data_19906 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19906 _Entry.PDB_ID 2MNU 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 19906 _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 4 4 SER HA H 4 4.400 4.400 4.669 -0.269 19906 2 1 1 . 1 1 4 4 SER CA C 4 58.290 58.290 57.572 0.718 19906 3 1 1 . 1 1 4 4 SER CB C 4 63.790 63.790 64.595 -0.805 19906 4 1 1 . 1 1 5 5 GLU N N 5 121.960 121.960 122.103 -0.143 19906 5 1 1 . 1 1 5 5 GLU HA H 5 4.410 4.410 4.528 -0.118 19906 6 1 1 . 1 1 5 5 GLU CA C 5 55.610 55.610 56.908 -1.298 19906 7 1 1 . 1 1 5 5 GLU CB C 5 31.950 31.950 28.646 3.304 19906 8 1 1 . 1 1 5 5 GLU H H 5 8.450 8.450 8.466 -0.017 19906 9 1 1 . 1 1 6 6 VAL N N 6 122.170 122.170 120.779 1.391 19906 10 1 1 . 1 1 6 6 VAL HA H 6 4.070 4.070 4.492 -0.422 19906 11 1 1 . 1 1 6 6 VAL CA C 6 56.380 56.380 59.206 -2.826 19906 12 1 1 . 1 1 6 6 VAL CB C 6 29.500 29.500 32.418 -2.918 19906 13 1 1 . 1 1 6 6 VAL H H 6 8.260 8.260 7.758 0.502 19906 14 1 1 . 1 1 9 9 LEU N N 9 123.830 123.830 122.013 1.817 19906 15 1 1 . 1 1 9 9 LEU HA H 9 4.490 4.490 4.374 0.116 19906 16 1 1 . 1 1 9 9 LEU CA C 9 54.820 54.820 54.812 0.008 19906 17 1 1 . 1 1 9 9 LEU CB C 9 41.930 41.930 41.575 0.355 19906 18 1 1 . 1 1 9 9 LEU H H 9 7.770 7.770 8.361 -0.591 19906 19 1 1 . 1 1 11 11 ASP HA H 11 4.730 4.730 4.776 -0.046 19906 20 1 1 . 1 1 11 11 ASP CA C 11 53.060 53.060 53.692 -0.632 19906 21 1 1 . 1 1 11 11 ASP CB C 11 38.110 38.110 41.781 -3.671 19906 22 1 1 . 1 1 12 12 LEU N N 12 122.730 122.730 121.892 0.838 19906 23 1 1 . 1 1 12 12 LEU HA H 12 4.660 4.660 4.182 0.478 19906 24 1 1 . 1 1 12 12 LEU CA C 12 55.130 55.130 55.746 -0.616 19906 25 1 1 . 1 1 12 12 LEU CB C 12 43.390 43.390 42.188 1.202 19906 26 1 1 . 1 1 12 12 LEU H H 12 7.420 7.420 8.444 -1.024 19906 27 1 1 . 1 1 13 13 SER N N 13 120.760 120.760 115.884 4.876 19906 28 1 1 . 1 1 13 13 SER HA H 13 4.270 4.270 4.768 -0.498 19906 29 1 1 . 1 1 13 13 SER CA C 13 56.880 56.880 57.643 -0.763 19906 30 1 1 . 1 1 13 13 SER CB C 13 65.890 65.890 65.766 0.123 19906 31 1 1 . 1 1 13 13 SER H H 13 9.020 9.020 8.059 0.961 19906 32 1 1 . 1 1 14 14 PHE N N 14 119.920 119.920 120.362 -0.442 19906 33 1 1 . 1 1 14 14 PHE HA H 14 5.510 5.510 4.921 0.589 19906 34 1 1 . 1 1 14 14 PHE CA C 14 56.760 56.760 56.968 -0.208 19906 35 1 1 . 1 1 14 14 PHE CB C 14 39.930 39.930 41.438 -1.508 19906 36 1 1 . 1 1 14 14 PHE H H 14 8.370 8.370 8.514 -0.144 19906 37 1 1 . 1 1 15 15 VAL N N 15 117.820 117.820 117.657 0.163 19906 38 1 1 . 1 1 15 15 VAL HA H 15 4.680 4.680 4.464 0.216 19906 39 1 1 . 1 1 15 15 VAL CA C 15 58.880 58.880 60.270 -1.389 19906 40 1 1 . 1 1 15 15 VAL CB C 15 36.900 36.900 34.766 2.134 19906 41 1 1 . 1 1 15 15 VAL H H 15 9.100 9.100 8.466 0.634 19906 42 1 1 . 1 1 16 16 ASP N N 16 116.850 116.850 119.290 -2.440 19906 43 1 1 . 1 1 16 16 ASP HA H 16 4.190 4.190 4.264 -0.074 19906 44 1 1 . 1 1 16 16 ASP CA C 16 54.550 54.550 55.561 -1.011 19906 45 1 1 . 1 1 16 16 ASP CB C 16 38.920 38.920 39.257 -0.337 19906 46 1 1 . 1 1 16 16 ASP H H 16 8.520 8.520 8.653 -0.133 19906 47 1 1 . 1 1 17 17 ILE N N 17 118.600 118.600 119.905 -1.305 19906 48 1 1 . 1 1 17 17 ILE HA H 17 4.150 4.150 4.115 0.035 19906 49 1 1 . 1 1 17 17 ILE CA C 17 63.190 63.190 61.664 1.526 19906 50 1 1 . 1 1 17 17 ILE CB C 17 37.770 37.770 39.244 -1.474 19906 51 1 1 . 1 1 17 17 ILE H H 17 8.150 8.150 7.955 0.195 19906 52 1 1 . 1 1 18 18 THR N N 18 122.160 122.160 121.529 0.631 19906 53 1 1 . 1 1 18 18 THR HA H 18 4.910 4.910 4.606 0.304 19906 54 1 1 . 1 1 18 18 THR CA C 18 60.570 60.570 60.517 0.053 19906 55 1 1 . 1 1 18 18 THR CB C 18 70.600 70.600 70.546 0.054 19906 56 1 1 . 1 1 18 18 THR H H 18 8.740 8.740 8.423 0.317 19906 57 1 1 . 1 1 19 19 ASP N N 19 115.600 115.600 121.126 -5.526 19906 58 1 1 . 1 1 19 19 ASP HA H 19 4.480 4.480 4.590 -0.110 19906 59 1 1 . 1 1 19 19 ASP CA C 19 54.880 54.880 55.425 -0.545 19906 60 1 1 . 1 1 19 19 ASP CB C 19 40.430 40.430 40.233 0.197 19906 61 1 1 . 1 1 19 19 ASP H H 19 8.450 8.450 8.610 -0.160 19906 62 1 1 . 1 1 20 20 SER N N 20 108.500 108.500 113.221 -4.721 19906 63 1 1 . 1 1 20 20 SER HA H 20 4.620 4.620 4.540 0.080 19906 64 1 1 . 1 1 20 20 SER CA C 20 57.660 57.660 57.892 -0.232 19906 65 1 1 . 1 1 20 20 SER CB C 20 66.090 66.090 63.610 2.480 19906 66 1 1 . 1 1 20 20 SER H H 20 8.120 8.120 8.116 0.004 19906 67 1 1 . 1 1 21 21 SER N N 21 116.590 116.590 112.804 3.786 19906 68 1 1 . 1 1 21 21 SER HA H 21 5.230 5.230 5.317 -0.087 19906 69 1 1 . 1 1 21 21 SER CA C 21 56.730 56.730 57.041 -0.311 19906 70 1 1 . 1 1 21 21 SER CB C 21 66.730 66.730 66.368 0.363 19906 71 1 1 . 1 1 21 21 SER H H 21 7.530 7.530 7.479 0.051 19906 72 1 1 . 1 1 22 22 ILE N N 22 113.850 113.850 115.227 -1.377 19906 73 1 1 . 1 1 22 22 ILE HA H 22 4.490 4.490 4.982 -0.492 19906 74 1 1 . 1 1 22 22 ILE CA C 22 60.320 60.320 59.665 0.655 19906 75 1 1 . 1 1 22 22 ILE CB C 22 42.650 42.650 42.243 0.407 19906 76 1 1 . 1 1 22 22 ILE H H 22 8.210 8.210 8.052 0.158 19906 77 1 1 . 1 1 23 23 GLY N N 23 112.950 112.950 111.951 0.999 19906 78 1 1 . 1 1 23 23 GLY CA C 23 44.110 44.110 44.093 0.017 19906 79 1 1 . 1 1 23 23 GLY H H 23 8.300 8.300 8.460 -0.160 19906 80 1 1 . 1 1 24 24 LEU N N 24 123.740 123.740 125.750 -2.010 19906 81 1 1 . 1 1 24 24 LEU HA H 24 4.820 4.820 4.263 0.557 19906 82 1 1 . 1 1 24 24 LEU CA C 24 53.930 53.930 55.457 -1.527 19906 83 1 1 . 1 1 24 24 LEU CB C 24 42.470 42.470 42.386 0.084 19906 84 1 1 . 1 1 24 24 LEU H H 24 8.820 8.820 7.750 1.070 19906 85 1 1 . 1 1 25 25 ARG N N 25 119.980 119.980 124.430 -4.450 19906 86 1 1 . 1 1 25 25 ARG HA H 25 4.890 4.890 4.712 0.178 19906 87 1 1 . 1 1 25 25 ARG CA C 25 54.040 54.040 54.973 -0.933 19906 88 1 1 . 1 1 25 25 ARG CB C 25 33.850 33.850 34.156 -0.306 19906 89 1 1 . 1 1 25 25 ARG H H 25 8.570 8.570 7.997 0.573 19906 90 1 1 . 1 1 26 26 TRP N N 26 122.480 122.480 124.600 -2.120 19906 91 1 1 . 1 1 26 26 TRP HA H 26 4.840 4.840 5.041 -0.201 19906 92 1 1 . 1 1 26 26 TRP CA C 26 56.790 56.790 55.982 0.808 19906 93 1 1 . 1 1 26 26 TRP CB C 26 31.460 31.460 31.203 0.257 19906 94 1 1 . 1 1 26 26 TRP H H 26 7.960 7.960 8.069 -0.109 19906 95 1 1 . 1 1 27 27 THR N N 27 119.820 119.820 118.328 1.492 19906 96 1 1 . 1 1 27 27 THR HA H 27 4.750 4.750 4.574 0.176 19906 97 1 1 . 1 1 27 27 THR CA C 27 60.690 60.690 59.898 0.792 19906 98 1 1 . 1 1 27 27 THR CB C 27 68.460 68.460 68.897 -0.437 19906 99 1 1 . 1 1 27 27 THR H H 27 9.780 9.780 8.434 1.346 19906 100 1 1 . 1 1 28 28 PRO HA H 28 4.470 4.470 4.436 0.034 19906 101 1 1 . 1 1 28 28 PRO CA C 28 63.260 63.260 63.163 0.097 19906 102 1 1 . 1 1 28 28 PRO CB C 28 31.980 31.980 32.287 -0.307 19906 103 1 1 . 1 1 29 29 LEU N N 29 124.220 124.220 121.608 2.612 19906 104 1 1 . 1 1 29 29 LEU HA H 29 4.490 4.490 4.484 0.006 19906 105 1 1 . 1 1 29 29 LEU CA C 29 54.150 54.150 54.553 -0.403 19906 106 1 1 . 1 1 29 29 LEU CB C 29 43.040 43.040 42.189 0.851 19906 107 1 1 . 1 1 29 29 LEU H H 29 8.570 8.570 8.372 0.198 19906 108 1 1 . 1 1 30 30 ASN N N 30 119.950 119.950 122.588 -2.638 19906 109 1 1 . 1 1 30 30 ASN HA H 30 4.700 4.700 4.429 0.271 19906 110 1 1 . 1 1 30 30 ASN CA C 30 53.570 53.570 55.710 -2.140 19906 111 1 1 . 1 1 30 30 ASN CB C 30 38.340 38.340 38.688 -0.348 19906 112 1 1 . 1 1 30 30 ASN H H 30 8.630 8.630 8.945 -0.315 19906 113 1 1 . 1 1 31 31 SER N N 31 114.290 114.290 113.365 0.925 19906 114 1 1 . 1 1 31 31 SER HA H 31 4.560 4.560 4.449 0.111 19906 115 1 1 . 1 1 31 31 SER CA C 31 57.500 57.500 58.712 -1.212 19906 116 1 1 . 1 1 31 31 SER CB C 31 63.480 63.480 63.600 -0.120 19906 117 1 1 . 1 1 31 31 SER H H 31 8.090 8.090 7.978 0.112 19906 118 1 1 . 1 1 32 32 SER HA H 32 4.560 4.560 4.453 0.107 19906 119 1 1 . 1 1 32 32 SER CA C 32 58.140 58.140 59.197 -1.057 19906 120 1 1 . 1 1 32 32 SER CB C 32 63.730 63.730 63.885 -0.155 19906 121 1 1 . 1 1 33 33 THR N N 33 114.160 114.160 118.956 -4.796 19906 122 1 1 . 1 1 33 33 THR HA H 33 4.300 4.300 4.152 0.148 19906 123 1 1 . 1 1 33 33 THR CA C 33 63.620 63.620 63.361 0.259 19906 124 1 1 . 1 1 33 33 THR CB C 33 69.530 69.530 69.376 0.154 19906 125 1 1 . 1 1 33 33 THR H H 33 8.000 8.000 8.190 -0.190 19906 126 1 1 . 1 1 34 34 ILE N N 34 121.090 121.090 126.181 -5.091 19906 127 1 1 . 1 1 34 34 ILE HA H 34 4.300 4.300 4.259 0.041 19906 128 1 1 . 1 1 34 34 ILE CA C 34 61.920 61.920 59.606 2.314 19906 129 1 1 . 1 1 34 34 ILE CB C 34 38.080 38.080 35.670 2.410 19906 130 1 1 . 1 1 34 34 ILE H H 34 7.980 7.980 8.589 -0.609 19906 131 1 1 . 1 1 35 35 ILE N N 35 126.230 126.230 121.887 4.343 19906 132 1 1 . 1 1 35 35 ILE HA H 35 4.220 4.220 4.501 -0.281 19906 133 1 1 . 1 1 35 35 ILE CA C 35 61.720 61.720 58.757 2.963 19906 134 1 1 . 1 1 35 35 ILE CB C 35 38.790 38.790 41.768 -2.978 19906 135 1 1 . 1 1 35 35 ILE H H 35 8.810 8.810 7.544 1.266 19906 136 1 1 . 1 1 36 36 GLY CA C 36 45.520 45.520 45.553 -0.033 19906 137 1 1 . 1 1 37 37 TYR N N 37 120.400 120.400 123.764 -3.364 19906 138 1 1 . 1 1 37 37 TYR HA H 37 5.070 5.070 4.622 0.448 19906 139 1 1 . 1 1 37 37 TYR CA C 37 57.930 57.930 57.404 0.526 19906 140 1 1 . 1 1 37 37 TYR CB C 37 38.950 38.950 41.722 -2.772 19906 141 1 1 . 1 1 37 37 TYR H H 37 7.340 7.340 8.485 -1.145 19906 142 1 1 . 1 1 38 38 ARG HA H 38 5.150 5.150 4.870 0.280 19906 143 1 1 . 1 1 38 38 ARG CA C 38 54.450 54.450 54.233 0.217 19906 144 1 1 . 1 1 38 38 ARG CB C 38 31.530 31.530 32.883 -1.353 19906 145 1 1 . 1 1 39 39 ILE N N 39 129.570 129.570 124.494 5.076 19906 146 1 1 . 1 1 39 39 ILE HA H 39 5.060 5.060 4.477 0.583 19906 147 1 1 . 1 1 39 39 ILE CA C 39 60.030 60.030 60.197 -0.167 19906 148 1 1 . 1 1 39 39 ILE CB C 39 40.780 40.780 38.458 2.322 19906 149 1 1 . 1 1 39 39 ILE H H 39 9.040 9.040 8.162 0.878 19906 150 1 1 . 1 1 40 40 THR N N 40 120.430 120.430 123.551 -3.121 19906 151 1 1 . 1 1 40 40 THR HA H 40 5.210 5.210 4.584 0.626 19906 152 1 1 . 1 1 40 40 THR CA C 40 61.130 61.130 61.740 -0.610 19906 153 1 1 . 1 1 40 40 THR CB C 40 71.090 71.090 70.506 0.584 19906 154 1 1 . 1 1 40 40 THR H H 40 8.880 8.880 8.011 0.869 19906 155 1 1 . 1 1 41 41 VAL HA H 41 5.030 5.030 4.535 0.495 19906 156 1 1 . 1 1 41 41 VAL CA C 41 61.280 61.280 59.959 1.321 19906 157 1 1 . 1 1 41 41 VAL CB C 41 33.800 33.800 34.850 -1.050 19906 158 1 1 . 1 1 41 41 VAL H H 41 8.820 8.820 8.368 0.452 19906 159 1 1 . 1 1 42 42 VAL N N 42 127.670 127.670 127.195 0.475 19906 160 1 1 . 1 1 42 42 VAL HA H 42 4.650 4.650 4.324 0.326 19906 161 1 1 . 1 1 42 42 VAL CA C 42 60.320 60.320 60.491 -0.171 19906 162 1 1 . 1 1 42 42 VAL CB C 42 35.800 35.800 36.483 -0.683 19906 163 1 1 . 1 1 42 42 VAL H H 42 9.100 9.100 9.355 -0.255 19906 164 1 1 . 1 1 43 43 ALA N N 43 131.340 131.340 128.815 2.525 19906 165 1 1 . 1 1 43 43 ALA HA H 43 4.410 4.410 3.969 0.441 19906 166 1 1 . 1 1 43 43 ALA CA C 43 52.420 52.420 50.585 1.835 19906 167 1 1 . 1 1 43 43 ALA CB C 43 18.750 18.750 19.805 -1.055 19906 168 1 1 . 1 1 43 43 ALA H H 43 9.420 9.420 8.391 1.029 19906 169 1 1 . 1 1 44 44 ALA N N 44 126.040 126.040 125.265 0.775 19906 170 1 1 . 1 1 44 44 ALA HA H 44 4.120 4.120 4.372 -0.252 19906 171 1 1 . 1 1 44 44 ALA CA C 44 53.790 53.790 52.768 1.022 19906 172 1 1 . 1 1 44 44 ALA CB C 44 18.680 18.680 19.736 -1.056 19906 173 1 1 . 1 1 44 44 ALA H H 44 8.260 8.260 7.766 0.494 19906 174 1 1 . 1 1 45 45 GLY CA C 45 45.620 45.620 44.944 0.676 19906 175 1 1 . 1 1 45 45 GLY H H 45 8.700 8.700 8.341 0.359 19906 176 1 1 . 1 1 46 46 GLU N N 46 119.650 119.650 118.400 1.250 19906 177 1 1 . 1 1 46 46 GLU HA H 46 4.470 4.470 4.409 0.061 19906 178 1 1 . 1 1 46 46 GLU CA C 46 55.870 55.870 55.339 0.531 19906 179 1 1 . 1 1 46 46 GLU CB C 46 30.520 30.520 31.864 -1.344 19906 180 1 1 . 1 1 46 46 GLU H H 46 8.110 8.110 7.307 0.803 19906 181 1 1 . 1 1 47 47 GLY N N 47 107.160 107.160 109.606 -2.446 19906 182 1 1 . 1 1 47 47 GLY CA C 47 45.910 45.910 45.779 0.131 19906 183 1 1 . 1 1 47 47 GLY H H 47 8.400 8.400 8.661 -0.261 19906 184 1 1 . 1 1 48 48 ILE N N 48 120.010 120.010 120.789 -0.779 19906 185 1 1 . 1 1 48 48 ILE HA H 48 4.620 4.620 4.353 0.267 19906 186 1 1 . 1 1 48 48 ILE CA C 48 58.500 58.500 57.836 0.664 19906 187 1 1 . 1 1 48 48 ILE CB C 48 39.400 39.400 41.380 -1.980 19906 188 1 1 . 1 1 48 48 ILE H H 48 7.440 7.440 7.434 0.006 19906 189 1 1 . 1 1 49 49 PRO HA H 49 4.530 4.530 4.487 0.043 19906 190 1 1 . 1 1 49 49 PRO CA C 49 63.590 63.590 62.129 1.461 19906 191 1 1 . 1 1 49 49 PRO CB C 49 31.880 31.880 32.253 -0.373 19906 192 1 1 . 1 1 50 50 ILE N N 50 122.120 122.120 119.993 2.127 19906 193 1 1 . 1 1 50 50 ILE HA H 50 4.150 4.150 3.989 0.162 19906 194 1 1 . 1 1 50 50 ILE CA C 50 63.310 63.310 61.663 1.647 19906 195 1 1 . 1 1 50 50 ILE CB C 50 38.020 38.020 38.611 -0.591 19906 196 1 1 . 1 1 50 50 ILE H H 50 8.720 8.720 8.167 0.553 19906 197 1 1 . 1 1 51 51 PHE HA H 51 4.770 4.770 4.540 0.230 19906 198 1 1 . 1 1 51 51 PHE CA C 51 57.900 57.900 58.106 -0.206 19906 199 1 1 . 1 1 51 51 PHE CB C 51 41.870 41.870 39.523 2.348 19906 200 1 1 . 1 1 52 52 GLU HA H 52 5.350 5.350 4.294 1.056 19906 201 1 1 . 1 1 52 52 GLU CA C 52 55.140 55.140 55.905 -0.765 19906 202 1 1 . 1 1 52 52 GLU CB C 52 32.030 32.030 30.726 1.304 19906 203 1 1 . 1 1 53 53 ASP N N 53 122.750 122.750 118.861 3.889 19906 204 1 1 . 1 1 53 53 ASP HA H 53 5.000 5.000 4.808 0.192 19906 205 1 1 . 1 1 53 53 ASP CA C 53 52.950 52.950 53.369 -0.419 19906 206 1 1 . 1 1 53 53 ASP CB C 53 44.770 44.770 44.158 0.612 19906 207 1 1 . 1 1 53 53 ASP H H 53 8.850 8.850 7.735 1.115 19906 208 1 1 . 1 1 54 54 PHE N N 54 121.100 121.100 120.642 0.458 19906 209 1 1 . 1 1 54 54 PHE HA H 54 5.380 5.380 5.297 0.083 19906 210 1 1 . 1 1 54 54 PHE CA C 54 56.180 56.180 57.069 -0.889 19906 211 1 1 . 1 1 54 54 PHE CB C 54 42.110 42.110 40.771 1.339 19906 212 1 1 . 1 1 54 54 PHE H H 54 8.770 8.770 8.622 0.148 19906 213 1 1 . 1 1 55 55 VAL N N 55 125.760 125.760 124.551 1.209 19906 214 1 1 . 1 1 55 55 VAL HA H 55 4.320 4.320 4.414 -0.094 19906 215 1 1 . 1 1 55 55 VAL CA C 55 59.140 59.140 59.486 -0.346 19906 216 1 1 . 1 1 55 55 VAL CB C 55 34.940 34.940 36.445 -1.505 19906 217 1 1 . 1 1 55 55 VAL H H 55 8.290 8.290 8.732 -0.442 19906 218 1 1 . 1 1 56 56 ASP N N 56 127.100 127.100 128.096 -0.996 19906 219 1 1 . 1 1 56 56 ASP HA H 56 4.560 4.560 4.524 0.036 19906 220 1 1 . 1 1 56 56 ASP CA C 56 54.980 54.980 54.953 0.027 19906 221 1 1 . 1 1 56 56 ASP CB C 56 42.730 42.730 41.404 1.326 19906 222 1 1 . 1 1 56 56 ASP H H 56 8.460 8.460 8.600 -0.140 19906 223 1 1 . 1 1 57 57 SER N N 57 119.630 119.630 116.284 3.346 19906 224 1 1 . 1 1 57 57 SER HA H 57 4.330 4.330 4.503 -0.173 19906 225 1 1 . 1 1 57 57 SER CA C 57 60.630 60.630 61.379 -0.749 19906 226 1 1 . 1 1 57 57 SER CB C 57 62.680 62.680 63.327 -0.647 19906 227 1 1 . 1 1 57 57 SER H H 57 8.260 8.260 8.582 -0.322 19906 228 1 1 . 1 1 58 58 SER N N 58 117.030 117.030 115.095 1.935 19906 229 1 1 . 1 1 58 58 SER HA H 58 4.400 4.400 4.319 0.081 19906 230 1 1 . 1 1 58 58 SER CA C 58 60.430 60.430 60.513 -0.083 19906 231 1 1 . 1 1 58 58 SER CB C 58 63.700 63.700 63.153 0.547 19906 232 1 1 . 1 1 58 58 SER H H 58 9.080 9.080 8.224 0.856 19906 233 1 1 . 1 1 59 59 VAL N N 59 119.350 119.350 120.601 -1.251 19906 234 1 1 . 1 1 59 59 VAL HA H 59 3.790 3.790 3.843 -0.053 19906 235 1 1 . 1 1 59 59 VAL CA C 59 65.670 65.670 60.125 5.545 19906 236 1 1 . 1 1 59 59 VAL CB C 59 32.400 32.400 29.272 3.128 19906 237 1 1 . 1 1 59 59 VAL H H 59 7.570 7.570 7.271 0.299 19906 238 1 1 . 1 1 60 60 GLY N N 60 104.070 104.070 109.993 -5.923 19906 239 1 1 . 1 1 60 60 GLY CA C 60 44.430 44.430 46.300 -1.870 19906 240 1 1 . 1 1 60 60 GLY H H 60 6.120 6.120 7.624 -1.504 19906 241 1 1 . 1 1 61 61 TYR N N 61 117.690 117.690 114.413 3.277 19906 242 1 1 . 1 1 61 61 TYR HA H 61 5.030 5.030 4.943 0.087 19906 243 1 1 . 1 1 61 61 TYR CA C 61 56.320 56.320 53.016 3.304 19906 244 1 1 . 1 1 61 61 TYR CB C 61 41.700 41.700 40.783 0.917 19906 245 1 1 . 1 1 61 61 TYR H H 61 6.080 6.080 6.544 -0.464 19906 246 1 1 . 1 1 62 62 TYR N N 62 126.650 126.650 121.621 5.029 19906 247 1 1 . 1 1 62 62 TYR HA H 62 4.440 4.440 4.798 -0.358 19906 248 1 1 . 1 1 62 62 TYR CA C 62 58.560 58.560 57.910 0.650 19906 249 1 1 . 1 1 62 62 TYR CB C 62 43.550 43.550 43.138 0.412 19906 250 1 1 . 1 1 62 62 TYR H H 62 8.440 8.440 8.835 -0.395 19906 251 1 1 . 1 1 63 63 THR N N 63 122.160 122.160 118.622 3.538 19906 252 1 1 . 1 1 63 63 THR HA H 63 4.780 4.780 4.778 0.002 19906 253 1 1 . 1 1 63 63 THR CA C 63 61.610 61.610 60.608 1.002 19906 254 1 1 . 1 1 63 63 THR CB C 63 69.810 69.810 70.334 -0.524 19906 255 1 1 . 1 1 63 63 THR H H 63 7.380 7.380 7.096 0.284 19906 256 1 1 . 1 1 64 64 VAL N N 64 127.940 127.940 122.966 4.974 19906 257 1 1 . 1 1 64 64 VAL HA H 64 3.660 3.660 4.701 -1.041 19906 258 1 1 . 1 1 64 64 VAL CA C 64 61.840 61.840 61.143 0.697 19906 259 1 1 . 1 1 64 64 VAL CB C 64 31.840 31.840 32.949 -1.109 19906 260 1 1 . 1 1 64 64 VAL H H 64 8.860 8.860 8.294 0.566 19906 261 1 1 . 1 1 65 65 THR N N 65 116.150 116.150 116.181 -0.031 19906 262 1 1 . 1 1 65 65 THR HA H 65 4.640 4.640 5.141 -0.501 19906 263 1 1 . 1 1 65 65 THR CA C 65 59.470 59.470 59.477 -0.007 19906 264 1 1 . 1 1 65 65 THR CB C 65 71.160 71.160 71.541 -0.381 19906 265 1 1 . 1 1 65 65 THR H H 65 7.290 7.290 8.168 -0.878 19906 266 1 1 . 1 1 66 66 GLY N N 66 105.560 105.560 109.591 -4.031 19906 267 1 1 . 1 1 66 66 GLY CA C 66 45.860 45.860 44.949 0.911 19906 268 1 1 . 1 1 66 66 GLY H H 66 8.450 8.450 8.275 0.175 19906 269 1 1 . 1 1 67 67 LEU N N 67 119.080 119.080 117.933 1.147 19906 270 1 1 . 1 1 67 67 LEU HA H 67 4.180 4.180 4.085 0.095 19906 271 1 1 . 1 1 67 67 LEU CA C 67 53.380 53.380 54.175 -0.795 19906 272 1 1 . 1 1 67 67 LEU CB C 67 41.630 41.630 42.440 -0.810 19906 273 1 1 . 1 1 67 67 LEU H H 67 7.850 7.850 7.194 0.656 19906 274 1 1 . 1 1 68 68 GLU N N 68 120.030 120.030 117.615 2.415 19906 275 1 1 . 1 1 68 68 GLU HA H 68 4.920 4.920 4.827 0.093 19906 276 1 1 . 1 1 68 68 GLU CA C 68 52.510 52.510 52.702 -0.192 19906 277 1 1 . 1 1 68 68 GLU CB C 68 31.040 31.040 31.582 -0.542 19906 278 1 1 . 1 1 68 68 GLU H H 68 8.500 8.500 8.293 0.207 19906 279 1 1 . 1 1 69 69 PRO HA H 69 4.470 4.470 4.410 0.060 19906 280 1 1 . 1 1 69 69 PRO CA C 69 62.740 62.740 63.378 -0.638 19906 281 1 1 . 1 1 69 69 PRO CB C 69 31.410 31.410 32.299 -0.889 19906 282 1 1 . 1 1 70 70 GLY N N 70 106.940 106.940 109.313 -2.373 19906 283 1 1 . 1 1 70 70 GLY CA C 70 45.830 45.830 45.373 0.457 19906 284 1 1 . 1 1 70 70 GLY H H 70 8.500 8.500 8.616 -0.116 19906 285 1 1 . 1 1 71 71 ILE N N 71 120.080 120.080 121.214 -1.134 19906 286 1 1 . 1 1 71 71 ILE HA H 71 4.080 4.080 4.222 -0.142 19906 287 1 1 . 1 1 71 71 ILE CA C 71 58.710 58.710 60.037 -1.327 19906 288 1 1 . 1 1 71 71 ILE CB C 71 40.410 40.410 39.993 0.417 19906 289 1 1 . 1 1 71 71 ILE H H 71 7.510 7.510 7.498 0.012 19906 290 1 1 . 1 1 72 72 ASP N N 72 124.920 124.920 127.654 -2.734 19906 291 1 1 . 1 1 72 72 ASP HA H 72 4.930 4.930 4.608 0.322 19906 292 1 1 . 1 1 72 72 ASP CA C 72 54.260 54.260 53.709 0.551 19906 293 1 1 . 1 1 72 72 ASP CB C 72 41.120 41.120 41.218 -0.098 19906 294 1 1 . 1 1 72 72 ASP H H 72 8.190 8.190 8.535 -0.345 19906 295 1 1 . 1 1 73 73 TYR N N 73 122.440 122.440 125.424 -2.984 19906 296 1 1 . 1 1 73 73 TYR HA H 73 5.070 5.070 4.754 0.316 19906 297 1 1 . 1 1 73 73 TYR CA C 73 57.390 57.390 57.824 -0.434 19906 298 1 1 . 1 1 73 73 TYR CB C 73 40.550 40.550 40.402 0.148 19906 299 1 1 . 1 1 73 73 TYR H H 73 9.310 9.310 8.310 1.000 19906 300 1 1 . 1 1 74 74 ASP N N 74 122.980 122.980 125.104 -2.124 19906 301 1 1 . 1 1 74 74 ASP HA H 74 5.220 5.220 4.920 0.300 19906 302 1 1 . 1 1 74 74 ASP CA C 74 53.900 53.900 54.296 -0.396 19906 303 1 1 . 1 1 74 74 ASP CB C 74 42.120 42.120 41.905 0.215 19906 304 1 1 . 1 1 74 74 ASP H H 74 9.290 9.290 8.912 0.378 19906 305 1 1 . 1 1 75 75 ILE N N 75 124.270 124.270 120.181 4.089 19906 306 1 1 . 1 1 75 75 ILE HA H 75 5.470 5.470 4.741 0.729 19906 307 1 1 . 1 1 75 75 ILE CA C 75 58.400 58.400 58.211 0.189 19906 308 1 1 . 1 1 75 75 ILE CB C 75 40.900 40.900 40.609 0.291 19906 309 1 1 . 1 1 75 75 ILE H H 75 8.810 8.810 8.359 0.451 19906 310 1 1 . 1 1 76 76 SER N N 76 121.300 121.300 116.599 4.701 19906 311 1 1 . 1 1 76 76 SER HA H 76 5.800 5.800 4.703 1.097 19906 312 1 1 . 1 1 76 76 SER CA C 76 56.340 56.340 57.934 -1.594 19906 313 1 1 . 1 1 76 76 SER CB C 76 66.180 66.180 64.529 1.651 19906 314 1 1 . 1 1 76 76 SER H H 76 8.760 8.760 8.565 0.195 19906 315 1 1 . 1 1 77 77 VAL N N 77 124.740 124.740 128.193 -3.453 19906 316 1 1 . 1 1 77 77 VAL HA H 77 4.760 4.760 4.180 0.580 19906 317 1 1 . 1 1 77 77 VAL CA C 77 61.190 61.190 61.648 -0.458 19906 318 1 1 . 1 1 77 77 VAL CB C 77 33.270 33.270 31.684 1.586 19906 319 1 1 . 1 1 77 77 VAL H H 77 9.420 9.420 8.403 1.017 19906 320 1 1 . 1 1 78 78 ILE N N 78 126.300 126.300 127.964 -1.664 19906 321 1 1 . 1 1 78 78 ILE HA H 78 4.710 4.710 4.234 0.476 19906 322 1 1 . 1 1 78 78 ILE CA C 78 61.160 61.160 60.809 0.352 19906 323 1 1 . 1 1 78 78 ILE CB C 78 41.050 41.050 38.895 2.155 19906 324 1 1 . 1 1 78 78 ILE H H 78 9.370 9.370 8.138 1.232 19906 325 1 1 . 1 1 79 79 THR N N 79 122.350 122.350 120.753 1.597 19906 326 1 1 . 1 1 79 79 THR HA H 79 4.280 4.280 4.403 -0.123 19906 327 1 1 . 1 1 79 79 THR CA C 79 64.260 64.260 60.969 3.291 19906 328 1 1 . 1 1 79 79 THR CB C 79 69.130 69.130 69.391 -0.262 19906 329 1 1 . 1 1 79 79 THR H H 79 8.550 8.550 8.344 0.206 19906 330 1 1 . 1 1 80 80 LEU N N 80 128.900 128.900 131.689 -2.789 19906 331 1 1 . 1 1 80 80 LEU HA H 80 4.730 4.730 4.700 0.030 19906 332 1 1 . 1 1 80 80 LEU CA C 80 54.060 54.060 54.520 -0.460 19906 333 1 1 . 1 1 80 80 LEU CB C 80 41.470 41.470 43.809 -2.339 19906 334 1 1 . 1 1 80 80 LEU H H 80 8.660 8.660 8.773 -0.113 19906 335 1 1 . 1 1 81 81 ILE N N 81 121.640 121.640 120.454 1.186 19906 336 1 1 . 1 1 81 81 ILE HA H 81 4.870 4.870 4.593 0.277 19906 337 1 1 . 1 1 81 81 ILE CA C 81 59.300 59.300 60.328 -1.028 19906 338 1 1 . 1 1 81 81 ILE CB C 81 40.510 40.510 41.722 -1.212 19906 339 1 1 . 1 1 81 81 ILE H H 81 8.350 8.350 7.907 0.443 19906 340 1 1 . 1 1 82 82 ASN N N 82 123.240 123.240 122.081 1.159 19906 341 1 1 . 1 1 82 82 ASN HA H 82 4.640 4.640 4.697 -0.057 19906 342 1 1 . 1 1 82 82 ASN CA C 82 53.450 53.450 54.485 -1.035 19906 343 1 1 . 1 1 82 82 ASN CB C 82 38.940 38.940 39.112 -0.172 19906 344 1 1 . 1 1 82 82 ASN H H 82 8.820 8.820 8.998 -0.178 19906 345 1 1 . 1 1 83 83 GLY N N 83 112.680 112.680 108.051 4.629 19906 346 1 1 . 1 1 83 83 GLY CA C 83 45.420 45.420 44.136 1.284 19906 347 1 1 . 1 1 83 83 GLY H H 83 8.630 8.630 8.511 0.119 19906 348 1 1 . 1 1 84 84 GLY N N 84 108.560 108.560 106.813 1.747 19906 349 1 1 . 1 1 84 84 GLY CA C 84 45.190 45.190 44.631 0.559 19906 350 1 1 . 1 1 84 84 GLY H H 84 8.280 8.280 8.188 0.092 19906 351 1 1 . 1 1 85 85 GLU N N 85 120.690 120.690 120.438 0.252 19906 352 1 1 . 1 1 85 85 GLU HA H 85 4.320 4.320 4.262 0.058 19906 353 1 1 . 1 1 85 85 GLU CA C 85 56.480 56.480 57.007 -0.527 19906 354 1 1 . 1 1 85 85 GLU CB C 85 30.480 30.480 29.746 0.734 19906 355 1 1 . 1 1 85 85 GLU H H 85 8.460 8.460 8.425 0.035 19906 356 1 1 . 1 1 86 86 SER N N 86 116.860 116.860 118.240 -1.380 19906 357 1 1 . 1 1 86 86 SER HA H 86 4.430 4.430 4.450 -0.020 19906 358 1 1 . 1 1 86 86 SER CA C 86 57.920 57.920 58.204 -0.284 19906 359 1 1 . 1 1 86 86 SER CB C 86 63.720 63.720 63.928 -0.208 19906 360 1 1 . 1 1 86 86 SER H H 86 8.350 8.350 8.137 0.213 19906 361 1 1 . 1 1 87 87 ALA N N 87 126.890 126.890 121.948 4.942 19906 362 1 1 . 1 1 87 87 ALA HA H 87 4.580 4.580 4.217 0.363 19906 363 1 1 . 1 1 87 87 ALA CA C 87 50.450 50.450 51.928 -1.478 19906 364 1 1 . 1 1 87 87 ALA CB C 87 18.110 18.110 17.183 0.926 19906 365 1 1 . 1 1 87 87 ALA H H 87 8.240 8.240 8.539 -0.299 19906 366 1 1 . 1 1 88 88 PRO HA H 88 4.470 4.470 4.410 0.060 19906 367 1 1 . 1 1 88 88 PRO CA C 88 62.960 62.960 63.508 -0.548 19906 368 1 1 . 1 1 88 88 PRO CB C 88 31.460 31.460 32.266 -0.806 19906 369 1 1 . 1 1 89 89 THR N N 89 114.280 114.280 114.382 -0.102 19906 370 1 1 . 1 1 89 89 THR HA H 89 4.340 4.340 4.527 -0.187 19906 371 1 1 . 1 1 89 89 THR CA C 89 62.320 62.320 62.022 0.298 19906 372 1 1 . 1 1 89 89 THR CB C 89 69.530 69.530 68.912 0.618 19906 373 1 1 . 1 1 89 89 THR H H 89 8.270 8.270 8.014 0.256 19906 374 1 1 . 1 1 90 90 THR N N 90 116.290 116.290 118.206 -1.916 19906 375 1 1 . 1 1 90 90 THR HA H 90 4.330 4.330 4.525 -0.195 19906 376 1 1 . 1 1 90 90 THR CA C 90 61.890 61.890 61.264 0.626 19906 377 1 1 . 1 1 90 90 THR CB C 90 69.500 69.500 69.583 -0.083 19906 378 1 1 . 1 1 90 90 THR H H 90 8.090 8.090 8.314 -0.224 19906 379 1 1 . 1 1 91 91 LEU N N 91 124.660 124.660 122.490 2.170 19906 380 1 1 . 1 1 91 91 LEU HA H 91 4.410 4.410 4.699 -0.289 19906 381 1 1 . 1 1 91 91 LEU CA C 91 55.590 55.590 54.712 0.878 19906 382 1 1 . 1 1 91 91 LEU CB C 91 41.600 41.600 42.688 -1.088 19906 383 1 1 . 1 1 91 91 LEU H H 91 8.290 8.290 8.236 0.054 19906 384 1 1 . 1 1 92 92 THR N N 92 115.030 115.030 120.004 -4.974 19906 385 1 1 . 1 1 92 92 THR HA H 92 4.300 4.300 4.504 -0.204 19906 386 1 1 . 1 1 92 92 THR CA C 92 61.890 61.890 61.749 0.141 19906 387 1 1 . 1 1 92 92 THR CB C 92 69.500 69.500 69.578 -0.078 19906 388 1 1 . 1 1 92 92 THR H H 92 8.100 8.100 8.368 -0.268 19906 389 1 1 . 1 1 93 93 GLN N N 93 123.200 123.200 124.705 -1.505 19906 390 1 1 . 1 1 93 93 GLN HA H 93 4.350 4.350 4.359 -0.009 19906 391 1 1 . 1 1 93 93 GLN CA C 93 55.720 55.720 56.585 -0.865 19906 392 1 1 . 1 1 93 93 GLN CB C 93 29.050 29.050 29.429 -0.379 19906 393 1 1 . 1 1 93 93 GLN H H 93 8.380 8.380 8.642 -0.262 19906 394 1 1 . 1 1 94 94 GLN N N 94 122.720 122.720 123.106 -0.386 19906 395 1 1 . 1 1 94 94 GLN HA H 94 4.400 4.400 4.518 -0.118 19906 396 1 1 . 1 1 94 94 GLN CA C 94 55.780 55.780 55.753 0.027 19906 397 1 1 . 1 1 94 94 GLN CB C 94 29.100 29.100 30.645 -1.545 19906 398 1 1 . 1 1 94 94 GLN H H 94 8.480 8.480 8.447 0.033 19906 399 1 2 . 1 1 4 4 SER HA H 4 4.400 4.400 4.437 -0.037 19906 400 1 2 . 1 1 4 4 SER CA C 4 58.290 58.290 58.618 -0.328 19906 401 1 2 . 1 1 4 4 SER CB C 4 63.790 63.790 63.865 -0.075 19906 402 1 2 . 1 1 5 5 GLU N N 5 121.960 121.960 126.341 -4.381 19906 403 1 2 . 1 1 5 5 GLU HA H 5 4.410 4.410 4.625 -0.215 19906 404 1 2 . 1 1 5 5 GLU CA C 5 55.610 55.610 55.900 -0.290 19906 405 1 2 . 1 1 5 5 GLU CB C 5 31.950 31.950 30.843 1.107 19906 406 1 2 . 1 1 5 5 GLU H H 5 8.450 8.450 8.496 -0.046 19906 407 1 2 . 1 1 6 6 VAL N N 6 122.170 122.170 123.250 -1.080 19906 408 1 2 . 1 1 6 6 VAL HA H 6 4.070 4.070 4.457 -0.387 19906 409 1 2 . 1 1 6 6 VAL CA C 6 56.380 56.380 59.096 -2.716 19906 410 1 2 . 1 1 6 6 VAL CB C 6 29.500 29.500 31.353 -1.853 19906 411 1 2 . 1 1 6 6 VAL H H 6 8.260 8.260 8.200 0.060 19906 412 1 2 . 1 1 9 9 LEU N N 9 123.830 123.830 121.680 2.150 19906 413 1 2 . 1 1 9 9 LEU HA H 9 4.490 4.490 4.476 0.014 19906 414 1 2 . 1 1 9 9 LEU CA C 9 54.820 54.820 54.191 0.629 19906 415 1 2 . 1 1 9 9 LEU CB C 9 41.930 41.930 42.120 -0.190 19906 416 1 2 . 1 1 9 9 LEU H H 9 7.770 7.770 7.998 -0.228 19906 417 1 2 . 1 1 11 11 ASP HA H 11 4.730 4.730 4.753 -0.023 19906 418 1 2 . 1 1 11 11 ASP CA C 11 53.060 53.060 53.354 -0.294 19906 419 1 2 . 1 1 11 11 ASP CB C 11 38.110 38.110 41.929 -3.819 19906 420 1 2 . 1 1 12 12 LEU N N 12 122.730 122.730 123.384 -0.654 19906 421 1 2 . 1 1 12 12 LEU HA H 12 4.660 4.660 4.269 0.391 19906 422 1 2 . 1 1 12 12 LEU CA C 12 55.130 55.130 55.992 -0.862 19906 423 1 2 . 1 1 12 12 LEU CB C 12 43.390 43.390 42.823 0.567 19906 424 1 2 . 1 1 12 12 LEU H H 12 7.420 7.420 8.441 -1.021 19906 425 1 2 . 1 1 13 13 SER N N 13 120.760 120.760 119.772 0.988 19906 426 1 2 . 1 1 13 13 SER HA H 13 4.270 4.270 4.734 -0.464 19906 427 1 2 . 1 1 13 13 SER CA C 13 56.880 56.880 57.612 -0.732 19906 428 1 2 . 1 1 13 13 SER CB C 13 65.890 65.890 66.211 -0.321 19906 429 1 2 . 1 1 13 13 SER H H 13 9.020 9.020 8.014 1.006 19906 430 1 2 . 1 1 14 14 PHE N N 14 119.920 119.920 119.938 -0.018 19906 431 1 2 . 1 1 14 14 PHE HA H 14 5.510 5.510 4.868 0.642 19906 432 1 2 . 1 1 14 14 PHE CA C 14 56.760 56.760 57.154 -0.395 19906 433 1 2 . 1 1 14 14 PHE CB C 14 39.930 39.930 41.433 -1.503 19906 434 1 2 . 1 1 14 14 PHE H H 14 8.370 8.370 8.520 -0.150 19906 435 1 2 . 1 1 15 15 VAL N N 15 117.820 117.820 116.402 1.418 19906 436 1 2 . 1 1 15 15 VAL HA H 15 4.680 4.680 4.560 0.120 19906 437 1 2 . 1 1 15 15 VAL CA C 15 58.880 58.880 60.879 -1.999 19906 438 1 2 . 1 1 15 15 VAL CB C 15 36.900 36.900 35.599 1.301 19906 439 1 2 . 1 1 15 15 VAL H H 15 9.100 9.100 8.397 0.703 19906 440 1 2 . 1 1 16 16 ASP N N 16 116.850 116.850 120.643 -3.793 19906 441 1 2 . 1 1 16 16 ASP HA H 16 4.190 4.190 4.327 -0.137 19906 442 1 2 . 1 1 16 16 ASP CA C 16 54.550 54.550 55.077 -0.527 19906 443 1 2 . 1 1 16 16 ASP CB C 16 38.920 38.920 40.239 -1.319 19906 444 1 2 . 1 1 16 16 ASP H H 16 8.520 8.520 8.694 -0.174 19906 445 1 2 . 1 1 17 17 ILE N N 17 118.600 118.600 120.196 -1.596 19906 446 1 2 . 1 1 17 17 ILE HA H 17 4.150 4.150 4.188 -0.038 19906 447 1 2 . 1 1 17 17 ILE CA C 17 63.190 63.190 61.792 1.398 19906 448 1 2 . 1 1 17 17 ILE CB C 17 37.770 37.770 38.908 -1.138 19906 449 1 2 . 1 1 17 17 ILE H H 17 8.150 8.150 8.032 0.118 19906 450 1 2 . 1 1 18 18 THR N N 18 122.160 122.160 121.297 0.863 19906 451 1 2 . 1 1 18 18 THR HA H 18 4.910 4.910 4.591 0.319 19906 452 1 2 . 1 1 18 18 THR CA C 18 60.570 60.570 60.489 0.081 19906 453 1 2 . 1 1 18 18 THR CB C 18 70.600 70.600 70.446 0.154 19906 454 1 2 . 1 1 18 18 THR H H 18 8.740 8.740 8.247 0.493 19906 455 1 2 . 1 1 19 19 ASP N N 19 115.600 115.600 122.413 -6.813 19906 456 1 2 . 1 1 19 19 ASP HA H 19 4.480 4.480 4.523 -0.043 19906 457 1 2 . 1 1 19 19 ASP CA C 19 54.880 54.880 55.918 -1.038 19906 458 1 2 . 1 1 19 19 ASP CB C 19 40.430 40.430 40.338 0.092 19906 459 1 2 . 1 1 19 19 ASP H H 19 8.450 8.450 8.717 -0.267 19906 460 1 2 . 1 1 20 20 SER N N 20 108.500 108.500 112.270 -3.770 19906 461 1 2 . 1 1 20 20 SER HA H 20 4.620 4.620 4.614 0.006 19906 462 1 2 . 1 1 20 20 SER CA C 20 57.660 57.660 57.800 -0.140 19906 463 1 2 . 1 1 20 20 SER CB C 20 66.090 66.090 63.872 2.218 19906 464 1 2 . 1 1 20 20 SER H H 20 8.120 8.120 7.979 0.141 19906 465 1 2 . 1 1 21 21 SER N N 21 116.590 116.590 115.897 0.693 19906 466 1 2 . 1 1 21 21 SER HA H 21 5.230 5.230 5.173 0.057 19906 467 1 2 . 1 1 21 21 SER CA C 21 56.730 56.730 57.584 -0.854 19906 468 1 2 . 1 1 21 21 SER CB C 21 66.730 66.730 65.537 1.192 19906 469 1 2 . 1 1 21 21 SER H H 21 7.530 7.530 7.544 -0.014 19906 470 1 2 . 1 1 22 22 ILE N N 22 113.850 113.850 117.226 -3.376 19906 471 1 2 . 1 1 22 22 ILE HA H 22 4.490 4.490 5.015 -0.525 19906 472 1 2 . 1 1 22 22 ILE CA C 22 60.320 60.320 59.032 1.288 19906 473 1 2 . 1 1 22 22 ILE CB C 22 42.650 42.650 42.252 0.398 19906 474 1 2 . 1 1 22 22 ILE H H 22 8.210 8.210 7.918 0.292 19906 475 1 2 . 1 1 23 23 GLY N N 23 112.950 112.950 113.230 -0.280 19906 476 1 2 . 1 1 23 23 GLY CA C 23 44.110 44.110 43.967 0.143 19906 477 1 2 . 1 1 23 23 GLY H H 23 8.300 8.300 8.244 0.056 19906 478 1 2 . 1 1 24 24 LEU N N 24 123.740 123.740 125.548 -1.808 19906 479 1 2 . 1 1 24 24 LEU HA H 24 4.820 4.820 4.191 0.629 19906 480 1 2 . 1 1 24 24 LEU CA C 24 53.930 53.930 55.711 -1.781 19906 481 1 2 . 1 1 24 24 LEU CB C 24 42.470 42.470 41.703 0.767 19906 482 1 2 . 1 1 24 24 LEU H H 24 8.820 8.820 7.742 1.078 19906 483 1 2 . 1 1 25 25 ARG N N 25 119.980 119.980 123.600 -3.620 19906 484 1 2 . 1 1 25 25 ARG HA H 25 4.890 4.890 4.531 0.359 19906 485 1 2 . 1 1 25 25 ARG CA C 25 54.040 54.040 55.154 -1.114 19906 486 1 2 . 1 1 25 25 ARG CB C 25 33.850 33.850 34.035 -0.185 19906 487 1 2 . 1 1 25 25 ARG H H 25 8.570 8.570 7.944 0.626 19906 488 1 2 . 1 1 26 26 TRP N N 26 122.480 122.480 124.759 -2.279 19906 489 1 2 . 1 1 26 26 TRP HA H 26 4.840 4.840 5.032 -0.192 19906 490 1 2 . 1 1 26 26 TRP CA C 26 56.790 56.790 55.915 0.875 19906 491 1 2 . 1 1 26 26 TRP CB C 26 31.460 31.460 31.137 0.322 19906 492 1 2 . 1 1 26 26 TRP H H 26 7.960 7.960 7.421 0.539 19906 493 1 2 . 1 1 27 27 THR N N 27 119.820 119.820 118.238 1.582 19906 494 1 2 . 1 1 27 27 THR HA H 27 4.750 4.750 4.604 0.146 19906 495 1 2 . 1 1 27 27 THR CA C 27 60.690 60.690 59.889 0.800 19906 496 1 2 . 1 1 27 27 THR CB C 27 68.460 68.460 68.788 -0.328 19906 497 1 2 . 1 1 27 27 THR H H 27 9.780 9.780 8.477 1.303 19906 498 1 2 . 1 1 28 28 PRO HA H 28 4.470 4.470 4.542 -0.072 19906 499 1 2 . 1 1 28 28 PRO CA C 28 63.260 63.260 63.232 0.028 19906 500 1 2 . 1 1 28 28 PRO CB C 28 31.980 31.980 32.377 -0.397 19906 501 1 2 . 1 1 29 29 LEU N N 29 124.220 124.220 121.585 2.635 19906 502 1 2 . 1 1 29 29 LEU HA H 29 4.490 4.490 4.615 -0.125 19906 503 1 2 . 1 1 29 29 LEU CA C 29 54.150 54.150 53.907 0.243 19906 504 1 2 . 1 1 29 29 LEU CB C 29 43.040 43.040 43.139 -0.099 19906 505 1 2 . 1 1 29 29 LEU H H 29 8.570 8.570 8.389 0.181 19906 506 1 2 . 1 1 30 30 ASN N N 30 119.950 119.950 122.735 -2.785 19906 507 1 2 . 1 1 30 30 ASN HA H 30 4.700 4.700 4.368 0.332 19906 508 1 2 . 1 1 30 30 ASN CA C 30 53.570 53.570 55.646 -2.076 19906 509 1 2 . 1 1 30 30 ASN CB C 30 38.340 38.340 38.538 -0.198 19906 510 1 2 . 1 1 30 30 ASN H H 30 8.630 8.630 9.032 -0.402 19906 511 1 2 . 1 1 31 31 SER N N 31 114.290 114.290 113.465 0.825 19906 512 1 2 . 1 1 31 31 SER HA H 31 4.560 4.560 4.446 0.114 19906 513 1 2 . 1 1 31 31 SER CA C 31 57.500 57.500 59.392 -1.892 19906 514 1 2 . 1 1 31 31 SER CB C 31 63.480 63.480 63.538 -0.058 19906 515 1 2 . 1 1 31 31 SER H H 31 8.090 8.090 8.308 -0.218 19906 516 1 2 . 1 1 32 32 SER HA H 32 4.560 4.560 4.335 0.225 19906 517 1 2 . 1 1 32 32 SER CA C 32 58.140 58.140 59.105 -0.965 19906 518 1 2 . 1 1 32 32 SER CB C 32 63.730 63.730 63.625 0.105 19906 519 1 2 . 1 1 33 33 THR N N 33 114.160 114.160 120.328 -6.168 19906 520 1 2 . 1 1 33 33 THR HA H 33 4.300 4.300 4.175 0.125 19906 521 1 2 . 1 1 33 33 THR CA C 33 63.620 63.620 63.712 -0.091 19906 522 1 2 . 1 1 33 33 THR CB C 33 69.530 69.530 69.448 0.082 19906 523 1 2 . 1 1 33 33 THR H H 33 8.000 8.000 8.207 -0.207 19906 524 1 2 . 1 1 34 34 ILE N N 34 121.090 121.090 125.975 -4.885 19906 525 1 2 . 1 1 34 34 ILE HA H 34 4.300 4.300 4.202 0.098 19906 526 1 2 . 1 1 34 34 ILE CA C 34 61.920 61.920 60.508 1.412 19906 527 1 2 . 1 1 34 34 ILE CB C 34 38.080 38.080 35.904 2.176 19906 528 1 2 . 1 1 34 34 ILE H H 34 7.980 7.980 8.484 -0.504 19906 529 1 2 . 1 1 35 35 ILE N N 35 126.230 126.230 122.080 4.150 19906 530 1 2 . 1 1 35 35 ILE HA H 35 4.220 4.220 4.383 -0.163 19906 531 1 2 . 1 1 35 35 ILE CA C 35 61.720 61.720 59.432 2.288 19906 532 1 2 . 1 1 35 35 ILE CB C 35 38.790 38.790 40.966 -2.176 19906 533 1 2 . 1 1 35 35 ILE H H 35 8.810 8.810 7.678 1.132 19906 534 1 2 . 1 1 36 36 GLY CA C 36 45.520 45.520 45.613 -0.093 19906 535 1 2 . 1 1 37 37 TYR N N 37 120.400 120.400 124.374 -3.974 19906 536 1 2 . 1 1 37 37 TYR HA H 37 5.070 5.070 4.468 0.602 19906 537 1 2 . 1 1 37 37 TYR CA C 37 57.930 57.930 58.101 -0.171 19906 538 1 2 . 1 1 37 37 TYR CB C 37 38.950 38.950 40.251 -1.301 19906 539 1 2 . 1 1 37 37 TYR H H 37 7.340 7.340 7.895 -0.555 19906 540 1 2 . 1 1 38 38 ARG HA H 38 5.150 5.150 4.671 0.479 19906 541 1 2 . 1 1 38 38 ARG CA C 38 54.450 54.450 54.538 -0.088 19906 542 1 2 . 1 1 38 38 ARG CB C 38 31.530 31.530 32.942 -1.412 19906 543 1 2 . 1 1 39 39 ILE N N 39 129.570 129.570 124.650 4.920 19906 544 1 2 . 1 1 39 39 ILE HA H 39 5.060 5.060 4.588 0.472 19906 545 1 2 . 1 1 39 39 ILE CA C 39 60.030 60.030 59.847 0.182 19906 546 1 2 . 1 1 39 39 ILE CB C 39 40.780 40.780 39.157 1.623 19906 547 1 2 . 1 1 39 39 ILE H H 39 9.040 9.040 8.262 0.778 19906 548 1 2 . 1 1 40 40 THR N N 40 120.430 120.430 123.397 -2.967 19906 549 1 2 . 1 1 40 40 THR HA H 40 5.210 5.210 4.615 0.595 19906 550 1 2 . 1 1 40 40 THR CA C 40 61.130 61.130 61.785 -0.655 19906 551 1 2 . 1 1 40 40 THR CB C 40 71.090 71.090 71.018 0.072 19906 552 1 2 . 1 1 40 40 THR H H 40 8.880 8.880 8.068 0.812 19906 553 1 2 . 1 1 41 41 VAL HA H 41 5.030 5.030 4.488 0.542 19906 554 1 2 . 1 1 41 41 VAL CA C 41 61.280 61.280 59.734 1.546 19906 555 1 2 . 1 1 41 41 VAL CB C 41 33.800 33.800 34.705 -0.905 19906 556 1 2 . 1 1 41 41 VAL H H 41 8.820 8.820 8.480 0.340 19906 557 1 2 . 1 1 42 42 VAL N N 42 127.670 127.670 126.722 0.948 19906 558 1 2 . 1 1 42 42 VAL HA H 42 4.650 4.650 4.340 0.310 19906 559 1 2 . 1 1 42 42 VAL CA C 42 60.320 60.320 60.166 0.154 19906 560 1 2 . 1 1 42 42 VAL CB C 42 35.800 35.800 36.162 -0.362 19906 561 1 2 . 1 1 42 42 VAL H H 42 9.100 9.100 9.188 -0.088 19906 562 1 2 . 1 1 43 43 ALA N N 43 131.340 131.340 128.354 2.986 19906 563 1 2 . 1 1 43 43 ALA HA H 43 4.410 4.410 3.816 0.594 19906 564 1 2 . 1 1 43 43 ALA CA C 43 52.420 52.420 50.767 1.653 19906 565 1 2 . 1 1 43 43 ALA CB C 43 18.750 18.750 19.480 -0.730 19906 566 1 2 . 1 1 43 43 ALA H H 43 9.420 9.420 8.463 0.957 19906 567 1 2 . 1 1 44 44 ALA N N 44 126.040 126.040 126.510 -0.470 19906 568 1 2 . 1 1 44 44 ALA HA H 44 4.120 4.120 4.313 -0.193 19906 569 1 2 . 1 1 44 44 ALA CA C 44 53.790 53.790 53.039 0.751 19906 570 1 2 . 1 1 44 44 ALA CB C 44 18.680 18.680 19.450 -0.769 19906 571 1 2 . 1 1 44 44 ALA H H 44 8.260 8.260 8.180 0.080 19906 572 1 2 . 1 1 45 45 GLY CA C 45 45.620 45.620 44.497 1.123 19906 573 1 2 . 1 1 45 45 GLY H H 45 8.700 8.700 8.001 0.699 19906 574 1 2 . 1 1 46 46 GLU N N 46 119.650 119.650 119.580 0.070 19906 575 1 2 . 1 1 46 46 GLU HA H 46 4.470 4.470 4.477 -0.007 19906 576 1 2 . 1 1 46 46 GLU CA C 46 55.870 55.870 55.333 0.537 19906 577 1 2 . 1 1 46 46 GLU CB C 46 30.520 30.520 32.539 -2.019 19906 578 1 2 . 1 1 46 46 GLU H H 46 8.110 8.110 7.221 0.889 19906 579 1 2 . 1 1 47 47 GLY N N 47 107.160 107.160 109.321 -2.161 19906 580 1 2 . 1 1 47 47 GLY CA C 47 45.910 45.910 45.700 0.210 19906 581 1 2 . 1 1 47 47 GLY H H 47 8.400 8.400 8.636 -0.236 19906 582 1 2 . 1 1 48 48 ILE N N 48 120.010 120.010 120.934 -0.924 19906 583 1 2 . 1 1 48 48 ILE HA H 48 4.620 4.620 4.327 0.293 19906 584 1 2 . 1 1 48 48 ILE CA C 48 58.500 58.500 57.919 0.581 19906 585 1 2 . 1 1 48 48 ILE CB C 48 39.400 39.400 41.326 -1.926 19906 586 1 2 . 1 1 48 48 ILE H H 48 7.440 7.440 7.341 0.099 19906 587 1 2 . 1 1 49 49 PRO HA H 49 4.530 4.530 4.503 0.027 19906 588 1 2 . 1 1 49 49 PRO CA C 49 63.590 63.590 62.344 1.246 19906 589 1 2 . 1 1 49 49 PRO CB C 49 31.880 31.880 32.167 -0.287 19906 590 1 2 . 1 1 50 50 ILE N N 50 122.120 122.120 119.536 2.584 19906 591 1 2 . 1 1 50 50 ILE HA H 50 4.150 4.150 3.985 0.165 19906 592 1 2 . 1 1 50 50 ILE CA C 50 63.310 63.310 60.937 2.373 19906 593 1 2 . 1 1 50 50 ILE CB C 50 38.020 38.020 38.963 -0.943 19906 594 1 2 . 1 1 50 50 ILE H H 50 8.720 8.720 7.961 0.759 19906 595 1 2 . 1 1 51 51 PHE HA H 51 4.770 4.770 4.576 0.194 19906 596 1 2 . 1 1 51 51 PHE CA C 51 57.900 57.900 58.343 -0.443 19906 597 1 2 . 1 1 51 51 PHE CB C 51 41.870 41.870 39.557 2.313 19906 598 1 2 . 1 1 52 52 GLU HA H 52 5.350 5.350 4.256 1.094 19906 599 1 2 . 1 1 52 52 GLU CA C 52 55.140 55.140 56.406 -1.266 19906 600 1 2 . 1 1 52 52 GLU CB C 52 32.030 32.030 30.607 1.423 19906 601 1 2 . 1 1 53 53 ASP N N 53 122.750 122.750 119.423 3.327 19906 602 1 2 . 1 1 53 53 ASP HA H 53 5.000 5.000 4.890 0.110 19906 603 1 2 . 1 1 53 53 ASP CA C 53 52.950 52.950 53.471 -0.521 19906 604 1 2 . 1 1 53 53 ASP CB C 53 44.770 44.770 44.528 0.242 19906 605 1 2 . 1 1 53 53 ASP H H 53 8.850 8.850 7.959 0.891 19906 606 1 2 . 1 1 54 54 PHE N N 54 121.100 121.100 121.458 -0.358 19906 607 1 2 . 1 1 54 54 PHE HA H 54 5.380 5.380 5.169 0.211 19906 608 1 2 . 1 1 54 54 PHE CA C 54 56.180 56.180 57.071 -0.891 19906 609 1 2 . 1 1 54 54 PHE CB C 54 42.110 42.110 40.596 1.514 19906 610 1 2 . 1 1 54 54 PHE H H 54 8.770 8.770 8.636 0.134 19906 611 1 2 . 1 1 55 55 VAL N N 55 125.760 125.760 125.680 0.080 19906 612 1 2 . 1 1 55 55 VAL HA H 55 4.320 4.320 4.438 -0.118 19906 613 1 2 . 1 1 55 55 VAL CA C 55 59.140 59.140 59.343 -0.203 19906 614 1 2 . 1 1 55 55 VAL CB C 55 34.940 34.940 36.033 -1.093 19906 615 1 2 . 1 1 55 55 VAL H H 55 8.290 8.290 8.045 0.245 19906 616 1 2 . 1 1 56 56 ASP N N 56 127.100 127.100 127.165 -0.065 19906 617 1 2 . 1 1 56 56 ASP HA H 56 4.560 4.560 4.649 -0.089 19906 618 1 2 . 1 1 56 56 ASP CA C 56 54.980 54.980 54.667 0.313 19906 619 1 2 . 1 1 56 56 ASP CB C 56 42.730 42.730 41.671 1.059 19906 620 1 2 . 1 1 56 56 ASP H H 56 8.460 8.460 8.644 -0.184 19906 621 1 2 . 1 1 57 57 SER N N 57 119.630 119.630 117.820 1.810 19906 622 1 2 . 1 1 57 57 SER HA H 57 4.330 4.330 4.536 -0.206 19906 623 1 2 . 1 1 57 57 SER CA C 57 60.630 60.630 61.843 -1.214 19906 624 1 2 . 1 1 57 57 SER CB C 57 62.680 62.680 63.440 -0.760 19906 625 1 2 . 1 1 57 57 SER H H 57 8.260 8.260 8.733 -0.473 19906 626 1 2 . 1 1 58 58 SER N N 58 117.030 117.030 115.978 1.052 19906 627 1 2 . 1 1 58 58 SER HA H 58 4.400 4.400 4.310 0.090 19906 628 1 2 . 1 1 58 58 SER CA C 58 60.430 60.430 60.758 -0.328 19906 629 1 2 . 1 1 58 58 SER CB C 58 63.700 63.700 63.084 0.616 19906 630 1 2 . 1 1 58 58 SER H H 58 9.080 9.080 8.252 0.828 19906 631 1 2 . 1 1 59 59 VAL N N 59 119.350 119.350 119.149 0.201 19906 632 1 2 . 1 1 59 59 VAL HA H 59 3.790 3.790 3.822 -0.032 19906 633 1 2 . 1 1 59 59 VAL CA C 59 65.670 65.670 64.786 0.884 19906 634 1 2 . 1 1 59 59 VAL CB C 59 32.400 32.400 32.130 0.270 19906 635 1 2 . 1 1 59 59 VAL H H 59 7.570 7.570 7.558 0.012 19906 636 1 2 . 1 1 60 60 GLY N N 60 104.070 104.070 107.017 -2.947 19906 637 1 2 . 1 1 60 60 GLY CA C 60 44.430 44.430 46.064 -1.634 19906 638 1 2 . 1 1 60 60 GLY H H 60 6.120 6.120 7.987 -1.867 19906 639 1 2 . 1 1 61 61 TYR N N 61 117.690 117.690 121.940 -4.250 19906 640 1 2 . 1 1 61 61 TYR HA H 61 5.030 5.030 4.604 0.426 19906 641 1 2 . 1 1 61 61 TYR CA C 61 56.320 56.320 55.806 0.514 19906 642 1 2 . 1 1 61 61 TYR CB C 61 41.700 41.700 41.505 0.195 19906 643 1 2 . 1 1 61 61 TYR H H 61 6.080 6.080 7.511 -1.431 19906 644 1 2 . 1 1 62 62 TYR N N 62 126.650 126.650 123.989 2.661 19906 645 1 2 . 1 1 62 62 TYR HA H 62 4.440 4.440 4.421 0.019 19906 646 1 2 . 1 1 62 62 TYR CA C 62 58.560 58.560 57.020 1.540 19906 647 1 2 . 1 1 62 62 TYR CB C 62 43.550 43.550 42.748 0.802 19906 648 1 2 . 1 1 62 62 TYR H H 62 8.440 8.440 7.231 1.209 19906 649 1 2 . 1 1 63 63 THR N N 63 122.160 122.160 117.695 4.465 19906 650 1 2 . 1 1 63 63 THR HA H 63 4.780 4.780 4.535 0.245 19906 651 1 2 . 1 1 63 63 THR CA C 63 61.610 61.610 60.709 0.901 19906 652 1 2 . 1 1 63 63 THR CB C 63 69.810 69.810 70.812 -1.002 19906 653 1 2 . 1 1 63 63 THR H H 63 7.380 7.380 6.988 0.392 19906 654 1 2 . 1 1 64 64 VAL N N 64 127.940 127.940 123.253 4.687 19906 655 1 2 . 1 1 64 64 VAL HA H 64 3.660 3.660 4.643 -0.983 19906 656 1 2 . 1 1 64 64 VAL CA C 64 61.840 61.840 60.668 1.172 19906 657 1 2 . 1 1 64 64 VAL CB C 64 31.840 31.840 32.091 -0.251 19906 658 1 2 . 1 1 64 64 VAL H H 64 8.860 8.860 8.128 0.732 19906 659 1 2 . 1 1 65 65 THR N N 65 116.150 116.150 115.640 0.510 19906 660 1 2 . 1 1 65 65 THR HA H 65 4.640 4.640 5.102 -0.462 19906 661 1 2 . 1 1 65 65 THR CA C 65 59.470 59.470 59.641 -0.171 19906 662 1 2 . 1 1 65 65 THR CB C 65 71.160 71.160 71.317 -0.157 19906 663 1 2 . 1 1 65 65 THR H H 65 7.290 7.290 8.210 -0.920 19906 664 1 2 . 1 1 66 66 GLY N N 66 105.560 105.560 109.049 -3.489 19906 665 1 2 . 1 1 66 66 GLY CA C 66 45.860 45.860 44.788 1.072 19906 666 1 2 . 1 1 66 66 GLY H H 66 8.450 8.450 8.403 0.047 19906 667 1 2 . 1 1 67 67 LEU N N 67 119.080 119.080 121.196 -2.116 19906 668 1 2 . 1 1 67 67 LEU HA H 67 4.180 4.180 3.961 0.219 19906 669 1 2 . 1 1 67 67 LEU CA C 67 53.380 53.380 53.033 0.347 19906 670 1 2 . 1 1 67 67 LEU CB C 67 41.630 41.630 40.833 0.797 19906 671 1 2 . 1 1 67 67 LEU H H 67 7.850 7.850 7.549 0.301 19906 672 1 2 . 1 1 68 68 GLU N N 68 120.030 120.030 123.959 -3.929 19906 673 1 2 . 1 1 68 68 GLU HA H 68 4.920 4.920 4.221 0.699 19906 674 1 2 . 1 1 68 68 GLU CA C 68 52.510 52.510 55.656 -3.146 19906 675 1 2 . 1 1 68 68 GLU CB C 68 31.040 31.040 29.065 1.975 19906 676 1 2 . 1 1 68 68 GLU H H 68 8.500 8.500 8.637 -0.137 19906 677 1 2 . 1 1 69 69 PRO HA H 69 4.470 4.470 4.425 0.045 19906 678 1 2 . 1 1 69 69 PRO CA C 69 62.740 62.740 63.141 -0.400 19906 679 1 2 . 1 1 69 69 PRO CB C 69 31.410 31.410 32.119 -0.709 19906 680 1 2 . 1 1 70 70 GLY N N 70 106.940 106.940 108.840 -1.900 19906 681 1 2 . 1 1 70 70 GLY CA C 70 45.830 45.830 45.673 0.157 19906 682 1 2 . 1 1 70 70 GLY H H 70 8.500 8.500 8.819 -0.319 19906 683 1 2 . 1 1 71 71 ILE N N 71 120.080 120.080 121.688 -1.608 19906 684 1 2 . 1 1 71 71 ILE HA H 71 4.080 4.080 4.212 -0.132 19906 685 1 2 . 1 1 71 71 ILE CA C 71 58.710 58.710 60.139 -1.429 19906 686 1 2 . 1 1 71 71 ILE CB C 71 40.410 40.410 39.711 0.699 19906 687 1 2 . 1 1 71 71 ILE H H 71 7.510 7.510 7.448 0.062 19906 688 1 2 . 1 1 72 72 ASP N N 72 124.920 124.920 127.418 -2.498 19906 689 1 2 . 1 1 72 72 ASP HA H 72 4.930 4.930 4.638 0.292 19906 690 1 2 . 1 1 72 72 ASP CA C 72 54.260 54.260 53.766 0.494 19906 691 1 2 . 1 1 72 72 ASP CB C 72 41.120 41.120 41.516 -0.396 19906 692 1 2 . 1 1 72 72 ASP H H 72 8.190 8.190 8.538 -0.348 19906 693 1 2 . 1 1 73 73 TYR N N 73 122.440 122.440 124.924 -2.484 19906 694 1 2 . 1 1 73 73 TYR HA H 73 5.070 5.070 4.809 0.261 19906 695 1 2 . 1 1 73 73 TYR CA C 73 57.390 57.390 57.579 -0.189 19906 696 1 2 . 1 1 73 73 TYR CB C 73 40.550 40.550 40.604 -0.054 19906 697 1 2 . 1 1 73 73 TYR H H 73 9.310 9.310 8.561 0.749 19906 698 1 2 . 1 1 74 74 ASP N N 74 122.980 122.980 124.946 -1.966 19906 699 1 2 . 1 1 74 74 ASP HA H 74 5.220 5.220 4.906 0.314 19906 700 1 2 . 1 1 74 74 ASP CA C 74 53.900 53.900 54.061 -0.161 19906 701 1 2 . 1 1 74 74 ASP CB C 74 42.120 42.120 41.465 0.655 19906 702 1 2 . 1 1 74 74 ASP H H 74 9.290 9.290 8.891 0.399 19906 703 1 2 . 1 1 75 75 ILE N N 75 124.270 124.270 120.306 3.964 19906 704 1 2 . 1 1 75 75 ILE HA H 75 5.470 5.470 5.007 0.463 19906 705 1 2 . 1 1 75 75 ILE CA C 75 58.400 58.400 58.305 0.095 19906 706 1 2 . 1 1 75 75 ILE CB C 75 40.900 40.900 40.913 -0.013 19906 707 1 2 . 1 1 75 75 ILE H H 75 8.810 8.810 8.276 0.534 19906 708 1 2 . 1 1 76 76 SER N N 76 121.300 121.300 116.335 4.965 19906 709 1 2 . 1 1 76 76 SER HA H 76 5.800 5.800 4.750 1.050 19906 710 1 2 . 1 1 76 76 SER CA C 76 56.340 56.340 57.824 -1.484 19906 711 1 2 . 1 1 76 76 SER CB C 76 66.180 66.180 65.775 0.406 19906 712 1 2 . 1 1 76 76 SER H H 76 8.760 8.760 8.691 0.069 19906 713 1 2 . 1 1 77 77 VAL N N 77 124.740 124.740 122.053 2.687 19906 714 1 2 . 1 1 77 77 VAL HA H 77 4.760 4.760 4.270 0.490 19906 715 1 2 . 1 1 77 77 VAL CA C 77 61.190 61.190 61.540 -0.350 19906 716 1 2 . 1 1 77 77 VAL CB C 77 33.270 33.270 33.812 -0.542 19906 717 1 2 . 1 1 77 77 VAL H H 77 9.420 9.420 8.391 1.029 19906 718 1 2 . 1 1 78 78 ILE N N 78 126.300 126.300 127.981 -1.681 19906 719 1 2 . 1 1 78 78 ILE HA H 78 4.710 4.710 4.329 0.381 19906 720 1 2 . 1 1 78 78 ILE CA C 78 61.160 61.160 60.545 0.615 19906 721 1 2 . 1 1 78 78 ILE CB C 78 41.050 41.050 40.258 0.792 19906 722 1 2 . 1 1 78 78 ILE H H 78 9.370 9.370 8.351 1.019 19906 723 1 2 . 1 1 79 79 THR N N 79 122.350 122.350 122.519 -0.169 19906 724 1 2 . 1 1 79 79 THR HA H 79 4.280 4.280 4.382 -0.102 19906 725 1 2 . 1 1 79 79 THR CA C 79 64.260 64.260 61.763 2.497 19906 726 1 2 . 1 1 79 79 THR CB C 79 69.130 69.130 69.266 -0.136 19906 727 1 2 . 1 1 79 79 THR H H 79 8.550 8.550 8.352 0.198 19906 728 1 2 . 1 1 80 80 LEU N N 80 128.900 128.900 130.491 -1.591 19906 729 1 2 . 1 1 80 80 LEU HA H 80 4.730 4.730 4.705 0.025 19906 730 1 2 . 1 1 80 80 LEU CA C 80 54.060 54.060 54.405 -0.345 19906 731 1 2 . 1 1 80 80 LEU CB C 80 41.470 41.470 44.320 -2.850 19906 732 1 2 . 1 1 80 80 LEU H H 80 8.660 8.660 8.828 -0.168 19906 733 1 2 . 1 1 81 81 ILE N N 81 121.640 121.640 122.092 -0.452 19906 734 1 2 . 1 1 81 81 ILE HA H 81 4.870 4.870 4.481 0.389 19906 735 1 2 . 1 1 81 81 ILE CA C 81 59.300 59.300 58.916 0.384 19906 736 1 2 . 1 1 81 81 ILE CB C 81 40.510 40.510 40.798 -0.288 19906 737 1 2 . 1 1 81 81 ILE H H 81 8.350 8.350 7.911 0.439 19906 738 1 2 . 1 1 82 82 ASN N N 82 123.240 123.240 119.257 3.983 19906 739 1 2 . 1 1 82 82 ASN HA H 82 4.640 4.640 4.588 0.052 19906 740 1 2 . 1 1 82 82 ASN CA C 82 53.450 53.450 54.214 -0.764 19906 741 1 2 . 1 1 82 82 ASN CB C 82 38.940 38.940 39.420 -0.480 19906 742 1 2 . 1 1 82 82 ASN H H 82 8.820 8.820 8.660 0.160 19906 743 1 2 . 1 1 83 83 GLY N N 83 112.680 112.680 108.095 4.585 19906 744 1 2 . 1 1 83 83 GLY CA C 83 45.420 45.420 44.858 0.562 19906 745 1 2 . 1 1 83 83 GLY H H 83 8.630 8.630 7.864 0.766 19906 746 1 2 . 1 1 84 84 GLY N N 84 108.560 108.560 109.131 -0.571 19906 747 1 2 . 1 1 84 84 GLY CA C 84 45.190 45.190 44.259 0.931 19906 748 1 2 . 1 1 84 84 GLY H H 84 8.280 8.280 8.181 0.099 19906 749 1 2 . 1 1 85 85 GLU N N 85 120.690 120.690 119.503 1.187 19906 750 1 2 . 1 1 85 85 GLU HA H 85 4.320 4.320 4.409 -0.089 19906 751 1 2 . 1 1 85 85 GLU CA C 85 56.480 56.480 56.280 0.200 19906 752 1 2 . 1 1 85 85 GLU CB C 85 30.480 30.480 30.424 0.056 19906 753 1 2 . 1 1 85 85 GLU H H 85 8.460 8.460 8.318 0.142 19906 754 1 2 . 1 1 86 86 SER N N 86 116.860 116.860 116.915 -0.055 19906 755 1 2 . 1 1 86 86 SER HA H 86 4.430 4.430 4.345 0.085 19906 756 1 2 . 1 1 86 86 SER CA C 86 57.920 57.920 59.184 -1.264 19906 757 1 2 . 1 1 86 86 SER CB C 86 63.720 63.720 63.676 0.044 19906 758 1 2 . 1 1 86 86 SER H H 86 8.350 8.350 8.481 -0.131 19906 759 1 2 . 1 1 87 87 ALA N N 87 126.890 126.890 126.001 0.889 19906 760 1 2 . 1 1 87 87 ALA HA H 87 4.580 4.580 4.558 0.022 19906 761 1 2 . 1 1 87 87 ALA CA C 87 50.450 50.450 51.068 -0.618 19906 762 1 2 . 1 1 87 87 ALA CB C 87 18.110 18.110 18.461 -0.351 19906 763 1 2 . 1 1 87 87 ALA H H 87 8.240 8.240 8.405 -0.165 19906 764 1 2 . 1 1 88 88 PRO HA H 88 4.470 4.470 4.533 -0.063 19906 765 1 2 . 1 1 88 88 PRO CA C 88 62.960 62.960 62.976 -0.016 19906 766 1 2 . 1 1 88 88 PRO CB C 88 31.460 31.460 32.312 -0.852 19906 767 1 2 . 1 1 89 89 THR N N 89 114.280 114.280 116.771 -2.491 19906 768 1 2 . 1 1 89 89 THR HA H 89 4.340 4.340 4.553 -0.213 19906 769 1 2 . 1 1 89 89 THR CA C 89 62.320 62.320 61.329 0.991 19906 770 1 2 . 1 1 89 89 THR CB C 89 69.530 69.530 69.783 -0.253 19906 771 1 2 . 1 1 89 89 THR H H 89 8.270 8.270 8.190 0.080 19906 772 1 2 . 1 1 90 90 THR N N 90 116.290 116.290 118.834 -2.544 19906 773 1 2 . 1 1 90 90 THR HA H 90 4.330 4.330 4.402 -0.072 19906 774 1 2 . 1 1 90 90 THR CA C 90 61.890 61.890 61.158 0.732 19906 775 1 2 . 1 1 90 90 THR CB C 90 69.500 69.500 69.488 0.012 19906 776 1 2 . 1 1 90 90 THR H H 90 8.090 8.090 8.221 -0.131 19906 777 1 2 . 1 1 91 91 LEU N N 91 124.660 124.660 120.209 4.451 19906 778 1 2 . 1 1 91 91 LEU HA H 91 4.410 4.410 4.227 0.183 19906 779 1 2 . 1 1 91 91 LEU CA C 91 55.590 55.590 55.015 0.575 19906 780 1 2 . 1 1 91 91 LEU CB C 91 41.600 41.600 41.981 -0.381 19906 781 1 2 . 1 1 91 91 LEU H H 91 8.290 8.290 8.201 0.089 19906 782 1 2 . 1 1 92 92 THR N N 92 115.030 115.030 114.066 0.964 19906 783 1 2 . 1 1 92 92 THR HA H 92 4.300 4.300 4.136 0.164 19906 784 1 2 . 1 1 92 92 THR CA C 92 61.890 61.890 63.234 -1.344 19906 785 1 2 . 1 1 92 92 THR CB C 92 69.500 69.500 69.165 0.335 19906 786 1 2 . 1 1 92 92 THR H H 92 8.100 8.100 8.047 0.053 19906 787 1 2 . 1 1 93 93 GLN N N 93 123.200 123.200 126.914 -3.714 19906 788 1 2 . 1 1 93 93 GLN HA H 93 4.350 4.350 4.219 0.131 19906 789 1 2 . 1 1 93 93 GLN CA C 93 55.720 55.720 56.251 -0.531 19906 790 1 2 . 1 1 93 93 GLN CB C 93 29.050 29.050 29.156 -0.106 19906 791 1 2 . 1 1 93 93 GLN H H 93 8.380 8.380 8.258 0.122 19906 792 1 2 . 1 1 94 94 GLN N N 94 122.720 122.720 119.592 3.128 19906 793 1 2 . 1 1 94 94 GLN HA H 94 4.400 4.400 4.083 0.317 19906 794 1 2 . 1 1 94 94 GLN CA C 94 55.780 55.780 55.534 0.246 19906 795 1 2 . 1 1 94 94 GLN CB C 94 29.100 29.100 28.784 0.316 19906 796 1 2 . 1 1 94 94 GLN H H 94 8.480 8.480 8.464 0.016 19906 797 1 3 . 1 1 4 4 SER HA H 4 4.400 4.400 4.606 -0.206 19906 798 1 3 . 1 1 4 4 SER CA C 4 58.290 58.290 58.441 -0.151 19906 799 1 3 . 1 1 4 4 SER CB C 4 63.790 63.790 63.460 0.330 19906 800 1 3 . 1 1 5 5 GLU N N 5 121.960 121.960 120.980 0.980 19906 801 1 3 . 1 1 5 5 GLU HA H 5 4.410 4.410 4.417 -0.007 19906 802 1 3 . 1 1 5 5 GLU CA C 5 55.610 55.610 56.830 -1.220 19906 803 1 3 . 1 1 5 5 GLU CB C 5 31.950 31.950 30.767 1.183 19906 804 1 3 . 1 1 5 5 GLU H H 5 8.450 8.450 8.590 -0.140 19906 805 1 3 . 1 1 6 6 VAL N N 6 122.170 122.170 123.882 -1.712 19906 806 1 3 . 1 1 6 6 VAL HA H 6 4.070 4.070 4.372 -0.302 19906 807 1 3 . 1 1 6 6 VAL CA C 6 56.380 56.380 59.968 -3.588 19906 808 1 3 . 1 1 6 6 VAL CB C 6 29.500 29.500 31.801 -2.301 19906 809 1 3 . 1 1 6 6 VAL H H 6 8.260 8.260 8.205 0.055 19906 810 1 3 . 1 1 9 9 LEU N N 9 123.830 123.830 122.315 1.515 19906 811 1 3 . 1 1 9 9 LEU HA H 9 4.490 4.490 4.501 -0.011 19906 812 1 3 . 1 1 9 9 LEU CA C 9 54.820 54.820 54.159 0.661 19906 813 1 3 . 1 1 9 9 LEU CB C 9 41.930 41.930 41.694 0.235 19906 814 1 3 . 1 1 9 9 LEU H H 9 7.770 7.770 7.999 -0.229 19906 815 1 3 . 1 1 11 11 ASP HA H 11 4.730 4.730 4.744 -0.014 19906 816 1 3 . 1 1 11 11 ASP CA C 11 53.060 53.060 53.834 -0.774 19906 817 1 3 . 1 1 11 11 ASP CB C 11 38.110 38.110 41.898 -3.788 19906 818 1 3 . 1 1 12 12 LEU N N 12 122.730 122.730 121.507 1.223 19906 819 1 3 . 1 1 12 12 LEU HA H 12 4.660 4.660 4.280 0.380 19906 820 1 3 . 1 1 12 12 LEU CA C 12 55.130 55.130 55.327 -0.197 19906 821 1 3 . 1 1 12 12 LEU CB C 12 43.390 43.390 43.058 0.332 19906 822 1 3 . 1 1 12 12 LEU H H 12 7.420 7.420 8.272 -0.852 19906 823 1 3 . 1 1 13 13 SER N N 13 120.760 120.760 117.387 3.373 19906 824 1 3 . 1 1 13 13 SER HA H 13 4.270 4.270 4.708 -0.438 19906 825 1 3 . 1 1 13 13 SER CA C 13 56.880 56.880 57.106 -0.226 19906 826 1 3 . 1 1 13 13 SER CB C 13 65.890 65.890 65.976 -0.086 19906 827 1 3 . 1 1 13 13 SER H H 13 9.020 9.020 8.032 0.988 19906 828 1 3 . 1 1 14 14 PHE N N 14 119.920 119.920 120.522 -0.602 19906 829 1 3 . 1 1 14 14 PHE HA H 14 5.510 5.510 4.897 0.613 19906 830 1 3 . 1 1 14 14 PHE CA C 14 56.760 56.760 56.631 0.129 19906 831 1 3 . 1 1 14 14 PHE CB C 14 39.930 39.930 41.499 -1.569 19906 832 1 3 . 1 1 14 14 PHE H H 14 8.370 8.370 8.654 -0.284 19906 833 1 3 . 1 1 15 15 VAL N N 15 117.820 117.820 116.623 1.197 19906 834 1 3 . 1 1 15 15 VAL HA H 15 4.680 4.680 4.509 0.171 19906 835 1 3 . 1 1 15 15 VAL CA C 15 58.880 58.880 60.761 -1.881 19906 836 1 3 . 1 1 15 15 VAL CB C 15 36.900 36.900 35.329 1.571 19906 837 1 3 . 1 1 15 15 VAL H H 15 9.100 9.100 8.497 0.603 19906 838 1 3 . 1 1 16 16 ASP N N 16 116.850 116.850 119.897 -3.047 19906 839 1 3 . 1 1 16 16 ASP HA H 16 4.190 4.190 4.268 -0.078 19906 840 1 3 . 1 1 16 16 ASP CA C 16 54.550 54.550 55.259 -0.709 19906 841 1 3 . 1 1 16 16 ASP CB C 16 38.920 38.920 40.336 -1.416 19906 842 1 3 . 1 1 16 16 ASP H H 16 8.520 8.520 8.762 -0.242 19906 843 1 3 . 1 1 17 17 ILE N N 17 118.600 118.600 119.637 -1.037 19906 844 1 3 . 1 1 17 17 ILE HA H 17 4.150 4.150 3.952 0.198 19906 845 1 3 . 1 1 17 17 ILE CA C 17 63.190 63.190 62.789 0.401 19906 846 1 3 . 1 1 17 17 ILE CB C 17 37.770 37.770 38.501 -0.731 19906 847 1 3 . 1 1 17 17 ILE H H 17 8.150 8.150 7.986 0.164 19906 848 1 3 . 1 1 18 18 THR N N 18 122.160 122.160 121.380 0.780 19906 849 1 3 . 1 1 18 18 THR HA H 18 4.910 4.910 4.554 0.356 19906 850 1 3 . 1 1 18 18 THR CA C 18 60.570 60.570 61.093 -0.523 19906 851 1 3 . 1 1 18 18 THR CB C 18 70.600 70.600 70.427 0.173 19906 852 1 3 . 1 1 18 18 THR H H 18 8.740 8.740 8.196 0.544 19906 853 1 3 . 1 1 19 19 ASP N N 19 115.600 115.600 121.453 -5.853 19906 854 1 3 . 1 1 19 19 ASP HA H 19 4.480 4.480 4.510 -0.030 19906 855 1 3 . 1 1 19 19 ASP CA C 19 54.880 54.880 55.730 -0.849 19906 856 1 3 . 1 1 19 19 ASP CB C 19 40.430 40.430 40.172 0.258 19906 857 1 3 . 1 1 19 19 ASP H H 19 8.450 8.450 8.649 -0.199 19906 858 1 3 . 1 1 20 20 SER N N 20 108.500 108.500 113.821 -5.321 19906 859 1 3 . 1 1 20 20 SER HA H 20 4.620 4.620 4.575 0.045 19906 860 1 3 . 1 1 20 20 SER CA C 20 57.660 57.660 57.598 0.062 19906 861 1 3 . 1 1 20 20 SER CB C 20 66.090 66.090 63.744 2.346 19906 862 1 3 . 1 1 20 20 SER H H 20 8.120 8.120 7.997 0.123 19906 863 1 3 . 1 1 21 21 SER N N 21 116.590 116.590 114.587 2.003 19906 864 1 3 . 1 1 21 21 SER HA H 21 5.230 5.230 5.290 -0.060 19906 865 1 3 . 1 1 21 21 SER CA C 21 56.730 56.730 57.303 -0.573 19906 866 1 3 . 1 1 21 21 SER CB C 21 66.730 66.730 65.679 1.051 19906 867 1 3 . 1 1 21 21 SER H H 21 7.530 7.530 7.530 0.000 19906 868 1 3 . 1 1 22 22 ILE N N 22 113.850 113.850 116.329 -2.479 19906 869 1 3 . 1 1 22 22 ILE HA H 22 4.490 4.490 4.738 -0.248 19906 870 1 3 . 1 1 22 22 ILE CA C 22 60.320 60.320 59.044 1.276 19906 871 1 3 . 1 1 22 22 ILE CB C 22 42.650 42.650 41.848 0.802 19906 872 1 3 . 1 1 22 22 ILE H H 22 8.210 8.210 7.909 0.301 19906 873 1 3 . 1 1 23 23 GLY N N 23 112.950 112.950 112.960 -0.010 19906 874 1 3 . 1 1 23 23 GLY CA C 23 44.110 44.110 43.829 0.281 19906 875 1 3 . 1 1 23 23 GLY H H 23 8.300 8.300 8.408 -0.108 19906 876 1 3 . 1 1 24 24 LEU N N 24 123.740 123.740 126.436 -2.696 19906 877 1 3 . 1 1 24 24 LEU HA H 24 4.820 4.820 4.283 0.537 19906 878 1 3 . 1 1 24 24 LEU CA C 24 53.930 53.930 55.519 -1.589 19906 879 1 3 . 1 1 24 24 LEU CB C 24 42.470 42.470 42.366 0.104 19906 880 1 3 . 1 1 24 24 LEU H H 24 8.820 8.820 7.865 0.955 19906 881 1 3 . 1 1 25 25 ARG N N 25 119.980 119.980 124.214 -4.234 19906 882 1 3 . 1 1 25 25 ARG HA H 25 4.890 4.890 4.590 0.300 19906 883 1 3 . 1 1 25 25 ARG CA C 25 54.040 54.040 54.827 -0.787 19906 884 1 3 . 1 1 25 25 ARG CB C 25 33.850 33.850 34.384 -0.534 19906 885 1 3 . 1 1 25 25 ARG H H 25 8.570 8.570 7.980 0.590 19906 886 1 3 . 1 1 26 26 TRP N N 26 122.480 122.480 124.187 -1.707 19906 887 1 3 . 1 1 26 26 TRP HA H 26 4.840 4.840 5.072 -0.232 19906 888 1 3 . 1 1 26 26 TRP CA C 26 56.790 56.790 56.131 0.659 19906 889 1 3 . 1 1 26 26 TRP CB C 26 31.460 31.460 30.948 0.512 19906 890 1 3 . 1 1 26 26 TRP H H 26 7.960 7.960 7.537 0.423 19906 891 1 3 . 1 1 27 27 THR N N 27 119.820 119.820 119.102 0.718 19906 892 1 3 . 1 1 27 27 THR HA H 27 4.750 4.750 4.652 0.098 19906 893 1 3 . 1 1 27 27 THR CA C 27 60.690 60.690 60.273 0.416 19906 894 1 3 . 1 1 27 27 THR CB C 27 68.460 68.460 68.932 -0.472 19906 895 1 3 . 1 1 27 27 THR H H 27 9.780 9.780 8.516 1.264 19906 896 1 3 . 1 1 28 28 PRO HA H 28 4.470 4.470 4.528 -0.058 19906 897 1 3 . 1 1 28 28 PRO CA C 28 63.260 63.260 63.250 0.010 19906 898 1 3 . 1 1 28 28 PRO CB C 28 31.980 31.980 32.300 -0.320 19906 899 1 3 . 1 1 29 29 LEU N N 29 124.220 124.220 121.564 2.656 19906 900 1 3 . 1 1 29 29 LEU HA H 29 4.490 4.490 4.609 -0.119 19906 901 1 3 . 1 1 29 29 LEU CA C 29 54.150 54.150 53.968 0.182 19906 902 1 3 . 1 1 29 29 LEU CB C 29 43.040 43.040 42.920 0.120 19906 903 1 3 . 1 1 29 29 LEU H H 29 8.570 8.570 8.360 0.210 19906 904 1 3 . 1 1 30 30 ASN N N 30 119.950 119.950 123.097 -3.147 19906 905 1 3 . 1 1 30 30 ASN HA H 30 4.700 4.700 4.354 0.346 19906 906 1 3 . 1 1 30 30 ASN CA C 30 53.570 53.570 55.630 -2.060 19906 907 1 3 . 1 1 30 30 ASN CB C 30 38.340 38.340 38.495 -0.155 19906 908 1 3 . 1 1 30 30 ASN H H 30 8.630 8.630 9.107 -0.477 19906 909 1 3 . 1 1 31 31 SER N N 31 114.290 114.290 112.153 2.137 19906 910 1 3 . 1 1 31 31 SER HA H 31 4.560 4.560 4.490 0.070 19906 911 1 3 . 1 1 31 31 SER CA C 31 57.500 57.500 59.232 -1.732 19906 912 1 3 . 1 1 31 31 SER CB C 31 63.480 63.480 63.564 -0.084 19906 913 1 3 . 1 1 31 31 SER H H 31 8.090 8.090 8.286 -0.196 19906 914 1 3 . 1 1 32 32 SER HA H 32 4.560 4.560 4.368 0.192 19906 915 1 3 . 1 1 32 32 SER CA C 32 58.140 58.140 59.588 -1.448 19906 916 1 3 . 1 1 32 32 SER CB C 32 63.730 63.730 63.477 0.253 19906 917 1 3 . 1 1 33 33 THR N N 33 114.160 114.160 119.889 -5.729 19906 918 1 3 . 1 1 33 33 THR HA H 33 4.300 4.300 4.167 0.133 19906 919 1 3 . 1 1 33 33 THR CA C 33 63.620 63.620 64.037 -0.417 19906 920 1 3 . 1 1 33 33 THR CB C 33 69.530 69.530 69.363 0.167 19906 921 1 3 . 1 1 33 33 THR H H 33 8.000 8.000 8.126 -0.126 19906 922 1 3 . 1 1 34 34 ILE N N 34 121.090 121.090 125.826 -4.736 19906 923 1 3 . 1 1 34 34 ILE HA H 34 4.300 4.300 4.234 0.066 19906 924 1 3 . 1 1 34 34 ILE CA C 34 61.920 61.920 60.051 1.869 19906 925 1 3 . 1 1 34 34 ILE CB C 34 38.080 38.080 35.770 2.310 19906 926 1 3 . 1 1 34 34 ILE H H 34 7.980 7.980 8.681 -0.701 19906 927 1 3 . 1 1 35 35 ILE N N 35 126.230 126.230 121.942 4.288 19906 928 1 3 . 1 1 35 35 ILE HA H 35 4.220 4.220 4.424 -0.204 19906 929 1 3 . 1 1 35 35 ILE CA C 35 61.720 61.720 59.467 2.253 19906 930 1 3 . 1 1 35 35 ILE CB C 35 38.790 38.790 41.483 -2.693 19906 931 1 3 . 1 1 35 35 ILE H H 35 8.810 8.810 7.670 1.140 19906 932 1 3 . 1 1 36 36 GLY CA C 36 45.520 45.520 45.385 0.135 19906 933 1 3 . 1 1 37 37 TYR N N 37 120.400 120.400 123.088 -2.688 19906 934 1 3 . 1 1 37 37 TYR HA H 37 5.070 5.070 4.859 0.211 19906 935 1 3 . 1 1 37 37 TYR CA C 37 57.930 57.930 55.704 2.226 19906 936 1 3 . 1 1 37 37 TYR CB C 37 38.950 38.950 40.339 -1.389 19906 937 1 3 . 1 1 37 37 TYR H H 37 7.340 7.340 7.511 -0.171 19906 938 1 3 . 1 1 38 38 ARG HA H 38 5.150 5.150 4.885 0.265 19906 939 1 3 . 1 1 38 38 ARG CA C 38 54.450 54.450 54.532 -0.082 19906 940 1 3 . 1 1 38 38 ARG CB C 38 31.530 31.530 33.071 -1.541 19906 941 1 3 . 1 1 39 39 ILE N N 39 129.570 129.570 125.173 4.397 19906 942 1 3 . 1 1 39 39 ILE HA H 39 5.060 5.060 4.542 0.518 19906 943 1 3 . 1 1 39 39 ILE CA C 39 60.030 60.030 60.508 -0.478 19906 944 1 3 . 1 1 39 39 ILE CB C 39 40.780 40.780 38.587 2.193 19906 945 1 3 . 1 1 39 39 ILE H H 39 9.040 9.040 8.421 0.619 19906 946 1 3 . 1 1 40 40 THR N N 40 120.430 120.430 124.051 -3.621 19906 947 1 3 . 1 1 40 40 THR HA H 40 5.210 5.210 4.571 0.639 19906 948 1 3 . 1 1 40 40 THR CA C 40 61.130 61.130 61.893 -0.763 19906 949 1 3 . 1 1 40 40 THR CB C 40 71.090 71.090 70.473 0.617 19906 950 1 3 . 1 1 40 40 THR H H 40 8.880 8.880 8.074 0.806 19906 951 1 3 . 1 1 41 41 VAL HA H 41 5.030 5.030 4.512 0.518 19906 952 1 3 . 1 1 41 41 VAL CA C 41 61.280 61.280 59.873 1.407 19906 953 1 3 . 1 1 41 41 VAL CB C 41 33.800 33.800 34.841 -1.041 19906 954 1 3 . 1 1 41 41 VAL H H 41 8.820 8.820 8.468 0.352 19906 955 1 3 . 1 1 42 42 VAL N N 42 127.670 127.670 126.216 1.454 19906 956 1 3 . 1 1 42 42 VAL HA H 42 4.650 4.650 4.337 0.313 19906 957 1 3 . 1 1 42 42 VAL CA C 42 60.320 60.320 60.169 0.151 19906 958 1 3 . 1 1 42 42 VAL CB C 42 35.800 35.800 36.313 -0.513 19906 959 1 3 . 1 1 42 42 VAL H H 42 9.100 9.100 9.163 -0.063 19906 960 1 3 . 1 1 43 43 ALA N N 43 131.340 131.340 127.840 3.500 19906 961 1 3 . 1 1 43 43 ALA HA H 43 4.410 4.410 3.756 0.654 19906 962 1 3 . 1 1 43 43 ALA CA C 43 52.420 52.420 50.759 1.661 19906 963 1 3 . 1 1 43 43 ALA CB C 43 18.750 18.750 19.451 -0.701 19906 964 1 3 . 1 1 43 43 ALA H H 43 9.420 9.420 8.411 1.009 19906 965 1 3 . 1 1 44 44 ALA N N 44 126.040 126.040 127.114 -1.074 19906 966 1 3 . 1 1 44 44 ALA HA H 44 4.120 4.120 4.251 -0.131 19906 967 1 3 . 1 1 44 44 ALA CA C 44 53.790 53.790 53.504 0.286 19906 968 1 3 . 1 1 44 44 ALA CB C 44 18.680 18.680 19.642 -0.962 19906 969 1 3 . 1 1 44 44 ALA H H 44 8.260 8.260 8.119 0.141 19906 970 1 3 . 1 1 45 45 GLY CA C 45 45.620 45.620 44.761 0.859 19906 971 1 3 . 1 1 45 45 GLY H H 45 8.700 8.700 7.872 0.828 19906 972 1 3 . 1 1 46 46 GLU N N 46 119.650 119.650 119.218 0.432 19906 973 1 3 . 1 1 46 46 GLU HA H 46 4.470 4.470 4.476 -0.006 19906 974 1 3 . 1 1 46 46 GLU CA C 46 55.870 55.870 55.492 0.378 19906 975 1 3 . 1 1 46 46 GLU CB C 46 30.520 30.520 32.598 -2.078 19906 976 1 3 . 1 1 46 46 GLU H H 46 8.110 8.110 7.232 0.878 19906 977 1 3 . 1 1 47 47 GLY N N 47 107.160 107.160 109.259 -2.099 19906 978 1 3 . 1 1 47 47 GLY CA C 47 45.910 45.910 45.762 0.148 19906 979 1 3 . 1 1 47 47 GLY H H 47 8.400 8.400 8.650 -0.250 19906 980 1 3 . 1 1 48 48 ILE N N 48 120.010 120.010 120.697 -0.687 19906 981 1 3 . 1 1 48 48 ILE HA H 48 4.620 4.620 4.374 0.246 19906 982 1 3 . 1 1 48 48 ILE CA C 48 58.500 58.500 57.958 0.542 19906 983 1 3 . 1 1 48 48 ILE CB C 48 39.400 39.400 41.214 -1.813 19906 984 1 3 . 1 1 48 48 ILE H H 48 7.440 7.440 7.577 -0.137 19906 985 1 3 . 1 1 49 49 PRO HA H 49 4.530 4.530 4.449 0.081 19906 986 1 3 . 1 1 49 49 PRO CA C 49 63.590 63.590 62.296 1.294 19906 987 1 3 . 1 1 49 49 PRO CB C 49 31.880 31.880 32.116 -0.236 19906 988 1 3 . 1 1 50 50 ILE N N 50 122.120 122.120 119.263 2.857 19906 989 1 3 . 1 1 50 50 ILE HA H 50 4.150 4.150 3.989 0.161 19906 990 1 3 . 1 1 50 50 ILE CA C 50 63.310 63.310 60.337 2.973 19906 991 1 3 . 1 1 50 50 ILE CB C 50 38.020 38.020 38.498 -0.478 19906 992 1 3 . 1 1 50 50 ILE H H 50 8.720 8.720 7.914 0.806 19906 993 1 3 . 1 1 51 51 PHE HA H 51 4.770 4.770 4.597 0.173 19906 994 1 3 . 1 1 51 51 PHE CA C 51 57.900 57.900 58.023 -0.123 19906 995 1 3 . 1 1 51 51 PHE CB C 51 41.870 41.870 39.511 2.358 19906 996 1 3 . 1 1 52 52 GLU HA H 52 5.350 5.350 4.277 1.073 19906 997 1 3 . 1 1 52 52 GLU CA C 52 55.140 55.140 56.155 -1.015 19906 998 1 3 . 1 1 52 52 GLU CB C 52 32.030 32.030 30.853 1.177 19906 999 1 3 . 1 1 53 53 ASP N N 53 122.750 122.750 119.155 3.595 19906 1000 1 3 . 1 1 53 53 ASP HA H 53 5.000 5.000 4.757 0.243 19906 1001 1 3 . 1 1 53 53 ASP CA C 53 52.950 52.950 53.423 -0.473 19906 1002 1 3 . 1 1 53 53 ASP CB C 53 44.770 44.770 44.916 -0.146 19906 1003 1 3 . 1 1 53 53 ASP H H 53 8.850 8.850 7.779 1.071 19906 1004 1 3 . 1 1 54 54 PHE N N 54 121.100 121.100 120.305 0.795 19906 1005 1 3 . 1 1 54 54 PHE HA H 54 5.380 5.380 5.159 0.221 19906 1006 1 3 . 1 1 54 54 PHE CA C 54 56.180 56.180 56.895 -0.716 19906 1007 1 3 . 1 1 54 54 PHE CB C 54 42.110 42.110 40.427 1.683 19906 1008 1 3 . 1 1 54 54 PHE H H 54 8.770 8.770 8.524 0.246 19906 1009 1 3 . 1 1 55 55 VAL N N 55 125.760 125.760 125.093 0.667 19906 1010 1 3 . 1 1 55 55 VAL HA H 55 4.320 4.320 4.336 -0.016 19906 1011 1 3 . 1 1 55 55 VAL CA C 55 59.140 59.140 59.562 -0.422 19906 1012 1 3 . 1 1 55 55 VAL CB C 55 34.940 34.940 36.176 -1.236 19906 1013 1 3 . 1 1 55 55 VAL H H 55 8.290 8.290 8.048 0.242 19906 1014 1 3 . 1 1 56 56 ASP N N 56 127.100 127.100 127.304 -0.204 19906 1015 1 3 . 1 1 56 56 ASP HA H 56 4.560 4.560 4.470 0.090 19906 1016 1 3 . 1 1 56 56 ASP CA C 56 54.980 54.980 54.431 0.548 19906 1017 1 3 . 1 1 56 56 ASP CB C 56 42.730 42.730 41.626 1.104 19906 1018 1 3 . 1 1 56 56 ASP H H 56 8.460 8.460 8.451 0.009 19906 1019 1 3 . 1 1 57 57 SER N N 57 119.630 119.630 115.657 3.973 19906 1020 1 3 . 1 1 57 57 SER HA H 57 4.330 4.330 4.122 0.208 19906 1021 1 3 . 1 1 57 57 SER CA C 57 60.630 60.630 60.886 -0.256 19906 1022 1 3 . 1 1 57 57 SER CB C 57 62.680 62.680 63.117 -0.437 19906 1023 1 3 . 1 1 57 57 SER H H 57 8.260 8.260 8.465 -0.205 19906 1024 1 3 . 1 1 58 58 SER N N 58 117.030 117.030 115.008 2.022 19906 1025 1 3 . 1 1 58 58 SER HA H 58 4.400 4.400 4.203 0.197 19906 1026 1 3 . 1 1 58 58 SER CA C 58 60.430 60.430 61.122 -0.692 19906 1027 1 3 . 1 1 58 58 SER CB C 58 63.700 63.700 62.813 0.887 19906 1028 1 3 . 1 1 58 58 SER H H 58 9.080 9.080 8.136 0.944 19906 1029 1 3 . 1 1 59 59 VAL N N 59 119.350 119.350 119.084 0.266 19906 1030 1 3 . 1 1 59 59 VAL HA H 59 3.790 3.790 3.412 0.378 19906 1031 1 3 . 1 1 59 59 VAL CA C 59 65.670 65.670 64.907 0.763 19906 1032 1 3 . 1 1 59 59 VAL CB C 59 32.400 32.400 31.553 0.847 19906 1033 1 3 . 1 1 59 59 VAL H H 59 7.570 7.570 7.267 0.303 19906 1034 1 3 . 1 1 60 60 GLY N N 60 104.070 104.070 106.147 -2.077 19906 1035 1 3 . 1 1 60 60 GLY CA C 60 44.430 44.430 45.819 -1.389 19906 1036 1 3 . 1 1 60 60 GLY H H 60 6.120 6.120 7.580 -1.460 19906 1037 1 3 . 1 1 61 61 TYR N N 61 117.690 117.690 118.375 -0.685 19906 1038 1 3 . 1 1 61 61 TYR HA H 61 5.030 5.030 5.001 0.029 19906 1039 1 3 . 1 1 61 61 TYR CA C 61 56.320 56.320 54.270 2.050 19906 1040 1 3 . 1 1 61 61 TYR CB C 61 41.700 41.700 40.510 1.190 19906 1041 1 3 . 1 1 61 61 TYR H H 61 6.080 6.080 6.859 -0.779 19906 1042 1 3 . 1 1 62 62 TYR N N 62 126.650 126.650 120.262 6.388 19906 1043 1 3 . 1 1 62 62 TYR HA H 62 4.440 4.440 4.847 -0.407 19906 1044 1 3 . 1 1 62 62 TYR CA C 62 58.560 58.560 57.744 0.816 19906 1045 1 3 . 1 1 62 62 TYR CB C 62 43.550 43.550 43.128 0.422 19906 1046 1 3 . 1 1 62 62 TYR H H 62 8.440 8.440 8.814 -0.374 19906 1047 1 3 . 1 1 63 63 THR N N 63 122.160 122.160 118.487 3.673 19906 1048 1 3 . 1 1 63 63 THR HA H 63 4.780 4.780 4.709 0.071 19906 1049 1 3 . 1 1 63 63 THR CA C 63 61.610 61.610 60.737 0.873 19906 1050 1 3 . 1 1 63 63 THR CB C 63 69.810 69.810 70.172 -0.362 19906 1051 1 3 . 1 1 63 63 THR H H 63 7.380 7.380 7.129 0.251 19906 1052 1 3 . 1 1 64 64 VAL N N 64 127.940 127.940 124.370 3.570 19906 1053 1 3 . 1 1 64 64 VAL HA H 64 3.660 3.660 4.668 -1.008 19906 1054 1 3 . 1 1 64 64 VAL CA C 64 61.840 61.840 60.936 0.904 19906 1055 1 3 . 1 1 64 64 VAL CB C 64 31.840 31.840 32.562 -0.722 19906 1056 1 3 . 1 1 64 64 VAL H H 64 8.860 8.860 8.214 0.646 19906 1057 1 3 . 1 1 65 65 THR N N 65 116.150 116.150 116.446 -0.296 19906 1058 1 3 . 1 1 65 65 THR HA H 65 4.640 4.640 5.131 -0.491 19906 1059 1 3 . 1 1 65 65 THR CA C 65 59.470 59.470 59.617 -0.147 19906 1060 1 3 . 1 1 65 65 THR CB C 65 71.160 71.160 70.964 0.196 19906 1061 1 3 . 1 1 65 65 THR H H 65 7.290 7.290 8.191 -0.901 19906 1062 1 3 . 1 1 66 66 GLY N N 66 105.560 105.560 108.268 -2.708 19906 1063 1 3 . 1 1 66 66 GLY CA C 66 45.860 45.860 44.918 0.942 19906 1064 1 3 . 1 1 66 66 GLY H H 66 8.450 8.450 8.279 0.171 19906 1065 1 3 . 1 1 67 67 LEU N N 67 119.080 119.080 120.809 -1.729 19906 1066 1 3 . 1 1 67 67 LEU HA H 67 4.180 4.180 3.953 0.227 19906 1067 1 3 . 1 1 67 67 LEU CA C 67 53.380 53.380 52.649 0.731 19906 1068 1 3 . 1 1 67 67 LEU CB C 67 41.630 41.630 40.916 0.714 19906 1069 1 3 . 1 1 67 67 LEU H H 67 7.850 7.850 8.059 -0.209 19906 1070 1 3 . 1 1 68 68 GLU N N 68 120.030 120.030 124.025 -3.995 19906 1071 1 3 . 1 1 68 68 GLU HA H 68 4.920 4.920 4.248 0.672 19906 1072 1 3 . 1 1 68 68 GLU CA C 68 52.510 52.510 55.287 -2.777 19906 1073 1 3 . 1 1 68 68 GLU CB C 68 31.040 31.040 29.026 2.014 19906 1074 1 3 . 1 1 68 68 GLU H H 68 8.500 8.500 8.596 -0.096 19906 1075 1 3 . 1 1 69 69 PRO HA H 69 4.470 4.470 4.395 0.075 19906 1076 1 3 . 1 1 69 69 PRO CA C 69 62.740 62.740 63.071 -0.331 19906 1077 1 3 . 1 1 69 69 PRO CB C 69 31.410 31.410 32.236 -0.826 19906 1078 1 3 . 