data_19910 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19910 _Entry.PDB_ID 2MNW 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 19910 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 LEU N N 2 123.170 123.170 123.942 -0.772 19910 2 1 1 . 1 1 2 2 LEU HA H 2 4.588 4.588 4.765 -0.177 19910 3 1 1 . 1 1 2 2 LEU C C 2 176.260 176.260 176.505 -0.245 19910 4 1 1 . 1 1 2 2 LEU CA C 2 53.730 53.730 54.847 -1.117 19910 5 1 1 . 1 1 2 2 LEU CB C 2 44.290 44.290 43.396 0.894 19910 6 1 1 . 1 1 2 2 LEU H H 2 8.690 8.690 8.567 0.123 19910 7 1 1 . 1 1 3 3 THR N N 3 120.960 120.960 120.088 0.872 19910 8 1 1 . 1 1 3 3 THR HA H 3 5.193 5.193 4.490 0.703 19910 9 1 1 . 1 1 3 3 THR CA C 3 59.990 59.990 60.735 -0.745 19910 10 1 1 . 1 1 3 3 THR CB C 3 69.950 69.950 68.861 1.089 19910 11 1 1 . 1 1 3 3 THR H H 3 8.850 8.850 8.393 0.457 19910 12 1 1 . 1 1 4 4 PRO HA H 4 4.718 4.718 4.357 0.361 19910 13 1 1 . 1 1 4 4 PRO C C 4 175.870 175.870 177.153 -1.283 19910 14 1 1 . 1 1 4 4 PRO CA C 4 62.080 62.080 62.642 -0.562 19910 15 1 1 . 1 1 4 4 PRO CB C 4 31.950 31.950 32.107 -0.157 19910 16 1 1 . 1 1 5 5 ALA N N 5 122.560 122.560 126.914 -4.354 19910 17 1 1 . 1 1 5 5 ALA HA H 5 4.348 4.348 4.228 0.120 19910 18 1 1 . 1 1 5 5 ALA C C 5 176.360 176.360 176.310 0.050 19910 19 1 1 . 1 1 5 5 ALA CA C 5 52.280 52.280 51.117 1.163 19910 20 1 1 . 1 1 5 5 ALA CB C 5 18.880 18.880 17.451 1.429 19910 21 1 1 . 1 1 5 5 ALA H H 5 8.400 8.400 8.456 -0.056 19910 22 1 1 . 1 1 6 6 PHE N N 6 115.160 115.160 118.229 -3.069 19910 23 1 1 . 1 1 6 6 PHE HA H 6 5.537 5.537 4.432 1.105 19910 24 1 1 . 1 1 6 6 PHE C C 6 172.590 172.590 175.212 -2.622 19910 25 1 1 . 1 1 6 6 PHE CA C 6 55.430 55.430 57.702 -2.272 19910 26 1 1 . 1 1 6 6 PHE CB C 6 42.240 42.240 39.615 2.625 19910 27 1 1 . 1 1 6 6 PHE H H 6 7.740 7.740 7.904 -0.164 19910 28 1 1 . 1 1 7 7 ASP N N 7 118.960 118.960 119.526 -0.566 19910 29 1 1 . 1 1 7 7 ASP HA H 7 4.813 4.813 4.811 0.002 19910 30 1 1 . 1 1 7 7 ASP C C 7 174.530 174.530 173.888 0.642 19910 31 1 1 . 1 1 7 7 ASP CA C 7 53.370 53.370 53.671 -0.301 19910 32 1 1 . 1 1 7 7 ASP CB C 7 45.380 45.380 44.822 0.558 19910 33 1 1 . 1 1 7 7 ASP H H 7 8.910 8.910 8.618 0.292 19910 34 1 1 . 1 1 8 8 LEU N N 8 123.470 123.470 120.799 2.671 19910 35 1 1 . 1 1 8 8 LEU HA H 8 5.284 5.284 4.607 0.677 19910 36 1 1 . 1 1 8 8 LEU C C 8 175.420 175.420 176.126 -0.706 19910 37 1 1 . 1 1 8 8 LEU CA C 8 53.850 53.850 53.570 0.280 19910 38 1 1 . 1 1 8 8 LEU CB C 8 45.620 45.620 44.257 1.363 19910 39 1 1 . 1 1 8 8 LEU H H 8 8.750 8.750 8.329 0.421 19910 40 1 1 . 1 1 9 9 SER N N 9 115.920 115.920 117.009 -1.089 19910 41 1 1 . 1 1 9 9 SER HA H 9 4.486 4.486 4.808 -0.322 19910 42 1 1 . 1 1 9 9 SER C C 9 171.680 171.680 173.341 -1.661 19910 43 1 1 . 1 1 9 9 SER CA C 9 57.000 57.000 57.054 -0.054 19910 44 1 1 . 1 1 9 9 SER CB C 9 65.590 65.590 66.061 -0.472 19910 45 1 1 . 1 1 9 9 SER H H 9 8.860 8.860 8.825 0.035 19910 46 1 1 . 1 1 10 10 GLN N N 10 115.230 115.230 121.675 -6.445 19910 47 1 1 . 1 1 10 10 GLN HA H 10 5.375 5.375 4.456 0.919 19910 48 1 1 . 1 1 10 10 GLN C C 10 172.130 172.130 173.586 -1.456 19910 49 1 1 . 1 1 10 10 GLN CA C 10 54.270 54.270 54.483 -0.213 19910 50 1 1 . 1 1 10 10 GLN CB C 10 32.990 32.990 31.288 1.702 19910 51 1 1 . 1 1 10 10 GLN H H 10 8.800 8.800 8.343 0.457 19910 52 1 1 . 1 1 11 11 ASP N N 11 124.270 124.270 123.981 0.289 19910 53 1 1 . 1 1 11 11 ASP HA H 11 4.768 4.768 5.076 -0.308 19910 54 1 1 . 1 1 11 11 ASP CA C 11 52.530 52.530 50.957 1.573 19910 55 1 1 . 1 1 11 11 ASP CB C 11 42.200 42.200 42.088 0.112 19910 56 1 1 . 1 1 11 11 ASP H H 11 8.680 8.680 8.611 0.069 19910 57 1 1 . 1 1 12 12 PRO HA H 12 4.050 4.050 4.325 -0.275 19910 58 1 1 . 1 1 12 12 PRO C C 12 175.290 175.290 175.939 -0.649 19910 59 1 1 . 1 1 12 12 PRO CA C 12 66.920 66.920 64.628 2.292 19910 60 1 1 . 1 1 12 12 PRO CB C 12 31.950 31.950 32.153 -0.203 19910 61 1 1 . 1 1 13 13 ASP N N 13 110.550 110.550 114.004 -3.454 19910 62 1 1 . 1 1 13 13 ASP HA H 13 4.632 4.632 4.606 0.026 19910 63 1 1 . 1 1 13 13 ASP C C 13 176.480 176.480 174.096 2.384 19910 64 1 1 . 1 1 13 13 ASP CA C 13 54.940 54.940 53.799 1.141 19910 65 1 1 . 1 1 13 13 ASP CB C 13 44.410 44.410 42.401 2.009 19910 66 1 1 . 1 1 13 13 ASP H H 13 7.990 7.990 8.311 -0.321 19910 67 1 1 . 1 1 14 14 PHE N N 14 118.880 118.880 116.287 2.593 19910 68 1 1 . 1 1 14 14 PHE HA H 14 5.049 5.049 5.016 0.033 19910 69 1 1 . 1 1 14 14 PHE C C 14 174.690 174.690 173.166 1.524 19910 70 1 1 . 1 1 14 14 PHE CA C 14 57.600 57.600 57.319 0.281 19910 71 1 1 . 1 1 14 14 PHE CB C 14 42.960 42.960 43.469 -0.510 19910 72 1 1 . 1 1 14 14 PHE H H 14 8.390 8.390 7.997 0.393 19910 73 1 1 . 1 1 15 15 LEU N N 15 123.990 123.990 121.675 2.315 19910 74 1 1 . 1 1 15 15 LEU HA H 15 4.613 4.613 4.727 -0.114 19910 75 1 1 . 1 1 15 15 LEU C C 15 174.780 174.780 174.858 -0.078 19910 76 1 1 . 1 1 15 15 LEU CA C 15 53.250 53.250 54.175 -0.925 19910 77 1 1 . 1 1 15 15 LEU CB C 15 45.020 45.020 44.171 0.849 19910 78 1 1 . 1 1 15 15 LEU H H 15 9.200 9.200 9.102 0.098 19910 79 1 1 . 1 1 16 16 THR N N 16 122.960 122.960 123.915 -0.955 19910 80 1 1 . 1 1 16 16 THR HA H 16 4.849 4.849 4.988 -0.139 19910 81 1 1 . 1 1 16 16 THR C C 16 172.810 172.810 173.947 -1.137 19910 82 1 1 . 1 1 16 16 THR CA C 16 62.690 62.690 61.546 1.144 19910 83 1 1 . 1 1 16 16 THR CB C 16 69.340 69.340 70.442 -1.102 19910 84 1 1 . 1 1 16 16 THR H H 16 9.000 9.000 8.885 0.115 19910 85 1 1 . 1 1 17 17 ILE N N 17 126.630 126.630 122.205 4.425 19910 86 1 1 . 1 1 17 17 ILE HA H 17 4.439 4.439 4.304 0.135 19910 87 1 1 . 1 1 17 17 ILE C C 17 172.580 172.580 173.649 -1.069 19910 88 1 1 . 1 1 17 17 ILE CA C 17 60.030 60.030 59.435 0.595 19910 89 1 1 . 1 1 17 17 ILE CB C 17 39.450 39.450 41.685 -2.235 19910 90 1 1 . 1 1 17 17 ILE H H 17 8.680 8.680 8.231 0.449 19910 91 1 1 . 1 1 18 18 ALA N N 18 130.190 130.190 125.582 4.608 19910 92 1 1 . 1 1 18 18 ALA HA H 18 5.215 5.215 5.370 -0.155 19910 93 1 1 . 1 1 18 18 ALA C C 18 176.660 176.660 175.647 1.013 19910 94 1 1 . 1 1 18 18 ALA CA C 18 49.980 49.980 50.444 -0.464 19910 95 1 1 . 1 1 18 18 ALA CB C 18 20.570 20.570 21.971 -1.401 19910 96 1 1 . 1 1 18 18 ALA H H 18 8.490 8.490 8.333 0.157 19910 97 1 1 . 1 1 19 19 ILE N N 19 124.920 124.920 123.478 1.442 19910 98 1 1 . 1 1 19 19 ILE HA H 19 4.307 4.307 4.433 -0.126 19910 99 1 1 . 1 1 19 19 ILE C C 19 174.710 174.710 174.708 0.002 19910 100 1 1 . 1 1 19 19 ILE CA C 19 60.990 60.990 60.255 0.735 19910 101 1 1 . 1 1 19 19 ILE CB C 19 40.900 40.900 40.535 0.365 19910 102 1 1 . 1 1 19 19 ILE H H 19 9.590 9.590 8.657 0.933 19910 103 1 1 . 1 1 20 20 ARG N N 20 128.960 128.960 128.698 0.262 19910 104 1 1 . 1 1 20 20 ARG HA H 20 4.642 4.642 4.775 -0.133 19910 105 1 1 . 1 1 20 20 ARG C C 20 174.890 174.890 175.079 -0.189 19910 106 1 1 . 1 1 20 20 ARG CA C 20 56.030 56.030 55.550 0.480 19910 107 1 1 . 1 1 20 20 ARG CB C 20 29.530 29.530 31.101 -1.571 19910 108 1 1 . 1 1 20 20 ARG H H 20 8.600 8.600 8.630 -0.030 19910 109 1 1 . 1 1 21 21 VAL N N 21 120.400 120.400 120.546 -0.146 19910 110 1 1 . 1 1 21 21 VAL HA H 21 4.010 4.010 4.616 -0.606 19910 111 1 1 . 1 1 21 21 VAL C C 21 174.950 174.950 174.721 0.229 19910 112 1 1 . 1 1 21 21 VAL CA C 21 59.420 59.420 60.669 -1.248 19910 113 1 1 . 1 1 21 21 VAL CB C 21 33.280 33.280 35.579 -2.299 19910 114 1 1 . 1 1 21 21 VAL H H 21 8.020 8.020 8.359 -0.339 19910 115 1 1 . 1 1 22 22 SER N N 22 118.050 118.050 118.860 -0.810 19910 116 1 1 . 1 1 22 22 SER HA H 22 4.540 4.540 4.745 -0.205 19910 117 1 1 . 1 1 22 22 SER C C 22 174.110 174.110 175.631 -1.521 19910 118 1 1 . 1 1 22 22 SER CA C 22 59.540 59.540 58.489 1.051 19910 119 1 1 . 1 1 22 22 SER CB C 22 63.600 63.600 64.237 -0.637 19910 120 1 1 . 1 1 22 22 SER H H 22 7.770 7.770 8.623 -0.853 19910 121 1 1 . 1 1 23 23 TYR N N 23 120.870 120.870 121.726 -0.856 19910 122 1 1 . 1 1 23 23 TYR HA H 23 4.493 4.493 4.550 -0.057 19910 123 1 1 . 1 1 23 23 TYR C C 23 175.310 175.310 175.463 -0.153 19910 124 1 1 . 1 1 23 23 TYR CA C 23 58.210 58.210 56.941 1.269 19910 125 1 1 . 1 1 23 23 TYR CB C 23 37.880 37.880 37.574 0.306 19910 126 1 1 . 1 1 23 23 TYR H H 23 8.300 8.300 8.343 -0.043 19910 127 1 1 . 1 1 24 24 ALA N N 24 122.670 122.670 124.189 -1.519 19910 128 1 1 . 1 1 24 24 ALA HA H 24 4.303 4.303 4.226 0.077 19910 129 1 1 . 1 1 24 24 ALA C C 24 177.160 177.160 177.972 -0.812 19910 130 1 1 . 1 1 24 24 ALA CA C 24 52.520 52.520 53.043 -0.523 19910 131 1 1 . 1 1 24 24 ALA CB C 24 19.730 19.730 18.854 0.876 19910 132 1 1 . 1 1 24 24 ALA H H 24 7.910 7.910 7.969 -0.059 19910 133 1 1 . 1 1 25 25 ARG N N 25 119.060 119.060 120.711 -1.651 19910 134 1 1 . 1 1 25 25 ARG HA H 25 4.346 4.346 4.290 0.056 19910 135 1 1 . 1 1 25 25 ARG C C 25 175.830 175.830 175.154 0.676 19910 136 1 1 . 1 1 25 25 ARG CA C 25 55.550 55.550 56.293 -0.743 19910 137 1 1 . 1 1 25 25 ARG CB C 25 30.500 30.500 30.618 -0.118 19910 138 1 1 . 1 1 25 25 ARG H H 25 8.220 8.220 8.551 -0.331 19910 139 1 1 . 1 1 26 26 VAL N N 26 118.660 118.660 115.130 3.530 19910 140 1 1 . 1 1 26 26 VAL HA H 26 3.454 3.454 4.353 -0.899 19910 141 1 1 . 1 1 26 26 VAL C C 26 175.700 175.700 175.668 0.032 19910 142 1 1 . 1 1 26 26 VAL CA C 26 61.960 61.960 59.478 2.482 19910 143 1 1 . 1 1 26 26 VAL CB C 26 32.800 32.800 33.114 -0.314 19910 144 1 1 . 1 1 26 26 VAL H H 26 7.650 7.650 7.553 0.097 19910 145 1 1 . 1 1 27 27 SER N N 27 116.090 116.090 118.709 -2.619 19910 146 1 1 . 1 1 27 27 SER HA H 27 4.183 4.183 4.298 -0.115 19910 147 1 1 . 1 1 27 27 SER C C 27 173.750 173.750 174.312 -0.562 19910 148 1 1 . 1 1 27 27 SER CA C 27 58.570 58.570 60.270 -1.700 19910 149 1 1 . 1 1 27 27 SER CB C 27 63.530 63.530 63.555 -0.025 19910 150 1 1 . 1 1 27 27 SER H H 27 8.180 8.180 8.657 -0.477 19910 151 1 1 . 1 1 28 28 GLU N N 28 120.070 120.070 118.137 1.933 19910 152 1 1 . 1 1 28 28 GLU HA H 28 4.203 4.203 4.014 0.189 19910 153 1 1 . 1 1 28 28 GLU C C 28 174.790 174.790 174.466 0.324 19910 154 1 1 . 1 1 28 28 GLU CA C 28 55.550 55.550 55.317 0.233 19910 155 1 1 . 1 1 28 28 GLU CB C 28 30.620 30.620 31.561 -0.941 19910 156 1 1 . 1 1 28 28 GLU H H 28 7.400 7.400 7.749 -0.349 19910 157 1 1 . 1 1 29 29 PHE N N 29 120.340 120.340 119.030 1.310 19910 158 1 1 . 1 1 29 29 PHE HA H 29 4.487 4.487 4.855 -0.368 19910 159 1 1 . 1 1 29 29 PHE C C 29 174.580 174.580 175.755 -1.175 19910 160 1 1 . 1 1 29 29 PHE CA C 29 55.790 55.790 54.690 1.101 19910 161 1 1 . 1 1 29 29 PHE CB C 29 39.690 39.690 40.528 -0.838 19910 162 1 1 . 1 1 29 29 PHE H H 29 7.820 7.820 7.858 -0.038 19910 163 1 1 . 1 1 30 30 ASP N N 30 123.670 123.670 121.869 1.801 19910 164 1 1 . 1 1 30 30 ASP HA H 30 4.817 4.817 4.852 -0.035 19910 165 1 1 . 1 1 30 30 ASP C C 30 174.040 174.040 174.325 -0.285 19910 166 1 1 . 1 1 30 30 ASP CA C 30 53.850 53.850 53.836 0.014 19910 167 1 1 . 1 1 30 30 ASP CB C 30 43.450 43.450 44.060 -0.610 19910 168 1 1 . 1 1 30 30 ASP H H 30 8.420 8.420 8.274 0.146 19910 169 1 1 . 1 1 31 31 VAL N N 31 123.010 123.010 122.402 0.608 19910 170 1 1 . 1 1 31 31 VAL HA H 31 4.768 4.768 4.721 0.047 19910 171 1 1 . 1 1 31 31 VAL C C 31 173.980 173.980 174.992 -1.012 19910 172 1 1 . 1 1 31 31 VAL CA C 31 60.510 60.510 61.298 -0.788 19910 173 1 1 . 1 1 31 31 VAL CB C 31 34.730 34.730 33.320 1.410 19910 174 1 1 . 1 1 31 31 VAL H H 31 8.270 8.270 8.358 -0.088 19910 175 1 1 . 1 1 32 32 TYR N N 32 127.340 127.340 127.750 -0.410 19910 176 1 1 . 1 1 32 32 TYR HA H 32 4.624 4.624 4.813 -0.189 19910 177 1 1 . 1 1 32 32 TYR C C 32 172.990 172.990 174.088 -1.098 19910 178 1 1 . 1 1 32 32 TYR CA C 32 56.520 56.520 56.593 -0.072 19910 179 1 1 . 1 1 32 32 TYR CB C 32 41.870 41.870 40.791 1.079 19910 180 1 1 . 1 1 32 32 TYR H H 32 8.920 8.920 9.181 -0.261 19910 181 1 1 . 1 1 33 33 PHE N N 33 121.160 121.160 122.127 -0.967 19910 182 1 1 . 1 1 33 33 PHE HA H 33 5.106 5.106 5.994 -0.888 19910 183 1 1 . 1 1 33 33 PHE C C 33 173.100 173.100 174.565 -1.465 19910 184 1 1 . 1 1 33 33 PHE CA C 33 55.310 55.310 55.315 -0.005 19910 185 1 1 . 1 1 33 33 PHE CB C 33 40.420 40.420 42.323 -1.903 19910 186 1 1 . 1 1 33 33 PHE H H 33 7.510 7.510 8.535 -1.025 19910 187 1 1 . 1 1 34 34 GLU N N 34 120.460 120.460 122.938 -2.478 19910 188 1 1 . 1 1 34 34 GLU HA H 34 4.099 4.099 4.716 -0.617 19910 189 1 1 . 1 1 34 34 GLU C C 34 175.700 175.700 176.481 -0.781 19910 190 1 1 . 1 1 34 34 GLU CA C 34 56.640 56.640 55.327 1.313 19910 191 1 1 . 1 1 34 34 GLU CB C 34 31.340 31.340 31.418 -0.078 19910 192 1 1 . 1 1 34 34 GLU H H 34 8.190 8.190 8.525 -0.335 19910 193 1 1 . 1 1 35 35 GLY N N 35 117.400 117.400 115.939 1.461 19910 194 1 1 . 1 1 35 35 GLY C C 35 173.120 173.120 174.610 -1.490 19910 195 1 1 . 1 1 35 35 GLY CA C 35 47.680 47.680 47.361 0.319 19910 196 1 1 . 1 1 35 35 GLY H H 35 9.240 9.240 9.125 0.115 19910 197 1 1 . 1 1 36 36 SER N N 36 122.510 122.510 116.297 6.213 19910 198 1 1 . 1 1 36 36 SER HA H 36 4.795 4.795 4.689 0.106 19910 199 1 1 . 1 1 36 36 SER C C 36 172.680 172.680 172.152 0.528 19910 200 1 1 . 1 1 36 36 SER CA C 36 57.360 57.360 58.053 -0.693 19910 201 1 1 . 1 1 36 36 SER CB C 36 64.500 64.500 65.196 -0.696 19910 202 1 1 . 1 1 36 36 SER H H 36 8.930 8.930 8.668 0.262 19910 203 1 1 . 1 1 37 37 ASP N N 37 123.120 123.120 123.036 0.084 19910 204 1 1 . 1 1 37 37 ASP HA H 37 5.192 5.192 5.088 0.104 19910 205 1 1 . 1 1 37 37 ASP C C 37 174.170 174.170 174.230 -0.060 19910 206 1 1 . 1 1 37 37 ASP CA C 37 54.340 54.340 53.439 0.901 19910 207 1 1 . 1 1 37 37 ASP CB C 37 43.810 43.810 43.098 0.712 19910 208 1 1 . 1 1 37 37 ASP H H 37 8.600 8.600 8.217 0.383 19910 209 1 1 . 1 1 38 38 PHE N N 38 122.850 122.850 128.982 -6.132 19910 210 1 1 . 1 1 38 38 PHE HA H 38 5.053 5.053 5.648 -0.595 19910 211 1 1 . 1 1 38 38 PHE C C 38 172.810 172.810 173.342 -0.532 19910 212 1 1 . 1 1 38 38 PHE CA C 38 57.000 57.000 56.463 0.537 19910 213 1 1 . 1 1 38 38 PHE CB C 38 43.080 43.080 41.663 1.417 19910 214 1 1 . 1 1 38 38 PHE H H 38 8.340 8.340 9.310 -0.970 19910 215 1 1 . 1 1 39 39 LYS N N 39 126.630 126.630 129.161 -2.531 19910 216 1 1 . 1 1 39 39 LYS HA H 39 4.816 4.816 5.366 -0.550 19910 217 1 1 . 1 1 39 39 LYS C C 39 172.540 172.540 174.652 -2.112 19910 218 1 1 . 1 1 39 39 LYS CA C 39 54.890 54.890 54.483 0.407 19910 219 1 1 . 1 1 39 39 LYS CB C 39 36.790 36.790 36.079 0.711 19910 220 1 1 . 1 1 39 39 LYS H H 39 8.690 8.690 8.999 -0.309 19910 221 1 1 . 1 1 40 40 PHE N N 40 123.910 123.910 125.107 -1.197 19910 222 1 1 . 1 1 40 40 PHE HA H 40 4.923 4.923 5.228 -0.305 19910 223 1 1 . 1 1 40 40 PHE C C 40 171.900 171.900 173.921 -2.021 19910 224 1 1 . 1 1 40 40 PHE CA C 40 55.910 55.910 55.413 0.497 19910 225 1 1 . 1 1 40 40 PHE CB C 40 43.450 43.450 42.981 0.469 19910 226 1 1 . 1 1 40 40 PHE H H 40 8.750 8.750 9.167 -0.417 19910 227 1 1 . 1 1 41 41 TYR N N 41 126.490 126.490 126.199 0.291 19910 228 1 1 . 1 1 41 41 TYR HA H 41 4.958 4.958 4.684 0.274 19910 229 1 1 . 1 1 41 41 TYR C C 41 173.070 173.070 173.547 -0.477 19910 230 1 1 . 1 1 41 41 TYR CA C 41 55.670 55.670 56.855 -1.185 19910 231 1 1 . 1 1 41 41 TYR CB C 41 41.510 41.510 40.360 1.150 19910 232 1 1 . 1 1 41 41 TYR H H 41 8.450 8.450 8.488 -0.038 19910 233 1 1 . 1 1 42 42 ALA N N 42 129.720 129.720 126.246 3.474 19910 234 1 1 . 1 1 42 42 ALA HA H 42 4.024 4.024 4.864 -0.840 19910 235 1 1 . 1 1 42 42 ALA C C 42 174.350 174.350 175.400 -1.050 19910 236 1 1 . 1 1 42 42 ALA CA C 42 51.190 51.190 51.410 -0.221 19910 237 1 1 . 1 1 42 42 ALA CB C 42 20.330 20.330 21.305 -0.975 19910 238 1 1 . 1 1 42 42 ALA H H 42 7.970 7.970 8.046 -0.076 19910 239 1 1 . 1 1 43 43 LYS N N 43 124.250 124.250 122.159 2.091 19910 240 1 1 . 1 1 43 43 LYS HA H 43 3.634 3.634 3.948 -0.314 19910 241 1 1 . 1 1 43 43 LYS CA C 43 56.260 56.260 57.175 -0.915 19910 242 1 1 . 1 1 43 43 LYS CB C 43 32.860 32.860 29.920 2.940 19910 243 1 1 . 1 1 43 43 LYS H H 43 7.850 7.850 8.305 -0.455 19910 244 1 1 . 1 1 44 44 PRO HA H 44 4.487 4.487 4.163 0.324 19910 245 1 1 . 1 1 44 44 PRO C C 44 173.980 173.980 176.861 -2.881 19910 246 1 1 . 1 1 44 44 PRO CA C 44 64.380 64.380 64.680 -0.300 19910 247 1 1 . 1 1 44 44 PRO CB C 44 34.010 34.010 31.709 2.301 19910 248 1 1 . 1 1 45 45 TYR N N 45 126.840 126.840 116.772 10.068 19910 249 1 1 . 1 1 45 45 TYR HA H 45 5.274 5.274 4.427 0.847 19910 250 1 1 . 1 1 45 45 TYR C C 45 175.290 175.290 175.316 -0.026 19910 251 1 1 . 1 1 45 45 TYR CA C 45 58.330 58.330 58.086 0.244 19910 252 1 1 . 1 1 45 45 TYR CB C 45 40.300 40.300 37.874 2.426 19910 253 1 1 . 1 1 45 45 TYR H H 45 9.360 9.360 7.482 1.878 19910 254 1 1 . 1 1 46 46 PHE N N 46 121.470 121.470 126.095 -4.625 19910 255 1 1 . 1 1 46 46 PHE HA H 46 5.422 5.422 5.005 0.417 19910 256 1 1 . 1 1 46 46 PHE C C 46 173.180 173.180 173.788 -0.608 19910 257 1 1 . 1 1 46 46 PHE CA C 46 56.520 56.520 55.250 1.270 19910 258 1 1 . 1 1 46 46 PHE CB C 46 43.930 43.930 41.648 2.282 19910 259 1 1 . 1 1 46 46 PHE H H 46 8.870 8.870 8.590 0.280 19910 260 1 1 . 1 1 47 47 LEU N N 47 129.700 129.700 130.274 -0.574 19910 261 1 1 . 1 1 47 47 LEU HA H 47 4.565 4.565 4.439 0.126 19910 262 1 1 . 1 1 47 47 LEU C C 47 171.770 171.770 174.393 -2.623 19910 263 1 1 . 1 1 47 47 LEU CA C 47 53.130 53.130 53.665 -0.535 19910 264 1 1 . 1 1 47 47 LEU CB C 47 47.560 47.560 44.851 2.709 19910 265 1 1 . 1 1 47 47 LEU H H 47 8.850 8.850 8.556 0.294 19910 266 1 1 . 1 1 48 48 ARG N N 48 127.760 127.760 127.366 0.394 19910 267 1 1 . 1 1 48 48 ARG HA H 48 5.283 5.283 4.706 0.577 19910 268 1 1 . 1 1 48 48 ARG C C 48 174.090 174.090 174.412 -0.322 19910 269 1 1 . 1 1 48 48 ARG CA C 48 54.100 54.100 54.826 -0.726 19910 270 1 1 . 1 1 48 48 ARG CB C 48 33.160 33.160 30.956 2.204 19910 271 1 1 . 1 1 48 48 ARG H H 48 8.620 8.620 8.281 0.339 19910 272 1 1 . 1 1 49 49 LEU N N 49 122.890 122.890 129.043 -6.153 19910 273 1 1 . 1 1 49 49 LEU HA H 49 4.855 4.855 4.762 0.093 19910 274 1 1 . 1 1 49 49 LEU C C 49 175.880 175.880 175.603 0.277 19910 275 1 1 . 1 1 49 49 LEU CA C 49 52.880 52.880 53.918 -1.038 19910 276 1 1 . 1 1 49 49 LEU CB C 49 47.800 47.800 45.367 2.433 19910 277 1 1 . 1 1 49 49 LEU H H 49 8.970 8.970 9.306 -0.336 19910 278 1 1 . 1 1 50 50 THR N N 50 118.610 118.610 120.308 -1.698 19910 279 1 1 . 1 1 50 50 THR HA H 50 4.862 4.862 4.746 0.116 19910 280 1 1 . 1 1 50 50 THR C C 50 174.610 174.610 174.235 0.375 19910 281 1 1 . 1 1 50 50 THR CA C 50 61.110 61.110 61.657 -0.547 19910 282 1 1 . 1 1 50 50 THR CB C 50 69.220 69.220 69.097 0.122 19910 283 1 1 . 1 1 50 50 THR H H 50 8.670 8.670 8.413 0.257 19910 284 1 1 . 1 1 51 51 LEU N N 51 126.300 126.300 128.550 -2.250 19910 285 1 1 . 1 1 51 51 LEU HA H 51 4.302 4.302 4.330 -0.028 19910 286 1 1 . 1 1 51 51 LEU CA C 51 52.650 52.650 53.782 -1.131 19910 287 1 1 . 1 1 51 51 LEU CB C 51 41.950 41.950 41.642 0.308 19910 288 1 1 . 1 1 51 51 LEU H H 51 9.540 9.540 8.290 1.250 19910 289 1 1 . 1 1 52 52 PRO HA H 52 4.401 4.401 4.255 0.145 19910 290 1 1 . 1 1 52 52 PRO C C 52 174.240 174.240 176.180 -1.940 19910 291 1 1 . 1 1 52 52 PRO CA C 52 62.690 62.690 63.686 -0.996 19910 292 1 1 . 1 1 52 52 PRO CB C 52 30.620 30.620 32.093 -1.473 19910 293 1 1 . 1 1 53 53 GLY N N 53 105.990 105.990 107.010 -1.020 19910 294 1 1 . 1 1 53 53 GLY C C 53 170.520 170.520 172.641 -2.121 19910 295 1 1 . 1 1 53 53 GLY CA C 53 43.450 43.450 42.783 0.667 19910 296 1 1 . 1 1 53 53 GLY H H 53 6.550 6.550 6.346 0.204 19910 297 1 1 . 1 1 54 54 ARG N N 54 115.660 115.660 118.940 -3.280 19910 298 1 1 . 1 1 54 54 ARG HA H 54 4.347 4.347 5.135 -0.788 19910 299 1 1 . 1 1 54 54 ARG C C 54 176.940 176.940 174.891 2.049 19910 300 1 1 . 1 1 54 54 ARG CA C 54 55.890 55.890 55.128 0.762 19910 301 1 1 . 1 1 54 54 ARG CB C 54 32.310 32.310 34.168 -1.858 19910 302 1 1 . 1 1 54 54 ARG H H 54 8.210 8.210 8.402 -0.192 19910 303 1 1 . 1 1 55 55 ILE N N 55 118.910 118.910 125.063 -6.153 19910 304 1 1 . 1 1 55 55 ILE HA H 55 5.003 5.003 4.687 0.316 19910 305 1 1 . 1 1 55 55 ILE C C 55 175.310 175.310 174.908 0.402 19910 306 1 1 . 1 1 55 55 ILE CA C 55 58.500 58.500 58.714 -0.214 19910 307 1 1 . 1 1 55 55 ILE CB C 55 40.950 40.950 38.666 2.284 19910 308 1 1 . 1 1 55 55 ILE H H 55 8.640 8.640 8.876 -0.236 19910 309 1 1 . 1 1 56 56 VAL N N 56 118.140 118.140 124.847 -6.707 19910 310 1 1 . 1 1 56 56 VAL HA H 56 4.438 4.438 4.131 0.307 19910 311 1 1 . 1 1 56 56 VAL C C 56 172.920 172.920 175.112 -2.192 19910 312 1 1 . 1 1 56 56 VAL CA C 56 60.510 60.510 61.243 -0.733 19910 313 1 1 . 1 1 56 56 VAL CB C 56 34.850 34.850 33.424 1.426 19910 314 1 1 . 1 1 56 56 VAL H H 56 8.330 8.330 7.904 0.426 19910 315 1 1 . 1 1 57 57 GLU N N 57 123.300 123.300 125.616 -2.316 19910 316 1 1 . 1 1 57 57 GLU HA H 57 4.358 4.358 4.990 -0.632 19910 317 1 1 . 1 1 57 57 GLU C C 57 176.350 176.350 175.367 0.983 19910 318 1 1 . 1 1 57 57 GLU CA C 57 55.890 55.890 56.285 -0.395 19910 319 1 1 . 1 1 57 57 GLU CB C 57 29.880 29.880 30.668 -0.787 19910 320 1 1 . 1 1 57 57 GLU H H 57 8.380 8.380 8.664 -0.284 19910 321 1 1 . 1 1 58 58 ASN N N 58 121.570 121.570 121.855 -0.285 19910 322 1 1 . 1 1 58 58 ASN HA H 58 4.764 4.764 4.809 -0.045 19910 323 1 1 . 1 1 58 58 ASN C C 58 176.120 176.120 175.541 0.579 19910 324 1 1 . 1 1 58 58 ASN CA C 58 52.760 52.760 53.460 -0.700 19910 325 1 1 . 1 1 58 58 ASN CB C 58 38.970 38.970 39.237 -0.267 19910 326 1 1 . 1 1 58 58 ASN H H 58 8.360 8.360 9.071 -0.711 19910 327 1 1 . 1 1 59 59 GLY N N 59 112.050 112.050 109.126 2.924 19910 328 1 1 . 1 1 59 59 GLY C C 59 174.840 174.840 174.458 0.382 19910 329 1 1 . 1 1 59 59 GLY CA C 59 45.380 45.380 45.885 -0.505 19910 330 1 1 . 1 1 59 59 GLY H H 59 9.350 9.350 8.310 1.040 19910 331 1 1 . 1 1 60 60 SER N N 60 115.430 115.430 116.359 -0.929 19910 332 1 1 . 1 1 60 60 SER HA H 60 4.536 4.536 4.483 0.053 19910 333 1 1 . 1 1 60 60 SER C C 60 174.140 174.140 174.703 -0.563 19910 334 1 1 . 1 1 60 60 SER CA C 60 58.810 58.810 59.209 -0.398 19910 335 1 1 . 1 1 60 60 SER CB C 60 64.140 64.140 63.649 0.491 19910 336 1 1 . 1 1 60 60 SER H H 60 8.350 8.350 8.093 0.257 19910 337 1 1 . 1 1 61 61 GLU N N 61 122.950 122.950 118.715 4.235 19910 338 1 1 . 1 1 61 61 GLU HA H 61 4.525 4.525 4.047 0.478 19910 339 1 1 . 1 1 61 61 GLU C C 61 175.550 175.550 176.089 -0.539 19910 340 1 1 . 1 1 61 61 GLU CA C 61 56.520 56.520 57.988 -1.468 19910 341 1 1 . 1 1 61 61 GLU CB C 61 29.530 29.530 29.697 -0.167 19910 342 1 1 . 1 1 61 61 GLU H H 61 8.910 8.910 8.295 0.615 19910 343 1 1 . 1 1 62 62 GLN N N 62 120.280 120.280 118.888 1.392 19910 344 1 1 . 1 1 62 62 GLN HA H 62 4.601 4.601 4.457 0.144 19910 345 1 1 . 1 1 62 62 GLN C C 62 175.700 175.700 174.125 1.575 19910 346 1 1 . 1 1 62 62 GLN CA C 62 55.430 55.430 55.936 -0.506 19910 347 1 1 . 1 1 62 62 GLN CB C 62 31.340 31.340 31.568 -0.228 19910 348 1 1 . 1 1 62 62 GLN H H 62 8.310 8.310 8.268 0.042 19910 349 1 1 . 1 1 63 63 GLY N N 63 111.400 111.400 110.927 0.473 19910 350 1 1 . 1 1 63 63 GLY C C 63 172.550 172.550 172.384 0.166 19910 351 1 1 . 1 1 63 63 GLY CA C 63 44.690 44.690 45.749 -1.060 19910 352 1 1 . 1 1 63 63 GLY H H 63 8.880 8.880 8.201 0.678 19910 353 1 1 . 1 1 64 64 SER N N 64 115.080 115.080 113.541 1.539 19910 354 1 1 . 1 1 64 64 SER HA H 64 4.629 4.629 4.776 -0.147 19910 355 1 1 . 1 1 64 64 SER C C 64 171.770 171.770 172.105 -0.335 19910 356 1 1 . 1 1 64 64 SER CA C 64 57.120 57.120 58.241 -1.121 19910 357 1 1 . 1 1 64 64 SER CB C 64 65.230 65.230 64.919 0.311 19910 358 1 1 . 1 1 64 64 SER H H 64 8.280 8.280 9.098 -0.818 19910 359 1 1 . 1 1 65 65 TYR N N 65 124.640 124.640 125.749 -1.109 19910 360 1 1 . 1 1 65 65 TYR HA H 65 5.198 5.198 5.274 -0.076 19910 361 1 1 . 1 1 65 65 TYR C C 65 173.640 173.640 174.347 -0.707 19910 362 1 1 . 1 1 65 65 TYR CA C 65 55.670 55.670 57.101 -1.431 19910 363 1 1 . 1 1 65 65 TYR CB C 65 40.900 40.900 40.682 0.218 19910 364 1 1 . 1 1 65 65 TYR H H 65 8.980 8.980 8.549 0.431 19910 365 1 1 . 1 1 66 66 ASP N N 66 128.570 128.570 127.589 0.981 19910 366 1 1 . 1 1 66 66 ASP HA H 66 4.532 4.532 4.658 -0.126 19910 367 1 1 . 1 1 66 66 ASP C C 66 175.340 175.340 174.866 0.474 19910 368 1 1 . 1 1 66 66 ASP CA C 66 51.800 51.800 53.007 -1.207 19910 369 1 1 . 1 1 66 66 ASP CB C 66 41.510 41.510 43.998 -2.488 19910 370 1 1 . 1 1 66 66 ASP H H 66 8.000 8.000 8.128 -0.128 19910 371 1 1 . 1 1 67 67 ALA N N 67 127.520 127.520 128.088 -0.568 19910 372 1 1 . 1 1 67 67 ALA HA H 67 3.597 3.597 4.148 -0.551 19910 373 1 1 . 1 1 67 67 ALA C C 67 178.770 178.770 177.843 0.927 19910 374 1 1 . 1 1 67 67 ALA CA C 67 53.850 53.850 54.107 -0.257 19910 375 1 1 . 1 1 67 67 ALA CB C 67 18.640 18.640 19.146 -0.506 19910 376 1 1 . 1 1 67 67 ALA H H 67 8.460 8.460 8.367 0.093 19910 377 1 1 . 1 1 68 68 ASP N N 68 117.850 117.850 118.524 -0.674 19910 378 1 1 . 1 1 68 68 ASP HA H 68 4.340 4.340 4.358 -0.018 19910 379 1 1 . 1 1 68 68 ASP C C 68 177.780 177.780 177.688 0.092 19910 380 1 1 . 1 1 68 68 ASP CA C 68 56.760 56.760 56.655 0.105 19910 381 1 1 . 1 1 68 68 ASP CB C 68 40.900 40.900 40.889 0.011 19910 382 1 1 . 1 1 68 68 ASP H H 68 7.980 7.980 8.569 -0.589 19910 383 1 1 . 1 1 69 69 LYS N N 69 115.790 115.790 115.749 0.041 19910 384 1 1 . 1 1 69 69 LYS HA H 69 4.119 4.119 4.413 -0.294 19910 385 1 1 . 1 1 69 69 LYS C C 69 177.130 177.130 176.786 0.344 19910 386 1 1 . 1 1 69 69 LYS CA C 69 56.150 56.150 55.964 0.186 19910 387 1 1 . 1 1 69 69 LYS CB C 69 34.010 34.010 32.888 1.122 19910 388 1 1 . 1 1 69 69 LYS H H 69 7.390 7.390 8.082 -0.692 19910 389 1 1 . 1 1 70 70 GLY N N 70 110.040 110.040 109.138 0.902 19910 390 1 1 . 1 1 70 70 GLY C C 70 174.040 174.040 173.482 0.558 19910 391 1 1 . 1 1 70 70 GLY CA C 70 46.830 46.830 45.482 1.348 19910 392 1 1 . 1 1 70 70 GLY H H 70 8.030 8.030 7.590 0.440 19910 393 1 1 . 1 1 71 71 ILE N N 71 115.810 115.810 119.062 -3.252 19910 394 1 1 . 1 1 71 71 ILE HA H 71 4.861 4.861 4.641 0.220 19910 395 1 1 . 1 1 71 71 ILE C C 71 175.520 175.520 173.880 1.640 19910 396 1 1 . 1 1 71 71 ILE CA C 71 59.420 59.420 60.821 -1.401 19910 397 1 1 . 1 1 71 71 ILE CB C 71 42.240 42.240 41.502 0.738 19910 398 1 1 . 1 1 71 71 ILE H H 71 6.990 6.990 8.146 -1.156 19910 399 1 1 . 1 1 72 72 PHE N N 72 132.630 132.630 129.361 3.269 19910 400 1 1 . 1 1 72 72 PHE HA H 72 5.377 5.377 5.340 0.037 19910 401 1 1 . 1 1 72 72 PHE C C 72 173.310 173.310 173.853 -0.543 19910 402 1 1 . 1 1 72 72 PHE CA C 72 56.150 56.150 54.886 1.264 19910 403 1 1 . 1 1 72 72 PHE CB C 72 41.630 41.630 41.203 0.427 19910 404 1 1 . 1 1 72 72 PHE H H 72 9.720 9.720 9.229 0.491 19910 405 1 1 . 1 1 73 73 THR N N 73 124.190 124.190 125.848 -1.658 19910 406 1 1 . 1 1 73 73 THR HA H 73 5.047 5.047 5.207 -0.160 19910 407 1 1 . 1 1 73 73 THR C C 73 172.660 172.660 172.689 -0.029 19910 408 1 1 . 1 1 73 73 THR CA C 73 61.480 61.480 61.154 0.326 19910 409 1 1 . 1 1 73 73 THR CB C 73 69.950 69.950 70.808 -0.858 19910 410 1 1 . 1 1 73 73 THR H H 73 8.610 8.610 9.039 -0.429 19910 411 1 1 . 1 1 74 74 ILE N N 74 125.780 125.780 126.187 -0.407 19910 412 1 1 . 1 1 74 74 ILE HA H 74 4.557 4.557 4.595 -0.038 19910 413 1 1 . 1 1 74 74 ILE C C 74 171.480 171.480 173.223 -1.743 19910 414 1 1 . 1 1 74 74 ILE CA C 74 59.060 59.060 59.299 -0.239 19910 415 1 1 . 1 1 74 74 ILE CB C 74 41.510 41.510 41.272 0.238 19910 416 1 1 . 1 1 74 74 ILE H H 74 8.850 8.850 8.337 0.513 19910 417 1 1 . 1 1 75 75 ARG N N 75 127.330 127.330 128.341 -1.011 19910 418 1 1 . 1 1 75 75 ARG HA H 75 4.859 4.859 4.683 0.176 19910 419 1 1 . 1 1 75 75 ARG C C 75 174.790 174.790 174.892 -0.102 19910 420 1 1 . 1 1 75 75 ARG CA C 75 54.460 54.460 54.781 -0.321 19910 421 1 1 . 1 1 75 75 ARG CB C 75 31.460 31.460 31.790 -0.330 19910 422 1 1 . 1 1 75 75 ARG H H 75 8.320 8.320 8.941 -0.621 19910 423 1 1 . 1 1 76 76 LEU N N 76 125.120 125.120 121.416 3.704 19910 424 1 1 . 1 1 76 76 LEU HA H 76 4.819 4.819 4.915 -0.096 19910 425 1 1 . 1 1 76 76 LEU CA C 76 50.530 50.530 51.412 -0.882 19910 426 1 1 . 1 1 76 76 LEU CB C 76 43.070 43.070 44.687 -1.617 19910 427 1 1 . 1 1 76 76 LEU H H 76 9.300 9.300 8.043 1.257 19910 428 1 1 . 1 1 77 77 PRO HA H 77 4.114 4.114 4.570 -0.456 19910 429 1 1 . 1 1 77 77 PRO C C 77 176.430 176.430 176.547 -0.117 19910 430 1 1 . 1 1 77 77 PRO CA C 77 62.080 62.080 61.690 0.390 19910 431 1 1 . 1 1 77 77 PRO CB C 77 31.220 31.220 32.418 -1.198 19910 432 1 1 . 1 1 78 78 LYS N N 78 122.800 122.800 118.818 3.982 19910 433 1 1 . 1 1 78 78 LYS HA H 78 4.062 4.062 4.430 -0.368 19910 434 1 1 . 1 1 78 78 LYS C C 78 176.590 176.590 176.644 -0.054 19910 435 1 1 . 1 1 78 78 LYS CA C 78 57.730 57.730 54.633 3.097 19910 436 1 1 . 1 1 78 78 LYS CB C 78 32.800 32.800 33.418 -0.618 19910 437 1 1 . 1 1 78 78 LYS H H 78 7.790 7.790 7.690 0.100 19910 438 1 1 . 1 1 79 79 GLU N N 79 124.540 124.540 121.992 2.548 19910 439 1 1 . 1 1 79 79 GLU HA H 79 3.689 3.689 4.248 -0.559 19910 440 1 1 . 1 1 79 79 GLU C C 79 176.300 176.300 176.030 0.270 19910 441 1 1 . 1 1 79 79 GLU CA C 79 59.420 59.420 58.032 1.388 19910 442 1 1 . 1 1 79 79 GLU CB C 79 30.500 30.500 30.272 0.228 19910 443 1 1 . 1 1 79 79 GLU H H 79 8.520 8.520 8.606 -0.086 19910 444 1 1 . 1 1 80 80 THR N N 80 115.960 115.960 115.411 0.549 19910 445 1 1 . 1 1 80 80 THR HA H 80 4.485 4.485 4.687 -0.202 19910 446 1 1 . 1 1 80 80 THR CA C 80 59.120 59.120 59.441 -0.321 19910 447 1 1 . 1 1 80 80 THR CB C 80 69.330 69.330 70.822 -1.492 19910 448 1 1 . 1 1 80 80 THR H H 80 9.070 9.070 7.537 1.533 19910 449 1 1 . 1 1 81 81 PRO HA H 81 4.070 4.070 4.236 -0.166 19910 450 1 1 . 1 1 81 81 PRO C C 81 177.860 177.860 178.234 -0.374 19910 451 1 1 . 1 1 81 81 PRO CA C 81 63.900 63.900 63.198 0.702 19910 452 1 1 . 1 1 81 81 PRO CB C 81 31.460 31.460 31.889 -0.429 19910 453 1 1 . 1 1 82 82 GLY N N 82 113.580 113.580 111.484 2.096 19910 454 1 1 . 1 1 82 82 GLY C C 82 174.870 174.870 174.004 0.866 19910 455 1 1 . 1 1 82 82 GLY CA C 82 45.140 45.140 44.978 0.162 19910 456 1 1 . 1 1 82 82 GLY H H 82 9.150 9.150 8.489 0.661 19910 457 1 1 . 1 1 83 83 GLN N N 83 122.820 122.820 120.618 2.202 19910 458 1 1 . 1 1 83 83 GLN HA H 83 4.159 4.159 4.283 -0.124 19910 459 1 1 . 1 1 83 83 GLN C C 83 175.180 175.180 174.706 0.474 19910 460 1 1 . 1 1 83 83 GLN CA C 83 56.390 56.390 55.609 0.781 19910 461 1 1 . 1 1 83 83 GLN CB C 83 29.410 29.410 29.860 -0.451 19910 462 1 1 . 1 1 83 83 GLN H H 83 7.960 7.960 7.466 0.494 19910 463 1 1 . 1 1 84 84 HIS N N 84 131.340 131.340 125.051 6.289 19910 464 1 1 . 1 1 84 84 HIS HA H 84 4.299 4.299 4.830 -0.531 19910 465 1 1 . 1 1 84 84 HIS C C 84 175.300 175.300 173.688 1.612 19910 466 1 1 . 1 1 84 84 HIS CA C 84 56.640 56.640 53.916 2.724 19910 467 1 1 . 1 1 84 84 HIS CB C 84 30.980 30.980 32.283 -1.303 19910 468 1 1 . 1 1 84 84 HIS H H 84 9.220 9.220 8.535 0.685 19910 469 1 1 . 1 1 85 85 PHE N N 85 130.320 130.320 126.454 3.866 19910 470 1 1 . 1 1 85 85 PHE HA H 85 4.722 4.722 4.462 0.260 19910 471 1 1 . 1 1 85 85 PHE C C 85 174.890 174.890 175.484 -0.594 19910 472 1 1 . 1 1 85 85 PHE CA C 85 54.580 54.580 55.595 -1.015 19910 473 1 1 . 1 1 85 85 PHE CB C 85 36.430 36.430 37.642 -1.212 19910 474 1 1 . 1 1 85 85 PHE H H 85 9.130 9.130 9.101 0.029 19910 475 1 1 . 1 1 86 86 GLU N N 86 126.010 126.010 122.577 3.433 19910 476 1 1 . 1 1 86 86 GLU HA H 86 4.199 4.199 4.223 -0.024 19910 477 1 1 . 1 1 86 86 GLU C C 86 177.000 177.000 177.584 -0.584 19910 478 1 1 . 1 1 86 86 GLU CA C 86 55.910 55.910 56.785 -0.875 19910 479 1 1 . 1 1 86 86 GLU CB C 86 30.620 30.620 30.752 -0.132 19910 480 1 1 . 1 1 86 86 GLU H H 86 8.900 8.900 7.448 1.452 19910 481 1 1 . 1 1 87 87 GLY N N 87 108.540 108.540 107.874 0.666 19910 482 1 1 . 1 1 87 87 GLY C C 87 177.370 177.370 175.678 1.692 19910 483 1 1 . 1 1 87 87 GLY CA C 87 46.590 46.590 46.206 0.384 19910 484 1 1 . 1 1 87 87 GLY H H 87 8.610 8.610 8.885 -0.275 19910 485 1 1 . 1 1 88 88 LEU N N 88 119.830 119.830 120.493 -0.663 19910 486 1 1 . 1 1 88 88 LEU HA H 88 3.775 3.775 4.083 -0.308 19910 487 1 1 . 1 1 88 88 LEU C C 88 177.500 177.500 178.167 -0.667 19910 488 1 1 . 1 1 88 88 LEU CA C 88 57.850 57.850 57.756 0.094 19910 489 1 1 . 1 1 88 88 LEU CB C 88 40.780 40.780 41.870 -1.091 19910 490 1 1 . 1 1 88 88 LEU H H 88 8.370 8.370 7.888 0.482 19910 491 1 1 . 1 1 89 89 ASN N N 89 112.390 112.390 115.149 -2.759 19910 492 1 1 . 1 1 89 89 ASN HA H 89 4.524 4.524 4.658 -0.134 19910 493 1 1 . 1 1 89 89 ASN C C 89 175.440 175.440 175.004 0.436 19910 494 1 1 . 1 1 89 89 ASN CA C 89 54.340 54.340 54.253 0.087 19910 495 1 1 . 1 1 89 89 ASN CB C 89 37.030 37.030 38.559 -1.529 19910 496 1 1 . 1 1 89 89 ASN H H 89 8.470 8.470 8.331 0.139 19910 497 1 1 . 1 1 90 90 MET N N 90 117.460 117.460 117.859 -0.399 19910 498 1 1 . 1 1 90 90 MET HA H 90 4.626 4.626 4.457 0.169 19910 499 1 1 . 1 1 90 90 MET C C 90 176.040 176.040 177.095 -1.055 19910 500 1 1 . 1 1 90 90 MET CA C 90 54.340 54.340 55.671 -1.331 19910 501 1 1 . 1 1 90 90 MET CB C 90 32.550 32.550 34.324 -1.774 19910 502 1 1 . 1 1 90 90 MET H H 90 7.460 7.460 7.455 0.005 19910 503 1 1 . 1 1 91 91 LEU N N 91 121.330 121.330 121.129 0.201 19910 504 1 1 . 1 1 91 91 LEU HA H 91 4.277 4.277 4.159 0.118 19910 505 1 1 . 1 1 91 91 LEU C C 91 176.870 176.870 175.755 1.115 19910 506 1 1 . 1 1 91 91 LEU CA C 91 56.390 56.390 55.861 0.529 19910 507 1 1 . 1 1 91 91 LEU CB C 91 42.480 42.480 42.505 -0.025 19910 508 1 1 . 1 1 91 91 LEU H H 91 7.280 7.280 8.146 -0.866 19910 509 1 1 . 1 1 92 92 THR N N 92 113.970 113.970 113.565 0.405 19910 510 1 1 . 1 1 92 92 THR HA H 92 4.582 4.582 4.461 0.121 19910 511 1 1 . 1 1 92 92 THR C C 92 173.180 173.180 173.377 -0.197 19910 512 1 1 . 1 1 92 92 THR CA C 92 60.390 60.390 61.186 -0.796 19910 513 1 1 . 1 1 92 92 THR CB C 92 71.160 71.160 70.883 0.277 19910 514 1 1 . 1 1 92 92 THR H H 92 8.110 8.110 8.101 0.009 19910 515 1 1 . 1 1 93 93 ALA N N 93 124.650 124.650 126.088 -1.438 19910 516 1 1 . 1 1 93 93 ALA HA H 93 4.245 4.245 4.774 -0.529 19910 517 1 1 . 1 1 93 93 ALA C C 93 177.650 177.650 176.555 1.095 19910 518 1 1 . 1 1 93 93 ALA CA C 93 52.640 52.640 51.342 1.298 19910 519 1 1 . 1 1 93 93 ALA CB C 93 19.670 19.670 19.796 -0.126 19910 520 1 1 . 1 1 93 93 ALA H H 93 8.430 8.430 8.262 0.168 19910 521 1 1 . 1 1 94 94 LEU N N 94 123.150 123.150 120.726 2.424 19910 522 1 1 . 1 1 94 94 LEU HA H 94 4.450 4.450 4.722 -0.272 19910 523 1 1 . 1 1 94 94 LEU C C 94 177.420 177.420 176.569 0.851 19910 524 1 1 . 1 1 94 94 LEU CA C 94 54.940 54.940 54.529 0.411 19910 525 1 1 . 1 1 94 94 LEU CB C 94 42.480 42.480 42.673 -0.193 19910 526 1 1 . 1 1 94 94 LEU H H 94 8.450 8.450 8.197 0.253 19910 527 1 1 . 1 1 95 95 LEU N N 95 124.390 124.390 124.330 0.060 19910 528 1 1 . 1 1 95 95 LEU HA H 95 4.409 4.409 4.627 -0.218 19910 529 1 1 . 1 1 95 95 LEU C C 95 175.990 175.990 177.340 -1.350 19910 530 1 1 . 1 1 95 95 LEU CA C 95 55.060 55.060 55.030 0.030 19910 531 1 1 . 1 1 95 95 LEU CB C 95 42.360 42.360 42.524 -0.164 19910 532 1 1 . 1 1 95 95 LEU H H 95 8.380 8.380 8.454 -0.074 19910 533 1 2 . 1 1 2 2 LEU N N 2 123.170 123.170 124.286 -1.116 19910 534 1 2 . 1 1 2 2 LEU HA H 2 4.588 4.588 4.775 -0.187 19910 535 1 2 . 1 1 2 2 LEU C C 2 176.260 176.260 176.219 0.041 19910 536 1 2 . 1 1 2 2 LEU CA C 2 53.730 53.730 54.348 -0.618 19910 537 1 2 . 1 1 2 2 LEU CB C 2 44.290 44.290 42.915 1.375 19910 538 1 2 . 1 1 2 2 LEU H H 2 8.690 8.690 8.125 0.565 19910 539 1 2 . 1 1 3 3 THR N N 3 120.960 120.960 118.625 2.335 19910 540 1 2 . 1 1 3 3 THR HA H 3 5.193 5.193 4.567 0.626 19910 541 1 2 . 1 1 3 3 THR CA C 3 59.990 59.990 60.791 -0.801 19910 542 1 2 . 1 1 3 3 THR CB C 3 69.950 69.950 69.066 0.884 19910 543 1 2 . 1 1 3 3 THR H H 3 8.850 8.850 8.277 0.573 19910 544 1 2 . 1 1 4 4 PRO HA H 4 4.718 4.718 4.324 0.394 19910 545 1 2 . 1 1 4 4 PRO C C 4 175.870 175.870 176.849 -0.979 19910 546 1 2 . 1 1 4 4 PRO CA C 4 62.080 62.080 62.980 -0.900 19910 547 1 2 . 1 1 4 4 PRO CB C 4 31.950 31.950 31.972 -0.022 19910 548 1 2 . 1 1 5 5 ALA N N 5 122.560 122.560 124.836 -2.276 19910 549 1 2 . 1 1 5 5 ALA HA H 5 4.348 4.348 4.441 -0.093 19910 550 1 2 . 1 1 5 5 ALA C C 5 176.360 176.360 176.479 -0.119 19910 551 1 2 . 1 1 5 5 ALA CA C 5 52.280 52.280 50.824 1.456 19910 552 1 2 . 