 182 1 . 1 1 38 38 LEU H H 38 9.324 9.324 9.263 0.061 19727 183 1 . 1 1 39 39 THR N N 39 120.586 120.586 121.789 -1.203 19727 184 1 . 1 1 39 39 THR HA H 39 5.280 5.280 4.911 0.369 19727 185 1 . 1 1 39 39 THR CA C 39 62.950 62.950 61.563 1.387 19727 186 1 . 1 1 39 39 THR CB C 39 70.590 70.590 71.110 -0.520 19727 187 1 . 1 1 39 39 THR H H 39 9.191 9.191 8.082 1.109 19727 188 1 . 1 1 40 40 ILE N N 40 128.371 128.371 123.541 4.830 19727 189 1 . 1 1 40 40 ILE HA H 40 4.860 4.860 4.632 0.228 19727 190 1 . 1 1 40 40 ILE CA C 40 61.570 61.570 59.688 1.882 19727 191 1 . 1 1 40 40 ILE CB C 40 40.060 40.060 40.536 -0.476 19727 192 1 . 1 1 40 40 ILE H H 40 8.531 8.531 8.869 -0.338 19727 193 1 . 1 1 41 41 THR N N 41 120.285 120.285 120.599 -0.314 19727 194 1 . 1 1 41 41 THR HA H 41 4.510 4.510 4.860 -0.350 19727 195 1 . 1 1 41 41 THR CA C 41 60.930 60.930 60.345 0.585 19727 196 1 . 1 1 41 41 THR CB C 41 71.450 71.450 71.105 0.345 19727 197 1 . 1 1 41 41 THR H H 41 8.624 8.624 8.266 0.358 19727 198 1 . 1 1 42 42 GLN N N 42 126.369 126.369 121.785 4.584 19727 199 1 . 1 1 42 42 GLN CA C 42 54.400 54.400 55.794 -1.394 19727 200 1 . 1 1 42 42 GLN CB C 42 30.560 30.560 30.236 0.324 19727 201 1 . 1 1 42 42 GLN H H 42 9.050 9.050 8.549 0.501 19727 202 1 . 1 1 43 43 GLU N N 43 128.036 128.036 125.802 2.234 19727 203 1 . 1 1 43 43 GLU HA H 43 4.400 4.400 4.551 -0.151 19727 204 1 . 1 1 43 43 GLU CA C 43 55.020 55.020 55.967 -0.947 19727 205 1 . 1 1 43 43 GLU CB C 43 31.630 31.630 31.396 0.235 19727 206 1 . 1 1 43 43 GLU H H 43 8.807 8.807 8.609 0.198 19727 207 1 . 1 1 44 44 GLY N N 44 117.000 117.000 114.151 2.849 19727 208 1 . 1 1 44 44 GLY CA C 44 47.460 47.460 46.295 1.165 19727 209 1 . 1 1 44 44 GLY H H 44 9.060 9.060 8.438 0.622 19727 210 1 . 1 1 45 45 ASN N N 45 124.910 124.910 120.284 4.626 19727 211 1 . 1 1 45 45 ASN HA H 45 4.830 4.830 4.578 0.252 19727 212 1 . 1 1 45 45 ASN CA C 45 53.040 53.040 53.091 -0.051 19727 213 1 . 1 1 45 45 ASN CB C 45 39.050 39.050 38.269 0.781 19727 214 1 . 1 1 45 45 ASN H H 45 8.769 8.769 8.572 0.197 19727 215 1 . 1 1 46 46 LYS N N 46 120.293 120.293 119.770 0.523 19727 216 1 . 1 1 46 46 LYS HA H 46 4.890 4.890 4.751 0.139 19727 217 1 . 1 1 46 46 LYS CA C 46 55.760 55.760 55.161 0.599 19727 218 1 . 1 1 46 46 LYS CB C 46 34.610 34.610 35.252 -0.642 19727 219 1 . 1 1 46 46 LYS H H 46 7.873 7.873 7.696 0.177 19727 220 1 . 1 1 47 47 PHE N N 47 127.531 127.531 120.354 7.177 19727 221 1 . 1 1 47 47 PHE HA H 47 4.700 4.700 5.070 -0.370 19727 222 1 . 1 1 47 47 PHE CA C 47 56.450 56.450 54.520 1.930 19727 223 1 . 1 1 47 47 PHE CB C 47 43.050 43.050 42.198 0.852 19727 224 1 . 1 1 47 47 PHE H H 47 9.130 9.130 9.120 0.010 19727 225 1 . 1 1 48 48 THR N N 48 115.162 115.162 118.757 -3.595 19727 226 1 . 1 1 48 48 THR HA H 48 4.770 4.770 4.504 0.266 19727 227 1 . 1 1 48 48 THR CA C 48 62.090 62.090 61.776 0.314 19727 228 1 . 1 1 48 48 THR CB C 48 70.280 70.280 69.498 0.782 19727 229 1 . 1 1 48 48 THR H H 48 8.318 8.318 8.381 -0.063 19727 230 1 . 1 1 49 49 VAL N N 49 127.272 127.272 125.072 2.200 19727 231 1 . 1 1 49 49 VAL HA H 49 4.840 4.840 4.596 0.244 19727 232 1 . 1 1 49 49 VAL CA C 49 61.110 61.110 60.576 0.534 19727 233 1 . 1 1 49 49 VAL CB C 49 34.330 34.330 32.633 1.697 19727 234 1 . 