1 1 70 70 GLY N N 70 106.940 106.940 108.641 -1.701 19906 1079 1 3 . 1 1 70 70 GLY CA C 70 45.830 45.830 45.687 0.143 19906 1080 1 3 . 1 1 70 70 GLY H H 70 8.500 8.500 8.815 -0.315 19906 1081 1 3 . 1 1 71 71 ILE N N 71 120.080 120.080 121.821 -1.741 19906 1082 1 3 . 1 1 71 71 ILE HA H 71 4.080 4.080 4.210 -0.130 19906 1083 1 3 . 1 1 71 71 ILE CA C 71 58.710 58.710 60.151 -1.441 19906 1084 1 3 . 1 1 71 71 ILE CB C 71 40.410 40.410 39.653 0.757 19906 1085 1 3 . 1 1 71 71 ILE H H 71 7.510 7.510 7.437 0.073 19906 1086 1 3 . 1 1 72 72 ASP N N 72 124.920 124.920 127.777 -2.857 19906 1087 1 3 . 1 1 72 72 ASP HA H 72 4.930 4.930 4.621 0.309 19906 1088 1 3 . 1 1 72 72 ASP CA C 72 54.260 54.260 53.823 0.437 19906 1089 1 3 . 1 1 72 72 ASP CB C 72 41.120 41.120 41.433 -0.313 19906 1090 1 3 . 1 1 72 72 ASP H H 72 8.190 8.190 8.564 -0.374 19906 1091 1 3 . 1 1 73 73 TYR N N 73 122.440 122.440 125.029 -2.589 19906 1092 1 3 . 1 1 73 73 TYR HA H 73 5.070 5.070 4.786 0.284 19906 1093 1 3 . 1 1 73 73 TYR CA C 73 57.390 57.390 57.666 -0.276 19906 1094 1 3 . 1 1 73 73 TYR CB C 73 40.550 40.550 40.560 -0.010 19906 1095 1 3 . 1 1 73 73 TYR H H 73 9.310 9.310 8.475 0.835 19906 1096 1 3 . 1 1 74 74 ASP N N 74 122.980 122.980 126.233 -3.253 19906 1097 1 3 . 1 1 74 74 ASP HA H 74 5.220 5.220 4.907 0.313 19906 1098 1 3 . 1 1 74 74 ASP CA C 74 53.900 53.900 53.850 0.050 19906 1099 1 3 . 1 1 74 74 ASP CB C 74 42.120 42.120 41.368 0.751 19906 1100 1 3 . 1 1 74 74 ASP H H 74 9.290 9.290 8.909 0.381 19906 1101 1 3 . 1 1 75 75 ILE N N 75 124.270 124.270 120.273 3.997 19906 1102 1 3 . 1 1 75 75 ILE HA H 75 5.470 5.470 4.870 0.600 19906 1103 1 3 . 1 1 75 75 ILE CA C 75 58.400 58.400 58.268 0.132 19906 1104 1 3 . 1 1 75 75 ILE CB C 75 40.900 40.900 40.594 0.306 19906 1105 1 3 . 1 1 75 75 ILE H H 75 8.810 8.810 8.127 0.683 19906 1106 1 3 . 1 1 76 76 SER N N 76 121.300 121.300 117.852 3.448 19906 1107 1 3 . 1 1 76 76 SER HA H 76 5.800 5.800 4.806 0.994 19906 1108 1 3 . 1 1 76 76 SER CA C 76 56.340 56.340 57.997 -1.657 19906 1109 1 3 . 1 1 76 76 SER CB C 76 66.180 66.180 65.392 0.788 19906 1110 1 3 . 1 1 76 76 SER H H 76 8.760 8.760 8.671 0.089 19906 1111 1 3 . 1 1 77 77 VAL N N 77 124.740 124.740 125.063 -0.323 19906 1112 1 3 . 1 1 77 77 VAL HA H 77 4.760 4.760 4.221 0.539 19906 1113 1 3 . 1 1 77 77 VAL CA C 77 61.190 61.190 61.884 -0.694 19906 1114 1 3 . 1 1 77 77 VAL CB C 77 33.270 33.270 32.818 0.452 19906 1115 1 3 . 1 1 77 77 VAL H H 77 9.420 9.420 8.453 0.967 19906 1116 1 3 . 1 1 78 78 ILE N N 78 126.300 126.300 128.341 -2.041 19906 1117 1 3 . 1 1 78 78 ILE HA H 78 4.710 4.710 4.319 0.391 19906 1118 1 3 . 1 1 78 78 ILE CA C 78 61.160 61.160 60.325 0.835 19906 1119 1 3 . 1 1 78 78 ILE CB C 78 41.050 41.050 40.494 0.556 19906 1120 1 3 . 1 1 78 78 ILE H H 78 9.370 9.370 8.498 0.872 19906 1121 1 3 . 1 1 79 79 THR N N 79 122.350 122.350 120.310 2.040 19906 1122 1 3 . 1 1 79 79 THR HA H 79 4.280 4.280 3.978 0.302 19906 1123 1 3 . 1 1 79 79 THR CA C 79 64.260 64.260 61.152 3.108 19906 1124 1 3 . 1 1 79 79 THR CB C 79 69.130 69.130 69.284 -0.155 19906 1125 1 3 . 1 1 79 79 THR H H 79 8.550 8.550 8.203 0.347 19906 1126 1 3 . 1 1 80 80 LEU N N 80 128.900 128.900 130.042 -1.142 19906 1127 1 3 . 1 1 80 80 LEU HA H 80 4.730 4.730 4.666 0.064 19906 1128 1 3 . 1 1 80 80 LEU CA C 80 54.060 54.060 54.022 0.038 19906 1129 1 3 . 1 1 80 80 LEU CB C 80 41.470 41.470 43.349 -1.879 19906 1130 1 3 . 1 1 80 80 LEU H H 80 8.660 8.660 8.178 0.482 19906 1131 1 3 . 1 1 81 81 ILE N N 81 121.640 121.640 118.547 3.093 19906 1132 1 3 . 1 1 81 81 ILE HA H 81 4.870 4.870 4.492 0.378 19906 1133 1 3 . 1 1 81 81 ILE CA C 81 59.300 59.300 59.875 -0.575 19906 1134 1 3 . 1 1 81 81 ILE CB C 81 40.510 40.510 41.615 -1.105 19906 1135 1 3 . 1 1 81 81 ILE H H 81 8.350 8.350 7.855 0.495 19906 1136 1 3 . 1 1 82 82 ASN N N 82 123.240 123.240 122.026 1.214 19906 1137 1 3 . 1 1 82 82 ASN HA H 82 4.640 4.640 4.568 0.072 19906 1138 1 3 . 1 1 82 82 ASN CA C 82 53.450 53.450 54.315 -0.864 19906 1139 1 3 . 1 1 82 82 ASN CB C 82 38.940 38.940 38.907 0.033 19906 1140 1 3 . 1 1 82 82 ASN H H 82 8.820 8.820 8.619 0.201 19906 1141 1 3 . 1 1 83 83 GLY N N 83 112.680 112.680 106.942 5.738 19906 1142 1 3 . 1 1 83 83 GLY CA C 83 45.420 45.420 45.184 0.236 19906 1143 1 3 . 1 1 83 83 GLY H H 83 8.630 8.630 8.787 -0.157 19906 1144 1 3 . 1 1 84 84 GLY N N 84 108.560 108.560 107.610 0.950 19906 1145 1 3 . 1 1 84 84 GLY CA C 84 45.190 45.190 44.169 1.021 19906 1146 1 3 . 1 1 84 84 GLY H H 84 8.280 8.280 7.903 0.377 19906 1147 1 3 . 1 1 85 85 GLU N N 85 120.690 120.690 121.617 -0.927 19906 1148 1 3 . 1 1 85 85 GLU HA H 85 4.320 4.320 4.223 0.097 19906 1149 1 3 . 1 1 85 85 GLU CA C 85 56.480 56.480 56.798 -0.318 19906 1150 1 3 . 1 1 85 85 GLU CB C 85 30.480 30.480 28.918 1.562 19906 1151 1 3 . 1 1 85 85 GLU H H 85 8.460 8.460 8.642 -0.182 19906 1152 1 3 . 1 1 86 86 SER N N 86 116.860 116.860 118.385 -1.525 19906 1153 1 3 . 1 1 86 86 SER HA H 86 4.430 4.430 4.515 -0.085 19906 1154 1 3 . 1 1 86 86 SER CA C 86 57.920 57.920 58.765 -0.845 19906 1155 1 3 . 1 1 86 86 SER CB C 86 63.720 63.720 63.946 -0.226 19906 1156 1 3 . 1 1 86 86 SER H H 86 8.350 8.350 8.038 0.312 19906 1157 1 3 . 1 1 87 87 ALA N N 87 126.890 126.890 124.079 2.811 19906 1158 1 3 . 1 1 87 87 ALA HA H 87 4.580 4.580 4.249 0.331 19906 1159 1 3 . 1 1 87 87 ALA CA C 87 50.450 50.450 51.658 -1.208 19906 1160 1 3 . 1 1 87 87 ALA CB C 87 18.110 18.110 17.768 0.342 19906 1161 1 3 . 1 1 87 87 ALA H H 87 8.240 8.240 8.302 -0.062 19906 1162 1 3 . 1 1 88 88 PRO HA H 88 4.470 4.470 4.462 0.008 19906 1163 1 3 . 1 1 88 88 PRO CA C 88 62.960 62.960 62.387 0.573 19906 1164 1 3 . 1 1 88 88 PRO CB C 88 31.460 31.460 32.540 -1.080 19906 1165 1 3 . 1 1 89 89 THR N N 89 114.280 114.280 115.707 -1.427 19906 1166 1 3 . 1 1 89 89 THR HA H 89 4.340 4.340 4.333 0.007 19906 1167 1 3 . 1 1 89 89 THR CA C 89 62.320 62.320 63.130 -0.810 19906 1168 1 3 . 1 1 89 89 THR CB C 89 69.530 69.530 69.097 0.433 19906 1169 1 3 . 1 1 89 89 THR H H 89 8.270 8.270 8.270 -0.000 19906 1170 1 3 . 1 1 90 90 THR N N 90 116.290 116.290 118.262 -1.972 19906 1171 1 3 . 1 1 90 90 THR HA H 90 4.330 4.330 4.506 -0.176 19906 1172 1 3 . 1 1 90 90 THR CA C 90 61.890 61.890 60.909 0.981 19906 1173 1 3 . 1 1 90 90 THR CB C 90 69.500 69.500 70.078 -0.578 19906 1174 1 3 . 1 1 90 90 THR H H 90 8.090 8.090 8.117 -0.027 19906 1175 1 3 . 1 1 91 91 LEU N N 91 124.660 124.660 122.825 1.835 19906 1176 1 3 . 1 1 91 91 LEU HA H 91 4.410 4.410 4.555 -0.145 19906 1177 1 3 . 1 1 91 91 LEU CA C 91 55.590 55.590 54.620 0.970 19906 1178 1 3 . 1 1 91 91 LEU CB C 91 41.600 41.600 41.995 -0.395 19906 1179 1 3 . 1 1 91 91 LEU H H 91 8.290 8.290 8.301 -0.011 19906 1180 1 3 . 1 1 92 92 THR N N 92 115.030 115.030 118.703 -3.673 19906 1181 1 3 . 1 1 92 92 THR HA H 92 4.300 4.300 4.477 -0.177 19906 1182 1 3 . 1 1 92 92 THR CA C 92 61.890 61.890 61.529 0.361 19906 1183 1 3 . 1 1 92 92 THR CB C 92 69.500 69.500 70.099 -0.599 19906 1184 1 3 . 1 1 92 92 THR H H 92 8.100 8.100 8.353 -0.253 19906 1185 1 3 . 1 1 93 93 GLN N N 93 123.200 123.200 123.859 -0.659 19906 1186 1 3 . 1 1 93 93 GLN HA H 93 4.350 4.350 4.300 0.050 19906 1187 1 3 . 1 1 93 93 GLN CA C 93 55.720 55.720 56.282 -0.562 19906 1188 1 3 . 1 1 93 93 GLN CB C 93 29.050 29.050 29.167 -0.117 19906 1189 1 3 . 1 1 93 93 GLN H H 93 8.380 8.380 8.570 -0.190 19906 1190 1 3 . 1 1 94 94 GLN N N 94 122.720 122.720 121.256 1.464 19906 1191 1 3 . 1 1 94 94 GLN HA H 94 4.400 4.400 4.122 0.278 19906 1192 1 3 . 1 1 94 94 GLN CA C 94 55.780 55.780 56.203 -0.423 19906 1193 1 3 . 1 1 94 94 GLN CB C 94 29.100 29.100 28.398 0.702 19906 1194 1 3 . 1 1 94 94 GLN H H 94 8.480 8.480 8.601 -0.121 19906 1195 1 4 . 1 1 4 4 SER HA H 4 4.400 4.400 4.611 -0.211 19906 1196 1 4 . 1 1 4 4 SER CA C 4 58.290 58.290 57.703 0.587 19906 1197 1 4 . 1 1 4 4 SER CB C 4 63.790 63.790 65.758 -1.968 19906 1198 1 4 . 1 1 5 5 GLU N N 5 121.960 121.960 121.002 0.958 19906 1199 1 4 . 1 1 5 5 GLU HA H 5 4.410 4.410 4.511 -0.101 19906 1200 1 4 . 1 1 5 5 GLU CA C 5 55.610 55.610 56.449 -0.839 19906 1201 1 4 . 1 1 5 5 GLU CB C 5 31.950 31.950 30.375 1.575 19906 1202 1 4 . 1 1 5 5 GLU H H 5 8.450 8.450 8.458 -0.008 19906 1203 1 4 . 1 1 6 6 VAL N N 6 122.170 122.170 123.727 -1.557 19906 1204 1 4 . 1 1 6 6 VAL HA H 6 4.070 4.070 4.368 -0.298 19906 1205 1 4 . 1 1 6 6 VAL CA C 6 56.380 56.380 60.509 -4.129 19906 1206 1 4 . 1 1 6 6 VAL CB C 6 29.500 29.500 32.906 -3.405 19906 1207 1 4 . 1 1 6 6 VAL H H 6 8.260 8.260 8.300 -0.040 19906 1208 1 4 . 1 1 9 9 LEU N N 9 123.830 123.830 119.450 4.380 19906 1209 1 4 . 1 1 9 9 LEU HA H 9 4.490 4.490 4.731 -0.241 19906 1210 1 4 . 1 1 9 9 LEU CA C 9 54.820 54.820 54.051 0.769 19906 1211 1 4 . 1 1 9 9 LEU CB C 9 41.930 41.930 40.735 1.195 19906 1212 1 4 . 1 1 9 9 LEU H H 9 7.770 7.770 7.755 0.015 19906 1213 1 4 . 1 1 11 11 ASP HA H 11 4.730 4.730 4.718 0.012 19906 1214 1 4 . 1 1 11 11 ASP CA C 11 53.060 53.060 53.227 -0.168 19906 1215 1 4 . 1 1 11 11 ASP CB C 11 38.110 38.110 42.295 -4.185 19906 1216 1 4 . 1 1 12 12 LEU N N 12 122.730 122.730 123.487 -0.757 19906 1217 1 4 . 1 1 12 12 LEU HA H 12 4.660 4.660 4.301 0.359 19906 1218 1 4 . 1 1 12 12 LEU CA C 12 55.130 55.130 56.018 -0.888 19906 1219 1 4 . 1 1 12 12 LEU CB C 12 43.390 43.390 42.659 0.731 19906 1220 1 4 . 1 1 12 12 LEU H H 12 7.420 7.420 8.449 -1.029 19906 1221 1 4 . 1 1 13 13 SER N N 13 120.760 120.760 120.247 0.513 19906 1222 1 4 . 1 1 13 13 SER HA H 13 4.270 4.270 4.680 -0.410 19906 1223 1 4 . 1 1 13 13 SER CA C 13 56.880 56.880 57.106 -0.226 19906 1224 1 4 . 1 1 13 13 SER CB C 13 65.890 65.890 65.684 0.206 19906 1225 1 4 . 1 1 13 13 SER H H 13 9.020 9.020 8.136 0.884 19906 1226 1 4 . 1 1 14 14 PHE N N 14 119.920 119.920 120.345 -0.425 19906 1227 1 4 . 1 1 14 14 PHE HA H 14 5.510 5.510 4.884 0.626 19906 1228 1 4 . 1 1 14 14 PHE CA C 14 56.760 56.760 56.740 0.020 19906 1229 1 4 . 1 1 14 14 PHE CB C 14 39.930 39.930 41.708 -1.778 19906 1230 1 4 . 1 1 14 14 PHE H H 14 8.370 8.370 8.666 -0.296 19906 1231 1 4 . 1 1 15 15 VAL N N 15 117.820 117.820 117.332 0.488 19906 1232 1 4 . 1 1 15 15 VAL HA H 15 4.680 4.680 4.579 0.101 19906 1233 1 4 . 1 1 15 15 VAL CA C 15 58.880 58.880 60.354 -1.474 19906 1234 1 4 . 1 1 15 15 VAL CB C 15 36.900 36.900 35.594 1.306 19906 1235 1 4 . 1 1 15 15 VAL H H 15 9.100 9.100 8.473 0.627 19906 1236 1 4 . 1 1 16 16 ASP N N 16 116.850 116.850 118.528 -1.678 19906 1237 1 4 . 1 1 16 16 ASP HA H 16 4.190 4.190 4.285 -0.095 19906 1238 1 4 . 1 1 16 16 ASP CA C 16 54.550 54.550 55.612 -1.062 19906 1239 1 4 . 1 1 16 16 ASP CB C 16 38.920 38.920 39.635 -0.715 19906 1240 1 4 . 1 1 16 16 ASP H H 16 8.520 8.520 8.827 -0.307 19906 1241 1 4 . 1 1 17 17 ILE N N 17 118.600 118.600 119.103 -0.503 19906 1242 1 4 . 1 1 17 17 ILE HA H 17 4.150 4.150 3.920 0.230 19906 1243 1 4 . 1 1 17 17 ILE CA C 17 63.190 63.190 63.287 -0.097 19906 1244 1 4 . 1 1 17 17 ILE CB C 17 37.770 37.770 38.473 -0.703 19906 1245 1 4 . 1 1 17 17 ILE H H 17 8.150 8.150 7.997 0.153 19906 1246 1 4 . 1 1 18 18 THR N N 18 122.160 122.160 121.136 1.024 19906 1247 1 4 . 1 1 18 18 THR HA H 18 4.910 4.910 4.586 0.324 19906 1248 1 4 . 1 1 18 18 THR CA C 18 60.570 60.570 60.931 -0.361 19906 1249 1 4 . 1 1 18 18 THR CB C 18 70.600 70.600 70.439 0.161 19906 1250 1 4 . 1 1 18 18 THR H H 18 8.740 8.740 8.120 0.620 19906 1251 1 4 . 1 1 19 19 ASP N N 19 115.600 115.600 121.310 -5.710 19906 1252 1 4 . 1 1 19 19 ASP HA H 19 4.480 4.480 4.611 -0.131 19906 1253 1 4 . 1 1 19 19 ASP CA C 19 54.880 54.880 55.733 -0.854 19906 1254 1 4 . 1 1 19 19 ASP CB C 19 40.430 40.430 40.731 -0.301 19906 1255 1 4 . 1 1 19 19 ASP H H 19 8.450 8.450 8.622 -0.172 19906 1256 1 4 . 1 1 20 20 SER N N 20 108.500 108.500 113.946 -5.446 19906 1257 1 4 . 1 1 20 20 SER HA H 20 4.620 4.620 4.886 -0.266 19906 1258 1 4 . 1 1 20 20 SER CA C 20 57.660 57.660 58.063 -0.403 19906 1259 1 4 . 1 1 20 20 SER CB C 20 66.090 66.090 64.209 1.881 19906 1260 1 4 . 1 1 20 20 SER H H 20 8.120 8.120 8.129 -0.009 19906 1261 1 4 . 1 1 21 21 SER N N 21 116.590 116.590 113.616 2.974 19906 1262 1 4 . 1 1 21 21 SER HA H 21 5.230 5.230 5.379 -0.149 19906 1263 1 4 . 1 1 21 21 SER CA C 21 56.730 56.730 57.130 -0.400 19906 1264 1 4 . 1 1 21 21 SER CB C 21 66.730 66.730 66.761 -0.031 19906 1265 1 4 . 1 1 21 21 SER H H 21 7.530 7.530 7.496 0.034 19906 1266 1 4 . 1 1 22 22 ILE N N 22 113.850 113.850 114.057 -0.207 19906 1267 1 4 . 1 1 22 22 ILE HA H 22 4.490 4.490 4.915 -0.425 19906 1268 1 4 . 1 1 22 22 ILE CA C 22 60.320 60.320 59.492 0.828 19906 1269 1 4 . 1 1 22 22 ILE CB C 22 42.650 42.650 42.250 0.400 19906 1270 1 4 . 1 1 22 22 ILE H H 22 8.210 8.210 7.958 0.252 19906 1271 1 4 . 1 1 23 23 GLY N N 23 112.950 112.950 111.731 1.219 19906 1272 1 4 . 1 1 23 23 GLY CA C 23 44.110 44.110 44.117 -0.007 19906 1273 1 4 . 1 1 23 23 GLY H H 23 8.300 8.300 8.457 -0.157 19906 1274 1 4 . 1 1 24 24 LEU N N 24 123.740 123.740 126.005 -2.265 19906 1275 1 4 . 1 1 24 24 LEU HA H 24 4.820 4.820 4.279 0.541 19906 1276 1 4 . 1 1 24 24 LEU CA C 24 53.930 53.930 55.361 -1.431 19906 1277 1 4 . 1 1 24 24 LEU CB C 24 42.470 42.470 42.036 0.434 19906 1278 1 4 . 1 1 24 24 LEU H H 24 8.820 8.820 7.749 1.071 19906 1279 1 4 . 1 1 25 25 ARG N N 25 119.980 119.980 124.489 -4.509 19906 1280 1 4 . 1 1 25 25 ARG HA H 25 4.890 4.890 4.815 0.075 19906 1281 1 4 . 1 1 25 25 ARG CA C 25 54.040 54.040 54.913 -0.873 19906 1282 1 4 . 1 1 25 25 ARG CB C 25 33.850 33.850 34.600 -0.750 19906 1283 1 4 . 1 1 25 25 ARG H H 25 8.570 8.570 7.921 0.649 19906 1284 1 4 . 1 1 26 26 TRP N N 26 122.480 122.480 124.175 -1.695 19906 1285 1 4 . 1 1 26 26 TRP HA H 26 4.840 4.840 5.036 -0.196 19906 1286 1 4 . 1 1 26 26 TRP CA C 26 56.790 56.790 56.457 0.333 19906 1287 1 4 . 1 1 26 26 TRP CB C 26 31.460 31.460 31.020 0.440 19906 1288 1 4 . 1 1 26 26 TRP H H 26 7.960 7.960 7.623 0.337 19906 1289 1 4 . 1 1 27 27 THR N N 27 119.820 119.820 117.379 2.441 19906 1290 1 4 . 1 1 27 27 THR HA H 27 4.750 4.750 4.639 0.111 19906 1291 1 4 . 1 1 27 27 THR CA C 27 60.690 60.690 59.745 0.945 19906 1292 1 4 . 1 1 27 27 THR CB C 27 68.460 68.460 68.924 -0.464 19906 1293 1 4 . 1 1 27 27 THR H H 27 9.780 9.780 8.285 1.495 19906 1294 1 4 . 1 1 28 28 PRO HA H 28 4.470 4.470 4.498 -0.028 19906 1295 1 4 . 1 1 28 28 PRO CA C 28 63.260 63.260 63.306 -0.046 19906 1296 1 4 . 1 1 28 28 PRO CB C 28 31.980 31.980 32.275 -0.295 19906 1297 1 4 . 1 1 29 29 LEU N N 29 124.220 124.220 122.604 1.616 19906 1298 1 4 . 1 1 29 29 LEU HA H 29 4.490 4.490 4.409 0.081 19906 1299 1 4 . 1 1 29 29 LEU CA C 29 54.150 54.150 54.892 -0.742 19906 1300 1 4 . 1 1 29 29 LEU CB C 29 43.040 43.040 42.154 0.886 19906 1301 1 4 . 1 1 29 29 LEU H H 29 8.570 8.570 8.338 0.232 19906 1302 1 4 . 1 1 30 30 ASN N N 30 119.950 119.950 120.588 -0.638 19906 1303 1 4 . 1 1 30 30 ASN HA H 30 4.700 4.700 4.461 0.239 19906 1304 1 4 . 1 1 30 30 ASN CA C 30 53.570 53.570 55.387 -1.817 19906 1305 1 4 . 1 1 30 30 ASN CB C 30 38.340 38.340 38.268 0.072 19906 1306 1 4 . 1 1 30 30 ASN H H 30 8.630 8.630 8.884 -0.254 19906 1307 1 4 . 1 1 31 31 SER N N 31 114.290 114.290 114.301 -0.011 19906 1308 1 4 . 1 1 31 31 SER HA H 31 4.560 4.560 4.463 0.097 19906 1309 1 4 . 1 1 31 31 SER CA C 31 57.500 57.500 59.818 -2.317 19906 1310 1 4 . 1 1 31 31 SER CB C 31 63.480 63.480 63.596 -0.116 19906 1311 1 4 . 1 1 31 31 SER H H 31 8.090 8.090 8.425 -0.335 19906 1312 1 4 . 1 1 32 32 SER HA H 32 4.560 4.560 4.471 0.089 19906 1313 1 4 . 1 1 32 32 SER CA C 32 58.140 58.140 58.831 -0.691 19906 1314 1 4 . 1 1 32 32 SER CB C 32 63.730 63.730 64.163 -0.433 19906 1315 1 4 . 1 1 33 33 THR N N 33 114.160 114.160 118.315 -4.155 19906 1316 1 4 . 1 1 33 33 THR HA H 33 4.300 4.300 4.228 0.072 19906 1317 1 4 . 1 1 33 33 THR CA C 33 63.620 63.620 63.108 0.512 19906 1318 1 4 . 1 1 33 33 THR CB C 33 69.530 69.530 69.487 0.043 19906 1319 1 4 . 1 1 33 33 THR H H 33 8.000 8.000 8.179 -0.179 19906 1320 1 4 . 1 1 34 34 ILE N N 34 121.090 121.090 124.396 -3.306 19906 1321 1 4 . 1 1 34 34 ILE HA H 34 4.300 4.300 4.280 0.020 19906 1322 1 4 . 1 1 34 34 ILE CA C 34 61.920 61.920 59.459 2.461 19906 1323 1 4 . 1 1 34 34 ILE CB C 34 38.080 38.080 35.745 2.335 19906 1324 1 4 . 1 1 34 34 ILE H H 34 7.980 7.980 8.270 -0.290 19906 1325 1 4 . 1 1 35 35 ILE N N 35 126.230 126.230 121.633 4.597 19906 1326 1 4 . 1 1 35 35 ILE HA H 35 4.220 4.220 4.356 -0.136 19906 1327 1 4 . 1 1 35 35 ILE CA C 35 61.720 61.720 59.391 2.329 19906 1328 1 4 . 1 1 35 35 ILE CB C 35 38.790 38.790 41.469 -2.679 19906 1329 1 4 . 1 1 35 35 ILE H H 35 8.810 8.810 7.349 1.461 19906 1330 1 4 . 1 1 36 36 GLY CA C 36 45.520 45.520 45.933 -0.413 19906 1331 1 4 . 1 1 37 37 TYR N N 37 120.400 120.400 125.275 -4.875 19906 1332 1 4 . 1 1 37 37 TYR HA H 37 5.070 5.070 4.497 0.573 19906 1333 1 4 . 1 1 37 37 TYR CA C 37 57.930 57.930 58.083 -0.153 19906 1334 1 4 . 1 1 37 37 TYR CB C 37 38.950 38.950 40.643 -1.693 19906 1335 1 4 . 1 1 37 37 TYR H H 37 7.340 7.340 7.876 -0.536 19906 1336 1 4 . 1 1 38 38 ARG HA H 38 5.150 5.150 4.742 0.408 19906 1337 1 4 . 1 1 38 38 ARG CA C 38 54.450 54.450 54.536 -0.086 19906 1338 1 4 . 1 1 38 38 ARG CB C 38 31.530 31.530 33.217 -1.687 19906 1339 1 4 . 1 1 39 39 ILE N N 39 129.570 129.570 124.024 5.546 19906 1340 1 4 . 1 1 39 39 ILE HA H 39 5.060 5.060 4.544 0.516 19906 1341 1 4 . 1 1 39 39 ILE CA C 39 60.030 60.030 59.743 0.287 19906 1342 1 4 . 1 1 39 39 ILE CB C 39 40.780 40.780 38.702 2.078 19906 1343 1 4 . 1 1 39 39 ILE H H 39 9.040 9.040 8.112 0.928 19906 1344 1 4 . 1 1 40 40 THR N N 40 120.430 120.430 122.666 -2.236 19906 1345 1 4 . 1 1 40 40 THR HA H 40 5.210 5.210 4.576 0.634 19906 1346 1 4 . 1 1 40 40 THR CA C 40 61.130 61.130 62.143 -1.013 19906 1347 1 4 . 1 1 40 40 THR CB C 40 71.090 71.090 70.404 0.686 19906 1348 1 4 . 1 1 40 40 THR H H 40 8.880 8.880 7.984 0.896 19906 1349 1 4 . 1 1 41 41 VAL HA H 41 5.030 5.030 4.566 0.465 19906 1350 1 4 . 1 1 41 41 VAL CA C 41 61.280 61.280 60.062 1.218 19906 1351 1 4 . 1 1 41 41 VAL CB C 41 33.800 33.800 34.304 -0.504 19906 1352 1 4 . 1 1 41 41 VAL H H 41 8.820 8.820 8.455 0.365 19906 1353 1 4 . 1 1 42 42 VAL N N 42 127.670 127.670 127.780 -0.110 19906 1354 1 4 . 1 1 42 42 VAL HA H 42 4.650 4.650 4.253 0.397 19906 1355 1 4 . 1 1 42 42 VAL CA C 42 60.320 60.320 60.544 -0.224 19906 1356 1 4 . 1 1 42 42 VAL CB C 42 35.800 35.800 36.120 -0.320 19906 1357 1 4 . 1 1 42 42 VAL H H 42 9.100 9.100 9.231 -0.131 19906 1358 1 4 . 1 1 43 43 ALA N N 43 131.340 131.340 127.900 3.440 19906 1359 1 4 . 1 1 43 43 ALA HA H 43 4.410 4.410 3.473 0.937 19906 1360 1 4 . 1 1 43 43 ALA CA C 43 52.420 52.420 50.657 1.763 19906 1361 1 4 . 1 1 43 43 ALA CB C 43 18.750 18.750 19.452 -0.702 19906 1362 1 4 . 1 1 43 43 ALA H H 43 9.420 9.420 8.268 1.152 19906 1363 1 4 . 1 1 44 44 ALA N N 44 126.040 126.040 126.090 -0.050 19906 1364 1 4 . 1 1 44 44 ALA HA H 44 4.120 4.120 4.263 -0.143 19906 1365 1 4 . 1 1 44 44 ALA CA C 44 53.790 53.790 53.850 -0.060 19906 1366 1 4 . 1 1 44 44 ALA CB C 44 18.680 18.680 19.837 -1.157 19906 1367 1 4 . 1 1 44 44 ALA H H 44 8.260 8.260 8.103 0.157 19906 1368 1 4 . 1 1 45 45 GLY CA C 45 45.620 45.620 45.627 -0.007 19906 1369 1 4 . 1 1 45 45 GLY H H 45 8.700 8.700 8.086 0.614 19906 1370 1 4 . 1 1 46 46 GLU N N 46 119.650 119.650 119.667 -0.017 19906 1371 1 4 . 1 1 46 46 GLU HA H 46 4.470 4.470 4.470 0.000 19906 1372 1 4 . 1 1 46 46 GLU CA C 46 55.870 55.870 55.704 0.166 19906 1373 1 4 . 1 1 46 46 GLU CB C 46 30.520 30.520 29.937 0.583 19906 1374 1 4 . 1 1 46 46 GLU H H 46 8.110 8.110 7.656 0.454 19906 1375 1 4 . 1 1 47 47 GLY N N 47 107.160 107.160 110.758 -3.598 19906 1376 1 4 . 1 1 47 47 GLY CA C 47 45.910 45.910 45.933 -0.023 19906 1377 1 4 . 1 1 47 47 GLY H H 47 8.400 8.400 8.705 -0.305 19906 1378 1 4 . 1 1 48 48 ILE N N 48 120.010 120.010 122.201 -2.191 19906 1379 1 4 . 1 1 48 48 ILE HA H 48 4.620 4.620 4.393 0.227 19906 1380 1 4 . 1 1 48 48 ILE CA C 48 58.500 58.500 57.608 0.892 19906 1381 1 4 . 1 1 48 48 ILE CB C 48 39.400 39.400 40.722 -1.322 19906 1382 1 4 . 1 1 48 48 ILE H H 48 7.440 7.440 7.456 -0.016 19906 1383 1 4 . 1 1 49 49 PRO HA H 49 4.530 4.530 4.470 0.060 19906 1384 1 4 . 1 1 49 49 PRO CA C 49 63.590 63.590 61.822 1.768 19906 1385 1 4 . 1 1 49 49 PRO CB C 49 31.880 31.880 32.308 -0.428 19906 1386 1 4 . 1 1 50 50 ILE N N 50 122.120 122.120 120.041 2.079 19906 1387 1 4 . 1 1 50 50 ILE HA H 50 4.150 4.150 4.136 0.014 19906 1388 1 4 . 1 1 50 50 ILE CA C 50 63.310 63.310 60.293 3.017 19906 1389 1 4 . 1 1 50 50 ILE CB C 50 38.020 38.020 38.969 -0.950 19906 1390 1 4 . 1 1 50 50 ILE H H 50 8.720 8.720 7.705 1.015 19906 1391 1 4 . 1 1 51 51 PHE HA H 51 4.770 4.770 4.310 0.460 19906 1392 1 4 . 1 1 51 51 PHE CA C 51 57.900 57.900 59.147 -1.247 19906 1393 1 4 . 1 1 51 51 PHE CB C 51 41.870 41.870 39.508 2.362 19906 1394 1 4 . 1 1 52 52 GLU HA H 52 5.350 5.350 4.286 1.064 19906 1395 1 4 . 1 1 52 52 GLU CA C 52 55.140 55.140 56.087 -0.947 19906 1396 1 4 . 1 1 52 52 GLU CB C 52 32.030 32.030 31.063 0.967 19906 1397 1 4 . 1 1 53 53 ASP N N 53 122.750 122.750 119.307 3.443 19906 1398 1 4 . 1 1 53 53 ASP HA H 53 5.000 5.000 4.879 0.121 19906 1399 1 4 . 1 1 53 53 ASP CA C 53 52.950 52.950 53.485 -0.535 19906 1400 1 4 . 1 1 53 53 ASP CB C 53 44.770 44.770 44.561 0.209 19906 1401 1 4 . 1 1 53 53 ASP H H 53 8.850 8.850 7.839 1.011 19906 1402 1 4 . 1 1 54 54 PHE N N 54 121.100 121.100 121.573 -0.473 19906 1403 1 4 . 1 1 54 54 PHE HA H 54 5.380 5.380 5.122 0.258 19906 1404 1 4 . 1 1 54 54 PHE CA C 54 56.180 56.180 57.198 -1.018 19906 1405 1 4 . 1 1 54 54 PHE CB C 54 42.110 42.110 40.260 1.850 19906 1406 1 4 . 1 1 54 54 PHE H H 54 8.770 8.770 8.640 0.130 19906 1407 1 4 . 1 1 55 55 VAL N N 55 125.760 125.760 126.136 -0.376 19906 1408 1 4 . 1 1 55 55 VAL HA H 55 4.320 4.320 4.436 -0.116 19906 1409 1 4 . 1 1 55 55 VAL CA C 55 59.140 59.140 59.431 -0.291 19906 1410 1 4 . 1 1 55 55 VAL CB C 55 34.940 34.940 35.739 -0.799 19906 1411 1 4 . 1 1 55 55 VAL H H 55 8.290 8.290 8.147 0.143 19906 1412 1 4 . 1 1 56 56 ASP N N 56 127.100 127.100 128.974 -1.874 19906 1413 1 4 . 1 1 56 56 ASP HA H 56 4.560 4.560 4.603 -0.043 19906 1414 1 4 . 1 1 56 56 ASP CA C 56 54.980 54.980 54.954 0.026 19906 1415 1 4 . 1 1 56 56 ASP CB C 56 42.730 42.730 41.536 1.194 19906 1416 1 4 . 1 1 56 56 ASP H H 56 8.460 8.460 8.721 -0.261 19906 1417 1 4 . 1 1 57 57 SER N N 57 119.630 119.630 119.268 0.362 19906 1418 1 4 . 1 1 57 57 SER HA H 57 4.330 4.330 4.622 -0.292 19906 1419 1 4 . 1 1 57 57 SER CA C 57 60.630 60.630 61.801 -1.171 19906 1420 1 4 . 1 1 57 57 SER CB C 57 62.680 62.680 63.371 -0.691 19906 1421 1 4 . 1 1 57 57 SER H H 57 8.260 8.260 8.855 -0.595 19906 1422 1 4 . 1 1 58 58 SER N N 58 117.030 117.030 115.462 1.568 19906 1423 1 4 . 1 1 58 58 SER HA H 58 4.400 4.400 4.318 0.082 19906 1424 1 4 . 1 1 58 58 SER CA C 58 60.430 60.430 60.844 -0.414 19906 1425 1 4 . 1 1 58 58 SER CB C 58 63.700 63.700 62.970 0.730 19906 1426 1 4 . 1 1 58 58 SER H H 58 9.080 9.080 8.345 0.735 19906 1427 1 4 . 1 1 59 59 VAL N N 59 119.350 119.350 119.354 -0.004 19906 1428 1 4 . 1 1 59 59 VAL HA H 59 3.790 3.790 3.924 -0.134 19906 1429 1 4 . 1 1 59 59 VAL CA C 59 65.670 65.670 64.172 1.498 19906 1430 1 4 . 1 1 59 59 VAL CB C 59 32.400 32.400 31.768 0.632 19906 1431 1 4 . 1 1 59 59 VAL H H 59 7.570 7.570 7.634 -0.064 19906 1432 1 4 . 1 1 60 60 GLY N N 60 104.070 104.070 105.116 -1.046 19906 1433 1 4 . 1 1 60 60 GLY CA C 60 44.430 44.430 45.318 -0.888 19906 1434 1 4 . 1 1 60 60 GLY H H 60 6.120 6.120 7.600 -1.480 19906 1435 1 4 . 1 1 61 61 TYR N N 61 117.690 117.690 117.352 0.338 19906 1436 1 4 . 1 1 61 61 TYR HA H 61 5.030 5.030 5.108 -0.078 19906 1437 1 4 . 1 1 61 61 TYR CA C 61 56.320 56.320 56.627 -0.307 19906 1438 1 4 . 1 1 61 61 TYR CB C 61 41.700 41.700 41.215 0.485 19906 1439 1 4 . 1 1 61 61 TYR H H 61 6.080 6.080 7.269 -1.189 19906 1440 1 4 . 1 1 62 62 TYR N N 62 126.650 126.650 124.339 2.311 19906 1441 1 4 . 1 1 62 62 TYR HA H 62 4.440 4.440 4.417 0.023 19906 1442 1 4 . 1 1 62 62 TYR CA C 62 58.560 58.560 57.327 1.233 19906 1443 1 4 . 1 1 62 62 TYR CB C 62 43.550 43.550 42.669 0.881 19906 1444 1 4 . 1 1 62 62 TYR H H 62 8.440 8.440 7.754 0.686 19906 1445 1 4 . 1 1 63 63 THR N N 63 122.160 122.160 117.719 4.441 19906 1446 1 4 . 1 1 63 63 THR HA H 63 4.780 4.780 4.808 -0.028 19906 1447 1 4 . 1 1 63 63 THR CA C 63 61.610 61.610 60.805 0.805 19906 1448 1 4 . 1 1 63 63 THR CB C 63 69.810 69.810 71.043 -1.233 19906 1449 1 4 . 1 1 63 63 THR H H 63 7.380 7.380 6.929 0.451 19906 1450 1 4 . 1 1 64 64 VAL N N 64 127.940 127.940 123.268 4.672 19906 1451 1 4 . 1 1 64 64 VAL HA H 64 3.660 3.660 4.590 -0.930 19906 1452 1 4 . 1 1 64 64 VAL CA C 64 61.840 61.840 60.555 1.285 19906 1453 1 4 . 1 1 64 64 VAL CB C 64 31.840 31.840 32.493 -0.653 19906 1454 1 4 . 1 1 64 64 VAL H H 64 8.860 8.860 8.167 0.693 19906 1455 1 4 . 1 1 65 65 THR N N 65 116.150 116.150 117.041 -0.891 19906 1456 1 4 . 1 1 65 65 THR HA H 65 4.640 4.640 5.244 -0.604 19906 1457 1 4 . 1 1 65 65 THR CA C 65 59.470 59.470 59.623 -0.153 19906 1458 1 4 . 1 1 65 65 THR CB C 65 71.160 71.160 71.248 -0.087 19906 1459 1 4 . 1 1 65 65 THR H H 65 7.290 7.290 8.200 -0.910 19906 1460 1 4 . 1 1 66 66 GLY N N 66 105.560 105.560 109.420 -3.860 19906 1461 1 4 . 1 1 66 66 GLY CA C 66 45.860 45.860 44.916 0.944 19906 1462 1 4 . 1 1 66 66 GLY H H 66 8.450 8.450 8.506 -0.056 19906 1463 1 4 . 1 1 67 67 LEU N N 67 119.080 119.080 122.949 -3.869 19906 1464 1 4 . 1 1 67 67 LEU HA H 67 4.180 4.180 4.153 0.027 19906 1465 1 4 . 1 1 67 67 LEU CA C 67 53.380 53.380 54.023 -0.643 19906 1466 1 4 . 1 1 67 67 LEU CB C 67 41.630 41.630 41.092 0.538 19906 1467 1 4 . 1 1 67 67 LEU H H 67 7.850 7.850 7.400 0.450 19906 1468 1 4 . 1 1 68 68 GLU N N 68 120.030 120.030 123.573 -3.543 19906 1469 1 4 . 1 1 68 68 GLU HA H 68 4.920 4.920 4.111 0.809 19906 1470 1 4 . 1 1 68 68 GLU CA C 68 52.510 52.510 55.665 -3.155 19906 1471 1 4 . 1 1 68 68 GLU CB C 68 31.040 31.040 28.972 2.068 19906 1472 1 4 . 1 1 68 68 GLU H H 68 8.500 8.500 8.196 0.304 19906 1473 1 4 . 1 1 69 69 PRO HA H 69 4.470 4.470 4.357 0.113 19906 1474 1 4 . 1 1 69 69 PRO CA C 69 62.740 62.740 62.806 -0.066 19906 1475 1 4 . 1 1 69 69 PRO CB C 69 31.410 31.410 32.284 -0.874 19906 1476 1 4 . 1 1 70 70 GLY N N 70 106.940 106.940 109.306 -2.366 19906 1477 1 4 . 1 1 70 70 GLY CA C 70 45.830 45.830 46.025 -0.195 19906 1478 1 4 . 1 1 70 70 GLY H H 70 8.500 8.500 8.629 -0.129 19906 1479 1 4 . 1 1 71 71 ILE N N 71 120.080 120.080 118.821 1.259 19906 1480 1 4 . 1 1 71 71 ILE HA H 71 4.080 4.080 4.246 -0.166 19906 1481 1 4 . 1 1 71 71 ILE CA C 71 58.710 58.710 59.792 -1.082 19906 1482 1 4 . 1 1 71 71 ILE CB C 71 40.410 40.410 40.990 -0.581 19906 1483 1 4 . 1 1 71 71 ILE H H 71 7.510 7.510 7.115 0.395 19906 1484 1 4 . 1 1 72 72 ASP N N 72 124.920 124.920 126.121 -1.201 19906 1485 1 4 . 1 1 72 72 ASP HA H 72 4.930 4.930 4.745 0.185 19906 1486 1 4 . 1 1 72 72 ASP CA C 72 54.260 54.260 53.183 1.077 19906 1487 1 4 . 1 1 72 72 ASP CB C 72 41.120 41.120 40.814 0.306 19906 1488 1 4 . 1 1 72 72 ASP H H 72 8.190 8.190 8.518 -0.328 19906 1489 1 4 . 1 1 73 73 TYR N N 73 122.440 122.440 124.830 -2.390 19906 1490 1 4 . 1 1 73 73 TYR HA H 73 5.070 5.070 4.857 0.213 19906 1491 1 4 . 1 1 73 73 TYR CA C 73 57.390 57.390 55.964 1.426 19906 1492 1 4 . 1 1 73 73 TYR CB C 73 40.550 40.550 40.492 0.058 19906 1493 1 4 . 1 1 73 73 TYR H H 73 9.310 9.310 8.272 1.038 19906 1494 1 4 . 1 1 74 74 ASP N N 74 122.980 122.980 125.999 -3.019 19906 1495 1 4 . 1 1 74 74 ASP HA H 74 5.220 5.220 4.927 0.293 19906 1496 1 4 . 1 1 74 74 ASP CA C 74 53.900 53.900 53.800 0.101 19906 1497 1 4 . 1 1 74 74 ASP CB C 74 42.120 42.120 41.455 0.665 19906 1498 1 4 . 1 1 74 74 ASP H H 74 9.290 9.290 8.912 0.378 19906 1499 1 4 . 1 1 75 75 ILE N N 75 124.270 124.270 120.017 4.253 19906 1500 1 4 . 1 1 75 75 ILE HA H 75 5.470 5.470 4.971 0.499 19906 1501 1 4 . 1 1 75 75 ILE CA C 75 58.400 58.400 58.208 0.192 19906 1502 1 4 . 1 1 75 75 ILE CB C 75 40.900 40.900 40.804 0.096 19906 1503 1 4 . 1 1 75 75 ILE H H 75 8.810 8.810 8.296 0.514 19906 1504 1 4 . 1 1 76 76 SER N N 76 121.300 121.300 115.829 5.471 19906 1505 1 4 . 1 1 76 76 SER HA H 76 5.800 5.800 4.696 1.104 19906 1506 1 4 . 1 1 76 76 SER CA C 76 56.340 56.340 58.380 -2.040 19906 1507 1 4 . 1 1 76 76 SER CB C 76 66.180 66.180 64.773 1.407 19906 1508 1 4 . 1 1 76 76 SER H H 76 8.760 8.760 8.368 0.392 19906 1509 1 4 . 1 1 77 77 VAL N N 77 124.740 124.740 124.658 0.082 19906 1510 1 4 . 1 1 77 77 VAL HA H 77 4.760 4.760 4.200 0.560 19906 1511 1 4 . 1 1 77 77 VAL CA C 77 61.190 61.190 61.931 -0.741 19906 1512 1 4 . 1 1 77 77 VAL CB C 77 33.270 33.270 32.330 0.940 19906 1513 1 4 . 1 1 77 77 VAL H H 77 9.420 9.420 8.346 1.074 19906 1514 1 4 . 1 1 78 78 ILE N N 78 126.300 126.300 129.028 -2.728 19906 1515 1 4 . 1 1 78 78 ILE HA H 78 4.710 4.710 4.249 0.461 19906 1516 1 4 . 1 1 78 78 ILE CA C 78 61.160 61.160 61.076 0.084 19906 1517 1 4 . 1 1 78 78 ILE CB C 78 41.050 41.050 38.811 2.239 19906 1518 1 4 . 1 1 78 78 ILE H H 78 9.370 9.370 8.438 0.932 19906 1519 1 4 . 1 1 79 79 THR N N 79 122.350 122.350 122.781 -0.431 19906 1520 1 4 . 1 1 79 79 THR HA H 79 4.280 4.280 4.475 -0.195 19906 1521 1 4 . 1 1 79 79 THR CA C 79 64.260 64.260 61.763 2.497 19906 1522 1 4 . 1 1 79 79 THR CB C 79 69.130 69.130 69.269 -0.139 19906 1523 1 4 . 1 1 79 79 THR H H 79 8.550 8.550 8.399 0.151 19906 1524 1 4 . 1 1 80 80 LEU N N 80 128.900 128.900 129.892 -0.992 19906 1525 1 4 . 1 1 80 80 LEU HA H 80 4.730 4.730 4.801 -0.071 19906 1526 1 4 . 1 1 80 80 LEU CA C 80 54.060 54.060 54.419 -0.359 19906 1527 1 4 . 1 1 80 80 LEU CB C 80 41.470 41.470 44.066 -2.596 19906 1528 1 4 . 1 1 80 80 LEU H H 80 8.660 8.660 8.742 -0.082 19906 1529 1 4 . 1 1 81 81 ILE N N 81 121.640 121.640 121.131 0.509 19906 1530 1 4 . 1 1 81 81 ILE HA H 81 4.870 4.870 4.485 0.385 19906 1531 1 4 . 1 1 81 81 ILE CA C 81 59.300 59.300 59.787 -0.487 19906 1532 1 4 . 1 1 81 81 ILE CB C 81 40.510 40.510 40.815 -0.305 19906 1533 1 4 . 1 1 81 81 ILE H H 81 8.350 8.350 8.083 0.267 19906 1534 1 4 . 1 1 82 82 ASN N N 82 123.240 123.240 121.338 1.902 19906 1535 1 4 . 1 1 82 82 ASN HA H 82 4.640 4.640 4.590 0.050 19906 1536 1 4 . 1 1 82 82 ASN CA C 82 53.450 53.450 54.824 -1.374 19906 1537 1 4 . 1 1 82 82 ASN CB C 82 38.940 38.940 39.001 -0.061 19906 1538 1 4 . 1 1 82 82 ASN H H 82 8.820 8.820 8.636 0.184 19906 1539 1 4 . 1 1 83 83 GLY N N 83 112.680 112.680 109.645 3.035 19906 1540 1 4 . 1 1 83 83 GLY CA C 83 45.420 45.420 46.216 -0.796 19906 1541 1 4 . 1 1 83 83 GLY H H 83 8.630 8.630 8.659 -0.029 19906 1542 1 4 . 1 1 84 84 GLY N N 84 108.560 108.560 109.452 -0.892 19906 1543 1 4 . 1 1 84 84 GLY CA C 84 45.190 45.190 44.288 0.902 19906 1544 1 4 . 1 1 84 84 GLY H H 84 8.280 8.280 8.302 -0.022 19906 1545 1 4 . 1 1 85 85 GLU N N 85 120.690 120.690 119.287 1.403 19906 1546 1 4 . 1 1 85 85 GLU HA H 85 4.320 4.320 4.186 0.134 19906 1547 1 4 . 1 1 85 85 GLU CA C 85 56.480 56.480 57.397 -0.917 19906 1548 1 4 . 1 1 85 85 GLU CB C 85 30.480 30.480 29.929 0.551 19906 1549 1 4 . 1 1 85 85 GLU H H 85 8.460 8.460 8.390 0.070 19906 1550 1 4 . 1 1 86 86 SER N N 86 116.860 116.860 120.347 -3.487 19906 1551 1 4 . 1 1 86 86 SER HA H 86 4.430 4.430 4.404 0.026 19906 1552 1 4 . 1 1 86 86 SER CA C 86 57.920 57.920 57.878 0.042 19906 1553 1 4 . 1 1 86 86 SER CB C 86 63.720 63.720 63.864 -0.144 19906 1554 1 4 . 1 1 86 86 SER H H 86 8.350 8.350 8.346 0.004 19906 1555 1 4 . 1 1 87 87 ALA N N 87 126.890 126.890 124.970 1.920 19906 1556 1 4 . 1 1 87 87 ALA HA H 87 4.580 4.580 4.202 0.378 19906 1557 1 4 . 1 1 87 87 ALA CA C 87 50.450 50.450 51.798 -1.348 19906 1558 1 4 . 1 1 87 87 ALA CB C 87 18.110 18.110 17.710 0.400 19906 1559 1 4 . 1 1 87 87 ALA H H 87 8.240 8.240 8.327 -0.087 19906 1560 1 4 . 1 1 88 88 PRO HA H 88 4.470 4.470 4.374 0.096 19906 1561 1 4 . 1 1 88 88 PRO CA C 88 62.960 62.960 63.163 -0.202 19906 1562 1 4 . 1 1 88 88 PRO CB C 88 31.460 31.460 31.948 -0.488 19906 1563 1 4 . 1 1 89 89 THR N N 89 114.280 114.280 117.028 -2.748 19906 1564 1 4 . 1 1 89 89 THR HA H 89 4.340 4.340 4.217 0.123 19906 1565 1 4 . 1 1 89 89 THR CA C 89 62.320 62.320 63.810 -1.490 19906 1566 1 4 . 1 1 89 89 THR CB C 89 69.530 69.530 69.209 0.321 19906 1567 1 4 . 1 1 89 89 THR H H 89 8.270 8.270 7.739 0.531 19906 1568 1 4 . 1 1 90 90 THR N N 90 116.290 116.290 120.551 -4.261 19906 1569 1 4 . 1 1 90 90 THR HA H 90 4.330 4.330 4.495 -0.165 19906 1570 1 4 . 1 1 90 90 THR CA C 90 61.890 61.890 61.440 0.450 19906 1571 1 4 . 1 1 90 90 THR CB C 90 69.500 69.500 70.553 -1.054 19906 1572 1 4 . 1 1 90 90 THR H H 90 8.090 8.090 8.068 0.022 19906 1573 1 4 . 1 1 91 91 LEU N N 91 124.660 124.660 127.103 -2.443 19906 1574 1 4 . 1 1 91 91 LEU HA H 91 4.410 4.410 4.445 -0.035 19906 1575 1 4 . 1 1 91 91 LEU CA C 91 55.590 55.590 54.761 0.829 19906 1576 1 4 . 1 1 91 91 LEU CB C 91 41.600 41.600 42.603 -1.003 19906 1577 1 4 . 1 1 91 91 LEU H H 91 8.290 8.290 8.384 -0.094 19906 1578 1 4 . 1 1 92 92 THR N N 92 115.030 115.030 114.198 0.832 19906 1579 1 4 . 1 1 92 92 THR HA H 92 4.300 4.300 4.254 0.046 19906 1580 1 4 . 1 1 92 92 THR CA C 92 61.890 61.890 61.928 -0.038 19906 1581 1 4 . 1 1 92 92 THR CB C 92 69.500 69.500 69.343 0.157 19906 1582 1 4 . 1 1 92 92 THR H H 92 8.100 8.100 8.229 -0.129 19906 1583 1 4 . 1 1 93 93 GLN N N 93 123.200 123.200 124.769 -1.569 19906 1584 1 4 . 1 1 93 93 GLN HA H 93 4.350 4.350 4.181 0.169 19906 1585 1 4 . 1 1 93 93 GLN CA C 93 55.720 55.720 56.544 -0.824 19906 1586 1 4 . 1 1 93 93 GLN CB C 93 29.050 29.050 28.290 0.760 19906 1587 1 4 . 1 1 93 93 GLN H H 93 8.380 8.380 8.627 -0.247 19906 1588 1 4 . 1 1 94 94 GLN N N 94 122.720 122.720 125.164 -2.444 19906 1589 1 4 . 1 1 94 94 GLN HA H 94 4.400 4.400 4.114 0.286 19906 1590 1 4 . 1 1 94 94 GLN CA C 94 55.780 55.780 57.656 -1.876 19906 1591 1 4 . 1 1 94 94 GLN CB C 94 29.100 29.100 29.281 -0.181 19906 1592 1 4 . 1 1 94 94 GLN H H 94 8.480 8.480 8.832 -0.352 19906 1593 1 5 . 1 1 4 4 SER HA H 4 4.400 4.400 4.574 -0.174 19906 1594 1 5 . 1 1 4 4 SER CA C 4 58.290 58.290 57.835 0.455 19906 1595 1 5 . 1 1 4 4 SER CB C 4 63.790 63.790 64.502 -0.712 19906 1596 1 5 . 1 1 5 5 GLU N N 5 121.960 121.960 121.780 0.180 19906 1597 1 5 . 1 1 5 5 GLU HA H 5 4.410 4.410 4.346 0.064 19906 1598 1 5 . 1 1 5 5 GLU CA C 5 55.610 55.610 56.510 -0.900 19906 1599 1 5 . 1 1 5 5 GLU CB C 5 31.950 31.950 30.260 1.690 19906 1600 1 5 . 1 1 5 5 GLU H H 5 8.450 8.450 8.456 -0.006 19906 1601 1 5 . 1 1 6 6 VAL N N 6 122.170 122.170 124.574 -2.404 19906 1602 1 5 . 1 1 6 6 VAL HA H 6 4.070 4.070 4.376 -0.306 19906 1603 1 5 . 1 1 6 6 VAL CA C 6 56.380 56.380 59.809 -3.429 19906 1604 1 5 . 1 1 6 6 VAL CB C 6 29.500 29.500 31.609 -2.109 19906 1605 1 5 . 1 1 6 6 VAL H H 6 8.260 8.260 8.205 0.055 19906 1606 1 5 . 1 1 9 9 LEU N N 9 123.830 123.830 124.337 -0.507 19906 1607 1 5 . 1 1 9 9 LEU HA H 9 4.490 4.490 4.572 -0.082 19906 1608 1 5 . 1 1 9 9 LEU CA C 9 54.820 54.820 55.133 -0.313 19906 1609 1 5 . 1 1 9 9 LEU CB C 9 41.930 41.930 41.680 0.250 19906 1610 1 5 . 1 1 9 9 LEU H H 9 7.770 7.770 7.763 0.007 19906 1611 1 5 . 1 1 11 11 ASP HA H 11 4.730 4.730 4.896 -0.166 19906 1612 1 5 . 1 1 11 11 ASP CA C 11 53.060 53.060 53.334 -0.274 19906 1613 1 5 . 1 1 11 11 ASP CB C 11 38.110 38.110 42.822 -4.712 19906 1614 1 5 . 1 1 12 12 LEU N N 12 122.730 122.730 122.395 0.335 19906 1615 1 5 . 1 1 12 12 LEU HA H 12 4.660 4.660 4.333 0.327 19906 1616 1 5 . 1 1 12 12 LEU CA C 12 55.130 55.130 55.915 -0.785 19906 1617 1 5 . 1 1 12 12 LEU CB C 12 43.390 43.390 42.867 0.523 19906 1618 1 5 . 1 1 12 12 LEU H H 12 7.420 7.420 8.444 -1.024 19906 1619 1 5 . 1 1 13 13 SER N N 13 120.760 120.760 119.945 0.815 19906 1620 1 5 . 1 1 13 13 SER HA H 13 4.270 4.270 4.876 -0.606 19906 1621 1 5 . 1 1 13 13 SER CA C 13 56.880 56.880 57.183 -0.303 19906 1622 1 5 . 1 1 13 13 SER CB C 13 65.890 65.890 66.175 -0.285 19906 1623 1 5 . 1 1 13 13 SER H H 13 9.020 9.020 8.205 0.815 19906 1624 1 5 . 1 1 14 14 PHE N N 14 119.920 119.920 119.025 0.895 19906 1625 1 5 . 1 1 14 14 PHE HA H 14 5.510 5.510 4.872 0.638 19906 1626 1 5 . 1 1 14 14 PHE CA C 14 56.760 56.760 57.055 -0.295 19906 1627 1 5 . 1 1 14 14 PHE CB C 14 39.930 39.930 41.591 -1.661 19906 1628 1 5 . 1 1 14 14 PHE H H 14 8.370 8.370 8.602 -0.232 19906 1629 1 5 . 1 1 15 15 VAL N N 15 117.820 117.820 116.064 1.756 19906 1630 1 5 . 1 1 15 15 VAL HA H 15 4.680 4.680 4.559 0.120 19906 1631 1 5 . 1 1 15 15 VAL CA C 15 58.880 58.880 60.479 -1.599 19906 1632 1 5 . 1 1 15 15 VAL CB C 15 36.900 36.900 35.608 1.292 19906 1633 1 5 . 1 1 15 15 VAL H H 15 9.100 9.100 8.510 0.590 19906 1634 1 5 . 1 1 16 16 ASP N N 16 116.850 116.850 119.349 -2.499 19906 1635 1 5 . 1 1 16 16 ASP HA H 16 4.190 4.190 4.302 -0.112 19906 1636 1 5 . 1 1 16 16 ASP CA C 16 54.550 54.550 55.390 -0.840 19906 1637 1 5 . 1 1 16 16 ASP CB C 16 38.920 38.920 39.303 -0.383 19906 1638 1 5 . 1 1 16 16 ASP H H 16 8.520 8.520 8.667 -0.147 19906 1639 1 5 . 1 1 17 17 ILE N N 17 118.600 118.600 119.743 -1.143 19906 1640 1 5 . 1 1 17 17 ILE HA H 17 4.150 4.150 4.103 0.047 19906 1641 1 5 . 1 1 17 17 ILE CA C 17 63.190 63.190 62.001 1.189 19906 1642 1 5 . 1 1 17 17 ILE CB C 17 37.770 37.770 39.316 -1.546 19906 1643 1 5 . 1 1 17 17 ILE H H 17 8.150 8.150 7.943 0.207 19906 1644 1 5 . 1 1 18 18 THR N N 18 122.160 122.160 121.110 1.050 19906 1645 1 5 . 1 1 18 18 THR HA H 18 4.910 4.910 4.626 0.284 19906 1646 1 5 . 1 1 18 18 THR CA C 18 60.570 60.570 61.430 -0.860 19906 1647 1 5 . 1 1 18 18 THR CB C 18 70.600 70.600 70.178 0.422 19906 1648 1 5 . 1 1 18 18 THR H H 18 8.740 8.740 7.939 0.801 19906 1649 1 5 . 1 1 19 19 ASP N N 19 115.600 115.600 120.487 -4.887 19906 1650 1 5 . 1 1 19 19 ASP HA H 19 4.480 4.480 4.693 -0.213 19906 1651 1 5 . 1 1 19 19 ASP CA C 19 54.880 54.880 55.765 -0.885 19906 1652 1 5 . 1 1 19 19 ASP CB C 19 40.430 40.430 40.681 -0.251 19906 1653 1 5 . 1 1 19 19 ASP H H 19 8.450 8.450 8.370 0.080 19906 1654 1 5 . 1 1 20 20 SER N N 20 108.500 108.500 114.321 -5.821 19906 1655 1 5 . 1 1 20 20 SER HA H 20 4.620 4.620 4.754 -0.134 19906 1656 1 5 . 1 1 20 20 SER CA C 20 57.660 57.660 58.341 -0.681 19906 1657 1 5 . 1 1 20 20 SER CB C 20 66.090 66.090 64.578 1.512 19906 1658 1 5 . 1 1 20 20 SER H H 20 8.120 8.120 8.009 0.111 19906 1659 1 5 . 1 1 21 21 SER N N 21 116.590 116.590 114.726 1.864 19906 1660 1 5 . 1 1 21 21 SER HA H 21 5.230 5.230 5.187 0.043 19906 1661 1 5 . 1 1 21 21 SER CA C 21 56.730 56.730 57.560 -0.830 19906 1662 1 5 . 1 1 21 21 SER CB C 21 66.730 66.730 66.717 0.013 19906 1663 1 5 . 1 1 21 21 SER H H 21 7.530 7.530 7.700 -0.170 19906 1664 1 5 . 1 1 22 22 ILE N N 22 113.850 113.850 117.377 -3.527 19906 1665 1 5 . 1 1 22 22 ILE HA H 22 4.490 4.490 4.979 -0.489 19906 1666 1 5 . 1 1 22 22 ILE CA C 22 60.320 60.320 58.932 1.388 19906 1667 1 5 . 1 1 22 22 ILE CB C 22 42.650 42.650 42.344 0.306 19906 1668 1 5 . 1 1 22 22 ILE H H 22 8.210 8.210 7.912 0.298 19906 1669 1 5 . 1 1 23 23 GLY N N 23 112.950 112.950 111.842 1.108 19906 1670 1 5 . 1 1 23 23 GLY CA C 23 44.110 44.110 43.949 0.161 19906 1671 1 5 . 1 1 23 23 GLY H H 23 8.300 8.300 8.340 -0.040 19906 1672 1 5 . 1 1 24 24 LEU N N 24 123.740 123.740 125.820 -2.080 19906 1673 1 5 . 1 1 24 24 LEU HA H 24 4.820 4.820 4.104 0.716 19906 1674 1 5 . 1 1 24 24 LEU CA C 24 53.930 53.930 55.630 -1.700 19906 1675 1 5 . 1 1 24 24 LEU CB C 24 42.470 42.470 42.322 0.148 19906 1676 1 5 . 1 1 24 24 LEU H H 24 8.820 8.820 7.826 0.994 19906 1677 1 5 . 1 1 25 25 ARG N N 25 119.980 119.980 124.784 -4.804 19906 1678 1 5 . 1 1 25 25 ARG HA H 25 4.890 4.890 5.125 -0.235 19906 1679 1 5 . 1 1 25 25 ARG CA C 25 54.040 54.040 55.076 -1.036 19906 1680 1 5 . 1 1 25 25 ARG CB C 25 33.850 33.850 34.361 -0.512 19906 1681 1 5 . 1 1 25 25 ARG H H 25 8.570 8.570 7.865 0.705 19906 1682 1 5 . 1 1 26 26 TRP N N 26 122.480 122.480 125.120 -2.640 19906 1683 1 5 . 1 1 26 26 TRP HA H 26 4.840 4.840 5.055 -0.215 19906 1684 1 5 . 1 1 26 26 TRP CA C 26 56.790 56.790 56.115 0.675 19906 1685 1 5 . 1 1 26 26 TRP CB C 26 31.460 31.460 31.611 -0.151 19906 1686 1 5 . 1 1 26 26 TRP H H 26 7.960 7.960 8.040 -0.080 19906 1687 1 5 . 1 1 27 27 THR N N 27 119.820 119.820 118.409 1.411 19906 1688 1 5 . 1 1 27 27 THR HA H 27 4.750 4.750 4.415 0.335 19906 1689 1 5 . 1 1 27 27 THR CA C 27 60.690 60.690 59.117 1.573 19906 1690 1 5 . 1 1 27 27 THR CB C 27 68.460 68.460 69.294 -0.834 19906 1691 1 5 . 1 1 27 27 THR H H 27 9.780 9.780 8.182 1.598 19906 1692 1 5 . 1 1 28 28 PRO HA H 28 4.470 4.470 4.486 -0.016 19906 1693 1 5 . 1 1 28 28 PRO CA C 28 63.260 63.260 63.297 -0.038 19906 1694 1 5 . 1 1 28 28 PRO CB C 28 31.980 31.980 32.022 -0.042 19906 1695 1 5 . 1 1 29 29 LEU N N 29 124.220 124.220 121.738 2.482 19906 1696 1 5 . 1 1 29 29 LEU HA H 29 4.490 4.490 4.386 0.104 19906 1697 1 5 . 1 1 29 29 LEU CA C 29 54.150 54.150 54.656 -0.506 19906 1698 1 5 . 1 1 29 29 LEU CB C 29 43.040 43.040 42.447 0.593 19906 1699 1 5 . 1 1 29 29 LEU H H 29 8.570 8.570 8.211 0.359 19906 1700 1 5 . 1 1 30 30 ASN N N 30 119.950 119.950 120.982 -1.032 19906 1701 1 5 . 1 1 30 30 ASN HA H 30 4.700 4.700 4.415 0.285 19906 1702 1 5 . 1 1 30 30 ASN CA C 30 53.570 53.570 55.503 -1.933 19906 1703 1 5 . 1 1 30 30 ASN CB C 30 38.340 38.340 38.260 0.080 19906 1704 1 5 . 1 1 30 30 ASN H H 30 8.630 8.630 8.906 -0.276 19906 1705 1 5 . 1 1 31 31 SER N N 31 114.290 114.290 113.998 0.292 19906 1706 1 5 . 1 1 31 31 SER HA H 31 4.560 4.560 4.449 0.111 19906 1707 1 5 . 1 1 31 31 SER CA C 31 57.500 57.500 59.744 -2.244 19906 1708 1 5 . 1 1 31 31 SER CB C 31 63.480 63.480 63.532 -0.052 19906 1709 1 5 . 1 1 31 31 SER H H 31 8.090 8.090 8.450 -0.360 19906 1710 1 5 . 1 1 32 32 SER HA H 32 4.560 4.560 4.408 0.152 19906 1711 1 5 . 1 1 32 32 SER CA C 32 58.140 58.140 58.947 -0.807 19906 1712 1 5 . 1 1 32 32 SER CB C 32 63.730 63.730 63.904 -0.173 19906 1713 1 5 . 1 1 33 33 THR N N 33 114.160 114.160 118.366 -4.206 19906 1714 1 5 . 1 1 33 33 THR HA H 33 4.300 4.300 4.263 0.037 19906 1715 1 5 . 1 1 33 33 THR CA C 33 63.620 63.620 62.790 0.830 19906 1716 1 5 . 1 1 33 33 THR CB C 33 69.530 69.530 69.437 0.093 19906 1717 1 5 . 1 1 33 33 THR H H 33 8.000 8.000 8.218 -0.218 19906 1718 1 5 . 1 1 34 34 ILE N N 34 121.090 121.090 126.120 -5.030 19906 1719 1 5 . 1 1 34 34 ILE HA H 34 4.300 4.300 4.370 -0.070 19906 1720 1 5 . 1 1 34 34 ILE CA C 34 61.920 61.920 60.064 1.856 19906 1721 1 5 . 1 1 34 34 ILE CB C 34 38.080 38.080 36.088 1.992 19906 1722 1 5 . 1 1 34 34 ILE H H 34 7.980 7.980 8.400 -0.420 19906 1723 1 5 . 1 1 35 35 ILE N N 35 126.230 126.230 121.780 4.450 19906 1724 1 5 . 1 1 35 35 ILE HA H 35 4.220 4.220 4.536 -0.316 19906 1725 1 5 . 1 1 35 35 ILE CA C 35 61.720 61.720 59.470 2.250 19906 1726 1 5 . 1 1 35 35 ILE CB C 35 38.790 38.790 41.074 -2.284 19906 1727 1 5 . 1 1 35 35 ILE H H 35 8.810 8.810 7.608 1.202 19906 1728 1 5 . 1 1 36 36 GLY CA C 36 45.520 45.520 45.564 -0.044 19906 1729 1 5 . 1 1 37 37 TYR N N 37 120.400 120.400 123.859 -3.459 19906 1730 1 5 . 1 1 37 37 TYR HA H 37 5.070 5.070 4.689 0.381 19906 1731 1 5 . 1 1 37 37 TYR CA C 37 57.930 57.930 54.610 3.320 19906 1732 1 5 . 1 1 37 37 TYR CB C 37 38.950 38.950 39.832 -0.882 19906 1733 1 5 . 1 1 37 37 TYR H H 37 7.340 7.340 7.986 -0.646 19906 1734 1 5 . 1 1 38 38 ARG HA H 38 5.150 5.150 4.024 1.126 19906 1735 1 5 . 1 1 38 38 ARG CA C 38 54.450 54.450 55.053 -0.603 19906 1736 1 5 . 1 1 38 38 ARG CB C 38 31.530 31.530 30.674 0.856 19906 1737 1 5 . 1 1 39 39 ILE N N 39 129.570 129.570 124.258 5.312 19906 1738 1 5 . 1 1 39 39 ILE HA H 39 5.060 5.060 4.335 0.725 19906 1739 1 5 . 1 1 39 39 ILE CA C 39 60.030 60.030 60.041 -0.011 19906 1740 1 5 . 1 1 39 39 ILE CB C 39 40.780 40.780 38.514 2.266 19906 1741 1 5 . 1 1 39 39 ILE H H 39 9.040 9.040 7.663 1.377 19906 1742 1 5 . 1 1 40 40 THR N N 40 120.430 120.430 122.220 -1.790 19906 1743 1 5 . 1 1 40 40 THR HA H 40 5.210 5.210 4.595 0.615 19906 1744 1 5 . 1 1 40 40 THR CA C 40 61.130 61.130 61.541 -0.411 19906 1745 1 5 . 1 1 40 40 THR CB C 40 71.090 71.090 70.306 0.784 19906 1746 1 5 . 1 1 40 40 THR H H 40 8.880 8.880 8.020 0.860 19906 1747 1 5 . 1 1 41 41 VAL HA H 41 5.030 5.030 4.554 0.476 19906 1748 1 5 . 1 1 41 41 VAL CA C 41 61.280 61.280 60.177 1.103 19906 1749 1 5 . 1 1 41 41 VAL CB C 41 33.800 33.800 34.760 -0.960 19906 1750 1 5 . 1 1 41 41 VAL H H 41 8.820 8.820 8.512 0.308 19906 1751 1 5 . 1 1 42 42 VAL N N 42 127.670 127.670 127.135 0.535 19906 1752 1 5 . 1 1 42 42 VAL HA H 42 4.650 4.650 4.345 0.305 19906 1753 1 5 . 1 1 42 42 VAL CA C 42 60.320 60.320 60.304 0.016 19906 1754 1 5 . 1 1 42 42 VAL CB C 42 35.800 35.800 36.335 -0.535 19906 1755 1 5 . 1 1 42 42 VAL H H 42 9.100 9.100 9.206 -0.106 19906 1756 1 5 . 1 1 43 43 ALA N N 43 131.340 131.340 128.283 3.057 19906 1757 1 5 . 1 1 43 43 ALA HA H 43 4.410 4.410 3.805 0.605 19906 1758 1 5 . 1 1 43 43 ALA CA C 43 52.420 52.420 50.785 1.635 19906 1759 1 5 . 1 1 43 43 ALA CB C 43 18.750 18.750 19.830 -1.080 19906 1760 1 5 . 1 1 43 43 ALA H H 43 9.420 9.420 8.433 0.987 19906 1761 1 5 . 1 1 44 44 ALA N N 44 126.040 126.040 125.402 0.638 19906 1762 1 5 . 1 1 44 44 ALA HA H 44 4.120 4.120 4.216 -0.096 19906 1763 1 5 . 1 1 44 44 ALA CA C 44 53.790 53.790 53.598 0.192 19906 1764 1 5 . 1 1 44 44 ALA CB C 44 18.680 18.680 19.753 -1.073 19906 1765 1 5 . 1 1 44 44 ALA H H 44 8.260 8.260 7.833 0.427 19906 1766 1 5 . 1 1 45 45 GLY CA C 45 45.620 45.620 45.473 0.147 19906 1767 1 5 . 1 1 45 45 GLY H H 45 8.700 8.700 8.009 0.691 19906 1768 1 5 . 1 1 46 46 GLU N N 46 119.650 119.650 119.742 -0.092 19906 1769 1 5 . 1 1 46 46 GLU HA H 46 4.470 4.470 4.392 0.078 19906 1770 1 5 . 1 1 46 46 GLU CA C 46 55.870 55.870 55.200 0.670 19906 1771 1 5 . 1 1 46 46 GLU CB C 46 30.520 30.520 29.925 0.595 19906 1772 1 5 . 1 1 46 46 GLU H H 46 8.110 8.110 7.505 0.605 19906 1773 1 5 . 1 1 47 47 GLY N N 47 107.160 107.160 111.442 -4.282 19906 1774 1 5 . 1 1 47 47 GLY CA C 47 45.910 45.910 45.928 -0.018 19906 1775 1 5 . 1 1 47 47 GLY H H 47 8.400 8.400 8.684 -0.284 19906 1776 1 5 . 1 1 48 48 ILE N N 48 120.010 120.010 121.206 -1.196 19906 1777 1 5 . 1 1 48 48 ILE HA H 48 4.620 4.620 4.301 0.319 19906 1778 1 5 . 1 1 48 48 ILE CA C 48 58.500 58.500 58.107 0.393 19906 1779 1 5 . 1 1 48 48 ILE CB C 48 39.400 39.400 40.137 -0.737 19906 1780 1 5 . 1 1 48 48 ILE H H 48 7.440 7.440 7.326 0.114 19906 1781 1 5 . 1 1 49 49 PRO HA H 49 4.530 4.530 4.566 -0.036 19906 1782 1 5 . 1 1 49 49 PRO CA C 49 63.590 63.590 61.879 1.711 19906 1783 1 5 . 1 1 49 49 PRO CB C 49 31.880 31.880 32.343 -0.463 19906 1784 1 5 . 1 1 50 50 ILE N N 50 122.120 122.120 120.250 1.870 19906 1785 1 5 . 1 1 50 50 ILE HA H 50 4.150 4.150 3.965 0.185 19906 1786 1 5 . 1 1 50 50 ILE CA C 50 63.310 63.310 61.117 2.193 19906 1787 1 5 . 1 1 50 50 ILE CB C 50 38.020 38.020 38.609 -0.589 19906 1788 1 5 . 1 1 50 50 ILE H H 50 8.720 8.720 7.941 0.779 19906 1789 1 5 . 1 1 51 51 PHE HA H 51 4.770 4.770 4.298 0.472 19906 1790 1 5 . 1 1 51 51 PHE CA C 51 57.900 57.900 57.947 -0.047 19906 1791 1 5 . 1 1 51 51 PHE CB C 51 41.870 41.870 39.464 2.406 19906 1792 1 5 . 1 1 52 52 GLU HA H 52 5.350 5.350 4.165 1.185 19906 1793 1 5 . 1 1 52 52 GLU CA C 52 55.140 55.140 55.572 -0.431 19906 1794 1 5 . 1 1 52 52 GLU CB C 52 32.030 32.030 30.364 1.666 19906 1795 1 5 . 1 1 53 53 ASP N N 53 122.750 122.750 122.022 0.728 19906 1796 1 5 . 1 1 53 53 ASP HA H 53 5.000 5.000 4.859 0.141 19906 1797 1 5 . 1 1 53 53 ASP CA C 53 52.950 52.950 53.265 -0.315 19906 1798 1 5 . 1 1 53 53 ASP CB C 53 44.770 44.770 44.229 0.541 19906 1799 1 5 . 1 1 53 53 ASP H H 53 8.850 8.850 7.857 0.993 19906 1800 1 5 . 1 1 54 54 PHE N N 54 121.100 121.100 119.915 1.185 19906 1801 1 5 . 1 1 54 54 PHE HA H 54 5.380 5.380 4.430 0.950 19906 1802 1 5 . 1 1 54 54 PHE CA C 54 56.180 56.180 57.234 -1.054 19906 1803 1 5 . 1 1 54 54 PHE CB C 54 42.110 42.110 39.921 2.189 19906 1804 1 5 . 1 1 54 54 PHE H H 54 8.770 8.770 8.559 0.211 19906 1805 1 5 . 1 1 55 55 VAL N N 55 125.760 125.760 125.166 0.594 19906 1806 1 5 . 1 1 55 55 VAL HA H 55 4.320 4.320 4.251 0.069 19906 1807 1 5 . 1 1 55 55 VAL CA C 55 59.140 59.140 59.650 -0.510 19906 1808 1 5 . 1 1 55 55 VAL CB C 55 34.940 34.940 35.867 -0.927 19906 1809 1 5 . 1 1 55 55 VAL H H 55 8.290 8.290 7.926 0.364 19906 1810 1 5 . 1 1 56 56 ASP N N 56 127.100 127.100 128.246 -1.146 19906 1811 1 5 . 1 1 56 56 ASP HA H 56 4.560 4.560 4.685 -0.125 19906 1812 1 5 . 1 1 56 56 ASP CA C 56 54.980 54.980 54.332 0.648 19906 1813 1 5 . 1 1 56 56 ASP CB C 56 42.730 42.730 41.520 1.210 19906 1814 1 5 . 1 1 56 56 ASP H H 56 8.460 8.460 8.562 -0.102 19906 1815 1 5 . 1 1 57 57 SER N N 57 119.630 119.630 119.041 0.589 19906 1816 1 5 . 1 1 57 57 SER HA H 57 4.330 4.330 4.581 -0.251 19906 1817 1 5 . 1 1 57 57 SER CA C 57 60.630 60.630 62.037 -1.407 19906 1818 1 5 . 1 1 57 57 SER CB C 57 62.680 62.680 63.363 -0.683 19906 1819 1 5 . 1 1 57 57 SER H H 57 8.260 8.260 8.951 -0.691 19906 1820 1 5 . 1 1 58 58 SER N N 58 117.030 117.030 116.762 0.268 19906 1821 1 5 . 1 1 58 58 SER HA H 58 4.400 4.400 4.217 0.183 19906 1822 1 5 . 1 1 58 58 SER CA C 58 60.430 60.430 61.240 -0.810 19906 1823 1 5 . 1 1 58 58 SER CB C 58 63.700 63.700 62.877 0.823 19906 1824 1 5 . 1 1 58 58 SER H H 58 9.080 9.080 8.285 0.795 19906 1825 1 5 . 1 1 59 59 VAL N N 59 119.350 119.350 120.057 -0.707 19906 1826 1 5 . 1 1 59 59 VAL HA H 59 3.790 3.790 3.623 0.167 19906 1827 1 5 . 1 1 59 59 VAL CA C 59 65.670 65.670 64.451 1.219 19906 1828 1 5 . 1 1 59 59 VAL CB C 59 32.400 32.400 31.733 0.667 19906 1829 1 5 . 1 1 59 59 VAL H H 59 7.570 7.570 7.631 -0.061 19906 1830 1 5 . 1 1 60 60 GLY N N 60 104.070 104.070 106.011 -1.941 19906 1831 1 5 . 1 1 60 60 GLY CA C 60 44.430 44.430 45.054 -0.625 19906 1832 1 5 . 1 1 60 60 GLY H H 60 6.120 6.120 7.676 -1.556 19906 1833 1 5 . 1 1 61 61 TYR N N 61 117.690 117.690 113.201 4.489 19906 1834 1 5 . 1 1 61 61 TYR HA H 61 5.030 5.030 5.742 -0.712 19906 1835 1 5 . 1 1 61 61 TYR CA C 61 56.320 56.320 55.649 0.671 19906 1836 1 5 . 1 1 61 61 TYR CB C 61 41.700 41.700 40.101 1.599 19906 1837 1 5 . 1 1 61 61 TYR H H 61 6.080 6.080 7.175 -1.095 19906 1838 1 5 . 1 1 62 62 TYR N N 62 126.650 126.650 120.747 5.903 19906 1839 1 5 . 1 1 62 62 TYR HA H 62 4.440 4.440 4.936 -0.496 19906 1840 1 5 . 1 1 62 62 TYR CA C 62 58.560 58.560 57.695 0.865 19906 1841 1 5 . 1 1 62 62 TYR CB C 62 43.550 43.550 43.100 0.450 19906 1842 1 5 . 1 1 62 62 TYR H H 62 8.440 8.440 9.019 -0.579 19906 1843 1 5 . 1 1 63 63 THR N N 63 122.160 122.160 119.024 3.136 19906 1844 1 5 . 1 1 63 63 THR HA H 63 4.780 4.780 4.935 -0.155 19906 1845 1 5 . 1 1 63 63 THR CA C 63 61.610 61.610 60.737 0.873 19906 1846 1 5 . 1 1 63 63 THR CB C 63 69.810 69.810 70.479 -0.669 19906 1847 1 5 . 1 1 63 63 THR H H 63 7.380 7.380 7.281 0.099 19906 1848 1 5 . 1 1 64 64 VAL N N 64 127.940 127.940 124.646 3.294 19906 1849 1 5 . 1 1 64 64 VAL HA H 64 3.660 3.660 4.658 -0.998 19906 1850 1 5 . 1 1 64 64 VAL CA C 64 61.840 61.840 60.766 1.074 19906 1851 1 5 . 1 1 64 64 VAL CB C 64 31.840 31.840 32.038 -0.197 19906 1852 1 5 . 1 1 64 64 VAL H H 64 8.860 8.860 8.234 0.626 19906 1853 1 5 . 1 1 65 65 THR N N 65 116.150 116.150 115.773 0.377 19906 1854 1 5 . 1 1 65 65 THR HA H 65 4.640 4.640 5.161 -0.521 19906 1855 1 5 . 1 1 65 65 THR CA C 65 59.470 59.470 59.855 -0.385 19906 1856 1 5 . 1 1 65 65 THR CB C 65 71.160 71.160 71.497 -0.337 19906 1857 1 5 . 1 1 65 65 THR H H 65 7.290 7.290 8.154 -0.864 19906 1858 1 5 . 1 1 66 66 GLY N N 66 105.560 105.560 108.943 -3.383 19906 1859 1 5 . 1 1 66 66 GLY CA C 66 45.860 45.860 44.831 1.028 19906 1860 1 5 . 1 1 66 66 GLY H H 66 8.450 8.450 8.277 0.173 19906 1861 1 5 . 1 1 67 67 LEU N N 67 119.080 119.080 122.089 -3.009 19906 1862 1 5 . 1 1 67 67 LEU HA H 67 4.180 4.180 3.758 0.422 19906 1863 1 5 . 1 1 67 67 LEU CA C 67 53.380 53.380 53.360 0.020 19906 1864 1 5 . 1 1 67 67 LEU CB C 67 41.630 41.630 40.656 0.975 19906 1865 1 5 . 1 1 67 67 LEU H H 67 7.850 7.850 7.479 0.371 19906 1866 1 5 . 1 1 68 68 GLU N N 68 120.030 120.030 123.886 -3.856 19906 1867 1 5 . 1 1 68 68 GLU HA H 68 4.920 4.920 4.335 0.585 19906 1868 1 5 . 1 1 68 68 GLU CA C 68 52.510 52.510 54.581 -2.071 19906 1869 1 5 . 1 1 68 68 GLU CB C 68 31.040 31.040 29.042 1.998 19906 1870 1 5 . 1 1 68 68 GLU H H 68 8.500 8.500 7.906 0.594 19906 1871 1 5 . 1 1 69 69 PRO HA H 69 4.470 4.470 4.402 0.068 19906 1872 1 5 . 1 1 69 69 PRO CA C 69 62.740 62.740 63.145 -0.405 19906 1873 1 5 . 1 1 69 69 PRO CB C 69 31.410 31.410 32.192 -0.782 19906 1874 1 5 . 1 1 70 70 GLY N N 70 106.940 106.940 109.624 -2.684 19906 1875 1 5 . 1 1 70 70 GLY CA C 70 45.830 45.830 45.470 0.360 19906 1876 1 5 . 1 1 70 70 GLY H H 70 8.500 8.500 8.820 -0.320 19906 1877 1 5 . 1 1 71 71 ILE N N 71 120.080 120.080 120.830 -0.750 19906 1878 1 5 . 1 1 71 71 ILE HA H 71 4.080 4.080 4.254 -0.174 19906 1879 1 5 . 1 1 71 71 ILE CA C 71 58.710 58.710 60.015 -1.305 19906 1880 1 5 . 1 1 71 71 ILE CB C 71 40.410 40.410 40.301 0.109 19906 1881 1 5 . 1 1 71 71 ILE H H 71 7.510 7.510 7.519 -0.009 19906 1882 1 5 . 1 1 72 72 ASP N N 72 124.920 124.920 127.321 -2.401 19906 1883 1 5 . 1 1 72 72 ASP HA H 72 4.930 4.930 4.647 0.283 19906 1884 1 5 . 1 1 72 72 ASP CA C 72 54.260 54.260 53.742 0.517 19906 1885 1 5 . 1 1 72 72 ASP CB C 72 41.120 41.120 41.340 -0.220 19906 1886 1 5 . 1 1 72 72 ASP H H 72 8.190 8.190 8.545 -0.355 19906 1887 1 5 . 1 1 73 73 TYR N N 73 122.440 122.440 125.275 -2.835 19906 1888 1 5 . 1 1 73 73 TYR HA H 73 5.070 5.070 4.746 0.324 19906 1889 1 5 . 1 1 73 73 TYR CA C 73 57.390 57.390 57.803 -0.413 19906 1890 1 5 . 1 1 73 73 TYR CB C 73 40.550 40.550 40.556 -0.006 19906 1891 1 5 . 1 1 73 73 TYR H H 73 9.310 9.310 8.355 0.955 19906 1892 1 5 . 1 1 74 74 ASP N N 74 122.980 122.980 124.960 -1.980 19906 1893 1 5 . 1 1 74 74 ASP HA H 74 5.220 5.220 4.893 0.327 19906 1894 1 5 . 1 1 74 74 ASP CA C 74 53.900 53.900 54.119 -0.219 19906 1895 1 5 . 1 1 74 74 ASP CB C 74 42.120 42.120 41.543 0.577 19906 1896 1 5 . 1 1 74 74 ASP H H 74 9.290 9.290 8.860 0.430 19906 1897 1 5 . 1 1 75 75 ILE N N 75 124.270 124.270 120.253 4.017 19906 1898 1 5 . 1 1 75 75 ILE HA H 75 5.470 5.470 5.025 0.445 19906 1899 1 5 . 1 1 75 75 ILE CA C 75 58.400 58.400 58.002 0.398 19906 1900 1 5 . 1 1 75 75 ILE CB C 75 40.900 40.900 41.088 -0.188 19906 1901 1 5 . 1 1 75 75 ILE H H 75 8.810 8.810 8.326 0.484 19906 1902 1 5 . 1 1 76 76 SER N N 76 121.300 121.300 116.543 4.757 19906 1903 1 5 . 1 1 76 76 SER HA H 76 5.800 5.800 4.675 1.125 19906 1904 1 5 . 1 1 76 76 SER CA C 76 56.340 56.340 57.931 -1.591 19906 1905 1 5 . 1 1 76 76 SER CB C 76 66.180 66.180 64.720 1.460 19906 1906 1 5 . 1 1 76 76 SER H H 76 8.760 8.760 8.637 0.123 19906 1907 1 5 . 1 1 77 77 VAL N N 77 124.740 124.740 127.899 -3.159 19906 1908 1 5 . 1 1 77 77 VAL HA H 77 4.760 4.760 4.374 0.386 19906 1909 1 5 . 1 1 77 77 VAL CA C 77 61.190 61.190 61.258 -0.068 19906 1910 1 5 . 1 1 77 77 VAL CB C 77 33.270 33.270 31.084 2.186 19906 1911 1 5 . 1 1 77 77 VAL H H 77 9.420 9.420 8.510 0.910 19906 1912 1 5 . 1 1 78 78 ILE N N 78 126.300 126.300 129.021 -2.721 19906 1913 1 5 . 1 1 78 78 ILE HA H 78 4.710 4.710 4.172 0.538 19906 1914 1 5 . 1 1 78 78 ILE CA C 78 61.160 61.160 61.123 0.036 19906 1915 1 5 . 1 1 78 78 ILE CB C 78 41.050 41.050 38.456 2.595 19906 1916 1 5 . 1 1 78 78 ILE H H 78 9.370 9.370 8.265 1.105 19906 1917 1 5 . 1 1 79 79 THR N N 79 122.350 122.350 120.404 1.946 19906 1918 1 5 . 1 1 79 79 THR HA H 79 4.280 4.280 4.438 -0.158 19906 1919 1 5 . 1 1 79 79 THR CA C 79 64.260 64.260 61.022 3.238 19906 1920 1 5 . 1 1 79 79 THR CB C 79 69.130 69.130 69.236 -0.106 19906 1921 1 5 . 1 1 79 79 THR H H 79 8.550 8.550 8.421 0.129 19906 1922 1 5 . 1 1 80 80 LEU N N 80 128.900 128.900 129.270 -0.370 19906 1923 1 5 . 1 1 80 80 LEU HA H 80 4.730 4.730 4.721 0.009 19906 1924 1 5 . 1 1 80 80 LEU CA C 80 54.060 54.060 54.735 -0.675 19906 1925 1 5 . 1 1 80 80 LEU CB C 80 41.470 41.470 44.361 -2.892 19906 1926 1 5 . 1 1 80 80 LEU H H 80 8.660 8.660 8.467 0.193 19906 1927 1 5 . 1 1 81 81 ILE N N 81 121.640 121.640 121.169 0.471 19906 1928 1 5 . 1 1 81 81 ILE HA H 81 4.870 4.870 4.535 0.335 19906 1929 1 5 . 1 1 81 81 ILE CA C 81 59.300 59.300 60.006 -0.706 19906 1930 1 5 . 1 1 81 81 ILE CB C 81 40.510 40.510 41.587 -1.077 19906 1931 1 5 . 1 1 81 81 ILE H H 81 8.350 8.350 7.890 0.460 19906 1932 1 5 . 1 1 82 82 ASN N N 82 123.240 123.240 122.297 0.943 19906 1933 1 5 . 1 1 82 82 ASN HA H 82 4.640 4.640 4.521 0.119 19906 1934 1 5 . 1 1 82 82 ASN CA C 82 53.450 53.450 54.785 -1.335 19906 1935 1 5 . 1 1 82 82 ASN CB C 82 38.940 38.940 39.372 -0.432 19906 1936 1 5 . 1 1 82 82 ASN H H 82 8.820 8.820 8.762 0.058 19906 1937 1 5 . 1 1 83 83 GLY N N 83 112.680 112.680 107.240 5.440 19906 1938 1 5 . 1 1 83 83 GLY CA C 83 45.420 45.420 44.681 0.739 19906 1939 1 5 . 1 1 83 83 GLY H H 83 8.630 8.630 8.400 0.230 19906 1940 1 5 . 1 1 84 84 GLY N N 84 108.560 108.560 109.260 -0.700 19906 1941 1 5 . 1 1 84 84 GLY CA C 84 45.190 45.190 44.897 0.293 19906 1942 1 5 . 1 1 84 84 GLY H H 84 8.280 8.280 8.333 -0.053 19906 1943 1 5 . 1 1 85 85 GLU N N 85 120.690 120.690 123.695 -3.005 19906 1944 1 5 . 1 1 85 85 GLU HA H 85 4.320 4.320 4.498 -0.178 19906 1945 1 5 . 1 1 85 85 GLU CA C 85 56.480 56.480 55.965 0.515 19906 1946 1 5 . 1 1 85 85 GLU CB C 85 30.480 30.480 30.688 -0.208 19906 1947 1 5 . 1 1 85 85 GLU H H 85 8.460 8.460 8.455 0.005 19906 1948 1 5 . 1 1 86 86 SER N N 86 116.860 116.860 118.182 -1.322 19906 1949 1 5 . 1 1 86 86 SER HA H 86 4.430 4.430 4.557 -0.127 19906 1950 1 5 . 1 1 86 86 SER CA C 86 57.920 57.920 57.672 0.248 19906 1951 1 5 . 1 1 86 86 SER CB C 86 63.720 63.720 63.337 0.384 19906 1952 1 5 . 1 1 86 86 SER H H 86 8.350 8.350 8.557 -0.207 19906 1953 1 5 . 1 1 87 87 ALA N N 87 126.890 126.890 130.899 -4.009 19906 1954 1 5 . 1 1 87 87 ALA HA H 87 4.580 4.580 4.661 -0.081 19906 1955 1 5 . 1 1 87 87 ALA CA C 87 50.450 50.450 52.559 -2.109 19906 1956 1 5 . 1 1 87 87 ALA CB C 87 18.110 18.110 17.625 0.485 19906 1957 1 5 . 1 1 87 87 ALA H H 87 8.240 8.240 8.605 -0.365 19906 1958 1 5 . 1 1 88 88 PRO HA H 88 4.470 4.470 4.381 0.089 19906 1959 1 5 . 1 1 88 88 PRO CA C 88 62.960 62.960 63.522 -0.562 19906 1960 1 5 . 1 1 88 88 PRO CB C 88 31.460 31.460 31.606 -0.146 19906 1961 1 5 . 1 1 89 89 THR N N 89 114.280 114.280 114.632 -0.352 19906 1962 1 5 . 1 1 89 89 THR HA H 89 4.340 4.340 4.463 -0.123 19906 1963 1 5 . 1 1 89 89 THR CA C 89 62.320 62.320 60.750 1.570 19906 1964 1 5 . 1 1 89 89 THR CB C 89 69.530 69.530 69.526 0.004 19906 1965 1 5 . 1 1 89 89 THR H H 89 8.270 8.270 7.382 0.888 19906 1966 1 5 . 1 1 90 90 THR N N 90 116.290 116.290 120.290 -4.000 19906 1967 1 5 . 1 1 90 90 THR HA H 90 4.330 4.330 4.593 -0.263 19906 1968 1 5 . 1 1 90 90 THR CA C 90 61.890 61.890 61.391 0.499 19906 1969 1 5 . 1 1 90 90 THR CB C 90 69.500 69.500 69.624 -0.124 19906 1970 1 5 . 1 1 90 90 THR H H 90 8.090 8.090 8.373 -0.283 19906 1971 1 5 . 1 1 91 91 LEU N N 91 124.660 124.660 126.874 -2.214 19906 1972 1 5 . 1 1 91 91 LEU HA H 91 4.410 4.410 4.701 -0.291 19906 1973 1 5 . 1 1 91 91 LEU CA C 91 55.590 55.590 54.538 1.052 19906 1974 1 5 . 1 1 91 91 LEU CB C 91 41.600 41.600 42.566 -0.966 19906 1975 1 5 . 1 1 91 91 LEU H H 91 8.290 8.290 8.426 -0.136 19906 1976 1 5 . 1 1 92 92 THR N N 92 115.030 115.030 116.049 -1.019 19906 1977 1 5 . 1 1 92 92 THR HA H 92 4.300 4.300 4.412 -0.112 19906 1978 1 5 . 1 1 92 92 THR CA C 92 61.890 61.890 60.973 0.917 19906 1979 1 5 . 1 1 92 92 THR CB C 92 69.500 69.500 69.756 -0.256 19906 1980 1 5 . 1 1 92 92 THR H H 92 8.100 8.100 8.334 -0.234 19906 1981 1 5 . 1 1 93 93 GLN N N 93 123.200 123.200 121.563 1.637 19906 1982 1 5 . 1 1 93 93 GLN HA H 93 4.350 4.350 4.324 0.026 19906 1983 1 5 . 1 1 93 93 GLN CA C 93 55.720 55.720 56.223 -0.503 19906 1984 1 5 . 1 1 93 93 GLN CB C 93 29.050 29.050 28.665 0.386 19906 1985 1 5 . 1 1 93 93 GLN H H 93 8.380 8.380 8.422 -0.042 19906 1986 1 5 . 1 1 94 94 GLN N N 94 122.720 122.720 120.101 2.619 19906 1987 1 5 . 1 1 94 94 GLN HA H 94 4.400 4.400 4.191 0.209 19906 1988 1 5 . 1 1 94 94 GLN CA C 94 55.780 55.780 56.310 -0.530 19906 1989 1 5 . 1 1 94 94 GLN CB C 94 29.100 29.100 28.590 0.510 19906 1990 1 5 . 1 1 94 94 GLN H H 94 8.480 8.480 8.493 -0.013 19906 1991 1 6 . 1 1 4 4 SER HA H 4 4.400 4.400 4.584 -0.184 19906 1992 1 6 . 1 1 4 4 SER CA C 4 58.290 58.290 58.319 -0.029 19906 1993 1 6 . 1 1 4 4 SER CB C 4 63.790 63.790 63.450 0.340 19906 1994 1 6 . 1 1 5 5 GLU N N 5 121.960 121.960 126.902 -4.942 19906 1995 1 6 . 1 1 5 5 GLU HA H 5 4.410 4.410 4.659 -0.249 19906 1996 1 6 . 1 1 5 5 GLU CA C 5 55.610 55.610 56.220 -0.610 19906 1997 1 6 . 1 1 5 5 GLU CB C 5 31.950 31.950 31.332 0.618 19906 1998 1 6 . 1 1 5 5 GLU H H 5 8.450 8.450 8.670 -0.220 19906 1999 1 6 . 1 1 6 6 VAL N N 6 122.170 122.170 120.374 1.796 19906 2000 1 6 . 1 1 6 6 VAL HA H 6 4.070 4.070 4.634 -0.564 19906 2001 1 6 . 1 1 6 6 VAL CA C 6 56.380 56.380 58.964 -2.584 19906 2002 1 6 . 1 1 6 6 VAL CB C 6 29.500 29.500 32.823 -3.323 19906 2003 1 6 . 1 1 6 6 VAL H H 6 8.260 8.260 8.209 0.051 19906 2004 1 6 . 1 1 9 9 LEU N N 9 123.830 123.830 122.635 1.195 19906 2005 1 6 . 1 1 9 9 LEU HA H 9 4.490 4.490 4.646 -0.156 19906 2006 1 6 . 1 1 9 9 LEU CA C 9 54.820 54.820 54.517 0.303 19906 2007 1 6 . 1 1 9 9 LEU CB C 9 41.930 41.930 42.897 -0.966 19906 2008 1 6 . 1 1 9 9 LEU H H 9 7.770 7.770 7.999 -0.229 19906 2009 1 6 . 1 1 11 11 ASP HA H 11 4.730 4.730 4.809 -0.079 19906 2010 1 6 . 1 1 11 11 ASP CA C 11 53.060 53.060 52.770 0.290 19906 2011 1 6 . 1 1 11 11 ASP CB C 11 38.110 38.110 41.785 -3.675 19906 2012 1 6 . 1 1 12 12 LEU N N 12 122.730 122.730 126.991 -4.261 19906 2013 1 6 . 1 1 12 12 LEU HA H 12 4.660 4.660 4.345 0.315 19906 2014 1 6 . 1 1 12 12 LEU CA C 12 55.130 55.130 55.586 -0.456 19906 2015 1 6 . 1 1 12 12 LEU CB C 12 43.390 43.390 42.944 0.446 19906 2016 1 6 . 1 1 12 12 LEU H H 12 7.420 7.420 8.578 -1.158 19906 2017 1 6 . 1 1 13 13 SER N N 13 120.760 120.760 120.691 0.069 19906 2018 1 6 . 1 1 13 13 SER HA H 13 4.270 4.270 4.622 -0.352 19906 2019 1 6 . 1 1 13 13 SER CA C 13 56.880 56.880 57.056 -0.176 19906 2020 1 6 . 1 1 13 13 SER CB C 13 65.890 65.890 66.400 -0.510 19906 2021 1 6 . 1 1 13 13 SER H H 13 9.020 9.020 8.790 0.230 19906 2022 1 6 . 1 1 14 14 PHE N N 14 119.920 119.920 118.569 1.351 19906 2023 1 6 . 1 1 14 14 PHE HA H 14 5.510 5.510 4.947 0.563 19906 2024 1 6 . 1 1 14 14 PHE CA C 14 56.760 56.760 57.014 -0.254 19906 2025 1 6 . 1 1 14 14 PHE CB C 14 39.930 39.930 41.473 -1.543 19906 2026 1 6 . 1 1 14 14 PHE H H 14 8.370 8.370 8.607 -0.237 19906 2027 1 6 . 1 1 15 15 VAL N N 15 117.820 117.820 115.917 1.903 19906 2028 1 6 . 1 1 15 15 VAL HA H 15 4.680 4.680 4.567 0.113 19906 2029 1 6 . 1 1 15 15 VAL CA C 15 58.880 58.880 60.753 -1.873 19906 2030 1 6 . 1 1 15 15 VAL CB C 15 36.900 36.900 35.512 1.388 19906 2031 1 6 . 1 1 15 15 VAL H H 15 9.100 9.100 8.899 0.201 19906 2032 1 6 . 1 1 16 16 ASP N N 16 116.850 116.850 120.316 -3.466 19906 2033 1 6 . 1 1 16 16 ASP HA H 16 4.190 4.190 4.313 -0.123 19906 2034 1 6 . 1 1 16 16 ASP CA C 16 54.550 54.550 55.218 -0.668 19906 2035 1 6 . 1 1 16 16 ASP CB C 16 38.920 38.920 40.448 -1.528 19906 2036 1 6 . 1 1 16 16 ASP H H 16 8.520 8.520 8.816 -0.296 19906 2037 1 6 . 1 1 17 17 ILE N N 17 118.600 118.600 119.292 -0.692 19906 2038 1 6 . 1 1 17 17 ILE HA H 17 4.150 4.150 3.997 0.153 19906 2039 1 6 . 1 1 17 17 ILE CA C 17 63.190 63.190 62.853 0.337 19906 2040 1 6 . 1 1 17 17 ILE CB C 17 37.770 37.770 38.511 -0.741 19906 2041 1 6 . 1 1 17 17 ILE H H 17 8.150 8.150 8.009 0.141 19906 2042 1 6 . 1 1 18 18 THR N N 18 122.160 122.160 120.957 1.203 19906 2043 1 6 . 1 1 18 18 THR HA H 18 4.910 4.910 4.554 0.356 19906 2044 1 6 . 1 1 18 18 THR CA C 18 60.570 60.570 61.162 -0.592 19906 2045 1 6 . 1 1 18 18 THR CB C 18 70.600 70.600 70.433 0.167 19906 2046 1 6 . 1 1 18 18 THR H H 18 8.740 8.740 8.145 0.595 19906 2047 1 6 . 1 1 19 19 ASP N N 19 115.600 115.600 121.981 -6.381 19906 2048 1 6 . 1 1 19 19 ASP HA H 19 4.480 4.480 4.520 -0.040 19906 2049 1 6 . 1 1 19 19 ASP CA C 19 54.880 54.880 56.079 -1.199 19906 2050 1 6 . 1 1 19 19 ASP CB C 19 40.430 40.430 40.333 0.097 19906 2051 1 6 . 1 1 19 19 ASP H H 19 8.450 8.450 8.663 -0.213 19906 2052 1 6 . 1 1 20 20 SER N N 20 108.500 108.500 114.193 -5.693 19906 2053 1 6 . 1 1 20 20 SER HA H 20 4.620 4.620 4.623 -0.003 19906 2054 1 6 . 1 1 20 20 SER CA C 20 57.660 57.660 58.123 -0.463 19906 2055 1 6 . 1 1 20 20 SER CB C 20 66.090 66.090 63.961 2.129 19906 2056 1 6 . 1 1 20 20 SER H H 20 8.120 8.120 7.964 0.156 19906 2057 1 6 . 1 1 21 21 SER N N 21 116.590 116.590 114.448 2.142 19906 2058 1 6 . 1 1 21 21 SER HA H 21 5.230 5.230 5.182 0.048 19906 2059 1 6 . 1 1 21 21 SER CA C 21 56.730 56.730 57.141 -0.411 19906 2060 1 6 . 1 1 21 21 SER CB C 21 66.730 66.730 65.589 1.141 19906 2061 1 6 . 1 1 21 21 SER H H 21 7.530 7.530 7.658 -0.128 19906 2062 1 6 . 1 1 22 22 ILE N N 22 113.850 113.850 117.511 -3.661 19906 2063 1 6 . 1 1 22 22 ILE HA H 22 4.490 4.490 4.750 -0.260 19906 2064 1 6 . 1 1 22 22 ILE CA C 22 60.320 60.320 59.070 1.250 19906 2065 1 6 . 1 1 22 22 ILE CB C 22 42.650 42.650 42.037 0.613 19906 2066 1 6 . 1 1 22 22 ILE H H 22 8.210 8.210 8.007 0.203 19906 2067 1 6 . 1 1 23 23 GLY N N 23 112.950 112.950 112.827 0.123 19906 2068 1 6 . 1 1 23 23 GLY CA C 23 44.110 44.110 43.989 0.121 19906 2069 1 6 . 1 1 23 23 GLY H H 23 8.300 8.300 8.475 -0.175 19906 2070 1 6 . 1 1 24 24 LEU N N 24 123.740 123.740 126.450 -2.710 19906 2071 1 6 . 1 1 24 24 LEU HA H 24 4.820 4.820 4.194 0.626 19906 2072 1 6 . 1 1 24 24 LEU CA C 24 53.930 53.930 56.288 -2.358 19906 2073 1 6 . 1 1 24 24 LEU CB C 24 42.470 42.470 42.974 -0.504 19906 2074 1 6 . 1 1 24 24 LEU H H 24 8.820 8.820 7.818 1.002 19906 2075 1 6 . 1 1 25 25 ARG N N 25 119.980 119.980 120.776 -0.796 19906 2076 1 6 . 1 1 25 25 ARG HA H 25 4.890 4.890 4.470 0.420 19906 2077 1 6 . 1 1 25 25 ARG CA C 25 54.040 54.040 55.654 -1.613 19906 2078 1 6 . 1 1 25 25 ARG CB C 25 33.850 33.850 34.020 -0.170 19906 2079 1 6 . 1 1 25 25 ARG H H 25 8.570 8.570 8.047 0.523 19906 2080 1 6 . 1 1 26 26 TRP N N 26 122.480 122.480 123.590 -1.110 19906 2081 1 6 . 1 1 26 26 TRP HA H 26 4.840 4.840 5.086 -0.246 19906 2082 1 6 . 1 1 26 26 TRP CA C 26 56.790 56.790 55.658 1.132 19906 2083 1 6 . 1 1 26 26 TRP CB C 26 31.460 31.460 31.153 0.307 19906 2084 1 6 . 1 1 26 26 TRP H H 26 7.960 7.960 7.428 0.532 19906 2085 1 6 . 1 1 27 27 THR N N 27 119.820 119.820 117.826 1.994 19906 2086 1 6 . 1 1 27 27 THR HA H 27 4.750 4.750 4.720 0.030 19906 2087 1 6 . 1 1 27 27 THR CA C 27 60.690 60.690 60.263 0.427 19906 2088 1 6 . 1 1 27 27 THR CB C 27 68.460 68.460 68.706 -0.246 19906 2089 1 6 . 1 1 27 27 THR H H 27 9.780 9.780 8.298 1.482 19906 2090 1 6 . 1 1 28 28 PRO HA H 28 4.470 4.470 4.411 0.059 19906 2091 1 6 . 1 1 28 28 PRO CA C 28 63.260 63.260 63.204 0.056 19906 2092 1 6 . 1 1 28 28 PRO CB C 28 31.980 31.980 32.268 -0.288 19906 2093 1 6 . 1 1 29 29 LEU N N 29 124.220 124.220 121.324 2.896 19906 2094 1 6 . 1 1 29 29 LEU HA H 29 4.490 4.490 4.575 -0.085 19906 2095 1 6 . 1 1 29 29 LEU CA C 29 54.150 54.150 53.562 0.588 19906 2096 1 6 . 1 1 29 29 LEU CB C 29 43.040 43.040 43.793 -0.753 19906 2097 1 6 . 1 1 29 29 LEU H H 29 8.570 8.570 8.110 0.460 19906 2098 1 6 . 1 1 30 30 ASN N N 30 119.950 119.950 123.149 -3.199 19906 2099 1 6 . 1 1 30 30 ASN HA H 30 4.700 4.700 4.376 0.324 19906 2100 1 6 . 1 1 30 30 ASN CA C 30 53.570 53.570 55.880 -2.311 19906 2101 1 6 . 1 1 30 30 ASN CB C 30 38.340 38.340 38.380 -0.040 19906 2102 1 6 . 1 1 30 30 ASN H H 30 8.630 8.630 8.988 -0.358 19906 2103 1 6 . 1 1 31 31 SER N N 31 114.290 114.290 112.674 1.616 19906 2104 1 6 . 1 1 31 31 SER HA H 31 4.560 4.560 4.475 0.085 19906 2105 1 6 . 1 1 31 31 SER CA C 31 57.500 57.500 59.000 -1.500 19906 2106 1 6 . 1 1 31 31 SER CB C 31 63.480 63.480 63.690 -0.210 19906 2107 1 6 . 1 1 31 31 SER H H 31 8.090 8.090 8.037 0.053 19906 2108 1 6 . 1 1 32 32 SER HA H 32 4.560 4.560 4.352 0.208 19906 2109 1 6 . 1 1 32 32 SER CA C 32 58.140 58.140 59.429 -1.289 19906 2110 1 6 . 1 1 32 32 SER CB C 32 63.730 63.730 63.629 0.101 19906 2111 1 6 . 1 1 33 33 THR N N 33 114.160 114.160 120.289 -6.129 19906 2112 1 6 . 1 1 33 33 THR HA H 33 4.300 4.300 4.204 0.096 19906 2113 1 6 . 1 1 33 33 THR CA C 33 63.620 63.620 63.072 0.548 19906 2114 1 6 . 1 1 33 33 THR CB C 33 69.530 69.530 69.476 0.054 19906 2115 1 6 . 1 1 33 33 THR H H 33 8.000 8.000 8.287 -0.287 19906 2116 1 6 . 1 1 34 34 ILE N N 34 121.090 121.090 126.614 -5.524 19906 2117 1 6 . 1 1 34 34 ILE HA H 34 4.300 4.300 4.314 -0.013 19906 2118 1 6 . 1 1 34 34 ILE CA C 34 61.920 61.920 60.517 1.403 19906 2119 1 6 . 1 1 34 34 ILE CB C 34 38.080 38.080 36.273 1.808 19906 2120 1 6 . 1 1 34 34 ILE H H 34 7.980 7.980 8.453 -0.473 19906 2121 1 6 . 1 1 35 35 ILE N N 35 126.230 126.230 122.807 3.423 19906 2122 1 6 . 1 1 35 35 ILE HA H 35 4.220 4.220 4.604 -0.384 19906 2123 1 6 . 1 1 35 35 ILE CA C 35 61.720 61.720 58.983 2.737 19906 2124 1 6 . 1 1 35 35 ILE CB C 35 38.790 38.790 41.685 -2.895 19906 2125 1 6 . 1 1 35 35 ILE H H 35 8.810 8.810 7.712 1.098 19906 2126 1 6 . 1 1 36 36 GLY CA C 36 45.520 45.520 45.026 0.494 19906 2127 1 6 . 1 1 37 37 TYR N N 37 120.400 120.400 124.378 -3.978 19906 2128 1 6 . 1 1 37 37 TYR HA H 37 5.070 5.070 4.416 0.654 19906 2129 1 6 . 1 1 37 37 TYR CA C 37 57.930 57.930 55.216 2.714 19906 2130 1 6 . 1 1 37 37 TYR CB C 37 38.950 38.950 39.251 -0.301 19906 2131 1 6 . 1 1 37 37 TYR H H 37 7.340 7.340 7.925 -0.585 19906 2132 1 6 . 1 1 38 38 ARG HA H 38 5.150 5.150 4.155 0.995 19906 2133 1 6 . 1 1 38 38 ARG CA C 38 54.450 54.450 54.911 -0.461 19906 2134 1 6 . 1 1 38 38 ARG CB C 38 31.530 31.530 30.903 0.627 19906 2135 1 6 . 1 1 39 39 ILE N N 39 129.570 129.570 124.433 5.137 19906 2136 1 6 . 1 1 39 39 ILE HA H 39 5.060 5.060 4.248 0.812 19906 2137 1 6 . 1 1 39 39 ILE CA C 39 60.030 60.030 60.132 -0.102 19906 2138 1 6 . 1 1 39 39 ILE CB C 39 40.780 40.780 38.244 2.536 19906 2139 1 6 . 1 1 39 39 ILE H H 39 9.040 9.040 8.022 1.018 19906 2140 1 6 . 1 1 40 40 THR N N 40 120.430 120.430 122.698 -2.268 19906 2141 1 6 . 