1 1 5 5 ALA CB C 5 18.880 18.880 17.989 0.891 19910 553 1 2 . 1 1 5 5 ALA H H 5 8.400 8.400 8.468 -0.068 19910 554 1 2 . 1 1 6 6 PHE N N 6 115.160 115.160 119.572 -4.412 19910 555 1 2 . 1 1 6 6 PHE HA H 6 5.537 5.537 4.773 0.764 19910 556 1 2 . 1 1 6 6 PHE C C 6 172.590 172.590 174.940 -2.350 19910 557 1 2 . 1 1 6 6 PHE CA C 6 55.430 55.430 56.634 -1.204 19910 558 1 2 . 1 1 6 6 PHE CB C 6 42.240 42.240 39.695 2.545 19910 559 1 2 . 1 1 6 6 PHE H H 6 7.740 7.740 7.567 0.173 19910 560 1 2 . 1 1 7 7 ASP N N 7 118.960 118.960 119.904 -0.944 19910 561 1 2 . 1 1 7 7 ASP HA H 7 4.813 4.813 4.846 -0.033 19910 562 1 2 . 1 1 7 7 ASP C C 7 174.530 174.530 173.912 0.618 19910 563 1 2 . 1 1 7 7 ASP CA C 7 53.370 53.370 53.511 -0.141 19910 564 1 2 . 1 1 7 7 ASP CB C 7 45.380 45.380 44.824 0.556 19910 565 1 2 . 1 1 7 7 ASP H H 7 8.910 8.910 8.511 0.399 19910 566 1 2 . 1 1 8 8 LEU N N 8 123.470 123.470 121.050 2.420 19910 567 1 2 . 1 1 8 8 LEU HA H 8 5.284 5.284 4.609 0.675 19910 568 1 2 . 1 1 8 8 LEU C C 8 175.420 175.420 176.185 -0.765 19910 569 1 2 . 1 1 8 8 LEU CA C 8 53.850 53.850 53.763 0.087 19910 570 1 2 . 1 1 8 8 LEU CB C 8 45.620 45.620 44.168 1.452 19910 571 1 2 . 1 1 8 8 LEU H H 8 8.750 8.750 8.345 0.405 19910 572 1 2 . 1 1 9 9 SER N N 9 115.920 115.920 117.613 -1.693 19910 573 1 2 . 1 1 9 9 SER HA H 9 4.486 4.486 4.779 -0.293 19910 574 1 2 . 1 1 9 9 SER C C 9 171.680 171.680 173.187 -1.507 19910 575 1 2 . 1 1 9 9 SER CA C 9 57.000 57.000 56.880 0.120 19910 576 1 2 . 1 1 9 9 SER CB C 9 65.590 65.590 65.586 0.004 19910 577 1 2 . 1 1 9 9 SER H H 9 8.860 8.860 8.788 0.072 19910 578 1 2 . 1 1 10 10 GLN N N 10 115.230 115.230 122.517 -7.287 19910 579 1 2 . 1 1 10 10 GLN HA H 10 5.375 5.375 4.421 0.954 19910 580 1 2 . 1 1 10 10 GLN C C 10 172.130 172.130 173.146 -1.016 19910 581 1 2 . 1 1 10 10 GLN CA C 10 54.270 54.270 54.409 -0.139 19910 582 1 2 . 1 1 10 10 GLN CB C 10 32.990 32.990 30.893 2.097 19910 583 1 2 . 1 1 10 10 GLN H H 10 8.800 8.800 8.341 0.459 19910 584 1 2 . 1 1 11 11 ASP N N 11 124.270 124.270 122.300 1.970 19910 585 1 2 . 1 1 11 11 ASP HA H 11 4.768 4.768 5.000 -0.232 19910 586 1 2 . 1 1 11 11 ASP CA C 11 52.530 52.530 51.253 1.277 19910 587 1 2 . 1 1 11 11 ASP CB C 11 42.200 42.200 43.158 -0.958 19910 588 1 2 . 1 1 11 11 ASP H H 11 8.680 8.680 8.272 0.408 19910 589 1 2 . 1 1 12 12 PRO HA H 12 4.050 4.050 4.356 -0.306 19910 590 1 2 . 1 1 12 12 PRO C C 12 175.290 175.290 175.685 -0.395 19910 591 1 2 . 1 1 12 12 PRO CA C 12 66.920 66.920 64.685 2.235 19910 592 1 2 . 1 1 12 12 PRO CB C 12 31.950 31.950 32.229 -0.279 19910 593 1 2 . 1 1 13 13 ASP N N 13 110.550 110.550 114.552 -4.002 19910 594 1 2 . 1 1 13 13 ASP HA H 13 4.632 4.632 4.593 0.039 19910 595 1 2 . 1 1 13 13 ASP C C 13 176.480 176.480 174.029 2.451 19910 596 1 2 . 1 1 13 13 ASP CA C 13 54.940 54.940 53.612 1.328 19910 597 1 2 . 1 1 13 13 ASP CB C 13 44.410 44.410 42.105 2.305 19910 598 1 2 . 1 1 13 13 ASP H H 13 7.990 7.990 8.388 -0.398 19910 599 1 2 . 1 1 14 14 PHE N N 14 118.880 118.880 116.255 2.625 19910 600 1 2 . 1 1 14 14 PHE HA H 14 5.049 5.049 4.958 0.091 19910 601 1 2 . 1 1 14 14 PHE C C 14 174.690 174.690 173.305 1.385 19910 602 1 2 . 1 1 14 14 PHE CA C 14 57.600 57.600 57.161 0.439 19910 603 1 2 . 1 1 14 14 PHE CB C 14 42.960 42.960 42.442 0.518 19910 604 1 2 . 1 1 14 14 PHE H H 14 8.390 8.390 7.874 0.516 19910 605 1 2 . 1 1 15 15 LEU N N 15 123.990 123.990 121.420 2.570 19910 606 1 2 . 1 1 15 15 LEU HA H 15 4.613 4.613 4.628 -0.015 19910 607 1 2 . 1 1 15 15 LEU C C 15 174.780 174.780 174.877 -0.097 19910 608 1 2 . 1 1 15 15 LEU CA C 15 53.250 53.250 54.323 -1.073 19910 609 1 2 . 1 1 15 15 LEU CB C 15 45.020 45.020 43.911 1.109 19910 610 1 2 . 1 1 15 15 LEU H H 15 9.200 9.200 9.050 0.150 19910 611 1 2 . 1 1 16 16 THR N N 16 122.960 122.960 123.747 -0.787 19910 612 1 2 . 1 1 16 16 THR HA H 16 4.849 4.849 4.911 -0.062 19910 613 1 2 . 1 1 16 16 THR C C 16 172.810 172.810 173.761 -0.951 19910 614 1 2 . 1 1 16 16 THR CA C 16 62.690 62.690 62.429 0.261 19910 615 1 2 . 1 1 16 16 THR CB C 16 69.340 69.340 70.582 -1.242 19910 616 1 2 . 1 1 16 16 THR H H 16 9.000 9.000 8.849 0.151 19910 617 1 2 . 1 1 17 17 ILE N N 17 126.630 126.630 123.295 3.335 19910 618 1 2 . 1 1 17 17 ILE HA H 17 4.439 4.439 4.187 0.252 19910 619 1 2 . 1 1 17 17 ILE C C 17 172.580 172.580 173.528 -0.948 19910 620 1 2 . 1 1 17 17 ILE CA C 17 60.030 60.030 59.588 0.442 19910 621 1 2 . 1 1 17 17 ILE CB C 17 39.450 39.450 41.638 -2.188 19910 622 1 2 . 1 1 17 17 ILE H H 17 8.680 8.680 8.236 0.444 19910 623 1 2 . 1 1 18 18 ALA N N 18 130.190 130.190 126.376 3.814 19910 624 1 2 . 1 1 18 18 ALA HA H 18 5.215 5.215 5.415 -0.200 19910 625 1 2 . 1 1 18 18 ALA C C 18 176.660 176.660 175.847 0.813 19910 626 1 2 . 1 1 18 18 ALA CA C 18 49.980 49.980 50.239 -0.258 19910 627 1 2 . 1 1 18 18 ALA CB C 18 20.570 20.570 21.252 -0.682 19910 628 1 2 . 1 1 18 18 ALA H H 18 8.490 8.490 8.344 0.146 19910 629 1 2 . 1 1 19 19 ILE N N 19 124.920 124.920 124.148 0.772 19910 630 1 2 . 1 1 19 19 ILE HA H 19 4.307 4.307 4.399 -0.092 19910 631 1 2 . 1 1 19 19 ILE C C 19 174.710 174.710 174.724 -0.014 19910 632 1 2 . 1 1 19 19 ILE CA C 19 60.990 60.990 60.211 0.779 19910 633 1 2 . 1 1 19 19 ILE CB C 19 40.900 40.900 40.300 0.600 19910 634 1 2 . 1 1 19 19 ILE H H 19 9.590 9.590 8.722 0.868 19910 635 1 2 . 1 1 20 20 ARG N N 20 128.960 128.960 128.258 0.702 19910 636 1 2 . 1 1 20 20 ARG HA H 20 4.642 4.642 4.735 -0.093 19910 637 1 2 . 1 1 20 20 ARG C C 20 174.890 174.890 175.351 -0.461 19910 638 1 2 . 1 1 20 20 ARG CA C 20 56.030 56.030 55.442 0.588 19910 639 1 2 . 1 1 20 20 ARG CB C 20 29.530 29.530 31.038 -1.508 19910 640 1 2 . 1 1 20 20 ARG H H 20 8.600 8.600 8.644 -0.044 19910 641 1 2 . 1 1 21 21 VAL N N 21 120.400 120.400 120.301 0.099 19910 642 1 2 . 1 1 21 21 VAL HA H 21 4.010 4.010 4.662 -0.652 19910 643 1 2 . 1 1 21 21 VAL C C 21 174.950 174.950 174.967 -0.017 19910 644 1 2 . 1 1 21 21 VAL CA C 21 59.420 59.420 60.764 -1.344 19910 645 1 2 . 1 1 21 21 VAL CB C 21 33.280 33.280 35.202 -1.922 19910 646 1 2 . 1 1 21 21 VAL H H 21 8.020 8.020 8.532 -0.512 19910 647 1 2 . 1 1 22 22 SER N N 22 118.050 118.050 121.390 -3.340 19910 648 1 2 . 1 1 22 22 SER HA H 22 4.540 4.540 4.713 -0.173 19910 649 1 2 . 1 1 22 22 SER C C 22 174.110 174.110 175.579 -1.469 19910 650 1 2 . 1 1 22 22 SER CA C 22 59.540 59.540 58.648 0.892 19910 651 1 2 . 1 1 22 22 SER CB C 22 63.600 63.600 63.843 -0.242 19910 652 1 2 . 1 1 22 22 SER H H 22 7.770 7.770 8.681 -0.911 19910 653 1 2 . 1 1 23 23 TYR N N 23 120.870 120.870 121.520 -0.650 19910 654 1 2 . 1 1 23 23 TYR HA H 23 4.493 4.493 4.508 -0.015 19910 655 1 2 . 1 1 23 23 TYR C C 23 175.310 175.310 175.298 0.012 19910 656 1 2 . 1 1 23 23 TYR CA C 23 58.210 58.210 57.271 0.939 19910 657 1 2 . 1 1 23 23 TYR CB C 23 37.880 37.880 37.676 0.204 19910 658 1 2 . 1 1 23 23 TYR H H 23 8.300 8.300 8.198 0.102 19910 659 1 2 . 1 1 24 24 ALA N N 24 122.670 122.670 123.311 -0.641 19910 660 1 2 . 1 1 24 24 ALA HA H 24 4.303 4.303 4.261 0.042 19910 661 1 2 . 1 1 24 24 ALA C C 24 177.160 177.160 177.829 -0.669 19910 662 1 2 . 1 1 24 24 ALA CA C 24 52.520 52.520 53.273 -0.753 19910 663 1 2 . 1 1 24 24 ALA CB C 24 19.730 19.730 19.399 0.331 19910 664 1 2 . 1 1 24 24 ALA H H 24 7.910 7.910 7.820 0.090 19910 665 1 2 . 1 1 25 25 ARG N N 25 119.060 119.060 122.356 -3.296 19910 666 1 2 . 1 1 25 25 ARG HA H 25 4.346 4.346 4.384 -0.038 19910 667 1 2 . 1 1 25 25 ARG C C 25 175.830 175.830 175.391 0.439 19910 668 1 2 . 1 1 25 25 ARG CA C 25 55.550 55.550 56.191 -0.641 19910 669 1 2 . 1 1 25 25 ARG CB C 25 30.500 30.500 30.745 -0.245 19910 670 1 2 . 1 1 25 25 ARG H H 25 8.220 8.220 8.618 -0.398 19910 671 1 2 . 1 1 26 26 VAL N N 26 118.660 118.660 112.138 6.522 19910 672 1 2 . 1 1 26 26 VAL HA H 26 3.454 3.454 4.396 -0.942 19910 673 1 2 . 1 1 26 26 VAL C C 26 175.700 175.700 175.921 -0.221 19910 674 1 2 . 1 1 26 26 VAL CA C 26 61.960 61.960 61.081 0.879 19910 675 1 2 . 1 1 26 26 VAL CB C 26 32.800 32.800 34.468 -1.668 19910 676 1 2 . 1 1 26 26 VAL H H 26 7.650 7.650 7.423 0.227 19910 677 1 2 . 1 1 27 27 SER N N 27 116.090 116.090 119.273 -3.183 19910 678 1 2 . 1 1 27 27 SER HA H 27 4.183 4.183 4.148 0.035 19910 679 1 2 . 1 1 27 27 SER C C 27 173.750 173.750 174.602 -0.852 19910 680 1 2 . 1 1 27 27 SER CA C 27 58.570 58.570 60.571 -2.001 19910 681 1 2 . 1 1 27 27 SER CB C 27 63.530 63.530 63.431 0.099 19910 682 1 2 . 1 1 27 27 SER H H 27 8.180 8.180 8.681 -0.501 19910 683 1 2 . 1 1 28 28 GLU N N 28 120.070 120.070 119.791 0.279 19910 684 1 2 . 1 1 28 28 GLU HA H 28 4.203 4.203 4.036 0.167 19910 685 1 2 . 1 1 28 28 GLU C C 28 174.790 174.790 175.164 -0.374 19910 686 1 2 . 1 1 28 28 GLU CA C 28 55.550 55.550 55.113 0.437 19910 687 1 2 . 1 1 28 28 GLU CB C 28 30.620 30.620 31.182 -0.562 19910 688 1 2 . 1 1 28 28 GLU H H 28 7.400 7.400 7.929 -0.529 19910 689 1 2 . 1 1 29 29 PHE N N 29 120.340 120.340 121.305 -0.965 19910 690 1 2 . 1 1 29 29 PHE HA H 29 4.487 4.487 4.560 -0.073 19910 691 1 2 . 1 1 29 29 PHE C C 29 174.580 174.580 175.732 -1.152 19910 692 1 2 . 1 1 29 29 PHE CA C 29 55.790 55.790 54.963 0.827 19910 693 1 2 . 1 1 29 29 PHE CB C 29 39.690 39.690 39.972 -0.282 19910 694 1 2 . 1 1 29 29 PHE H H 29 7.820 7.820 7.844 -0.024 19910 695 1 2 . 1 1 30 30 ASP N N 30 123.670 123.670 122.241 1.429 19910 696 1 2 . 1 1 30 30 ASP HA H 30 4.817 4.817 4.997 -0.180 19910 697 1 2 . 1 1 30 30 ASP C C 30 174.040 174.040 174.829 -0.789 19910 698 1 2 . 1 1 30 30 ASP CA C 30 53.850 53.850 53.994 -0.144 19910 699 1 2 . 1 1 30 30 ASP CB C 30 43.450 43.450 42.732 0.718 19910 700 1 2 . 1 1 30 30 ASP H H 30 8.420 8.420 8.496 -0.076 19910 701 1 2 . 1 1 31 31 VAL N N 31 123.010 123.010 122.766 0.244 19910 702 1 2 . 1 1 31 31 VAL HA H 31 4.768 4.768 4.953 -0.185 19910 703 1 2 . 1 1 31 31 VAL C C 31 173.980 173.980 174.812 -0.832 19910 704 1 2 . 1 1 31 31 VAL CA C 31 60.510 60.510 61.323 -0.813 19910 705 1 2 . 1 1 31 31 VAL CB C 31 34.730 34.730 33.461 1.270 19910 706 1 2 . 1 1 31 31 VAL H H 31 8.270 8.270 8.459 -0.189 19910 707 1 2 . 1 1 32 32 TYR N N 32 127.340 127.340 127.221 0.119 19910 708 1 2 . 1 1 32 32 TYR HA H 32 4.624 4.624 4.792 -0.168 19910 709 1 2 . 1 1 32 32 TYR C C 32 172.990 172.990 174.076 -1.086 19910 710 1 2 . 1 1 32 32 TYR CA C 32 56.520 56.520 56.660 -0.140 19910 711 1 2 . 1 1 32 32 TYR CB C 32 41.870 41.870 41.919 -0.049 19910 712 1 2 . 1 1 32 32 TYR H H 32 8.920 8.920 8.750 0.170 19910 713 1 2 . 1 1 33 33 PHE N N 33 121.160 121.160 120.626 0.534 19910 714 1 2 . 1 1 33 33 PHE HA H 33 5.106 5.106 5.890 -0.784 19910 715 1 2 . 1 1 33 33 PHE C C 33 173.100 173.100 174.309 -1.209 19910 716 1 2 . 1 1 33 33 PHE CA C 33 55.310 55.310 55.298 0.012 19910 717 1 2 . 1 1 33 33 PHE CB C 33 40.420 40.420 42.372 -1.952 19910 718 1 2 . 1 1 33 33 PHE H H 33 7.510 7.510 8.373 -0.863 19910 719 1 2 . 1 1 34 34 GLU N N 34 120.460 120.460 123.994 -3.534 19910 720 1 2 . 1 1 34 34 GLU HA H 34 4.099 4.099 4.755 -0.656 19910 721 1 2 . 1 1 34 34 GLU C C 34 175.700 175.700 176.307 -0.607 19910 722 1 2 . 1 1 34 34 GLU CA C 34 56.640 56.640 55.352 1.288 19910 723 1 2 . 1 1 34 34 GLU CB C 34 31.340 31.340 31.854 -0.514 19910 724 1 2 . 1 1 34 34 GLU H H 34 8.190 8.190 8.541 -0.351 19910 725 1 2 . 1 1 35 35 GLY N N 35 117.400 117.400 116.495 0.905 19910 726 1 2 . 1 1 35 35 GLY C C 35 173.120 173.120 174.454 -1.334 19910 727 1 2 . 1 1 35 35 GLY CA C 35 47.680 47.680 47.398 0.282 19910 728 1 2 . 1 1 35 35 GLY H H 35 9.240 9.240 9.231 0.009 19910 729 1 2 . 1 1 36 36 SER N N 36 122.510 122.510 116.786 5.724 19910 730 1 2 . 1 1 36 36 SER HA H 36 4.795 4.795 4.682 0.113 19910 731 1 2 . 1 1 36 36 SER C C 36 172.680 172.680 172.555 0.125 19910 732 1 2 . 1 1 36 36 SER CA C 36 57.360 57.360 58.277 -0.917 19910 733 1 2 . 1 1 36 36 SER CB C 36 64.500 64.500 65.210 -0.711 19910 734 1 2 . 1 1 36 36 SER H H 36 8.930 8.930 8.590 0.340 19910 735 1 2 . 1 1 37 37 ASP N N 37 123.120 123.120 124.181 -1.061 19910 736 1 2 . 1 1 37 37 ASP HA H 37 5.192 5.192 5.067 0.125 19910 737 1 2 . 1 1 37 37 ASP C C 37 174.170 174.170 174.394 -0.224 19910 738 1 2 . 1 1 37 37 ASP CA C 37 54.340 54.340 54.349 -0.009 19910 739 1 2 . 1 1 37 37 ASP CB C 37 43.810 43.810 42.571 1.239 19910 740 1 2 . 1 1 37 37 ASP H H 37 8.600 8.600 8.295 0.305 19910 741 1 2 . 1 1 38 38 PHE N N 38 122.850 122.850 127.849 -4.999 19910 742 1 2 . 1 1 38 38 PHE HA H 38 5.053 5.053 5.690 -0.637 19910 743 1 2 . 1 1 38 38 PHE C C 38 172.810 172.810 173.384 -0.574 19910 744 1 2 . 1 1 38 38 PHE CA C 38 57.000 57.000 56.322 0.678 19910 745 1 2 . 1 1 38 38 PHE CB C 38 43.080 43.080 42.282 0.798 19910 746 1 2 . 1 1 38 38 PHE H H 38 8.340 8.340 9.270 -0.930 19910 747 1 2 . 1 1 39 39 LYS N N 39 126.630 126.630 128.207 -1.577 19910 748 1 2 . 1 1 39 39 LYS HA H 39 4.816 4.816 5.403 -0.587 19910 749 1 2 . 1 1 39 39 LYS C C 39 172.540 172.540 174.355 -1.815 19910 750 1 2 . 1 1 39 39 LYS CA C 39 54.890 54.890 53.936 0.954 19910 751 1 2 . 1 1 39 39 LYS CB C 39 36.790 36.790 35.464 1.326 19910 752 1 2 . 1 1 39 39 LYS H H 39 8.690 8.690 8.841 -0.151 19910 753 1 2 . 1 1 40 40 PHE N N 40 123.910 123.910 125.536 -1.626 19910 754 1 2 . 1 1 40 40 PHE HA H 40 4.923 4.923 5.450 -0.527 19910 755 1 2 . 1 1 40 40 PHE C C 40 171.900 171.900 172.996 -1.096 19910 756 1 2 . 1 1 40 40 PHE CA C 40 55.910 55.910 55.416 0.493 19910 757 1 2 . 1 1 40 40 PHE CB C 40 43.450 43.450 42.372 1.078 19910 758 1 2 . 1 1 40 40 PHE H H 40 8.750 8.750 8.835 -0.085 19910 759 1 2 . 1 1 41 41 TYR N N 41 126.490 126.490 124.837 1.653 19910 760 1 2 . 1 1 41 41 TYR HA H 41 4.958 4.958 5.428 -0.470 19910 761 1 2 . 1 1 41 41 TYR C C 41 173.070 173.070 174.243 -1.173 19910 762 1 2 . 1 1 41 41 TYR CA C 41 55.670 55.670 54.983 0.688 19910 763 1 2 . 1 1 41 41 TYR CB C 41 41.510 41.510 40.368 1.142 19910 764 1 2 . 1 1 41 41 TYR H H 41 8.450 8.450 8.795 -0.345 19910 765 1 2 . 1 1 42 42 ALA N N 42 129.720 129.720 127.301 2.419 19910 766 1 2 . 1 1 42 42 ALA HA H 42 4.024 4.024 4.451 -0.427 19910 767 1 2 . 1 1 42 42 ALA C C 42 174.350 174.350 176.803 -2.453 19910 768 1 2 . 1 1 42 42 ALA CA C 42 51.190 51.190 52.439 -1.249 19910 769 1 2 . 1 1 42 42 ALA CB C 42 20.330 20.330 20.454 -0.124 19910 770 1 2 . 1 1 42 42 ALA H H 42 7.970 7.970 7.956 0.014 19910 771 1 2 . 1 1 43 43 LYS N N 43 124.250 124.250 117.151 7.099 19910 772 1 2 . 1 1 43 43 LYS HA H 43 3.634 3.634 4.484 -0.850 19910 773 1 2 . 1 1 43 43 LYS CA C 43 56.260 56.260 57.118 -0.858 19910 774 1 2 . 1 1 43 43 LYS CB C 43 32.860 32.860 31.779 1.081 19910 775 1 2 . 1 1 43 43 LYS H H 43 7.850 7.850 7.957 -0.107 19910 776 1 2 . 1 1 44 44 PRO HA H 44 4.487 4.487 4.605 -0.118 19910 777 1 2 . 1 1 44 44 PRO C C 44 173.980 173.980 175.702 -1.722 19910 778 1 2 . 1 1 44 44 PRO CA C 44 64.380 64.380 63.187 1.193 19910 779 1 2 . 1 1 44 44 PRO CB C 44 34.010 34.010 32.274 1.736 19910 780 1 2 . 1 1 45 45 TYR N N 45 126.840 126.840 119.646 7.194 19910 781 1 2 . 1 1 45 45 TYR HA H 45 5.274 5.274 4.703 0.571 19910 782 1 2 . 1 1 45 45 TYR C C 45 175.290 175.290 174.127 1.163 19910 783 1 2 . 1 1 45 45 TYR CA C 45 58.330 58.330 56.904 1.426 19910 784 1 2 . 1 1 45 45 TYR CB C 45 40.300 40.300 39.615 0.685 19910 785 1 2 . 1 1 45 45 TYR H H 45 9.360 9.360 7.656 1.704 19910 786 1 2 . 1 1 46 46 PHE N N 46 121.470 121.470 125.036 -3.566 19910 787 1 2 . 1 1 46 46 PHE HA H 46 5.422 5.422 5.098 0.324 19910 788 1 2 . 1 1 46 46 PHE C C 46 173.180 173.180 173.562 -0.382 19910 789 1 2 . 1 1 46 46 PHE CA C 46 56.520 56.520 56.595 -0.075 19910 790 1 2 . 1 1 46 46 PHE CB C 46 43.930 43.930 41.266 2.664 19910 791 1 2 . 1 1 46 46 PHE H H 46 8.870 8.870 8.911 -0.041 19910 792 1 2 . 1 1 47 47 LEU N N 47 129.700 129.700 130.078 -0.378 19910 793 1 2 . 1 1 47 47 LEU HA H 47 4.565 4.565 4.306 0.259 19910 794 1 2 . 1 1 47 47 LEU C C 47 171.770 171.770 174.257 -2.487 19910 795 1 2 . 1 1 47 47 LEU CA C 47 53.130 53.130 53.538 -0.408 19910 796 1 2 . 1 1 47 47 LEU CB C 47 47.560 47.560 44.602 2.958 19910 797 1 2 . 1 1 47 47 LEU H H 47 8.850 8.850 8.752 0.098 19910 798 1 2 . 1 1 48 48 ARG N N 48 127.760 127.760 127.445 0.315 19910 799 1 2 . 1 1 48 48 ARG HA H 48 5.283 5.283 4.845 0.438 19910 800 1 2 . 1 1 48 48 ARG C C 48 174.090 174.090 174.509 -0.419 19910 801 1 2 . 1 1 48 48 ARG CA C 48 54.100 54.100 54.730 -0.630 19910 802 1 2 . 1 1 48 48 ARG CB C 48 33.160 33.160 31.026 2.134 19910 803 1 2 . 1 1 48 48 ARG H H 48 8.620 8.620 8.100 0.520 19910 804 1 2 . 1 1 49 49 LEU N N 49 122.890 122.890 128.533 -5.643 19910 805 1 2 . 1 1 49 49 LEU HA H 49 4.855 4.855 4.712 0.143 19910 806 1 2 . 1 1 49 49 LEU C C 49 175.880 175.880 175.358 0.522 19910 807 1 2 . 1 1 49 49 LEU CA C 49 52.880 52.880 53.864 -0.984 19910 808 1 2 . 1 1 49 49 LEU CB C 49 47.800 47.800 45.703 2.098 19910 809 1 2 . 1 1 49 49 LEU H H 49 8.970 8.970 9.315 -0.345 19910 810 1 2 . 1 1 50 50 THR N N 50 118.610 118.610 120.340 -1.730 19910 811 1 2 . 1 1 50 50 THR HA H 50 4.862 4.862 4.831 0.031 19910 812 1 2 . 1 1 50 50 THR C C 50 174.610 174.610 174.576 0.034 19910 813 1 2 . 1 1 50 50 THR CA C 50 61.110 61.110 61.882 -0.772 19910 814 1 2 . 1 1 50 50 THR CB C 50 69.220 69.220 68.933 0.287 19910 815 1 2 . 1 1 50 50 THR H H 50 8.670 8.670 8.457 0.213 19910 816 1 2 . 1 1 51 51 LEU N N 51 126.300 126.300 129.277 -2.977 19910 817 1 2 . 1 1 51 51 LEU HA H 51 4.302 4.302 4.324 -0.022 19910 818 1 2 . 1 1 51 51 LEU CA C 51 52.650 52.650 53.594 -0.944 19910 819 1 2 . 1 1 51 51 LEU CB C 51 41.950 41.950 41.409 0.541 19910 820 1 2 . 1 1 51 51 LEU H H 51 9.540 9.540 7.875 1.665 19910 821 1 2 . 1 1 52 52 PRO HA H 52 4.401 4.401 4.173 0.228 19910 822 1 2 . 1 1 52 52 PRO C C 52 174.240 174.240 176.610 -2.370 19910 823 1 2 . 1 1 52 52 PRO CA C 52 62.690 62.690 63.859 -1.169 19910 824 1 2 . 1 1 52 52 PRO CB C 52 30.620 30.620 31.945 -1.325 19910 825 1 2 . 1 1 53 53 GLY N N 53 105.990 105.990 105.527 0.463 19910 826 1 2 . 1 1 53 53 GLY C C 53 170.520 170.520 172.651 -2.131 19910 827 1 2 . 1 1 53 53 GLY CA C 53 43.450 43.450 43.034 0.416 19910 828 1 2 . 1 1 53 53 GLY H H 53 6.550 6.550 6.737 -0.187 19910 829 1 2 . 1 1 54 54 ARG N N 54 115.660 115.660 118.541 -2.881 19910 830 1 2 . 1 1 54 54 ARG HA H 54 4.347 4.347 5.170 -0.823 19910 831 1 2 . 1 1 54 54 ARG C C 54 176.940 176.940 174.779 2.161 19910 832 1 2 . 1 1 54 54 ARG CA C 54 55.890 55.890 54.998 0.892 19910 833 1 2 . 1 1 54 54 ARG CB C 54 32.310 32.310 34.424 -2.114 19910 834 1 2 . 1 1 54 54 ARG H H 54 8.210 8.210 8.321 -0.111 19910 835 1 2 . 1 1 55 55 ILE N N 55 118.910 118.910 123.847 -4.937 19910 836 1 2 . 1 1 55 55 ILE HA H 55 5.003 5.003 4.655 0.348 19910 837 1 2 . 1 1 55 55 ILE C C 55 175.310 175.310 175.132 0.178 19910 838 1 2 . 1 1 55 55 ILE CA C 55 58.500 58.500 58.466 0.034 19910 839 1 2 . 1 1 55 55 ILE CB C 55 40.950 40.950 39.116 1.834 19910 840 1 2 . 1 1 55 55 ILE H H 55 8.640 8.640 8.534 0.106 19910 841 1 2 . 1 1 56 56 VAL N N 56 118.140 118.140 124.818 -6.678 19910 842 1 2 . 1 1 56 56 VAL HA H 56 4.438 4.438 4.005 0.433 19910 843 1 2 . 1 1 56 56 VAL C C 56 172.920 172.920 175.293 -2.373 19910 844 1 2 . 1 1 56 56 VAL CA C 56 60.510 60.510 63.034 -2.524 19910 845 1 2 . 1 1 56 56 VAL CB C 56 34.850 34.850 32.978 1.872 19910 846 1 2 . 1 1 56 56 VAL H H 56 8.330 8.330 7.854 0.476 19910 847 1 2 . 1 1 57 57 GLU N N 57 123.300 123.300 126.709 -3.409 19910 848 1 2 . 1 1 57 57 GLU HA H 57 4.358 4.358 4.972 -0.614 19910 849 1 2 . 1 1 57 57 GLU C C 57 176.350 176.350 174.873 1.477 19910 850 1 2 . 1 1 57 57 GLU CA C 57 55.890 55.890 56.033 -0.144 19910 851 1 2 . 1 1 57 57 GLU CB C 57 29.880 29.880 31.107 -1.226 19910 852 1 2 . 1 1 57 57 GLU H H 57 8.380 8.380 8.583 -0.203 19910 853 1 2 . 1 1 58 58 ASN N N 58 121.570 121.570 124.429 -2.859 19910 854 1 2 . 1 1 58 58 ASN HA H 58 4.764 4.764 4.868 -0.104 19910 855 1 2 . 1 1 58 58 ASN C C 58 176.120 176.120 175.714 0.406 19910 856 1 2 . 1 1 58 58 ASN CA C 58 52.760 52.760 53.678 -0.918 19910 857 1 2 . 1 1 58 58 ASN CB C 58 38.970 38.970 41.008 -2.038 19910 858 1 2 . 1 1 58 58 ASN H H 58 8.360 8.360 8.812 -0.452 19910 859 1 2 . 1 1 59 59 GLY N N 59 112.050 112.050 108.723 3.327 19910 860 1 2 . 1 1 59 59 GLY C C 59 174.840 174.840 174.007 0.833 19910 861 1 2 . 1 1 59 59 GLY CA C 59 45.380 45.380 45.091 0.289 19910 862 1 2 . 1 1 59 59 GLY H H 59 9.350 9.350 8.447 0.903 19910 863 1 2 . 1 1 60 60 SER N N 60 115.430 115.430 115.888 -0.458 19910 864 1 2 . 1 1 60 60 SER HA H 60 4.536 4.536 4.696 -0.160 19910 865 1 2 . 1 1 60 60 SER C C 60 174.140 174.140 174.185 -0.045 19910 866 1 2 . 1 1 60 60 SER CA C 60 58.810 58.810 57.875 0.935 19910 867 1 2 . 1 1 60 60 SER CB C 60 64.140 64.140 63.445 0.695 19910 868 1 2 . 1 1 60 60 SER H H 60 8.350 8.350 8.367 -0.017 19910 869 1 2 . 1 1 61 61 GLU N N 61 122.950 122.950 121.158 1.792 19910 870 1 2 . 1 1 61 61 GLU HA H 61 4.525 4.525 4.474 0.051 19910 871 1 2 . 1 1 61 61 GLU C C 61 175.550 175.550 175.456 0.094 19910 872 1 2 . 1 1 61 61 GLU CA C 61 56.520 56.520 56.001 0.519 19910 873 1 2 . 1 1 61 61 GLU CB C 61 29.530 29.530 30.485 -0.955 19910 874 1 2 . 1 1 61 61 GLU H H 61 8.910 8.910 7.855 1.055 19910 875 1 2 . 1 1 62 62 GLN N N 62 120.280 120.280 119.179 1.101 19910 876 1 2 . 1 1 62 62 GLN HA H 62 4.601 4.601 4.569 0.032 19910 877 1 2 . 1 1 62 62 GLN C C 62 175.700 175.700 174.459 1.241 19910 878 1 2 . 1 1 62 62 GLN CA C 62 55.430 55.430 55.118 0.312 19910 879 1 2 . 1 1 62 62 GLN CB C 62 31.340 31.340 32.343 -1.003 19910 880 1 2 . 1 1 62 62 GLN H H 62 8.310 8.310 8.164 0.146 19910 881 1 2 . 1 1 63 63 GLY N N 63 111.400 111.400 111.221 0.179 19910 882 1 2 . 1 1 63 63 GLY C C 63 172.550 172.550 173.273 -0.723 19910 883 1 2 . 1 1 63 63 GLY CA C 63 44.690 44.690 44.436 0.254 19910 884 1 2 . 1 1 63 63 GLY H H 63 8.880 8.880 8.490 0.390 19910 885 1 2 . 1 1 64 64 SER N N 64 115.080 115.080 121.495 -6.415 19910 886 1 2 . 1 1 64 64 SER HA H 64 4.629 4.629 4.785 -0.156 19910 887 1 2 . 1 1 64 64 SER C C 64 171.770 171.770 172.788 -1.018 19910 888 1 2 . 1 1 64 64 SER CA C 64 57.120 57.120 58.466 -1.346 19910 889 1 2 . 1 1 64 64 SER CB C 64 65.230 65.230 64.725 0.505 19910 890 1 2 . 1 1 64 64 SER H H 64 8.280 8.280 8.964 -0.684 19910 891 1 2 . 1 1 65 65 TYR N N 65 124.640 124.640 128.753 -4.113 19910 892 1 2 . 1 1 65 65 TYR HA H 65 5.198 5.198 5.822 -0.624 19910 893 1 2 . 1 1 65 65 TYR C C 65 173.640 173.640 174.196 -0.556 19910 894 1 2 . 1 1 65 65 TYR CA C 65 55.670 55.670 56.655 -0.985 19910 895 1 2 . 1 1 65 65 TYR CB C 65 40.900 40.900 41.423 -0.523 19910 896 1 2 . 1 1 65 65 TYR H H 65 8.980 8.980 8.702 0.278 19910 897 1 2 . 1 1 66 66 ASP N N 66 128.570 128.570 126.514 2.056 19910 898 1 2 . 1 1 66 66 ASP HA H 66 4.532 4.532 4.687 -0.155 19910 899 1 2 . 1 1 66 66 ASP C C 66 175.340 175.340 174.864 0.476 19910 900 1 2 . 1 1 66 66 ASP CA C 66 51.800 51.800 52.824 -1.024 19910 901 1 2 . 1 1 66 66 ASP CB C 66 41.510 41.510 44.102 -2.592 19910 902 1 2 . 1 1 66 66 ASP H H 66 8.000 8.000 8.159 -0.159 19910 903 1 2 . 1 1 67 67 ALA N N 67 127.520 127.520 126.663 0.857 19910 904 1 2 . 1 1 67 67 ALA HA H 67 3.597 3.597 4.050 -0.453 19910 905 1 2 . 1 1 67 67 ALA C C 67 178.770 178.770 177.915 0.855 19910 906 1 2 . 1 1 67 67 ALA CA C 67 53.850 53.850 54.459 -0.610 19910 907 1 2 . 1 1 67 67 ALA CB C 67 18.640 18.640 19.323 -0.683 19910 908 1 2 . 1 1 67 67 ALA H H 67 8.460 8.460 8.410 0.050 19910 909 1 2 . 1 1 68 68 ASP N N 68 117.850 117.850 117.976 -0.126 19910 910 1 2 . 1 1 68 68 ASP HA H 68 4.340 4.340 4.366 -0.026 19910 911 1 2 . 1 1 68 68 ASP C C 68 177.780 177.780 177.789 -0.009 19910 912 1 2 . 1 1 68 68 ASP CA C 68 56.760 56.760 56.210 0.550 19910 913 1 2 . 1 1 68 68 ASP CB C 68 40.900 40.900 40.145 0.755 19910 914 1 2 . 1 1 68 68 ASP H H 68 7.980 7.980 8.562 -0.582 19910 915 1 2 . 1 1 69 69 LYS N N 69 115.790 115.790 119.195 -3.405 19910 916 1 2 . 1 1 69 69 LYS HA H 69 4.119 4.119 4.219 -0.100 19910 917 1 2 . 1 1 69 69 LYS C C 69 177.130 177.130 177.048 0.082 19910 918 1 2 . 1 1 69 69 LYS CA C 69 56.150 56.150 56.134 0.016 19910 919 1 2 . 1 1 69 69 LYS CB C 69 34.010 34.010 32.702 1.308 19910 920 1 2 . 1 1 69 69 LYS H H 69 7.390 7.390 7.966 -0.576 19910 921 1 2 . 1 1 70 70 GLY N N 70 110.040 110.040 107.929 2.111 19910 922 1 2 . 1 1 70 70 GLY C C 70 174.040 174.040 173.694 0.346 19910 923 1 2 . 1 1 70 70 GLY CA C 70 46.830 46.830 45.367 1.463 19910 924 1 2 . 1 1 70 70 GLY H H 70 8.030 8.030 7.542 0.488 19910 925 1 2 . 1 1 71 71 ILE N N 71 115.810 115.810 117.427 -1.617 19910 926 1 2 . 1 1 71 71 ILE HA H 71 4.861 4.861 4.478 0.383 19910 927 1 2 . 1 1 71 71 ILE C C 71 175.520 175.520 173.797 1.723 19910 928 1 2 . 1 1 71 71 ILE CA C 71 59.420 59.420 60.245 -0.825 19910 929 1 2 . 1 1 71 71 ILE CB C 71 42.240 42.240 41.062 1.178 19910 930 1 2 . 1 1 71 71 ILE H H 71 6.990 6.990 7.675 -0.685 19910 931 1 2 . 1 1 72 72 PHE N N 72 132.630 132.630 129.381 3.249 19910 932 1 2 . 1 1 72 72 PHE HA H 72 5.377 5.377 5.452 -0.075 19910 933 1 2 . 1 1 72 72 PHE C C 72 173.310 173.310 174.015 -0.705 19910 934 1 2 . 1 1 72 72 PHE CA C 72 56.150 56.150 54.801 1.349 19910 935 1 2 . 1 1 72 72 PHE CB C 72 41.630 41.630 41.101 0.529 19910 936 1 2 . 1 1 72 72 PHE H H 72 9.720 9.720 9.017 0.703 19910 937 1 2 . 1 1 73 73 THR N N 73 124.190 124.190 124.827 -0.637 19910 938 1 2 . 1 1 73 73 THR HA H 73 5.047 5.047 5.188 -0.141 19910 939 1 2 . 1 1 73 73 THR C C 73 172.660 172.660 172.933 -0.273 19910 940 1 2 . 1 1 73 73 THR CA C 73 61.480 61.480 60.484 0.996 19910 941 1 2 . 1 1 73 73 THR CB C 73 69.950 69.950 70.231 -0.281 19910 942 1 2 . 1 1 73 73 THR H H 73 8.610 8.610 9.151 -0.541 19910 943 1 2 . 1 1 74 74 ILE N N 74 125.780 125.780 126.608 -0.828 19910 944 1 2 . 1 1 74 74 ILE HA H 74 4.557 4.557 5.135 -0.578 19910 945 1 2 . 1 1 74 74 ILE C C 74 171.480 171.480 173.744 -2.264 19910 946 1 2 . 1 1 74 74 ILE CA C 74 59.060 59.060 58.863 0.197 19910 947 1 2 . 1 1 74 74 ILE CB C 74 41.510 41.510 41.645 -0.136 19910 948 1 2 . 1 1 74 74 ILE H H 74 8.850 8.850 8.304 0.546 19910 949 1 2 . 1 1 75 75 ARG N N 75 127.330 127.330 128.243 -0.913 19910 950 1 2 . 1 1 75 75 ARG HA H 75 4.859 4.859 4.540 0.319 19910 951 1 2 . 1 1 75 75 ARG C C 75 174.790 174.790 174.795 -0.005 19910 952 1 2 . 1 1 75 75 ARG CA C 75 54.460 54.460 54.754 -0.294 19910 953 1 2 . 1 1 75 75 ARG CB C 75 31.460 31.460 31.058 0.402 19910 954 1 2 . 1 1 75 75 ARG H H 75 8.320 8.320 8.805 -0.485 19910 955 1 2 . 1 1 76 76 LEU N N 76 125.120 125.120 121.932 3.188 19910 956 1 2 . 1 1 76 76 LEU HA H 76 4.819 4.819 4.819 -0.000 19910 957 1 2 . 1 1 76 76 LEU CA C 76 50.530 50.530 51.180 -0.650 19910 958 1 2 . 1 1 76 76 LEU CB C 76 43.070 43.070 43.790 -0.720 19910 959 1 2 . 1 1 76 76 LEU H H 76 9.300 9.300 8.119 1.181 19910 960 1 2 . 1 1 77 77 PRO HA H 77 4.114 4.114 4.694 -0.580 19910 961 1 2 . 1 1 77 77 PRO C C 77 176.430 176.430 176.682 -0.252 19910 962 1 2 . 1 1 77 77 PRO CA C 77 62.080 62.080 62.061 0.019 19910 963 1 2 . 1 1 77 77 PRO CB C 77 31.220 31.220 32.362 -1.142 19910 964 1 2 . 1 1 78 78 LYS N N 78 122.800 122.800 119.836 2.964 19910 965 1 2 . 1 1 78 78 LYS HA H 78 4.062 4.062 4.401 -0.339 19910 966 1 2 . 1 1 78 78 LYS C C 78 176.590 176.590 176.661 -0.071 19910 967 1 2 . 1 1 78 78 LYS CA C 78 57.730 57.730 54.719 3.011 19910 968 1 2 . 1 1 78 78 LYS CB C 78 32.800 32.800 33.425 -0.625 19910 969 1 2 . 1 1 78 78 LYS H H 78 7.790 7.790 7.675 0.115 19910 970 1 2 . 1 1 79 79 GLU N N 79 124.540 124.540 122.726 1.814 19910 971 1 2 . 1 1 79 79 GLU HA H 79 3.689 3.689 4.233 -0.544 19910 972 1 2 . 1 1 79 79 GLU C C 79 176.300 176.300 176.251 0.049 19910 973 1 2 . 1 1 79 79 GLU CA C 79 59.420 59.420 58.011 1.409 19910 974 1 2 . 1 1 79 79 GLU CB C 79 30.500 30.500 30.330 0.170 19910 975 1 2 . 1 1 79 79 GLU H H 79 8.520 8.520 8.731 -0.211 19910 976 1 2 . 1 1 80 80 THR N N 80 115.960 115.960 116.291 -0.331 19910 977 1 2 . 1 1 80 80 THR HA H 80 4.485 4.485 4.747 -0.262 19910 978 1 2 . 1 1 80 80 THR CA C 80 59.120 59.120 60.159 -1.039 19910 979 1 2 . 1 1 80 80 THR CB C 80 69.330 69.330 69.638 -0.308 19910 980 1 2 . 1 1 80 80 THR H H 80 9.070 9.070 7.800 1.270 19910 981 1 2 . 1 1 81 81 PRO HA H 81 4.070 4.070 4.020 0.050 19910 982 1 2 . 1 1 81 81 PRO C C 81 177.860 177.860 178.229 -0.369 19910 983 1 2 . 1 1 81 81 PRO CA C 81 63.900 63.900 63.640 0.260 19910 984 1 2 . 1 1 81 81 PRO CB C 81 31.460 31.460 31.991 -0.531 19910 985 1 2 . 1 1 82 82 GLY N N 82 113.580 113.580 110.232 3.348 19910 986 1 2 . 1 1 82 82 GLY C C 82 174.870 174.870 174.173 0.697 19910 987 1 2 . 1 1 82 82 GLY CA C 82 45.140 45.140 45.025 0.115 19910 988 1 2 . 1 1 82 82 GLY H H 82 9.150 9.150 8.309 0.841 19910 989 1 2 . 1 1 83 83 GLN N N 83 122.820 122.820 120.820 2.000 19910 990 1 2 . 1 1 83 83 GLN HA H 83 4.159 4.159 4.338 -0.179 19910 991 1 2 . 1 1 83 83 GLN C C 83 175.180 175.180 174.955 0.225 19910 992 1 2 . 1 1 83 83 GLN CA C 83 56.390 56.390 55.102 1.288 19910 993 1 2 . 1 1 83 83 GLN CB C 83 29.410 29.410 29.913 -0.503 19910 994 1 2 . 1 1 83 83 GLN H H 83 7.960 7.960 7.461 0.499 19910 995 1 2 . 1 1 84 84 HIS N N 84 131.340 131.340 127.464 3.876 19910 996 1 2 . 1 1 84 84 HIS HA H 84 4.299 4.299 4.751 -0.452 19910 997 1 2 . 1 1 84 84 HIS C C 84 175.300 175.300 173.567 1.733 19910 998 1 2 . 1 1 84 84 HIS CA C 84 56.640 56.640 54.909 1.731 19910 999 1 2 . 1 1 84 84 HIS CB C 84 30.980 30.980 32.254 -1.274 19910 1000 1 2 . 1 1 84 84 HIS H H 84 9.220 9.220 8.671 0.549 19910 1001 1 2 . 1 1 85 85 PHE N N 85 130.320 130.320 127.621 2.699 19910 1002 1 2 . 1 1 85 85 PHE HA H 85 4.722 4.722 4.606 0.116 19910 1003 1 2 . 1 1 85 85 PHE C C 85 174.890 174.890 175.565 -0.675 19910 1004 1 2 . 1 1 85 85 PHE CA C 85 54.580 54.580 55.755 -1.175 19910 1005 1 2 . 1 1 85 85 PHE CB C 85 36.430 36.430 37.056 -0.626 19910 1006 1 2 . 1 1 85 85 PHE H H 85 9.130 9.130 8.620 0.510 19910 1007 1 2 . 1 1 86 86 GLU N N 86 126.010 126.010 124.030 1.980 19910 1008 1 2 . 1 1 86 86 GLU HA H 86 4.199 4.199 4.567 -0.368 19910 1009 1 2 . 1 1 86 86 GLU C C 86 177.000 177.000 177.298 -0.298 19910 1010 1 2 . 1 1 86 86 GLU CA C 86 55.910 55.910 56.843 -0.933 19910 1011 1 2 . 1 1 86 86 GLU CB C 86 30.620 30.620 31.261 -0.641 19910 1012 1 2 . 1 1 86 86 GLU H H 86 8.900 8.900 7.974 0.926 19910 1013 1 2 . 1 1 87 87 GLY N N 87 108.540 108.540 106.482 2.058 19910 1014 1 2 . 1 1 87 87 GLY C C 87 177.370 177.370 174.860 2.510 19910 1015 1 2 . 1 1 87 87 GLY CA C 87 46.590 46.590 46.529 0.061 19910 1016 1 2 . 1 1 87 87 GLY H H 87 8.610 8.610 8.925 -0.315 19910 1017 1 2 . 1 1 88 88 LEU N N 88 119.830 119.830 119.722 0.108 19910 1018 1 2 . 1 1 88 88 LEU HA H 88 3.775 3.775 4.013 -0.238 19910 1019 1 2 . 1 1 88 88 LEU C C 88 177.500 177.500 178.931 -1.431 19910 1020 1 2 . 1 1 88 88 LEU CA C 88 57.850 57.850 57.780 0.070 19910 1021 1 2 . 1 1 88 88 LEU CB C 88 40.780 40.780 42.132 -1.352 19910 1022 1 2 . 1 1 88 88 LEU H H 88 8.370 8.370 7.932 0.438 19910 1023 1 2 . 1 1 89 89 ASN N N 89 112.390 112.390 116.563 -4.173 19910 1024 1 2 . 1 1 89 89 ASN HA H 89 4.524 4.524 4.730 -0.206 19910 1025 1 2 . 1 1 89 89 ASN C C 89 175.440 175.440 175.730 -0.290 19910 1026 1 2 . 1 1 89 89 ASN CA C 89 54.340 54.340 54.487 -0.147 19910 1027 1 2 . 1 1 89 89 ASN CB C 89 37.030 37.030 38.742 -1.712 19910 1028 1 2 . 1 1 89 89 ASN H H 89 8.470 8.470 8.456 0.014 19910 1029 1 2 . 1 1 90 90 MET N N 90 117.460 117.460 117.322 0.138 19910 1030 1 2 . 1 1 90 90 MET HA H 90 4.626 4.626 4.493 0.133 19910 1031 1 2 . 1 1 90 90 MET C C 90 176.040 176.040 175.174 0.866 19910 1032 1 2 . 1 1 90 90 MET CA C 90 54.340 54.340 54.872 -0.532 19910 1033 1 2 . 1 1 90 90 MET CB C 90 32.550 32.550 33.237 -0.687 19910 1034 1 2 . 1 1 90 90 MET H H 90 7.460 7.460 7.807 -0.347 19910 1035 1 2 . 1 1 91 91 LEU N N 91 121.330 121.330 120.363 0.967 19910 1036 1 2 . 1 1 91 91 LEU HA H 91 4.277 4.277 4.593 -0.316 19910 1037 1 2 . 1 1 91 91 LEU C C 91 176.870 176.870 177.382 -0.512 19910 1038 1 2 . 1 1 91 91 LEU CA C 91 56.390 56.390 54.416 1.974 19910 1039 1 2 . 1 1 91 91 LEU CB C 91 42.480 42.480 43.435 -0.955 19910 1040 1 2 . 1 1 91 91 LEU H H 91 7.280 7.280 7.417 -0.137 19910 1041 1 2 . 1 1 92 92 THR N N 92 113.970 113.970 114.470 -0.500 19910 1042 1 2 . 1 1 92 92 THR HA H 92 4.582 4.582 4.540 0.042 19910 1043 1 2 . 1 1 92 92 THR C C 92 173.180 173.180 173.063 0.117 19910 1044 1 2 . 1 1 92 92 THR CA C 92 60.390 60.390 60.722 -0.332 19910 1045 1 2 . 1 1 92 92 THR CB C 92 71.160 71.160 70.173 0.987 19910 1046 1 2 . 1 1 92 92 THR H H 92 8.110 8.110 8.046 0.064 19910 1047 1 2 . 1 1 93 93 ALA N N 93 124.650 124.650 125.916 -1.266 19910 1048 1 2 . 1 1 93 93 ALA HA H 93 4.245 4.245 4.631 -0.386 19910 1049 1 2 . 1 1 93 93 ALA C C 93 177.650 177.650 177.302 0.348 19910 1050 1 2 . 1 1 93 93 ALA CA C 93 52.640 52.640 51.278 1.362 19910 1051 1 2 . 1 1 93 93 ALA CB C 93 19.670 19.670 19.321 0.349 19910 1052 1 2 . 1 1 93 93 ALA H H 93 8.430 8.430 8.327 0.103 19910 1053 1 2 . 1 1 94 94 LEU N N 94 123.150 123.150 123.903 -0.753 19910 1054 1 2 . 1 1 94 94 LEU HA H 94 4.450 4.450 4.678 -0.228 19910 1055 1 2 . 1 1 94 94 LEU C C 94 177.420 177.420 176.070 1.350 19910 1056 1 2 . 1 1 94 94 LEU CA C 94 54.940 54.940 54.087 0.853 19910 1057 1 2 . 1 1 94 94 LEU CB C 94 42.480 42.480 41.737 0.743 19910 1058 1 2 . 1 1 94 94 LEU H H 94 8.450 8.450 8.533 -0.083 19910 1059 1 2 . 1 1 95 95 LEU N N 95 124.390 124.390 124.504 -0.114 19910 1060 1 2 . 1 1 95 95 LEU HA H 95 4.409 4.409 4.561 -0.152 19910 1061 1 2 . 1 1 95 95 LEU C C 95 175.990 175.990 177.103 -1.113 19910 1062 1 2 . 1 1 95 95 LEU CA C 95 55.060 55.060 54.732 0.328 19910 1063 1 2 . 1 1 95 95 LEU CB C 95 42.360 42.360 42.677 -0.317 19910 1064 1 2 . 1 1 95 95 LEU H H 95 8.380 8.380 8.522 -0.142 19910 1065 1 3 . 1 1 2 2 LEU N N 2 123.170 123.170 124.147 -0.977 19910 1066 1 3 . 1 1 2 2 LEU HA H 2 4.588 4.588 4.737 -0.149 19910 1067 1 3 . 1 1 2 2 LEU C C 2 176.260 176.260 177.383 -1.123 19910 1068 1 3 . 1 1 2 2 LEU CA C 2 53.730 53.730 54.371 -0.641 19910 1069 1 3 . 1 1 2 2 LEU CB C 2 44.290 44.290 41.194 3.096 19910 1070 1 3 . 1 1 2 2 LEU H H 2 8.690 8.690 8.229 0.461 19910 1071 1 3 . 1 1 3 3 THR N N 3 120.960 120.960 118.310 2.650 19910 1072 1 3 . 1 1 3 3 THR HA H 3 5.193 5.193 4.205 0.988 19910 1073 1 3 . 1 1 3 3 THR CA C 3 59.990 59.990 61.327 -1.337 19910 1074 1 3 . 1 1 3 3 THR CB C 3 69.950 69.950 68.718 1.232 19910 1075 1 3 . 1 1 3 3 THR H H 3 8.850 8.850 8.220 0.630 19910 1076 1 3 . 1 1 4 4 PRO HA H 4 4.718 4.718 4.350 0.368 19910 1077 1 3 . 1 1 4 4 PRO C C 4 175.870 175.870 176.118 -0.248 19910 1078 1 3 . 1 1 4 4 PRO CA C 4 62.080 62.080 62.875 -0.795 19910 1079 1 3 . 1 1 4 4 PRO CB C 4 31.950 31.950 32.311 -0.361 19910 1080 1 3 . 1 1 5 5 ALA N N 5 122.560 122.560 123.169 -0.609 19910 1081 1 3 . 1 1 5 5 ALA HA H 5 4.348 4.348 4.518 -0.170 19910 1082 1 3 . 1 1 5 5 ALA C C 5 176.360 176.360 177.135 -0.775 19910 1083 1 3 . 1 1 5 5 ALA CA C 5 52.280 52.280 50.978 1.302 19910 1084 1 3 . 1 1 5 5 ALA CB C 5 18.880 18.880 18.462 0.418 19910 1085 1 3 . 1 1 5 5 ALA H H 5 8.400 8.400 8.368 0.032 19910 1086 1 3 . 1 1 6 6 PHE N N 6 115.160 115.160 119.317 -4.157 19910 1087 1 3 . 1 1 6 6 PHE HA H 6 5.537 5.537 4.606 0.931 19910 1088 1 3 . 1 1 6 6 PHE C C 6 172.590 172.590 174.762 -2.172 19910 1089 1 3 . 1 1 6 6 PHE CA C 6 55.430 55.430 57.287 -1.857 19910 1090 1 3 . 1 1 6 6 PHE CB C 6 42.240 42.240 39.539 2.701 19910 1091 1 3 . 1 1 6 6 PHE H H 6 7.740 7.740 7.618 0.122 19910 1092 1 3 . 1 1 7 7 ASP N N 7 118.960 118.960 120.895 -1.935 19910 1093 1 3 . 1 1 7 7 ASP HA H 7 4.813 4.813 4.854 -0.041 19910 1094 1 3 . 1 1 7 7 ASP C C 7 174.530 174.530 174.212 0.318 19910 1095 1 3 . 1 1 7 7 ASP CA C 7 53.370 53.370 53.636 -0.266 19910 1096 1 3 . 1 1 7 7 ASP CB C 7 45.380 45.380 44.837 0.543 19910 1097 1 3 . 1 1 7 7 ASP H H 7 8.910 8.910 8.909 0.001 19910 1098 1 3 . 1 1 8 8 LEU N N 8 123.470 123.470 122.480 0.990 19910 1099 1 3 . 1 1 8 8 LEU HA H 8 5.284 5.284 4.708 0.576 19910 1100 1 3 . 1 1 8 8 LEU C C 8 175.420 175.420 175.890 -0.470 19910 1101 1 3 . 1 1 8 8 LEU CA C 8 53.850 53.850 53.699 0.151 19910 1102 1 3 . 1 1 8 8 LEU CB C 8 45.620 45.620 44.284 1.336 19910 1103 1 3 . 1 1 8 8 LEU H H 8 8.750 8.750 8.384 0.366 19910 1104 1 3 . 