1 1 49 49 VAL H H 49 9.580 9.580 8.282 1.298 19727 235 1 . 1 1 50 50 LYS N N 50 127.439 127.439 128.182 -0.743 19727 236 1 . 1 1 50 50 LYS HA H 50 4.993 4.993 4.550 0.443 19727 237 1 . 1 1 50 50 LYS CA C 50 55.500 55.500 55.158 0.342 19727 238 1 . 1 1 50 50 LYS CB C 50 33.320 33.320 34.161 -0.841 19727 239 1 . 1 1 50 50 LYS H H 50 9.175 9.175 8.642 0.533 19727 240 1 . 1 1 51 51 GLU N N 51 128.140 128.140 126.972 1.168 19727 241 1 . 1 1 51 51 GLU HA H 51 5.090 5.090 5.231 -0.141 19727 242 1 . 1 1 51 51 GLU CA C 51 55.160 55.160 55.333 -0.173 19727 243 1 . 1 1 51 51 GLU CB C 51 31.450 31.450 32.263 -0.813 19727 244 1 . 1 1 51 51 GLU H H 51 9.173 9.173 8.689 0.484 19727 245 1 . 1 1 52 52 SER N N 52 120.997 120.997 120.387 0.610 19727 246 1 . 1 1 52 52 SER CA C 52 56.630 56.630 57.725 -1.095 19727 247 1 . 1 1 52 52 SER CB C 52 65.290 65.290 65.550 -0.260 19727 248 1 . 1 1 52 52 SER H H 52 9.015 9.015 8.286 0.729 19727 249 1 . 1 1 53 53 SER N N 53 117.567 117.567 119.260 -1.693 19727 250 1 . 1 1 53 53 SER CA C 53 56.780 56.780 57.208 -0.428 19727 251 1 . 1 1 53 53 SER CB C 53 68.320 68.320 66.074 2.246 19727 252 1 . 1 1 53 53 SER H H 53 9.013 9.013 8.095 0.918 19727 253 1 . 1 1 54 54 ALA N N 54 119.830 119.830 124.529 -4.699 19727 254 1 . 1 1 54 54 ALA HA H 54 4.030 4.030 4.179 -0.149 19727 255 1 . 1 1 54 54 ALA CA C 54 54.030 54.030 54.413 -0.383 19727 256 1 . 1 1 54 54 ALA CB C 54 18.380 18.380 18.772 -0.392 19727 257 1 . 1 1 54 54 ALA H H 54 9.009 9.009 8.681 0.328 19727 258 1 . 1 1 55 55 PHE N N 55 112.640 112.640 116.211 -3.571 19727 259 1 . 1 1 55 55 PHE H H 55 8.050 8.050 7.788 0.262 19727 260 1 . 1 1 57 57 ASN N N 57 119.170 119.170 117.606 1.564 19727 261 1 . 1 1 57 57 ASN HA H 57 5.840 5.840 4.988 0.852 19727 262 1 . 1 1 57 57 ASN CA C 57 53.190 53.190 52.616 0.574 19727 263 1 . 1 1 57 57 ASN CB C 57 40.990 40.990 40.968 0.021 19727 264 1 . 1 1 57 57 ASN H H 57 8.487 8.487 8.388 0.099 19727 265 1 . 1 1 58 58 ILE N N 58 117.653 117.653 120.645 -2.992 19727 266 1 . 1 1 58 58 ILE HA H 58 4.860 4.860 4.510 0.350 19727 267 1 . 1 1 58 58 ILE CA C 58 60.150 60.150 60.217 -0.067 19727 268 1 . 1 1 58 58 ILE CB C 58 43.590 43.590 42.409 1.181 19727 269 1 . 1 1 58 58 ILE H H 58 8.803 8.803 8.356 0.447 19727 270 1 . 1 1 59 59 GLU N N 59 123.376 123.376 122.706 0.670 19727 271 1 . 1 1 59 59 GLU HA H 59 5.260 5.260 4.778 0.482 19727 272 1 . 1 1 59 59 GLU CA C 59 60.170 60.170 55.622 4.548 19727 273 1 . 1 1 59 59 GLU CB C 59 32.900 32.900 32.827 0.073 19727 274 1 . 1 1 59 59 GLU H H 59 8.519 8.519 8.274 0.245 19727 275 1 . 1 1 60 60 VAL N N 60 127.157 127.157 119.113 8.044 19727 276 1 . 1 1 60 60 VAL HA H 60 4.460 4.460 4.160 0.300 19727 277 1 . 1 1 60 60 VAL CA C 60 61.730 61.730 61.281 0.449 19727 278 1 . 1 1 60 60 VAL CB C 60 35.030 35.030 34.846 0.184 19727 279 1 . 1 1 60 60 VAL H H 60 9.227 9.227 8.585 0.642 19727 280 1 . 1 1 61 61 VAL N N 61 125.109 125.109 124.967 0.142 19727 281 1 . 1 1 61 61 VAL HA H 61 5.160 5.160 4.170 0.990 19727 282 1 . 1 1 61 61 VAL CA C 61 60.350 60.350 62.196 -1.846 19727 283 1 . 1 1 61 61 VAL CB C 61 34.600 34.600 33.072 1.528 19727 284 1 . 1 1 61 61 VAL H H 61 8.179 8.179 8.106 0.073 19727 285 1 . 1 1 62 62 PHE N N 62 121.713 121.713 123.642 -1.929 19727 286 1 . 