1 1 40 40 THR HA H 40 5.210 5.210 4.552 0.658 19906 2142 1 6 . 1 1 40 40 THR CA C 40 61.130 61.130 62.277 -1.147 19906 2143 1 6 . 1 1 40 40 THR CB C 40 71.090 71.090 70.235 0.855 19906 2144 1 6 . 1 1 40 40 THR H H 40 8.880 8.880 7.925 0.955 19906 2145 1 6 . 1 1 41 41 VAL HA H 41 5.030 5.030 4.580 0.450 19906 2146 1 6 . 1 1 41 41 VAL CA C 41 61.280 61.280 60.234 1.046 19906 2147 1 6 . 1 1 41 41 VAL CB C 41 33.800 33.800 34.427 -0.627 19906 2148 1 6 . 1 1 41 41 VAL H H 41 8.820 8.820 8.462 0.358 19906 2149 1 6 . 1 1 42 42 VAL N N 42 127.670 127.670 126.442 1.228 19906 2150 1 6 . 1 1 42 42 VAL HA H 42 4.650 4.650 4.393 0.257 19906 2151 1 6 . 1 1 42 42 VAL CA C 42 60.320 60.320 60.324 -0.004 19906 2152 1 6 . 1 1 42 42 VAL CB C 42 35.800 35.800 36.558 -0.758 19906 2153 1 6 . 1 1 42 42 VAL H H 42 9.100 9.100 9.144 -0.044 19906 2154 1 6 . 1 1 43 43 ALA N N 43 131.340 131.340 128.773 2.567 19906 2155 1 6 . 1 1 43 43 ALA HA H 43 4.410 4.410 3.961 0.449 19906 2156 1 6 . 1 1 43 43 ALA CA C 43 52.420 52.420 50.600 1.819 19906 2157 1 6 . 1 1 43 43 ALA CB C 43 18.750 18.750 19.508 -0.758 19906 2158 1 6 . 1 1 43 43 ALA H H 43 9.420 9.420 8.423 0.997 19906 2159 1 6 . 1 1 44 44 ALA N N 44 126.040 126.040 126.209 -0.169 19906 2160 1 6 . 1 1 44 44 ALA HA H 44 4.120 4.120 4.355 -0.235 19906 2161 1 6 . 1 1 44 44 ALA CA C 44 53.790 53.790 52.851 0.939 19906 2162 1 6 . 1 1 44 44 ALA CB C 44 18.680 18.680 19.412 -0.732 19906 2163 1 6 . 1 1 44 44 ALA H H 44 8.260 8.260 8.124 0.136 19906 2164 1 6 . 1 1 45 45 GLY CA C 45 45.620 45.620 44.885 0.735 19906 2165 1 6 . 1 1 45 45 GLY H H 45 8.700 8.700 8.255 0.445 19906 2166 1 6 . 1 1 46 46 GLU N N 46 119.650 119.650 118.672 0.978 19906 2167 1 6 . 1 1 46 46 GLU HA H 46 4.470 4.470 4.450 0.020 19906 2168 1 6 . 1 1 46 46 GLU CA C 46 55.870 55.870 55.190 0.680 19906 2169 1 6 . 1 1 46 46 GLU CB C 46 30.520 30.520 31.933 -1.413 19906 2170 1 6 . 1 1 46 46 GLU H H 46 8.110 8.110 7.284 0.826 19906 2171 1 6 . 1 1 47 47 GLY N N 47 107.160 107.160 109.871 -2.711 19906 2172 1 6 . 1 1 47 47 GLY CA C 47 45.910 45.910 45.810 0.100 19906 2173 1 6 . 1 1 47 47 GLY H H 47 8.400 8.400 8.645 -0.245 19906 2174 1 6 . 1 1 48 48 ILE N N 48 120.010 120.010 121.113 -1.103 19906 2175 1 6 . 1 1 48 48 ILE HA H 48 4.620 4.620 4.335 0.285 19906 2176 1 6 . 1 1 48 48 ILE CA C 48 58.500 58.500 57.857 0.643 19906 2177 1 6 . 1 1 48 48 ILE CB C 48 39.400 39.400 41.282 -1.882 19906 2178 1 6 . 1 1 48 48 ILE H H 48 7.440 7.440 7.352 0.088 19906 2179 1 6 . 1 1 49 49 PRO HA H 49 4.530 4.530 4.504 0.026 19906 2180 1 6 . 1 1 49 49 PRO CA C 49 63.590 63.590 62.153 1.437 19906 2181 1 6 . 1 1 49 49 PRO CB C 49 31.880 31.880 32.203 -0.323 19906 2182 1 6 . 1 1 50 50 ILE N N 50 122.120 122.120 119.907 2.213 19906 2183 1 6 . 1 1 50 50 ILE HA H 50 4.150 4.150 4.008 0.142 19906 2184 1 6 . 1 1 50 50 ILE CA C 50 63.310 63.310 61.148 2.162 19906 2185 1 6 . 1 1 50 50 ILE CB C 50 38.020 38.020 38.682 -0.662 19906 2186 1 6 . 1 1 50 50 ILE H H 50 8.720 8.720 7.958 0.762 19906 2187 1 6 . 1 1 51 51 PHE HA H 51 4.770 4.770 4.503 0.267 19906 2188 1 6 . 1 1 51 51 PHE CA C 51 57.900 57.900 57.990 -0.090 19906 2189 1 6 . 1 1 51 51 PHE CB C 51 41.870 41.870 39.650 2.220 19906 2190 1 6 . 1 1 52 52 GLU HA H 52 5.350 5.350 4.169 1.181 19906 2191 1 6 . 1 1 52 52 GLU CA C 52 55.140 55.140 55.386 -0.246 19906 2192 1 6 . 1 1 52 52 GLU CB C 52 32.030 32.030 30.364 1.666 19906 2193 1 6 . 1 1 53 53 ASP N N 53 122.750 122.750 122.032 0.718 19906 2194 1 6 . 1 1 53 53 ASP HA H 53 5.000 5.000 4.776 0.224 19906 2195 1 6 . 1 1 53 53 ASP CA C 53 52.950 52.950 53.392 -0.441 19906 2196 1 6 . 1 1 53 53 ASP CB C 53 44.770 44.770 44.075 0.695 19906 2197 1 6 . 1 1 53 53 ASP H H 53 8.850 8.850 7.807 1.043 19906 2198 1 6 . 1 1 54 54 PHE N N 54 121.100 121.100 119.489 1.611 19906 2199 1 6 . 1 1 54 54 PHE HA H 54 5.380 5.380 4.533 0.847 19906 2200 1 6 . 1 1 54 54 PHE CA C 54 56.180 56.180 56.874 -0.695 19906 2201 1 6 . 1 1 54 54 PHE CB C 54 42.110 42.110 39.958 2.152 19906 2202 1 6 . 1 1 54 54 PHE H H 54 8.770 8.770 8.615 0.155 19906 2203 1 6 . 1 1 55 55 VAL N N 55 125.760 125.760 124.270 1.490 19906 2204 1 6 . 1 1 55 55 VAL HA H 55 4.320 4.320 4.394 -0.074 19906 2205 1 6 . 1 1 55 55 VAL CA C 55 59.140 59.140 59.732 -0.592 19906 2206 1 6 . 1 1 55 55 VAL CB C 55 34.940 34.940 35.352 -0.412 19906 2207 1 6 . 1 1 55 55 VAL H H 55 8.290 8.290 7.969 0.321 19906 2208 1 6 . 1 1 56 56 ASP N N 56 127.100 127.100 127.722 -0.622 19906 2209 1 6 . 1 1 56 56 ASP HA H 56 4.560 4.560 4.692 -0.132 19906 2210 1 6 . 1 1 56 56 ASP CA C 56 54.980 54.980 54.576 0.404 19906 2211 1 6 . 1 1 56 56 ASP CB C 56 42.730 42.730 41.684 1.046 19906 2212 1 6 . 1 1 56 56 ASP H H 56 8.460 8.460 8.715 -0.255 19906 2213 1 6 . 1 1 57 57 SER N N 57 119.630 119.630 117.413 2.217 19906 2214 1 6 . 1 1 57 57 SER HA H 57 4.330 4.330 4.548 -0.218 19906 2215 1 6 . 1 1 57 57 SER CA C 57 60.630 60.630 61.755 -1.125 19906 2216 1 6 . 1 1 57 57 SER CB C 57 62.680 62.680 63.368 -0.688 19906 2217 1 6 . 1 1 57 57 SER H H 57 8.260 8.260 8.809 -0.549 19906 2218 1 6 . 1 1 58 58 SER N N 58 117.030 117.030 116.718 0.312 19906 2219 1 6 . 1 1 58 58 SER HA H 58 4.400 4.400 4.284 0.116 19906 2220 1 6 . 1 1 58 58 SER CA C 58 60.430 60.430 61.243 -0.813 19906 2221 1 6 . 1 1 58 58 SER CB C 58 63.700 63.700 62.929 0.771 19906 2222 1 6 . 1 1 58 58 SER H H 58 9.080 9.080 8.499 0.581 19906 2223 1 6 . 1 1 59 59 VAL N N 59 119.350 119.350 119.333 0.017 19906 2224 1 6 . 1 1 59 59 VAL HA H 59 3.790 3.790 3.868 -0.078 19906 2225 1 6 . 1 1 59 59 VAL CA C 59 65.670 65.670 64.375 1.295 19906 2226 1 6 . 1 1 59 59 VAL CB C 59 32.400 32.400 31.727 0.673 19906 2227 1 6 . 1 1 59 59 VAL H H 59 7.570 7.570 7.528 0.042 19906 2228 1 6 . 1 1 60 60 GLY N N 60 104.070 104.070 108.092 -4.022 19906 2229 1 6 . 1 1 60 60 GLY CA C 60 44.430 44.430 45.226 -0.796 19906 2230 1 6 . 1 1 60 60 GLY H H 60 6.120 6.120 7.894 -1.774 19906 2231 1 6 . 1 1 61 61 TYR N N 61 117.690 117.690 117.099 0.591 19906 2232 1 6 . 1 1 61 61 TYR HA H 61 5.030 5.030 4.382 0.648 19906 2233 1 6 . 1 1 61 61 TYR CA C 61 56.320 56.320 56.850 -0.530 19906 2234 1 6 . 1 1 61 61 TYR CB C 61 41.700 41.700 41.056 0.644 19906 2235 1 6 . 1 1 61 61 TYR H H 61 6.080 6.080 7.322 -1.242 19906 2236 1 6 . 1 1 62 62 TYR N N 62 126.650 126.650 123.974 2.676 19906 2237 1 6 . 1 1 62 62 TYR HA H 62 4.440 4.440 4.602 -0.162 19906 2238 1 6 . 1 1 62 62 TYR CA C 62 58.560 58.560 57.466 1.094 19906 2239 1 6 . 1 1 62 62 TYR CB C 62 43.550 43.550 43.035 0.515 19906 2240 1 6 . 1 1 62 62 TYR H H 62 8.440 8.440 7.323 1.117 19906 2241 1 6 . 1 1 63 63 THR N N 63 122.160 122.160 117.584 4.576 19906 2242 1 6 . 1 1 63 63 THR HA H 63 4.780 4.780 4.564 0.216 19906 2243 1 6 . 1 1 63 63 THR CA C 63 61.610 61.610 60.619 0.991 19906 2244 1 6 . 1 1 63 63 THR CB C 63 69.810 69.810 70.406 -0.596 19906 2245 1 6 . 1 1 63 63 THR H H 63 7.380 7.380 6.923 0.457 19906 2246 1 6 . 1 1 64 64 VAL N N 64 127.940 127.940 122.883 5.057 19906 2247 1 6 . 1 1 64 64 VAL HA H 64 3.660 3.660 4.622 -0.962 19906 2248 1 6 . 1 1 64 64 VAL CA C 64 61.840 61.840 60.968 0.872 19906 2249 1 6 . 1 1 64 64 VAL CB C 64 31.840 31.840 32.375 -0.535 19906 2250 1 6 . 1 1 64 64 VAL H H 64 8.860 8.860 8.071 0.789 19906 2251 1 6 . 1 1 65 65 THR N N 65 116.150 116.150 115.899 0.251 19906 2252 1 6 . 1 1 65 65 THR HA H 65 4.640 4.640 5.111 -0.471 19906 2253 1 6 . 1 1 65 65 THR CA C 65 59.470 59.470 59.511 -0.041 19906 2254 1 6 . 1 1 65 65 THR CB C 65 71.160 71.160 71.101 0.059 19906 2255 1 6 . 1 1 65 65 THR H H 65 7.290 7.290 8.132 -0.842 19906 2256 1 6 . 1 1 66 66 GLY N N 66 105.560 105.560 108.974 -3.414 19906 2257 1 6 . 1 1 66 66 GLY CA C 66 45.860 45.860 44.760 1.100 19906 2258 1 6 . 1 1 66 66 GLY H H 66 8.450 8.450 8.390 0.060 19906 2259 1 6 . 1 1 67 67 LEU N N 67 119.080 119.080 121.304 -2.224 19906 2260 1 6 . 1 1 67 67 LEU HA H 67 4.180 4.180 3.896 0.284 19906 2261 1 6 . 1 1 67 67 LEU CA C 67 53.380 53.380 52.878 0.502 19906 2262 1 6 . 1 1 67 67 LEU CB C 67 41.630 41.630 40.812 0.818 19906 2263 1 6 . 1 1 67 67 LEU H H 67 7.850 7.850 7.583 0.267 19906 2264 1 6 . 1 1 68 68 GLU N N 68 120.030 120.030 123.961 -3.931 19906 2265 1 6 . 1 1 68 68 GLU HA H 68 4.920 4.920 4.292 0.628 19906 2266 1 6 . 1 1 68 68 GLU CA C 68 52.510 52.510 55.592 -3.082 19906 2267 1 6 . 1 1 68 68 GLU CB C 68 31.040 31.040 29.147 1.893 19906 2268 1 6 . 1 1 68 68 GLU H H 68 8.500 8.500 8.505 -0.005 19906 2269 1 6 . 1 1 69 69 PRO HA H 69 4.470 4.470 4.444 0.026 19906 2270 1 6 . 1 1 69 69 PRO CA C 69 62.740 62.740 63.153 -0.413 19906 2271 1 6 . 1 1 69 69 PRO CB C 69 31.410 31.410 32.111 -0.701 19906 2272 1 6 . 1 1 70 70 GLY N N 70 106.940 106.940 108.724 -1.784 19906 2273 1 6 . 1 1 70 70 GLY CA C 70 45.830 45.830 45.686 0.144 19906 2274 1 6 . 1 1 70 70 GLY H H 70 8.500 8.500 8.818 -0.318 19906 2275 1 6 . 1 1 71 71 ILE N N 71 120.080 120.080 121.537 -1.457 19906 2276 1 6 . 1 1 71 71 ILE HA H 71 4.080 4.080 4.187 -0.107 19906 2277 1 6 . 1 1 71 71 ILE CA C 71 58.710 58.710 60.125 -1.415 19906 2278 1 6 . 1 1 71 71 ILE CB C 71 40.410 40.410 39.696 0.714 19906 2279 1 6 . 1 1 71 71 ILE H H 71 7.510 7.510 7.447 0.063 19906 2280 1 6 . 1 1 72 72 ASP N N 72 124.920 124.920 127.195 -2.275 19906 2281 1 6 . 1 1 72 72 ASP HA H 72 4.930 4.930 4.633 0.297 19906 2282 1 6 . 1 1 72 72 ASP CA C 72 54.260 54.260 53.651 0.609 19906 2283 1 6 . 1 1 72 72 ASP CB C 72 41.120 41.120 41.574 -0.454 19906 2284 1 6 . 1 1 72 72 ASP H H 72 8.190 8.190 8.497 -0.307 19906 2285 1 6 . 1 1 73 73 TYR N N 73 122.440 122.440 124.892 -2.452 19906 2286 1 6 . 1 1 73 73 TYR HA H 73 5.070 5.070 4.795 0.275 19906 2287 1 6 . 1 1 73 73 TYR CA C 73 57.390 57.390 57.655 -0.265 19906 2288 1 6 . 1 1 73 73 TYR CB C 73 40.550 40.550 40.643 -0.093 19906 2289 1 6 . 1 1 73 73 TYR H H 73 9.310 9.310 8.576 0.734 19906 2290 1 6 . 1 1 74 74 ASP N N 74 122.980 122.980 125.006 -2.026 19906 2291 1 6 . 1 1 74 74 ASP HA H 74 5.220 5.220 4.920 0.300 19906 2292 1 6 . 1 1 74 74 ASP CA C 74 53.900 53.900 54.126 -0.226 19906 2293 1 6 . 1 1 74 74 ASP CB C 74 42.120 42.120 41.678 0.442 19906 2294 1 6 . 1 1 74 74 ASP H H 74 9.290 9.290 8.924 0.366 19906 2295 1 6 . 1 1 75 75 ILE N N 75 124.270 124.270 120.494 3.776 19906 2296 1 6 . 1 1 75 75 ILE HA H 75 5.470 5.470 4.810 0.660 19906 2297 1 6 . 1 1 75 75 ILE CA C 75 58.400 58.400 58.192 0.208 19906 2298 1 6 . 1 1 75 75 ILE CB C 75 40.900 40.900 40.910 -0.010 19906 2299 1 6 . 1 1 75 75 ILE H H 75 8.810 8.810 8.287 0.523 19906 2300 1 6 . 1 1 76 76 SER N N 76 121.300 121.300 116.796 4.504 19906 2301 1 6 . 1 1 76 76 SER HA H 76 5.800 5.800 4.737 1.063 19906 2302 1 6 . 1 1 76 76 SER CA C 76 56.340 56.340 58.033 -1.693 19906 2303 1 6 . 1 1 76 76 SER CB C 76 66.180 66.180 64.493 1.687 19906 2304 1 6 . 1 1 76 76 SER H H 76 8.760 8.760 8.681 0.079 19906 2305 1 6 . 1 1 77 77 VAL N N 77 124.740 124.740 125.317 -0.577 19906 2306 1 6 . 1 1 77 77 VAL HA H 77 4.760 4.760 4.239 0.521 19906 2307 1 6 . 1 1 77 77 VAL CA C 77 61.190 61.190 61.674 -0.484 19906 2308 1 6 . 1 1 77 77 VAL CB C 77 33.270 33.270 31.680 1.590 19906 2309 1 6 . 1 1 77 77 VAL H H 77 9.420 9.420 8.542 0.878 19906 2310 1 6 . 1 1 78 78 ILE N N 78 126.300 126.300 130.091 -3.791 19906 2311 1 6 . 1 1 78 78 ILE HA H 78 4.710 4.710 4.177 0.533 19906 2312 1 6 . 1 1 78 78 ILE CA C 78 61.160 61.160 60.949 0.211 19906 2313 1 6 . 1 1 78 78 ILE CB C 78 41.050 41.050 38.146 2.904 19906 2314 1 6 . 1 1 78 78 ILE H H 78 9.370 9.370 8.204 1.166 19906 2315 1 6 . 1 1 79 79 THR N N 79 122.350 122.350 120.629 1.721 19906 2316 1 6 . 1 1 79 79 THR HA H 79 4.280 4.280 4.434 -0.154 19906 2317 1 6 . 1 1 79 79 THR CA C 79 64.260 64.260 61.279 2.981 19906 2318 1 6 . 1 1 79 79 THR CB C 79 69.130 69.130 69.374 -0.244 19906 2319 1 6 . 1 1 79 79 THR H H 79 8.550 8.550 8.405 0.145 19906 2320 1 6 . 1 1 80 80 LEU N N 80 128.900 128.900 129.652 -0.752 19906 2321 1 6 . 1 1 80 80 LEU HA H 80 4.730 4.730 4.656 0.074 19906 2322 1 6 . 1 1 80 80 LEU CA C 80 54.060 54.060 54.300 -0.240 19906 2323 1 6 . 1 1 80 80 LEU CB C 80 41.470 41.470 43.197 -1.728 19906 2324 1 6 . 1 1 80 80 LEU H H 80 8.660 8.660 8.491 0.169 19906 2325 1 6 . 1 1 81 81 ILE N N 81 121.640 121.640 120.552 1.088 19906 2326 1 6 . 1 1 81 81 ILE HA H 81 4.870 4.870 4.323 0.547 19906 2327 1 6 . 1 1 81 81 ILE CA C 81 59.300 59.300 60.337 -1.037 19906 2328 1 6 . 1 1 81 81 ILE CB C 81 40.510 40.510 41.417 -0.907 19906 2329 1 6 . 1 1 81 81 ILE H H 81 8.350 8.350 8.165 0.185 19906 2330 1 6 . 1 1 82 82 ASN N N 82 123.240 123.240 122.929 0.311 19906 2331 1 6 . 1 1 82 82 ASN HA H 82 4.640 4.640 4.575 0.065 19906 2332 1 6 . 1 1 82 82 ASN CA C 82 53.450 53.450 54.055 -0.605 19906 2333 1 6 . 1 1 82 82 ASN CB C 82 38.940 38.940 39.273 -0.333 19906 2334 1 6 . 1 1 82 82 ASN H H 82 8.820 8.820 8.695 0.125 19906 2335 1 6 . 1 1 83 83 GLY N N 83 112.680 112.680 108.422 4.258 19906 2336 1 6 . 1 1 83 83 GLY CA C 83 45.420 45.420 44.448 0.972 19906 2337 1 6 . 1 1 83 83 GLY H H 83 8.630 8.630 8.582 0.048 19906 2338 1 6 . 1 1 84 84 GLY N N 84 108.560 108.560 107.309 1.251 19906 2339 1 6 . 1 1 84 84 GLY CA C 84 45.190 45.190 44.459 0.731 19906 2340 1 6 . 1 1 84 84 GLY H H 84 8.280 8.280 8.251 0.029 19906 2341 1 6 . 1 1 85 85 GLU N N 85 120.690 120.690 119.763 0.927 19906 2342 1 6 . 1 1 85 85 GLU HA H 85 4.320 4.320 4.266 0.054 19906 2343 1 6 . 1 1 85 85 GLU CA C 85 56.480 56.480 56.026 0.454 19906 2344 1 6 . 1 1 85 85 GLU CB C 85 30.480 30.480 30.640 -0.160 19906 2345 1 6 . 1 1 85 85 GLU H H 85 8.460 8.460 8.214 0.246 19906 2346 1 6 . 1 1 86 86 SER N N 86 116.860 116.860 116.260 0.600 19906 2347 1 6 . 1 1 86 86 SER HA H 86 4.430 4.430 4.241 0.189 19906 2348 1 6 . 1 1 86 86 SER CA C 86 57.920 57.920 59.292 -1.372 19906 2349 1 6 . 1 1 86 86 SER CB C 86 63.720 63.720 63.310 0.410 19906 2350 1 6 . 1 1 86 86 SER H H 86 8.350 8.350 8.394 -0.044 19906 2351 1 6 . 1 1 87 87 ALA N N 87 126.890 126.890 126.810 0.080 19906 2352 1 6 . 1 1 87 87 ALA HA H 87 4.580 4.580 4.444 0.136 19906 2353 1 6 . 1 1 87 87 ALA CA C 87 50.450 50.450 51.335 -0.885 19906 2354 1 6 . 1 1 87 87 ALA CB C 87 18.110 18.110 18.904 -0.794 19906 2355 1 6 . 1 1 87 87 ALA H H 87 8.240 8.240 8.517 -0.277 19906 2356 1 6 . 1 1 88 88 PRO HA H 88 4.470 4.470 4.704 -0.234 19906 2357 1 6 . 1 1 88 88 PRO CA C 88 62.960 62.960 63.042 -0.082 19906 2358 1 6 . 1 1 88 88 PRO CB C 88 31.460 31.460 32.429 -0.970 19906 2359 1 6 . 1 1 89 89 THR N N 89 114.280 114.280 113.245 1.035 19906 2360 1 6 . 1 1 89 89 THR HA H 89 4.340 4.340 4.550 -0.210 19906 2361 1 6 . 1 1 89 89 THR CA C 89 62.320 62.320 61.272 1.048 19906 2362 1 6 . 1 1 89 89 THR CB C 89 69.530 69.530 70.381 -0.851 19906 2363 1 6 . 1 1 89 89 THR H H 89 8.270 8.270 8.107 0.163 19906 2364 1 6 . 1 1 90 90 THR N N 90 116.290 116.290 120.235 -3.945 19906 2365 1 6 . 1 1 90 90 THR HA H 90 4.330 4.330 4.641 -0.311 19906 2366 1 6 . 1 1 90 90 THR CA C 90 61.890 61.890 61.669 0.221 19906 2367 1 6 . 1 1 90 90 THR CB C 90 69.500 69.500 69.901 -0.401 19906 2368 1 6 . 1 1 90 90 THR H H 90 8.090 8.090 8.172 -0.082 19906 2369 1 6 . 1 1 91 91 LEU N N 91 124.660 124.660 126.611 -1.951 19906 2370 1 6 . 1 1 91 91 LEU HA H 91 4.410 4.410 4.465 -0.055 19906 2371 1 6 . 1 1 91 91 LEU CA C 91 55.590 55.590 54.388 1.202 19906 2372 1 6 . 1 1 91 91 LEU CB C 91 41.600 41.600 42.453 -0.853 19906 2373 1 6 . 1 1 91 91 LEU H H 91 8.290 8.290 8.336 -0.046 19906 2374 1 6 . 1 1 92 92 THR N N 92 115.030 115.030 113.894 1.136 19906 2375 1 6 . 1 1 92 92 THR HA H 92 4.300 4.300 4.218 0.082 19906 2376 1 6 . 1 1 92 92 THR CA C 92 61.890 61.890 61.678 0.211 19906 2377 1 6 . 1 1 92 92 THR CB C 92 69.500 69.500 69.638 -0.138 19906 2378 1 6 . 1 1 92 92 THR H H 92 8.100 8.100 8.023 0.077 19906 2379 1 6 . 1 1 93 93 GLN N N 93 123.200 123.200 121.725 1.475 19906 2380 1 6 . 1 1 93 93 GLN HA H 93 4.350 4.350 4.248 0.102 19906 2381 1 6 . 1 1 93 93 GLN CA C 93 55.720 55.720 56.439 -0.719 19906 2382 1 6 . 1 1 93 93 GLN CB C 93 29.050 29.050 28.803 0.247 19906 2383 1 6 . 1 1 93 93 GLN H H 93 8.380 8.380 8.391 -0.011 19906 2384 1 6 . 1 1 94 94 GLN N N 94 122.720 122.720 124.382 -1.662 19906 2385 1 6 . 1 1 94 94 GLN HA H 94 4.400 4.400 4.042 0.358 19906 2386 1 6 . 1 1 94 94 GLN CA C 94 55.780 55.780 56.557 -0.777 19906 2387 1 6 . 1 1 94 94 GLN CB C 94 29.100 29.100 28.583 0.517 19906 2388 1 6 . 1 1 94 94 GLN H H 94 8.480 8.480 8.778 -0.298 19906 2389 1 7 . 1 1 4 4 SER HA H 4 4.400 4.400 4.274 0.126 19906 2390 1 7 . 1 1 4 4 SER CA C 4 58.290 58.290 58.433 -0.143 19906 2391 1 7 . 1 1 4 4 SER CB C 4 63.790 63.790 62.645 1.145 19906 2392 1 7 . 1 1 5 5 GLU N N 5 121.960 121.960 118.950 3.010 19906 2393 1 7 . 1 1 5 5 GLU HA H 5 4.410 4.410 4.172 0.238 19906 2394 1 7 . 1 1 5 5 GLU CA C 5 55.610 55.610 56.475 -0.865 19906 2395 1 7 . 1 1 5 5 GLU CB C 5 31.950 31.950 30.248 1.702 19906 2396 1 7 . 1 1 5 5 GLU H H 5 8.450 8.450 8.057 0.393 19906 2397 1 7 . 1 1 6 6 VAL N N 6 122.170 122.170 118.848 3.322 19906 2398 1 7 . 1 1 6 6 VAL HA H 6 4.070 4.070 4.386 -0.316 19906 2399 1 7 . 1 1 6 6 VAL CA C 6 56.380 56.380 59.086 -2.706 19906 2400 1 7 . 1 1 6 6 VAL CB C 6 29.500 29.500 32.066 -2.566 19906 2401 1 7 . 1 1 6 6 VAL H H 6 8.260 8.260 7.987 0.273 19906 2402 1 7 . 1 1 9 9 LEU N N 9 123.830 123.830 125.742 -1.912 19906 2403 1 7 . 1 1 9 9 LEU HA H 9 4.490 4.490 4.643 -0.153 19906 2404 1 7 . 1 1 9 9 LEU CA C 9 54.820 54.820 54.182 0.638 19906 2405 1 7 . 1 1 9 9 LEU CB C 9 41.930 41.930 41.954 -0.024 19906 2406 1 7 . 1 1 9 9 LEU H H 9 7.770 7.770 8.531 -0.761 19906 2407 1 7 . 1 1 11 11 ASP HA H 11 4.730 4.730 4.617 0.113 19906 2408 1 7 . 1 1 11 11 ASP CA C 11 53.060 53.060 53.062 -0.002 19906 2409 1 7 . 1 1 11 11 ASP CB C 11 38.110 38.110 41.813 -3.703 19906 2410 1 7 . 1 1 12 12 LEU N N 12 122.730 122.730 121.983 0.747 19906 2411 1 7 . 1 1 12 12 LEU HA H 12 4.660 4.660 4.336 0.324 19906 2412 1 7 . 1 1 12 12 LEU CA C 12 55.130 55.130 55.643 -0.513 19906 2413 1 7 . 1 1 12 12 LEU CB C 12 43.390 43.390 42.695 0.695 19906 2414 1 7 . 1 1 12 12 LEU H H 12 7.420 7.420 8.299 -0.879 19906 2415 1 7 . 1 1 13 13 SER N N 13 120.760 120.760 119.484 1.276 19906 2416 1 7 . 1 1 13 13 SER HA H 13 4.270 4.270 4.489 -0.219 19906 2417 1 7 . 1 1 13 13 SER CA C 13 56.880 56.880 56.889 -0.009 19906 2418 1 7 . 1 1 13 13 SER CB C 13 65.890 65.890 66.120 -0.230 19906 2419 1 7 . 1 1 13 13 SER H H 13 9.020 9.020 8.086 0.934 19906 2420 1 7 . 1 1 14 14 PHE N N 14 119.920 119.920 119.315 0.605 19906 2421 1 7 . 1 1 14 14 PHE HA H 14 5.510 5.510 5.342 0.168 19906 2422 1 7 . 1 1 14 14 PHE CA C 14 56.760 56.760 56.327 0.433 19906 2423 1 7 . 1 1 14 14 PHE CB C 14 39.930 39.930 42.063 -2.133 19906 2424 1 7 . 1 1 14 14 PHE H H 14 8.370 8.370 8.616 -0.246 19906 2425 1 7 . 1 1 15 15 VAL N N 15 117.820 117.820 114.991 2.829 19906 2426 1 7 . 1 1 15 15 VAL HA H 15 4.680 4.680 4.535 0.145 19906 2427 1 7 . 1 1 15 15 VAL CA C 15 58.880 58.880 60.664 -1.784 19906 2428 1 7 . 1 1 15 15 VAL CB C 15 36.900 36.900 35.873 1.027 19906 2429 1 7 . 1 1 15 15 VAL H H 15 9.100 9.100 8.643 0.457 19906 2430 1 7 . 1 1 16 16 ASP N N 16 116.850 116.850 120.702 -3.852 19906 2431 1 7 . 1 1 16 16 ASP HA H 16 4.190 4.190 4.293 -0.103 19906 2432 1 7 . 1 1 16 16 ASP CA C 16 54.550 54.550 55.143 -0.593 19906 2433 1 7 . 1 1 16 16 ASP CB C 16 38.920 38.920 40.305 -1.385 19906 2434 1 7 . 1 1 16 16 ASP H H 16 8.520 8.520 8.791 -0.271 19906 2435 1 7 . 1 1 17 17 ILE N N 17 118.600 118.600 119.726 -1.126 19906 2436 1 7 . 1 1 17 17 ILE HA H 17 4.150 4.150 3.946 0.204 19906 2437 1 7 . 1 1 17 17 ILE CA C 17 63.190 63.190 62.719 0.471 19906 2438 1 7 . 1 1 17 17 ILE CB C 17 37.770 37.770 38.459 -0.689 19906 2439 1 7 . 1 1 17 17 ILE H H 17 8.150 8.150 7.987 0.163 19906 2440 1 7 . 1 1 18 18 THR N N 18 122.160 122.160 121.646 0.514 19906 2441 1 7 . 1 1 18 18 THR HA H 18 4.910 4.910 4.561 0.349 19906 2442 1 7 . 1 1 18 18 THR CA C 18 60.570 60.570 60.638 -0.068 19906 2443 1 7 . 1 1 18 18 THR CB C 18 70.600 70.600 70.554 0.046 19906 2444 1 7 . 1 1 18 18 THR H H 18 8.740 8.740 8.239 0.501 19906 2445 1 7 . 1 1 19 19 ASP N N 19 115.600 115.600 122.447 -6.847 19906 2446 1 7 . 1 1 19 19 ASP HA H 19 4.480 4.480 4.526 -0.046 19906 2447 1 7 . 1 1 19 19 ASP CA C 19 54.880 54.880 55.945 -1.065 19906 2448 1 7 . 1 1 19 19 ASP CB C 19 40.430 40.430 40.139 0.291 19906 2449 1 7 . 1 1 19 19 ASP H H 19 8.450 8.450 8.557 -0.107 19906 2450 1 7 . 1 1 20 20 SER N N 20 108.500 108.500 113.789 -5.289 19906 2451 1 7 . 1 1 20 20 SER HA H 20 4.620 4.620 4.645 -0.025 19906 2452 1 7 . 1 1 20 20 SER CA C 20 57.660 57.660 58.162 -0.502 19906 2453 1 7 . 1 1 20 20 SER CB C 20 66.090 66.090 64.312 1.778 19906 2454 1 7 . 1 1 20 20 SER H H 20 8.120 8.120 7.967 0.153 19906 2455 1 7 . 1 1 21 21 SER N N 21 116.590 116.590 115.792 0.798 19906 2456 1 7 . 1 1 21 21 SER HA H 21 5.230 5.230 5.159 0.071 19906 2457 1 7 . 1 1 21 21 SER CA C 21 56.730 56.730 57.777 -1.047 19906 2458 1 7 . 1 1 21 21 SER CB C 21 66.730 66.730 66.010 0.721 19906 2459 1 7 . 1 1 21 21 SER H H 21 7.530 7.530 7.640 -0.110 19906 2460 1 7 . 1 1 22 22 ILE N N 22 113.850 113.850 117.609 -3.759 19906 2461 1 7 . 1 1 22 22 ILE HA H 22 4.490 4.490 4.749 -0.259 19906 2462 1 7 . 1 1 22 22 ILE CA C 22 60.320 60.320 58.922 1.398 19906 2463 1 7 . 1 1 22 22 ILE CB C 22 42.650 42.650 42.030 0.620 19906 2464 1 7 . 1 1 22 22 ILE H H 22 8.210 8.210 7.989 0.221 19906 2465 1 7 . 1 1 23 23 GLY N N 23 112.950 112.950 112.750 0.200 19906 2466 1 7 . 1 1 23 23 GLY CA C 23 44.110 44.110 43.837 0.272 19906 2467 1 7 . 1 1 23 23 GLY H H 23 8.300 8.300 8.476 -0.176 19906 2468 1 7 . 1 1 24 24 LEU N N 24 123.740 123.740 126.937 -3.197 19906 2469 1 7 . 1 1 24 24 LEU HA H 24 4.820 4.820 4.352 0.468 19906 2470 1 7 . 1 1 24 24 LEU CA C 24 53.930 53.930 55.322 -1.392 19906 2471 1 7 . 1 1 24 24 LEU CB C 24 42.470 42.470 41.834 0.636 19906 2472 1 7 . 1 1 24 24 LEU H H 24 8.820 8.820 7.980 0.840 19906 2473 1 7 . 1 1 25 25 ARG N N 25 119.980 119.980 125.148 -5.168 19906 2474 1 7 . 1 1 25 25 ARG HA H 25 4.890 4.890 4.552 0.338 19906 2475 1 7 . 1 1 25 25 ARG CA C 25 54.040 54.040 55.240 -1.200 19906 2476 1 7 . 1 1 25 25 ARG CB C 25 33.850 33.850 34.231 -0.382 19906 2477 1 7 . 1 1 25 25 ARG H H 25 8.570 8.570 8.306 0.264 19906 2478 1 7 . 1 1 26 26 TRP N N 26 122.480 122.480 125.051 -2.571 19906 2479 1 7 . 1 1 26 26 TRP HA H 26 4.840 4.840 5.055 -0.215 19906 2480 1 7 . 1 1 26 26 TRP CA C 26 56.790 56.790 55.822 0.969 19906 2481 1 7 . 1 1 26 26 TRP CB C 26 31.460 31.460 30.800 0.660 19906 2482 1 7 . 1 1 26 26 TRP H H 26 7.960 7.960 7.462 0.498 19906 2483 1 7 . 1 1 27 27 THR N N 27 119.820 119.820 122.274 -2.454 19906 2484 1 7 . 1 1 27 27 THR HA H 27 4.750 4.750 4.347 0.403 19906 2485 1 7 . 1 1 27 27 THR CA C 27 60.690 60.690 61.934 -1.244 19906 2486 1 7 . 1 1 27 27 THR CB C 27 68.460 68.460 68.488 -0.028 19906 2487 1 7 . 1 1 27 27 THR H H 27 9.780 9.780 8.647 1.133 19906 2488 1 7 . 1 1 28 28 PRO HA H 28 4.470 4.470 4.477 -0.007 19906 2489 1 7 . 1 1 28 28 PRO CA C 28 63.260 63.260 63.211 0.049 19906 2490 1 7 . 1 1 28 28 PRO CB C 28 31.980 31.980 32.177 -0.197 19906 2491 1 7 . 1 1 29 29 LEU N N 29 124.220 124.220 121.208 3.012 19906 2492 1 7 . 1 1 29 29 LEU HA H 29 4.490 4.490 4.489 0.001 19906 2493 1 7 . 1 1 29 29 LEU CA C 29 54.150 54.150 54.309 -0.159 19906 2494 1 7 . 1 1 29 29 LEU CB C 29 43.040 43.040 42.793 0.247 19906 2495 1 7 . 1 1 29 29 LEU H H 29 8.570 8.570 8.154 0.416 19906 2496 1 7 . 1 1 30 30 ASN N N 30 119.950 119.950 123.042 -3.092 19906 2497 1 7 . 1 1 30 30 ASN HA H 30 4.700 4.700 4.369 0.331 19906 2498 1 7 . 1 1 30 30 ASN CA C 30 53.570 53.570 55.608 -2.038 19906 2499 1 7 . 1 1 30 30 ASN CB C 30 38.340 38.340 38.425 -0.085 19906 2500 1 7 . 1 1 30 30 ASN H H 30 8.630 8.630 9.132 -0.502 19906 2501 1 7 . 1 1 31 31 SER N N 31 114.290 114.290 113.599 0.691 19906 2502 1 7 . 1 1 31 31 SER HA H 31 4.560 4.560 4.495 0.065 19906 2503 1 7 . 1 1 31 31 SER CA C 31 57.500 57.500 58.940 -1.440 19906 2504 1 7 . 1 1 31 31 SER CB C 31 63.480 63.480 63.591 -0.111 19906 2505 1 7 . 1 1 31 31 SER H H 31 8.090 8.090 8.297 -0.207 19906 2506 1 7 . 1 1 32 32 SER HA H 32 4.560 4.560 4.305 0.255 19906 2507 1 7 . 1 1 32 32 SER CA C 32 58.140 58.140 59.304 -1.164 19906 2508 1 7 . 1 1 32 32 SER CB C 32 63.730 63.730 63.477 0.253 19906 2509 1 7 . 1 1 33 33 THR N N 33 114.160 114.160 119.368 -5.208 19906 2510 1 7 . 1 1 33 33 THR HA H 33 4.300 4.300 4.213 0.087 19906 2511 1 7 . 1 1 33 33 THR CA C 33 63.620 63.620 63.476 0.144 19906 2512 1 7 . 1 1 33 33 THR CB C 33 69.530 69.530 69.514 0.016 19906 2513 1 7 . 1 1 33 33 THR H H 33 8.000 8.000 8.069 -0.069 19906 2514 1 7 . 1 1 34 34 ILE N N 34 121.090 121.090 125.243 -4.153 19906 2515 1 7 . 1 1 34 34 ILE HA H 34 4.300 4.300 4.234 0.066 19906 2516 1 7 . 1 1 34 34 ILE CA C 34 61.920 61.920 60.792 1.128 19906 2517 1 7 . 1 1 34 34 ILE CB C 34 38.080 38.080 35.673 2.406 19906 2518 1 7 . 1 1 34 34 ILE H H 34 7.980 7.980 8.406 -0.426 19906 2519 1 7 . 1 1 35 35 ILE N N 35 126.230 126.230 120.501 5.729 19906 2520 1 7 . 1 1 35 35 ILE HA H 35 4.220 4.220 4.465 -0.245 19906 2521 1 7 . 1 1 35 35 ILE CA C 35 61.720 61.720 60.001 1.719 19906 2522 1 7 . 1 1 35 35 ILE CB C 35 38.790 38.790 41.527 -2.737 19906 2523 1 7 . 1 1 35 35 ILE H H 35 8.810 8.810 7.688 1.122 19906 2524 1 7 . 1 1 36 36 GLY CA C 36 45.520 45.520 45.764 -0.244 19906 2525 1 7 . 1 1 37 37 TYR N N 37 120.400 120.400 121.718 -1.318 19906 2526 1 7 . 1 1 37 37 TYR HA H 37 5.070 5.070 4.898 0.172 19906 2527 1 7 . 1 1 37 37 TYR CA C 37 57.930 57.930 55.107 2.823 19906 2528 1 7 . 1 1 37 37 TYR CB C 37 38.950 38.950 40.220 -1.270 19906 2529 1 7 . 1 1 37 37 TYR H H 37 7.340 7.340 7.432 -0.092 19906 2530 1 7 . 1 1 38 38 ARG HA H 38 5.150 5.150 4.709 0.441 19906 2531 1 7 . 1 1 38 38 ARG CA C 38 54.450 54.450 54.186 0.264 19906 2532 1 7 . 1 1 38 38 ARG CB C 38 31.530 31.530 32.928 -1.398 19906 2533 1 7 . 1 1 39 39 ILE N N 39 129.570 129.570 125.177 4.393 19906 2534 1 7 . 1 1 39 39 ILE HA H 39 5.060 5.060 4.484 0.576 19906 2535 1 7 . 1 1 39 39 ILE CA C 39 60.030 60.030 60.627 -0.597 19906 2536 1 7 . 1 1 39 39 ILE CB C 39 40.780 40.780 38.664 2.115 19906 2537 1 7 . 1 1 39 39 ILE H H 39 9.040 9.040 8.112 0.928 19906 2538 1 7 . 1 1 40 40 THR N N 40 120.430 120.430 123.595 -3.165 19906 2539 1 7 . 1 1 40 40 THR HA H 40 5.210 5.210 4.564 0.646 19906 2540 1 7 . 1 1 40 40 THR CA C 40 61.130 61.130 61.923 -0.793 19906 2541 1 7 . 1 1 40 40 THR CB C 40 71.090 71.090 69.897 1.193 19906 2542 1 7 . 1 1 40 40 THR H H 40 8.880 8.880 8.128 0.752 19906 2543 1 7 . 1 1 41 41 VAL HA H 41 5.030 5.030 4.493 0.537 19906 2544 1 7 . 1 1 41 41 VAL CA C 41 61.280 61.280 59.757 1.523 19906 2545 1 7 . 1 1 41 41 VAL CB C 41 33.800 33.800 33.959 -0.159 19906 2546 1 7 . 1 1 41 41 VAL H H 41 8.820 8.820 8.545 0.275 19906 2547 1 7 . 1 1 42 42 VAL N N 42 127.670 127.670 127.290 0.380 19906 2548 1 7 . 1 1 42 42 VAL HA H 42 4.650 4.650 4.338 0.312 19906 2549 1 7 . 1 1 42 42 VAL CA C 42 60.320 60.320 60.289 0.031 19906 2550 1 7 . 1 1 42 42 VAL CB C 42 35.800 35.800 36.289 -0.489 19906 2551 1 7 . 1 1 42 42 VAL H H 42 9.100 9.100 9.162 -0.062 19906 2552 1 7 . 1 1 43 43 ALA N N 43 131.340 131.340 129.252 2.088 19906 2553 1 7 . 1 1 43 43 ALA HA H 43 4.410 4.410 3.825 0.585 19906 2554 1 7 . 1 1 43 43 ALA CA C 43 52.420 52.420 50.505 1.915 19906 2555 1 7 . 1 1 43 43 ALA CB C 43 18.750 18.750 19.377 -0.627 19906 2556 1 7 . 1 1 43 43 ALA H H 43 9.420 9.420 8.474 0.946 19906 2557 1 7 . 1 1 44 44 ALA N N 44 126.040 126.040 126.987 -0.947 19906 2558 1 7 . 1 1 44 44 ALA HA H 44 4.120 4.120 4.282 -0.162 19906 2559 1 7 . 1 1 44 44 ALA CA C 44 53.790 53.790 53.218 0.573 19906 2560 1 7 . 1 1 44 44 ALA CB C 44 18.680 18.680 19.417 -0.737 19906 2561 1 7 . 1 1 44 44 ALA H H 44 8.260 8.260 8.187 0.073 19906 2562 1 7 . 1 1 45 45 GLY CA C 45 45.620 45.620 45.033 0.586 19906 2563 1 7 . 1 1 45 45 GLY H H 45 8.700 8.700 8.068 0.632 19906 2564 1 7 . 1 1 46 46 GLU N N 46 119.650 119.650 118.373 1.277 19906 2565 1 7 . 1 1 46 46 GLU HA H 46 4.470 4.470 4.466 0.004 19906 2566 1 7 . 1 1 46 46 GLU CA C 46 55.870 55.870 55.240 0.630 19906 2567 1 7 . 1 1 46 46 GLU CB C 46 30.520 30.520 32.173 -1.653 19906 2568 1 7 . 1 1 46 46 GLU H H 46 8.110 8.110 7.203 0.907 19906 2569 1 7 . 1 1 47 47 GLY N N 47 107.160 107.160 109.871 -2.711 19906 2570 1 7 . 1 1 47 47 GLY CA C 47 45.910 45.910 45.919 -0.008 19906 2571 1 7 . 1 1 47 47 GLY H H 47 8.400 8.400 8.674 -0.274 19906 2572 1 7 . 1 1 48 48 ILE N N 48 120.010 120.010 121.365 -1.355 19906 2573 1 7 . 1 1 48 48 ILE HA H 48 4.620 4.620 4.357 0.263 19906 2574 1 7 . 1 1 48 48 ILE CA C 48 58.500 58.500 57.982 0.518 19906 2575 1 7 . 1 1 48 48 ILE CB C 48 39.400 39.400 41.235 -1.835 19906 2576 1 7 . 1 1 48 48 ILE H H 48 7.440 7.440 7.520 -0.080 19906 2577 1 7 . 1 1 49 49 PRO HA H 49 4.530 4.530 4.590 -0.060 19906 2578 1 7 . 1 1 49 49 PRO CA C 49 63.590 63.590 62.140 1.450 19906 2579 1 7 . 1 1 49 49 PRO CB C 49 31.880 31.880 32.221 -0.341 19906 2580 1 7 . 1 1 50 50 ILE N N 50 122.120 122.120 119.444 2.676 19906 2581 1 7 . 1 1 50 50 ILE HA H 50 4.150 4.150 3.982 0.168 19906 2582 1 7 . 1 1 50 50 ILE CA C 50 63.310 63.310 61.366 1.944 19906 2583 1 7 . 1 1 50 50 ILE CB C 50 38.020 38.020 38.881 -0.861 19906 2584 1 7 . 1 1 50 50 ILE H H 50 8.720 8.720 7.963 0.757 19906 2585 1 7 . 1 1 51 51 PHE HA H 51 4.770 4.770 4.529 0.241 19906 2586 1 7 . 1 1 51 51 PHE CA C 51 57.900 57.900 57.877 0.023 19906 2587 1 7 . 1 1 51 51 PHE CB C 51 41.870 41.870 39.566 2.304 19906 2588 1 7 . 1 1 52 52 GLU HA H 52 5.350 5.350 4.279 1.071 19906 2589 1 7 . 1 1 52 52 GLU CA C 52 55.140 55.140 55.471 -0.331 19906 2590 1 7 . 1 1 52 52 GLU CB C 52 32.030 32.030 30.381 1.649 19906 2591 1 7 . 1 1 53 53 ASP N N 53 122.750 122.750 122.379 0.371 19906 2592 1 7 . 1 1 53 53 ASP HA H 53 5.000 5.000 4.877 0.123 19906 2593 1 7 . 1 1 53 53 ASP CA C 53 52.950 52.950 53.254 -0.304 19906 2594 1 7 . 1 1 53 53 ASP CB C 53 44.770 44.770 43.787 0.983 19906 2595 1 7 . 1 1 53 53 ASP H H 53 8.850 8.850 7.980 0.870 19906 2596 1 7 . 1 1 54 54 PHE N N 54 121.100 121.100 119.498 1.602 19906 2597 1 7 . 1 1 54 54 PHE HA H 54 5.380 5.380 4.854 0.526 19906 2598 1 7 . 1 1 54 54 PHE CA C 54 56.180 56.180 57.003 -0.823 19906 2599 1 7 . 1 1 54 54 PHE CB C 54 42.110 42.110 40.734 1.376 19906 2600 1 7 . 1 1 54 54 PHE H H 54 8.770 8.770 8.585 0.185 19906 2601 1 7 . 1 1 55 55 VAL N N 55 125.760 125.760 123.684 2.076 19906 2602 1 7 . 1 1 55 55 VAL HA H 55 4.320 4.320 4.248 0.072 19906 2603 1 7 . 1 1 55 55 VAL CA C 55 59.140 59.140 59.384 -0.244 19906 2604 1 7 . 1 1 55 55 VAL CB C 55 34.940 34.940 35.707 -0.767 19906 2605 1 7 . 1 1 55 55 VAL H H 55 8.290 8.290 7.808 0.482 19906 2606 1 7 . 1 1 56 56 ASP N N 56 127.100 127.100 126.650 0.450 19906 2607 1 7 . 1 1 56 56 ASP HA H 56 4.560 4.560 4.419 0.141 19906 2608 1 7 . 1 1 56 56 ASP CA C 56 54.980 54.980 54.665 0.315 19906 2609 1 7 . 1 1 56 56 ASP CB C 56 42.730 42.730 41.626 1.104 19906 2610 1 7 . 1 1 56 56 ASP H H 56 8.460 8.460 8.451 0.009 19906 2611 1 7 . 1 1 57 57 SER N N 57 119.630 119.630 116.729 2.901 19906 2612 1 7 . 1 1 57 57 SER HA H 57 4.330 4.330 4.383 -0.053 19906 2613 1 7 . 1 1 57 57 SER CA C 57 60.630 60.630 61.582 -0.952 19906 2614 1 7 . 1 1 57 57 SER CB C 57 62.680 62.680 63.457 -0.777 19906 2615 1 7 . 1 1 57 57 SER H H 57 8.260 8.260 8.639 -0.379 19906 2616 1 7 . 1 1 58 58 SER N N 58 117.030 117.030 116.292 0.738 19906 2617 1 7 . 1 1 58 58 SER HA H 58 4.400 4.400 4.187 0.213 19906 2618 1 7 . 1 1 58 58 SER CA C 58 60.430 60.430 61.080 -0.650 19906 2619 1 7 . 1 1 58 58 SER CB C 58 63.700 63.700 62.831 0.869 19906 2620 1 7 . 1 1 58 58 SER H H 58 9.080 9.080 8.278 0.802 19906 2621 1 7 . 1 1 59 59 VAL N N 59 119.350 119.350 118.324 1.026 19906 2622 1 7 . 1 1 59 59 VAL HA H 59 3.790 3.790 3.616 0.174 19906 2623 1 7 . 1 1 59 59 VAL CA C 59 65.670 65.670 64.608 1.062 19906 2624 1 7 . 1 1 59 59 VAL CB C 59 32.400 32.400 31.699 0.701 19906 2625 1 7 . 1 1 59 59 VAL H H 59 7.570 7.570 7.328 0.242 19906 2626 1 7 . 1 1 60 60 GLY N N 60 104.070 104.070 107.278 -3.208 19906 2627 1 7 . 1 1 60 60 GLY CA C 60 44.430 44.430 46.170 -1.740 19906 2628 1 7 . 1 1 60 60 GLY H H 60 6.120 6.120 7.803 -1.683 19906 2629 1 7 . 1 1 61 61 TYR N N 61 117.690 117.690 119.152 -1.462 19906 2630 1 7 . 1 1 61 61 TYR HA H 61 5.030 5.030 5.143 -0.113 19906 2631 1 7 . 1 1 61 61 TYR CA C 61 56.320 56.320 55.070 1.250 19906 2632 1 7 . 1 1 61 61 TYR CB C 61 41.700 41.700 40.535 1.165 19906 2633 1 7 . 1 1 61 61 TYR H H 61 6.080 6.080 7.372 -1.292 19906 2634 1 7 . 1 1 62 62 TYR N N 62 126.650 126.650 120.089 6.561 19906 2635 1 7 . 1 1 62 62 TYR HA H 62 4.440 4.440 4.662 -0.222 19906 2636 1 7 . 1 1 62 62 TYR CA C 62 58.560 58.560 57.753 0.807 19906 2637 1 7 . 1 1 62 62 TYR CB C 62 43.550 43.550 43.167 0.383 19906 2638 1 7 . 1 1 62 62 TYR H H 62 8.440 8.440 8.823 -0.383 19906 2639 1 7 . 1 1 63 63 THR N N 63 122.160 122.160 117.894 4.266 19906 2640 1 7 . 1 1 63 63 THR HA H 63 4.780 4.780 4.599 0.181 19906 2641 1 7 . 1 1 63 63 THR CA C 63 61.610 61.610 60.967 0.643 19906 2642 1 7 . 1 1 63 63 THR CB C 63 69.810 69.810 70.046 -0.236 19906 2643 1 7 . 1 1 63 63 THR H H 63 7.380 7.380 7.071 0.309 19906 2644 1 7 . 1 1 64 64 VAL N N 64 127.940 127.940 124.851 3.089 19906 2645 1 7 . 1 1 64 64 VAL HA H 64 3.660 3.660 4.654 -0.994 19906 2646 1 7 . 1 1 64 64 VAL CA C 64 61.840 61.840 60.784 1.056 19906 2647 1 7 . 1 1 64 64 VAL CB C 64 31.840 31.840 32.742 -0.902 19906 2648 1 7 . 1 1 64 64 VAL H H 64 8.860 8.860 8.214 0.646 19906 2649 1 7 . 1 1 65 65 THR N N 65 116.150 116.150 115.960 0.190 19906 2650 1 7 . 1 1 65 65 THR HA H 65 4.640 4.640 5.184 -0.544 19906 2651 1 7 . 1 1 65 65 THR CA C 65 59.470 59.470 59.233 0.237 19906 2652 1 7 . 1 1 65 65 THR CB C 65 71.160 71.160 71.841 -0.681 19906 2653 1 7 . 1 1 65 65 THR H H 65 7.290 7.290 8.103 -0.813 19906 2654 1 7 . 1 1 66 66 GLY N N 66 105.560 105.560 108.841 -3.281 19906 2655 1 7 . 1 1 66 66 GLY CA C 66 45.860 45.860 44.866 0.994 19906 2656 1 7 . 1 1 66 66 GLY H H 66 8.450 8.450 8.301 0.149 19906 2657 1 7 . 1 1 67 67 LEU N N 67 119.080 119.080 121.571 -2.491 19906 2658 1 7 . 1 1 67 67 LEU HA H 67 4.180 4.180 3.959 0.221 19906 2659 1 7 . 1 1 67 67 LEU CA C 67 53.380 53.380 52.788 0.592 19906 2660 1 7 . 1 1 67 67 LEU CB C 67 41.630 41.630 40.623 1.007 19906 2661 1 7 . 1 1 67 67 LEU H H 67 7.850 7.850 7.356 0.494 19906 2662 1 7 . 1 1 68 68 GLU N N 68 120.030 120.030 122.564 -2.534 19906 2663 1 7 . 1 1 68 68 GLU HA H 68 4.920 4.920 4.251 0.669 19906 2664 1 7 . 1 1 68 68 GLU CA C 68 52.510 52.510 55.541 -3.031 19906 2665 1 7 . 1 1 68 68 GLU CB C 68 31.040 31.040 28.963 2.077 19906 2666 1 7 . 1 1 68 68 GLU H H 68 8.500 8.500 8.052 0.448 19906 2667 1 7 . 1 1 69 69 PRO HA H 69 4.470 4.470 4.443 0.027 19906 2668 1 7 . 1 1 69 69 PRO CA C 69 62.740 62.740 63.231 -0.491 19906 2669 1 7 . 1 1 69 69 PRO CB C 69 31.410 31.410 31.945 -0.535 19906 2670 1 7 . 1 1 70 70 GLY N N 70 106.940 106.940 108.870 -1.930 19906 2671 1 7 . 1 1 70 70 GLY CA C 70 45.830 45.830 45.586 0.244 19906 2672 1 7 . 1 1 70 70 GLY H H 70 8.500 8.500 8.809 -0.309 19906 2673 1 7 . 1 1 71 71 ILE N N 71 120.080 120.080 121.472 -1.392 19906 2674 1 7 . 1 1 71 71 ILE HA H 71 4.080 4.080 4.220 -0.140 19906 2675 1 7 . 1 1 71 71 ILE CA C 71 58.710 58.710 59.954 -1.244 19906 2676 1 7 . 1 1 71 71 ILE CB C 71 40.410 40.410 39.899 0.511 19906 2677 1 7 . 1 1 71 71 ILE H H 71 7.510 7.510 7.481 0.029 19906 2678 1 7 . 1 1 72 72 ASP N N 72 124.920 124.920 127.581 -2.661 19906 2679 1 7 . 1 1 72 72 ASP HA H 72 4.930 4.930 4.623 0.307 19906 2680 1 7 . 1 1 72 72 ASP CA C 72 54.260 54.260 53.794 0.466 19906 2681 1 7 . 1 1 72 72 ASP CB C 72 41.120 41.120 41.678 -0.559 19906 2682 1 7 . 1 1 72 72 ASP H H 72 8.190 8.190 8.531 -0.341 19906 2683 1 7 . 1 1 73 73 TYR N N 73 122.440 122.440 124.466 -2.026 19906 2684 1 7 . 1 1 73 73 TYR HA H 73 5.070 5.070 4.844 0.226 19906 2685 1 7 . 1 1 73 73 TYR CA C 73 57.390 57.390 57.556 -0.166 19906 2686 1 7 . 1 1 73 73 TYR CB C 73 40.550 40.550 41.121 -0.571 19906 2687 1 7 . 1 1 73 73 TYR H H 73 9.310 9.310 8.587 0.723 19906 2688 1 7 . 1 1 74 74 ASP N N 74 122.980 122.980 125.171 -2.191 19906 2689 1 7 . 1 1 74 74 ASP HA H 74 5.220 5.220 4.939 0.281 19906 2690 1 7 . 1 1 74 74 ASP CA C 74 53.900 53.900 53.954 -0.054 19906 2691 1 7 . 1 1 74 74 ASP CB C 74 42.120 42.120 41.419 0.701 19906 2692 1 7 . 1 1 74 74 ASP H H 74 9.290 9.290 9.050 0.240 19906 2693 1 7 . 1 1 75 75 ILE N N 75 124.270 124.270 121.242 3.028 19906 2694 1 7 . 1 1 75 75 ILE HA H 75 5.470 5.470 4.940 0.530 19906 2695 1 7 . 1 1 75 75 ILE CA C 75 58.400 58.400 59.036 -0.636 19906 2696 1 7 . 1 1 75 75 ILE CB C 75 40.900 40.900 38.742 2.158 19906 2697 1 7 . 1 1 75 75 ILE H H 75 8.810 8.810 8.283 0.527 19906 2698 1 7 . 1 1 76 76 SER N N 76 121.300 121.300 122.165 -0.865 19906 2699 1 7 . 1 1 76 76 SER HA H 76 5.800 5.800 4.780 1.020 19906 2700 1 7 . 1 1 76 76 SER CA C 76 56.340 56.340 56.712 -0.372 19906 2701 1 7 . 1 1 76 76 SER CB C 76 66.180 66.180 64.481 1.700 19906 2702 1 7 . 1 1 76 76 SER H H 76 8.760 8.760 8.195 0.565 19906 2703 1 7 . 1 1 77 77 VAL N N 77 124.740 124.740 127.848 -3.108 19906 2704 1 7 . 1 1 77 77 VAL HA H 77 4.760 4.760 4.051 0.709 19906 2705 1 7 . 1 1 77 77 VAL CA C 77 61.190 61.190 61.683 -0.493 19906 2706 1 7 . 1 1 77 77 VAL CB C 77 33.270 33.270 31.728 1.542 19906 2707 1 7 . 1 1 77 77 VAL H H 77 9.420 9.420 8.611 0.809 19906 2708 1 7 . 1 1 78 78 ILE N N 78 126.300 126.300 128.632 -2.332 19906 2709 1 7 . 1 1 78 78 ILE HA H 78 4.710 4.710 4.117 0.593 19906 2710 1 7 . 1 1 78 78 ILE CA C 78 61.160 61.160 61.196 -0.036 19906 2711 1 7 . 1 1 78 78 ILE CB C 78 41.050 41.050 38.711 2.339 19906 2712 1 7 . 1 1 78 78 ILE H H 78 9.370 9.370 7.846 1.524 19906 2713 1 7 . 1 1 79 79 THR N N 79 122.350 122.350 118.400 3.950 19906 2714 1 7 . 1 1 79 79 THR HA H 79 4.280 4.280 4.382 -0.102 19906 2715 1 7 . 1 1 79 79 THR CA C 79 64.260 64.260 60.979 3.281 19906 2716 1 7 . 1 1 79 79 THR CB C 79 69.130 69.130 69.600 -0.470 19906 2717 1 7 . 1 1 79 79 THR H H 79 8.550 8.550 8.222 0.328 19906 2718 1 7 . 1 1 80 80 LEU N N 80 128.900 128.900 129.870 -0.970 19906 2719 1 7 . 1 1 80 80 LEU HA H 80 4.730 4.730 4.660 0.070 19906 2720 1 7 . 1 1 80 80 LEU CA C 80 54.060 54.060 54.615 -0.555 19906 2721 1 7 . 1 1 80 80 LEU CB C 80 41.470 41.470 43.541 -2.071 19906 2722 1 7 . 1 1 80 80 LEU H H 80 8.660 8.660 8.703 -0.043 19906 2723 1 7 . 1 1 81 81 ILE N N 81 121.640 121.640 118.790 2.850 19906 2724 1 7 . 1 1 81 81 ILE HA H 81 4.870 4.870 4.578 0.292 19906 2725 1 7 . 1 1 81 81 ILE CA C 81 59.300 59.300 60.269 -0.969 19906 2726 1 7 . 1 1 81 81 ILE CB C 81 40.510 40.510 41.454 -0.944 19906 2727 1 7 . 1 1 81 81 ILE H H 81 8.350 8.350 7.821 0.529 19906 2728 1 7 . 1 1 82 82 ASN N N 82 123.240 123.240 122.581 0.659 19906 2729 1 7 . 1 1 82 82 ASN HA H 82 4.640 4.640 4.667 -0.027 19906 2730 1 7 . 1 1 82 82 ASN CA C 82 53.450 53.450 54.714 -1.264 19906 2731 1 7 . 1 1 82 82 ASN CB C 82 38.940 38.940 39.059 -0.119 19906 2732 1 7 . 1 1 82 82 ASN H H 82 8.820 8.820 9.022 -0.202 19906 2733 1 7 . 1 1 83 83 GLY N N 83 112.680 112.680 107.509 5.171 19906 2734 1 7 . 1 1 83 83 GLY CA C 83 45.420 45.420 44.638 0.782 19906 2735 1 7 . 1 1 83 83 GLY H H 83 8.630 8.630 8.438 0.192 19906 2736 1 7 . 1 1 84 84 GLY N N 84 108.560 108.560 110.432 -1.872 19906 2737 1 7 . 1 1 84 84 GLY CA C 84 45.190 45.190 45.372 -0.182 19906 2738 1 7 . 1 1 84 84 GLY H H 84 8.280 8.280 8.149 0.131 19906 2739 1 7 . 1 1 85 85 GLU N N 85 120.690 120.690 123.289 -2.599 19906 2740 1 7 . 1 1 85 85 GLU HA H 85 4.320 4.320 4.456 -0.136 19906 2741 1 7 . 1 1 85 85 GLU CA C 85 56.480 56.480 55.761 0.719 19906 2742 1 7 . 1 1 85 85 GLU CB C 85 30.480 30.480 31.127 -0.646 19906 2743 1 7 . 1 1 85 85 GLU H H 85 8.460 8.460 8.390 0.070 19906 2744 1 7 . 1 1 86 86 SER N N 86 116.860 116.860 118.995 -2.135 19906 2745 1 7 . 1 1 86 86 SER HA H 86 4.430 4.430 4.426 0.004 19906 2746 1 7 . 1 1 86 86 SER CA C 86 57.920 57.920 58.581 -0.661 19906 2747 1 7 . 1 1 86 86 SER CB C 86 63.720 63.720 63.792 -0.072 19906 2748 1 7 . 1 1 86 86 SER H H 86 8.350 8.350 8.471 -0.121 19906 2749 1 7 . 1 1 87 87 ALA N N 87 126.890 126.890 127.010 -0.120 19906 2750 1 7 . 1 1 87 87 ALA HA H 87 4.580 4.580 4.920 -0.340 19906 2751 1 7 . 1 1 87 87 ALA CA C 87 50.450 50.450 50.468 -0.017 19906 2752 1 7 . 1 1 87 87 ALA CB C 87 18.110 18.110 19.319 -1.209 19906 2753 1 7 . 1 1 87 87 ALA H H 87 8.240 8.240 8.501 -0.261 19906 2754 1 7 . 1 1 88 88 PRO HA H 88 4.470 4.470 4.619 -0.149 19906 2755 1 7 . 1 1 88 88 PRO CA C 88 62.960 62.960 62.820 0.140 19906 2756 1 7 . 1 1 88 88 PRO CB C 88 31.460 31.460 32.243 -0.783 19906 2757 1 7 . 1 1 89 89 THR N N 89 114.280 114.280 111.745 2.535 19906 2758 1 7 . 1 1 89 89 THR HA H 89 4.340 4.340 4.623 -0.283 19906 2759 1 7 . 1 1 89 89 THR CA C 89 62.320 62.320 61.568 0.752 19906 2760 1 7 . 1 1 89 89 THR CB C 89 69.530 69.530 70.556 -1.026 19906 2761 1 7 . 1 1 89 89 THR H H 89 8.270 8.270 8.197 0.073 19906 2762 1 7 . 1 1 90 90 THR N N 90 116.290 116.290 114.280 2.010 19906 2763 1 7 . 1 1 90 90 THR HA H 90 4.330 4.330 4.472 -0.142 19906 2764 1 7 . 1 1 90 90 THR CA C 90 61.890 61.890 60.979 0.911 19906 2765 1 7 . 1 1 90 90 THR CB C 90 69.500 69.500 69.808 -0.308 19906 2766 1 7 . 1 1 90 90 THR H H 90 8.090 8.090 8.212 -0.122 19906 2767 1 7 . 1 1 91 91 LEU N N 91 124.660 124.660 123.194 1.466 19906 2768 1 7 . 1 1 91 91 LEU HA H 91 4.410 4.410 4.454 -0.044 19906 2769 1 7 . 1 1 91 91 LEU CA C 91 55.590 55.590 54.882 0.708 19906 2770 1 7 . 1 1 91 91 LEU CB C 91 41.600 41.600 42.344 -0.744 19906 2771 1 7 . 1 1 91 91 LEU H H 91 8.290 8.290 8.362 -0.072 19906 2772 1 7 . 1 1 92 92 THR N N 92 115.030 115.030 114.755 0.275 19906 2773 1 7 . 1 1 92 92 THR HA H 92 4.300 4.300 4.263 0.037 19906 2774 1 7 . 1 1 92 92 THR CA C 92 61.890 61.890 61.882 0.008 19906 2775 1 7 . 1 1 92 92 THR CB C 92 69.500 69.500 69.406 0.094 19906 2776 1 7 . 1 1 92 92 THR H H 92 8.100 8.100 8.162 -0.062 19906 2777 1 7 . 1 1 93 93 GLN N N 93 123.200 123.200 123.534 -0.334 19906 2778 1 7 . 1 1 93 93 GLN HA H 93 4.350 4.350 4.387 -0.037 19906 2779 1 7 . 1 1 93 93 GLN CA C 93 55.720 55.720 55.592 0.129 19906 2780 1 7 . 1 1 93 93 GLN CB C 93 29.050 29.050 29.298 -0.248 19906 2781 1 7 . 1 1 93 93 GLN H H 93 8.380 8.380 8.462 -0.082 19906 2782 1 7 . 1 1 94 94 GLN N N 94 122.720 122.720 123.468 -0.748 19906 2783 1 7 . 1 1 94 94 GLN HA H 94 4.400 4.400 4.322 0.078 19906 2784 1 7 . 1 1 94 94 GLN CA C 94 55.780 55.780 55.514 0.266 19906 2785 1 7 . 1 1 94 94 GLN CB C 94 29.100 29.100 28.918 0.182 19906 2786 1 7 . 1 1 94 94 GLN H H 94 8.480 8.480 8.241 0.239 19906 2787 1 8 . 1 1 4 4 SER HA H 4 4.400 4.400 4.556 -0.157 19906 2788 1 8 . 1 1 4 4 SER CA C 4 58.290 58.290 58.442 -0.152 19906 2789 1 8 . 1 1 4 4 SER CB C 4 63.790 63.790 64.994 -1.204 19906 2790 1 8 . 1 1 5 5 GLU N N 5 121.960 121.960 122.564 -0.604 19906 2791 1 8 . 1 1 5 5 GLU HA H 5 4.410 4.410 4.646 -0.236 19906 2792 1 8 . 1 1 5 5 GLU CA C 5 55.610 55.610 56.536 -0.926 19906 2793 1 8 . 1 1 5 5 GLU CB C 5 31.950 31.950 31.152 0.798 19906 2794 1 8 . 1 1 5 5 GLU H H 5 8.450 8.450 8.218 0.232 19906 2795 1 8 . 1 1 6 6 VAL N N 6 122.170 122.170 125.902 -3.732 19906 2796 1 8 . 1 1 6 6 VAL HA H 6 4.070 4.070 4.490 -0.420 19906 2797 1 8 . 1 1 6 6 VAL CA C 6 56.380 56.380 60.116 -3.736 19906 2798 1 8 . 1 1 6 6 VAL CB C 6 29.500 29.500 32.755 -3.255 19906 2799 1 8 . 1 1 6 6 VAL H H 6 8.260 8.260 8.400 -0.140 19906 2800 1 8 . 1 1 9 9 LEU N N 9 123.830 123.830 122.301 1.529 19906 2801 1 8 . 1 1 9 9 LEU HA H 9 4.490 4.490 4.638 -0.148 19906 2802 1 8 . 1 1 9 9 LEU CA C 9 54.820 54.820 54.282 0.538 19906 2803 1 8 . 1 1 9 9 LEU CB C 9 41.930 41.930 42.641 -0.711 19906 2804 1 8 . 1 1 9 9 LEU H H 9 7.770 7.770 7.724 0.046 19906 2805 1 8 . 1 1 11 11 ASP HA H 11 4.730 4.730 4.685 0.045 19906 2806 1 8 . 1 1 11 11 ASP CA C 11 53.060 53.060 53.120 -0.059 19906 2807 1 8 . 1 1 11 11 ASP CB C 11 38.110 38.110 42.187 -4.077 19906 2808 1 8 . 1 1 12 12 LEU N N 12 122.730 122.730 122.261 0.469 19906 2809 1 8 . 1 1 12 12 LEU HA H 12 4.660 4.660 4.303 0.357 19906 2810 1 8 . 1 1 12 12 LEU CA C 12 55.130 55.130 55.680 -0.550 19906 2811 1 8 . 1 1 12 12 LEU CB C 12 43.390 43.390 42.832 0.558 19906 2812 1 8 . 1 1 12 12 LEU H H 12 7.420 7.420 8.447 -1.027 19906 2813 1 8 . 1 1 13 13 SER N N 13 120.760 120.760 119.436 1.324 19906 2814 1 8 . 1 1 13 13 SER HA H 13 4.270 4.270 4.771 -0.501 19906 2815 1 8 . 1 1 13 13 SER CA C 13 56.880 56.880 57.148 -0.268 19906 2816 1 8 . 1 1 13 13 SER CB C 13 65.890 65.890 65.984 -0.094 19906 2817 1 8 . 1 1 13 13 SER H H 13 9.020 9.020 8.200 0.820 19906 2818 1 8 . 1 1 14 14 PHE N N 14 119.920 119.920 119.900 0.020 19906 2819 1 8 . 1 1 14 14 PHE HA H 14 5.510 5.510 4.925 0.585 19906 2820 1 8 . 1 1 14 14 PHE CA C 14 56.760 56.760 56.680 0.080 19906 2821 1 8 . 1 1 14 14 PHE CB C 14 39.930 39.930 41.261 -1.331 19906 2822 1 8 . 1 1 14 14 PHE H H 14 8.370 8.370 8.778 -0.408 19906 2823 1 8 . 1 1 15 15 VAL N N 15 117.820 117.820 117.376 0.444 19906 2824 1 8 . 1 1 15 15 VAL HA H 15 4.680 4.680 4.580 0.100 19906 2825 1 8 . 1 1 15 15 VAL CA C 15 58.880 58.880 60.329 -1.449 19906 2826 1 8 . 1 1 15 15 VAL CB C 15 36.900 36.900 35.581 1.319 19906 2827 1 8 . 1 1 15 15 VAL H H 15 9.100 9.100 8.472 0.628 19906 2828 1 8 . 1 1 16 16 ASP N N 16 116.850 116.850 118.699 -1.849 19906 2829 1 8 . 1 1 16 16 ASP HA H 16 4.190 4.190 4.280 -0.090 19906 2830 1 8 . 1 1 16 16 ASP CA C 16 54.550 54.550 55.568 -1.018 19906 2831 1 8 . 1 1 16 16 ASP CB C 16 38.920 38.920 39.615 -0.695 19906 2832 1 8 . 1 1 16 16 ASP H H 16 8.520 8.520 8.828 -0.308 19906 2833 1 8 . 1 1 17 17 ILE N N 17 118.600 118.600 118.919 -0.319 19906 2834 1 8 . 1 1 17 17 ILE HA H 17 4.150 4.150 3.907 0.243 19906 2835 1 8 . 1 1 17 17 ILE CA C 17 63.190 63.190 63.156 0.034 19906 2836 1 8 . 1 1 17 17 ILE CB C 17 37.770 37.770 38.482 -0.712 19906 2837 1 8 . 1 1 17 17 ILE H H 17 8.150 8.150 7.959 0.191 19906 2838 1 8 . 1 1 18 18 THR N N 18 122.160 122.160 121.406 0.754 19906 2839 1 8 . 1 1 18 18 THR HA H 18 4.910 4.910 4.587 0.323 19906 2840 1 8 . 1 1 18 18 THR CA C 18 60.570 60.570 61.563 -0.993 19906 2841 1 8 . 1 1 18 18 THR CB C 18 70.600 70.600 70.261 0.339 19906 2842 1 8 . 1 1 18 18 THR H H 18 8.740 8.740 7.854 0.886 19906 2843 1 8 . 1 1 19 19 ASP N N 19 115.600 115.600 120.362 -4.762 19906 2844 1 8 . 1 1 19 19 ASP HA H 19 4.480 4.480 4.620 -0.140 19906 2845 1 8 . 1 1 19 19 ASP CA C 19 54.880 54.880 55.680 -0.800 19906 2846 1 8 . 1 1 19 19 ASP CB C 19 40.430 40.430 40.736 -0.306 19906 2847 1 8 . 1 1 19 19 ASP H H 19 8.450 8.450 8.357 0.093 19906 2848 1 8 . 1 1 20 20 SER N N 20 108.500 108.500 113.425 -4.925 19906 2849 1 8 . 1 1 20 20 SER HA H 20 4.620 4.620 4.740 -0.120 19906 2850 1 8 . 1 1 20 20 SER CA C 20 57.660 57.660 58.119 -0.459 19906 2851 1 8 . 1 1 20 20 SER CB C 20 66.090 66.090 63.633 2.457 19906 2852 1 8 . 1 1 20 20 SER H H 20 8.120 8.120 7.953 0.167 19906 2853 1 8 . 1 1 21 21 SER N N 21 116.590 116.590 115.822 0.768 19906 2854 1 8 . 1 1 21 21 SER HA H 21 5.230 5.230 5.190 0.040 19906 2855 1 8 . 1 1 21 21 SER CA C 21 56.730 56.730 57.751 -1.021 19906 2856 1 8 . 1 1 21 21 SER CB C 21 66.730 66.730 66.769 -0.039 19906 2857 1 8 . 1 1 21 21 SER H H 21 7.530 7.530 7.597 -0.067 19906 2858 1 8 . 1 1 22 22 ILE N N 22 113.850 113.850 115.486 -1.636 19906 2859 1 8 . 1 1 22 22 ILE HA H 22 4.490 4.490 4.889 -0.399 19906 2860 1 8 . 1 1 22 22 ILE CA C 22 60.320 60.320 59.311 1.009 19906 2861 1 8 . 1 1 22 22 ILE CB C 22 42.650 42.650 42.270 0.380 19906 2862 1 8 . 1 1 22 22 ILE H H 22 8.210 8.210 7.893 0.317 19906 2863 1 8 . 1 1 23 23 GLY N N 23 112.950 112.950 111.507 1.443 19906 2864 1 8 . 1 1 23 23 GLY CA C 23 44.110 44.110 43.971 0.139 19906 2865 1 8 . 1 1 23 23 GLY H H 23 8.300 8.300 8.500 -0.200 19906 2866 1 8 . 1 1 24 24 LEU N N 24 123.740 123.740 125.779 -2.039 19906 2867 1 8 . 1 1 24 24 LEU HA H 24 4.820 4.820 4.187 0.633 19906 2868 1 8 . 1 1 24 24 LEU CA C 24 53.930 53.930 55.150 -1.220 19906 2869 1 8 . 1 1 24 24 LEU CB C 24 42.470 42.470 42.192 0.278 19906 2870 1 8 . 1 1 24 24 LEU H H 24 8.820 8.820 7.681 1.139 19906 2871 1 8 . 1 1 25 25 ARG N N 25 119.980 119.980 124.319 -4.339 19906 2872 1 8 . 1 1 25 25 ARG HA H 25 4.890 4.890 4.428 0.462 19906 2873 1 8 . 1 1 25 25 ARG CA C 25 54.040 54.040 54.874 -0.834 19906 2874 1 8 . 1 1 25 25 ARG CB C 25 33.850 33.850 34.348 -0.498 19906 2875 1 8 . 1 1 25 25 ARG H H 25 8.570 8.570 7.860 0.710 19906 2876 1 8 . 1 1 26 26 TRP N N 26 122.480 122.480 124.089 -1.609 19906 2877 1 8 . 1 1 26 26 TRP HA H 26 4.840 4.840 5.045 -0.205 19906 2878 1 8 . 1 1 26 26 TRP CA C 26 56.790 56.790 56.145 0.645 19906 2879 1 8 . 1 1 26 26 TRP CB C 26 31.460 31.460 31.151 0.309 19906 2880 1 8 . 1 1 26 26 TRP H H 26 7.960 7.960 7.758 0.202 19906 2881 1 8 . 1 1 27 27 THR N N 27 119.820 119.820 117.278 2.542 19906 2882 1 8 . 1 1 27 27 THR HA H 27 4.750 4.750 4.728 0.022 19906 2883 1 8 . 1 1 27 27 THR CA C 27 60.690 60.690 59.349 1.341 19906 2884 1 8 . 1 1 27 27 THR CB C 27 68.460 68.460 68.937 -0.477 19906 2885 1 8 . 1 1 27 27 THR H H 27 9.780 9.780 8.244 1.536 19906 2886 1 8 . 1 1 28 28 PRO HA H 28 4.470 4.470 4.426 0.044 19906 2887 1 8 . 1 1 28 28 PRO CA C 28 63.260 63.260 63.342 -0.082 19906 2888 1 8 . 1 1 28 28 PRO CB C 28 31.980 31.980 32.242 -0.262 19906 2889 1 8 . 1 1 29 29 LEU N N 29 124.220 124.220 122.816 1.404 19906 2890 1 8 . 1 1 29 29 LEU HA H 29 4.490 4.490 4.406 0.084 19906 2891 1 8 . 1 1 29 29 LEU CA C 29 54.150 54.150 54.932 -0.782 19906 2892 1 8 . 1 1 29 29 LEU CB C 29 43.040 43.040 42.167 0.873 19906 2893 1 8 . 1 1 29 29 LEU H H 29 8.570 8.570 8.312 0.258 19906 2894 1 8 . 1 1 30 30 ASN N N 30 119.950 119.950 120.939 -0.989 19906 2895 1 8 . 1 1 30 30 ASN HA H 30 4.700 4.700 4.430 0.270 19906 2896 1 8 . 1 1 30 30 ASN CA C 30 53.570 53.570 55.413 -1.843 19906 2897 1 8 . 1 1 30 30 ASN CB C 30 38.340 38.340 38.351 -0.011 19906 2898 1 8 . 1 1 30 30 ASN H H 30 8.630 8.630 8.924 -0.294 19906 2899 1 8 . 1 1 31 31 SER N N 31 114.290 114.290 113.559 0.731 19906 2900 1 8 . 1 1 31 31 SER HA H 31 4.560 4.560 4.374 0.186 19906 2901 1 8 . 1 1 31 31 SER CA C 31 57.500 57.500 60.663 -3.163 19906 2902 1 8 . 1 1 31 31 SER CB C 31 63.480 63.480 63.490 -0.010 19906 2903 1 8 . 1 1 31 31 SER H H 31 8.090 8.090 8.401 -0.311 19906 2904 1 8 . 1 1 32 32 SER HA H 32 4.560 4.560 4.507 0.053 19906 2905 1 8 . 1 1 32 32 SER CA C 32 58.140 58.140 58.972 -0.832 19906 2906 1 8 . 1 1 32 32 SER CB C 32 63.730 63.730 64.075 -0.345 19906 2907 1 8 . 1 1 33 33 THR N N 33 114.160 114.160 118.783 -4.623 19906 2908 1 8 . 1 1 33 33 THR HA H 33 4.300 4.300 4.215 0.085 19906 2909 1 8 . 1 1 33 33 THR CA C 33 63.620 63.620 62.793 0.827 19906 2910 1 8 . 1 1 33 33 THR CB C 33 69.530 69.530 69.396 0.134 19906 2911 1 8 . 1 1 33 33 THR H H 33 8.000 8.000 8.216 -0.216 19906 2912 1 8 . 1 1 34 34 ILE N N 34 121.090 121.090 125.198 -4.108 19906 2913 1 8 . 1 1 34 34 ILE HA H 34 4.300 4.300 4.154 0.146 19906 2914 1 8 . 1 1 34 34 ILE CA C 34 61.920 61.920 59.861 2.059 19906 2915 1 8 . 1 1 34 34 ILE CB C 34 38.080 38.080 35.812 2.268 19906 2916 1 8 . 1 1 34 34 ILE H H 34 7.980 7.980 8.481 -0.501 19906 2917 1 8 . 1 1 35 35 ILE N N 35 126.230 126.230 121.107 5.123 19906 2918 1 8 . 1 1 35 35 ILE HA H 35 4.220 4.220 4.347 -0.127 19906 2919 1 8 . 1 1 35 35 ILE CA C 35 61.720 61.720 59.228 2.492 19906 2920 1 8 . 1 1 35 35 ILE CB C 35 38.790 38.790 41.597 -2.807 19906 2921 1 8 . 1 1 35 35 ILE H H 35 8.810 8.810 7.285 1.525 19906 2922 1 8 . 1 1 36 36 GLY CA C 36 45.520 45.520 45.710 -0.190 19906 2923 1 8 . 1 1 37 37 TYR N N 37 120.400 120.400 124.996 -4.596 19906 2924 1 8 . 1 1 37 37 TYR HA H 37 5.070 5.070 4.559 0.511 19906 2925 1 8 . 1 1 37 37 TYR CA C 37 57.930 57.930 57.849 0.081 19906 2926 1 8 . 1 1 37 37 TYR CB C 37 38.950 38.950 40.766 -1.816 19906 2927 1 8 . 1 1 37 37 TYR H H 37 7.340 7.340 8.256 -0.916 19906 2928 1 8 . 1 1 38 38 ARG HA H 38 5.150 5.150 4.934 0.216 19906 2929 1 8 . 1 1 38 38 ARG CA C 38 54.450 54.450 54.460 -0.010 19906 2930 1 8 . 1 1 38 38 ARG CB C 38 31.530 31.530 33.240 -1.710 19906 2931 1 8 . 1 1 39 39 ILE N N 39 129.570 129.570 124.217 5.353 19906 2932 1 8 . 1 1 39 39 ILE HA H 39 5.060 5.060 4.497 0.563 19906 2933 1 8 . 1 1 39 39 ILE CA C 39 60.030 60.030 60.057 -0.027 19906 2934 1 8 . 1 1 39 39 ILE CB C 39 40.780 40.780 38.590 2.190 19906 2935 1 8 . 1 1 39 39 ILE H H 39 9.040 9.040 8.154 0.886 19906 2936 1 8 . 1 1 40 40 THR N N 40 120.430 120.430 123.086 -2.656 19906 2937 1 8 . 1 1 40 40 THR HA H 40 5.210 5.210 4.542 0.668 19906 2938 1 8 . 1 1 40 40 THR CA C 40 61.130 61.130 61.910 -0.780 19906 2939 1 8 . 1 1 40 40 THR CB C 40 71.090 71.090 70.252 0.837 19906 2940 1 8 . 1 1 40 40 THR H H 40 8.880 8.880 7.967 0.913 19906 2941 1 8 . 1 1 41 41 VAL HA H 41 5.030 5.030 4.534 0.496 19906 2942 1 8 . 1 1 41 41 VAL CA C 41 61.280 61.280 60.146 1.134 19906 2943 1 8 . 1 1 41 41 VAL CB C 41 33.800 33.800 34.420 -0.620 19906 2944 1 8 . 1 1 41 41 VAL H H 41 8.820 8.820 8.559 0.261 19906 2945 1 8 . 1 1 42 42 VAL N N 42 127.670 127.670 126.306 1.364 19906 2946 1 8 . 1 1 42 42 VAL HA H 42 4.650 4.650 4.353 0.297 19906 2947 1 8 . 1 1 42 42 VAL CA C 42 60.320 60.320 60.290 0.030 19906 2948 1 8 . 1 1 42 42 VAL CB C 42 35.800 35.800 36.371 -0.571 19906 2949 1 8 . 1 1 42 42 VAL H H 42 9.100 9.100 9.190 -0.090 19906 2950 1 8 . 1 1 43 43 ALA N N 43 131.340 131.340 128.282 3.058 19906 2951 1 8 . 1 1 43 43 ALA HA H 43 4.410 4.410 4.135 0.275 19906 2952 1 8 . 1 1 43 43 ALA CA C 43 52.420 52.420 50.951 1.469 19906 2953 1 8 . 1 1 43 43 ALA CB C 43 18.750 18.750 20.157 -1.407 19906 2954 1 8 . 1 1 43 43 ALA H H 43 9.420 9.420 8.477 0.943 19906 2955 1 8 . 1 1 44 44 ALA N N 44 126.040 126.040 125.220 0.820 19906 2956 1 8 . 1 1 44 44 ALA HA H 44 4.120 4.120 4.256 -0.136 19906 2957 1 8 . 1 1 44 44 ALA CA C 44 53.790 53.790 53.476 0.314 19906 2958 1 8 . 1 1 44 44 ALA CB C 44 18.680 18.680 19.784 -1.104 19906 2959 1 8 . 1 1 44 44 ALA H H 44 8.260 8.260 7.797 0.463 19906 2960 1 8 . 1 1 45 45 GLY CA C 45 45.620 45.620 45.396 0.224 19906 2961 1 8 . 1 1 45 45 GLY H H 45 8.700 8.700 8.112 0.588 19906 2962 1 8 . 1 1 46 46 GLU N N 46 119.650 119.650 119.715 -0.065 19906 2963 1 8 . 1 1 46 46 GLU HA H 46 4.470 4.470 4.400 0.070 19906 2964 1 8 . 1 1 46 46 GLU CA C 46 55.870 55.870 55.237 0.632 19906 2965 1 8 . 1 1 46 46 GLU CB C 46 30.520 30.520 30.087 0.433 19906 2966 1 8 . 1 1 46 46 GLU H H 46 8.110 8.110 7.511 0.599 19906 2967 1 8 . 1 1 47 47 GLY N N 47 107.160 107.160 111.760 -4.600 19906 2968 1 8 . 1 1 47 47 GLY CA C 47 45.910 45.910 45.961 -0.051 19906 2969 1 8 . 1 1 47 47 GLY H H 47 8.400 8.400 8.659 -0.259 19906 2970 1 8 . 1 1 48 48 ILE N N 48 120.010 120.010 121.989 -1.979 19906 2971 1 8 . 1 1 48 48 ILE HA H 48 4.620 4.620 4.290 0.330 19906 2972 1 8 . 1 1 48 48 ILE CA C 48 58.500 58.500 58.311 0.189 19906 2973 1 8 . 1 1 48 48 ILE CB C 48 39.400 39.400 39.603 -0.203 19906 2974 1 8 . 1 1 48 48 ILE H H 48 7.440 7.440 7.387 0.053 19906 2975 1 8 . 1 1 49 49 PRO HA H 49 4.530 4.530 4.564 -0.034 19906 2976 1 8 . 1 1 49 49 PRO CA C 49 63.590 63.590 61.848 1.742 19906 2977 1 8 . 1 1 49 49 PRO CB C 49 31.880 31.880 32.324 -0.444 19906 2978 1 8 . 1 1 50 50 ILE N N 50 122.120 122.120 120.145 1.975 19906 2979 1 8 . 1 1 50 50 ILE HA H 50 4.150 4.150 3.928 0.222 19906 2980 1 8 . 1 1 50 50 ILE CA C 50 63.310 63.310 61.012 2.298 19906 2981 1 8 . 1 1 50 50 ILE CB C 50 38.020 38.020 38.480 -0.460 19906 2982 1 8 . 1 1 50 50 ILE H H 50 8.720 8.720 7.955 0.765 19906 2983 1 8 . 1 1 51 51 PHE HA H 51 4.770 4.770 4.386 0.384 19906 2984 1 8 . 1 1 51 51 PHE CA C 51 57.900 57.900 58.459 -0.559 19906 2985 1 8 . 1 1 51 51 PHE CB C 51 41.870 41.870 39.213 2.657 19906 2986 1 8 . 1 1 52 52 GLU HA H 52 5.350 5.350 4.194 1.156 19906 2987 1 8 . 1 1 52 52 GLU CA C 52 55.140 55.140 56.070 -0.930 19906 2988 1 8 . 1 1 52 52 GLU CB C 52 32.030 32.030 31.101 0.929 19906 2989 1 8 . 1 1 53 53 ASP N N 53 122.750 122.750 118.425 4.325 19906 2990 1 8 . 1 1 53 53 ASP HA H 53 5.000 5.000 4.701 0.299 19906 2991 1 8 . 1 1 53 53 ASP CA C 53 52.950 52.950 53.156 -0.206 19906 2992 1 8 . 1 1 53 53 ASP CB C 53 44.770 44.770 44.380 0.390 19906 2993 1 8 . 1 1 53 53 ASP H H 53 8.850 8.850 7.573 1.277 19906 2994 1 8 . 1 1 54 54 PHE N N 54 121.100 121.100 118.738 2.362 19906 2995 1 8 . 1 1 54 54 PHE HA H 54 5.380 5.380 5.489 -0.109 19906 2996 1 8 . 1 1 54 54 PHE CA C 54 56.180 56.180 56.188 -0.008 19906 2997 1 8 . 1 1 54 54 PHE CB C 54 42.110 42.110 41.359 0.751 19906 2998 1 8 . 1 1 54 54 PHE H H 54 8.770 8.770 8.616 0.154 19906 2999 1 8 . 1 1 55 55 VAL N N 55 125.760 125.760 124.035 1.725 19906 3000 1 8 . 1 1 55 55 VAL HA H 55 4.320 4.320 4.537 -0.217 19906 3001 1 8 . 1 1 55 55 VAL CA C 55 59.140 59.140 59.280 -0.140 19906 3002 1 8 . 1 1 55 55 VAL CB C 55 34.940 34.940 36.227 -1.287 19906 3003 1 8 . 1 1 55 55 VAL H H 55 8.290 8.290 8.497 -0.207 19906 3004 1 8 . 1 1 56 56 ASP N N 56 127.100 127.100 128.114 -1.014 19906 3005 1 8 . 1 1 56 56 ASP HA H 56 4.560 4.560 4.534 0.026 19906 3006 1 8 . 1 1 56 56 ASP CA C 56 54.980 54.980 55.126 -0.146 19906 3007 1 8 . 1 1 56 56 ASP CB C 56 42.730 42.730 41.745 0.985 19906 3008 1 8 . 1 1 56 56 ASP H H 56 8.460 8.460 8.719 -0.259 19906 3009 1 8 . 1 1 57 57 SER N N 57 119.630 119.630 117.140 2.490 19906 3010 1 8 . 1 1 57 57 SER HA H 57 4.330 4.330 4.560 -0.230 19906 3011 1 8 . 1 1 57 57 SER CA C 57 60.630 60.630 61.164 -0.534 19906 3012 1 8 . 1 1 57 57 SER CB C 57 62.680 62.680 63.354 -0.674 19906 3013 1 8 . 1 1 57 57 SER H H 57 8.260 8.260 8.615 -0.355 19906 3014 1 8 . 1 1 58 58 SER N N 58 117.030 117.030 115.049 1.981 19906 3015 1 8 . 1 1 58 58 SER HA H 58 4.400 4.400 4.316 0.084 19906 3016 1 8 . 1 1 58 58 SER CA C 58 60.430 60.430 60.728 -0.298 19906 3017 1 8 . 1 1 58 58 SER CB C 58 63.700 63.700 63.028 0.672 19906 3018 1 8 . 1 1 58 58 SER H H 58 9.080 9.080 8.418 0.662 19906 3019 1 8 . 1 1 59 59 VAL N N 59 119.350 119.350 119.567 -0.217 19906 3020 1 8 . 1 1 59 59 VAL HA H 59 3.790 3.790 3.857 -0.067 19906 3021 1 8 . 1 1 59 59 VAL CA C 59 65.670 65.670 64.070 1.600 19906 3022 1 8 . 1 1 59 59 VAL CB C 59 32.400 32.400 32.010 0.390 19906 3023 1 8 . 1 1 59 59 VAL H H 59 7.570 7.570 7.311 0.259 19906 3024 1 8 . 1 1 60 60 GLY N N 60 104.070 104.070 104.544 -0.474 19906 3025 1 8 . 1 1 60 60 GLY CA C 60 44.430 44.430 45.480 -1.050 19906 3026 1 8 . 1 1 60 60 GLY H H 60 6.120 6.120 7.679 -1.559 19906 3027 1 8 . 1 1 61 61 TYR N N 61 117.690 117.690 117.700 -0.010 19906 3028 1 8 . 1 1 61 61 TYR HA H 61 5.030 5.030 4.711 0.319 19906 3029 1 8 . 1 1 61 61 TYR CA C 61 56.320 56.320 56.197 0.123 19906 3030 1 8 . 1 1 61 61 TYR CB C 61 41.700 41.700 41.285 0.415 19906 3031 1 8 . 1 1 61 61 TYR H H 61 6.080 6.080 7.237 -1.157 19906 3032 1 8 . 1 1 62 62 TYR N N 62 126.650 126.650 125.470 1.180 19906 3033 1 8 . 1 1 62 62 TYR HA H 62 4.440 4.440 4.543 -0.103 19906 3034 1 8 . 1 1 62 62 TYR CA C 62 58.560 58.560 57.456 1.103 19906 3035 1 8 . 1 1 62 62 TYR CB C 62 43.550 43.550 42.697 0.853 19906 3036 1 8 . 1 1 62 62 TYR H H 62 8.440 8.440 7.885 0.555 19906 3037 1 8 . 1 1 63 63 THR N N 63 122.160 122.160 117.092 5.068 19906 3038 1 8 . 1 1 63 63 THR HA H 63 4.780 4.780 4.766 0.014 19906 3039 1 8 . 1 1 63 63 THR CA C 63 61.610 61.610 60.833 0.777 19906 3040 1 8 . 1 1 63 63 THR CB C 63 69.810 69.810 71.370 -1.560 19906 3041 1 8 . 1 1 63 63 THR H H 63 7.380 7.380 6.847 0.533 19906 3042 1 8 . 1 1 64 64 VAL N N 64 127.940 127.940 121.897 6.043 19906 3043 1 8 . 1 1 64 64 VAL HA H 64 3.660 3.660 4.593 -0.933 19906 3044 1 8 . 1 1 64 64 VAL CA C 64 61.840 61.840 60.757 1.083 19906 3045 1 8 . 1 1 64 64 VAL CB C 64 31.840 31.840 32.271 -0.431 19906 3046 1 8 . 1 1 64 64 VAL H H 64 8.860 8.860 8.236 0.624 19906 3047 1 8 . 1 1 65 65 THR N N 65 116.150 116.150 117.097 -0.947 19906 3048 1 8 . 1 1 65 65 THR HA H 65 4.640 4.640 5.017 -0.377 19906 3049 1 8 . 1 1 65 65 THR CA C 65 59.470 59.470 59.676 -0.206 19906 3050 1 8 . 1 1 65 65 THR CB C 65 71.160 71.160 70.797 0.363 19906 3051 1 8 . 1 1 65 65 THR H H 65 7.290 7.290 8.254 -0.964 19906 3052 1 8 . 1 1 66 66 GLY N N 66 105.560 105.560 110.369 -4.809 19906 3053 1 8 . 1 1 66 66 GLY CA C 66 45.860 45.860 44.866 0.994 19906 3054 1 8 . 1 1 66 66 GLY H H 66 8.450 8.450 8.528 -0.078 19906 3055 1 8 . 1 1 67 67 LEU N N 67 119.080 119.080 120.840 -1.760 19906 3056 1 8 . 1 1 67 67 LEU HA H 67 4.180 4.180 4.111 0.069 19906 3057 1 8 . 1 1 67 67 LEU CA C 67 53.380 53.380 52.610 0.770 19906 3058 1 8 . 1 1 67 67 LEU CB C 67 41.630 41.630 41.533 0.097 19906 3059 1 8 . 1 1 67 67 LEU H H 67 7.850 7.850 7.623 0.227 19906 3060 1 8 . 1 1 68 68 GLU N N 68 120.030 120.030 124.774 -4.744 19906 3061 1 8 . 1 1 68 68 GLU HA H 68 4.920 4.920 4.305 0.615 19906 3062 1 8 . 1 1 68 68 GLU CA C 68 52.510 52.510 55.286 -2.776 19906 3063 1 8 . 1 1 68 68 GLU CB C 68 31.040 31.040 29.061 1.979 19906 3064 1 8 . 1 1 68 68 GLU H H 68 8.500 8.500 8.292 0.208 19906 3065 1 8 . 1 1 69 69 PRO HA H 69 4.470 4.470 4.473 -0.003 19906 3066 1 8 . 1 1 69 69 PRO CA C 69 62.740 62.740 63.146 -0.406 19906 3067 1 8 . 1 1 69 69 PRO CB C 69 31.410 31.410 32.091 -0.681 19906 3068 1 8 . 1 1 70 70 GLY N N 70 106.940 106.940 109.899 -2.959 19906 3069 1 8 . 1 1 70 70 GLY CA C 70 45.830 45.830 45.537 0.293 19906 3070 1 8 . 1 1 70 70 GLY H H 70 8.500 8.500 8.798 -0.298 19906 3071 1 8 . 1 1 71 71 ILE N N 71 120.080 120.080 120.244 -0.164 19906 3072 1 8 . 1 1 71 71 ILE HA H 71 4.080 4.080 4.218 -0.138 19906 3073 1 8 . 1 1 71 71 ILE CA C 71 58.710 58.710 59.967 -1.256 19906 3074 1 8 . 1 1 71 71 ILE CB C 71 40.410 40.410 40.615 -0.205 19906 3075 1 8 . 1 1 71 71 ILE H H 71 7.510 7.510 7.561 -0.051 19906 3076 1 8 . 1 1 72 72 ASP N N 72 124.920 124.920 126.663 -1.743 19906 3077 1 8 . 1 1 72 72 ASP HA H 72 4.930 4.930 4.639 0.291 19906 3078 1 8 . 1 1 72 72 ASP CA C 72 54.260 54.260 53.425 0.835 19906 3079 1 8 . 1 1 72 72 ASP CB C 72 41.120 41.120 41.111 0.009 19906 3080 1 8 . 1 1 72 72 ASP H H 72 8.190 8.190 8.468 -0.278 19906 3081 1 8 . 1 1 73 73 TYR N N 73 122.440 122.440 125.260 -2.820 19906 3082 1 8 . 1 1 73 73 TYR HA H 73 5.070 5.070 4.725 0.345 19906 3083 1 8 . 1 1 73 73 TYR CA C 73 57.390 57.390 57.826 -0.436 19906 3084 1 8 . 1 1 73 73 TYR CB C 73 40.550 40.550 40.274 0.276 19906 3085 1 8 . 1 1 73 73 TYR H H 73 9.310 9.310 8.305 1.005 19906 3086 1 8 . 1 1 74 74 ASP N N 74 122.980 122.980 125.024 -2.044 19906 3087 1 8 . 1 1 74 74 ASP HA H 74 5.220 5.220 4.906 0.314 19906 3088 1 8 . 1 1 74 74 ASP CA C 74 53.900 53.900 54.398 -0.497 19906 3089 1 8 . 1 1 74 74 ASP CB C 74 42.120 42.120 41.777 0.343 19906 3090 1 8 . 1 1 74 74 ASP H H 74 9.290 9.290 8.873 0.417 19906 3091 1 8 . 1 1 75 75 ILE N N 75 124.270 124.270 119.973 4.297 19906 3092 1 8 . 1 1 75 75 ILE HA H 75 5.470 5.470 4.932 0.538 19906 3093 1 8 . 1 1 75 75 ILE CA C 75 58.400 58.400 58.251 0.149 19906 3094 1 8 . 1 1 75 75 ILE CB C 75 40.900 40.900 41.157 -0.257 19906 3095 1 8 . 1 1 75 75 ILE H H 75 8.810 8.810 8.293 0.517 19906 3096 1 8 . 1 1 76 76 SER N N 76 121.300 121.300 116.411 4.889 19906 3097 1 8 . 1 1 76 76 SER HA H 76 5.800 5.800 4.676 1.124 19906 3098 1 8 . 1 1 76 76 SER CA C 76 56.340 56.340 58.011 -1.671 19906 3099 1 8 . 1 1 76 76 SER CB C 76 66.180 66.180 65.036 1.144 19906 3100 1 8 . 1 1 76 76 SER H H 76 8.760 8.760 8.513 0.247 19906 3101 1 8 . 1 1 77 77 VAL N N 77 124.740 124.740 125.232 -0.492 19906 3102 1 8 . 1 1 77 77 VAL HA H 77 4.760 4.760 4.142 0.618 19906 3103 1 8 . 1 1 77 77 VAL CA C 77 61.190 61.190 61.671 -0.481 19906 3104 1 8 . 1 1 77 77 VAL CB C 77 33.270 33.270 31.298 1.972 19906 3105 1 8 . 1 1 77 77 VAL H H 77 9.420 9.420 8.384 1.036 19906 3106 1 8 . 1 1 78 78 ILE N N 78 126.300 126.300 128.372 -2.072 19906 3107 1 8 . 1 1 78 78 ILE HA H 78 4.710 4.710 4.300 0.410 19906 3108 1 8 . 1 1 78 78 ILE CA C 78 61.160 61.160 60.471 0.689 19906 3109 1 8 . 1 1 78 78 ILE CB C 78 41.050 41.050 39.273 1.777 19906 3110 1 8 . 1 1 78 78 ILE H H 78 9.370 9.370 8.066 1.304 19906 3111 1 8 . 1 1 79 79 THR N N 79 122.350 122.350 121.280 1.070 19906 3112 1 8 . 1 1 79 79 THR HA H 79 4.280 4.280 4.421 -0.141 19906 3113 1 8 . 1 1 79 79 THR CA C 79 64.260 64.260 61.399 2.861 19906 3114 1 8 . 1 1 79 79 THR CB C 79 69.130 69.130 69.637 -0.507 19906 3115 1 8 . 1 1 79 79 THR H H 79 8.550 8.550 8.273 0.277 19906 3116 1 8 . 1 1 80 80 LEU N N 80 128.900 128.900 129.227 -0.327 19906 3117 1 8 . 1 1 80 80 LEU HA H 80 4.730 4.730 4.702 0.028 19906 3118 1 8 . 1 1 80 80 LEU CA C 80 54.060 54.060 53.980 0.080 19906 3119 1 8 . 1 1 80 80 LEU CB C 80 41.470 41.470 43.587 -2.117 19906 3120 1 8 . 1 1 80 80 LEU H H 80 8.660 8.660 8.943 -0.283 19906 3121 1 8 . 1 1 81 81 ILE N N 81 121.640 121.640 119.334 2.306 19906 3122 1 8 . 1 1 81 81 ILE HA H 81 4.870 4.870 4.442 0.428 19906 3123 1 8 . 1 1 81 81 ILE CA C 81 59.300 59.300 59.946 -0.646 19906 3124 1 8 . 1 1 81 81 ILE CB C 81 40.510 40.510 41.383 -0.873 19906 3125 1 8 . 1 1 81 81 ILE H H 81 8.350 8.350 8.020 0.330 19906 3126 1 8 . 1 1 82 82 ASN N N 82 123.240 123.240 122.683 0.557 19906 3127 1 8 . 1 1 82 82 ASN HA H 82 4.640 4.640 4.607 0.033 19906 3128 1 8 . 1 1 82 82 ASN CA C 82 53.450 53.450 54.312 -0.862 19906 3129 1 8 . 1 1 82 82 ASN CB C 82 38.940 38.940 39.000 -0.060 19906 3130 1 8 . 1 1 82 82 ASN H H 82 8.820 8.820 8.695 0.125 19906 3131 1 8 . 1 1 83 83 GLY N N 83 112.680 112.680 105.318 7.362 19906 3132 1 8 . 1 1 83 83 GLY CA C 83 45.420 45.420 44.558 0.862 19906 3133 1 8 . 1 1 83 83 GLY H H 83 8.630 8.630 8.114 0.516 19906 3134 1 8 . 1 1 84 84 GLY N N 84 108.560 108.560 110.560 -2.000 19906 3135 1 8 . 1 1 84 84 GLY CA C 84 45.190 45.190 43.968 1.222 19906 3136 1 8 . 1 1 84 84 GLY H H 84 8.280 8.280 8.161 0.119 19906 3137 1 8 . 1 1 85 85 GLU N N 85 120.690 120.690 120.200 0.490 19906 3138 1 8 . 1 1 85 85 GLU HA H 85 4.320 4.320 4.411 -0.091 19906 3139 1 8 . 1 1 85 85 GLU CA C 85 56.480 56.480 56.269 0.211 19906 3140 1 8 . 1 1 85 85 GLU CB C 85 30.480 30.480 29.804 0.676 19906 3141 1 8 . 1 1 85 85 GLU H H 85 8.460 8.460 8.551 -0.091 19906 3142 1 8 . 1 1 86 86 SER N N 86 116.860 116.860 118.663 -1.803 19906 3143 1 8 . 1 1 86 86 SER HA H 86 4.430 4.430 4.513 -0.083 19906 3144 1 8 . 1 1 86 86 SER CA C 86 57.920 57.920 58.202 -0.282 19906 3145 1 8 . 1 1 86 86 SER CB C 86 63.720 63.720 64.179 -0.459 19906 3146 1 8 . 1 1 86 86 SER H H 86 8.350 8.350 8.426 -0.076 19906 3147 1 8 . 1 1 87 87 ALA N N 87 126.890 126.890 125.384 1.506 19906 3148 1 8 . 1 1 87 87 ALA HA H 87 4.580 4.580 4.558 0.022 19906 3149 1 8 . 1 1 87 87 ALA CA C 87 50.450 50.450 50.806 -0.356 19906 3150 1 8 . 1 1 87 87 ALA CB C 87 18.110 18.110 18.483 -0.372 19906 3151 1 8 . 1 1 87 87 ALA H H 87 8.240 8.240 8.395 -0.155 19906 3152 1 8 . 1 1 88 88 PRO HA H 88 4.470 4.470 4.389 0.081 19906 3153 1 8 . 1 1 88 88 PRO CA C 88 62.960 62.960 63.604 -0.644 19906 3154 1 8 . 1 1 88 88 PRO CB C 88 31.460 31.460 32.269 -0.809 19906 3155 1 8 . 1 1 89 89 THR N N 89 114.280 114.280 112.641 1.639 19906 3156 1 8 . 1 1 89 89 THR HA H 89 4.340 4.340 4.604 -0.265 19906 3157 1 8 . 1 1 89 89 THR CA C 89 62.320 62.320 60.277 2.043 19906 3158 1 8 . 1 1 89 89 THR CB C 89 69.530 69.530 70.656 -1.126 19906 3159 1 8 . 1 1 89 89 THR H H 89 8.270 8.270 7.550 0.720 19906 3160 1 8 . 1 1 90 90 THR N N 90 116.290 116.290 115.696 0.594 19906 3161 1 8 . 1 1 90 90 THR HA H 90 4.330 4.330 4.612 -0.282 19906 3162 1 8 . 1 1 90 90 THR CA C 90 61.890 61.890 61.163 0.727 19906 3163 1 8 . 1 1 90 90 THR CB C 90 69.500 69.500 70.731 -1.231 19906 3164 1 8 . 1 1 90 90 THR H H 90 8.090 8.090 8.059 0.031 19906 3165 1 8 . 1 1 91 91 LEU N N 91 124.660 124.660 123.816 0.844 19906 3166 1 8 . 1 1 91 91 LEU HA H 91 4.410 4.410 4.685 -0.275 19906 3167 1 8 . 1 1 91 91 LEU CA C 91 55.590 55.590 54.694 0.896 19906 3168 1 8 . 1 1 91 91 LEU CB C 91 41.600 41.600 42.528 -0.928 19906 3169 1 8 . 1 1 91 91 LEU H H 91 8.290 8.290 8.323 -0.033 19906 3170 1 8 . 1 1 92 92 THR N N 92 115.030 115.030 115.959 -0.929 19906 3171 1 8 . 1 1 92 92 THR HA H 92 4.300 4.300 4.267 0.033 19906 3172 1 8 . 1 1 92 92 THR CA C 92 61.890 61.890 62.081 -0.191 19906 3173 1 8 . 1 1 92 92 THR CB C 92 69.500 69.500 69.648 -0.148 19906 3174 1 8 . 1 1 92 92 THR H H 92 8.100 8.100 8.201 -0.101 19906 3175 1 8 . 1 1 93 93 GLN N N 93 123.200 123.200 122.982 0.218 19906 3176 1 8 . 1 1 93 93 GLN HA H 93 4.350 4.350 4.322 0.028 19906 3177 1 8 . 1 1 93 93 GLN CA C 93 55.720 55.720 55.139 0.581 19906 3178 1 8 . 1 1 93 93 GLN CB C 93 29.050 29.050 29.401 -0.352 19906 3179 1 8 . 1 1 93 93 GLN H H 93 8.380 8.380 8.361 0.019 19906 3180 1 8 . 1 1 94 94 GLN N N 94 122.720 122.720 120.199 2.521 19906 3181 1 8 . 1 1 94 94 GLN HA H 94 4.400 4.400 4.016 0.384 19906 3182 1 8 . 1 1 94 94 GLN CA C 94 55.780 55.780 57.071 -1.291 19906 3183 1 8 . 1 1 94 94 GLN CB C 94 29.100 29.100 27.689 1.411 19906 3184 1 8 . 1 1 94 94 GLN H H 94 8.480 8.480 8.893 -0.413 19906 3185 1 9 . 1 1 4 4 SER HA H 4 4.400 4.400 4.288 0.112 19906 3186 1 9 . 1 1 4 4 SER CA C 4 58.290 58.290 58.206 0.084 19906 3187 1 9 . 1 1 4 4 SER CB C 4 63.790 63.790 63.421 0.369 19906 3188 1 9 . 1 1 5 5 GLU N N 5 121.960 121.960 123.452 -1.492 19906 3189 1 9 . 1 1 5 5 GLU HA H 5 4.410 4.410 4.638 -0.228 19906 3190 1 9 . 1 1 5 5 GLU CA C 5 55.610 55.610 55.574 0.036 19906 3191 1 9 . 1 1 5 5 GLU CB C 5 31.950 31.950 30.593 1.357 19906 3192 1 9 . 1 1 5 5 GLU H H 5 8.450 8.450 8.344 0.106 19906 3193 1 9 . 1 1 6 6 VAL N N 6 122.170 122.170 123.088 -0.918 19906 3194 1 9 . 1 1 6 6 VAL HA H 6 4.070 4.070 4.486 -0.416 19906 3195 1 9 . 1 1 6 6 VAL CA C 6 56.380 56.380 59.387 -3.007 19906 3196 1 9 . 1 1 6 6 VAL CB C 6 29.500 29.500 31.623 -2.123 19906 3197 1 9 . 1 1 6 6 VAL H H 6 8.260 8.260 8.266 -0.006 19906 3198 1 9 . 1 1 9 9 LEU N N 9 123.830 123.830 125.219 -1.389 19906 3199 1 9 . 1 1 9 9 LEU HA H 9 4.490 4.490 4.538 -0.048 19906 3200 1 9 . 1 1 9 9 LEU CA C 9 54.820 54.820 54.398 0.422 19906 3201 1 9 . 1 1 9 9 LEU CB C 9 41.930 41.930 42.510 -0.580 19906 3202 1 9 . 1 1 9 9 LEU H H 9 7.770 7.770 8.462 -0.692 19906 3203 1 9 . 1 1 11 11 ASP HA H 11 4.730 4.730 4.632 0.098 19906 3204 1 9 . 