1 1 9 9 SER N N 9 115.920 115.920 118.275 -2.355 19910 1105 1 3 . 1 1 9 9 SER HA H 9 4.486 4.486 4.757 -0.271 19910 1106 1 3 . 1 1 9 9 SER C C 9 171.680 171.680 172.725 -1.045 19910 1107 1 3 . 1 1 9 9 SER CA C 9 57.000 57.000 56.881 0.119 19910 1108 1 3 . 1 1 9 9 SER CB C 9 65.590 65.590 65.406 0.184 19910 1109 1 3 . 1 1 9 9 SER H H 9 8.860 8.860 8.492 0.368 19910 1110 1 3 . 1 1 10 10 GLN N N 10 115.230 115.230 124.114 -8.884 19910 1111 1 3 . 1 1 10 10 GLN HA H 10 5.375 5.375 4.456 0.919 19910 1112 1 3 . 1 1 10 10 GLN C C 10 172.130 172.130 173.297 -1.167 19910 1113 1 3 . 1 1 10 10 GLN CA C 10 54.270 54.270 54.476 -0.206 19910 1114 1 3 . 1 1 10 10 GLN CB C 10 32.990 32.990 31.578 1.411 19910 1115 1 3 . 1 1 10 10 GLN H H 10 8.800 8.800 8.378 0.422 19910 1116 1 3 . 1 1 11 11 ASP N N 11 124.270 124.270 123.604 0.666 19910 1117 1 3 . 1 1 11 11 ASP HA H 11 4.768 4.768 5.263 -0.495 19910 1118 1 3 . 1 1 11 11 ASP CA C 11 52.530 52.530 51.304 1.226 19910 1119 1 3 . 1 1 11 11 ASP CB C 11 42.200 42.200 43.209 -1.009 19910 1120 1 3 . 1 1 11 11 ASP H H 11 8.680 8.680 8.743 -0.063 19910 1121 1 3 . 1 1 12 12 PRO HA H 12 4.050 4.050 4.635 -0.585 19910 1122 1 3 . 1 1 12 12 PRO C C 12 175.290 175.290 176.072 -0.782 19910 1123 1 3 . 1 1 12 12 PRO CA C 12 66.920 66.920 64.282 2.638 19910 1124 1 3 . 1 1 12 12 PRO CB C 12 31.950 31.950 32.123 -0.173 19910 1125 1 3 . 1 1 13 13 ASP N N 13 110.550 110.550 114.769 -4.219 19910 1126 1 3 . 1 1 13 13 ASP HA H 13 4.632 4.632 4.577 0.055 19910 1127 1 3 . 1 1 13 13 ASP C C 13 176.480 176.480 174.038 2.442 19910 1128 1 3 . 1 1 13 13 ASP CA C 13 54.940 54.940 53.859 1.081 19910 1129 1 3 . 1 1 13 13 ASP CB C 13 44.410 44.410 42.111 2.299 19910 1130 1 3 . 1 1 13 13 ASP H H 13 7.990 7.990 8.500 -0.510 19910 1131 1 3 . 1 1 14 14 PHE N N 14 118.880 118.880 116.089 2.791 19910 1132 1 3 . 1 1 14 14 PHE HA H 14 5.049 5.049 5.006 0.043 19910 1133 1 3 . 1 1 14 14 PHE C C 14 174.690 174.690 173.110 1.580 19910 1134 1 3 . 1 1 14 14 PHE CA C 14 57.600 57.600 57.333 0.267 19910 1135 1 3 . 1 1 14 14 PHE CB C 14 42.960 42.960 42.873 0.087 19910 1136 1 3 . 1 1 14 14 PHE H H 14 8.390 8.390 7.773 0.617 19910 1137 1 3 . 1 1 15 15 LEU N N 15 123.990 123.990 121.827 2.163 19910 1138 1 3 . 1 1 15 15 LEU HA H 15 4.613 4.613 4.677 -0.064 19910 1139 1 3 . 1 1 15 15 LEU C C 15 174.780 174.780 174.851 -0.071 19910 1140 1 3 . 1 1 15 15 LEU CA C 15 53.250 53.250 54.327 -1.077 19910 1141 1 3 . 1 1 15 15 LEU CB C 15 45.020 45.020 44.546 0.474 19910 1142 1 3 . 1 1 15 15 LEU H H 15 9.200 9.200 8.967 0.233 19910 1143 1 3 . 1 1 16 16 THR N N 16 122.960 122.960 124.075 -1.115 19910 1144 1 3 . 1 1 16 16 THR HA H 16 4.849 4.849 5.034 -0.185 19910 1145 1 3 . 1 1 16 16 THR C C 16 172.810 172.810 173.507 -0.697 19910 1146 1 3 . 1 1 16 16 THR CA C 16 62.690 62.690 61.881 0.809 19910 1147 1 3 . 1 1 16 16 THR CB C 16 69.340 69.340 70.692 -1.352 19910 1148 1 3 . 1 1 16 16 THR H H 16 9.000 9.000 8.617 0.383 19910 1149 1 3 . 1 1 17 17 ILE N N 17 126.630 126.630 124.639 1.991 19910 1150 1 3 . 1 1 17 17 ILE HA H 17 4.439 4.439 4.214 0.225 19910 1151 1 3 . 1 1 17 17 ILE C C 17 172.580 172.580 173.646 -1.066 19910 1152 1 3 . 1 1 17 17 ILE CA C 17 60.030 60.030 59.452 0.578 19910 1153 1 3 . 1 1 17 17 ILE CB C 17 39.450 39.450 40.676 -1.226 19910 1154 1 3 . 1 1 17 17 ILE H H 17 8.680 8.680 8.277 0.403 19910 1155 1 3 . 1 1 18 18 ALA N N 18 130.190 130.190 126.484 3.706 19910 1156 1 3 . 1 1 18 18 ALA HA H 18 5.215 5.215 5.395 -0.180 19910 1157 1 3 . 1 1 18 18 ALA C C 18 176.660 176.660 175.813 0.847 19910 1158 1 3 . 1 1 18 18 ALA CA C 18 49.980 49.980 50.448 -0.468 19910 1159 1 3 . 1 1 18 18 ALA CB C 18 20.570 20.570 21.803 -1.233 19910 1160 1 3 . 1 1 18 18 ALA H H 18 8.490 8.490 8.427 0.063 19910 1161 1 3 . 1 1 19 19 ILE N N 19 124.920 124.920 122.637 2.283 19910 1162 1 3 . 1 1 19 19 ILE HA H 19 4.307 4.307 4.605 -0.298 19910 1163 1 3 . 1 1 19 19 ILE C C 19 174.710 174.710 174.599 0.111 19910 1164 1 3 . 1 1 19 19 ILE CA C 19 60.990 60.990 60.126 0.864 19910 1165 1 3 . 1 1 19 19 ILE CB C 19 40.900 40.900 41.540 -0.640 19910 1166 1 3 . 1 1 19 19 ILE H H 19 9.590 9.590 8.564 1.026 19910 1167 1 3 . 1 1 20 20 ARG N N 20 128.960 128.960 128.823 0.137 19910 1168 1 3 . 1 1 20 20 ARG HA H 20 4.642 4.642 4.948 -0.306 19910 1169 1 3 . 1 1 20 20 ARG C C 20 174.890 174.890 174.571 0.319 19910 1170 1 3 . 1 1 20 20 ARG CA C 20 56.030 56.030 55.069 0.961 19910 1171 1 3 . 1 1 20 20 ARG CB C 20 29.530 29.530 31.375 -1.845 19910 1172 1 3 . 1 1 20 20 ARG H H 20 8.600 8.600 8.756 -0.156 19910 1173 1 3 . 1 1 21 21 VAL N N 21 120.400 120.400 120.387 0.013 19910 1174 1 3 . 1 1 21 21 VAL HA H 21 4.010 4.010 4.647 -0.637 19910 1175 1 3 . 1 1 21 21 VAL C C 21 174.950 174.950 174.409 0.541 19910 1176 1 3 . 1 1 21 21 VAL CA C 21 59.420 59.420 61.236 -1.816 19910 1177 1 3 . 1 1 21 21 VAL CB C 21 33.280 33.280 35.300 -2.020 19910 1178 1 3 . 1 1 21 21 VAL H H 21 8.020 8.020 8.554 -0.534 19910 1179 1 3 . 1 1 22 22 SER N N 22 118.050 118.050 120.108 -2.058 19910 1180 1 3 . 1 1 22 22 SER HA H 22 4.540 4.540 4.702 -0.162 19910 1181 1 3 . 1 1 22 22 SER C C 22 174.110 174.110 175.528 -1.418 19910 1182 1 3 . 1 1 22 22 SER CA C 22 59.540 59.540 59.176 0.364 19910 1183 1 3 . 1 1 22 22 SER CB C 22 63.600 63.600 64.057 -0.457 19910 1184 1 3 . 1 1 22 22 SER H H 22 7.770 7.770 8.889 -1.119 19910 1185 1 3 . 1 1 23 23 TYR N N 23 120.870 120.870 120.539 0.331 19910 1186 1 3 . 1 1 23 23 TYR HA H 23 4.493 4.493 4.425 0.068 19910 1187 1 3 . 1 1 23 23 TYR C C 23 175.310 175.310 175.347 -0.037 19910 1188 1 3 . 1 1 23 23 TYR CA C 23 58.210 58.210 58.479 -0.269 19910 1189 1 3 . 1 1 23 23 TYR CB C 23 37.880 37.880 38.538 -0.657 19910 1190 1 3 . 1 1 23 23 TYR H H 23 8.300 8.300 8.246 0.054 19910 1191 1 3 . 1 1 24 24 ALA N N 24 122.670 122.670 121.400 1.270 19910 1192 1 3 . 1 1 24 24 ALA HA H 24 4.303 4.303 4.089 0.214 19910 1193 1 3 . 1 1 24 24 ALA C C 24 177.160 177.160 177.373 -0.213 19910 1194 1 3 . 1 1 24 24 ALA CA C 24 52.520 52.520 53.288 -0.768 19910 1195 1 3 . 1 1 24 24 ALA CB C 24 19.730 19.730 19.094 0.636 19910 1196 1 3 . 1 1 24 24 ALA H H 24 7.910 7.910 8.117 -0.207 19910 1197 1 3 . 1 1 25 25 ARG N N 25 119.060 119.060 124.318 -5.258 19910 1198 1 3 . 1 1 25 25 ARG HA H 25 4.346 4.346 4.324 0.022 19910 1199 1 3 . 1 1 25 25 ARG C C 25 175.830 175.830 176.057 -0.227 19910 1200 1 3 . 1 1 25 25 ARG CA C 25 55.550 55.550 57.027 -1.477 19910 1201 1 3 . 1 1 25 25 ARG CB C 25 30.500 30.500 31.242 -0.742 19910 1202 1 3 . 1 1 25 25 ARG H H 25 8.220 8.220 8.443 -0.223 19910 1203 1 3 . 1 1 26 26 VAL N N 26 118.660 118.660 119.337 -0.677 19910 1204 1 3 . 1 1 26 26 VAL HA H 26 3.454 3.454 3.986 -0.532 19910 1205 1 3 . 1 1 26 26 VAL C C 26 175.700 175.700 175.948 -0.248 19910 1206 1 3 . 1 1 26 26 VAL CA C 26 61.960 61.960 63.457 -1.497 19910 1207 1 3 . 1 1 26 26 VAL CB C 26 32.800 32.800 31.637 1.163 19910 1208 1 3 . 1 1 26 26 VAL H H 26 7.650 7.650 7.672 -0.022 19910 1209 1 3 . 1 1 27 27 SER N N 27 116.090 116.090 118.936 -2.846 19910 1210 1 3 . 1 1 27 27 SER HA H 27 4.183 4.183 4.227 -0.044 19910 1211 1 3 . 1 1 27 27 SER C C 27 173.750 173.750 173.938 -0.188 19910 1212 1 3 . 1 1 27 27 SER CA C 27 58.570 58.570 60.144 -1.573 19910 1213 1 3 . 1 1 27 27 SER CB C 27 63.530 63.530 63.469 0.061 19910 1214 1 3 . 1 1 27 27 SER H H 27 8.180 8.180 8.736 -0.556 19910 1215 1 3 . 1 1 28 28 GLU N N 28 120.070 120.070 118.527 1.543 19910 1216 1 3 . 1 1 28 28 GLU HA H 28 4.203 4.203 4.006 0.197 19910 1217 1 3 . 1 1 28 28 GLU C C 28 174.790 174.790 175.195 -0.405 19910 1218 1 3 . 1 1 28 28 GLU CA C 28 55.550 55.550 55.116 0.434 19910 1219 1 3 . 1 1 28 28 GLU CB C 28 30.620 30.620 31.119 -0.499 19910 1220 1 3 . 1 1 28 28 GLU H H 28 7.400 7.400 7.736 -0.336 19910 1221 1 3 . 1 1 29 29 PHE N N 29 120.340 120.340 119.000 1.340 19910 1222 1 3 . 1 1 29 29 PHE HA H 29 4.487 4.487 5.006 -0.519 19910 1223 1 3 . 1 1 29 29 PHE C C 29 174.580 174.580 175.767 -1.187 19910 1224 1 3 . 1 1 29 29 PHE CA C 29 55.790 55.790 54.852 0.938 19910 1225 1 3 . 1 1 29 29 PHE CB C 29 39.690 39.690 40.516 -0.826 19910 1226 1 3 . 1 1 29 29 PHE H H 29 7.820 7.820 7.799 0.021 19910 1227 1 3 . 1 1 30 30 ASP N N 30 123.670 123.670 121.693 1.977 19910 1228 1 3 . 1 1 30 30 ASP HA H 30 4.817 4.817 5.070 -0.253 19910 1229 1 3 . 1 1 30 30 ASP C C 30 174.040 174.040 174.408 -0.368 19910 1230 1 3 . 1 1 30 30 ASP CA C 30 53.850 53.850 53.428 0.422 19910 1231 1 3 . 1 1 30 30 ASP CB C 30 43.450 43.450 44.350 -0.900 19910 1232 1 3 . 1 1 30 30 ASP H H 30 8.420 8.420 8.851 -0.431 19910 1233 1 3 . 1 1 31 31 VAL N N 31 123.010 123.010 123.743 -0.733 19910 1234 1 3 . 1 1 31 31 VAL HA H 31 4.768 4.768 4.574 0.194 19910 1235 1 3 . 1 1 31 31 VAL C C 31 173.980 173.980 174.736 -0.756 19910 1236 1 3 . 1 1 31 31 VAL CA C 31 60.510 60.510 61.435 -0.926 19910 1237 1 3 . 1 1 31 31 VAL CB C 31 34.730 34.730 33.414 1.316 19910 1238 1 3 . 1 1 31 31 VAL H H 31 8.270 8.270 8.608 -0.338 19910 1239 1 3 . 1 1 32 32 TYR N N 32 127.340 127.340 127.414 -0.074 19910 1240 1 3 . 1 1 32 32 TYR HA H 32 4.624 4.624 4.738 -0.114 19910 1241 1 3 . 1 1 32 32 TYR C C 32 172.990 172.990 173.863 -0.873 19910 1242 1 3 . 1 1 32 32 TYR CA C 32 56.520 56.520 57.212 -0.693 19910 1243 1 3 . 1 1 32 32 TYR CB C 32 41.870 41.870 41.875 -0.005 19910 1244 1 3 . 1 1 32 32 TYR H H 32 8.920 8.920 9.044 -0.124 19910 1245 1 3 . 1 1 33 33 PHE N N 33 121.160 121.160 120.332 0.828 19910 1246 1 3 . 1 1 33 33 PHE HA H 33 5.106 5.106 5.955 -0.849 19910 1247 1 3 . 1 1 33 33 PHE C C 33 173.100 173.100 174.467 -1.367 19910 1248 1 3 . 1 1 33 33 PHE CA C 33 55.310 55.310 54.886 0.424 19910 1249 1 3 . 1 1 33 33 PHE CB C 33 40.420 40.420 42.524 -2.104 19910 1250 1 3 . 1 1 33 33 PHE H H 33 7.510 7.510 8.314 -0.804 19910 1251 1 3 . 1 1 34 34 GLU N N 34 120.460 120.460 121.126 -0.666 19910 1252 1 3 . 1 1 34 34 GLU HA H 34 4.099 4.099 4.985 -0.886 19910 1253 1 3 . 1 1 34 34 GLU C C 34 175.700 175.700 177.060 -1.360 19910 1254 1 3 . 1 1 34 34 GLU CA C 34 56.640 56.640 55.181 1.459 19910 1255 1 3 . 1 1 34 34 GLU CB C 34 31.340 31.340 30.912 0.428 19910 1256 1 3 . 1 1 34 34 GLU H H 34 8.190 8.190 8.442 -0.252 19910 1257 1 3 . 1 1 35 35 GLY N N 35 117.400 117.400 115.749 1.651 19910 1258 1 3 . 1 1 35 35 GLY C C 35 173.120 173.120 174.880 -1.760 19910 1259 1 3 . 1 1 35 35 GLY CA C 35 47.680 47.680 47.381 0.299 19910 1260 1 3 . 1 1 35 35 GLY H H 35 9.240 9.240 8.607 0.633 19910 1261 1 3 . 1 1 36 36 SER N N 36 122.510 122.510 116.644 5.866 19910 1262 1 3 . 1 1 36 36 SER HA H 36 4.795 4.795 4.655 0.140 19910 1263 1 3 . 1 1 36 36 SER C C 36 172.680 172.680 172.226 0.454 19910 1264 1 3 . 1 1 36 36 SER CA C 36 57.360 57.360 58.140 -0.780 19910 1265 1 3 . 1 1 36 36 SER CB C 36 64.500 64.500 65.233 -0.733 19910 1266 1 3 . 1 1 36 36 SER H H 36 8.930 8.930 8.723 0.207 19910 1267 1 3 . 1 1 37 37 ASP N N 37 123.120 123.120 124.084 -0.964 19910 1268 1 3 . 1 1 37 37 ASP HA H 37 5.192 5.192 5.172 0.020 19910 1269 1 3 . 1 1 37 37 ASP C C 37 174.170 174.170 174.373 -0.203 19910 1270 1 3 . 1 1 37 37 ASP CA C 37 54.340 54.340 53.672 0.668 19910 1271 1 3 . 1 1 37 37 ASP CB C 37 43.810 43.810 41.791 2.019 19910 1272 1 3 . 1 1 37 37 ASP H H 37 8.600 8.600 8.195 0.405 19910 1273 1 3 . 1 1 38 38 PHE N N 38 122.850 122.850 127.120 -4.270 19910 1274 1 3 . 1 1 38 38 PHE HA H 38 5.053 5.053 5.334 -0.281 19910 1275 1 3 . 1 1 38 38 PHE C C 38 172.810 172.810 173.532 -0.722 19910 1276 1 3 . 1 1 38 38 PHE CA C 38 57.000 57.000 56.887 0.113 19910 1277 1 3 . 1 1 38 38 PHE CB C 38 43.080 43.080 41.401 1.679 19910 1278 1 3 . 1 1 38 38 PHE H H 38 8.340 8.340 9.312 -0.972 19910 1279 1 3 . 1 1 39 39 LYS N N 39 126.630 126.630 129.460 -2.830 19910 1280 1 3 . 1 1 39 39 LYS HA H 39 4.816 4.816 5.134 -0.318 19910 1281 1 3 . 1 1 39 39 LYS C C 39 172.540 172.540 174.531 -1.991 19910 1282 1 3 . 1 1 39 39 LYS CA C 39 54.890 54.890 54.455 0.435 19910 1283 1 3 . 1 1 39 39 LYS CB C 39 36.790 36.790 34.492 2.298 19910 1284 1 3 . 1 1 39 39 LYS H H 39 8.690 8.690 9.100 -0.410 19910 1285 1 3 . 1 1 40 40 PHE N N 40 123.910 123.910 125.992 -2.082 19910 1286 1 3 . 1 1 40 40 PHE HA H 40 4.923 4.923 5.146 -0.223 19910 1287 1 3 . 1 1 40 40 PHE C C 40 171.900 171.900 173.547 -1.647 19910 1288 1 3 . 1 1 40 40 PHE CA C 40 55.910 55.910 54.815 1.095 19910 1289 1 3 . 1 1 40 40 PHE CB C 40 43.450 43.450 42.883 0.567 19910 1290 1 3 . 1 1 40 40 PHE H H 40 8.750 8.750 9.172 -0.422 19910 1291 1 3 . 1 1 41 41 TYR N N 41 126.490 126.490 125.238 1.252 19910 1292 1 3 . 1 1 41 41 TYR HA H 41 4.958 4.958 4.567 0.391 19910 1293 1 3 . 1 1 41 41 TYR C C 41 173.070 173.070 173.438 -0.368 19910 1294 1 3 . 1 1 41 41 TYR CA C 41 55.670 55.670 55.832 -0.162 19910 1295 1 3 . 1 1 41 41 TYR CB C 41 41.510 41.510 40.289 1.221 19910 1296 1 3 . 1 1 41 41 TYR H H 41 8.450 8.450 8.610 -0.160 19910 1297 1 3 . 1 1 42 42 ALA N N 42 129.720 129.720 125.862 3.858 19910 1298 1 3 . 1 1 42 42 ALA HA H 42 4.024 4.024 4.849 -0.825 19910 1299 1 3 . 1 1 42 42 ALA C C 42 174.350 174.350 175.469 -1.119 19910 1300 1 3 . 1 1 42 42 ALA CA C 42 51.190 51.190 51.123 0.067 19910 1301 1 3 . 1 1 42 42 ALA CB C 42 20.330 20.330 20.647 -0.317 19910 1302 1 3 . 1 1 42 42 ALA H H 42 7.970 7.970 8.423 -0.453 19910 1303 1 3 . 1 1 43 43 LYS N N 43 124.250 124.250 122.006 2.244 19910 1304 1 3 . 1 1 43 43 LYS HA H 43 3.634 3.634 3.847 -0.213 19910 1305 1 3 . 1 1 43 43 LYS CA C 43 56.260 56.260 57.344 -1.084 19910 1306 1 3 . 1 1 43 43 LYS CB C 43 32.860 32.860 29.296 3.564 19910 1307 1 3 . 1 1 43 43 LYS H H 43 7.850 7.850 8.230 -0.380 19910 1308 1 3 . 1 1 44 44 PRO HA H 44 4.487 4.487 4.159 0.328 19910 1309 1 3 . 1 1 44 44 PRO C C 44 173.980 173.980 176.799 -2.819 19910 1310 1 3 . 1 1 44 44 PRO CA C 44 64.380 64.380 64.606 -0.226 19910 1311 1 3 . 1 1 44 44 PRO CB C 44 34.010 34.010 31.657 2.353 19910 1312 1 3 . 1 1 45 45 TYR N N 45 126.840 126.840 116.630 10.210 19910 1313 1 3 . 1 1 45 45 TYR HA H 45 5.274 5.274 4.431 0.843 19910 1314 1 3 . 1 1 45 45 TYR C C 45 175.290 175.290 174.637 0.653 19910 1315 1 3 . 1 1 45 45 TYR CA C 45 58.330 58.330 56.999 1.331 19910 1316 1 3 . 1 1 45 45 TYR CB C 45 40.300 40.300 37.543 2.757 19910 1317 1 3 . 1 1 45 45 TYR H H 45 9.360 9.360 7.481 1.879 19910 1318 1 3 . 1 1 46 46 PHE N N 46 121.470 121.470 125.309 -3.839 19910 1319 1 3 . 1 1 46 46 PHE HA H 46 5.422 5.422 5.085 0.337 19910 1320 1 3 . 1 1 46 46 PHE C C 46 173.180 173.180 173.637 -0.457 19910 1321 1 3 . 1 1 46 46 PHE CA C 46 56.520 56.520 55.485 1.035 19910 1322 1 3 . 1 1 46 46 PHE CB C 46 43.930 43.930 42.124 1.806 19910 1323 1 3 . 1 1 46 46 PHE H H 46 8.870 8.870 8.646 0.224 19910 1324 1 3 . 1 1 47 47 LEU N N 47 129.700 129.700 130.065 -0.365 19910 1325 1 3 . 1 1 47 47 LEU HA H 47 4.565 4.565 4.416 0.149 19910 1326 1 3 . 1 1 47 47 LEU C C 47 171.770 171.770 174.511 -2.741 19910 1327 1 3 . 1 1 47 47 LEU CA C 47 53.130 53.130 53.810 -0.680 19910 1328 1 3 . 1 1 47 47 LEU CB C 47 47.560 47.560 45.524 2.036 19910 1329 1 3 . 1 1 47 47 LEU H H 47 8.850 8.850 8.911 -0.061 19910 1330 1 3 . 1 1 48 48 ARG N N 48 127.760 127.760 127.149 0.611 19910 1331 1 3 . 1 1 48 48 ARG HA H 48 5.283 5.283 4.984 0.299 19910 1332 1 3 . 1 1 48 48 ARG C C 48 174.090 174.090 174.582 -0.492 19910 1333 1 3 . 1 1 48 48 ARG CA C 48 54.100 54.100 55.001 -0.901 19910 1334 1 3 . 1 1 48 48 ARG CB C 48 33.160 33.160 31.416 1.744 19910 1335 1 3 . 1 1 48 48 ARG H H 48 8.620 8.620 8.299 0.321 19910 1336 1 3 . 1 1 49 49 LEU N N 49 122.890 122.890 129.048 -6.158 19910 1337 1 3 . 1 1 49 49 LEU HA H 49 4.855 4.855 4.791 0.064 19910 1338 1 3 . 1 1 49 49 LEU C C 49 175.880 175.880 175.715 0.165 19910 1339 1 3 . 1 1 49 49 LEU CA C 49 52.880 52.880 53.981 -1.101 19910 1340 1 3 . 1 1 49 49 LEU CB C 49 47.800 47.800 45.610 2.190 19910 1341 1 3 . 1 1 49 49 LEU H H 49 8.970 8.970 9.304 -0.334 19910 1342 1 3 . 1 1 50 50 THR N N 50 118.610 118.610 120.444 -1.834 19910 1343 1 3 . 1 1 50 50 THR HA H 50 4.862 4.862 4.694 0.168 19910 1344 1 3 . 1 1 50 50 THR C C 50 174.610 174.610 174.544 0.066 19910 1345 1 3 . 1 1 50 50 THR CA C 50 61.110 61.110 61.961 -0.851 19910 1346 1 3 . 1 1 50 50 THR CB C 50 69.220 69.220 68.636 0.584 19910 1347 1 3 . 1 1 50 50 THR H H 50 8.670 8.670 8.561 0.109 19910 1348 1 3 . 1 1 51 51 LEU N N 51 126.300 126.300 129.063 -2.763 19910 1349 1 3 . 1 1 51 51 LEU HA H 51 4.302 4.302 4.309 -0.007 19910 1350 1 3 . 1 1 51 51 LEU CA C 51 52.650 52.650 53.603 -0.953 19910 1351 1 3 . 1 1 51 51 LEU CB C 51 41.950 41.950 41.130 0.820 19910 1352 1 3 . 1 1 51 51 LEU H H 51 9.540 9.540 8.439 1.101 19910 1353 1 3 . 1 1 52 52 PRO HA H 52 4.401 4.401 4.207 0.194 19910 1354 1 3 . 1 1 52 52 PRO C C 52 174.240 174.240 176.643 -2.403 19910 1355 1 3 . 1 1 52 52 PRO CA C 52 62.690 62.690 63.893 -1.203 19910 1356 1 3 . 1 1 52 52 PRO CB C 52 30.620 30.620 32.029 -1.409 19910 1357 1 3 . 1 1 53 53 GLY N N 53 105.990 105.990 104.816 1.174 19910 1358 1 3 . 1 1 53 53 GLY C C 53 170.520 170.520 172.559 -2.039 19910 1359 1 3 . 1 1 53 53 GLY CA C 53 43.450 43.450 42.836 0.614 19910 1360 1 3 . 1 1 53 53 GLY H H 53 6.550 6.550 6.546 0.004 19910 1361 1 3 . 1 1 54 54 ARG N N 54 115.660 115.660 119.314 -3.654 19910 1362 1 3 . 1 1 54 54 ARG HA H 54 4.347 4.347 5.324 -0.977 19910 1363 1 3 . 1 1 54 54 ARG C C 54 176.940 176.940 175.082 1.858 19910 1364 1 3 . 1 1 54 54 ARG CA C 54 55.890 55.890 55.002 0.888 19910 1365 1 3 . 1 1 54 54 ARG CB C 54 32.310 32.310 33.907 -1.597 19910 1366 1 3 . 1 1 54 54 ARG H H 54 8.210 8.210 8.387 -0.177 19910 1367 1 3 . 1 1 55 55 ILE N N 55 118.910 118.910 125.669 -6.759 19910 1368 1 3 . 1 1 55 55 ILE HA H 55 5.003 5.003 4.724 0.279 19910 1369 1 3 . 1 1 55 55 ILE C C 55 175.310 175.310 175.003 0.307 19910 1370 1 3 . 1 1 55 55 ILE CA C 55 58.500 58.500 58.720 -0.220 19910 1371 1 3 . 1 1 55 55 ILE CB C 55 40.950 40.950 39.145 1.804 19910 1372 1 3 . 1 1 55 55 ILE H H 55 8.640 8.640 9.100 -0.460 19910 1373 1 3 . 1 1 56 56 VAL N N 56 118.140 118.140 126.825 -8.685 19910 1374 1 3 . 1 1 56 56 VAL HA H 56 4.438 4.438 4.034 0.404 19910 1375 1 3 . 1 1 56 56 VAL C C 56 172.920 172.920 175.436 -2.516 19910 1376 1 3 . 1 1 56 56 VAL CA C 56 60.510 60.510 62.715 -2.205 19910 1377 1 3 . 1 1 56 56 VAL CB C 56 34.850 34.850 33.081 1.769 19910 1378 1 3 . 1 1 56 56 VAL H H 56 8.330 8.330 7.937 0.393 19910 1379 1 3 . 1 1 57 57 GLU N N 57 123.300 123.300 125.795 -2.495 19910 1380 1 3 . 1 1 57 57 GLU HA H 57 4.358 4.358 4.831 -0.473 19910 1381 1 3 . 1 1 57 57 GLU C C 57 176.350 176.350 175.324 1.026 19910 1382 1 3 . 1 1 57 57 GLU CA C 57 55.890 55.890 55.751 0.139 19910 1383 1 3 . 1 1 57 57 GLU CB C 57 29.880 29.880 30.950 -1.070 19910 1384 1 3 . 1 1 57 57 GLU H H 57 8.380 8.380 8.639 -0.259 19910 1385 1 3 . 1 1 58 58 ASN N N 58 121.570 121.570 121.290 0.280 19910 1386 1 3 . 1 1 58 58 ASN HA H 58 4.764 4.764 4.851 -0.087 19910 1387 1 3 . 1 1 58 58 ASN C C 58 176.120 176.120 175.313 0.807 19910 1388 1 3 . 1 1 58 58 ASN CA C 58 52.760 52.760 53.487 -0.727 19910 1389 1 3 . 1 1 58 58 ASN CB C 58 38.970 38.970 39.576 -0.606 19910 1390 1 3 . 1 1 58 58 ASN H H 58 8.360 8.360 9.039 -0.679 19910 1391 1 3 . 1 1 59 59 GLY N N 59 112.050 112.050 108.672 3.378 19910 1392 1 3 . 1 1 59 59 GLY C C 59 174.840 174.840 174.496 0.344 19910 1393 1 3 . 1 1 59 59 GLY CA C 59 45.380 45.380 45.267 0.113 19910 1394 1 3 . 1 1 59 59 GLY H H 59 9.350 9.350 8.431 0.919 19910 1395 1 3 . 1 1 60 60 SER N N 60 115.430 115.430 116.549 -1.119 19910 1396 1 3 . 1 1 60 60 SER HA H 60 4.536 4.536 4.733 -0.197 19910 1397 1 3 . 1 1 60 60 SER C C 60 174.140 174.140 174.396 -0.256 19910 1398 1 3 . 1 1 60 60 SER CA C 60 58.810 58.810 57.678 1.132 19910 1399 1 3 . 1 1 60 60 SER CB C 60 64.140 64.140 63.300 0.840 19910 1400 1 3 . 1 1 60 60 SER H H 60 8.350 8.350 8.417 -0.067 19910 1401 1 3 . 1 1 61 61 GLU N N 61 122.950 122.950 120.053 2.897 19910 1402 1 3 . 1 1 61 61 GLU HA H 61 4.525 4.525 4.496 0.029 19910 1403 1 3 . 1 1 61 61 GLU C C 61 175.550 175.550 175.487 0.063 19910 1404 1 3 . 1 1 61 61 GLU CA C 61 56.520 56.520 55.441 1.079 19910 1405 1 3 . 1 1 61 61 GLU CB C 61 29.530 29.530 30.339 -0.809 19910 1406 1 3 . 1 1 61 61 GLU H H 61 8.910 8.910 7.848 1.062 19910 1407 1 3 . 1 1 62 62 GLN N N 62 120.280 120.280 118.665 1.615 19910 1408 1 3 . 1 1 62 62 GLN HA H 62 4.601 4.601 4.587 0.014 19910 1409 1 3 . 1 1 62 62 GLN C C 62 175.700 175.700 174.449 1.251 19910 1410 1 3 . 1 1 62 62 GLN CA C 62 55.430 55.430 55.166 0.264 19910 1411 1 3 . 1 1 62 62 GLN CB C 62 31.340 31.340 32.311 -0.971 19910 1412 1 3 . 1 1 62 62 GLN H H 62 8.310 8.310 8.287 0.023 19910 1413 1 3 . 1 1 63 63 GLY N N 63 111.400 111.400 110.008 1.392 19910 1414 1 3 . 1 1 63 63 GLY C C 63 172.550 172.550 173.225 -0.675 19910 1415 1 3 . 1 1 63 63 GLY CA C 63 44.690 44.690 44.475 0.215 19910 1416 1 3 . 1 1 63 63 GLY H H 63 8.880 8.880 8.521 0.359 19910 1417 1 3 . 1 1 64 64 SER N N 64 115.080 115.080 120.765 -5.685 19910 1418 1 3 . 1 1 64 64 SER HA H 64 4.629 4.629 4.870 -0.241 19910 1419 1 3 . 1 1 64 64 SER C C 64 171.770 171.770 173.118 -1.348 19910 1420 1 3 . 1 1 64 64 SER CA C 64 57.120 57.120 58.323 -1.203 19910 1421 1 3 . 1 1 64 64 SER CB C 64 65.230 65.230 64.892 0.338 19910 1422 1 3 . 1 1 64 64 SER H H 64 8.280 8.280 8.517 -0.237 19910 1423 1 3 . 1 1 65 65 TYR N N 65 124.640 124.640 129.087 -4.447 19910 1424 1 3 . 1 1 65 65 TYR HA H 65 5.198 5.198 5.446 -0.248 19910 1425 1 3 . 1 1 65 65 TYR C C 65 173.640 173.640 174.459 -0.819 19910 1426 1 3 . 1 1 65 65 TYR CA C 65 55.670 55.670 56.730 -1.060 19910 1427 1 3 . 1 1 65 65 TYR CB C 65 40.900 40.900 40.792 0.108 19910 1428 1 3 . 1 1 65 65 TYR H H 65 8.980 8.980 8.742 0.238 19910 1429 1 3 . 1 1 66 66 ASP N N 66 128.570 128.570 125.717 2.853 19910 1430 1 3 . 1 1 66 66 ASP HA H 66 4.532 4.532 4.645 -0.113 19910 1431 1 3 . 1 1 66 66 ASP C C 66 175.340 175.340 174.560 0.780 19910 1432 1 3 . 1 1 66 66 ASP CA C 66 51.800 51.800 52.151 -0.351 19910 1433 1 3 . 1 1 66 66 ASP CB C 66 41.510 41.510 42.664 -1.154 19910 1434 1 3 . 1 1 66 66 ASP H H 66 8.000 8.000 8.065 -0.065 19910 1435 1 3 . 1 1 67 67 ALA N N 67 127.520 127.520 130.333 -2.813 19910 1436 1 3 . 1 1 67 67 ALA HA H 67 3.597 3.597 4.037 -0.440 19910 1437 1 3 . 1 1 67 67 ALA C C 67 178.770 178.770 179.086 -0.316 19910 1438 1 3 . 1 1 67 67 ALA CA C 67 53.850 53.850 54.445 -0.595 19910 1439 1 3 . 1 1 67 67 ALA CB C 67 18.640 18.640 18.710 -0.070 19910 1440 1 3 . 1 1 67 67 ALA H H 67 8.460 8.460 8.569 -0.109 19910 1441 1 3 . 1 1 68 68 ASP N N 68 117.850 117.850 118.576 -0.726 19910 1442 1 3 . 1 1 68 68 ASP HA H 68 4.340 4.340 4.435 -0.095 19910 1443 1 3 . 1 1 68 68 ASP C C 68 177.780 177.780 177.827 -0.047 19910 1444 1 3 . 1 1 68 68 ASP CA C 68 56.760 56.760 56.247 0.513 19910 1445 1 3 . 1 1 68 68 ASP CB C 68 40.900 40.900 40.965 -0.065 19910 1446 1 3 . 1 1 68 68 ASP H H 68 7.980 7.980 8.225 -0.245 19910 1447 1 3 . 1 1 69 69 LYS N N 69 115.790 115.790 118.006 -2.216 19910 1448 1 3 . 1 1 69 69 LYS HA H 69 4.119 4.119 4.290 -0.171 19910 1449 1 3 . 1 1 69 69 LYS C C 69 177.130 177.130 176.978 0.152 19910 1450 1 3 . 1 1 69 69 LYS CA C 69 56.150 56.150 56.393 -0.243 19910 1451 1 3 . 1 1 69 69 LYS CB C 69 34.010 34.010 33.550 0.460 19910 1452 1 3 . 1 1 69 69 LYS H H 69 7.390 7.390 8.039 -0.649 19910 1453 1 3 . 1 1 70 70 GLY N N 70 110.040 110.040 108.721 1.319 19910 1454 1 3 . 1 1 70 70 GLY C C 70 174.040 174.040 173.453 0.587 19910 1455 1 3 . 1 1 70 70 GLY CA C 70 46.830 46.830 45.502 1.328 19910 1456 1 3 . 1 1 70 70 GLY H H 70 8.030 8.030 7.932 0.098 19910 1457 1 3 . 1 1 71 71 ILE N N 71 115.810 115.810 119.997 -4.187 19910 1458 1 3 . 1 1 71 71 ILE HA H 71 4.861 4.861 4.707 0.154 19910 1459 1 3 . 1 1 71 71 ILE C C 71 175.520 175.520 174.168 1.352 19910 1460 1 3 . 1 1 71 71 ILE CA C 71 59.420 59.420 60.799 -1.379 19910 1461 1 3 . 1 1 71 71 ILE CB C 71 42.240 42.240 41.311 0.929 19910 1462 1 3 . 1 1 71 71 ILE H H 71 6.990 6.990 8.070 -1.080 19910 1463 1 3 . 1 1 72 72 PHE N N 72 132.630 132.630 130.068 2.562 19910 1464 1 3 . 1 1 72 72 PHE HA H 72 5.377 5.377 5.248 0.129 19910 1465 1 3 . 1 1 72 72 PHE C C 72 173.310 173.310 173.983 -0.673 19910 1466 1 3 . 1 1 72 72 PHE CA C 72 56.150 56.150 55.672 0.478 19910 1467 1 3 . 1 1 72 72 PHE CB C 72 41.630 41.630 40.865 0.765 19910 1468 1 3 . 1 1 72 72 PHE H H 72 9.720 9.720 9.539 0.181 19910 1469 1 3 . 1 1 73 73 THR N N 73 124.190 124.190 126.381 -2.191 19910 1470 1 3 . 1 1 73 73 THR HA H 73 5.047 5.047 5.085 -0.038 19910 1471 1 3 . 1 1 73 73 THR C C 73 172.660 172.660 172.491 0.169 19910 1472 1 3 . 1 1 73 73 THR CA C 73 61.480 61.480 61.777 -0.297 19910 1473 1 3 . 1 1 73 73 THR CB C 73 69.950 69.950 70.266 -0.316 19910 1474 1 3 . 1 1 73 73 THR H H 73 8.610 8.610 8.610 -0.000 19910 1475 1 3 . 1 1 74 74 ILE N N 74 125.780 125.780 127.900 -2.120 19910 1476 1 3 . 1 1 74 74 ILE HA H 74 4.557 4.557 5.002 -0.445 19910 1477 1 3 . 1 1 74 74 ILE C C 74 171.480 171.480 173.351 -1.871 19910 1478 1 3 . 1 1 74 74 ILE CA C 74 59.060 59.060 58.886 0.174 19910 1479 1 3 . 1 1 74 74 ILE CB C 74 41.510 41.510 41.804 -0.294 19910 1480 1 3 . 1 1 74 74 ILE H H 74 8.850 8.850 8.271 0.579 19910 1481 1 3 . 1 1 75 75 ARG N N 75 127.330 127.330 127.919 -0.589 19910 1482 1 3 . 1 1 75 75 ARG HA H 75 4.859 4.859 4.556 0.303 19910 1483 1 3 . 1 1 75 75 ARG C C 75 174.790 174.790 175.182 -0.392 19910 1484 1 3 . 1 1 75 75 ARG CA C 75 54.460 54.460 55.235 -0.775 19910 1485 1 3 . 1 1 75 75 ARG CB C 75 31.460 31.460 31.405 0.055 19910 1486 1 3 . 1 1 75 75 ARG H H 75 8.320 8.320 8.654 -0.334 19910 1487 1 3 . 1 1 76 76 LEU N N 76 125.120 125.120 121.471 3.649 19910 1488 1 3 . 1 1 76 76 LEU HA H 76 4.819 4.819 4.948 -0.129 19910 1489 1 3 . 1 1 76 76 LEU CA C 76 50.530 50.530 51.495 -0.965 19910 1490 1 3 . 1 1 76 76 LEU CB C 76 43.070 43.070 44.284 -1.214 19910 1491 1 3 . 1 1 76 76 LEU H H 76 9.300 9.300 7.934 1.366 19910 1492 1 3 . 1 1 77 77 PRO HA H 77 4.114 4.114 5.019 -0.905 19910 1493 1 3 . 1 1 77 77 PRO C C 77 176.430 176.430 176.436 -0.006 19910 1494 1 3 . 1 1 77 77 PRO CA C 77 62.080 62.080 61.327 0.754 19910 1495 1 3 . 1 1 77 77 PRO CB C 77 31.220 31.220 32.748 -1.528 19910 1496 1 3 . 1 1 78 78 LYS N N 78 122.800 122.800 119.443 3.357 19910 1497 1 3 . 1 1 78 78 LYS HA H 78 4.062 4.062 4.620 -0.558 19910 1498 1 3 . 1 1 78 78 LYS C C 78 176.590 176.590 176.366 0.224 19910 1499 1 3 . 1 1 78 78 LYS CA C 78 57.730 57.730 55.041 2.689 19910 1500 1 3 . 1 1 78 78 LYS CB C 78 32.800 32.800 34.209 -1.409 19910 1501 1 3 . 1 1 78 78 LYS H H 78 7.790 7.790 7.858 -0.068 19910 1502 1 3 . 1 1 79 79 GLU N N 79 124.540 124.540 122.695 1.845 19910 1503 1 3 . 1 1 79 79 GLU HA H 79 3.689 3.689 4.328 -0.639 19910 1504 1 3 . 1 1 79 79 GLU C C 79 176.300 176.300 176.454 -0.154 19910 1505 1 3 . 1 1 79 79 GLU CA C 79 59.420 59.420 57.484 1.936 19910 1506 1 3 . 1 1 79 79 GLU CB C 79 30.500 30.500 30.377 0.123 19910 1507 1 3 . 1 1 79 79 GLU H H 79 8.520 8.520 8.738 -0.218 19910 1508 1 3 . 1 1 80 80 THR N N 80 115.960 115.960 116.381 -0.421 19910 1509 1 3 . 1 1 80 80 THR HA H 80 4.485 4.485 4.699 -0.214 19910 1510 1 3 . 1 1 80 80 THR CA C 80 59.120 59.120 60.424 -1.304 19910 1511 1 3 . 1 1 80 80 THR CB C 80 69.330 69.330 69.193 0.137 19910 1512 1 3 . 1 1 80 80 THR H H 80 9.070 9.070 7.826 1.244 19910 1513 1 3 . 1 1 81 81 PRO HA H 81 4.070 4.070 3.969 0.101 19910 1514 1 3 . 1 1 81 81 PRO C C 81 177.860 177.860 178.235 -0.375 19910 1515 1 3 . 1 1 81 81 PRO CA C 81 63.900 63.900 63.694 0.206 19910 1516 1 3 . 1 1 81 81 PRO CB C 81 31.460 31.460 32.018 -0.558 19910 1517 1 3 . 1 1 82 82 GLY N N 82 113.580 113.580 109.083 4.497 19910 1518 1 3 . 1 1 82 82 GLY C C 82 174.870 174.870 174.365 0.505 19910 1519 1 3 . 1 1 82 82 GLY CA C 82 45.140 45.140 44.989 0.151 19910 1520 1 3 . 1 1 82 82 GLY H H 82 9.150 9.150 8.522 0.628 19910 1521 1 3 . 1 1 83 83 GLN N N 83 122.820 122.820 120.463 2.357 19910 1522 1 3 . 1 1 83 83 GLN HA H 83 4.159 4.159 4.389 -0.230 19910 1523 1 3 . 1 1 83 83 GLN C C 83 175.180 175.180 175.139 0.041 19910 1524 1 3 . 1 1 83 83 GLN CA C 83 56.390 56.390 55.059 1.331 19910 1525 1 3 . 1 1 83 83 GLN CB C 83 29.410 29.410 29.881 -0.471 19910 1526 1 3 . 1 1 83 83 GLN H H 83 7.960 7.960 7.436 0.524 19910 1527 1 3 . 1 1 84 84 HIS N N 84 131.340 131.340 125.171 6.169 19910 1528 1 3 . 1 1 84 84 HIS HA H 84 4.299 4.299 4.637 -0.338 19910 1529 1 3 . 1 1 84 84 HIS C C 84 175.300 175.300 174.236 1.064 19910 1530 1 3 . 1 1 84 84 HIS CA C 84 56.640 56.640 54.744 1.896 19910 1531 1 3 . 1 1 84 84 HIS CB C 84 30.980 30.980 31.898 -0.918 19910 1532 1 3 . 1 1 84 84 HIS H H 84 9.220 9.220 8.608 0.612 19910 1533 1 3 . 1 1 85 85 PHE N N 85 130.320 130.320 125.617 4.703 19910 1534 1 3 . 1 1 85 85 PHE HA H 85 4.722 4.722 4.469 0.253 19910 1535 1 3 . 1 1 85 85 PHE C C 85 174.890 174.890 175.642 -0.752 19910 1536 1 3 . 1 1 85 85 PHE CA C 85 54.580 54.580 55.481 -0.901 19910 1537 1 3 . 1 1 85 85 PHE CB C 85 36.430 36.430 37.479 -1.049 19910 1538 1 3 . 1 1 85 85 PHE H H 85 9.130 9.130 8.537 0.593 19910 1539 1 3 . 1 1 86 86 GLU N N 86 126.010 126.010 123.917 2.093 19910 1540 1 3 . 1 1 86 86 GLU HA H 86 4.199 4.199 4.385 -0.186 19910 1541 1 3 . 1 1 86 86 GLU C C 86 177.000 177.000 177.472 -0.472 19910 1542 1 3 . 1 1 86 86 GLU CA C 86 55.910 55.910 56.655 -0.745 19910 1543 1 3 . 1 1 86 86 GLU CB C 86 30.620 30.620 31.470 -0.850 19910 1544 1 3 . 1 1 86 86 GLU H H 86 8.900 8.900 7.876 1.024 19910 1545 1 3 . 1 1 87 87 GLY N N 87 108.540 108.540 106.588 1.952 19910 1546 1 3 . 1 1 87 87 GLY C C 87 177.370 177.370 174.858 2.512 19910 1547 1 3 . 1 1 87 87 GLY CA C 87 46.590 46.590 46.557 0.033 19910 1548 1 3 . 1 1 87 87 GLY H H 87 8.610 8.610 8.891 -0.281 19910 1549 1 3 . 1 1 88 88 LEU N N 88 119.830 119.830 119.465 0.365 19910 1550 1 3 . 1 1 88 88 LEU HA H 88 3.775 3.775 3.985 -0.210 19910 1551 1 3 . 1 1 88 88 LEU C C 88 177.500 177.500 178.698 -1.198 19910 1552 1 3 . 1 1 88 88 LEU CA C 88 57.850 57.850 57.688 0.162 19910 1553 1 3 . 1 1 88 88 LEU CB C 88 40.780 40.780 42.081 -1.301 19910 1554 1 3 . 1 1 88 88 LEU H H 88 8.370 8.370 7.834 0.536 19910 1555 1 3 . 1 1 89 89 ASN N N 89 112.390 112.390 116.288 -3.898 19910 1556 1 3 . 1 1 89 89 ASN HA H 89 4.524 4.524 4.731 -0.207 19910 1557 1 3 . 1 1 89 89 ASN C C 89 175.440 175.440 175.292 0.148 19910 1558 1 3 . 1 1 89 89 ASN CA C 89 54.340 54.340 54.363 -0.023 19910 1559 1 3 . 1 1 89 89 ASN CB C 89 37.030 37.030 38.143 -1.113 19910 1560 1 3 . 1 1 89 89 ASN H H 89 8.470 8.470 8.325 0.145 19910 1561 1 3 . 1 1 90 90 MET N N 90 117.460 117.460 116.373 1.087 19910 1562 1 3 . 1 1 90 90 MET HA H 90 4.626 4.626 4.515 0.111 19910 1563 1 3 . 1 1 90 90 MET C C 90 176.040 176.040 175.244 0.796 19910 1564 1 3 . 1 1 90 90 MET CA C 90 54.340 54.340 54.450 -0.110 19910 1565 1 3 . 1 1 90 90 MET CB C 90 32.550 32.550 33.232 -0.682 19910 1566 1 3 . 1 1 90 90 MET H H 90 7.460 7.460 7.763 -0.303 19910 1567 1 3 . 1 1 91 91 LEU N N 91 121.330 121.330 121.366 -0.036 19910 1568 1 3 . 1 1 91 91 LEU HA H 91 4.277 4.277 4.565 -0.288 19910 1569 1 3 . 1 1 91 91 LEU C C 91 176.870 176.870 176.974 -0.104 19910 1570 1 3 . 1 1 91 91 LEU CA C 91 56.390 56.390 54.657 1.733 19910 1571 1 3 . 1 1 91 91 LEU CB C 91 42.480 42.480 43.195 -0.715 19910 1572 1 3 . 1 1 91 91 LEU H H 91 7.280 7.280 7.551 -0.271 19910 1573 1 3 . 1 1 92 92 THR N N 92 113.970 113.970 113.672 0.298 19910 1574 1 3 . 1 1 92 92 THR HA H 92 4.582 4.582 4.512 0.070 19910 1575 1 3 . 1 1 92 92 THR C C 92 173.180 173.180 173.072 0.108 19910 1576 1 3 . 1 1 92 92 THR CA C 92 60.390 60.390 60.813 -0.423 19910 1577 1 3 . 1 1 92 92 THR CB C 92 71.160 71.160 70.580 0.580 19910 1578 1 3 . 1 1 92 92 THR H H 92 8.110 8.110 8.042 0.068 19910 1579 1 3 . 1 1 93 93 ALA N N 93 124.650 124.650 124.373 0.277 19910 1580 1 3 . 1 1 93 93 ALA HA H 93 4.245 4.245 4.780 -0.535 19910 1581 1 3 . 1 1 93 93 ALA C C 93 177.650 177.650 176.954 0.696 19910 1582 1 3 . 1 1 93 93 ALA CA C 93 52.640 52.640 51.671 0.969 19910 1583 1 3 . 1 1 93 93 ALA CB C 93 19.670 19.670 19.418 0.252 19910 1584 1 3 . 1 1 93 93 ALA H H 93 8.430 8.430 8.271 0.159 19910 1585 1 3 . 1 1 94 94 LEU N N 94 123.150 123.150 121.429 1.721 19910 1586 1 3 . 1 1 94 94 LEU HA H 94 4.450 4.450 4.745 -0.295 19910 1587 1 3 . 1 1 94 94 LEU C C 94 177.420 177.420 176.284 1.136 19910 1588 1 3 . 1 1 94 94 LEU CA C 94 54.940 54.940 54.743 0.197 19910 1589 1 3 . 1 1 94 94 LEU CB C 94 42.480 42.480 43.082 -0.602 19910 1590 1 3 . 1 1 94 94 LEU H H 94 8.450 8.450 8.265 0.185 19910 1591 1 3 . 1 1 95 95 LEU N N 95 124.390 124.390 126.404 -2.014 19910 1592 1 3 . 1 1 95 95 LEU HA H 95 4.409 4.409 4.719 -0.310 19910 1593 1 3 . 1 1 95 95 LEU C C 95 175.990 175.990 177.087 -1.097 19910 1594 1 3 . 1 1 95 95 LEU CA C 95 55.060 55.060 54.696 0.364 19910 1595 1 3 . 1 1 95 95 LEU CB C 95 42.360 42.360 41.272 1.088 19910 1596 1 3 . 1 1 95 95 LEU H H 95 8.380 8.380 8.593 -0.213 19910 1597 1 4 . 1 1 2 2 LEU N N 2 123.170 123.170 122.308 0.862 19910 1598 1 4 . 1 1 2 2 LEU HA H 2 4.588 4.588 4.745 -0.157 19910 1599 1 4 . 1 1 2 2 LEU C C 2 176.260 176.260 176.281 -0.021 19910 1600 1 4 . 1 1 2 2 LEU CA C 2 53.730 53.730 54.642 -0.913 19910 1601 1 4 . 1 1 2 2 LEU CB C 2 44.290 44.290 42.470 1.820 19910 1602 1 4 . 1 1 2 2 LEU H H 2 8.690 8.690 7.891 0.799 19910 1603 1 4 . 1 1 3 3 THR N N 3 120.960 120.960 119.101 1.859 19910 1604 1 4 . 1 1 3 3 THR HA H 3 5.193 5.193 4.182 1.011 19910 1605 1 4 . 1 1 3 3 THR CA C 3 59.990 59.990 61.348 -1.358 19910 1606 1 4 . 1 1 3 3 THR CB C 3 69.950 69.950 68.502 1.448 19910 1607 1 4 . 1 1 3 3 THR H H 3 8.850 8.850 8.285 0.565 19910 1608 1 4 . 1 1 4 4 PRO HA H 4 4.718 4.718 4.400 0.318 19910 1609 1 4 . 1 1 4 4 PRO C C 4 175.870 175.870 176.731 -0.861 19910 1610 1 4 . 1 1 4 4 PRO CA C 4 62.080 62.080 62.551 -0.471 19910 1611 1 4 . 1 1 4 4 PRO CB C 4 31.950 31.950 32.326 -0.376 19910 1612 1 4 . 1 1 5 5 ALA N N 5 122.560 122.560 127.822 -5.262 19910 1613 1 4 . 1 1 5 5 ALA HA H 5 4.348 4.348 4.402 -0.054 19910 1614 1 4 . 1 1 5 5 ALA C C 5 176.360 176.360 176.240 0.120 19910 1615 1 4 . 1 1 5 5 ALA CA C 5 52.280 52.280 50.661 1.619 19910 1616 1 4 . 1 1 5 5 ALA CB C 5 18.880 18.880 17.571 1.309 19910 1617 1 4 . 1 1 5 5 ALA H H 5 8.400 8.400 8.638 -0.238 19910 1618 1 4 . 1 1 6 6 PHE N N 6 115.160 115.160 119.007 -3.847 19910 1619 1 4 . 1 1 6 6 PHE HA H 6 5.537 5.537 4.521 1.016 19910 1620 1 4 . 1 1 6 6 PHE C C 6 172.590 172.590 174.506 -1.916 19910 1621 1 4 . 1 1 6 6 PHE CA C 6 55.430 55.430 56.934 -1.504 19910 1622 1 4 . 1 1 6 6 PHE CB C 6 42.240 42.240 39.610 2.630 19910 1623 1 4 . 1 1 6 6 PHE H H 6 7.740 7.740 7.561 0.179 19910 1624 1 4 . 1 1 7 7 ASP N N 7 118.960 118.960 118.269 0.691 19910 1625 1 4 . 1 1 7 7 ASP HA H 7 4.813 4.813 4.897 -0.084 19910 1626 1 4 . 1 1 7 7 ASP C C 7 174.530 174.530 173.884 0.646 19910 1627 1 4 . 1 1 7 7 ASP CA C 7 53.370 53.370 53.745 -0.375 19910 1628 1 4 . 1 1 7 7 ASP CB C 7 45.380 45.380 45.188 0.192 19910 1629 1 4 . 1 1 7 7 ASP H H 7 8.910 8.910 8.880 0.030 19910 1630 1 4 . 1 1 8 8 LEU N N 8 123.470 123.470 119.757 3.713 19910 1631 1 4 . 1 1 8 8 LEU HA H 8 5.284 5.284 4.611 0.673 19910 1632 1 4 . 1 1 8 8 LEU C C 8 175.420 175.420 175.775 -0.355 19910 1633 1 4 . 1 1 8 8 LEU CA C 8 53.850 53.850 53.871 -0.021 19910 1634 1 4 . 1 1 8 8 LEU CB C 8 45.620 45.620 45.193 0.427 19910 1635 1 4 . 1 1 8 8 LEU H H 8 8.750 8.750 8.342 0.408 19910 1636 1 4 . 1 1 9 9 SER N N 9 115.920 115.920 117.643 -1.723 19910 1637 1 4 . 1 1 9 9 SER HA H 9 4.486 4.486 4.781 -0.295 19910 1638 1 4 . 1 1 9 9 SER C C 9 171.680 171.680 172.954 -1.274 19910 1639 1 4 . 1 1 9 9 SER CA C 9 57.000 57.000 56.855 0.145 19910 1640 1 4 . 1 1 9 9 SER CB C 9 65.590 65.590 65.043 0.547 19910 1641 1 4 . 1 1 9 9 SER H H 9 8.860 8.860 8.640 0.220 19910 1642 1 4 . 1 1 10 10 GLN N N 10 115.230 115.230 123.795 -8.565 19910 1643 1 4 . 1 1 10 10 GLN HA H 10 5.375 5.375 4.376 0.999 19910 1644 1 4 . 1 1 10 10 GLN C C 10 172.130 172.130 174.023 -1.893 19910 1645 1 4 . 1 1 10 10 GLN CA C 10 54.270 54.270 54.749 -0.479 19910 1646 1 4 . 1 1 10 10 GLN CB C 10 32.990 32.990 31.527 1.463 19910 1647 1 4 . 1 1 10 10 GLN H H 10 8.800 8.800 8.453 0.347 19910 1648 1 4 . 