1 1 62 62 PHE HA H 62 4.840 4.840 4.835 0.005 19727 287 1 . 1 1 62 62 PHE CA C 62 55.320 55.320 55.548 -0.228 19727 288 1 . 1 1 62 62 PHE CB C 62 41.060 41.060 42.417 -1.357 19727 289 1 . 1 1 62 62 PHE H H 62 8.432 8.432 9.082 -0.650 19727 290 1 . 1 1 63 63 GLU N N 63 119.775 119.775 121.888 -2.113 19727 291 1 . 1 1 63 63 GLU HA H 63 5.330 5.330 4.727 0.603 19727 292 1 . 1 1 63 63 GLU CA C 63 53.700 53.700 54.746 -1.046 19727 293 1 . 1 1 63 63 GLU CB C 63 32.720 32.720 33.753 -1.033 19727 294 1 . 1 1 63 63 GLU H H 63 9.386 9.386 8.784 0.602 19727 295 1 . 1 1 64 64 LEU N N 64 124.568 124.568 125.325 -0.757 19727 296 1 . 1 1 64 64 LEU HA H 64 4.530 4.530 4.247 0.283 19727 297 1 . 1 1 64 64 LEU CA C 64 56.770 56.770 55.791 0.979 19727 298 1 . 1 1 64 64 LEU CB C 64 41.390 41.390 40.758 0.632 19727 299 1 . 1 1 64 64 LEU H H 64 8.834 8.834 8.478 0.356 19727 300 1 . 1 1 65 65 GLY N N 65 108.336 108.336 112.961 -4.625 19727 301 1 . 1 1 65 65 GLY CA C 65 46.210 46.210 44.812 1.398 19727 302 1 . 1 1 65 65 GLY H H 65 9.299 9.299 8.698 0.601 19727 303 1 . 1 1 66 66 VAL N N 66 121.972 121.972 119.186 2.786 19727 304 1 . 1 1 66 66 VAL HA H 66 4.380 4.380 4.434 -0.054 19727 305 1 . 1 1 66 66 VAL CA C 66 62.660 62.660 60.169 2.491 19727 306 1 . 1 1 66 66 VAL CB C 66 32.900 32.900 34.830 -1.930 19727 307 1 . 1 1 66 66 VAL H H 66 7.905 7.905 7.725 0.180 19727 308 1 . 1 1 67 67 THR N N 67 129.168 129.168 120.119 9.049 19727 309 1 . 1 1 67 67 THR HA H 67 4.390 4.390 4.515 -0.125 19727 310 1 . 1 1 67 67 THR CA C 67 64.580 64.580 63.542 1.038 19727 311 1 . 1 1 67 67 THR CB C 67 69.140 69.140 69.530 -0.390 19727 312 1 . 1 1 67 67 THR H H 67 8.784 8.784 8.358 0.426 19727 313 1 . 1 1 68 68 PHE N N 68 126.387 126.387 123.655 2.732 19727 314 1 . 1 1 68 68 PHE HA H 68 5.120 5.120 4.541 0.579 19727 315 1 . 1 1 68 68 PHE CA C 68 56.240 56.240 57.136 -0.896 19727 316 1 . 1 1 68 68 PHE CB C 68 41.980 41.980 40.886 1.094 19727 317 1 . 1 1 68 68 PHE H H 68 9.687 9.687 8.526 1.161 19727 318 1 . 1 1 69 69 ASN N N 69 116.298 116.298 120.285 -3.987 19727 319 1 . 1 1 69 69 ASN HA H 69 5.340 5.340 5.037 0.303 19727 320 1 . 1 1 69 69 ASN CA C 69 51.630 51.630 52.975 -1.345 19727 321 1 . 1 1 69 69 ASN CB C 69 40.640 40.640 41.327 -0.687 19727 322 1 . 1 1 69 69 ASN H H 69 8.370 8.370 8.550 -0.180 19727 323 1 . 1 1 70 70 TYR N N 70 120.913 120.913 121.441 -0.528 19727 324 1 . 1 1 70 70 TYR H H 70 8.655 8.655 8.230 0.425 19727 325 1 . 1 1 73 73 ALA HA H 73 3.760 3.760 4.082 -0.322 19727 326 1 . 1 1 73 73 ALA CA C 73 53.600 53.600 54.425 -0.825 19727 327 1 . 1 1 73 73 ALA CB C 73 17.960 17.960 18.826 -0.865 19727 328 1 . 1 1 74 74 ASP N N 74 113.641 113.641 118.166 -4.525 19727 329 1 . 1 1 74 74 ASP CA C 74 52.960 52.960 55.003 -2.043 19727 330 1 . 1 1 74 74 ASP CB C 74 39.210 39.210 40.414 -1.204 19727 331 1 . 1 1 74 74 ASP H H 74 8.575 8.575 8.267 0.308 19727 332 1 . 1 1 75 75 GLY N N 75 107.874 107.874 106.948 0.926 19727 333 1 . 1 1 75 75 GLY CA C 75 44.800 44.800 45.581 -0.781 19727 334 1 . 1 1 75 75 GLY H H 75 7.745 7.745 8.199 -0.454 19727 335 1 . 1 1 76 76 THR N N 76 119.192 119.192 114.715 4.477 19727 336 1 . 1 1 76 76 THR CA C 76 64.980 64.980 62.161 2.819 19727 337 1 . 1 1 76 76 THR CB C 76 68.240 68.240 70.046 -1.806 19727 338 1 . 