1 1 11 11 ASP CA C 11 53.060 53.060 53.129 -0.069 19906 3205 1 9 . 1 1 11 11 ASP CB C 11 38.110 38.110 41.354 -3.244 19906 3206 1 9 . 1 1 12 12 LEU N N 12 122.730 122.730 119.907 2.823 19906 3207 1 9 . 1 1 12 12 LEU HA H 12 4.660 4.660 4.202 0.458 19906 3208 1 9 . 1 1 12 12 LEU CA C 12 55.130 55.130 55.691 -0.561 19906 3209 1 9 . 1 1 12 12 LEU CB C 12 43.390 43.390 42.077 1.313 19906 3210 1 9 . 1 1 12 12 LEU H H 12 7.420 7.420 8.313 -0.893 19906 3211 1 9 . 1 1 13 13 SER N N 13 120.760 120.760 115.509 5.251 19906 3212 1 9 . 1 1 13 13 SER HA H 13 4.270 4.270 4.813 -0.543 19906 3213 1 9 . 1 1 13 13 SER CA C 13 56.880 56.880 57.365 -0.485 19906 3214 1 9 . 1 1 13 13 SER CB C 13 65.890 65.890 65.549 0.341 19906 3215 1 9 . 1 1 13 13 SER H H 13 9.020 9.020 8.173 0.847 19906 3216 1 9 . 1 1 14 14 PHE N N 14 119.920 119.920 120.672 -0.752 19906 3217 1 9 . 1 1 14 14 PHE HA H 14 5.510 5.510 5.048 0.462 19906 3218 1 9 . 1 1 14 14 PHE CA C 14 56.760 56.760 56.534 0.226 19906 3219 1 9 . 1 1 14 14 PHE CB C 14 39.930 39.930 41.277 -1.347 19906 3220 1 9 . 1 1 14 14 PHE H H 14 8.370 8.370 8.747 -0.377 19906 3221 1 9 . 1 1 15 15 VAL N N 15 117.820 117.820 117.401 0.419 19906 3222 1 9 . 1 1 15 15 VAL HA H 15 4.680 4.680 4.493 0.187 19906 3223 1 9 . 1 1 15 15 VAL CA C 15 58.880 58.880 60.421 -1.541 19906 3224 1 9 . 1 1 15 15 VAL CB C 15 36.900 36.900 35.437 1.463 19906 3225 1 9 . 1 1 15 15 VAL H H 15 9.100 9.100 8.379 0.721 19906 3226 1 9 . 1 1 16 16 ASP N N 16 116.850 116.850 119.719 -2.869 19906 3227 1 9 . 1 1 16 16 ASP HA H 16 4.190 4.190 4.247 -0.057 19906 3228 1 9 . 1 1 16 16 ASP CA C 16 54.550 54.550 55.371 -0.821 19906 3229 1 9 . 1 1 16 16 ASP CB C 16 38.920 38.920 40.359 -1.439 19906 3230 1 9 . 1 1 16 16 ASP H H 16 8.520 8.520 8.716 -0.196 19906 3231 1 9 . 1 1 17 17 ILE N N 17 118.600 118.600 119.533 -0.933 19906 3232 1 9 . 1 1 17 17 ILE HA H 17 4.150 4.150 3.971 0.179 19906 3233 1 9 . 1 1 17 17 ILE CA C 17 63.190 63.190 62.859 0.331 19906 3234 1 9 . 1 1 17 17 ILE CB C 17 37.770 37.770 38.556 -0.786 19906 3235 1 9 . 1 1 17 17 ILE H H 17 8.150 8.150 7.942 0.208 19906 3236 1 9 . 1 1 18 18 THR N N 18 122.160 122.160 121.820 0.340 19906 3237 1 9 . 1 1 18 18 THR HA H 18 4.910 4.910 4.640 0.270 19906 3238 1 9 . 1 1 18 18 THR CA C 18 60.570 60.570 60.544 0.026 19906 3239 1 9 . 1 1 18 18 THR CB C 18 70.600 70.600 70.353 0.247 19906 3240 1 9 . 1 1 18 18 THR H H 18 8.740 8.740 8.220 0.520 19906 3241 1 9 . 1 1 19 19 ASP N N 19 115.600 115.600 121.157 -5.557 19906 3242 1 9 . 1 1 19 19 ASP HA H 19 4.480 4.480 4.610 -0.130 19906 3243 1 9 . 1 1 19 19 ASP CA C 19 54.880 54.880 55.320 -0.440 19906 3244 1 9 . 1 1 19 19 ASP CB C 19 40.430 40.430 40.329 0.101 19906 3245 1 9 . 1 1 19 19 ASP H H 19 8.450 8.450 8.482 -0.032 19906 3246 1 9 . 1 1 20 20 SER N N 20 108.500 108.500 113.887 -5.387 19906 3247 1 9 . 1 1 20 20 SER HA H 20 4.620 4.620 4.773 -0.153 19906 3248 1 9 . 1 1 20 20 SER CA C 20 57.660 57.660 57.554 0.106 19906 3249 1 9 . 1 1 20 20 SER CB C 20 66.090 66.090 63.580 2.510 19906 3250 1 9 . 1 1 20 20 SER H H 20 8.120 8.120 7.993 0.127 19906 3251 1 9 . 1 1 21 21 SER N N 21 116.590 116.590 113.948 2.642 19906 3252 1 9 . 1 1 21 21 SER HA H 21 5.230 5.230 5.116 0.114 19906 3253 1 9 . 1 1 21 21 SER CA C 21 56.730 56.730 57.296 -0.566 19906 3254 1 9 . 1 1 21 21 SER CB C 21 66.730 66.730 65.645 1.085 19906 3255 1 9 . 1 1 21 21 SER H H 21 7.530 7.530 7.454 0.076 19906 3256 1 9 . 1 1 22 22 ILE N N 22 113.850 113.850 116.196 -2.346 19906 3257 1 9 . 1 1 22 22 ILE HA H 22 4.490 4.490 4.745 -0.255 19906 3258 1 9 . 1 1 22 22 ILE CA C 22 60.320 60.320 59.079 1.241 19906 3259 1 9 . 1 1 22 22 ILE CB C 22 42.650 42.650 41.709 0.941 19906 3260 1 9 . 1 1 22 22 ILE H H 22 8.210 8.210 7.866 0.344 19906 3261 1 9 . 1 1 23 23 GLY N N 23 112.950 112.950 112.731 0.219 19906 3262 1 9 . 1 1 23 23 GLY CA C 23 44.110 44.110 44.126 -0.016 19906 3263 1 9 . 1 1 23 23 GLY H H 23 8.300 8.300 8.453 -0.153 19906 3264 1 9 . 1 1 24 24 LEU N N 24 123.740 123.740 126.262 -2.522 19906 3265 1 9 . 1 1 24 24 LEU HA H 24 4.820 4.820 4.252 0.568 19906 3266 1 9 . 1 1 24 24 LEU CA C 24 53.930 53.930 55.200 -1.270 19906 3267 1 9 . 1 1 24 24 LEU CB C 24 42.470 42.470 41.976 0.494 19906 3268 1 9 . 1 1 24 24 LEU H H 24 8.820 8.820 7.749 1.071 19906 3269 1 9 . 1 1 25 25 ARG N N 25 119.980 119.980 124.668 -4.688 19906 3270 1 9 . 1 1 25 25 ARG HA H 25 4.890 4.890 4.578 0.312 19906 3271 1 9 . 1 1 25 25 ARG CA C 25 54.040 54.040 54.999 -0.959 19906 3272 1 9 . 1 1 25 25 ARG CB C 25 33.850 33.850 34.278 -0.428 19906 3273 1 9 . 1 1 25 25 ARG H H 25 8.570 8.570 7.960 0.610 19906 3274 1 9 . 1 1 26 26 TRP N N 26 122.480 122.480 124.189 -1.709 19906 3275 1 9 . 1 1 26 26 TRP HA H 26 4.840 4.840 5.009 -0.169 19906 3276 1 9 . 1 1 26 26 TRP CA C 26 56.790 56.790 56.416 0.374 19906 3277 1 9 . 1 1 26 26 TRP CB C 26 31.460 31.460 30.883 0.577 19906 3278 1 9 . 1 1 26 26 TRP H H 26 7.960 7.960 7.386 0.574 19906 3279 1 9 . 1 1 27 27 THR N N 27 119.820 119.820 119.183 0.637 19906 3280 1 9 . 1 1 27 27 THR HA H 27 4.750 4.750 4.683 0.067 19906 3281 1 9 . 1 1 27 27 THR CA C 27 60.690 60.690 59.615 1.075 19906 3282 1 9 . 1 1 27 27 THR CB C 27 68.460 68.460 69.297 -0.837 19906 3283 1 9 . 1 1 27 27 THR H H 27 9.780 9.780 8.372 1.408 19906 3284 1 9 . 1 1 28 28 PRO HA H 28 4.470 4.470 4.482 -0.012 19906 3285 1 9 . 1 1 28 28 PRO CA C 28 63.260 63.260 63.181 0.079 19906 3286 1 9 . 1 1 28 28 PRO CB C 28 31.980 31.980 32.383 -0.403 19906 3287 1 9 . 1 1 29 29 LEU N N 29 124.220 124.220 122.359 1.861 19906 3288 1 9 . 1 1 29 29 LEU HA H 29 4.490 4.490 4.464 0.026 19906 3289 1 9 . 1 1 29 29 LEU CA C 29 54.150 54.150 54.684 -0.534 19906 3290 1 9 . 1 1 29 29 LEU CB C 29 43.040 43.040 42.174 0.866 19906 3291 1 9 . 1 1 29 29 LEU H H 29 8.570 8.570 8.388 0.182 19906 3292 1 9 . 1 1 30 30 ASN N N 30 119.950 119.950 121.643 -1.693 19906 3293 1 9 . 1 1 30 30 ASN HA H 30 4.700 4.700 4.455 0.245 19906 3294 1 9 . 1 1 30 30 ASN CA C 30 53.570 53.570 55.840 -2.270 19906 3295 1 9 . 1 1 30 30 ASN CB C 30 38.340 38.340 38.522 -0.182 19906 3296 1 9 . 1 1 30 30 ASN H H 30 8.630 8.630 8.903 -0.273 19906 3297 1 9 . 1 1 31 31 SER N N 31 114.290 114.290 113.656 0.634 19906 3298 1 9 . 1 1 31 31 SER HA H 31 4.560 4.560 4.462 0.098 19906 3299 1 9 . 1 1 31 31 SER CA C 31 57.500 57.500 59.044 -1.544 19906 3300 1 9 . 1 1 31 31 SER CB C 31 63.480 63.480 63.630 -0.150 19906 3301 1 9 . 1 1 31 31 SER H H 31 8.090 8.090 8.003 0.087 19906 3302 1 9 . 1 1 32 32 SER HA H 32 4.560 4.560 4.404 0.156 19906 3303 1 9 . 1 1 32 32 SER CA C 32 58.140 58.140 59.087 -0.947 19906 3304 1 9 . 1 1 32 32 SER CB C 32 63.730 63.730 64.098 -0.368 19906 3305 1 9 . 1 1 33 33 THR N N 33 114.160 114.160 119.018 -4.858 19906 3306 1 9 . 1 1 33 33 THR HA H 33 4.300 4.300 4.215 0.085 19906 3307 1 9 . 1 1 33 33 THR CA C 33 63.620 63.620 63.499 0.121 19906 3308 1 9 . 1 1 33 33 THR CB C 33 69.530 69.530 69.400 0.130 19906 3309 1 9 . 1 1 33 33 THR H H 33 8.000 8.000 8.286 -0.285 19906 3310 1 9 . 1 1 34 34 ILE N N 34 121.090 121.090 126.073 -4.983 19906 3311 1 9 . 1 1 34 34 ILE HA H 34 4.300 4.300 4.184 0.116 19906 3312 1 9 . 1 1 34 34 ILE CA C 34 61.920 61.920 61.260 0.660 19906 3313 1 9 . 1 1 34 34 ILE CB C 34 38.080 38.080 36.968 1.113 19906 3314 1 9 . 1 1 34 34 ILE H H 34 7.980 7.980 8.291 -0.311 19906 3315 1 9 . 1 1 35 35 ILE N N 35 126.230 126.230 121.179 5.051 19906 3316 1 9 . 1 1 35 35 ILE HA H 35 4.220 4.220 4.383 -0.163 19906 3317 1 9 . 1 1 35 35 ILE CA C 35 61.720 61.720 59.173 2.547 19906 3318 1 9 . 1 1 35 35 ILE CB C 35 38.790 38.790 41.077 -2.287 19906 3319 1 9 . 1 1 35 35 ILE H H 35 8.810 8.810 7.451 1.359 19906 3320 1 9 . 1 1 36 36 GLY CA C 36 45.520 45.520 45.744 -0.224 19906 3321 1 9 . 1 1 37 37 TYR N N 37 120.400 120.400 125.064 -4.664 19906 3322 1 9 . 1 1 37 37 TYR HA H 37 5.070 5.070 4.388 0.682 19906 3323 1 9 . 1 1 37 37 TYR CA C 37 57.930 57.930 58.580 -0.650 19906 3324 1 9 . 1 1 37 37 TYR CB C 37 38.950 38.950 40.029 -1.079 19906 3325 1 9 . 1 1 37 37 TYR H H 37 7.340 7.340 7.979 -0.639 19906 3326 1 9 . 1 1 38 38 ARG HA H 38 5.150 5.150 4.705 0.445 19906 3327 1 9 . 1 1 38 38 ARG CA C 38 54.450 54.450 54.491 -0.041 19906 3328 1 9 . 1 1 38 38 ARG CB C 38 31.530 31.530 33.089 -1.559 19906 3329 1 9 . 1 1 39 39 ILE N N 39 129.570 129.570 122.559 7.011 19906 3330 1 9 . 1 1 39 39 ILE HA H 39 5.060 5.060 4.518 0.542 19906 3331 1 9 . 1 1 39 39 ILE CA C 39 60.030 60.030 60.014 0.016 19906 3332 1 9 . 1 1 39 39 ILE CB C 39 40.780 40.780 39.189 1.591 19906 3333 1 9 . 1 1 39 39 ILE H H 39 9.040 9.040 7.971 1.069 19906 3334 1 9 . 1 1 40 40 THR N N 40 120.430 120.430 117.625 2.805 19906 3335 1 9 . 1 1 40 40 THR HA H 40 5.210 5.210 4.736 0.474 19906 3336 1 9 . 1 1 40 40 THR CA C 40 61.130 61.130 61.655 -0.525 19906 3337 1 9 . 1 1 40 40 THR CB C 40 71.090 71.090 71.525 -0.436 19906 3338 1 9 . 1 1 40 40 THR H H 40 8.880 8.880 8.006 0.874 19906 3339 1 9 . 1 1 41 41 VAL HA H 41 5.030 5.030 4.666 0.364 19906 3340 1 9 . 1 1 41 41 VAL CA C 41 61.280 61.280 60.319 0.960 19906 3341 1 9 . 1 1 41 41 VAL CB C 41 33.800 33.800 34.583 -0.783 19906 3342 1 9 . 1 1 41 41 VAL H H 41 8.820 8.820 8.657 0.163 19906 3343 1 9 . 1 1 42 42 VAL N N 42 127.670 127.670 126.970 0.700 19906 3344 1 9 . 1 1 42 42 VAL HA H 42 4.650 4.650 4.394 0.256 19906 3345 1 9 . 1 1 42 42 VAL CA C 42 60.320 60.320 60.394 -0.074 19906 3346 1 9 . 1 1 42 42 VAL CB C 42 35.800 35.800 36.377 -0.577 19906 3347 1 9 . 1 1 42 42 VAL H H 42 9.100 9.100 9.278 -0.178 19906 3348 1 9 . 1 1 43 43 ALA N N 43 131.340 131.340 127.706 3.634 19906 3349 1 9 . 1 1 43 43 ALA HA H 43 4.410 4.410 3.887 0.523 19906 3350 1 9 . 1 1 43 43 ALA CA C 43 52.420 52.420 50.498 1.921 19906 3351 1 9 . 1 1 43 43 ALA CB C 43 18.750 18.750 19.830 -1.080 19906 3352 1 9 . 1 1 43 43 ALA H H 43 9.420 9.420 8.274 1.146 19906 3353 1 9 . 1 1 44 44 ALA N N 44 126.040 126.040 126.214 -0.174 19906 3354 1 9 . 1 1 44 44 ALA HA H 44 4.120 4.120 4.253 -0.133 19906 3355 1 9 . 1 1 44 44 ALA CA C 44 53.790 53.790 53.935 -0.145 19906 3356 1 9 . 1 1 44 44 ALA CB C 44 18.680 18.680 19.625 -0.945 19906 3357 1 9 . 1 1 44 44 ALA H H 44 8.260 8.260 8.013 0.247 19906 3358 1 9 . 1 1 45 45 GLY CA C 45 45.620 45.620 45.573 0.047 19906 3359 1 9 . 1 1 45 45 GLY H H 45 8.700 8.700 7.982 0.718 19906 3360 1 9 . 1 1 46 46 GLU N N 46 119.650 119.650 119.744 -0.094 19906 3361 1 9 . 1 1 46 46 GLU HA H 46 4.470 4.470 4.382 0.088 19906 3362 1 9 . 1 1 46 46 GLU CA C 46 55.870 55.870 55.266 0.604 19906 3363 1 9 . 1 1 46 46 GLU CB C 46 30.520 30.520 29.878 0.642 19906 3364 1 9 . 1 1 46 46 GLU H H 46 8.110 8.110 7.540 0.570 19906 3365 1 9 . 1 1 47 47 GLY N N 47 107.160 107.160 112.094 -4.934 19906 3366 1 9 . 1 1 47 47 GLY CA C 47 45.910 45.910 45.988 -0.078 19906 3367 1 9 . 1 1 47 47 GLY H H 47 8.400 8.400 8.671 -0.271 19906 3368 1 9 . 1 1 48 48 ILE N N 48 120.010 120.010 122.298 -2.288 19906 3369 1 9 . 1 1 48 48 ILE HA H 48 4.620 4.620 4.315 0.305 19906 3370 1 9 . 1 1 48 48 ILE CA C 48 58.500 58.500 58.206 0.294 19906 3371 1 9 . 1 1 48 48 ILE CB C 48 39.400 39.400 39.460 -0.060 19906 3372 1 9 . 1 1 48 48 ILE H H 48 7.440 7.440 7.492 -0.052 19906 3373 1 9 . 1 1 49 49 PRO HA H 49 4.530 4.530 4.494 0.036 19906 3374 1 9 . 1 1 49 49 PRO CA C 49 63.590 63.590 62.084 1.506 19906 3375 1 9 . 1 1 49 49 PRO CB C 49 31.880 31.880 32.216 -0.336 19906 3376 1 9 . 1 1 50 50 ILE N N 50 122.120 122.120 119.409 2.711 19906 3377 1 9 . 1 1 50 50 ILE HA H 50 4.150 4.150 4.245 -0.095 19906 3378 1 9 . 1 1 50 50 ILE CA C 50 63.310 63.310 60.328 2.982 19906 3379 1 9 . 1 1 50 50 ILE CB C 50 38.020 38.020 38.630 -0.610 19906 3380 1 9 . 1 1 50 50 ILE H H 50 8.720 8.720 7.785 0.935 19906 3381 1 9 . 1 1 51 51 PHE HA H 51 4.770 4.770 4.415 0.355 19906 3382 1 9 . 1 1 51 51 PHE CA C 51 57.900 57.900 57.880 0.020 19906 3383 1 9 . 1 1 51 51 PHE CB C 51 41.870 41.870 39.741 2.129 19906 3384 1 9 . 1 1 52 52 GLU HA H 52 5.350 5.350 4.177 1.173 19906 3385 1 9 . 1 1 52 52 GLU CA C 52 55.140 55.140 55.929 -0.789 19906 3386 1 9 . 1 1 52 52 GLU CB C 52 32.030 32.030 30.497 1.532 19906 3387 1 9 . 1 1 53 53 ASP N N 53 122.750 122.750 118.886 3.864 19906 3388 1 9 . 1 1 53 53 ASP HA H 53 5.000 5.000 4.867 0.133 19906 3389 1 9 . 1 1 53 53 ASP CA C 53 52.950 52.950 53.450 -0.500 19906 3390 1 9 . 1 1 53 53 ASP CB C 53 44.770 44.770 44.124 0.646 19906 3391 1 9 . 1 1 53 53 ASP H H 53 8.850 8.850 7.762 1.088 19906 3392 1 9 . 1 1 54 54 PHE N N 54 121.100 121.100 120.095 1.005 19906 3393 1 9 . 1 1 54 54 PHE HA H 54 5.380 5.380 5.182 0.198 19906 3394 1 9 . 1 1 54 54 PHE CA C 54 56.180 56.180 56.725 -0.545 19906 3395 1 9 . 1 1 54 54 PHE CB C 54 42.110 42.110 40.769 1.341 19906 3396 1 9 . 1 1 54 54 PHE H H 54 8.770 8.770 8.667 0.103 19906 3397 1 9 . 1 1 55 55 VAL N N 55 125.760 125.760 123.974 1.786 19906 3398 1 9 . 1 1 55 55 VAL HA H 55 4.320 4.320 4.425 -0.105 19906 3399 1 9 . 1 1 55 55 VAL CA C 55 59.140 59.140 59.778 -0.638 19906 3400 1 9 . 1 1 55 55 VAL CB C 55 34.940 34.940 35.532 -0.592 19906 3401 1 9 . 1 1 55 55 VAL H H 55 8.290 8.290 8.128 0.162 19906 3402 1 9 . 1 1 56 56 ASP N N 56 127.100 127.100 128.132 -1.032 19906 3403 1 9 . 1 1 56 56 ASP HA H 56 4.560 4.560 4.570 -0.010 19906 3404 1 9 . 1 1 56 56 ASP CA C 56 54.980 54.980 54.968 0.012 19906 3405 1 9 . 1 1 56 56 ASP CB C 56 42.730 42.730 41.490 1.240 19906 3406 1 9 . 1 1 56 56 ASP H H 56 8.460 8.460 8.701 -0.241 19906 3407 1 9 . 1 1 57 57 SER N N 57 119.630 119.630 118.438 1.192 19906 3408 1 9 . 1 1 57 57 SER HA H 57 4.330 4.330 4.533 -0.203 19906 3409 1 9 . 1 1 57 57 SER CA C 57 60.630 60.630 61.248 -0.618 19906 3410 1 9 . 1 1 57 57 SER CB C 57 62.680 62.680 63.552 -0.872 19906 3411 1 9 . 1 1 57 57 SER H H 57 8.260 8.260 8.748 -0.488 19906 3412 1 9 . 1 1 58 58 SER N N 58 117.030 117.030 115.204 1.826 19906 3413 1 9 . 1 1 58 58 SER HA H 58 4.400 4.400 4.253 0.147 19906 3414 1 9 . 1 1 58 58 SER CA C 58 60.430 60.430 60.507 -0.076 19906 3415 1 9 . 1 1 58 58 SER CB C 58 63.700 63.700 62.999 0.701 19906 3416 1 9 . 1 1 58 58 SER H H 58 9.080 9.080 8.120 0.960 19906 3417 1 9 . 1 1 59 59 VAL N N 59 119.350 119.350 118.730 0.620 19906 3418 1 9 . 1 1 59 59 VAL HA H 59 3.790 3.790 3.414 0.376 19906 3419 1 9 . 1 1 59 59 VAL CA C 59 65.670 65.670 63.730 1.940 19906 3420 1 9 . 1 1 59 59 VAL CB C 59 32.400 32.400 31.333 1.067 19906 3421 1 9 . 1 1 59 59 VAL H H 59 7.570 7.570 7.354 0.216 19906 3422 1 9 . 1 1 60 60 GLY N N 60 104.070 104.070 107.152 -3.082 19906 3423 1 9 . 1 1 60 60 GLY CA C 60 44.430 44.430 45.907 -1.478 19906 3424 1 9 . 1 1 60 60 GLY H H 60 6.120 6.120 7.702 -1.582 19906 3425 1 9 . 1 1 61 61 TYR N N 61 117.690 117.690 119.231 -1.541 19906 3426 1 9 . 1 1 61 61 TYR HA H 61 5.030 5.030 4.880 0.150 19906 3427 1 9 . 1 1 61 61 TYR CA C 61 56.320 56.320 54.658 1.662 19906 3428 1 9 . 1 1 61 61 TYR CB C 61 41.700 41.700 40.098 1.602 19906 3429 1 9 . 1 1 61 61 TYR H H 61 6.080 6.080 7.091 -1.011 19906 3430 1 9 . 1 1 62 62 TYR N N 62 126.650 126.650 120.772 5.878 19906 3431 1 9 . 1 1 62 62 TYR HA H 62 4.440 4.440 4.814 -0.374 19906 3432 1 9 . 1 1 62 62 TYR CA C 62 58.560 58.560 57.703 0.857 19906 3433 1 9 . 1 1 62 62 TYR CB C 62 43.550 43.550 43.004 0.546 19906 3434 1 9 . 1 1 62 62 TYR H H 62 8.440 8.440 8.896 -0.456 19906 3435 1 9 . 1 1 63 63 THR N N 63 122.160 122.160 118.039 4.121 19906 3436 1 9 . 1 1 63 63 THR HA H 63 4.780 4.780 4.666 0.114 19906 3437 1 9 . 1 1 63 63 THR CA C 63 61.610 61.610 60.789 0.821 19906 3438 1 9 . 1 1 63 63 THR CB C 63 69.810 69.810 70.401 -0.591 19906 3439 1 9 . 1 1 63 63 THR H H 63 7.380 7.380 7.150 0.230 19906 3440 1 9 . 1 1 64 64 VAL N N 64 127.940 127.940 123.707 4.233 19906 3441 1 9 . 1 1 64 64 VAL HA H 64 3.660 3.660 4.655 -0.995 19906 3442 1 9 . 1 1 64 64 VAL CA C 64 61.840 61.840 60.695 1.145 19906 3443 1 9 . 1 1 64 64 VAL CB C 64 31.840 31.840 31.917 -0.077 19906 3444 1 9 . 1 1 64 64 VAL H H 64 8.860 8.860 8.356 0.504 19906 3445 1 9 . 1 1 65 65 THR N N 65 116.150 116.150 116.806 -0.656 19906 3446 1 9 . 1 1 65 65 THR HA H 65 4.640 4.640 5.022 -0.382 19906 3447 1 9 . 1 1 65 65 THR CA C 65 59.470 59.470 59.734 -0.264 19906 3448 1 9 . 1 1 65 65 THR CB C 65 71.160 71.160 70.858 0.302 19906 3449 1 9 . 1 1 65 65 THR H H 65 7.290 7.290 8.197 -0.907 19906 3450 1 9 . 1 1 66 66 GLY N N 66 105.560 105.560 109.476 -3.916 19906 3451 1 9 . 1 1 66 66 GLY CA C 66 45.860 45.860 44.924 0.936 19906 3452 1 9 . 1 1 66 66 GLY H H 66 8.450 8.450 8.407 0.043 19906 3453 1 9 . 1 1 67 67 LEU N N 67 119.080 119.080 120.379 -1.299 19906 3454 1 9 . 1 1 67 67 LEU HA H 67 4.180 4.180 4.152 0.028 19906 3455 1 9 . 1 1 67 67 LEU CA C 67 53.380 53.380 52.708 0.673 19906 3456 1 9 . 1 1 67 67 LEU CB C 67 41.630 41.630 41.726 -0.096 19906 3457 1 9 . 1 1 67 67 LEU H H 67 7.850 7.850 7.822 0.028 19906 3458 1 9 . 1 1 68 68 GLU N N 68 120.030 120.030 124.423 -4.393 19906 3459 1 9 . 1 1 68 68 GLU HA H 68 4.920 4.920 4.301 0.619 19906 3460 1 9 . 1 1 68 68 GLU CA C 68 52.510 52.510 54.985 -2.475 19906 3461 1 9 . 1 1 68 68 GLU CB C 68 31.040 31.040 29.033 2.007 19906 3462 1 9 . 1 1 68 68 GLU H H 68 8.500 8.500 8.559 -0.059 19906 3463 1 9 . 1 1 69 69 PRO HA H 69 4.470 4.470 4.411 0.059 19906 3464 1 9 . 1 1 69 69 PRO CA C 69 62.740 62.740 63.031 -0.291 19906 3465 1 9 . 1 1 69 69 PRO CB C 69 31.410 31.410 32.261 -0.851 19906 3466 1 9 . 1 1 70 70 GLY N N 70 106.940 106.940 109.051 -2.111 19906 3467 1 9 . 1 1 70 70 GLY CA C 70 45.830 45.830 45.602 0.228 19906 3468 1 9 . 1 1 70 70 GLY H H 70 8.500 8.500 8.813 -0.313 19906 3469 1 9 . 1 1 71 71 ILE N N 71 120.080 120.080 120.659 -0.579 19906 3470 1 9 . 1 1 71 71 ILE HA H 71 4.080 4.080 4.260 -0.180 19906 3471 1 9 . 1 1 71 71 ILE CA C 71 58.710 58.710 59.990 -1.280 19906 3472 1 9 . 1 1 71 71 ILE CB C 71 40.410 40.410 40.501 -0.091 19906 3473 1 9 . 1 1 71 71 ILE H H 71 7.510 7.510 7.518 -0.008 19906 3474 1 9 . 1 1 72 72 ASP N N 72 124.920 124.920 127.289 -2.369 19906 3475 1 9 . 1 1 72 72 ASP HA H 72 4.930 4.930 4.642 0.288 19906 3476 1 9 . 1 1 72 72 ASP CA C 72 54.260 54.260 53.748 0.512 19906 3477 1 9 . 1 1 72 72 ASP CB C 72 41.120 41.120 41.244 -0.124 19906 3478 1 9 . 1 1 72 72 ASP H H 72 8.190 8.190 8.554 -0.364 19906 3479 1 9 . 1 1 73 73 TYR N N 73 122.440 122.440 125.278 -2.838 19906 3480 1 9 . 1 1 73 73 TYR HA H 73 5.070 5.070 4.764 0.306 19906 3481 1 9 . 1 1 73 73 TYR CA C 73 57.390 57.390 57.789 -0.399 19906 3482 1 9 . 1 1 73 73 TYR CB C 73 40.550 40.550 40.396 0.154 19906 3483 1 9 . 1 1 73 73 TYR H H 73 9.310 9.310 8.345 0.965 19906 3484 1 9 . 1 1 74 74 ASP N N 74 122.980 122.980 124.950 -1.970 19906 3485 1 9 . 1 1 74 74 ASP HA H 74 5.220 5.220 4.893 0.327 19906 3486 1 9 . 1 1 74 74 ASP CA C 74 53.900 53.900 54.102 -0.202 19906 3487 1 9 . 1 1 74 74 ASP CB C 74 42.120 42.120 41.420 0.700 19906 3488 1 9 . 1 1 74 74 ASP H H 74 9.290 9.290 8.844 0.446 19906 3489 1 9 . 1 1 75 75 ILE N N 75 124.270 124.270 119.921 4.349 19906 3490 1 9 . 1 1 75 75 ILE HA H 75 5.470 5.470 4.954 0.516 19906 3491 1 9 . 1 1 75 75 ILE CA C 75 58.400 58.400 58.381 0.019 19906 3492 1 9 . 1 1 75 75 ILE CB C 75 40.900 40.900 41.095 -0.195 19906 3493 1 9 . 1 1 75 75 ILE H H 75 8.810 8.810 8.297 0.513 19906 3494 1 9 . 1 1 76 76 SER N N 76 121.300 121.300 117.218 4.082 19906 3495 1 9 . 1 1 76 76 SER HA H 76 5.800 5.800 4.750 1.050 19906 3496 1 9 . 1 1 76 76 SER CA C 76 56.340 56.340 58.231 -1.891 19906 3497 1 9 . 1 1 76 76 SER CB C 76 66.180 66.180 65.116 1.064 19906 3498 1 9 . 1 1 76 76 SER H H 76 8.760 8.760 8.831 -0.071 19906 3499 1 9 . 1 1 77 77 VAL N N 77 124.740 124.740 125.276 -0.536 19906 3500 1 9 . 1 1 77 77 VAL HA H 77 4.760 4.760 4.151 0.609 19906 3501 1 9 . 1 1 77 77 VAL CA C 77 61.190 61.190 61.657 -0.467 19906 3502 1 9 . 1 1 77 77 VAL CB C 77 33.270 33.270 31.971 1.299 19906 3503 1 9 . 1 1 77 77 VAL H H 77 9.420 9.420 8.521 0.899 19906 3504 1 9 . 1 1 78 78 ILE N N 78 126.300 126.300 129.307 -3.007 19906 3505 1 9 . 1 1 78 78 ILE HA H 78 4.710 4.710 4.218 0.492 19906 3506 1 9 . 1 1 78 78 ILE CA C 78 61.160 61.160 60.522 0.638 19906 3507 1 9 . 1 1 78 78 ILE CB C 78 41.050 41.050 39.088 1.962 19906 3508 1 9 . 1 1 78 78 ILE H H 78 9.370 9.370 8.156 1.214 19906 3509 1 9 . 1 1 79 79 THR N N 79 122.350 122.350 121.216 1.134 19906 3510 1 9 . 1 1 79 79 THR HA H 79 4.280 4.280 4.568 -0.288 19906 3511 1 9 . 1 1 79 79 THR CA C 79 64.260 64.260 60.938 3.322 19906 3512 1 9 . 1 1 79 79 THR CB C 79 69.130 69.130 69.745 -0.615 19906 3513 1 9 . 1 1 79 79 THR H H 79 8.550 8.550 8.361 0.189 19906 3514 1 9 . 1 1 80 80 LEU N N 80 128.900 128.900 130.542 -1.642 19906 3515 1 9 . 1 1 80 80 LEU HA H 80 4.730 4.730 4.666 0.064 19906 3516 1 9 . 1 1 80 80 LEU CA C 80 54.060 54.060 53.830 0.230 19906 3517 1 9 . 1 1 80 80 LEU CB C 80 41.470 41.470 43.422 -1.952 19906 3518 1 9 . 1 1 80 80 LEU H H 80 8.660 8.660 8.803 -0.143 19906 3519 1 9 . 1 1 81 81 ILE N N 81 121.640 121.640 119.435 2.205 19906 3520 1 9 . 1 1 81 81 ILE HA H 81 4.870 4.870 4.356 0.513 19906 3521 1 9 . 1 1 81 81 ILE CA C 81 59.300 59.300 59.955 -0.655 19906 3522 1 9 . 1 1 81 81 ILE CB C 81 40.510 40.510 41.480 -0.970 19906 3523 1 9 . 1 1 81 81 ILE H H 81 8.350 8.350 8.107 0.243 19906 3524 1 9 . 1 1 82 82 ASN N N 82 123.240 123.240 123.366 -0.126 19906 3525 1 9 . 1 1 82 82 ASN HA H 82 4.640 4.640 4.557 0.083 19906 3526 1 9 . 1 1 82 82 ASN CA C 82 53.450 53.450 54.490 -1.040 19906 3527 1 9 . 1 1 82 82 ASN CB C 82 38.940 38.940 38.948 -0.008 19906 3528 1 9 . 1 1 82 82 ASN H H 82 8.820 8.820 8.682 0.138 19906 3529 1 9 . 1 1 83 83 GLY N N 83 112.680 112.680 108.986 3.694 19906 3530 1 9 . 1 1 83 83 GLY CA C 83 45.420 45.420 45.320 0.100 19906 3531 1 9 . 1 1 83 83 GLY H H 83 8.630 8.630 8.451 0.179 19906 3532 1 9 . 1 1 84 84 GLY N N 84 108.560 108.560 109.272 -0.712 19906 3533 1 9 . 1 1 84 84 GLY CA C 84 45.190 45.190 45.143 0.047 19906 3534 1 9 . 1 1 84 84 GLY H H 84 8.280 8.280 8.454 -0.174 19906 3535 1 9 . 1 1 85 85 GLU N N 85 120.690 120.690 123.678 -2.988 19906 3536 1 9 . 1 1 85 85 GLU HA H 85 4.320 4.320 4.485 -0.165 19906 3537 1 9 . 1 1 85 85 GLU CA C 85 56.480 56.480 55.796 0.684 19906 3538 1 9 . 1 1 85 85 GLU CB C 85 30.480 30.480 30.929 -0.449 19906 3539 1 9 . 1 1 85 85 GLU H H 85 8.460 8.460 8.325 0.135 19906 3540 1 9 . 1 1 86 86 SER N N 86 116.860 116.860 117.055 -0.195 19906 3541 1 9 . 1 1 86 86 SER HA H 86 4.430 4.430 4.366 0.064 19906 3542 1 9 . 1 1 86 86 SER CA C 86 57.920 57.920 58.806 -0.886 19906 3543 1 9 . 1 1 86 86 SER CB C 86 63.720 63.720 63.731 -0.011 19906 3544 1 9 . 1 1 86 86 SER H H 86 8.350 8.350 8.499 -0.149 19906 3545 1 9 . 1 1 87 87 ALA N N 87 126.890 126.890 126.013 0.877 19906 3546 1 9 . 1 1 87 87 ALA HA H 87 4.580 4.580 4.177 0.403 19906 3547 1 9 . 1 1 87 87 ALA CA C 87 50.450 50.450 51.547 -1.097 19906 3548 1 9 . 1 1 87 87 ALA CB C 87 18.110 18.110 17.848 0.262 19906 3549 1 9 . 1 1 87 87 ALA H H 87 8.240 8.240 8.398 -0.158 19906 3550 1 9 . 1 1 88 88 PRO HA H 88 4.470 4.470 4.437 0.033 19906 3551 1 9 . 1 1 88 88 PRO CA C 88 62.960 62.960 62.656 0.304 19906 3552 1 9 . 1 1 88 88 PRO CB C 88 31.460 31.460 32.501 -1.041 19906 3553 1 9 . 1 1 89 89 THR N N 89 114.280 114.280 114.979 -0.699 19906 3554 1 9 . 1 1 89 89 THR HA H 89 4.340 4.340 4.370 -0.030 19906 3555 1 9 . 1 1 89 89 THR CA C 89 62.320 62.320 61.834 0.486 19906 3556 1 9 . 1 1 89 89 THR CB C 89 69.530 69.530 69.719 -0.189 19906 3557 1 9 . 1 1 89 89 THR H H 89 8.270 8.270 8.109 0.161 19906 3558 1 9 . 1 1 90 90 THR N N 90 116.290 116.290 117.370 -1.080 19906 3559 1 9 . 1 1 90 90 THR HA H 90 4.330 4.330 4.506 -0.176 19906 3560 1 9 . 1 1 90 90 THR CA C 90 61.890 61.890 61.720 0.170 19906 3561 1 9 . 1 1 90 90 THR CB C 90 69.500 69.500 70.512 -1.012 19906 3562 1 9 . 1 1 90 90 THR H H 90 8.090 8.090 8.101 -0.011 19906 3563 1 9 . 1 1 91 91 LEU N N 91 124.660 124.660 126.725 -2.065 19906 3564 1 9 . 1 1 91 91 LEU HA H 91 4.410 4.410 4.422 -0.012 19906 3565 1 9 . 1 1 91 91 LEU CA C 91 55.590 55.590 54.919 0.671 19906 3566 1 9 . 1 1 91 91 LEU CB C 91 41.600 41.600 42.456 -0.856 19906 3567 1 9 . 1 1 91 91 LEU H H 91 8.290 8.290 8.422 -0.132 19906 3568 1 9 . 1 1 92 92 THR N N 92 115.030 115.030 115.305 -0.275 19906 3569 1 9 . 1 1 92 92 THR HA H 92 4.300 4.300 4.390 -0.090 19906 3570 1 9 . 1 1 92 92 THR CA C 92 61.890 61.890 60.641 1.249 19906 3571 1 9 . 1 1 92 92 THR CB C 92 69.500 69.500 70.006 -0.506 19906 3572 1 9 . 1 1 92 92 THR H H 92 8.100 8.100 8.120 -0.020 19906 3573 1 9 . 1 1 93 93 GLN N N 93 123.200 123.200 120.830 2.370 19906 3574 1 9 . 1 1 93 93 GLN HA H 93 4.350 4.350 4.171 0.179 19906 3575 1 9 . 1 1 93 93 GLN CA C 93 55.720 55.720 56.414 -0.694 19906 3576 1 9 . 1 1 93 93 GLN CB C 93 29.050 29.050 27.662 1.389 19906 3577 1 9 . 1 1 93 93 GLN H H 93 8.380 8.380 8.565 -0.185 19906 3578 1 9 . 1 1 94 94 GLN N N 94 122.720 122.720 122.400 0.320 19906 3579 1 9 . 1 1 94 94 GLN HA H 94 4.400 4.400 4.100 0.300 19906 3580 1 9 . 1 1 94 94 GLN CA C 94 55.780 55.780 57.684 -1.904 19906 3581 1 9 . 1 1 94 94 GLN CB C 94 29.100 29.100 29.324 -0.224 19906 3582 1 9 . 1 1 94 94 GLN H H 94 8.480 8.480 8.532 -0.052 19906 3583 1 10 . 1 1 4 4 SER HA H 4 4.400 4.400 4.588 -0.188 19906 3584 1 10 . 1 1 4 4 SER CA C 4 58.290 58.290 57.634 0.656 19906 3585 1 10 . 1 1 4 4 SER CB C 4 63.790 63.790 65.916 -2.126 19906 3586 1 10 . 1 1 5 5 GLU N N 5 121.960 121.960 125.824 -3.864 19906 3587 1 10 . 1 1 5 5 GLU HA H 5 4.410 4.410 4.707 -0.297 19906 3588 1 10 . 1 1 5 5 GLU CA C 5 55.610 55.610 55.913 -0.303 19906 3589 1 10 . 1 1 5 5 GLU CB C 5 31.950 31.950 29.585 2.365 19906 3590 1 10 . 1 1 5 5 GLU H H 5 8.450 8.450 8.816 -0.366 19906 3591 1 10 . 1 1 6 6 VAL N N 6 122.170 122.170 124.247 -2.077 19906 3592 1 10 . 1 1 6 6 VAL HA H 6 4.070 4.070 4.191 -0.121 19906 3593 1 10 . 1 1 6 6 VAL CA C 6 56.380 56.380 60.311 -3.931 19906 3594 1 10 . 1 1 6 6 VAL CB C 6 29.500 29.500 31.595 -2.095 19906 3595 1 10 . 1 1 6 6 VAL H H 6 8.260 8.260 7.944 0.316 19906 3596 1 10 . 1 1 9 9 LEU N N 9 123.830 123.830 124.265 -0.435 19906 3597 1 10 . 1 1 9 9 LEU HA H 9 4.490 4.490 4.604 -0.114 19906 3598 1 10 . 1 1 9 9 LEU CA C 9 54.820 54.820 54.592 0.228 19906 3599 1 10 . 1 1 9 9 LEU CB C 9 41.930 41.930 42.097 -0.167 19906 3600 1 10 . 1 1 9 9 LEU H H 9 7.770 7.770 7.843 -0.073 19906 3601 1 10 . 1 1 11 11 ASP HA H 11 4.730 4.730 4.788 -0.058 19906 3602 1 10 . 1 1 11 11 ASP CA C 11 53.060 53.060 53.740 -0.680 19906 3603 1 10 . 1 1 11 11 ASP CB C 11 38.110 38.110 42.019 -3.909 19906 3604 1 10 . 1 1 12 12 LEU N N 12 122.730 122.730 120.899 1.831 19906 3605 1 10 . 1 1 12 12 LEU HA H 12 4.660 4.660 4.463 0.197 19906 3606 1 10 . 1 1 12 12 LEU CA C 12 55.130 55.130 54.889 0.241 19906 3607 1 10 . 1 1 12 12 LEU CB C 12 43.390 43.390 42.136 1.254 19906 3608 1 10 . 1 1 12 12 LEU H H 12 7.420 7.420 8.406 -0.986 19906 3609 1 10 . 1 1 13 13 SER N N 13 120.760 120.760 114.577 6.183 19906 3610 1 10 . 1 1 13 13 SER HA H 13 4.270 4.270 4.784 -0.514 19906 3611 1 10 . 1 1 13 13 SER CA C 13 56.880 56.880 57.582 -0.702 19906 3612 1 10 . 1 1 13 13 SER CB C 13 65.890 65.890 65.826 0.063 19906 3613 1 10 . 1 1 13 13 SER H H 13 9.020 9.020 8.052 0.968 19906 3614 1 10 . 1 1 14 14 PHE N N 14 119.920 119.920 119.913 0.007 19906 3615 1 10 . 1 1 14 14 PHE HA H 14 5.510 5.510 4.958 0.552 19906 3616 1 10 . 1 1 14 14 PHE CA C 14 56.760 56.760 56.997 -0.237 19906 3617 1 10 . 1 1 14 14 PHE CB C 14 39.930 39.930 41.008 -1.078 19906 3618 1 10 . 1 1 14 14 PHE H H 14 8.370 8.370 8.722 -0.352 19906 3619 1 10 . 1 1 15 15 VAL N N 15 117.820 117.820 116.925 0.895 19906 3620 1 10 . 1 1 15 15 VAL HA H 15 4.680 4.680 4.559 0.121 19906 3621 1 10 . 1 1 15 15 VAL CA C 15 58.880 58.880 60.788 -1.908 19906 3622 1 10 . 1 1 15 15 VAL CB C 15 36.900 36.900 35.319 1.581 19906 3623 1 10 . 1 1 15 15 VAL H H 15 9.100 9.100 8.420 0.680 19906 3624 1 10 . 1 1 16 16 ASP N N 16 116.850 116.850 117.904 -1.054 19906 3625 1 10 . 1 1 16 16 ASP HA H 16 4.190 4.190 4.296 -0.106 19906 3626 1 10 . 1 1 16 16 ASP CA C 16 54.550 54.550 55.606 -1.056 19906 3627 1 10 . 1 1 16 16 ASP CB C 16 38.920 38.920 39.667 -0.747 19906 3628 1 10 . 1 1 16 16 ASP H H 16 8.520 8.520 8.815 -0.295 19906 3629 1 10 . 1 1 17 17 ILE N N 17 118.600 118.600 119.141 -0.541 19906 3630 1 10 . 1 1 17 17 ILE HA H 17 4.150 4.150 3.977 0.173 19906 3631 1 10 . 1 1 17 17 ILE CA C 17 63.190 63.190 62.887 0.303 19906 3632 1 10 . 1 1 17 17 ILE CB C 17 37.770 37.770 38.415 -0.645 19906 3633 1 10 . 1 1 17 17 ILE H H 17 8.150 8.150 7.919 0.231 19906 3634 1 10 . 1 1 18 18 THR N N 18 122.160 122.160 120.322 1.838 19906 3635 1 10 . 1 1 18 18 THR HA H 18 4.910 4.910 4.593 0.317 19906 3636 1 10 . 1 1 18 18 THR CA C 18 60.570 60.570 60.611 -0.041 19906 3637 1 10 . 1 1 18 18 THR CB C 18 70.600 70.600 71.002 -0.402 19906 3638 1 10 . 1 1 18 18 THR H H 18 8.740 8.740 8.309 0.431 19906 3639 1 10 . 1 1 19 19 ASP N N 19 115.600 115.600 119.684 -4.084 19906 3640 1 10 . 1 1 19 19 ASP HA H 19 4.480 4.480 4.615 -0.135 19906 3641 1 10 . 1 1 19 19 ASP CA C 19 54.880 54.880 55.706 -0.826 19906 3642 1 10 . 1 1 19 19 ASP CB C 19 40.430 40.430 40.341 0.089 19906 3643 1 10 . 1 1 19 19 ASP H H 19 8.450 8.450 8.590 -0.140 19906 3644 1 10 . 1 1 20 20 SER N N 20 108.500 108.500 114.703 -6.203 19906 3645 1 10 . 1 1 20 20 SER HA H 20 4.620 4.620 5.030 -0.410 19906 3646 1 10 . 1 1 20 20 SER CA C 20 57.660 57.660 57.050 0.610 19906 3647 1 10 . 1 1 20 20 SER CB C 20 66.090 66.090 63.967 2.123 19906 3648 1 10 . 1 1 20 20 SER H H 20 8.120 8.120 7.788 0.332 19906 3649 1 10 . 1 1 21 21 SER N N 21 116.590 116.590 113.287 3.303 19906 3650 1 10 . 1 1 21 21 SER HA H 21 5.230 5.230 5.194 0.036 19906 3651 1 10 . 1 1 21 21 SER CA C 21 56.730 56.730 57.166 -0.436 19906 3652 1 10 . 1 1 21 21 SER CB C 21 66.730 66.730 66.101 0.629 19906 3653 1 10 . 1 1 21 21 SER H H 21 7.530 7.530 8.351 -0.821 19906 3654 1 10 . 1 1 22 22 ILE N N 22 113.850 113.850 113.415 0.435 19906 3655 1 10 . 1 1 22 22 ILE HA H 22 4.490 4.490 4.608 -0.118 19906 3656 1 10 . 1 1 22 22 ILE CA C 22 60.320 60.320 59.868 0.452 19906 3657 1 10 . 1 1 22 22 ILE CB C 22 42.650 42.650 42.446 0.204 19906 3658 1 10 . 1 1 22 22 ILE H H 22 8.210 8.210 8.047 0.163 19906 3659 1 10 . 1 1 23 23 GLY N N 23 112.950 112.950 111.509 1.441 19906 3660 1 10 . 1 1 23 23 GLY CA C 23 44.110 44.110 43.916 0.194 19906 3661 1 10 . 1 1 23 23 GLY H H 23 8.300 8.300 8.462 -0.162 19906 3662 1 10 . 1 1 24 24 LEU N N 24 123.740 123.740 125.085 -1.345 19906 3663 1 10 . 1 1 24 24 LEU HA H 24 4.820 4.820 4.172 0.648 19906 3664 1 10 . 1 1 24 24 LEU CA C 24 53.930 53.930 55.766 -1.836 19906 3665 1 10 . 1 1 24 24 LEU CB C 24 42.470 42.470 42.378 0.092 19906 3666 1 10 . 1 1 24 24 LEU H H 24 8.820 8.820 7.582 1.238 19906 3667 1 10 . 1 1 25 25 ARG N N 25 119.980 119.980 124.449 -4.469 19906 3668 1 10 . 1 1 25 25 ARG HA H 25 4.890 4.890 4.788 0.102 19906 3669 1 10 . 1 1 25 25 ARG CA C 25 54.040 54.040 55.069 -1.029 19906 3670 1 10 . 1 1 25 25 ARG CB C 25 33.850 33.850 34.010 -0.160 19906 3671 1 10 . 1 1 25 25 ARG H H 25 8.570 8.570 7.964 0.606 19906 3672 1 10 . 1 1 26 26 TRP N N 26 122.480 122.480 124.767 -2.287 19906 3673 1 10 . 1 1 26 26 TRP HA H 26 4.840 4.840 4.983 -0.143 19906 3674 1 10 . 1 1 26 26 TRP CA C 26 56.790 56.790 55.906 0.884 19906 3675 1 10 . 1 1 26 26 TRP CB C 26 31.460 31.460 31.628 -0.168 19906 3676 1 10 . 1 1 26 26 TRP H H 26 7.960 7.960 7.887 0.073 19906 3677 1 10 . 1 1 27 27 THR N N 27 119.820 119.820 117.509 2.311 19906 3678 1 10 . 1 1 27 27 THR HA H 27 4.750 4.750 4.673 0.077 19906 3679 1 10 . 1 1 27 27 THR CA C 27 60.690 60.690 59.475 1.215 19906 3680 1 10 . 1 1 27 27 THR CB C 27 68.460 68.460 68.826 -0.366 19906 3681 1 10 . 1 1 27 27 THR H H 27 9.780 9.780 8.311 1.469 19906 3682 1 10 . 1 1 28 28 PRO HA H 28 4.470 4.470 4.432 0.038 19906 3683 1 10 . 1 1 28 28 PRO CA C 28 63.260 63.260 63.250 0.010 19906 3684 1 10 . 1 1 28 28 PRO CB C 28 31.980 31.980 32.243 -0.263 19906 3685 1 10 . 1 1 29 29 LEU N N 29 124.220 124.220 121.859 2.361 19906 3686 1 10 . 1 1 29 29 LEU HA H 29 4.490 4.490 4.395 0.095 19906 3687 1 10 . 1 1 29 29 LEU CA C 29 54.150 54.150 54.867 -0.716 19906 3688 1 10 . 1 1 29 29 LEU CB C 29 43.040 43.040 42.075 0.965 19906 3689 1 10 . 1 1 29 29 LEU H H 29 8.570 8.570 8.321 0.249 19906 3690 1 10 . 1 1 30 30 ASN N N 30 119.950 119.950 120.764 -0.814 19906 3691 1 10 . 1 1 30 30 ASN HA H 30 4.700 4.700 4.441 0.259 19906 3692 1 10 . 1 1 30 30 ASN CA C 30 53.570 53.570 55.513 -1.943 19906 3693 1 10 . 1 1 30 30 ASN CB C 30 38.340 38.340 38.604 -0.264 19906 3694 1 10 . 1 1 30 30 ASN H H 30 8.630 8.630 8.967 -0.337 19906 3695 1 10 . 1 1 31 31 SER N N 31 114.290 114.290 113.451 0.839 19906 3696 1 10 . 1 1 31 31 SER HA H 31 4.560 4.560 4.401 0.159 19906 3697 1 10 . 1 1 31 31 SER CA C 31 57.500 57.500 59.723 -2.223 19906 3698 1 10 . 1 1 31 31 SER CB C 31 63.480 63.480 63.328 0.152 19906 3699 1 10 . 1 1 31 31 SER H H 31 8.090 8.090 8.512 -0.422 19906 3700 1 10 . 1 1 32 32 SER HA H 32 4.560 4.560 4.415 0.145 19906 3701 1 10 . 1 1 32 32 SER CA C 32 58.140 58.140 59.277 -1.137 19906 3702 1 10 . 1 1 32 32 SER CB C 32 63.730 63.730 64.056 -0.326 19906 3703 1 10 . 1 1 33 33 THR N N 33 114.160 114.160 118.401 -4.241 19906 3704 1 10 . 1 1 33 33 THR HA H 33 4.300 4.300 4.230 0.070 19906 3705 1 10 . 1 1 33 33 THR CA C 33 63.620 63.620 62.929 0.691 19906 3706 1 10 . 1 1 33 33 THR CB C 33 69.530 69.530 69.467 0.063 19906 3707 1 10 . 1 1 33 33 THR H H 33 8.000 8.000 8.265 -0.265 19906 3708 1 10 . 1 1 34 34 ILE N N 34 121.090 121.090 124.963 -3.873 19906 3709 1 10 . 1 1 34 34 ILE HA H 34 4.300 4.300 4.246 0.054 19906 3710 1 10 . 1 1 34 34 ILE CA C 34 61.920 61.920 60.005 1.915 19906 3711 1 10 . 1 1 34 34 ILE CB C 34 38.080 38.080 35.670 2.410 19906 3712 1 10 . 1 1 34 34 ILE H H 34 7.980 7.980 8.407 -0.427 19906 3713 1 10 . 1 1 35 35 ILE N N 35 126.230 126.230 121.715 4.515 19906 3714 1 10 . 1 1 35 35 ILE HA H 35 4.220 4.220 4.368 -0.148 19906 3715 1 10 . 1 1 35 35 ILE CA C 35 61.720 61.720 59.343 2.377 19906 3716 1 10 . 1 1 35 35 ILE CB C 35 38.790 38.790 40.976 -2.186 19906 3717 1 10 . 1 1 35 35 ILE H H 35 8.810 8.810 7.449 1.361 19906 3718 1 10 . 1 1 36 36 GLY CA C 36 45.520 45.520 45.670 -0.150 19906 3719 1 10 . 1 1 37 37 TYR N N 37 120.400 120.400 125.044 -4.644 19906 3720 1 10 . 1 1 37 37 TYR HA H 37 5.070 5.070 4.483 0.587 19906 3721 1 10 . 1 1 37 37 TYR CA C 37 57.930 57.930 58.282 -0.352 19906 3722 1 10 . 1 1 37 37 TYR CB C 37 38.950 38.950 40.404 -1.454 19906 3723 1 10 . 1 1 37 37 TYR H H 37 7.340 7.340 7.919 -0.579 19906 3724 1 10 . 1 1 38 38 ARG HA H 38 5.150 5.150 4.829 0.321 19906 3725 1 10 . 1 1 38 38 ARG CA C 38 54.450 54.450 54.523 -0.073 19906 3726 1 10 . 1 1 38 38 ARG CB C 38 31.530 31.530 33.395 -1.865 19906 3727 1 10 . 1 1 39 39 ILE N N 39 129.570 129.570 124.443 5.127 19906 3728 1 10 . 1 1 39 39 ILE HA H 39 5.060 5.060 4.477 0.583 19906 3729 1 10 . 1 1 39 39 ILE CA C 39 60.030 60.030 59.974 0.056 19906 3730 1 10 . 1 1 39 39 ILE CB C 39 40.780 40.780 38.937 1.843 19906 3731 1 10 . 1 1 39 39 ILE H H 39 9.040 9.040 7.972 1.068 19906 3732 1 10 . 1 1 40 40 THR N N 40 120.430 120.430 122.494 -2.064 19906 3733 1 10 . 1 1 40 40 THR HA H 40 5.210 5.210 4.599 0.611 19906 3734 1 10 . 1 1 40 40 THR CA C 40 61.130 61.130 61.717 -0.587 19906 3735 1 10 . 1 1 40 40 THR CB C 40 71.090 71.090 70.395 0.695 19906 3736 1 10 . 1 1 40 40 THR H H 40 8.880 8.880 8.002 0.878 19906 3737 1 10 . 1 1 41 41 VAL HA H 41 5.030 5.030 4.529 0.501 19906 3738 1 10 . 1 1 41 41 VAL CA C 41 61.280 61.280 60.105 1.175 19906 3739 1 10 . 1 1 41 41 VAL CB C 41 33.800 33.800 34.742 -0.942 19906 3740 1 10 . 1 1 41 41 VAL H H 41 8.820 8.820 8.516 0.304 19906 3741 1 10 . 1 1 42 42 VAL N N 42 127.670 127.670 127.276 0.394 19906 3742 1 10 . 1 1 42 42 VAL HA H 42 4.650 4.650 4.354 0.296 19906 3743 1 10 . 1 1 42 42 VAL CA C 42 60.320 60.320 60.350 -0.030 19906 3744 1 10 . 1 1 42 42 VAL CB C 42 35.800 35.800 36.230 -0.430 19906 3745 1 10 . 1 1 42 42 VAL H H 42 9.100 9.100 9.229 -0.129 19906 3746 1 10 . 1 1 43 43 ALA N N 43 131.340 131.340 128.733 2.607 19906 3747 1 10 . 1 1 43 43 ALA HA H 43 4.410 4.410 4.044 0.366 19906 3748 1 10 . 1 1 43 43 ALA CA C 43 52.420 52.420 50.944 1.476 19906 3749 1 10 . 1 1 43 43 ALA CB C 43 18.750 18.750 19.807 -1.057 19906 3750 1 10 . 1 1 43 43 ALA H H 43 9.420 9.420 8.485 0.935 19906 3751 1 10 . 1 1 44 44 ALA N N 44 126.040 126.040 125.726 0.314 19906 3752 1 10 . 1 1 44 44 ALA HA H 44 4.120 4.120 4.291 -0.171 19906 3753 1 10 . 1 1 44 44 ALA CA C 44 53.790 53.790 53.608 0.182 19906 3754 1 10 . 1 1 44 44 ALA CB C 44 18.680 18.680 19.686 -1.006 19906 3755 1 10 . 1 1 44 44 ALA H H 44 8.260 8.260 7.887 0.373 19906 3756 1 10 . 1 1 45 45 GLY CA C 45 45.620 45.620 45.415 0.205 19906 3757 1 10 . 1 1 45 45 GLY H H 45 8.700 8.700 8.100 0.600 19906 3758 1 10 . 1 1 46 46 GLU N N 46 119.650 119.650 119.634 0.016 19906 3759 1 10 . 1 1 46 46 GLU HA H 46 4.470 4.470 4.408 0.062 19906 3760 1 10 . 1 1 46 46 GLU CA C 46 55.870 55.870 55.206 0.663 19906 3761 1 10 . 1 1 46 46 GLU CB C 46 30.520 30.520 30.144 0.376 19906 3762 1 10 . 1 1 46 46 GLU H H 46 8.110 8.110 7.504 0.606 19906 3763 1 10 . 1 1 47 47 GLY N N 47 107.160 107.160 111.670 -4.510 19906 3764 1 10 . 1 1 47 47 GLY CA C 47 45.910 45.910 45.946 -0.036 19906 3765 1 10 . 1 1 47 47 GLY H H 47 8.400 8.400 8.662 -0.262 19906 3766 1 10 . 1 1 48 48 ILE N N 48 120.010 120.010 121.985 -1.975 19906 3767 1 10 . 1 1 48 48 ILE HA H 48 4.620 4.620 4.287 0.333 19906 3768 1 10 . 1 1 48 48 ILE CA C 48 58.500 58.500 58.290 0.210 19906 3769 1 10 . 1 1 48 48 ILE CB C 48 39.400 39.400 39.620 -0.220 19906 3770 1 10 . 1 1 48 48 ILE H H 48 7.440 7.440 7.383 0.057 19906 3771 1 10 . 1 1 49 49 PRO HA H 49 4.530 4.530 4.573 -0.043 19906 3772 1 10 . 1 1 49 49 PRO CA C 49 63.590 63.590 61.882 1.708 19906 3773 1 10 . 1 1 49 49 PRO CB C 49 31.880 31.880 32.313 -0.433 19906 3774 1 10 . 1 1 50 50 ILE N N 50 122.120 122.120 120.252 1.868 19906 3775 1 10 . 1 1 50 50 ILE HA H 50 4.150 4.150 4.054 0.096 19906 3776 1 10 . 1 1 50 50 ILE CA C 50 63.310 63.310 61.153 2.157 19906 3777 1 10 . 1 1 50 50 ILE CB C 50 38.020 38.020 38.512 -0.492 19906 3778 1 10 . 1 1 50 50 ILE H H 50 8.720 8.720 7.926 0.794 19906 3779 1 10 . 1 1 51 51 PHE HA H 51 4.770 4.770 4.292 0.478 19906 3780 1 10 . 1 1 51 51 PHE CA C 51 57.900 57.900 58.606 -0.706 19906 3781 1 10 . 1 1 51 51 PHE CB C 51 41.870 41.870 39.532 2.337 19906 3782 1 10 . 1 1 52 52 GLU HA H 52 5.350 5.350 4.232 1.118 19906 3783 1 10 . 1 1 52 52 GLU CA C 52 55.140 55.140 55.799 -0.659 19906 3784 1 10 . 1 1 52 52 GLU CB C 52 32.030 32.030 31.297 0.733 19906 3785 1 10 . 1 1 53 53 ASP N N 53 122.750 122.750 121.731 1.019 19906 3786 1 10 . 1 1 53 53 ASP HA H 53 5.000 5.000 4.858 0.142 19906 3787 1 10 . 1 1 53 53 ASP CA C 53 52.950 52.950 53.036 -0.086 19906 3788 1 10 . 1 1 53 53 ASP CB C 53 44.770 44.770 44.569 0.201 19906 3789 1 10 . 1 1 53 53 ASP H H 53 8.850 8.850 7.843 1.007 19906 3790 1 10 . 1 1 54 54 PHE N N 54 121.100 121.100 118.213 2.887 19906 3791 1 10 . 1 1 54 54 PHE HA H 54 5.380 5.380 5.279 0.101 19906 3792 1 10 . 1 1 54 54 PHE CA C 54 56.180 56.180 56.372 -0.192 19906 3793 1 10 . 1 1 54 54 PHE CB C 54 42.110 42.110 41.202 0.909 19906 3794 1 10 . 1 1 54 54 PHE H H 54 8.770 8.770 8.613 0.157 19906 3795 1 10 . 1 1 55 55 VAL N N 55 125.760 125.760 123.864 1.896 19906 3796 1 10 . 1 1 55 55 VAL HA H 55 4.320 4.320 4.509 -0.189 19906 3797 1 10 . 1 1 55 55 VAL CA C 55 59.140 59.140 59.272 -0.132 19906 3798 1 10 . 1 1 55 55 VAL CB C 55 34.940 34.940 36.135 -1.195 19906 3799 1 10 . 1 1 55 55 VAL H H 55 8.290 8.290 8.309 -0.019 19906 3800 1 10 . 1 1 56 56 ASP N N 56 127.100 127.100 128.100 -1.000 19906 3801 1 10 . 1 1 56 56 ASP HA H 56 4.560 4.560 4.603 -0.043 19906 3802 1 10 . 1 1 56 56 ASP CA C 56 54.980 54.980 55.092 -0.112 19906 3803 1 10 . 1 1 56 56 ASP CB C 56 42.730 42.730 41.504 1.226 19906 3804 1 10 . 1 1 56 56 ASP H H 56 8.460 8.460 8.677 -0.217 19906 3805 1 10 . 1 1 57 57 SER N N 57 119.630 119.630 118.090 1.540 19906 3806 1 10 . 1 1 57 57 SER HA H 57 4.330 4.330 4.526 -0.196 19906 3807 1 10 . 1 1 57 57 SER CA C 57 60.630 60.630 61.082 -0.452 19906 3808 1 10 . 1 1 57 57 SER CB C 57 62.680 62.680 63.622 -0.942 19906 3809 1 10 . 1 1 57 57 SER H H 57 8.260 8.260 8.787 -0.527 19906 3810 1 10 . 1 1 58 58 SER N N 58 117.030 117.030 114.227 2.803 19906 3811 1 10 . 1 1 58 58 SER HA H 58 4.400 4.400 4.343 0.057 19906 3812 1 10 . 1 1 58 58 SER CA C 58 60.430 60.430 60.789 -0.359 19906 3813 1 10 . 1 1 58 58 SER CB C 58 63.700 63.700 62.920 0.780 19906 3814 1 10 . 1 1 58 58 SER H H 58 9.080 9.080 8.107 0.973 19906 3815 1 10 . 1 1 59 59 VAL N N 59 119.350 119.350 119.703 -0.353 19906 3816 1 10 . 1 1 59 59 VAL HA H 59 3.790 3.790 3.879 -0.089 19906 3817 1 10 . 1 1 59 59 VAL CA C 59 65.670 65.670 64.101 1.569 19906 3818 1 10 . 1 1 59 59 VAL CB C 59 32.400 32.400 32.088 0.312 19906 3819 1 10 . 1 1 59 59 VAL H H 59 7.570 7.570 7.383 0.187 19906 3820 1 10 . 1 1 60 60 GLY N N 60 104.070 104.070 104.501 -0.431 19906 3821 1 10 . 1 1 60 60 GLY CA C 60 44.430 44.430 45.567 -1.137 19906 3822 1 10 . 1 1 60 60 GLY H H 60 6.120 6.120 7.607 -1.487 19906 3823 1 10 . 1 1 61 61 TYR N N 61 117.690 117.690 117.338 0.352 19906 3824 1 10 . 1 1 61 61 TYR HA H 61 5.030 5.030 4.623 0.407 19906 3825 1 10 . 1 1 61 61 TYR CA C 61 56.320 56.320 56.203 0.117 19906 3826 1 10 . 1 1 61 61 TYR CB C 61 41.700 41.700 41.346 0.354 19906 3827 1 10 . 1 1 61 61 TYR H H 61 6.080 6.080 7.279 -1.199 19906 3828 1 10 . 1 1 62 62 TYR N N 62 126.650 126.650 125.619 1.031 19906 3829 1 10 . 1 1 62 62 TYR HA H 62 4.440 4.440 4.559 -0.119 19906 3830 1 10 . 1 1 62 62 TYR CA C 62 58.560 58.560 57.429 1.131 19906 3831 1 10 . 1 1 62 62 TYR CB C 62 43.550 43.550 42.630 0.920 19906 3832 1 10 . 1 1 62 62 TYR H H 62 8.440 8.440 7.655 0.785 19906 3833 1 10 . 1 1 63 63 THR N N 63 122.160 122.160 117.599 4.561 19906 3834 1 10 . 1 1 63 63 THR HA H 63 4.780 4.780 4.766 0.014 19906 3835 1 10 . 1 1 63 63 THR CA C 63 61.610 61.610 60.797 0.812 19906 3836 1 10 . 1 1 63 63 THR CB C 63 69.810 69.810 71.159 -1.349 19906 3837 1 10 . 1 1 63 63 THR H H 63 7.380 7.380 6.946 0.434 19906 3838 1 10 . 1 1 64 64 VAL N N 64 127.940 127.940 123.697 4.243 19906 3839 1 10 . 1 1 64 64 VAL HA H 64 3.660 3.660 4.557 -0.897 19906 3840 1 10 . 1 1 64 64 VAL CA C 64 61.840 61.840 60.519 1.321 19906 3841 1 10 . 1 1 64 64 VAL CB C 64 31.840 31.840 32.253 -0.413 19906 3842 1 10 . 1 1 64 64 VAL H H 64 8.860 8.860 8.402 0.458 19906 3843 1 10 . 1 1 65 65 THR N N 65 116.150 116.150 116.889 -0.739 19906 3844 1 10 . 1 1 65 65 THR HA H 65 4.640 4.640 5.155 -0.515 19906 3845 1 10 . 1 1 65 65 THR CA C 65 59.470 59.470 59.562 -0.092 19906 3846 1 10 . 1 1 65 65 THR CB C 65 71.160 71.160 71.120 0.040 19906 3847 1 10 . 1 1 65 65 THR H H 65 7.290 7.290 8.159 -0.869 19906 3848 1 10 . 1 1 66 66 GLY N N 66 105.560 105.560 108.802 -3.242 19906 3849 1 10 . 1 1 66 66 GLY CA C 66 45.860 45.860 44.844 1.016 19906 3850 1 10 . 1 1 66 66 GLY H H 66 8.450 8.450 8.416 0.034 19906 3851 1 10 . 1 1 67 67 LEU N N 67 119.080 119.080 122.223 -3.143 19906 3852 1 10 . 1 1 67 67 LEU HA H 67 4.180 4.180 3.733 0.447 19906 3853 1 10 . 1 1 67 67 LEU CA C 67 53.380 53.380 53.531 -0.150 19906 3854 1 10 . 1 1 67 67 LEU CB C 67 41.630 41.630 40.539 1.091 19906 3855 1 10 . 1 1 67 67 LEU H H 67 7.850 7.850 7.356 0.494 19906 3856 1 10 . 1 1 68 68 GLU N N 68 120.030 120.030 124.380 -4.350 19906 3857 1 10 . 1 1 68 68 GLU HA H 68 4.920 4.920 4.355 0.565 19906 3858 1 10 . 1 1 68 68 GLU CA C 68 52.510 52.510 54.947 -2.437 19906 3859 1 10 . 1 1 68 68 GLU CB C 68 31.040 31.040 29.183 1.857 19906 3860 1 10 . 1 1 68 68 GLU H H 68 8.500 8.500 8.364 0.136 19906 3861 1 10 . 1 1 69 69 PRO HA H 69 4.470 4.470 4.425 0.045 19906 3862 1 10 . 1 1 69 69 PRO CA C 69 62.740 62.740 63.167 -0.427 19906 3863 1 10 . 1 1 69 69 PRO CB C 69 31.410 31.410 32.219 -0.809 19906 3864 1 10 . 1 1 70 70 GLY N N 70 106.940 106.940 109.655 -2.715 19906 3865 1 10 . 1 1 70 70 GLY CA C 70 45.830 45.830 45.544 0.286 19906 3866 1 10 . 1 1 70 70 GLY H H 70 8.500 8.500 8.819 -0.319 19906 3867 1 10 . 1 1 71 71 ILE N N 71 120.080 120.080 120.797 -0.717 19906 3868 1 10 . 1 1 71 71 ILE HA H 71 4.080 4.080 4.214 -0.134 19906 3869 1 10 . 1 1 71 71 ILE CA C 71 58.710 58.710 59.966 -1.256 19906 3870 1 10 . 1 1 71 71 ILE CB C 71 40.410 40.410 40.243 0.167 19906 3871 1 10 . 1 1 71 71 ILE H H 71 7.510 7.510 7.522 -0.012 19906 3872 1 10 . 1 1 72 72 ASP N N 72 124.920 124.920 127.618 -2.698 19906 3873 1 10 . 1 1 72 72 ASP HA H 72 4.930 4.930 4.597 0.333 19906 3874 1 10 . 1 1 72 72 ASP CA C 72 54.260 54.260 53.708 0.552 19906 3875 1 10 . 1 1 72 72 ASP CB C 72 41.120 41.120 41.141 -0.021 19906 3876 1 10 . 1 1 72 72 ASP H H 72 8.190 8.190 8.514 -0.324 19906 3877 1 10 . 1 1 73 73 TYR N N 73 122.440 122.440 125.302 -2.862 19906 3878 1 10 . 1 1 73 73 TYR HA H 73 5.070 5.070 4.719 0.351 19906 3879 1 10 . 1 1 73 73 TYR CA C 73 57.390 57.390 57.795 -0.405 19906 3880 1 10 . 1 1 73 73 TYR CB C 73 40.550 40.550 40.389 0.161 19906 3881 1 10 . 1 1 73 73 TYR H H 73 9.310 9.310 8.238 1.072 19906 3882 1 10 . 1 1 74 74 ASP N N 74 122.980 122.980 126.339 -3.359 19906 3883 1 10 . 1 1 74 74 ASP HA H 74 5.220 5.220 4.921 0.299 19906 3884 1 10 . 1 1 74 74 ASP CA C 74 53.900 53.900 53.904 -0.004 19906 3885 1 10 . 1 1 74 74 ASP CB C 74 42.120 42.120 41.531 0.589 19906 3886 1 10 . 1 1 74 74 ASP H H 74 9.290 9.290 8.913 0.377 19906 3887 1 10 . 1 1 75 75 ILE N N 75 124.270 124.270 120.163 4.107 19906 3888 1 10 . 1 1 75 75 ILE HA H 75 5.470 5.470 5.033 0.437 19906 3889 1 10 . 1 1 75 75 ILE CA C 75 58.400 58.400 58.068 0.332 19906 3890 1 10 . 1 1 75 75 ILE CB C 75 40.900 40.900 41.175 -0.275 19906 3891 1 10 . 1 1 75 75 ILE H H 75 8.810 8.810 8.326 0.484 19906 3892 1 10 . 1 1 76 76 SER N N 76 121.300 121.300 115.836 5.464 19906 3893 1 10 . 1 1 76 76 SER HA H 76 5.800 5.800 4.695 1.105 19906 3894 1 10 . 1 1 76 76 SER CA C 76 56.340 56.340 57.996 -1.656 19906 3895 1 10 . 1 1 76 76 SER CB C 76 66.180 66.180 65.261 0.919 19906 3896 1 10 . 1 1 76 76 SER H H 76 8.760 8.760 8.691 0.069 19906 3897 1 10 . 1 1 77 77 VAL N N 77 124.740 124.740 124.393 0.347 19906 3898 1 10 . 1 1 77 77 VAL HA H 77 4.760 4.760 4.276 0.484 19906 3899 1 10 . 1 1 77 77 VAL CA C 77 61.190 61.190 61.279 -0.089 19906 3900 1 10 . 1 1 77 77 VAL CB C 77 33.270 33.270 31.704 1.566 19906 3901 1 10 . 1 1 77 77 VAL H H 77 9.420 9.420 8.399 1.021 19906 3902 1 10 . 1 1 78 78 ILE N N 78 126.300 126.300 129.557 -3.257 19906 3903 1 10 . 1 1 78 78 ILE HA H 78 4.710 4.710 4.256 0.454 19906 3904 1 10 . 1 1 78 78 ILE CA C 78 61.160 61.160 60.864 0.297 19906 3905 1 10 . 1 1 78 78 ILE CB C 78 41.050 41.050 38.373 2.677 19906 3906 1 10 . 1 1 78 78 ILE H H 78 9.370 9.370 8.315 1.055 19906 3907 1 10 . 1 1 79 79 THR N N 79 122.350 122.350 120.412 1.938 19906 3908 1 10 . 1 1 79 79 THR HA H 79 4.280 4.280 4.468 -0.188 19906 3909 1 10 . 1 1 79 79 THR CA C 79 64.260 64.260 61.046 3.214 19906 3910 1 10 . 1 1 79 79 THR CB C 79 69.130 69.130 69.424 -0.294 19906 3911 1 10 . 1 1 79 79 THR H H 79 8.550 8.550 8.438 0.112 19906 3912 1 10 . 1 1 80 80 LEU N N 80 128.900 128.900 129.253 -0.353 19906 3913 1 10 . 1 1 80 80 LEU HA H 80 4.730 4.730 4.745 -0.015 19906 3914 1 10 . 1 1 80 80 LEU CA C 80 54.060 54.060 54.776 -0.716 19906 3915 1 10 . 1 1 80 80 LEU CB C 80 41.470 41.470 44.552 -3.082 19906 3916 1 10 . 1 1 80 80 LEU H H 80 8.660 8.660 8.763 -0.103 19906 3917 1 10 . 1 1 81 81 ILE N N 81 121.640 121.640 121.675 -0.035 19906 3918 1 10 . 1 1 81 81 ILE HA H 81 4.870 4.870 4.470 0.400 19906 3919 1 10 . 1 1 81 81 ILE CA C 81 59.300 59.300 59.877 -0.577 19906 3920 1 10 . 1 1 81 81 ILE CB C 81 40.510 40.510 41.320 -0.810 19906 3921 1 10 . 1 1 81 81 ILE H H 81 8.350 8.350 7.906 0.444 19906 3922 1 10 . 1 1 82 82 ASN N N 82 123.240 123.240 121.494 1.746 19906 3923 1 10 . 1 1 82 82 ASN HA H 82 4.640 4.640 4.645 -0.005 19906 3924 1 10 . 1 1 82 82 ASN CA C 82 53.450 53.450 55.188 -1.738 19906 3925 1 10 . 1 1 82 82 ASN CB C 82 38.940 38.940 39.632 -0.692 19906 3926 1 10 . 1 1 82 82 ASN H H 82 8.820 8.820 8.722 0.098 19906 3927 1 10 . 1 1 83 83 GLY N N 83 112.680 112.680 107.861 4.819 19906 3928 1 10 . 1 1 83 83 GLY CA C 83 45.420 45.420 44.464 0.956 19906 3929 1 10 . 1 1 83 83 GLY H H 83 8.630 8.630 8.408 0.222 19906 3930 1 10 . 1 1 84 84 GLY N N 84 108.560 108.560 110.060 -1.500 19906 3931 1 10 . 1 1 84 84 GLY CA C 84 45.190 45.190 44.784 0.406 19906 3932 1 10 . 1 1 84 84 GLY H H 84 8.280 8.280 8.409 -0.129 19906 3933 1 10 . 1 1 85 85 GLU N N 85 120.690 120.690 121.262 -0.572 19906 3934 1 10 . 1 1 85 85 GLU HA H 85 4.320 4.320 4.305 0.015 19906 3935 1 10 . 1 1 85 85 GLU CA C 85 56.480 56.480 56.438 0.042 19906 3936 1 10 . 1 1 85 85 GLU CB C 85 30.480 30.480 30.430 0.050 19906 3937 1 10 . 1 1 85 85 GLU H H 85 8.460 8.460 8.362 0.098 19906 3938 1 10 . 1 1 86 86 SER N N 86 116.860 116.860 116.299 0.561 19906 3939 1 10 . 1 1 86 86 SER HA H 86 4.430 4.430 4.420 0.010 19906 3940 1 10 . 1 1 86 86 SER CA C 86 57.920 57.920 58.755 -0.835 19906 3941 1 10 . 1 1 86 86 SER CB C 86 63.720 63.720 63.759 -0.039 19906 3942 1 10 . 1 1 86 86 SER H H 86 8.350 8.350 8.606 -0.256 19906 3943 1 10 . 1 1 87 87 ALA N N 87 126.890 126.890 123.302 3.588 19906 3944 1 10 . 1 1 87 87 ALA HA H 87 4.580 4.580 4.368 0.212 19906 3945 1 10 . 1 1 87 87 ALA CA C 87 50.450 50.450 52.200 -1.750 19906 3946 1 10 . 1 1 87 87 ALA CB C 87 18.110 18.110 17.541 0.569 19906 3947 1 10 . 1 1 87 87 ALA H H 87 8.240 8.240 8.822 -0.582 19906 3948 1 10 . 1 1 88 88 PRO HA H 88 4.470 4.470 4.541 -0.071 19906 3949 1 10 . 1 1 88 88 PRO CA C 88 62.960 62.960 62.386 0.574 19906 3950 1 10 . 1 1 88 88 PRO CB C 88 31.460 31.460 31.567 -0.107 19906 3951 1 10 . 1 1 89 89 THR N N 89 114.280 114.280 115.552 -1.272 19906 3952 1 10 . 1 1 89 89 THR HA H 89 4.340 4.340 4.250 0.090 19906 3953 1 10 . 1 1 89 89 THR CA C 89 62.320 62.320 63.682 -1.362 19906 3954 1 10 . 1 1 89 89 THR CB C 89 69.530 69.530 68.800 0.730 19906 3955 1 10 . 1 1 89 89 THR H H 89 8.270 8.270 8.231 0.039 19906 3956 1 10 . 1 1 90 90 THR N N 90 116.290 116.290 118.861 -2.571 19906 3957 1 10 . 1 1 90 90 THR HA H 90 4.330 4.330 4.548 -0.218 19906 3958 1 10 . 1 1 90 90 THR CA C 90 61.890 61.890 61.346 0.544 19906 3959 1 10 . 1 1 90 90 THR CB C 90 69.500 69.500 70.771 -1.271 19906 3960 1 10 . 1 1 90 90 THR H H 90 8.090 8.090 8.139 -0.049 19906 3961 1 10 . 1 1 91 91 LEU N N 91 124.660 124.660 122.294 2.366 19906 3962 1 10 . 1 1 91 91 LEU HA H 91 4.410 4.410 4.487 -0.077 19906 3963 1 10 . 1 1 91 91 LEU CA C 91 55.590 55.590 55.009 0.581 19906 3964 1 10 . 1 1 91 91 LEU CB C 91 41.600 41.600 42.169 -0.570 19906 3965 1 10 . 1 1 91 91 LEU H H 91 8.290 8.290 8.285 0.005 19906 3966 1 10 . 1 1 92 92 THR N N 92 115.030 115.030 114.471 0.559 19906 3967 1 10 . 1 1 92 92 THR HA H 92 4.300 4.300 4.331 -0.031 19906 3968 1 10 . 1 1 92 92 THR CA C 92 61.890 61.890 61.664 0.226 19906 3969 1 10 . 1 1 92 92 THR CB C 92 69.500 69.500 69.524 -0.024 19906 3970 1 10 . 1 1 92 92 THR H H 92 8.100 8.100 8.047 0.053 19906 3971 1 10 . 1 1 93 93 GLN N N 93 123.200 123.200 124.814 -1.614 19906 3972 1 10 . 1 1 93 93 GLN HA H 93 4.350 4.350 4.324 0.026 19906 3973 1 10 . 1 1 93 93 GLN CA C 93 55.720 55.720 55.763 -0.042 19906 3974 1 10 . 1 1 93 93 GLN CB C 93 29.050 29.050 29.633 -0.583 19906 3975 1 10 . 1 1 93 93 GLN H H 93 8.380 8.380 8.471 -0.091 19906 3976 1 10 . 1 1 94 94 GLN N N 94 122.720 122.720 123.674 -0.954 19906 3977 1 10 . 1 1 94 94 GLN HA H 94 4.400 4.400 4.335 0.065 19906 3978 1 10 . 1 1 94 94 GLN CA C 94 55.780 55.780 56.304 -0.524 19906 3979 1 10 . 1 1 94 94 GLN CB C 94 29.100 29.100 29.027 0.073 19906 3980 1 10 . 1 1 94 94 GLN H H 94 8.480 8.480 8.503 -0.023 19906 3981 1 11 . 1 1 4 4 SER HA H 4 4.400 4.400 4.582 -0.182 19906 3982 1 11 . 1 1 4 4 SER CA C 4 58.290 58.290 57.537 0.753 19906 3983 1 11 . 1 1 4 4 SER CB C 4 63.790 63.790 64.324 -0.534 19906 3984 1 11 . 1 1 5 5 GLU N N 5 121.960 121.960 120.706 1.254 19906 3985 1 11 . 1 1 5 5 GLU HA H 5 4.410 4.410 4.395 0.015 19906 3986 1 11 . 1 1 5 5 GLU CA C 5 55.610 55.610 55.787 -0.177 19906 3987 1 11 . 1 1 5 5 GLU CB C 5 31.950 31.950 30.163 1.787 19906 3988 1 11 . 1 1 5 5 GLU H H 5 8.450 8.450 8.411 0.039 19906 3989 1 11 . 1 1 6 6 VAL N N 6 122.170 122.170 124.402 -2.232 19906 3990 1 11 . 1 1 6 6 VAL HA H 6 4.070 4.070 4.187 -0.117 19906 3991 1 11 . 1 1 6 6 VAL CA C 6 56.380 56.380 60.465 -4.085 19906 3992 1 11 . 1 1 6 6 VAL CB C 6 29.500 29.500 32.965 -3.465 19906 3993 1 11 . 1 1 6 6 VAL H H 6 8.260 8.260 8.403 -0.143 19906 3994 1 11 . 1 1 9 9 LEU N N 9 123.830 123.830 125.553 -1.723 19906 3995 1 11 . 1 1 9 9 LEU HA H 9 4.490 4.490 4.485 0.005 19906 3996 1 11 . 1 1 9 9 LEU CA C 9 54.820 54.820 55.156 -0.336 19906 3997 1 11 . 1 1 9 9 LEU CB C 9 41.930 41.930 42.171 -0.241 19906 3998 1 11 . 1 1 9 9 LEU H H 9 7.770 7.770 8.430 -0.660 19906 3999 1 11 . 1 1 11 11 ASP HA H 11 4.730 4.730 4.807 -0.077 19906 4000 1 11 . 1 1 11 11 ASP CA C 11 53.060 53.060 53.430 -0.370 19906 4001 1 11 . 1 1 11 11 ASP CB C 11 38.110 38.110 42.757 -4.647 19906 4002 1 11 . 1 1 12 12 LEU N N 12 122.730 122.730 122.438 0.292 19906 4003 1 11 . 1 1 12 12 LEU HA H 12 4.660 4.660 4.268 0.392 19906 4004 1 11 . 1 1 12 12 LEU CA C 12 55.130 55.130 55.917 -0.787 19906 4005 1 11 . 1 1 12 12 LEU CB C 12 43.390 43.390 42.692 0.698 19906 4006 1 11 . 1 1 12 12 LEU H H 12 7.420 7.420 8.387 -0.967 19906 4007 1 11 . 1 1 13 13 SER N N 13 120.760 120.760 119.508 1.252 19906 4008 1 11 . 1 1 13 13 SER HA H 13 4.270 4.270 4.804 -0.534 19906 4009 1 11 . 1 1 13 13 SER CA C 13 56.880 56.880 57.398 -0.518 19906 4010 1 11 . 1 1 13 13 SER CB C 13 65.890 65.890 66.198 -0.309 19906 4011 1 11 . 1 1 13 13 SER H H 13 9.020 9.020 8.200 0.820 19906 4012 1 11 . 1 1 14 14 PHE N N 14 119.920 119.920 119.726 0.194 19906 4013 1 11 . 1 1 14 14 PHE HA H 14 5.510 5.510 4.972 0.538 19906 4014 1 11 . 1 1 14 14 PHE CA C 14 56.760 56.760 56.779 -0.019 19906 4015 1 11 . 1 1 14 14 PHE CB C 14 39.930 39.930 41.281 -1.351 19906 4016 1 11 . 1 1 14 14 PHE H H 14 8.370 8.370 8.790 -0.420 19906 4017 1 11 . 1 1 15 15 VAL N N 15 117.820 117.820 117.255 0.565 19906 4018 1 11 . 1 1 15 15 VAL HA H 15 4.680 4.680 4.563 0.117 19906 4019 1 11 . 1 1 15 15 VAL CA C 15 58.880 58.880 60.646 -1.766 19906 4020 1 11 . 1 1 15 15 VAL CB C 15 36.900 36.900 35.269 1.631 19906 4021 1 11 . 1 1 15 15 VAL H H 15 9.100 9.100 8.440 0.660 19906 4022 1 11 . 1 1 16 16 ASP N N 16 116.850 116.850 118.039 -1.189 19906 4023 1 11 . 1 1 16 16 ASP HA H 16 4.190 4.190 4.268 -0.078 19906 4024 1 11 . 1 1 16 16 ASP CA C 16 54.550 54.550 55.545 -0.995 19906 4025 1 11 . 1 1 16 16 ASP CB C 16 38.920 38.920 39.499 -0.579 19906 4026 1 11 . 1 1 16 16 ASP H H 16 8.520 8.520 8.789 -0.269 19906 4027 1 11 . 1 1 17 17 ILE N N 17 118.600 118.600 119.094 -0.494 19906 4028 1 11 . 1 1 17 17 ILE HA H 17 4.150 4.150 3.939 0.211 19906 4029 1 11 . 1 1 17 17 ILE CA C 17 63.190 63.190 62.754 0.436 19906 4030 1 11 . 1 1 17 17 ILE CB C 17 37.770 37.770 38.442 -0.672 19906 4031 1 11 . 1 1 17 17 ILE H H 17 8.150 8.150 7.916 0.234 19906 4032 1 11 . 1 1 18 18 THR N N 18 122.160 122.160 121.235 0.925 19906 4033 1 11 . 1 1 18 18 THR HA H 18 4.910 4.910 4.577 0.333 19906 4034 1 11 . 1 1 18 18 THR CA C 18 60.570 60.570 61.243 -0.673 19906 4035 1 11 . 1 1 18 18 THR CB C 18 70.600 70.600 70.594 0.006 19906 4036 1 11 . 1 1 18 18 THR H H 18 8.740 8.740 7.935 0.805 19906 4037 1 11 . 1 1 19 19 ASP N N 19 115.600 115.600 120.965 -5.365 19906 4038 1 11 . 1 1 19 19 ASP HA H 19 4.480 4.480 4.623 -0.143 19906 4039 1 11 . 1 1 19 19 ASP CA C 19 54.880 54.880 55.738 -0.858 19906 4040 1 11 . 1 1 19 19 ASP CB C 19 40.430 40.430 40.568 -0.138 19906 4041 1 11 . 1 1 19 19 ASP H H 19 8.450 8.450 8.392 0.058 19906 4042 1 11 . 1 1 20 20 SER N N 20 108.500 108.500 114.332 -5.832 19906 4043 1 11 . 1 1 20 20 SER HA H 20 4.620 4.620 4.745 -0.125 19906 4044 1 11 . 1 1 20 20 SER CA C 20 57.660 57.660 58.016 -0.356 19906 4045 1 11 . 1 1 20 20 SER CB C 20 66.090 66.090 64.539 1.551 19906 4046 1 11 . 1 1 20 20 SER H H 20 8.120 8.120 7.901 0.220 19906 4047 1 11 . 1 1 21 21 SER N N 21 116.590 116.590 114.691 1.899 19906 4048 1 11 . 1 1 21 21 SER HA H 21 5.230 5.230 5.010 0.220 19906 4049 1 11 . 1 1 21 21 SER CA C 21 56.730 56.730 57.409 -0.679 19906 4050 1 11 . 1 1 21 21 SER CB C 21 66.730 66.730 65.284 1.446 19906 4051 1 11 . 1 1 21 21 SER H H 21 7.530 7.530 7.593 -0.063 19906 4052 1 11 . 1 1 22 22 ILE N N 22 113.850 113.850 116.971 -3.121 19906 4053 1 11 . 1 1 22 22 ILE HA H 22 4.490 4.490 4.704 -0.214 19906 4054 1 11 . 1 1 22 22 ILE CA C 22 60.320 60.320 59.107 1.213 19906 4055 1 11 . 1 1 22 22 ILE CB C 22 42.650 42.650 41.769 0.881 19906 4056 1 11 . 1 1 22 22 ILE H H 22 8.210 8.210 7.943 0.267 19906 4057 1 11 . 1 1 23 23 GLY N N 23 112.950 112.950 112.535 0.415 19906 4058 1 11 . 1 1 23 23 GLY CA C 23 44.110 44.110 44.099 0.012 19906 4059 1 11 . 1 1 23 23 GLY H H 23 8.300 8.300 8.495 -0.195 19906 4060 1 11 . 1 1 24 24 LEU N N 24 123.740 123.740 126.173 -2.433 19906 4061 1 11 . 1 1 24 24 LEU HA H 24 4.820 4.820 4.274 0.546 19906 4062 1 11 . 1 1 24 24 LEU CA C 24 53.930 53.930 55.342 -1.411 19906 4063 1 11 . 1 1 24 24 LEU CB C 24 42.470 42.470 42.174 0.296 19906 4064 1 11 . 1 1 24 24 LEU H H 24 8.820 8.820 7.811 1.009 19906 4065 1 11 . 1 1 25 25 ARG N N 25 119.980 119.980 125.011 -5.031 19906 4066 1 11 . 1 1 25 25 ARG HA H 25 4.890 4.890 4.698 0.192 19906 4067 1 11 . 1 1 25 25 ARG CA C 25 54.040 54.040 54.828 -0.788 19906 4068 1 11 . 1 1 25 25 ARG CB C 25 33.850 33.850 34.261 -0.412 19906 4069 1 11 . 1 1 25 25 ARG H H 25 8.570 8.570 7.913 0.657 19906 4070 1 11 . 1 1 26 26 TRP N N 26 122.480 122.480 125.698 -3.218 19906 4071 1 11 . 1 1 26 26 TRP HA H 26 4.840 4.840 5.076 -0.236 19906 4072 1 11 . 1 1 26 26 TRP CA C 26 56.790 56.790 56.092 0.698 19906 4073 1 11 . 1 1 26 26 TRP CB C 26 31.460 31.460 31.099 0.361 19906 4074 1 11 . 1 1 26 26 TRP H H 26 7.960 7.960 7.549 0.411 19906 4075 1 11 . 1 1 27 27 THR N N 27 119.820 119.820 118.069 1.751 19906 4076 1 11 . 1 1 27 27 THR HA H 27 4.750 4.750 4.705 0.045 19906 4077 1 11 . 1 1 27 27 THR CA C 27 60.690 60.690 59.123 1.567 19906 4078 1 11 . 1 1 27 27 THR CB C 27 68.460 68.460 69.252 -0.792 19906 4079 1 11 . 1 1 27 27 THR H H 27 9.780 9.780 8.208 1.572 19906 4080 1 11 . 1 1 28 28 PRO HA H 28 4.470 4.470 4.407 0.063 19906 4081 1 11 . 1 1 28 28 PRO CA C 28 63.260 63.260 63.296 -0.036 19906 4082 1 11 . 1 1 28 28 PRO CB C 28 31.980 31.980 32.146 -0.166 19906 4083 1 11 . 1 1 29 29 LEU N N 29 124.220 124.220 122.282 1.938 19906 4084 1 11 . 1 1 29 29 LEU HA H 29 4.490 4.490 4.441 0.049 19906 4085 1 11 . 1 1 29 29 LEU CA C 29 54.150 54.150 54.723 -0.573 19906 4086 1 11 . 1 1 29 29 LEU CB C 29 43.040 43.040 42.443 0.597 19906 4087 1 11 . 1 1 29 29 LEU H H 29 8.570 8.570 8.142 0.428 19906 4088 1 11 . 1 1 30 30 ASN N N 30 119.950 119.950 121.533 -1.583 19906 4089 1 11 . 1 1 30 30 ASN HA H 30 4.700 4.700 4.442 0.258 19906 4090 1 11 . 1 1 30 30 ASN CA C 30 53.570 53.570 55.794 -2.224 19906 4091 1 11 . 1 1 30 30 ASN CB C 30 38.340 38.340 38.530 -0.190 19906 4092 1 11 . 1 1 30 30 ASN H H 30 8.630 8.630 8.907 -0.277 19906 4093 1 11 . 1 1 31 31 SER N N 31 114.290 114.290 114.303 -0.013 19906 4094 1 11 . 1 1 31 31 SER HA H 31 4.560 4.560 4.421 0.139 19906 4095 1 11 . 1 1 31 31 SER CA C 31 57.500 57.500 58.834 -1.334 19906 4096 1 11 . 1 1 31 31 SER CB C 31 63.480 63.480 63.541 -0.061 19906 4097 1 11 . 1 1 31 31 SER H H 31 8.090 8.090 8.051 0.039 19906 4098 1 11 . 1 1 32 32 SER HA H 32 4.560 4.560 4.385 0.175 19906 4099 1 11 . 1 1 32 32 SER CA C 32 58.140 58.140 58.531 -0.391 19906 4100 1 11 . 1 1 32 32 SER CB C 32 63.730 63.730 63.755 -0.025 19906 4101 1 11 . 1 1 33 33 THR N N 33 114.160 114.160 118.216 -4.056 19906 4102 1 11 . 1 1 33 33 THR HA H 33 4.300 4.300 4.252 0.048 19906 4103 1 11 . 1 1 33 33 THR CA C 33 63.620 63.620 62.724 0.896 19906 4104 1 11 . 1 1 33 33 THR CB C 33 69.530 69.530 69.305 0.225 19906 4105 1 11 . 1 1 33 33 THR H H 33 8.000 8.000 8.150 -0.150 19906 4106 1 11 . 1 1 34 34 ILE N N 34 121.090 121.090 126.385 -5.295 19906 4107 1 11 . 1 1 34 34 ILE HA H 34 4.300 4.300 4.396 -0.096 19906 4108 1 11 . 1 1 34 34 ILE CA C 34 61.920 61.920 59.342 2.578 19906 4109 1 11 . 1 1 34 34 ILE CB C 34 38.080 38.080 36.071 2.009 19906 4110 1 11 . 1 1 34 34 ILE H H 34 7.980 7.980 8.369 -0.389 19906 4111 1 11 . 1 1 35 35 ILE N N 35 126.230 126.230 121.801 4.429 19906 4112 1 11 . 1 1 35 35 ILE HA H 35 4.220 4.220 4.510 -0.290 19906 4113 1 11 . 1 1 35 35 ILE CA C 35 61.720 61.720 59.293 2.427 19906 4114 1 11 . 1 1 35 35 ILE CB C 35 38.790 38.790 41.629 -2.839 19906 4115 1 11 . 1 1 35 35 ILE H H 35 8.810 8.810 7.548 1.262 19906 4116 1 11 . 1 1 36 36 GLY CA C 36 45.520 45.520 45.735 -0.215 19906 4117 1 11 . 1 1 37 37 TYR N N 37 120.400 120.400 127.872 -7.472 19906 4118 1 11 . 1 1 37 37 TYR HA H 37 5.070 5.070 4.573 0.497 19906 4119 1 11 . 1 1 37 37 TYR CA C 37 57.930 57.930 56.160 1.770 19906 4120 1 11 . 1 1 37 37 TYR CB C 37 38.950 38.950 39.666 -0.716 19906 4121 1 11 . 1 1 37 37 TYR H H 37 7.340 7.340 7.879 -0.539 19906 4122 1 11 . 1 1 38 38 ARG HA H 38 5.150 5.150 4.174 0.976 19906 4123 1 11 . 1 1 38 38 ARG CA C 38 54.450 54.450 54.210 0.240 19906 4124 1 11 . 1 1 38 38 ARG CB C 38 31.530 31.530 31.507 0.023 19906 4125 1 11 . 1 1 39 39 ILE N N 39 129.570 129.570 120.649 8.921 19906 4126 1 11 . 1 1 39 39 ILE HA H 39 5.060 5.060 4.324 0.736 19906 4127 1 11 . 1 1 39 39 ILE CA C 39 60.030 60.030 59.544 0.486 19906 4128 1 11 . 1 1 39 39 ILE CB C 39 40.780 40.780 39.128 1.652 19906 4129 1 11 . 1 1 39 39 ILE H H 39 9.040 9.040 7.365 1.675 19906 4130 1 11 . 1 1 40 40 THR N N 40 120.430 120.430 117.631 2.799 19906 4131 1 11 . 1 1 40 40 THR HA H 40 5.210 5.210 4.603 0.607 19906 4132 1 11 . 1 1 40 40 THR CA C 40 61.130 61.130 61.366 -0.236 19906 4133 1 11 . 1 1 40 40 THR CB C 40 71.090 71.090 71.177 -0.088 19906 4134 1 11 . 1 1 40 40 THR H H 40 8.880 8.880 7.973 0.907 19906 4135 1 11 . 1 1 41 41 VAL HA H 41 5.030 5.030 4.565 0.465 19906 4136 1 11 . 1 1 41 41 VAL CA C 41 61.280 61.280 60.154 1.126 19906 4137 1 11 . 1 1 41 41 VAL CB C 41 33.800 33.800 34.330 -0.530 19906 4138 1 11 . 1 1 41 41 VAL H H 41 8.820 8.820 8.632 0.188 19906 4139 1 11 . 1 1 42 42 VAL N N 42 127.670 127.670 126.722 0.948 19906 4140 1 11 . 1 1 42 42 VAL HA H 42 4.650 4.650 4.364 0.286 19906 4141 1 11 . 1 1 42 42 VAL CA C 42 60.320 60.320 60.213 0.107 19906 4142 1 11 . 1 1 42 42 VAL CB C 42 35.800 35.800 36.080 -0.280 19906 4143 1 11 . 1 1 42 42 VAL H H 42 9.100 9.100 9.238 -0.138 19906 4144 1 11 . 1 1 43 43 ALA N N 43 131.340 131.340 129.108 2.232 19906 4145 1 11 . 1 1 43 43 ALA HA H 43 4.410 4.410 3.901 0.509 19906 4146 1 11 . 1 1 43 43 ALA CA C 43 52.420 52.420 50.960 1.460 19906 4147 1 11 . 1 1 43 43 ALA CB C 43 18.750 18.750 19.710 -0.960 19906 4148 1 11 . 1 1 43 43 ALA H H 43 9.420 9.420 8.514 0.906 19906 4149 1 11 . 1 1 44 44 ALA N N 44 126.040 126.040 125.105 0.935 19906 4150 1 11 . 1 1 44 44 ALA HA H 44 4.120 4.120 4.283 -0.163 19906 4151 1 11 . 1 1 44 44 ALA CA C 44 53.790 53.790 53.391 0.400 19906 4152 1 11 . 1 1 44 44 ALA CB C 44 18.680 18.680 19.845 -1.165 19906 4153 1 11 . 1 1 44 44 ALA H H 44 8.260 8.260 7.952 0.308 19906 4154 1 11 . 1 1 45 45 GLY CA C 45 45.620 45.620 45.319 0.301 19906 4155 1 11 . 1 1 45 45 GLY H H 45 8.700 8.700 8.307 0.393 19906 4156 1 11 . 1 1 46 46 GLU N N 46 119.650 119.650 118.406 1.244 19906 4157 1 11 . 1 1 46 46 GLU HA H 46 4.470 4.470 4.443 0.027 19906 4158 1 11 . 1 1 46 46 GLU CA C 46 55.870 55.870 55.250 0.620 19906 4159 1 11 . 1 1 46 46 GLU CB C 46 30.520 30.520 32.288 -1.768 19906 4160 1 11 . 1 1 46 46 GLU H H 46 8.110 8.110 7.461 0.649 19906 4161 1 11 . 1 1 47 47 GLY N N 47 107.160 107.160 109.621 -2.461 19906 4162 1 11 . 1 1 47 47 GLY CA C 47 45.910 45.910 45.721 0.189 19906 4163 1 11 . 1 1 47 47 GLY H H 47 8.400 8.400 8.673 -0.273 19906 4164 1 11 . 1 1 48 48 ILE N N 48 120.010 120.010 121.286 -1.276 19906 4165 1 11 . 1 1 48 48 ILE HA H 48 4.620 4.620 4.315 0.305 19906 4166 1 11 . 1 1 48 48 ILE CA C 48 58.500 58.500 58.115 0.384 19906 4167 1 11 . 1 1 48 48 ILE CB C 48 39.400 39.400 41.322 -1.922 19906 4168 1 11 . 1 1 48 48 ILE H H 48 7.440 7.440 7.474 -0.034 19906 4169 1 11 . 1 1 49 49 PRO HA H 49 4.530 4.530 4.514 0.016 19906 4170 1 11 . 1 1 49 49 PRO CA C 49 63.590 63.590 61.971 1.619 19906 4171 1 11 . 1 1 49 49 PRO CB C 49 31.880 31.880 32.223 -0.343 19906 4172 1 11 . 1 1 50 50 ILE N N 50 122.120 122.120 120.302 1.818 19906 4173 1 11 . 1 1 50 50 ILE HA H 50 4.150 4.150 3.995 0.155 19906 4174 1 11 . 1 1 50 50 ILE CA C 50 63.310 63.310 61.416 1.894 19906 4175 1 11 . 1 1 50 50 ILE CB C 50 38.020 38.020 38.614 -0.594 19906 4176 1 11 . 1 1 50 50 ILE H H 50 8.720 8.720 8.076 0.644 19906 4177 1 11 . 1 1 51 51 PHE HA H 51 4.770 4.770 4.369 0.401 19906 4178 1 11 . 1 1 51 51 PHE CA C 51 57.900 57.900 57.713 0.187 19906 4179 1 11 . 1 1 51 51 PHE CB C 51 41.870 41.870 39.606 2.264 19906 4180 1 11 . 1 1 52 52 GLU HA H 52 5.350 5.350 4.098 1.252 19906 4181 1 11 . 1 1 52 52 GLU CA C 52 55.140 55.140 55.599 -0.459 19906 4182 1 11 . 1 1 52 52 GLU CB C 52 32.030 32.030 30.088 1.942 19906 4183 1 11 . 1 1 53 53 ASP N N 53 122.750 122.750 121.576 1.174 19906 4184 1 11 . 1 1 53 53 ASP HA H 53 5.000 5.000 4.777 0.223 19906 4185 1 11 . 1 1 53 53 ASP CA C 53 52.950 52.950 52.936 0.014 19906 4186 1 11 . 1 1 53 53 ASP CB C 53 44.770 44.770 43.797 0.973 19906 4187 1 11 . 1 1 53 53 ASP H H 53 8.850 8.850 8.100 0.750 19906 4188 1 11 . 1 1 54 54 PHE N N 54 121.100 121.100 119.122 1.978 19906 4189 1 11 . 1 1 54 54 PHE HA H 54 5.380 5.380 4.469 0.911 19906 4190 1 11 . 1 1 54 54 PHE CA C 54 56.180 56.180 57.034 -0.854 19906 4191 1 11 . 1 1 54 54 PHE CB C 54 42.110 42.110 40.150 1.960 19906 4192 1 11 . 1 1 54 54 PHE H H 54 8.770 8.770 8.517 0.253 19906 4193 1 11 . 1 1 55 55 VAL N N 55 125.760 125.760 124.171 1.589 19906 4194 1 11 . 1 1 55 55 VAL HA H 55 4.320 4.320 4.330 -0.010 19906 4195 1 11 . 1 1 55 55 VAL CA C 55 59.140 59.140 59.620 -0.480 19906 4196 1 11 . 1 1 55 55 VAL CB C 55 34.940 34.940 36.261 -1.321 19906 4197 1 11 . 1 1 55 55 VAL H H 55 8.290 8.290 7.852 0.438 19906 4198 1 11 . 1 1 56 56 ASP N N 56 127.100 127.100 128.158 -1.058 19906 4199 1 11 . 1 1 56 56 ASP HA H 56 4.560 4.560 4.629 -0.069 19906 4200 1 11 . 1 1 56 56 ASP CA C 56 54.980 54.980 54.542 0.438 19906 4201 1 11 . 1 1 56 56 ASP CB C 56 42.730 42.730 41.482 1.248 19906 4202 1 11 . 1 1 56 56 ASP H H 56 8.460 8.460 8.559 -0.099 19906 4203 1 11 . 1 1 57 57 SER N N 57 119.630 119.630 118.805 0.825 19906 4204 1 11 . 1 1 57 57 SER HA H 57 4.330 4.330 4.422 -0.092 19906 4205 1 11 . 1 1 57 57 SER CA C 57 60.630 60.630 61.913 -1.283 19906 4206 1 11 . 1 1 57 57 SER CB C 57 62.680 62.680 63.327 -0.647 19906 4207 1 11 . 1 1 57 57 SER H H 57 8.260 8.260 8.830 -0.570 19906 4208 1 11 . 1 1 58 58 SER N N 58 117.030 117.030 116.693 0.337 19906 4209 1 11 . 1 1 58 58 SER HA H 58 4.400 4.400 4.256 0.144 19906 4210 1 11 . 1 1 58 58 SER CA C 58 60.430 60.430 60.927 -0.497 19906 4211 1 11 . 1 1 58 58 SER CB C 58 63.700 63.700 62.691 1.010 19906 4212 1 11 . 1 1 58 58 SER H H 58 9.080 9.080 8.379 0.701 19906 4213 1 11 . 1 1 59 59 VAL N N 59 119.350 119.350 119.638 -0.288 19906 4214 1 11 . 1 1 59 59 VAL HA H 59 3.790 3.790 3.577 0.213 19906 4215 1 11 . 1 1 59 59 VAL CA C 59 65.670 65.670 64.298 1.372 19906 4216 1 11 . 1 1 59 59 VAL CB C 59 32.400 32.400 31.677 0.723 19906 4217 1 11 . 1 1 59 59 VAL H H 59 7.570 7.570 7.620 -0.050 19906 4218 1 11 . 1 1 60 60 GLY N N 60 104.070 104.070 106.247 -2.177 19906 4219 1 11 . 1 1 60 60 GLY CA C 60 44.430 44.430 45.291 -0.861 19906 4220 1 11 . 1 1 60 60 GLY H H 60 6.120 6.120 7.713 -1.593 19906 4221 1 11 . 1 1 61 61 TYR N N 61 117.690 117.690 112.587 5.103 19906 4222 1 11 . 1 1 61 61 TYR HA H 61 5.030 5.030 4.456 0.574 19906 4223 1 11 . 1 1 61 61 TYR CA C 61 56.320 56.320 54.883 1.437 19906 4224 1 11 . 1 1 61 61 TYR CB C 61 41.700 41.700 39.770 1.930 19906 4225 1 11 . 1 1 61 61 TYR H H 61 6.080 6.080 6.751 -0.671 19906 4226 1 11 . 1 1 62 62 TYR N N 62 126.650 126.650 120.510 6.140 19906 4227 1 11 . 1 1 62 62 TYR HA H 62 4.440 4.440 4.891 -0.451 19906 4228 1 11 . 1 1 62 62 TYR CA C 62 58.560 58.560 57.678 0.882 19906 4229 1 11 . 1 1 62 62 TYR CB C 62 43.550 43.550 43.117 0.433 19906 4230 1 11 . 1 1 62 62 TYR H H 62 8.440 8.440 8.826 -0.386 19906 4231 1 11 . 1 1 63 63 THR N N 63 122.160 122.160 118.913 3.247 19906 4232 1 11 . 1 1 63 63 THR HA H 63 4.780 4.780 4.710 0.070 19906 4233 1 11 . 1 1 63 63 THR CA C 63 61.610 61.610 61.018 0.592 19906 4234 1 11 . 1 1 63 63 THR CB C 63 69.810 69.810 70.045 -0.235 19906 4235 1 11 . 1 1 63 63 THR H H 63 7.380 7.380 7.240 0.140 19906 4236 1 11 . 1 1 64 64 VAL N N 64 127.940 127.940 125.253 2.687 19906 4237 1 11 . 1 1 64 64 VAL HA H 64 3.660 3.660 4.625 -0.965 19906 4238 1 11 . 1 1 64 64 VAL CA C 64 61.840 61.840 60.651 1.189 19906 4239 1 11 . 1 1 64 64 VAL CB C 64 31.840 31.840 32.351 -0.511 19906 4240 1 11 . 1 1 64 64 VAL H H 64 8.860 8.860 8.353 0.507 19906 4241 1 11 . 1 1 65 65 THR N N 65 116.150 116.150 116.677 -0.527 19906 4242 1 11 . 1 1 65 65 THR HA H 65 4.640 4.640 5.140 -0.500 19906 4243 1 11 . 1 1 65 65 THR CA C 65 59.470 59.470 59.741 -0.271 19906 4244 1 11 . 1 1 65 65 THR CB C 65 71.160 71.160 70.944 0.216 19906 4245 1 11 . 1 1 65 65 THR H H 65 7.290 7.290 8.178 -0.888 19906 4246 1 11 . 1 1 66 66 GLY N N 66 105.560 105.560 108.851 -3.291 19906 4247 1 11 . 1 1 66 66 GLY CA C 66 45.860 45.860 44.848 1.012 19906 4248 1 11 . 1 1 66 66 GLY H H 66 8.450 8.450 8.337 0.113 19906 4249 1 11 . 1 1 67 67 LEU N N 67 119.080 119.080 122.054 -2.974 19906 4250 1 11 . 1 1 67 67 LEU HA H 67 4.180 4.180 3.851 0.329 19906 4251 1 11 . 1 1 67 67 LEU CA C 67 53.380 53.380 53.466 -0.086 19906 4252 1 11 . 1 1 67 67 LEU CB C 67 41.630 41.630 40.570 1.060 19906 4253 1 11 . 1 1 67 67 LEU H H 67 7.850 7.850 7.428 0.422 19906 4254 1 11 . 1 1 68 68 GLU N N 68 120.030 120.030 124.198 -4.168 19906 4255 1 11 . 1 1 68 68 GLU HA H 68 4.920 4.920 4.380 0.540 19906 4256 1 11 . 