1 1 11 11 ASP N N 11 124.270 124.270 122.923 1.347 19910 1649 1 4 . 1 1 11 11 ASP HA H 11 4.768 4.768 4.928 -0.160 19910 1650 1 4 . 1 1 11 11 ASP CA C 11 52.530 52.530 51.188 1.342 19910 1651 1 4 . 1 1 11 11 ASP CB C 11 42.200 42.200 42.802 -0.602 19910 1652 1 4 . 1 1 11 11 ASP H H 11 8.680 8.680 8.653 0.027 19910 1653 1 4 . 1 1 12 12 PRO HA H 12 4.050 4.050 4.365 -0.315 19910 1654 1 4 . 1 1 12 12 PRO C C 12 175.290 175.290 175.732 -0.442 19910 1655 1 4 . 1 1 12 12 PRO CA C 12 66.920 66.920 64.367 2.553 19910 1656 1 4 . 1 1 12 12 PRO CB C 12 31.950 31.950 32.174 -0.224 19910 1657 1 4 . 1 1 13 13 ASP N N 13 110.550 110.550 114.798 -4.248 19910 1658 1 4 . 1 1 13 13 ASP HA H 13 4.632 4.632 4.597 0.035 19910 1659 1 4 . 1 1 13 13 ASP C C 13 176.480 176.480 174.299 2.181 19910 1660 1 4 . 1 1 13 13 ASP CA C 13 54.940 54.940 53.755 1.185 19910 1661 1 4 . 1 1 13 13 ASP CB C 13 44.410 44.410 42.227 2.183 19910 1662 1 4 . 1 1 13 13 ASP H H 13 7.990 7.990 8.421 -0.431 19910 1663 1 4 . 1 1 14 14 PHE N N 14 118.880 118.880 116.234 2.646 19910 1664 1 4 . 1 1 14 14 PHE HA H 14 5.049 5.049 4.863 0.186 19910 1665 1 4 . 1 1 14 14 PHE C C 14 174.690 174.690 173.063 1.627 19910 1666 1 4 . 1 1 14 14 PHE CA C 14 57.600 57.600 57.349 0.251 19910 1667 1 4 . 1 1 14 14 PHE CB C 14 42.960 42.960 43.051 -0.091 19910 1668 1 4 . 1 1 14 14 PHE H H 14 8.390 8.390 7.809 0.581 19910 1669 1 4 . 1 1 15 15 LEU N N 15 123.990 123.990 121.216 2.774 19910 1670 1 4 . 1 1 15 15 LEU HA H 15 4.613 4.613 4.674 -0.061 19910 1671 1 4 . 1 1 15 15 LEU C C 15 174.780 174.780 174.613 0.167 19910 1672 1 4 . 1 1 15 15 LEU CA C 15 53.250 53.250 54.261 -1.012 19910 1673 1 4 . 1 1 15 15 LEU CB C 15 45.020 45.020 45.041 -0.021 19910 1674 1 4 . 1 1 15 15 LEU H H 15 9.200 9.200 9.116 0.084 19910 1675 1 4 . 1 1 16 16 THR N N 16 122.960 122.960 123.260 -0.300 19910 1676 1 4 . 1 1 16 16 THR HA H 16 4.849 4.849 5.001 -0.152 19910 1677 1 4 . 1 1 16 16 THR C C 16 172.810 172.810 173.627 -0.817 19910 1678 1 4 . 1 1 16 16 THR CA C 16 62.690 62.690 61.380 1.310 19910 1679 1 4 . 1 1 16 16 THR CB C 16 69.340 69.340 71.397 -2.057 19910 1680 1 4 . 1 1 16 16 THR H H 16 9.000 9.000 8.879 0.121 19910 1681 1 4 . 1 1 17 17 ILE N N 17 126.630 126.630 122.141 4.489 19910 1682 1 4 . 1 1 17 17 ILE HA H 17 4.439 4.439 4.181 0.258 19910 1683 1 4 . 1 1 17 17 ILE C C 17 172.580 172.580 173.293 -0.713 19910 1684 1 4 . 1 1 17 17 ILE CA C 17 60.030 60.030 59.554 0.476 19910 1685 1 4 . 1 1 17 17 ILE CB C 17 39.450 39.450 41.598 -2.148 19910 1686 1 4 . 1 1 17 17 ILE H H 17 8.680 8.680 8.103 0.577 19910 1687 1 4 . 1 1 18 18 ALA N N 18 130.190 130.190 125.823 4.367 19910 1688 1 4 . 1 1 18 18 ALA HA H 18 5.215 5.215 5.430 -0.215 19910 1689 1 4 . 1 1 18 18 ALA C C 18 176.660 176.660 175.599 1.061 19910 1690 1 4 . 1 1 18 18 ALA CA C 18 49.980 49.980 50.319 -0.339 19910 1691 1 4 . 1 1 18 18 ALA CB C 18 20.570 20.570 21.990 -1.420 19910 1692 1 4 . 1 1 18 18 ALA H H 18 8.490 8.490 8.482 0.008 19910 1693 1 4 . 1 1 19 19 ILE N N 19 124.920 124.920 122.927 1.993 19910 1694 1 4 . 1 1 19 19 ILE HA H 19 4.307 4.307 4.560 -0.253 19910 1695 1 4 . 1 1 19 19 ILE C C 19 174.710 174.710 174.552 0.158 19910 1696 1 4 . 1 1 19 19 ILE CA C 19 60.990 60.990 59.974 1.016 19910 1697 1 4 . 1 1 19 19 ILE CB C 19 40.900 40.900 41.150 -0.250 19910 1698 1 4 . 1 1 19 19 ILE H H 19 9.590 9.590 8.372 1.218 19910 1699 1 4 . 1 1 20 20 ARG N N 20 128.960 128.960 128.343 0.617 19910 1700 1 4 . 1 1 20 20 ARG HA H 20 4.642 4.642 4.926 -0.284 19910 1701 1 4 . 1 1 20 20 ARG C C 20 174.890 174.890 174.735 0.155 19910 1702 1 4 . 1 1 20 20 ARG CA C 20 56.030 56.030 53.780 2.250 19910 1703 1 4 . 1 1 20 20 ARG CB C 20 29.530 29.530 29.893 -0.363 19910 1704 1 4 . 1 1 20 20 ARG H H 20 8.600 8.600 8.767 -0.167 19910 1705 1 4 . 1 1 21 21 VAL N N 21 120.400 120.400 118.507 1.893 19910 1706 1 4 . 1 1 21 21 VAL HA H 21 4.010 4.010 4.636 -0.626 19910 1707 1 4 . 1 1 21 21 VAL C C 21 174.950 174.950 175.459 -0.509 19910 1708 1 4 . 1 1 21 21 VAL CA C 21 59.420 59.420 61.565 -2.145 19910 1709 1 4 . 1 1 21 21 VAL CB C 21 33.280 33.280 35.254 -1.974 19910 1710 1 4 . 1 1 21 21 VAL H H 21 8.020 8.020 8.305 -0.285 19910 1711 1 4 . 1 1 22 22 SER N N 22 118.050 118.050 120.370 -2.320 19910 1712 1 4 . 1 1 22 22 SER HA H 22 4.540 4.540 4.650 -0.110 19910 1713 1 4 . 1 1 22 22 SER C C 22 174.110 174.110 175.330 -1.220 19910 1714 1 4 . 1 1 22 22 SER CA C 22 59.540 59.540 59.352 0.188 19910 1715 1 4 . 1 1 22 22 SER CB C 22 63.600 63.600 63.963 -0.363 19910 1716 1 4 . 1 1 22 22 SER H H 22 7.770 7.770 8.754 -0.984 19910 1717 1 4 . 1 1 23 23 TYR N N 23 120.870 120.870 120.178 0.692 19910 1718 1 4 . 1 1 23 23 TYR HA H 23 4.493 4.493 4.454 0.039 19910 1719 1 4 . 1 1 23 23 TYR C C 23 175.310 175.310 174.744 0.566 19910 1720 1 4 . 1 1 23 23 TYR CA C 23 58.210 58.210 58.500 -0.290 19910 1721 1 4 . 1 1 23 23 TYR CB C 23 37.880 37.880 38.013 -0.133 19910 1722 1 4 . 1 1 23 23 TYR H H 23 8.300 8.300 8.379 -0.079 19910 1723 1 4 . 1 1 24 24 ALA N N 24 122.670 122.670 122.267 0.403 19910 1724 1 4 . 1 1 24 24 ALA HA H 24 4.303 4.303 4.049 0.254 19910 1725 1 4 . 1 1 24 24 ALA C C 24 177.160 177.160 177.811 -0.651 19910 1726 1 4 . 1 1 24 24 ALA CA C 24 52.520 52.520 53.206 -0.686 19910 1727 1 4 . 1 1 24 24 ALA CB C 24 19.730 19.730 18.492 1.238 19910 1728 1 4 . 1 1 24 24 ALA H H 24 7.910 7.910 7.939 -0.029 19910 1729 1 4 . 1 1 25 25 ARG N N 25 119.060 119.060 122.629 -3.569 19910 1730 1 4 . 1 1 25 25 ARG HA H 25 4.346 4.346 4.127 0.219 19910 1731 1 4 . 1 1 25 25 ARG C C 25 175.830 175.830 176.795 -0.965 19910 1732 1 4 . 1 1 25 25 ARG CA C 25 55.550 55.550 57.608 -2.058 19910 1733 1 4 . 1 1 25 25 ARG CB C 25 30.500 30.500 30.653 -0.153 19910 1734 1 4 . 1 1 25 25 ARG H H 25 8.220 8.220 8.166 0.054 19910 1735 1 4 . 1 1 26 26 VAL N N 26 118.660 118.660 116.727 1.933 19910 1736 1 4 . 1 1 26 26 VAL HA H 26 3.454 3.454 3.962 -0.508 19910 1737 1 4 . 1 1 26 26 VAL C C 26 175.700 175.700 176.142 -0.442 19910 1738 1 4 . 1 1 26 26 VAL CA C 26 61.960 61.960 63.121 -1.161 19910 1739 1 4 . 1 1 26 26 VAL CB C 26 32.800 32.800 32.438 0.362 19910 1740 1 4 . 1 1 26 26 VAL H H 26 7.650 7.650 7.671 -0.021 19910 1741 1 4 . 1 1 27 27 SER N N 27 116.090 116.090 119.542 -3.452 19910 1742 1 4 . 1 1 27 27 SER HA H 27 4.183 4.183 4.269 -0.086 19910 1743 1 4 . 1 1 27 27 SER C C 27 173.750 173.750 174.808 -1.058 19910 1744 1 4 . 1 1 27 27 SER CA C 27 58.570 58.570 60.166 -1.596 19910 1745 1 4 . 1 1 27 27 SER CB C 27 63.530 63.530 63.455 0.075 19910 1746 1 4 . 1 1 27 27 SER H H 27 8.180 8.180 8.744 -0.564 19910 1747 1 4 . 1 1 28 28 GLU N N 28 120.070 120.070 119.231 0.839 19910 1748 1 4 . 1 1 28 28 GLU HA H 28 4.203 4.203 4.052 0.151 19910 1749 1 4 . 1 1 28 28 GLU C C 28 174.790 174.790 175.325 -0.535 19910 1750 1 4 . 1 1 28 28 GLU CA C 28 55.550 55.550 55.101 0.449 19910 1751 1 4 . 1 1 28 28 GLU CB C 28 30.620 30.620 31.109 -0.489 19910 1752 1 4 . 1 1 28 28 GLU H H 28 7.400 7.400 7.877 -0.477 19910 1753 1 4 . 1 1 29 29 PHE N N 29 120.340 120.340 120.671 -0.331 19910 1754 1 4 . 1 1 29 29 PHE HA H 29 4.487 4.487 4.600 -0.113 19910 1755 1 4 . 1 1 29 29 PHE C C 29 174.580 174.580 175.621 -1.041 19910 1756 1 4 . 1 1 29 29 PHE CA C 29 55.790 55.790 54.377 1.413 19910 1757 1 4 . 1 1 29 29 PHE CB C 29 39.690 39.690 40.164 -0.474 19910 1758 1 4 . 1 1 29 29 PHE H H 29 7.820 7.820 7.818 0.002 19910 1759 1 4 . 1 1 30 30 ASP N N 30 123.670 123.670 122.023 1.647 19910 1760 1 4 . 1 1 30 30 ASP HA H 30 4.817 4.817 4.766 0.051 19910 1761 1 4 . 1 1 30 30 ASP C C 30 174.040 174.040 174.416 -0.376 19910 1762 1 4 . 1 1 30 30 ASP CA C 30 53.850 53.850 53.337 0.513 19910 1763 1 4 . 1 1 30 30 ASP CB C 30 43.450 43.450 42.051 1.399 19910 1764 1 4 . 1 1 30 30 ASP H H 30 8.420 8.420 8.329 0.091 19910 1765 1 4 . 1 1 31 31 VAL N N 31 123.010 123.010 122.094 0.916 19910 1766 1 4 . 1 1 31 31 VAL HA H 31 4.768 4.768 4.606 0.162 19910 1767 1 4 . 1 1 31 31 VAL C C 31 173.980 173.980 174.813 -0.833 19910 1768 1 4 . 1 1 31 31 VAL CA C 31 60.510 60.510 60.981 -0.471 19910 1769 1 4 . 1 1 31 31 VAL CB C 31 34.730 34.730 32.307 2.423 19910 1770 1 4 . 1 1 31 31 VAL H H 31 8.270 8.270 8.385 -0.115 19910 1771 1 4 . 1 1 32 32 TYR N N 32 127.340 127.340 127.151 0.189 19910 1772 1 4 . 1 1 32 32 TYR HA H 32 4.624 4.624 4.870 -0.246 19910 1773 1 4 . 1 1 32 32 TYR C C 32 172.990 172.990 174.159 -1.169 19910 1774 1 4 . 1 1 32 32 TYR CA C 32 56.520 56.520 56.595 -0.075 19910 1775 1 4 . 1 1 32 32 TYR CB C 32 41.870 41.870 41.417 0.453 19910 1776 1 4 . 1 1 32 32 TYR H H 32 8.920 8.920 8.592 0.328 19910 1777 1 4 . 1 1 33 33 PHE N N 33 121.160 121.160 121.050 0.110 19910 1778 1 4 . 1 1 33 33 PHE HA H 33 5.106 5.106 6.015 -0.909 19910 1779 1 4 . 1 1 33 33 PHE C C 33 173.100 173.100 174.769 -1.669 19910 1780 1 4 . 1 1 33 33 PHE CA C 33 55.310 55.310 55.258 0.052 19910 1781 1 4 . 1 1 33 33 PHE CB C 33 40.420 40.420 41.926 -1.506 19910 1782 1 4 . 1 1 33 33 PHE H H 33 7.510 7.510 8.609 -1.099 19910 1783 1 4 . 1 1 34 34 GLU N N 34 120.460 120.460 121.843 -1.383 19910 1784 1 4 . 1 1 34 34 GLU HA H 34 4.099 4.099 4.837 -0.738 19910 1785 1 4 . 1 1 34 34 GLU C C 34 175.700 175.700 177.284 -1.584 19910 1786 1 4 . 1 1 34 34 GLU CA C 34 56.640 56.640 54.798 1.842 19910 1787 1 4 . 1 1 34 34 GLU CB C 34 31.340 31.340 31.369 -0.028 19910 1788 1 4 . 1 1 34 34 GLU H H 34 8.190 8.190 8.780 -0.590 19910 1789 1 4 . 1 1 35 35 GLY N N 35 117.400 117.400 115.553 1.847 19910 1790 1 4 . 1 1 35 35 GLY C C 35 173.120 173.120 174.756 -1.636 19910 1791 1 4 . 1 1 35 35 GLY CA C 35 47.680 47.680 46.201 1.479 19910 1792 1 4 . 1 1 35 35 GLY H H 35 9.240 9.240 8.802 0.438 19910 1793 1 4 . 1 1 36 36 SER N N 36 122.510 122.510 109.756 12.754 19910 1794 1 4 . 1 1 36 36 SER HA H 36 4.795 4.795 4.033 0.762 19910 1795 1 4 . 1 1 36 36 SER C C 36 172.680 172.680 173.292 -0.612 19910 1796 1 4 . 1 1 36 36 SER CA C 36 57.360 57.360 59.207 -1.847 19910 1797 1 4 . 1 1 36 36 SER CB C 36 64.500 64.500 62.450 2.050 19910 1798 1 4 . 1 1 36 36 SER H H 36 8.930 8.930 8.562 0.368 19910 1799 1 4 . 1 1 37 37 ASP N N 37 123.120 123.120 121.046 2.074 19910 1800 1 4 . 1 1 37 37 ASP HA H 37 5.192 5.192 5.045 0.147 19910 1801 1 4 . 1 1 37 37 ASP C C 37 174.170 174.170 174.513 -0.343 19910 1802 1 4 . 1 1 37 37 ASP CA C 37 54.340 54.340 53.092 1.248 19910 1803 1 4 . 1 1 37 37 ASP CB C 37 43.810 43.810 42.226 1.584 19910 1804 1 4 . 1 1 37 37 ASP H H 37 8.600 8.600 7.586 1.014 19910 1805 1 4 . 1 1 38 38 PHE N N 38 122.850 122.850 129.094 -6.244 19910 1806 1 4 . 1 1 38 38 PHE HA H 38 5.053 5.053 5.378 -0.325 19910 1807 1 4 . 1 1 38 38 PHE C C 38 172.810 172.810 173.412 -0.602 19910 1808 1 4 . 1 1 38 38 PHE CA C 38 57.000 57.000 56.474 0.526 19910 1809 1 4 . 1 1 38 38 PHE CB C 38 43.080 43.080 41.676 1.404 19910 1810 1 4 . 1 1 38 38 PHE H H 38 8.340 8.340 8.928 -0.588 19910 1811 1 4 . 1 1 39 39 LYS N N 39 126.630 126.630 129.318 -2.688 19910 1812 1 4 . 1 1 39 39 LYS HA H 39 4.816 4.816 4.720 0.096 19910 1813 1 4 . 1 1 39 39 LYS C C 39 172.540 172.540 174.569 -2.029 19910 1814 1 4 . 1 1 39 39 LYS CA C 39 54.890 54.890 53.978 0.912 19910 1815 1 4 . 1 1 39 39 LYS CB C 39 36.790 36.790 33.230 3.560 19910 1816 1 4 . 1 1 39 39 LYS H H 39 8.690 8.690 9.117 -0.427 19910 1817 1 4 . 1 1 40 40 PHE N N 40 123.910 123.910 127.347 -3.437 19910 1818 1 4 . 1 1 40 40 PHE HA H 40 4.923 4.923 5.242 -0.319 19910 1819 1 4 . 1 1 40 40 PHE C C 40 171.900 171.900 173.149 -1.249 19910 1820 1 4 . 1 1 40 40 PHE CA C 40 55.910 55.910 55.242 0.667 19910 1821 1 4 . 1 1 40 40 PHE CB C 40 43.450 43.450 41.677 1.773 19910 1822 1 4 . 1 1 40 40 PHE H H 40 8.750 8.750 8.841 -0.091 19910 1823 1 4 . 1 1 41 41 TYR N N 41 126.490 126.490 128.522 -2.032 19910 1824 1 4 . 1 1 41 41 TYR HA H 41 4.958 4.958 4.782 0.176 19910 1825 1 4 . 1 1 41 41 TYR C C 41 173.070 173.070 174.017 -0.947 19910 1826 1 4 . 1 1 41 41 TYR CA C 41 55.670 55.670 56.217 -0.547 19910 1827 1 4 . 1 1 41 41 TYR CB C 41 41.510 41.510 39.208 2.302 19910 1828 1 4 . 1 1 41 41 TYR H H 41 8.450 8.450 8.701 -0.251 19910 1829 1 4 . 1 1 42 42 ALA N N 42 129.720 129.720 125.901 3.819 19910 1830 1 4 . 1 1 42 42 ALA HA H 42 4.024 4.024 4.824 -0.800 19910 1831 1 4 . 1 1 42 42 ALA C C 42 174.350 174.350 175.601 -1.251 19910 1832 1 4 . 1 1 42 42 ALA CA C 42 51.190 51.190 50.727 0.463 19910 1833 1 4 . 1 1 42 42 ALA CB C 42 20.330 20.330 21.148 -0.817 19910 1834 1 4 . 1 1 42 42 ALA H H 42 7.970 7.970 8.403 -0.433 19910 1835 1 4 . 1 1 43 43 LYS N N 43 124.250 124.250 121.933 2.317 19910 1836 1 4 . 1 1 43 43 LYS HA H 43 3.634 3.634 3.905 -0.271 19910 1837 1 4 . 1 1 43 43 LYS CA C 43 56.260 56.260 57.284 -1.024 19910 1838 1 4 . 1 1 43 43 LYS CB C 43 32.860 32.860 29.453 3.406 19910 1839 1 4 . 1 1 43 43 LYS H H 43 7.850 7.850 8.419 -0.569 19910 1840 1 4 . 1 1 44 44 PRO HA H 44 4.487 4.487 4.198 0.289 19910 1841 1 4 . 1 1 44 44 PRO C C 44 173.980 173.980 176.116 -2.136 19910 1842 1 4 . 1 1 44 44 PRO CA C 44 64.380 64.380 64.369 0.011 19910 1843 1 4 . 1 1 44 44 PRO CB C 44 34.010 34.010 31.592 2.418 19910 1844 1 4 . 1 1 45 45 TYR N N 45 126.840 126.840 117.616 9.224 19910 1845 1 4 . 1 1 45 45 TYR HA H 45 5.274 5.274 3.928 1.346 19910 1846 1 4 . 1 1 45 45 TYR C C 45 175.290 175.290 174.271 1.019 19910 1847 1 4 . 1 1 45 45 TYR CA C 45 58.330 58.330 56.099 2.231 19910 1848 1 4 . 1 1 45 45 TYR CB C 45 40.300 40.300 37.764 2.536 19910 1849 1 4 . 1 1 45 45 TYR H H 45 9.360 9.360 7.315 2.045 19910 1850 1 4 . 1 1 46 46 PHE N N 46 121.470 121.470 120.755 0.715 19910 1851 1 4 . 1 1 46 46 PHE HA H 46 5.422 5.422 5.333 0.089 19910 1852 1 4 . 1 1 46 46 PHE C C 46 173.180 173.180 174.929 -1.749 19910 1853 1 4 . 1 1 46 46 PHE CA C 46 56.520 56.520 55.790 0.730 19910 1854 1 4 . 1 1 46 46 PHE CB C 46 43.930 43.930 41.176 2.754 19910 1855 1 4 . 1 1 46 46 PHE H H 46 8.870 8.870 7.962 0.908 19910 1856 1 4 . 1 1 47 47 LEU N N 47 129.700 129.700 126.249 3.451 19910 1857 1 4 . 1 1 47 47 LEU HA H 47 4.565 4.565 4.702 -0.137 19910 1858 1 4 . 1 1 47 47 LEU C C 47 171.770 171.770 175.056 -3.286 19910 1859 1 4 . 1 1 47 47 LEU CA C 47 53.130 53.130 53.977 -0.847 19910 1860 1 4 . 1 1 47 47 LEU CB C 47 47.560 47.560 44.767 2.792 19910 1861 1 4 . 1 1 47 47 LEU H H 47 8.850 8.850 9.110 -0.260 19910 1862 1 4 . 1 1 48 48 ARG N N 48 127.760 127.760 127.561 0.199 19910 1863 1 4 . 1 1 48 48 ARG HA H 48 5.283 5.283 4.979 0.304 19910 1864 1 4 . 1 1 48 48 ARG C C 48 174.090 174.090 174.885 -0.795 19910 1865 1 4 . 1 1 48 48 ARG CA C 48 54.100 54.100 54.993 -0.893 19910 1866 1 4 . 1 1 48 48 ARG CB C 48 33.160 33.160 31.105 2.055 19910 1867 1 4 . 1 1 48 48 ARG H H 48 8.620 8.620 8.648 -0.028 19910 1868 1 4 . 1 1 49 49 LEU N N 49 122.890 122.890 129.617 -6.727 19910 1869 1 4 . 1 1 49 49 LEU HA H 49 4.855 4.855 4.798 0.057 19910 1870 1 4 . 1 1 49 49 LEU C C 49 175.880 175.880 175.483 0.397 19910 1871 1 4 . 1 1 49 49 LEU CA C 49 52.880 52.880 53.944 -1.064 19910 1872 1 4 . 1 1 49 49 LEU CB C 49 47.800 47.800 44.981 2.819 19910 1873 1 4 . 1 1 49 49 LEU H H 49 8.970 8.970 9.061 -0.091 19910 1874 1 4 . 1 1 50 50 THR N N 50 118.610 118.610 119.741 -1.131 19910 1875 1 4 . 1 1 50 50 THR HA H 50 4.862 4.862 4.861 0.001 19910 1876 1 4 . 1 1 50 50 THR C C 50 174.610 174.610 174.530 0.080 19910 1877 1 4 . 1 1 50 50 THR CA C 50 61.110 61.110 61.402 -0.292 19910 1878 1 4 . 1 1 50 50 THR CB C 50 69.220 69.220 68.872 0.348 19910 1879 1 4 . 1 1 50 50 THR H H 50 8.670 8.670 8.440 0.230 19910 1880 1 4 . 1 1 51 51 LEU N N 51 126.300 126.300 128.452 -2.152 19910 1881 1 4 . 1 1 51 51 LEU HA H 51 4.302 4.302 4.531 -0.229 19910 1882 1 4 . 1 1 51 51 LEU CA C 51 52.650 52.650 52.534 0.116 19910 1883 1 4 . 1 1 51 51 LEU CB C 51 41.950 41.950 41.237 0.713 19910 1884 1 4 . 1 1 51 51 LEU H H 51 9.540 9.540 8.167 1.373 19910 1885 1 4 . 1 1 52 52 PRO HA H 52 4.401 4.401 4.209 0.192 19910 1886 1 4 . 1 1 52 52 PRO C C 52 174.240 174.240 176.022 -1.782 19910 1887 1 4 . 1 1 52 52 PRO CA C 52 62.690 62.690 63.495 -0.805 19910 1888 1 4 . 1 1 52 52 PRO CB C 52 30.620 30.620 32.071 -1.451 19910 1889 1 4 . 1 1 53 53 GLY N N 53 105.990 105.990 104.515 1.475 19910 1890 1 4 . 1 1 53 53 GLY C C 53 170.520 170.520 172.938 -2.418 19910 1891 1 4 . 1 1 53 53 GLY CA C 53 43.450 43.450 43.599 -0.149 19910 1892 1 4 . 1 1 53 53 GLY H H 53 6.550 6.550 6.519 0.031 19910 1893 1 4 . 1 1 54 54 ARG N N 54 115.660 115.660 122.202 -6.542 19910 1894 1 4 . 1 1 54 54 ARG HA H 54 4.347 4.347 4.430 -0.083 19910 1895 1 4 . 1 1 54 54 ARG C C 54 176.940 176.940 174.845 2.095 19910 1896 1 4 . 1 1 54 54 ARG CA C 54 55.890 55.890 56.199 -0.309 19910 1897 1 4 . 1 1 54 54 ARG CB C 54 32.310 32.310 31.178 1.132 19910 1898 1 4 . 1 1 54 54 ARG H H 54 8.210 8.210 8.166 0.044 19910 1899 1 4 . 1 1 55 55 ILE N N 55 118.910 118.910 120.471 -1.561 19910 1900 1 4 . 1 1 55 55 ILE HA H 55 5.003 5.003 4.503 0.500 19910 1901 1 4 . 1 1 55 55 ILE C C 55 175.310 175.310 175.640 -0.330 19910 1902 1 4 . 1 1 55 55 ILE CA C 55 58.500 58.500 59.062 -0.562 19910 1903 1 4 . 1 1 55 55 ILE CB C 55 40.950 40.950 39.202 1.748 19910 1904 1 4 . 1 1 55 55 ILE H H 55 8.640 8.640 8.475 0.165 19910 1905 1 4 . 1 1 56 56 VAL N N 56 118.140 118.140 126.696 -8.556 19910 1906 1 4 . 1 1 56 56 VAL HA H 56 4.438 4.438 3.994 0.444 19910 1907 1 4 . 1 1 56 56 VAL C C 56 172.920 172.920 175.473 -2.553 19910 1908 1 4 . 1 1 56 56 VAL CA C 56 60.510 60.510 62.498 -1.988 19910 1909 1 4 . 1 1 56 56 VAL CB C 56 34.850 34.850 33.033 1.817 19910 1910 1 4 . 1 1 56 56 VAL H H 56 8.330 8.330 7.952 0.378 19910 1911 1 4 . 1 1 57 57 GLU N N 57 123.300 123.300 127.678 -4.378 19910 1912 1 4 . 1 1 57 57 GLU HA H 57 4.358 4.358 4.894 -0.536 19910 1913 1 4 . 1 1 57 57 GLU C C 57 176.350 176.350 175.629 0.721 19910 1914 1 4 . 1 1 57 57 GLU CA C 57 55.890 55.890 56.171 -0.281 19910 1915 1 4 . 1 1 57 57 GLU CB C 57 29.880 29.880 30.448 -0.568 19910 1916 1 4 . 1 1 57 57 GLU H H 57 8.380 8.380 8.642 -0.262 19910 1917 1 4 . 1 1 58 58 ASN N N 58 121.570 121.570 123.414 -1.844 19910 1918 1 4 . 1 1 58 58 ASN HA H 58 4.764 4.764 4.841 -0.077 19910 1919 1 4 . 1 1 58 58 ASN C C 58 176.120 176.120 175.647 0.473 19910 1920 1 4 . 1 1 58 58 ASN CA C 58 52.760 52.760 53.717 -0.957 19910 1921 1 4 . 1 1 58 58 ASN CB C 58 38.970 38.970 39.633 -0.663 19910 1922 1 4 . 1 1 58 58 ASN H H 58 8.360 8.360 9.194 -0.834 19910 1923 1 4 . 1 1 59 59 GLY N N 59 112.050 112.050 108.826 3.224 19910 1924 1 4 . 1 1 59 59 GLY C C 59 174.840 174.840 174.906 -0.066 19910 1925 1 4 . 1 1 59 59 GLY CA C 59 45.380 45.380 45.034 0.346 19910 1926 1 4 . 1 1 59 59 GLY H H 59 9.350 9.350 8.673 0.677 19910 1927 1 4 . 1 1 60 60 SER N N 60 115.430 115.430 116.950 -1.520 19910 1928 1 4 . 1 1 60 60 SER HA H 60 4.536 4.536 4.305 0.231 19910 1929 1 4 . 1 1 60 60 SER C C 60 174.140 174.140 175.230 -1.090 19910 1930 1 4 . 1 1 60 60 SER CA C 60 58.810 58.810 60.004 -1.194 19910 1931 1 4 . 1 1 60 60 SER CB C 60 64.140 64.140 63.490 0.650 19910 1932 1 4 . 1 1 60 60 SER H H 60 8.350 8.350 8.379 -0.029 19910 1933 1 4 . 1 1 61 61 GLU N N 61 122.950 122.950 118.892 4.058 19910 1934 1 4 . 1 1 61 61 GLU HA H 61 4.525 4.525 4.000 0.525 19910 1935 1 4 . 1 1 61 61 GLU C C 61 175.550 175.550 175.911 -0.361 19910 1936 1 4 . 1 1 61 61 GLU CA C 61 56.520 56.520 57.727 -1.207 19910 1937 1 4 . 1 1 61 61 GLU CB C 61 29.530 29.530 29.263 0.267 19910 1938 1 4 . 1 1 61 61 GLU H H 61 8.910 8.910 8.140 0.770 19910 1939 1 4 . 1 1 62 62 GLN N N 62 120.280 120.280 118.458 1.822 19910 1940 1 4 . 1 1 62 62 GLN HA H 62 4.601 4.601 4.510 0.091 19910 1941 1 4 . 1 1 62 62 GLN C C 62 175.700 175.700 174.057 1.643 19910 1942 1 4 . 1 1 62 62 GLN CA C 62 55.430 55.430 55.413 0.017 19910 1943 1 4 . 1 1 62 62 GLN CB C 62 31.340 31.340 33.270 -1.930 19910 1944 1 4 . 1 1 62 62 GLN H H 62 8.310 8.310 8.154 0.156 19910 1945 1 4 . 1 1 63 63 GLY N N 63 111.400 111.400 108.826 2.574 19910 1946 1 4 . 1 1 63 63 GLY C C 63 172.550 172.550 172.883 -0.333 19910 1947 1 4 . 1 1 63 63 GLY CA C 63 44.690 44.690 44.953 -0.263 19910 1948 1 4 . 1 1 63 63 GLY H H 63 8.880 8.880 8.442 0.438 19910 1949 1 4 . 1 1 64 64 SER N N 64 115.080 115.080 118.594 -3.514 19910 1950 1 4 . 1 1 64 64 SER HA H 64 4.629 4.629 4.776 -0.147 19910 1951 1 4 . 1 1 64 64 SER C C 64 171.770 171.770 173.321 -1.551 19910 1952 1 4 . 1 1 64 64 SER CA C 64 57.120 57.120 57.758 -0.638 19910 1953 1 4 . 1 1 64 64 SER CB C 64 65.230 65.230 65.006 0.224 19910 1954 1 4 . 1 1 64 64 SER H H 64 8.280 8.280 8.712 -0.432 19910 1955 1 4 . 1 1 65 65 TYR N N 65 124.640 124.640 126.582 -1.942 19910 1956 1 4 . 1 1 65 65 TYR HA H 65 5.198 5.198 4.769 0.429 19910 1957 1 4 . 1 1 65 65 TYR C C 65 173.640 173.640 175.408 -1.768 19910 1958 1 4 . 1 1 65 65 TYR CA C 65 55.670 55.670 57.996 -2.326 19910 1959 1 4 . 1 1 65 65 TYR CB C 65 40.900 40.900 38.736 2.164 19910 1960 1 4 . 1 1 65 65 TYR H H 65 8.980 8.980 8.787 0.193 19910 1961 1 4 . 1 1 66 66 ASP N N 66 128.570 128.570 126.087 2.483 19910 1962 1 4 . 1 1 66 66 ASP HA H 66 4.532 4.532 5.016 -0.484 19910 1963 1 4 . 1 1 66 66 ASP C C 66 175.340 175.340 175.414 -0.074 19910 1964 1 4 . 1 1 66 66 ASP CA C 66 51.800 51.800 53.696 -1.896 19910 1965 1 4 . 1 1 66 66 ASP CB C 66 41.510 41.510 43.171 -1.661 19910 1966 1 4 . 1 1 66 66 ASP H H 66 8.000 8.000 8.350 -0.350 19910 1967 1 4 . 1 1 67 67 ALA N N 67 127.520 127.520 127.830 -0.310 19910 1968 1 4 . 1 1 67 67 ALA HA H 67 3.597 3.597 4.279 -0.682 19910 1969 1 4 . 1 1 67 67 ALA C C 67 178.770 178.770 178.067 0.703 19910 1970 1 4 . 1 1 67 67 ALA CA C 67 53.850 53.850 54.051 -0.201 19910 1971 1 4 . 1 1 67 67 ALA CB C 67 18.640 18.640 19.298 -0.658 19910 1972 1 4 . 1 1 67 67 ALA H H 67 8.460 8.460 8.756 -0.296 19910 1973 1 4 . 1 1 68 68 ASP N N 68 117.850 117.850 118.220 -0.370 19910 1974 1 4 . 1 1 68 68 ASP HA H 68 4.340 4.340 4.432 -0.092 19910 1975 1 4 . 1 1 68 68 ASP C C 68 177.780 177.780 177.831 -0.051 19910 1976 1 4 . 1 1 68 68 ASP CA C 68 56.760 56.760 56.356 0.404 19910 1977 1 4 . 1 1 68 68 ASP CB C 68 40.900 40.900 40.596 0.304 19910 1978 1 4 . 1 1 68 68 ASP H H 68 7.980 7.980 8.472 -0.492 19910 1979 1 4 . 1 1 69 69 LYS N N 69 115.790 115.790 117.986 -2.196 19910 1980 1 4 . 1 1 69 69 LYS HA H 69 4.119 4.119 4.376 -0.257 19910 1981 1 4 . 1 1 69 69 LYS C C 69 177.130 177.130 176.870 0.260 19910 1982 1 4 . 1 1 69 69 LYS CA C 69 56.150 56.150 56.311 -0.161 19910 1983 1 4 . 1 1 69 69 LYS CB C 69 34.010 34.010 33.458 0.552 19910 1984 1 4 . 1 1 69 69 LYS H H 69 7.390 7.390 8.121 -0.731 19910 1985 1 4 . 1 1 70 70 GLY N N 70 110.040 110.040 108.877 1.163 19910 1986 1 4 . 1 1 70 70 GLY C C 70 174.040 174.040 173.560 0.480 19910 1987 1 4 . 1 1 70 70 GLY CA C 70 46.830 46.830 45.605 1.225 19910 1988 1 4 . 1 1 70 70 GLY H H 70 8.030 8.030 7.717 0.313 19910 1989 1 4 . 1 1 71 71 ILE N N 71 115.810 115.810 120.110 -4.300 19910 1990 1 4 . 1 1 71 71 ILE HA H 71 4.861 4.861 4.705 0.156 19910 1991 1 4 . 1 1 71 71 ILE C C 71 175.520 175.520 173.838 1.682 19910 1992 1 4 . 1 1 71 71 ILE CA C 71 59.420 59.420 60.951 -1.531 19910 1993 1 4 . 1 1 71 71 ILE CB C 71 42.240 42.240 42.010 0.230 19910 1994 1 4 . 1 1 71 71 ILE H H 71 6.990 6.990 8.343 -1.353 19910 1995 1 4 . 1 1 72 72 PHE N N 72 132.630 132.630 129.617 3.013 19910 1996 1 4 . 1 1 72 72 PHE HA H 72 5.377 5.377 5.391 -0.014 19910 1997 1 4 . 1 1 72 72 PHE C C 72 173.310 173.310 173.953 -0.643 19910 1998 1 4 . 1 1 72 72 PHE CA C 72 56.150 56.150 54.019 2.131 19910 1999 1 4 . 1 1 72 72 PHE CB C 72 41.630 41.630 41.092 0.538 19910 2000 1 4 . 1 1 72 72 PHE H H 72 9.720 9.720 9.452 0.268 19910 2001 1 4 . 1 1 73 73 THR N N 73 124.190 124.190 124.708 -0.518 19910 2002 1 4 . 1 1 73 73 THR HA H 73 5.047 5.047 5.030 0.017 19910 2003 1 4 . 1 1 73 73 THR C C 73 172.660 172.660 173.033 -0.373 19910 2004 1 4 . 1 1 73 73 THR CA C 73 61.480 61.480 60.481 0.999 19910 2005 1 4 . 1 1 73 73 THR CB C 73 69.950 69.950 69.701 0.249 19910 2006 1 4 . 1 1 73 73 THR H H 73 8.610 8.610 8.668 -0.058 19910 2007 1 4 . 1 1 74 74 ILE N N 74 125.780 125.780 126.545 -0.765 19910 2008 1 4 . 1 1 74 74 ILE HA H 74 4.557 4.557 4.752 -0.195 19910 2009 1 4 . 1 1 74 74 ILE C C 74 171.480 171.480 173.518 -2.038 19910 2010 1 4 . 1 1 74 74 ILE CA C 74 59.060 59.060 59.249 -0.189 19910 2011 1 4 . 1 1 74 74 ILE CB C 74 41.510 41.510 41.675 -0.165 19910 2012 1 4 . 1 1 74 74 ILE H H 74 8.850 8.850 8.070 0.780 19910 2013 1 4 . 1 1 75 75 ARG N N 75 127.330 127.330 127.776 -0.446 19910 2014 1 4 . 1 1 75 75 ARG HA H 75 4.859 4.859 4.409 0.450 19910 2015 1 4 . 1 1 75 75 ARG C C 75 174.790 174.790 174.846 -0.056 19910 2016 1 4 . 1 1 75 75 ARG CA C 75 54.460 54.460 55.171 -0.711 19910 2017 1 4 . 1 1 75 75 ARG CB C 75 31.460 31.460 31.438 0.022 19910 2018 1 4 . 1 1 75 75 ARG H H 75 8.320 8.320 8.200 0.120 19910 2019 1 4 . 1 1 76 76 LEU N N 76 125.120 125.120 121.628 3.492 19910 2020 1 4 . 1 1 76 76 LEU HA H 76 4.819 4.819 4.815 0.004 19910 2021 1 4 . 1 1 76 76 LEU CA C 76 50.530 50.530 51.507 -0.977 19910 2022 1 4 . 1 1 76 76 LEU CB C 76 43.070 43.070 44.489 -1.419 19910 2023 1 4 . 1 1 76 76 LEU H H 76 9.300 9.300 8.153 1.147 19910 2024 1 4 . 1 1 77 77 PRO HA H 77 4.114 4.114 4.632 -0.518 19910 2025 1 4 . 1 1 77 77 PRO C C 77 176.430 176.430 176.542 -0.112 19910 2026 1 4 . 1 1 77 77 PRO CA C 77 62.080 62.080 61.799 0.281 19910 2027 1 4 . 1 1 77 77 PRO CB C 77 31.220 31.220 32.269 -1.049 19910 2028 1 4 . 1 1 78 78 LYS N N 78 122.800 122.800 120.718 2.082 19910 2029 1 4 . 1 1 78 78 LYS HA H 78 4.062 4.062 4.432 -0.370 19910 2030 1 4 . 1 1 78 78 LYS C C 78 176.590 176.590 176.397 0.193 19910 2031 1 4 . 1 1 78 78 LYS CA C 78 57.730 57.730 55.129 2.601 19910 2032 1 4 . 1 1 78 78 LYS CB C 78 32.800 32.800 33.192 -0.392 19910 2033 1 4 . 1 1 78 78 LYS H H 78 7.790 7.790 7.762 0.028 19910 2034 1 4 . 1 1 79 79 GLU N N 79 124.540 124.540 122.216 2.324 19910 2035 1 4 . 1 1 79 79 GLU HA H 79 3.689 3.689 4.277 -0.588 19910 2036 1 4 . 1 1 79 79 GLU C C 79 176.300 176.300 176.251 0.049 19910 2037 1 4 . 1 1 79 79 GLU CA C 79 59.420 59.420 57.687 1.733 19910 2038 1 4 . 1 1 79 79 GLU CB C 79 30.500 30.500 30.436 0.065 19910 2039 1 4 . 1 1 79 79 GLU H H 79 8.520 8.520 8.890 -0.370 19910 2040 1 4 . 1 1 80 80 THR N N 80 115.960 115.960 117.925 -1.965 19910 2041 1 4 . 1 1 80 80 THR HA H 80 4.485 4.485 4.818 -0.333 19910 2042 1 4 . 1 1 80 80 THR CA C 80 59.120 59.120 59.630 -0.510 19910 2043 1 4 . 1 1 80 80 THR CB C 80 69.330 69.330 68.849 0.481 19910 2044 1 4 . 1 1 80 80 THR H H 80 9.070 9.070 7.948 1.122 19910 2045 1 4 . 1 1 81 81 PRO HA H 81 4.070 4.070 3.924 0.146 19910 2046 1 4 . 1 1 81 81 PRO C C 81 177.860 177.860 178.117 -0.257 19910 2047 1 4 . 1 1 81 81 PRO CA C 81 63.900 63.900 64.015 -0.115 19910 2048 1 4 . 1 1 81 81 PRO CB C 81 31.460 31.460 31.816 -0.356 19910 2049 1 4 . 1 1 82 82 GLY N N 82 113.580 113.580 111.249 2.331 19910 2050 1 4 . 1 1 82 82 GLY C C 82 174.870 174.870 174.091 0.779 19910 2051 1 4 . 1 1 82 82 GLY CA C 82 45.140 45.140 44.768 0.372 19910 2052 1 4 . 1 1 82 82 GLY H H 82 9.150 9.150 8.311 0.839 19910 2053 1 4 . 1 1 83 83 GLN N N 83 122.820 122.820 120.760 2.060 19910 2054 1 4 . 1 1 83 83 GLN HA H 83 4.159 4.159 4.342 -0.183 19910 2055 1 4 . 1 1 83 83 GLN C C 83 175.180 175.180 174.715 0.465 19910 2056 1 4 . 1 1 83 83 GLN CA C 83 56.390 56.390 55.614 0.776 19910 2057 1 4 . 1 1 83 83 GLN CB C 83 29.410 29.410 30.234 -0.824 19910 2058 1 4 . 1 1 83 83 GLN H H 83 7.960 7.960 7.507 0.453 19910 2059 1 4 . 1 1 84 84 HIS N N 84 131.340 131.340 125.508 5.832 19910 2060 1 4 . 1 1 84 84 HIS HA H 84 4.299 4.299 4.638 -0.339 19910 2061 1 4 . 1 1 84 84 HIS C C 84 175.300 175.300 173.940 1.360 19910 2062 1 4 . 1 1 84 84 HIS CA C 84 56.640 56.640 54.279 2.361 19910 2063 1 4 . 1 1 84 84 HIS CB C 84 30.980 30.980 32.386 -1.406 19910 2064 1 4 . 1 1 84 84 HIS H H 84 9.220 9.220 8.630 0.590 19910 2065 1 4 . 1 1 85 85 PHE N N 85 130.320 130.320 125.726 4.594 19910 2066 1 4 . 1 1 85 85 PHE HA H 85 4.722 4.722 4.624 0.098 19910 2067 1 4 . 1 1 85 85 PHE C C 85 174.890 174.890 175.573 -0.683 19910 2068 1 4 . 1 1 85 85 PHE CA C 85 54.580 54.580 54.451 0.129 19910 2069 1 4 . 1 1 85 85 PHE CB C 85 36.430 36.430 37.703 -1.273 19910 2070 1 4 . 1 1 85 85 PHE H H 85 9.130 9.130 8.347 0.783 19910 2071 1 4 . 1 1 86 86 GLU N N 86 126.010 126.010 124.577 1.433 19910 2072 1 4 . 1 1 86 86 GLU HA H 86 4.199 4.199 4.532 -0.333 19910 2073 1 4 . 1 1 86 86 GLU C C 86 177.000 177.000 177.831 -0.831 19910 2074 1 4 . 1 1 86 86 GLU CA C 86 55.910 55.910 57.494 -1.584 19910 2075 1 4 . 1 1 86 86 GLU CB C 86 30.620 30.620 30.405 0.215 19910 2076 1 4 . 1 1 86 86 GLU H H 86 8.900 8.900 8.123 0.777 19910 2077 1 4 . 1 1 87 87 GLY N N 87 108.540 108.540 112.341 -3.801 19910 2078 1 4 . 1 1 87 87 GLY C C 87 177.370 177.370 175.759 1.611 19910 2079 1 4 . 1 1 87 87 GLY CA C 87 46.590 46.590 46.066 0.524 19910 2080 1 4 . 1 1 87 87 GLY H H 87 8.610 8.610 9.006 -0.396 19910 2081 1 4 . 1 1 88 88 LEU N N 88 119.830 119.830 119.386 0.444 19910 2082 1 4 . 1 1 88 88 LEU HA H 88 3.775 3.775 3.995 -0.220 19910 2083 1 4 . 1 1 88 88 LEU C C 88 177.500 177.500 178.478 -0.978 19910 2084 1 4 . 1 1 88 88 LEU CA C 88 57.850 57.850 56.993 0.857 19910 2085 1 4 . 1 1 88 88 LEU CB C 88 40.780 40.780 41.446 -0.666 19910 2086 1 4 . 1 1 88 88 LEU H H 88 8.370 8.370 7.782 0.588 19910 2087 1 4 . 1 1 89 89 ASN N N 89 112.390 112.390 115.968 -3.578 19910 2088 1 4 . 1 1 89 89 ASN HA H 89 4.524 4.524 4.669 -0.145 19910 2089 1 4 . 1 1 89 89 ASN C C 89 175.440 175.440 175.986 -0.546 19910 2090 1 4 . 1 1 89 89 ASN CA C 89 54.340 54.340 54.223 0.117 19910 2091 1 4 . 1 1 89 89 ASN CB C 89 37.030 37.030 38.423 -1.393 19910 2092 1 4 . 1 1 89 89 ASN H H 89 8.470 8.470 8.300 0.170 19910 2093 1 4 . 1 1 90 90 MET N N 90 117.460 117.460 115.088 2.372 19910 2094 1 4 . 1 1 90 90 MET HA H 90 4.626 4.626 4.600 0.026 19910 2095 1 4 . 1 1 90 90 MET C C 90 176.040 176.040 175.883 0.157 19910 2096 1 4 . 1 1 90 90 MET CA C 90 54.340 54.340 56.046 -1.706 19910 2097 1 4 . 1 1 90 90 MET CB C 90 32.550 32.550 34.106 -1.556 19910 2098 1 4 . 1 1 90 90 MET H H 90 7.460 7.460 7.939 -0.479 19910 2099 1 4 . 1 1 91 91 LEU N N 91 121.330 121.330 121.746 -0.416 19910 2100 1 4 . 1 1 91 91 LEU HA H 91 4.277 4.277 4.177 0.100 19910 2101 1 4 . 1 1 91 91 LEU C C 91 176.870 176.870 176.905 -0.035 19910 2102 1 4 . 1 1 91 91 LEU CA C 91 56.390 56.390 56.124 0.266 19910 2103 1 4 . 1 1 91 91 LEU CB C 91 42.480 42.480 42.082 0.398 19910 2104 1 4 . 1 1 91 91 LEU H H 91 7.280 7.280 7.694 -0.414 19910 2105 1 4 . 1 1 92 92 THR N N 92 113.970 113.970 115.606 -1.636 19910 2106 1 4 . 1 1 92 92 THR HA H 92 4.582 4.582 4.432 0.150 19910 2107 1 4 . 1 1 92 92 THR C C 92 173.180 173.180 173.264 -0.084 19910 2108 1 4 . 1 1 92 92 THR CA C 92 60.390 60.390 61.401 -1.011 19910 2109 1 4 . 1 1 92 92 THR CB C 92 71.160 71.160 70.919 0.241 19910 2110 1 4 . 1 1 92 92 THR H H 92 8.110 8.110 7.963 0.147 19910 2111 1 4 . 1 1 93 93 ALA N N 93 124.650 124.650 127.094 -2.444 19910 2112 1 4 . 1 1 93 93 ALA HA H 93 4.245 4.245 4.672 -0.427 19910 2113 1 4 . 1 1 93 93 ALA C C 93 177.650 177.650 176.931 0.719 19910 2114 1 4 . 1 1 93 93 ALA CA C 93 52.640 52.640 52.071 0.569 19910 2115 1 4 . 1 1 93 93 ALA CB C 93 19.670 19.670 18.756 0.914 19910 2116 1 4 . 1 1 93 93 ALA H H 93 8.430 8.430 8.459 -0.029 19910 2117 1 4 . 1 1 94 94 LEU N N 94 123.150 123.150 122.668 0.482 19910 2118 1 4 . 1 1 94 94 LEU HA H 94 4.450 4.450 4.796 -0.346 19910 2119 1 4 . 1 1 94 94 LEU C C 94 177.420 177.420 176.034 1.386 19910 2120 1 4 . 1 1 94 94 LEU CA C 94 54.940 54.940 54.394 0.546 19910 2121 1 4 . 1 1 94 94 LEU CB C 94 42.480 42.480 42.656 -0.176 19910 2122 1 4 . 1 1 94 94 LEU H H 94 8.450 8.450 8.367 0.083 19910 2123 1 4 . 1 1 95 95 LEU N N 95 124.390 124.390 126.296 -1.906 19910 2124 1 4 . 1 1 95 95 LEU HA H 95 4.409 4.409 4.584 -0.175 19910 2125 1 4 . 1 1 95 95 LEU C C 95 175.990 175.990 177.597 -1.607 19910 2126 1 4 . 1 1 95 95 LEU CA C 95 55.060 55.060 54.245 0.815 19910 2127 1 4 . 1 1 95 95 LEU CB C 95 42.360 42.360 40.861 1.499 19910 2128 1 4 . 1 1 95 95 LEU H H 95 8.380 8.380 8.631 -0.251 19910 2129 1 5 . 1 1 2 2 LEU N N 2 123.170 123.170 125.859 -2.689 19910 2130 1 5 . 1 1 2 2 LEU HA H 2 4.588 4.588 4.743 -0.155 19910 2131 1 5 . 1 1 2 2 LEU C C 2 176.260 176.260 176.440 -0.180 19910 2132 1 5 . 1 1 2 2 LEU CA C 2 53.730 53.730 54.678 -0.948 19910 2133 1 5 . 1 1 2 2 LEU CB C 2 44.290 44.290 42.927 1.363 19910 2134 1 5 . 1 1 2 2 LEU H H 2 8.690 8.690 8.540 0.150 19910 2135 1 5 . 1 1 3 3 THR N N 3 120.960 120.960 119.132 1.828 19910 2136 1 5 . 1 1 3 3 THR HA H 3 5.193 5.193 4.446 0.747 19910 2137 1 5 . 1 1 3 3 THR CA C 3 59.990 59.990 60.421 -0.431 19910 2138 1 5 . 1 1 3 3 THR CB C 3 69.950 69.950 69.516 0.434 19910 2139 1 5 . 1 1 3 3 THR H H 3 8.850 8.850 8.330 0.520 19910 2140 1 5 . 1 1 4 4 PRO HA H 4 4.718 4.718 4.412 0.306 19910 2141 1 5 . 1 1 4 4 PRO C C 4 175.870 175.870 176.059 -0.189 19910 2142 1 5 . 1 1 4 4 PRO CA C 4 62.080 62.080 62.490 -0.410 19910 2143 1 5 . 1 1 4 4 PRO CB C 4 31.950 31.950 32.178 -0.228 19910 2144 1 5 . 1 1 5 5 ALA N N 5 122.560 122.560 124.868 -2.308 19910 2145 1 5 . 1 1 5 5 ALA HA H 5 4.348 4.348 4.378 -0.030 19910 2146 1 5 . 1 1 5 5 ALA C C 5 176.360 176.360 176.629 -0.269 19910 2147 1 5 . 1 1 5 5 ALA CA C 5 52.280 52.280 51.052 1.228 19910 2148 1 5 . 1 1 5 5 ALA CB C 5 18.880 18.880 17.649 1.231 19910 2149 1 5 . 1 1 5 5 ALA H H 5 8.400 8.400 8.149 0.251 19910 2150 1 5 . 1 1 6 6 PHE N N 6 115.160 115.160 119.312 -4.152 19910 2151 1 5 . 1 1 6 6 PHE HA H 6 5.537 5.537 4.643 0.894 19910 2152 1 5 . 1 1 6 6 PHE C C 6 172.590 172.590 174.678 -2.088 19910 2153 1 5 . 1 1 6 6 PHE CA C 6 55.430 55.430 56.415 -0.985 19910 2154 1 5 . 1 1 6 6 PHE CB C 6 42.240 42.240 40.452 1.788 19910 2155 1 5 . 1 1 6 6 PHE H H 6 7.740 7.740 7.687 0.053 19910 2156 1 5 . 1 1 7 7 ASP N N 7 118.960 118.960 119.976 -1.016 19910 2157 1 5 . 1 1 7 7 ASP HA H 7 4.813 4.813 4.686 0.127 19910 2158 1 5 . 1 1 7 7 ASP C C 7 174.530 174.530 173.615 0.915 19910 2159 1 5 . 1 1 7 7 ASP CA C 7 53.370 53.370 53.574 -0.204 19910 2160 1 5 . 1 1 7 7 ASP CB C 7 45.380 45.380 44.447 0.933 19910 2161 1 5 . 1 1 7 7 ASP H H 7 8.910 8.910 8.781 0.129 19910 2162 1 5 . 1 1 8 8 LEU N N 8 123.470 123.470 122.567 0.903 19910 2163 1 5 . 1 1 8 8 LEU HA H 8 5.284 5.284 4.570 0.714 19910 2164 1 5 . 1 1 8 8 LEU C C 8 175.420 175.420 175.700 -0.280 19910 2165 1 5 . 1 1 8 8 LEU CA C 8 53.850 53.850 53.715 0.135 19910 2166 1 5 . 1 1 8 8 LEU CB C 8 45.620 45.620 44.228 1.391 19910 2167 1 5 . 1 1 8 8 LEU H H 8 8.750 8.750 8.346 0.404 19910 2168 1 5 . 1 1 9 9 SER N N 9 115.920 115.920 117.106 -1.186 19910 2169 1 5 . 1 1 9 9 SER HA H 9 4.486 4.486 4.778 -0.292 19910 2170 1 5 . 1 1 9 9 SER C C 9 171.680 171.680 172.645 -0.965 19910 2171 1 5 . 1 1 9 9 SER CA C 9 57.000 57.000 57.224 -0.224 19910 2172 1 5 . 1 1 9 9 SER CB C 9 65.590 65.590 65.426 0.164 19910 2173 1 5 . 1 1 9 9 SER H H 9 8.860 8.860 8.263 0.597 19910 2174 1 5 . 1 1 10 10 GLN N N 10 115.230 115.230 123.001 -7.771 19910 2175 1 5 . 1 1 10 10 GLN HA H 10 5.375 5.375 4.739 0.636 19910 2176 1 5 . 1 1 10 10 GLN C C 10 172.130 172.130 173.563 -1.433 19910 2177 1 5 . 1 1 10 10 GLN CA C 10 54.270 54.270 54.005 0.265 19910 2178 1 5 . 1 1 10 10 GLN CB C 10 32.990 32.990 31.597 1.393 19910 2179 1 5 . 1 1 10 10 GLN H H 10 8.800 8.800 8.402 0.398 19910 2180 1 5 . 1 1 11 11 ASP N N 11 124.270 124.270 122.493 1.777 19910 2181 1 5 . 1 1 11 11 ASP HA H 11 4.768 4.768 5.182 -0.414 19910 2182 1 5 . 1 1 11 11 ASP CA C 11 52.530 52.530 50.981 1.549 19910 2183 1 5 . 1 1 11 11 ASP CB C 11 42.200 42.200 43.869 -1.669 19910 2184 1 5 . 1 1 11 11 ASP H H 11 8.680 8.680 8.540 0.140 19910 2185 1 5 . 1 1 12 12 PRO HA H 12 4.050 4.050 4.463 -0.413 19910 2186 1 5 . 1 1 12 12 PRO C C 12 175.290 175.290 175.813 -0.523 19910 2187 1 5 . 1 1 12 12 PRO CA C 12 66.920 66.920 64.656 2.264 19910 2188 1 5 . 1 1 12 12 PRO CB C 12 31.950 31.950 32.265 -0.315 19910 2189 1 5 . 1 1 13 13 ASP N N 13 110.550 110.550 114.833 -4.283 19910 2190 1 5 . 1 1 13 13 ASP HA H 13 4.632 4.632 4.626 0.006 19910 2191 1 5 . 