1 1 76 76 THR H H 76 7.724 7.724 7.777 -0.053 19727 339 1 . 1 1 77 77 GLU N N 77 128.678 128.678 122.366 6.312 19727 340 1 . 1 1 77 77 GLU CA C 77 56.450 56.450 56.222 0.228 19727 341 1 . 1 1 77 77 GLU CB C 77 31.500 31.500 30.499 1.001 19727 342 1 . 1 1 77 77 GLU H H 77 8.468 8.468 8.558 -0.090 19727 343 1 . 1 1 78 78 LEU N N 78 124.431 124.431 124.670 -0.239 19727 344 1 . 1 1 78 78 LEU HA H 78 5.130 5.130 4.924 0.206 19727 345 1 . 1 1 78 78 LEU CA C 78 53.230 53.230 54.301 -1.071 19727 346 1 . 1 1 78 78 LEU CB C 78 45.400 45.400 44.883 0.517 19727 347 1 . 1 1 78 78 LEU H H 78 8.875 8.875 7.996 0.879 19727 348 1 . 1 1 79 79 ARG HA H 79 5.390 5.390 5.231 0.159 19727 349 1 . 1 1 79 79 ARG CA C 79 54.560 54.560 54.885 -0.325 19727 350 1 . 1 1 79 79 ARG CB C 79 33.860 33.860 33.263 0.597 19727 351 1 . 1 1 80 80 GLY N N 80 115.450 115.450 112.119 3.331 19727 352 1 . 1 1 80 80 GLY CA C 80 46.730 46.730 45.236 1.494 19727 353 1 . 1 1 80 80 GLY H H 80 9.026 9.026 8.368 0.658 19727 354 1 . 1 1 81 81 THR N N 81 106.379 106.379 111.594 -5.215 19727 355 1 . 1 1 81 81 THR HA H 81 4.680 4.680 4.933 -0.253 19727 356 1 . 1 1 81 81 THR CA C 81 59.010 59.010 61.051 -2.041 19727 357 1 . 1 1 81 81 THR CB C 81 73.140 73.140 71.351 1.789 19727 358 1 . 1 1 81 81 THR H H 81 6.937 6.937 7.963 -1.026 19727 359 1 . 1 1 82 82 TRP N N 82 120.025 120.025 122.365 -2.340 19727 360 1 . 1 1 82 82 TRP HA H 82 5.350 5.350 4.902 0.448 19727 361 1 . 1 1 82 82 TRP CA C 82 56.400 56.400 56.609 -0.208 19727 362 1 . 1 1 82 82 TRP CB C 82 33.630 33.630 32.589 1.041 19727 363 1 . 1 1 82 82 TRP H H 82 9.126 9.126 8.071 1.055 19727 364 1 . 1 1 83 83 SER N N 83 115.180 115.180 118.612 -3.432 19727 365 1 . 1 1 83 83 SER HA H 83 5.490 5.490 4.659 0.831 19727 366 1 . 1 1 83 83 SER CA C 83 57.080 57.080 56.768 0.312 19727 367 1 . 1 1 83 83 SER CB C 83 65.680 65.680 65.907 -0.227 19727 368 1 . 1 1 83 83 SER H H 83 9.045 9.045 8.466 0.580 19727 369 1 . 1 1 84 84 LEU N N 84 125.420 125.420 124.611 0.809 19727 370 1 . 1 1 84 84 LEU HA H 84 5.200 5.200 4.634 0.566 19727 371 1 . 1 1 84 84 LEU CA C 84 54.600 54.600 54.210 0.389 19727 372 1 . 1 1 84 84 LEU CB C 84 45.130 45.130 44.845 0.285 19727 373 1 . 1 1 84 84 LEU H H 84 8.889 8.889 8.484 0.405 19727 374 1 . 1 1 85 85 GLU N N 85 127.397 127.397 124.908 2.489 19727 375 1 . 1 1 85 85 GLU HA H 85 4.610 4.610 4.544 0.066 19727 376 1 . 1 1 85 85 GLU CA C 85 55.310 55.310 55.233 0.077 19727 377 1 . 1 1 85 85 GLU CB C 85 31.470 31.470 30.320 1.150 19727 378 1 . 1 1 85 85 GLU H H 85 8.964 8.964 8.889 0.075 19727 379 1 . 1 1 86 86 GLY N N 86 117.395 117.395 116.489 0.906 19727 380 1 . 1 1 86 86 GLY CA C 86 47.580 47.580 46.970 0.610 19727 381 1 . 1 1 86 86 GLY H H 86 9.039 9.039 8.747 0.292 19727 382 1 . 1 1 87 87 ASN N N 87 122.457 122.457 123.486 -1.029 19727 383 1 . 1 1 87 87 ASN HA H 87 4.820 4.820 4.993 -0.173 19727 384 1 . 1 1 87 87 ASN CA C 87 53.170 53.170 52.868 0.302 19727 385 1 . 1 1 87 87 ASN CB C 87 38.800 38.800 39.630 -0.830 19727 386 1 . 1 1 87 87 ASN H H 87 8.765 8.765 8.641 0.124 19727 387 1 . 1 1 88 88 LYS N N 88 117.971 117.971 118.781 -0.810 19727 388 1 . 1 1 88 88 LYS HA H 88 4.960 4.960 4.970 -0.010 19727 389 1 . 1 1 88 88 LYS CA C 88 56.000 56.000 55.086 0.914 19727 390 1 . 