1 1 68 68 GLU CA C 68 52.510 52.510 54.570 -2.060 19906 4257 1 11 . 1 1 68 68 GLU CB C 68 31.040 31.040 29.094 1.946 19906 4258 1 11 . 1 1 68 68 GLU H H 68 8.500 8.500 8.388 0.112 19906 4259 1 11 . 1 1 69 69 PRO HA H 69 4.470 4.470 4.417 0.053 19906 4260 1 11 . 1 1 69 69 PRO CA C 69 62.740 62.740 63.141 -0.401 19906 4261 1 11 . 1 1 69 69 PRO CB C 69 31.410 31.410 32.204 -0.794 19906 4262 1 11 . 1 1 70 70 GLY N N 70 106.940 106.940 109.205 -2.265 19906 4263 1 11 . 1 1 70 70 GLY CA C 70 45.830 45.830 45.541 0.289 19906 4264 1 11 . 1 1 70 70 GLY H H 70 8.500 8.500 8.805 -0.305 19906 4265 1 11 . 1 1 71 71 ILE N N 71 120.080 120.080 120.683 -0.603 19906 4266 1 11 . 1 1 71 71 ILE HA H 71 4.080 4.080 4.250 -0.170 19906 4267 1 11 . 1 1 71 71 ILE CA C 71 58.710 58.710 59.976 -1.266 19906 4268 1 11 . 1 1 71 71 ILE CB C 71 40.410 40.410 40.424 -0.014 19906 4269 1 11 . 1 1 71 71 ILE H H 71 7.510 7.510 7.524 -0.014 19906 4270 1 11 . 1 1 72 72 ASP N N 72 124.920 124.920 126.877 -1.957 19906 4271 1 11 . 1 1 72 72 ASP HA H 72 4.930 4.930 4.647 0.283 19906 4272 1 11 . 1 1 72 72 ASP CA C 72 54.260 54.260 53.638 0.622 19906 4273 1 11 . 1 1 72 72 ASP CB C 72 41.120 41.120 41.284 -0.164 19906 4274 1 11 . 1 1 72 72 ASP H H 72 8.190 8.190 8.519 -0.329 19906 4275 1 11 . 1 1 73 73 TYR N N 73 122.440 122.440 125.203 -2.763 19906 4276 1 11 . 1 1 73 73 TYR HA H 73 5.070 5.070 4.764 0.306 19906 4277 1 11 . 1 1 73 73 TYR CA C 73 57.390 57.390 57.772 -0.382 19906 4278 1 11 . 1 1 73 73 TYR CB C 73 40.550 40.550 40.511 0.039 19906 4279 1 11 . 1 1 73 73 TYR H H 73 9.310 9.310 8.431 0.879 19906 4280 1 11 . 1 1 74 74 ASP N N 74 122.980 122.980 126.286 -3.306 19906 4281 1 11 . 1 1 74 74 ASP HA H 74 5.220 5.220 4.959 0.261 19906 4282 1 11 . 1 1 74 74 ASP CA C 74 53.900 53.900 54.048 -0.148 19906 4283 1 11 . 1 1 74 74 ASP CB C 74 42.120 42.120 41.784 0.336 19906 4284 1 11 . 1 1 74 74 ASP H H 74 9.290 9.290 9.026 0.264 19906 4285 1 11 . 1 1 75 75 ILE N N 75 124.270 124.270 119.866 4.404 19906 4286 1 11 . 1 1 75 75 ILE HA H 75 5.470 5.470 4.894 0.576 19906 4287 1 11 . 1 1 75 75 ILE CA C 75 58.400 58.400 58.312 0.088 19906 4288 1 11 . 1 1 75 75 ILE CB C 75 40.900 40.900 40.338 0.562 19906 4289 1 11 . 1 1 75 75 ILE H H 75 8.810 8.810 8.382 0.428 19906 4290 1 11 . 1 1 76 76 SER N N 76 121.300 121.300 116.402 4.898 19906 4291 1 11 . 1 1 76 76 SER HA H 76 5.800 5.800 4.725 1.075 19906 4292 1 11 . 1 1 76 76 SER CA C 76 56.340 56.340 57.943 -1.603 19906 4293 1 11 . 1 1 76 76 SER CB C 76 66.180 66.180 64.629 1.551 19906 4294 1 11 . 1 1 76 76 SER H H 76 8.760 8.760 8.919 -0.159 19906 4295 1 11 . 1 1 77 77 VAL N N 77 124.740 124.740 126.207 -1.467 19906 4296 1 11 . 1 1 77 77 VAL HA H 77 4.760 4.760 4.484 0.276 19906 4297 1 11 . 1 1 77 77 VAL CA C 77 61.190 61.190 60.740 0.450 19906 4298 1 11 . 1 1 77 77 VAL CB C 77 33.270 33.270 32.822 0.448 19906 4299 1 11 . 1 1 77 77 VAL H H 77 9.420 9.420 8.535 0.885 19906 4300 1 11 . 1 1 78 78 ILE N N 78 126.300 126.300 130.799 -4.499 19906 4301 1 11 . 1 1 78 78 ILE HA H 78 4.710 4.710 4.199 0.511 19906 4302 1 11 . 1 1 78 78 ILE CA C 78 61.160 61.160 60.353 0.807 19906 4303 1 11 . 1 1 78 78 ILE CB C 78 41.050 41.050 37.843 3.207 19906 4304 1 11 . 1 1 78 78 ILE H H 78 9.370 9.370 8.486 0.884 19906 4305 1 11 . 1 1 79 79 THR N N 79 122.350 122.350 120.127 2.223 19906 4306 1 11 . 1 1 79 79 THR HA H 79 4.280 4.280 3.930 0.350 19906 4307 1 11 . 1 1 79 79 THR CA C 79 64.260 64.260 61.865 2.395 19906 4308 1 11 . 1 1 79 79 THR CB C 79 69.130 69.130 69.144 -0.014 19906 4309 1 11 . 1 1 79 79 THR H H 79 8.550 8.550 8.153 0.397 19906 4310 1 11 . 1 1 80 80 LEU N N 80 128.900 128.900 130.349 -1.449 19906 4311 1 11 . 1 1 80 80 LEU HA H 80 4.730 4.730 4.727 0.003 19906 4312 1 11 . 1 1 80 80 LEU CA C 80 54.060 54.060 54.487 -0.427 19906 4313 1 11 . 1 1 80 80 LEU CB C 80 41.470 41.470 44.437 -2.967 19906 4314 1 11 . 1 1 80 80 LEU H H 80 8.660 8.660 8.286 0.374 19906 4315 1 11 . 1 1 81 81 ILE N N 81 121.640 121.640 120.907 0.733 19906 4316 1 11 . 1 1 81 81 ILE HA H 81 4.870 4.870 4.460 0.410 19906 4317 1 11 . 1 1 81 81 ILE CA C 81 59.300 59.300 60.082 -0.782 19906 4318 1 11 . 1 1 81 81 ILE CB C 81 40.510 40.510 41.563 -1.054 19906 4319 1 11 . 1 1 81 81 ILE H H 81 8.350 8.350 7.860 0.490 19906 4320 1 11 . 1 1 82 82 ASN N N 82 123.240 123.240 123.847 -0.607 19906 4321 1 11 . 1 1 82 82 ASN HA H 82 4.640 4.640 4.539 0.101 19906 4322 1 11 . 1 1 82 82 ASN CA C 82 53.450 53.450 54.199 -0.749 19906 4323 1 11 . 1 1 82 82 ASN CB C 82 38.940 38.940 38.876 0.064 19906 4324 1 11 . 1 1 82 82 ASN H H 82 8.820 8.820 8.666 0.154 19906 4325 1 11 . 1 1 83 83 GLY N N 83 112.680 112.680 109.535 3.145 19906 4326 1 11 . 1 1 83 83 GLY CA C 83 45.420 45.420 45.207 0.213 19906 4327 1 11 . 1 1 83 83 GLY H H 83 8.630 8.630 8.342 0.288 19906 4328 1 11 . 1 1 84 84 GLY N N 84 108.560 108.560 111.372 -2.812 19906 4329 1 11 . 1 1 84 84 GLY CA C 84 45.190 45.190 44.723 0.467 19906 4330 1 11 . 1 1 84 84 GLY H H 84 8.280 8.280 8.524 -0.244 19906 4331 1 11 . 1 1 85 85 GLU N N 85 120.690 120.690 120.110 0.580 19906 4332 1 11 . 1 1 85 85 GLU HA H 85 4.320 4.320 4.247 0.073 19906 4333 1 11 . 1 1 85 85 GLU CA C 85 56.480 56.480 56.710 -0.230 19906 4334 1 11 . 1 1 85 85 GLU CB C 85 30.480 30.480 30.219 0.261 19906 4335 1 11 . 1 1 85 85 GLU H H 85 8.460 8.460 8.363 0.097 19906 4336 1 11 . 1 1 86 86 SER N N 86 116.860 116.860 117.782 -0.922 19906 4337 1 11 . 1 1 86 86 SER HA H 86 4.430 4.430 4.422 0.008 19906 4338 1 11 . 1 1 86 86 SER CA C 86 57.920 57.920 59.416 -1.496 19906 4339 1 11 . 1 1 86 86 SER CB C 86 63.720 63.720 63.557 0.163 19906 4340 1 11 . 1 1 86 86 SER H H 86 8.350 8.350 8.405 -0.055 19906 4341 1 11 . 1 1 87 87 ALA N N 87 126.890 126.890 125.000 1.890 19906 4342 1 11 . 1 1 87 87 ALA HA H 87 4.580 4.580 4.376 0.204 19906 4343 1 11 . 1 1 87 87 ALA CA C 87 50.450 50.450 51.122 -0.672 19906 4344 1 11 . 1 1 87 87 ALA CB C 87 18.110 18.110 18.505 -0.395 19906 4345 1 11 . 1 1 87 87 ALA H H 87 8.240 8.240 8.285 -0.045 19906 4346 1 11 . 1 1 88 88 PRO HA H 88 4.470 4.470 4.517 -0.047 19906 4347 1 11 . 1 1 88 88 PRO CA C 88 62.960 62.960 62.788 0.172 19906 4348 1 11 . 1 1 88 88 PRO CB C 88 31.460 31.460 32.242 -0.782 19906 4349 1 11 . 1 1 89 89 THR N N 89 114.280 114.280 118.970 -4.690 19906 4350 1 11 . 1 1 89 89 THR HA H 89 4.340 4.340 4.464 -0.124 19906 4351 1 11 . 1 1 89 89 THR CA C 89 62.320 62.320 62.027 0.293 19906 4352 1 11 . 1 1 89 89 THR CB C 89 69.530 69.530 69.724 -0.194 19906 4353 1 11 . 1 1 89 89 THR H H 89 8.270 8.270 8.342 -0.072 19906 4354 1 11 . 1 1 90 90 THR N N 90 116.290 116.290 121.373 -5.083 19906 4355 1 11 . 1 1 90 90 THR HA H 90 4.330 4.330 4.411 -0.081 19906 4356 1 11 . 1 1 90 90 THR CA C 90 61.890 61.890 61.828 0.062 19906 4357 1 11 . 1 1 90 90 THR CB C 90 69.500 69.500 69.567 -0.067 19906 4358 1 11 . 1 1 90 90 THR H H 90 8.090 8.090 8.360 -0.270 19906 4359 1 11 . 1 1 91 91 LEU N N 91 124.660 124.660 122.614 2.046 19906 4360 1 11 . 1 1 91 91 LEU HA H 91 4.410 4.410 4.446 -0.036 19906 4361 1 11 . 1 1 91 91 LEU CA C 91 55.590 55.590 55.252 0.338 19906 4362 1 11 . 1 1 91 91 LEU CB C 91 41.600 41.600 42.492 -0.892 19906 4363 1 11 . 1 1 91 91 LEU H H 91 8.290 8.290 8.436 -0.146 19906 4364 1 11 . 1 1 92 92 THR N N 92 115.030 115.030 115.820 -0.790 19906 4365 1 11 . 1 1 92 92 THR HA H 92 4.300 4.300 4.414 -0.114 19906 4366 1 11 . 1 1 92 92 THR CA C 92 61.890 61.890 61.004 0.886 19906 4367 1 11 . 1 1 92 92 THR CB C 92 69.500 69.500 69.805 -0.304 19906 4368 1 11 . 1 1 92 92 THR H H 92 8.100 8.100 8.193 -0.093 19906 4369 1 11 . 1 1 93 93 GLN N N 93 123.200 123.200 121.440 1.760 19906 4370 1 11 . 1 1 93 93 GLN HA H 93 4.350 4.350 4.448 -0.098 19906 4371 1 11 . 1 1 93 93 GLN CA C 93 55.720 55.720 55.684 0.036 19906 4372 1 11 . 1 1 93 93 GLN CB C 93 29.050 29.050 29.712 -0.662 19906 4373 1 11 . 1 1 93 93 GLN H H 93 8.380 8.380 8.414 -0.034 19906 4374 1 11 . 1 1 94 94 GLN N N 94 122.720 122.720 123.008 -0.288 19906 4375 1 11 . 1 1 94 94 GLN HA H 94 4.400 4.400 4.268 0.132 19906 4376 1 11 . 1 1 94 94 GLN CA C 94 55.780 55.780 56.800 -1.020 19906 4377 1 11 . 1 1 94 94 GLN CB C 94 29.100 29.100 29.055 0.045 19906 4378 1 11 . 1 1 94 94 GLN H H 94 8.480 8.480 8.417 0.063 19906 4379 1 12 . 1 1 4 4 SER HA H 4 4.400 4.400 4.734 -0.334 19906 4380 1 12 . 1 1 4 4 SER CA C 4 58.290 58.290 58.612 -0.322 19906 4381 1 12 . 1 1 4 4 SER CB C 4 63.790 63.790 63.784 0.006 19906 4382 1 12 . 1 1 5 5 GLU N N 5 121.960 121.960 124.056 -2.096 19906 4383 1 12 . 1 1 5 5 GLU HA H 5 4.410 4.410 4.494 -0.084 19906 4384 1 12 . 1 1 5 5 GLU CA C 5 55.610 55.610 56.154 -0.543 19906 4385 1 12 . 1 1 5 5 GLU CB C 5 31.950 31.950 30.468 1.482 19906 4386 1 12 . 1 1 5 5 GLU H H 5 8.450 8.450 8.313 0.137 19906 4387 1 12 . 1 1 6 6 VAL N N 6 122.170 122.170 122.917 -0.747 19906 4388 1 12 . 1 1 6 6 VAL HA H 6 4.070 4.070 4.310 -0.240 19906 4389 1 12 . 1 1 6 6 VAL CA C 6 56.380 56.380 60.022 -3.642 19906 4390 1 12 . 1 1 6 6 VAL CB C 6 29.500 29.500 32.207 -2.707 19906 4391 1 12 . 1 1 6 6 VAL H H 6 8.260 8.260 8.347 -0.087 19906 4392 1 12 . 1 1 9 9 LEU N N 9 123.830 123.830 120.863 2.967 19906 4393 1 12 . 1 1 9 9 LEU HA H 9 4.490 4.490 4.391 0.099 19906 4394 1 12 . 1 1 9 9 LEU CA C 9 54.820 54.820 54.912 -0.092 19906 4395 1 12 . 1 1 9 9 LEU CB C 9 41.930 41.930 41.880 0.050 19906 4396 1 12 . 1 1 9 9 LEU H H 9 7.770 7.770 7.771 -0.001 19906 4397 1 12 . 1 1 11 11 ASP HA H 11 4.730 4.730 4.898 -0.168 19906 4398 1 12 . 1 1 11 11 ASP CA C 11 53.060 53.060 53.454 -0.394 19906 4399 1 12 . 1 1 11 11 ASP CB C 11 38.110 38.110 42.139 -4.029 19906 4400 1 12 . 1 1 12 12 LEU N N 12 122.730 122.730 121.892 0.838 19906 4401 1 12 . 1 1 12 12 LEU HA H 12 4.660 4.660 4.356 0.304 19906 4402 1 12 . 1 1 12 12 LEU CA C 12 55.130 55.130 55.684 -0.554 19906 4403 1 12 . 1 1 12 12 LEU CB C 12 43.390 43.390 43.015 0.375 19906 4404 1 12 . 1 1 12 12 LEU H H 12 7.420 7.420 8.397 -0.977 19906 4405 1 12 . 1 1 13 13 SER N N 13 120.760 120.760 118.196 2.564 19906 4406 1 12 . 1 1 13 13 SER HA H 13 4.270 4.270 4.771 -0.501 19906 4407 1 12 . 1 1 13 13 SER CA C 13 56.880 56.880 57.307 -0.427 19906 4408 1 12 . 1 1 13 13 SER CB C 13 65.890 65.890 66.211 -0.321 19906 4409 1 12 . 1 1 13 13 SER H H 13 9.020 9.020 8.191 0.829 19906 4410 1 12 . 1 1 14 14 PHE N N 14 119.920 119.920 119.617 0.303 19906 4411 1 12 . 1 1 14 14 PHE HA H 14 5.510 5.510 4.936 0.574 19906 4412 1 12 . 1 1 14 14 PHE CA C 14 56.760 56.760 56.883 -0.123 19906 4413 1 12 . 1 1 14 14 PHE CB C 14 39.930 39.930 41.411 -1.481 19906 4414 1 12 . 1 1 14 14 PHE H H 14 8.370 8.370 8.833 -0.463 19906 4415 1 12 . 1 1 15 15 VAL N N 15 117.820 117.820 115.968 1.852 19906 4416 1 12 . 1 1 15 15 VAL HA H 15 4.680 4.680 4.614 0.066 19906 4417 1 12 . 1 1 15 15 VAL CA C 15 58.880 58.880 60.557 -1.677 19906 4418 1 12 . 1 1 15 15 VAL CB C 15 36.900 36.900 35.892 1.008 19906 4419 1 12 . 1 1 15 15 VAL H H 15 9.100 9.100 8.521 0.579 19906 4420 1 12 . 1 1 16 16 ASP N N 16 116.850 116.850 118.519 -1.669 19906 4421 1 12 . 1 1 16 16 ASP HA H 16 4.190 4.190 4.300 -0.110 19906 4422 1 12 . 1 1 16 16 ASP CA C 16 54.550 54.550 55.440 -0.889 19906 4423 1 12 . 1 1 16 16 ASP CB C 16 38.920 38.920 39.509 -0.589 19906 4424 1 12 . 1 1 16 16 ASP H H 16 8.520 8.520 8.804 -0.284 19906 4425 1 12 . 1 1 17 17 ILE N N 17 118.600 118.600 119.187 -0.587 19906 4426 1 12 . 1 1 17 17 ILE HA H 17 4.150 4.150 3.933 0.217 19906 4427 1 12 . 1 1 17 17 ILE CA C 17 63.190 63.190 63.007 0.183 19906 4428 1 12 . 1 1 17 17 ILE CB C 17 37.770 37.770 38.522 -0.752 19906 4429 1 12 . 1 1 17 17 ILE H H 17 8.150 8.150 7.926 0.224 19906 4430 1 12 . 1 1 18 18 THR N N 18 122.160 122.160 121.775 0.385 19906 4431 1 12 . 1 1 18 18 THR HA H 18 4.910 4.910 4.544 0.366 19906 4432 1 12 . 1 1 18 18 THR CA C 18 60.570 60.570 61.224 -0.654 19906 4433 1 12 . 1 1 18 18 THR CB C 18 70.600 70.600 70.348 0.252 19906 4434 1 12 . 1 1 18 18 THR H H 18 8.740 8.740 8.001 0.739 19906 4435 1 12 . 1 1 19 19 ASP N N 19 115.600 115.600 120.578 -4.978 19906 4436 1 12 . 1 1 19 19 ASP HA H 19 4.480 4.480 4.660 -0.180 19906 4437 1 12 . 1 1 19 19 ASP CA C 19 54.880 54.880 55.753 -0.873 19906 4438 1 12 . 1 1 19 19 ASP CB C 19 40.430 40.430 40.828 -0.398 19906 4439 1 12 . 1 1 19 19 ASP H H 19 8.450 8.450 8.359 0.091 19906 4440 1 12 . 1 1 20 20 SER N N 20 108.500 108.500 113.948 -5.448 19906 4441 1 12 . 1 1 20 20 SER HA H 20 4.620 4.620 4.744 -0.124 19906 4442 1 12 . 1 1 20 20 SER CA C 20 57.660 57.660 58.071 -0.411 19906 4443 1 12 . 1 1 20 20 SER CB C 20 66.090 66.090 64.585 1.505 19906 4444 1 12 . 1 1 20 20 SER H H 20 8.120 8.120 7.942 0.178 19906 4445 1 12 . 1 1 21 21 SER N N 21 116.590 116.590 114.854 1.736 19906 4446 1 12 . 1 1 21 21 SER HA H 21 5.230 5.230 5.497 -0.267 19906 4447 1 12 . 1 1 21 21 SER CA C 21 56.730 56.730 56.876 -0.146 19906 4448 1 12 . 1 1 21 21 SER CB C 21 66.730 66.730 65.300 1.430 19906 4449 1 12 . 1 1 21 21 SER H H 21 7.530 7.530 7.537 -0.007 19906 4450 1 12 . 1 1 22 22 ILE N N 22 113.850 113.850 116.846 -2.996 19906 4451 1 12 . 1 1 22 22 ILE HA H 22 4.490 4.490 4.698 -0.208 19906 4452 1 12 . 1 1 22 22 ILE CA C 22 60.320 60.320 59.317 1.003 19906 4453 1 12 . 1 1 22 22 ILE CB C 22 42.650 42.650 42.096 0.554 19906 4454 1 12 . 1 1 22 22 ILE H H 22 8.210 8.210 8.014 0.196 19906 4455 1 12 . 1 1 23 23 GLY N N 23 112.950 112.950 112.249 0.701 19906 4456 1 12 . 1 1 23 23 GLY CA C 23 44.110 44.110 43.952 0.158 19906 4457 1 12 . 1 1 23 23 GLY H H 23 8.300 8.300 8.480 -0.180 19906 4458 1 12 . 1 1 24 24 LEU N N 24 123.740 123.740 126.146 -2.406 19906 4459 1 12 . 1 1 24 24 LEU HA H 24 4.820 4.820 4.142 0.678 19906 4460 1 12 . 1 1 24 24 LEU CA C 24 53.930 53.930 55.314 -1.384 19906 4461 1 12 . 1 1 24 24 LEU CB C 24 42.470 42.470 41.795 0.675 19906 4462 1 12 . 1 1 24 24 LEU H H 24 8.820 8.820 7.760 1.060 19906 4463 1 12 . 1 1 25 25 ARG N N 25 119.980 119.980 124.807 -4.827 19906 4464 1 12 . 1 1 25 25 ARG HA H 25 4.890 4.890 5.195 -0.305 19906 4465 1 12 . 1 1 25 25 ARG CA C 25 54.040 54.040 55.204 -1.164 19906 4466 1 12 . 1 1 25 25 ARG CB C 25 33.850 33.850 34.468 -0.618 19906 4467 1 12 . 1 1 25 25 ARG H H 25 8.570 8.570 7.995 0.575 19906 4468 1 12 . 1 1 26 26 TRP N N 26 122.480 122.480 126.327 -3.847 19906 4469 1 12 . 1 1 26 26 TRP HA H 26 4.840 4.840 5.097 -0.257 19906 4470 1 12 . 1 1 26 26 TRP CA C 26 56.790 56.790 54.810 1.980 19906 4471 1 12 . 1 1 26 26 TRP CB C 26 31.460 31.460 31.368 0.092 19906 4472 1 12 . 1 1 26 26 TRP H H 26 7.960 7.960 8.452 -0.492 19906 4473 1 12 . 1 1 27 27 THR N N 27 119.820 119.820 118.164 1.656 19906 4474 1 12 . 1 1 27 27 THR HA H 27 4.750 4.750 4.319 0.431 19906 4475 1 12 . 1 1 27 27 THR CA C 27 60.690 60.690 59.771 0.919 19906 4476 1 12 . 1 1 27 27 THR CB C 27 68.460 68.460 68.699 -0.239 19906 4477 1 12 . 1 1 27 27 THR H H 27 9.780 9.780 8.047 1.733 19906 4478 1 12 . 1 1 28 28 PRO HA H 28 4.470 4.470 2.982 1.488 19906 4479 1 12 . 1 1 28 28 PRO CA C 28 63.260 63.260 62.379 0.881 19906 4480 1 12 . 1 1 28 28 PRO CB C 28 31.980 31.980 31.866 0.115 19906 4481 1 12 . 1 1 29 29 LEU N N 29 124.220 124.220 121.348 2.872 19906 4482 1 12 . 1 1 29 29 LEU HA H 29 4.490 4.490 4.305 0.185 19906 4483 1 12 . 1 1 29 29 LEU CA C 29 54.150 54.150 54.408 -0.258 19906 4484 1 12 . 1 1 29 29 LEU CB C 29 43.040 43.040 42.090 0.950 19906 4485 1 12 . 1 1 29 29 LEU H H 29 8.570 8.570 8.007 0.563 19906 4486 1 12 . 1 1 30 30 ASN N N 30 119.950 119.950 122.734 -2.784 19906 4487 1 12 . 1 1 30 30 ASN HA H 30 4.700 4.700 4.370 0.330 19906 4488 1 12 . 1 1 30 30 ASN CA C 30 53.570 53.570 55.895 -2.325 19906 4489 1 12 . 1 1 30 30 ASN CB C 30 38.340 38.340 38.437 -0.097 19906 4490 1 12 . 1 1 30 30 ASN H H 30 8.630 8.630 8.882 -0.252 19906 4491 1 12 . 1 1 31 31 SER N N 31 114.290 114.290 113.295 0.995 19906 4492 1 12 . 1 1 31 31 SER HA H 31 4.560 4.560 4.414 0.146 19906 4493 1 12 . 1 1 31 31 SER CA C 31 57.500 57.500 59.237 -1.737 19906 4494 1 12 . 1 1 31 31 SER CB C 31 63.480 63.480 63.467 0.013 19906 4495 1 12 . 1 1 31 31 SER H H 31 8.090 8.090 7.985 0.105 19906 4496 1 12 . 1 1 32 32 SER HA H 32 4.560 4.560 4.448 0.112 19906 4497 1 12 . 1 1 32 32 SER CA C 32 58.140 58.140 59.267 -1.127 19906 4498 1 12 . 1 1 32 32 SER CB C 32 63.730 63.730 63.766 -0.036 19906 4499 1 12 . 1 1 33 33 THR N N 33 114.160 114.160 119.258 -5.098 19906 4500 1 12 . 1 1 33 33 THR HA H 33 4.300 4.300 4.251 0.049 19906 4501 1 12 . 1 1 33 33 THR CA C 33 63.620 63.620 62.895 0.725 19906 4502 1 12 . 1 1 33 33 THR CB C 33 69.530 69.530 69.500 0.030 19906 4503 1 12 . 1 1 33 33 THR H H 33 8.000 8.000 8.253 -0.253 19906 4504 1 12 . 1 1 34 34 ILE N N 34 121.090 121.090 125.217 -4.127 19906 4505 1 12 . 1 1 34 34 ILE HA H 34 4.300 4.300 4.203 0.097 19906 4506 1 12 . 1 1 34 34 ILE CA C 34 61.920 61.920 59.919 2.001 19906 4507 1 12 . 1 1 34 34 ILE CB C 34 38.080 38.080 36.124 1.956 19906 4508 1 12 . 1 1 34 34 ILE H H 34 7.980 7.980 8.566 -0.586 19906 4509 1 12 . 1 1 35 35 ILE N N 35 126.230 126.230 123.305 2.925 19906 4510 1 12 . 1 1 35 35 ILE HA H 35 4.220 4.220 4.486 -0.266 19906 4511 1 12 . 1 1 35 35 ILE CA C 35 61.720 61.720 58.407 3.313 19906 4512 1 12 . 1 1 35 35 ILE CB C 35 38.790 38.790 41.362 -2.572 19906 4513 1 12 . 1 1 35 35 ILE H H 35 8.810 8.810 7.342 1.468 19906 4514 1 12 . 1 1 36 36 GLY CA C 36 45.520 45.520 45.212 0.308 19906 4515 1 12 . 1 1 37 37 TYR N N 37 120.400 120.400 124.396 -3.996 19906 4516 1 12 . 1 1 37 37 TYR HA H 37 5.070 5.070 4.447 0.623 19906 4517 1 12 . 1 1 37 37 TYR CA C 37 57.930 57.930 58.561 -0.631 19906 4518 1 12 . 1 1 37 37 TYR CB C 37 38.950 38.950 39.522 -0.572 19906 4519 1 12 . 1 1 37 37 TYR H H 37 7.340 7.340 7.877 -0.537 19906 4520 1 12 . 1 1 38 38 ARG HA H 38 5.150 5.150 4.794 0.356 19906 4521 1 12 . 1 1 38 38 ARG CA C 38 54.450 54.450 54.515 -0.065 19906 4522 1 12 . 1 1 38 38 ARG CB C 38 31.530 31.530 31.782 -0.251 19906 4523 1 12 . 1 1 39 39 ILE N N 39 129.570 129.570 124.831 4.739 19906 4524 1 12 . 1 1 39 39 ILE HA H 39 5.060 5.060 4.426 0.634 19906 4525 1 12 . 1 1 39 39 ILE CA C 39 60.030 60.030 60.226 -0.196 19906 4526 1 12 . 1 1 39 39 ILE CB C 39 40.780 40.780 38.176 2.604 19906 4527 1 12 . 1 1 39 39 ILE H H 39 9.040 9.040 8.320 0.720 19906 4528 1 12 . 1 1 40 40 THR N N 40 120.430 120.430 123.690 -3.260 19906 4529 1 12 . 1 1 40 40 THR HA H 40 5.210 5.210 4.540 0.670 19906 4530 1 12 . 1 1 40 40 THR CA C 40 61.130 61.130 61.460 -0.330 19906 4531 1 12 . 1 1 40 40 THR CB C 40 71.090 71.090 70.427 0.663 19906 4532 1 12 . 1 1 40 40 THR H H 40 8.880 8.880 8.019 0.861 19906 4533 1 12 . 1 1 41 41 VAL HA H 41 5.030 5.030 4.484 0.546 19906 4534 1 12 . 1 1 41 41 VAL CA C 41 61.280 61.280 59.924 1.356 19906 4535 1 12 . 1 1 41 41 VAL CB C 41 33.800 33.800 34.385 -0.585 19906 4536 1 12 . 1 1 41 41 VAL H H 41 8.820 8.820 8.531 0.289 19906 4537 1 12 . 1 1 42 42 VAL N N 42 127.670 127.670 125.663 2.007 19906 4538 1 12 . 1 1 42 42 VAL HA H 42 4.650 4.650 4.348 0.302 19906 4539 1 12 . 1 1 42 42 VAL CA C 42 60.320 60.320 60.193 0.127 19906 4540 1 12 . 1 1 42 42 VAL CB C 42 35.800 35.800 36.185 -0.386 19906 4541 1 12 . 1 1 42 42 VAL H H 42 9.100 9.100 9.127 -0.027 19906 4542 1 12 . 1 1 43 43 ALA N N 43 131.340 131.340 128.547 2.793 19906 4543 1 12 . 1 1 43 43 ALA HA H 43 4.410 4.410 3.868 0.542 19906 4544 1 12 . 1 1 43 43 ALA CA C 43 52.420 52.420 50.740 1.680 19906 4545 1 12 . 1 1 43 43 ALA CB C 43 18.750 18.750 19.779 -1.029 19906 4546 1 12 . 1 1 43 43 ALA H H 43 9.420 9.420 8.468 0.952 19906 4547 1 12 . 1 1 44 44 ALA N N 44 126.040 126.040 125.496 0.544 19906 4548 1 12 . 1 1 44 44 ALA HA H 44 4.120 4.120 4.351 -0.231 19906 4549 1 12 . 1 1 44 44 ALA CA C 44 53.790 53.790 52.820 0.970 19906 4550 1 12 . 1 1 44 44 ALA CB C 44 18.680 18.680 19.578 -0.898 19906 4551 1 12 . 1 1 44 44 ALA H H 44 8.260 8.260 7.835 0.425 19906 4552 1 12 . 1 1 45 45 GLY CA C 45 45.620 45.620 44.877 0.743 19906 4553 1 12 . 1 1 45 45 GLY H H 45 8.700 8.700 8.330 0.370 19906 4554 1 12 . 1 1 46 46 GLU N N 46 119.650 119.650 118.654 0.996 19906 4555 1 12 . 1 1 46 46 GLU HA H 46 4.470 4.470 4.421 0.049 19906 4556 1 12 . 1 1 46 46 GLU CA C 46 55.870 55.870 55.157 0.713 19906 4557 1 12 . 1 1 46 46 GLU CB C 46 30.520 30.520 31.700 -1.180 19906 4558 1 12 . 1 1 46 46 GLU H H 46 8.110 8.110 7.313 0.797 19906 4559 1 12 . 1 1 47 47 GLY N N 47 107.160 107.160 109.844 -2.684 19906 4560 1 12 . 1 1 47 47 GLY CA C 47 45.910 45.910 45.790 0.120 19906 4561 1 12 . 1 1 47 47 GLY H H 47 8.400 8.400 8.657 -0.257 19906 4562 1 12 . 1 1 48 48 ILE N N 48 120.010 120.010 120.716 -0.706 19906 4563 1 12 . 1 1 48 48 ILE HA H 48 4.620 4.620 4.361 0.259 19906 4564 1 12 . 1 1 48 48 ILE CA C 48 58.500 58.500 57.835 0.665 19906 4565 1 12 . 1 1 48 48 ILE CB C 48 39.400 39.400 41.291 -1.891 19906 4566 1 12 . 1 1 48 48 ILE H H 48 7.440 7.440 7.471 -0.031 19906 4567 1 12 . 1 1 49 49 PRO HA H 49 4.530 4.530 4.474 0.056 19906 4568 1 12 . 1 1 49 49 PRO CA C 49 63.590 63.590 62.162 1.428 19906 4569 1 12 . 1 1 49 49 PRO CB C 49 31.880 31.880 32.275 -0.395 19906 4570 1 12 . 1 1 50 50 ILE N N 50 122.120 122.120 119.998 2.122 19906 4571 1 12 . 1 1 50 50 ILE HA H 50 4.150 4.150 3.899 0.251 19906 4572 1 12 . 1 1 50 50 ILE CA C 50 63.310 63.310 61.335 1.975 19906 4573 1 12 . 1 1 50 50 ILE CB C 50 38.020 38.020 38.769 -0.749 19906 4574 1 12 . 1 1 50 50 ILE H H 50 8.720 8.720 8.006 0.714 19906 4575 1 12 . 1 1 51 51 PHE HA H 51 4.770 4.770 4.473 0.297 19906 4576 1 12 . 1 1 51 51 PHE CA C 51 57.900 57.900 57.598 0.302 19906 4577 1 12 . 1 1 51 51 PHE CB C 51 41.870 41.870 39.645 2.225 19906 4578 1 12 . 1 1 52 52 GLU HA H 52 5.350 5.350 4.248 1.102 19906 4579 1 12 . 1 1 52 52 GLU CA C 52 55.140 55.140 55.372 -0.232 19906 4580 1 12 . 1 1 52 52 GLU CB C 52 32.030 32.030 30.524 1.506 19906 4581 1 12 . 1 1 53 53 ASP N N 53 122.750 122.750 121.845 0.905 19906 4582 1 12 . 1 1 53 53 ASP HA H 53 5.000 5.000 4.813 0.187 19906 4583 1 12 . 1 1 53 53 ASP CA C 53 52.950 52.950 53.020 -0.070 19906 4584 1 12 . 1 1 53 53 ASP CB C 53 44.770 44.770 44.504 0.266 19906 4585 1 12 . 1 1 53 53 ASP H H 53 8.850 8.850 7.861 0.989 19906 4586 1 12 . 1 1 54 54 PHE N N 54 121.100 121.100 118.664 2.436 19906 4587 1 12 . 1 1 54 54 PHE HA H 54 5.380 5.380 5.297 0.083 19906 4588 1 12 . 1 1 54 54 PHE CA C 54 56.180 56.180 56.210 -0.030 19906 4589 1 12 . 1 1 54 54 PHE CB C 54 42.110 42.110 41.096 1.014 19906 4590 1 12 . 1 1 54 54 PHE H H 54 8.770 8.770 8.733 0.037 19906 4591 1 12 . 1 1 55 55 VAL N N 55 125.760 125.760 124.157 1.603 19906 4592 1 12 . 1 1 55 55 VAL HA H 55 4.320 4.320 4.424 -0.104 19906 4593 1 12 . 1 1 55 55 VAL CA C 55 59.140 59.140 59.204 -0.064 19906 4594 1 12 . 1 1 55 55 VAL CB C 55 34.940 34.940 36.163 -1.223 19906 4595 1 12 . 1 1 55 55 VAL H H 55 8.290 8.290 8.395 -0.105 19906 4596 1 12 . 1 1 56 56 ASP N N 56 127.100 127.100 127.733 -0.633 19906 4597 1 12 . 1 1 56 56 ASP HA H 56 4.560 4.560 4.559 0.001 19906 4598 1 12 . 1 1 56 56 ASP CA C 56 54.980 54.980 55.162 -0.182 19906 4599 1 12 . 1 1 56 56 ASP CB C 56 42.730 42.730 41.911 0.819 19906 4600 1 12 . 1 1 56 56 ASP H H 56 8.460 8.460 8.690 -0.230 19906 4601 1 12 . 1 1 57 57 SER N N 57 119.630 119.630 118.394 1.236 19906 4602 1 12 . 1 1 57 57 SER HA H 57 4.330 4.330 4.526 -0.196 19906 4603 1 12 . 1 1 57 57 SER CA C 57 60.630 60.630 61.138 -0.508 19906 4604 1 12 . 1 1 57 57 SER CB C 57 62.680 62.680 63.473 -0.793 19906 4605 1 12 . 1 1 57 57 SER H H 57 8.260 8.260 8.611 -0.351 19906 4606 1 12 . 1 1 58 58 SER N N 58 117.030 117.030 115.984 1.046 19906 4607 1 12 . 1 1 58 58 SER HA H 58 4.400 4.400 4.326 0.074 19906 4608 1 12 . 1 1 58 58 SER CA C 58 60.430 60.430 60.573 -0.143 19906 4609 1 12 . 1 1 58 58 SER CB C 58 63.700 63.700 63.049 0.651 19906 4610 1 12 . 1 1 58 58 SER H H 58 9.080 9.080 8.394 0.686 19906 4611 1 12 . 1 1 59 59 VAL N N 59 119.350 119.350 119.292 0.058 19906 4612 1 12 . 1 1 59 59 VAL HA H 59 3.790 3.790 3.965 -0.175 19906 4613 1 12 . 1 1 59 59 VAL CA C 59 65.670 65.670 64.417 1.253 19906 4614 1 12 . 1 1 59 59 VAL CB C 59 32.400 32.400 31.944 0.456 19906 4615 1 12 . 1 1 59 59 VAL H H 59 7.570 7.570 7.474 0.096 19906 4616 1 12 . 1 1 60 60 GLY N N 60 104.070 104.070 105.397 -1.327 19906 4617 1 12 . 1 1 60 60 GLY CA C 60 44.430 44.430 46.339 -1.909 19906 4618 1 12 . 1 1 60 60 GLY H H 60 6.120 6.120 7.796 -1.676 19906 4619 1 12 . 1 1 61 61 TYR N N 61 117.690 117.690 118.145 -0.455 19906 4620 1 12 . 1 1 61 61 TYR HA H 61 5.030 5.030 5.515 -0.485 19906 4621 1 12 . 1 1 61 61 TYR CA C 61 56.320 56.320 56.532 -0.212 19906 4622 1 12 . 1 1 61 61 TYR CB C 61 41.700 41.700 41.381 0.319 19906 4623 1 12 . 1 1 61 61 TYR H H 61 6.080 6.080 7.646 -1.566 19906 4624 1 12 . 1 1 62 62 TYR N N 62 126.650 126.650 124.743 1.907 19906 4625 1 12 . 1 1 62 62 TYR HA H 62 4.440 4.440 4.258 0.182 19906 4626 1 12 . 1 1 62 62 TYR CA C 62 58.560 58.560 57.274 1.286 19906 4627 1 12 . 1 1 62 62 TYR CB C 62 43.550 43.550 42.475 1.075 19906 4628 1 12 . 1 1 62 62 TYR H H 62 8.440 8.440 7.804 0.636 19906 4629 1 12 . 1 1 63 63 THR N N 63 122.160 122.160 118.805 3.355 19906 4630 1 12 . 1 1 63 63 THR HA H 63 4.780 4.780 4.547 0.233 19906 4631 1 12 . 1 1 63 63 THR CA C 63 61.610 61.610 60.863 0.747 19906 4632 1 12 . 1 1 63 63 THR CB C 63 69.810 69.810 70.429 -0.619 19906 4633 1 12 . 1 1 63 63 THR H H 63 7.380 7.380 6.936 0.444 19906 4634 1 12 . 1 1 64 64 VAL N N 64 127.940 127.940 122.664 5.276 19906 4635 1 12 . 1 1 64 64 VAL HA H 64 3.660 3.660 4.587 -0.927 19906 4636 1 12 . 1 1 64 64 VAL CA C 64 61.840 61.840 60.648 1.192 19906 4637 1 12 . 1 1 64 64 VAL CB C 64 31.840 31.840 32.519 -0.679 19906 4638 1 12 . 1 1 64 64 VAL H H 64 8.860 8.860 8.040 0.820 19906 4639 1 12 . 1 1 65 65 THR N N 65 116.150 116.150 115.472 0.678 19906 4640 1 12 . 1 1 65 65 THR HA H 65 4.640 4.640 5.224 -0.584 19906 4641 1 12 . 1 1 65 65 THR CA C 65 59.470 59.470 59.555 -0.085 19906 4642 1 12 . 1 1 65 65 THR CB C 65 71.160 71.160 71.377 -0.217 19906 4643 1 12 . 1 1 65 65 THR H H 65 7.290 7.290 8.215 -0.925 19906 4644 1 12 . 1 1 66 66 GLY N N 66 105.560 105.560 109.588 -4.028 19906 4645 1 12 . 1 1 66 66 GLY CA C 66 45.860 45.860 44.852 1.008 19906 4646 1 12 . 1 1 66 66 GLY H H 66 8.450 8.450 8.608 -0.158 19906 4647 1 12 . 1 1 67 67 LEU N N 67 119.080 119.080 120.742 -1.662 19906 4648 1 12 . 1 1 67 67 LEU HA H 67 4.180 4.180 4.017 0.163 19906 4649 1 12 . 1 1 67 67 LEU CA C 67 53.380 53.380 52.578 0.802 19906 4650 1 12 . 1 1 67 67 LEU CB C 67 41.630 41.630 41.431 0.199 19906 4651 1 12 . 1 1 67 67 LEU H H 67 7.850 7.850 7.430 0.420 19906 4652 1 12 . 1 1 68 68 GLU N N 68 120.030 120.030 123.978 -3.948 19906 4653 1 12 . 1 1 68 68 GLU HA H 68 4.920 4.920 4.368 0.552 19906 4654 1 12 . 1 1 68 68 GLU CA C 68 52.510 52.510 54.845 -2.335 19906 4655 1 12 . 1 1 68 68 GLU CB C 68 31.040 31.040 29.147 1.893 19906 4656 1 12 . 1 1 68 68 GLU H H 68 8.500 8.500 8.313 0.187 19906 4657 1 12 . 1 1 69 69 PRO HA H 69 4.470 4.470 4.354 0.116 19906 4658 1 12 . 1 1 69 69 PRO CA C 69 62.740 62.740 63.071 -0.331 19906 4659 1 12 . 1 1 69 69 PRO CB C 69 31.410 31.410 32.303 -0.893 19906 4660 1 12 . 1 1 70 70 GLY N N 70 106.940 106.940 108.416 -1.476 19906 4661 1 12 . 1 1 70 70 GLY CA C 70 45.830 45.830 45.473 0.357 19906 4662 1 12 . 1 1 70 70 GLY H H 70 8.500 8.500 8.610 -0.110 19906 4663 1 12 . 1 1 71 71 ILE N N 71 120.080 120.080 120.778 -0.698 19906 4664 1 12 . 1 1 71 71 ILE HA H 71 4.080 4.080 4.231 -0.151 19906 4665 1 12 . 1 1 71 71 ILE CA C 71 58.710 58.710 59.962 -1.252 19906 4666 1 12 . 1 1 71 71 ILE CB C 71 40.410 40.410 40.340 0.070 19906 4667 1 12 . 1 1 71 71 ILE H H 71 7.510 7.510 7.508 0.002 19906 4668 1 12 . 1 1 72 72 ASP N N 72 124.920 124.920 127.403 -2.483 19906 4669 1 12 . 1 1 72 72 ASP HA H 72 4.930 4.930 4.611 0.319 19906 4670 1 12 . 1 1 72 72 ASP CA C 72 54.260 54.260 53.721 0.539 19906 4671 1 12 . 1 1 72 72 ASP CB C 72 41.120 41.120 41.201 -0.081 19906 4672 1 12 . 1 1 72 72 ASP H H 72 8.190 8.190 8.522 -0.332 19906 4673 1 12 . 1 1 73 73 TYR N N 73 122.440 122.440 125.297 -2.857 19906 4674 1 12 . 1 1 73 73 TYR HA H 73 5.070 5.070 4.744 0.326 19906 4675 1 12 . 1 1 73 73 TYR CA C 73 57.390 57.390 57.755 -0.365 19906 4676 1 12 . 1 1 73 73 TYR CB C 73 40.550 40.550 40.512 0.038 19906 4677 1 12 . 1 1 73 73 TYR H H 73 9.310 9.310 8.352 0.958 19906 4678 1 12 . 1 1 74 74 ASP N N 74 122.980 122.980 126.455 -3.475 19906 4679 1 12 . 1 1 74 74 ASP HA H 74 5.220 5.220 4.928 0.292 19906 4680 1 12 . 1 1 74 74 ASP CA C 74 53.900 53.900 54.207 -0.307 19906 4681 1 12 . 1 1 74 74 ASP CB C 74 42.120 42.120 41.591 0.529 19906 4682 1 12 . 1 1 74 74 ASP H H 74 9.290 9.290 8.914 0.376 19906 4683 1 12 . 1 1 75 75 ILE N N 75 124.270 124.270 120.630 3.640 19906 4684 1 12 . 1 1 75 75 ILE HA H 75 5.470 5.470 4.728 0.742 19906 4685 1 12 . 1 1 75 75 ILE CA C 75 58.400 58.400 58.204 0.196 19906 4686 1 12 . 1 1 75 75 ILE CB C 75 40.900 40.900 40.608 0.293 19906 4687 1 12 . 1 1 75 75 ILE H H 75 8.810 8.810 8.228 0.582 19906 4688 1 12 . 1 1 76 76 SER N N 76 121.300 121.300 116.277 5.023 19906 4689 1 12 . 1 1 76 76 SER HA H 76 5.800 5.800 4.687 1.113 19906 4690 1 12 . 1 1 76 76 SER CA C 76 56.340 56.340 57.634 -1.294 19906 4691 1 12 . 1 1 76 76 SER CB C 76 66.180 66.180 65.004 1.176 19906 4692 1 12 . 1 1 76 76 SER H H 76 8.760 8.760 8.366 0.394 19906 4693 1 12 . 1 1 77 77 VAL N N 77 124.740 124.740 121.584 3.156 19906 4694 1 12 . 1 1 77 77 VAL HA H 77 4.760 4.760 4.229 0.531 19906 4695 1 12 . 1 1 77 77 VAL CA C 77 61.190 61.190 61.953 -0.763 19906 4696 1 12 . 1 1 77 77 VAL CB C 77 33.270 33.270 31.846 1.424 19906 4697 1 12 . 1 1 77 77 VAL H H 77 9.420 9.420 8.368 1.052 19906 4698 1 12 . 1 1 78 78 ILE N N 78 126.300 126.300 129.396 -3.096 19906 4699 1 12 . 1 1 78 78 ILE HA H 78 4.710 4.710 4.289 0.421 19906 4700 1 12 . 1 1 78 78 ILE CA C 78 61.160 61.160 61.185 -0.025 19906 4701 1 12 . 1 1 78 78 ILE CB C 78 41.050 41.050 38.280 2.770 19906 4702 1 12 . 1 1 78 78 ILE H H 78 9.370 9.370 8.470 0.900 19906 4703 1 12 . 1 1 79 79 THR N N 79 122.350 122.350 123.744 -1.394 19906 4704 1 12 . 1 1 79 79 THR HA H 79 4.280 4.280 4.405 -0.125 19906 4705 1 12 . 1 1 79 79 THR CA C 79 64.260 64.260 61.627 2.633 19906 4706 1 12 . 1 1 79 79 THR CB C 79 69.130 69.130 69.373 -0.242 19906 4707 1 12 . 1 1 79 79 THR H H 79 8.550 8.550 8.441 0.109 19906 4708 1 12 . 1 1 80 80 LEU N N 80 128.900 128.900 130.429 -1.529 19906 4709 1 12 . 1 1 80 80 LEU HA H 80 4.730 4.730 4.743 -0.013 19906 4710 1 12 . 1 1 80 80 LEU CA C 80 54.060 54.060 54.480 -0.420 19906 4711 1 12 . 1 1 80 80 LEU CB C 80 41.470 41.470 44.001 -2.531 19906 4712 1 12 . 1 1 80 80 LEU H H 80 8.660 8.660 8.747 -0.087 19906 4713 1 12 . 1 1 81 81 ILE N N 81 121.640 121.640 120.105 1.535 19906 4714 1 12 . 1 1 81 81 ILE HA H 81 4.870 4.870 4.414 0.456 19906 4715 1 12 . 1 1 81 81 ILE CA C 81 59.300 59.300 60.073 -0.773 19906 4716 1 12 . 1 1 81 81 ILE CB C 81 40.510 40.510 41.467 -0.957 19906 4717 1 12 . 1 1 81 81 ILE H H 81 8.350 8.350 8.167 0.183 19906 4718 1 12 . 1 1 82 82 ASN N N 82 123.240 123.240 122.937 0.303 19906 4719 1 12 . 1 1 82 82 ASN HA H 82 4.640 4.640 4.500 0.140 19906 4720 1 12 . 1 1 82 82 ASN CA C 82 53.450 53.450 54.819 -1.369 19906 4721 1 12 . 1 1 82 82 ASN CB C 82 38.940 38.940 39.056 -0.116 19906 4722 1 12 . 1 1 82 82 ASN H H 82 8.820 8.820 8.792 0.028 19906 4723 1 12 . 1 1 83 83 GLY N N 83 112.680 112.680 107.876 4.804 19906 4724 1 12 . 1 1 83 83 GLY CA C 83 45.420 45.420 45.969 -0.549 19906 4725 1 12 . 1 1 83 83 GLY H H 83 8.630 8.630 8.663 -0.033 19906 4726 1 12 . 1 1 84 84 GLY N N 84 108.560 108.560 109.453 -0.893 19906 4727 1 12 . 1 1 84 84 GLY CA C 84 45.190 45.190 44.253 0.937 19906 4728 1 12 . 1 1 84 84 GLY H H 84 8.280 8.280 8.035 0.245 19906 4729 1 12 . 1 1 85 85 GLU N N 85 120.690 120.690 125.036 -4.346 19906 4730 1 12 . 1 1 85 85 GLU HA H 85 4.320 4.320 4.487 -0.167 19906 4731 1 12 . 1 1 85 85 GLU CA C 85 56.480 56.480 55.746 0.734 19906 4732 1 12 . 1 1 85 85 GLU CB C 85 30.480 30.480 30.748 -0.268 19906 4733 1 12 . 1 1 85 85 GLU H H 85 8.460 8.460 8.269 0.191 19906 4734 1 12 . 1 1 86 86 SER N N 86 116.860 116.860 117.948 -1.088 19906 4735 1 12 . 1 1 86 86 SER HA H 86 4.430 4.430 4.472 -0.042 19906 4736 1 12 . 1 1 86 86 SER CA C 86 57.920 57.920 58.586 -0.666 19906 4737 1 12 . 1 1 86 86 SER CB C 86 63.720 63.720 63.539 0.181 19906 4738 1 12 . 1 1 86 86 SER H H 86 8.350 8.350 8.399 -0.049 19906 4739 1 12 . 1 1 87 87 ALA N N 87 126.890 126.890 124.999 1.891 19906 4740 1 12 . 1 1 87 87 ALA HA H 87 4.580 4.580 4.245 0.335 19906 4741 1 12 . 1 1 87 87 ALA CA C 87 50.450 50.450 51.496 -1.046 19906 4742 1 12 . 1 1 87 87 ALA CB C 87 18.110 18.110 17.175 0.935 19906 4743 1 12 . 1 1 87 87 ALA H H 87 8.240 8.240 8.077 0.163 19906 4744 1 12 . 1 1 88 88 PRO HA H 88 4.470 4.470 4.576 -0.106 19906 4745 1 12 . 1 1 88 88 PRO CA C 88 62.960 62.960 62.940 0.020 19906 4746 1 12 . 1 1 88 88 PRO CB C 88 31.460 31.460 32.239 -0.779 19906 4747 1 12 . 1 1 89 89 THR N N 89 114.280 114.280 113.551 0.729 19906 4748 1 12 . 1 1 89 89 THR HA H 89 4.340 4.340 4.541 -0.201 19906 4749 1 12 . 1 1 89 89 THR CA C 89 62.320 62.320 60.809 1.511 19906 4750 1 12 . 1 1 89 89 THR CB C 89 69.530 69.530 70.573 -1.043 19906 4751 1 12 . 1 1 89 89 THR H H 89 8.270 8.270 8.166 0.104 19906 4752 1 12 . 1 1 90 90 THR N N 90 116.290 116.290 115.554 0.736 19906 4753 1 12 . 1 1 90 90 THR HA H 90 4.330 4.330 4.583 -0.253 19906 4754 1 12 . 1 1 90 90 THR CA C 90 61.890 61.890 61.480 0.410 19906 4755 1 12 . 1 1 90 90 THR CB C 90 69.500 69.500 69.689 -0.189 19906 4756 1 12 . 1 1 90 90 THR H H 90 8.090 8.090 8.603 -0.513 19906 4757 1 12 . 1 1 91 91 LEU N N 91 124.660 124.660 122.461 2.199 19906 4758 1 12 . 1 1 91 91 LEU HA H 91 4.410 4.410 4.622 -0.212 19906 4759 1 12 . 1 1 91 91 LEU CA C 91 55.590 55.590 54.315 1.275 19906 4760 1 12 . 1 1 91 91 LEU CB C 91 41.600 41.600 42.175 -0.575 19906 4761 1 12 . 1 1 91 91 LEU H H 91 8.290 8.290 8.316 -0.026 19906 4762 1 12 . 1 1 92 92 THR N N 92 115.030 115.030 116.979 -1.949 19906 4763 1 12 . 1 1 92 92 THR HA H 92 4.300 4.300 4.359 -0.059 19906 4764 1 12 . 1 1 92 92 THR CA C 92 61.890 61.890 61.393 0.497 19906 4765 1 12 . 1 1 92 92 THR CB C 92 69.500 69.500 69.741 -0.241 19906 4766 1 12 . 1 1 92 92 THR H H 92 8.100 8.100 8.302 -0.202 19906 4767 1 12 . 1 1 93 93 GLN N N 93 123.200 123.200 122.000 1.200 19906 4768 1 12 . 1 1 93 93 GLN HA H 93 4.350 4.350 4.352 -0.002 19906 4769 1 12 . 1 1 93 93 GLN CA C 93 55.720 55.720 55.581 0.140 19906 4770 1 12 . 1 1 93 93 GLN CB C 93 29.050 29.050 29.451 -0.401 19906 4771 1 12 . 1 1 93 93 GLN H H 93 8.380 8.380 8.458 -0.078 19906 4772 1 12 . 1 1 94 94 GLN N N 94 122.720 122.720 123.618 -0.898 19906 4773 1 12 . 1 1 94 94 GLN HA H 94 4.400 4.400 4.231 0.169 19906 4774 1 12 . 1 1 94 94 GLN CA C 94 55.780 55.780 56.324 -0.544 19906 4775 1 12 . 1 1 94 94 GLN CB C 94 29.100 29.100 27.966 1.133 19906 4776 1 12 . 1 1 94 94 GLN H H 94 8.480 8.480 8.634 -0.154 19906 4777 1 13 . 1 1 4 4 SER HA H 4 4.400 4.400 4.596 -0.196 19906 4778 1 13 . 1 1 4 4 SER CA C 4 58.290 58.290 58.483 -0.193 19906 4779 1 13 . 1 1 4 4 SER CB C 4 63.790 63.790 64.890 -1.100 19906 4780 1 13 . 1 1 5 5 GLU N N 5 121.960 121.960 125.445 -3.485 19906 4781 1 13 . 1 1 5 5 GLU HA H 5 4.410 4.410 4.551 -0.141 19906 4782 1 13 . 1 1 5 5 GLU CA C 5 55.610 55.610 55.818 -0.208 19906 4783 1 13 . 1 1 5 5 GLU CB C 5 31.950 31.950 29.560 2.390 19906 4784 1 13 . 1 1 5 5 GLU H H 5 8.450 8.450 8.464 -0.014 19906 4785 1 13 . 1 1 6 6 VAL N N 6 122.170 122.170 120.376 1.794 19906 4786 1 13 . 1 1 6 6 VAL HA H 6 4.070 4.070 4.485 -0.415 19906 4787 1 13 . 1 1 6 6 VAL CA C 6 56.380 56.380 59.512 -3.132 19906 4788 1 13 . 1 1 6 6 VAL CB C 6 29.500 29.500 31.288 -1.788 19906 4789 1 13 . 1 1 6 6 VAL H H 6 8.260 8.260 8.291 -0.031 19906 4790 1 13 . 1 1 9 9 LEU N N 9 123.830 123.830 124.359 -0.529 19906 4791 1 13 . 1 1 9 9 LEU HA H 9 4.490 4.490 4.409 0.081 19906 4792 1 13 . 1 1 9 9 LEU CA C 9 54.820 54.820 55.965 -1.145 19906 4793 1 13 . 1 1 9 9 LEU CB C 9 41.930 41.930 42.520 -0.590 19906 4794 1 13 . 1 1 9 9 LEU H H 9 7.770 7.770 8.393 -0.623 19906 4795 1 13 . 1 1 11 11 ASP HA H 11 4.730 4.730 4.809 -0.079 19906 4796 1 13 . 1 1 11 11 ASP CA C 11 53.060 53.060 53.377 -0.317 19906 4797 1 13 . 1 1 11 11 ASP CB C 11 38.110 38.110 43.490 -5.380 19906 4798 1 13 . 1 1 12 12 LEU N N 12 122.730 122.730 123.197 -0.467 19906 4799 1 13 . 1 1 12 12 LEU HA H 12 4.660 4.660 4.279 0.381 19906 4800 1 13 . 1 1 12 12 LEU CA C 12 55.130 55.130 55.647 -0.517 19906 4801 1 13 . 1 1 12 12 LEU CB C 12 43.390 43.390 42.883 0.507 19906 4802 1 13 . 1 1 12 12 LEU H H 12 7.420 7.420 8.503 -1.083 19906 4803 1 13 . 1 1 13 13 SER N N 13 120.760 120.760 118.940 1.820 19906 4804 1 13 . 1 1 13 13 SER HA H 13 4.270 4.270 4.774 -0.504 19906 4805 1 13 . 1 1 13 13 SER CA C 13 56.880 56.880 57.279 -0.399 19906 4806 1 13 . 1 1 13 13 SER CB C 13 65.890 65.890 65.959 -0.069 19906 4807 1 13 . 1 1 13 13 SER H H 13 9.020 9.020 8.078 0.942 19906 4808 1 13 . 1 1 14 14 PHE N N 14 119.920 119.920 120.216 -0.296 19906 4809 1 13 . 1 1 14 14 PHE HA H 14 5.510 5.510 5.030 0.480 19906 4810 1 13 . 1 1 14 14 PHE CA C 14 56.760 56.760 56.559 0.200 19906 4811 1 13 . 1 1 14 14 PHE CB C 14 39.930 39.930 41.418 -1.488 19906 4812 1 13 . 1 1 14 14 PHE H H 14 8.370 8.370 8.747 -0.377 19906 4813 1 13 . 1 1 15 15 VAL N N 15 117.820 117.820 117.073 0.747 19906 4814 1 13 . 1 1 15 15 VAL HA H 15 4.680 4.680 4.556 0.124 19906 4815 1 13 . 1 1 15 15 VAL CA C 15 58.880 58.880 60.293 -1.413 19906 4816 1 13 . 1 1 15 15 VAL CB C 15 36.900 36.900 35.664 1.236 19906 4817 1 13 . 1 1 15 15 VAL H H 15 9.100 9.100 8.560 0.540 19906 4818 1 13 . 1 1 16 16 ASP N N 16 116.850 116.850 119.763 -2.913 19906 4819 1 13 . 1 1 16 16 ASP HA H 16 4.190 4.190 4.279 -0.089 19906 4820 1 13 . 1 1 16 16 ASP CA C 16 54.550 54.550 55.492 -0.942 19906 4821 1 13 . 1 1 16 16 ASP CB C 16 38.920 38.920 40.379 -1.459 19906 4822 1 13 . 1 1 16 16 ASP H H 16 8.520 8.520 8.786 -0.266 19906 4823 1 13 . 1 1 17 17 ILE N N 17 118.600 118.600 119.464 -0.864 19906 4824 1 13 . 1 1 17 17 ILE HA H 17 4.150 4.150 3.967 0.183 19906 4825 1 13 . 1 1 17 17 ILE CA C 17 63.190 63.190 62.891 0.299 19906 4826 1 13 . 1 1 17 17 ILE CB C 17 37.770 37.770 38.606 -0.836 19906 4827 1 13 . 1 1 17 17 ILE H H 17 8.150 8.150 7.971 0.179 19906 4828 1 13 . 1 1 18 18 THR N N 18 122.160 122.160 121.651 0.509 19906 4829 1 13 . 1 1 18 18 THR HA H 18 4.910 4.910 4.581 0.329 19906 4830 1 13 . 1 1 18 18 THR CA C 18 60.570 60.570 60.932 -0.362 19906 4831 1 13 . 1 1 18 18 THR CB C 18 70.600 70.600 70.474 0.126 19906 4832 1 13 . 1 1 18 18 THR H H 18 8.740 8.740 8.131 0.609 19906 4833 1 13 . 1 1 19 19 ASP N N 19 115.600 115.600 121.187 -5.587 19906 4834 1 13 . 1 1 19 19 ASP HA H 19 4.480 4.480 4.633 -0.153 19906 4835 1 13 . 1 1 19 19 ASP CA C 19 54.880 54.880 55.463 -0.583 19906 4836 1 13 . 1 1 19 19 ASP CB C 19 40.430 40.430 40.638 -0.208 19906 4837 1 13 . 1 1 19 19 ASP H H 19 8.450 8.450 8.579 -0.129 19906 4838 1 13 . 1 1 20 20 SER N N 20 108.500 108.500 113.763 -5.263 19906 4839 1 13 . 1 1 20 20 SER HA H 20 4.620 4.620 4.865 -0.245 19906 4840 1 13 . 1 1 20 20 SER CA C 20 57.660 57.660 58.392 -0.732 19906 4841 1 13 . 1 1 20 20 SER CB C 20 66.090 66.090 64.130 1.960 19906 4842 1 13 . 1 1 20 20 SER H H 20 8.120 8.120 8.024 0.096 19906 4843 1 13 . 1 1 21 21 SER N N 21 116.590 116.590 113.725 2.865 19906 4844 1 13 . 1 1 21 21 SER HA H 21 5.230 5.230 5.335 -0.105 19906 4845 1 13 . 1 1 21 21 SER CA C 21 56.730 56.730 57.316 -0.585 19906 4846 1 13 . 1 1 21 21 SER CB C 21 66.730 66.730 66.302 0.428 19906 4847 1 13 . 1 1 21 21 SER H H 21 7.530 7.530 7.526 0.004 19906 4848 1 13 . 1 1 22 22 ILE N N 22 113.850 113.850 114.909 -1.059 19906 4849 1 13 . 1 1 22 22 ILE HA H 22 4.490 4.490 4.778 -0.288 19906 4850 1 13 . 1 1 22 22 ILE CA C 22 60.320 60.320 59.348 0.972 19906 4851 1 13 . 1 1 22 22 ILE CB C 22 42.650 42.650 42.292 0.358 19906 4852 1 13 . 1 1 22 22 ILE H H 22 8.210 8.210 7.910 0.300 19906 4853 1 13 . 1 1 23 23 GLY N N 23 112.950 112.950 112.163 0.787 19906 4854 1 13 . 1 1 23 23 GLY CA C 23 44.110 44.110 43.938 0.172 19906 4855 1 13 . 1 1 23 23 GLY H H 23 8.300 8.300 8.552 -0.252 19906 4856 1 13 . 1 1 24 24 LEU N N 24 123.740 123.740 125.989 -2.249 19906 4857 1 13 . 1 1 24 24 LEU HA H 24 4.820 4.820 4.251 0.569 19906 4858 1 13 . 1 1 24 24 LEU CA C 24 53.930 53.930 55.580 -1.649 19906 4859 1 13 . 1 1 24 24 LEU CB C 24 42.470 42.470 42.025 0.445 19906 4860 1 13 . 1 1 24 24 LEU H H 24 8.820 8.820 7.683 1.137 19906 4861 1 13 . 1 1 25 25 ARG N N 25 119.980 119.980 124.606 -4.626 19906 4862 1 13 . 1 1 25 25 ARG HA H 25 4.890 4.890 4.604 0.286 19906 4863 1 13 . 1 1 25 25 ARG CA C 25 54.040 54.040 54.649 -0.609 19906 4864 1 13 . 1 1 25 25 ARG CB C 25 33.850 33.850 34.718 -0.868 19906 4865 1 13 . 1 1 25 25 ARG H H 25 8.570 8.570 7.888 0.682 19906 4866 1 13 . 1 1 26 26 TRP N N 26 122.480 122.480 124.015 -1.535 19906 4867 1 13 . 1 1 26 26 TRP HA H 26 4.840 4.840 5.003 -0.163 19906 4868 1 13 . 1 1 26 26 TRP CA C 26 56.790 56.790 56.240 0.550 19906 4869 1 13 . 1 1 26 26 TRP CB C 26 31.460 31.460 30.964 0.496 19906 4870 1 13 . 1 1 26 26 TRP H H 26 7.960 7.960 7.511 0.449 19906 4871 1 13 . 1 1 27 27 THR N N 27 119.820 119.820 116.946 2.874 19906 4872 1 13 . 1 1 27 27 THR HA H 27 4.750 4.750 4.683 0.067 19906 4873 1 13 . 1 1 27 27 THR CA C 27 60.690 60.690 59.879 0.811 19906 4874 1 13 . 1 1 27 27 THR CB C 27 68.460 68.460 68.978 -0.518 19906 4875 1 13 . 1 1 27 27 THR H H 27 9.780 9.780 8.268 1.512 19906 4876 1 13 . 1 1 28 28 PRO HA H 28 4.470 4.470 4.418 0.052 19906 4877 1 13 . 1 1 28 28 PRO CA C 28 63.260 63.260 63.269 -0.009 19906 4878 1 13 . 1 1 28 28 PRO CB C 28 31.980 31.980 32.229 -0.249 19906 4879 1 13 . 1 1 29 29 LEU N N 29 124.220 124.220 121.820 2.400 19906 4880 1 13 . 1 1 29 29 LEU HA H 29 4.490 4.490 4.420 0.070 19906 4881 1 13 . 1 1 29 29 LEU CA C 29 54.150 54.150 54.514 -0.363 19906 4882 1 13 . 1 1 29 29 LEU CB C 29 43.040 43.040 42.282 0.758 19906 4883 1 13 . 1 1 29 29 LEU H H 29 8.570 8.570 8.330 0.240 19906 4884 1 13 . 1 1 30 30 ASN N N 30 119.950 119.950 121.829 -1.879 19906 4885 1 13 . 1 1 30 30 ASN HA H 30 4.700 4.700 4.474 0.226 19906 4886 1 13 . 1 1 30 30 ASN CA C 30 53.570 53.570 55.383 -1.813 19906 4887 1 13 . 1 1 30 30 ASN CB C 30 38.340 38.340 38.759 -0.419 19906 4888 1 13 . 1 1 30 30 ASN H H 30 8.630 8.630 8.827 -0.197 19906 4889 1 13 . 1 1 31 31 SER N N 31 114.290 114.290 113.962 0.328 19906 4890 1 13 . 1 1 31 31 SER HA H 31 4.560 4.560 4.448 0.112 19906 4891 1 13 . 1 1 31 31 SER CA C 31 57.500 57.500 58.756 -1.256 19906 4892 1 13 . 1 1 31 31 SER CB C 31 63.480 63.480 63.597 -0.117 19906 4893 1 13 . 1 1 31 31 SER H H 31 8.090 8.090 8.043 0.047 19906 4894 1 13 . 1 1 32 32 SER HA H 32 4.560 4.560 4.435 0.125 19906 4895 1 13 . 1 1 32 32 SER CA C 32 58.140 58.140 59.239 -1.099 19906 4896 1 13 . 1 1 32 32 SER CB C 32 63.730 63.730 63.807 -0.077 19906 4897 1 13 . 1 1 33 33 THR N N 33 114.160 114.160 118.724 -4.564 19906 4898 1 13 . 1 1 33 33 THR HA H 33 4.300 4.300 4.244 0.056 19906 4899 1 13 . 1 1 33 33 THR CA C 33 63.620 63.620 62.842 0.778 19906 4900 1 13 . 1 1 33 33 THR CB C 33 69.530 69.530 69.481 0.049 19906 4901 1 13 . 1 1 33 33 THR H H 33 8.000 8.000 8.396 -0.396 19906 4902 1 13 . 1 1 34 34 ILE N N 34 121.090 121.090 124.389 -3.299 19906 4903 1 13 . 1 1 34 34 ILE HA H 34 4.300 4.300 4.237 0.063 19906 4904 1 13 . 1 1 34 34 ILE CA C 34 61.920 61.920 59.561 2.359 19906 4905 1 13 . 1 1 34 34 ILE CB C 34 38.080 38.080 35.985 2.095 19906 4906 1 13 . 1 1 34 34 ILE H H 34 7.980 7.980 8.409 -0.429 19906 4907 1 13 . 1 1 35 35 ILE N N 35 126.230 126.230 120.924 5.306 19906 4908 1 13 . 1 1 35 35 ILE HA H 35 4.220 4.220 4.334 -0.114 19906 4909 1 13 . 1 1 35 35 ILE CA C 35 61.720 61.720 59.207 2.513 19906 4910 1 13 . 1 1 35 35 ILE CB C 35 38.790 38.790 41.488 -2.698 19906 4911 1 13 . 1 1 35 35 ILE H H 35 8.810 8.810 7.362 1.448 19906 4912 1 13 . 1 1 36 36 GLY CA C 36 45.520 45.520 45.535 -0.015 19906 4913 1 13 . 1 1 37 37 TYR N N 37 120.400 120.400 123.548 -3.148 19906 4914 1 13 . 1 1 37 37 TYR HA H 37 5.070 5.070 4.618 0.452 19906 4915 1 13 . 1 1 37 37 TYR CA C 37 57.930 57.930 57.393 0.537 19906 4916 1 13 . 1 1 37 37 TYR CB C 37 38.950 38.950 40.822 -1.872 19906 4917 1 13 . 1 1 37 37 TYR H H 37 7.340 7.340 8.311 -0.971 19906 4918 1 13 . 1 1 38 38 ARG HA H 38 5.150 5.150 4.718 0.432 19906 4919 1 13 . 1 1 38 38 ARG CA C 38 54.450 54.450 54.503 -0.053 19906 4920 1 13 . 1 1 38 38 ARG CB C 38 31.530 31.530 31.638 -0.108 19906 4921 1 13 . 1 1 39 39 ILE N N 39 129.570 129.570 124.897 4.673 19906 4922 1 13 . 1 1 39 39 ILE HA H 39 5.060 5.060 4.421 0.639 19906 4923 1 13 . 1 1 39 39 ILE CA C 39 60.030 60.030 60.086 -0.056 19906 4924 1 13 . 1 1 39 39 ILE CB C 39 40.780 40.780 38.747 2.033 19906 4925 1 13 . 1 1 39 39 ILE H H 39 9.040 9.040 8.151 0.889 19906 4926 1 13 . 1 1 40 40 THR N N 40 120.430 120.430 122.558 -2.128 19906 4927 1 13 . 1 1 40 40 THR HA H 40 5.210 5.210 4.636 0.574 19906 4928 1 13 . 1 1 40 40 THR CA C 40 61.130 61.130 61.581 -0.452 19906 4929 1 13 . 1 1 40 40 THR CB C 40 71.090 71.090 70.515 0.575 19906 4930 1 13 . 1 1 40 40 THR H H 40 8.880 8.880 8.058 0.822 19906 4931 1 13 . 1 1 41 41 VAL HA H 41 5.030 5.030 4.484 0.546 19906 4932 1 13 . 1 1 41 41 VAL CA C 41 61.280 61.280 59.902 1.378 19906 4933 1 13 . 1 1 41 41 VAL CB C 41 33.800 33.800 34.848 -1.048 19906 4934 1 13 . 1 1 41 41 VAL H H 41 8.820 8.820 8.549 0.271 19906 4935 1 13 . 1 1 42 42 VAL N N 42 127.670 127.670 126.647 1.023 19906 4936 1 13 . 1 1 42 42 VAL HA H 42 4.650 4.650 4.361 0.289 19906 4937 1 13 . 1 1 42 42 VAL CA C 42 60.320 60.320 60.232 0.088 19906 4938 1 13 . 1 1 42 42 VAL CB C 42 35.800 35.800 36.223 -0.423 19906 4939 1 13 . 1 1 42 42 VAL H H 42 9.100 9.100 9.229 -0.129 19906 4940 1 13 . 1 1 43 43 ALA N N 43 131.340 131.340 128.218 3.122 19906 4941 1 13 . 1 1 43 43 ALA HA H 43 4.410 4.410 3.870 0.539 19906 4942 1 13 . 1 1 43 43 ALA CA C 43 52.420 52.420 50.771 1.649 19906 4943 1 13 . 1 1 43 43 ALA CB C 43 18.750 18.750 20.055 -1.305 19906 4944 1 13 . 1 1 43 43 ALA H H 43 9.420 9.420 8.464 0.956 19906 4945 1 13 . 1 1 44 44 ALA N N 44 126.040 126.040 125.379 0.661 19906 4946 1 13 . 1 1 44 44 ALA HA H 44 4.120 4.120 4.210 -0.090 19906 4947 1 13 . 1 1 44 44 ALA CA C 44 53.790 53.790 53.676 0.114 19906 4948 1 13 . 1 1 44 44 ALA CB C 44 18.680 18.680 19.736 -1.056 19906 4949 1 13 . 1 1 44 44 ALA H H 44 8.260 8.260 7.877 0.383 19906 4950 1 13 . 1 1 45 45 GLY CA C 45 45.620 45.620 45.585 0.035 19906 4951 1 13 . 1 1 45 45 GLY H H 45 8.700 8.700 7.956 0.744 19906 4952 1 13 . 1 1 46 46 GLU N N 46 119.650 119.650 119.644 0.006 19906 4953 1 13 . 1 1 46 46 GLU HA H 46 4.470 4.470 4.399 0.071 19906 4954 1 13 . 1 1 46 46 GLU CA C 46 55.870 55.870 55.529 0.341 19906 4955 1 13 . 1 1 46 46 GLU CB C 46 30.520 30.520 29.535 0.985 19906 4956 1 13 . 1 1 46 46 GLU H H 46 8.110 8.110 7.484 0.626 19906 4957 1 13 . 1 1 47 47 GLY N N 47 107.160 107.160 111.549 -4.389 19906 4958 1 13 . 1 1 47 47 GLY CA C 47 45.910 45.910 45.971 -0.061 19906 4959 1 13 . 1 1 47 47 GLY H H 47 8.400 8.400 8.619 -0.219 19906 4960 1 13 . 1 1 48 48 ILE N N 48 120.010 120.010 121.186 -1.176 19906 4961 1 13 . 1 1 48 48 ILE HA H 48 4.620 4.620 4.285 0.335 19906 4962 1 13 . 1 1 48 48 ILE CA C 48 58.500 58.500 58.225 0.275 19906 4963 1 13 . 1 1 48 48 ILE CB C 48 39.400 39.400 39.955 -0.555 19906 4964 1 13 . 1 1 48 48 ILE H H 48 7.440 7.440 7.292 0.148 19906 4965 1 13 . 1 1 49 49 PRO HA H 49 4.530 4.530 4.571 -0.041 19906 4966 1 13 . 1 1 49 49 PRO CA C 49 63.590 63.590 62.015 1.575 19906 4967 1 13 . 1 1 49 49 PRO CB C 49 31.880 31.880 32.294 -0.414 19906 4968 1 13 . 1 1 50 50 ILE N N 50 122.120 122.120 119.627 2.493 19906 4969 1 13 . 1 1 50 50 ILE HA H 50 4.150 4.150 3.973 0.177 19906 4970 1 13 . 1 1 50 50 ILE CA C 50 63.310 63.310 61.057 2.253 19906 4971 1 13 . 1 1 50 50 ILE CB C 50 38.020 38.020 39.089 -1.069 19906 4972 1 13 . 1 1 50 50 ILE H H 50 8.720 8.720 7.940 0.780 19906 4973 1 13 . 1 1 51 51 PHE HA H 51 4.770 4.770 4.436 0.334 19906 4974 1 13 . 1 1 51 51 PHE CA C 51 57.900 57.900 58.220 -0.320 19906 4975 1 13 . 1 1 51 51 PHE CB C 51 41.870 41.870 39.462 2.408 19906 4976 1 13 . 1 1 52 52 GLU HA H 52 5.350 5.350 4.316 1.034 19906 4977 1 13 . 1 1 52 52 GLU CA C 52 55.140 55.140 56.083 -0.943 19906 4978 1 13 . 1 1 52 52 GLU CB C 52 32.030 32.030 30.777 1.253 19906 4979 1 13 . 1 1 53 53 ASP N N 53 122.750 122.750 119.255 3.495 19906 4980 1 13 . 1 1 53 53 ASP HA H 53 5.000 5.000 4.845 0.155 19906 4981 1 13 . 1 1 53 53 ASP CA C 53 52.950 52.950 53.503 -0.553 19906 4982 1 13 . 1 1 53 53 ASP CB C 53 44.770 44.770 44.769 0.001 19906 4983 1 13 . 1 1 53 53 ASP H H 53 8.850 8.850 7.824 1.026 19906 4984 1 13 . 1 1 54 54 PHE N N 54 121.100 121.100 121.085 0.015 19906 4985 1 13 . 1 1 54 54 PHE HA H 54 5.380 5.380 4.816 0.564 19906 4986 1 13 . 1 1 54 54 PHE CA C 54 56.180 56.180 57.155 -0.975 19906 4987 1 13 . 1 1 54 54 PHE CB C 54 42.110 42.110 40.177 1.933 19906 4988 1 13 . 1 1 54 54 PHE H H 54 8.770 8.770 8.698 0.072 19906 4989 1 13 . 1 1 55 55 VAL N N 55 125.760 125.760 125.325 0.435 19906 4990 1 13 . 1 1 55 55 VAL HA H 55 4.320 4.320 4.495 -0.175 19906 4991 1 13 . 1 1 55 55 VAL CA C 55 59.140 59.140 59.782 -0.643 19906 4992 1 13 . 1 1 55 55 VAL CB C 55 34.940 34.940 35.600 -0.660 19906 4993 1 13 . 1 1 55 55 VAL H H 55 8.290 8.290 8.235 0.055 19906 4994 1 13 . 1 1 56 56 ASP N N 56 127.100 127.100 128.032 -0.932 19906 4995 1 13 . 1 1 56 56 ASP HA H 56 4.560 4.560 4.579 -0.019 19906 4996 1 13 . 1 1 56 56 ASP CA C 56 54.980 54.980 55.208 -0.228 19906 4997 1 13 . 1 1 56 56 ASP CB C 56 42.730 42.730 41.792 0.938 19906 4998 1 13 . 1 1 56 56 ASP H H 56 8.460 8.460 8.810 -0.350 19906 4999 1 13 . 1 1 57 57 SER N N 57 119.630 119.630 118.301 1.329 19906 5000 1 13 . 1 1 57 57 SER HA H 57 4.330 4.330 4.604 -0.274 19906 5001 1 13 . 1 1 57 57 SER CA C 57 60.630 60.630 61.043 -0.413 19906 5002 1 13 . 1 1 57 57 SER CB C 57 62.680 62.680 63.509 -0.829 19906 5003 1 13 . 1 1 57 57 SER H H 57 8.260 8.260 8.706 -0.446 19906 5004 1 13 . 1 1 58 58 SER N N 58 117.030 117.030 115.946 1.084 19906 5005 1 13 . 1 1 58 58 SER HA H 58 4.400 4.400 4.284 0.116 19906 5006 1 13 . 1 1 58 58 SER CA C 58 60.430 60.430 60.586 -0.156 19906 5007 1 13 . 1 1 58 58 SER CB C 58 63.700 63.700 63.024 0.676 19906 5008 1 13 . 1 1 58 58 SER H H 58 9.080 9.080 8.416 0.664 19906 5009 1 13 . 1 1 59 59 VAL N N 59 119.350 119.350 119.924 -0.574 19906 5010 1 13 . 1 1 59 59 VAL HA H 59 3.790 3.790 3.862 -0.072 19906 5011 1 13 . 1 1 59 59 VAL CA C 59 65.670 65.670 64.283 1.387 19906 5012 1 13 . 1 1 59 59 VAL CB C 59 32.400 32.400 32.156 0.244 19906 5013 1 13 . 1 1 59 59 VAL H H 59 7.570 7.570 7.463 0.107 19906 5014 1 13 . 1 1 60 60 GLY N N 60 104.070 104.070 107.182 -3.112 19906 5015 1 13 . 1 1 60 60 GLY CA C 60 44.430 44.430 45.193 -0.763 19906 5016 1 13 . 1 1 60 60 GLY H H 60 6.120 6.120 7.736 -1.616 19906 5017 1 13 . 1 1 61 61 TYR N N 61 117.690 117.690 117.346 0.344 19906 5018 1 13 . 1 1 61 61 TYR HA H 61 5.030 5.030 4.740 0.290 19906 5019 1 13 . 1 1 61 61 TYR CA C 61 56.320 56.320 56.414 -0.094 19906 5020 1 13 . 1 1 61 61 TYR CB C 61 41.700 41.700 41.194 0.506 19906 5021 1 13 . 1 1 61 61 TYR H H 61 6.080 6.080 7.225 -1.145 19906 5022 1 13 . 1 1 62 62 TYR N N 62 126.650 126.650 124.809 1.841 19906 5023 1 13 . 1 1 62 62 TYR HA H 62 4.440 4.440 4.498 -0.058 19906 5024 1 13 . 1 1 62 62 TYR CA C 62 58.560 58.560 57.529 1.031 19906 5025 1 13 . 1 1 62 62 TYR CB C 62 43.550 43.550 43.190 0.360 19906 5026 1 13 . 1 1 62 62 TYR H H 62 8.440 8.440 7.781 0.659 19906 5027 1 13 . 1 1 63 63 THR N N 63 122.160 122.160 118.046 4.114 19906 5028 1 13 . 1 1 63 63 THR HA H 63 4.780 4.780 4.772 0.008 19906 5029 1 13 . 1 1 63 63 THR CA C 63 61.610 61.610 60.291 1.319 19906 5030 1 13 . 1 1 63 63 THR CB C 63 69.810 69.810 70.523 -0.713 19906 5031 1 13 . 1 1 63 63 THR H H 63 7.380 7.380 6.957 0.423 19906 5032 1 13 . 1 1 64 64 VAL N N 64 127.940 127.940 123.770 4.170 19906 5033 1 13 . 1 1 64 64 VAL HA H 64 3.660 3.660 4.619 -0.959 19906 5034 1 13 . 1 1 64 64 VAL CA C 64 61.840 61.840 60.282 1.558 19906 5035 1 13 . 1 1 64 64 VAL CB C 64 31.840 31.840 32.216 -0.376 19906 5036 1 13 . 1 1 64 64 VAL H H 64 8.860 8.860 8.172 0.688 19906 5037 1 13 . 1 1 65 65 THR N N 65 116.150 116.150 116.871 -0.721 19906 5038 1 13 . 1 1 65 65 THR HA H 65 4.640 4.640 5.166 -0.526 19906 5039 1 13 . 1 1 65 65 THR CA C 65 59.470 59.470 59.630 -0.161 19906 5040 1 13 . 1 1 65 65 THR CB C 65 71.160 71.160 70.983 0.177 19906 5041 1 13 . 1 1 65 65 THR H H 65 7.290 7.290 8.242 -0.952 19906 5042 1 13 . 1 1 66 66 GLY N N 66 105.560 105.560 110.396 -4.836 19906 5043 1 13 . 1 1 66 66 GLY CA C 66 45.860 45.860 44.883 0.978 19906 5044 1 13 . 1 1 66 66 GLY H H 66 8.450 8.450 8.505 -0.055 19906 5045 1 13 . 1 1 67 67 LEU N N 67 119.080 119.080 120.398 -1.318 19906 5046 1 13 . 1 1 67 67 LEU HA H 67 4.180 4.180 3.982 0.198 19906 5047 1 13 . 1 1 67 67 LEU CA C 67 53.380 53.380 52.979 0.401 19906 5048 1 13 . 1 1 67 67 LEU CB C 67 41.630 41.630 41.714 -0.084 19906 5049 1 13 . 1 1 67 67 LEU H H 67 7.850 7.850 7.472 0.378 19906 5050 1 13 . 1 1 68 68 GLU N N 68 120.030 120.030 123.347 -3.317 19906 5051 1 13 . 1 1 68 68 GLU HA H 68 4.920 4.920 4.323 0.597 19906 5052 1 13 . 1 1 68 68 GLU CA C 68 52.510 52.510 54.973 -2.463 19906 5053 1 13 . 1 1 68 68 GLU CB C 68 31.040 31.040 29.253 1.787 19906 5054 1 13 . 1 1 68 68 GLU H H 68 8.500 8.500 8.005 0.495 19906 5055 1 13 . 1 1 69 69 PRO HA H 69 4.470 4.470 4.453 0.017 19906 5056 1 13 . 1 1 69 69 PRO CA C 69 62.740 62.740 63.087 -0.347 19906 5057 1 13 . 1 1 69 69 PRO CB C 69 31.410 31.410 32.113 -0.703 19906 5058 1 13 . 1 1 70 70 GLY N N 70 106.940 106.940 109.465 -2.525 19906 5059 1 13 . 1 1 70 70 GLY CA C 70 45.830 45.830 45.541 0.289 19906 5060 1 13 . 1 1 70 70 GLY H H 70 8.500 8.500 8.802 -0.302 19906 5061 1 13 . 1 1 71 71 ILE N N 71 120.080 120.080 120.465 -0.385 19906 5062 1 13 . 1 1 71 71 ILE HA H 71 4.080 4.080 4.247 -0.167 19906 5063 1 13 . 1 1 71 71 ILE CA C 71 58.710 58.710 59.986 -1.276 19906 5064 1 13 . 1 1 71 71 ILE CB C 71 40.410 40.410 40.520 -0.110 19906 5065 1 13 . 1 1 71 71 ILE H H 71 7.510 7.510 7.540 -0.030 19906 5066 1 13 . 1 1 72 72 ASP N N 72 124.920 124.920 126.817 -1.897 19906 5067 1 13 . 1 1 72 72 ASP HA H 72 4.930 4.930 4.650 0.280 19906 5068 1 13 . 1 1 72 72 ASP CA C 72 54.260 54.260 53.580 0.680 19906 5069 1 13 . 1 1 72 72 ASP CB C 72 41.120 41.120 41.279 -0.159 19906 5070 1 13 . 1 1 72 72 ASP H H 72 8.190 8.190 8.512 -0.322 19906 5071 1 13 . 1 1 73 73 TYR N N 73 122.440 122.440 125.182 -2.742 19906 5072 1 13 . 1 1 73 73 TYR HA H 73 5.070 5.070 4.734 0.336 19906 5073 1 13 . 1 1 73 73 TYR CA C 73 57.390 57.390 57.803 -0.413 19906 5074 1 13 . 1 1 73 73 TYR CB C 73 40.550 40.550 40.433 0.117 19906 5075 1 13 . 1 1 73 73 TYR H H 73 9.310 9.310 8.380 0.930 19906 5076 1 13 . 1 1 74 74 ASP N N 74 122.980 122.980 124.955 -1.975 19906 5077 1 13 . 1 1 74 74 ASP HA H 74 5.220 5.220 4.885 0.335 19906 5078 1 13 . 1 1 74 74 ASP CA C 74 53.900 53.900 54.075 -0.174 19906 5079 1 13 . 1 1 74 74 ASP CB C 74 42.120 42.120 41.407 0.713 19906 5080 1 13 . 1 1 74 74 ASP H H 74 9.290 9.290 8.836 0.454 19906 5081 1 13 . 1 1 75 75 ILE N N 75 124.270 124.270 120.037 4.233 19906 5082 1 13 . 1 1 75 75 ILE HA H 75 5.470 5.470 4.759 0.711 19906 5083 1 13 . 1 1 75 75 ILE CA C 75 58.400 58.400 58.443 -0.043 19906 5084 1 13 . 1 1 75 75 ILE CB C 75 40.900 40.900 40.705 0.195 19906 5085 1 13 . 1 1 75 75 ILE H H 75 8.810 8.810 8.281 0.529 19906 5086 1 13 . 1 1 76 76 SER N N 76 121.300 121.300 116.869 4.431 19906 5087 1 13 . 1 1 76 76 SER HA H 76 5.800 5.800 4.687 1.113 19906 5088 1 13 . 1 1 76 76 SER CA C 76 56.340 56.340 58.150 -1.810 19906 5089 1 13 . 1 1 76 76 SER CB C 76 66.180 66.180 65.336 0.844 19906 5090 1 13 . 1 1 76 76 SER H H 76 8.760 8.760 8.629 0.131 19906 5091 1 13 . 1 1 77 77 VAL N N 77 124.740 124.740 125.404 -0.664 19906 5092 1 13 . 1 1 77 77 VAL HA H 77 4.760 4.760 4.184 0.576 19906 5093 1 13 . 1 1 77 77 VAL CA C 77 61.190 61.190 61.493 -0.303 19906 5094 1 13 . 1 1 77 77 VAL CB C 77 33.270 33.270 31.070 2.200 19906 5095 1 13 . 1 1 77 77 VAL H H 77 9.420 9.420 8.522 0.898 19906 5096 1 13 . 1 1 78 78 ILE N N 78 126.300 126.300 129.250 -2.950 19906 5097 1 13 . 1 1 78 78 ILE HA H 78 4.710 4.710 4.149 0.561 19906 5098 1 13 . 1 1 78 78 ILE CA C 78 61.160 61.160 60.978 0.182 19906 5099 1 13 . 1 1 78 78 ILE CB C 78 41.050 41.050 38.711 2.339 19906 5100 1 13 . 1 1 78 78 ILE H H 78 9.370 9.370 8.156 1.214 19906 5101 1 13 . 1 1 79 79 THR N N 79 122.350 122.350 123.296 -0.946 19906 5102 1 13 . 1 1 79 79 THR HA H 79 4.280 4.280 4.574 -0.294 19906 5103 1 13 . 1 1 79 79 THR CA C 79 64.260 64.260 61.637 2.623 19906 5104 1 13 . 1 1 79 79 THR CB C 79 69.130 69.130 69.527 -0.397 19906 5105 1 13 . 1 1 79 79 THR H H 79 8.550 8.550 8.459 0.091 19906 5106 1 13 . 1 1 80 80 LEU N N 80 128.900 128.900 130.194 -1.294 19906 5107 1 13 . 1 1 80 80 LEU HA H 80 4.730 4.730 4.772 -0.042 19906 5108 1 13 . 1 1 80 80 LEU CA C 80 54.060 54.060 54.427 -0.367 19906 5109 1 13 . 1 1 80 80 LEU CB C 80 41.470 41.470 44.959 -3.489 19906 5110 1 13 . 1 1 80 80 LEU H H 80 8.660 8.660 8.759 -0.099 19906 5111 1 13 . 1 1 81 81 ILE N N 81 121.640 121.640 121.193 0.447 19906 5112 1 13 . 1 1 81 81 ILE HA H 81 4.870 4.870 4.549 0.321 19906 5113 1 13 . 1 1 81 81 ILE CA C 81 59.300 59.300 59.858 -0.558 19906 5114 1 13 . 1 1 81 81 ILE CB C 81 40.510 40.510 41.636 -1.126 19906 5115 1 13 . 1 1 81 81 ILE H H 81 8.350 8.350 7.934 0.416 19906 5116 1 13 . 1 1 82 82 ASN N N 82 123.240 123.240 121.708 1.532 19906 5117 1 13 . 1 1 82 82 ASN HA H 82 4.640 4.640 4.621 0.019 19906 5118 1 13 . 1 1 82 82 ASN CA C 82 53.450 53.450 53.864 -0.414 19906 5119 1 13 . 1 1 82 82 ASN CB C 82 38.940 38.940 39.224 -0.284 19906 5120 1 13 . 1 1 82 82 ASN H H 82 8.820 8.820 8.666 0.154 19906 5121 1 13 . 1 1 83 83 GLY N N 83 112.680 112.680 106.562 6.118 19906 5122 1 13 . 1 1 83 83 GLY CA C 83 45.420 45.420 44.347 1.073 19906 5123 1 13 . 1 1 83 83 GLY H H 83 8.630 8.630 8.594 0.036 19906 5124 1 13 . 1 1 84 84 GLY N N 84 108.560 108.560 108.359 0.201 19906 5125 1 13 . 1 1 84 84 GLY CA C 84 45.190 45.190 45.052 0.138 19906 5126 1 13 . 1 1 84 84 GLY H H 84 8.280 8.280 8.339 -0.059 19906 5127 1 13 . 1 1 85 85 GLU N N 85 120.690 120.690 123.453 -2.763 19906 5128 1 13 . 1 1 85 85 GLU HA H 85 4.320 4.320 4.455 -0.135 19906 5129 1 13 . 1 1 85 85 GLU CA C 85 56.480 56.480 55.681 0.798 19906 5130 1 13 . 1 1 85 85 GLU CB C 85 30.480 30.480 30.692 -0.212 19906 5131 1 13 . 1 1 85 85 GLU H H 85 8.460 8.460 8.424 0.036 19906 5132 1 13 . 1 1 86 86 SER N N 86 116.860 116.860 117.974 -1.114 19906 5133 1 13 . 1 1 86 86 SER HA H 86 4.430 4.430 4.468 -0.038 19906 5134 1 13 . 1 1 86 86 SER CA C 86 57.920 57.920 58.195 -0.275 19906 5135 1 13 . 1 1 86 86 SER CB C 86 63.720 63.720 63.748 -0.028 19906 5136 1 13 . 1 1 86 86 SER H H 86 8.350 8.350 8.494 -0.144 19906 5137 1 13 . 1 1 87 87 ALA N N 87 126.890 126.890 131.598 -4.708 19906 5138 1 13 . 1 1 87 87 ALA HA H 87 4.580 4.580 4.361 0.219 19906 5139 1 13 . 1 1 87 87 ALA CA C 87 50.450 50.450 52.680 -2.230 19906 5140 1 13 . 1 1 87 87 ALA CB C 87 18.110 18.110 17.295 0.815 19906 5141 1 13 . 1 1 87 87 ALA H H 87 8.240 8.240 8.733 -0.493 19906 5142 1 13 . 1 1 88 88 PRO HA H 88 4.470 4.470 4.499 -0.029 19906 5143 1 13 . 1 1 88 88 PRO CA C 88 62.960 62.960 63.126 -0.166 19906 5144 1 13 . 1 1 88 88 PRO CB C 88 31.460 31.460 32.171 -0.711 19906 5145 1 13 . 1 1 89 89 THR N N 89 114.280 114.280 115.755 -1.475 19906 5146 1 13 . 1 1 89 89 THR HA H 89 4.340 4.340 4.569 -0.229 19906 5147 1 13 . 1 1 89 89 THR CA C 89 62.320 62.320 61.541 0.779 19906 5148 1 13 . 1 1 89 89 THR CB C 89 69.530 69.530 70.197 -0.667 19906 5149 1 13 . 1 1 89 89 THR H H 89 8.270 8.270 8.200 0.070 19906 5150 1 13 . 1 1 90 90 THR N N 90 116.290 116.290 123.087 -6.797 19906 5151 1 13 . 1 1 90 90 THR HA H 90 4.330 4.330 4.625 -0.295 19906 5152 1 13 . 1 1 90 90 THR CA C 90 61.890 61.890 61.919 -0.029 19906 5153 1 13 . 1 1 90 90 THR CB C 90 69.500 69.500 70.749 -1.249 19906 5154 1 13 . 1 1 90 90 THR H H 90 8.090 8.090 8.299 -0.209 19906 5155 1 13 . 1 1 91 91 LEU N N 91 124.660 124.660 123.284 1.376 19906 5156 1 13 . 1 1 91 91 LEU HA H 91 4.410 4.410 4.750 -0.340 19906 5157 1 13 . 1 1 91 91 LEU CA C 91 55.590 55.590 53.717 1.873 19906 5158 1 13 . 1 1 91 91 LEU CB C 91 41.600 41.600 42.400 -0.800 19906 5159 1 13 . 1 1 91 91 LEU H H 91 8.290 8.290 8.138 0.152 19906 5160 1 13 . 1 1 92 92 THR N N 92 115.030 115.030 112.402 2.628 19906 5161 1 13 . 1 1 92 92 THR HA H 92 4.300 4.300 4.296 0.004 19906 5162 1 13 . 1 1 92 92 THR CA C 92 61.890 61.890 61.894 -0.004 19906 5163 1 13 . 1 1 92 92 THR CB C 92 69.500 69.500 69.463 0.037 19906 5164 1 13 . 1 1 92 92 THR H H 92 8.100 8.100 8.192 -0.092 19906 5165 1 13 . 1 1 93 93 GLN N N 93 123.200 123.200 124.093 -0.893 19906 5166 1 13 . 1 1 93 93 GLN HA H 93 4.350 4.350 4.475 -0.125 19906 5167 1 13 . 1 1 93 93 GLN CA C 93 55.720 55.720 55.374 0.346 19906 5168 1 13 . 1 1 93 93 GLN CB C 93 29.050 29.050 28.733 0.317 19906 5169 1 13 . 1 1 93 93 GLN H H 93 8.380 8.380 8.534 -0.154 19906 5170 1 13 . 1 1 94 94 GLN N N 94 122.720 122.720 122.963 -0.243 19906 5171 1 13 . 1 1 94 94 GLN HA H 94 4.400 4.400 4.228 0.172 19906 5172 1 13 . 1 1 94 94 GLN CA C 94 55.780 55.780 57.529 -1.749 19906 5173 1 13 . 1 1 94 94 GLN CB C 94 29.100 29.100 29.311 -0.211 19906 5174 1 13 . 1 1 94 94 GLN H H 94 8.480 8.480 8.890 -0.410 19906 5175 1 14 . 1 1 4 4 SER HA H 4 4.400 4.400 4.591 -0.191 19906 5176 1 14 . 1 1 4 4 SER CA C 4 58.290 58.290 58.366 -0.076 19906 5177 1 14 . 1 1 4 4 SER CB C 4 63.790 63.790 64.065 -0.275 19906 5178 1 14 . 1 1 5 5 GLU N N 5 121.960 121.960 122.174 -0.214 19906 5179 1 14 . 1 1 5 5 GLU HA H 5 4.410 4.410 4.321 0.089 19906 5180 1 14 . 1 1 5 5 GLU CA C 5 55.610 55.610 56.182 -0.572 19906 5181 1 14 . 1 1 5 5 GLU CB C 5 31.950 31.950 30.222 1.728 19906 5182 1 14 . 1 1 5 5 GLU H H 5 8.450 8.450 8.396 0.054 19906 5183 1 14 . 1 1 6 6 VAL N N 6 122.170 122.170 124.941 -2.771 19906 5184 1 14 . 1 1 6 6 VAL HA H 6 4.070 4.070 4.233 -0.163 19906 5185 1 14 . 1 1 6 6 VAL CA C 6 56.380 56.380 60.058 -3.678 19906 5186 1 14 . 1 1 6 6 VAL CB C 6 29.500 29.500 32.692 -3.192 19906 5187 1 14 . 1 1 6 6 VAL H H 6 8.260 8.260 8.295 -0.035 19906 5188 1 14 . 1 1 9 9 LEU N N 9 123.830 123.830 121.763 2.067 19906 5189 1 14 . 1 1 9 9 LEU HA H 9 4.490 4.490 4.356 0.134 19906 5190 1 14 . 1 1 9 9 LEU CA C 9 54.820 54.820 54.944 -0.124 19906 5191 1 14 . 1 1 9 9 LEU CB C 9 41.930 41.930 41.796 0.134 19906 5192 1 14 . 1 1 9 9 LEU H H 9 7.770 7.770 8.357 -0.587 19906 5193 1 14 . 1 1 11 11 ASP HA H 11 4.730 4.730 4.643 0.087 19906 5194 1 14 . 1 1 11 11 ASP CA C 11 53.060 53.060 53.260 -0.199 19906 5195 1 14 . 1 1 11 11 ASP CB C 11 38.110 38.110 41.220 -3.110 19906 5196 1 14 . 1 1 12 12 LEU N N 12 122.730 122.730 120.432 2.298 19906 5197 1 14 . 1 1 12 12 LEU HA H 12 4.660 4.660 4.262 0.398 19906 5198 1 14 . 1 1 12 12 LEU CA C 12 55.130 55.130 55.618 -0.488 19906 5199 1 14 . 1 1 12 12 LEU CB C 12 43.390 43.390 42.609 0.781 19906 5200 1 14 . 1 1 12 12 LEU H H 12 7.420 7.420 8.370 -0.950 19906 5201 1 14 . 1 1 13 13 SER N N 13 120.760 120.760 117.042 3.718 19906 5202 1 14 . 1 1 13 13 SER HA H 13 4.270 4.270 4.786 -0.516 19906 5203 1 14 . 1 1 13 13 SER CA C 13 56.880 56.880 57.598 -0.718 19906 5204 1 14 . 1 1 13 13 SER CB C 13 65.890 65.890 65.976 -0.086 19906 5205 1 14 . 1 1 13 13 SER H H 13 9.020 9.020 8.047 0.973 19906 5206 1 14 . 1 1 14 14 PHE N N 14 119.920 119.920 120.895 -0.975 19906 5207 1 14 . 1 1 14 14 PHE HA H 14 5.510 5.510 5.042 0.468 19906 5208 1 14 . 1 1 14 14 PHE CA C 14 56.760 56.760 56.517 0.243 19906 5209 1 14 . 1 1 14 14 PHE CB C 14 39.930 39.930 41.679 -1.749 19906 5210 1 14 . 1 1 14 14 PHE H H 14 8.370 8.370 8.716 -0.346 19906 5211 1 14 . 1 1 15 15 VAL N N 15 117.820 117.820 117.366 0.454 19906 5212 1 14 . 1 1 15 15 VAL HA H 15 4.680 4.680 4.508 0.172 19906 5213 1 14 . 1 1 15 15 VAL CA C 15 58.880 58.880 60.409 -1.529 19906 5214 1 14 . 1 1 15 15 VAL CB C 15 36.900 36.900 35.622 1.278 19906 5215 1 14 . 1 1 15 15 VAL H H 15 9.100 9.100 8.476 0.624 19906 5216 1 14 . 1 1 16 16 ASP N N 16 116.850 116.850 120.043 -3.193 19906 5217 1 14 . 1 1 16 16 ASP HA H 16 4.190 4.190 4.263 -0.073 19906 5218 1 14 . 1 1 16 16 ASP CA C 16 54.550 54.550 55.357 -0.807 19906 5219 1 14 . 1 1 16 16 ASP CB C 16 38.920 38.920 40.364 -1.444 19906 5220 1 14 . 1 1 16 16 ASP H H 16 8.520 8.520 8.752 -0.232 19906 5221 1 14 . 1 1 17 17 ILE N N 17 118.600 118.600 119.574 -0.974 19906 5222 1 14 . 1 1 17 17 ILE HA H 17 4.150 4.150 3.970 0.180 19906 5223 1 14 . 1 1 17 17 ILE CA C 17 63.190 63.190 62.761 0.429 19906 5224 1 14 . 1 1 17 17 ILE CB C 17 37.770 37.770 38.455 -0.685 19906 5225 1 14 . 1 1 17 17 ILE H H 17 8.150 8.150 7.974 0.176 19906 5226 1 14 . 1 1 18 18 THR N N 18 122.160 122.160 122.425 -0.265 19906 5227 1 14 . 1 1 18 18 THR HA H 18 4.910 4.910 4.603 0.307 19906 5228 1 14 . 1 1 18 18 THR CA C 18 60.570 60.570 61.443 -0.873 19906 5229 1 14 . 1 1 18 18 THR CB C 18 70.600 70.600 70.160 0.440 19906 5230 1 14 . 1 1 18 18 THR H H 18 8.740 8.740 7.982 0.758 19906 5231 1 14 . 1 1 19 19 ASP N N 19 115.600 115.600 120.775 -5.175 19906 5232 1 14 . 1 1 19 19 ASP HA H 19 4.480 4.480 4.548 -0.068 19906 5233 1 14 . 1 1 19 19 ASP CA C 19 54.880 54.880 56.033 -1.153 19906 5234 1 14 . 1 1 19 19 ASP CB C 19 40.430 40.430 40.697 -0.267 19906 5235 1 14 . 1 1 19 19 ASP H H 19 8.450 8.450 8.412 0.038 19906 5236 1 14 . 1 1 20 20 SER N N 20 108.500 108.500 113.411 -4.911 19906 5237 1 14 . 1 1 20 20 SER HA H 20 4.620 4.620 4.566 0.054 19906 5238 1 14 . 1 1 20 20 SER CA C 20 57.660 57.660 57.441 0.219 19906 5239 1 14 . 1 1 20 20 SER CB C 20 66.090 66.090 63.851 2.239 19906 5240 1 14 . 1 1 20 20 SER H H 20 8.120 8.120 7.892 0.228 19906 5241 1 14 . 1 1 21 21 SER N N 21 116.590 116.590 116.257 0.333 19906 5242 1 14 . 1 1 21 21 SER HA H 21 5.230 5.230 5.185 0.045 19906 5243 1 14 . 1 1 21 21 SER CA C 21 56.730 56.730 57.663 -0.933 19906 5244 1 14 . 1 1 21 21 SER CB C 21 66.730 66.730 66.417 0.313 19906 5245 1 14 . 1 1 21 21 SER H H 21 7.530 7.530 7.678 -0.148 19906 5246 1 14 . 1 1 22 22 ILE N N 22 113.850 113.850 118.305 -4.455 19906 5247 1 14 . 1 1 22 22 ILE HA H 22 4.490 4.490 4.701 -0.211 19906 5248 1 14 . 1 1 22 22 ILE CA C 22 60.320 60.320 58.759 1.561 19906 5249 1 14 . 1 1 22 22 ILE CB C 22 42.650 42.650 41.658 0.992 19906 5250 1 14 . 1 1 22 22 ILE H H 22 8.210 8.210 7.929 0.281 19906 5251 1 14 . 1 1 23 23 GLY N N 23 112.950 112.950 112.620 0.330 19906 5252 1 14 . 1 1 23 23 GLY CA C 23 44.110 44.110 44.021 0.089 19906 5253 1 14 . 1 1 23 23 GLY H H 23 8.300 8.300 8.331 -0.031 19906 5254 1 14 . 1 1 24 24 LEU N N 24 123.740 123.740 125.966 -2.226 19906 5255 1 14 . 1 1 24 24 LEU HA H 24 4.820 4.820 4.215 0.605 19906 5256 1 14 . 1 1 24 24 LEU CA C 24 53.930 53.930 55.700 -1.770 19906 5257 1 14 . 1 1 24 24 LEU CB C 24 42.470 42.470 42.189 0.281 19906 5258 1 14 . 1 1 24 24 LEU H H 24 8.820 8.820 7.834 0.986 19906 5259 1 14 . 1 1 25 25 ARG N N 25 119.980 119.980 124.958 -4.978 19906 5260 1 14 . 1 1 25 25 ARG HA H 25 4.890 4.890 4.827 0.063 19906 5261 1 14 . 1 1 25 25 ARG CA C 25 54.040 54.040 54.956 -0.916 19906 5262 1 14 . 1 1 25 25 ARG CB C 25 33.850 33.850 34.051 -0.201 19906 5263 1 14 . 1 1 25 25 ARG H H 25 8.570 8.570 7.985 0.585 19906 5264 1 14 . 1 1 26 26 TRP N N 26 122.480 122.480 126.029 -3.549 19906 5265 1 14 . 1 1 26 26 TRP HA H 26 4.840 4.840 5.066 -0.226 19906 5266 1 14 . 1 1 26 26 TRP CA C 26 56.790 56.790 55.667 1.123 19906 5267 1 14 . 1 1 26 26 TRP CB C 26 31.460 31.460 30.927 0.532 19906 5268 1 14 . 1 1 26 26 TRP H H 26 7.960 7.960 7.740 0.220 19906 5269 1 14 . 1 1 27 27 THR N N 27 119.820 119.820 122.403 -2.583 19906 5270 1 14 . 1 1 27 27 THR HA H 27 4.750 4.750 4.177 0.573 19906 5271 1 14 . 1 1 27 27 THR CA C 27 60.690 60.690 62.257 -1.567 19906 5272 1 14 . 1 1 27 27 THR CB C 27 68.460 68.460 68.264 0.196 19906 5273 1 14 . 1 1 27 27 THR H H 27 9.780 9.780 8.511 1.269 19906 5274 1 14 . 1 1 28 28 PRO HA H 28 4.470 4.470 4.536 -0.066 19906 5275 1 14 . 1 1 28 28 PRO CA C 28 63.260 63.260 62.983 0.277 19906 5276 1 14 . 1 1 28 28 PRO CB C 28 31.980 31.980 32.283 -0.303 19906 5277 1 14 . 1 1 29 29 LEU N N 29 124.220 124.220 121.724 2.496 19906 5278 1 14 . 1 1 29 29 LEU HA H 29 4.490 4.490 4.569 -0.079 19906 5279 1 14 . 1 1 29 29 LEU CA C 29 54.150 54.150 54.069 0.081 19906 5280 1 14 . 1 1 29 29 LEU CB C 29 43.040 43.040 42.711 0.329 19906 5281 1 14 . 1 1 29 29 LEU H H 29 8.570 8.570 8.276 0.294 19906 5282 1 14 . 1 1 30 30 ASN N N 30 119.950 119.950 122.280 -2.330 19906 5283 1 14 . 1 1 30 30 ASN HA H 30 4.700 4.700 4.402 0.298 19906 5284 1 14 . 1 1 30 30 ASN CA C 30 53.570 53.570 55.665 -2.095 19906 5285 1 14 . 1 1 30 30 ASN CB C 30 38.340 38.340 38.734 -0.394 19906 5286 1 14 . 1 1 30 30 ASN H H 30 8.630 8.630 8.891 -0.261 19906 5287 1 14 . 1 1 31 31 SER N N 31 114.290 114.290 114.038 0.252 19906 5288 1 14 . 1 1 31 31 SER HA H 31 4.560 4.560 4.477 0.083 19906 5289 1 14 . 1 1 31 31 SER CA C 31 57.500 57.500 59.123 -1.623 19906 5290 1 14 . 1 1 31 31 SER CB C 31 63.480 63.480 63.978 -0.498 19906 5291 1 14 . 1 1 31 31 SER H H 31 8.090 8.090 7.905 0.185 19906 5292 1 14 . 1 1 32 32 SER HA H 32 4.560 4.560 4.308 0.252 19906 5293 1 14 . 1 1 32 32 SER CA C 32 58.140 58.140 58.952 -0.812 19906 5294 1 14 . 1 1 32 32 SER CB C 32 63.730 63.730 63.654 0.076 19906 5295 1 14 . 1 1 33 33 THR N N 33 114.160 114.160 119.263 -5.103 19906 5296 1 14 . 1 1 33 33 THR HA H 33 4.300 4.300 4.156 0.144 19906 5297 1 14 . 1 1 33 33 THR CA C 33 63.620 63.620 63.182 0.438 19906 5298 1 14 . 1 1 33 33 THR CB C 33 69.530 69.530 69.445 0.085 19906 5299 1 14 . 1 1 33 33 THR H H 33 8.000 8.000 8.123 -0.123 19906 5300 1 14 . 1 1 34 34 ILE N N 34 121.090 121.090 124.604 -3.514 19906 5301 1 14 . 1 1 34 34 ILE HA H 34 4.300 4.300 4.216 0.084 19906 5302 1 14 . 