1 1 13 13 ASP C C 13 176.480 176.480 174.477 2.003 19910 2192 1 5 . 1 1 13 13 ASP CA C 13 54.940 54.940 53.984 0.956 19910 2193 1 5 . 1 1 13 13 ASP CB C 13 44.410 44.410 42.640 1.770 19910 2194 1 5 . 1 1 13 13 ASP H H 13 7.990 7.990 8.436 -0.446 19910 2195 1 5 . 1 1 14 14 PHE N N 14 118.880 118.880 116.504 2.376 19910 2196 1 5 . 1 1 14 14 PHE HA H 14 5.049 5.049 4.877 0.172 19910 2197 1 5 . 1 1 14 14 PHE C C 14 174.690 174.690 173.561 1.129 19910 2198 1 5 . 1 1 14 14 PHE CA C 14 57.600 57.600 57.406 0.194 19910 2199 1 5 . 1 1 14 14 PHE CB C 14 42.960 42.960 42.434 0.526 19910 2200 1 5 . 1 1 14 14 PHE H H 14 8.390 8.390 7.917 0.473 19910 2201 1 5 . 1 1 15 15 LEU N N 15 123.990 123.990 121.828 2.162 19910 2202 1 5 . 1 1 15 15 LEU HA H 15 4.613 4.613 4.698 -0.085 19910 2203 1 5 . 1 1 15 15 LEU C C 15 174.780 174.780 174.731 0.049 19910 2204 1 5 . 1 1 15 15 LEU CA C 15 53.250 53.250 54.243 -0.993 19910 2205 1 5 . 1 1 15 15 LEU CB C 15 45.020 45.020 44.243 0.777 19910 2206 1 5 . 1 1 15 15 LEU H H 15 9.200 9.200 9.117 0.083 19910 2207 1 5 . 1 1 16 16 THR N N 16 122.960 122.960 123.741 -0.781 19910 2208 1 5 . 1 1 16 16 THR HA H 16 4.849 4.849 5.089 -0.240 19910 2209 1 5 . 1 1 16 16 THR C C 16 172.810 172.810 173.742 -0.932 19910 2210 1 5 . 1 1 16 16 THR CA C 16 62.690 62.690 61.767 0.923 19910 2211 1 5 . 1 1 16 16 THR CB C 16 69.340 69.340 71.130 -1.790 19910 2212 1 5 . 1 1 16 16 THR H H 16 9.000 9.000 8.911 0.089 19910 2213 1 5 . 1 1 17 17 ILE N N 17 126.630 126.630 122.105 4.525 19910 2214 1 5 . 1 1 17 17 ILE HA H 17 4.439 4.439 4.205 0.234 19910 2215 1 5 . 1 1 17 17 ILE C C 17 172.580 172.580 173.532 -0.952 19910 2216 1 5 . 1 1 17 17 ILE CA C 17 60.030 60.030 59.572 0.458 19910 2217 1 5 . 1 1 17 17 ILE CB C 17 39.450 39.450 41.744 -2.294 19910 2218 1 5 . 1 1 17 17 ILE H H 17 8.680 8.680 8.229 0.451 19910 2219 1 5 . 1 1 18 18 ALA N N 18 130.190 130.190 126.590 3.600 19910 2220 1 5 . 1 1 18 18 ALA HA H 18 5.215 5.215 5.327 -0.112 19910 2221 1 5 . 1 1 18 18 ALA C C 18 176.660 176.660 175.783 0.877 19910 2222 1 5 . 1 1 18 18 ALA CA C 18 49.980 49.980 50.233 -0.253 19910 2223 1 5 . 1 1 18 18 ALA CB C 18 20.570 20.570 21.534 -0.964 19910 2224 1 5 . 1 1 18 18 ALA H H 18 8.490 8.490 8.333 0.157 19910 2225 1 5 . 1 1 19 19 ILE N N 19 124.920 124.920 123.465 1.455 19910 2226 1 5 . 1 1 19 19 ILE HA H 19 4.307 4.307 4.368 -0.061 19910 2227 1 5 . 1 1 19 19 ILE C C 19 174.710 174.710 174.778 -0.068 19910 2228 1 5 . 1 1 19 19 ILE CA C 19 60.990 60.990 59.774 1.216 19910 2229 1 5 . 1 1 19 19 ILE CB C 19 40.900 40.900 40.897 0.003 19910 2230 1 5 . 1 1 19 19 ILE H H 19 9.590 9.590 8.209 1.381 19910 2231 1 5 . 1 1 20 20 ARG N N 20 128.960 128.960 129.265 -0.305 19910 2232 1 5 . 1 1 20 20 ARG HA H 20 4.642 4.642 4.426 0.216 19910 2233 1 5 . 1 1 20 20 ARG C C 20 174.890 174.890 174.908 -0.018 19910 2234 1 5 . 1 1 20 20 ARG CA C 20 56.030 56.030 56.010 0.020 19910 2235 1 5 . 1 1 20 20 ARG CB C 20 29.530 29.530 30.395 -0.865 19910 2236 1 5 . 1 1 20 20 ARG H H 20 8.600 8.600 8.665 -0.065 19910 2237 1 5 . 1 1 21 21 VAL N N 21 120.400 120.400 122.738 -2.338 19910 2238 1 5 . 1 1 21 21 VAL HA H 21 4.010 4.010 4.394 -0.384 19910 2239 1 5 . 1 1 21 21 VAL C C 21 174.950 174.950 173.899 1.051 19910 2240 1 5 . 1 1 21 21 VAL CA C 21 59.420 59.420 60.393 -0.973 19910 2241 1 5 . 1 1 21 21 VAL CB C 21 33.280 33.280 34.826 -1.546 19910 2242 1 5 . 1 1 21 21 VAL H H 21 8.020 8.020 7.992 0.028 19910 2243 1 5 . 1 1 22 22 SER N N 22 118.050 118.050 115.659 2.391 19910 2244 1 5 . 1 1 22 22 SER HA H 22 4.540 4.540 4.765 -0.225 19910 2245 1 5 . 1 1 22 22 SER C C 22 174.110 174.110 175.631 -1.521 19910 2246 1 5 . 1 1 22 22 SER CA C 22 59.540 59.540 58.126 1.414 19910 2247 1 5 . 1 1 22 22 SER CB C 22 63.600 63.600 64.014 -0.414 19910 2248 1 5 . 1 1 22 22 SER H H 22 7.770 7.770 8.272 -0.502 19910 2249 1 5 . 1 1 23 23 TYR N N 23 120.870 120.870 122.678 -1.808 19910 2250 1 5 . 1 1 23 23 TYR HA H 23 4.493 4.493 4.386 0.107 19910 2251 1 5 . 1 1 23 23 TYR C C 23 175.310 175.310 176.046 -0.736 19910 2252 1 5 . 1 1 23 23 TYR CA C 23 58.210 58.210 57.871 0.339 19910 2253 1 5 . 1 1 23 23 TYR CB C 23 37.880 37.880 38.085 -0.205 19910 2254 1 5 . 1 1 23 23 TYR H H 23 8.300 8.300 8.209 0.091 19910 2255 1 5 . 1 1 24 24 ALA N N 24 122.670 122.670 120.546 2.124 19910 2256 1 5 . 1 1 24 24 ALA HA H 24 4.303 4.303 4.054 0.249 19910 2257 1 5 . 1 1 24 24 ALA C C 24 177.160 177.160 178.023 -0.863 19910 2258 1 5 . 1 1 24 24 ALA CA C 24 52.520 52.520 52.791 -0.272 19910 2259 1 5 . 1 1 24 24 ALA CB C 24 19.730 19.730 18.895 0.835 19910 2260 1 5 . 1 1 24 24 ALA H H 24 7.910 7.910 8.255 -0.345 19910 2261 1 5 . 1 1 25 25 ARG N N 25 119.060 119.060 122.012 -2.952 19910 2262 1 5 . 1 1 25 25 ARG HA H 25 4.346 4.346 4.320 0.026 19910 2263 1 5 . 1 1 25 25 ARG C C 25 175.830 175.830 175.505 0.325 19910 2264 1 5 . 1 1 25 25 ARG CA C 25 55.550 55.550 55.974 -0.424 19910 2265 1 5 . 1 1 25 25 ARG CB C 25 30.500 30.500 30.414 0.086 19910 2266 1 5 . 1 1 25 25 ARG H H 25 8.220 8.220 8.662 -0.442 19910 2267 1 5 . 1 1 26 26 VAL N N 26 118.660 118.660 114.167 4.493 19910 2268 1 5 . 1 1 26 26 VAL HA H 26 3.454 3.454 4.397 -0.943 19910 2269 1 5 . 1 1 26 26 VAL C C 26 175.700 175.700 175.635 0.065 19910 2270 1 5 . 1 1 26 26 VAL CA C 26 61.960 61.960 60.075 1.885 19910 2271 1 5 . 1 1 26 26 VAL CB C 26 32.800 32.800 33.828 -1.028 19910 2272 1 5 . 1 1 26 26 VAL H H 26 7.650 7.650 7.342 0.308 19910 2273 1 5 . 1 1 27 27 SER N N 27 116.090 116.090 120.417 -4.327 19910 2274 1 5 . 1 1 27 27 SER HA H 27 4.183 4.183 4.281 -0.098 19910 2275 1 5 . 1 1 27 27 SER C C 27 173.750 173.750 175.121 -1.371 19910 2276 1 5 . 1 1 27 27 SER CA C 27 58.570 58.570 60.379 -1.809 19910 2277 1 5 . 1 1 27 27 SER CB C 27 63.530 63.530 63.398 0.132 19910 2278 1 5 . 1 1 27 27 SER H H 27 8.180 8.180 8.612 -0.432 19910 2279 1 5 . 1 1 28 28 GLU N N 28 120.070 120.070 120.378 -0.308 19910 2280 1 5 . 1 1 28 28 GLU HA H 28 4.203 4.203 4.228 -0.025 19910 2281 1 5 . 1 1 28 28 GLU C C 28 174.790 174.790 175.542 -0.752 19910 2282 1 5 . 1 1 28 28 GLU CA C 28 55.550 55.550 55.361 0.189 19910 2283 1 5 . 1 1 28 28 GLU CB C 28 30.620 30.620 30.678 -0.058 19910 2284 1 5 . 1 1 28 28 GLU H H 28 7.400 7.400 7.821 -0.421 19910 2285 1 5 . 1 1 29 29 PHE N N 29 120.340 120.340 121.992 -1.652 19910 2286 1 5 . 1 1 29 29 PHE HA H 29 4.487 4.487 4.596 -0.109 19910 2287 1 5 . 1 1 29 29 PHE C C 29 174.580 174.580 176.009 -1.429 19910 2288 1 5 . 1 1 29 29 PHE CA C 29 55.790 55.790 54.772 1.018 19910 2289 1 5 . 1 1 29 29 PHE CB C 29 39.690 39.690 39.287 0.403 19910 2290 1 5 . 1 1 29 29 PHE H H 29 7.820 7.820 8.040 -0.220 19910 2291 1 5 . 1 1 30 30 ASP N N 30 123.670 123.670 121.726 1.944 19910 2292 1 5 . 1 1 30 30 ASP HA H 30 4.817 4.817 5.003 -0.186 19910 2293 1 5 . 1 1 30 30 ASP C C 30 174.040 174.040 174.826 -0.786 19910 2294 1 5 . 1 1 30 30 ASP CA C 30 53.850 53.850 53.740 0.110 19910 2295 1 5 . 1 1 30 30 ASP CB C 30 43.450 43.450 42.258 1.192 19910 2296 1 5 . 1 1 30 30 ASP H H 30 8.420 8.420 8.698 -0.278 19910 2297 1 5 . 1 1 31 31 VAL N N 31 123.010 123.010 123.772 -0.762 19910 2298 1 5 . 1 1 31 31 VAL HA H 31 4.768 4.768 5.114 -0.346 19910 2299 1 5 . 1 1 31 31 VAL C C 31 173.980 173.980 175.210 -1.230 19910 2300 1 5 . 1 1 31 31 VAL CA C 31 60.510 60.510 61.292 -0.782 19910 2301 1 5 . 1 1 31 31 VAL CB C 31 34.730 34.730 33.766 0.965 19910 2302 1 5 . 1 1 31 31 VAL H H 31 8.270 8.270 8.591 -0.321 19910 2303 1 5 . 1 1 32 32 TYR N N 32 127.340 127.340 128.150 -0.810 19910 2304 1 5 . 1 1 32 32 TYR HA H 32 4.624 4.624 4.873 -0.249 19910 2305 1 5 . 1 1 32 32 TYR C C 32 172.990 172.990 174.434 -1.444 19910 2306 1 5 . 1 1 32 32 TYR CA C 32 56.520 56.520 56.419 0.101 19910 2307 1 5 . 1 1 32 32 TYR CB C 32 41.870 41.870 39.949 1.921 19910 2308 1 5 . 1 1 32 32 TYR H H 32 8.920 8.920 9.182 -0.262 19910 2309 1 5 . 1 1 33 33 PHE N N 33 121.160 121.160 122.300 -1.140 19910 2310 1 5 . 1 1 33 33 PHE HA H 33 5.106 5.106 6.046 -0.940 19910 2311 1 5 . 1 1 33 33 PHE C C 33 173.100 173.100 174.795 -1.695 19910 2312 1 5 . 1 1 33 33 PHE CA C 33 55.310 55.310 55.079 0.231 19910 2313 1 5 . 1 1 33 33 PHE CB C 33 40.420 40.420 41.705 -1.285 19910 2314 1 5 . 1 1 33 33 PHE H H 33 7.510 7.510 8.738 -1.228 19910 2315 1 5 . 1 1 34 34 GLU N N 34 120.460 120.460 122.131 -1.671 19910 2316 1 5 . 1 1 34 34 GLU HA H 34 4.099 4.099 4.485 -0.386 19910 2317 1 5 . 1 1 34 34 GLU C C 34 175.700 175.700 176.747 -1.047 19910 2318 1 5 . 1 1 34 34 GLU CA C 34 56.640 56.640 54.878 1.762 19910 2319 1 5 . 1 1 34 34 GLU CB C 34 31.340 31.340 30.869 0.471 19910 2320 1 5 . 1 1 34 34 GLU H H 34 8.190 8.190 9.263 -1.073 19910 2321 1 5 . 1 1 35 35 GLY N N 35 117.400 117.400 117.028 0.372 19910 2322 1 5 . 1 1 35 35 GLY C C 35 173.120 173.120 174.623 -1.503 19910 2323 1 5 . 1 1 35 35 GLY CA C 35 47.680 47.680 46.510 1.170 19910 2324 1 5 . 1 1 35 35 GLY H H 35 9.240 9.240 8.724 0.516 19910 2325 1 5 . 1 1 36 36 SER N N 36 122.510 122.510 112.203 10.307 19910 2326 1 5 . 1 1 36 36 SER HA H 36 4.795 4.795 4.015 0.780 19910 2327 1 5 . 1 1 36 36 SER C C 36 172.680 172.680 173.716 -1.036 19910 2328 1 5 . 1 1 36 36 SER CA C 36 57.360 57.360 59.929 -2.569 19910 2329 1 5 . 1 1 36 36 SER CB C 36 64.500 64.500 62.519 1.981 19910 2330 1 5 . 1 1 36 36 SER H H 36 8.930 8.930 8.790 0.140 19910 2331 1 5 . 1 1 37 37 ASP N N 37 123.120 123.120 122.070 1.050 19910 2332 1 5 . 1 1 37 37 ASP HA H 37 5.192 5.192 4.994 0.198 19910 2333 1 5 . 1 1 37 37 ASP C C 37 174.170 174.170 174.064 0.106 19910 2334 1 5 . 1 1 37 37 ASP CA C 37 54.340 54.340 53.894 0.446 19910 2335 1 5 . 1 1 37 37 ASP CB C 37 43.810 43.810 43.104 0.706 19910 2336 1 5 . 1 1 37 37 ASP H H 37 8.600 8.600 7.624 0.976 19910 2337 1 5 . 1 1 38 38 PHE N N 38 122.850 122.850 128.263 -5.413 19910 2338 1 5 . 1 1 38 38 PHE HA H 38 5.053 5.053 5.844 -0.791 19910 2339 1 5 . 1 1 38 38 PHE C C 38 172.810 172.810 173.034 -0.224 19910 2340 1 5 . 1 1 38 38 PHE CA C 38 57.000 57.000 56.208 0.792 19910 2341 1 5 . 1 1 38 38 PHE CB C 38 43.080 43.080 43.062 0.018 19910 2342 1 5 . 1 1 38 38 PHE H H 38 8.340 8.340 8.777 -0.437 19910 2343 1 5 . 1 1 39 39 LYS N N 39 126.630 126.630 127.988 -1.358 19910 2344 1 5 . 1 1 39 39 LYS HA H 39 4.816 4.816 5.140 -0.324 19910 2345 1 5 . 1 1 39 39 LYS C C 39 172.540 172.540 174.345 -1.805 19910 2346 1 5 . 1 1 39 39 LYS CA C 39 54.890 54.890 54.366 0.524 19910 2347 1 5 . 1 1 39 39 LYS CB C 39 36.790 36.790 35.424 1.366 19910 2348 1 5 . 1 1 39 39 LYS H H 39 8.690 8.690 8.896 -0.206 19910 2349 1 5 . 1 1 40 40 PHE N N 40 123.910 123.910 126.437 -2.527 19910 2350 1 5 . 1 1 40 40 PHE HA H 40 4.923 4.923 5.377 -0.454 19910 2351 1 5 . 1 1 40 40 PHE C C 40 171.900 171.900 173.180 -1.280 19910 2352 1 5 . 1 1 40 40 PHE CA C 40 55.910 55.910 55.594 0.315 19910 2353 1 5 . 1 1 40 40 PHE CB C 40 43.450 43.450 42.349 1.101 19910 2354 1 5 . 1 1 40 40 PHE H H 40 8.750 8.750 9.027 -0.277 19910 2355 1 5 . 1 1 41 41 TYR N N 41 126.490 126.490 126.472 0.018 19910 2356 1 5 . 1 1 41 41 TYR HA H 41 4.958 4.958 5.108 -0.150 19910 2357 1 5 . 1 1 41 41 TYR C C 41 173.070 173.070 174.276 -1.206 19910 2358 1 5 . 1 1 41 41 TYR CA C 41 55.670 55.670 55.843 -0.173 19910 2359 1 5 . 1 1 41 41 TYR CB C 41 41.510 41.510 39.918 1.592 19910 2360 1 5 . 1 1 41 41 TYR H H 41 8.450 8.450 9.052 -0.602 19910 2361 1 5 . 1 1 42 42 ALA N N 42 129.720 129.720 124.455 5.265 19910 2362 1 5 . 1 1 42 42 ALA HA H 42 4.024 4.024 4.712 -0.688 19910 2363 1 5 . 1 1 42 42 ALA C C 42 174.350 174.350 176.093 -1.743 19910 2364 1 5 . 1 1 42 42 ALA CA C 42 51.190 51.190 50.706 0.484 19910 2365 1 5 . 1 1 42 42 ALA CB C 42 20.330 20.330 19.624 0.706 19910 2366 1 5 . 1 1 42 42 ALA H H 42 7.970 7.970 8.966 -0.996 19910 2367 1 5 . 1 1 43 43 LYS N N 43 124.250 124.250 118.685 5.565 19910 2368 1 5 . 1 1 43 43 LYS HA H 43 3.634 3.634 4.042 -0.408 19910 2369 1 5 . 1 1 43 43 LYS CA C 43 56.260 56.260 58.198 -1.938 19910 2370 1 5 . 1 1 43 43 LYS CB C 43 32.860 32.860 29.553 3.307 19910 2371 1 5 . 1 1 43 43 LYS H H 43 7.850 7.850 8.248 -0.398 19910 2372 1 5 . 1 1 44 44 PRO HA H 44 4.487 4.487 4.405 0.082 19910 2373 1 5 . 1 1 44 44 PRO C C 44 173.980 173.980 175.596 -1.616 19910 2374 1 5 . 1 1 44 44 PRO CA C 44 64.380 64.380 63.872 0.508 19910 2375 1 5 . 1 1 44 44 PRO CB C 44 34.010 34.010 32.050 1.960 19910 2376 1 5 . 1 1 45 45 TYR N N 45 126.840 126.840 119.538 7.302 19910 2377 1 5 . 1 1 45 45 TYR HA H 45 5.274 5.274 4.705 0.569 19910 2378 1 5 . 1 1 45 45 TYR C C 45 175.290 175.290 174.006 1.284 19910 2379 1 5 . 1 1 45 45 TYR CA C 45 58.330 58.330 56.387 1.943 19910 2380 1 5 . 1 1 45 45 TYR CB C 45 40.300 40.300 39.230 1.070 19910 2381 1 5 . 1 1 45 45 TYR H H 45 9.360 9.360 7.475 1.885 19910 2382 1 5 . 1 1 46 46 PHE N N 46 121.470 121.470 125.558 -4.088 19910 2383 1 5 . 1 1 46 46 PHE HA H 46 5.422 5.422 5.447 -0.025 19910 2384 1 5 . 1 1 46 46 PHE C C 46 173.180 173.180 173.796 -0.616 19910 2385 1 5 . 1 1 46 46 PHE CA C 46 56.520 56.520 54.889 1.631 19910 2386 1 5 . 1 1 46 46 PHE CB C 46 43.930 43.930 41.561 2.369 19910 2387 1 5 . 1 1 46 46 PHE H H 46 8.870 8.870 8.911 -0.041 19910 2388 1 5 . 1 1 47 47 LEU N N 47 129.700 129.700 130.505 -0.805 19910 2389 1 5 . 1 1 47 47 LEU HA H 47 4.565 4.565 4.426 0.139 19910 2390 1 5 . 1 1 47 47 LEU C C 47 171.770 171.770 174.532 -2.762 19910 2391 1 5 . 1 1 47 47 LEU CA C 47 53.130 53.130 53.738 -0.608 19910 2392 1 5 . 1 1 47 47 LEU CB C 47 47.560 47.560 44.657 2.903 19910 2393 1 5 . 1 1 47 47 LEU H H 47 8.850 8.850 9.457 -0.607 19910 2394 1 5 . 1 1 48 48 ARG N N 48 127.760 127.760 127.499 0.261 19910 2395 1 5 . 1 1 48 48 ARG HA H 48 5.283 5.283 4.968 0.316 19910 2396 1 5 . 1 1 48 48 ARG C C 48 174.090 174.090 174.659 -0.569 19910 2397 1 5 . 1 1 48 48 ARG CA C 48 54.100 54.100 54.837 -0.737 19910 2398 1 5 . 1 1 48 48 ARG CB C 48 33.160 33.160 30.966 2.194 19910 2399 1 5 . 1 1 48 48 ARG H H 48 8.620 8.620 8.226 0.394 19910 2400 1 5 . 1 1 49 49 LEU N N 49 122.890 122.890 128.643 -5.753 19910 2401 1 5 . 1 1 49 49 LEU HA H 49 4.855 4.855 4.819 0.036 19910 2402 1 5 . 1 1 49 49 LEU C C 49 175.880 175.880 175.399 0.481 19910 2403 1 5 . 1 1 49 49 LEU CA C 49 52.880 52.880 53.984 -1.104 19910 2404 1 5 . 1 1 49 49 LEU CB C 49 47.800 47.800 46.028 1.772 19910 2405 1 5 . 1 1 49 49 LEU H H 49 8.970 8.970 9.031 -0.061 19910 2406 1 5 . 1 1 50 50 THR N N 50 118.610 118.610 116.806 1.804 19910 2407 1 5 . 1 1 50 50 THR HA H 50 4.862 4.862 4.974 -0.112 19910 2408 1 5 . 1 1 50 50 THR C C 50 174.610 174.610 174.550 0.060 19910 2409 1 5 . 1 1 50 50 THR CA C 50 61.110 61.110 61.075 0.035 19910 2410 1 5 . 1 1 50 50 THR CB C 50 69.220 69.220 69.377 -0.157 19910 2411 1 5 . 1 1 50 50 THR H H 50 8.670 8.670 8.315 0.355 19910 2412 1 5 . 1 1 51 51 LEU N N 51 126.300 126.300 127.882 -1.582 19910 2413 1 5 . 1 1 51 51 LEU HA H 51 4.302 4.302 4.307 -0.005 19910 2414 1 5 . 1 1 51 51 LEU CA C 51 52.650 52.650 53.625 -0.975 19910 2415 1 5 . 1 1 51 51 LEU CB C 51 41.950 41.950 41.584 0.366 19910 2416 1 5 . 1 1 51 51 LEU H H 51 9.540 9.540 8.545 0.995 19910 2417 1 5 . 1 1 52 52 PRO HA H 52 4.401 4.401 4.231 0.170 19910 2418 1 5 . 1 1 52 52 PRO C C 52 174.240 174.240 176.341 -2.101 19910 2419 1 5 . 1 1 52 52 PRO CA C 52 62.690 62.690 63.666 -0.976 19910 2420 1 5 . 1 1 52 52 PRO CB C 52 30.620 30.620 31.865 -1.245 19910 2421 1 5 . 1 1 53 53 GLY N N 53 105.990 105.990 105.206 0.784 19910 2422 1 5 . 1 1 53 53 GLY C C 53 170.520 170.520 172.717 -2.197 19910 2423 1 5 . 1 1 53 53 GLY CA C 53 43.450 43.450 44.140 -0.690 19910 2424 1 5 . 1 1 53 53 GLY H H 53 6.550 6.550 6.616 -0.066 19910 2425 1 5 . 1 1 54 54 ARG N N 54 115.660 115.660 118.278 -2.618 19910 2426 1 5 . 1 1 54 54 ARG HA H 54 4.347 4.347 4.919 -0.572 19910 2427 1 5 . 1 1 54 54 ARG C C 54 176.940 176.940 174.805 2.135 19910 2428 1 5 . 1 1 54 54 ARG CA C 54 55.890 55.890 54.729 1.161 19910 2429 1 5 . 1 1 54 54 ARG CB C 54 32.310 32.310 33.701 -1.391 19910 2430 1 5 . 1 1 54 54 ARG H H 54 8.210 8.210 8.571 -0.361 19910 2431 1 5 . 1 1 55 55 ILE N N 55 118.910 118.910 123.379 -4.469 19910 2432 1 5 . 1 1 55 55 ILE HA H 55 5.003 5.003 4.614 0.389 19910 2433 1 5 . 1 1 55 55 ILE C C 55 175.310 175.310 176.004 -0.694 19910 2434 1 5 . 1 1 55 55 ILE CA C 55 58.500 58.500 58.360 0.140 19910 2435 1 5 . 1 1 55 55 ILE CB C 55 40.950 40.950 39.172 1.778 19910 2436 1 5 . 1 1 55 55 ILE H H 55 8.640 8.640 8.722 -0.082 19910 2437 1 5 . 1 1 56 56 VAL N N 56 118.140 118.140 126.760 -8.620 19910 2438 1 5 . 1 1 56 56 VAL HA H 56 4.438 4.438 3.968 0.470 19910 2439 1 5 . 1 1 56 56 VAL C C 56 172.920 172.920 175.481 -2.561 19910 2440 1 5 . 1 1 56 56 VAL CA C 56 60.510 60.510 63.204 -2.694 19910 2441 1 5 . 1 1 56 56 VAL CB C 56 34.850 34.850 32.891 1.959 19910 2442 1 5 . 1 1 56 56 VAL H H 56 8.330 8.330 8.044 0.286 19910 2443 1 5 . 1 1 57 57 GLU N N 57 123.300 123.300 126.802 -3.502 19910 2444 1 5 . 1 1 57 57 GLU HA H 57 4.358 4.358 4.622 -0.264 19910 2445 1 5 . 1 1 57 57 GLU C C 57 176.350 176.350 175.449 0.901 19910 2446 1 5 . 1 1 57 57 GLU CA C 57 55.890 55.890 56.184 -0.294 19910 2447 1 5 . 1 1 57 57 GLU CB C 57 29.880 29.880 30.156 -0.276 19910 2448 1 5 . 1 1 57 57 GLU H H 57 8.380 8.380 8.856 -0.476 19910 2449 1 5 . 1 1 58 58 ASN N N 58 121.570 121.570 122.487 -0.917 19910 2450 1 5 . 1 1 58 58 ASN HA H 58 4.764 4.764 4.819 -0.055 19910 2451 1 5 . 1 1 58 58 ASN C C 58 176.120 176.120 175.327 0.793 19910 2452 1 5 . 1 1 58 58 ASN CA C 58 52.760 52.760 53.919 -1.159 19910 2453 1 5 . 1 1 58 58 ASN CB C 58 38.970 38.970 39.623 -0.653 19910 2454 1 5 . 1 1 58 58 ASN H H 58 8.360 8.360 9.009 -0.649 19910 2455 1 5 . 1 1 59 59 GLY N N 59 112.050 112.050 107.528 4.522 19910 2456 1 5 . 1 1 59 59 GLY C C 59 174.840 174.840 173.951 0.889 19910 2457 1 5 . 1 1 59 59 GLY CA C 59 45.380 45.380 45.181 0.199 19910 2458 1 5 . 1 1 59 59 GLY H H 59 9.350 9.350 8.849 0.501 19910 2459 1 5 . 1 1 60 60 SER N N 60 115.430 115.430 115.695 -0.265 19910 2460 1 5 . 1 1 60 60 SER HA H 60 4.536 4.536 4.659 -0.123 19910 2461 1 5 . 1 1 60 60 SER C C 60 174.140 174.140 174.894 -0.754 19910 2462 1 5 . 1 1 60 60 SER CA C 60 58.810 58.810 58.188 0.622 19910 2463 1 5 . 1 1 60 60 SER CB C 60 64.140 64.140 63.382 0.758 19910 2464 1 5 . 1 1 60 60 SER H H 60 8.350 8.350 8.308 0.042 19910 2465 1 5 . 1 1 61 61 GLU N N 61 122.950 122.950 120.630 2.320 19910 2466 1 5 . 1 1 61 61 GLU HA H 61 4.525 4.525 4.358 0.167 19910 2467 1 5 . 1 1 61 61 GLU C C 61 175.550 175.550 175.574 -0.024 19910 2468 1 5 . 1 1 61 61 GLU CA C 61 56.520 56.520 56.172 0.347 19910 2469 1 5 . 1 1 61 61 GLU CB C 61 29.530 29.530 30.091 -0.561 19910 2470 1 5 . 1 1 61 61 GLU H H 61 8.910 8.910 7.793 1.117 19910 2471 1 5 . 1 1 62 62 GLN N N 62 120.280 120.280 117.959 2.321 19910 2472 1 5 . 1 1 62 62 GLN HA H 62 4.601 4.601 4.562 0.039 19910 2473 1 5 . 1 1 62 62 GLN C C 62 175.700 175.700 174.418 1.282 19910 2474 1 5 . 1 1 62 62 GLN CA C 62 55.430 55.430 55.081 0.349 19910 2475 1 5 . 1 1 62 62 GLN CB C 62 31.340 31.340 32.717 -1.377 19910 2476 1 5 . 1 1 62 62 GLN H H 62 8.310 8.310 8.316 -0.006 19910 2477 1 5 . 1 1 63 63 GLY N N 63 111.400 111.400 109.986 1.414 19910 2478 1 5 . 1 1 63 63 GLY C C 63 172.550 172.550 173.037 -0.487 19910 2479 1 5 . 1 1 63 63 GLY CA C 63 44.690 44.690 45.018 -0.328 19910 2480 1 5 . 1 1 63 63 GLY H H 63 8.880 8.880 8.297 0.583 19910 2481 1 5 . 1 1 64 64 SER N N 64 115.080 115.080 117.651 -2.571 19910 2482 1 5 . 1 1 64 64 SER HA H 64 4.629 4.629 4.676 -0.047 19910 2483 1 5 . 1 1 64 64 SER C C 64 171.770 171.770 172.429 -0.659 19910 2484 1 5 . 1 1 64 64 SER CA C 64 57.120 57.120 58.589 -1.469 19910 2485 1 5 . 1 1 64 64 SER CB C 64 65.230 65.230 64.994 0.236 19910 2486 1 5 . 1 1 64 64 SER H H 64 8.280 8.280 8.799 -0.519 19910 2487 1 5 . 1 1 65 65 TYR N N 65 124.640 124.640 128.833 -4.193 19910 2488 1 5 . 1 1 65 65 TYR HA H 65 5.198 5.198 5.178 0.020 19910 2489 1 5 . 1 1 65 65 TYR C C 65 173.640 173.640 174.848 -1.208 19910 2490 1 5 . 1 1 65 65 TYR CA C 65 55.670 55.670 56.075 -0.405 19910 2491 1 5 . 1 1 65 65 TYR CB C 65 40.900 40.900 39.634 1.266 19910 2492 1 5 . 1 1 65 65 TYR H H 65 8.980 8.980 8.735 0.245 19910 2493 1 5 . 1 1 66 66 ASP N N 66 128.570 128.570 128.177 0.393 19910 2494 1 5 . 1 1 66 66 ASP HA H 66 4.532 4.532 4.810 -0.278 19910 2495 1 5 . 1 1 66 66 ASP C C 66 175.340 175.340 175.179 0.161 19910 2496 1 5 . 1 1 66 66 ASP CA C 66 51.800 51.800 53.329 -1.529 19910 2497 1 5 . 1 1 66 66 ASP CB C 66 41.510 41.510 43.734 -2.224 19910 2498 1 5 . 1 1 66 66 ASP H H 66 8.000 8.000 8.581 -0.581 19910 2499 1 5 . 1 1 67 67 ALA N N 67 127.520 127.520 128.440 -0.920 19910 2500 1 5 . 1 1 67 67 ALA HA H 67 3.597 3.597 3.900 -0.303 19910 2501 1 5 . 1 1 67 67 ALA C C 67 178.770 178.770 177.907 0.863 19910 2502 1 5 . 1 1 67 67 ALA CA C 67 53.850 53.850 54.056 -0.206 19910 2503 1 5 . 1 1 67 67 ALA CB C 67 18.640 18.640 18.922 -0.282 19910 2504 1 5 . 1 1 67 67 ALA H H 67 8.460 8.460 8.543 -0.083 19910 2505 1 5 . 1 1 68 68 ASP N N 68 117.850 117.850 118.219 -0.369 19910 2506 1 5 . 1 1 68 68 ASP HA H 68 4.340 4.340 4.365 -0.025 19910 2507 1 5 . 1 1 68 68 ASP C C 68 177.780 177.780 177.615 0.165 19910 2508 1 5 . 1 1 68 68 ASP CA C 68 56.760 56.760 56.513 0.247 19910 2509 1 5 . 1 1 68 68 ASP CB C 68 40.900 40.900 40.831 0.069 19910 2510 1 5 . 1 1 68 68 ASP H H 68 7.980 7.980 8.473 -0.493 19910 2511 1 5 . 1 1 69 69 LYS N N 69 115.790 115.790 117.379 -1.589 19910 2512 1 5 . 1 1 69 69 LYS HA H 69 4.119 4.119 4.338 -0.219 19910 2513 1 5 . 1 1 69 69 LYS C C 69 177.130 177.130 177.265 -0.135 19910 2514 1 5 . 1 1 69 69 LYS CA C 69 56.150 56.150 56.173 -0.023 19910 2515 1 5 . 1 1 69 69 LYS CB C 69 34.010 34.010 33.033 0.977 19910 2516 1 5 . 1 1 69 69 LYS H H 69 7.390 7.390 8.035 -0.645 19910 2517 1 5 . 1 1 70 70 GLY N N 70 110.040 110.040 109.711 0.329 19910 2518 1 5 . 1 1 70 70 GLY C C 70 174.040 174.040 173.635 0.405 19910 2519 1 5 . 1 1 70 70 GLY CA C 70 46.830 46.830 45.807 1.022 19910 2520 1 5 . 1 1 70 70 GLY H H 70 8.030 8.030 7.710 0.320 19910 2521 1 5 . 1 1 71 71 ILE N N 71 115.810 115.810 118.288 -2.478 19910 2522 1 5 . 1 1 71 71 ILE HA H 71 4.861 4.861 4.739 0.122 19910 2523 1 5 . 1 1 71 71 ILE C C 71 175.520 175.520 173.864 1.656 19910 2524 1 5 . 1 1 71 71 ILE CA C 71 59.420 59.420 60.371 -0.951 19910 2525 1 5 . 1 1 71 71 ILE CB C 71 42.240 42.240 42.541 -0.301 19910 2526 1 5 . 1 1 71 71 ILE H H 71 6.990 6.990 7.968 -0.979 19910 2527 1 5 . 1 1 72 72 PHE N N 72 132.630 132.630 127.537 5.093 19910 2528 1 5 . 1 1 72 72 PHE HA H 72 5.377 5.377 5.410 -0.033 19910 2529 1 5 . 1 1 72 72 PHE C C 72 173.310 173.310 173.789 -0.479 19910 2530 1 5 . 1 1 72 72 PHE CA C 72 56.150 56.150 54.652 1.498 19910 2531 1 5 . 1 1 72 72 PHE CB C 72 41.630 41.630 41.855 -0.225 19910 2532 1 5 . 1 1 72 72 PHE H H 72 9.720 9.720 9.010 0.710 19910 2533 1 5 . 1 1 73 73 THR N N 73 124.190 124.190 124.051 0.139 19910 2534 1 5 . 1 1 73 73 THR HA H 73 5.047 5.047 5.090 -0.043 19910 2535 1 5 . 1 1 73 73 THR C C 73 172.660 172.660 172.892 -0.232 19910 2536 1 5 . 1 1 73 73 THR CA C 73 61.480 61.480 60.256 1.224 19910 2537 1 5 . 1 1 73 73 THR CB C 73 69.950 69.950 70.303 -0.353 19910 2538 1 5 . 1 1 73 73 THR H H 73 8.610 8.610 8.894 -0.284 19910 2539 1 5 . 1 1 74 74 ILE N N 74 125.780 125.780 125.457 0.323 19910 2540 1 5 . 1 1 74 74 ILE HA H 74 4.557 4.557 5.072 -0.515 19910 2541 1 5 . 1 1 74 74 ILE C C 74 171.480 171.480 173.511 -2.031 19910 2542 1 5 . 1 1 74 74 ILE CA C 74 59.060 59.060 59.550 -0.490 19910 2543 1 5 . 1 1 74 74 ILE CB C 74 41.510 41.510 41.857 -0.347 19910 2544 1 5 . 1 1 74 74 ILE H H 74 8.850 8.850 8.057 0.793 19910 2545 1 5 . 1 1 75 75 ARG N N 75 127.330 127.330 127.756 -0.426 19910 2546 1 5 . 1 1 75 75 ARG HA H 75 4.859 4.859 4.594 0.265 19910 2547 1 5 . 1 1 75 75 ARG C C 75 174.790 174.790 174.642 0.148 19910 2548 1 5 . 1 1 75 75 ARG CA C 75 54.460 54.460 54.819 -0.359 19910 2549 1 5 . 1 1 75 75 ARG CB C 75 31.460 31.460 31.638 -0.178 19910 2550 1 5 . 1 1 75 75 ARG H H 75 8.320 8.320 8.268 0.052 19910 2551 1 5 . 1 1 76 76 LEU N N 76 125.120 125.120 121.501 3.619 19910 2552 1 5 . 1 1 76 76 LEU HA H 76 4.819 4.819 4.844 -0.025 19910 2553 1 5 . 1 1 76 76 LEU CA C 76 50.530 50.530 51.531 -1.001 19910 2554 1 5 . 1 1 76 76 LEU CB C 76 43.070 43.070 44.644 -1.574 19910 2555 1 5 . 1 1 76 76 LEU H H 76 9.300 9.300 8.252 1.048 19910 2556 1 5 . 1 1 77 77 PRO HA H 77 4.114 4.114 4.562 -0.448 19910 2557 1 5 . 1 1 77 77 PRO C C 77 176.430 176.430 176.739 -0.309 19910 2558 1 5 . 1 1 77 77 PRO CA C 77 62.080 62.080 62.056 0.024 19910 2559 1 5 . 1 1 77 77 PRO CB C 77 31.220 31.220 32.301 -1.081 19910 2560 1 5 . 1 1 78 78 LYS N N 78 122.800 122.800 121.299 1.501 19910 2561 1 5 . 1 1 78 78 LYS HA H 78 4.062 4.062 4.481 -0.419 19910 2562 1 5 . 1 1 78 78 LYS C C 78 176.590 176.590 176.760 -0.170 19910 2563 1 5 . 1 1 78 78 LYS CA C 78 57.730 57.730 55.302 2.428 19910 2564 1 5 . 1 1 78 78 LYS CB C 78 32.800 32.800 33.619 -0.819 19910 2565 1 5 . 1 1 78 78 LYS H H 78 7.790 7.790 7.771 0.019 19910 2566 1 5 . 1 1 79 79 GLU N N 79 124.540 124.540 122.500 2.040 19910 2567 1 5 . 1 1 79 79 GLU HA H 79 3.689 3.689 4.306 -0.617 19910 2568 1 5 . 1 1 79 79 GLU C C 79 176.300 176.300 176.474 -0.174 19910 2569 1 5 . 1 1 79 79 GLU CA C 79 59.420 59.420 57.886 1.534 19910 2570 1 5 . 1 1 79 79 GLU CB C 79 30.500 30.500 30.390 0.110 19910 2571 1 5 . 1 1 79 79 GLU H H 79 8.520 8.520 8.651 -0.131 19910 2572 1 5 . 1 1 80 80 THR N N 80 115.960 115.960 117.016 -1.056 19910 2573 1 5 . 1 1 80 80 THR HA H 80 4.485 4.485 4.772 -0.287 19910 2574 1 5 . 1 1 80 80 THR CA C 80 59.120 59.120 59.623 -0.503 19910 2575 1 5 . 1 1 80 80 THR CB C 80 69.330 69.330 70.062 -0.732 19910 2576 1 5 . 1 1 80 80 THR H H 80 9.070 9.070 7.838 1.232 19910 2577 1 5 . 1 1 81 81 PRO HA H 81 4.070 4.070 4.245 -0.175 19910 2578 1 5 . 1 1 81 81 PRO C C 81 177.860 177.860 178.272 -0.412 19910 2579 1 5 . 1 1 81 81 PRO CA C 81 63.900 63.900 62.990 0.910 19910 2580 1 5 . 1 1 81 81 PRO CB C 81 31.460 31.460 32.011 -0.551 19910 2581 1 5 . 1 1 82 82 GLY N N 82 113.580 113.580 111.511 2.069 19910 2582 1 5 . 1 1 82 82 GLY C C 82 174.870 174.870 174.102 0.768 19910 2583 1 5 . 1 1 82 82 GLY CA C 82 45.140 45.140 44.904 0.236 19910 2584 1 5 . 1 1 82 82 GLY H H 82 9.150 9.150 8.413 0.737 19910 2585 1 5 . 1 1 83 83 GLN N N 83 122.820 122.820 120.265 2.555 19910 2586 1 5 . 1 1 83 83 GLN HA H 83 4.159 4.159 4.373 -0.214 19910 2587 1 5 . 1 1 83 83 GLN C C 83 175.180 175.180 174.697 0.483 19910 2588 1 5 . 1 1 83 83 GLN CA C 83 56.390 56.390 55.623 0.767 19910 2589 1 5 . 1 1 83 83 GLN CB C 83 29.410 29.410 30.090 -0.680 19910 2590 1 5 . 1 1 83 83 GLN H H 83 7.960 7.960 7.562 0.398 19910 2591 1 5 . 1 1 84 84 HIS N N 84 131.340 131.340 124.252 7.088 19910 2592 1 5 . 1 1 84 84 HIS HA H 84 4.299 4.299 4.782 -0.483 19910 2593 1 5 . 1 1 84 84 HIS C C 84 175.300 175.300 174.258 1.042 19910 2594 1 5 . 1 1 84 84 HIS CA C 84 56.640 56.640 54.688 1.952 19910 2595 1 5 . 1 1 84 84 HIS CB C 84 30.980 30.980 32.465 -1.485 19910 2596 1 5 . 1 1 84 84 HIS H H 84 9.220 9.220 8.651 0.569 19910 2597 1 5 . 1 1 85 85 PHE N N 85 130.320 130.320 126.170 4.150 19910 2598 1 5 . 1 1 85 85 PHE HA H 85 4.722 4.722 4.522 0.200 19910 2599 1 5 . 1 1 85 85 PHE C C 85 174.890 174.890 175.207 -0.317 19910 2600 1 5 . 1 1 85 85 PHE CA C 85 54.580 54.580 54.882 -0.302 19910 2601 1 5 . 1 1 85 85 PHE CB C 85 36.430 36.430 37.388 -0.958 19910 2602 1 5 . 1 1 85 85 PHE H H 85 9.130 9.130 8.585 0.545 19910 2603 1 5 . 1 1 86 86 GLU N N 86 126.010 126.010 123.723 2.287 19910 2604 1 5 . 1 1 86 86 GLU HA H 86 4.199 4.199 4.209 -0.010 19910 2605 1 5 . 1 1 86 86 GLU C C 86 177.000 177.000 177.485 -0.485 19910 2606 1 5 . 1 1 86 86 GLU CA C 86 55.910 55.910 56.770 -0.860 19910 2607 1 5 . 1 1 86 86 GLU CB C 86 30.620 30.620 30.655 -0.035 19910 2608 1 5 . 1 1 86 86 GLU H H 86 8.900 8.900 7.916 0.984 19910 2609 1 5 . 1 1 87 87 GLY N N 87 108.540 108.540 109.636 -1.096 19910 2610 1 5 . 1 1 87 87 GLY C C 87 177.370 177.370 175.199 2.171 19910 2611 1 5 . 1 1 87 87 GLY CA C 87 46.590 46.590 46.120 0.470 19910 2612 1 5 . 1 1 87 87 GLY H H 87 8.610 8.610 8.825 -0.215 19910 2613 1 5 . 1 1 88 88 LEU N N 88 119.830 119.830 120.463 -0.633 19910 2614 1 5 . 1 1 88 88 LEU HA H 88 3.775 3.775 4.038 -0.263 19910 2615 1 5 . 1 1 88 88 LEU C C 88 177.500 177.500 178.336 -0.836 19910 2616 1 5 . 1 1 88 88 LEU CA C 88 57.850 57.850 57.485 0.365 19910 2617 1 5 . 1 1 88 88 LEU CB C 88 40.780 40.780 42.062 -1.282 19910 2618 1 5 . 1 1 88 88 LEU H H 88 8.370 8.370 8.065 0.305 19910 2619 1 5 . 1 1 89 89 ASN N N 89 112.390 112.390 115.462 -3.072 19910 2620 1 5 . 1 1 89 89 ASN HA H 89 4.524 4.524 4.670 -0.146 19910 2621 1 5 . 1 1 89 89 ASN C C 89 175.440 175.440 175.029 0.411 19910 2622 1 5 . 1 1 89 89 ASN CA C 89 54.340 54.340 54.276 0.064 19910 2623 1 5 . 1 1 89 89 ASN CB C 89 37.030 37.030 38.270 -1.240 19910 2624 1 5 . 1 1 89 89 ASN H H 89 8.470 8.470 8.353 0.117 19910 2625 1 5 . 1 1 90 90 MET N N 90 117.460 117.460 116.808 0.652 19910 2626 1 5 . 1 1 90 90 MET HA H 90 4.626 4.626 4.456 0.170 19910 2627 1 5 . 1 1 90 90 MET C C 90 176.040 176.040 176.743 -0.703 19910 2628 1 5 . 1 1 90 90 MET CA C 90 54.340 54.340 55.889 -1.548 19910 2629 1 5 . 1 1 90 90 MET CB C 90 32.550 32.550 33.892 -1.343 19910 2630 1 5 . 1 1 90 90 MET H H 90 7.460 7.460 7.242 0.218 19910 2631 1 5 . 1 1 91 91 LEU N N 91 121.330 121.330 121.005 0.325 19910 2632 1 5 . 1 1 91 91 LEU HA H 91 4.277 4.277 4.118 0.159 19910 2633 1 5 . 1 1 91 91 LEU C C 91 176.870 176.870 176.607 0.263 19910 2634 1 5 . 1 1 91 91 LEU CA C 91 56.390 56.390 56.172 0.218 19910 2635 1 5 . 1 1 91 91 LEU CB C 91 42.480 42.480 42.449 0.031 19910 2636 1 5 . 1 1 91 91 LEU H H 91 7.280 7.280 8.031 -0.751 19910 2637 1 5 . 1 1 92 92 THR N N 92 113.970 113.970 114.097 -0.127 19910 2638 1 5 . 1 1 92 92 THR HA H 92 4.582 4.582 4.522 0.060 19910 2639 1 5 . 1 1 92 92 THR C C 92 173.180 173.180 173.380 -0.200 19910 2640 1 5 . 1 1 92 92 THR CA C 92 60.390 60.390 60.833 -0.443 19910 2641 1 5 . 1 1 92 92 THR CB C 92 71.160 71.160 69.736 1.424 19910 2642 1 5 . 1 1 92 92 THR H H 92 8.110 8.110 8.018 0.092 19910 2643 1 5 . 1 1 93 93 ALA N N 93 124.650 124.650 124.149 0.501 19910 2644 1 5 . 1 1 93 93 ALA HA H 93 4.245 4.245 4.737 -0.492 19910 2645 1 5 . 1 1 93 93 ALA C C 93 177.650 177.650 177.277 0.373 19910 2646 1 5 . 1 1 93 93 ALA CA C 93 52.640 52.640 51.320 1.320 19910 2647 1 5 . 1 1 93 93 ALA CB C 93 19.670 19.670 19.910 -0.240 19910 2648 1 5 . 1 1 93 93 ALA H H 93 8.430 8.430 8.276 0.154 19910 2649 1 5 . 1 1 94 94 LEU N N 94 123.150 123.150 120.879 2.271 19910 2650 1 5 . 1 1 94 94 LEU HA H 94 4.450 4.450 4.736 -0.286 19910 2651 1 5 . 1 1 94 94 LEU C C 94 177.420 177.420 176.319 1.101 19910 2652 1 5 . 1 1 94 94 LEU CA C 94 54.940 54.940 54.324 0.616 19910 2653 1 5 . 1 1 94 94 LEU CB C 94 42.480 42.480 42.437 0.043 19910 2654 1 5 . 1 1 94 94 LEU H H 94 8.450 8.450 8.284 0.166 19910 2655 1 5 . 1 1 95 95 LEU N N 95 124.390 124.390 126.275 -1.885 19910 2656 1 5 . 1 1 95 95 LEU HA H 95 4.409 4.409 4.528 -0.119 19910 2657 1 5 . 1 1 95 95 LEU C C 95 175.990 175.990 177.294 -1.304 19910 2658 1 5 . 1 1 95 95 LEU CA C 95 55.060 55.060 54.722 0.338 19910 2659 1 5 . 1 1 95 95 LEU CB C 95 42.360 42.360 41.451 0.909 19910 2660 1 5 . 1 1 95 95 LEU H H 95 8.380 8.380 8.619 -0.239 19910 2661 1 6 . 1 1 2 2 LEU N N 2 123.170 123.170 125.472 -2.302 19910 2662 1 6 . 1 1 2 2 LEU HA H 2 4.588 4.588 4.713 -0.125 19910 2663 1 6 . 1 1 2 2 LEU C C 2 176.260 176.260 176.820 -0.560 19910 2664 1 6 . 1 1 2 2 LEU CA C 2 53.730 53.730 54.614 -0.884 19910 2665 1 6 . 1 1 2 2 LEU CB C 2 44.290 44.290 43.096 1.194 19910 2666 1 6 . 1 1 2 2 LEU H H 2 8.690 8.690 8.456 0.234 19910 2667 1 6 . 1 1 3 3 THR N N 3 120.960 120.960 117.592 3.368 19910 2668 1 6 . 1 1 3 3 THR HA H 3 5.193 5.193 4.335 0.858 19910 2669 1 6 . 1 1 3 3 THR CA C 3 59.990 59.990 60.213 -0.223 19910 2670 1 6 . 1 1 3 3 THR CB C 3 69.950 69.950 69.548 0.402 19910 2671 1 6 . 1 1 3 3 THR H H 3 8.850 8.850 8.319 0.531 19910 2672 1 6 . 1 1 4 4 PRO HA H 4 4.718 4.718 4.323 0.395 19910 2673 1 6 . 1 1 4 4 PRO C C 4 175.870 175.870 175.860 0.010 19910 2674 1 6 . 1 1 4 4 PRO CA C 4 62.080 62.080 63.237 -1.157 19910 2675 1 6 . 1 1 4 4 PRO CB C 4 31.950 31.950 31.923 0.027 19910 2676 1 6 . 1 1 5 5 ALA N N 5 122.560 122.560 126.923 -4.363 19910 2677 1 6 . 1 1 5 5 ALA HA H 5 4.348 4.348 4.555 -0.207 19910 2678 1 6 . 1 1 5 5 ALA C C 5 176.360 176.360 176.882 -0.522 19910 2679 1 6 . 1 1 5 5 ALA CA C 5 52.280 52.280 50.971 1.309 19910 2680 1 6 . 1 1 5 5 ALA CB C 5 18.880 18.880 18.470 0.410 19910 2681 1 6 . 1 1 5 5 ALA H H 5 8.400 8.400 8.313 0.087 19910 2682 1 6 . 1 1 6 6 PHE N N 6 115.160 115.160 119.480 -4.320 19910 2683 1 6 . 1 1 6 6 PHE HA H 6 5.537 5.537 4.799 0.738 19910 2684 1 6 . 1 1 6 6 PHE C C 6 172.590 172.590 174.720 -2.130 19910 2685 1 6 . 1 1 6 6 PHE CA C 6 55.430 55.430 57.011 -1.581 19910 2686 1 6 . 1 1 6 6 PHE CB C 6 42.240 42.240 40.425 1.815 19910 2687 1 6 . 1 1 6 6 PHE H H 6 7.740 7.740 8.000 -0.260 19910 2688 1 6 . 1 1 7 7 ASP N N 7 118.960 118.960 119.242 -0.282 19910 2689 1 6 . 1 1 7 7 ASP HA H 7 4.813 4.813 4.448 0.365 19910 2690 1 6 . 1 1 7 7 ASP C C 7 174.530 174.530 173.866 0.664 19910 2691 1 6 . 1 1 7 7 ASP CA C 7 53.370 53.370 53.681 -0.311 19910 2692 1 6 . 1 1 7 7 ASP CB C 7 45.380 45.380 44.929 0.451 19910 2693 1 6 . 1 1 7 7 ASP H H 7 8.910 8.910 8.747 0.163 19910 2694 1 6 . 1 1 8 8 LEU N N 8 123.470 123.470 121.116 2.354 19910 2695 1 6 . 1 1 8 8 LEU HA H 8 5.284 5.284 4.524 0.760 19910 2696 1 6 . 1 1 8 8 LEU C C 8 175.420 175.420 176.069 -0.649 19910 2697 1 6 . 1 1 8 8 LEU CA C 8 53.850 53.850 53.669 0.181 19910 2698 1 6 . 1 1 8 8 LEU CB C 8 45.620 45.620 43.740 1.880 19910 2699 1 6 . 1 1 8 8 LEU H H 8 8.750 8.750 8.203 0.547 19910 2700 1 6 . 1 1 9 9 SER N N 9 115.920 115.920 117.569 -1.649 19910 2701 1 6 . 1 1 9 9 SER HA H 9 4.486 4.486 4.767 -0.281 19910 2702 1 6 . 1 1 9 9 SER C C 9 171.680 171.680 172.858 -1.178 19910 2703 1 6 . 1 1 9 9 SER CA C 9 57.000 57.000 56.804 0.195 19910 2704 1 6 . 1 1 9 9 SER CB C 9 65.590 65.590 65.782 -0.193 19910 2705 1 6 . 1 1 9 9 SER H H 9 8.860 8.860 8.502 0.358 19910 2706 1 6 . 1 1 10 10 GLN N N 10 115.230 115.230 122.563 -7.333 19910 2707 1 6 . 1 1 10 10 GLN HA H 10 5.375 5.375 4.717 0.658 19910 2708 1 6 . 1 1 10 10 GLN C C 10 172.130 172.130 173.533 -1.403 19910 2709 1 6 . 1 1 10 10 GLN CA C 10 54.270 54.270 53.993 0.277 19910 2710 1 6 . 1 1 10 10 GLN CB C 10 32.990 32.990 31.616 1.374 19910 2711 1 6 . 1 1 10 10 GLN H H 10 8.800 8.800 8.195 0.605 19910 2712 1 6 . 1 1 11 11 ASP N N 11 124.270 124.270 122.718 1.552 19910 2713 1 6 . 1 1 11 11 ASP HA H 11 4.768 4.768 4.983 -0.215 19910 2714 1 6 . 1 1 11 11 ASP CA C 11 52.530 52.530 51.254 1.276 19910 2715 1 6 . 1 1 11 11 ASP CB C 11 42.200 42.200 44.280 -2.080 19910 2716 1 6 . 1 1 11 11 ASP H H 11 8.680 8.680 8.688 -0.008 19910 2717 1 6 . 1 1 12 12 PRO HA H 12 4.050 4.050 4.540 -0.490 19910 2718 1 6 . 1 1 12 12 PRO C C 12 175.290 175.290 175.535 -0.245 19910 2719 1 6 . 1 1 12 12 PRO CA C 12 66.920 66.920 64.388 2.533 19910 2720 1 6 . 1 1 12 12 PRO CB C 12 31.950 31.950 32.064 -0.114 19910 2721 1 6 . 1 1 13 13 ASP N N 13 110.550 110.550 114.774 -4.224 19910 2722 1 6 . 1 1 13 13 ASP HA H 13 4.632 4.632 4.587 0.045 19910 2723 1 6 . 1 1 13 13 ASP C C 13 176.480 176.480 174.324 2.156 19910 2724 1 6 . 1 1 13 13 ASP CA C 13 54.940 54.940 53.846 1.094 19910 2725 1 6 . 1 1 13 13 ASP CB C 13 44.410 44.410 42.585 1.825 19910 2726 1 6 . 1 1 13 13 ASP H H 13 7.990 7.990 8.436 -0.446 19910 2727 1 6 . 1 1 14 14 PHE N N 14 118.880 118.880 116.173 2.707 19910 2728 1 6 . 1 1 14 14 PHE HA H 14 5.049 5.049 4.852 0.197 19910 2729 1 6 . 1 1 14 14 PHE C C 14 174.690 174.690 173.155 1.535 19910 2730 1 6 . 1 1 14 14 PHE CA C 14 57.600 57.600 57.450 0.150 19910 2731 1 6 . 1 1 14 14 PHE CB C 14 42.960 42.960 42.491 0.469 19910 2732 1 6 . 1 1 14 14 PHE H H 14 8.390 8.390 7.784 0.606 19910 2733 1 6 . 1 1 15 15 LEU N N 15 123.990 123.990 121.647 2.343 19910 2734 1 6 . 1 1 15 15 LEU HA H 15 4.613 4.613 4.752 -0.139 19910 2735 1 6 . 