1 1 88 88 LYS CB C 88 35.580 35.580 36.075 -0.495 19727 391 1 . 1 1 88 88 LYS H H 88 7.986 7.986 7.612 0.374 19727 392 1 . 1 1 89 89 LEU N N 89 122.876 122.876 120.797 2.079 19727 393 1 . 1 1 89 89 LEU HA H 89 5.010 5.010 4.794 0.216 19727 394 1 . 1 1 89 89 LEU CA C 89 53.450 53.450 53.577 -0.127 19727 395 1 . 1 1 89 89 LEU CB C 89 43.856 43.856 43.786 0.070 19727 396 1 . 1 1 89 89 LEU H H 89 8.622 8.622 8.499 0.123 19727 397 1 . 1 1 90 90 ILE N N 90 124.780 124.780 120.965 3.815 19727 398 1 . 1 1 90 90 ILE HA H 90 4.600 4.600 4.812 -0.212 19727 399 1 . 1 1 90 90 ILE CA C 90 60.250 60.250 59.150 1.100 19727 400 1 . 1 1 90 90 ILE CB C 90 38.760 38.760 39.379 -0.619 19727 401 1 . 1 1 90 90 ILE H H 90 9.589 9.589 8.760 0.829 19727 402 1 . 1 1 91 91 GLY N N 91 121.700 121.700 113.183 8.517 19727 403 1 . 1 1 91 91 GLY CA C 91 44.680 44.680 43.628 1.052 19727 404 1 . 1 1 91 91 GLY H H 91 9.620 9.620 8.553 1.067 19727 405 1 . 1 1 92 92 LYS N N 92 127.600 127.600 118.868 8.732 19727 406 1 . 1 1 92 92 LYS HA H 92 4.710 4.710 5.083 -0.373 19727 407 1 . 1 1 92 92 LYS CA C 92 55.450 55.450 55.178 0.272 19727 408 1 . 1 1 92 92 LYS CB C 92 33.530 33.530 36.716 -3.186 19727 409 1 . 1 1 92 92 LYS H H 92 7.730 7.730 8.297 -0.567 19727 410 1 . 1 1 93 93 PHE N N 93 122.003 122.003 120.823 1.180 19727 411 1 . 1 1 93 93 PHE HA H 93 5.200 5.200 4.993 0.207 19727 412 1 . 1 1 93 93 PHE CA C 93 55.960 55.960 56.820 -0.860 19727 413 1 . 1 1 93 93 PHE CB C 93 44.350 44.350 43.876 0.474 19727 414 1 . 1 1 93 93 PHE H H 93 8.443 8.443 8.826 -0.383 19727 415 1 . 1 1 94 94 LYS N N 94 119.319 119.319 118.916 0.403 19727 416 1 . 1 1 94 94 LYS HA H 94 5.050 5.050 5.413 -0.363 19727 417 1 . 1 1 94 94 LYS CA C 94 55.150 55.150 55.135 0.015 19727 418 1 . 1 1 94 94 LYS CB C 94 36.180 36.180 35.902 0.278 19727 419 1 . 1 1 94 94 LYS H H 94 8.803 8.803 8.628 0.175 19727 420 1 . 1 1 95 95 ARG N N 95 122.142 122.142 126.440 -4.298 19727 421 1 . 1 1 95 95 ARG HA H 95 4.760 4.760 4.881 -0.121 19727 422 1 . 1 1 95 95 ARG CA C 95 56.030 56.030 56.556 -0.525 19727 423 1 . 1 1 95 95 ARG CB C 95 31.720 31.720 31.227 0.493 19727 424 1 . 1 1 95 95 ARG H H 95 8.738 8.738 8.593 0.145 19727 425 1 . 1 1 96 96 THR N N 96 117.210 117.210 118.107 -0.897 19727 426 1 . 1 1 96 96 THR HA H 96 4.060 4.060 4.137 -0.077 19727 427 1 . 1 1 96 96 THR CA C 96 64.140 64.140 65.333 -1.193 19727 428 1 . 1 1 96 96 THR CB C 96 68.570 68.570 68.725 -0.155 19727 429 1 . 1 1 96 96 THR H H 96 8.520 8.520 8.650 -0.130 19727 430 1 . 1 1 97 97 ASP N N 97 120.647 120.647 120.264 0.383 19727 431 1 . 1 1 97 97 ASP HA H 97 4.330 4.330 4.428 -0.098 19727 432 1 . 1 1 97 97 ASP CA C 97 56.200 56.200 56.339 -0.139 19727 433 1 . 1 1 97 97 ASP CB C 97 38.860 38.860 41.120 -2.260 19727 434 1 . 1 1 97 97 ASP H H 97 8.932 8.932 8.503 0.429 19727 435 1 . 1 1 98 98 ASN N N 98 116.362 116.362 115.125 1.238 19727 436 1 . 1 1 98 98 ASN HA H 98 4.750 4.750 4.739 0.011 19727 437 1 . 1 1 98 98 ASN CA C 98 51.640 51.640 53.340 -1.700 19727 438 1 . 1 1 98 98 ASN CB C 98 39.340 39.340 39.545 -0.205 19727 439 1 . 1 1 98 98 ASN H H 98 8.614 8.614 7.753 0.861 19727 440 1 . 1 1 99 99 GLY N N 99 107.794 107.794 109.168 -1.374 19727 441 1 . 1 1 99 99 GLY CA C 99 46.300 46.300 46.031 0.269 19727 442 1 . 