1 1 34 34 ILE CA C 34 61.920 61.920 60.123 1.796 19906 5303 1 14 . 1 1 34 34 ILE CB C 34 38.080 38.080 35.790 2.290 19906 5304 1 14 . 1 1 34 34 ILE H H 34 7.980 7.980 8.393 -0.413 19906 5305 1 14 . 1 1 35 35 ILE N N 35 126.230 126.230 120.806 5.424 19906 5306 1 14 . 1 1 35 35 ILE HA H 35 4.220 4.220 4.433 -0.213 19906 5307 1 14 . 1 1 35 35 ILE CA C 35 61.720 61.720 60.018 1.702 19906 5308 1 14 . 1 1 35 35 ILE CB C 35 38.790 38.790 41.039 -2.249 19906 5309 1 14 . 1 1 35 35 ILE H H 35 8.810 8.810 7.646 1.164 19906 5310 1 14 . 1 1 36 36 GLY CA C 36 45.520 45.520 45.722 -0.202 19906 5311 1 14 . 1 1 37 37 TYR N N 37 120.400 120.400 124.202 -3.802 19906 5312 1 14 . 1 1 37 37 TYR HA H 37 5.070 5.070 4.707 0.363 19906 5313 1 14 . 1 1 37 37 TYR CA C 37 57.930 57.930 54.515 3.415 19906 5314 1 14 . 1 1 37 37 TYR CB C 37 38.950 38.950 39.931 -0.981 19906 5315 1 14 . 1 1 37 37 TYR H H 37 7.340 7.340 8.156 -0.816 19906 5316 1 14 . 1 1 38 38 ARG HA H 38 5.150 5.150 4.255 0.895 19906 5317 1 14 . 1 1 38 38 ARG CA C 38 54.450 54.450 54.740 -0.290 19906 5318 1 14 . 1 1 38 38 ARG CB C 38 31.530 31.530 30.888 0.642 19906 5319 1 14 . 1 1 39 39 ILE N N 39 129.570 129.570 124.308 5.262 19906 5320 1 14 . 1 1 39 39 ILE HA H 39 5.060 5.060 4.286 0.774 19906 5321 1 14 . 1 1 39 39 ILE CA C 39 60.030 60.030 59.945 0.085 19906 5322 1 14 . 1 1 39 39 ILE CB C 39 40.780 40.780 38.612 2.168 19906 5323 1 14 . 1 1 39 39 ILE H H 39 9.040 9.040 8.005 1.035 19906 5324 1 14 . 1 1 40 40 THR N N 40 120.430 120.430 122.889 -2.459 19906 5325 1 14 . 1 1 40 40 THR HA H 40 5.210 5.210 4.545 0.665 19906 5326 1 14 . 1 1 40 40 THR CA C 40 61.130 61.130 62.090 -0.960 19906 5327 1 14 . 1 1 40 40 THR CB C 40 71.090 71.090 70.207 0.883 19906 5328 1 14 . 1 1 40 40 THR H H 40 8.880 8.880 8.028 0.852 19906 5329 1 14 . 1 1 41 41 VAL HA H 41 5.030 5.030 4.556 0.474 19906 5330 1 14 . 1 1 41 41 VAL CA C 41 61.280 61.280 59.931 1.349 19906 5331 1 14 . 1 1 41 41 VAL CB C 41 33.800 33.800 34.563 -0.763 19906 5332 1 14 . 1 1 41 41 VAL H H 41 8.820 8.820 8.443 0.377 19906 5333 1 14 . 1 1 42 42 VAL N N 42 127.670 127.670 126.387 1.283 19906 5334 1 14 . 1 1 42 42 VAL HA H 42 4.650 4.650 4.299 0.351 19906 5335 1 14 . 1 1 42 42 VAL CA C 42 60.320 60.320 60.406 -0.086 19906 5336 1 14 . 1 1 42 42 VAL CB C 42 35.800 35.800 36.466 -0.666 19906 5337 1 14 . 1 1 42 42 VAL H H 42 9.100 9.100 9.327 -0.227 19906 5338 1 14 . 1 1 43 43 ALA N N 43 131.340 131.340 128.745 2.595 19906 5339 1 14 . 1 1 43 43 ALA HA H 43 4.410 4.410 4.052 0.358 19906 5340 1 14 . 1 1 43 43 ALA CA C 43 52.420 52.420 50.646 1.774 19906 5341 1 14 . 1 1 43 43 ALA CB C 43 18.750 18.750 19.668 -0.918 19906 5342 1 14 . 1 1 43 43 ALA H H 43 9.420 9.420 8.410 1.010 19906 5343 1 14 . 1 1 44 44 ALA N N 44 126.040 126.040 125.803 0.237 19906 5344 1 14 . 1 1 44 44 ALA HA H 44 4.120 4.120 4.383 -0.263 19906 5345 1 14 . 1 1 44 44 ALA CA C 44 53.790 53.790 52.712 1.079 19906 5346 1 14 . 1 1 44 44 ALA CB C 44 18.680 18.680 19.587 -0.907 19906 5347 1 14 . 1 1 44 44 ALA H H 44 8.260 8.260 7.935 0.325 19906 5348 1 14 . 1 1 45 45 GLY CA C 45 45.620 45.620 44.888 0.732 19906 5349 1 14 . 1 1 45 45 GLY H H 45 8.700 8.700 8.230 0.470 19906 5350 1 14 . 1 1 46 46 GLU N N 46 119.650 119.650 118.646 1.004 19906 5351 1 14 . 1 1 46 46 GLU HA H 46 4.470 4.470 4.428 0.042 19906 5352 1 14 . 1 1 46 46 GLU CA C 46 55.870 55.870 55.245 0.625 19906 5353 1 14 . 1 1 46 46 GLU CB C 46 30.520 30.520 31.918 -1.398 19906 5354 1 14 . 1 1 46 46 GLU H H 46 8.110 8.110 7.301 0.809 19906 5355 1 14 . 1 1 47 47 GLY N N 47 107.160 107.160 109.944 -2.784 19906 5356 1 14 . 1 1 47 47 GLY CA C 47 45.910 45.910 45.849 0.061 19906 5357 1 14 . 1 1 47 47 GLY H H 47 8.400 8.400 8.641 -0.241 19906 5358 1 14 . 1 1 48 48 ILE N N 48 120.010 120.010 121.235 -1.225 19906 5359 1 14 . 1 1 48 48 ILE HA H 48 4.620 4.620 4.341 0.279 19906 5360 1 14 . 1 1 48 48 ILE CA C 48 58.500 58.500 57.841 0.659 19906 5361 1 14 . 1 1 48 48 ILE CB C 48 39.400 39.400 41.269 -1.869 19906 5362 1 14 . 1 1 48 48 ILE H H 48 7.440 7.440 7.379 0.061 19906 5363 1 14 . 1 1 49 49 PRO HA H 49 4.530 4.530 4.508 0.022 19906 5364 1 14 . 1 1 49 49 PRO CA C 49 63.590 63.590 62.066 1.524 19906 5365 1 14 . 1 1 49 49 PRO CB C 49 31.880 31.880 32.190 -0.309 19906 5366 1 14 . 1 1 50 50 ILE N N 50 122.120 122.120 119.920 2.200 19906 5367 1 14 . 1 1 50 50 ILE HA H 50 4.150 4.150 3.956 0.194 19906 5368 1 14 . 1 1 50 50 ILE CA C 50 63.310 63.310 61.219 2.091 19906 5369 1 14 . 1 1 50 50 ILE CB C 50 38.020 38.020 38.517 -0.497 19906 5370 1 14 . 1 1 50 50 ILE H H 50 8.720 8.720 8.141 0.579 19906 5371 1 14 . 1 1 51 51 PHE HA H 51 4.770 4.770 4.565 0.205 19906 5372 1 14 . 1 1 51 51 PHE CA C 51 57.900 57.900 57.905 -0.005 19906 5373 1 14 . 1 1 51 51 PHE CB C 51 41.870 41.870 39.410 2.460 19906 5374 1 14 . 1 1 52 52 GLU HA H 52 5.350 5.350 4.218 1.132 19906 5375 1 14 . 1 1 52 52 GLU CA C 52 55.140 55.140 56.360 -1.220 19906 5376 1 14 . 1 1 52 52 GLU CB C 52 32.030 32.030 30.492 1.538 19906 5377 1 14 . 1 1 53 53 ASP N N 53 122.750 122.750 119.335 3.415 19906 5378 1 14 . 1 1 53 53 ASP HA H 53 5.000 5.000 4.776 0.224 19906 5379 1 14 . 1 1 53 53 ASP CA C 53 52.950 52.950 53.383 -0.433 19906 5380 1 14 . 1 1 53 53 ASP CB C 53 44.770 44.770 44.675 0.095 19906 5381 1 14 . 1 1 53 53 ASP H H 53 8.850 8.850 7.752 1.098 19906 5382 1 14 . 1 1 54 54 PHE N N 54 121.100 121.100 121.315 -0.215 19906 5383 1 14 . 1 1 54 54 PHE HA H 54 5.380 5.380 4.553 0.827 19906 5384 1 14 . 1 1 54 54 PHE CA C 54 56.180 56.180 57.197 -1.017 19906 5385 1 14 . 1 1 54 54 PHE CB C 54 42.110 42.110 39.773 2.337 19906 5386 1 14 . 1 1 54 54 PHE H H 54 8.770 8.770 8.532 0.238 19906 5387 1 14 . 1 1 55 55 VAL N N 55 125.760 125.760 124.785 0.975 19906 5388 1 14 . 1 1 55 55 VAL HA H 55 4.320 4.320 4.375 -0.055 19906 5389 1 14 . 1 1 55 55 VAL CA C 55 59.140 59.140 59.754 -0.614 19906 5390 1 14 . 1 1 55 55 VAL CB C 55 34.940 34.940 35.390 -0.450 19906 5391 1 14 . 1 1 55 55 VAL H H 55 8.290 8.290 8.049 0.241 19906 5392 1 14 . 1 1 56 56 ASP N N 56 127.100 127.100 126.548 0.552 19906 5393 1 14 . 1 1 56 56 ASP HA H 56 4.560 4.560 4.633 -0.073 19906 5394 1 14 . 1 1 56 56 ASP CA C 56 54.980 54.980 54.838 0.142 19906 5395 1 14 . 1 1 56 56 ASP CB C 56 42.730 42.730 41.902 0.828 19906 5396 1 14 . 1 1 56 56 ASP H H 56 8.460 8.460 8.592 -0.132 19906 5397 1 14 . 1 1 57 57 SER N N 57 119.630 119.630 115.642 3.988 19906 5398 1 14 . 1 1 57 57 SER HA H 57 4.330 4.330 4.415 -0.085 19906 5399 1 14 . 1 1 57 57 SER CA C 57 60.630 60.630 60.917 -0.287 19906 5400 1 14 . 1 1 57 57 SER CB C 57 62.680 62.680 63.465 -0.785 19906 5401 1 14 . 1 1 57 57 SER H H 57 8.260 8.260 8.756 -0.496 19906 5402 1 14 . 1 1 58 58 SER N N 58 117.030 117.030 115.186 1.844 19906 5403 1 14 . 1 1 58 58 SER HA H 58 4.400 4.400 4.184 0.216 19906 5404 1 14 . 1 1 58 58 SER CA C 58 60.430 60.430 61.060 -0.630 19906 5405 1 14 . 1 1 58 58 SER CB C 58 63.700 63.700 62.597 1.103 19906 5406 1 14 . 1 1 58 58 SER H H 58 9.080 9.080 8.309 0.771 19906 5407 1 14 . 1 1 59 59 VAL N N 59 119.350 119.350 118.114 1.236 19906 5408 1 14 . 1 1 59 59 VAL HA H 59 3.790 3.790 3.469 0.321 19906 5409 1 14 . 1 1 59 59 VAL CA C 59 65.670 65.670 64.315 1.355 19906 5410 1 14 . 1 1 59 59 VAL CB C 59 32.400 32.400 31.010 1.390 19906 5411 1 14 . 1 1 59 59 VAL H H 59 7.570 7.570 7.374 0.196 19906 5412 1 14 . 1 1 60 60 GLY N N 60 104.070 104.070 106.554 -2.484 19906 5413 1 14 . 1 1 60 60 GLY CA C 60 44.430 44.430 45.759 -1.329 19906 5414 1 14 . 1 1 60 60 GLY H H 60 6.120 6.120 7.618 -1.498 19906 5415 1 14 . 1 1 61 61 TYR N N 61 117.690 117.690 118.866 -1.176 19906 5416 1 14 . 1 1 61 61 TYR HA H 61 5.030 5.030 5.427 -0.397 19906 5417 1 14 . 1 1 61 61 TYR CA C 61 56.320 56.320 54.335 1.985 19906 5418 1 14 . 1 1 61 61 TYR CB C 61 41.700 41.700 40.655 1.045 19906 5419 1 14 . 1 1 61 61 TYR H H 61 6.080 6.080 6.959 -0.879 19906 5420 1 14 . 1 1 62 62 TYR N N 62 126.650 126.650 120.874 5.776 19906 5421 1 14 . 1 1 62 62 TYR HA H 62 4.440 4.440 4.903 -0.463 19906 5422 1 14 . 1 1 62 62 TYR CA C 62 58.560 58.560 57.647 0.913 19906 5423 1 14 . 1 1 62 62 TYR CB C 62 43.550 43.550 43.135 0.415 19906 5424 1 14 . 1 1 62 62 TYR H H 62 8.440 8.440 9.056 -0.616 19906 5425 1 14 . 1 1 63 63 THR N N 63 122.160 122.160 119.877 2.283 19906 5426 1 14 . 1 1 63 63 THR HA H 63 4.780 4.780 4.671 0.109 19906 5427 1 14 . 1 1 63 63 THR CA C 63 61.610 61.610 60.879 0.731 19906 5428 1 14 . 1 1 63 63 THR CB C 63 69.810 69.810 70.132 -0.322 19906 5429 1 14 . 1 1 63 63 THR H H 63 7.380 7.380 7.444 -0.064 19906 5430 1 14 . 1 1 64 64 VAL N N 64 127.940 127.940 125.456 2.484 19906 5431 1 14 . 1 1 64 64 VAL HA H 64 3.660 3.660 4.639 -0.979 19906 5432 1 14 . 1 1 64 64 VAL CA C 64 61.840 61.840 60.621 1.218 19906 5433 1 14 . 1 1 64 64 VAL CB C 64 31.840 31.840 31.632 0.208 19906 5434 1 14 . 1 1 64 64 VAL H H 64 8.860 8.860 8.156 0.704 19906 5435 1 14 . 1 1 65 65 THR N N 65 116.150 116.150 115.307 0.843 19906 5436 1 14 . 1 1 65 65 THR HA H 65 4.640 4.640 5.095 -0.455 19906 5437 1 14 . 1 1 65 65 THR CA C 65 59.470 59.470 59.756 -0.286 19906 5438 1 14 . 1 1 65 65 THR CB C 65 71.160 71.160 71.618 -0.458 19906 5439 1 14 . 1 1 65 65 THR H H 65 7.290 7.290 8.129 -0.839 19906 5440 1 14 . 1 1 66 66 GLY N N 66 105.560 105.560 108.374 -2.814 19906 5441 1 14 . 1 1 66 66 GLY CA C 66 45.860 45.860 44.865 0.995 19906 5442 1 14 . 1 1 66 66 GLY H H 66 8.450 8.450 8.227 0.223 19906 5443 1 14 . 1 1 67 67 LEU N N 67 119.080 119.080 120.463 -1.383 19906 5444 1 14 . 1 1 67 67 LEU HA H 67 4.180 4.180 3.861 0.319 19906 5445 1 14 . 1 1 67 67 LEU CA C 67 53.380 53.380 52.676 0.704 19906 5446 1 14 . 1 1 67 67 LEU CB C 67 41.630 41.630 40.979 0.651 19906 5447 1 14 . 1 1 67 67 LEU H H 67 7.850 7.850 8.096 -0.246 19906 5448 1 14 . 1 1 68 68 GLU N N 68 120.030 120.030 123.845 -3.815 19906 5449 1 14 . 1 1 68 68 GLU HA H 68 4.920 4.920 4.315 0.605 19906 5450 1 14 . 1 1 68 68 GLU CA C 68 52.510 52.510 55.054 -2.544 19906 5451 1 14 . 1 1 68 68 GLU CB C 68 31.040 31.040 29.208 1.832 19906 5452 1 14 . 1 1 68 68 GLU H H 68 8.500 8.500 8.408 0.092 19906 5453 1 14 . 1 1 69 69 PRO HA H 69 4.470 4.470 4.458 0.012 19906 5454 1 14 . 1 1 69 69 PRO CA C 69 62.740 62.740 63.172 -0.432 19906 5455 1 14 . 1 1 69 69 PRO CB C 69 31.410 31.410 32.116 -0.706 19906 5456 1 14 . 1 1 70 70 GLY N N 70 106.940 106.940 108.583 -1.643 19906 5457 1 14 . 1 1 70 70 GLY CA C 70 45.830 45.830 45.722 0.108 19906 5458 1 14 . 1 1 70 70 GLY H H 70 8.500 8.500 8.818 -0.318 19906 5459 1 14 . 1 1 71 71 ILE N N 71 120.080 120.080 121.517 -1.437 19906 5460 1 14 . 1 1 71 71 ILE HA H 71 4.080 4.080 4.163 -0.083 19906 5461 1 14 . 1 1 71 71 ILE CA C 71 58.710 58.710 60.247 -1.537 19906 5462 1 14 . 1 1 71 71 ILE CB C 71 40.410 40.410 39.608 0.802 19906 5463 1 14 . 1 1 71 71 ILE H H 71 7.510 7.510 7.429 0.081 19906 5464 1 14 . 1 1 72 72 ASP N N 72 124.920 124.920 126.694 -1.774 19906 5465 1 14 . 1 1 72 72 ASP HA H 72 4.930 4.930 4.647 0.283 19906 5466 1 14 . 1 1 72 72 ASP CA C 72 54.260 54.260 53.484 0.775 19906 5467 1 14 . 1 1 72 72 ASP CB C 72 41.120 41.120 41.452 -0.332 19906 5468 1 14 . 1 1 72 72 ASP H H 72 8.190 8.190 8.458 -0.268 19906 5469 1 14 . 1 1 73 73 TYR N N 73 122.440 122.440 125.024 -2.584 19906 5470 1 14 . 1 1 73 73 TYR HA H 73 5.070 5.070 4.766 0.304 19906 5471 1 14 . 1 1 73 73 TYR CA C 73 57.390 57.390 57.726 -0.336 19906 5472 1 14 . 1 1 73 73 TYR CB C 73 40.550 40.550 40.532 0.018 19906 5473 1 14 . 1 1 73 73 TYR H H 73 9.310 9.310 8.522 0.788 19906 5474 1 14 . 1 1 74 74 ASP N N 74 122.980 122.980 125.023 -2.043 19906 5475 1 14 . 1 1 74 74 ASP HA H 74 5.220 5.220 4.924 0.296 19906 5476 1 14 . 1 1 74 74 ASP CA C 74 53.900 53.900 54.198 -0.298 19906 5477 1 14 . 1 1 74 74 ASP CB C 74 42.120 42.120 41.776 0.344 19906 5478 1 14 . 1 1 74 74 ASP H H 74 9.290 9.290 8.848 0.442 19906 5479 1 14 . 1 1 75 75 ILE N N 75 124.270 124.270 119.659 4.611 19906 5480 1 14 . 1 1 75 75 ILE HA H 75 5.470 5.470 4.733 0.737 19906 5481 1 14 . 1 1 75 75 ILE CA C 75 58.400 58.400 58.390 0.010 19906 5482 1 14 . 1 1 75 75 ILE CB C 75 40.900 40.900 40.504 0.396 19906 5483 1 14 . 1 1 75 75 ILE H H 75 8.810 8.810 8.343 0.467 19906 5484 1 14 . 1 1 76 76 SER N N 76 121.300 121.300 116.813 4.487 19906 5485 1 14 . 1 1 76 76 SER HA H 76 5.800 5.800 4.837 0.963 19906 5486 1 14 . 1 1 76 76 SER CA C 76 56.340 56.340 57.762 -1.422 19906 5487 1 14 . 1 1 76 76 SER CB C 76 66.180 66.180 64.770 1.410 19906 5488 1 14 . 1 1 76 76 SER H H 76 8.760 8.760 8.683 0.077 19906 5489 1 14 . 1 1 77 77 VAL N N 77 124.740 124.740 124.346 0.394 19906 5490 1 14 . 1 1 77 77 VAL HA H 77 4.760 4.760 4.294 0.466 19906 5491 1 14 . 1 1 77 77 VAL CA C 77 61.190 61.190 61.633 -0.444 19906 5492 1 14 . 1 1 77 77 VAL CB C 77 33.270 33.270 33.110 0.160 19906 5493 1 14 . 1 1 77 77 VAL H H 77 9.420 9.420 8.385 1.035 19906 5494 1 14 . 1 1 78 78 ILE N N 78 126.300 126.300 127.900 -1.600 19906 5495 1 14 . 1 1 78 78 ILE HA H 78 4.710 4.710 4.345 0.365 19906 5496 1 14 . 1 1 78 78 ILE CA C 78 61.160 61.160 60.405 0.755 19906 5497 1 14 . 1 1 78 78 ILE CB C 78 41.050 41.050 40.206 0.844 19906 5498 1 14 . 1 1 78 78 ILE H H 78 9.370 9.370 8.484 0.886 19906 5499 1 14 . 1 1 79 79 THR N N 79 122.350 122.350 122.987 -0.637 19906 5500 1 14 . 1 1 79 79 THR HA H 79 4.280 4.280 4.420 -0.140 19906 5501 1 14 . 1 1 79 79 THR CA C 79 64.260 64.260 62.040 2.220 19906 5502 1 14 . 1 1 79 79 THR CB C 79 69.130 69.130 69.381 -0.251 19906 5503 1 14 . 1 1 79 79 THR H H 79 8.550 8.550 8.393 0.157 19906 5504 1 14 . 1 1 80 80 LEU N N 80 128.900 128.900 130.807 -1.907 19906 5505 1 14 . 1 1 80 80 LEU HA H 80 4.730 4.730 4.664 0.066 19906 5506 1 14 . 1 1 80 80 LEU CA C 80 54.060 54.060 54.332 -0.272 19906 5507 1 14 . 1 1 80 80 LEU CB C 80 41.470 41.470 43.650 -2.180 19906 5508 1 14 . 1 1 80 80 LEU H H 80 8.660 8.660 8.605 0.055 19906 5509 1 14 . 1 1 81 81 ILE N N 81 121.640 121.640 119.337 2.303 19906 5510 1 14 . 1 1 81 81 ILE HA H 81 4.870 4.870 4.450 0.420 19906 5511 1 14 . 1 1 81 81 ILE CA C 81 59.300 59.300 59.972 -0.672 19906 5512 1 14 . 1 1 81 81 ILE CB C 81 40.510 40.510 41.484 -0.974 19906 5513 1 14 . 1 1 81 81 ILE H H 81 8.350 8.350 7.907 0.443 19906 5514 1 14 . 1 1 82 82 ASN N N 82 123.240 123.240 121.523 1.717 19906 5515 1 14 . 1 1 82 82 ASN HA H 82 4.640 4.640 4.611 0.029 19906 5516 1 14 . 1 1 82 82 ASN CA C 82 53.450 53.450 54.123 -0.673 19906 5517 1 14 . 1 1 82 82 ASN CB C 82 38.940 38.940 39.177 -0.237 19906 5518 1 14 . 1 1 82 82 ASN H H 82 8.820 8.820 8.680 0.140 19906 5519 1 14 . 1 1 83 83 GLY N N 83 112.680 112.680 107.474 5.206 19906 5520 1 14 . 1 1 83 83 GLY CA C 83 45.420 45.420 44.392 1.028 19906 5521 1 14 . 1 1 83 83 GLY H H 83 8.630 8.630 8.511 0.119 19906 5522 1 14 . 1 1 84 84 GLY N N 84 108.560 108.560 106.634 1.926 19906 5523 1 14 . 1 1 84 84 GLY CA C 84 45.190 45.190 44.289 0.901 19906 5524 1 14 . 1 1 84 84 GLY H H 84 8.280 8.280 8.267 0.013 19906 5525 1 14 . 1 1 85 85 GLU N N 85 120.690 120.690 120.041 0.649 19906 5526 1 14 . 1 1 85 85 GLU HA H 85 4.320 4.320 4.203 0.117 19906 5527 1 14 . 1 1 85 85 GLU CA C 85 56.480 56.480 56.505 -0.025 19906 5528 1 14 . 1 1 85 85 GLU CB C 85 30.480 30.480 30.351 0.129 19906 5529 1 14 . 1 1 85 85 GLU H H 85 8.460 8.460 8.329 0.131 19906 5530 1 14 . 1 1 86 86 SER N N 86 116.860 116.860 116.003 0.857 19906 5531 1 14 . 1 1 86 86 SER HA H 86 4.430 4.430 4.199 0.231 19906 5532 1 14 . 1 1 86 86 SER CA C 86 57.920 57.920 59.537 -1.617 19906 5533 1 14 . 1 1 86 86 SER CB C 86 63.720 63.720 63.516 0.204 19906 5534 1 14 . 1 1 86 86 SER H H 86 8.350 8.350 8.268 0.082 19906 5535 1 14 . 1 1 87 87 ALA N N 87 126.890 126.890 127.011 -0.121 19906 5536 1 14 . 1 1 87 87 ALA HA H 87 4.580 4.580 4.168 0.412 19906 5537 1 14 . 1 1 87 87 ALA CA C 87 50.450 50.450 52.157 -1.708 19906 5538 1 14 . 1 1 87 87 ALA CB C 87 18.110 18.110 17.646 0.464 19906 5539 1 14 . 1 1 87 87 ALA H H 87 8.240 8.240 8.453 -0.213 19906 5540 1 14 . 1 1 88 88 PRO HA H 88 4.470 4.470 4.258 0.212 19906 5541 1 14 . 1 1 88 88 PRO CA C 88 62.960 62.960 64.037 -1.077 19906 5542 1 14 . 1 1 88 88 PRO CB C 88 31.460 31.460 32.263 -0.803 19906 5543 1 14 . 1 1 89 89 THR N N 89 114.280 114.280 113.509 0.771 19906 5544 1 14 . 1 1 89 89 THR HA H 89 4.340 4.340 4.455 -0.115 19906 5545 1 14 . 1 1 89 89 THR CA C 89 62.320 62.320 61.117 1.202 19906 5546 1 14 . 1 1 89 89 THR CB C 89 69.530 69.530 69.731 -0.201 19906 5547 1 14 . 1 1 89 89 THR H H 89 8.270 8.270 7.510 0.760 19906 5548 1 14 . 1 1 90 90 THR N N 90 116.290 116.290 118.197 -1.907 19906 5549 1 14 . 1 1 90 90 THR HA H 90 4.330 4.330 4.359 -0.029 19906 5550 1 14 . 1 1 90 90 THR CA C 90 61.890 61.890 61.070 0.820 19906 5551 1 14 . 1 1 90 90 THR CB C 90 69.500 69.500 69.788 -0.288 19906 5552 1 14 . 1 1 90 90 THR H H 90 8.090 8.090 8.273 -0.183 19906 5553 1 14 . 1 1 91 91 LEU N N 91 124.660 124.660 122.504 2.156 19906 5554 1 14 . 1 1 91 91 LEU HA H 91 4.410 4.410 4.571 -0.161 19906 5555 1 14 . 1 1 91 91 LEU CA C 91 55.590 55.590 54.701 0.889 19906 5556 1 14 . 1 1 91 91 LEU CB C 91 41.600 41.600 42.017 -0.418 19906 5557 1 14 . 1 1 91 91 LEU H H 91 8.290 8.290 8.485 -0.195 19906 5558 1 14 . 1 1 92 92 THR N N 92 115.030 115.030 117.111 -2.081 19906 5559 1 14 . 1 1 92 92 THR HA H 92 4.300 4.300 4.502 -0.202 19906 5560 1 14 . 1 1 92 92 THR CA C 92 61.890 61.890 61.032 0.858 19906 5561 1 14 . 1 1 92 92 THR CB C 92 69.500 69.500 69.697 -0.197 19906 5562 1 14 . 1 1 92 92 THR H H 92 8.100 8.100 8.301 -0.201 19906 5563 1 14 . 1 1 93 93 GLN N N 93 123.200 123.200 121.009 2.191 19906 5564 1 14 . 1 1 93 93 GLN HA H 93 4.350 4.350 4.312 0.038 19906 5565 1 14 . 1 1 93 93 GLN CA C 93 55.720 55.720 55.668 0.052 19906 5566 1 14 . 1 1 93 93 GLN CB C 93 29.050 29.050 29.582 -0.532 19906 5567 1 14 . 1 1 93 93 GLN H H 93 8.380 8.380 8.344 0.036 19906 5568 1 14 . 1 1 94 94 GLN N N 94 122.720 122.720 122.377 0.343 19906 5569 1 14 . 1 1 94 94 GLN HA H 94 4.400 4.400 4.133 0.267 19906 5570 1 14 . 1 1 94 94 GLN CA C 94 55.780 55.780 57.586 -1.806 19906 5571 1 14 . 1 1 94 94 GLN CB C 94 29.100 29.100 29.185 -0.085 19906 5572 1 14 . 1 1 94 94 GLN H H 94 8.480 8.480 8.604 -0.124 19906 5573 1 15 . 1 1 4 4 SER HA H 4 4.400 4.400 4.425 -0.025 19906 5574 1 15 . 1 1 4 4 SER CA C 4 58.290 58.290 58.210 0.080 19906 5575 1 15 . 1 1 4 4 SER CB C 4 63.790 63.790 64.275 -0.485 19906 5576 1 15 . 1 1 5 5 GLU N N 5 121.960 121.960 125.180 -3.220 19906 5577 1 15 . 1 1 5 5 GLU HA H 5 4.410 4.410 4.490 -0.080 19906 5578 1 15 . 1 1 5 5 GLU CA C 5 55.610 55.610 56.252 -0.642 19906 5579 1 15 . 1 1 5 5 GLU CB C 5 31.950 31.950 30.426 1.524 19906 5580 1 15 . 1 1 5 5 GLU H H 5 8.450 8.450 8.402 0.048 19906 5581 1 15 . 1 1 6 6 VAL N N 6 122.170 122.170 119.955 2.215 19906 5582 1 15 . 1 1 6 6 VAL HA H 6 4.070 4.070 4.580 -0.510 19906 5583 1 15 . 1 1 6 6 VAL CA C 6 56.380 56.380 59.510 -3.130 19906 5584 1 15 . 1 1 6 6 VAL CB C 6 29.500 29.500 31.598 -2.098 19906 5585 1 15 . 1 1 6 6 VAL H H 6 8.260 8.260 8.108 0.152 19906 5586 1 15 . 1 1 9 9 LEU N N 9 123.830 123.830 127.036 -3.206 19906 5587 1 15 . 1 1 9 9 LEU HA H 9 4.490 4.490 4.529 -0.039 19906 5588 1 15 . 1 1 9 9 LEU CA C 9 54.820 54.820 55.062 -0.242 19906 5589 1 15 . 1 1 9 9 LEU CB C 9 41.930 41.930 42.117 -0.187 19906 5590 1 15 . 1 1 9 9 LEU H H 9 7.770 7.770 8.459 -0.689 19906 5591 1 15 . 1 1 11 11 ASP HA H 11 4.730 4.730 4.820 -0.090 19906 5592 1 15 . 1 1 11 11 ASP CA C 11 53.060 53.060 53.355 -0.295 19906 5593 1 15 . 1 1 11 11 ASP CB C 11 38.110 38.110 42.527 -4.417 19906 5594 1 15 . 1 1 12 12 LEU N N 12 122.730 122.730 122.418 0.312 19906 5595 1 15 . 1 1 12 12 LEU HA H 12 4.660 4.660 4.303 0.357 19906 5596 1 15 . 1 1 12 12 LEU CA C 12 55.130 55.130 55.629 -0.499 19906 5597 1 15 . 1 1 12 12 LEU CB C 12 43.390 43.390 42.690 0.700 19906 5598 1 15 . 1 1 12 12 LEU H H 12 7.420 7.420 8.304 -0.884 19906 5599 1 15 . 1 1 13 13 SER N N 13 120.760 120.760 120.660 0.100 19906 5600 1 15 . 1 1 13 13 SER HA H 13 4.270 4.270 4.708 -0.438 19906 5601 1 15 . 1 1 13 13 SER CA C 13 56.880 56.880 57.553 -0.673 19906 5602 1 15 . 1 1 13 13 SER CB C 13 65.890 65.890 66.052 -0.162 19906 5603 1 15 . 1 1 13 13 SER H H 13 9.020 9.020 8.150 0.870 19906 5604 1 15 . 1 1 14 14 PHE N N 14 119.920 119.920 119.998 -0.078 19906 5605 1 15 . 1 1 14 14 PHE HA H 14 5.510 5.510 4.833 0.677 19906 5606 1 15 . 1 1 14 14 PHE CA C 14 56.760 56.760 56.941 -0.182 19906 5607 1 15 . 1 1 14 14 PHE CB C 14 39.930 39.930 41.084 -1.155 19906 5608 1 15 . 1 1 14 14 PHE H H 14 8.370 8.370 8.776 -0.406 19906 5609 1 15 . 1 1 15 15 VAL N N 15 117.820 117.820 117.286 0.534 19906 5610 1 15 . 1 1 15 15 VAL HA H 15 4.680 4.680 4.617 0.063 19906 5611 1 15 . 1 1 15 15 VAL CA C 15 58.880 58.880 60.612 -1.732 19906 5612 1 15 . 1 1 15 15 VAL CB C 15 36.900 36.900 35.213 1.687 19906 5613 1 15 . 1 1 15 15 VAL H H 15 9.100 9.100 8.392 0.708 19906 5614 1 15 . 1 1 16 16 ASP N N 16 116.850 116.850 118.291 -1.441 19906 5615 1 15 . 1 1 16 16 ASP HA H 16 4.190 4.190 4.298 -0.108 19906 5616 1 15 . 1 1 16 16 ASP CA C 16 54.550 54.550 55.635 -1.085 19906 5617 1 15 . 1 1 16 16 ASP CB C 16 38.920 38.920 39.586 -0.666 19906 5618 1 15 . 1 1 16 16 ASP H H 16 8.520 8.520 8.853 -0.333 19906 5619 1 15 . 1 1 17 17 ILE N N 17 118.600 118.600 119.308 -0.708 19906 5620 1 15 . 1 1 17 17 ILE HA H 17 4.150 4.150 3.941 0.209 19906 5621 1 15 . 1 1 17 17 ILE CA C 17 63.190 63.190 63.064 0.126 19906 5622 1 15 . 1 1 17 17 ILE CB C 17 37.770 37.770 38.536 -0.766 19906 5623 1 15 . 1 1 17 17 ILE H H 17 8.150 8.150 7.969 0.181 19906 5624 1 15 . 1 1 18 18 THR N N 18 122.160 122.160 121.708 0.452 19906 5625 1 15 . 1 1 18 18 THR HA H 18 4.910 4.910 4.582 0.328 19906 5626 1 15 . 1 1 18 18 THR CA C 18 60.570 60.570 60.779 -0.209 19906 5627 1 15 . 1 1 18 18 THR CB C 18 70.600 70.600 70.284 0.316 19906 5628 1 15 . 1 1 18 18 THR H H 18 8.740 8.740 8.234 0.506 19906 5629 1 15 . 1 1 19 19 ASP N N 19 115.600 115.600 121.686 -6.086 19906 5630 1 15 . 1 1 19 19 ASP HA H 19 4.480 4.480 4.595 -0.115 19906 5631 1 15 . 1 1 19 19 ASP CA C 19 54.880 54.880 55.692 -0.812 19906 5632 1 15 . 1 1 19 19 ASP CB C 19 40.430 40.430 40.251 0.179 19906 5633 1 15 . 1 1 19 19 ASP H H 19 8.450 8.450 8.559 -0.109 19906 5634 1 15 . 1 1 20 20 SER N N 20 108.500 108.500 113.663 -5.163 19906 5635 1 15 . 1 1 20 20 SER HA H 20 4.620 4.620 4.832 -0.212 19906 5636 1 15 . 1 1 20 20 SER CA C 20 57.660 57.660 58.214 -0.554 19906 5637 1 15 . 1 1 20 20 SER CB C 20 66.090 66.090 64.282 1.808 19906 5638 1 15 . 1 1 20 20 SER H H 20 8.120 8.120 8.054 0.066 19906 5639 1 15 . 1 1 21 21 SER N N 21 116.590 116.590 113.685 2.905 19906 5640 1 15 . 1 1 21 21 SER HA H 21 5.230 5.230 5.488 -0.258 19906 5641 1 15 . 1 1 21 21 SER CA C 21 56.730 56.730 57.218 -0.488 19906 5642 1 15 . 1 1 21 21 SER CB C 21 66.730 66.730 66.283 0.447 19906 5643 1 15 . 1 1 21 21 SER H H 21 7.530 7.530 7.520 0.010 19906 5644 1 15 . 1 1 22 22 ILE N N 22 113.850 113.850 115.674 -1.824 19906 5645 1 15 . 1 1 22 22 ILE HA H 22 4.490 4.490 4.818 -0.328 19906 5646 1 15 . 1 1 22 22 ILE CA C 22 60.320 60.320 59.176 1.144 19906 5647 1 15 . 1 1 22 22 ILE CB C 22 42.650 42.650 41.998 0.652 19906 5648 1 15 . 1 1 22 22 ILE H H 22 8.210 8.210 8.000 0.210 19906 5649 1 15 . 1 1 23 23 GLY N N 23 112.950 112.950 112.144 0.806 19906 5650 1 15 . 1 1 23 23 GLY CA C 23 44.110 44.110 44.324 -0.214 19906 5651 1 15 . 1 1 23 23 GLY H H 23 8.300 8.300 8.636 -0.336 19906 5652 1 15 . 1 1 24 24 LEU N N 24 123.740 123.740 125.904 -2.164 19906 5653 1 15 . 1 1 24 24 LEU HA H 24 4.820 4.820 4.201 0.619 19906 5654 1 15 . 1 1 24 24 LEU CA C 24 53.930 53.930 55.655 -1.725 19906 5655 1 15 . 1 1 24 24 LEU CB C 24 42.470 42.470 41.863 0.607 19906 5656 1 15 . 1 1 24 24 LEU H H 24 8.820 8.820 7.686 1.134 19906 5657 1 15 . 1 1 25 25 ARG N N 25 119.980 119.980 125.463 -5.483 19906 5658 1 15 . 1 1 25 25 ARG HA H 25 4.890 4.890 4.759 0.131 19906 5659 1 15 . 1 1 25 25 ARG CA C 25 54.040 54.040 54.712 -0.673 19906 5660 1 15 . 1 1 25 25 ARG CB C 25 33.850 33.850 34.002 -0.152 19906 5661 1 15 . 1 1 25 25 ARG H H 25 8.570 8.570 7.953 0.617 19906 5662 1 15 . 1 1 26 26 TRP N N 26 122.480 122.480 124.348 -1.868 19906 5663 1 15 . 1 1 26 26 TRP HA H 26 4.840 4.840 5.075 -0.235 19906 5664 1 15 . 1 1 26 26 TRP CA C 26 56.790 56.790 56.168 0.622 19906 5665 1 15 . 1 1 26 26 TRP CB C 26 31.460 31.460 31.189 0.270 19906 5666 1 15 . 1 1 26 26 TRP H H 26 7.960 7.960 7.386 0.574 19906 5667 1 15 . 1 1 27 27 THR N N 27 119.820 119.820 118.934 0.886 19906 5668 1 15 . 1 1 27 27 THR HA H 27 4.750 4.750 4.526 0.224 19906 5669 1 15 . 1 1 27 27 THR CA C 27 60.690 60.690 59.924 0.766 19906 5670 1 15 . 1 1 27 27 THR CB C 27 68.460 68.460 69.181 -0.721 19906 5671 1 15 . 1 1 27 27 THR H H 27 9.780 9.780 8.433 1.347 19906 5672 1 15 . 1 1 28 28 PRO HA H 28 4.470 4.470 4.441 0.029 19906 5673 1 15 . 1 1 28 28 PRO CA C 28 63.260 63.260 63.251 0.009 19906 5674 1 15 . 1 1 28 28 PRO CB C 28 31.980 31.980 32.170 -0.190 19906 5675 1 15 . 1 1 29 29 LEU N N 29 124.220 124.220 122.347 1.873 19906 5676 1 15 . 1 1 29 29 LEU HA H 29 4.490 4.490 4.406 0.084 19906 5677 1 15 . 1 1 29 29 LEU CA C 29 54.150 54.150 54.867 -0.717 19906 5678 1 15 . 1 1 29 29 LEU CB C 29 43.040 43.040 42.107 0.933 19906 5679 1 15 . 1 1 29 29 LEU H H 29 8.570 8.570 8.257 0.313 19906 5680 1 15 . 1 1 30 30 ASN N N 30 119.950 119.950 120.619 -0.669 19906 5681 1 15 . 1 1 30 30 ASN HA H 30 4.700 4.700 4.463 0.237 19906 5682 1 15 . 1 1 30 30 ASN CA C 30 53.570 53.570 55.588 -2.018 19906 5683 1 15 . 1 1 30 30 ASN CB C 30 38.340 38.340 38.483 -0.143 19906 5684 1 15 . 1 1 30 30 ASN H H 30 8.630 8.630 8.889 -0.259 19906 5685 1 15 . 1 1 31 31 SER N N 31 114.290 114.290 112.819 1.471 19906 5686 1 15 . 1 1 31 31 SER HA H 31 4.560 4.560 4.391 0.169 19906 5687 1 15 . 1 1 31 31 SER CA C 31 57.500 57.500 59.392 -1.893 19906 5688 1 15 . 1 1 31 31 SER CB C 31 63.480 63.480 63.315 0.165 19906 5689 1 15 . 1 1 31 31 SER H H 31 8.090 8.090 7.969 0.121 19906 5690 1 15 . 1 1 32 32 SER HA H 32 4.560 4.560 4.444 0.116 19906 5691 1 15 . 1 1 32 32 SER CA C 32 58.140 58.140 59.307 -1.167 19906 5692 1 15 . 1 1 32 32 SER CB C 32 63.730 63.730 63.953 -0.223 19906 5693 1 15 . 1 1 33 33 THR N N 33 114.160 114.160 118.301 -4.141 19906 5694 1 15 . 1 1 33 33 THR HA H 33 4.300 4.300 4.295 0.005 19906 5695 1 15 . 1 1 33 33 THR CA C 33 63.620 63.620 62.559 1.061 19906 5696 1 15 . 1 1 33 33 THR CB C 33 69.530 69.530 69.444 0.086 19906 5697 1 15 . 1 1 33 33 THR H H 33 8.000 8.000 8.237 -0.237 19906 5698 1 15 . 1 1 34 34 ILE N N 34 121.090 121.090 126.296 -5.206 19906 5699 1 15 . 1 1 34 34 ILE HA H 34 4.300 4.300 4.295 0.005 19906 5700 1 15 . 1 1 34 34 ILE CA C 34 61.920 61.920 59.780 2.140 19906 5701 1 15 . 1 1 34 34 ILE CB C 34 38.080 38.080 36.108 1.972 19906 5702 1 15 . 1 1 34 34 ILE H H 34 7.980 7.980 8.449 -0.469 19906 5703 1 15 . 1 1 35 35 ILE N N 35 126.230 126.230 121.209 5.021 19906 5704 1 15 . 1 1 35 35 ILE HA H 35 4.220 4.220 4.389 -0.169 19906 5705 1 15 . 1 1 35 35 ILE CA C 35 61.720 61.720 58.914 2.806 19906 5706 1 15 . 1 1 35 35 ILE CB C 35 38.790 38.790 41.354 -2.564 19906 5707 1 15 . 1 1 35 35 ILE H H 35 8.810 8.810 7.388 1.422 19906 5708 1 15 . 1 1 36 36 GLY CA C 36 45.520 45.520 45.902 -0.382 19906 5709 1 15 . 1 1 37 37 TYR N N 37 120.400 120.400 125.238 -4.838 19906 5710 1 15 . 1 1 37 37 TYR HA H 37 5.070 5.070 4.473 0.597 19906 5711 1 15 . 1 1 37 37 TYR CA C 37 57.930 57.930 58.331 -0.401 19906 5712 1 15 . 1 1 37 37 TYR CB C 37 38.950 38.950 40.269 -1.319 19906 5713 1 15 . 1 1 37 37 TYR H H 37 7.340 7.340 8.006 -0.666 19906 5714 1 15 . 1 1 38 38 ARG HA H 38 5.150 5.150 4.668 0.482 19906 5715 1 15 . 1 1 38 38 ARG CA C 38 54.450 54.450 54.271 0.179 19906 5716 1 15 . 1 1 38 38 ARG CB C 38 31.530 31.530 32.888 -1.358 19906 5717 1 15 . 1 1 39 39 ILE N N 39 129.570 129.570 124.168 5.402 19906 5718 1 15 . 1 1 39 39 ILE HA H 39 5.060 5.060 4.506 0.554 19906 5719 1 15 . 1 1 39 39 ILE CA C 39 60.030 60.030 60.013 0.017 19906 5720 1 15 . 1 1 39 39 ILE CB C 39 40.780 40.780 38.479 2.301 19906 5721 1 15 . 1 1 39 39 ILE H H 39 9.040 9.040 8.307 0.733 19906 5722 1 15 . 1 1 40 40 THR N N 40 120.430 120.430 123.203 -2.773 19906 5723 1 15 . 1 1 40 40 THR HA H 40 5.210 5.210 4.555 0.655 19906 5724 1 15 . 1 1 40 40 THR CA C 40 61.130 61.130 61.799 -0.669 19906 5725 1 15 . 1 1 40 40 THR CB C 40 71.090 71.090 70.465 0.625 19906 5726 1 15 . 1 1 40 40 THR H H 40 8.880 8.880 7.973 0.907 19906 5727 1 15 . 1 1 41 41 VAL HA H 41 5.030 5.030 4.562 0.468 19906 5728 1 15 . 1 1 41 41 VAL CA C 41 61.280 61.280 59.945 1.335 19906 5729 1 15 . 1 1 41 41 VAL CB C 41 33.800 33.800 34.141 -0.341 19906 5730 1 15 . 1 1 41 41 VAL H H 41 8.820 8.820 8.504 0.316 19906 5731 1 15 . 1 1 42 42 VAL N N 42 127.670 127.670 126.588 1.082 19906 5732 1 15 . 1 1 42 42 VAL HA H 42 4.650 4.650 4.245 0.405 19906 5733 1 15 . 1 1 42 42 VAL CA C 42 60.320 60.320 60.148 0.172 19906 5734 1 15 . 1 1 42 42 VAL CB C 42 35.800 35.800 36.223 -0.423 19906 5735 1 15 . 1 1 42 42 VAL H H 42 9.100 9.100 9.076 0.024 19906 5736 1 15 . 1 1 43 43 ALA N N 43 131.340 131.340 128.183 3.157 19906 5737 1 15 . 1 1 43 43 ALA HA H 43 4.410 4.410 3.409 1.001 19906 5738 1 15 . 1 1 43 43 ALA CA C 43 52.420 52.420 50.498 1.922 19906 5739 1 15 . 1 1 43 43 ALA CB C 43 18.750 18.750 19.117 -0.367 19906 5740 1 15 . 1 1 43 43 ALA H H 43 9.420 9.420 8.121 1.299 19906 5741 1 15 . 1 1 44 44 ALA N N 44 126.040 126.040 126.678 -0.638 19906 5742 1 15 . 1 1 44 44 ALA HA H 44 4.120 4.120 4.261 -0.141 19906 5743 1 15 . 1 1 44 44 ALA CA C 44 53.790 53.790 53.957 -0.167 19906 5744 1 15 . 1 1 44 44 ALA CB C 44 18.680 18.680 19.689 -1.009 19906 5745 1 15 . 1 1 44 44 ALA H H 44 8.260 8.260 8.226 0.034 19906 5746 1 15 . 1 1 45 45 GLY CA C 45 45.620 45.620 45.667 -0.047 19906 5747 1 15 . 1 1 45 45 GLY H H 45 8.700 8.700 8.203 0.497 19906 5748 1 15 . 1 1 46 46 GLU N N 46 119.650 119.650 119.792 -0.142 19906 5749 1 15 . 1 1 46 46 GLU HA H 46 4.470 4.470 4.433 0.037 19906 5750 1 15 . 1 1 46 46 GLU CA C 46 55.870 55.870 55.344 0.526 19906 5751 1 15 . 1 1 46 46 GLU CB C 46 30.520 30.520 30.069 0.451 19906 5752 1 15 . 1 1 46 46 GLU H H 46 8.110 8.110 7.708 0.402 19906 5753 1 15 . 1 1 47 47 GLY N N 47 107.160 107.160 111.903 -4.743 19906 5754 1 15 . 1 1 47 47 GLY CA C 47 45.910 45.910 46.044 -0.134 19906 5755 1 15 . 1 1 47 47 GLY H H 47 8.400 8.400 8.686 -0.286 19906 5756 1 15 . 1 1 48 48 ILE N N 48 120.010 120.010 121.497 -1.487 19906 5757 1 15 . 1 1 48 48 ILE HA H 48 4.620 4.620 4.364 0.256 19906 5758 1 15 . 1 1 48 48 ILE CA C 48 58.500 58.500 58.077 0.423 19906 5759 1 15 . 1 1 48 48 ILE CB C 48 39.400 39.400 41.015 -1.615 19906 5760 1 15 . 1 1 48 48 ILE H H 48 7.440 7.440 7.847 -0.407 19906 5761 1 15 . 1 1 49 49 PRO HA H 49 4.530 4.530 4.460 0.070 19906 5762 1 15 . 1 1 49 49 PRO CA C 49 63.590 63.590 61.975 1.615 19906 5763 1 15 . 1 1 49 49 PRO CB C 49 31.880 31.880 32.707 -0.827 19906 5764 1 15 . 1 1 50 50 ILE N N 50 122.120 122.120 119.744 2.376 19906 5765 1 15 . 1 1 50 50 ILE HA H 50 4.150 4.150 3.927 0.223 19906 5766 1 15 . 1 1 50 50 ILE CA C 50 63.310 63.310 60.848 2.462 19906 5767 1 15 . 1 1 50 50 ILE CB C 50 38.020 38.020 38.851 -0.831 19906 5768 1 15 . 1 1 50 50 ILE H H 50 8.720 8.720 7.728 0.992 19906 5769 1 15 . 1 1 51 51 PHE HA H 51 4.770 4.770 4.411 0.359 19906 5770 1 15 . 1 1 51 51 PHE CA C 51 57.900 57.900 58.273 -0.373 19906 5771 1 15 . 1 1 51 51 PHE CB C 51 41.870 41.870 39.266 2.604 19906 5772 1 15 . 1 1 52 52 GLU HA H 52 5.350 5.350 4.210 1.140 19906 5773 1 15 . 1 1 52 52 GLU CA C 52 55.140 55.140 56.091 -0.951 19906 5774 1 15 . 1 1 52 52 GLU CB C 52 32.030 32.030 31.115 0.915 19906 5775 1 15 . 1 1 53 53 ASP N N 53 122.750 122.750 118.764 3.986 19906 5776 1 15 . 1 1 53 53 ASP HA H 53 5.000 5.000 4.823 0.177 19906 5777 1 15 . 1 1 53 53 ASP CA C 53 52.950 52.950 53.213 -0.263 19906 5778 1 15 . 1 1 53 53 ASP CB C 53 44.770 44.770 44.553 0.217 19906 5779 1 15 . 1 1 53 53 ASP H H 53 8.850 8.850 7.692 1.158 19906 5780 1 15 . 1 1 54 54 PHE N N 54 121.100 121.100 119.972 1.128 19906 5781 1 15 . 1 1 54 54 PHE HA H 54 5.380 5.380 5.310 0.070 19906 5782 1 15 . 1 1 54 54 PHE CA C 54 56.180 56.180 56.623 -0.443 19906 5783 1 15 . 1 1 54 54 PHE CB C 54 42.110 42.110 40.917 1.193 19906 5784 1 15 . 1 1 54 54 PHE H H 54 8.770 8.770 8.625 0.145 19906 5785 1 15 . 1 1 55 55 VAL N N 55 125.760 125.760 123.978 1.782 19906 5786 1 15 . 1 1 55 55 VAL HA H 55 4.320 4.320 4.510 -0.190 19906 5787 1 15 . 1 1 55 55 VAL CA C 55 59.140 59.140 59.819 -0.680 19906 5788 1 15 . 1 1 55 55 VAL CB C 55 34.940 34.940 35.597 -0.657 19906 5789 1 15 . 1 1 55 55 VAL H H 55 8.290 8.290 8.213 0.077 19906 5790 1 15 . 1 1 56 56 ASP N N 56 127.100 127.100 129.024 -1.924 19906 5791 1 15 . 1 1 56 56 ASP HA H 56 4.560 4.560 4.591 -0.031 19906 5792 1 15 . 1 1 56 56 ASP CA C 56 54.980 54.980 55.113 -0.133 19906 5793 1 15 . 1 1 56 56 ASP CB C 56 42.730 42.730 41.525 1.205 19906 5794 1 15 . 1 1 56 56 ASP H H 56 8.460 8.460 8.775 -0.315 19906 5795 1 15 . 1 1 57 57 SER N N 57 119.630 119.630 118.654 0.976 19906 5796 1 15 . 1 1 57 57 SER HA H 57 4.330 4.330 4.610 -0.280 19906 5797 1 15 . 1 1 57 57 SER CA C 57 60.630 60.630 61.474 -0.844 19906 5798 1 15 . 1 1 57 57 SER CB C 57 62.680 62.680 63.393 -0.713 19906 5799 1 15 . 1 1 57 57 SER H H 57 8.260 8.260 8.792 -0.532 19906 5800 1 15 . 1 1 58 58 SER N N 58 117.030 117.030 116.008 1.022 19906 5801 1 15 . 1 1 58 58 SER HA H 58 4.400 4.400 4.318 0.082 19906 5802 1 15 . 1 1 58 58 SER CA C 58 60.430 60.430 60.882 -0.452 19906 5803 1 15 . 1 1 58 58 SER CB C 58 63.700 63.700 62.926 0.774 19906 5804 1 15 . 1 1 58 58 SER H H 58 9.080 9.080 8.468 0.612 19906 5805 1 15 . 1 1 59 59 VAL N N 59 119.350 119.350 120.069 -0.719 19906 5806 1 15 . 1 1 59 59 VAL HA H 59 3.790 3.790 3.899 -0.109 19906 5807 1 15 . 1 1 59 59 VAL CA C 59 65.670 65.670 64.377 1.293 19906 5808 1 15 . 1 1 59 59 VAL CB C 59 32.400 32.400 32.138 0.262 19906 5809 1 15 . 1 1 59 59 VAL H H 59 7.570 7.570 7.530 0.040 19906 5810 1 15 . 1 1 60 60 GLY N N 60 104.070 104.070 106.932 -2.862 19906 5811 1 15 . 1 1 60 60 GLY CA C 60 44.430 44.430 45.187 -0.756 19906 5812 1 15 . 1 1 60 60 GLY H H 60 6.120 6.120 7.802 -1.682 19906 5813 1 15 . 1 1 61 61 TYR N N 61 117.690 117.690 117.121 0.569 19906 5814 1 15 . 1 1 61 61 TYR HA H 61 5.030 5.030 4.696 0.334 19906 5815 1 15 . 1 1 61 61 TYR CA C 61 56.320 56.320 56.391 -0.071 19906 5816 1 15 . 1 1 61 61 TYR CB C 61 41.700 41.700 41.175 0.525 19906 5817 1 15 . 1 1 61 61 TYR H H 61 6.080 6.080 7.282 -1.202 19906 5818 1 15 . 1 1 62 62 TYR N N 62 126.650 126.650 124.338 2.312 19906 5819 1 15 . 1 1 62 62 TYR HA H 62 4.440 4.440 4.514 -0.074 19906 5820 1 15 . 1 1 62 62 TYR CA C 62 58.560 58.560 57.536 1.024 19906 5821 1 15 . 1 1 62 62 TYR CB C 62 43.550 43.550 43.099 0.451 19906 5822 1 15 . 1 1 62 62 TYR H H 62 8.440 8.440 7.591 0.849 19906 5823 1 15 . 1 1 63 63 THR N N 63 122.160 122.160 118.202 3.958 19906 5824 1 15 . 1 1 63 63 THR HA H 63 4.780 4.780 4.636 0.144 19906 5825 1 15 . 1 1 63 63 THR CA C 63 61.610 61.610 60.388 1.222 19906 5826 1 15 . 1 1 63 63 THR CB C 63 69.810 69.810 70.691 -0.881 19906 5827 1 15 . 1 1 63 63 THR H H 63 7.380 7.380 6.875 0.505 19906 5828 1 15 . 1 1 64 64 VAL N N 64 127.940 127.940 125.383 2.557 19906 5829 1 15 . 1 1 64 64 VAL HA H 64 3.660 3.660 4.675 -1.015 19906 5830 1 15 . 1 1 64 64 VAL CA C 64 61.840 61.840 60.286 1.554 19906 5831 1 15 . 1 1 64 64 VAL CB C 64 31.840 31.840 32.535 -0.695 19906 5832 1 15 . 1 1 64 64 VAL H H 64 8.860 8.860 8.297 0.563 19906 5833 1 15 . 1 1 65 65 THR N N 65 116.150 116.150 115.558 0.592 19906 5834 1 15 . 1 1 65 65 THR HA H 65 4.640 4.640 5.250 -0.610 19906 5835 1 15 . 1 1 65 65 THR CA C 65 59.470 59.470 59.842 -0.372 19906 5836 1 15 . 1 1 65 65 THR CB C 65 71.160 71.160 71.648 -0.488 19906 5837 1 15 . 1 1 65 65 THR H H 65 7.290 7.290 8.271 -0.981 19906 5838 1 15 . 1 1 66 66 GLY N N 66 105.560 105.560 110.453 -4.893 19906 5839 1 15 . 1 1 66 66 GLY CA C 66 45.860 45.860 44.963 0.897 19906 5840 1 15 . 1 1 66 66 GLY H H 66 8.450 8.450 8.405 0.045 19906 5841 1 15 . 1 1 67 67 LEU N N 67 119.080 119.080 120.233 -1.153 19906 5842 1 15 . 1 1 67 67 LEU HA H 67 4.180 4.180 4.511 -0.331 19906 5843 1 15 . 1 1 67 67 LEU CA C 67 53.380 53.380 52.494 0.886 19906 5844 1 15 . 1 1 67 67 LEU CB C 67 41.630 41.630 42.100 -0.470 19906 5845 1 15 . 1 1 67 67 LEU H H 67 7.850 7.850 7.487 0.363 19906 5846 1 15 . 1 1 68 68 GLU N N 68 120.030 120.030 123.310 -3.280 19906 5847 1 15 . 1 1 68 68 GLU HA H 68 4.920 4.920 4.148 0.772 19906 5848 1 15 . 1 1 68 68 GLU CA C 68 52.510 52.510 56.035 -3.525 19906 5849 1 15 . 1 1 68 68 GLU CB C 68 31.040 31.040 29.072 1.968 19906 5850 1 15 . 1 1 68 68 GLU H H 68 8.500 8.500 8.099 0.401 19906 5851 1 15 . 1 1 69 69 PRO HA H 69 4.470 4.470 4.341 0.129 19906 5852 1 15 . 1 1 69 69 PRO CA C 69 62.740 62.740 62.830 -0.090 19906 5853 1 15 . 1 1 69 69 PRO CB C 69 31.410 31.410 32.308 -0.898 19906 5854 1 15 . 1 1 70 70 GLY N N 70 106.940 106.940 109.214 -2.274 19906 5855 1 15 . 1 1 70 70 GLY CA C 70 45.830 45.830 45.991 -0.161 19906 5856 1 15 . 1 1 70 70 GLY H H 70 8.500 8.500 8.610 -0.110 19906 5857 1 15 . 1 1 71 71 ILE N N 71 120.080 120.080 118.635 1.445 19906 5858 1 15 . 1 1 71 71 ILE HA H 71 4.080 4.080 4.258 -0.178 19906 5859 1 15 . 1 1 71 71 ILE CA C 71 58.710 58.710 59.682 -0.972 19906 5860 1 15 . 1 1 71 71 ILE CB C 71 40.410 40.410 41.206 -0.797 19906 5861 1 15 . 1 1 71 71 ILE H H 71 7.510 7.510 7.158 0.352 19906 5862 1 15 . 1 1 72 72 ASP N N 72 124.920 124.920 125.957 -1.037 19906 5863 1 15 . 1 1 72 72 ASP HA H 72 4.930 4.930 4.728 0.202 19906 5864 1 15 . 1 1 72 72 ASP CA C 72 54.260 54.260 53.249 1.011 19906 5865 1 15 . 1 1 72 72 ASP CB C 72 41.120 41.120 40.756 0.364 19906 5866 1 15 . 1 1 72 72 ASP H H 72 8.190 8.190 8.505 -0.315 19906 5867 1 15 . 1 1 73 73 TYR N N 73 122.440 122.440 124.748 -2.308 19906 5868 1 15 . 1 1 73 73 TYR HA H 73 5.070 5.070 4.858 0.212 19906 5869 1 15 . 1 1 73 73 TYR CA C 73 57.390 57.390 55.913 1.477 19906 5870 1 15 . 1 1 73 73 TYR CB C 73 40.550 40.550 40.471 0.079 19906 5871 1 15 . 1 1 73 73 TYR H H 73 9.310 9.310 8.232 1.078 19906 5872 1 15 . 1 1 74 74 ASP N N 74 122.980 122.980 126.024 -3.044 19906 5873 1 15 . 1 1 74 74 ASP HA H 74 5.220 5.220 4.913 0.307 19906 5874 1 15 . 1 1 74 74 ASP CA C 74 53.900 53.900 53.746 0.154 19906 5875 1 15 . 1 1 74 74 ASP CB C 74 42.120 42.120 41.483 0.637 19906 5876 1 15 . 1 1 74 74 ASP H H 74 9.290 9.290 8.843 0.447 19906 5877 1 15 . 1 1 75 75 ILE N N 75 124.270 124.270 120.447 3.823 19906 5878 1 15 . 1 1 75 75 ILE HA H 75 5.470 5.470 4.961 0.509 19906 5879 1 15 . 1 1 75 75 ILE CA C 75 58.400 58.400 58.420 -0.020 19906 5880 1 15 . 1 1 75 75 ILE CB C 75 40.900 40.900 40.809 0.091 19906 5881 1 15 . 1 1 75 75 ILE H H 75 8.810 8.810 8.273 0.537 19906 5882 1 15 . 1 1 76 76 SER N N 76 121.300 121.300 116.058 5.242 19906 5883 1 15 . 1 1 76 76 SER HA H 76 5.800 5.800 4.735 1.065 19906 5884 1 15 . 1 1 76 76 SER CA C 76 56.340 56.340 58.269 -1.929 19906 5885 1 15 . 1 1 76 76 SER CB C 76 66.180 66.180 66.219 -0.039 19906 5886 1 15 . 1 1 76 76 SER H H 76 8.760 8.760 8.785 -0.025 19906 5887 1 15 . 1 1 77 77 VAL N N 77 124.740 124.740 123.960 0.780 19906 5888 1 15 . 1 1 77 77 VAL HA H 77 4.760 4.760 4.291 0.469 19906 5889 1 15 . 1 1 77 77 VAL CA C 77 61.190 61.190 61.202 -0.012 19906 5890 1 15 . 1 1 77 77 VAL CB C 77 33.270 33.270 32.427 0.843 19906 5891 1 15 . 1 1 77 77 VAL H H 77 9.420 9.420 8.475 0.945 19906 5892 1 15 . 1 1 78 78 ILE N N 78 126.300 126.300 129.280 -2.980 19906 5893 1 15 . 1 1 78 78 ILE HA H 78 4.710 4.710 4.246 0.464 19906 5894 1 15 . 1 1 78 78 ILE CA C 78 61.160 61.160 61.321 -0.161 19906 5895 1 15 . 1 1 78 78 ILE CB C 78 41.050 41.050 38.145 2.905 19906 5896 1 15 . 1 1 78 78 ILE H H 78 9.370 9.370 8.129 1.241 19906 5897 1 15 . 1 1 79 79 THR N N 79 122.350 122.350 120.092 2.258 19906 5898 1 15 . 1 1 79 79 THR HA H 79 4.280 4.280 4.564 -0.284 19906 5899 1 15 . 1 1 79 79 THR CA C 79 64.260 64.260 61.159 3.101 19906 5900 1 15 . 1 1 79 79 THR CB C 79 69.130 69.130 69.439 -0.309 19906 5901 1 15 . 1 1 79 79 THR H H 79 8.550 8.550 8.363 0.187 19906 5902 1 15 . 1 1 80 80 LEU N N 80 128.900 128.900 129.005 -0.105 19906 5903 1 15 . 1 1 80 80 LEU HA H 80 4.730 4.730 4.792 -0.062 19906 5904 1 15 . 1 1 80 80 LEU CA C 80 54.060 54.060 54.501 -0.441 19906 5905 1 15 . 1 1 80 80 LEU CB C 80 41.470 41.470 45.017 -3.547 19906 5906 1 15 . 1 1 80 80 LEU H H 80 8.660 8.660 8.798 -0.138 19906 5907 1 15 . 1 1 81 81 ILE N N 81 121.640 121.640 120.683 0.957 19906 5908 1 15 . 1 1 81 81 ILE HA H 81 4.870 4.870 4.398 0.472 19906 5909 1 15 . 1 1 81 81 ILE CA C 81 59.300 59.300 58.964 0.336 19906 5910 1 15 . 1 1 81 81 ILE CB C 81 40.510 40.510 40.628 -0.118 19906 5911 1 15 . 1 1 81 81 ILE H H 81 8.350 8.350 8.193 0.157 19906 5912 1 15 . 1 1 82 82 ASN N N 82 123.240 123.240 120.188 3.052 19906 5913 1 15 . 1 1 82 82 ASN HA H 82 4.640 4.640 4.549 0.091 19906 5914 1 15 . 1 1 82 82 ASN CA C 82 53.450 53.450 54.628 -1.178 19906 5915 1 15 . 1 1 82 82 ASN CB C 82 38.940 38.940 39.322 -0.382 19906 5916 1 15 . 1 1 82 82 ASN H H 82 8.820 8.820 8.656 0.164 19906 5917 1 15 . 1 1 83 83 GLY N N 83 112.680 112.680 108.006 4.674 19906 5918 1 15 . 1 1 83 83 GLY CA C 83 45.420 45.420 44.865 0.555 19906 5919 1 15 . 1 1 83 83 GLY H H 83 8.630 8.630 7.609 1.021 19906 5920 1 15 . 1 1 84 84 GLY N N 84 108.560 108.560 108.562 -0.002 19906 5921 1 15 . 1 1 84 84 GLY CA C 84 45.190 45.190 44.372 0.818 19906 5922 1 15 . 1 1 84 84 GLY H H 84 8.280 8.280 8.118 0.162 19906 5923 1 15 . 1 1 85 85 GLU N N 85 120.690 120.690 118.963 1.727 19906 5924 1 15 . 1 1 85 85 GLU HA H 85 4.320 4.320 4.417 -0.097 19906 5925 1 15 . 1 1 85 85 GLU CA C 85 56.480 56.480 56.408 0.072 19906 5926 1 15 . 1 1 85 85 GLU CB C 85 30.480 30.480 29.885 0.595 19906 5927 1 15 . 1 1 85 85 GLU H H 85 8.460 8.460 8.289 0.171 19906 5928 1 15 . 1 1 86 86 SER N N 86 116.860 116.860 117.775 -0.915 19906 5929 1 15 . 1 1 86 86 SER HA H 86 4.430 4.430 4.530 -0.100 19906 5930 1 15 . 1 1 86 86 SER CA C 86 57.920 57.920 58.387 -0.467 19906 5931 1 15 . 1 1 86 86 SER CB C 86 63.720 63.720 64.116 -0.396 19906 5932 1 15 . 1 1 86 86 SER H H 86 8.350 8.350 8.708 -0.358 19906 5933 1 15 . 1 1 87 87 ALA N N 87 126.890 126.890 123.980 2.910 19906 5934 1 15 . 1 1 87 87 ALA HA H 87 4.580 4.580 4.400 0.180 19906 5935 1 15 . 1 1 87 87 ALA CA C 87 50.450 50.450 51.227 -0.777 19906 5936 1 15 . 1 1 87 87 ALA CB C 87 18.110 18.110 18.938 -0.828 19906 5937 1 15 . 1 1 87 87 ALA H H 87 8.240 8.240 8.148 0.092 19906 5938 1 15 . 1 1 88 88 PRO HA H 88 4.470 4.470 4.506 -0.036 19906 5939 1 15 . 1 1 88 88 PRO CA C 88 62.960 62.960 62.581 0.379 19906 5940 1 15 . 1 1 88 88 PRO CB C 88 31.460 31.460 32.258 -0.798 19906 5941 1 15 . 1 1 89 89 THR N N 89 114.280 114.280 119.060 -4.780 19906 5942 1 15 . 1 1 89 89 THR HA H 89 4.340 4.340 4.446 -0.106 19906 5943 1 15 . 1 1 89 89 THR CA C 89 62.320 62.320 62.777 -0.457 19906 5944 1 15 . 1 1 89 89 THR CB C 89 69.530 69.530 69.138 0.392 19906 5945 1 15 . 1 1 89 89 THR H H 89 8.270 8.270 8.407 -0.137 19906 5946 1 15 . 1 1 90 90 THR N N 90 116.290 116.290 118.065 -1.775 19906 5947 1 15 . 1 1 90 90 THR HA H 90 4.330 4.330 4.487 -0.157 19906 5948 1 15 . 1 1 90 90 THR CA C 90 61.890 61.890 61.033 0.857 19906 5949 1 15 . 1 1 90 90 THR CB C 90 69.500 69.500 69.865 -0.365 19906 5950 1 15 . 1 1 90 90 THR H H 90 8.090 8.090 8.244 -0.154 19906 5951 1 15 . 1 1 91 91 LEU N N 91 124.660 124.660 123.733 0.927 19906 5952 1 15 . 1 1 91 91 LEU HA H 91 4.410 4.410 4.598 -0.188 19906 5953 1 15 . 1 1 91 91 LEU CA C 91 55.590 55.590 54.488 1.102 19906 5954 1 15 . 1 1 91 91 LEU CB C 91 41.600 41.600 42.728 -1.128 19906 5955 1 15 . 1 1 91 91 LEU H H 91 8.290 8.290 8.410 -0.120 19906 5956 1 15 . 1 1 92 92 THR N N 92 115.030 115.030 116.282 -1.252 19906 5957 1 15 . 1 1 92 92 THR HA H 92 4.300 4.300 4.516 -0.216 19906 5958 1 15 . 1 1 92 92 THR CA C 92 61.890 61.890 61.563 0.327 19906 5959 1 15 . 1 1 92 92 THR CB C 92 69.500 69.500 69.724 -0.224 19906 5960 1 15 . 1 1 92 92 THR H H 92 8.100 8.100 8.294 -0.194 19906 5961 1 15 . 1 1 93 93 GLN N N 93 123.200 123.200 123.776 -0.576 19906 5962 1 15 . 1 1 93 93 GLN HA H 93 4.350 4.350 4.369 -0.019 19906 5963 1 15 . 1 1 93 93 GLN CA C 93 55.720 55.720 55.626 0.094 19906 5964 1 15 . 1 1 93 93 GLN CB C 93 29.050 29.050 29.114 -0.064 19906 5965 1 15 . 1 1 93 93 GLN H H 93 8.380 8.380 8.553 -0.173 19906 5966 1 15 . 1 1 94 94 GLN N N 94 122.720 122.720 124.920 -2.200 19906 5967 1 15 . 1 1 94 94 GLN HA H 94 4.400 4.400 4.423 -0.023 19906 5968 1 15 . 1 1 94 94 GLN CA C 94 55.780 55.780 55.557 0.223 19906 5969 1 15 . 1 1 94 94 GLN CB C 94 29.100 29.100 27.761 1.339 19906 5970 1 15 . 1 1 94 94 GLN H H 94 8.480 8.480 8.648 -0.168 19906 5971 1 16 . 1 1 4 4 SER HA H 4 4.400 4.400 4.554 -0.154 19906 5972 1 16 . 1 1 4 4 SER CA C 4 58.290 58.290 57.953 0.337 19906 5973 1 16 . 1 1 4 4 SER CB C 4 63.790 63.790 62.630 1.160 19906 5974 1 16 . 1 1 5 5 GLU N N 5 121.960 121.960 126.092 -4.132 19906 5975 1 16 . 1 1 5 5 GLU HA H 5 4.410 4.410 4.484 -0.074 19906 5976 1 16 . 1 1 5 5 GLU CA C 5 55.610 55.610 55.827 -0.217 19906 5977 1 16 . 1 1 5 5 GLU CB C 5 31.950 31.950 28.754 3.196 19906 5978 1 16 . 1 1 5 5 GLU H H 5 8.450 8.450 8.246 0.204 19906 5979 1 16 . 1 1 6 6 VAL N N 6 122.170 122.170 123.063 -0.893 19906 5980 1 16 . 1 1 6 6 VAL HA H 6 4.070 4.070 4.404 -0.334 19906 5981 1 16 . 1 1 6 6 VAL CA C 6 56.380 56.380 59.402 -3.022 19906 5982 1 16 . 1 1 6 6 VAL CB C 6 29.500 29.500 31.714 -2.214 19906 5983 1 16 . 1 1 6 6 VAL H H 6 8.260 8.260 7.663 0.597 19906 5984 1 16 . 1 1 9 9 LEU N N 9 123.830 123.830 121.931 1.899 19906 5985 1 16 . 1 1 9 9 LEU HA H 9 4.490 4.490 4.896 -0.406 19906 5986 1 16 . 1 1 9 9 LEU CA C 9 54.820 54.820 54.480 0.340 19906 5987 1 16 . 1 1 9 9 LEU CB C 9 41.930 41.930 42.296 -0.366 19906 5988 1 16 . 1 1 9 9 LEU H H 9 7.770 7.770 8.292 -0.522 19906 5989 1 16 . 1 1 11 11 ASP HA H 11 4.730 4.730 4.790 -0.060 19906 5990 1 16 . 1 1 11 11 ASP CA C 11 53.060 53.060 53.417 -0.357 19906 5991 1 16 . 1 1 11 11 ASP CB C 11 38.110 38.110 41.406 -3.296 19906 5992 1 16 . 1 1 12 12 LEU N N 12 122.730 122.730 121.980 0.750 19906 5993 1 16 . 1 1 12 12 LEU HA H 12 4.660 4.660 4.251 0.409 19906 5994 1 16 . 1 1 12 12 LEU CA C 12 55.130 55.130 55.667 -0.537 19906 5995 1 16 . 1 1 12 12 LEU CB C 12 43.390 43.390 42.072 1.318 19906 5996 1 16 . 1 1 12 12 LEU H H 12 7.420 7.420 8.367 -0.947 19906 5997 1 16 . 1 1 13 13 SER N N 13 120.760 120.760 119.084 1.676 19906 5998 1 16 . 1 1 13 13 SER HA H 13 4.270 4.270 4.912 -0.642 19906 5999 1 16 . 1 1 13 13 SER CA C 13 56.880 56.880 57.565 -0.685 19906 6000 1 16 . 1 1 13 13 SER CB C 13 65.890 65.890 66.432 -0.542 19906 6001 1 16 . 1 1 13 13 SER H H 13 9.020 9.020 8.057 0.963 19906 6002 1 16 . 1 1 14 14 PHE N N 14 119.920 119.920 121.318 -1.398 19906 6003 1 16 . 1 1 14 14 PHE HA H 14 5.510 5.510 5.033 0.477 19906 6004 1 16 . 1 1 14 14 PHE CA C 14 56.760 56.760 56.696 0.064 19906 6005 1 16 . 1 1 14 14 PHE CB C 14 39.930 39.930 41.903 -1.973 19906 6006 1 16 . 1 1 14 14 PHE H H 14 8.370 8.370 8.682 -0.312 19906 6007 1 16 . 1 1 15 15 VAL N N 15 117.820 117.820 116.234 1.586 19906 6008 1 16 . 1 1 15 15 VAL HA H 15 4.680 4.680 4.575 0.105 19906 6009 1 16 . 1 1 15 15 VAL CA C 15 58.880 58.880 60.461 -1.581 19906 6010 1 16 . 1 1 15 15 VAL CB C 15 36.900 36.900 35.517 1.383 19906 6011 1 16 . 1 1 15 15 VAL H H 15 9.100 9.100 8.568 0.532 19906 6012 1 16 . 1 1 16 16 ASP N N 16 116.850 116.850 118.999 -2.149 19906 6013 1 16 . 1 1 16 16 ASP HA H 16 4.190 4.190 4.252 -0.062 19906 6014 1 16 . 1 1 16 16 ASP CA C 16 54.550 54.550 55.242 -0.692 19906 6015 1 16 . 1 1 16 16 ASP CB C 16 38.920 38.920 40.429 -1.509 19906 6016 1 16 . 1 1 16 16 ASP H H 16 8.520 8.520 8.758 -0.238 19906 6017 1 16 . 1 1 17 17 ILE N N 17 118.600 118.600 119.075 -0.475 19906 6018 1 16 . 1 1 17 17 ILE HA H 17 4.150 4.150 3.952 0.198 19906 6019 1 16 . 1 1 17 17 ILE CA C 17 63.190 63.190 63.326 -0.136 19906 6020 1 16 . 1 1 17 17 ILE CB C 17 37.770 37.770 38.184 -0.414 19906 6021 1 16 . 1 1 17 17 ILE H H 17 8.150 8.150 7.977 0.173 19906 6022 1 16 . 1 1 18 18 THR N N 18 122.160 122.160 122.682 -0.522 19906 6023 1 16 . 1 1 18 18 THR HA H 18 4.910 4.910 4.652 0.258 19906 6024 1 16 . 1 1 18 18 THR CA C 18 60.570 60.570 61.546 -0.976 19906 6025 1 16 . 1 1 18 18 THR CB C 18 70.600 70.600 70.628 -0.028 19906 6026 1 16 . 1 1 18 18 THR H H 18 8.740 8.740 7.886 0.854 19906 6027 1 16 . 1 1 19 19 ASP N N 19 115.600 115.600 120.143 -4.543 19906 6028 1 16 . 1 1 19 19 ASP HA H 19 4.480 4.480 4.661 -0.181 19906 6029 1 16 . 1 1 19 19 ASP CA C 19 54.880 54.880 55.707 -0.827 19906 6030 1 16 . 1 1 19 19 ASP CB C 19 40.430 40.430 40.728 -0.298 19906 6031 1 16 . 1 1 19 19 ASP H H 19 8.450 8.450 8.372 0.078 19906 6032 1 16 . 1 1 20 20 SER N N 20 108.500 108.500 113.941 -5.441 19906 6033 1 16 . 1 1 20 20 SER HA H 20 4.620 4.620 4.812 -0.192 19906 6034 1 16 . 1 1 20 20 SER CA C 20 57.660 57.660 57.781 -0.121 19906 6035 1 16 . 1 1 20 20 SER CB C 20 66.090 66.090 64.029 2.061 19906 6036 1 16 . 1 1 20 20 SER H H 20 8.120 8.120 7.941 0.179 19906 6037 1 16 . 1 1 21 21 SER N N 21 116.590 116.590 113.971 2.619 19906 6038 1 16 . 1 1 21 21 SER HA H 21 5.230 5.230 5.201 0.029 19906 6039 1 16 . 1 1 21 21 SER CA C 21 56.730 56.730 56.986 -0.257 19906 6040 1 16 . 1 1 21 21 SER CB C 21 66.730 66.730 64.841 1.889 19906 6041 1 16 . 1 1 21 21 SER H H 21 7.530 7.530 7.586 -0.056 19906 6042 1 16 . 1 1 22 22 ILE N N 22 113.850 113.850 116.978 -3.128 19906 6043 1 16 . 1 1 22 22 ILE HA H 22 4.490 4.490 4.778 -0.288 19906 6044 1 16 . 1 1 22 22 ILE CA C 22 60.320 60.320 59.078 1.242 19906 6045 1 16 . 1 1 22 22 ILE CB C 22 42.650 42.650 41.981 0.669 19906 6046 1 16 . 1 1 22 22 ILE H H 22 8.210 8.210 7.915 0.295 19906 6047 1 16 . 1 1 23 23 GLY N N 23 112.950 112.950 112.432 0.518 19906 6048 1 16 . 1 1 23 23 GLY CA C 23 44.110 44.110 44.158 -0.048 19906 6049 1 16 . 1 1 23 23 GLY H H 23 8.300 8.300 8.629 -0.329 19906 6050 1 16 . 1 1 24 24 LEU N N 24 123.740 123.740 126.394 -2.654 19906 6051 1 16 . 1 1 24 24 LEU HA H 24 4.820 4.820 4.170 0.650 19906 6052 1 16 . 1 1 24 24 LEU CA C 24 53.930 53.930 55.198 -1.268 19906 6053 1 16 . 1 1 24 24 LEU CB C 24 42.470 42.470 42.040 0.430 19906 6054 1 16 . 1 1 24 24 LEU H H 24 8.820 8.820 7.754 1.066 19906 6055 1 16 . 1 1 25 25 ARG N N 25 119.980 119.980 125.617 -5.637 19906 6056 1 16 . 1 1 25 25 ARG HA H 25 4.890 4.890 5.055 -0.165 19906 6057 1 16 . 1 1 25 25 ARG CA C 25 54.040 54.040 54.849 -0.809 19906 6058 1 16 . 1 1 25 25 ARG CB C 25 33.850 33.850 34.297 -0.447 19906 6059 1 16 . 1 1 25 25 ARG H H 25 8.570 8.570 7.833 0.737 19906 6060 1 16 . 1 1 26 26 TRP N N 26 122.480 122.480 125.349 -2.869 19906 6061 1 16 . 1 1 26 26 TRP HA H 26 4.840 4.840 5.106 -0.266 19906 6062 1 16 . 1 1 26 26 TRP CA C 26 56.790 56.790 56.023 0.767 19906 6063 1 16 . 1 1 26 26 TRP CB C 26 31.460 31.460 31.343 0.117 19906 6064 1 16 . 1 1 26 26 TRP H H 26 7.960 7.960 8.702 -0.742 19906 6065 1 16 . 1 1 27 27 THR N N 27 119.820 119.820 117.636 2.184 19906 6066 1 16 . 1 1 27 27 THR HA H 27 4.750 4.750 4.612 0.138 19906 6067 1 16 . 1 1 27 27 THR CA C 27 60.690 60.690 59.918 0.772 19906 6068 1 16 . 1 1 27 27 THR CB C 27 68.460 68.460 68.751 -0.291 19906 6069 1 16 . 1 1 27 27 THR H H 27 9.780 9.780 8.511 1.269 19906 6070 1 16 . 1 1 28 28 PRO HA H 28 4.470 4.470 4.458 0.012 19906 6071 1 16 . 1 1 28 28 PRO CA C 28 63.260 63.260 63.344 -0.084 19906 6072 1 16 . 1 1 28 28 PRO CB C 28 31.980 31.980 32.275 -0.295 19906 6073 1 16 . 1 1 29 29 LEU N N 29 124.220 124.220 121.676 2.544 19906 6074 1 16 . 1 1 29 29 LEU HA H 29 4.490 4.490 4.511 -0.021 19906 6075 1 16 . 1 1 29 29 LEU CA C 29 54.150 54.150 54.483 -0.334 19906 6076 1 16 . 1 1 29 29 LEU CB C 29 43.040 43.040 42.338 0.702 19906 6077 1 16 . 1 1 29 29 LEU H H 29 8.570 8.570 8.365 0.205 19906 6078 1 16 . 1 1 30 30 ASN N N 30 119.950 119.950 121.944 -1.994 19906 6079 1 16 . 1 1 30 30 ASN HA H 30 4.700 4.700 4.437 0.263 19906 6080 1 16 . 1 1 30 30 ASN CA C 30 53.570 53.570 56.010 -2.440 19906 6081 1 16 . 1 1 30 30 ASN CB C 30 38.340 38.340 38.597 -0.257 19906 6082 1 16 . 1 1 30 30 ASN H H 30 8.630 8.630 8.866 -0.236 19906 6083 1 16 . 1 1 31 31 SER N N 31 114.290 114.290 113.955 0.335 19906 6084 1 16 . 1 1 31 31 SER HA H 31 4.560 4.560 4.458 0.102 19906 6085 1 16 . 1 1 31 31 SER CA C 31 57.500 57.500 59.177 -1.677 19906 6086 1 16 . 1 1 31 31 SER CB C 31 63.480 63.480 63.322 0.158 19906 6087 1 16 . 1 1 31 31 SER H H 31 8.090 8.090 8.049 0.041 19906 6088 1 16 . 1 1 32 32 SER HA H 32 4.560 4.560 4.423 0.137 19906 6089 1 16 . 1 1 32 32 SER CA C 32 58.140 58.140 59.383 -1.243 19906 6090 1 16 . 1 1 32 32 SER CB C 32 63.730 63.730 63.866 -0.136 19906 6091 1 16 . 1 1 33 33 THR N N 33 114.160 114.160 119.330 -5.170 19906 6092 1 16 . 1 1 33 33 THR HA H 33 4.300 4.300 4.250 0.050 19906 6093 1 16 . 1 1 33 33 THR CA C 33 63.620 63.620 63.460 0.160 19906 6094 1 16 . 1 1 33 33 THR CB C 33 69.530 69.530 69.521 0.009 19906 6095 1 16 . 1 1 33 33 THR H H 33 8.000 8.000 8.216 -0.216 19906 6096 1 16 . 1 1 34 34 ILE N N 34 121.090 121.090 124.990 -3.900 19906 6097 1 16 . 1 1 34 34 ILE HA H 34 4.300 4.300 4.167 0.133 19906 6098 1 16 . 1 1 34 34 ILE CA C 34 61.920 61.920 59.935 1.985 19906 6099 1 16 . 1 1 34 34 ILE CB C 34 38.080 38.080 36.145 1.935 19906 6100 1 16 . 1 1 34 34 ILE H H 34 7.980 7.980 8.391 -0.411 19906 6101 1 16 . 1 1 35 35 ILE N N 35 126.230 126.230 119.342 6.888 19906 6102 1 16 . 1 1 35 35 ILE HA H 35 4.220 4.220 4.277 -0.057 19906 6103 1 16 . 1 1 35 35 ILE CA C 35 61.720 61.720 59.340 2.380 19906 6104 1 16 . 1 1 35 35 ILE CB C 35 38.790 38.790 41.478 -2.688 19906 6105 1 16 . 1 1 35 35 ILE H H 35 8.810 8.810 7.934 0.876 19906 6106 1 16 . 1 1 36 36 GLY CA C 36 45.520 45.520 45.880 -0.360 19906 6107 1 16 . 1 1 37 37 TYR N N 37 120.400 120.400 124.344 -3.944 19906 6108 1 16 . 1 1 37 37 TYR HA H 37 5.070 5.070 4.542 0.528 19906 6109 1 16 . 1 1 37 37 TYR CA C 37 57.930 57.930 57.163 0.767 19906 6110 1 16 . 1 1 37 37 TYR CB C 37 38.950 38.950 40.225 -1.276 19906 6111 1 16 . 1 1 37 37 TYR H H 37 7.340 7.340 7.632 -0.292 19906 6112 1 16 . 1 1 38 38 ARG HA H 38 5.150 5.150 4.659 0.491 19906 6113 1 16 . 1 1 38 38 ARG CA C 38 54.450 54.450 54.472 -0.022 19906 6114 1 16 . 1 1 38 38 ARG CB C 38 31.530 31.530 32.843 -1.313 19906 6115 1 16 . 1 1 39 39 ILE N N 39 129.570 129.570 124.905 4.665 19906 6116 1 16 . 1 1 39 39 ILE HA H 39 5.060 5.060 4.517 0.543 19906 6117 1 16 . 1 1 39 39 ILE CA C 39 60.030 60.030 60.249 -0.219 19906 6118 1 16 . 1 1 39 39 ILE CB C 39 40.780 40.780 38.348 2.432 19906 6119 1 16 . 1 1 39 39 ILE H H 39 9.040 9.040 7.986 1.054 19906 6120 1 16 . 1 1 40 40 THR N N 40 120.430 120.430 123.568 -3.138 19906 6121 1 16 . 1 1 40 40 THR HA H 40 5.210 5.210 4.575 0.635 19906 6122 1 16 . 1 1 40 40 THR CA C 40 61.130 61.130 61.668 -0.538 19906 6123 1 16 . 1 1 40 40 THR CB C 40 71.090 71.090 70.487 0.603 19906 6124 1 16 . 1 1 40 40 THR H H 40 8.880 8.880 8.058 0.822 19906 6125 1 16 . 1 1 41 41 VAL HA H 41 5.030 5.030 4.514 0.516 19906 6126 1 16 . 1 1 41 41 VAL CA C 41 61.280 61.280 60.184 1.096 19906 6127 1 16 . 1 1 41 41 VAL CB C 41 33.800 33.800 34.630 -0.830 19906 6128 1 16 . 1 1 41 41 VAL H H 41 8.820 8.820 8.468 0.352 19906 6129 1 16 . 1 1 42 42 VAL N N 42 127.670 127.670 127.320 0.350 19906 6130 1 16 . 1 1 42 42 VAL HA H 42 4.650 4.650 4.355 0.295 19906 6131 1 16 . 1 1 42 42 VAL CA C 42 60.320 60.320 60.311 0.009 19906 6132 1 16 . 1 1 42 42 VAL CB C 42 35.800 35.800 36.286 -0.486 19906 6133 1 16 . 1 1 42 42 VAL H H 42 9.100 9.100 9.158 -0.058 19906 6134 1 16 . 1 1 43 43 ALA N N 43 131.340 131.340 128.682 2.658 19906 6135 1 16 . 1 1 43 43 ALA HA H 43 4.410 4.410 4.063 0.347 19906 6136 1 16 . 1 1 43 43 ALA CA C 43 52.420 52.420 50.854 1.566 19906 6137 1 16 . 1 1 43 43 ALA CB C 43 18.750 18.750 19.812 -1.062 19906 6138 1 16 . 1 1 43 43 ALA H H 43 9.420 9.420 8.483 0.937 19906 6139 1 16 . 1 1 44 44 ALA N N 44 126.040 126.040 125.467 0.573 19906 6140 1 16 . 1 1 44 44 ALA HA H 44 4.120 4.120 4.366 -0.246 19906 6141 1 16 . 1 1 44 44 ALA CA C 44 53.790 53.790 52.771 1.019 19906 6142 1 16 . 1 1 44 44 ALA CB C 44 18.680 18.680 19.790 -1.110 19906 6143 1 16 . 1 1 44 44 ALA H H 44 8.260 8.260 7.818 0.442 19906 6144 1 16 . 1 1 45 45 GLY CA C 45 45.620 45.620 44.975 0.645 19906 6145 1 16 . 1 1 45 45 GLY H H 45 8.700 8.700 8.304 0.396 19906 6146 1 16 . 1 1 46 46 GLU N N 46 119.650 119.650 118.261 1.389 19906 6147 1 16 . 1 1 46 46 GLU HA H 46 4.470 4.470 4.397 0.073 19906 6148 1 16 . 1 1 46 46 GLU CA C 46 55.870 55.870 55.344 0.526 19906 6149 1 16 . 1 1 46 46 GLU CB C 46 30.520 30.520 31.899 -1.379 19906 6150 1 16 . 1 1 46 46 GLU H H 46 8.110 8.110 7.296 0.814 19906 6151 1 16 . 1 1 47 47 GLY N N 47 107.160 107.160 110.013 -2.853 19906 6152 1 16 . 1 1 47 47 GLY CA C 47 45.910 45.910 45.701 0.209 19906 6153 1 16 . 1 1 47 47 GLY H H 47 8.400 8.400 8.366 0.034 19906 6154 1 16 . 1 1 48 48 ILE N N 48 120.010 120.010 121.207 -1.197 19906 6155 1 16 . 1 1 48 48 ILE HA H 48 4.620 4.620 4.292 0.328 19906 6156 1 16 . 1 1 48 48 ILE CA C 48 58.500 58.500 58.481 0.019 19906 6157 1 16 . 1 1 48 48 ILE CB C 48 39.400 39.400 40.002 -0.602 19906 6158 1 16 . 1 1 48 48 ILE H H 48 7.440 7.440 7.344 0.096 19906 6159 1 16 . 1 1 49 49 PRO HA H 49 4.530 4.530 4.526 0.004 19906 6160 1 16 . 1 1 49 49 PRO CA C 49 63.590 63.590 62.278 1.312 19906 6161 1 16 . 1 1 49 49 PRO CB C 49 31.880 31.880 32.239 -0.359 19906 6162 1 16 . 1 1 50 50 ILE N N 50 122.120 122.120 119.381 2.739 19906 6163 1 16 . 1 1 50 50 ILE HA H 50 4.150 4.150 3.546 0.604 19906 6164 1 16 . 1 1 50 50 ILE CA C 50 63.310 63.310 61.227 2.083 19906 6165 1 16 . 1 1 50 50 ILE CB C 50 38.020 38.020 38.734 -0.714 19906 6166 1 16 . 1 1 50 50 ILE H H 50 8.720 8.720 7.917 0.803 19906 6167 1 16 . 1 1 51 51 PHE HA H 51 4.770 4.770 4.623 0.147 19906 6168 1 16 . 1 1 51 51 PHE CA C 51 57.900 57.900 57.261 0.639 19906 6169 1 16 . 1 1 51 51 PHE CB C 51 41.870 41.870 39.245 2.624 19906 6170 1 16 . 1 1 52 52 GLU HA H 52 5.350 5.350 4.296 1.054 19906 6171 1 16 . 1 1 52 52 GLU CA C 52 55.140 55.140 55.778 -0.638 19906 6172 1 16 . 1 1 52 52 GLU CB C 52 32.030 32.030 30.823 1.207 19906 6173 1 16 . 1 1 53 53 ASP N N 53 122.750 122.750 118.731 4.019 19906 6174 1 16 . 1 1 53 53 ASP HA H 53 5.000 5.000 4.824 0.176 19906 6175 1 16 . 1 1 53 53 ASP CA C 53 52.950 52.950 53.492 -0.542 19906 6176 1 16 . 1 1 53 53 ASP CB C 53 44.770 44.770 44.702 0.068 19906 6177 1 16 . 1 1 53 53 ASP H H 53 8.850 8.850 7.742 1.108 19906 6178 1 16 . 1 1 54 54 PHE N N 54 121.100 121.100 120.681 0.419 19906 6179 1 16 . 1 1 54 54 PHE HA H 54 5.380 5.380 5.209 0.171 19906 6180 1 16 . 1 1 54 54 PHE CA C 54 56.180 56.180 57.187 -1.007 19906 6181 1 16 . 1 1 54 54 PHE CB C 54 42.110 42.110 40.595 1.515 19906 6182 1 16 . 1 1 54 54 PHE H H 54 8.770 8.770 8.620 0.150 19906 6183 1 16 . 1 1 55 55 VAL N N 55 125.760 125.760 124.241 1.519 19906 6184 1 16 . 1 1 55 55 VAL HA H 55 4.320 4.320 4.369 -0.049 19906 6185 1 16 . 1 1 55 55 VAL CA C 55 59.140 59.140 59.725 -0.585 19906 6186 1 16 . 1 1 55 55 VAL CB C 55 34.940 34.940 36.588 -1.648 19906 6187 1 16 . 1 1 55 55 VAL H H 55 8.290 8.290 8.163 0.127 19906 6188 1 16 . 1 1 56 56 ASP N N 56 127.100 127.100 127.288 -0.188 19906 6189 1 16 . 1 1 56 56 ASP HA H 56 4.560 4.560 4.473 0.087 19906 6190 1 16 . 1 1 56 56 ASP CA C 56 54.980 54.980 55.047 -0.067 19906 6191 1 16 . 1 1 56 56 ASP CB C 56 42.730 42.730 41.447 1.283 19906 6192 1 16 . 1 1 56 56 ASP H H 56 8.460 8.460 8.510 -0.050 19906 6193 1 16 . 1 1 57 57 SER N N 57 119.630 119.630 116.963 2.667 19906 6194 1 16 . 1 1 57 57 SER HA H 57 4.330 4.330 4.342 -0.012 19906 6195 1 16 . 1 1 57 57 SER CA C 57 60.630 60.630 61.156 -0.526 19906 6196 1 16 . 1 1 57 57 SER CB C 57 62.680 62.680 63.231 -0.551 19906 6197 1 16 . 1 1 57 57 SER H H 57 8.260 8.260 8.673 -0.413 19906 6198 1 16 . 1 1 58 58 SER N N 58 117.030 117.030 115.546 1.484 19906 6199 1 16 . 1 1 58 58 SER HA H 58 4.400 4.400 4.261 0.139 19906 6200 1 16 . 1 1 58 58 SER CA C 58 60.430 60.430 60.830 -0.400 19906 6201 1 16 . 1 1 58 58 SER CB C 58 63.700 63.700 63.075 0.625 19906 6202 1 16 . 1 1 58 58 SER H H 58 9.080 9.080 8.106 0.974 19906 6203 1 16 . 1 1 59 59 VAL N N 59 119.350 119.350 122.053 -2.703 19906 6204 1 16 . 1 1 59 59 VAL HA H 59 3.790 3.790 3.573 0.217 19906 6205 1 16 . 1 1 59 59 VAL CA C 59 65.670 65.670 61.595 4.075 19906 6206 1 16 . 1 1 59 59 VAL CB C 59 32.400 32.400 29.883 2.517 19906 6207 1 16 . 1 1 59 59 VAL H H 59 7.570 7.570 7.253 0.317 19906 6208 1 16 . 1 1 60 60 GLY N N 60 104.070 104.070 115.335 -11.265 19906 6209 1 16 . 1 1 60 60 GLY CA C 60 44.430 44.430 45.432 -1.002 19906 6210 1 16 . 1 1 60 60 GLY H H 60 6.120 6.120 8.246 -2.126 19906 6211 1 16 . 1 1 61 61 TYR N N 61 117.690 117.690 113.079 4.611 19906 6212 1 16 . 1 1 61 61 TYR HA H 61 5.030 5.030 4.920 0.110 19906 6213 1 16 . 1 1 61 61 TYR CA C 61 56.320 56.320 54.481 1.839 19906 6214 1 16 . 1 1 61 61 TYR CB C 61 41.700 41.700 40.127 1.573 19906 6215 1 16 . 1 1 61 61 TYR H H 61 6.080 6.080 6.953 -0.873 19906 6216 1 16 . 1 1 62 62 TYR N N 62 126.650 126.650 121.430 5.220 19906 6217 1 16 . 1 1 62 62 TYR HA H 62 4.440 4.440 4.833 -0.393 19906 6218 1 16 . 1 1 62 62 TYR CA C 62 58.560 58.560 57.500 1.060 19906 6219 1 16 . 1 1 62 62 TYR CB C 62 43.550 43.550 43.050 0.500 19906 6220 1 16 . 1 1 62 62 TYR H H 62 8.440 8.440 8.921 -0.481 19906 6221 1 16 . 1 1 63 63 THR N N 63 122.160 122.160 119.848 2.312 19906 6222 1 16 . 1 1 63 63 THR HA H 63 4.780 4.780 4.641 0.139 19906 6223 1 16 . 1 1 63 63 THR CA C 63 61.610 61.610 61.152 0.458 19906 6224 1 16 . 1 1 63 63 THR CB C 63 69.810 69.810 69.781 0.029 19906 6225 1 16 . 1 1 63 63 THR H H 63 7.380 7.380 7.424 -0.044 19906 6226 1 16 . 1 1 64 64 VAL N N 64 127.940 127.940 123.381 4.559 19906 6227 1 16 . 1 1 64 64 VAL HA H 64 3.660 3.660 4.663 -1.003 19906 6228 1 16 . 1 1 64 64 VAL CA C 64 61.840 61.840 61.209 0.631 19906 6229 1 16 . 1 1 64 64 VAL CB C 64 31.840 31.840 32.563 -0.723 19906 6230 1 16 . 1 1 64 64 VAL H H 64 8.860 8.860 8.293 0.567 19906 6231 1 16 . 1 1 65 65 THR N N 65 116.150 116.150 116.153 -0.003 19906 6232 1 16 . 1 1 65 65 THR HA H 65 4.640 4.640 5.127 -0.487 19906 6233 1 16 . 1 1 65 65 THR CA C 65 59.470 59.470 59.378 0.092 19906 6234 1 16 . 1 1 65 65 THR CB C 65 71.160 71.160 71.088 0.072 19906 6235 1 16 . 1 1 65 65 THR H H 65 7.290 7.290 8.225 -0.935 19906 6236 1 16 . 1 1 66 66 GLY N N 66 105.560 105.560 109.272 -3.712 19906 6237 1 16 . 1 1 66 66 GLY CA C 66 45.860 45.860 44.798 1.062 19906 6238 1 16 . 1 1 66 66 GLY H H 66 8.450 8.450 8.487 -0.037 19906 6239 1 16 . 1 1 67 67 LEU N N 67 119.080 119.080 120.885 -1.805 19906 6240 1 16 . 1 1 67 67 LEU HA H 67 4.180 4.180 4.016 0.164 19906 6241 1 16 . 1 1 67 67 LEU CA C 67 53.380 53.380 52.909 0.471 19906 6242 1 16 . 1 1 67 67 LEU CB C 67 41.630 41.630 41.616 0.014 19906 6243 1 16 . 1 1 67 67 LEU H H 67 7.850 7.850 7.617 0.233 19906 6244 1 16 . 1 1 68 68 GLU N N 68 120.030 120.030 124.698 -4.668 19906 6245 1 16 . 1 1 68 68 GLU HA H 68 4.920 4.920 4.388 0.532 19906 6246 1 16 . 1 1 68 68 GLU CA C 68 52.510 52.510 54.461 -1.951 19906 6247 1 16 . 1 1 68 68 GLU CB C 68 31.040 31.040 28.966 2.074 19906 6248 1 16 . 1 1 68 68 GLU H H 68 8.500 8.500 8.478 0.022 19906 6249 1 16 . 1 1 69 69 PRO HA H 69 4.470 4.470 4.374 0.096 19906 6250 1 16 . 1 1 69 69 PRO CA C 69 62.740 62.740 63.061 -0.321 19906 6251 1 16 . 1 1 69 69 PRO CB C 69 31.410 31.410 32.287 -0.877 19906 6252 1 16 . 1 1 70 70 GLY N N 70 106.940 106.940 108.270 -1.330 19906 6253 1 16 . 1 1 70 70 GLY CA C 70 45.830 45.830 45.472 0.358 19906 6254 1 16 . 1 1 70 70 GLY H H 70 8.500 8.500 8.613 -0.113 19906 6255 1 16 . 1 1 71 71 ILE N N 71 120.080 120.080 120.793 -0.713 19906 6256 1 16 . 1 1 71 71 ILE HA H 71 4.080 4.080 4.216 -0.136 19906 6257 1 16 . 1 1 71 71 ILE CA C 71 58.710 58.710 59.972 -1.262 19906 6258 1 16 . 1 1 71 71 ILE CB C 71 40.410 40.410 40.297 0.113 19906 6259 1 16 . 1 1 71 71 ILE H H 71 7.510 7.510 7.508 0.002 19906 6260 1 16 . 1 1 72 72 ASP N N 72 124.920 124.920 127.254 -2.334 19906 6261 1 16 . 1 1 72 72 ASP HA H 72 4.930 4.930 4.625 0.305 19906 6262 1 16 . 1 1 72 72 ASP CA C 72 54.260 54.260 53.613 0.647 19906 6263 1 16 . 1 1 72 72 ASP CB C 72 41.120 41.120 41.339 -0.219 19906 6264 1 16 . 1 1 72 72 ASP H H 72 8.190 8.190 8.494 -0.304 19906 6265 1 16 . 1 1 73 73 TYR N N 73 122.440 122.440 125.076 -2.636 19906 6266 1 16 . 1 1 73 73 TYR HA H 73 5.070 5.070 4.750 0.320 19906 6267 1 16 . 1 1 73 73 TYR CA C 73 57.390 57.390 57.761 -0.371 19906 6268 1 16 . 1 1 73 73 TYR CB C 73 40.550 40.550 40.505 0.045 19906 6269 1 16 . 1 1 73 73 TYR H H 73 9.310 9.310 8.428 0.881 19906 6270 1 16 . 1 1 74 74 ASP N N 74 122.980 122.980 124.907 -1.927 19906 6271 1 16 . 1 1 74 74 ASP HA H 74 5.220 5.220 4.927 0.293 19906 6272 1 16 . 1 1 74 74 ASP CA C 74 53.900 53.900 54.109 -0.209 19906 6273 1 16 . 1 1 74 74 ASP CB C 74 42.120 42.120 41.702 0.418 19906 6274 1 16 . 1 1 74 74 ASP H H 74 9.290 9.290 9.014 0.276 19906 6275 1 16 . 1 1 75 75 ILE N N 75 124.270 124.270 120.175 4.095 19906 6276 1 16 . 1 1 75 75 ILE HA H 75 5.470 5.470 5.008 0.462 19906 6277 1 16 . 1 1 75 75 ILE CA C 75 58.400 58.400 58.289 0.111 19906 6278 1 16 . 1 1 75 75 ILE CB C 75 40.900 40.900 40.944 -0.044 19906 6279 1 16 . 1 1 75 75 ILE H H 75 8.810 8.810 8.313 0.497 19906 6280 1 16 . 1 1 76 76 SER N N 76 121.300 121.300 116.659 4.641 19906 6281 1 16 . 1 1 76 76 SER HA H 76 5.800 5.800 4.708 1.092 19906 6282 1 16 . 1 1 76 76 SER CA C 76 56.340 56.340 58.050 -1.710 19906 6283 1 16 . 1 1 76 76 SER CB C 76 66.180 66.180 65.105 1.075 19906 6284 1 16 . 1 1 76 76 SER H H 76 8.760 8.760 8.708 0.052 19906 6285 1 16 . 1 1 77 77 VAL N N 77 124.740 124.740 125.326 -0.586 19906 6286 1 16 . 1 1 77 77 VAL HA H 77 4.760 4.760 4.213 0.547 19906 6287 1 16 . 1 1 77 77 VAL CA C 77 61.190 61.190 61.620 -0.430 19906 6288 1 16 . 1 1 77 77 VAL CB C 77 33.270 33.270 31.380 1.890 19906 6289 1 16 . 1 1 77 77 VAL H H 77 9.420 9.420 8.539 0.881 19906 6290 1 16 . 1 1 78 78 ILE N N 78 126.300 126.300 128.966 -2.666 19906 6291 1 16 . 1 1 78 78 ILE HA H 78 4.710 4.710 4.224 0.486 19906 6292 1 16 . 1 1 78 78 ILE CA C 78 61.160 61.160 60.829 0.331 19906 6293 1 16 . 1 1 78 78 ILE CB C 78 41.050 41.050 38.915 2.135 19906 6294 1 16 . 1 1 78 78 ILE H H 78 9.370 9.370 8.197 1.173 19906 6295 1 16 . 1 1 79 79 THR N N 79 122.350 122.350 122.910 -0.560 19906 6296 1 16 . 1 1 79 79 THR HA H 79 4.280 4.280 4.286 -0.006 19906 6297 1 16 . 1 1 79 79 THR CA C 79 64.260 64.260 61.522 2.738 19906 6298 1 16 . 1 1 79 79 THR CB C 79 69.130 69.130 69.496 -0.366 19906 6299 1 16 . 1 1 79 79 THR H H 79 8.550 8.550 8.358 0.192 19906 6300 1 16 . 1 1 80 80 LEU N N 80 128.900 128.900 130.735 -1.835 19906 6301 1 16 . 1 1 80 80 LEU HA H 80 4.730 4.730 4.716 0.014 19906 6302 1 16 . 1 1 80 80 LEU CA C 80 54.060 54.060 54.372 -0.312 19906 6303 1 16 . 1 1 80 80 LEU CB C 80 41.470 41.470 44.418 -2.948 19906 6304 1 16 . 1 1 80 80 LEU H H 80 8.660 8.660 8.647 0.013 19906 6305 1 16 . 1 1 81 81 ILE N N 81 121.640 121.640 121.518 0.122 19906 6306 1 16 . 1 1 81 81 ILE HA H 81 4.870 4.870 4.560 0.310 19906 6307 1 16 . 1 1 81 81 ILE CA C 81 59.300 59.300 59.342 -0.042 19906 6308 1 16 . 1 1 81 81 ILE CB C 81 40.510 40.510 41.293 -0.783 19906 6309 1 16 . 1 1 81 81 ILE H H 81 8.350 8.350 7.893 0.457 19906 6310 1 16 . 1 1 82 82 ASN N N 82 123.240 123.240 120.833 2.407 19906 6311 1 16 . 1 1 82 82 ASN HA H 82 4.640 4.640 4.544 0.096 19906 6312 1 16 . 1 1 82 82 ASN CA C 82 53.450 53.450 54.967 -1.517 19906 6313 1 16 . 1 1 82 82 ASN CB C 82 38.940 38.940 39.356 -0.416 19906 6314 1 16 . 1 1 82 82 ASN H H 82 8.820 8.820 8.643 0.177 19906 6315 1 16 . 1 1 83 83 GLY N N 83 112.680 112.680 108.370 4.310 19906 6316 1 16 . 1 1 83 83 GLY CA C 83 45.420 45.420 44.386 1.034 19906 6317 1 16 . 1 1 83 83 GLY H H 83 8.630 8.630 8.242 0.388 19906 6318 1 16 . 1 1 84 84 GLY N N 84 108.560 108.560 107.394 1.166 19906 6319 1 16 . 1 1 84 84 GLY CA C 84 45.190 45.190 44.616 0.574 19906 6320 1 16 . 1 1 84 84 GLY H H 84 8.280 8.280 8.352 -0.072 19906 6321 1 16 . 1 1 85 85 GLU N N 85 120.690 120.690 120.195 0.495 19906 6322 1 16 . 1 1 85 85 GLU HA H 85 4.320 4.320 4.428 -0.108 19906 6323 1 16 . 1 1 85 85 GLU CA C 85 56.480 56.480 55.857 0.623 19906 6324 1 16 . 1 1 85 85 GLU CB C 85 30.480 30.480 30.652 -0.172 19906 6325 1 16 . 1 1 85 85 GLU H H 85 8.460 8.460 8.459 0.001 19906 6326 1 16 . 1 1 86 86 SER N N 86 116.860 116.860 117.638 -0.778 19906 6327 1 16 . 1 1 86 86 SER HA H 86 4.430 4.430 4.443 -0.013 19906 6328 1 16 . 1 1 86 86 SER CA C 86 57.920 57.920 58.711 -0.791 19906 6329 1 16 . 1 1 86 86 SER CB C 86 63.720 63.720 63.734 -0.014 19906 6330 1 16 . 1 1 86 86 SER H H 86 8.350 8.350 8.514 -0.164 19906 6331 1 16 . 1 1 87 87 ALA N N 87 126.890 126.890 126.933 -0.043 19906 6332 1 16 . 1 1 87 87 ALA HA H 87 4.580 4.580 4.630 -0.050 19906 6333 1 16 . 1 1 87 87 ALA CA C 87 50.450 50.450 50.941 -0.491 19906 6334 1 16 . 1 1 87 87 ALA CB C 87 18.110 18.110 19.944 -1.834 19906 6335 1 16 . 1 1 87 87 ALA H H 87 8.240 8.240 8.377 -0.137 19906 6336 1 16 . 1 1 88 88 PRO HA H 88 4.470 4.470 4.617 -0.147 19906 6337 1 16 . 1 1 88 88 PRO CA C 88 62.960 62.960 63.116 -0.156 19906 6338 1 16 . 1 1 88 88 PRO CB C 88 31.460 31.460 31.091 0.369 19906 6339 1 16 . 1 1 89 89 THR N N 89 114.280 114.280 119.949 -5.669 19906 6340 1 16 . 1 1 89 89 THR HA H 89 4.340 4.340 4.572 -0.232 19906 6341 1 16 . 1 1 89 89 THR CA C 89 62.320 62.320 60.943 1.377 19906 6342 1 16 . 1 1 89 89 THR CB C 89 69.530 69.530 71.042 -1.512 19906 6343 1 16 . 1 1 89 89 THR H H 89 8.270 8.270 8.121 0.149 19906 6344 1 16 . 1 1 90 90 THR N N 90 116.290 116.290 114.946 1.344 19906 6345 1 16 . 1 1 90 90 THR HA H 90 4.330 4.330 4.452 -0.122 19906 6346 1 16 . 1 1 90 90 THR CA C 90 61.890 61.890 61.267 0.623 19906 6347 1 16 . 1 1 90 90 THR CB C 90 69.500 69.500 69.452 0.048 19906 6348 1 16 . 1 1 90 90 THR H H 90 8.090 8.090 7.912 0.178 19906 6349 1 16 . 