1 1 15 15 LEU C C 15 174.780 174.780 174.872 -0.092 19910 2736 1 6 . 1 1 15 15 LEU CA C 15 53.250 53.250 54.579 -1.329 19910 2737 1 6 . 1 1 15 15 LEU CB C 15 45.020 45.020 44.411 0.609 19910 2738 1 6 . 1 1 15 15 LEU H H 15 9.200 9.200 9.044 0.156 19910 2739 1 6 . 1 1 16 16 THR N N 16 122.960 122.960 123.494 -0.534 19910 2740 1 6 . 1 1 16 16 THR HA H 16 4.849 4.849 5.064 -0.215 19910 2741 1 6 . 1 1 16 16 THR C C 16 172.810 172.810 173.586 -0.776 19910 2742 1 6 . 1 1 16 16 THR CA C 16 62.690 62.690 61.625 1.065 19910 2743 1 6 . 1 1 16 16 THR CB C 16 69.340 69.340 70.777 -1.437 19910 2744 1 6 . 1 1 16 16 THR H H 16 9.000 9.000 8.641 0.359 19910 2745 1 6 . 1 1 17 17 ILE N N 17 126.630 126.630 121.981 4.649 19910 2746 1 6 . 1 1 17 17 ILE HA H 17 4.439 4.439 4.295 0.144 19910 2747 1 6 . 1 1 17 17 ILE C C 17 172.580 172.580 173.457 -0.877 19910 2748 1 6 . 1 1 17 17 ILE CA C 17 60.030 60.030 59.357 0.673 19910 2749 1 6 . 1 1 17 17 ILE CB C 17 39.450 39.450 41.850 -2.400 19910 2750 1 6 . 1 1 17 17 ILE H H 17 8.680 8.680 8.116 0.564 19910 2751 1 6 . 1 1 18 18 ALA N N 18 130.190 130.190 125.874 4.316 19910 2752 1 6 . 1 1 18 18 ALA HA H 18 5.215 5.215 5.254 -0.039 19910 2753 1 6 . 1 1 18 18 ALA C C 18 176.660 176.660 175.704 0.956 19910 2754 1 6 . 1 1 18 18 ALA CA C 18 49.980 49.980 50.535 -0.555 19910 2755 1 6 . 1 1 18 18 ALA CB C 18 20.570 20.570 21.341 -0.771 19910 2756 1 6 . 1 1 18 18 ALA H H 18 8.490 8.490 8.405 0.085 19910 2757 1 6 . 1 1 19 19 ILE N N 19 124.920 124.920 123.817 1.103 19910 2758 1 6 . 1 1 19 19 ILE HA H 19 4.307 4.307 4.482 -0.175 19910 2759 1 6 . 1 1 19 19 ILE C C 19 174.710 174.710 174.676 0.034 19910 2760 1 6 . 1 1 19 19 ILE CA C 19 60.990 60.990 60.089 0.901 19910 2761 1 6 . 1 1 19 19 ILE CB C 19 40.900 40.900 40.886 0.014 19910 2762 1 6 . 1 1 19 19 ILE H H 19 9.590 9.590 8.557 1.033 19910 2763 1 6 . 1 1 20 20 ARG N N 20 128.960 128.960 128.494 0.466 19910 2764 1 6 . 1 1 20 20 ARG HA H 20 4.642 4.642 4.735 -0.093 19910 2765 1 6 . 1 1 20 20 ARG C C 20 174.890 174.890 174.648 0.242 19910 2766 1 6 . 1 1 20 20 ARG CA C 20 56.030 56.030 55.711 0.320 19910 2767 1 6 . 1 1 20 20 ARG CB C 20 29.530 29.530 31.379 -1.849 19910 2768 1 6 . 1 1 20 20 ARG H H 20 8.600 8.600 8.683 -0.083 19910 2769 1 6 . 1 1 21 21 VAL N N 21 120.400 120.400 120.170 0.230 19910 2770 1 6 . 1 1 21 21 VAL HA H 21 4.010 4.010 4.534 -0.524 19910 2771 1 6 . 1 1 21 21 VAL C C 21 174.950 174.950 174.201 0.749 19910 2772 1 6 . 1 1 21 21 VAL CA C 21 59.420 59.420 61.321 -1.901 19910 2773 1 6 . 1 1 21 21 VAL CB C 21 33.280 33.280 35.419 -2.139 19910 2774 1 6 . 1 1 21 21 VAL H H 21 8.020 8.020 7.840 0.180 19910 2775 1 6 . 1 1 22 22 SER N N 22 118.050 118.050 120.017 -1.967 19910 2776 1 6 . 1 1 22 22 SER HA H 22 4.540 4.540 4.756 -0.216 19910 2777 1 6 . 1 1 22 22 SER C C 22 174.110 174.110 175.359 -1.249 19910 2778 1 6 . 1 1 22 22 SER CA C 22 59.540 59.540 58.663 0.878 19910 2779 1 6 . 1 1 22 22 SER CB C 22 63.600 63.600 64.090 -0.490 19910 2780 1 6 . 1 1 22 22 SER H H 22 7.770 7.770 8.648 -0.878 19910 2781 1 6 . 1 1 23 23 TYR N N 23 120.870 120.870 120.415 0.455 19910 2782 1 6 . 1 1 23 23 TYR HA H 23 4.493 4.493 4.494 -0.001 19910 2783 1 6 . 1 1 23 23 TYR C C 23 175.310 175.310 175.105 0.205 19910 2784 1 6 . 1 1 23 23 TYR CA C 23 58.210 58.210 57.370 0.840 19910 2785 1 6 . 1 1 23 23 TYR CB C 23 37.880 37.880 37.799 0.081 19910 2786 1 6 . 1 1 23 23 TYR H H 23 8.300 8.300 8.307 -0.007 19910 2787 1 6 . 1 1 24 24 ALA N N 24 122.670 122.670 122.565 0.105 19910 2788 1 6 . 1 1 24 24 ALA HA H 24 4.303 4.303 4.255 0.048 19910 2789 1 6 . 1 1 24 24 ALA C C 24 177.160 177.160 178.036 -0.876 19910 2790 1 6 . 1 1 24 24 ALA CA C 24 52.520 52.520 53.219 -0.699 19910 2791 1 6 . 1 1 24 24 ALA CB C 24 19.730 19.730 18.843 0.887 19910 2792 1 6 . 1 1 24 24 ALA H H 24 7.910 7.910 7.820 0.090 19910 2793 1 6 . 1 1 25 25 ARG N N 25 119.060 119.060 125.194 -6.134 19910 2794 1 6 . 1 1 25 25 ARG HA H 25 4.346 4.346 4.504 -0.158 19910 2795 1 6 . 1 1 25 25 ARG C C 25 175.830 175.830 175.516 0.314 19910 2796 1 6 . 1 1 25 25 ARG CA C 25 55.550 55.550 55.698 -0.148 19910 2797 1 6 . 1 1 25 25 ARG CB C 25 30.500 30.500 31.001 -0.501 19910 2798 1 6 . 1 1 25 25 ARG H H 25 8.220 8.220 8.246 -0.026 19910 2799 1 6 . 1 1 26 26 VAL N N 26 118.660 118.660 116.289 2.371 19910 2800 1 6 . 1 1 26 26 VAL HA H 26 3.454 3.454 4.371 -0.917 19910 2801 1 6 . 1 1 26 26 VAL C C 26 175.700 175.700 175.582 0.118 19910 2802 1 6 . 1 1 26 26 VAL CA C 26 61.960 61.960 60.192 1.768 19910 2803 1 6 . 1 1 26 26 VAL CB C 26 32.800 32.800 33.431 -0.631 19910 2804 1 6 . 1 1 26 26 VAL H H 26 7.650 7.650 7.626 0.024 19910 2805 1 6 . 1 1 27 27 SER N N 27 116.090 116.090 119.468 -3.378 19910 2806 1 6 . 1 1 27 27 SER HA H 27 4.183 4.183 4.247 -0.064 19910 2807 1 6 . 1 1 27 27 SER C C 27 173.750 173.750 174.727 -0.977 19910 2808 1 6 . 1 1 27 27 SER CA C 27 58.570 58.570 60.411 -1.841 19910 2809 1 6 . 1 1 27 27 SER CB C 27 63.530 63.530 63.500 0.030 19910 2810 1 6 . 1 1 27 27 SER H H 27 8.180 8.180 8.696 -0.516 19910 2811 1 6 . 1 1 28 28 GLU N N 28 120.070 120.070 120.281 -0.211 19910 2812 1 6 . 1 1 28 28 GLU HA H 28 4.203 4.203 4.042 0.161 19910 2813 1 6 . 1 1 28 28 GLU C C 28 174.790 174.790 175.238 -0.448 19910 2814 1 6 . 1 1 28 28 GLU CA C 28 55.550 55.550 55.288 0.263 19910 2815 1 6 . 1 1 28 28 GLU CB C 28 30.620 30.620 30.892 -0.272 19910 2816 1 6 . 1 1 28 28 GLU H H 28 7.400 7.400 7.759 -0.359 19910 2817 1 6 . 1 1 29 29 PHE N N 29 120.340 120.340 121.217 -0.877 19910 2818 1 6 . 1 1 29 29 PHE HA H 29 4.487 4.487 4.685 -0.198 19910 2819 1 6 . 1 1 29 29 PHE C C 29 174.580 174.580 175.749 -1.169 19910 2820 1 6 . 1 1 29 29 PHE CA C 29 55.790 55.790 54.513 1.277 19910 2821 1 6 . 1 1 29 29 PHE CB C 29 39.690 39.690 39.746 -0.056 19910 2822 1 6 . 1 1 29 29 PHE H H 29 7.820 7.820 7.970 -0.150 19910 2823 1 6 . 1 1 30 30 ASP N N 30 123.670 123.670 122.370 1.300 19910 2824 1 6 . 1 1 30 30 ASP HA H 30 4.817 4.817 4.721 0.096 19910 2825 1 6 . 1 1 30 30 ASP C C 30 174.040 174.040 173.885 0.155 19910 2826 1 6 . 1 1 30 30 ASP CA C 30 53.850 53.850 53.284 0.566 19910 2827 1 6 . 1 1 30 30 ASP CB C 30 43.450 43.450 41.837 1.613 19910 2828 1 6 . 1 1 30 30 ASP H H 30 8.420 8.420 8.640 -0.220 19910 2829 1 6 . 1 1 31 31 VAL N N 31 123.010 123.010 123.062 -0.052 19910 2830 1 6 . 1 1 31 31 VAL HA H 31 4.768 4.768 4.495 0.273 19910 2831 1 6 . 1 1 31 31 VAL C C 31 173.980 173.980 175.066 -1.086 19910 2832 1 6 . 1 1 31 31 VAL CA C 31 60.510 60.510 61.143 -0.633 19910 2833 1 6 . 1 1 31 31 VAL CB C 31 34.730 34.730 32.634 2.096 19910 2834 1 6 . 1 1 31 31 VAL H H 31 8.270 8.270 8.416 -0.146 19910 2835 1 6 . 1 1 32 32 TYR N N 32 127.340 127.340 127.681 -0.341 19910 2836 1 6 . 1 1 32 32 TYR HA H 32 4.624 4.624 4.830 -0.206 19910 2837 1 6 . 1 1 32 32 TYR C C 32 172.990 172.990 174.179 -1.189 19910 2838 1 6 . 1 1 32 32 TYR CA C 32 56.520 56.520 55.228 1.292 19910 2839 1 6 . 1 1 32 32 TYR CB C 32 41.870 41.870 39.260 2.610 19910 2840 1 6 . 1 1 32 32 TYR H H 32 8.920 8.920 8.624 0.296 19910 2841 1 6 . 1 1 33 33 PHE N N 33 121.160 121.160 121.655 -0.495 19910 2842 1 6 . 1 1 33 33 PHE HA H 33 5.106 5.106 5.949 -0.843 19910 2843 1 6 . 1 1 33 33 PHE C C 33 173.100 173.100 174.701 -1.601 19910 2844 1 6 . 1 1 33 33 PHE CA C 33 55.310 55.310 54.994 0.316 19910 2845 1 6 . 1 1 33 33 PHE CB C 33 40.420 40.420 41.505 -1.085 19910 2846 1 6 . 1 1 33 33 PHE H H 33 7.510 7.510 8.866 -1.356 19910 2847 1 6 . 1 1 34 34 GLU N N 34 120.460 120.460 124.495 -4.035 19910 2848 1 6 . 1 1 34 34 GLU HA H 34 4.099 4.099 4.547 -0.448 19910 2849 1 6 . 1 1 34 34 GLU C C 34 175.700 175.700 176.594 -0.894 19910 2850 1 6 . 1 1 34 34 GLU CA C 34 56.640 56.640 55.429 1.211 19910 2851 1 6 . 1 1 34 34 GLU CB C 34 31.340 31.340 32.549 -1.209 19910 2852 1 6 . 1 1 34 34 GLU H H 34 8.190 8.190 9.097 -0.907 19910 2853 1 6 . 1 1 35 35 GLY N N 35 117.400 117.400 117.279 0.121 19910 2854 1 6 . 1 1 35 35 GLY C C 35 173.120 173.120 174.633 -1.513 19910 2855 1 6 . 1 1 35 35 GLY CA C 35 47.680 47.680 46.217 1.463 19910 2856 1 6 . 1 1 35 35 GLY H H 35 9.240 9.240 9.268 -0.028 19910 2857 1 6 . 1 1 36 36 SER N N 36 122.510 122.510 112.172 10.338 19910 2858 1 6 . 1 1 36 36 SER HA H 36 4.795 4.795 3.929 0.866 19910 2859 1 6 . 1 1 36 36 SER C C 36 172.680 172.680 173.592 -0.912 19910 2860 1 6 . 1 1 36 36 SER CA C 36 57.360 57.360 60.078 -2.718 19910 2861 1 6 . 1 1 36 36 SER CB C 36 64.500 64.500 62.571 1.929 19910 2862 1 6 . 1 1 36 36 SER H H 36 8.930 8.930 8.728 0.202 19910 2863 1 6 . 1 1 37 37 ASP N N 37 123.120 123.120 122.682 0.438 19910 2864 1 6 . 1 1 37 37 ASP HA H 37 5.192 5.192 5.084 0.108 19910 2865 1 6 . 1 1 37 37 ASP C C 37 174.170 174.170 174.713 -0.543 19910 2866 1 6 . 1 1 37 37 ASP CA C 37 54.340 54.340 53.370 0.970 19910 2867 1 6 . 1 1 37 37 ASP CB C 37 43.810 43.810 41.157 2.652 19910 2868 1 6 . 1 1 37 37 ASP H H 37 8.600 8.600 7.821 0.779 19910 2869 1 6 . 1 1 38 38 PHE N N 38 122.850 122.850 127.414 -4.564 19910 2870 1 6 . 1 1 38 38 PHE HA H 38 5.053 5.053 5.448 -0.395 19910 2871 1 6 . 1 1 38 38 PHE C C 38 172.810 172.810 173.330 -0.520 19910 2872 1 6 . 1 1 38 38 PHE CA C 38 57.000 57.000 56.419 0.581 19910 2873 1 6 . 1 1 38 38 PHE CB C 38 43.080 43.080 42.218 0.862 19910 2874 1 6 . 1 1 38 38 PHE H H 38 8.340 8.340 9.044 -0.704 19910 2875 1 6 . 1 1 39 39 LYS N N 39 126.630 126.630 128.482 -1.852 19910 2876 1 6 . 1 1 39 39 LYS HA H 39 4.816 4.816 5.329 -0.513 19910 2877 1 6 . 1 1 39 39 LYS C C 39 172.540 172.540 174.163 -1.623 19910 2878 1 6 . 1 1 39 39 LYS CA C 39 54.890 54.890 53.916 0.974 19910 2879 1 6 . 1 1 39 39 LYS CB C 39 36.790 36.790 35.155 1.635 19910 2880 1 6 . 1 1 39 39 LYS H H 39 8.690 8.690 8.843 -0.153 19910 2881 1 6 . 1 1 40 40 PHE N N 40 123.910 123.910 125.815 -1.905 19910 2882 1 6 . 1 1 40 40 PHE HA H 40 4.923 4.923 4.775 0.148 19910 2883 1 6 . 1 1 40 40 PHE C C 40 171.900 171.900 172.806 -0.906 19910 2884 1 6 . 1 1 40 40 PHE CA C 40 55.910 55.910 55.293 0.617 19910 2885 1 6 . 1 1 40 40 PHE CB C 40 43.450 43.450 42.202 1.248 19910 2886 1 6 . 1 1 40 40 PHE H H 40 8.750 8.750 8.847 -0.097 19910 2887 1 6 . 1 1 41 41 TYR N N 41 126.490 126.490 126.157 0.333 19910 2888 1 6 . 1 1 41 41 TYR HA H 41 4.958 4.958 4.694 0.264 19910 2889 1 6 . 1 1 41 41 TYR C C 41 173.070 173.070 173.932 -0.862 19910 2890 1 6 . 1 1 41 41 TYR CA C 41 55.670 55.670 53.992 1.678 19910 2891 1 6 . 1 1 41 41 TYR CB C 41 41.510 41.510 38.537 2.973 19910 2892 1 6 . 1 1 41 41 TYR H H 41 8.450 8.450 8.092 0.358 19910 2893 1 6 . 1 1 42 42 ALA N N 42 129.720 129.720 123.820 5.900 19910 2894 1 6 . 1 1 42 42 ALA HA H 42 4.024 4.024 4.592 -0.568 19910 2895 1 6 . 1 1 42 42 ALA C C 42 174.350 174.350 175.435 -1.085 19910 2896 1 6 . 1 1 42 42 ALA CA C 42 51.190 51.190 50.987 0.202 19910 2897 1 6 . 1 1 42 42 ALA CB C 42 20.330 20.330 19.278 1.052 19910 2898 1 6 . 1 1 42 42 ALA H H 42 7.970 7.970 8.101 -0.131 19910 2899 1 6 . 1 1 43 43 LYS N N 43 124.250 124.250 115.426 8.824 19910 2900 1 6 . 1 1 43 43 LYS HA H 43 3.634 3.634 4.165 -0.531 19910 2901 1 6 . 1 1 43 43 LYS CA C 43 56.260 56.260 56.098 0.162 19910 2902 1 6 . 1 1 43 43 LYS CB C 43 32.860 32.860 29.680 3.180 19910 2903 1 6 . 1 1 43 43 LYS H H 43 7.850 7.850 7.426 0.424 19910 2904 1 6 . 1 1 44 44 PRO HA H 44 4.487 4.487 4.065 0.422 19910 2905 1 6 . 1 1 44 44 PRO C C 44 173.980 173.980 176.313 -2.333 19910 2906 1 6 . 1 1 44 44 PRO CA C 44 64.380 64.380 64.651 -0.272 19910 2907 1 6 . 1 1 44 44 PRO CB C 44 34.010 34.010 31.644 2.366 19910 2908 1 6 . 1 1 45 45 TYR N N 45 126.840 126.840 116.597 10.243 19910 2909 1 6 . 1 1 45 45 TYR HA H 45 5.274 5.274 4.492 0.781 19910 2910 1 6 . 1 1 45 45 TYR C C 45 175.290 175.290 175.246 0.044 19910 2911 1 6 . 1 1 45 45 TYR CA C 45 58.330 58.330 58.050 0.280 19910 2912 1 6 . 1 1 45 45 TYR CB C 45 40.300 40.300 37.785 2.515 19910 2913 1 6 . 1 1 45 45 TYR H H 45 9.360 9.360 7.567 1.793 19910 2914 1 6 . 1 1 46 46 PHE N N 46 121.470 121.470 123.122 -1.652 19910 2915 1 6 . 1 1 46 46 PHE HA H 46 5.422 5.422 5.247 0.175 19910 2916 1 6 . 1 1 46 46 PHE C C 46 173.180 173.180 175.121 -1.941 19910 2917 1 6 . 1 1 46 46 PHE CA C 46 56.520 56.520 56.275 0.245 19910 2918 1 6 . 1 1 46 46 PHE CB C 46 43.930 43.930 42.175 1.755 19910 2919 1 6 . 1 1 46 46 PHE H H 46 8.870 8.870 8.806 0.064 19910 2920 1 6 . 1 1 47 47 LEU N N 47 129.700 129.700 127.736 1.964 19910 2921 1 6 . 1 1 47 47 LEU HA H 47 4.565 4.565 4.709 -0.144 19910 2922 1 6 . 1 1 47 47 LEU C C 47 171.770 171.770 174.911 -3.141 19910 2923 1 6 . 1 1 47 47 LEU CA C 47 53.130 53.130 53.922 -0.792 19910 2924 1 6 . 1 1 47 47 LEU CB C 47 47.560 47.560 44.250 3.310 19910 2925 1 6 . 1 1 47 47 LEU H H 47 8.850 8.850 9.017 -0.167 19910 2926 1 6 . 1 1 48 48 ARG N N 48 127.760 127.760 127.849 -0.089 19910 2927 1 6 . 1 1 48 48 ARG HA H 48 5.283 5.283 5.205 0.078 19910 2928 1 6 . 1 1 48 48 ARG C C 48 174.090 174.090 174.869 -0.779 19910 2929 1 6 . 1 1 48 48 ARG CA C 48 54.100 54.100 54.990 -0.891 19910 2930 1 6 . 1 1 48 48 ARG CB C 48 33.160 33.160 31.653 1.507 19910 2931 1 6 . 1 1 48 48 ARG H H 48 8.620 8.620 8.647 -0.027 19910 2932 1 6 . 1 1 49 49 LEU N N 49 122.890 122.890 128.168 -5.278 19910 2933 1 6 . 1 1 49 49 LEU HA H 49 4.855 4.855 4.889 -0.034 19910 2934 1 6 . 1 1 49 49 LEU C C 49 175.880 175.880 175.057 0.823 19910 2935 1 6 . 1 1 49 49 LEU CA C 49 52.880 52.880 53.945 -1.065 19910 2936 1 6 . 1 1 49 49 LEU CB C 49 47.800 47.800 46.048 1.752 19910 2937 1 6 . 1 1 49 49 LEU H H 49 8.970 8.970 9.273 -0.303 19910 2938 1 6 . 1 1 50 50 THR N N 50 118.610 118.610 119.665 -1.055 19910 2939 1 6 . 1 1 50 50 THR HA H 50 4.862 4.862 5.121 -0.259 19910 2940 1 6 . 1 1 50 50 THR C C 50 174.610 174.610 174.783 -0.173 19910 2941 1 6 . 1 1 50 50 THR CA C 50 61.110 61.110 61.546 -0.436 19910 2942 1 6 . 1 1 50 50 THR CB C 50 69.220 69.220 68.947 0.273 19910 2943 1 6 . 1 1 50 50 THR H H 50 8.670 8.670 8.490 0.180 19910 2944 1 6 . 1 1 51 51 LEU N N 51 126.300 126.300 128.149 -1.849 19910 2945 1 6 . 1 1 51 51 LEU HA H 51 4.302 4.302 4.242 0.060 19910 2946 1 6 . 1 1 51 51 LEU CA C 51 52.650 52.650 53.188 -0.538 19910 2947 1 6 . 1 1 51 51 LEU CB C 51 41.950 41.950 41.111 0.839 19910 2948 1 6 . 1 1 51 51 LEU H H 51 9.540 9.540 8.500 1.040 19910 2949 1 6 . 1 1 52 52 PRO HA H 52 4.401 4.401 4.290 0.111 19910 2950 1 6 . 1 1 52 52 PRO C C 52 174.240 174.240 176.701 -2.461 19910 2951 1 6 . 1 1 52 52 PRO CA C 52 62.690 62.690 63.708 -1.018 19910 2952 1 6 . 1 1 52 52 PRO CB C 52 30.620 30.620 32.205 -1.585 19910 2953 1 6 . 1 1 53 53 GLY N N 53 105.990 105.990 105.438 0.552 19910 2954 1 6 . 1 1 53 53 GLY C C 53 170.520 170.520 172.497 -1.977 19910 2955 1 6 . 1 1 53 53 GLY CA C 53 43.450 43.450 43.288 0.162 19910 2956 1 6 . 1 1 53 53 GLY H H 53 6.550 6.550 6.877 -0.327 19910 2957 1 6 . 1 1 54 54 ARG N N 54 115.660 115.660 118.013 -2.353 19910 2958 1 6 . 1 1 54 54 ARG HA H 54 4.347 4.347 4.666 -0.319 19910 2959 1 6 . 1 1 54 54 ARG C C 54 176.940 176.940 174.452 2.488 19910 2960 1 6 . 1 1 54 54 ARG CA C 54 55.890 55.890 55.466 0.424 19910 2961 1 6 . 1 1 54 54 ARG CB C 54 32.310 32.310 34.510 -2.200 19910 2962 1 6 . 1 1 54 54 ARG H H 54 8.210 8.210 8.467 -0.257 19910 2963 1 6 . 1 1 55 55 ILE N N 55 118.910 118.910 124.160 -5.250 19910 2964 1 6 . 1 1 55 55 ILE HA H 55 5.003 5.003 4.618 0.385 19910 2965 1 6 . 1 1 55 55 ILE C C 55 175.310 175.310 175.260 0.050 19910 2966 1 6 . 1 1 55 55 ILE CA C 55 58.500 58.500 59.123 -0.624 19910 2967 1 6 . 1 1 55 55 ILE CB C 55 40.950 40.950 39.444 1.506 19910 2968 1 6 . 1 1 55 55 ILE H H 55 8.640 8.640 8.631 0.009 19910 2969 1 6 . 1 1 56 56 VAL N N 56 118.140 118.140 126.952 -8.812 19910 2970 1 6 . 1 1 56 56 VAL HA H 56 4.438 4.438 3.992 0.446 19910 2971 1 6 . 1 1 56 56 VAL C C 56 172.920 172.920 175.072 -2.152 19910 2972 1 6 . 1 1 56 56 VAL CA C 56 60.510 60.510 63.691 -3.180 19910 2973 1 6 . 1 1 56 56 VAL CB C 56 34.850 34.850 33.210 1.640 19910 2974 1 6 . 1 1 56 56 VAL H H 56 8.330 8.330 7.922 0.408 19910 2975 1 6 . 1 1 57 57 GLU N N 57 123.300 123.300 126.657 -3.357 19910 2976 1 6 . 1 1 57 57 GLU HA H 57 4.358 4.358 4.865 -0.507 19910 2977 1 6 . 1 1 57 57 GLU C C 57 176.350 176.350 175.109 1.241 19910 2978 1 6 . 1 1 57 57 GLU CA C 57 55.890 55.890 55.471 0.419 19910 2979 1 6 . 1 1 57 57 GLU CB C 57 29.880 29.880 30.816 -0.936 19910 2980 1 6 . 1 1 57 57 GLU H H 57 8.380 8.380 8.563 -0.183 19910 2981 1 6 . 1 1 58 58 ASN N N 58 121.570 121.570 122.944 -1.374 19910 2982 1 6 . 1 1 58 58 ASN HA H 58 4.764 4.764 4.815 -0.051 19910 2983 1 6 . 1 1 58 58 ASN C C 58 176.120 176.120 175.065 1.055 19910 2984 1 6 . 1 1 58 58 ASN CA C 58 52.760 52.760 53.944 -1.185 19910 2985 1 6 . 1 1 58 58 ASN CB C 58 38.970 38.970 39.266 -0.296 19910 2986 1 6 . 1 1 58 58 ASN H H 58 8.360 8.360 9.157 -0.797 19910 2987 1 6 . 1 1 59 59 GLY N N 59 112.050 112.050 108.479 3.571 19910 2988 1 6 . 1 1 59 59 GLY C C 59 174.840 174.840 174.396 0.444 19910 2989 1 6 . 1 1 59 59 GLY CA C 59 45.380 45.380 44.942 0.438 19910 2990 1 6 . 1 1 59 59 GLY H H 59 9.350 9.350 8.564 0.786 19910 2991 1 6 . 1 1 60 60 SER N N 60 115.430 115.430 115.933 -0.503 19910 2992 1 6 . 1 1 60 60 SER HA H 60 4.536 4.536 4.665 -0.129 19910 2993 1 6 . 1 1 60 60 SER C C 60 174.140 174.140 174.589 -0.449 19910 2994 1 6 . 1 1 60 60 SER CA C 60 58.810 58.810 57.685 1.125 19910 2995 1 6 . 1 1 60 60 SER CB C 60 64.140 64.140 63.494 0.646 19910 2996 1 6 . 1 1 60 60 SER H H 60 8.350 8.350 8.341 0.009 19910 2997 1 6 . 1 1 61 61 GLU N N 61 122.950 122.950 121.663 1.287 19910 2998 1 6 . 1 1 61 61 GLU HA H 61 4.525 4.525 4.479 0.046 19910 2999 1 6 . 1 1 61 61 GLU C C 61 175.550 175.550 175.216 0.334 19910 3000 1 6 . 1 1 61 61 GLU CA C 61 56.520 56.520 56.044 0.476 19910 3001 1 6 . 1 1 61 61 GLU CB C 61 29.530 29.530 30.371 -0.841 19910 3002 1 6 . 1 1 61 61 GLU H H 61 8.910 8.910 7.801 1.109 19910 3003 1 6 . 1 1 62 62 GLN N N 62 120.280 120.280 117.892 2.388 19910 3004 1 6 . 1 1 62 62 GLN HA H 62 4.601 4.601 4.581 0.020 19910 3005 1 6 . 1 1 62 62 GLN C C 62 175.700 175.700 174.494 1.206 19910 3006 1 6 . 1 1 62 62 GLN CA C 62 55.430 55.430 55.015 0.415 19910 3007 1 6 . 1 1 62 62 GLN CB C 62 31.340 31.340 32.792 -1.452 19910 3008 1 6 . 1 1 62 62 GLN H H 62 8.310 8.310 8.209 0.101 19910 3009 1 6 . 1 1 63 63 GLY N N 63 111.400 111.400 109.255 2.145 19910 3010 1 6 . 1 1 63 63 GLY C C 63 172.550 172.550 173.383 -0.833 19910 3011 1 6 . 1 1 63 63 GLY CA C 63 44.690 44.690 44.741 -0.051 19910 3012 1 6 . 1 1 63 63 GLY H H 63 8.880 8.880 8.396 0.484 19910 3013 1 6 . 1 1 64 64 SER N N 64 115.080 115.080 121.035 -5.955 19910 3014 1 6 . 1 1 64 64 SER HA H 64 4.629 4.629 4.866 -0.237 19910 3015 1 6 . 1 1 64 64 SER C C 64 171.770 171.770 172.936 -1.166 19910 3016 1 6 . 1 1 64 64 SER CA C 64 57.120 57.120 58.416 -1.296 19910 3017 1 6 . 1 1 64 64 SER CB C 64 65.230 65.230 65.461 -0.231 19910 3018 1 6 . 1 1 64 64 SER H H 64 8.280 8.280 9.215 -0.935 19910 3019 1 6 . 1 1 65 65 TYR N N 65 124.640 124.640 127.508 -2.868 19910 3020 1 6 . 1 1 65 65 TYR HA H 65 5.198 5.198 5.699 -0.501 19910 3021 1 6 . 1 1 65 65 TYR C C 65 173.640 173.640 174.290 -0.650 19910 3022 1 6 . 1 1 65 65 TYR CA C 65 55.670 55.670 56.544 -0.874 19910 3023 1 6 . 1 1 65 65 TYR CB C 65 40.900 40.900 41.346 -0.446 19910 3024 1 6 . 1 1 65 65 TYR H H 65 8.980 8.980 8.770 0.210 19910 3025 1 6 . 1 1 66 66 ASP N N 66 128.570 128.570 126.383 2.187 19910 3026 1 6 . 1 1 66 66 ASP HA H 66 4.532 4.532 4.641 -0.109 19910 3027 1 6 . 1 1 66 66 ASP C C 66 175.340 175.340 174.755 0.585 19910 3028 1 6 . 1 1 66 66 ASP CA C 66 51.800 51.800 52.821 -1.021 19910 3029 1 6 . 1 1 66 66 ASP CB C 66 41.510 41.510 44.016 -2.506 19910 3030 1 6 . 1 1 66 66 ASP H H 66 8.000 8.000 8.338 -0.338 19910 3031 1 6 . 1 1 67 67 ALA N N 67 127.520 127.520 127.243 0.277 19910 3032 1 6 . 1 1 67 67 ALA HA H 67 3.597 3.597 4.132 -0.535 19910 3033 1 6 . 1 1 67 67 ALA C C 67 178.770 178.770 178.024 0.746 19910 3034 1 6 . 1 1 67 67 ALA CA C 67 53.850 53.850 54.231 -0.381 19910 3035 1 6 . 1 1 67 67 ALA CB C 67 18.640 18.640 19.126 -0.486 19910 3036 1 6 . 1 1 67 67 ALA H H 67 8.460 8.460 8.356 0.104 19910 3037 1 6 . 1 1 68 68 ASP N N 68 117.850 117.850 117.721 0.129 19910 3038 1 6 . 1 1 68 68 ASP HA H 68 4.340 4.340 4.425 -0.085 19910 3039 1 6 . 1 1 68 68 ASP C C 68 177.780 177.780 177.075 0.705 19910 3040 1 6 . 1 1 68 68 ASP CA C 68 56.760 56.760 56.304 0.456 19910 3041 1 6 . 1 1 68 68 ASP CB C 68 40.900 40.900 40.738 0.162 19910 3042 1 6 . 1 1 68 68 ASP H H 68 7.980 7.980 8.740 -0.760 19910 3043 1 6 . 1 1 69 69 LYS N N 69 115.790 115.790 115.681 0.109 19910 3044 1 6 . 1 1 69 69 LYS HA H 69 4.119 4.119 4.412 -0.292 19910 3045 1 6 . 1 1 69 69 LYS C C 69 177.130 177.130 176.352 0.778 19910 3046 1 6 . 1 1 69 69 LYS CA C 69 56.150 56.150 55.814 0.336 19910 3047 1 6 . 1 1 69 69 LYS CB C 69 34.010 34.010 33.008 1.002 19910 3048 1 6 . 1 1 69 69 LYS H H 69 7.390 7.390 7.994 -0.604 19910 3049 1 6 . 1 1 70 70 GLY N N 70 110.040 110.040 108.701 1.339 19910 3050 1 6 . 1 1 70 70 GLY C C 70 174.040 174.040 173.602 0.438 19910 3051 1 6 . 1 1 70 70 GLY CA C 70 46.830 46.830 45.501 1.329 19910 3052 1 6 . 1 1 70 70 GLY H H 70 8.030 8.030 7.647 0.383 19910 3053 1 6 . 1 1 71 71 ILE N N 71 115.810 115.810 120.216 -4.406 19910 3054 1 6 . 1 1 71 71 ILE HA H 71 4.861 4.861 4.613 0.248 19910 3055 1 6 . 1 1 71 71 ILE C C 71 175.520 175.520 174.131 1.389 19910 3056 1 6 . 1 1 71 71 ILE CA C 71 59.420 59.420 60.698 -1.278 19910 3057 1 6 . 1 1 71 71 ILE CB C 71 42.240 42.240 41.315 0.925 19910 3058 1 6 . 1 1 71 71 ILE H H 71 6.990 6.990 8.037 -1.047 19910 3059 1 6 . 1 1 72 72 PHE N N 72 132.630 132.630 130.448 2.182 19910 3060 1 6 . 1 1 72 72 PHE HA H 72 5.377 5.377 5.562 -0.185 19910 3061 1 6 . 1 1 72 72 PHE C C 72 173.310 173.310 173.656 -0.346 19910 3062 1 6 . 1 1 72 72 PHE CA C 72 56.150 56.150 54.837 1.313 19910 3063 1 6 . 1 1 72 72 PHE CB C 72 41.630 41.630 41.993 -0.363 19910 3064 1 6 . 1 1 72 72 PHE H H 72 9.720 9.720 9.316 0.404 19910 3065 1 6 . 1 1 73 73 THR N N 73 124.190 124.190 125.777 -1.587 19910 3066 1 6 . 1 1 73 73 THR HA H 73 5.047 5.047 5.214 -0.167 19910 3067 1 6 . 1 1 73 73 THR C C 73 172.660 172.660 172.691 -0.031 19910 3068 1 6 . 1 1 73 73 THR CA C 73 61.480 61.480 60.951 0.529 19910 3069 1 6 . 1 1 73 73 THR CB C 73 69.950 69.950 70.619 -0.669 19910 3070 1 6 . 1 1 73 73 THR H H 73 8.610 8.610 9.338 -0.728 19910 3071 1 6 . 1 1 74 74 ILE N N 74 125.780 125.780 127.003 -1.223 19910 3072 1 6 . 1 1 74 74 ILE HA H 74 4.557 4.557 4.951 -0.394 19910 3073 1 6 . 1 1 74 74 ILE C C 74 171.480 171.480 173.467 -1.987 19910 3074 1 6 . 1 1 74 74 ILE CA C 74 59.060 59.060 59.163 -0.103 19910 3075 1 6 . 1 1 74 74 ILE CB C 74 41.510 41.510 41.856 -0.346 19910 3076 1 6 . 1 1 74 74 ILE H H 74 8.850 8.850 8.166 0.684 19910 3077 1 6 . 1 1 75 75 ARG N N 75 127.330 127.330 127.855 -0.525 19910 3078 1 6 . 1 1 75 75 ARG HA H 75 4.859 4.859 4.528 0.331 19910 3079 1 6 . 1 1 75 75 ARG C C 75 174.790 174.790 174.712 0.078 19910 3080 1 6 . 1 1 75 75 ARG CA C 75 54.460 54.460 54.851 -0.391 19910 3081 1 6 . 1 1 75 75 ARG CB C 75 31.460 31.460 31.258 0.202 19910 3082 1 6 . 1 1 75 75 ARG H H 75 8.320 8.320 8.222 0.098 19910 3083 1 6 . 1 1 76 76 LEU N N 76 125.120 125.120 122.277 2.843 19910 3084 1 6 . 1 1 76 76 LEU HA H 76 4.819 4.819 4.791 0.028 19910 3085 1 6 . 1 1 76 76 LEU CA C 76 50.530 50.530 51.722 -1.192 19910 3086 1 6 . 1 1 76 76 LEU CB C 76 43.070 43.070 44.476 -1.406 19910 3087 1 6 . 1 1 76 76 LEU H H 76 9.300 9.300 8.018 1.282 19910 3088 1 6 . 1 1 77 77 PRO HA H 77 4.114 4.114 4.687 -0.573 19910 3089 1 6 . 1 1 77 77 PRO C C 77 176.430 176.430 176.745 -0.315 19910 3090 1 6 . 1 1 77 77 PRO CA C 77 62.080 62.080 62.123 -0.042 19910 3091 1 6 . 1 1 77 77 PRO CB C 77 31.220 31.220 32.385 -1.165 19910 3092 1 6 . 1 1 78 78 LYS N N 78 122.800 122.800 120.345 2.455 19910 3093 1 6 . 1 1 78 78 LYS HA H 78 4.062 4.062 4.449 -0.387 19910 3094 1 6 . 1 1 78 78 LYS C C 78 176.590 176.590 176.681 -0.091 19910 3095 1 6 . 1 1 78 78 LYS CA C 78 57.730 57.730 54.564 3.166 19910 3096 1 6 . 1 1 78 78 LYS CB C 78 32.800 32.800 33.527 -0.727 19910 3097 1 6 . 1 1 78 78 LYS H H 78 7.790 7.790 7.642 0.148 19910 3098 1 6 . 1 1 79 79 GLU N N 79 124.540 124.540 121.737 2.803 19910 3099 1 6 . 1 1 79 79 GLU HA H 79 3.689 3.689 4.252 -0.563 19910 3100 1 6 . 1 1 79 79 GLU C C 79 176.300 176.300 175.735 0.565 19910 3101 1 6 . 1 1 79 79 GLU CA C 79 59.420 59.420 57.112 2.308 19910 3102 1 6 . 1 1 79 79 GLU CB C 79 30.500 30.500 30.161 0.339 19910 3103 1 6 . 1 1 79 79 GLU H H 79 8.520 8.520 8.638 -0.118 19910 3104 1 6 . 1 1 80 80 THR N N 80 115.960 115.960 116.982 -1.022 19910 3105 1 6 . 1 1 80 80 THR HA H 80 4.485 4.485 4.664 -0.179 19910 3106 1 6 . 1 1 80 80 THR CA C 80 59.120 59.120 59.793 -0.673 19910 3107 1 6 . 1 1 80 80 THR CB C 80 69.330 69.330 70.255 -0.925 19910 3108 1 6 . 1 1 80 80 THR H H 80 9.070 9.070 7.587 1.483 19910 3109 1 6 . 1 1 81 81 PRO HA H 81 4.070 4.070 4.035 0.035 19910 3110 1 6 . 1 1 81 81 PRO C C 81 177.860 177.860 177.562 0.298 19910 3111 1 6 . 1 1 81 81 PRO CA C 81 63.900 63.900 63.281 0.619 19910 3112 1 6 . 1 1 81 81 PRO CB C 81 31.460 31.460 31.953 -0.493 19910 3113 1 6 . 1 1 82 82 GLY N N 82 113.580 113.580 113.187 0.393 19910 3114 1 6 . 1 1 82 82 GLY C C 82 174.870 174.870 174.344 0.526 19910 3115 1 6 . 1 1 82 82 GLY CA C 82 45.140 45.140 45.163 -0.023 19910 3116 1 6 . 1 1 82 82 GLY H H 82 9.150 9.150 8.760 0.390 19910 3117 1 6 . 1 1 83 83 GLN N N 83 122.820 122.820 120.509 2.311 19910 3118 1 6 . 1 1 83 83 GLN HA H 83 4.159 4.159 4.139 0.020 19910 3119 1 6 . 1 1 83 83 GLN C C 83 175.180 175.180 174.615 0.565 19910 3120 1 6 . 1 1 83 83 GLN CA C 83 56.390 56.390 55.901 0.489 19910 3121 1 6 . 1 1 83 83 GLN CB C 83 29.410 29.410 29.452 -0.042 19910 3122 1 6 . 1 1 83 83 GLN H H 83 7.960 7.960 7.435 0.525 19910 3123 1 6 . 1 1 84 84 HIS N N 84 131.340 131.340 126.314 5.026 19910 3124 1 6 . 1 1 84 84 HIS HA H 84 4.299 4.299 4.666 -0.367 19910 3125 1 6 . 1 1 84 84 HIS C C 84 175.300 175.300 173.921 1.379 19910 3126 1 6 . 1 1 84 84 HIS CA C 84 56.640 56.640 53.595 3.045 19910 3127 1 6 . 1 1 84 84 HIS CB C 84 30.980 30.980 32.153 -1.173 19910 3128 1 6 . 1 1 84 84 HIS H H 84 9.220 9.220 8.521 0.699 19910 3129 1 6 . 1 1 85 85 PHE N N 85 130.320 130.320 127.541 2.779 19910 3130 1 6 . 1 1 85 85 PHE HA H 85 4.722 4.722 4.634 0.088 19910 3131 1 6 . 1 1 85 85 PHE C C 85 174.890 174.890 175.464 -0.574 19910 3132 1 6 . 1 1 85 85 PHE CA C 85 54.580 54.580 55.649 -1.069 19910 3133 1 6 . 1 1 85 85 PHE CB C 85 36.430 36.430 37.176 -0.746 19910 3134 1 6 . 1 1 85 85 PHE H H 85 9.130 9.130 8.820 0.310 19910 3135 1 6 . 1 1 86 86 GLU N N 86 126.010 126.010 123.299 2.711 19910 3136 1 6 . 1 1 86 86 GLU HA H 86 4.199 4.199 4.243 -0.044 19910 3137 1 6 . 1 1 86 86 GLU C C 86 177.000 177.000 177.868 -0.868 19910 3138 1 6 . 1 1 86 86 GLU CA C 86 55.910 55.910 56.702 -0.792 19910 3139 1 6 . 1 1 86 86 GLU CB C 86 30.620 30.620 30.916 -0.296 19910 3140 1 6 . 1 1 86 86 GLU H H 86 8.900 8.900 7.882 1.018 19910 3141 1 6 . 1 1 87 87 GLY N N 87 108.540 108.540 108.594 -0.054 19910 3142 1 6 . 1 1 87 87 GLY C C 87 177.370 177.370 175.430 1.940 19910 3143 1 6 . 1 1 87 87 GLY CA C 87 46.590 46.590 46.266 0.324 19910 3144 1 6 . 1 1 87 87 GLY H H 87 8.610 8.610 8.775 -0.165 19910 3145 1 6 . 1 1 88 88 LEU N N 88 119.830 119.830 119.902 -0.072 19910 3146 1 6 . 1 1 88 88 LEU HA H 88 3.775 3.775 4.032 -0.257 19910 3147 1 6 . 1 1 88 88 LEU C C 88 177.500 177.500 177.871 -0.371 19910 3148 1 6 . 1 1 88 88 LEU CA C 88 57.850 57.850 57.525 0.325 19910 3149 1 6 . 1 1 88 88 LEU CB C 88 40.780 40.780 41.992 -1.212 19910 3150 1 6 . 1 1 88 88 LEU H H 88 8.370 8.370 8.141 0.229 19910 3151 1 6 . 1 1 89 89 ASN N N 89 112.390 112.390 115.650 -3.260 19910 3152 1 6 . 1 1 89 89 ASN HA H 89 4.524 4.524 4.632 -0.108 19910 3153 1 6 . 1 1 89 89 ASN C C 89 175.440 175.440 175.301 0.139 19910 3154 1 6 . 1 1 89 89 ASN CA C 89 54.340 54.340 54.100 0.240 19910 3155 1 6 . 1 1 89 89 ASN CB C 89 37.030 37.030 37.564 -0.534 19910 3156 1 6 . 1 1 89 89 ASN H H 89 8.470 8.470 8.251 0.219 19910 3157 1 6 . 1 1 90 90 MET N N 90 117.460 117.460 117.041 0.419 19910 3158 1 6 . 1 1 90 90 MET HA H 90 4.626 4.626 4.466 0.160 19910 3159 1 6 . 1 1 90 90 MET C C 90 176.040 176.040 176.904 -0.864 19910 3160 1 6 . 1 1 90 90 MET CA C 90 54.340 54.340 56.080 -1.740 19910 3161 1 6 . 1 1 90 90 MET CB C 90 32.550 32.550 33.570 -1.020 19910 3162 1 6 . 1 1 90 90 MET H H 90 7.460 7.460 7.207 0.253 19910 3163 1 6 . 1 1 91 91 LEU N N 91 121.330 121.330 121.011 0.319 19910 3164 1 6 . 1 1 91 91 LEU HA H 91 4.277 4.277 4.185 0.092 19910 3165 1 6 . 1 1 91 91 LEU C C 91 176.870 176.870 177.209 -0.339 19910 3166 1 6 . 1 1 91 91 LEU CA C 91 56.390 56.390 56.071 0.319 19910 3167 1 6 . 1 1 91 91 LEU CB C 91 42.480 42.480 42.603 -0.123 19910 3168 1 6 . 1 1 91 91 LEU H H 91 7.280 7.280 7.937 -0.657 19910 3169 1 6 . 1 1 92 92 THR N N 92 113.970 113.970 113.370 0.600 19910 3170 1 6 . 1 1 92 92 THR HA H 92 4.582 4.582 4.519 0.063 19910 3171 1 6 . 1 1 92 92 THR C C 92 173.180 173.180 173.138 0.042 19910 3172 1 6 . 1 1 92 92 THR CA C 92 60.390 60.390 60.693 -0.303 19910 3173 1 6 . 1 1 92 92 THR CB C 92 71.160 71.160 70.382 0.778 19910 3174 1 6 . 1 1 92 92 THR H H 92 8.110 8.110 8.038 0.072 19910 3175 1 6 . 1 1 93 93 ALA N N 93 124.650 124.650 124.488 0.162 19910 3176 1 6 . 1 1 93 93 ALA HA H 93 4.245 4.245 4.750 -0.505 19910 3177 1 6 . 1 1 93 93 ALA C C 93 177.650 177.650 177.388 0.262 19910 3178 1 6 . 1 1 93 93 ALA CA C 93 52.640 52.640 51.422 1.218 19910 3179 1 6 . 1 1 93 93 ALA CB C 93 19.670 19.670 19.567 0.103 19910 3180 1 6 . 1 1 93 93 ALA H H 93 8.430 8.430 8.299 0.131 19910 3181 1 6 . 1 1 94 94 LEU N N 94 123.150 123.150 121.611 1.539 19910 3182 1 6 . 1 1 94 94 LEU HA H 94 4.450 4.450 4.861 -0.411 19910 3183 1 6 . 1 1 94 94 LEU C C 94 177.420 177.420 176.082 1.338 19910 3184 1 6 . 1 1 94 94 LEU CA C 94 54.940 54.940 54.439 0.501 19910 3185 1 6 . 1 1 94 94 LEU CB C 94 42.480 42.480 42.991 -0.511 19910 3186 1 6 . 1 1 94 94 LEU H H 94 8.450 8.450 8.419 0.031 19910 3187 1 6 . 1 1 95 95 LEU N N 95 124.390 124.390 124.772 -0.382 19910 3188 1 6 . 1 1 95 95 LEU HA H 95 4.409 4.409 4.628 -0.219 19910 3189 1 6 . 1 1 95 95 LEU C C 95 175.990 175.990 177.392 -1.402 19910 3190 1 6 . 1 1 95 95 LEU CA C 95 55.060 55.060 54.775 0.285 19910 3191 1 6 . 1 1 95 95 LEU CB C 95 42.360 42.360 42.426 -0.066 19910 3192 1 6 . 1 1 95 95 LEU H H 95 8.380 8.380 8.588 -0.208 19910 3193 1 7 . 1 1 2 2 LEU N N 2 123.170 123.170 121.625 1.545 19910 3194 1 7 . 1 1 2 2 LEU HA H 2 4.588 4.588 5.006 -0.418 19910 3195 1 7 . 1 1 2 2 LEU C C 2 176.260 176.260 176.369 -0.109 19910 3196 1 7 . 1 1 2 2 LEU CA C 2 53.730 53.730 55.417 -1.687 19910 3197 1 7 . 1 1 2 2 LEU CB C 2 44.290 44.290 43.543 0.747 19910 3198 1 7 . 1 1 2 2 LEU H H 2 8.690 8.690 8.588 0.102 19910 3199 1 7 . 1 1 3 3 THR N N 3 120.960 120.960 117.591 3.369 19910 3200 1 7 . 1 1 3 3 THR HA H 3 5.193 5.193 4.629 0.564 19910 3201 1 7 . 1 1 3 3 THR CA C 3 59.990 59.990 60.572 -0.582 19910 3202 1 7 . 1 1 3 3 THR CB C 3 69.950 69.950 69.117 0.833 19910 3203 1 7 . 1 1 3 3 THR H H 3 8.850 8.850 8.254 0.596 19910 3204 1 7 . 1 1 4 4 PRO HA H 4 4.718 4.718 4.467 0.251 19910 3205 1 7 . 1 1 4 4 PRO C C 4 175.870 175.870 176.266 -0.396 19910 3206 1 7 . 1 1 4 4 PRO CA C 4 62.080 62.080 62.448 -0.368 19910 3207 1 7 . 1 1 4 4 PRO CB C 4 31.950 31.950 32.312 -0.362 19910 3208 1 7 . 1 1 5 5 ALA N N 5 122.560 122.560 124.971 -2.411 19910 3209 1 7 . 1 1 5 5 ALA HA H 5 4.348 4.348 4.330 0.018 19910 3210 1 7 . 1 1 5 5 ALA C C 5 176.360 176.360 176.271 0.089 19910 3211 1 7 . 1 1 5 5 ALA CA C 5 52.280 52.280 50.935 1.345 19910 3212 1 7 . 1 1 5 5 ALA CB C 5 18.880 18.880 17.497 1.383 19910 3213 1 7 . 1 1 5 5 ALA H H 5 8.400 8.400 8.485 -0.085 19910 3214 1 7 . 1 1 6 6 PHE N N 6 115.160 115.160 118.495 -3.335 19910 3215 1 7 . 1 1 6 6 PHE HA H 6 5.537 5.537 4.692 0.845 19910 3216 1 7 . 1 1 6 6 PHE C C 6 172.590 172.590 175.171 -2.581 19910 3217 1 7 . 1 1 6 6 PHE CA C 6 55.430 55.430 56.869 -1.439 19910 3218 1 7 . 1 1 6 6 PHE CB C 6 42.240 42.240 39.514 2.727 19910 3219 1 7 . 1 1 6 6 PHE H H 6 7.740 7.740 7.550 0.190 19910 3220 1 7 . 1 1 7 7 ASP N N 7 118.960 118.960 118.767 0.193 19910 3221 1 7 . 1 1 7 7 ASP HA H 7 4.813 4.813 4.895 -0.082 19910 3222 1 7 . 1 1 7 7 ASP C C 7 174.530 174.530 174.107 0.423 19910 3223 1 7 . 1 1 7 7 ASP CA C 7 53.370 53.370 53.587 -0.217 19910 3224 1 7 . 1 1 7 7 ASP CB C 7 45.380 45.380 45.706 -0.326 19910 3225 1 7 . 1 1 7 7 ASP H H 7 8.910 8.910 8.668 0.242 19910 3226 1 7 . 1 1 8 8 LEU N N 8 123.470 123.470 120.827 2.643 19910 3227 1 7 . 1 1 8 8 LEU HA H 8 5.284 5.284 4.745 0.539 19910 3228 1 7 . 1 1 8 8 LEU C C 8 175.420 175.420 176.195 -0.775 19910 3229 1 7 . 1 1 8 8 LEU CA C 8 53.850 53.850 53.861 -0.011 19910 3230 1 7 . 1 1 8 8 LEU CB C 8 45.620 45.620 44.241 1.379 19910 3231 1 7 . 1 1 8 8 LEU H H 8 8.750 8.750 8.245 0.505 19910 3232 1 7 . 1 1 9 9 SER N N 9 115.920 115.920 118.694 -2.774 19910 3233 1 7 . 1 1 9 9 SER HA H 9 4.486 4.486 4.747 -0.261 19910 3234 1 7 . 1 1 9 9 SER C C 9 171.680 171.680 172.950 -1.270 19910 3235 1 7 . 1 1 9 9 SER CA C 9 57.000 57.000 57.368 -0.368 19910 3236 1 7 . 1 1 9 9 SER CB C 9 65.590 65.590 65.406 0.184 19910 3237 1 7 . 1 1 9 9 SER H H 9 8.860 8.860 8.803 0.057 19910 3238 1 7 . 1 1 10 10 GLN N N 10 115.230 115.230 122.472 -7.242 19910 3239 1 7 . 1 1 10 10 GLN HA H 10 5.375 5.375 4.721 0.654 19910 3240 1 7 . 1 1 10 10 GLN C C 10 172.130 172.130 173.592 -1.462 19910 3241 1 7 . 1 1 10 10 GLN CA C 10 54.270 54.270 54.440 -0.170 19910 3242 1 7 . 1 1 10 10 GLN CB C 10 32.990 32.990 31.404 1.586 19910 3243 1 7 . 1 1 10 10 GLN H H 10 8.800 8.800 8.383 0.417 19910 3244 1 7 . 1 1 11 11 ASP N N 11 124.270 124.270 122.508 1.762 19910 3245 1 7 . 1 1 11 11 ASP HA H 11 4.768 4.768 5.097 -0.329 19910 3246 1 7 . 1 1 11 11 ASP CA C 11 52.530 52.530 51.101 1.429 19910 3247 1 7 . 1 1 11 11 ASP CB C 11 42.200 42.200 43.139 -0.939 19910 3248 1 7 . 1 1 11 11 ASP H H 11 8.680 8.680 8.619 0.061 19910 3249 1 7 . 1 1 12 12 PRO HA H 12 4.050 4.050 4.403 -0.353 19910 3250 1 7 . 1 1 12 12 PRO C C 12 175.290 175.290 175.867 -0.577 19910 3251 1 7 . 1 1 12 12 PRO CA C 12 66.920 66.920 64.574 2.346 19910 3252 1 7 . 1 1 12 12 PRO CB C 12 31.950 31.950 32.193 -0.243 19910 3253 1 7 . 1 1 13 13 ASP N N 13 110.550 110.550 114.887 -4.337 19910 3254 1 7 . 1 1 13 13 ASP HA H 13 4.632 4.632 4.614 0.018 19910 3255 1 7 . 1 1 13 13 ASP C C 13 176.480 176.480 174.268 2.212 19910 3256 1 7 . 1 1 13 13 ASP CA C 13 54.940 54.940 53.999 0.941 19910 3257 1 7 . 1 1 13 13 ASP CB C 13 44.410 44.410 42.662 1.748 19910 3258 1 7 . 1 1 13 13 ASP H H 13 7.990 7.990 8.457 -0.467 19910 3259 1 7 . 1 1 14 14 PHE N N 14 118.880 118.880 116.446 2.434 19910 3260 1 7 . 1 1 14 14 PHE HA H 14 5.049 5.049 4.924 0.125 19910 3261 1 7 . 1 1 14 14 PHE C C 14 174.690 174.690 173.125 1.565 19910 3262 1 7 . 1 1 14 14 PHE CA C 14 57.600 57.600 57.402 0.198 19910 3263 1 7 . 1 1 14 14 PHE CB C 14 42.960 42.960 42.460 0.500 19910 3264 1 7 . 1 1 14 14 PHE H H 14 8.390 8.390 7.897 0.493 19910 3265 1 7 . 1 1 15 15 LEU N N 15 123.990 123.990 120.927 3.063 19910 3266 1 7 . 1 1 15 15 LEU HA H 15 4.613 4.613 4.700 -0.087 19910 3267 1 7 . 1 1 15 15 LEU C C 15 174.780 174.780 174.694 0.086 19910 3268 1 7 . 1 1 15 15 LEU CA C 15 53.250 53.250 54.450 -1.200 19910 3269 1 7 . 1 1 15 15 LEU CB C 15 45.020 45.020 44.606 0.414 19910 3270 1 7 . 1 1 15 15 LEU H H 15 9.200 9.200 8.953 0.247 19910 3271 1 7 . 1 1 16 16 THR N N 16 122.960 122.960 123.961 -1.001 19910 3272 1 7 . 1 1 16 16 THR HA H 16 4.849 4.849 4.995 -0.146 19910 3273 1 7 . 1 1 16 16 THR C C 16 172.810 172.810 173.330 -0.520 19910 3274 1 7 . 1 1 16 16 THR CA C 16 62.690 62.690 62.087 0.603 19910 3275 1 7 . 1 1 16 16 THR CB C 16 69.340 69.340 70.901 -1.561 19910 3276 1 7 . 1 1 16 16 THR H H 16 9.000 9.000 8.890 0.110 19910 3277 1 7 . 1 1 17 17 ILE N N 17 126.630 126.630 123.104 3.526 19910 3278 1 7 . 1 1 17 17 ILE HA H 17 4.439 4.439 4.289 0.150 19910 3279 1 7 . 