1 1 99 99 GLY H H 99 7.811 7.811 8.256 -0.445 19727 443 1 . 1 1 100 100 ASN N N 100 118.972 118.972 119.151 -0.179 19727 444 1 . 1 1 100 100 ASN HA H 100 4.690 4.690 4.641 0.049 19727 445 1 . 1 1 100 100 ASN CA C 100 53.210 53.210 53.375 -0.165 19727 446 1 . 1 1 100 100 ASN CB C 100 38.970 38.970 39.967 -0.997 19727 447 1 . 1 1 100 100 ASN H H 100 8.416 8.416 7.930 0.486 19727 448 1 . 1 1 101 101 GLU N N 101 119.642 119.642 121.831 -2.189 19727 449 1 . 1 1 101 101 GLU HA H 101 4.790 4.790 4.381 0.409 19727 450 1 . 1 1 101 101 GLU CA C 101 57.020 57.020 57.114 -0.094 19727 451 1 . 1 1 101 101 GLU CB C 101 31.970 31.970 30.844 1.126 19727 452 1 . 1 1 101 101 GLU H H 101 8.730 8.730 8.424 0.307 19727 453 1 . 1 1 102 102 LEU N N 102 125.033 125.033 126.413 -1.381 19727 454 1 . 1 1 102 102 LEU HA H 102 5.200 5.200 5.416 -0.216 19727 455 1 . 1 1 102 102 LEU CA C 102 55.260 55.260 54.069 1.191 19727 456 1 . 1 1 102 102 LEU CB C 102 45.870 45.870 45.982 -0.112 19727 457 1 . 1 1 102 102 LEU H H 102 8.908 8.908 8.285 0.623 19727 458 1 . 1 1 103 103 ASN N N 103 123.919 123.919 125.742 -1.823 19727 459 1 . 1 1 103 103 ASN HA H 103 5.670 5.670 5.311 0.359 19727 460 1 . 1 1 103 103 ASN CA C 103 52.150 52.150 52.300 -0.150 19727 461 1 . 1 1 103 103 ASN CB C 103 41.970 41.970 41.910 0.060 19727 462 1 . 1 1 103 103 ASN H H 103 8.452 8.452 9.535 -1.083 19727 463 1 . 1 1 104 104 THR N N 104 117.100 117.100 114.095 3.005 19727 464 1 . 1 1 104 104 THR HA H 104 5.530 5.530 4.844 0.686 19727 465 1 . 1 1 104 104 THR CA C 104 58.550 58.550 61.115 -2.565 19727 466 1 . 1 1 104 104 THR CB C 104 70.450 70.450 70.523 -0.073 19727 467 1 . 1 1 104 104 THR H H 104 9.050 9.050 8.723 0.327 19727 468 1 . 1 1 105 105 VAL HA H 105 5.290 5.290 4.372 0.918 19727 469 1 . 1 1 105 105 VAL CA C 105 61.070 61.070 61.074 -0.004 19727 470 1 . 1 1 105 105 VAL CB C 105 36.290 36.290 33.836 2.454 19727 471 1 . 1 1 106 106 ARG N N 106 124.249 124.249 127.299 -3.050 19727 472 1 . 1 1 106 106 ARG CA C 106 54.890 54.890 54.305 0.585 19727 473 1 . 1 1 106 106 ARG CB C 106 33.890 33.890 32.245 1.644 19727 474 1 . 1 1 106 106 ARG H H 106 9.466 9.466 8.822 0.644 19727 475 1 . 1 1 107 107 GLU N N 107 120.784 120.784 124.322 -3.538 19727 476 1 . 1 1 107 107 GLU HA H 107 4.960 4.960 4.802 0.158 19727 477 1 . 1 1 107 107 GLU CA C 107 54.810 54.810 54.134 0.676 19727 478 1 . 1 1 107 107 GLU CB C 107 33.800 33.800 32.975 0.825 19727 479 1 . 1 1 107 107 GLU H H 107 8.605 8.605 8.269 0.336 19727 480 1 . 1 1 108 108 ILE N N 108 124.182 124.182 123.216 0.966 19727 481 1 . 1 1 108 108 ILE HA H 108 4.780 4.780 4.288 0.492 19727 482 1 . 1 1 108 108 ILE CA C 108 59.050 59.050 60.369 -1.319 19727 483 1 . 1 1 108 108 ILE CB C 108 36.670 36.670 35.904 0.766 19727 484 1 . 1 1 108 108 ILE H H 108 8.732 8.732 8.523 0.209 19727 485 1 . 1 1 109 109 ILE N N 109 129.631 129.631 129.582 0.049 19727 486 1 . 1 1 109 109 ILE HA H 109 4.250 4.250 4.085 0.165 19727 487 1 . 1 1 109 109 ILE CA C 109 61.100 61.100 59.831 1.269 19727 488 1 . 1 1 109 109 ILE CB C 109 39.290 39.290 37.675 1.615 19727 489 1 . 1 1 109 109 ILE H H 109 8.903 8.903 8.067 0.837 19727 490 1 . 1 1 110 110 GLY N N 110 119.473 119.473 116.373 3.100 19727 491 1 . 1 1 110 110 GLY CA C 110 47.690 47.690 46.087 1.603 19727 492 1 . 