1 1 91 91 LEU N N 91 124.660 124.660 123.341 1.319 19906 6350 1 16 . 1 1 91 91 LEU HA H 91 4.410 4.410 4.385 0.025 19906 6351 1 16 . 1 1 91 91 LEU CA C 91 55.590 55.590 55.811 -0.221 19906 6352 1 16 . 1 1 91 91 LEU CB C 91 41.600 41.600 42.327 -0.727 19906 6353 1 16 . 1 1 91 91 LEU H H 91 8.290 8.290 8.227 0.063 19906 6354 1 16 . 1 1 92 92 THR N N 92 115.030 115.030 119.217 -4.187 19906 6355 1 16 . 1 1 92 92 THR HA H 92 4.300 4.300 4.423 -0.123 19906 6356 1 16 . 1 1 92 92 THR CA C 92 61.890 61.890 60.820 1.070 19906 6357 1 16 . 1 1 92 92 THR CB C 92 69.500 69.500 69.887 -0.387 19906 6358 1 16 . 1 1 92 92 THR H H 92 8.100 8.100 8.040 0.060 19906 6359 1 16 . 1 1 93 93 GLN N N 93 123.200 123.200 119.956 3.244 19906 6360 1 16 . 1 1 93 93 GLN HA H 93 4.350 4.350 4.102 0.248 19906 6361 1 16 . 1 1 93 93 GLN CA C 93 55.720 55.720 57.183 -1.463 19906 6362 1 16 . 1 1 93 93 GLN CB C 93 29.050 29.050 27.898 1.153 19906 6363 1 16 . 1 1 93 93 GLN H H 93 8.380 8.380 8.511 -0.131 19906 6364 1 16 . 1 1 94 94 GLN N N 94 122.720 122.720 123.439 -0.719 19906 6365 1 16 . 1 1 94 94 GLN HA H 94 4.400 4.400 4.579 -0.179 19906 6366 1 16 . 1 1 94 94 GLN CA C 94 55.780 55.780 55.605 0.175 19906 6367 1 16 . 1 1 94 94 GLN CB C 94 29.100 29.100 30.928 -1.828 19906 6368 1 16 . 1 1 94 94 GLN H H 94 8.480 8.480 8.451 0.029 19906 6369 1 17 . 1 1 4 4 SER HA H 4 4.400 4.400 4.402 -0.002 19906 6370 1 17 . 1 1 4 4 SER CA C 4 58.290 58.290 58.517 -0.227 19906 6371 1 17 . 1 1 4 4 SER CB C 4 63.790 63.790 64.034 -0.244 19906 6372 1 17 . 1 1 5 5 GLU N N 5 121.960 121.960 123.616 -1.656 19906 6373 1 17 . 1 1 5 5 GLU HA H 5 4.410 4.410 4.358 0.052 19906 6374 1 17 . 1 1 5 5 GLU CA C 5 55.610 55.610 55.838 -0.228 19906 6375 1 17 . 1 1 5 5 GLU CB C 5 31.950 31.950 30.243 1.707 19906 6376 1 17 . 1 1 5 5 GLU H H 5 8.450 8.450 8.357 0.094 19906 6377 1 17 . 1 1 6 6 VAL N N 6 122.170 122.170 121.696 0.474 19906 6378 1 17 . 1 1 6 6 VAL HA H 6 4.070 4.070 4.474 -0.404 19906 6379 1 17 . 1 1 6 6 VAL CA C 6 56.380 56.380 59.079 -2.699 19906 6380 1 17 . 1 1 6 6 VAL CB C 6 29.500 29.500 32.446 -2.946 19906 6381 1 17 . 1 1 6 6 VAL H H 6 8.260 8.260 8.326 -0.066 19906 6382 1 17 . 1 1 9 9 LEU N N 9 123.830 123.830 122.052 1.778 19906 6383 1 17 . 1 1 9 9 LEU HA H 9 4.490 4.490 4.495 -0.005 19906 6384 1 17 . 1 1 9 9 LEU CA C 9 54.820 54.820 54.624 0.196 19906 6385 1 17 . 1 1 9 9 LEU CB C 9 41.930 41.930 42.256 -0.326 19906 6386 1 17 . 1 1 9 9 LEU H H 9 7.770 7.770 8.136 -0.366 19906 6387 1 17 . 1 1 11 11 ASP HA H 11 4.730 4.730 4.646 0.084 19906 6388 1 17 . 1 1 11 11 ASP CA C 11 53.060 53.060 52.864 0.196 19906 6389 1 17 . 1 1 11 11 ASP CB C 11 38.110 38.110 41.198 -3.088 19906 6390 1 17 . 1 1 12 12 LEU N N 12 122.730 122.730 120.057 2.673 19906 6391 1 17 . 1 1 12 12 LEU HA H 12 4.660 4.660 4.252 0.408 19906 6392 1 17 . 1 1 12 12 LEU CA C 12 55.130 55.130 55.894 -0.764 19906 6393 1 17 . 1 1 12 12 LEU CB C 12 43.390 43.390 42.780 0.610 19906 6394 1 17 . 1 1 12 12 LEU H H 12 7.420 7.420 8.289 -0.869 19906 6395 1 17 . 1 1 13 13 SER N N 13 120.760 120.760 117.862 2.898 19906 6396 1 17 . 1 1 13 13 SER HA H 13 4.270 4.270 4.745 -0.475 19906 6397 1 17 . 1 1 13 13 SER CA C 13 56.880 56.880 57.135 -0.255 19906 6398 1 17 . 1 1 13 13 SER CB C 13 65.890 65.890 65.917 -0.027 19906 6399 1 17 . 1 1 13 13 SER H H 13 9.020 9.020 8.379 0.641 19906 6400 1 17 . 1 1 14 14 PHE N N 14 119.920 119.920 119.154 0.766 19906 6401 1 17 . 1 1 14 14 PHE HA H 14 5.510 5.510 4.876 0.634 19906 6402 1 17 . 1 1 14 14 PHE CA C 14 56.760 56.760 57.045 -0.285 19906 6403 1 17 . 1 1 14 14 PHE CB C 14 39.930 39.930 41.283 -1.353 19906 6404 1 17 . 1 1 14 14 PHE H H 14 8.370 8.370 8.522 -0.152 19906 6405 1 17 . 1 1 15 15 VAL N N 15 117.820 117.820 116.545 1.275 19906 6406 1 17 . 1 1 15 15 VAL HA H 15 4.680 4.680 4.491 0.189 19906 6407 1 17 . 1 1 15 15 VAL CA C 15 58.880 58.880 60.769 -1.889 19906 6408 1 17 . 1 1 15 15 VAL CB C 15 36.900 36.900 35.147 1.753 19906 6409 1 17 . 1 1 15 15 VAL H H 15 9.100 9.100 8.615 0.485 19906 6410 1 17 . 1 1 16 16 ASP N N 16 116.850 116.850 118.585 -1.735 19906 6411 1 17 . 1 1 16 16 ASP HA H 16 4.190 4.190 4.295 -0.105 19906 6412 1 17 . 1 1 16 16 ASP CA C 16 54.550 54.550 55.548 -0.998 19906 6413 1 17 . 1 1 16 16 ASP CB C 16 38.920 38.920 39.523 -0.604 19906 6414 1 17 . 1 1 16 16 ASP H H 16 8.520 8.520 8.832 -0.312 19906 6415 1 17 . 1 1 17 17 ILE N N 17 118.600 118.600 119.320 -0.720 19906 6416 1 17 . 1 1 17 17 ILE HA H 17 4.150 4.150 3.984 0.166 19906 6417 1 17 . 1 1 17 17 ILE CA C 17 63.190 63.190 62.918 0.272 19906 6418 1 17 . 1 1 17 17 ILE CB C 17 37.770 37.770 38.608 -0.839 19906 6419 1 17 . 1 1 17 17 ILE H H 17 8.150 8.150 8.007 0.143 19906 6420 1 17 . 1 1 18 18 THR N N 18 122.160 122.160 121.336 0.824 19906 6421 1 17 . 1 1 18 18 THR HA H 18 4.910 4.910 4.574 0.336 19906 6422 1 17 . 1 1 18 18 THR CA C 18 60.570 60.570 60.873 -0.304 19906 6423 1 17 . 1 1 18 18 THR CB C 18 70.600 70.600 70.335 0.265 19906 6424 1 17 . 1 1 18 18 THR H H 18 8.740 8.740 8.140 0.600 19906 6425 1 17 . 1 1 19 19 ASP N N 19 115.600 115.600 121.116 -5.516 19906 6426 1 17 . 1 1 19 19 ASP HA H 19 4.480 4.480 4.608 -0.128 19906 6427 1 17 . 1 1 19 19 ASP CA C 19 54.880 54.880 55.296 -0.416 19906 6428 1 17 . 1 1 19 19 ASP CB C 19 40.430 40.430 40.323 0.107 19906 6429 1 17 . 1 1 19 19 ASP H H 19 8.450 8.450 8.578 -0.128 19906 6430 1 17 . 1 1 20 20 SER N N 20 108.500 108.500 114.071 -5.571 19906 6431 1 17 . 1 1 20 20 SER HA H 20 4.620 4.620 4.793 -0.173 19906 6432 1 17 . 1 1 20 20 SER CA C 20 57.660 57.660 57.541 0.119 19906 6433 1 17 . 1 1 20 20 SER CB C 20 66.090 66.090 63.726 2.364 19906 6434 1 17 . 1 1 20 20 SER H H 20 8.120 8.120 8.024 0.096 19906 6435 1 17 . 1 1 21 21 SER N N 21 116.590 116.590 113.744 2.846 19906 6436 1 17 . 1 1 21 21 SER HA H 21 5.230 5.230 5.215 0.015 19906 6437 1 17 . 1 1 21 21 SER CA C 21 56.730 56.730 57.245 -0.515 19906 6438 1 17 . 1 1 21 21 SER CB C 21 66.730 66.730 66.130 0.600 19906 6439 1 17 . 1 1 21 21 SER H H 21 7.530 7.530 7.462 0.068 19906 6440 1 17 . 1 1 22 22 ILE N N 22 113.850 113.850 115.693 -1.843 19906 6441 1 17 . 1 1 22 22 ILE HA H 22 4.490 4.490 4.960 -0.470 19906 6442 1 17 . 1 1 22 22 ILE CA C 22 60.320 60.320 59.194 1.126 19906 6443 1 17 . 1 1 22 22 ILE CB C 22 42.650 42.650 42.331 0.319 19906 6444 1 17 . 1 1 22 22 ILE H H 22 8.210 8.210 7.921 0.289 19906 6445 1 17 . 1 1 23 23 GLY N N 23 112.950 112.950 112.156 0.794 19906 6446 1 17 . 1 1 23 23 GLY CA C 23 44.110 44.110 43.950 0.160 19906 6447 1 17 . 1 1 23 23 GLY H H 23 8.300 8.300 8.481 -0.181 19906 6448 1 17 . 1 1 24 24 LEU N N 24 123.740 123.740 126.962 -3.222 19906 6449 1 17 . 1 1 24 24 LEU HA H 24 4.820 4.820 4.273 0.547 19906 6450 1 17 . 1 1 24 24 LEU CA C 24 53.930 53.930 55.836 -1.906 19906 6451 1 17 . 1 1 24 24 LEU CB C 24 42.470 42.470 42.586 -0.116 19906 6452 1 17 . 1 1 24 24 LEU H H 24 8.820 8.820 7.870 0.950 19906 6453 1 17 . 1 1 25 25 ARG N N 25 119.980 119.980 123.626 -3.646 19906 6454 1 17 . 1 1 25 25 ARG HA H 25 4.890 4.890 4.586 0.304 19906 6455 1 17 . 1 1 25 25 ARG CA C 25 54.040 54.040 55.042 -1.002 19906 6456 1 17 . 1 1 25 25 ARG CB C 25 33.850 33.850 34.228 -0.379 19906 6457 1 17 . 1 1 25 25 ARG H H 25 8.570 8.570 8.203 0.367 19906 6458 1 17 . 1 1 26 26 TRP N N 26 122.480 122.480 124.075 -1.595 19906 6459 1 17 . 1 1 26 26 TRP HA H 26 4.840 4.840 5.060 -0.220 19906 6460 1 17 . 1 1 26 26 TRP CA C 26 56.790 56.790 56.166 0.624 19906 6461 1 17 . 1 1 26 26 TRP CB C 26 31.460 31.460 31.090 0.370 19906 6462 1 17 . 1 1 26 26 TRP H H 26 7.960 7.960 7.433 0.527 19906 6463 1 17 . 1 1 27 27 THR N N 27 119.820 119.820 118.866 0.954 19906 6464 1 17 . 1 1 27 27 THR HA H 27 4.750 4.750 4.710 0.040 19906 6465 1 17 . 1 1 27 27 THR CA C 27 60.690 60.690 59.490 1.200 19906 6466 1 17 . 1 1 27 27 THR CB C 27 68.460 68.460 69.183 -0.724 19906 6467 1 17 . 1 1 27 27 THR H H 27 9.780 9.780 8.470 1.310 19906 6468 1 17 . 1 1 28 28 PRO HA H 28 4.470 4.470 4.473 -0.003 19906 6469 1 17 . 1 1 28 28 PRO CA C 28 63.260 63.260 63.219 0.041 19906 6470 1 17 . 1 1 28 28 PRO CB C 28 31.980 31.980 32.312 -0.332 19906 6471 1 17 . 1 1 29 29 LEU N N 29 124.220 124.220 122.254 1.966 19906 6472 1 17 . 1 1 29 29 LEU HA H 29 4.490 4.490 4.494 -0.004 19906 6473 1 17 . 1 1 29 29 LEU CA C 29 54.150 54.150 54.536 -0.386 19906 6474 1 17 . 1 1 29 29 LEU CB C 29 43.040 43.040 42.436 0.604 19906 6475 1 17 . 1 1 29 29 LEU H H 29 8.570 8.570 8.365 0.205 19906 6476 1 17 . 1 1 30 30 ASN N N 30 119.950 119.950 120.960 -1.010 19906 6477 1 17 . 1 1 30 30 ASN HA H 30 4.700 4.700 4.406 0.294 19906 6478 1 17 . 1 1 30 30 ASN CA C 30 53.570 53.570 55.453 -1.883 19906 6479 1 17 . 1 1 30 30 ASN CB C 30 38.340 38.340 38.432 -0.092 19906 6480 1 17 . 1 1 30 30 ASN H H 30 8.630 8.630 8.936 -0.306 19906 6481 1 17 . 1 1 31 31 SER N N 31 114.290 114.290 114.124 0.166 19906 6482 1 17 . 1 1 31 31 SER HA H 31 4.560 4.560 4.417 0.143 19906 6483 1 17 . 1 1 31 31 SER CA C 31 57.500 57.500 59.432 -1.932 19906 6484 1 17 . 1 1 31 31 SER CB C 31 63.480 63.480 63.573 -0.093 19906 6485 1 17 . 1 1 31 31 SER H H 31 8.090 8.090 8.411 -0.321 19906 6486 1 17 . 1 1 32 32 SER HA H 32 4.560 4.560 4.457 0.103 19906 6487 1 17 . 1 1 32 32 SER CA C 32 58.140 58.140 59.331 -1.191 19906 6488 1 17 . 1 1 32 32 SER CB C 32 63.730 63.730 63.725 0.005 19906 6489 1 17 . 1 1 33 33 THR N N 33 114.160 114.160 118.929 -4.769 19906 6490 1 17 . 1 1 33 33 THR HA H 33 4.300 4.300 4.239 0.061 19906 6491 1 17 . 1 1 33 33 THR CA C 33 63.620 63.620 63.309 0.311 19906 6492 1 17 . 1 1 33 33 THR CB C 33 69.530 69.530 69.526 0.004 19906 6493 1 17 . 1 1 33 33 THR H H 33 8.000 8.000 8.195 -0.195 19906 6494 1 17 . 1 1 34 34 ILE N N 34 121.090 121.090 124.907 -3.817 19906 6495 1 17 . 1 1 34 34 ILE HA H 34 4.300 4.300 4.264 0.036 19906 6496 1 17 . 1 1 34 34 ILE CA C 34 61.920 61.920 59.572 2.348 19906 6497 1 17 . 1 1 34 34 ILE CB C 34 38.080 38.080 35.457 2.623 19906 6498 1 17 . 1 1 34 34 ILE H H 34 7.980 7.980 8.445 -0.465 19906 6499 1 17 . 1 1 35 35 ILE N N 35 126.230 126.230 119.999 6.231 19906 6500 1 17 . 1 1 35 35 ILE HA H 35 4.220 4.220 4.348 -0.128 19906 6501 1 17 . 1 1 35 35 ILE CA C 35 61.720 61.720 59.357 2.363 19906 6502 1 17 . 1 1 35 35 ILE CB C 35 38.790 38.790 41.508 -2.718 19906 6503 1 17 . 1 1 35 35 ILE H H 35 8.810 8.810 7.418 1.392 19906 6504 1 17 . 1 1 36 36 GLY CA C 36 45.520 45.520 46.042 -0.522 19906 6505 1 17 . 1 1 37 37 TYR N N 37 120.400 120.400 125.142 -4.742 19906 6506 1 17 . 1 1 37 37 TYR HA H 37 5.070 5.070 4.425 0.645 19906 6507 1 17 . 1 1 37 37 TYR CA C 37 57.930 57.930 58.488 -0.558 19906 6508 1 17 . 1 1 37 37 TYR CB C 37 38.950 38.950 40.248 -1.298 19906 6509 1 17 . 1 1 37 37 TYR H H 37 7.340 7.340 7.950 -0.610 19906 6510 1 17 . 1 1 38 38 ARG HA H 38 5.150 5.150 4.746 0.404 19906 6511 1 17 . 1 1 38 38 ARG CA C 38 54.450 54.450 54.596 -0.146 19906 6512 1 17 . 1 1 38 38 ARG CB C 38 31.530 31.530 33.126 -1.596 19906 6513 1 17 . 1 1 39 39 ILE N N 39 129.570 129.570 122.898 6.672 19906 6514 1 17 . 1 1 39 39 ILE HA H 39 5.060 5.060 4.460 0.600 19906 6515 1 17 . 1 1 39 39 ILE CA C 39 60.030 60.030 59.954 0.076 19906 6516 1 17 . 1 1 39 39 ILE CB C 39 40.780 40.780 39.257 1.523 19906 6517 1 17 . 1 1 39 39 ILE H H 39 9.040 9.040 7.892 1.148 19906 6518 1 17 . 1 1 40 40 THR N N 40 120.430 120.430 118.489 1.941 19906 6519 1 17 . 1 1 40 40 THR HA H 40 5.210 5.210 4.602 0.608 19906 6520 1 17 . 1 1 40 40 THR CA C 40 61.130 61.130 61.592 -0.462 19906 6521 1 17 . 1 1 40 40 THR CB C 40 71.090 71.090 71.631 -0.541 19906 6522 1 17 . 1 1 40 40 THR H H 40 8.880 8.880 7.938 0.942 19906 6523 1 17 . 1 1 41 41 VAL HA H 41 5.030 5.030 4.558 0.472 19906 6524 1 17 . 1 1 41 41 VAL CA C 41 61.280 61.280 60.154 1.126 19906 6525 1 17 . 1 1 41 41 VAL CB C 41 33.800 33.800 34.592 -0.792 19906 6526 1 17 . 1 1 41 41 VAL H H 41 8.820 8.820 8.521 0.299 19906 6527 1 17 . 1 1 42 42 VAL N N 42 127.670 127.670 127.509 0.161 19906 6528 1 17 . 1 1 42 42 VAL HA H 42 4.650 4.650 4.357 0.293 19906 6529 1 17 . 1 1 42 42 VAL CA C 42 60.320 60.320 60.234 0.085 19906 6530 1 17 . 1 1 42 42 VAL CB C 42 35.800 35.800 35.926 -0.126 19906 6531 1 17 . 1 1 42 42 VAL H H 42 9.100 9.100 9.262 -0.162 19906 6532 1 17 . 1 1 43 43 ALA N N 43 131.340 131.340 129.262 2.078 19906 6533 1 17 . 1 1 43 43 ALA HA H 43 4.410 4.410 3.827 0.583 19906 6534 1 17 . 1 1 43 43 ALA CA C 43 52.420 52.420 50.938 1.482 19906 6535 1 17 . 1 1 43 43 ALA CB C 43 18.750 18.750 19.572 -0.822 19906 6536 1 17 . 1 1 43 43 ALA H H 43 9.420 9.420 8.556 0.864 19906 6537 1 17 . 1 1 44 44 ALA N N 44 126.040 126.040 125.760 0.280 19906 6538 1 17 . 1 1 44 44 ALA HA H 44 4.120 4.120 4.343 -0.223 19906 6539 1 17 . 1 1 44 44 ALA CA C 44 53.790 53.790 52.800 0.990 19906 6540 1 17 . 1 1 44 44 ALA CB C 44 18.680 18.680 19.616 -0.936 19906 6541 1 17 . 1 1 44 44 ALA H H 44 8.260 8.260 7.923 0.337 19906 6542 1 17 . 1 1 45 45 GLY CA C 45 45.620 45.620 44.905 0.715 19906 6543 1 17 . 1 1 45 45 GLY H H 45 8.700 8.700 8.307 0.393 19906 6544 1 17 . 1 1 46 46 GLU N N 46 119.650 119.650 118.620 1.030 19906 6545 1 17 . 1 1 46 46 GLU HA H 46 4.470 4.470 4.429 0.041 19906 6546 1 17 . 1 1 46 46 GLU CA C 46 55.870 55.870 55.198 0.672 19906 6547 1 17 . 1 1 46 46 GLU CB C 46 30.520 30.520 31.778 -1.258 19906 6548 1 17 . 1 1 46 46 GLU H H 46 8.110 8.110 7.326 0.784 19906 6549 1 17 . 1 1 47 47 GLY N N 47 107.160 107.160 109.843 -2.683 19906 6550 1 17 . 1 1 47 47 GLY CA C 47 45.910 45.910 45.812 0.098 19906 6551 1 17 . 1 1 47 47 GLY H H 47 8.400 8.400 8.664 -0.264 19906 6552 1 17 . 1 1 48 48 ILE N N 48 120.010 120.010 121.063 -1.053 19906 6553 1 17 . 1 1 48 48 ILE HA H 48 4.620 4.620 4.324 0.296 19906 6554 1 17 . 1 1 48 48 ILE CA C 48 58.500 58.500 57.983 0.516 19906 6555 1 17 . 1 1 48 48 ILE CB C 48 39.400 39.400 41.329 -1.929 19906 6556 1 17 . 1 1 48 48 ILE H H 48 7.440 7.440 7.431 0.009 19906 6557 1 17 . 1 1 49 49 PRO HA H 49 4.530 4.530 4.509 0.021 19906 6558 1 17 . 1 1 49 49 PRO CA C 49 63.590 63.590 62.213 1.377 19906 6559 1 17 . 1 1 49 49 PRO CB C 49 31.880 31.880 32.188 -0.308 19906 6560 1 17 . 1 1 50 50 ILE N N 50 122.120 122.120 119.633 2.487 19906 6561 1 17 . 1 1 50 50 ILE HA H 50 4.150 4.150 3.958 0.192 19906 6562 1 17 . 1 1 50 50 ILE CA C 50 63.310 63.310 61.616 1.694 19906 6563 1 17 . 1 1 50 50 ILE CB C 50 38.020 38.020 38.728 -0.708 19906 6564 1 17 . 1 1 50 50 ILE H H 50 8.720 8.720 7.973 0.747 19906 6565 1 17 . 1 1 51 51 PHE HA H 51 4.770 4.770 4.529 0.241 19906 6566 1 17 . 1 1 51 51 PHE CA C 51 57.900 57.900 57.843 0.057 19906 6567 1 17 . 1 1 51 51 PHE CB C 51 41.870 41.870 39.629 2.241 19906 6568 1 17 . 1 1 52 52 GLU HA H 52 5.350 5.350 4.170 1.180 19906 6569 1 17 . 1 1 52 52 GLU CA C 52 55.140 55.140 55.435 -0.295 19906 6570 1 17 . 1 1 52 52 GLU CB C 52 32.030 32.030 30.533 1.497 19906 6571 1 17 . 1 1 53 53 ASP N N 53 122.750 122.750 121.493 1.257 19906 6572 1 17 . 1 1 53 53 ASP HA H 53 5.000 5.000 4.849 0.151 19906 6573 1 17 . 1 1 53 53 ASP CA C 53 52.950 52.950 53.161 -0.211 19906 6574 1 17 . 1 1 53 53 ASP CB C 53 44.770 44.770 44.543 0.227 19906 6575 1 17 . 1 1 53 53 ASP H H 53 8.850 8.850 7.970 0.880 19906 6576 1 17 . 1 1 54 54 PHE N N 54 121.100 121.100 118.396 2.704 19906 6577 1 17 . 1 1 54 54 PHE HA H 54 5.380 5.380 5.098 0.282 19906 6578 1 17 . 1 1 54 54 PHE CA C 54 56.180 56.180 56.531 -0.351 19906 6579 1 17 . 1 1 54 54 PHE CB C 54 42.110 42.110 40.992 1.118 19906 6580 1 17 . 1 1 54 54 PHE H H 54 8.770 8.770 8.618 0.152 19906 6581 1 17 . 1 1 55 55 VAL N N 55 125.760 125.760 123.076 2.684 19906 6582 1 17 . 1 1 55 55 VAL HA H 55 4.320 4.320 4.432 -0.112 19906 6583 1 17 . 1 1 55 55 VAL CA C 55 59.140 59.140 59.803 -0.663 19906 6584 1 17 . 1 1 55 55 VAL CB C 55 34.940 34.940 36.568 -1.628 19906 6585 1 17 . 1 1 55 55 VAL H H 55 8.290 8.290 8.208 0.082 19906 6586 1 17 . 1 1 56 56 ASP N N 56 127.100 127.100 128.096 -0.996 19906 6587 1 17 . 1 1 56 56 ASP HA H 56 4.560 4.560 4.618 -0.058 19906 6588 1 17 . 1 1 56 56 ASP CA C 56 54.980 54.980 54.725 0.255 19906 6589 1 17 . 1 1 56 56 ASP CB C 56 42.730 42.730 41.548 1.182 19906 6590 1 17 . 1 1 56 56 ASP H H 56 8.460 8.460 8.591 -0.131 19906 6591 1 17 . 1 1 57 57 SER N N 57 119.630 119.630 117.864 1.766 19906 6592 1 17 . 1 1 57 57 SER HA H 57 4.330 4.330 4.622 -0.292 19906 6593 1 17 . 1 1 57 57 SER CA C 57 60.630 60.630 61.329 -0.699 19906 6594 1 17 . 1 1 57 57 SER CB C 57 62.680 62.680 63.547 -0.867 19906 6595 1 17 . 1 1 57 57 SER H H 57 8.260 8.260 8.803 -0.543 19906 6596 1 17 . 1 1 58 58 SER N N 58 117.030 117.030 114.830 2.200 19906 6597 1 17 . 1 1 58 58 SER HA H 58 4.400 4.400 4.294 0.106 19906 6598 1 17 . 1 1 58 58 SER CA C 58 60.430 60.430 60.806 -0.376 19906 6599 1 17 . 1 1 58 58 SER CB C 58 63.700 63.700 63.009 0.691 19906 6600 1 17 . 1 1 58 58 SER H H 58 9.080 9.080 8.074 1.006 19906 6601 1 17 . 1 1 59 59 VAL N N 59 119.350 119.350 119.567 -0.217 19906 6602 1 17 . 1 1 59 59 VAL HA H 59 3.790 3.790 3.899 -0.109 19906 6603 1 17 . 1 1 59 59 VAL CA C 59 65.670 65.670 63.630 2.039 19906 6604 1 17 . 1 1 59 59 VAL CB C 59 32.400 32.400 31.978 0.422 19906 6605 1 17 . 1 1 59 59 VAL H H 59 7.570 7.570 7.392 0.178 19906 6606 1 17 . 1 1 60 60 GLY N N 60 104.070 104.070 104.761 -0.691 19906 6607 1 17 . 1 1 60 60 GLY CA C 60 44.430 44.430 45.402 -0.972 19906 6608 1 17 . 1 1 60 60 GLY H H 60 6.120 6.120 7.637 -1.517 19906 6609 1 17 . 1 1 61 61 TYR N N 61 117.690 117.690 117.367 0.323 19906 6610 1 17 . 1 1 61 61 TYR HA H 61 5.030 5.030 4.579 0.451 19906 6611 1 17 . 1 1 61 61 TYR CA C 61 56.320 56.320 56.375 -0.055 19906 6612 1 17 . 1 1 61 61 TYR CB C 61 41.700 41.700 41.112 0.588 19906 6613 1 17 . 1 1 61 61 TYR H H 61 6.080 6.080 7.248 -1.168 19906 6614 1 17 . 1 1 62 62 TYR N N 62 126.650 126.650 124.438 2.212 19906 6615 1 17 . 1 1 62 62 TYR HA H 62 4.440 4.440 4.389 0.051 19906 6616 1 17 . 1 1 62 62 TYR CA C 62 58.560 58.560 57.466 1.094 19906 6617 1 17 . 1 1 62 62 TYR CB C 62 43.550 43.550 43.151 0.398 19906 6618 1 17 . 1 1 62 62 TYR H H 62 8.440 8.440 7.659 0.781 19906 6619 1 17 . 1 1 63 63 THR N N 63 122.160 122.160 117.717 4.443 19906 6620 1 17 . 1 1 63 63 THR HA H 63 4.780 4.780 4.775 0.005 19906 6621 1 17 . 1 1 63 63 THR CA C 63 61.610 61.610 60.565 1.045 19906 6622 1 17 . 1 1 63 63 THR CB C 63 69.810 69.810 70.548 -0.738 19906 6623 1 17 . 1 1 63 63 THR H H 63 7.380 7.380 6.920 0.460 19906 6624 1 17 . 1 1 64 64 VAL N N 64 127.940 127.940 122.871 5.069 19906 6625 1 17 . 1 1 64 64 VAL HA H 64 3.660 3.660 4.643 -0.983 19906 6626 1 17 . 1 1 64 64 VAL CA C 64 61.840 61.840 60.757 1.083 19906 6627 1 17 . 1 1 64 64 VAL CB C 64 31.840 31.840 32.510 -0.670 19906 6628 1 17 . 1 1 64 64 VAL H H 64 8.860 8.860 8.208 0.652 19906 6629 1 17 . 1 1 65 65 THR N N 65 116.150 116.150 116.807 -0.657 19906 6630 1 17 . 1 1 65 65 THR HA H 65 4.640 4.640 4.965 -0.325 19906 6631 1 17 . 1 1 65 65 THR CA C 65 59.470 59.470 59.818 -0.348 19906 6632 1 17 . 1 1 65 65 THR CB C 65 71.160 71.160 70.744 0.416 19906 6633 1 17 . 1 1 65 65 THR H H 65 7.290 7.290 8.257 -0.967 19906 6634 1 17 . 1 1 66 66 GLY N N 66 105.560 105.560 109.922 -4.362 19906 6635 1 17 . 1 1 66 66 GLY CA C 66 45.860 45.860 44.873 0.987 19906 6636 1 17 . 1 1 66 66 GLY H H 66 8.450 8.450 8.421 0.029 19906 6637 1 17 . 1 1 67 67 LEU N N 67 119.080 119.080 120.898 -1.818 19906 6638 1 17 . 1 1 67 67 LEU HA H 67 4.180 4.180 4.014 0.166 19906 6639 1 17 . 1 1 67 67 LEU CA C 67 53.380 53.380 52.833 0.547 19906 6640 1 17 . 1 1 67 67 LEU CB C 67 41.630 41.630 41.515 0.115 19906 6641 1 17 . 1 1 67 67 LEU H H 67 7.850 7.850 7.555 0.295 19906 6642 1 17 . 1 1 68 68 GLU N N 68 120.030 120.030 124.502 -4.472 19906 6643 1 17 . 1 1 68 68 GLU HA H 68 4.920 4.920 4.292 0.628 19906 6644 1 17 . 1 1 68 68 GLU CA C 68 52.510 52.510 55.139 -2.629 19906 6645 1 17 . 1 1 68 68 GLU CB C 68 31.040 31.040 29.018 2.022 19906 6646 1 17 . 1 1 68 68 GLU H H 68 8.500 8.500 8.355 0.145 19906 6647 1 17 . 1 1 69 69 PRO HA H 69 4.470 4.470 4.422 0.048 19906 6648 1 17 . 1 1 69 69 PRO CA C 69 62.740 62.740 63.090 -0.350 19906 6649 1 17 . 1 1 69 69 PRO CB C 69 31.410 31.410 32.249 -0.839 19906 6650 1 17 . 1 1 70 70 GLY N N 70 106.940 106.940 109.000 -2.060 19906 6651 1 17 . 1 1 70 70 GLY CA C 70 45.830 45.830 45.624 0.206 19906 6652 1 17 . 1 1 70 70 GLY H H 70 8.500 8.500 8.810 -0.310 19906 6653 1 17 . 1 1 71 71 ILE N N 71 120.080 120.080 120.935 -0.855 19906 6654 1 17 . 1 1 71 71 ILE HA H 71 4.080 4.080 4.229 -0.149 19906 6655 1 17 . 1 1 71 71 ILE CA C 71 58.710 58.710 59.957 -1.247 19906 6656 1 17 . 1 1 71 71 ILE CB C 71 40.410 40.410 40.208 0.202 19906 6657 1 17 . 1 1 71 71 ILE H H 71 7.510 7.510 7.498 0.012 19906 6658 1 17 . 1 1 72 72 ASP N N 72 124.920 124.920 127.473 -2.553 19906 6659 1 17 . 1 1 72 72 ASP HA H 72 4.930 4.930 4.605 0.325 19906 6660 1 17 . 1 1 72 72 ASP CA C 72 54.260 54.260 53.822 0.438 19906 6661 1 17 . 1 1 72 72 ASP CB C 72 41.120 41.120 41.249 -0.129 19906 6662 1 17 . 1 1 72 72 ASP H H 72 8.190 8.190 8.526 -0.336 19906 6663 1 17 . 1 1 73 73 TYR N N 73 122.440 122.440 125.350 -2.910 19906 6664 1 17 . 1 1 73 73 TYR HA H 73 5.070 5.070 4.788 0.282 19906 6665 1 17 . 1 1 73 73 TYR CA C 73 57.390 57.390 57.727 -0.337 19906 6666 1 17 . 1 1 73 73 TYR CB C 73 40.550 40.550 40.633 -0.083 19906 6667 1 17 . 1 1 73 73 TYR H H 73 9.310 9.310 8.394 0.916 19906 6668 1 17 . 1 1 74 74 ASP N N 74 122.980 122.980 126.274 -3.294 19906 6669 1 17 . 1 1 74 74 ASP HA H 74 5.220 5.220 4.967 0.253 19906 6670 1 17 . 1 1 74 74 ASP CA C 74 53.900 53.900 54.301 -0.401 19906 6671 1 17 . 1 1 74 74 ASP CB C 74 42.120 42.120 41.809 0.311 19906 6672 1 17 . 1 1 74 74 ASP H H 74 9.290 9.290 9.034 0.256 19906 6673 1 17 . 1 1 75 75 ILE N N 75 124.270 124.270 119.823 4.447 19906 6674 1 17 . 1 1 75 75 ILE HA H 75 5.470 5.470 5.020 0.450 19906 6675 1 17 . 1 1 75 75 ILE CA C 75 58.400 58.400 58.340 0.060 19906 6676 1 17 . 1 1 75 75 ILE CB C 75 40.900 40.900 40.895 0.005 19906 6677 1 17 . 1 1 75 75 ILE H H 75 8.810 8.810 8.428 0.382 19906 6678 1 17 . 1 1 76 76 SER N N 76 121.300 121.300 116.211 5.089 19906 6679 1 17 . 1 1 76 76 SER HA H 76 5.800 5.800 4.734 1.066 19906 6680 1 17 . 1 1 76 76 SER CA C 76 56.340 56.340 58.037 -1.697 19906 6681 1 17 . 1 1 76 76 SER CB C 76 66.180 66.180 64.760 1.420 19906 6682 1 17 . 1 1 76 76 SER H H 76 8.760 8.760 8.451 0.309 19906 6683 1 17 . 1 1 77 77 VAL N N 77 124.740 124.740 123.901 0.839 19906 6684 1 17 . 1 1 77 77 VAL HA H 77 4.760 4.760 4.214 0.546 19906 6685 1 17 . 1 1 77 77 VAL CA C 77 61.190 61.190 61.686 -0.496 19906 6686 1 17 . 1 1 77 77 VAL CB C 77 33.270 33.270 31.915 1.355 19906 6687 1 17 . 1 1 77 77 VAL H H 77 9.420 9.420 8.361 1.059 19906 6688 1 17 . 1 1 78 78 ILE N N 78 126.300 126.300 128.785 -2.485 19906 6689 1 17 . 1 1 78 78 ILE HA H 78 4.710 4.710 4.273 0.437 19906 6690 1 17 . 1 1 78 78 ILE CA C 78 61.160 61.160 61.243 -0.083 19906 6691 1 17 . 1 1 78 78 ILE CB C 78 41.050 41.050 38.416 2.634 19906 6692 1 17 . 1 1 78 78 ILE H H 78 9.370 9.370 8.201 1.169 19906 6693 1 17 . 1 1 79 79 THR N N 79 122.350 122.350 123.355 -1.005 19906 6694 1 17 . 1 1 79 79 THR HA H 79 4.280 4.280 4.563 -0.283 19906 6695 1 17 . 1 1 79 79 THR CA C 79 64.260 64.260 61.802 2.458 19906 6696 1 17 . 1 1 79 79 THR CB C 79 69.130 69.130 69.411 -0.281 19906 6697 1 17 . 1 1 79 79 THR H H 79 8.550 8.550 8.432 0.118 19906 6698 1 17 . 1 1 80 80 LEU N N 80 128.900 128.900 129.769 -0.869 19906 6699 1 17 . 1 1 80 80 LEU HA H 80 4.730 4.730 4.683 0.047 19906 6700 1 17 . 1 1 80 80 LEU CA C 80 54.060 54.060 54.206 -0.146 19906 6701 1 17 . 1 1 80 80 LEU CB C 80 41.470 41.470 43.409 -1.939 19906 6702 1 17 . 1 1 80 80 LEU H H 80 8.660 8.660 8.862 -0.202 19906 6703 1 17 . 1 1 81 81 ILE N N 81 121.640 121.640 118.593 3.047 19906 6704 1 17 . 1 1 81 81 ILE HA H 81 4.870 4.870 4.449 0.421 19906 6705 1 17 . 1 1 81 81 ILE CA C 81 59.300 59.300 59.689 -0.389 19906 6706 1 17 . 1 1 81 81 ILE CB C 81 40.510 40.510 41.383 -0.873 19906 6707 1 17 . 1 1 81 81 ILE H H 81 8.350 8.350 7.976 0.374 19906 6708 1 17 . 1 1 82 82 ASN N N 82 123.240 123.240 120.992 2.248 19906 6709 1 17 . 1 1 82 82 ASN HA H 82 4.640 4.640 4.519 0.121 19906 6710 1 17 . 1 1 82 82 ASN CA C 82 53.450 53.450 55.285 -1.835 19906 6711 1 17 . 1 1 82 82 ASN CB C 82 38.940 38.940 39.492 -0.552 19906 6712 1 17 . 1 1 82 82 ASN H H 82 8.820 8.820 8.720 0.100 19906 6713 1 17 . 1 1 83 83 GLY N N 83 112.680 112.680 108.524 4.156 19906 6714 1 17 . 1 1 83 83 GLY CA C 83 45.420 45.420 44.730 0.690 19906 6715 1 17 . 1 1 83 83 GLY H H 83 8.630 8.630 8.567 0.063 19906 6716 1 17 . 1 1 84 84 GLY N N 84 108.560 108.560 111.574 -3.014 19906 6717 1 17 . 1 1 84 84 GLY CA C 84 45.190 45.190 44.587 0.604 19906 6718 1 17 . 1 1 84 84 GLY H H 84 8.280 8.280 8.325 -0.045 19906 6719 1 17 . 1 1 85 85 GLU N N 85 120.690 120.690 122.271 -1.581 19906 6720 1 17 . 1 1 85 85 GLU HA H 85 4.320 4.320 4.128 0.192 19906 6721 1 17 . 1 1 85 85 GLU CA C 85 56.480 56.480 56.717 -0.237 19906 6722 1 17 . 1 1 85 85 GLU CB C 85 30.480 30.480 29.894 0.586 19906 6723 1 17 . 1 1 85 85 GLU H H 85 8.460 8.460 8.426 0.034 19906 6724 1 17 . 1 1 86 86 SER N N 86 116.860 116.860 120.449 -3.589 19906 6725 1 17 . 1 1 86 86 SER HA H 86 4.430 4.430 4.392 0.038 19906 6726 1 17 . 1 1 86 86 SER CA C 86 57.920 57.920 58.312 -0.392 19906 6727 1 17 . 1 1 86 86 SER CB C 86 63.720 63.720 63.685 0.035 19906 6728 1 17 . 1 1 86 86 SER H H 86 8.350 8.350 8.548 -0.198 19906 6729 1 17 . 1 1 87 87 ALA N N 87 126.890 126.890 127.631 -0.741 19906 6730 1 17 . 1 1 87 87 ALA HA H 87 4.580 4.580 4.266 0.314 19906 6731 1 17 . 1 1 87 87 ALA CA C 87 50.450 50.450 51.715 -1.265 19906 6732 1 17 . 1 1 87 87 ALA CB C 87 18.110 18.110 17.788 0.322 19906 6733 1 17 . 1 1 87 87 ALA H H 87 8.240 8.240 8.215 0.025 19906 6734 1 17 . 1 1 88 88 PRO HA H 88 4.470 4.470 4.499 -0.029 19906 6735 1 17 . 1 1 88 88 PRO CA C 88 62.960 62.960 62.757 0.203 19906 6736 1 17 . 1 1 88 88 PRO CB C 88 31.460 31.460 32.499 -1.039 19906 6737 1 17 . 1 1 89 89 THR N N 89 114.280 114.280 116.795 -2.515 19906 6738 1 17 . 1 1 89 89 THR HA H 89 4.340 4.340 4.464 -0.124 19906 6739 1 17 . 1 1 89 89 THR CA C 89 62.320 62.320 61.287 1.033 19906 6740 1 17 . 1 1 89 89 THR CB C 89 69.530 69.530 69.693 -0.163 19906 6741 1 17 . 1 1 89 89 THR H H 89 8.270 8.270 8.143 0.127 19906 6742 1 17 . 1 1 90 90 THR N N 90 116.290 116.290 113.881 2.409 19906 6743 1 17 . 1 1 90 90 THR HA H 90 4.330 4.330 4.608 -0.278 19906 6744 1 17 . 1 1 90 90 THR CA C 90 61.890 61.890 61.441 0.449 19906 6745 1 17 . 1 1 90 90 THR CB C 90 69.500 69.500 70.527 -1.027 19906 6746 1 17 . 1 1 90 90 THR H H 90 8.090 8.090 8.225 -0.135 19906 6747 1 17 . 1 1 91 91 LEU N N 91 124.660 124.660 122.504 2.156 19906 6748 1 17 . 1 1 91 91 LEU HA H 91 4.410 4.410 4.638 -0.228 19906 6749 1 17 . 1 1 91 91 LEU CA C 91 55.590 55.590 53.905 1.685 19906 6750 1 17 . 1 1 91 91 LEU CB C 91 41.600 41.600 42.522 -0.922 19906 6751 1 17 . 1 1 91 91 LEU H H 91 8.290 8.290 8.117 0.173 19906 6752 1 17 . 1 1 92 92 THR N N 92 115.030 115.030 113.104 1.926 19906 6753 1 17 . 1 1 92 92 THR HA H 92 4.300 4.300 4.360 -0.060 19906 6754 1 17 . 1 1 92 92 THR CA C 92 61.890 61.890 61.629 0.261 19906 6755 1 17 . 1 1 92 92 THR CB C 92 69.500 69.500 69.602 -0.102 19906 6756 1 17 . 1 1 92 92 THR H H 92 8.100 8.100 8.059 0.041 19906 6757 1 17 . 1 1 93 93 GLN N N 93 123.200 123.200 123.026 0.174 19906 6758 1 17 . 1 1 93 93 GLN HA H 93 4.350 4.350 4.289 0.061 19906 6759 1 17 . 1 1 93 93 GLN CA C 93 55.720 55.720 56.155 -0.435 19906 6760 1 17 . 1 1 93 93 GLN CB C 93 29.050 29.050 29.110 -0.060 19906 6761 1 17 . 1 1 93 93 GLN H H 93 8.380 8.380 8.485 -0.105 19906 6762 1 17 . 1 1 94 94 GLN N N 94 122.720 122.720 124.865 -2.145 19906 6763 1 17 . 1 1 94 94 GLN HA H 94 4.400 4.400 4.609 -0.209 19906 6764 1 17 . 1 1 94 94 GLN CA C 94 55.780 55.780 54.979 0.801 19906 6765 1 17 . 1 1 94 94 GLN CB C 94 29.100 29.100 30.144 -1.044 19906 6766 1 17 . 1 1 94 94 GLN H H 94 8.480 8.480 8.590 -0.110 19906 6767 1 18 . 1 1 4 4 SER HA H 4 4.400 4.400 4.627 -0.227 19906 6768 1 18 . 1 1 4 4 SER CA C 4 58.290 58.290 58.616 -0.326 19906 6769 1 18 . 1 1 4 4 SER CB C 4 63.790 63.790 63.713 0.077 19906 6770 1 18 . 1 1 5 5 GLU N N 5 121.960 121.960 125.580 -3.620 19906 6771 1 18 . 1 1 5 5 GLU HA H 5 4.410 4.410 4.732 -0.322 19906 6772 1 18 . 1 1 5 5 GLU CA C 5 55.610 55.610 56.239 -0.629 19906 6773 1 18 . 1 1 5 5 GLU CB C 5 31.950 31.950 30.416 1.534 19906 6774 1 18 . 1 1 5 5 GLU H H 5 8.450 8.450 8.616 -0.166 19906 6775 1 18 . 1 1 6 6 VAL N N 6 122.170 122.170 120.562 1.608 19906 6776 1 18 . 1 1 6 6 VAL HA H 6 4.070 4.070 4.633 -0.563 19906 6777 1 18 . 1 1 6 6 VAL CA C 6 56.380 56.380 58.475 -2.095 19906 6778 1 18 . 1 1 6 6 VAL CB C 6 29.500 29.500 33.464 -3.963 19906 6779 1 18 . 1 1 6 6 VAL H H 6 8.260 8.260 8.298 -0.038 19906 6780 1 18 . 1 1 9 9 LEU N N 9 123.830 123.830 121.080 2.750 19906 6781 1 18 . 1 1 9 9 LEU HA H 9 4.490 4.490 4.514 -0.024 19906 6782 1 18 . 1 1 9 9 LEU CA C 9 54.820 54.820 54.222 0.598 19906 6783 1 18 . 1 1 9 9 LEU CB C 9 41.930 41.930 42.951 -1.021 19906 6784 1 18 . 1 1 9 9 LEU H H 9 7.770 7.770 7.521 0.249 19906 6785 1 18 . 1 1 11 11 ASP HA H 11 4.730 4.730 4.805 -0.075 19906 6786 1 18 . 1 1 11 11 ASP CA C 11 53.060 53.060 53.561 -0.501 19906 6787 1 18 . 1 1 11 11 ASP CB C 11 38.110 38.110 41.963 -3.853 19906 6788 1 18 . 1 1 12 12 LEU N N 12 122.730 122.730 122.124 0.606 19906 6789 1 18 . 1 1 12 12 LEU HA H 12 4.660 4.660 4.231 0.429 19906 6790 1 18 . 1 1 12 12 LEU CA C 12 55.130 55.130 55.813 -0.683 19906 6791 1 18 . 1 1 12 12 LEU CB C 12 43.390 43.390 42.846 0.544 19906 6792 1 18 . 1 1 12 12 LEU H H 12 7.420 7.420 8.352 -0.932 19906 6793 1 18 . 1 1 13 13 SER N N 13 120.760 120.760 119.636 1.124 19906 6794 1 18 . 1 1 13 13 SER HA H 13 4.270 4.270 4.648 -0.378 19906 6795 1 18 . 1 1 13 13 SER CA C 13 56.880 56.880 57.074 -0.194 19906 6796 1 18 . 1 1 13 13 SER CB C 13 65.890 65.890 65.998 -0.108 19906 6797 1 18 . 1 1 13 13 SER H H 13 9.020 9.020 8.041 0.979 19906 6798 1 18 . 1 1 14 14 PHE N N 14 119.920 119.920 119.899 0.021 19906 6799 1 18 . 1 1 14 14 PHE HA H 14 5.510 5.510 5.036 0.474 19906 6800 1 18 . 1 1 14 14 PHE CA C 14 56.760 56.760 56.408 0.352 19906 6801 1 18 . 1 1 14 14 PHE CB C 14 39.930 39.930 41.936 -2.006 19906 6802 1 18 . 1 1 14 14 PHE H H 14 8.370 8.370 8.638 -0.268 19906 6803 1 18 . 1 1 15 15 VAL N N 15 117.820 117.820 117.031 0.789 19906 6804 1 18 . 1 1 15 15 VAL HA H 15 4.680 4.680 4.537 0.143 19906 6805 1 18 . 1 1 15 15 VAL CA C 15 58.880 58.880 60.426 -1.546 19906 6806 1 18 . 1 1 15 15 VAL CB C 15 36.900 36.900 35.552 1.348 19906 6807 1 18 . 1 1 15 15 VAL H H 15 9.100 9.100 8.492 0.608 19906 6808 1 18 . 1 1 16 16 ASP N N 16 116.850 116.850 118.755 -1.905 19906 6809 1 18 . 1 1 16 16 ASP HA H 16 4.190 4.190 4.256 -0.066 19906 6810 1 18 . 1 1 16 16 ASP CA C 16 54.550 54.550 55.439 -0.889 19906 6811 1 18 . 1 1 16 16 ASP CB C 16 38.920 38.920 39.565 -0.645 19906 6812 1 18 . 1 1 16 16 ASP H H 16 8.520 8.520 8.779 -0.259 19906 6813 1 18 . 1 1 17 17 ILE N N 17 118.600 118.600 119.651 -1.051 19906 6814 1 18 . 1 1 17 17 ILE HA H 17 4.150 4.150 3.952 0.198 19906 6815 1 18 . 1 1 17 17 ILE CA C 17 63.190 63.190 62.668 0.522 19906 6816 1 18 . 1 1 17 17 ILE CB C 17 37.770 37.770 38.215 -0.445 19906 6817 1 18 . 1 1 17 17 ILE H H 17 8.150 8.150 7.948 0.202 19906 6818 1 18 . 1 1 18 18 THR N N 18 122.160 122.160 122.176 -0.016 19906 6819 1 18 . 1 1 18 18 THR HA H 18 4.910 4.910 4.562 0.348 19906 6820 1 18 . 1 1 18 18 THR CA C 18 60.570 60.570 60.517 0.053 19906 6821 1 18 . 1 1 18 18 THR CB C 18 70.600 70.600 70.478 0.121 19906 6822 1 18 . 1 1 18 18 THR H H 18 8.740 8.740 8.328 0.412 19906 6823 1 18 . 1 1 19 19 ASP N N 19 115.600 115.600 121.932 -6.332 19906 6824 1 18 . 1 1 19 19 ASP HA H 19 4.480 4.480 4.527 -0.047 19906 6825 1 18 . 1 1 19 19 ASP CA C 19 54.880 54.880 55.855 -0.975 19906 6826 1 18 . 1 1 19 19 ASP CB C 19 40.430 40.430 40.202 0.228 19906 6827 1 18 . 1 1 19 19 ASP H H 19 8.450 8.450 8.583 -0.133 19906 6828 1 18 . 1 1 20 20 SER N N 20 108.500 108.500 113.920 -5.420 19906 6829 1 18 . 1 1 20 20 SER HA H 20 4.620 4.620 4.627 -0.007 19906 6830 1 18 . 1 1 20 20 SER CA C 20 57.660 57.660 57.783 -0.123 19906 6831 1 18 . 1 1 20 20 SER CB C 20 66.090 66.090 63.649 2.441 19906 6832 1 18 . 1 1 20 20 SER H H 20 8.120 8.120 8.011 0.109 19906 6833 1 18 . 1 1 21 21 SER N N 21 116.590 116.590 114.863 1.727 19906 6834 1 18 . 1 1 21 21 SER HA H 21 5.230 5.230 5.307 -0.077 19906 6835 1 18 . 1 1 21 21 SER CA C 21 56.730 56.730 57.461 -0.731 19906 6836 1 18 . 1 1 21 21 SER CB C 21 66.730 66.730 65.381 1.349 19906 6837 1 18 . 1 1 21 21 SER H H 21 7.530 7.530 7.532 -0.002 19906 6838 1 18 . 1 1 22 22 ILE N N 22 113.850 113.850 116.767 -2.917 19906 6839 1 18 . 1 1 22 22 ILE HA H 22 4.490 4.490 4.741 -0.251 19906 6840 1 18 . 1 1 22 22 ILE CA C 22 60.320 60.320 58.966 1.354 19906 6841 1 18 . 1 1 22 22 ILE CB C 22 42.650 42.650 41.774 0.876 19906 6842 1 18 . 1 1 22 22 ILE H H 22 8.210 8.210 7.999 0.211 19906 6843 1 18 . 1 1 23 23 GLY N N 23 112.950 112.950 112.972 -0.022 19906 6844 1 18 . 1 1 23 23 GLY CA C 23 44.110 44.110 43.914 0.196 19906 6845 1 18 . 1 1 23 23 GLY H H 23 8.300 8.300 8.421 -0.121 19906 6846 1 18 . 1 1 24 24 LEU N N 24 123.740 123.740 126.222 -2.482 19906 6847 1 18 . 1 1 24 24 LEU HA H 24 4.820 4.820 4.355 0.465 19906 6848 1 18 . 1 1 24 24 LEU CA C 24 53.930 53.930 55.578 -1.648 19906 6849 1 18 . 1 1 24 24 LEU CB C 24 42.470 42.470 42.064 0.406 19906 6850 1 18 . 1 1 24 24 LEU H H 24 8.820 8.820 7.832 0.988 19906 6851 1 18 . 1 1 25 25 ARG N N 25 119.980 119.980 124.702 -4.722 19906 6852 1 18 . 1 1 25 25 ARG HA H 25 4.890 4.890 4.554 0.336 19906 6853 1 18 . 1 1 25 25 ARG CA C 25 54.040 54.040 54.999 -0.959 19906 6854 1 18 . 1 1 25 25 ARG CB C 25 33.850 33.850 34.402 -0.552 19906 6855 1 18 . 1 1 25 25 ARG H H 25 8.570 8.570 8.096 0.474 19906 6856 1 18 . 1 1 26 26 TRP N N 26 122.480 122.480 124.771 -2.291 19906 6857 1 18 . 1 1 26 26 TRP HA H 26 4.840 4.840 5.051 -0.211 19906 6858 1 18 . 1 1 26 26 TRP CA C 26 56.790 56.790 55.713 1.077 19906 6859 1 18 . 1 1 26 26 TRP CB C 26 31.460 31.460 30.338 1.122 19906 6860 1 18 . 1 1 26 26 TRP H H 26 7.960 7.960 7.413 0.547 19906 6861 1 18 . 1 1 27 27 THR N N 27 119.820 119.820 121.773 -1.953 19906 6862 1 18 . 1 1 27 27 THR HA H 27 4.750 4.750 4.317 0.433 19906 6863 1 18 . 1 1 27 27 THR CA C 27 60.690 60.690 61.889 -1.199 19906 6864 1 18 . 1 1 27 27 THR CB C 27 68.460 68.460 68.509 -0.049 19906 6865 1 18 . 1 1 27 27 THR H H 27 9.780 9.780 8.628 1.152 19906 6866 1 18 . 1 1 28 28 PRO HA H 28 4.470 4.470 4.453 0.017 19906 6867 1 18 . 1 1 28 28 PRO CA C 28 63.260 63.260 63.117 0.143 19906 6868 1 18 . 1 1 28 28 PRO CB C 28 31.980 31.980 32.234 -0.254 19906 6869 1 18 . 1 1 29 29 LEU N N 29 124.220 124.220 121.004 3.216 19906 6870 1 18 . 1 1 29 29 LEU HA H 29 4.490 4.490 4.561 -0.071 19906 6871 1 18 . 1 1 29 29 LEU CA C 29 54.150 54.150 53.993 0.157 19906 6872 1 18 . 1 1 29 29 LEU CB C 29 43.040 43.040 42.972 0.068 19906 6873 1 18 . 1 1 29 29 LEU H H 29 8.570 8.570 8.274 0.296 19906 6874 1 18 . 1 1 30 30 ASN N N 30 119.950 119.950 121.631 -1.681 19906 6875 1 18 . 1 1 30 30 ASN HA H 30 4.700 4.700 4.408 0.292 19906 6876 1 18 . 1 1 30 30 ASN CA C 30 53.570 53.570 55.512 -1.942 19906 6877 1 18 . 1 1 30 30 ASN CB C 30 38.340 38.340 38.512 -0.172 19906 6878 1 18 . 1 1 30 30 ASN H H 30 8.630 8.630 9.037 -0.407 19906 6879 1 18 . 1 1 31 31 SER N N 31 114.290 114.290 113.704 0.586 19906 6880 1 18 . 1 1 31 31 SER HA H 31 4.560 4.560 4.474 0.086 19906 6881 1 18 . 1 1 31 31 SER CA C 31 57.500 57.500 59.715 -2.215 19906 6882 1 18 . 1 1 31 31 SER CB C 31 63.480 63.480 63.512 -0.032 19906 6883 1 18 . 1 1 31 31 SER H H 31 8.090 8.090 8.445 -0.355 19906 6884 1 18 . 1 1 32 32 SER HA H 32 4.560 4.560 4.344 0.216 19906 6885 1 18 . 1 1 32 32 SER CA C 32 58.140 58.140 59.538 -1.398 19906 6886 1 18 . 1 1 32 32 SER CB C 32 63.730 63.730 63.595 0.135 19906 6887 1 18 . 1 1 33 33 THR N N 33 114.160 114.160 119.741 -5.581 19906 6888 1 18 . 1 1 33 33 THR HA H 33 4.300 4.300 4.213 0.087 19906 6889 1 18 . 1 1 33 33 THR CA C 33 63.620 63.620 63.804 -0.184 19906 6890 1 18 . 1 1 33 33 THR CB C 33 69.530 69.530 69.539 -0.009 19906 6891 1 18 . 1 1 33 33 THR H H 33 8.000 8.000 8.133 -0.133 19906 6892 1 18 . 1 1 34 34 ILE N N 34 121.090 121.090 125.669 -4.579 19906 6893 1 18 . 1 1 34 34 ILE HA H 34 4.300 4.300 4.169 0.131 19906 6894 1 18 . 1 1 34 34 ILE CA C 34 61.920 61.920 60.126 1.794 19906 6895 1 18 . 1 1 34 34 ILE CB C 34 38.080 38.080 36.000 2.080 19906 6896 1 18 . 1 1 34 34 ILE H H 34 7.980 7.980 8.453 -0.473 19906 6897 1 18 . 1 1 35 35 ILE N N 35 126.230 126.230 120.537 5.693 19906 6898 1 18 . 1 1 35 35 ILE HA H 35 4.220 4.220 4.261 -0.041 19906 6899 1 18 . 1 1 35 35 ILE CA C 35 61.720 61.720 59.461 2.259 19906 6900 1 18 . 1 1 35 35 ILE CB C 35 38.790 38.790 41.168 -2.378 19906 6901 1 18 . 1 1 35 35 ILE H H 35 8.810 8.810 7.515 1.295 19906 6902 1 18 . 1 1 36 36 GLY CA C 36 45.520 45.520 45.378 0.142 19906 6903 1 18 . 1 1 37 37 TYR N N 37 120.400 120.400 122.074 -1.674 19906 6904 1 18 . 1 1 37 37 TYR HA H 37 5.070 5.070 4.713 0.357 19906 6905 1 18 . 1 1 37 37 TYR CA C 37 57.930 57.930 56.474 1.456 19906 6906 1 18 . 1 1 37 37 TYR CB C 37 38.950 38.950 40.615 -1.665 19906 6907 1 18 . 1 1 37 37 TYR H H 37 7.340 7.340 7.817 -0.477 19906 6908 1 18 . 1 1 38 38 ARG HA H 38 5.150 5.150 5.009 0.141 19906 6909 1 18 . 1 1 38 38 ARG CA C 38 54.450 54.450 54.566 -0.116 19906 6910 1 18 . 1 1 38 38 ARG CB C 38 31.530 31.530 31.801 -0.271 19906 6911 1 18 . 1 1 39 39 ILE N N 39 129.570 129.570 124.608 4.962 19906 6912 1 18 . 1 1 39 39 ILE HA H 39 5.060 5.060 4.475 0.585 19906 6913 1 18 . 1 1 39 39 ILE CA C 39 60.030 60.030 60.227 -0.197 19906 6914 1 18 . 1 1 39 39 ILE CB C 39 40.780 40.780 38.248 2.531 19906 6915 1 18 . 1 1 39 39 ILE H H 39 9.040 9.040 8.409 0.631 19906 6916 1 18 . 1 1 40 40 THR N N 40 120.430 120.430 123.415 -2.985 19906 6917 1 18 . 1 1 40 40 THR HA H 40 5.210 5.210 4.567 0.643 19906 6918 1 18 . 1 1 40 40 THR CA C 40 61.130 61.130 62.047 -0.917 19906 6919 1 18 . 1 1 40 40 THR CB C 40 71.090 71.090 70.168 0.922 19906 6920 1 18 . 1 1 40 40 THR H H 40 8.880 8.880 7.947 0.933 19906 6921 1 18 . 1 1 41 41 VAL HA H 41 5.030 5.030 4.561 0.469 19906 6922 1 18 . 1 1 41 41 VAL CA C 41 61.280 61.280 60.009 1.271 19906 6923 1 18 . 1 1 41 41 VAL CB C 41 33.800 33.800 34.415 -0.615 19906 6924 1 18 . 1 1 41 41 VAL H H 41 8.820 8.820 8.413 0.407 19906 6925 1 18 . 1 1 42 42 VAL N N 42 127.670 127.670 126.714 0.956 19906 6926 1 18 . 1 1 42 42 VAL HA H 42 4.650 4.650 4.374 0.276 19906 6927 1 18 . 1 1 42 42 VAL CA C 42 60.320 60.320 60.568 -0.248 19906 6928 1 18 . 1 1 42 42 VAL CB C 42 35.800 35.800 36.453 -0.653 19906 6929 1 18 . 1 1 42 42 VAL H H 42 9.100 9.100 9.293 -0.193 19906 6930 1 18 . 1 1 43 43 ALA N N 43 131.340 131.340 129.117 2.223 19906 6931 1 18 . 1 1 43 43 ALA HA H 43 4.410 4.410 4.102 0.308 19906 6932 1 18 . 1 1 43 43 ALA CA C 43 52.420 52.420 50.764 1.656 19906 6933 1 18 . 1 1 43 43 ALA CB C 43 18.750 18.750 19.601 -0.851 19906 6934 1 18 . 1 1 43 43 ALA H H 43 9.420 9.420 8.468 0.952 19906 6935 1 18 . 1 1 44 44 ALA N N 44 126.040 126.040 126.334 -0.294 19906 6936 1 18 . 1 1 44 44 ALA HA H 44 4.120 4.120 4.363 -0.243 19906 6937 1 18 . 1 1 44 44 ALA CA C 44 53.790 53.790 52.964 0.826 19906 6938 1 18 . 1 1 44 44 ALA CB C 44 18.680 18.680 19.588 -0.908 19906 6939 1 18 . 1 1 44 44 ALA H H 44 8.260 8.260 8.028 0.232 19906 6940 1 18 . 1 1 45 45 GLY CA C 45 45.620 45.620 44.990 0.630 19906 6941 1 18 . 1 1 45 45 GLY H H 45 8.700 8.700 8.195 0.505 19906 6942 1 18 . 1 1 46 46 GLU N N 46 119.650 119.650 118.589 1.061 19906 6943 1 18 . 1 1 46 46 GLU HA H 46 4.470 4.470 4.464 0.006 19906 6944 1 18 . 1 1 46 46 GLU CA C 46 55.870 55.870 55.087 0.783 19906 6945 1 18 . 1 1 46 46 GLU CB C 46 30.520 30.520 31.792 -1.272 19906 6946 1 18 . 1 1 46 46 GLU H H 46 8.110 8.110 7.223 0.887 19906 6947 1 18 . 1 1 47 47 GLY N N 47 107.160 107.160 109.704 -2.544 19906 6948 1 18 . 1 1 47 47 GLY CA C 47 45.910 45.910 45.873 0.037 19906 6949 1 18 . 1 1 47 47 GLY H H 47 8.400 8.400 8.674 -0.274 19906 6950 1 18 . 1 1 48 48 ILE N N 48 120.010 120.010 121.256 -1.246 19906 6951 1 18 . 1 1 48 48 ILE HA H 48 4.620 4.620 4.358 0.262 19906 6952 1 18 . 1 1 48 48 ILE CA C 48 58.500 58.500 57.910 0.590 19906 6953 1 18 . 1 1 48 48 ILE CB C 48 39.400 39.400 41.315 -1.915 19906 6954 1 18 . 1 1 48 48 ILE H H 48 7.440 7.440 7.424 0.016 19906 6955 1 18 . 1 1 49 49 PRO HA H 49 4.530 4.530 4.625 -0.095 19906 6956 1 18 . 1 1 49 49 PRO CA C 49 63.590 63.590 62.180 1.410 19906 6957 1 18 . 1 1 49 49 PRO CB C 49 31.880 31.880 32.196 -0.316 19906 6958 1 18 . 1 1 50 50 ILE N N 50 122.120 122.120 120.133 1.987 19906 6959 1 18 . 1 1 50 50 ILE HA H 50 4.150 4.150 4.080 0.070 19906 6960 1 18 . 1 1 50 50 ILE CA C 50 63.310 63.310 61.544 1.766 19906 6961 1 18 . 1 1 50 50 ILE CB C 50 38.020 38.020 38.713 -0.693 19906 6962 1 18 . 1 1 50 50 ILE H H 50 8.720 8.720 8.164 0.556 19906 6963 1 18 . 1 1 51 51 PHE HA H 51 4.770 4.770 4.529 0.241 19906 6964 1 18 . 1 1 51 51 PHE CA C 51 57.900 57.900 58.129 -0.229 19906 6965 1 18 . 1 1 51 51 PHE CB C 51 41.870 41.870 39.559 2.311 19906 6966 1 18 . 1 1 52 52 GLU HA H 52 5.350 5.350 4.323 1.027 19906 6967 1 18 . 1 1 52 52 GLU CA C 52 55.140 55.140 56.190 -1.050 19906 6968 1 18 . 1 1 52 52 GLU CB C 52 32.030 32.030 30.617 1.413 19906 6969 1 18 . 1 1 53 53 ASP N N 53 122.750 122.750 119.361 3.389 19906 6970 1 18 . 1 1 53 53 ASP HA H 53 5.000 5.000 4.765 0.235 19906 6971 1 18 . 1 1 53 53 ASP CA C 53 52.950 52.950 53.270 -0.320 19906 6972 1 18 . 1 1 53 53 ASP CB C 53 44.770 44.770 44.273 0.497 19906 6973 1 18 . 1 1 53 53 ASP H H 53 8.850 8.850 7.862 0.988 19906 6974 1 18 . 1 1 54 54 PHE N N 54 121.100 121.100 121.234 -0.134 19906 6975 1 18 . 1 1 54 54 PHE HA H 54 5.380 5.380 4.755 0.625 19906 6976 1 18 . 1 1 54 54 PHE CA C 54 56.180 56.180 57.121 -0.941 19906 6977 1 18 . 1 1 54 54 PHE CB C 54 42.110 42.110 40.090 2.020 19906 6978 1 18 . 1 1 54 54 PHE H H 54 8.770 8.770 8.632 0.138 19906 6979 1 18 . 1 1 55 55 VAL N N 55 125.760 125.760 124.464 1.296 19906 6980 1 18 . 1 1 55 55 VAL HA H 55 4.320 4.320 4.368 -0.048 19906 6981 1 18 . 1 1 55 55 VAL CA C 55 59.140 59.140 59.516 -0.376 19906 6982 1 18 . 1 1 55 55 VAL CB C 55 34.940 34.940 36.465 -1.526 19906 6983 1 18 . 1 1 55 55 VAL H H 55 8.290 8.290 8.178 0.112 19906 6984 1 18 . 1 1 56 56 ASP N N 56 127.100 127.100 127.515 -0.415 19906 6985 1 18 . 1 1 56 56 ASP HA H 56 4.560 4.560 4.469 0.091 19906 6986 1 18 . 1 1 56 56 ASP CA C 56 54.980 54.980 54.374 0.606 19906 6987 1 18 . 1 1 56 56 ASP CB C 56 42.730 42.730 41.543 1.187 19906 6988 1 18 . 1 1 56 56 ASP H H 56 8.460 8.460 8.508 -0.048 19906 6989 1 18 . 1 1 57 57 SER N N 57 119.630 119.630 116.565 3.065 19906 6990 1 18 . 1 1 57 57 SER HA H 57 4.330 4.330 4.074 0.256 19906 6991 1 18 . 1 1 57 57 SER CA C 57 60.630 60.630 61.288 -0.657 19906 6992 1 18 . 1 1 57 57 SER CB C 57 62.680 62.680 63.022 -0.342 19906 6993 1 18 . 1 1 57 57 SER H H 57 8.260 8.260 8.472 -0.212 19906 6994 1 18 . 1 1 58 58 SER N N 58 117.030 117.030 115.833 1.197 19906 6995 1 18 . 1 1 58 58 SER HA H 58 4.400 4.400 4.193 0.207 19906 6996 1 18 . 1 1 58 58 SER CA C 58 60.430 60.430 60.847 -0.417 19906 6997 1 18 . 1 1 58 58 SER CB C 58 63.700 63.700 62.706 0.994 19906 6998 1 18 . 1 1 58 58 SER H H 58 9.080 9.080 8.352 0.728 19906 6999 1 18 . 1 1 59 59 VAL N N 59 119.350 119.350 118.213 1.137 19906 7000 1 18 . 1 1 59 59 VAL HA H 59 3.790 3.790 3.420 0.370 19906 7001 1 18 . 1 1 59 59 VAL CA C 59 65.670 65.670 64.540 1.130 19906 7002 1 18 . 1 1 59 59 VAL CB C 59 32.400 32.400 31.397 1.003 19906 7003 1 18 . 1 1 59 59 VAL H H 59 7.570 7.570 7.218 0.352 19906 7004 1 18 . 1 1 60 60 GLY N N 60 104.070 104.070 106.270 -2.200 19906 7005 1 18 . 1 1 60 60 GLY CA C 60 44.430 44.430 46.044 -1.614 19906 7006 1 18 . 1 1 60 60 GLY H H 60 6.120 6.120 7.669 -1.549 19906 7007 1 18 . 1 1 61 61 TYR N N 61 117.690 117.690 118.243 -0.553 19906 7008 1 18 . 1 1 61 61 TYR HA H 61 5.030 5.030 4.911 0.119 19906 7009 1 18 . 1 1 61 61 TYR CA C 61 56.320 56.320 54.040 2.280 19906 7010 1 18 . 1 1 61 61 TYR CB C 61 41.700 41.700 40.542 1.158 19906 7011 1 18 . 1 1 61 61 TYR H H 61 6.080 6.080 6.908 -0.828 19906 7012 1 18 . 1 1 62 62 TYR N N 62 126.650 126.650 120.348 6.302 19906 7013 1 18 . 1 1 62 62 TYR HA H 62 4.440 4.440 4.863 -0.423 19906 7014 1 18 . 1 1 62 62 TYR CA C 62 58.560 58.560 57.529 1.030 19906 7015 1 18 . 1 1 62 62 TYR CB C 62 43.550 43.550 43.127 0.423 19906 7016 1 18 . 1 1 62 62 TYR H H 62 8.440 8.440 8.935 -0.495 19906 7017 1 18 . 1 1 63 63 THR N N 63 122.160 122.160 117.798 4.362 19906 7018 1 18 . 1 1 63 63 THR HA H 63 4.780 4.780 4.634 0.146 19906 7019 1 18 . 1 1 63 63 THR CA C 63 61.610 61.610 61.161 0.449 19906 7020 1 18 . 1 1 63 63 THR CB C 63 69.810 69.810 70.025 -0.215 19906 7021 1 18 . 1 1 63 63 THR H H 63 7.380 7.380 7.081 0.299 19906 7022 1 18 . 1 1 64 64 VAL N N 64 127.940 127.940 123.125 4.815 19906 7023 1 18 . 1 1 64 64 VAL HA H 64 3.660 3.660 4.672 -1.012 19906 7024 1 18 . 1 1 64 64 VAL CA C 64 61.840 61.840 61.220 0.620 19906 7025 1 18 . 1 1 64 64 VAL CB C 64 31.840 31.840 32.783 -0.943 19906 7026 1 18 . 1 1 64 64 VAL H H 64 8.860 8.860 8.116 0.744 19906 7027 1 18 . 1 1 65 65 THR N N 65 116.150 116.150 116.056 0.094 19906 7028 1 18 . 1 1 65 65 THR HA H 65 4.640 4.640 5.144 -0.504 19906 7029 1 18 . 1 1 65 65 THR CA C 65 59.470 59.470 59.325 0.145 19906 7030 1 18 . 1 1 65 65 THR CB C 65 71.160 71.160 71.228 -0.068 19906 7031 1 18 . 1 1 65 65 THR H H 65 7.290 7.290 8.184 -0.894 19906 7032 1 18 . 1 1 66 66 GLY N N 66 105.560 105.560 108.418 -2.858 19906 7033 1 18 . 1 1 66 66 GLY CA C 66 45.860 45.860 44.824 1.036 19906 7034 1 18 . 1 1 66 66 GLY H H 66 8.450 8.450 8.327 0.123 19906 7035 1 18 . 1 1 67 67 LEU N N 67 119.080 119.080 120.958 -1.878 19906 7036 1 18 . 1 1 67 67 LEU HA H 67 4.180 4.180 3.881 0.299 19906 7037 1 18 . 1 1 67 67 LEU CA C 67 53.380 53.380 52.792 0.588 19906 7038 1 18 . 1 1 67 67 LEU CB C 67 41.630 41.630 41.038 0.592 19906 7039 1 18 . 1 1 67 67 LEU H H 67 7.850 7.850 8.039 -0.189 19906 7040 1 18 . 1 1 68 68 GLU N N 68 120.030 120.030 124.052 -4.022 19906 7041 1 18 . 1 1 68 68 GLU HA H 68 4.920 4.920 4.289 0.631 19906 7042 1 18 . 1 1 68 68 GLU CA C 68 52.510 52.510 55.104 -2.594 19906 7043 1 18 . 1 1 68 68 GLU CB C 68 31.040 31.040 29.013 2.027 19906 7044 1 18 . 1 1 68 68 GLU H H 68 8.500 8.500 8.383 0.117 19906 7045 1 18 . 1 1 69 69 PRO HA H 69 4.470 4.470 4.453 0.017 19906 7046 1 18 . 1 1 69 69 PRO CA C 69 62.740 62.740 63.240 -0.500 19906 7047 1 18 . 1 1 69 69 PRO CB C 69 31.410 31.410 32.084 -0.674 19906 7048 1 18 . 1 1 70 70 GLY N N 70 106.940 106.940 108.920 -1.980 19906 7049 1 18 . 1 1 70 70 GLY CA C 70 45.830 45.830 45.628 0.202 19906 7050 1 18 . 1 1 70 70 GLY H H 70 8.500 8.500 8.824 -0.324 19906 7051 1 18 . 1 1 71 71 ILE N N 71 120.080 120.080 121.422 -1.342 19906 7052 1 18 . 1 1 71 71 ILE HA H 71 4.080 4.080 4.170 -0.090 19906 7053 1 18 . 1 1 71 71 ILE CA C 71 58.710 58.710 60.161 -1.451 19906 7054 1 18 . 1 1 71 71 ILE CB C 71 40.410 40.410 39.639 0.771 19906 7055 1 18 . 1 1 71 71 ILE H H 71 7.510 7.510 7.451 0.059 19906 7056 1 18 . 1 1 72 72 ASP N N 72 124.920 124.920 126.629 -1.709 19906 7057 1 18 . 1 1 72 72 ASP HA H 72 4.930 4.930 4.645 0.285 19906 7058 1 18 . 1 1 72 72 ASP CA C 72 54.260 54.260 53.464 0.796 19906 7059 1 18 . 1 1 72 72 ASP CB C 72 41.120 41.120 41.477 -0.357 19906 7060 1 18 . 1 1 72 72 ASP H H 72 8.190 8.190 8.454 -0.265 19906 7061 1 18 . 1 1 73 73 TYR N N 73 122.440 122.440 124.969 -2.529 19906 7062 1 18 . 1 1 73 73 TYR HA H 73 5.070 5.070 4.814 0.256 19906 7063 1 18 . 1 1 73 73 TYR CA C 73 57.390 57.390 57.630 -0.240 19906 7064 1 18 . 1 1 73 73 TYR CB C 73 40.550 40.550 40.609 -0.059 19906 7065 1 18 . 1 1 73 73 TYR H H 73 9.310 9.310 8.532 0.778 19906 7066 1 18 . 1 1 74 74 ASP N N 74 122.980 122.980 125.039 -2.059 19906 7067 1 18 . 1 1 74 74 ASP HA H 74 5.220 5.220 4.923 0.297 19906 7068 1 18 . 1 1 74 74 ASP CA C 74 53.900 53.900 54.197 -0.297 19906 7069 1 18 . 1 1 74 74 ASP CB C 74 42.120 42.120 41.706 0.414 19906 7070 1 18 . 1 1 74 74 ASP H H 74 9.290 9.290 8.911 0.379 19906 7071 1 18 . 1 1 75 75 ILE N N 75 124.270 124.270 120.424 3.846 19906 7072 1 18 . 1 1 75 75 ILE HA H 75 5.470 5.470 4.756 0.714 19906 7073 1 18 . 1 1 75 75 ILE CA C 75 58.400 58.400 58.184 0.216 19906 7074 1 18 . 1 1 75 75 ILE CB C 75 40.900 40.900 40.636 0.265 19906 7075 1 18 . 1 1 75 75 ILE H H 75 8.810 8.810 8.310 0.500 19906 7076 1 18 . 1 1 76 76 SER N N 76 121.300 121.300 116.832 4.468 19906 7077 1 18 . 1 1 76 76 SER HA H 76 5.800 5.800 4.625 1.175 19906 7078 1 18 . 1 1 76 76 SER CA C 76 56.340 56.340 57.742 -1.402 19906 7079 1 18 . 1 1 76 76 SER CB C 76 66.180 66.180 64.362 1.817 19906 7080 1 18 . 1 1 76 76 SER H H 76 8.760 8.760 8.533 0.227 19906 7081 1 18 . 1 1 77 77 VAL N N 77 124.740 124.740 128.157 -3.417 19906 7082 1 18 . 1 1 77 77 VAL HA H 77 4.760 4.760 4.157 0.603 19906 7083 1 18 . 1 1 77 77 VAL CA C 77 61.190 61.190 61.552 -0.362 19906 7084 1 18 . 1 1 77 77 VAL CB C 77 33.270 33.270 30.785 2.486 19906 7085 1 18 . 1 1 77 77 VAL H H 77 9.420 9.420 8.454 0.966 19906 7086 1 18 . 1 1 78 78 ILE N N 78 126.300 126.300 129.791 -3.491 19906 7087 1 18 . 1 1 78 78 ILE HA H 78 4.710 4.710 4.086 0.624 19906 7088 1 18 . 1 1 78 78 ILE CA C 78 61.160 61.160 61.041 0.119 19906 7089 1 18 . 1 1 78 78 ILE CB C 78 41.050 41.050 37.921 3.129 19906 7090 1 18 . 1 1 78 78 ILE H H 78 9.370 9.370 8.094 1.276 19906 7091 1 18 . 1 1 79 79 THR N N 79 122.350 122.350 123.381 -1.031 19906 7092 1 18 . 1 1 79 79 THR HA H 79 4.280 4.280 4.262 0.018 19906 7093 1 18 . 1 1 79 79 THR CA C 79 64.260 64.260 61.789 2.471 19906 7094 1 18 . 1 1 79 79 THR CB C 79 69.130 69.130 69.383 -0.253 19906 7095 1 18 . 1 1 79 79 THR H H 79 8.550 8.550 8.380 0.170 19906 7096 1 18 . 1 1 80 80 LEU N N 80 128.900 128.900 130.078 -1.178 19906 7097 1 18 . 1 1 80 80 LEU HA H 80 4.730 4.730 4.652 0.078 19906 7098 1 18 . 1 1 80 80 LEU CA C 80 54.060 54.060 54.260 -0.200 19906 7099 1 18 . 1 1 80 80 LEU CB C 80 41.470 41.470 43.216 -1.746 19906 7100 1 18 . 1 1 80 80 LEU H H 80 8.660 8.660 8.442 0.218 19906 7101 1 18 . 1 1 81 81 ILE N N 81 121.640 121.640 120.481 1.159 19906 7102 1 18 . 1 1 81 81 ILE HA H 81 4.870 4.870 4.433 0.437 19906 7103 1 18 . 1 1 81 81 ILE CA C 81 59.300 59.300 60.159 -0.859 19906 7104 1 18 . 1 1 81 81 ILE CB C 81 40.510 40.510 41.527 -1.017 19906 7105 1 18 . 1 1 81 81 ILE H H 81 8.350 8.350 8.125 0.225 19906 7106 1 18 . 1 1 82 82 ASN N N 82 123.240 123.240 123.414 -0.174 19906 7107 1 18 . 1 1 82 82 ASN HA H 82 4.640 4.640 4.568 0.072 19906 7108 1 18 . 1 1 82 82 ASN CA C 82 53.450 53.450 54.761 -1.311 19906 7109 1 18 . 1 1 82 82 ASN CB C 82 38.940 38.940 39.432 -0.492 19906 7110 1 18 . 1 1 82 82 ASN H H 82 8.820 8.820 8.804 0.016 19906 7111 1 18 . 1 1 83 83 GLY N N 83 112.680 112.680 108.314 4.366 19906 7112 1 18 . 1 1 83 83 GLY CA C 83 45.420 45.420 44.513 0.907 19906 7113 1 18 . 1 1 83 83 GLY H H 83 8.630 8.630 8.382 0.248 19906 7114 1 18 . 1 1 84 84 GLY N N 84 108.560 108.560 108.180 0.380 19906 7115 1 18 . 1 1 84 84 GLY CA C 84 45.190 45.190 44.357 0.833 19906 7116 1 18 . 1 1 84 84 GLY H H 84 8.280 8.280 8.285 -0.005 19906 7117 1 18 . 1 1 85 85 GLU N N 85 120.690 120.690 118.957 1.733 19906 7118 1 18 . 1 1 85 85 GLU HA H 85 4.320 4.320 4.174 0.146 19906 7119 1 18 . 1 1 85 85 GLU CA C 85 56.480 56.480 56.601 -0.121 19906 7120 1 18 . 1 1 85 85 GLU CB C 85 30.480 30.480 30.033 0.447 19906 7121 1 18 . 1 1 85 85 GLU H H 85 8.460 8.460 8.314 0.146 19906 7122 1 18 . 1 1 86 86 SER N N 86 116.860 116.860 118.059 -1.199 19906 7123 1 18 . 1 1 86 86 SER HA H 86 4.430 4.430 4.236 0.194 19906 7124 1 18 . 1 1 86 86 SER CA C 86 57.920 57.920 58.994 -1.074 19906 7125 1 18 . 1 1 86 86 SER CB C 86 63.720 63.720 63.133 0.587 19906 7126 1 18 . 1 1 86 86 SER H H 86 8.350 8.350 8.368 -0.018 19906 7127 1 18 . 1 1 87 87 ALA N N 87 126.890 126.890 127.666 -0.776 19906 7128 1 18 . 1 1 87 87 ALA HA H 87 4.580 4.580 4.631 -0.051 19906 7129 1 18 . 1 1 87 87 ALA CA C 87 50.450 50.450 51.070 -0.620 19906 7130 1 18 . 1 1 87 87 ALA CB C 87 18.110 18.110 18.861 -0.751 19906 7131 1 18 . 1 1 87 87 ALA H H 87 8.240 8.240 8.148 0.092 19906 7132 1 18 . 1 1 88 88 PRO HA H 88 4.470 4.470 4.541 -0.071 19906 7133 1 18 . 1 1 88 88 PRO CA C 88 62.960 62.960 63.270 -0.310 19906 7134 1 18 . 1 1 88 88 PRO CB C 88 31.460 31.460 32.036 -0.576 19906 7135 1 18 . 1 1 89 89 THR N N 89 114.280 114.280 118.819 -4.539 19906 7136 1 18 . 1 1 89 89 THR HA H 89 4.340 4.340 4.623 -0.283 19906 7137 1 18 . 1 1 89 89 THR CA C 89 62.320 62.320 61.852 0.468 19906 7138 1 18 . 1 1 89 89 THR CB C 89 69.530 69.530 70.797 -1.267 19906 7139 1 18 . 1 1 89 89 THR H H 89 8.270 8.270 8.288 -0.018 19906 7140 1 18 . 1 1 90 90 THR N N 90 116.290 116.290 117.526 -1.236 19906 7141 1 18 . 1 1 90 90 THR HA H 90 4.330 4.330 4.498 -0.168 19906 7142 1 18 . 1 1 90 90 THR CA C 90 61.890 61.890 62.123 -0.233 19906 7143 1 18 . 1 1 90 90 THR CB C 90 69.500 69.500 70.197 -0.697 19906 7144 1 18 . 1 1 90 90 THR H H 90 8.090 8.090 8.194 -0.104 19906 7145 1 18 . 1 1 91 91 LEU N N 91 124.660 124.660 126.418 -1.758 19906 7146 1 18 . 1 1 91 91 LEU HA H 91 4.410 4.410 4.606 -0.196 19906 7147 1 18 . 1 1 91 91 LEU CA C 91 55.590 55.590 54.444 1.146 19906 7148 1 18 . 1 1 91 91 LEU CB C 91 41.600 41.600 42.869 -1.269 19906 7149 1 18 . 1 1 91 91 LEU H H 91 8.290 8.290 8.298 -0.008 19906 7150 1 18 . 1 1 92 92 THR N N 92 115.030 115.030 116.330 -1.300 19906 7151 1 18 . 1 1 92 92 THR HA H 92 4.300 4.300 4.358 -0.058 19906 7152 1 18 . 1 1 92 92 THR CA C 92 61.890 61.890 61.953 -0.063 19906 7153 1 18 . 1 1 92 92 THR CB C 92 69.500 69.500 69.635 -0.135 19906 7154 1 18 . 1 1 92 92 THR H H 92 8.100 8.100 8.333 -0.233 19906 7155 1 18 . 1 1 93 93 GLN N N 93 123.200 123.200 124.281 -1.081 19906 7156 1 18 . 1 1 93 93 GLN HA H 93 4.350 4.350 4.313 0.037 19906 7157 1 18 . 1 1 93 93 GLN CA C 93 55.720 55.720 56.473 -0.753 19906 7158 1 18 . 1 1 93 93 GLN CB C 93 29.050 29.050 29.139 -0.089 19906 7159 1 18 . 1 1 93 93 GLN H H 93 8.380 8.380 8.517 -0.137 19906 7160 1 18 . 1 1 94 94 GLN N N 94 122.720 122.720 120.011 2.709 19906 7161 1 18 . 1 1 94 94 GLN HA H 94 4.400 4.400 4.055 0.345 19906 7162 1 18 . 1 1 94 94 GLN CA C 94 55.780 55.780 56.792 -1.012 19906 7163 1 18 . 1 1 94 94 GLN CB C 94 29.100 29.100 27.911 1.189 19906 7164 1 18 . 1 1 94 94 GLN H H 94 8.480 8.480 8.494 -0.014 19906 7165 1 19 . 1 1 4 4 SER HA H 4 4.400 4.400 4.505 -0.105 19906 7166 1 19 . 1 1 4 4 SER CA C 4 58.290 58.290 58.788 -0.498 19906 7167 1 19 . 1 1 4 4 SER CB C 4 63.790 63.790 63.658 0.132 19906 7168 1 19 . 1 1 5 5 GLU N N 5 121.960 121.960 121.722 0.238 19906 7169 1 19 . 1 1 5 5 GLU HA H 5 4.410 4.410 4.334 0.076 19906 7170 1 19 . 1 1 5 5 GLU CA C 5 55.610 55.610 56.786 -1.176 19906 7171 1 19 . 1 1 5 5 GLU CB C 5 31.950 31.950 30.517 1.433 19906 7172 1 19 . 1 1 5 5 GLU H H 5 8.450 8.450 8.114 0.336 19906 7173 1 19 . 1 1 6 6 VAL N N 6 122.170 122.170 124.243 -2.073 19906 7174 1 19 . 1 1 6 6 VAL HA H 6 4.070 4.070 4.555 -0.485 19906 7175 1 19 . 1 1 6 6 VAL CA C 6 56.380 56.380 59.104 -2.724 19906 7176 1 19 . 1 1 6 6 VAL CB C 6 29.500 29.500 34.785 -5.285 19906 7177 1 19 . 1 1 6 6 VAL H H 6 8.260 8.260 8.234 0.026 19906 7178 1 19 . 1 1 9 9 LEU N N 9 123.830 123.830 127.415 -3.585 19906 7179 1 19 . 1 1 9 9 LEU HA H 9 4.490 4.490 4.867 -0.377 19906 7180 1 19 . 1 1 9 9 LEU CA C 9 54.820 54.820 54.943 -0.123 19906 7181 1 19 . 1 1 9 9 LEU CB C 9 41.930 41.930 42.593 -0.663 19906 7182 1 19 . 1 1 9 9 LEU H H 9 7.770 7.770 8.511 -0.741 19906 7183 1 19 . 1 1 11 11 ASP HA H 11 4.730 4.730 4.678 0.052 19906 7184 1 19 . 1 1 11 11 ASP CA C 11 53.060 53.060 52.996 0.064 19906 7185 1 19 . 1 1 11 11 ASP CB C 11 38.110 38.110 41.621 -3.511 19906 7186 1 19 . 1 1 12 12 LEU N N 12 122.730 122.730 121.025 1.705 19906 7187 1 19 . 1 1 12 12 LEU HA H 12 4.660 4.660 4.302 0.358 19906 7188 1 19 . 1 1 12 12 LEU CA C 12 55.130 55.130 56.022 -0.892 19906 7189 1 19 . 1 1 12 12 LEU CB C 12 43.390 43.390 42.641 0.749 19906 7190 1 19 . 1 1 12 12 LEU H H 12 7.420 7.420 8.345 -0.925 19906 7191 1 19 . 1 1 13 13 SER N N 13 120.760 120.760 120.388 0.372 19906 7192 1 19 . 1 1 13 13 SER HA H 13 4.270 4.270 4.797 -0.527 19906 7193 1 19 . 1 1 13 13 SER CA C 13 56.880 56.880 57.123 -0.243 19906 7194 1 19 . 1 1 13 13 SER CB C 13 65.890 65.890 66.291 -0.401 19906 7195 1 19 . 1 1 13 13 SER H H 13 9.020 9.020 8.228 0.792 19906 7196 1 19 . 1 1 14 14 PHE N N 14 119.920 119.920 119.783 0.137 19906 7197 1 19 . 1 1 14 14 PHE HA H 14 5.510 5.510 4.868 0.642 19906 7198 1 19 . 1 1 14 14 PHE CA C 14 56.760 56.760 56.820 -0.060 19906 7199 1 19 . 1 1 14 14 PHE CB C 14 39.930 39.930 41.562 -1.631 19906 7200 1 19 . 1 1 14 14 PHE H H 14 8.370 8.370 8.769 -0.399 19906 7201 1 19 . 1 1 15 15 VAL N N 15 117.820 117.820 117.004 0.816 19906 7202 1 19 . 1 1 15 15 VAL HA H 15 4.680 4.680 4.595 0.085 19906 7203 1 19 . 1 1 15 15 VAL CA C 15 58.880 58.880 60.471 -1.591 19906 7204 1 19 . 1 1 15 15 VAL CB C 15 36.900 36.900 35.192 1.708 19906 7205 1 19 . 1 1 15 15 VAL H H 15 9.100 9.100 8.491 0.609 19906 7206 1 19 . 1 1 16 16 ASP N N 16 116.850 116.850 118.183 -1.333 19906 7207 1 19 . 1 1 16 16 ASP HA H 16 4.190 4.190 4.276 -0.086 19906 7208 1 19 . 1 1 16 16 ASP CA C 16 54.550 54.550 55.614 -1.064 19906 7209 1 19 . 1 1 16 16 ASP CB C 16 38.920 38.920 39.498 -0.578 19906 7210 1 19 . 1 1 16 16 ASP H H 16 8.520 8.520 8.843 -0.323 19906 7211 1 19 . 1 1 17 17 ILE N N 17 118.600 118.600 119.263 -0.663 19906 7212 1 19 . 1 1 17 17 ILE HA H 17 4.150 4.150 3.956 0.194 19906 7213 1 19 . 1 1 17 17 ILE CA C 17 63.190 63.190 63.236 -0.046 19906 7214 1 19 . 1 1 17 17 ILE CB C 17 37.770 37.770 38.680 -0.910 19906 7215 1 19 . 1 1 17 17 ILE H H 17 8.150 8.150 7.979 0.171 19906 7216 1 19 . 1 1 18 18 THR N N 18 122.160 122.160 122.350 -0.190 19906 7217 1 19 . 1 1 18 18 THR HA H 18 4.910 4.910 4.639 0.271 19906 7218 1 19 . 1 1 18 18 THR CA C 18 60.570 60.570 61.562 -0.992 19906 7219 1 19 . 1 1 18 18 THR CB C 18 70.600 70.600 70.343 0.257 19906 7220 1 19 . 1 1 18 18 THR H H 18 8.740 8.740 7.848 0.892 19906 7221 1 19 . 1 1 19 19 ASP N N 19 115.600 115.600 120.192 -4.592 19906 7222 1 19 . 1 1 19 19 ASP HA H 19 4.480 4.480 4.673 -0.193 19906 7223 1 19 . 1 1 19 19 ASP CA C 19 54.880 54.880 55.649 -0.769 19906 7224 1 19 . 1 1 19 19 ASP CB C 19 40.430 40.430 40.836 -0.406 19906 7225 1 19 . 1 1 19 19 ASP H H 19 8.450 8.450 8.377 0.073 19906 7226 1 19 . 1 1 20 20 SER N N 20 108.500 108.500 113.521 -5.021 19906 7227 1 19 . 1 1 20 20 SER HA H 20 4.620 4.620 4.725 -0.105 19906 7228 1 19 . 1 1 20 20 SER CA C 20 57.660 57.660 57.443 0.217 19906 7229 1 19 . 1 1 20 20 SER CB C 20 66.090 66.090 64.200 1.890 19906 7230 1 19 . 1 1 20 20 SER H H 20 8.120 8.120 7.919 0.201 19906 7231 1 19 . 1 1 21 21 SER N N 21 116.590 116.590 115.087 1.503 19906 7232 1 19 . 1 1 21 21 SER HA H 21 5.230 5.230 5.605 -0.375 19906 7233 1 19 . 1 1 21 21 SER CA C 21 56.730 56.730 57.631 -0.901 19906 7234 1 19 . 1 1 21 21 SER CB C 21 66.730 66.730 66.890 -0.160 19906 7235 1 19 . 1 1 21 21 SER H H 21 7.530 7.530 7.564 -0.034 19906 7236 1 19 . 1 1 22 22 ILE N N 22 113.850 113.850 115.769 -1.919 19906 7237 1 19 . 1 1 22 22 ILE HA H 22 4.490 4.490 5.037 -0.547 19906 7238 1 19 . 1 1 22 22 ILE CA C 22 60.320 60.320 59.113 1.207 19906 7239 1 19 . 1 1 22 22 ILE CB C 22 42.650 42.650 42.431 0.219 19906 7240 1 19 . 1 1 22 22 ILE H H 22 8.210 8.210 8.229 -0.019 19906 7241 1 19 . 1 1 23 23 GLY N N 23 112.950 112.950 111.615 1.335 19906 7242 1 19 . 1 1 23 23 GLY CA C 23 44.110 44.110 44.106 0.004 19906 7243 1 19 . 1 1 23 23 GLY H H 23 8.300 8.300 8.755 -0.455 19906 7244 1 19 . 1 1 24 24 LEU N N 24 123.740 123.740 125.866 -2.126 19906 7245 1 19 . 1 1 24 24 LEU HA H 24 4.820 4.820 4.241 0.579 19906 7246 1 19 . 1 1 24 24 LEU CA C 24 53.930 53.930 55.525 -1.595 19906 7247 1 19 . 1 1 24 24 LEU CB C 24 42.470 42.470 42.116 0.354 19906 7248 1 19 . 1 1 24 24 LEU H H 24 8.820 8.820 7.862 0.958 19906 7249 1 19 . 1 1 25 25 ARG N N 25 119.980 119.980 124.150 -4.170 19906 7250 1 19 . 1 1 25 25 ARG HA H 25 4.890 4.890 4.420 0.470 19906 7251 1 19 . 1 1 25 25 ARG CA C 25 54.040 54.040 54.938 -0.898 19906 7252 1 19 . 1 1 25 25 ARG CB C 25 33.850 33.850 34.457 -0.607 19906 7253 1 19 . 1 1 25 25 ARG H H 25 8.570 8.570 7.951 0.619 19906 7254 1 19 . 1 1 26 26 TRP N N 26 122.480 122.480 123.776 -1.296 19906 7255 1 19 . 1 1 26 26 TRP HA H 26 4.840 4.840 5.020 -0.180 19906 7256 1 19 . 1 1 26 26 TRP CA C 26 56.790 56.790 56.081 0.709 19906 7257 1 19 . 1 1 26 26 TRP CB C 26 31.460 31.460 31.015 0.445 19906 7258 1 19 . 1 1 26 26 TRP H H 26 7.960 7.960 7.382 0.578 19906 7259 1 19 . 1 1 27 27 THR N N 27 119.820 119.820 117.221 2.599 19906 7260 1 19 . 1 1 27 27 THR HA H 27 4.750 4.750 4.693 0.057 19906 7261 1 19 . 1 1 27 27 THR CA C 27 60.690 60.690 59.715 0.975 19906 7262 1 19 . 1 1 27 27 THR CB C 27 68.460 68.460 68.980 -0.520 19906 7263 1 19 . 1 1 27 27 THR H H 27 9.780 9.780 8.277 1.503 19906 7264 1 19 . 1 1 28 28 PRO HA H 28 4.470 4.470 4.441 0.029 19906 7265 1 19 . 1 1 28 28 PRO CA C 28 63.260 63.260 63.238 0.022 19906 7266 1 19 . 1 1 28 28 PRO CB C 28 31.980 31.980 32.311 -0.331 19906 7267 1 19 . 1 1 29 29 LEU N N 29 124.220 124.220 122.635 1.585 19906 7268 1 19 . 1 1 29 29 LEU HA H 29 4.490 4.490 4.464 0.026 19906 7269 1 19 . 1 1 29 29 LEU CA C 29 54.150 54.150 54.858 -0.708 19906 7270 1 19 . 1 1 29 29 LEU CB C 29 43.040 43.040 42.200 0.840 19906 7271 1 19 . 1 1 29 29 LEU H H 29 8.570 8.570 8.273 0.297 19906 7272 1 19 . 1 1 30 30 ASN N N 30 119.950 119.950 121.012 -1.062 19906 7273 1 19 . 1 1 30 30 ASN HA H 30 4.700 4.700 4.415 0.285 19906 7274 1 19 . 1 1 30 30 ASN CA C 30 53.570 53.570 55.493 -1.923 19906 7275 1 19 . 1 1 30 30 ASN CB C 30 38.340 38.340 38.643 -0.303 19906 7276 1 19 . 1 1 30 30 ASN H H 30 8.630 8.630 8.896 -0.266 19906 7277 1 19 . 1 1 31 31 SER N N 31 114.290 114.290 115.144 -0.854 19906 7278 1 19 . 1 1 31 31 SER HA H 31 4.560 4.560 4.479 0.081 19906 7279 1 19 . 1 1 31 31 SER CA C 31 57.500 57.500 59.411 -1.911 19906 7280 1 19 . 1 1 31 31 SER CB C 31 63.480 63.480 63.404 0.076 19906 7281 1 19 . 1 1 31 31 SER H H 31 8.090 8.090 8.399 -0.309 19906 7282 1 19 . 1 1 32 32 SER HA H 32 4.560 4.560 4.419 0.141 19906 7283 1 19 . 1 1 32 32 SER CA C 32 58.140 58.140 58.595 -0.455 19906 7284 1 19 . 1 1 32 32 SER CB C 32 63.730 63.730 63.905 -0.175 19906 7285 1 19 . 1 1 33 33 THR N N 33 114.160 114.160 118.336 -4.176 19906 7286 1 19 . 1 1 33 33 THR HA H 33 4.300 4.300 4.210 0.090 19906 7287 1 19 . 1 1 33 33 THR CA C 33 63.620 63.620 63.376 0.244 19906 7288 1 19 . 1 1 33 33 THR CB C 33 69.530 69.530 69.285 0.245 19906 7289 1 19 . 1 1 33 33 THR H H 33 8.000 8.000 8.176 -0.176 19906 7290 1 19 . 1 1 34 34 ILE N N 34 121.090 121.090 126.946 -5.856 19906 7291 1 19 . 1 1 34 34 ILE HA H 34 4.300 4.300 4.271 0.029 19906 7292 1 19 . 1 1 34 34 ILE CA C 34 61.920 61.920 60.318 1.602 19906 7293 1 19 . 1 1 34 34 ILE CB C 34 38.080 38.080 36.061 2.019 19906 7294 1 19 . 1 1 34 34 ILE H H 34 7.980 7.980 8.436 -0.456 19906 7295 1 19 . 1 1 35 35 ILE N N 35 126.230 126.230 121.172 5.058 19906 7296 1 19 . 1 1 35 35 ILE HA H 35 4.220 4.220 4.393 -0.173 19906 7297 1 19 . 1 1 35 35 ILE CA C 35 61.720 61.720 58.739 2.981 19906 7298 1 19 . 1 1 35 35 ILE CB C 35 38.790 38.790 41.301 -2.511 19906 7299 1 19 . 1 1 35 35 ILE H H 35 8.810 8.810 7.332 1.478 19906 7300 1 19 . 1 1 36 36 GLY CA C 36 45.520 45.520 45.701 -0.181 19906 7301 1 19 . 1 1 37 37 TYR N N 37 120.400 120.400 124.029 -3.629 19906 7302 1 19 . 1 1 37 37 TYR HA H 37 5.070 5.070 4.615 0.455 19906 7303 1 19 . 1 1 37 37 TYR CA C 37 57.930 57.930 57.557 0.373 19906 7304 1 19 . 1 1 37 37 TYR CB C 37 38.950 38.950 41.535 -2.586 19906 7305 1 19 . 1 1 37 37 TYR H H 37 7.340 7.340 8.360 -1.020 19906 7306 1 19 . 1 1 38 38 ARG HA H 38 5.150 5.150 4.830 0.320 19906 7307 1 19 . 1 1 38 38 ARG CA C 38 54.450 54.450 54.646 -0.196 19906 7308 1 19 . 1 1 38 38 ARG CB C 38 31.530 31.530 33.490 -1.960 19906 7309 1 19 . 1 1 39 39 ILE N N 39 129.570 129.570 124.122 5.448 19906 7310 1 19 . 1 1 39 39 ILE HA H 39 5.060 5.060 4.498 0.562 19906 7311 1 19 . 1 1 39 39 ILE CA C 39 60.030 60.030 59.953 0.077 19906 7312 1 19 . 1 1 39 39 ILE CB C 39 40.780 40.780 38.406 2.374 19906 7313 1 19 . 1 1 39 39 ILE H H 39 9.040 9.040 8.080 0.960 19906 7314 1 19 . 1 1 40 40 THR N N 40 120.430 120.430 122.970 -2.540 19906 7315 1 19 . 1 1 40 40 THR HA H 40 5.210 5.210 4.575 0.635 19906 7316 1 19 . 1 1 40 40 THR CA C 40 61.130 61.130 62.253 -1.123 19906 7317 1 19 . 1 1 40 40 THR CB C 40 71.090 71.090 70.336 0.754 19906 7318 1 19 . 1 1 40 40 THR H H 40 8.880 8.880 8.093 0.787 19906 7319 1 19 . 1 1 41 41 VAL HA H 41 5.030 5.030 4.551 0.479 19906 7320 1 19 . 1 1 41 41 VAL CA C 41 61.280 61.280 60.168 1.112 19906 7321 1 19 . 1 1 41 41 VAL CB C 41 33.800 33.800 35.155 -1.355 19906 7322 1 19 . 1 1 41 41 VAL H H 41 8.820 8.820 8.510 0.310 19906 7323 1 19 . 1 1 42 42 VAL N N 42 127.670 127.670 126.721 0.949 19906 7324 1 19 . 1 1 42 42 VAL HA H 42 4.650 4.650 4.348 0.302 19906 7325 1 19 . 1 1 42 42 VAL CA C 42 60.320 60.320 60.191 0.129 19906 7326 1 19 . 1 1 42 42 VAL CB C 42 35.800 35.800 36.248 -0.448 19906 7327 1 19 . 1 1 42 42 VAL H H 42 9.100 9.100 9.224 -0.124 19906 7328 1 19 . 1 1 43 43 ALA N N 43 131.340 131.340 128.422 2.918 19906 7329 1 19 . 1 1 43 43 ALA HA H 43 4.410 4.410 3.729 0.681 19906 7330 1 19 . 1 1 43 43 ALA CA C 43 52.420 52.420 50.826 1.594 19906 7331 1 19 . 1 1 43 43 ALA CB C 43 18.750 18.750 19.801 -1.051 19906 7332 1 19 . 1 1 43 43 ALA H H 43 9.420 9.420 8.454 0.966 19906 7333 1 19 . 1 1 44 44 ALA N N 44 126.040 126.040 125.491 0.549 19906 7334 1 19 . 1 1 44 44 ALA HA H 44 4.120 4.120 4.235 -0.115 19906 7335 1 19 . 1 1 44 44 ALA CA C 44 53.790 53.790 53.487 0.303 19906 7336 1 19 . 1 1 44 44 ALA CB C 44 18.680 18.680 19.859 -1.179 19906 7337 1 19 . 1 1 44 44 ALA H H 44 8.260 8.260 7.901 0.359 19906 7338 1 19 . 1 1 45 45 GLY CA C 45 45.620 45.620 45.531 0.089 19906 7339 1 19 . 1 1 45 45 GLY H H 45 8.700 8.700 7.833 0.867 19906 7340 1 19 . 1 1 46 46 GLU N N 46 119.650 119.650 119.541 0.109 19906 7341 1 19 . 1 1 46 46 GLU HA H 46 4.470 4.470 4.423 0.047 19906 7342 1 19 . 1 1 46 46 GLU CA C 46 55.870 55.870 55.619 0.251 19906 7343 1 19 . 1 1 46 46 GLU CB C 46 30.520 30.520 29.859 0.661 19906 7344 1 19 . 1 1 46 46 GLU H H 46 8.110 8.110 7.470 0.640 19906 7345 1 19 . 1 1 47 47 GLY N N 47 107.160 107.160 110.747 -3.587 19906 7346 1 19 . 1 1 47 47 GLY CA C 47 45.910 45.910 45.991 -0.081 19906 7347 1 19 . 1 1 47 47 GLY H H 47 8.400 8.400 8.692 -0.292 19906 7348 1 19 . 1 1 48 48 ILE N N 48 120.010 120.010 121.473 -1.463 19906 7349 1 19 . 1 1 48 48 ILE HA H 48 4.620 4.620 4.418 0.202 19906 7350 1 19 . 1 1 48 48 ILE CA C 48 58.500 58.500 57.636 0.863 19906 7351 1 19 . 1 1 48 48 ILE CB C 48 39.400 39.400 39.833 -0.433 19906 7352 1 19 . 1 1 48 48 ILE H H 48 7.440 7.440 7.607 -0.167 19906 7353 1 19 . 1 1 49 49 PRO HA H 49 4.530 4.530 4.586 -0.056 19906 7354 1 19 . 1 1 49 49 PRO CA C 49 63.590 63.590 62.091 1.499 19906 7355 1 19 . 1 1 49 49 PRO CB C 49 31.880 31.880 32.727 -0.847 19906 7356 1 19 . 1 1 50 50 ILE N N 50 122.120 122.120 119.880 2.240 19906 7357 1 19 . 1 1 50 50 ILE HA H 50 4.150 4.150 4.034 0.116 19906 7358 1 19 . 1 1 50 50 ILE CA C 50 63.310 63.310 61.153 2.157 19906 7359 1 19 . 1 1 50 50 ILE CB C 50 38.020 38.020 38.897 -0.877 19906 7360 1 19 . 1 1 50 50 ILE H H 50 8.720 8.720 8.022 0.698 19906 7361 1 19 . 1 1 51 51 PHE HA H 51 4.770 4.770 4.339 0.431 19906 7362 1 19 . 1 1 51 51 PHE CA C 51 57.900 57.900 58.443 -0.543 19906 7363 1 19 . 1 1 51 51 PHE CB C 51 41.870 41.870 39.606 2.264 19906 7364 1 19 . 1 1 52 52 GLU HA H 52 5.350 5.350 4.271 1.079 19906 7365 1 19 . 1 1 52 52 GLU CA C 52 55.140 55.140 55.754 -0.614 19906 7366 1 19 . 1 1 52 52 GLU CB C 52 32.030 32.030 31.360 0.670 19906 7367 1 19 . 1 1 53 53 ASP N N 53 122.750 122.750 120.839 1.911 19906 7368 1 19 . 1 1 53 53 ASP HA H 53 5.000 5.000 4.802 0.198 19906 7369 1 19 . 1 1 53 53 ASP CA C 53 52.950 52.950 52.626 0.324 19906 7370 1 19 . 1 1 53 53 ASP CB C 53 44.770 44.770 44.685 0.085 19906 7371 1 19 . 1 1 53 53 ASP H H 53 8.850 8.850 7.736 1.114 19906 7372 1 19 . 1 1 54 54 PHE N N 54 121.100 121.100 117.748 3.352 19906 7373 1 19 . 1 1 54 54 PHE HA H 54 5.380 5.380 5.293 0.087 19906 7374 1 19 . 1 1 54 54 PHE CA C 54 56.180 56.180 56.244 -0.064 19906 7375 1 19 . 1 1 54 54 PHE CB C 54 42.110 42.110 41.315 0.796 19906 7376 1 19 . 1 1 54 54 PHE H H 54 8.770 8.770 8.608 0.162 19906 7377 1 19 . 1 1 55 55 VAL N N 55 125.760 125.760 123.597 2.163 19906 7378 1 19 . 1 1 55 55 VAL HA H 55 4.320 4.320 4.535 -0.215 19906 7379 1 19 . 1 1 55 55 VAL CA C 55 59.140 59.140 59.762 -0.622 19906 7380 1 19 . 1 1 55 55 VAL CB C 55 34.940 34.940 35.849 -0.909 19906 7381 1 19 . 1 1 55 55 VAL H H 55 8.290 8.290 8.515 -0.225 19906 7382 1 19 . 1 1 56 56 ASP N N 56 127.100 127.100 128.887 -1.787 19906 7383 1 19 . 1 1 56 56 ASP HA H 56 4.560 4.560 4.602 -0.042 19906 7384 1 19 . 1 1 56 56 ASP CA C 56 54.980 54.980 54.982 -0.002 19906 7385 1 19 . 1 1 56 56 ASP CB C 56 42.730 42.730 41.579 1.151 19906 7386 1 19 . 1 1 56 56 ASP H H 56 8.460 8.460 8.782 -0.322 19906 7387 1 19 . 1 1 57 57 SER N N 57 119.630 119.630 118.114 1.516 19906 7388 1 19 . 1 1 57 57 SER HA H 57 4.330 4.330 4.598 -0.268 19906 7389 1 19 . 1 1 57 57 SER CA C 57 60.630 60.630 61.288 -0.658 19906 7390 1 19 . 1 1 57 57 SER CB C 57 62.680 62.680 63.428 -0.749 19906 7391 1 19 . 1 1 57 57 SER H H 57 8.260 8.260 8.773 -0.513 19906 7392 1 19 . 1 1 58 58 SER N N 58 117.030 117.030 114.826 2.204 19906 7393 1 19 . 1 1 58 58 SER HA H 58 4.400 4.400 4.315 0.085 19906 7394 1 19 . 1 1 58 58 SER CA C 58 60.430 60.430 60.528 -0.098 19906 7395 1 19 . 1 1 58 58 SER CB C 58 63.700 63.700 63.161 0.539 19906 7396 1 19 . 