1 1 17 17 ILE C C 17 172.580 172.580 173.725 -1.145 19910 3280 1 7 . 1 1 17 17 ILE CA C 17 60.030 60.030 59.292 0.738 19910 3281 1 7 . 1 1 17 17 ILE CB C 17 39.450 39.450 41.447 -1.998 19910 3282 1 7 . 1 1 17 17 ILE H H 17 8.680 8.680 8.190 0.490 19910 3283 1 7 . 1 1 18 18 ALA N N 18 130.190 130.190 126.329 3.861 19910 3284 1 7 . 1 1 18 18 ALA HA H 18 5.215 5.215 4.957 0.258 19910 3285 1 7 . 1 1 18 18 ALA C C 18 176.660 176.660 175.476 1.184 19910 3286 1 7 . 1 1 18 18 ALA CA C 18 49.980 49.980 50.657 -0.677 19910 3287 1 7 . 1 1 18 18 ALA CB C 18 20.570 20.570 21.230 -0.660 19910 3288 1 7 . 1 1 18 18 ALA H H 18 8.490 8.490 8.500 -0.010 19910 3289 1 7 . 1 1 19 19 ILE N N 19 124.920 124.920 124.372 0.548 19910 3290 1 7 . 1 1 19 19 ILE HA H 19 4.307 4.307 4.421 -0.114 19910 3291 1 7 . 1 1 19 19 ILE C C 19 174.710 174.710 174.404 0.306 19910 3292 1 7 . 1 1 19 19 ILE CA C 19 60.990 60.990 60.366 0.624 19910 3293 1 7 . 1 1 19 19 ILE CB C 19 40.900 40.900 40.658 0.242 19910 3294 1 7 . 1 1 19 19 ILE H H 19 9.590 9.590 8.191 1.399 19910 3295 1 7 . 1 1 20 20 ARG N N 20 128.960 128.960 128.930 0.030 19910 3296 1 7 . 1 1 20 20 ARG HA H 20 4.642 4.642 4.704 -0.062 19910 3297 1 7 . 1 1 20 20 ARG C C 20 174.890 174.890 174.991 -0.101 19910 3298 1 7 . 1 1 20 20 ARG CA C 20 56.030 56.030 55.237 0.793 19910 3299 1 7 . 1 1 20 20 ARG CB C 20 29.530 29.530 31.104 -1.574 19910 3300 1 7 . 1 1 20 20 ARG H H 20 8.600 8.600 8.618 -0.018 19910 3301 1 7 . 1 1 21 21 VAL N N 21 120.400 120.400 120.472 -0.072 19910 3302 1 7 . 1 1 21 21 VAL HA H 21 4.010 4.010 4.323 -0.313 19910 3303 1 7 . 1 1 21 21 VAL C C 21 174.950 174.950 175.080 -0.130 19910 3304 1 7 . 1 1 21 21 VAL CA C 21 59.420 59.420 60.212 -0.792 19910 3305 1 7 . 1 1 21 21 VAL CB C 21 33.280 33.280 34.248 -0.968 19910 3306 1 7 . 1 1 21 21 VAL H H 21 8.020 8.020 8.400 -0.380 19910 3307 1 7 . 1 1 22 22 SER N N 22 118.050 118.050 119.866 -1.816 19910 3308 1 7 . 1 1 22 22 SER HA H 22 4.540 4.540 4.654 -0.114 19910 3309 1 7 . 1 1 22 22 SER C C 22 174.110 174.110 175.353 -1.243 19910 3310 1 7 . 1 1 22 22 SER CA C 22 59.540 59.540 59.005 0.535 19910 3311 1 7 . 1 1 22 22 SER CB C 22 63.600 63.600 64.144 -0.544 19910 3312 1 7 . 1 1 22 22 SER H H 22 7.770 7.770 8.625 -0.855 19910 3313 1 7 . 1 1 23 23 TYR N N 23 120.870 120.870 120.416 0.454 19910 3314 1 7 . 1 1 23 23 TYR HA H 23 4.493 4.493 4.528 -0.035 19910 3315 1 7 . 1 1 23 23 TYR C C 23 175.310 175.310 175.129 0.181 19910 3316 1 7 . 1 1 23 23 TYR CA C 23 58.210 58.210 56.865 1.345 19910 3317 1 7 . 1 1 23 23 TYR CB C 23 37.880 37.880 37.885 -0.005 19910 3318 1 7 . 1 1 23 23 TYR H H 23 8.300 8.300 8.250 0.050 19910 3319 1 7 . 1 1 24 24 ALA N N 24 122.670 122.670 122.402 0.268 19910 3320 1 7 . 1 1 24 24 ALA HA H 24 4.303 4.303 4.159 0.144 19910 3321 1 7 . 1 1 24 24 ALA C C 24 177.160 177.160 178.047 -0.887 19910 3322 1 7 . 1 1 24 24 ALA CA C 24 52.520 52.520 53.290 -0.770 19910 3323 1 7 . 1 1 24 24 ALA CB C 24 19.730 19.730 18.633 1.097 19910 3324 1 7 . 1 1 24 24 ALA H H 24 7.910 7.910 8.034 -0.124 19910 3325 1 7 . 1 1 25 25 ARG N N 25 119.060 119.060 122.881 -3.821 19910 3326 1 7 . 1 1 25 25 ARG HA H 25 4.346 4.346 4.205 0.141 19910 3327 1 7 . 1 1 25 25 ARG C C 25 175.830 175.830 176.662 -0.832 19910 3328 1 7 . 1 1 25 25 ARG CA C 25 55.550 55.550 57.838 -2.288 19910 3329 1 7 . 1 1 25 25 ARG CB C 25 30.500 30.500 30.610 -0.111 19910 3330 1 7 . 1 1 25 25 ARG H H 25 8.220 8.220 8.373 -0.153 19910 3331 1 7 . 1 1 26 26 VAL N N 26 118.660 118.660 117.964 0.696 19910 3332 1 7 . 1 1 26 26 VAL HA H 26 3.454 3.454 3.979 -0.525 19910 3333 1 7 . 1 1 26 26 VAL C C 26 175.700 175.700 175.749 -0.049 19910 3334 1 7 . 1 1 26 26 VAL CA C 26 61.960 61.960 63.678 -1.718 19910 3335 1 7 . 1 1 26 26 VAL CB C 26 32.800 32.800 31.940 0.860 19910 3336 1 7 . 1 1 26 26 VAL H H 26 7.650 7.650 7.973 -0.323 19910 3337 1 7 . 1 1 27 27 SER N N 27 116.090 116.090 120.034 -3.944 19910 3338 1 7 . 1 1 27 27 SER HA H 27 4.183 4.183 4.312 -0.129 19910 3339 1 7 . 1 1 27 27 SER C C 27 173.750 173.750 174.426 -0.676 19910 3340 1 7 . 1 1 27 27 SER CA C 27 58.570 58.570 60.115 -1.545 19910 3341 1 7 . 1 1 27 27 SER CB C 27 63.530 63.530 63.608 -0.078 19910 3342 1 7 . 1 1 27 27 SER H H 27 8.180 8.180 8.445 -0.265 19910 3343 1 7 . 1 1 28 28 GLU N N 28 120.070 120.070 119.452 0.618 19910 3344 1 7 . 1 1 28 28 GLU HA H 28 4.203 4.203 4.077 0.126 19910 3345 1 7 . 1 1 28 28 GLU C C 28 174.790 174.790 175.044 -0.254 19910 3346 1 7 . 1 1 28 28 GLU CA C 28 55.550 55.550 55.243 0.307 19910 3347 1 7 . 1 1 28 28 GLU CB C 28 30.620 30.620 31.454 -0.834 19910 3348 1 7 . 1 1 28 28 GLU H H 28 7.400 7.400 7.810 -0.410 19910 3349 1 7 . 1 1 29 29 PHE N N 29 120.340 120.340 119.984 0.356 19910 3350 1 7 . 1 1 29 29 PHE HA H 29 4.487 4.487 4.746 -0.259 19910 3351 1 7 . 1 1 29 29 PHE C C 29 174.580 174.580 175.751 -1.171 19910 3352 1 7 . 1 1 29 29 PHE CA C 29 55.790 55.790 54.104 1.686 19910 3353 1 7 . 1 1 29 29 PHE CB C 29 39.690 39.690 40.259 -0.569 19910 3354 1 7 . 1 1 29 29 PHE H H 29 7.820 7.820 7.808 0.012 19910 3355 1 7 . 1 1 30 30 ASP N N 30 123.670 123.670 121.581 2.089 19910 3356 1 7 . 1 1 30 30 ASP HA H 30 4.817 4.817 4.677 0.140 19910 3357 1 7 . 1 1 30 30 ASP C C 30 174.040 174.040 174.229 -0.189 19910 3358 1 7 . 1 1 30 30 ASP CA C 30 53.850 53.850 53.863 -0.013 19910 3359 1 7 . 1 1 30 30 ASP CB C 30 43.450 43.450 42.518 0.932 19910 3360 1 7 . 1 1 30 30 ASP H H 30 8.420 8.420 8.627 -0.207 19910 3361 1 7 . 1 1 31 31 VAL N N 31 123.010 123.010 122.247 0.763 19910 3362 1 7 . 1 1 31 31 VAL HA H 31 4.768 4.768 4.671 0.097 19910 3363 1 7 . 1 1 31 31 VAL C C 31 173.980 173.980 174.728 -0.748 19910 3364 1 7 . 1 1 31 31 VAL CA C 31 60.510 60.510 61.250 -0.740 19910 3365 1 7 . 1 1 31 31 VAL CB C 31 34.730 34.730 33.347 1.383 19910 3366 1 7 . 1 1 31 31 VAL H H 31 8.270 8.270 8.126 0.144 19910 3367 1 7 . 1 1 32 32 TYR N N 32 127.340 127.340 126.316 1.024 19910 3368 1 7 . 1 1 32 32 TYR HA H 32 4.624 4.624 4.913 -0.289 19910 3369 1 7 . 1 1 32 32 TYR C C 32 172.990 172.990 174.459 -1.469 19910 3370 1 7 . 1 1 32 32 TYR CA C 32 56.520 56.520 56.741 -0.221 19910 3371 1 7 . 1 1 32 32 TYR CB C 32 41.870 41.870 41.774 0.096 19910 3372 1 7 . 1 1 32 32 TYR H H 32 8.920 8.920 8.868 0.052 19910 3373 1 7 . 1 1 33 33 PHE N N 33 121.160 121.160 119.606 1.554 19910 3374 1 7 . 1 1 33 33 PHE HA H 33 5.106 5.106 5.971 -0.865 19910 3375 1 7 . 1 1 33 33 PHE C C 33 173.100 173.100 174.682 -1.582 19910 3376 1 7 . 1 1 33 33 PHE CA C 33 55.310 55.310 54.885 0.426 19910 3377 1 7 . 1 1 33 33 PHE CB C 33 40.420 40.420 42.054 -1.634 19910 3378 1 7 . 1 1 33 33 PHE H H 33 7.510 7.510 8.526 -1.016 19910 3379 1 7 . 1 1 34 34 GLU N N 34 120.460 120.460 123.850 -3.390 19910 3380 1 7 . 1 1 34 34 GLU HA H 34 4.099 4.099 4.546 -0.447 19910 3381 1 7 . 1 1 34 34 GLU C C 34 175.700 175.700 176.715 -1.015 19910 3382 1 7 . 1 1 34 34 GLU CA C 34 56.640 56.640 55.703 0.937 19910 3383 1 7 . 1 1 34 34 GLU CB C 34 31.340 31.340 32.796 -1.456 19910 3384 1 7 . 1 1 34 34 GLU H H 34 8.190 8.190 9.149 -0.959 19910 3385 1 7 . 1 1 35 35 GLY N N 35 117.400 117.400 117.717 -0.317 19910 3386 1 7 . 1 1 35 35 GLY C C 35 173.120 173.120 174.524 -1.404 19910 3387 1 7 . 1 1 35 35 GLY CA C 35 47.680 47.680 46.505 1.175 19910 3388 1 7 . 1 1 35 35 GLY H H 35 9.240 9.240 9.238 0.002 19910 3389 1 7 . 1 1 36 36 SER N N 36 122.510 122.510 111.047 11.463 19910 3390 1 7 . 1 1 36 36 SER HA H 36 4.795 4.795 3.945 0.850 19910 3391 1 7 . 1 1 36 36 SER C C 36 172.680 172.680 173.589 -0.909 19910 3392 1 7 . 1 1 36 36 SER CA C 36 57.360 57.360 60.203 -2.843 19910 3393 1 7 . 1 1 36 36 SER CB C 36 64.500 64.500 62.580 1.920 19910 3394 1 7 . 1 1 36 36 SER H H 36 8.930 8.930 8.948 -0.018 19910 3395 1 7 . 1 1 37 37 ASP N N 37 123.120 123.120 122.144 0.976 19910 3396 1 7 . 1 1 37 37 ASP HA H 37 5.192 5.192 4.986 0.206 19910 3397 1 7 . 1 1 37 37 ASP C C 37 174.170 174.170 174.467 -0.297 19910 3398 1 7 . 1 1 37 37 ASP CA C 37 54.340 54.340 53.861 0.479 19910 3399 1 7 . 1 1 37 37 ASP CB C 37 43.810 43.810 41.678 2.132 19910 3400 1 7 . 1 1 37 37 ASP H H 37 8.600 8.600 7.773 0.827 19910 3401 1 7 . 1 1 38 38 PHE N N 38 122.850 122.850 127.885 -5.035 19910 3402 1 7 . 1 1 38 38 PHE HA H 38 5.053 5.053 5.308 -0.255 19910 3403 1 7 . 1 1 38 38 PHE C C 38 172.810 172.810 173.399 -0.589 19910 3404 1 7 . 1 1 38 38 PHE CA C 38 57.000 57.000 56.663 0.337 19910 3405 1 7 . 1 1 38 38 PHE CB C 38 43.080 43.080 41.631 1.449 19910 3406 1 7 . 1 1 38 38 PHE H H 38 8.340 8.340 8.653 -0.313 19910 3407 1 7 . 1 1 39 39 LYS N N 39 126.630 126.630 129.190 -2.560 19910 3408 1 7 . 1 1 39 39 LYS HA H 39 4.816 4.816 4.508 0.308 19910 3409 1 7 . 1 1 39 39 LYS C C 39 172.540 172.540 174.440 -1.900 19910 3410 1 7 . 1 1 39 39 LYS CA C 39 54.890 54.890 54.370 0.520 19910 3411 1 7 . 1 1 39 39 LYS CB C 39 36.790 36.790 33.664 3.126 19910 3412 1 7 . 1 1 39 39 LYS H H 39 8.690 8.690 9.117 -0.427 19910 3413 1 7 . 1 1 40 40 PHE N N 40 123.910 123.910 127.189 -3.279 19910 3414 1 7 . 1 1 40 40 PHE HA H 40 4.923 4.923 5.030 -0.107 19910 3415 1 7 . 1 1 40 40 PHE C C 40 171.900 171.900 172.937 -1.037 19910 3416 1 7 . 1 1 40 40 PHE CA C 40 55.910 55.910 55.560 0.350 19910 3417 1 7 . 1 1 40 40 PHE CB C 40 43.450 43.450 41.839 1.611 19910 3418 1 7 . 1 1 40 40 PHE H H 40 8.750 8.750 8.857 -0.107 19910 3419 1 7 . 1 1 41 41 TYR N N 41 126.490 126.490 128.361 -1.871 19910 3420 1 7 . 1 1 41 41 TYR HA H 41 4.958 4.958 4.769 0.189 19910 3421 1 7 . 1 1 41 41 TYR C C 41 173.070 173.070 173.953 -0.883 19910 3422 1 7 . 1 1 41 41 TYR CA C 41 55.670 55.670 56.367 -0.697 19910 3423 1 7 . 1 1 41 41 TYR CB C 41 41.510 41.510 39.312 2.197 19910 3424 1 7 . 1 1 41 41 TYR H H 41 8.450 8.450 9.007 -0.557 19910 3425 1 7 . 1 1 42 42 ALA N N 42 129.720 129.720 126.662 3.058 19910 3426 1 7 . 1 1 42 42 ALA HA H 42 4.024 4.024 4.824 -0.800 19910 3427 1 7 . 1 1 42 42 ALA C C 42 174.350 174.350 175.763 -1.413 19910 3428 1 7 . 1 1 42 42 ALA CA C 42 51.190 51.190 50.781 0.409 19910 3429 1 7 . 1 1 42 42 ALA CB C 42 20.330 20.330 20.952 -0.622 19910 3430 1 7 . 1 1 42 42 ALA H H 42 7.970 7.970 8.233 -0.263 19910 3431 1 7 . 1 1 43 43 LYS N N 43 124.250 124.250 122.298 1.952 19910 3432 1 7 . 1 1 43 43 LYS HA H 43 3.634 3.634 3.975 -0.341 19910 3433 1 7 . 1 1 43 43 LYS CA C 43 56.260 56.260 57.415 -1.155 19910 3434 1 7 . 1 1 43 43 LYS CB C 43 32.860 32.860 29.658 3.202 19910 3435 1 7 . 1 1 43 43 LYS H H 43 7.850 7.850 8.438 -0.588 19910 3436 1 7 . 1 1 44 44 PRO HA H 44 4.487 4.487 4.184 0.303 19910 3437 1 7 . 1 1 44 44 PRO C C 44 173.980 173.980 176.817 -2.837 19910 3438 1 7 . 1 1 44 44 PRO CA C 44 64.380 64.380 64.624 -0.244 19910 3439 1 7 . 1 1 44 44 PRO CB C 44 34.010 34.010 31.682 2.328 19910 3440 1 7 . 1 1 45 45 TYR N N 45 126.840 126.840 117.332 9.508 19910 3441 1 7 . 1 1 45 45 TYR HA H 45 5.274 5.274 4.456 0.818 19910 3442 1 7 . 1 1 45 45 TYR C C 45 175.290 175.290 174.739 0.551 19910 3443 1 7 . 1 1 45 45 TYR CA C 45 58.330 58.330 58.477 -0.147 19910 3444 1 7 . 1 1 45 45 TYR CB C 45 40.300 40.300 38.051 2.249 19910 3445 1 7 . 1 1 45 45 TYR H H 45 9.360 9.360 7.504 1.856 19910 3446 1 7 . 1 1 46 46 PHE N N 46 121.470 121.470 125.877 -4.407 19910 3447 1 7 . 1 1 46 46 PHE HA H 46 5.422 5.422 5.049 0.373 19910 3448 1 7 . 1 1 46 46 PHE C C 46 173.180 173.180 173.825 -0.645 19910 3449 1 7 . 1 1 46 46 PHE CA C 46 56.520 56.520 56.543 -0.023 19910 3450 1 7 . 1 1 46 46 PHE CB C 46 43.930 43.930 41.686 2.244 19910 3451 1 7 . 1 1 46 46 PHE H H 46 8.870 8.870 8.737 0.133 19910 3452 1 7 . 1 1 47 47 LEU N N 47 129.700 129.700 130.414 -0.714 19910 3453 1 7 . 1 1 47 47 LEU HA H 47 4.565 4.565 4.360 0.205 19910 3454 1 7 . 1 1 47 47 LEU C C 47 171.770 171.770 174.071 -2.301 19910 3455 1 7 . 1 1 47 47 LEU CA C 47 53.130 53.130 53.606 -0.476 19910 3456 1 7 . 1 1 47 47 LEU CB C 47 47.560 47.560 44.489 3.071 19910 3457 1 7 . 1 1 47 47 LEU H H 47 8.850 8.850 8.643 0.207 19910 3458 1 7 . 1 1 48 48 ARG N N 48 127.760 127.760 126.395 1.365 19910 3459 1 7 . 1 1 48 48 ARG HA H 48 5.283 5.283 4.946 0.337 19910 3460 1 7 . 1 1 48 48 ARG C C 48 174.090 174.090 174.779 -0.689 19910 3461 1 7 . 1 1 48 48 ARG CA C 48 54.100 54.100 54.614 -0.514 19910 3462 1 7 . 1 1 48 48 ARG CB C 48 33.160 33.160 31.823 1.337 19910 3463 1 7 . 1 1 48 48 ARG H H 48 8.620 8.620 8.169 0.451 19910 3464 1 7 . 1 1 49 49 LEU N N 49 122.890 122.890 129.310 -6.420 19910 3465 1 7 . 1 1 49 49 LEU HA H 49 4.855 4.855 4.771 0.084 19910 3466 1 7 . 1 1 49 49 LEU C C 49 175.880 175.880 175.496 0.384 19910 3467 1 7 . 1 1 49 49 LEU CA C 49 52.880 52.880 53.989 -1.109 19910 3468 1 7 . 1 1 49 49 LEU CB C 49 47.800 47.800 45.230 2.570 19910 3469 1 7 . 1 1 49 49 LEU H H 49 8.970 8.970 8.915 0.055 19910 3470 1 7 . 1 1 50 50 THR N N 50 118.610 118.610 120.072 -1.462 19910 3471 1 7 . 1 1 50 50 THR HA H 50 4.862 4.862 4.781 0.081 19910 3472 1 7 . 1 1 50 50 THR C C 50 174.610 174.610 174.600 0.010 19910 3473 1 7 . 1 1 50 50 THR CA C 50 61.110 61.110 61.700 -0.590 19910 3474 1 7 . 1 1 50 50 THR CB C 50 69.220 69.220 68.939 0.281 19910 3475 1 7 . 1 1 50 50 THR H H 50 8.670 8.670 8.471 0.199 19910 3476 1 7 . 1 1 51 51 LEU N N 51 126.300 126.300 127.943 -1.643 19910 3477 1 7 . 1 1 51 51 LEU HA H 51 4.302 4.302 4.285 0.017 19910 3478 1 7 . 1 1 51 51 LEU CA C 51 52.650 52.650 53.212 -0.562 19910 3479 1 7 . 1 1 51 51 LEU CB C 51 41.950 41.950 41.199 0.751 19910 3480 1 7 . 1 1 51 51 LEU H H 51 9.540 9.540 8.174 1.366 19910 3481 1 7 . 1 1 52 52 PRO HA H 52 4.401 4.401 4.204 0.197 19910 3482 1 7 . 1 1 52 52 PRO C C 52 174.240 174.240 176.596 -2.356 19910 3483 1 7 . 1 1 52 52 PRO CA C 52 62.690 62.690 63.870 -1.179 19910 3484 1 7 . 1 1 52 52 PRO CB C 52 30.620 30.620 31.988 -1.368 19910 3485 1 7 . 1 1 53 53 GLY N N 53 105.990 105.990 106.193 -0.203 19910 3486 1 7 . 1 1 53 53 GLY C C 53 170.520 170.520 172.397 -1.877 19910 3487 1 7 . 1 1 53 53 GLY CA C 53 43.450 43.450 43.022 0.428 19910 3488 1 7 . 1 1 53 53 GLY H H 53 6.550 6.550 6.928 -0.378 19910 3489 1 7 . 1 1 54 54 ARG N N 54 115.660 115.660 118.737 -3.077 19910 3490 1 7 . 1 1 54 54 ARG HA H 54 4.347 4.347 4.654 -0.307 19910 3491 1 7 . 1 1 54 54 ARG C C 54 176.940 176.940 174.497 2.443 19910 3492 1 7 . 1 1 54 54 ARG CA C 54 55.890 55.890 54.861 1.030 19910 3493 1 7 . 1 1 54 54 ARG CB C 54 32.310 32.310 32.608 -0.298 19910 3494 1 7 . 1 1 54 54 ARG H H 54 8.210 8.210 8.298 -0.088 19910 3495 1 7 . 1 1 55 55 ILE N N 55 118.910 118.910 123.480 -4.570 19910 3496 1 7 . 1 1 55 55 ILE HA H 55 5.003 5.003 4.721 0.282 19910 3497 1 7 . 1 1 55 55 ILE C C 55 175.310 175.310 175.455 -0.145 19910 3498 1 7 . 1 1 55 55 ILE CA C 55 58.500 58.500 59.858 -1.358 19910 3499 1 7 . 1 1 55 55 ILE CB C 55 40.950 40.950 40.564 0.386 19910 3500 1 7 . 1 1 55 55 ILE H H 55 8.640 8.640 8.812 -0.172 19910 3501 1 7 . 1 1 56 56 VAL N N 56 118.140 118.140 125.429 -7.289 19910 3502 1 7 . 1 1 56 56 VAL HA H 56 4.438 4.438 4.009 0.429 19910 3503 1 7 . 1 1 56 56 VAL C C 56 172.920 172.920 174.994 -2.074 19910 3504 1 7 . 1 1 56 56 VAL CA C 56 60.510 60.510 63.335 -2.825 19910 3505 1 7 . 1 1 56 56 VAL CB C 56 34.850 34.850 33.041 1.809 19910 3506 1 7 . 1 1 56 56 VAL H H 56 8.330 8.330 7.918 0.412 19910 3507 1 7 . 1 1 57 57 GLU N N 57 123.300 123.300 126.016 -2.716 19910 3508 1 7 . 1 1 57 57 GLU HA H 57 4.358 4.358 4.722 -0.364 19910 3509 1 7 . 1 1 57 57 GLU C C 57 176.350 176.350 175.275 1.075 19910 3510 1 7 . 1 1 57 57 GLU CA C 57 55.890 55.890 56.009 -0.119 19910 3511 1 7 . 1 1 57 57 GLU CB C 57 29.880 29.880 30.974 -1.094 19910 3512 1 7 . 1 1 57 57 GLU H H 57 8.380 8.380 8.699 -0.319 19910 3513 1 7 . 1 1 58 58 ASN N N 58 121.570 121.570 122.439 -0.869 19910 3514 1 7 . 1 1 58 58 ASN HA H 58 4.764 4.764 4.791 -0.027 19910 3515 1 7 . 1 1 58 58 ASN C C 58 176.120 176.120 175.189 0.931 19910 3516 1 7 . 1 1 58 58 ASN CA C 58 52.760 52.760 54.102 -1.342 19910 3517 1 7 . 1 1 58 58 ASN CB C 58 38.970 38.970 39.239 -0.268 19910 3518 1 7 . 1 1 58 58 ASN H H 58 8.360 8.360 8.908 -0.548 19910 3519 1 7 . 1 1 59 59 GLY N N 59 112.050 112.050 108.599 3.451 19910 3520 1 7 . 1 1 59 59 GLY C C 59 174.840 174.840 175.268 -0.428 19910 3521 1 7 . 1 1 59 59 GLY CA C 59 45.380 45.380 45.084 0.296 19910 3522 1 7 . 1 1 59 59 GLY H H 59 9.350 9.350 8.656 0.694 19910 3523 1 7 . 1 1 60 60 SER N N 60 115.430 115.430 117.068 -1.638 19910 3524 1 7 . 1 1 60 60 SER HA H 60 4.536 4.536 4.488 0.048 19910 3525 1 7 . 1 1 60 60 SER C C 60 174.140 174.140 175.160 -1.020 19910 3526 1 7 . 1 1 60 60 SER CA C 60 58.810 58.810 59.179 -0.369 19910 3527 1 7 . 1 1 60 60 SER CB C 60 64.140 64.140 63.328 0.812 19910 3528 1 7 . 1 1 60 60 SER H H 60 8.350 8.350 8.318 0.033 19910 3529 1 7 . 1 1 61 61 GLU N N 61 122.950 122.950 118.992 3.958 19910 3530 1 7 . 1 1 61 61 GLU HA H 61 4.525 4.525 4.027 0.498 19910 3531 1 7 . 1 1 61 61 GLU C C 61 175.550 175.550 175.881 -0.331 19910 3532 1 7 . 1 1 61 61 GLU CA C 61 56.520 56.520 57.453 -0.933 19910 3533 1 7 . 1 1 61 61 GLU CB C 61 29.530 29.530 29.299 0.232 19910 3534 1 7 . 1 1 61 61 GLU H H 61 8.910 8.910 8.202 0.708 19910 3535 1 7 . 1 1 62 62 GLN N N 62 120.280 120.280 117.763 2.517 19910 3536 1 7 . 1 1 62 62 GLN HA H 62 4.601 4.601 4.550 0.051 19910 3537 1 7 . 1 1 62 62 GLN C C 62 175.700 175.700 174.115 1.585 19910 3538 1 7 . 1 1 62 62 GLN CA C 62 55.430 55.430 54.857 0.573 19910 3539 1 7 . 1 1 62 62 GLN CB C 62 31.340 31.340 34.001 -2.661 19910 3540 1 7 . 1 1 62 62 GLN H H 62 8.310 8.310 8.198 0.112 19910 3541 1 7 . 1 1 63 63 GLY N N 63 111.400 111.400 108.637 2.763 19910 3542 1 7 . 1 1 63 63 GLY C C 63 172.550 172.550 172.561 -0.011 19910 3543 1 7 . 1 1 63 63 GLY CA C 63 44.690 44.690 45.540 -0.850 19910 3544 1 7 . 1 1 63 63 GLY H H 63 8.880 8.880 8.279 0.601 19910 3545 1 7 . 1 1 64 64 SER N N 64 115.080 115.080 113.946 1.134 19910 3546 1 7 . 1 1 64 64 SER HA H 64 4.629 4.629 4.748 -0.119 19910 3547 1 7 . 1 1 64 64 SER C C 64 171.770 171.770 172.295 -0.525 19910 3548 1 7 . 1 1 64 64 SER CA C 64 57.120 57.120 57.821 -0.701 19910 3549 1 7 . 1 1 64 64 SER CB C 64 65.230 65.230 65.469 -0.239 19910 3550 1 7 . 1 1 64 64 SER H H 64 8.280 8.280 9.004 -0.724 19910 3551 1 7 . 1 1 65 65 TYR N N 65 124.640 124.640 127.136 -2.496 19910 3552 1 7 . 1 1 65 65 TYR HA H 65 5.198 5.198 5.616 -0.418 19910 3553 1 7 . 1 1 65 65 TYR C C 65 173.640 173.640 174.811 -1.171 19910 3554 1 7 . 1 1 65 65 TYR CA C 65 55.670 55.670 56.837 -1.167 19910 3555 1 7 . 1 1 65 65 TYR CB C 65 40.900 40.900 41.701 -0.801 19910 3556 1 7 . 1 1 65 65 TYR H H 65 8.980 8.980 8.536 0.445 19910 3557 1 7 . 1 1 66 66 ASP N N 66 128.570 128.570 126.552 2.018 19910 3558 1 7 . 1 1 66 66 ASP HA H 66 4.532 4.532 4.723 -0.191 19910 3559 1 7 . 1 1 66 66 ASP C C 66 175.340 175.340 175.133 0.207 19910 3560 1 7 . 1 1 66 66 ASP CA C 66 51.800 51.800 52.360 -0.560 19910 3561 1 7 . 1 1 66 66 ASP CB C 66 41.510 41.510 42.468 -0.959 19910 3562 1 7 . 1 1 66 66 ASP H H 66 8.000 8.000 8.456 -0.456 19910 3563 1 7 . 1 1 67 67 ALA N N 67 127.520 127.520 126.749 0.771 19910 3564 1 7 . 1 1 67 67 ALA HA H 67 3.597 3.597 4.030 -0.433 19910 3565 1 7 . 1 1 67 67 ALA C C 67 178.770 178.770 178.363 0.407 19910 3566 1 7 . 1 1 67 67 ALA CA C 67 53.850 53.850 54.060 -0.210 19910 3567 1 7 . 1 1 67 67 ALA CB C 67 18.640 18.640 18.450 0.190 19910 3568 1 7 . 1 1 67 67 ALA H H 67 8.460 8.460 8.474 -0.014 19910 3569 1 7 . 1 1 68 68 ASP N N 68 117.850 117.850 118.814 -0.964 19910 3570 1 7 . 1 1 68 68 ASP HA H 68 4.340 4.340 4.470 -0.130 19910 3571 1 7 . 1 1 68 68 ASP C C 68 177.780 177.780 177.707 0.073 19910 3572 1 7 . 1 1 68 68 ASP CA C 68 56.760 56.760 56.216 0.544 19910 3573 1 7 . 1 1 68 68 ASP CB C 68 40.900 40.900 40.477 0.423 19910 3574 1 7 . 1 1 68 68 ASP H H 68 7.980 7.980 8.401 -0.421 19910 3575 1 7 . 1 1 69 69 LYS N N 69 115.790 115.790 119.119 -3.329 19910 3576 1 7 . 1 1 69 69 LYS HA H 69 4.119 4.119 4.274 -0.155 19910 3577 1 7 . 1 1 69 69 LYS C C 69 177.130 177.130 176.868 0.262 19910 3578 1 7 . 1 1 69 69 LYS CA C 69 56.150 56.150 56.708 -0.558 19910 3579 1 7 . 1 1 69 69 LYS CB C 69 34.010 34.010 32.856 1.154 19910 3580 1 7 . 1 1 69 69 LYS H H 69 7.390 7.390 7.967 -0.577 19910 3581 1 7 . 1 1 70 70 GLY N N 70 110.040 110.040 108.593 1.447 19910 3582 1 7 . 1 1 70 70 GLY C C 70 174.040 174.040 173.735 0.305 19910 3583 1 7 . 1 1 70 70 GLY CA C 70 46.830 46.830 45.677 1.153 19910 3584 1 7 . 1 1 70 70 GLY H H 70 8.030 8.030 7.654 0.376 19910 3585 1 7 . 1 1 71 71 ILE N N 71 115.810 115.810 119.020 -3.210 19910 3586 1 7 . 1 1 71 71 ILE HA H 71 4.861 4.861 4.575 0.286 19910 3587 1 7 . 1 1 71 71 ILE C C 71 175.520 175.520 173.813 1.707 19910 3588 1 7 . 1 1 71 71 ILE CA C 71 59.420 59.420 60.961 -1.541 19910 3589 1 7 . 1 1 71 71 ILE CB C 71 42.240 42.240 41.868 0.372 19910 3590 1 7 . 1 1 71 71 ILE H H 71 6.990 6.990 8.056 -1.066 19910 3591 1 7 . 1 1 72 72 PHE N N 72 132.630 132.630 129.204 3.426 19910 3592 1 7 . 1 1 72 72 PHE HA H 72 5.377 5.377 5.380 -0.003 19910 3593 1 7 . 1 1 72 72 PHE C C 72 173.310 173.310 173.848 -0.538 19910 3594 1 7 . 1 1 72 72 PHE CA C 72 56.150 56.150 55.331 0.819 19910 3595 1 7 . 1 1 72 72 PHE CB C 72 41.630 41.630 41.300 0.330 19910 3596 1 7 . 1 1 72 72 PHE H H 72 9.720 9.720 9.373 0.347 19910 3597 1 7 . 1 1 73 73 THR N N 73 124.190 124.190 125.873 -1.683 19910 3598 1 7 . 1 1 73 73 THR HA H 73 5.047 5.047 5.022 0.025 19910 3599 1 7 . 1 1 73 73 THR C C 73 172.660 172.660 172.623 0.037 19910 3600 1 7 . 1 1 73 73 THR CA C 73 61.480 61.480 61.610 -0.130 19910 3601 1 7 . 1 1 73 73 THR CB C 73 69.950 69.950 70.385 -0.435 19910 3602 1 7 . 1 1 73 73 THR H H 73 8.610 8.610 8.981 -0.371 19910 3603 1 7 . 1 1 74 74 ILE N N 74 125.780 125.780 125.227 0.553 19910 3604 1 7 . 1 1 74 74 ILE HA H 74 4.557 4.557 4.520 0.037 19910 3605 1 7 . 1 1 74 74 ILE C C 74 171.480 171.480 173.405 -1.925 19910 3606 1 7 . 1 1 74 74 ILE CA C 74 59.060 59.060 58.457 0.603 19910 3607 1 7 . 1 1 74 74 ILE CB C 74 41.510 41.510 41.730 -0.220 19910 3608 1 7 . 1 1 74 74 ILE H H 74 8.850 8.850 8.104 0.746 19910 3609 1 7 . 1 1 75 75 ARG N N 75 127.330 127.330 122.682 4.648 19910 3610 1 7 . 1 1 75 75 ARG HA H 75 4.859 4.859 4.841 0.018 19910 3611 1 7 . 1 1 75 75 ARG C C 75 174.790 174.790 174.461 0.329 19910 3612 1 7 . 1 1 75 75 ARG CA C 75 54.460 54.460 54.377 0.083 19910 3613 1 7 . 1 1 75 75 ARG CB C 75 31.460 31.460 33.835 -2.375 19910 3614 1 7 . 1 1 75 75 ARG H H 75 8.320 8.320 8.874 -0.554 19910 3615 1 7 . 1 1 76 76 LEU N N 76 125.120 125.120 122.601 2.519 19910 3616 1 7 . 1 1 76 76 LEU HA H 76 4.819 4.819 4.838 -0.019 19910 3617 1 7 . 1 1 76 76 LEU CA C 76 50.530 50.530 51.426 -0.896 19910 3618 1 7 . 1 1 76 76 LEU CB C 76 43.070 43.070 44.909 -1.839 19910 3619 1 7 . 1 1 76 76 LEU H H 76 9.300 9.300 8.365 0.935 19910 3620 1 7 . 1 1 77 77 PRO HA H 77 4.114 4.114 4.738 -0.624 19910 3621 1 7 . 1 1 77 77 PRO C C 77 176.430 176.430 176.646 -0.216 19910 3622 1 7 . 1 1 77 77 PRO CA C 77 62.080 62.080 62.100 -0.020 19910 3623 1 7 . 1 1 77 77 PRO CB C 77 31.220 31.220 32.381 -1.161 19910 3624 1 7 . 1 1 78 78 LYS N N 78 122.800 122.800 119.805 2.995 19910 3625 1 7 . 1 1 78 78 LYS HA H 78 4.062 4.062 4.535 -0.473 19910 3626 1 7 . 1 1 78 78 LYS C C 78 176.590 176.590 176.781 -0.191 19910 3627 1 7 . 1 1 78 78 LYS CA C 78 57.730 57.730 54.429 3.301 19910 3628 1 7 . 1 1 78 78 LYS CB C 78 32.800 32.800 33.532 -0.732 19910 3629 1 7 . 1 1 78 78 LYS H H 78 7.790 7.790 7.561 0.229 19910 3630 1 7 . 1 1 79 79 GLU N N 79 124.540 124.540 122.371 2.169 19910 3631 1 7 . 1 1 79 79 GLU HA H 79 3.689 3.689 4.223 -0.534 19910 3632 1 7 . 1 1 79 79 GLU C C 79 176.300 176.300 176.041 0.259 19910 3633 1 7 . 1 1 79 79 GLU CA C 79 59.420 59.420 58.166 1.254 19910 3634 1 7 . 1 1 79 79 GLU CB C 79 30.500 30.500 30.134 0.367 19910 3635 1 7 . 1 1 79 79 GLU H H 79 8.520 8.520 8.688 -0.168 19910 3636 1 7 . 1 1 80 80 THR N N 80 115.960 115.960 115.688 0.272 19910 3637 1 7 . 1 1 80 80 THR HA H 80 4.485 4.485 4.643 -0.158 19910 3638 1 7 . 1 1 80 80 THR CA C 80 59.120 59.120 59.968 -0.848 19910 3639 1 7 . 1 1 80 80 THR CB C 80 69.330 69.330 70.194 -0.864 19910 3640 1 7 . 1 1 80 80 THR H H 80 9.070 9.070 7.592 1.478 19910 3641 1 7 . 1 1 81 81 PRO HA H 81 4.070 4.070 4.273 -0.203 19910 3642 1 7 . 1 1 81 81 PRO C C 81 177.860 177.860 178.210 -0.350 19910 3643 1 7 . 1 1 81 81 PRO CA C 81 63.900 63.900 63.056 0.844 19910 3644 1 7 . 1 1 81 81 PRO CB C 81 31.460 31.460 31.938 -0.478 19910 3645 1 7 . 1 1 82 82 GLY N N 82 113.580 113.580 110.496 3.084 19910 3646 1 7 . 1 1 82 82 GLY C C 82 174.870 174.870 174.133 0.737 19910 3647 1 7 . 1 1 82 82 GLY CA C 82 45.140 45.140 44.809 0.331 19910 3648 1 7 . 1 1 82 82 GLY H H 82 9.150 9.150 8.414 0.736 19910 3649 1 7 . 1 1 83 83 GLN N N 83 122.820 122.820 120.489 2.331 19910 3650 1 7 . 1 1 83 83 GLN HA H 83 4.159 4.159 4.393 -0.234 19910 3651 1 7 . 1 1 83 83 GLN C C 83 175.180 175.180 174.895 0.285 19910 3652 1 7 . 1 1 83 83 GLN CA C 83 56.390 56.390 55.561 0.829 19910 3653 1 7 . 1 1 83 83 GLN CB C 83 29.410 29.410 30.250 -0.840 19910 3654 1 7 . 1 1 83 83 GLN H H 83 7.960 7.960 7.518 0.442 19910 3655 1 7 . 1 1 84 84 HIS N N 84 131.340 131.340 125.523 5.817 19910 3656 1 7 . 1 1 84 84 HIS HA H 84 4.299 4.299 4.747 -0.448 19910 3657 1 7 . 1 1 84 84 HIS C C 84 175.300 175.300 174.183 1.117 19910 3658 1 7 . 1 1 84 84 HIS CA C 84 56.640 56.640 55.015 1.625 19910 3659 1 7 . 1 1 84 84 HIS CB C 84 30.980 30.980 32.469 -1.489 19910 3660 1 7 . 1 1 84 84 HIS H H 84 9.220 9.220 8.651 0.569 19910 3661 1 7 . 1 1 85 85 PHE N N 85 130.320 130.320 126.052 4.268 19910 3662 1 7 . 1 1 85 85 PHE HA H 85 4.722 4.722 4.512 0.210 19910 3663 1 7 . 1 1 85 85 PHE C C 85 174.890 174.890 175.607 -0.717 19910 3664 1 7 . 1 1 85 85 PHE CA C 85 54.580 54.580 55.303 -0.723 19910 3665 1 7 . 1 1 85 85 PHE CB C 85 36.430 36.430 37.268 -0.838 19910 3666 1 7 . 1 1 85 85 PHE H H 85 9.130 9.130 8.598 0.532 19910 3667 1 7 . 1 1 86 86 GLU N N 86 126.010 126.010 124.164 1.846 19910 3668 1 7 . 1 1 86 86 GLU HA H 86 4.199 4.199 4.322 -0.123 19910 3669 1 7 . 1 1 86 86 GLU C C 86 177.000 177.000 177.731 -0.731 19910 3670 1 7 . 1 1 86 86 GLU CA C 86 55.910 55.910 56.696 -0.786 19910 3671 1 7 . 1 1 86 86 GLU CB C 86 30.620 30.620 30.902 -0.282 19910 3672 1 7 . 1 1 86 86 GLU H H 86 8.900 8.900 7.958 0.942 19910 3673 1 7 . 1 1 87 87 GLY N N 87 108.540 108.540 108.363 0.177 19910 3674 1 7 . 1 1 87 87 GLY C C 87 177.370 177.370 175.369 2.001 19910 3675 1 7 . 1 1 87 87 GLY CA C 87 46.590 46.590 46.263 0.327 19910 3676 1 7 . 1 1 87 87 GLY H H 87 8.610 8.610 8.751 -0.141 19910 3677 1 7 . 1 1 88 88 LEU N N 88 119.830 119.830 119.954 -0.124 19910 3678 1 7 . 1 1 88 88 LEU HA H 88 3.775 3.775 4.036 -0.261 19910 3679 1 7 . 1 1 88 88 LEU C C 88 177.500 177.500 178.211 -0.711 19910 3680 1 7 . 1 1 88 88 LEU CA C 88 57.850 57.850 57.561 0.289 19910 3681 1 7 . 1 1 88 88 LEU CB C 88 40.780 40.780 41.934 -1.154 19910 3682 1 7 . 1 1 88 88 LEU H H 88 8.370 8.370 7.953 0.417 19910 3683 1 7 . 1 1 89 89 ASN N N 89 112.390 112.390 115.381 -2.991 19910 3684 1 7 . 1 1 89 89 ASN HA H 89 4.524 4.524 4.642 -0.118 19910 3685 1 7 . 1 1 89 89 ASN C C 89 175.440 175.440 174.968 0.472 19910 3686 1 7 . 1 1 89 89 ASN CA C 89 54.340 54.340 54.468 -0.128 19910 3687 1 7 . 1 1 89 89 ASN CB C 89 37.030 37.030 38.433 -1.403 19910 3688 1 7 . 1 1 89 89 ASN H H 89 8.470 8.470 8.339 0.131 19910 3689 1 7 . 1 1 90 90 MET N N 90 117.460 117.460 116.974 0.486 19910 3690 1 7 . 1 1 90 90 MET HA H 90 4.626 4.626 4.576 0.050 19910 3691 1 7 . 1 1 90 90 MET C C 90 176.040 176.040 176.361 -0.321 19910 3692 1 7 . 1 1 90 90 MET CA C 90 54.340 54.340 55.604 -1.264 19910 3693 1 7 . 1 1 90 90 MET CB C 90 32.550 32.550 33.735 -1.185 19910 3694 1 7 . 1 1 90 90 MET H H 90 7.460 7.460 7.500 -0.040 19910 3695 1 7 . 1 1 91 91 LEU N N 91 121.330 121.330 121.271 0.059 19910 3696 1 7 . 1 1 91 91 LEU HA H 91 4.277 4.277 4.473 -0.196 19910 3697 1 7 . 1 1 91 91 LEU C C 91 176.870 176.870 175.691 1.179 19910 3698 1 7 . 1 1 91 91 LEU CA C 91 56.390 56.390 56.030 0.360 19910 3699 1 7 . 1 1 91 91 LEU CB C 91 42.480 42.480 42.251 0.229 19910 3700 1 7 . 1 1 91 91 LEU H H 91 7.280 7.280 7.945 -0.665 19910 3701 1 7 . 1 1 92 92 THR N N 92 113.970 113.970 114.833 -0.863 19910 3702 1 7 . 1 1 92 92 THR HA H 92 4.582 4.582 4.564 0.018 19910 3703 1 7 . 1 1 92 92 THR C C 92 173.180 173.180 173.067 0.113 19910 3704 1 7 . 1 1 92 92 THR CA C 92 60.390 60.390 60.940 -0.550 19910 3705 1 7 . 1 1 92 92 THR CB C 92 71.160 71.160 70.459 0.701 19910 3706 1 7 . 1 1 92 92 THR H H 92 8.110 8.110 8.101 0.009 19910 3707 1 7 . 1 1 93 93 ALA N N 93 124.650 124.650 124.822 -0.172 19910 3708 1 7 . 1 1 93 93 ALA HA H 93 4.245 4.245 4.748 -0.503 19910 3709 1 7 . 1 1 93 93 ALA C C 93 177.650 177.650 177.731 -0.081 19910 3710 1 7 . 1 1 93 93 ALA CA C 93 52.640 52.640 51.201 1.439 19910 3711 1 7 . 1 1 93 93 ALA CB C 93 19.670 19.670 20.194 -0.524 19910 3712 1 7 . 1 1 93 93 ALA H H 93 8.430 8.430 8.324 0.106 19910 3713 1 7 . 1 1 94 94 LEU N N 94 123.150 123.150 121.420 1.730 19910 3714 1 7 . 1 1 94 94 LEU HA H 94 4.450 4.450 4.666 -0.216 19910 3715 1 7 . 1 1 94 94 LEU C C 94 177.420 177.420 176.414 1.006 19910 3716 1 7 . 1 1 94 94 LEU CA C 94 54.940 54.940 54.408 0.532 19910 3717 1 7 . 1 1 94 94 LEU CB C 94 42.480 42.480 41.949 0.531 19910 3718 1 7 . 1 1 94 94 LEU H H 94 8.450 8.450 8.370 0.080 19910 3719 1 7 . 1 1 95 95 LEU N N 95 124.390 124.390 126.417 -2.027 19910 3720 1 7 . 1 1 95 95 LEU HA H 95 4.409 4.409 4.582 -0.173 19910 3721 1 7 . 1 1 95 95 LEU C C 95 175.990 175.990 177.268 -1.278 19910 3722 1 7 . 1 1 95 95 LEU CA C 95 55.060 55.060 54.125 0.935 19910 3723 1 7 . 1 1 95 95 LEU CB C 95 42.360 42.360 41.255 1.105 19910 3724 1 7 . 1 1 95 95 LEU H H 95 8.380 8.380 8.567 -0.187 19910 3725 1 8 . 1 1 2 2 LEU N N 2 123.170 123.170 123.485 -0.315 19910 3726 1 8 . 1 1 2 2 LEU HA H 2 4.588 4.588 4.775 -0.187 19910 3727 1 8 . 1 1 2 2 LEU C C 2 176.260 176.260 176.374 -0.114 19910 3728 1 8 . 1 1 2 2 LEU CA C 2 53.730 53.730 54.558 -0.828 19910 3729 1 8 . 1 1 2 2 LEU CB C 2 44.290 44.290 43.410 0.880 19910 3730 1 8 . 1 1 2 2 LEU H H 2 8.690 8.690 8.121 0.569 19910 3731 1 8 . 1 1 3 3 THR N N 3 120.960 120.960 118.261 2.699 19910 3732 1 8 . 1 1 3 3 THR HA H 3 5.193 5.193 4.565 0.628 19910 3733 1 8 . 1 1 3 3 THR CA C 3 59.990 59.990 60.547 -0.557 19910 3734 1 8 . 1 1 3 3 THR CB C 3 69.950 69.950 69.571 0.379 19910 3735 1 8 . 1 1 3 3 THR H H 3 8.850 8.850 8.301 0.549 19910 3736 1 8 . 1 1 4 4 PRO HA H 4 4.718 4.718 4.273 0.445 19910 3737 1 8 . 1 1 4 4 PRO C C 4 175.870 175.870 176.450 -0.580 19910 3738 1 8 . 1 1 4 4 PRO CA C 4 62.080 62.080 62.613 -0.533 19910 3739 1 8 . 1 1 4 4 PRO CB C 4 31.950 31.950 32.228 -0.278 19910 3740 1 8 . 1 1 5 5 ALA N N 5 122.560 122.560 126.017 -3.457 19910 3741 1 8 . 1 1 5 5 ALA HA H 5 4.348 4.348 4.283 0.065 19910 3742 1 8 . 1 1 5 5 ALA C C 5 176.360 176.360 176.908 -0.548 19910 3743 1 8 . 1 1 5 5 ALA CA C 5 52.280 52.280 51.394 0.886 19910 3744 1 8 . 1 1 5 5 ALA CB C 5 18.880 18.880 17.181 1.699 19910 3745 1 8 . 1 1 5 5 ALA H H 5 8.400 8.400 8.341 0.059 19910 3746 1 8 . 1 1 6 6 PHE N N 6 115.160 115.160 119.294 -4.134 19910 3747 1 8 . 1 1 6 6 PHE HA H 6 5.537 5.537 4.445 1.092 19910 3748 1 8 . 1 1 6 6 PHE C C 6 172.590 172.590 174.827 -2.237 19910 3749 1 8 . 1 1 6 6 PHE CA C 6 55.430 55.430 56.912 -1.482 19910 3750 1 8 . 1 1 6 6 PHE CB C 6 42.240 42.240 39.424 2.816 19910 3751 1 8 . 1 1 6 6 PHE H H 6 7.740 7.740 7.926 -0.186 19910 3752 1 8 . 1 1 7 7 ASP N N 7 118.960 118.960 119.517 -0.557 19910 3753 1 8 . 1 1 7 7 ASP HA H 7 4.813 4.813 4.790 0.023 19910 3754 1 8 . 1 1 7 7 ASP C C 7 174.530 174.530 173.699 0.831 19910 3755 1 8 . 1 1 7 7 ASP CA C 7 53.370 53.370 53.423 -0.053 19910 3756 1 8 . 1 1 7 7 ASP CB C 7 45.380 45.380 44.195 1.185 19910 3757 1 8 . 1 1 7 7 ASP H H 7 8.910 8.910 8.681 0.228 19910 3758 1 8 . 1 1 8 8 LEU N N 8 123.470 123.470 122.643 0.827 19910 3759 1 8 . 1 1 8 8 LEU HA H 8 5.284 5.284 4.638 0.646 19910 3760 1 8 . 1 1 8 8 LEU C C 8 175.420 175.420 176.354 -0.934 19910 3761 1 8 . 1 1 8 8 LEU CA C 8 53.850 53.850 53.843 0.007 19910 3762 1 8 . 1 1 8 8 LEU CB C 8 45.620 45.620 44.077 1.544 19910 3763 1 8 . 1 1 8 8 LEU H H 8 8.750 8.750 8.369 0.381 19910 3764 1 8 . 1 1 9 9 SER N N 9 115.920 115.920 118.087 -2.167 19910 3765 1 8 . 1 1 9 9 SER HA H 9 4.486 4.486 4.759 -0.273 19910 3766 1 8 . 1 1 9 9 SER C C 9 171.680 171.680 172.707 -1.027 19910 3767 1 8 . 1 1 9 9 SER CA C 9 57.000 57.000 57.737 -0.737 19910 3768 1 8 . 1 1 9 9 SER CB C 9 65.590 65.590 65.403 0.187 19910 3769 1 8 . 1 1 9 9 SER H H 9 8.860 8.860 8.698 0.162 19910 3770 1 8 . 1 1 10 10 GLN N N 10 115.230 115.230 122.760 -7.530 19910 3771 1 8 . 1 1 10 10 GLN HA H 10 5.375 5.375 4.468 0.907 19910 3772 1 8 . 1 1 10 10 GLN C C 10 172.130 172.130 173.199 -1.069 19910 3773 1 8 . 1 1 10 10 GLN CA C 10 54.270 54.270 54.056 0.214 19910 3774 1 8 . 1 1 10 10 GLN CB C 10 32.990 32.990 31.560 1.430 19910 3775 1 8 . 1 1 10 10 GLN H H 10 8.800 8.800 8.350 0.450 19910 3776 1 8 . 1 1 11 11 ASP N N 11 124.270 124.270 122.316 1.954 19910 3777 1 8 . 1 1 11 11 ASP HA H 11 4.768 4.768 5.434 -0.666 19910 3778 1 8 . 1 1 11 11 ASP CA C 11 52.530 52.530 50.914 1.616 19910 3779 1 8 . 1 1 11 11 ASP CB C 11 42.200 42.200 44.324 -2.124 19910 3780 1 8 . 1 1 11 11 ASP H H 11 8.680 8.680 8.863 -0.183 19910 3781 1 8 . 1 1 12 12 PRO HA H 12 4.050 4.050 4.574 -0.524 19910 3782 1 8 . 1 1 12 12 PRO C C 12 175.290 175.290 175.884 -0.594 19910 3783 1 8 . 1 1 12 12 PRO CA C 12 66.920 66.920 64.644 2.276 19910 3784 1 8 . 1 1 12 12 PRO CB C 12 31.950 31.950 32.215 -0.265 19910 3785 1 8 . 1 1 13 13 ASP N N 13 110.550 110.550 115.221 -4.671 19910 3786 1 8 . 1 1 13 13 ASP HA H 13 4.632 4.632 4.703 -0.071 19910 3787 1 8 . 1 1 13 13 ASP C C 13 176.480 176.480 174.115 2.365 19910 3788 1 8 . 1 1 13 13 ASP CA C 13 54.940 54.940 53.975 0.965 19910 3789 1 8 . 1 1 13 13 ASP CB C 13 44.410 44.410 43.258 1.152 19910 3790 1 8 . 1 1 13 13 ASP H H 13 7.990 7.990 8.502 -0.512 19910 3791 1 8 . 1 1 14 14 PHE N N 14 118.880 118.880 115.737 3.143 19910 3792 1 8 . 1 1 14 14 PHE HA H 14 5.049 5.049 4.750 0.299 19910 3793 1 8 . 1 1 14 14 PHE C C 14 174.690 174.690 173.004 1.686 19910 3794 1 8 . 1 1 14 14 PHE CA C 14 57.600 57.600 57.335 0.265 19910 3795 1 8 . 1 1 14 14 PHE CB C 14 42.960 42.960 43.087 -0.128 19910 3796 1 8 . 1 1 14 14 PHE H H 14 8.390 8.390 7.835 0.555 19910 3797 1 8 . 1 1 15 15 LEU N N 15 123.990 123.990 121.611 2.379 19910 3798 1 8 . 1 1 15 15 LEU HA H 15 4.613 4.613 4.644 -0.031 19910 3799 1 8 . 1 1 15 15 LEU C C 15 174.780 174.780 174.777 0.003 19910 3800 1 8 . 1 1 15 15 LEU CA C 15 53.250 53.250 53.981 -0.731 19910 3801 1 8 . 1 1 15 15 LEU CB C 15 45.020 45.020 44.276 0.744 19910 3802 1 8 . 1 1 15 15 LEU H H 15 9.200 9.200 8.935 0.265 19910 3803 1 8 . 1 1 16 16 THR N N 16 122.960 122.960 124.010 -1.050 19910 3804 1 8 . 1 1 16 16 THR HA H 16 4.849 4.849 5.039 -0.190 19910 3805 1 8 . 1 1 16 16 THR C C 16 172.810 172.810 173.766 -0.956 19910 3806 1 8 . 1 1 16 16 THR CA C 16 62.690 62.690 61.315 1.375 19910 3807 1 8 . 1 1 16 16 THR CB C 16 69.340 69.340 70.765 -1.425 19910 3808 1 8 . 1 1 16 16 THR H H 16 9.000 9.000 8.949 0.051 19910 3809 1 8 . 1 1 17 17 ILE N N 17 126.630 126.630 123.775 2.855 19910 3810 1 8 . 1 1 17 17 ILE HA H 17 4.439 4.439 4.145 0.294 19910 3811 1 8 . 1 1 17 17 ILE C C 17 172.580 172.580 173.606 -1.026 19910 3812 1 8 . 1 1 17 17 ILE CA C 17 60.030 60.030 59.514 0.516 19910 3813 1 8 . 1 1 17 17 ILE CB C 17 39.450 39.450 40.897 -1.447 19910 3814 1 8 . 1 1 17 17 ILE H H 17 8.680 8.680 8.076 0.604 19910 3815 1 8 . 1 1 18 18 ALA N N 18 130.190 130.190 126.290 3.900 19910 3816 1 8 . 1 1 18 18 ALA HA H 18 5.215 5.215 5.406 -0.191 19910 3817 1 8 . 1 1 18 18 ALA C C 18 176.660 176.660 175.975 0.685 19910 3818 1 8 . 1 1 18 18 ALA CA C 18 49.980 49.980 50.017 -0.037 19910 3819 1 8 . 1 1 18 18 ALA CB C 18 20.570 20.570 21.590 -1.020 19910 3820 1 8 . 1 1 18 18 ALA H H 18 8.490 8.490 8.441 0.049 19910 3821 1 8 . 1 1 19 19 ILE N N 19 124.920 124.920 123.689 1.231 19910 3822 1 8 . 