1 1 110 110 GLY H H 110 9.123 9.123 8.290 0.833 19727 493 1 . 1 1 111 111 ASP N N 111 123.998 123.998 124.875 -0.877 19727 494 1 . 1 1 111 111 ASP HA H 111 4.750 4.750 4.687 0.063 19727 495 1 . 1 1 111 111 ASP CA C 111 54.100 54.100 54.439 -0.339 19727 496 1 . 1 1 111 111 ASP CB C 111 41.490 41.490 41.010 0.480 19727 497 1 . 1 1 111 111 ASP H H 111 8.699 8.699 8.591 0.108 19727 498 1 . 1 1 112 112 GLU N N 112 118.194 118.194 116.731 1.463 19727 499 1 . 1 1 112 112 GLU HA H 112 5.150 5.150 4.685 0.465 19727 500 1 . 1 1 112 112 GLU CA C 112 55.560 55.560 54.437 1.123 19727 501 1 . 1 1 112 112 GLU CB C 112 33.200 33.200 33.547 -0.347 19727 502 1 . 1 1 112 112 GLU H H 112 7.924 7.924 7.938 -0.014 19727 503 1 . 1 1 113 113 LEU N N 113 123.501 123.501 120.972 2.529 19727 504 1 . 1 1 113 113 LEU HA H 113 4.400 4.400 5.016 -0.616 19727 505 1 . 1 1 113 113 LEU CA C 113 54.140 54.140 53.804 0.336 19727 506 1 . 1 1 113 113 LEU CB C 113 42.180 42.180 45.334 -3.154 19727 507 1 . 1 1 113 113 LEU H H 113 7.851 7.851 8.344 -0.493 19727 508 1 . 1 1 114 114 VAL N N 114 127.898 127.898 125.801 2.098 19727 509 1 . 1 1 114 114 VAL HA H 114 4.520 4.520 4.594 -0.074 19727 510 1 . 1 1 114 114 VAL CA C 114 62.290 62.290 60.087 2.203 19727 511 1 . 1 1 114 114 VAL CB C 114 33.430 33.430 33.175 0.255 19727 512 1 . 1 1 114 114 VAL H H 114 9.357 9.357 8.701 0.656 19727 513 1 . 1 1 115 115 GLN N N 115 130.218 130.218 129.770 0.448 19727 514 1 . 1 1 115 115 GLN HA H 115 5.710 5.710 5.094 0.616 19727 515 1 . 1 1 115 115 GLN CA C 115 53.930 53.930 54.343 -0.413 19727 516 1 . 1 1 115 115 GLN CB C 115 30.060 30.060 31.560 -1.500 19727 517 1 . 1 1 115 115 GLN H H 115 9.552 9.552 9.198 0.354 19727 518 1 . 1 1 116 116 THR N N 116 121.078 121.078 119.776 1.302 19727 519 1 . 1 1 116 116 THR HA H 116 5.080 5.080 5.049 0.031 19727 520 1 . 1 1 116 116 THR CA C 116 61.800 61.800 61.465 0.335 19727 521 1 . 1 1 116 116 THR CB C 116 70.470 70.470 69.722 0.748 19727 522 1 . 1 1 116 116 THR H H 116 8.832 8.832 8.503 0.329 19727 523 1 . 1 1 117 117 TYR N N 117 125.712 125.712 126.236 -0.524 19727 524 1 . 1 1 117 117 TYR HA H 117 4.950 4.950 5.677 -0.727 19727 525 1 . 1 1 117 117 TYR CA C 117 56.430 56.430 56.085 0.345 19727 526 1 . 1 1 117 117 TYR CB C 117 42.110 42.110 41.748 0.362 19727 527 1 . 1 1 117 117 TYR H H 117 9.440 9.440 9.715 -0.275 19727 528 1 . 1 1 118 118 VAL N N 118 120.314 120.314 119.756 0.558 19727 529 1 . 1 1 118 118 VAL HA H 118 5.350 5.350 5.073 0.277 19727 530 1 . 1 1 118 118 VAL CA C 118 62.170 62.170 60.894 1.276 19727 531 1 . 1 1 118 118 VAL CB C 118 34.810 34.810 35.784 -0.974 19727 532 1 . 1 1 118 118 VAL H H 118 9.026 9.026 9.457 -0.431 19727 533 1 . 1 1 119 119 TYR N N 119 127.564 127.564 128.221 -0.657 19727 534 1 . 1 1 119 119 TYR HA H 119 4.940 4.940 5.326 -0.386 19727 535 1 . 1 1 119 119 TYR CA C 119 58.170 58.170 56.697 1.473 19727 536 1 . 1 1 119 119 TYR CB C 119 43.490 43.490 40.806 2.684 19727 537 1 . 1 1 119 119 TYR H H 119 9.041 9.041 9.317 -0.276 19727 538 1 . 1 1 120 120 GLU N N 120 125.533 125.533 128.220 -2.687 19727 539 1 . 1 1 120 120 GLU HA H 120 3.430 3.430 3.711 -0.282 19727 540 1 . 1 1 120 120 GLU CA C 120 56.140 56.140 57.575 -1.435 19727 541 1 . 