1 1 58 58 SER H H 58 9.080 9.080 8.131 0.949 19906 7397 1 19 . 1 1 59 59 VAL N N 59 119.350 119.350 120.373 -1.023 19906 7398 1 19 . 1 1 59 59 VAL HA H 59 3.790 3.790 3.920 -0.130 19906 7399 1 19 . 1 1 59 59 VAL CA C 59 65.670 65.670 64.284 1.385 19906 7400 1 19 . 1 1 59 59 VAL CB C 59 32.400 32.400 32.069 0.331 19906 7401 1 19 . 1 1 59 59 VAL H H 59 7.570 7.570 7.574 -0.004 19906 7402 1 19 . 1 1 60 60 GLY N N 60 104.070 104.070 106.300 -2.230 19906 7403 1 19 . 1 1 60 60 GLY CA C 60 44.430 44.430 45.492 -1.062 19906 7404 1 19 . 1 1 60 60 GLY H H 60 6.120 6.120 7.834 -1.714 19906 7405 1 19 . 1 1 61 61 TYR N N 61 117.690 117.690 117.381 0.309 19906 7406 1 19 . 1 1 61 61 TYR HA H 61 5.030 5.030 4.566 0.464 19906 7407 1 19 . 1 1 61 61 TYR CA C 61 56.320 56.320 56.302 0.018 19906 7408 1 19 . 1 1 61 61 TYR CB C 61 41.700 41.700 40.976 0.724 19906 7409 1 19 . 1 1 61 61 TYR H H 61 6.080 6.080 7.248 -1.168 19906 7410 1 19 . 1 1 62 62 TYR N N 62 126.650 126.650 124.671 1.979 19906 7411 1 19 . 1 1 62 62 TYR HA H 62 4.440 4.440 4.311 0.129 19906 7412 1 19 . 1 1 62 62 TYR CA C 62 58.560 58.560 57.396 1.164 19906 7413 1 19 . 1 1 62 62 TYR CB C 62 43.550 43.550 43.178 0.372 19906 7414 1 19 . 1 1 62 62 TYR H H 62 8.440 8.440 7.794 0.646 19906 7415 1 19 . 1 1 63 63 THR N N 63 122.160 122.160 118.634 3.526 19906 7416 1 19 . 1 1 63 63 THR HA H 63 4.780 4.780 4.788 -0.008 19906 7417 1 19 . 1 1 63 63 THR CA C 63 61.610 61.610 60.302 1.308 19906 7418 1 19 . 1 1 63 63 THR CB C 63 69.810 69.810 70.544 -0.734 19906 7419 1 19 . 1 1 63 63 THR H H 63 7.380 7.380 6.947 0.433 19906 7420 1 19 . 1 1 64 64 VAL N N 64 127.940 127.940 124.587 3.353 19906 7421 1 19 . 1 1 64 64 VAL HA H 64 3.660 3.660 4.628 -0.968 19906 7422 1 19 . 1 1 64 64 VAL CA C 64 61.840 61.840 60.037 1.803 19906 7423 1 19 . 1 1 64 64 VAL CB C 64 31.840 31.840 33.239 -1.399 19906 7424 1 19 . 1 1 64 64 VAL H H 64 8.860 8.860 8.302 0.558 19906 7425 1 19 . 1 1 65 65 THR N N 65 116.150 116.150 115.296 0.854 19906 7426 1 19 . 1 1 65 65 THR HA H 65 4.640 4.640 5.207 -0.567 19906 7427 1 19 . 1 1 65 65 THR CA C 65 59.470 59.470 60.138 -0.668 19906 7428 1 19 . 1 1 65 65 THR CB C 65 71.160 71.160 71.544 -0.384 19906 7429 1 19 . 1 1 65 65 THR H H 65 7.290 7.290 8.205 -0.915 19906 7430 1 19 . 1 1 66 66 GLY N N 66 105.560 105.560 109.957 -4.397 19906 7431 1 19 . 1 1 66 66 GLY CA C 66 45.860 45.860 44.950 0.910 19906 7432 1 19 . 1 1 66 66 GLY H H 66 8.450 8.450 8.524 -0.074 19906 7433 1 19 . 1 1 67 67 LEU N N 67 119.080 119.080 120.916 -1.836 19906 7434 1 19 . 1 1 67 67 LEU HA H 67 4.180 4.180 3.912 0.268 19906 7435 1 19 . 1 1 67 67 LEU CA C 67 53.380 53.380 52.797 0.583 19906 7436 1 19 . 1 1 67 67 LEU CB C 67 41.630 41.630 41.375 0.255 19906 7437 1 19 . 1 1 67 67 LEU H H 67 7.850 7.850 7.585 0.265 19906 7438 1 19 . 1 1 68 68 GLU N N 68 120.030 120.030 124.452 -4.422 19906 7439 1 19 . 1 1 68 68 GLU HA H 68 4.920 4.920 4.237 0.683 19906 7440 1 19 . 1 1 68 68 GLU CA C 68 52.510 52.510 55.252 -2.742 19906 7441 1 19 . 1 1 68 68 GLU CB C 68 31.040 31.040 28.948 2.092 19906 7442 1 19 . 1 1 68 68 GLU H H 68 8.500 8.500 7.941 0.559 19906 7443 1 19 . 1 1 69 69 PRO HA H 69 4.470 4.470 4.442 0.028 19906 7444 1 19 . 1 1 69 69 PRO CA C 69 62.740 62.740 63.106 -0.366 19906 7445 1 19 . 1 1 69 69 PRO CB C 69 31.410 31.410 32.094 -0.684 19906 7446 1 19 . 1 1 70 70 GLY N N 70 106.940 106.940 110.016 -3.076 19906 7447 1 19 . 1 1 70 70 GLY CA C 70 45.830 45.830 45.444 0.386 19906 7448 1 19 . 1 1 70 70 GLY H H 70 8.500 8.500 8.801 -0.301 19906 7449 1 19 . 1 1 71 71 ILE N N 71 120.080 120.080 120.376 -0.296 19906 7450 1 19 . 1 1 71 71 ILE HA H 71 4.080 4.080 4.273 -0.193 19906 7451 1 19 . 1 1 71 71 ILE CA C 71 58.710 58.710 59.985 -1.275 19906 7452 1 19 . 1 1 71 71 ILE CB C 71 40.410 40.410 40.631 -0.221 19906 7453 1 19 . 1 1 71 71 ILE H H 71 7.510 7.510 7.559 -0.049 19906 7454 1 19 . 1 1 72 72 ASP N N 72 124.920 124.920 126.503 -1.583 19906 7455 1 19 . 1 1 72 72 ASP HA H 72 4.930 4.930 4.664 0.266 19906 7456 1 19 . 1 1 72 72 ASP CA C 72 54.260 54.260 53.597 0.663 19906 7457 1 19 . 1 1 72 72 ASP CB C 72 41.120 41.120 41.262 -0.142 19906 7458 1 19 . 1 1 72 72 ASP H H 72 8.190 8.190 8.529 -0.339 19906 7459 1 19 . 1 1 73 73 TYR N N 73 122.440 122.440 125.251 -2.811 19906 7460 1 19 . 1 1 73 73 TYR HA H 73 5.070 5.070 4.754 0.316 19906 7461 1 19 . 1 1 73 73 TYR CA C 73 57.390 57.390 57.746 -0.356 19906 7462 1 19 . 1 1 73 73 TYR CB C 73 40.550 40.550 40.466 0.084 19906 7463 1 19 . 1 1 73 73 TYR H H 73 9.310 9.310 8.388 0.922 19906 7464 1 19 . 1 1 74 74 ASP N N 74 122.980 122.980 124.985 -2.005 19906 7465 1 19 . 1 1 74 74 ASP HA H 74 5.220 5.220 4.882 0.338 19906 7466 1 19 . 1 1 74 74 ASP CA C 74 53.900 53.900 54.108 -0.208 19906 7467 1 19 . 1 1 74 74 ASP CB C 74 42.120 42.120 41.526 0.594 19906 7468 1 19 . 1 1 74 74 ASP H H 74 9.290 9.290 8.799 0.491 19906 7469 1 19 . 1 1 75 75 ILE N N 75 124.270 124.270 119.764 4.506 19906 7470 1 19 . 1 1 75 75 ILE HA H 75 5.470 5.470 4.726 0.744 19906 7471 1 19 . 1 1 75 75 ILE CA C 75 58.400 58.400 58.404 -0.004 19906 7472 1 19 . 1 1 75 75 ILE CB C 75 40.900 40.900 40.476 0.424 19906 7473 1 19 . 1 1 75 75 ILE H H 75 8.810 8.810 8.325 0.485 19906 7474 1 19 . 1 1 76 76 SER N N 76 121.300 121.300 116.867 4.433 19906 7475 1 19 . 1 1 76 76 SER HA H 76 5.800 5.800 4.632 1.168 19906 7476 1 19 . 1 1 76 76 SER CA C 76 56.340 56.340 58.403 -2.063 19906 7477 1 19 . 1 1 76 76 SER CB C 76 66.180 66.180 65.212 0.968 19906 7478 1 19 . 1 1 76 76 SER H H 76 8.760 8.760 8.578 0.182 19906 7479 1 19 . 1 1 77 77 VAL N N 77 124.740 124.740 125.478 -0.738 19906 7480 1 19 . 1 1 77 77 VAL HA H 77 4.760 4.760 4.141 0.619 19906 7481 1 19 . 1 1 77 77 VAL CA C 77 61.190 61.190 61.397 -0.207 19906 7482 1 19 . 1 1 77 77 VAL CB C 77 33.270 33.270 31.327 1.943 19906 7483 1 19 . 1 1 77 77 VAL H H 77 9.420 9.420 8.451 0.969 19906 7484 1 19 . 1 1 78 78 ILE N N 78 126.300 126.300 129.266 -2.966 19906 7485 1 19 . 1 1 78 78 ILE HA H 78 4.710 4.710 4.154 0.556 19906 7486 1 19 . 1 1 78 78 ILE CA C 78 61.160 61.160 60.925 0.235 19906 7487 1 19 . 1 1 78 78 ILE CB C 78 41.050 41.050 38.770 2.280 19906 7488 1 19 . 1 1 78 78 ILE H H 78 9.370 9.370 8.157 1.213 19906 7489 1 19 . 1 1 79 79 THR N N 79 122.350 122.350 123.465 -1.115 19906 7490 1 19 . 1 1 79 79 THR HA H 79 4.280 4.280 4.545 -0.265 19906 7491 1 19 . 1 1 79 79 THR CA C 79 64.260 64.260 61.854 2.406 19906 7492 1 19 . 1 1 79 79 THR CB C 79 69.130 69.130 69.444 -0.314 19906 7493 1 19 . 1 1 79 79 THR H H 79 8.550 8.550 8.476 0.074 19906 7494 1 19 . 1 1 80 80 LEU N N 80 128.900 128.900 129.754 -0.854 19906 7495 1 19 . 1 1 80 80 LEU HA H 80 4.730 4.730 4.695 0.035 19906 7496 1 19 . 1 1 80 80 LEU CA C 80 54.060 54.060 54.283 -0.223 19906 7497 1 19 . 1 1 80 80 LEU CB C 80 41.470 41.470 44.007 -2.537 19906 7498 1 19 . 1 1 80 80 LEU H H 80 8.660 8.660 8.796 -0.136 19906 7499 1 19 . 1 1 81 81 ILE N N 81 121.640 121.640 119.030 2.610 19906 7500 1 19 . 1 1 81 81 ILE HA H 81 4.870 4.870 4.376 0.494 19906 7501 1 19 . 1 1 81 81 ILE CA C 81 59.300 59.300 59.892 -0.592 19906 7502 1 19 . 1 1 81 81 ILE CB C 81 40.510 40.510 41.266 -0.756 19906 7503 1 19 . 1 1 81 81 ILE H H 81 8.350 8.350 8.194 0.156 19906 7504 1 19 . 1 1 82 82 ASN N N 82 123.240 123.240 124.691 -1.451 19906 7505 1 19 . 1 1 82 82 ASN HA H 82 4.640 4.640 4.464 0.176 19906 7506 1 19 . 1 1 82 82 ASN CA C 82 53.450 53.450 55.130 -1.680 19906 7507 1 19 . 1 1 82 82 ASN CB C 82 38.940 38.940 38.828 0.112 19906 7508 1 19 . 1 1 82 82 ASN H H 82 8.820 8.820 8.837 -0.017 19906 7509 1 19 . 1 1 83 83 GLY N N 83 112.680 112.680 110.033 2.647 19906 7510 1 19 . 1 1 83 83 GLY CA C 83 45.420 45.420 45.655 -0.235 19906 7511 1 19 . 1 1 83 83 GLY H H 83 8.630 8.630 8.161 0.469 19906 7512 1 19 . 1 1 84 84 GLY N N 84 108.560 108.560 110.869 -2.309 19906 7513 1 19 . 1 1 84 84 GLY CA C 84 45.190 45.190 45.193 -0.003 19906 7514 1 19 . 1 1 84 84 GLY H H 84 8.280 8.280 8.504 -0.224 19906 7515 1 19 . 1 1 85 85 GLU N N 85 120.690 120.690 122.470 -1.780 19906 7516 1 19 . 1 1 85 85 GLU HA H 85 4.320 4.320 4.532 -0.212 19906 7517 1 19 . 1 1 85 85 GLU CA C 85 56.480 56.480 55.682 0.798 19906 7518 1 19 . 1 1 85 85 GLU CB C 85 30.480 30.480 31.647 -1.167 19906 7519 1 19 . 1 1 85 85 GLU H H 85 8.460 8.460 8.534 -0.074 19906 7520 1 19 . 1 1 86 86 SER N N 86 116.860 116.860 119.992 -3.132 19906 7521 1 19 . 1 1 86 86 SER HA H 86 4.430 4.430 4.409 0.021 19906 7522 1 19 . 1 1 86 86 SER CA C 86 57.920 57.920 58.288 -0.368 19906 7523 1 19 . 1 1 86 86 SER CB C 86 63.720 63.720 63.747 -0.027 19906 7524 1 19 . 1 1 86 86 SER H H 86 8.350 8.350 8.515 -0.165 19906 7525 1 19 . 1 1 87 87 ALA N N 87 126.890 126.890 121.651 5.239 19906 7526 1 19 . 1 1 87 87 ALA HA H 87 4.580 4.580 4.197 0.383 19906 7527 1 19 . 1 1 87 87 ALA CA C 87 50.450 50.450 51.856 -1.406 19906 7528 1 19 . 1 1 87 87 ALA CB C 87 18.110 18.110 16.974 1.136 19906 7529 1 19 . 1 1 87 87 ALA H H 87 8.240 8.240 8.525 -0.285 19906 7530 1 19 . 1 1 88 88 PRO HA H 88 4.470 4.470 4.492 -0.022 19906 7531 1 19 . 1 1 88 88 PRO CA C 88 62.960 62.960 62.495 0.465 19906 7532 1 19 . 1 1 88 88 PRO CB C 88 31.460 31.460 32.204 -0.744 19906 7533 1 19 . 1 1 89 89 THR N N 89 114.280 114.280 118.829 -4.549 19906 7534 1 19 . 1 1 89 89 THR HA H 89 4.340 4.340 4.551 -0.211 19906 7535 1 19 . 1 1 89 89 THR CA C 89 62.320 62.320 62.782 -0.462 19906 7536 1 19 . 1 1 89 89 THR CB C 89 69.530 69.530 69.252 0.278 19906 7537 1 19 . 1 1 89 89 THR H H 89 8.270 8.270 8.370 -0.100 19906 7538 1 19 . 1 1 90 90 THR N N 90 116.290 116.290 118.174 -1.884 19906 7539 1 19 . 1 1 90 90 THR HA H 90 4.330 4.330 4.478 -0.148 19906 7540 1 19 . 1 1 90 90 THR CA C 90 61.890 61.890 61.561 0.329 19906 7541 1 19 . 1 1 90 90 THR CB C 90 69.500 69.500 69.940 -0.440 19906 7542 1 19 . 1 1 90 90 THR H H 90 8.090 8.090 8.275 -0.185 19906 7543 1 19 . 1 1 91 91 LEU N N 91 124.660 124.660 125.544 -0.884 19906 7544 1 19 . 1 1 91 91 LEU HA H 91 4.410 4.410 4.495 -0.085 19906 7545 1 19 . 1 1 91 91 LEU CA C 91 55.590 55.590 55.034 0.556 19906 7546 1 19 . 1 1 91 91 LEU CB C 91 41.600 41.600 42.613 -1.013 19906 7547 1 19 . 1 1 91 91 LEU H H 91 8.290 8.290 8.328 -0.038 19906 7548 1 19 . 1 1 92 92 THR N N 92 115.030 115.030 114.277 0.753 19906 7549 1 19 . 1 1 92 92 THR HA H 92 4.300 4.300 4.300 0.000 19906 7550 1 19 . 1 1 92 92 THR CA C 92 61.890 61.890 61.521 0.369 19906 7551 1 19 . 1 1 92 92 THR CB C 92 69.500 69.500 69.707 -0.207 19906 7552 1 19 . 1 1 92 92 THR H H 92 8.100 8.100 8.069 0.031 19906 7553 1 19 . 1 1 93 93 GLN N N 93 123.200 123.200 121.251 1.949 19906 7554 1 19 . 1 1 93 93 GLN HA H 93 4.350 4.350 4.171 0.179 19906 7555 1 19 . 1 1 93 93 GLN CA C 93 55.720 55.720 56.806 -1.086 19906 7556 1 19 . 1 1 93 93 GLN CB C 93 29.050 29.050 28.851 0.199 19906 7557 1 19 . 1 1 93 93 GLN H H 93 8.380 8.380 8.432 -0.052 19906 7558 1 19 . 1 1 94 94 GLN N N 94 122.720 122.720 125.336 -2.616 19906 7559 1 19 . 1 1 94 94 GLN HA H 94 4.400 4.400 4.149 0.251 19906 7560 1 19 . 1 1 94 94 GLN CA C 94 55.780 55.780 57.326 -1.546 19906 7561 1 19 . 1 1 94 94 GLN CB C 94 29.100 29.100 28.937 0.163 19906 7562 1 19 . 1 1 94 94 GLN H H 94 8.480 8.480 8.701 -0.221 19906 7563 1 20 . 1 1 4 4 SER HA H 4 4.400 4.400 4.284 0.116 19906 7564 1 20 . 1 1 4 4 SER CA C 4 58.290 58.290 59.644 -1.354 19906 7565 1 20 . 1 1 4 4 SER CB C 4 63.790 63.790 63.622 0.168 19906 7566 1 20 . 1 1 5 5 GLU N N 5 121.960 121.960 120.200 1.760 19906 7567 1 20 . 1 1 5 5 GLU HA H 5 4.410 4.410 4.592 -0.182 19906 7568 1 20 . 1 1 5 5 GLU CA C 5 55.610 55.610 55.948 -0.338 19906 7569 1 20 . 1 1 5 5 GLU CB C 5 31.950 31.950 29.604 2.346 19906 7570 1 20 . 1 1 5 5 GLU H H 5 8.450 8.450 8.372 0.078 19906 7571 1 20 . 1 1 6 6 VAL N N 6 122.170 122.170 121.410 0.760 19906 7572 1 20 . 1 1 6 6 VAL HA H 6 4.070 4.070 4.508 -0.438 19906 7573 1 20 . 1 1 6 6 VAL CA C 6 56.380 56.380 58.818 -2.438 19906 7574 1 20 . 1 1 6 6 VAL CB C 6 29.500 29.500 32.220 -2.720 19906 7575 1 20 . 1 1 6 6 VAL H H 6 8.260 8.260 7.779 0.481 19906 7576 1 20 . 1 1 9 9 LEU N N 9 123.830 123.830 120.397 3.433 19906 7577 1 20 . 1 1 9 9 LEU HA H 9 4.490 4.490 4.856 -0.366 19906 7578 1 20 . 1 1 9 9 LEU CA C 9 54.820 54.820 54.650 0.170 19906 7579 1 20 . 1 1 9 9 LEU CB C 9 41.930 41.930 42.995 -1.065 19906 7580 1 20 . 1 1 9 9 LEU H H 9 7.770 7.770 8.198 -0.428 19906 7581 1 20 . 1 1 11 11 ASP HA H 11 4.730 4.730 4.653 0.077 19906 7582 1 20 . 1 1 11 11 ASP CA C 11 53.060 53.060 53.028 0.032 19906 7583 1 20 . 1 1 11 11 ASP CB C 11 38.110 38.110 41.100 -2.990 19906 7584 1 20 . 1 1 12 12 LEU N N 12 122.730 122.730 120.753 1.977 19906 7585 1 20 . 1 1 12 12 LEU HA H 12 4.660 4.660 4.304 0.356 19906 7586 1 20 . 1 1 12 12 LEU CA C 12 55.130 55.130 55.932 -0.802 19906 7587 1 20 . 1 1 12 12 LEU CB C 12 43.390 43.390 42.704 0.686 19906 7588 1 20 . 1 1 12 12 LEU H H 12 7.420 7.420 8.331 -0.911 19906 7589 1 20 . 1 1 13 13 SER N N 13 120.760 120.760 119.719 1.041 19906 7590 1 20 . 1 1 13 13 SER HA H 13 4.270 4.270 4.656 -0.386 19906 7591 1 20 . 1 1 13 13 SER CA C 13 56.880 56.880 57.324 -0.444 19906 7592 1 20 . 1 1 13 13 SER CB C 13 65.890 65.890 66.033 -0.143 19906 7593 1 20 . 1 1 13 13 SER H H 13 9.020 9.020 8.067 0.953 19906 7594 1 20 . 1 1 14 14 PHE N N 14 119.920 119.920 119.695 0.225 19906 7595 1 20 . 1 1 14 14 PHE HA H 14 5.510 5.510 4.912 0.598 19906 7596 1 20 . 1 1 14 14 PHE CA C 14 56.760 56.760 56.671 0.089 19906 7597 1 20 . 1 1 14 14 PHE CB C 14 39.930 39.930 41.453 -1.523 19906 7598 1 20 . 1 1 14 14 PHE H H 14 8.370 8.370 8.570 -0.200 19906 7599 1 20 . 1 1 15 15 VAL N N 15 117.820 117.820 116.145 1.675 19906 7600 1 20 . 1 1 15 15 VAL HA H 15 4.680 4.680 4.481 0.199 19906 7601 1 20 . 1 1 15 15 VAL CA C 15 58.880 58.880 60.582 -1.702 19906 7602 1 20 . 1 1 15 15 VAL CB C 15 36.900 36.900 35.014 1.886 19906 7603 1 20 . 1 1 15 15 VAL H H 15 9.100 9.100 8.610 0.490 19906 7604 1 20 . 1 1 16 16 ASP N N 16 116.850 116.850 118.215 -1.365 19906 7605 1 20 . 1 1 16 16 ASP HA H 16 4.190 4.190 4.273 -0.083 19906 7606 1 20 . 1 1 16 16 ASP CA C 16 54.550 54.550 55.531 -0.981 19906 7607 1 20 . 1 1 16 16 ASP CB C 16 38.920 38.920 39.453 -0.533 19906 7608 1 20 . 1 1 16 16 ASP H H 16 8.520 8.520 8.816 -0.296 19906 7609 1 20 . 1 1 17 17 ILE N N 17 118.600 118.600 119.163 -0.563 19906 7610 1 20 . 1 1 17 17 ILE HA H 17 4.150 4.150 3.895 0.255 19906 7611 1 20 . 1 1 17 17 ILE CA C 17 63.190 63.190 62.983 0.207 19906 7612 1 20 . 1 1 17 17 ILE CB C 17 37.770 37.770 38.382 -0.612 19906 7613 1 20 . 1 1 17 17 ILE H H 17 8.150 8.150 7.948 0.202 19906 7614 1 20 . 1 1 18 18 THR N N 18 122.160 122.160 122.446 -0.286 19906 7615 1 20 . 1 1 18 18 THR HA H 18 4.910 4.910 4.604 0.306 19906 7616 1 20 . 1 1 18 18 THR CA C 18 60.570 60.570 61.449 -0.879 19906 7617 1 20 . 1 1 18 18 THR CB C 18 70.600 70.600 70.156 0.444 19906 7618 1 20 . 1 1 18 18 THR H H 18 8.740 8.740 7.956 0.784 19906 7619 1 20 . 1 1 19 19 ASP N N 19 115.600 115.600 121.069 -5.469 19906 7620 1 20 . 1 1 19 19 ASP HA H 19 4.480 4.480 4.555 -0.075 19906 7621 1 20 . 1 1 19 19 ASP CA C 19 54.880 54.880 56.049 -1.169 19906 7622 1 20 . 1 1 19 19 ASP CB C 19 40.430 40.430 40.644 -0.214 19906 7623 1 20 . 1 1 19 19 ASP H H 19 8.450 8.450 8.378 0.072 19906 7624 1 20 . 1 1 20 20 SER N N 20 108.500 108.500 113.967 -5.467 19906 7625 1 20 . 1 1 20 20 SER HA H 20 4.620 4.620 4.639 -0.019 19906 7626 1 20 . 1 1 20 20 SER CA C 20 57.660 57.660 58.166 -0.506 19906 7627 1 20 . 1 1 20 20 SER CB C 20 66.090 66.090 64.125 1.965 19906 7628 1 20 . 1 1 20 20 SER H H 20 8.120 8.120 7.927 0.193 19906 7629 1 20 . 1 1 21 21 SER N N 21 116.590 116.590 116.203 0.387 19906 7630 1 20 . 1 1 21 21 SER HA H 21 5.230 5.230 5.102 0.128 19906 7631 1 20 . 1 1 21 21 SER CA C 21 56.730 56.730 57.846 -1.116 19906 7632 1 20 . 1 1 21 21 SER CB C 21 66.730 66.730 66.012 0.718 19906 7633 1 20 . 1 1 21 21 SER H H 21 7.530 7.530 7.731 -0.201 19906 7634 1 20 . 1 1 22 22 ILE N N 22 113.850 113.850 117.969 -4.119 19906 7635 1 20 . 1 1 22 22 ILE HA H 22 4.490 4.490 4.713 -0.223 19906 7636 1 20 . 1 1 22 22 ILE CA C 22 60.320 60.320 58.867 1.453 19906 7637 1 20 . 1 1 22 22 ILE CB C 22 42.650 42.650 41.672 0.978 19906 7638 1 20 . 1 1 22 22 ILE H H 22 8.210 8.210 7.877 0.333 19906 7639 1 20 . 1 1 23 23 GLY N N 23 112.950 112.950 112.661 0.289 19906 7640 1 20 . 1 1 23 23 GLY CA C 23 44.110 44.110 43.959 0.151 19906 7641 1 20 . 1 1 23 23 GLY H H 23 8.300 8.300 8.457 -0.157 19906 7642 1 20 . 1 1 24 24 LEU N N 24 123.740 123.740 126.034 -2.294 19906 7643 1 20 . 1 1 24 24 LEU HA H 24 4.820 4.820 4.217 0.603 19906 7644 1 20 . 1 1 24 24 LEU CA C 24 53.930 53.930 55.627 -1.696 19906 7645 1 20 . 1 1 24 24 LEU CB C 24 42.470 42.470 41.956 0.514 19906 7646 1 20 . 1 1 24 24 LEU H H 24 8.820 8.820 7.893 0.927 19906 7647 1 20 . 1 1 25 25 ARG N N 25 119.980 119.980 124.921 -4.941 19906 7648 1 20 . 1 1 25 25 ARG HA H 25 4.890 4.890 4.948 -0.058 19906 7649 1 20 . 1 1 25 25 ARG CA C 25 54.040 54.040 54.881 -0.841 19906 7650 1 20 . 1 1 25 25 ARG CB C 25 33.850 33.850 34.502 -0.652 19906 7651 1 20 . 1 1 25 25 ARG H H 25 8.570 8.570 8.059 0.511 19906 7652 1 20 . 1 1 26 26 TRP N N 26 122.480 122.480 124.481 -2.001 19906 7653 1 20 . 1 1 26 26 TRP HA H 26 4.840 4.840 5.068 -0.228 19906 7654 1 20 . 1 1 26 26 TRP CA C 26 56.790 56.790 55.975 0.815 19906 7655 1 20 . 1 1 26 26 TRP CB C 26 31.460 31.460 31.257 0.203 19906 7656 1 20 . 1 1 26 26 TRP H H 26 7.960 7.960 8.575 -0.615 19906 7657 1 20 . 1 1 27 27 THR N N 27 119.820 119.820 118.161 1.659 19906 7658 1 20 . 1 1 27 27 THR HA H 27 4.750 4.750 4.617 0.133 19906 7659 1 20 . 1 1 27 27 THR CA C 27 60.690 60.690 59.988 0.702 19906 7660 1 20 . 1 1 27 27 THR CB C 27 68.460 68.460 68.546 -0.086 19906 7661 1 20 . 1 1 27 27 THR H H 27 9.780 9.780 8.578 1.202 19906 7662 1 20 . 1 1 28 28 PRO HA H 28 4.470 4.470 4.555 -0.085 19906 7663 1 20 . 1 1 28 28 PRO CA C 28 63.260 63.260 63.299 -0.039 19906 7664 1 20 . 1 1 28 28 PRO CB C 28 31.980 31.980 32.307 -0.327 19906 7665 1 20 . 1 1 29 29 LEU N N 29 124.220 124.220 121.597 2.623 19906 7666 1 20 . 1 1 29 29 LEU HA H 29 4.490 4.490 4.525 -0.035 19906 7667 1 20 . 1 1 29 29 LEU CA C 29 54.150 54.150 53.994 0.156 19906 7668 1 20 . 1 1 29 29 LEU CB C 29 43.040 43.040 42.871 0.169 19906 7669 1 20 . 1 1 29 29 LEU H H 29 8.570 8.570 8.376 0.194 19906 7670 1 20 . 1 1 30 30 ASN N N 30 119.950 119.950 121.631 -1.681 19906 7671 1 20 . 1 1 30 30 ASN HA H 30 4.700 4.700 4.453 0.247 19906 7672 1 20 . 1 1 30 30 ASN CA C 30 53.570 53.570 55.548 -1.978 19906 7673 1 20 . 1 1 30 30 ASN CB C 30 38.340 38.340 38.605 -0.265 19906 7674 1 20 . 1 1 30 30 ASN H H 30 8.630 8.630 8.948 -0.318 19906 7675 1 20 . 1 1 31 31 SER N N 31 114.290 114.290 114.587 -0.297 19906 7676 1 20 . 1 1 31 31 SER HA H 31 4.560 4.560 4.556 0.004 19906 7677 1 20 . 1 1 31 31 SER CA C 31 57.500 57.500 58.854 -1.354 19906 7678 1 20 . 1 1 31 31 SER CB C 31 63.480 63.480 63.664 -0.185 19906 7679 1 20 . 1 1 31 31 SER H H 31 8.090 8.090 8.259 -0.169 19906 7680 1 20 . 1 1 32 32 SER HA H 32 4.560 4.560 4.414 0.146 19906 7681 1 20 . 1 1 32 32 SER CA C 32 58.140 58.140 58.763 -0.623 19906 7682 1 20 . 1 1 32 32 SER CB C 32 63.730 63.730 63.949 -0.219 19906 7683 1 20 . 1 1 33 33 THR N N 33 114.160 114.160 120.090 -5.930 19906 7684 1 20 . 1 1 33 33 THR HA H 33 4.300 4.300 4.220 0.080 19906 7685 1 20 . 1 1 33 33 THR CA C 33 63.620 63.620 63.286 0.334 19906 7686 1 20 . 1 1 33 33 THR CB C 33 69.530 69.530 69.436 0.094 19906 7687 1 20 . 1 1 33 33 THR H H 33 8.000 8.000 8.255 -0.255 19906 7688 1 20 . 1 1 34 34 ILE N N 34 121.090 121.090 124.763 -3.673 19906 7689 1 20 . 1 1 34 34 ILE HA H 34 4.300 4.300 4.243 0.057 19906 7690 1 20 . 1 1 34 34 ILE CA C 34 61.920 61.920 59.509 2.411 19906 7691 1 20 . 1 1 34 34 ILE CB C 34 38.080 38.080 35.794 2.286 19906 7692 1 20 . 1 1 34 34 ILE H H 34 7.980 7.980 8.395 -0.415 19906 7693 1 20 . 1 1 35 35 ILE N N 35 126.230 126.230 120.535 5.695 19906 7694 1 20 . 1 1 35 35 ILE HA H 35 4.220 4.220 4.300 -0.080 19906 7695 1 20 . 1 1 35 35 ILE CA C 35 61.720 61.720 59.434 2.287 19906 7696 1 20 . 1 1 35 35 ILE CB C 35 38.790 38.790 41.307 -2.517 19906 7697 1 20 . 1 1 35 35 ILE H H 35 8.810 8.810 7.523 1.287 19906 7698 1 20 . 1 1 36 36 GLY CA C 36 45.520 45.520 45.498 0.022 19906 7699 1 20 . 1 1 37 37 TYR N N 37 120.400 120.400 123.199 -2.799 19906 7700 1 20 . 1 1 37 37 TYR HA H 37 5.070 5.070 4.885 0.185 19906 7701 1 20 . 1 1 37 37 TYR CA C 37 57.930 57.930 55.763 2.167 19906 7702 1 20 . 1 1 37 37 TYR CB C 37 38.950 38.950 40.612 -1.662 19906 7703 1 20 . 1 1 37 37 TYR H H 37 7.340 7.340 7.699 -0.359 19906 7704 1 20 . 1 1 38 38 ARG HA H 38 5.150 5.150 4.897 0.253 19906 7705 1 20 . 1 1 38 38 ARG CA C 38 54.450 54.450 54.278 0.172 19906 7706 1 20 . 1 1 38 38 ARG CB C 38 31.530 31.530 32.988 -1.458 19906 7707 1 20 . 1 1 39 39 ILE N N 39 129.570 129.570 125.193 4.377 19906 7708 1 20 . 1 1 39 39 ILE HA H 39 5.060 5.060 4.458 0.602 19906 7709 1 20 . 1 1 39 39 ILE CA C 39 60.030 60.030 60.329 -0.299 19906 7710 1 20 . 1 1 39 39 ILE CB C 39 40.780 40.780 38.674 2.106 19906 7711 1 20 . 1 1 39 39 ILE H H 39 9.040 9.040 8.499 0.541 19906 7712 1 20 . 1 1 40 40 THR N N 40 120.430 120.430 123.156 -2.726 19906 7713 1 20 . 1 1 40 40 THR HA H 40 5.210 5.210 4.604 0.606 19906 7714 1 20 . 1 1 40 40 THR CA C 40 61.130 61.130 61.918 -0.788 19906 7715 1 20 . 1 1 40 40 THR CB C 40 71.090 71.090 70.137 0.953 19906 7716 1 20 . 1 1 40 40 THR H H 40 8.880 8.880 8.079 0.801 19906 7717 1 20 . 1 1 41 41 VAL HA H 41 5.030 5.030 4.571 0.459 19906 7718 1 20 . 1 1 41 41 VAL CA C 41 61.280 61.280 59.535 1.746 19906 7719 1 20 . 1 1 41 41 VAL CB C 41 33.800 33.800 34.297 -0.497 19906 7720 1 20 . 1 1 41 41 VAL H H 41 8.820 8.820 8.511 0.309 19906 7721 1 20 . 1 1 42 42 VAL N N 42 127.670 127.670 126.396 1.274 19906 7722 1 20 . 1 1 42 42 VAL HA H 42 4.650 4.650 4.343 0.307 19906 7723 1 20 . 1 1 42 42 VAL CA C 42 60.320 60.320 60.281 0.039 19906 7724 1 20 . 1 1 42 42 VAL CB C 42 35.800 35.800 36.092 -0.292 19906 7725 1 20 . 1 1 42 42 VAL H H 42 9.100 9.100 9.312 -0.212 19906 7726 1 20 . 1 1 43 43 ALA N N 43 131.340 131.340 128.711 2.629 19906 7727 1 20 . 1 1 43 43 ALA HA H 43 4.410 4.410 3.985 0.425 19906 7728 1 20 . 1 1 43 43 ALA CA C 43 52.420 52.420 50.910 1.510 19906 7729 1 20 . 1 1 43 43 ALA CB C 43 18.750 18.750 19.633 -0.883 19906 7730 1 20 . 1 1 43 43 ALA H H 43 9.420 9.420 8.547 0.873 19906 7731 1 20 . 1 1 44 44 ALA N N 44 126.040 126.040 126.308 -0.268 19906 7732 1 20 . 1 1 44 44 ALA HA H 44 4.120 4.120 4.363 -0.243 19906 7733 1 20 . 1 1 44 44 ALA CA C 44 53.790 53.790 52.892 0.898 19906 7734 1 20 . 1 1 44 44 ALA CB C 44 18.680 18.680 19.434 -0.754 19906 7735 1 20 . 1 1 44 44 ALA H H 44 8.260 8.260 8.133 0.127 19906 7736 1 20 . 1 1 45 45 GLY CA C 45 45.620 45.620 44.467 1.153 19906 7737 1 20 . 1 1 45 45 GLY H H 45 8.700 8.700 7.958 0.742 19906 7738 1 20 . 1 1 46 46 GLU N N 46 119.650 119.650 119.536 0.114 19906 7739 1 20 . 1 1 46 46 GLU HA H 46 4.470 4.470 4.517 -0.047 19906 7740 1 20 . 1 1 46 46 GLU CA C 46 55.870 55.870 55.334 0.535 19906 7741 1 20 . 1 1 46 46 GLU CB C 46 30.520 30.520 32.069 -1.550 19906 7742 1 20 . 1 1 46 46 GLU H H 46 8.110 8.110 7.197 0.913 19906 7743 1 20 . 1 1 47 47 GLY N N 47 107.160 107.160 108.858 -1.698 19906 7744 1 20 . 1 1 47 47 GLY CA C 47 45.910 45.910 45.788 0.122 19906 7745 1 20 . 1 1 47 47 GLY H H 47 8.400 8.400 8.645 -0.245 19906 7746 1 20 . 1 1 48 48 ILE N N 48 120.010 120.010 120.802 -0.792 19906 7747 1 20 . 1 1 48 48 ILE HA H 48 4.620 4.620 4.376 0.244 19906 7748 1 20 . 1 1 48 48 ILE CA C 48 58.500 58.500 57.876 0.624 19906 7749 1 20 . 1 1 48 48 ILE CB C 48 39.400 39.400 41.317 -1.917 19906 7750 1 20 . 1 1 48 48 ILE H H 48 7.440 7.440 7.455 -0.015 19906 7751 1 20 . 1 1 49 49 PRO HA H 49 4.530 4.530 4.576 -0.046 19906 7752 1 20 . 1 1 49 49 PRO CA C 49 63.590 63.590 62.194 1.396 19906 7753 1 20 . 1 1 49 49 PRO CB C 49 31.880 31.880 32.264 -0.385 19906 7754 1 20 . 1 1 50 50 ILE N N 50 122.120 122.120 120.229 1.891 19906 7755 1 20 . 1 1 50 50 ILE HA H 50 4.150 4.150 4.050 0.100 19906 7756 1 20 . 1 1 50 50 ILE CA C 50 63.310 63.310 61.573 1.737 19906 7757 1 20 . 1 1 50 50 ILE CB C 50 38.020 38.020 38.688 -0.668 19906 7758 1 20 . 1 1 50 50 ILE H H 50 8.720 8.720 8.173 0.547 19906 7759 1 20 . 1 1 51 51 PHE HA H 51 4.770 4.770 4.525 0.245 19906 7760 1 20 . 1 1 51 51 PHE CA C 51 57.900 57.900 58.186 -0.286 19906 7761 1 20 . 1 1 51 51 PHE CB C 51 41.870 41.870 39.466 2.404 19906 7762 1 20 . 1 1 52 52 GLU HA H 52 5.350 5.350 4.233 1.117 19906 7763 1 20 . 1 1 52 52 GLU CA C 52 55.140 55.140 56.165 -1.025 19906 7764 1 20 . 1 1 52 52 GLU CB C 52 32.030 32.030 30.450 1.580 19906 7765 1 20 . 1 1 53 53 ASP N N 53 122.750 122.750 118.523 4.227 19906 7766 1 20 . 1 1 53 53 ASP HA H 53 5.000 5.000 4.804 0.196 19906 7767 1 20 . 1 1 53 53 ASP CA C 53 52.950 52.950 53.122 -0.172 19906 7768 1 20 . 1 1 53 53 ASP CB C 53 44.770 44.770 44.318 0.452 19906 7769 1 20 . 1 1 53 53 ASP H H 53 8.850 8.850 7.711 1.139 19906 7770 1 20 . 1 1 54 54 PHE N N 54 121.100 121.100 120.674 0.426 19906 7771 1 20 . 1 1 54 54 PHE HA H 54 5.380 5.380 5.361 0.019 19906 7772 1 20 . 1 1 54 54 PHE CA C 54 56.180 56.180 56.658 -0.478 19906 7773 1 20 . 1 1 54 54 PHE CB C 54 42.110 42.110 40.927 1.183 19906 7774 1 20 . 1 1 54 54 PHE H H 54 8.770 8.770 8.628 0.142 19906 7775 1 20 . 1 1 55 55 VAL N N 55 125.760 125.760 123.878 1.882 19906 7776 1 20 . 1 1 55 55 VAL HA H 55 4.320 4.320 4.385 -0.065 19906 7777 1 20 . 1 1 55 55 VAL CA C 55 59.140 59.140 59.520 -0.381 19906 7778 1 20 . 1 1 55 55 VAL CB C 55 34.940 34.940 35.841 -0.901 19906 7779 1 20 . 1 1 55 55 VAL H H 55 8.290 8.290 8.217 0.073 19906 7780 1 20 . 1 1 56 56 ASP N N 56 127.100 127.100 127.032 0.068 19906 7781 1 20 . 1 1 56 56 ASP HA H 56 4.560 4.560 4.444 0.116 19906 7782 1 20 . 1 1 56 56 ASP CA C 56 54.980 54.980 54.946 0.034 19906 7783 1 20 . 1 1 56 56 ASP CB C 56 42.730 42.730 41.658 1.072 19906 7784 1 20 . 1 1 56 56 ASP H H 56 8.460 8.460 8.585 -0.125 19906 7785 1 20 . 1 1 57 57 SER N N 57 119.630 119.630 117.029 2.601 19906 7786 1 20 . 1 1 57 57 SER HA H 57 4.330 4.330 3.946 0.384 19906 7787 1 20 . 1 1 57 57 SER CA C 57 60.630 60.630 60.483 0.147 19906 7788 1 20 . 1 1 57 57 SER CB C 57 62.680 62.680 63.202 -0.522 19906 7789 1 20 . 1 1 57 57 SER H H 57 8.260 8.260 8.456 -0.196 19906 7790 1 20 . 1 1 58 58 SER N N 58 117.030 117.030 115.529 1.501 19906 7791 1 20 . 1 1 58 58 SER HA H 58 4.400 4.400 4.248 0.152 19906 7792 1 20 . 1 1 58 58 SER CA C 58 60.430 60.430 60.207 0.223 19906 7793 1 20 . 1 1 58 58 SER CB C 58 63.700 63.700 63.070 0.630 19906 7794 1 20 . 1 1 58 58 SER H H 58 9.080 9.080 8.027 1.053 19906 7795 1 20 . 1 1 59 59 VAL N N 59 119.350 119.350 121.828 -2.478 19906 7796 1 20 . 1 1 59 59 VAL HA H 59 3.790 3.790 3.766 0.024 19906 7797 1 20 . 1 1 59 59 VAL CA C 59 65.670 65.670 61.972 3.698 19906 7798 1 20 . 1 1 59 59 VAL CB C 59 32.400 32.400 30.141 2.259 19906 7799 1 20 . 1 1 59 59 VAL H H 59 7.570 7.570 7.233 0.337 19906 7800 1 20 . 1 1 60 60 GLY N N 60 104.070 104.070 116.362 -12.292 19906 7801 1 20 . 1 1 60 60 GLY CA C 60 44.430 44.430 45.287 -0.857 19906 7802 1 20 . 1 1 60 60 GLY H H 60 6.120 6.120 8.420 -2.300 19906 7803 1 20 . 1 1 61 61 TYR N N 61 117.690 117.690 113.253 4.437 19906 7804 1 20 . 1 1 61 61 TYR HA H 61 5.030 5.030 4.937 0.093 19906 7805 1 20 . 1 1 61 61 TYR CA C 61 56.320 56.320 55.069 1.251 19906 7806 1 20 . 1 1 61 61 TYR CB C 61 41.700 41.700 40.092 1.608 19906 7807 1 20 . 1 1 61 61 TYR H H 61 6.080 6.080 7.106 -1.026 19906 7808 1 20 . 1 1 62 62 TYR N N 62 126.650 126.650 121.037 5.613 19906 7809 1 20 . 1 1 62 62 TYR HA H 62 4.440 4.440 4.807 -0.367 19906 7810 1 20 . 1 1 62 62 TYR CA C 62 58.560 58.560 57.917 0.643 19906 7811 1 20 . 1 1 62 62 TYR CB C 62 43.550 43.550 43.169 0.381 19906 7812 1 20 . 1 1 62 62 TYR H H 62 8.440 8.440 8.933 -0.493 19906 7813 1 20 . 1 1 63 63 THR N N 63 122.160 122.160 119.618 2.542 19906 7814 1 20 . 1 1 63 63 THR HA H 63 4.780 4.780 4.665 0.115 19906 7815 1 20 . 1 1 63 63 THR CA C 63 61.610 61.610 60.874 0.736 19906 7816 1 20 . 1 1 63 63 THR CB C 63 69.810 69.810 69.850 -0.040 19906 7817 1 20 . 1 1 63 63 THR H H 63 7.380 7.380 7.332 0.048 19906 7818 1 20 . 1 1 64 64 VAL N N 64 127.940 127.940 124.544 3.396 19906 7819 1 20 . 1 1 64 64 VAL HA H 64 3.660 3.660 4.658 -0.998 19906 7820 1 20 . 1 1 64 64 VAL CA C 64 61.840 61.840 60.964 0.876 19906 7821 1 20 . 1 1 64 64 VAL CB C 64 31.840 31.840 32.318 -0.478 19906 7822 1 20 . 1 1 64 64 VAL H H 64 8.860 8.860 8.210 0.650 19906 7823 1 20 . 1 1 65 65 THR N N 65 116.150 116.150 116.450 -0.300 19906 7824 1 20 . 1 1 65 65 THR HA H 65 4.640 4.640 5.028 -0.388 19906 7825 1 20 . 1 1 65 65 THR CA C 65 59.470 59.470 59.697 -0.227 19906 7826 1 20 . 1 1 65 65 THR CB C 65 71.160 71.160 70.964 0.196 19906 7827 1 20 . 1 1 65 65 THR H H 65 7.290 7.290 8.149 -0.859 19906 7828 1 20 . 1 1 66 66 GLY N N 66 105.560 105.560 108.592 -3.032 19906 7829 1 20 . 1 1 66 66 GLY CA C 66 45.860 45.860 44.866 0.994 19906 7830 1 20 . 1 1 66 66 GLY H H 66 8.450 8.450 8.341 0.109 19906 7831 1 20 . 1 1 67 67 LEU N N 67 119.080 119.080 120.995 -1.915 19906 7832 1 20 . 1 1 67 67 LEU HA H 67 4.180 4.180 3.899 0.281 19906 7833 1 20 . 1 1 67 67 LEU CA C 67 53.380 53.380 52.670 0.710 19906 7834 1 20 . 1 1 67 67 LEU CB C 67 41.630 41.630 40.858 0.772 19906 7835 1 20 . 1 1 67 67 LEU H H 67 7.850 7.850 7.617 0.233 19906 7836 1 20 . 1 1 68 68 GLU N N 68 120.030 120.030 123.766 -3.736 19906 7837 1 20 . 1 1 68 68 GLU HA H 68 4.920 4.920 4.311 0.609 19906 7838 1 20 . 1 1 68 68 GLU CA C 68 52.510 52.510 55.410 -2.900 19906 7839 1 20 . 1 1 68 68 GLU CB C 68 31.040 31.040 29.153 1.887 19906 7840 1 20 . 1 1 68 68 GLU H H 68 8.500 8.500 8.385 0.115 19906 7841 1 20 . 1 1 69 69 PRO HA H 69 4.470 4.470 4.447 0.023 19906 7842 1 20 . 1 1 69 69 PRO CA C 69 62.740 62.740 63.222 -0.482 19906 7843 1 20 . 1 1 69 69 PRO CB C 69 31.410 31.410 32.077 -0.667 19906 7844 1 20 . 1 1 70 70 GLY N N 70 106.940 106.940 109.136 -2.196 19906 7845 1 20 . 1 1 70 70 GLY CA C 70 45.830 45.830 45.624 0.206 19906 7846 1 20 . 1 1 70 70 GLY H H 70 8.500 8.500 8.833 -0.333 19906 7847 1 20 . 1 1 71 71 ILE N N 71 120.080 120.080 121.772 -1.692 19906 7848 1 20 . 1 1 71 71 ILE HA H 71 4.080 4.080 4.168 -0.088 19906 7849 1 20 . 1 1 71 71 ILE CA C 71 58.710 58.710 60.141 -1.431 19906 7850 1 20 . 1 1 71 71 ILE CB C 71 40.410 40.410 39.501 0.909 19906 7851 1 20 . 1 1 71 71 ILE H H 71 7.510 7.510 7.460 0.050 19906 7852 1 20 . 1 1 72 72 ASP N N 72 124.920 124.920 127.626 -2.706 19906 7853 1 20 . 1 1 72 72 ASP HA H 72 4.930 4.930 4.606 0.324 19906 7854 1 20 . 1 1 72 72 ASP CA C 72 54.260 54.260 53.721 0.539 19906 7855 1 20 . 1 1 72 72 ASP CB C 72 41.120 41.120 41.515 -0.395 19906 7856 1 20 . 1 1 72 72 ASP H H 72 8.190 8.190 8.507 -0.317 19906 7857 1 20 . 1 1 73 73 TYR N N 73 122.440 122.440 124.826 -2.386 19906 7858 1 20 . 1 1 73 73 TYR HA H 73 5.070 5.070 4.799 0.271 19906 7859 1 20 . 1 1 73 73 TYR CA C 73 57.390 57.390 57.645 -0.256 19906 7860 1 20 . 1 1 73 73 TYR CB C 73 40.550 40.550 40.763 -0.213 19906 7861 1 20 . 1 1 73 73 TYR H H 73 9.310 9.310 8.487 0.823 19906 7862 1 20 . 1 1 74 74 ASP N N 74 122.980 122.980 124.936 -1.956 19906 7863 1 20 . 1 1 74 74 ASP HA H 74 5.220 5.220 4.905 0.315 19906 7864 1 20 . 1 1 74 74 ASP CA C 74 53.900 53.900 54.130 -0.230 19906 7865 1 20 . 1 1 74 74 ASP CB C 74 42.120 42.120 41.439 0.681 19906 7866 1 20 . 1 1 74 74 ASP H H 74 9.290 9.290 8.894 0.396 19906 7867 1 20 . 1 1 75 75 ILE N N 75 124.270 124.270 120.092 4.178 19906 7868 1 20 . 1 1 75 75 ILE HA H 75 5.470 5.470 4.943 0.527 19906 7869 1 20 . 1 1 75 75 ILE CA C 75 58.400 58.400 58.316 0.084 19906 7870 1 20 . 1 1 75 75 ILE CB C 75 40.900 40.900 40.582 0.318 19906 7871 1 20 . 1 1 75 75 ILE H H 75 8.810 8.810 8.301 0.509 19906 7872 1 20 . 1 1 76 76 SER N N 76 121.300 121.300 116.284 5.016 19906 7873 1 20 . 1 1 76 76 SER HA H 76 5.800 5.800 4.726 1.074 19906 7874 1 20 . 1 1 76 76 SER CA C 76 56.340 56.340 57.726 -1.386 19906 7875 1 20 . 1 1 76 76 SER CB C 76 66.180 66.180 64.826 1.353 19906 7876 1 20 . 1 1 76 76 SER H H 76 8.760 8.760 8.636 0.124 19906 7877 1 20 . 1 1 77 77 VAL N N 77 124.740 124.740 124.541 0.199 19906 7878 1 20 . 1 1 77 77 VAL HA H 77 4.760 4.760 4.213 0.547 19906 7879 1 20 . 1 1 77 77 VAL CA C 77 61.190 61.190 61.874 -0.684 19906 7880 1 20 . 1 1 77 77 VAL CB C 77 33.270 33.270 32.364 0.906 19906 7881 1 20 . 1 1 77 77 VAL H H 77 9.420 9.420 8.434 0.986 19906 7882 1 20 . 1 1 78 78 ILE N N 78 126.300 126.300 128.721 -2.421 19906 7883 1 20 . 1 1 78 78 ILE HA H 78 4.710 4.710 4.225 0.485 19906 7884 1 20 . 1 1 78 78 ILE CA C 78 61.160 61.160 60.341 0.819 19906 7885 1 20 . 1 1 78 78 ILE CB C 78 41.050 41.050 39.201 1.849 19906 7886 1 20 . 1 1 78 78 ILE H H 78 9.370 9.370 8.349 1.021 19906 7887 1 20 . 1 1 79 79 THR N N 79 122.350 122.350 122.926 -0.576 19906 7888 1 20 . 1 1 79 79 THR HA H 79 4.280 4.280 4.160 0.120 19906 7889 1 20 . 1 1 79 79 THR CA C 79 64.260 64.260 61.563 2.697 19906 7890 1 20 . 1 1 79 79 THR CB C 79 69.130 69.130 69.439 -0.309 19906 7891 1 20 . 1 1 79 79 THR H H 79 8.550 8.550 8.346 0.204 19906 7892 1 20 . 1 1 80 80 LEU N N 80 128.900 128.900 130.050 -1.150 19906 7893 1 20 . 1 1 80 80 LEU HA H 80 4.730 4.730 4.644 0.086 19906 7894 1 20 . 1 1 80 80 LEU CA C 80 54.060 54.060 54.573 -0.513 19906 7895 1 20 . 1 1 80 80 LEU CB C 80 41.470 41.470 44.374 -2.904 19906 7896 1 20 . 1 1 80 80 LEU H H 80 8.660 8.660 8.297 0.363 19906 7897 1 20 . 1 1 81 81 ILE N N 81 121.640 121.640 121.141 0.499 19906 7898 1 20 . 1 1 81 81 ILE HA H 81 4.870 4.870 4.557 0.313 19906 7899 1 20 . 1 1 81 81 ILE CA C 81 59.300 59.300 60.075 -0.775 19906 7900 1 20 . 1 1 81 81 ILE CB C 81 40.510 40.510 41.511 -1.001 19906 7901 1 20 . 1 1 81 81 ILE H H 81 8.350 8.350 7.922 0.428 19906 7902 1 20 . 1 1 82 82 ASN N N 82 123.240 123.240 121.255 1.985 19906 7903 1 20 . 1 1 82 82 ASN HA H 82 4.640 4.640 4.594 0.046 19906 7904 1 20 . 1 1 82 82 ASN CA C 82 53.450 53.450 54.311 -0.861 19906 7905 1 20 . 1 1 82 82 ASN CB C 82 38.940 38.940 39.310 -0.370 19906 7906 1 20 . 1 1 82 82 ASN H H 82 8.820 8.820 8.720 0.100 19906 7907 1 20 . 1 1 83 83 GLY N N 83 112.680 112.680 108.593 4.087 19906 7908 1 20 . 1 1 83 83 GLY CA C 83 45.420 45.420 44.691 0.729 19906 7909 1 20 . 1 1 83 83 GLY H H 83 8.630 8.630 8.434 0.196 19906 7910 1 20 . 1 1 84 84 GLY N N 84 108.560 108.560 109.770 -1.210 19906 7911 1 20 . 1 1 84 84 GLY CA C 84 45.190 45.190 44.708 0.482 19906 7912 1 20 . 1 1 84 84 GLY H H 84 8.280 8.280 8.424 -0.144 19906 7913 1 20 . 1 1 85 85 GLU N N 85 120.690 120.690 120.789 -0.099 19906 7914 1 20 . 1 1 85 85 GLU HA H 85 4.320 4.320 4.227 0.093 19906 7915 1 20 . 1 1 85 85 GLU CA C 85 56.480 56.480 56.997 -0.517 19906 7916 1 20 . 1 1 85 85 GLU CB C 85 30.480 30.480 30.137 0.343 19906 7917 1 20 . 1 1 85 85 GLU H H 85 8.460 8.460 8.415 0.045 19906 7918 1 20 . 1 1 86 86 SER N N 86 116.860 116.860 118.108 -1.248 19906 7919 1 20 . 1 1 86 86 SER HA H 86 4.430 4.430 4.358 0.072 19906 7920 1 20 . 1 1 86 86 SER CA C 86 57.920 57.920 59.469 -1.549 19906 7921 1 20 . 1 1 86 86 SER CB C 86 63.720 63.720 63.544 0.177 19906 7922 1 20 . 1 1 86 86 SER H H 86 8.350 8.350 8.373 -0.023 19906 7923 1 20 . 1 1 87 87 ALA N N 87 126.890 126.890 127.700 -0.810 19906 7924 1 20 . 1 1 87 87 ALA HA H 87 4.580 4.580 4.336 0.244 19906 7925 1 20 . 1 1 87 87 ALA CA C 87 50.450 50.450 52.652 -2.202 19906 7926 1 20 . 1 1 87 87 ALA CB C 87 18.110 18.110 17.668 0.442 19906 7927 1 20 . 1 1 87 87 ALA H H 87 8.240 8.240 8.485 -0.245 19906 7928 1 20 . 1 1 88 88 PRO HA H 88 4.470 4.470 4.297 0.173 19906 7929 1 20 . 1 1 88 88 PRO CA C 88 62.960 62.960 63.921 -0.961 19906 7930 1 20 . 1 1 88 88 PRO CB C 88 31.460 31.460 31.818 -0.358 19906 7931 1 20 . 1 1 89 89 THR N N 89 114.280 114.280 113.639 0.641 19906 7932 1 20 . 1 1 89 89 THR HA H 89 4.340 4.340 4.564 -0.224 19906 7933 1 20 . 1 1 89 89 THR CA C 89 62.320 62.320 61.807 0.513 19906 7934 1 20 . 1 1 89 89 THR CB C 89 69.530 69.530 70.168 -0.638 19906 7935 1 20 . 1 1 89 89 THR H H 89 8.270 8.270 7.643 0.627 19906 7936 1 20 . 1 1 90 90 THR N N 90 116.290 116.290 116.392 -0.102 19906 7937 1 20 . 1 1 90 90 THR HA H 90 4.330 4.330 4.522 -0.192 19906 7938 1 20 . 1 1 90 90 THR CA C 90 61.890 61.890 60.980 0.910 19906 7939 1 20 . 1 1 90 90 THR CB C 90 69.500 69.500 70.344 -0.844 19906 7940 1 20 . 1 1 90 90 THR H H 90 8.090 8.090 8.114 -0.024 19906 7941 1 20 . 1 1 91 91 LEU N N 91 124.660 124.660 123.406 1.254 19906 7942 1 20 . 1 1 91 91 LEU HA H 91 4.410 4.410 4.635 -0.225 19906 7943 1 20 . 1 1 91 91 LEU CA C 91 55.590 55.590 54.685 0.904 19906 7944 1 20 . 1 1 91 91 LEU CB C 91 41.600 41.600 42.332 -0.732 19906 7945 1 20 . 1 1 91 91 LEU H H 91 8.290 8.290 8.455 -0.165 19906 7946 1 20 . 1 1 92 92 THR N N 92 115.030 115.030 116.905 -1.875 19906 7947 1 20 . 1 1 92 92 THR HA H 92 4.300 4.300 4.454 -0.154 19906 7948 1 20 . 1 1 92 92 THR CA C 92 61.890 61.890 61.292 0.598 19906 7949 1 20 . 1 1 92 92 THR CB C 92 69.500 69.500 69.868 -0.368 19906 7950 1 20 . 1 1 92 92 THR H H 92 8.100 8.100 8.338 -0.238 19906 7951 1 20 . 1 1 93 93 GLN N N 93 123.200 123.200 121.433 1.767 19906 7952 1 20 . 1 1 93 93 GLN HA H 93 4.350 4.350 4.319 0.031 19906 7953 1 20 . 1 1 93 93 GLN CA C 93 55.720 55.720 56.322 -0.602 19906 7954 1 20 . 1 1 93 93 GLN CB C 93 29.050 29.050 29.254 -0.204 19906 7955 1 20 . 1 1 93 93 GLN H H 93 8.380 8.380 8.436 -0.056 19906 7956 1 20 . 1 1 94 94 GLN N N 94 122.720 122.720 119.464 3.256 19906 7957 1 20 . 1 1 94 94 GLN HA H 94 4.400 4.400 3.994 0.406 19906 7958 1 20 . 1 1 94 94 GLN CA C 94 55.780 55.780 57.088 -1.308 19906 7959 1 20 . 1 1 94 94 GLN CB C 94 29.100 29.100 27.796 1.304 19906 7960 1 20 . 1 1 94 94 GLN H H 94 8.480 8.480 8.607 -0.127 19906 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 75 2.909 -0.070 2.928 19906 2 1 1 "Average Difference" HA 94 0.388 -0.074 0.383 19906 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19906 4 1 1 "Average Difference" CA 88 1.232 -0.063 1.237 19906 5 1 1 "Average Difference" CB 79 1.349 0.055 1.357 19906 6 1 1 "Average Difference" HN 77 0.578 -0.153 0.561 19906 7 1 2 "Average Difference" N 75 2.838 0.297 2.841 19906 8 1 2 "Average Difference" HA 94 0.398 -0.100 0.387 19906 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19906 10 1 2 "Average Difference" CA 88 1.066 0.035 1.072 19906 11 1 2 "Average Difference" CB 79 1.083 0.105 1.085 19906 12 1 2 "Average Difference" HN 77 0.601 -0.176 0.578 19906 13 1 3 "Average Difference" N 75 2.779 0.066 2.797 19906 14 1 3 "Average Difference" HA 94 0.387 -0.123 0.369 19906 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19906 16 1 3 "Average Difference" CA 88 1.128 0.015 1.134 19906 17 1 3 "Average Difference" CB 79 1.149 0.016 1.156 19906 18 1 3 "Average Difference" HN 77 0.549 -0.168 0.526 19906 19 1 4 "Average Difference" N 75 2.690 0.317 2.690 19906 20 1 4 "Average Difference" HA 94 0.379 -0.107 0.366 19906 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19906 22 1 4 "Average Difference" CA 88 1.176 0.161 1.172 19906 23 1 4 "Average Difference" CB 79 1.226 0.033 1.234 19906 24 1 4 "Average Difference" HN 77 0.592 -0.180 0.568 19906 25 1 5 "Average Difference" N 75 2.762 0.380 2.754 19906 26 1 5 "Average Difference" HA 94 0.405 -0.102 0.394 19906 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19906 28 1 5 "Average Difference" CA 88 1.154 0.010 1.161 19906 29 1 5 "Average Difference" CB 79 1.206 -0.056 1.213 19906 30 1 5 "Average Difference" HN 77 0.601 -0.171 0.580 19906 31 1 6 "Average Difference" N 75 2.774 0.296 2.777 19906 32 1 6 "Average Difference" HA 94 0.420 -0.115 0.406 19906 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19906 34 1 6 "Average Difference" CA 88 1.123 0.018 1.129 19906 35 1 6 "Average Difference" CB 79 1.194 0.010 1.201 19906 36 1 6 "Average Difference" HN 77 0.580 -0.149 0.564 19906 37 1 7 "Average Difference" N 75 2.808 0.235 2.817 19906 38 1 7 "Average Difference" HA 94 0.392 -0.109 0.379 19906 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19906 40 1 7 "Average Difference" CA 88 1.056 -0.001 1.062 19906 41 1 7 "Average Difference" CB 79 1.226 -0.014 1.234 19906 42 1 7 "Average Difference" HN 77 0.569 -0.167 0.547 19906 43 1 8 "Average Difference" N 75 2.775 -0.024 2.793 19906 44 1 8 "Average Difference" HA 94 0.390 -0.095 0.381 19906 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19906 46 1 8 "Average Difference" CA 88 1.117 0.022 1.123 19906 47 1 8 "Average Difference" CB 79 1.200 0.101 1.203 19906 48 1 8 "Average Difference" HN 77 0.619 -0.186 0.594 19906 49 1 9 "Average Difference" N 75 2.875 0.174 2.889 19906 50 1 9 "Average Difference" HA 94 0.383 -0.126 0.363 19906 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19906 52 1 9 "Average Difference" CA 88 1.068 0.029 1.074 19906 53 1 9 "Average Difference" CB 79 1.083 -0.027 1.090 19906 54 1 9 "Average Difference" HN 77 0.584 -0.149 0.569 19906 55 1 10 "Average Difference" N 75 2.768 0.055 2.786 19906 56 1 10 "Average Difference" HA 94 0.377 -0.104 0.365 19906 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19906 58 1 10 "Average Difference" CA 88 1.097 0.074 1.101 19906 59 1 10 "Average Difference" CB 79 1.185 0.027 1.192 19906 60 1 10 "Average Difference" HN 77 0.602 -0.152 0.586 19906 61 1 11 "Average Difference" N 75 3.014 0.296 3.020 19906 62 1 11 "Average Difference" HA 94 0.410 -0.130 0.391 19906 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19906 64 1 11 "Average Difference" CA 88 1.065 -0.006 1.072 19906 65 1 11 "Average Difference" CB 79 1.279 0.003 1.288 19906 66 1 11 "Average Difference" HN 77 0.574 -0.159 0.555 19906 67 1 12 "Average Difference" N 75 2.658 0.184 2.669 19906 68 1 12 "Average Difference" HA 94 0.478 -0.085 0.473 19906 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19906 70 1 12 "Average Difference" CA 88 1.101 -0.019 1.108 19906 71 1 12 "Average Difference" CB 79 1.151 0.011 1.158 19906 72 1 12 "Average Difference" HN 77 0.604 -0.158 0.587 19906 73 1 13 "Average Difference" N 75 2.780 0.379 2.772 19906 74 1 13 "Average Difference" HA 94 0.389 -0.098 0.378 19906 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19906 76 1 13 "Average Difference" CA 88 1.056 0.040 1.061 19906 77 1 13 "Average Difference" CB 79 1.267 0.079 1.272 19906 78 1 13 "Average Difference" HN 77 0.606 -0.149 0.591 19906 79 1 14 "Average Difference" N 75 2.711 0.082 2.728 19906 80 1 14 "Average Difference" HA 94 0.384 -0.135 0.361 19906 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19906 82 1 14 "Average Difference" CA 88 1.175 0.036 1.182 19906 83 1 14 "Average Difference" CB 79 1.122 -0.026 1.129 19906 84 1 14 "Average Difference" HN 77 0.562 -0.155 0.544 19906 85 1 15 "Average Difference" N 75 2.777 0.249 2.784 19906 86 1 15 "Average Difference" HA 94 0.406 -0.083 0.399 19906 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19906 88 1 15 "Average Difference" CA 88 1.110 0.017 1.116 19906 89 1 15 "Average Difference" CB 79 1.186 0.047 1.192 19906 90 1 15 "Average Difference" HN 77 0.620 -0.170 0.600 19906 91 1 16 "Average Difference" N 75 3.186 0.307 3.193 19906 92 1 16 "Average Difference" HA 94 0.376 -0.090 0.367 19906 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19906 94 1 16 "Average Difference" CA 88 1.104 -0.032 1.110 19906 95 1 16 "Average Difference" CB 79 1.306 -0.006 1.314 19906 96 1 16 "Average Difference" HN 77 0.587 -0.163 0.568 19906 97 1 17 "Average Difference" N 75 2.796 -0.014 2.815 19906 98 1 17 "Average Difference" HA 94 0.397 -0.099 0.387 19906 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19906 100 1 17 "Average Difference" CA 88 1.030 0.008 1.036 19906 101 1 17 "Average Difference" CB 79 1.154 0.082 1.158 19906 102 1 17 "Average Difference" HN 77 0.569 -0.160 0.549 19906 103 1 18 "Average Difference" N 75 2.790 0.301 2.793 19906 104 1 18 "Average Difference" HA 94 0.403 -0.120 0.387 19906 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19906 106 1 18 "Average Difference" CA 88 1.040 0.052 1.045 19906 107 1 18 "Average Difference" CB 79 1.310 -0.043 1.318 19906 108 1 18 "Average Difference" HN 77 0.541 -0.155 0.522 19906 109 1 19 "Average Difference" N 75 2.703 0.387 2.693 19906 110 1 19 "Average Difference" HA 94 0.420 -0.106 0.409 19906 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19906 112 1 19 "Average Difference" CA 88 1.057 0.104 1.058 19906 113 1 19 "Average Difference" CB 79 1.281 0.121 1.283 19906 114 1 19 "Average Difference" HN 77 0.619 -0.142 0.606 19906 115 1 20 "Average Difference" N 75 3.017 0.122 3.034 19906 116 1 20 "Average Difference" HA 94 0.377 -0.105 0.364 19906 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19906 118 1 20 "Average Difference" CA 88 1.151 0.008 1.157 19906 119 1 20 "Average Difference" CB 79 1.198 -0.040 1.205 19906 120 1 20 "Average Difference" HN 77 0.591 -0.141 0.578 19906 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 19906 _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 4 4 SER HA H 4 4.400 4.400 4.524 -0.124 19906 2 1 . 1 1 4 4 SER CA C 4 58.290 58.290 58.296 -0.006 19906 3 1 . 1 1 4 4 SER CB C 4 63.790 63.790 64.080 -0.290 19906 4 1 . 1 1 5 5 GLU N N 5 121.960 121.960 123.233 -1.273 19906 5 1 . 1 1 5 5 GLU HA H 5 4.410 4.410 4.500 -0.090 19906 6 1 . 1 1 5 5 GLU CA C 5 55.610 55.610 56.207 -0.597 19906 7 1 . 1 1 5 5 GLU CB C 5 31.950 31.950 30.209 1.741 19906 8 1 . 1 1 5 5 GLU H H 5 8.450 8.450 8.413 0.037 19906 9 1 . 1 1 6 6 VAL N N 6 122.170 122.170 122.612 -0.442 19906 10 1 . 1 1 6 6 VAL HA H 6 4.070 4.070 4.431 -0.361 19906 11 1 . 1 1 6 6 VAL CA C 6 56.380 56.380 59.545 -3.165 19906 12 1 . 1 1 6 6 VAL CB C 6 29.500 29.500 32.316 -2.816 19906 13 1 . 1 1 6 6 VAL H H 6 8.260 8.260 8.161 0.099 19906 14 1 . 1 1 9 9 LEU N N 9 123.830 123.830 123.120 0.710 19906 15 1 . 1 1 9 9 LEU HA H 9 4.490 4.490 4.576 -0.086 19906 16 1 . 1 1 9 9 LEU CA C 9 54.820 54.820 54.664 0.156 19906 17 1 . 1 1 9 9 LEU CB C 9 41.930 41.930 42.174 -0.244 19906 18 1 . 1 1 9 9 LEU H H 9 7.770 7.770 8.125 -0.355 19906 19 1 . 1 1 11 11 ASP HA H 11 4.730 4.730 4.748 -0.018 19906 20 1 . 1 1 11 11 ASP CA C 11 53.060 53.060 53.300 -0.240 19906 21 1 . 1 1 11 11 ASP CB C 11 38.110 38.110 41.965 -3.855 19906 22 1 . 1 1 12 12 LEU N N 12 122.730 122.730 122.051 0.679 19906 23 1 . 1 1 12 12 LEU HA H 12 4.660 4.660 4.291 0.369 19906 24 1 . 1 1 12 12 LEU CA C 12 55.130 55.130 55.716 -0.586 19906 25 1 . 1 1 12 12 LEU CB C 12 43.390 43.390 42.661 0.729 19906 26 1 . 1 1 12 12 LEU H H 12 7.420 7.420 8.387 -0.967 19906 27 1 . 1 1 13 13 SER N N 13 120.760 120.760 118.698 2.062 19906 28 1 . 1 1 13 13 SER HA H 13 4.270 4.270 4.742 -0.472 19906 29 1 . 1 1 13 13 SER CA C 13 56.880 56.880 57.302 -0.422 19906 30 1 . 1 1 13 13 SER CB C 13 65.890 65.890 66.038 -0.148 19906 31 1 . 1 1 13 13 SER H H 13 9.020 9.020 8.159 0.861 19906 32 1 . 1 1 14 14 PHE N N 14 119.920 119.920 119.943 -0.023 19906 33 1 . 1 1 14 14 PHE HA H 14 5.510 5.510 4.960 0.550 19906 34 1 . 1 1 14 14 PHE CA C 14 56.760 56.760 56.771 -0.011 19906 35 1 . 1 1 14 14 PHE CB C 14 39.930 39.930 41.488 -1.558 19906 36 1 . 1 1 14 14 PHE H H 14 8.370 8.370 8.673 -0.303 19906 37 1 . 1 1 15 15 VAL N N 15 117.820 117.820 116.730 1.090 19906 38 1 . 1 1 15 15 VAL HA H 15 4.680 4.680 4.547 0.133 19906 39 1 . 1 1 15 15 VAL CA C 15 58.880 58.880 60.546 -1.666 19906 40 1 . 1 1 15 15 VAL CB C 15 36.900 36.900 35.435 1.465 19906 41 1 . 1 1 15 15 VAL H H 15 9.100 9.100 8.516 0.584 19906 42 1 . 1 1 16 16 ASP N N 16 116.850 116.850 119.122 -2.272 19906 43 1 . 1 1 16 16 ASP HA H 16 4.190 4.190 4.282 -0.092 19906 44 1 . 1 1 16 16 ASP CA C 16 54.550 54.550 55.432 -0.882 19906 45 1 . 1 1 16 16 ASP CB C 16 38.920 38.920 39.848 -0.928 19906 46 1 . 1 1 16 16 ASP H H 16 8.520 8.520 8.779 -0.259 19906 47 1 . 1 1 17 17 ILE N N 17 118.600 118.600 119.415 -0.815 19906 48 1 . 1 1 17 17 ILE HA H 17 4.150 4.150 3.978 0.172 19906 49 1 . 1 1 17 17 ILE CA C 17 63.190 63.190 62.781 0.409 19906 50 1 . 1 1 17 17 ILE CB C 17 37.770 37.770 38.575 -0.805 19906 51 1 . 1 1 17 17 ILE H H 17 8.150 8.150 7.967 0.183 19906 52 1 . 1 1 18 18 THR N N 18 122.160 122.160 121.619 0.541 19906 53 1 . 1 1 18 18 THR HA H 18 4.910 4.910 4.591 0.319 19906 54 1 . 1 1 18 18 THR CA C 18 60.570 60.570 61.027 -0.457 19906 55 1 . 1 1 18 18 THR CB C 18 70.600 70.600 70.422 0.178 19906 56 1 . 1 1 18 18 THR H H 18 8.740 8.740 8.107 0.633 19906 57 1 . 1 1 19 19 ASP N N 19 115.600 115.600 121.103 -5.503 19906 58 1 . 1 1 19 19 ASP HA H 19 4.480 4.480 4.595 -0.115 19906 59 1 . 1 1 19 19 ASP CA C 19 54.880 54.880 55.727 -0.847 19906 60 1 . 1 1 19 19 ASP CB C 19 40.430 40.430 40.487 -0.057 19906 61 1 . 1 1 19 19 ASP H H 19 8.450 8.450 8.510 -0.060 19906 62 1 . 1 1 20 20 SER N N 20 108.500 108.500 113.806 -5.306 19906 63 1 . 1 1 20 20 SER HA H 20 4.620 4.620 4.726 -0.106 19906 64 1 . 1 1 20 20 SER CA C 20 57.660 57.660 57.877 -0.218 19906 65 1 . 1 1 20 20 SER CB C 20 66.090 66.090 64.029 2.061 19906 66 1 . 1 1 20 20 SER H H 20 8.120 8.120 7.976 0.144 19906 67 1 . 1 1 21 21 SER N N 21 116.590 116.590 114.600 1.990 19906 68 1 . 1 1 21 21 SER HA H 21 5.230 5.230 5.257 -0.027 19906 69 1 . 1 1 21 21 SER CA C 21 56.730 56.730 57.370 -0.640 19906 70 1 . 1 1 21 21 SER CB C 21 66.730 66.730 66.001 0.729 19906 71 1 . 1 1 21 21 SER H H 21 7.530 7.530 7.609 -0.079 19906 72 1 . 1 1 22 22 ILE N N 22 113.850 113.850 116.316 -2.466 19906 73 1 . 1 1 22 22 ILE HA H 22 4.490 4.490 4.815 -0.325 19906 74 1 . 1 1 22 22 ILE CA C 22 60.320 60.320 59.167 1.153 19906 75 1 . 1 1 22 22 ILE CB C 22 42.650 42.650 42.072 0.578 19906 76 1 . 1 1 22 22 ILE H H 22 8.210 8.210 7.964 0.246 19906 77 1 . 1 1 23 23 GLY N N 23 112.950 112.950 112.329 0.621 19906 78 1 . 1 1 23 23 GLY CA C 23 44.110 44.110 44.011 0.099 19906 79 1 . 1 1 23 23 GLY H H 23 8.300 8.300 8.476 -0.176 19906 80 1 . 1 1 24 24 LEU N N 24 123.740 123.740 126.086 -2.346 19906 81 1 . 1 1 24 24 LEU HA H 24 4.820 4.820 4.231 0.589 19906 82 1 . 1 1 24 24 LEU CA C 24 53.930 53.930 55.538 -1.608 19906 83 1 . 1 1 24 24 LEU CB C 24 42.470 42.470 42.149 0.321 19906 84 1 . 1 1 24 24 LEU H H 24 8.820 8.820 7.786 1.034 19906 85 1 . 1 1 25 25 ARG N N 25 119.980 119.980 124.437 -4.457 19906 86 1 . 1 1 25 25 ARG HA H 25 4.890 4.890 4.712 0.178 19906 87 1 . 1 1 25 25 ARG CA C 25 54.040 54.040 54.992 -0.952 19906 88 1 . 1 1 25 25 ARG CB C 25 33.850 33.850 34.290 -0.441 19906 89 1 . 1 1 25 25 ARG H H 25 8.570 8.570 7.986 0.584 19906 90 1 . 1 1 26 26 TRP N N 26 122.480 122.480 124.670 -2.190 19906 91 1 . 1 1 26 26 TRP HA H 26 4.840 4.840 5.052 -0.212 19906 92 1 . 1 1 26 26 TRP CA C 26 56.790 56.790 55.974 0.816 19906 93 1 . 1 1 26 26 TRP CB C 26 31.460 31.460 31.106 0.354 19906 94 1 . 1 1 26 26 TRP H H 26 7.960 7.960 7.738 0.222 19906 95 1 . 1 1 27 27 THR N N 27 119.820 119.820 118.685 1.135 19906 96 1 . 1 1 27 27 THR HA H 27 4.750 4.750 4.570 0.180 19906 97 1 . 1 1 27 27 THR CA C 27 60.690 60.690 60.076 0.614 19906 98 1 . 1 1 27 27 THR CB C 27 68.460 68.460 68.872 -0.412 19906 99 1 . 1 1 27 27 THR H H 27 9.780 9.780 8.385 1.395 19906 100 1 . 1 1 28 28 PRO HA H 28 4.470 4.470 4.394 0.076 19906 101 1 . 1 1 28 28 PRO CA C 28 63.260 63.260 63.192 0.068 19906 102 1 . 1 1 28 28 PRO CB C 28 31.980 31.980 32.235 -0.255 19906 103 1 . 1 1 29 29 LEU N N 29 124.220 124.220 121.868 2.352 19906 104 1 . 1 1 29 29 LEU HA H 29 4.490 4.490 4.476 0.014 19906 105 1 . 1 1 29 29 LEU CA C 29 54.150 54.150 54.439 -0.289 19906 106 1 . 1 1 29 29 LEU CB C 29 43.040 43.040 42.515 0.525 19906 107 1 . 1 1 29 29 LEU H H 29 8.570 8.570 8.281 0.289 19906 108 1 . 1 1 30 30 ASN N N 30 119.950 119.950 121.785 -1.835 19906 109 1 . 1 1 30 30 ASN HA H 30 4.700 4.700 4.418 0.282 19906 110 1 . 1 1 30 30 ASN CA C 30 53.570 53.570 55.624 -2.054 19906 111 1 . 1 1 30 30 ASN CB C 30 38.340 38.340 38.513 -0.173 19906 112 1 . 1 1 30 30 ASN H H 30 8.630 8.630 8.943 -0.313 19906 113 1 . 1 1 31 31 SER N N 31 114.290 114.290 113.708 0.582 19906 114 1 . 1 1 31 31 SER HA H 31 4.560 4.560 4.452 0.108 19906 115 1 . 1 1 31 31 SER CA C 31 57.500 57.500 59.310 -1.810 19906 116 1 . 1 1 31 31 SER CB C 31 63.480 63.480 63.547 -0.067 19906 117 1 . 1 1 31 31 SER H H 31 8.090 8.090 8.211 -0.121 19906 118 1 . 1 1 32 32 SER HA H 32 4.560 4.560 4.405 0.155 19906 119 1 . 1 1 32 32 SER CA C 32 58.140 58.140 59.132 -0.992 19906 120 1 . 1 1 32 32 SER CB C 32 63.730 63.730 63.818 -0.088 19906 121 1 . 1 1 33 33 THR N N 33 114.160 114.160 119.095 -4.935 19906 122 1 . 1 1 33 33 THR HA H 33 4.300 4.300 4.220 0.080 19906 123 1 . 1 1 33 33 THR CA C 33 63.620 63.620 63.211 0.409 19906 124 1 . 1 1 33 33 THR CB C 33 69.530 69.530 69.442 0.088 19906 125 1 . 1 1 33 33 THR H H 33 8.000 8.000 8.209 -0.209 19906 126 1 . 1 1 34 34 ILE N N 34 121.090 121.090 125.538 -4.448 19906 127 1 . 1 1 34 34 ILE HA H 34 4.300 4.300 4.247 0.053 19906 128 1 . 1 1 34 34 ILE CA C 34 61.920 61.920 60.015 1.905 19906 129 1 . 1 1 34 34 ILE CB C 34 38.080 38.080 35.955 2.125 19906 130 1 . 1 1 34 34 ILE H H 34 7.980 7.980 8.438 -0.458 19906 131 1 . 1 1 35 35 ILE N N 35 126.230 126.230 121.313 4.917 19906 132 1 . 1 1 35 35 ILE HA H 35 4.220 4.220 4.405 -0.185 19906 133 1 . 1 1 35 35 ILE CA C 35 61.720 61.720 59.271 2.449 19906 134 1 . 1 1 35 35 ILE CB C 35 38.790 38.790 41.363 -2.573 19906 135 1 . 1 1 35 35 ILE H H 35 8.810 8.810 7.522 1.288 19906 136 1 . 1 1 36 36 GLY CA C 36 45.520 45.520 45.628 -0.108 19906 137 1 . 1 1 37 37 TYR N N 37 120.400 120.400 124.280 -3.880 19906 138 1 . 1 1 37 37 TYR HA H 37 5.070 5.070 4.594 0.476 19906 139 1 . 1 1 37 37 TYR CA C 37 57.930 57.930 56.967 0.963 19906 140 1 . 1 1 37 37 TYR CB C 37 38.950 38.950 40.345 -1.395 19906 141 1 . 1 1 37 37 TYR H H 37 7.340 7.340 7.948 -0.608 19906 142 1 . 1 1 38 38 ARG HA H 38 5.150 5.150 4.664 0.486 19906 143 1 . 1 1 38 38 ARG CA C 38 54.450 54.450 54.513 -0.063 19906 144 1 . 1 1 38 38 ARG CB C 38 31.530 31.530 32.465 -0.935 19906 145 1 . 1 1 39 39 ILE N N 39 129.570 129.570 124.200 5.370 19906 146 1 . 1 1 39 39 ILE HA H 39 5.060 5.060 4.454 0.606 19906 147 1 . 1 1 39 39 ILE CA C 39 60.030 60.030 60.083 -0.053 19906 148 1 . 1 1 39 39 ILE CB C 39 40.780 40.780 38.656 2.124 19906 149 1 . 1 1 39 39 ILE H H 39 9.040 9.040 8.093 0.947 19906 150 1 . 1 1 40 40 THR N N 40 120.430 120.430 122.348 -1.918 19906 151 1 . 1 1 40 40 THR HA H 40 5.210 5.210 4.587 0.623 19906 152 1 . 1 1 40 40 THR CA C 40 61.130 61.130 61.818 -0.688 19906 153 1 . 1 1 40 40 THR CB C 40 71.090 71.090 70.528 0.562 19906 154 1 . 1 1 40 40 THR H H 40 8.880 8.880 8.018 0.862 19906 155 1 . 1 1 41 41 VAL HA H 41 5.030 5.030 4.543 0.487 19906 156 1 . 1 1 41 41 VAL CA C 41 61.280 61.280 60.014 1.266 19906 157 1 . 1 1 41 41 VAL CB C 41 33.800 33.800 34.547 -0.747 19906 158 1 . 1 1 41 41 VAL H H 41 8.820 8.820 8.505 0.315 19906 159 1 . 1 1 42 42 VAL N N 42 127.670 127.670 126.800 0.870 19906 160 1 . 1 1 42 42 VAL HA H 42 4.650 4.650 4.341 0.309 19906 161 1 . 1 1 42 42 VAL CA C 42 60.320 60.320 60.305 0.015 19906 162 1 . 1 1 42 42 VAL CB C 42 35.800 35.800 36.271 -0.471 19906 163 1 . 1 1 42 42 VAL H H 42 9.100 9.100 9.220 -0.120 19906 164 1 . 1 1 43 43 ALA N N 43 131.340 131.340 128.547 2.793 19906 165 1 . 1 1 43 43 ALA HA H 43 4.410 4.410 3.874 0.536 19906 166 1 . 1 1 43 43 ALA CA C 43 52.420 52.420 50.748 1.672 19906 167 1 . 1 1 43 43 ALA CB C 43 18.750 18.750 19.672 -0.922 19906 168 1 . 1 1 43 43 ALA H H 43 9.420 9.420 8.429 0.991 19906 169 1 . 1 1 44 44 ALA N N 44 126.040 126.040 125.928 0.112 19906 170 1 . 1 1 44 44 ALA HA H 44 4.120 4.120 4.301 -0.180 19906 171 1 . 1 1 44 44 ALA CA C 44 53.790 53.790 53.266 0.524 19906 172 1 . 1 1 44 44 ALA CB C 44 18.680 18.680 19.653 -0.973 19906 173 1 . 1 1 44 44 ALA H H 44 8.260 8.260 7.982 0.278 19906 174 1 . 1 1 45 45 GLY CA C 45 45.620 45.620 45.140 0.480 19906 175 1 . 1 1 45 45 GLY H H 45 8.700 8.700 8.122 0.578 19906 176 1 . 1 1 46 46 GLU N N 46 119.650 119.650 119.122 0.528 19906 177 1 . 1 1 46 46 GLU HA H 46 4.470 4.470 4.434 0.036 19906 178 1 . 1 1 46 46 GLU CA C 46 55.870 55.870 55.316 0.554 19906 179 1 . 1 1 46 46 GLU CB C 46 30.520 30.520 31.199 -0.679 19906 180 1 . 1 1 46 46 GLU H H 46 8.110 8.110 7.387 0.723 19906 181 1 . 1 1 47 47 GLY N N 47 107.160 107.160 110.384 -3.224 19906 182 1 . 1 1 47 47 GLY CA C 47 45.910 45.910 45.863 0.047 19906 183 1 . 1 1 47 47 GLY H H 47 8.400 8.400 8.648 -0.248 19906 184 1 . 1 1 48 48 ILE N N 48 120.010 120.010 121.315 -1.305 19906 185 1 . 1 1 48 48 ILE HA H 48 4.620 4.620 4.338 0.282 19906 186 1 . 1 1 48 48 ILE CA C 48 58.500 58.500 58.003 0.497 19906 187 1 . 1 1 48 48 ILE CB C 48 39.400 39.400 40.731 -1.331 19906 188 1 . 1 1 48 48 ILE H H 48 7.440 7.440 7.450 -0.010 19906 189 1 . 1 1 49 49 PRO HA H 49 4.530 4.530 4.527 0.003 19906 190 1 . 1 1 49 49 PRO CA C 49 63.590 63.590 62.086 1.504 19906 191 1 . 1 1 49 49 PRO CB C 49 31.880 31.880 32.288 -0.408 19906 192 1 . 1 1 50 50 ILE N N 50 122.120 122.120 119.854 2.266 19906 193 1 . 1 1 50 50 ILE HA H 50 4.150 4.150 3.985 0.165 19906 194 1 . 1 1 50 50 ILE CA C 50 63.310 63.310 61.117 2.193 19906 195 1 . 1 1 50 50 ILE CB C 50 38.020 38.020 38.722 -0.702 19906 196 1 . 1 1 50 50 ILE H H 50 8.720 8.720 7.971 0.749 19906 197 1 . 1 1 51 51 PHE HA H 51 4.770 4.770 4.462 0.308 19906 198 1 . 1 1 51 51 PHE CA C 51 57.900 57.900 58.097 -0.197 19906 199 1 . 1 1 51 51 PHE CB C 51 41.870 41.870 39.508 2.362 19906 200 1 . 1 1 52 52 GLU HA H 52 5.350 5.350 4.236 1.114 19906 201 1 . 1 1 52 52 GLU CA C 52 55.140 55.140 55.880 -0.740 19906 202 1 . 1 1 52 52 GLU CB C 52 32.030 32.030 30.702 1.328 19906 203 1 . 1 1 53 53 ASP N N 53 122.750 122.750 120.097 2.653 19906 204 1 . 1 1 53 53 ASP HA H 53 5.000 5.000 4.817 0.182 19906 205 1 . 1 1 53 53 ASP CA C 53 52.950 52.950 53.251 -0.301 19906 206 1 . 1 1 53 53 ASP CB C 53 44.770 44.770 44.407 0.363 19906 207 1 . 1 1 53 53 ASP H H 53 8.850 8.850 7.819 1.031 19906 208 1 . 1 1 54 54 PHE N N 54 121.100 121.100 119.941 1.159 19906 209 1 . 1 1 54 54 PHE HA H 54 5.380 5.380 5.034 0.346 19906 210 1 . 1 1 54 54 PHE CA C 54 56.180 56.180 56.829 -0.650 19906 211 1 . 1 1 54 54 PHE CB C 54 42.110 42.110 40.601 1.509 19906 212 1 . 1 1 54 54 PHE H H 54 8.770 8.770 8.614 0.156 19906 213 1 . 1 1 55 55 VAL N N 55 125.760 125.760 124.406 1.354 19906 214 1 . 1 1 55 55 VAL HA H 55 4.320 4.320 4.411 -0.091 19906 215 1 . 1 1 55 55 VAL CA C 55 59.140 59.140 59.571 -0.431 19906 216 1 . 1 1 55 55 VAL CB C 55 34.940 34.940 35.977 -1.037 19906 217 1 . 1 1 55 55 VAL H H 55 8.290 8.290 8.182 0.108 19906 218 1 . 1 1 56 56 ASP N N 56 127.100 127.100 127.841 -0.741 19906 219 1 . 1 1 56 56 ASP HA H 56 4.560 4.560 4.567 -0.007 19906 220 1 . 1 1 56 56 ASP CA C 56 54.980 54.980 54.835 0.145 19906 221 1 . 1 1 56 56 ASP CB C 56 42.730 42.730 41.610 1.120 19906 222 1 . 1 1 56 56 ASP H H 56 8.460 8.460 8.632 -0.172 19906 223 1 . 1 1 57 57 SER N N 57 119.630 119.630 117.611 2.019 19906 224 1 . 1 1 57 57 SER HA H 57 4.330 4.330 4.454 -0.124 19906 225 1 . 1 1 57 57 SER CA C 57 60.630 60.630 61.340 -0.710 19906 226 1 . 1 1 57 57 SER CB C 57 62.680 62.680 63.378 -0.698 19906 227 1 . 1 1 57 57 SER H H 57 8.260 8.260 8.703 -0.443 19906 228 1 . 1 1 58 58 SER N N 58 117.030 117.030 115.609 1.421 19906 229 1 . 1 1 58 58 SER HA H 58 4.400 4.400 4.271 0.129 19906 230 1 . 1 1 58 58 SER CA C 58 60.430 60.430 60.804 -0.373 19906 231 1 . 1 1 58 58 SER CB C 58 63.700 63.700 62.946 0.754 19906 232 1 . 1 1 58 58 SER H H 58 9.080 9.080 8.266 0.814 19906 233 1 . 1 1 59 59 VAL N N 59 119.350 119.350 119.649 -0.299 19906 234 1 . 1 1 59 59 VAL HA H 59 3.790 3.790 3.730 0.060 19906 235 1 . 1 1 59 59 VAL CA C 59 65.670 65.670 63.852 1.818 19906 236 1 . 1 1 59 59 VAL CB C 59 32.400 32.400 31.485 0.915 19906 237 1 . 1 1 59 59 VAL H H 59 7.570 7.570 7.420 0.150 19906 238 1 . 1 1 60 60 GLY N N 60 104.070 104.070 107.360 -3.290 19906 239 1 . 1 1 60 60 GLY CA C 60 44.430 44.430 45.617 -1.187 19906 240 1 . 1 1 60 60 GLY H H 60 6.120 6.120 7.781 -1.661 19906 241 1 . 1 1 61 61 TYR N N 61 117.690 117.690 116.959 0.731 19906 242 1 . 1 1 61 61 TYR HA H 61 5.030 5.030 4.894 0.136 19906 243 1 . 1 1 61 61 TYR CA C 61 56.320 56.320 55.458 0.862 19906 244 1 . 1 1 61 61 TYR CB C 61 41.700 41.700 40.773 0.927 19906 245 1 . 1 1 61 61 TYR H H 61 6.080 6.080 7.149 -1.069 19906 246 1 . 1 1 62 62 TYR N N 62 126.650 126.650 122.704 3.946 19906 247 1 . 1 1 62 62 TYR HA H 62 4.440 4.440 4.643 -0.203 19906 248 1 . 1 1 62 62 TYR CA C 62 58.560 58.560 57.549 1.011 19906 249 1 . 1 1 62 62 TYR CB C 62 43.550 43.550 43.000 0.550 19906 250 1 . 1 1 62 62 TYR H H 62 8.440 8.440 8.277 0.163 19906 251 1 . 1 1 63 63 THR N N 63 122.160 122.160 118.361 3.799 19906 252 1 . 1 1 63 63 THR HA H 63 4.780 4.780 4.698 0.082 19906 253 1 . 1 1 63 63 THR CA C 63 61.610 61.610 60.755 0.855 19906 254 1 . 1 1 63 63 THR CB C 63 69.810 69.810 70.439 -0.629 19906 255 1 . 1 1 63 63 THR H H 63 7.380 7.380 7.076 0.304 19906 256 1 . 1 1 64 64 VAL N N 64 127.940 127.940 123.829 4.111 19906 257 1 . 1 1 64 64 VAL HA H 64 3.660 3.660 4.638 -0.978 19906 258 1 . 1 1 64 64 VAL CA C 64 61.840 61.840 60.723 1.117 19906 259 1 . 1 1 64 64 VAL CB C 64 31.840 31.840 32.418 -0.578 19906 260 1 . 1 1 64 64 VAL H H 64 8.860 8.860 8.223 0.637 19906 261 1 . 1 1 65 65 THR N N 65 116.150 116.150 116.219 -0.069 19906 262 1 . 1 1 65 65 THR HA H 65 4.640 4.640 5.131 -0.491 19906 263 1 . 1 1 65 65 THR CA C 65 59.470 59.470 59.640 -0.170 19906 264 1 . 1 1 65 65 THR CB C 65 71.160 71.160 71.221 -0.061 19906 265 1 . 1 1 65 65 THR H H 65 7.290 7.290 8.191 -0.901 19906 266 1 . 1 1 66 66 GLY N N 66 105.560 105.560 109.278 -3.718 19906 267 1 . 1 1 66 66 GLY CA C 66 45.860 45.860 44.869 0.991 19906 268 1 . 1 1 66 66 GLY H H 66 8.450 8.450 8.398 0.052 19906 269 1 . 1 1 67 67 LEU N N 67 119.080 119.080 120.992 -1.912 19906 270 1 . 1 1 67 67 LEU HA H 67 4.180 4.180 3.985 0.195 19906 271 1 . 1 1 67 67 LEU CA C 67 53.380 53.380 52.997 0.383 19906 272 1 . 1 1 67 67 LEU CB C 67 41.630 41.630 41.218 0.412 19906 273 1 . 1 1 67 67 LEU H H 67 7.850 7.850 7.587 0.263 19906 274 1 . 1 1 68 68 GLU N N 68 120.030 120.030 123.665 -3.635 19906 275 1 . 1 1 68 68 GLU HA H 68 4.920 4.920 4.315 0.605 19906 276 1 . 1 1 68 68 GLU CA C 68 52.510 52.510 55.054 -2.544 19906 277 1 . 1 1 68 68 GLU CB C 68 31.040 31.040 29.197 1.843 19906 278 1 . 1 1 68 68 GLU H H 68 8.500 8.500 8.308 0.192 19906 279 1 . 1 1 69 69 PRO HA H 69 4.470 4.470 4.417 0.053 19906 280 1 . 1 1 69 69 PRO CA C 69 62.740 62.740 63.114 -0.374 19906 281 1 . 1 1 69 69 PRO CB C 69 31.410 31.410 32.180 -0.770 19906 282 1 . 1 1 70 70 GLY N N 70 106.940 106.940 109.107 -2.167 19906 283 1 . 1 1 70 70 GLY CA C 70 45.830 45.830 45.612 0.218 19906 284 1 . 1 1 70 70 GLY H H 70 8.500 8.500 8.764 -0.264 19906 285 1 . 1 1 71 71 ILE N N 71 120.080 120.080 120.823 -0.743 19906 286 1 . 1 1 71 71 ILE HA H 71 4.080 4.080 4.222 -0.142 19906 287 1 . 1 1 71 71 ILE CA C 71 58.710 58.710 60.010 -1.300 19906 288 1 . 1 1 71 71 ILE CB C 71 40.410 40.410 40.199 0.211 19906 289 1 . 1 1 71 71 ILE H H 71 7.510 7.510 7.459 0.051 19906 290 1 . 1 1 72 72 ASP N N 72 124.920 124.920 127.093 -2.174 19906 291 1 . 1 1 72 72 ASP HA H 72 4.930 4.930 4.641 0.289 19906 292 1 . 1 1 72 72 ASP CA C 72 54.260 54.260 53.622 0.638 19906 293 1 . 1 1 72 72 ASP CB C 72 41.120 41.120 41.294 -0.174 19906 294 1 . 1 1 72 72 ASP H H 72 8.190 8.190 8.515 -0.325 19906 295 1 . 1 1 73 73 TYR N N 73 122.440 122.440 125.080 -2.640 19906 296 1 . 1 1 73 73 TYR HA H 73 5.070 5.070 4.779 0.291 19906 297 1 . 1 1 73 73 TYR CA C 73 57.390 57.390 57.547 -0.157 19906 298 1 . 1 1 73 73 TYR CB C 73 40.550 40.550 40.544 0.006 19906 299 1 . 1 1 73 73 TYR H H 73 9.310 9.310 8.409 0.901 19906 300 1 . 1 1 74 74 ASP N N 74 122.980 122.980 125.431 -2.451 19906 301 1 . 1 1 74 74 ASP HA H 74 5.220 5.220 4.917 0.303 19906 302 1 . 1 1 74 74 ASP CA C 74 53.900 53.900 54.086 -0.186 19906 303 1 . 1 1 74 74 ASP CB C 74 42.120 42.120 41.589 0.531 19906 304 1 . 1 1 74 74 ASP H H 74 9.290 9.290 8.910 0.380 19906 305 1 . 1 1 75 75 ILE N N 75 124.270 124.270 120.187 4.083 19906 306 1 . 1 1 75 75 ILE HA H 75 5.470 5.470 4.891 0.579 19906 307 1 . 1 1 75 75 ILE CA C 75 58.400 58.400 58.311 0.089 19906 308 1 . 1 1 75 75 ILE CB C 75 40.900 40.900 40.679 0.221 19906 309 1 . 1 1 75 75 ILE H H 75 8.810 8.810 8.303 0.507 19906 310 1 . 1 1 76 76 SER N N 76 121.300 121.300 116.843 4.457 19906 311 1 . 1 1 76 76 SER HA H 76 5.800 5.800 4.718 1.082 19906 312 1 . 1 1 76 76 SER CA C 76 56.340 56.340 57.938 -1.598 19906 313 1 . 1 1 76 76 SER CB C 76 66.180 66.180 64.990 1.190 19906 314 1 . 1 1 76 76 SER H H 76 8.760 8.760 8.607 0.153 19906 315 1 . 1 1 77 77 VAL N N 77 124.740 124.740 125.242 -0.502 19906 316 1 . 1 1 77 77 VAL HA H 77 4.760 4.760 4.226 0.534 19906 317 1 . 1 1 77 77 VAL CA C 77 61.190 61.190 61.569 -0.379 19906 318 1 . 1 1 77 77 VAL CB C 77 33.270 33.270 31.958 1.312 19906 319 1 . 1 1 77 77 VAL H H 77 9.420 9.420 8.454 0.966 19906 320 1 . 1 1 78 78 ILE N N 78 126.300 126.300 129.022 -2.722 19906 321 1 . 1 1 78 78 ILE HA H 78 4.710 4.710 4.228 0.482 19906 322 1 . 1 1 78 78 ILE CA C 78 61.160 61.160 60.825 0.335 19906 323 1 . 1 1 78 78 ILE CB C 78 41.050 41.050 38.846 2.204 19906 324 1 . 1 1 78 78 ILE H H 78 9.370 9.370 8.250 1.120 19906 325 1 . 1 1 79 79 THR N N 79 122.350 122.350 121.749 0.601 19906 326 1 . 1 1 79 79 THR HA H 79 4.280 4.280 4.383 -0.103 19906 327 1 . 1 1 79 79 THR CA C 79 64.260 64.260 61.458 2.802 19906 328 1 . 1 1 79 79 THR CB C 79 69.130 69.130 69.413 -0.283 19906 329 1 . 1 1 79 79 THR H H 79 8.550 8.550 8.361 0.189 19906 330 1 . 1 1 80 80 LEU N N 80 128.900 128.900 130.055 -1.155 19906 331 1 . 1 1 80 80 LEU HA H 80 4.730 4.730 4.706 0.025 19906 332 1 . 1 1 80 80 LEU CA C 80 54.060 54.060 54.376 -0.316 19906 333 1 . 1 1 80 80 LEU CB C 80 41.470 41.470 43.985 -2.515 19906 334 1 . 1 1 80 80 LEU H H 80 8.660 8.660 8.646 0.014 19906 335 1 . 1 1 81 81 ILE N N 81 121.640 121.640 120.308 1.332 19906 336 1 . 1 1 81 81 ILE HA H 81 4.870 4.870 4.470 0.400 19906 337 1 . 1 1 81 81 ILE CA C 81 59.300 59.300 59.870 -0.570 19906 338 1 . 1 1 81 81 ILE CB C 81 40.510 40.510 41.367 -0.857 19906 339 1 . 1 1 81 81 ILE H H 81 8.350 8.350 7.992 0.358 19906 340 1 . 1 1 82 82 ASN N N 82 123.240 123.240 122.072 1.168 19906 341 1 . 1 1 82 82 ASN HA H 82 4.640 4.640 4.576 0.064 19906 342 1 . 1 1 82 82 ASN CA C 82 53.450 53.450 54.573 -1.123 19906 343 1 . 1 1 82 82 ASN CB C 82 38.940 38.940 39.190 -0.250 19906 344 1 . 1 1 82 82 ASN H H 82 8.820 8.820 8.734 0.086 19906 345 1 . 1 1 83 83 GLY N N 83 112.680 112.680 108.068 4.612 19906 346 1 . 1 1 83 83 GLY CA C 83 45.420 45.420 44.863 0.557 19906 347 1 . 1 1 83 83 GLY H H 83 8.630 8.630 8.386 0.244 19906 348 1 . 1 1 84 84 GLY N N 84 108.560 108.560 109.103 -0.543 19906 349 1 . 1 1 84 84 GLY CA C 84 45.190 45.190 44.606 0.584 19906 350 1 . 1 1 84 84 GLY H H 84 8.280 8.280 8.275 0.005 19906 351 1 . 1 1 85 85 GLU N N 85 120.690 120.690 121.251 -0.561 19906 352 1 . 1 1 85 85 GLU HA H 85 4.320 4.320 4.340 -0.020 19906 353 1 . 1 1 85 85 GLU CA C 85 56.480 56.480 56.332 0.148 19906 354 1 . 1 1 85 85 GLU CB C 85 30.480 30.480 30.345 0.135 19906 355 1 . 1 1 85 85 GLU H H 85 8.460 8.460 8.395 0.065 19906 356 1 . 1 1 86 86 SER N N 86 116.860 116.860 118.053 -1.193 19906 357 1 . 1 1 86 86 SER HA H 86 4.430 4.430 4.408 0.022 19906 358 1 . 1 1 86 86 SER CA C 86 57.920 57.920 58.662 -0.742 19906 359 1 . 1 1 86 86 SER CB C 86 63.720 63.720 63.692 0.028 19906 360 1 . 1 1 86 86 SER H H 86 8.350 8.350 8.427 -0.077 19906 361 1 . 1 1 87 87 ALA N N 87 126.890 126.890 126.029 0.861 19906 362 1 . 1 1 87 87 ALA HA H 87 4.580 4.580 4.398 0.182 19906 363 1 . 1 1 87 87 ALA CA C 87 50.450 50.450 51.614 -1.164 19906 364 1 . 1 1 87 87 ALA CB C 87 18.110 18.110 18.082 0.028 19906 365 1 . 1 1 87 87 ALA H H 87 8.240 8.240 8.413 -0.173 19906 366 1 . 1 1 88 88 PRO HA H 88 4.470 4.470 4.483 -0.013 19906 367 1 . 1 1 88 88 PRO CA C 88 62.960 62.960 63.055 -0.095 19906 368 1 . 1 1 88 88 PRO CB C 88 31.460 31.460 32.125 -0.665 19906 369 1 . 1 1 89 89 THR N N 89 114.280 114.280 115.778 -1.498 19906 370 1 . 1 1 89 89 THR HA H 89 4.340 4.340 4.487 -0.147 19906 371 1 . 1 1 89 89 THR CA C 89 62.320 62.320 61.831 0.489 19906 372 1 . 1 1 89 89 THR CB C 89 69.530 69.530 69.848 -0.318 19906 373 1 . 1 1 89 89 THR H H 89 8.270 8.270 8.049 0.221 19906 374 1 . 1 1 90 90 THR N N 90 116.290 116.290 117.989 -1.699 19906 375 1 . 1 1 90 90 THR HA H 90 4.330 4.330 4.516 -0.186 19906 376 1 . 1 1 90 90 THR CA C 90 61.890 61.890 61.387 0.503 19906 377 1 . 1 1 90 90 THR CB C 90 69.500 69.500 70.058 -0.558 19906 378 1 . 1 1 90 90 THR H H 90 8.090 8.090 8.214 -0.124 19906 379 1 . 1 1 91 91 LEU N N 91 124.660 124.660 123.897 0.762 19906 380 1 . 1 1 91 91 LEU HA H 91 4.410 4.410 4.544 -0.134 19906 381 1 . 1 1 91 91 LEU CA C 91 55.590 55.590 54.694 0.895 19906 382 1 . 1 1 91 91 LEU CB C 91 41.600 41.600 42.413 -0.813 19906 383 1 . 1 1 91 91 LEU H H 91 8.290 8.290 8.324 -0.034 19906 384 1 . 1 1 92 92 THR N N 92 115.030 115.030 115.792 -0.762 19906 385 1 . 1 1 92 92 THR HA H 92 4.300 4.300 4.362 -0.062 19906 386 1 . 1 1 92 92 THR CA C 92 61.890 61.890 61.573 0.317 19906 387 1 . 1 1 92 92 THR CB C 92 69.500 69.500 69.665 -0.165 19906 388 1 . 1 1 92 92 THR H H 92 8.100 8.100 8.200 -0.100 19906 389 1 . 1 1 93 93 GLN N N 93 123.200 123.200 122.898 0.302 19906 390 1 . 1 1 93 93 GLN HA H 93 4.350 4.350 4.299 0.051 19906 391 1 . 1 1 93 93 GLN CA C 93 55.720 55.720 56.105 -0.385 19906 392 1 . 1 1 93 93 GLN CB C 93 29.050 29.050 29.017 0.033 19906 393 1 . 1 1 93 93 GLN H H 93 8.380 8.380 8.473 -0.093 19906 394 1 . 1 1 94 94 GLN N N 94 122.720 122.720 122.667 0.053 19906 395 1 . 1 1 94 94 GLN HA H 94 4.400 4.400 4.226 0.174 19906 396 1 . 1 1 94 94 GLN CA C 94 55.780 55.780 56.509 -0.729 19906 397 1 . 1 1 94 94 GLN CB C 94 29.100 29.100 28.912 0.188 19906 398 1 . 1 1 94 94 GLN H H 94 8.480 8.480 8.591 -0.111 19906 stop_ save_