1 1 120 120 GLU CB C 120 28.400 28.400 27.633 0.767 19727 542 1 . 1 1 120 120 GLU H H 120 9.509 9.509 8.547 0.962 19727 543 1 . 1 1 121 121 GLY N N 121 102.076 102.076 108.185 -6.109 19727 544 1 . 1 1 121 121 GLY CA C 121 45.480 45.480 45.694 -0.214 19727 545 1 . 1 1 121 121 GLY H H 121 8.374 8.374 8.459 -0.085 19727 546 1 . 1 1 122 122 VAL N N 122 123.797 123.797 122.153 1.644 19727 547 1 . 1 1 122 122 VAL HA H 122 4.190 4.190 4.267 -0.077 19727 548 1 . 1 1 122 122 VAL CA C 122 62.660 62.660 61.498 1.162 19727 549 1 . 1 1 122 122 VAL CB C 122 32.980 32.980 33.130 -0.150 19727 550 1 . 1 1 122 122 VAL H H 122 8.371 8.371 7.732 0.639 19727 551 1 . 1 1 123 123 GLU N N 123 126.257 126.257 126.972 -0.715 19727 552 1 . 1 1 123 123 GLU HA H 123 5.670 5.670 5.342 0.328 19727 553 1 . 1 1 123 123 GLU CA C 123 54.010 54.010 55.653 -1.643 19727 554 1 . 1 1 123 123 GLU CB C 123 32.850 32.850 32.985 -0.135 19727 555 1 . 1 1 123 123 GLU H H 123 8.511 8.511 8.893 -0.382 19727 556 1 . 1 1 124 124 ALA N N 124 126.354 126.354 129.106 -2.752 19727 557 1 . 1 1 124 124 ALA HA H 124 5.150 5.150 4.866 0.284 19727 558 1 . 1 1 124 124 ALA CA C 124 50.860 50.860 50.515 0.345 19727 559 1 . 1 1 124 124 ALA CB C 124 24.060 24.060 21.919 2.141 19727 560 1 . 1 1 124 124 ALA H H 124 9.258 9.258 9.233 0.025 19727 561 1 . 1 1 125 125 LYS N N 125 115.989 115.989 122.812 -6.824 19727 562 1 . 1 1 125 125 LYS HA H 125 5.760 5.760 5.417 0.343 19727 563 1 . 1 1 125 125 LYS CA C 125 55.130 55.130 54.688 0.442 19727 564 1 . 1 1 125 125 LYS CB C 125 38.130 38.130 36.278 1.852 19727 565 1 . 1 1 125 125 LYS H H 125 8.847 8.847 8.654 0.193 19727 566 1 . 1 1 126 126 ARG N N 126 120.557 120.557 121.964 -1.407 19727 567 1 . 1 1 126 126 ARG HA H 126 4.750 4.750 4.735 0.015 19727 568 1 . 1 1 126 126 ARG CA C 126 56.940 56.940 55.867 1.073 19727 569 1 . 1 1 126 126 ARG CB C 126 34.040 34.040 33.387 0.653 19727 570 1 . 1 1 126 126 ARG H H 126 9.241 9.241 9.136 0.105 19727 571 1 . 1 1 127 127 ILE N N 127 122.970 122.970 126.731 -3.762 19727 572 1 . 1 1 127 127 ILE HA H 127 5.020 5.020 4.751 0.269 19727 573 1 . 1 1 127 127 ILE CA C 127 61.670 61.670 59.981 1.689 19727 574 1 . 1 1 127 127 ILE CB C 127 40.200 40.200 37.962 2.238 19727 575 1 . 1 1 127 127 ILE H H 127 8.785 8.785 8.272 0.513 19727 576 1 . 1 1 128 128 PHE N N 128 126.381 126.381 127.763 -1.382 19727 577 1 . 1 1 128 128 PHE HA H 128 5.260 5.260 4.871 0.389 19727 578 1 . 1 1 128 128 PHE CA C 128 56.050 56.050 56.380 -0.330 19727 579 1 . 1 1 128 128 PHE CB C 128 42.730 42.730 43.251 -0.521 19727 580 1 . 1 1 128 128 PHE H H 128 10.070 10.070 8.977 1.093 19727 581 1 . 1 1 129 129 LYS N N 129 118.294 118.294 122.035 -3.741 19727 582 1 . 1 1 129 129 LYS HA H 129 5.310 5.310 4.170 1.140 19727 583 1 . 1 1 129 129 LYS CA C 129 54.740 54.740 53.790 0.950 19727 584 1 . 1 1 129 129 LYS CB C 129 37.070 37.070 36.877 0.193 19727 585 1 . 1 1 129 129 LYS H H 129 8.866 8.866 7.200 1.666 19727 586 1 . 1 1 130 130 LYS N N 130 123.147 123.147 119.301 3.846 19727 587 1 . 1 1 130 130 LYS HA H 130 4.090 4.090 4.323 -0.233 19727 588 1 . 1 1 130 130 LYS CA C 130 57.790 57.790 54.403 3.387 19727 589 1 . 1 1 130 130 LYS CB C 130 33.020 33.020 34.198 -1.178 19727 590 1 . 1 1 130 130 LYS H H 130 9.057 9.057 8.064 0.993 19727 stop_ save_