1 1 19 19 ILE HA H 19 4.307 4.307 4.380 -0.073 19910 3823 1 8 . 1 1 19 19 ILE C C 19 174.710 174.710 174.780 -0.070 19910 3824 1 8 . 1 1 19 19 ILE CA C 19 60.990 60.990 60.187 0.804 19910 3825 1 8 . 1 1 19 19 ILE CB C 19 40.900 40.900 41.083 -0.183 19910 3826 1 8 . 1 1 19 19 ILE H H 19 9.590 9.590 8.642 0.948 19910 3827 1 8 . 1 1 20 20 ARG N N 20 128.960 128.960 127.407 1.553 19910 3828 1 8 . 1 1 20 20 ARG HA H 20 4.642 4.642 4.645 -0.003 19910 3829 1 8 . 1 1 20 20 ARG C C 20 174.890 174.890 175.443 -0.553 19910 3830 1 8 . 1 1 20 20 ARG CA C 20 56.030 56.030 55.609 0.421 19910 3831 1 8 . 1 1 20 20 ARG CB C 20 29.530 29.530 31.244 -1.714 19910 3832 1 8 . 1 1 20 20 ARG H H 20 8.600 8.600 8.763 -0.163 19910 3833 1 8 . 1 1 21 21 VAL N N 21 120.400 120.400 122.424 -2.024 19910 3834 1 8 . 1 1 21 21 VAL HA H 21 4.010 4.010 4.382 -0.372 19910 3835 1 8 . 1 1 21 21 VAL C C 21 174.950 174.950 175.602 -0.652 19910 3836 1 8 . 1 1 21 21 VAL CA C 21 59.420 59.420 59.534 -0.114 19910 3837 1 8 . 1 1 21 21 VAL CB C 21 33.280 33.280 30.872 2.408 19910 3838 1 8 . 1 1 21 21 VAL H H 21 8.020 8.020 8.607 -0.587 19910 3839 1 8 . 1 1 22 22 SER N N 22 118.050 118.050 124.017 -5.967 19910 3840 1 8 . 1 1 22 22 SER HA H 22 4.540 4.540 4.196 0.344 19910 3841 1 8 . 1 1 22 22 SER C C 22 174.110 174.110 175.892 -1.782 19910 3842 1 8 . 1 1 22 22 SER CA C 22 59.540 59.540 60.773 -1.233 19910 3843 1 8 . 1 1 22 22 SER CB C 22 63.600 63.600 63.235 0.365 19910 3844 1 8 . 1 1 22 22 SER H H 22 7.770 7.770 8.017 -0.247 19910 3845 1 8 . 1 1 23 23 TYR N N 23 120.870 120.870 121.161 -0.291 19910 3846 1 8 . 1 1 23 23 TYR HA H 23 4.493 4.493 4.329 0.164 19910 3847 1 8 . 1 1 23 23 TYR C C 23 175.310 175.310 176.418 -1.108 19910 3848 1 8 . 1 1 23 23 TYR CA C 23 58.210 58.210 59.895 -1.685 19910 3849 1 8 . 1 1 23 23 TYR CB C 23 37.880 37.880 38.570 -0.690 19910 3850 1 8 . 1 1 23 23 TYR H H 23 8.300 8.300 8.658 -0.358 19910 3851 1 8 . 1 1 24 24 ALA N N 24 122.670 122.670 118.168 4.502 19910 3852 1 8 . 1 1 24 24 ALA HA H 24 4.303 4.303 4.083 0.220 19910 3853 1 8 . 1 1 24 24 ALA C C 24 177.160 177.160 177.219 -0.059 19910 3854 1 8 . 1 1 24 24 ALA CA C 24 52.520 52.520 52.346 0.174 19910 3855 1 8 . 1 1 24 24 ALA CB C 24 19.730 19.730 17.859 1.871 19910 3856 1 8 . 1 1 24 24 ALA H H 24 7.910 7.910 8.688 -0.778 19910 3857 1 8 . 1 1 25 25 ARG N N 25 119.060 119.060 119.075 -0.015 19910 3858 1 8 . 1 1 25 25 ARG HA H 25 4.346 4.346 4.122 0.224 19910 3859 1 8 . 1 1 25 25 ARG C C 25 175.830 175.830 176.086 -0.256 19910 3860 1 8 . 1 1 25 25 ARG CA C 25 55.550 55.550 57.931 -2.381 19910 3861 1 8 . 1 1 25 25 ARG CB C 25 30.500 30.500 30.497 0.003 19910 3862 1 8 . 1 1 25 25 ARG H H 25 8.220 8.220 8.543 -0.323 19910 3863 1 8 . 1 1 26 26 VAL N N 26 118.660 118.660 116.735 1.925 19910 3864 1 8 . 1 1 26 26 VAL HA H 26 3.454 3.454 4.000 -0.546 19910 3865 1 8 . 1 1 26 26 VAL C C 26 175.700 175.700 176.133 -0.433 19910 3866 1 8 . 1 1 26 26 VAL CA C 26 61.960 61.960 63.513 -1.553 19910 3867 1 8 . 1 1 26 26 VAL CB C 26 32.800 32.800 32.485 0.315 19910 3868 1 8 . 1 1 26 26 VAL H H 26 7.650 7.650 7.939 -0.289 19910 3869 1 8 . 1 1 27 27 SER N N 27 116.090 116.090 119.867 -3.777 19910 3870 1 8 . 1 1 27 27 SER HA H 27 4.183 4.183 4.265 -0.082 19910 3871 1 8 . 1 1 27 27 SER C C 27 173.750 173.750 175.317 -1.567 19910 3872 1 8 . 1 1 27 27 SER CA C 27 58.570 58.570 60.690 -2.120 19910 3873 1 8 . 1 1 27 27 SER CB C 27 63.530 63.530 63.528 0.002 19910 3874 1 8 . 1 1 27 27 SER H H 27 8.180 8.180 8.519 -0.339 19910 3875 1 8 . 1 1 28 28 GLU N N 28 120.070 120.070 120.423 -0.353 19910 3876 1 8 . 1 1 28 28 GLU HA H 28 4.203 4.203 4.071 0.132 19910 3877 1 8 . 1 1 28 28 GLU C C 28 174.790 174.790 175.138 -0.348 19910 3878 1 8 . 1 1 28 28 GLU CA C 28 55.550 55.550 55.542 0.008 19910 3879 1 8 . 1 1 28 28 GLU CB C 28 30.620 30.620 31.478 -0.858 19910 3880 1 8 . 1 1 28 28 GLU H H 28 7.400 7.400 7.844 -0.444 19910 3881 1 8 . 1 1 29 29 PHE N N 29 120.340 120.340 120.194 0.146 19910 3882 1 8 . 1 1 29 29 PHE HA H 29 4.487 4.487 4.597 -0.110 19910 3883 1 8 . 1 1 29 29 PHE C C 29 174.580 174.580 175.542 -0.962 19910 3884 1 8 . 1 1 29 29 PHE CA C 29 55.790 55.790 54.621 1.169 19910 3885 1 8 . 1 1 29 29 PHE CB C 29 39.690 39.690 40.114 -0.423 19910 3886 1 8 . 1 1 29 29 PHE H H 29 7.820 7.820 7.912 -0.092 19910 3887 1 8 . 1 1 30 30 ASP N N 30 123.670 123.670 122.306 1.364 19910 3888 1 8 . 1 1 30 30 ASP HA H 30 4.817 4.817 4.983 -0.166 19910 3889 1 8 . 1 1 30 30 ASP C C 30 174.040 174.040 174.628 -0.588 19910 3890 1 8 . 1 1 30 30 ASP CA C 30 53.850 53.850 53.519 0.331 19910 3891 1 8 . 1 1 30 30 ASP CB C 30 43.450 43.450 42.938 0.513 19910 3892 1 8 . 1 1 30 30 ASP H H 30 8.420 8.420 8.005 0.415 19910 3893 1 8 . 1 1 31 31 VAL N N 31 123.010 123.010 122.128 0.882 19910 3894 1 8 . 1 1 31 31 VAL HA H 31 4.768 4.768 4.646 0.122 19910 3895 1 8 . 1 1 31 31 VAL C C 31 173.980 173.980 174.869 -0.889 19910 3896 1 8 . 1 1 31 31 VAL CA C 31 60.510 60.510 61.615 -1.105 19910 3897 1 8 . 1 1 31 31 VAL CB C 31 34.730 34.730 33.502 1.228 19910 3898 1 8 . 1 1 31 31 VAL H H 31 8.270 8.270 8.540 -0.270 19910 3899 1 8 . 1 1 32 32 TYR N N 32 127.340 127.340 127.867 -0.527 19910 3900 1 8 . 1 1 32 32 TYR HA H 32 4.624 4.624 4.685 -0.061 19910 3901 1 8 . 1 1 32 32 TYR C C 32 172.990 172.990 173.979 -0.989 19910 3902 1 8 . 1 1 32 32 TYR CA C 32 56.520 56.520 56.545 -0.025 19910 3903 1 8 . 1 1 32 32 TYR CB C 32 41.870 41.870 41.355 0.515 19910 3904 1 8 . 1 1 32 32 TYR H H 32 8.920 8.920 9.088 -0.168 19910 3905 1 8 . 1 1 33 33 PHE N N 33 121.160 121.160 120.410 0.750 19910 3906 1 8 . 1 1 33 33 PHE HA H 33 5.106 5.106 5.930 -0.824 19910 3907 1 8 . 1 1 33 33 PHE C C 33 173.100 173.100 174.527 -1.427 19910 3908 1 8 . 1 1 33 33 PHE CA C 33 55.310 55.310 55.176 0.134 19910 3909 1 8 . 1 1 33 33 PHE CB C 33 40.420 40.420 42.253 -1.833 19910 3910 1 8 . 1 1 33 33 PHE H H 33 7.510 7.510 8.101 -0.591 19910 3911 1 8 . 1 1 34 34 GLU N N 34 120.460 120.460 123.341 -2.881 19910 3912 1 8 . 1 1 34 34 GLU HA H 34 4.099 4.099 4.842 -0.743 19910 3913 1 8 . 1 1 34 34 GLU C C 34 175.700 175.700 176.656 -0.956 19910 3914 1 8 . 1 1 34 34 GLU CA C 34 56.640 56.640 55.428 1.212 19910 3915 1 8 . 1 1 34 34 GLU CB C 34 31.340 31.340 31.826 -0.486 19910 3916 1 8 . 1 1 34 34 GLU H H 34 8.190 8.190 8.449 -0.259 19910 3917 1 8 . 1 1 35 35 GLY N N 35 117.400 117.400 116.418 0.982 19910 3918 1 8 . 1 1 35 35 GLY C C 35 173.120 173.120 174.809 -1.689 19910 3919 1 8 . 1 1 35 35 GLY CA C 35 47.680 47.680 47.337 0.343 19910 3920 1 8 . 1 1 35 35 GLY H H 35 9.240 9.240 9.161 0.079 19910 3921 1 8 . 1 1 36 36 SER N N 36 122.510 122.510 117.571 4.939 19910 3922 1 8 . 1 1 36 36 SER HA H 36 4.795 4.795 4.783 0.012 19910 3923 1 8 . 1 1 36 36 SER C C 36 172.680 172.680 172.508 0.172 19910 3924 1 8 . 1 1 36 36 SER CA C 36 57.360 57.360 58.111 -0.751 19910 3925 1 8 . 1 1 36 36 SER CB C 36 64.500 64.500 65.008 -0.508 19910 3926 1 8 . 1 1 36 36 SER H H 36 8.930 8.930 8.433 0.497 19910 3927 1 8 . 1 1 37 37 ASP N N 37 123.120 123.120 123.778 -0.658 19910 3928 1 8 . 1 1 37 37 ASP HA H 37 5.192 5.192 5.089 0.103 19910 3929 1 8 . 1 1 37 37 ASP C C 37 174.170 174.170 174.388 -0.218 19910 3930 1 8 . 1 1 37 37 ASP CA C 37 54.340 54.340 53.587 0.753 19910 3931 1 8 . 1 1 37 37 ASP CB C 37 43.810 43.810 42.305 1.505 19910 3932 1 8 . 1 1 37 37 ASP H H 37 8.600 8.600 8.158 0.442 19910 3933 1 8 . 1 1 38 38 PHE N N 38 122.850 122.850 127.562 -4.712 19910 3934 1 8 . 1 1 38 38 PHE HA H 38 5.053 5.053 5.333 -0.280 19910 3935 1 8 . 1 1 38 38 PHE C C 38 172.810 172.810 173.474 -0.664 19910 3936 1 8 . 1 1 38 38 PHE CA C 38 57.000 57.000 56.523 0.477 19910 3937 1 8 . 1 1 38 38 PHE CB C 38 43.080 43.080 41.648 1.432 19910 3938 1 8 . 1 1 38 38 PHE H H 38 8.340 8.340 9.268 -0.928 19910 3939 1 8 . 1 1 39 39 LYS N N 39 126.630 126.630 128.832 -2.202 19910 3940 1 8 . 1 1 39 39 LYS HA H 39 4.816 4.816 4.705 0.111 19910 3941 1 8 . 1 1 39 39 LYS C C 39 172.540 172.540 174.049 -1.509 19910 3942 1 8 . 1 1 39 39 LYS CA C 39 54.890 54.890 54.020 0.869 19910 3943 1 8 . 1 1 39 39 LYS CB C 39 36.790 36.790 33.668 3.122 19910 3944 1 8 . 1 1 39 39 LYS H H 39 8.690 8.690 9.089 -0.399 19910 3945 1 8 . 1 1 40 40 PHE N N 40 123.910 123.910 126.434 -2.524 19910 3946 1 8 . 1 1 40 40 PHE HA H 40 4.923 4.923 5.065 -0.142 19910 3947 1 8 . 1 1 40 40 PHE C C 40 171.900 171.900 172.629 -0.729 19910 3948 1 8 . 1 1 40 40 PHE CA C 40 55.910 55.910 54.942 0.968 19910 3949 1 8 . 1 1 40 40 PHE CB C 40 43.450 43.450 42.368 1.082 19910 3950 1 8 . 1 1 40 40 PHE H H 40 8.750 8.750 8.745 0.005 19910 3951 1 8 . 1 1 41 41 TYR N N 41 126.490 126.490 127.227 -0.737 19910 3952 1 8 . 1 1 41 41 TYR HA H 41 4.958 4.958 4.058 0.900 19910 3953 1 8 . 1 1 41 41 TYR C C 41 173.070 173.070 173.889 -0.819 19910 3954 1 8 . 1 1 41 41 TYR CA C 41 55.670 55.670 54.689 0.981 19910 3955 1 8 . 1 1 41 41 TYR CB C 41 41.510 41.510 38.038 3.472 19910 3956 1 8 . 1 1 41 41 TYR H H 41 8.450 8.450 7.877 0.573 19910 3957 1 8 . 1 1 42 42 ALA N N 42 129.720 129.720 125.974 3.746 19910 3958 1 8 . 1 1 42 42 ALA HA H 42 4.024 4.024 4.801 -0.777 19910 3959 1 8 . 1 1 42 42 ALA C C 42 174.350 174.350 175.653 -1.303 19910 3960 1 8 . 1 1 42 42 ALA CA C 42 51.190 51.190 50.737 0.453 19910 3961 1 8 . 1 1 42 42 ALA CB C 42 20.330 20.330 21.229 -0.899 19910 3962 1 8 . 1 1 42 42 ALA H H 42 7.970 7.970 8.302 -0.332 19910 3963 1 8 . 1 1 43 43 LYS N N 43 124.250 124.250 121.800 2.450 19910 3964 1 8 . 1 1 43 43 LYS HA H 43 3.634 3.634 3.996 -0.362 19910 3965 1 8 . 1 1 43 43 LYS CA C 43 56.260 56.260 57.484 -1.224 19910 3966 1 8 . 1 1 43 43 LYS CB C 43 32.860 32.860 29.542 3.318 19910 3967 1 8 . 1 1 43 43 LYS H H 43 7.850 7.850 8.488 -0.638 19910 3968 1 8 . 1 1 44 44 PRO HA H 44 4.487 4.487 4.155 0.332 19910 3969 1 8 . 1 1 44 44 PRO C C 44 173.980 173.980 176.505 -2.525 19910 3970 1 8 . 1 1 44 44 PRO CA C 44 64.380 64.380 64.469 -0.089 19910 3971 1 8 . 1 1 44 44 PRO CB C 44 34.010 34.010 31.478 2.532 19910 3972 1 8 . 1 1 45 45 TYR N N 45 126.840 126.840 117.392 9.448 19910 3973 1 8 . 1 1 45 45 TYR HA H 45 5.274 5.274 4.495 0.779 19910 3974 1 8 . 1 1 45 45 TYR C C 45 175.290 175.290 174.698 0.592 19910 3975 1 8 . 1 1 45 45 TYR CA C 45 58.330 58.330 58.093 0.237 19910 3976 1 8 . 1 1 45 45 TYR CB C 45 40.300 40.300 37.518 2.782 19910 3977 1 8 . 1 1 45 45 TYR H H 45 9.360 9.360 7.378 1.982 19910 3978 1 8 . 1 1 46 46 PHE N N 46 121.470 121.470 123.651 -2.181 19910 3979 1 8 . 1 1 46 46 PHE HA H 46 5.422 5.422 5.253 0.169 19910 3980 1 8 . 1 1 46 46 PHE C C 46 173.180 173.180 175.029 -1.849 19910 3981 1 8 . 1 1 46 46 PHE CA C 46 56.520 56.520 56.636 -0.116 19910 3982 1 8 . 1 1 46 46 PHE CB C 46 43.930 43.930 42.168 1.762 19910 3983 1 8 . 1 1 46 46 PHE H H 46 8.870 8.870 8.786 0.084 19910 3984 1 8 . 1 1 47 47 LEU N N 47 129.700 129.700 127.555 2.145 19910 3985 1 8 . 1 1 47 47 LEU HA H 47 4.565 4.565 4.741 -0.176 19910 3986 1 8 . 1 1 47 47 LEU C C 47 171.770 171.770 174.872 -3.102 19910 3987 1 8 . 1 1 47 47 LEU CA C 47 53.130 53.130 53.963 -0.833 19910 3988 1 8 . 1 1 47 47 LEU CB C 47 47.560 47.560 44.641 2.919 19910 3989 1 8 . 1 1 47 47 LEU H H 47 8.850 8.850 9.263 -0.413 19910 3990 1 8 . 1 1 48 48 ARG N N 48 127.760 127.760 126.143 1.617 19910 3991 1 8 . 1 1 48 48 ARG HA H 48 5.283 5.283 4.938 0.345 19910 3992 1 8 . 1 1 48 48 ARG C C 48 174.090 174.090 175.202 -1.112 19910 3993 1 8 . 1 1 48 48 ARG CA C 48 54.100 54.100 55.383 -1.283 19910 3994 1 8 . 1 1 48 48 ARG CB C 48 33.160 33.160 31.456 1.704 19910 3995 1 8 . 1 1 48 48 ARG H H 48 8.620 8.620 8.668 -0.048 19910 3996 1 8 . 1 1 49 49 LEU N N 49 122.890 122.890 127.599 -4.709 19910 3997 1 8 . 1 1 49 49 LEU HA H 49 4.855 4.855 4.804 0.051 19910 3998 1 8 . 1 1 49 49 LEU C C 49 175.880 175.880 175.628 0.252 19910 3999 1 8 . 1 1 49 49 LEU CA C 49 52.880 52.880 54.040 -1.160 19910 4000 1 8 . 1 1 49 49 LEU CB C 49 47.800 47.800 46.845 0.955 19910 4001 1 8 . 1 1 49 49 LEU H H 49 8.970 8.970 9.043 -0.073 19910 4002 1 8 . 1 1 50 50 THR N N 50 118.610 118.610 119.292 -0.682 19910 4003 1 8 . 1 1 50 50 THR HA H 50 4.862 4.862 4.741 0.121 19910 4004 1 8 . 1 1 50 50 THR C C 50 174.610 174.610 174.274 0.336 19910 4005 1 8 . 1 1 50 50 THR CA C 50 61.110 61.110 61.728 -0.618 19910 4006 1 8 . 1 1 50 50 THR CB C 50 69.220 69.220 69.104 0.116 19910 4007 1 8 . 1 1 50 50 THR H H 50 8.670 8.670 8.422 0.248 19910 4008 1 8 . 1 1 51 51 LEU N N 51 126.300 126.300 127.735 -1.435 19910 4009 1 8 . 1 1 51 51 LEU HA H 51 4.302 4.302 4.540 -0.238 19910 4010 1 8 . 1 1 51 51 LEU CA C 51 52.650 52.650 52.200 0.451 19910 4011 1 8 . 1 1 51 51 LEU CB C 51 41.950 41.950 42.128 -0.178 19910 4012 1 8 . 1 1 51 51 LEU H H 51 9.540 9.540 8.350 1.190 19910 4013 1 8 . 1 1 52 52 PRO HA H 52 4.401 4.401 4.295 0.106 19910 4014 1 8 . 1 1 52 52 PRO C C 52 174.240 174.240 175.276 -1.036 19910 4015 1 8 . 1 1 52 52 PRO CA C 52 62.690 62.690 62.053 0.637 19910 4016 1 8 . 1 1 52 52 PRO CB C 52 30.620 30.620 30.157 0.463 19910 4017 1 8 . 1 1 53 53 GLY N N 53 105.990 105.990 111.049 -5.059 19910 4018 1 8 . 1 1 53 53 GLY C C 53 170.520 170.520 172.157 -1.637 19910 4019 1 8 . 1 1 53 53 GLY CA C 53 43.450 43.450 44.839 -1.389 19910 4020 1 8 . 1 1 53 53 GLY H H 53 6.550 6.550 7.655 -1.105 19910 4021 1 8 . 1 1 54 54 ARG N N 54 115.660 115.660 119.806 -4.146 19910 4022 1 8 . 1 1 54 54 ARG HA H 54 4.347 4.347 5.417 -1.070 19910 4023 1 8 . 1 1 54 54 ARG C C 54 176.940 176.940 175.186 1.754 19910 4024 1 8 . 1 1 54 54 ARG CA C 54 55.890 55.890 54.283 1.607 19910 4025 1 8 . 1 1 54 54 ARG CB C 54 32.310 32.310 33.540 -1.230 19910 4026 1 8 . 1 1 54 54 ARG H H 54 8.210 8.210 8.727 -0.517 19910 4027 1 8 . 1 1 55 55 ILE N N 55 118.910 118.910 124.203 -5.293 19910 4028 1 8 . 1 1 55 55 ILE HA H 55 5.003 5.003 4.528 0.475 19910 4029 1 8 . 1 1 55 55 ILE C C 55 175.310 175.310 175.102 0.208 19910 4030 1 8 . 1 1 55 55 ILE CA C 55 58.500 58.500 58.716 -0.216 19910 4031 1 8 . 1 1 55 55 ILE CB C 55 40.950 40.950 39.431 1.519 19910 4032 1 8 . 1 1 55 55 ILE H H 55 8.640 8.640 8.331 0.309 19910 4033 1 8 . 1 1 56 56 VAL N N 56 118.140 118.140 125.289 -7.149 19910 4034 1 8 . 1 1 56 56 VAL HA H 56 4.438 4.438 3.965 0.473 19910 4035 1 8 . 1 1 56 56 VAL C C 56 172.920 172.920 175.087 -2.167 19910 4036 1 8 . 1 1 56 56 VAL CA C 56 60.510 60.510 63.474 -2.964 19910 4037 1 8 . 1 1 56 56 VAL CB C 56 34.850 34.850 32.788 2.062 19910 4038 1 8 . 1 1 56 56 VAL H H 56 8.330 8.330 7.785 0.545 19910 4039 1 8 . 1 1 57 57 GLU N N 57 123.300 123.300 126.916 -3.616 19910 4040 1 8 . 1 1 57 57 GLU HA H 57 4.358 4.358 4.741 -0.383 19910 4041 1 8 . 1 1 57 57 GLU C C 57 176.350 176.350 175.522 0.828 19910 4042 1 8 . 1 1 57 57 GLU CA C 57 55.890 55.890 55.941 -0.052 19910 4043 1 8 . 1 1 57 57 GLU CB C 57 29.880 29.880 31.149 -1.269 19910 4044 1 8 . 1 1 57 57 GLU H H 57 8.380 8.380 8.773 -0.393 19910 4045 1 8 . 1 1 58 58 ASN N N 58 121.570 121.570 123.078 -1.508 19910 4046 1 8 . 1 1 58 58 ASN HA H 58 4.764 4.764 4.778 -0.014 19910 4047 1 8 . 1 1 58 58 ASN C C 58 176.120 176.120 175.059 1.061 19910 4048 1 8 . 1 1 58 58 ASN CA C 58 52.760 52.760 54.027 -1.267 19910 4049 1 8 . 1 1 58 58 ASN CB C 58 38.970 38.970 39.010 -0.040 19910 4050 1 8 . 1 1 58 58 ASN H H 58 8.360 8.360 8.973 -0.613 19910 4051 1 8 . 1 1 59 59 GLY N N 59 112.050 112.050 108.547 3.503 19910 4052 1 8 . 1 1 59 59 GLY C C 59 174.840 174.840 174.489 0.351 19910 4053 1 8 . 1 1 59 59 GLY CA C 59 45.380 45.380 44.908 0.472 19910 4054 1 8 . 1 1 59 59 GLY H H 59 9.350 9.350 8.473 0.877 19910 4055 1 8 . 1 1 60 60 SER N N 60 115.430 115.430 115.976 -0.546 19910 4056 1 8 . 1 1 60 60 SER HA H 60 4.536 4.536 4.717 -0.181 19910 4057 1 8 . 1 1 60 60 SER C C 60 174.140 174.140 174.419 -0.279 19910 4058 1 8 . 1 1 60 60 SER CA C 60 58.810 58.810 57.834 0.976 19910 4059 1 8 . 1 1 60 60 SER CB C 60 64.140 64.140 63.374 0.766 19910 4060 1 8 . 1 1 60 60 SER H H 60 8.350 8.350 8.448 -0.098 19910 4061 1 8 . 1 1 61 61 GLU N N 61 122.950 122.950 120.479 2.471 19910 4062 1 8 . 1 1 61 61 GLU HA H 61 4.525 4.525 4.467 0.058 19910 4063 1 8 . 1 1 61 61 GLU C C 61 175.550 175.550 175.569 -0.019 19910 4064 1 8 . 1 1 61 61 GLU CA C 61 56.520 56.520 55.863 0.657 19910 4065 1 8 . 1 1 61 61 GLU CB C 61 29.530 29.530 30.295 -0.765 19910 4066 1 8 . 1 1 61 61 GLU H H 61 8.910 8.910 7.902 1.008 19910 4067 1 8 . 1 1 62 62 GLN N N 62 120.280 120.280 118.604 1.676 19910 4068 1 8 . 1 1 62 62 GLN HA H 62 4.601 4.601 4.576 0.025 19910 4069 1 8 . 1 1 62 62 GLN C C 62 175.700 175.700 174.491 1.209 19910 4070 1 8 . 1 1 62 62 GLN CA C 62 55.430 55.430 55.431 -0.001 19910 4071 1 8 . 1 1 62 62 GLN CB C 62 31.340 31.340 32.623 -1.283 19910 4072 1 8 . 1 1 62 62 GLN H H 62 8.310 8.310 8.182 0.128 19910 4073 1 8 . 1 1 63 63 GLY N N 63 111.400 111.400 110.544 0.856 19910 4074 1 8 . 1 1 63 63 GLY C C 63 172.550 172.550 173.257 -0.707 19910 4075 1 8 . 1 1 63 63 GLY CA C 63 44.690 44.690 44.508 0.182 19910 4076 1 8 . 1 1 63 63 GLY H H 63 8.880 8.880 8.303 0.577 19910 4077 1 8 . 1 1 64 64 SER N N 64 115.080 115.080 117.185 -2.105 19910 4078 1 8 . 1 1 64 64 SER HA H 64 4.629 4.629 4.629 0.000 19910 4079 1 8 . 1 1 64 64 SER C C 64 171.770 171.770 172.557 -0.787 19910 4080 1 8 . 1 1 64 64 SER CA C 64 57.120 57.120 58.041 -0.921 19910 4081 1 8 . 1 1 64 64 SER CB C 64 65.230 65.230 65.326 -0.096 19910 4082 1 8 . 1 1 64 64 SER H H 64 8.280 8.280 8.741 -0.461 19910 4083 1 8 . 1 1 65 65 TYR N N 65 124.640 124.640 126.782 -2.142 19910 4084 1 8 . 1 1 65 65 TYR HA H 65 5.198 5.198 5.380 -0.182 19910 4085 1 8 . 1 1 65 65 TYR C C 65 173.640 173.640 174.677 -1.037 19910 4086 1 8 . 1 1 65 65 TYR CA C 65 55.670 55.670 57.055 -1.385 19910 4087 1 8 . 1 1 65 65 TYR CB C 65 40.900 40.900 41.279 -0.379 19910 4088 1 8 . 1 1 65 65 TYR H H 65 8.980 8.980 8.552 0.428 19910 4089 1 8 . 1 1 66 66 ASP N N 66 128.570 128.570 125.732 2.838 19910 4090 1 8 . 1 1 66 66 ASP HA H 66 4.532 4.532 4.658 -0.126 19910 4091 1 8 . 1 1 66 66 ASP C C 66 175.340 175.340 174.903 0.437 19910 4092 1 8 . 1 1 66 66 ASP CA C 66 51.800 51.800 52.736 -0.936 19910 4093 1 8 . 1 1 66 66 ASP CB C 66 41.510 41.510 43.873 -2.363 19910 4094 1 8 . 1 1 66 66 ASP H H 66 8.000 8.000 8.198 -0.198 19910 4095 1 8 . 1 1 67 67 ALA N N 67 127.520 127.520 128.823 -1.303 19910 4096 1 8 . 1 1 67 67 ALA HA H 67 3.597 3.597 4.135 -0.538 19910 4097 1 8 . 1 1 67 67 ALA C C 67 178.770 178.770 177.832 0.938 19910 4098 1 8 . 1 1 67 67 ALA CA C 67 53.850 53.850 54.095 -0.245 19910 4099 1 8 . 1 1 67 67 ALA CB C 67 18.640 18.640 19.018 -0.379 19910 4100 1 8 . 1 1 67 67 ALA H H 67 8.460 8.460 8.396 0.064 19910 4101 1 8 . 1 1 68 68 ASP N N 68 117.850 117.850 118.506 -0.656 19910 4102 1 8 . 1 1 68 68 ASP HA H 68 4.340 4.340 4.391 -0.051 19910 4103 1 8 . 1 1 68 68 ASP C C 68 177.780 177.780 177.717 0.063 19910 4104 1 8 . 1 1 68 68 ASP CA C 68 56.760 56.760 56.324 0.436 19910 4105 1 8 . 1 1 68 68 ASP CB C 68 40.900 40.900 40.771 0.129 19910 4106 1 8 . 1 1 68 68 ASP H H 68 7.980 7.980 8.566 -0.586 19910 4107 1 8 . 1 1 69 69 LYS N N 69 115.790 115.790 116.016 -0.226 19910 4108 1 8 . 1 1 69 69 LYS HA H 69 4.119 4.119 4.465 -0.346 19910 4109 1 8 . 1 1 69 69 LYS C C 69 177.130 177.130 176.986 0.144 19910 4110 1 8 . 1 1 69 69 LYS CA C 69 56.150 56.150 55.970 0.180 19910 4111 1 8 . 1 1 69 69 LYS CB C 69 34.010 34.010 33.330 0.680 19910 4112 1 8 . 1 1 69 69 LYS H H 69 7.390 7.390 8.046 -0.656 19910 4113 1 8 . 1 1 70 70 GLY N N 70 110.040 110.040 109.379 0.661 19910 4114 1 8 . 1 1 70 70 GLY C C 70 174.040 174.040 173.172 0.868 19910 4115 1 8 . 1 1 70 70 GLY CA C 70 46.830 46.830 45.371 1.459 19910 4116 1 8 . 1 1 70 70 GLY H H 70 8.030 8.030 7.773 0.257 19910 4117 1 8 . 1 1 71 71 ILE N N 71 115.810 115.810 119.237 -3.427 19910 4118 1 8 . 1 1 71 71 ILE HA H 71 4.861 4.861 4.519 0.342 19910 4119 1 8 . 1 1 71 71 ILE C C 71 175.520 175.520 174.118 1.402 19910 4120 1 8 . 1 1 71 71 ILE CA C 71 59.420 59.420 60.948 -1.528 19910 4121 1 8 . 1 1 71 71 ILE CB C 71 42.240 42.240 41.292 0.948 19910 4122 1 8 . 1 1 71 71 ILE H H 71 6.990 6.990 8.162 -1.172 19910 4123 1 8 . 1 1 72 72 PHE N N 72 132.630 132.630 130.442 2.188 19910 4124 1 8 . 1 1 72 72 PHE HA H 72 5.377 5.377 5.380 -0.003 19910 4125 1 8 . 1 1 72 72 PHE C C 72 173.310 173.310 173.669 -0.359 19910 4126 1 8 . 1 1 72 72 PHE CA C 72 56.150 56.150 55.080 1.070 19910 4127 1 8 . 1 1 72 72 PHE CB C 72 41.630 41.630 42.143 -0.513 19910 4128 1 8 . 1 1 72 72 PHE H H 72 9.720 9.720 9.215 0.505 19910 4129 1 8 . 1 1 73 73 THR N N 73 124.190 124.190 124.117 0.073 19910 4130 1 8 . 1 1 73 73 THR HA H 73 5.047 5.047 5.082 -0.035 19910 4131 1 8 . 1 1 73 73 THR C C 73 172.660 172.660 172.911 -0.251 19910 4132 1 8 . 1 1 73 73 THR CA C 73 61.480 61.480 60.357 1.123 19910 4133 1 8 . 1 1 73 73 THR CB C 73 69.950 69.950 70.571 -0.621 19910 4134 1 8 . 1 1 73 73 THR H H 73 8.610 8.610 8.948 -0.338 19910 4135 1 8 . 1 1 74 74 ILE N N 74 125.780 125.780 126.294 -0.514 19910 4136 1 8 . 1 1 74 74 ILE HA H 74 4.557 4.557 4.943 -0.386 19910 4137 1 8 . 1 1 74 74 ILE C C 74 171.480 171.480 173.603 -2.123 19910 4138 1 8 . 1 1 74 74 ILE CA C 74 59.060 59.060 59.184 -0.124 19910 4139 1 8 . 1 1 74 74 ILE CB C 74 41.510 41.510 41.676 -0.166 19910 4140 1 8 . 1 1 74 74 ILE H H 74 8.850 8.850 8.109 0.741 19910 4141 1 8 . 1 1 75 75 ARG N N 75 127.330 127.330 128.290 -0.960 19910 4142 1 8 . 1 1 75 75 ARG HA H 75 4.859 4.859 4.428 0.431 19910 4143 1 8 . 1 1 75 75 ARG C C 75 174.790 174.790 174.925 -0.135 19910 4144 1 8 . 1 1 75 75 ARG CA C 75 54.460 54.460 55.223 -0.763 19910 4145 1 8 . 1 1 75 75 ARG CB C 75 31.460 31.460 31.255 0.205 19910 4146 1 8 . 1 1 75 75 ARG H H 75 8.320 8.320 8.840 -0.520 19910 4147 1 8 . 1 1 76 76 LEU N N 76 125.120 125.120 123.202 1.918 19910 4148 1 8 . 1 1 76 76 LEU HA H 76 4.819 4.819 4.753 0.066 19910 4149 1 8 . 1 1 76 76 LEU CA C 76 50.530 50.530 51.688 -1.157 19910 4150 1 8 . 1 1 76 76 LEU CB C 76 43.070 43.070 44.545 -1.475 19910 4151 1 8 . 1 1 76 76 LEU H H 76 9.300 9.300 8.179 1.121 19910 4152 1 8 . 1 1 77 77 PRO HA H 77 4.114 4.114 4.626 -0.512 19910 4153 1 8 . 1 1 77 77 PRO C C 77 176.430 176.430 176.713 -0.283 19910 4154 1 8 . 1 1 77 77 PRO CA C 77 62.080 62.080 62.145 -0.064 19910 4155 1 8 . 1 1 77 77 PRO CB C 77 31.220 31.220 32.269 -1.048 19910 4156 1 8 . 1 1 78 78 LYS N N 78 122.800 122.800 119.217 3.583 19910 4157 1 8 . 1 1 78 78 LYS HA H 78 4.062 4.062 4.346 -0.284 19910 4158 1 8 . 1 1 78 78 LYS C C 78 176.590 176.590 176.600 -0.010 19910 4159 1 8 . 1 1 78 78 LYS CA C 78 57.730 57.730 54.722 3.008 19910 4160 1 8 . 1 1 78 78 LYS CB C 78 32.800 32.800 33.196 -0.396 19910 4161 1 8 . 1 1 78 78 LYS H H 78 7.790 7.790 7.626 0.164 19910 4162 1 8 . 1 1 79 79 GLU N N 79 124.540 124.540 121.896 2.644 19910 4163 1 8 . 1 1 79 79 GLU HA H 79 3.689 3.689 4.188 -0.499 19910 4164 1 8 . 1 1 79 79 GLU C C 79 176.300 176.300 176.276 0.024 19910 4165 1 8 . 1 1 79 79 GLU CA C 79 59.420 59.420 57.903 1.517 19910 4166 1 8 . 1 1 79 79 GLU CB C 79 30.500 30.500 30.276 0.224 19910 4167 1 8 . 1 1 79 79 GLU H H 79 8.520 8.520 8.659 -0.139 19910 4168 1 8 . 1 1 80 80 THR N N 80 115.960 115.960 116.929 -0.969 19910 4169 1 8 . 1 1 80 80 THR HA H 80 4.485 4.485 4.746 -0.261 19910 4170 1 8 . 1 1 80 80 THR CA C 80 59.120 59.120 59.587 -0.467 19910 4171 1 8 . 1 1 80 80 THR CB C 80 69.330 69.330 70.297 -0.967 19910 4172 1 8 . 1 1 80 80 THR H H 80 9.070 9.070 7.739 1.331 19910 4173 1 8 . 1 1 81 81 PRO HA H 81 4.070 4.070 4.091 -0.021 19910 4174 1 8 . 1 1 81 81 PRO C C 81 177.860 177.860 178.223 -0.363 19910 4175 1 8 . 1 1 81 81 PRO CA C 81 63.900 63.900 63.766 0.134 19910 4176 1 8 . 1 1 81 81 PRO CB C 81 31.460 31.460 31.738 -0.278 19910 4177 1 8 . 1 1 82 82 GLY N N 82 113.580 113.580 111.250 2.330 19910 4178 1 8 . 1 1 82 82 GLY C C 82 174.870 174.870 173.900 0.970 19910 4179 1 8 . 1 1 82 82 GLY CA C 82 45.140 45.140 44.845 0.295 19910 4180 1 8 . 1 1 82 82 GLY H H 82 9.150 9.150 8.366 0.784 19910 4181 1 8 . 1 1 83 83 GLN N N 83 122.820 122.820 120.914 1.906 19910 4182 1 8 . 1 1 83 83 GLN HA H 83 4.159 4.159 4.305 -0.146 19910 4183 1 8 . 1 1 83 83 GLN C C 83 175.180 175.180 174.802 0.378 19910 4184 1 8 . 1 1 83 83 GLN CA C 83 56.390 56.390 55.496 0.894 19910 4185 1 8 . 1 1 83 83 GLN CB C 83 29.410 29.410 29.677 -0.267 19910 4186 1 8 . 1 1 83 83 GLN H H 83 7.960 7.960 7.473 0.487 19910 4187 1 8 . 1 1 84 84 HIS N N 84 131.340 131.340 126.299 5.041 19910 4188 1 8 . 1 1 84 84 HIS HA H 84 4.299 4.299 4.720 -0.421 19910 4189 1 8 . 1 1 84 84 HIS C C 84 175.300 175.300 174.247 1.053 19910 4190 1 8 . 1 1 84 84 HIS CA C 84 56.640 56.640 55.074 1.566 19910 4191 1 8 . 1 1 84 84 HIS CB C 84 30.980 30.980 32.381 -1.401 19910 4192 1 8 . 1 1 84 84 HIS H H 84 9.220 9.220 8.621 0.599 19910 4193 1 8 . 1 1 85 85 PHE N N 85 130.320 130.320 126.774 3.546 19910 4194 1 8 . 1 1 85 85 PHE HA H 85 4.722 4.722 4.622 0.100 19910 4195 1 8 . 1 1 85 85 PHE C C 85 174.890 174.890 175.602 -0.712 19910 4196 1 8 . 1 1 85 85 PHE CA C 85 54.580 54.580 55.487 -0.907 19910 4197 1 8 . 1 1 85 85 PHE CB C 85 36.430 36.430 37.297 -0.867 19910 4198 1 8 . 1 1 85 85 PHE H H 85 9.130 9.130 8.561 0.569 19910 4199 1 8 . 1 1 86 86 GLU N N 86 126.010 126.010 124.065 1.945 19910 4200 1 8 . 1 1 86 86 GLU HA H 86 4.199 4.199 4.340 -0.141 19910 4201 1 8 . 1 1 86 86 GLU C C 86 177.000 177.000 177.775 -0.775 19910 4202 1 8 . 1 1 86 86 GLU CA C 86 55.910 55.910 56.973 -1.063 19910 4203 1 8 . 1 1 86 86 GLU CB C 86 30.620 30.620 31.079 -0.459 19910 4204 1 8 . 1 1 86 86 GLU H H 86 8.900 8.900 7.933 0.967 19910 4205 1 8 . 1 1 87 87 GLY N N 87 108.540 108.540 108.750 -0.210 19910 4206 1 8 . 1 1 87 87 GLY C C 87 177.370 177.370 175.457 1.913 19910 4207 1 8 . 1 1 87 87 GLY CA C 87 46.590 46.590 46.260 0.330 19910 4208 1 8 . 1 1 87 87 GLY H H 87 8.610 8.610 8.786 -0.176 19910 4209 1 8 . 1 1 88 88 LEU N N 88 119.830 119.830 120.245 -0.415 19910 4210 1 8 . 1 1 88 88 LEU HA H 88 3.775 3.775 3.943 -0.168 19910 4211 1 8 . 1 1 88 88 LEU C C 88 177.500 177.500 178.110 -0.610 19910 4212 1 8 . 1 1 88 88 LEU CA C 88 57.850 57.850 57.406 0.444 19910 4213 1 8 . 1 1 88 88 LEU CB C 88 40.780 40.780 41.962 -1.182 19910 4214 1 8 . 1 1 88 88 LEU H H 88 8.370 8.370 7.922 0.448 19910 4215 1 8 . 1 1 89 89 ASN N N 89 112.390 112.390 112.604 -0.214 19910 4216 1 8 . 1 1 89 89 ASN HA H 89 4.524 4.524 4.524 0.000 19910 4217 1 8 . 1 1 89 89 ASN C C 89 175.440 175.440 175.358 0.082 19910 4218 1 8 . 1 1 89 89 ASN CA C 89 54.340 54.340 54.351 -0.011 19910 4219 1 8 . 1 1 89 89 ASN CB C 89 37.030 37.030 37.213 -0.183 19910 4220 1 8 . 1 1 89 89 ASN H H 89 8.470 8.470 8.570 -0.100 19910 4221 1 8 . 1 1 90 90 MET N N 90 117.460 117.460 115.557 1.903 19910 4222 1 8 . 1 1 90 90 MET HA H 90 4.626 4.626 4.520 0.106 19910 4223 1 8 . 1 1 90 90 MET C C 90 176.040 176.040 176.396 -0.356 19910 4224 1 8 . 1 1 90 90 MET CA C 90 54.340 54.340 56.465 -2.125 19910 4225 1 8 . 1 1 90 90 MET CB C 90 32.550 32.550 33.891 -1.341 19910 4226 1 8 . 1 1 90 90 MET H H 90 7.460 7.460 7.260 0.200 19910 4227 1 8 . 1 1 91 91 LEU N N 91 121.330 121.330 123.656 -2.326 19910 4228 1 8 . 1 1 91 91 LEU HA H 91 4.277 4.277 4.292 -0.015 19910 4229 1 8 . 1 1 91 91 LEU C C 91 176.870 176.870 176.116 0.754 19910 4230 1 8 . 1 1 91 91 LEU CA C 91 56.390 56.390 55.448 0.942 19910 4231 1 8 . 1 1 91 91 LEU CB C 91 42.480 42.480 42.112 0.368 19910 4232 1 8 . 1 1 91 91 LEU H H 91 7.280 7.280 7.524 -0.244 19910 4233 1 8 . 1 1 92 92 THR N N 92 113.970 113.970 118.555 -4.585 19910 4234 1 8 . 1 1 92 92 THR HA H 92 4.582 4.582 4.561 0.021 19910 4235 1 8 . 1 1 92 92 THR C C 92 173.180 173.180 173.072 0.108 19910 4236 1 8 . 1 1 92 92 THR CA C 92 60.390 60.390 61.004 -0.614 19910 4237 1 8 . 1 1 92 92 THR CB C 92 71.160 71.160 71.529 -0.369 19910 4238 1 8 . 1 1 92 92 THR H H 92 8.110 8.110 7.970 0.140 19910 4239 1 8 . 1 1 93 93 ALA N N 93 124.650 124.650 126.950 -2.300 19910 4240 1 8 . 1 1 93 93 ALA HA H 93 4.245 4.245 4.871 -0.626 19910 4241 1 8 . 1 1 93 93 ALA C C 93 177.650 177.650 176.868 0.782 19910 4242 1 8 . 1 1 93 93 ALA CA C 93 52.640 52.640 51.563 1.077 19910 4243 1 8 . 1 1 93 93 ALA CB C 93 19.670 19.670 19.229 0.441 19910 4244 1 8 . 1 1 93 93 ALA H H 93 8.430 8.430 8.520 -0.090 19910 4245 1 8 . 1 1 94 94 LEU N N 94 123.150 123.150 122.468 0.682 19910 4246 1 8 . 1 1 94 94 LEU HA H 94 4.450 4.450 4.810 -0.360 19910 4247 1 8 . 1 1 94 94 LEU C C 94 177.420 177.420 176.147 1.273 19910 4248 1 8 . 1 1 94 94 LEU CA C 94 54.940 54.940 54.264 0.676 19910 4249 1 8 . 1 1 94 94 LEU CB C 94 42.480 42.480 42.371 0.109 19910 4250 1 8 . 1 1 94 94 LEU H H 94 8.450 8.450 8.461 -0.011 19910 4251 1 8 . 1 1 95 95 LEU N N 95 124.390 124.390 125.975 -1.585 19910 4252 1 8 . 1 1 95 95 LEU HA H 95 4.409 4.409 4.566 -0.157 19910 4253 1 8 . 1 1 95 95 LEU C C 95 175.990 175.990 177.393 -1.403 19910 4254 1 8 . 1 1 95 95 LEU CA C 95 55.060 55.060 54.657 0.403 19910 4255 1 8 . 1 1 95 95 LEU CB C 95 42.360 42.360 41.076 1.284 19910 4256 1 8 . 1 1 95 95 LEU H H 95 8.380 8.380 8.639 -0.259 19910 4257 1 9 . 1 1 2 2 LEU N N 2 123.170 123.170 122.272 0.898 19910 4258 1 9 . 1 1 2 2 LEU HA H 2 4.588 4.588 4.919 -0.331 19910 4259 1 9 . 1 1 2 2 LEU C C 2 176.260 176.260 176.205 0.055 19910 4260 1 9 . 1 1 2 2 LEU CA C 2 53.730 53.730 53.917 -0.187 19910 4261 1 9 . 1 1 2 2 LEU CB C 2 44.290 44.290 42.814 1.476 19910 4262 1 9 . 1 1 2 2 LEU H H 2 8.690 8.690 8.400 0.290 19910 4263 1 9 . 1 1 3 3 THR N N 3 120.960 120.960 118.116 2.844 19910 4264 1 9 . 1 1 3 3 THR HA H 3 5.193 5.193 4.639 0.554 19910 4265 1 9 . 1 1 3 3 THR CA C 3 59.990 59.990 60.608 -0.618 19910 4266 1 9 . 1 1 3 3 THR CB C 3 69.950 69.950 68.859 1.091 19910 4267 1 9 . 1 1 3 3 THR H H 3 8.850 8.850 8.218 0.632 19910 4268 1 9 . 1 1 4 4 PRO HA H 4 4.718 4.718 4.455 0.263 19910 4269 1 9 . 1 1 4 4 PRO C C 4 175.870 175.870 176.545 -0.675 19910 4270 1 9 . 1 1 4 4 PRO CA C 4 62.080 62.080 62.444 -0.364 19910 4271 1 9 . 1 1 4 4 PRO CB C 4 31.950 31.950 32.284 -0.334 19910 4272 1 9 . 1 1 5 5 ALA N N 5 122.560 122.560 125.704 -3.144 19910 4273 1 9 . 1 1 5 5 ALA HA H 5 4.348 4.348 4.208 0.140 19910 4274 1 9 . 1 1 5 5 ALA C C 5 176.360 176.360 176.548 -0.188 19910 4275 1 9 . 1 1 5 5 ALA CA C 5 52.280 52.280 51.570 0.710 19910 4276 1 9 . 1 1 5 5 ALA CB C 5 18.880 18.880 16.951 1.929 19910 4277 1 9 . 1 1 5 5 ALA H H 5 8.400 8.400 8.364 0.036 19910 4278 1 9 . 1 1 6 6 PHE N N 6 115.160 115.160 119.279 -4.119 19910 4279 1 9 . 1 1 6 6 PHE HA H 6 5.537 5.537 4.729 0.808 19910 4280 1 9 . 1 1 6 6 PHE C C 6 172.590 172.590 174.808 -2.218 19910 4281 1 9 . 1 1 6 6 PHE CA C 6 55.430 55.430 55.545 -0.115 19910 4282 1 9 . 1 1 6 6 PHE CB C 6 42.240 42.240 39.770 2.470 19910 4283 1 9 . 1 1 6 6 PHE H H 6 7.740 7.740 7.851 -0.111 19910 4284 1 9 . 1 1 7 7 ASP N N 7 118.960 118.960 119.312 -0.352 19910 4285 1 9 . 1 1 7 7 ASP HA H 7 4.813 4.813 4.950 -0.137 19910 4286 1 9 . 1 1 7 7 ASP C C 7 174.530 174.530 174.044 0.486 19910 4287 1 9 . 1 1 7 7 ASP CA C 7 53.370 53.370 53.331 0.039 19910 4288 1 9 . 1 1 7 7 ASP CB C 7 45.380 45.380 44.502 0.878 19910 4289 1 9 . 1 1 7 7 ASP H H 7 8.910 8.910 8.851 0.059 19910 4290 1 9 . 1 1 8 8 LEU N N 8 123.470 123.470 122.706 0.764 19910 4291 1 9 . 1 1 8 8 LEU HA H 8 5.284 5.284 4.597 0.687 19910 4292 1 9 . 1 1 8 8 LEU C C 8 175.420 175.420 176.113 -0.693 19910 4293 1 9 . 1 1 8 8 LEU CA C 8 53.850 53.850 53.737 0.113 19910 4294 1 9 . 1 1 8 8 LEU CB C 8 45.620 45.620 43.804 1.816 19910 4295 1 9 . 1 1 8 8 LEU H H 8 8.750 8.750 8.426 0.324 19910 4296 1 9 . 1 1 9 9 SER N N 9 115.920 115.920 117.606 -1.686 19910 4297 1 9 . 1 1 9 9 SER HA H 9 4.486 4.486 4.802 -0.316 19910 4298 1 9 . 1 1 9 9 SER C C 9 171.680 171.680 173.062 -1.382 19910 4299 1 9 . 1 1 9 9 SER CA C 9 57.000 57.000 57.081 -0.081 19910 4300 1 9 . 1 1 9 9 SER CB C 9 65.590 65.590 65.081 0.509 19910 4301 1 9 . 1 1 9 9 SER H H 9 8.860 8.860 8.705 0.155 19910 4302 1 9 . 1 1 10 10 GLN N N 10 115.230 115.230 123.671 -8.441 19910 4303 1 9 . 1 1 10 10 GLN HA H 10 5.375 5.375 4.513 0.862 19910 4304 1 9 . 1 1 10 10 GLN C C 10 172.130 172.130 173.458 -1.328 19910 4305 1 9 . 1 1 10 10 GLN CA C 10 54.270 54.270 54.294 -0.024 19910 4306 1 9 . 1 1 10 10 GLN CB C 10 32.990 32.990 31.145 1.845 19910 4307 1 9 . 1 1 10 10 GLN H H 10 8.800 8.800 8.444 0.356 19910 4308 1 9 . 1 1 11 11 ASP N N 11 124.270 124.270 123.104 1.166 19910 4309 1 9 . 1 1 11 11 ASP HA H 11 4.768 4.768 5.039 -0.271 19910 4310 1 9 . 1 1 11 11 ASP CA C 11 52.530 52.530 51.233 1.297 19910 4311 1 9 . 1 1 11 11 ASP CB C 11 42.200 42.200 43.017 -0.817 19910 4312 1 9 . 1 1 11 11 ASP H H 11 8.680 8.680 8.539 0.141 19910 4313 1 9 . 1 1 12 12 PRO HA H 12 4.050 4.050 4.370 -0.320 19910 4314 1 9 . 1 1 12 12 PRO C C 12 175.290 175.290 175.558 -0.268 19910 4315 1 9 . 1 1 12 12 PRO CA C 12 66.920 66.920 64.563 2.357 19910 4316 1 9 . 1 1 12 12 PRO CB C 12 31.950 31.950 32.062 -0.112 19910 4317 1 9 . 1 1 13 13 ASP N N 13 110.550 110.550 115.025 -4.475 19910 4318 1 9 . 1 1 13 13 ASP HA H 13 4.632 4.632 4.701 -0.069 19910 4319 1 9 . 1 1 13 13 ASP C C 13 176.480 176.480 174.395 2.085 19910 4320 1 9 . 1 1 13 13 ASP CA C 13 54.940 54.940 53.513 1.427 19910 4321 1 9 . 1 1 13 13 ASP CB C 13 44.410 44.410 42.099 2.311 19910 4322 1 9 . 1 1 13 13 ASP H H 13 7.990 7.990 8.389 -0.399 19910 4323 1 9 . 1 1 14 14 PHE N N 14 118.880 118.880 116.359 2.521 19910 4324 1 9 . 1 1 14 14 PHE HA H 14 5.049 5.049 4.819 0.230 19910 4325 1 9 . 1 1 14 14 PHE C C 14 174.690 174.690 173.288 1.402 19910 4326 1 9 . 1 1 14 14 PHE CA C 14 57.600 57.600 57.668 -0.068 19910 4327 1 9 . 1 1 14 14 PHE CB C 14 42.960 42.960 43.304 -0.344 19910 4328 1 9 . 1 1 14 14 PHE H H 14 8.390 8.390 7.927 0.463 19910 4329 1 9 . 1 1 15 15 LEU N N 15 123.990 123.990 121.787 2.203 19910 4330 1 9 . 1 1 15 15 LEU HA H 15 4.613 4.613 4.779 -0.166 19910 4331 1 9 . 1 1 15 15 LEU C C 15 174.780 174.780 174.800 -0.020 19910 4332 1 9 . 1 1 15 15 LEU CA C 15 53.250 53.250 54.436 -1.186 19910 4333 1 9 . 1 1 15 15 LEU CB C 15 45.020 45.020 43.980 1.040 19910 4334 1 9 . 1 1 15 15 LEU H H 15 9.200 9.200 8.980 0.220 19910 4335 1 9 . 1 1 16 16 THR N N 16 122.960 122.960 123.503 -0.543 19910 4336 1 9 . 1 1 16 16 THR HA H 16 4.849 4.849 5.000 -0.151 19910 4337 1 9 . 1 1 16 16 THR C C 16 172.810 172.810 173.617 -0.807 19910 4338 1 9 . 1 1 16 16 THR CA C 16 62.690 62.690 61.541 1.149 19910 4339 1 9 . 1 1 16 16 THR CB C 16 69.340 69.340 70.663 -1.323 19910 4340 1 9 . 1 1 16 16 THR H H 16 9.000 9.000 8.880 0.120 19910 4341 1 9 . 1 1 17 17 ILE N N 17 126.630 126.630 122.556 4.074 19910 4342 1 9 . 1 1 17 17 ILE HA H 17 4.439 4.439 4.273 0.166 19910 4343 1 9 . 1 1 17 17 ILE C C 17 172.580 172.580 173.510 -0.930 19910 4344 1 9 . 1 1 17 17 ILE CA C 17 60.030 60.030 59.425 0.605 19910 4345 1 9 . 1 1 17 17 ILE CB C 17 39.450 39.450 41.678 -2.228 19910 4346 1 9 . 1 1 17 17 ILE H H 17 8.680 8.680 8.194 0.486 19910 4347 1 9 . 1 1 18 18 ALA N N 18 130.190 130.190 126.046 4.144 19910 4348 1 9 . 1 1 18 18 ALA HA H 18 5.215 5.215 5.487 -0.272 19910 4349 1 9 . 1 1 18 18 ALA C C 18 176.660 176.660 175.837 0.823 19910 4350 1 9 . 1 1 18 18 ALA CA C 18 49.980 49.980 50.214 -0.234 19910 4351 1 9 . 1 1 18 18 ALA CB C 18 20.570 20.570 21.882 -1.312 19910 4352 1 9 . 1 1 18 18 ALA H H 18 8.490 8.490 8.343 0.147 19910 4353 1 9 . 1 1 19 19 ILE N N 19 124.920 124.920 122.717 2.203 19910 4354 1 9 . 1 1 19 19 ILE HA H 19 4.307 4.307 4.439 -0.132 19910 4355 1 9 . 1 1 19 19 ILE C C 19 174.710 174.710 175.046 -0.336 19910 4356 1 9 . 1 1 19 19 ILE CA C 19 60.990 60.990 59.752 1.238 19910 4357 1 9 . 1 1 19 19 ILE CB C 19 40.900 40.900 40.690 0.210 19910 4358 1 9 . 1 1 19 19 ILE H H 19 9.590 9.590 8.134 1.456 19910 4359 1 9 . 1 1 20 20 ARG N N 20 128.960 128.960 127.554 1.406 19910 4360 1 9 . 1 1 20 20 ARG HA H 20 4.642 4.642 4.333 0.309 19910 4361 1 9 . 1 1 20 20 ARG C C 20 174.890 174.890 175.523 -0.633 19910 4362 1 9 . 1 1 20 20 ARG CA C 20 56.030 56.030 56.749 -0.719 19910 4363 1 9 . 1 1 20 20 ARG CB C 20 29.530 29.530 30.331 -0.801 19910 4364 1 9 . 1 1 20 20 ARG H H 20 8.600 8.600 8.681 -0.081 19910 4365 1 9 . 1 1 21 21 VAL N N 21 120.400 120.400 121.683 -1.283 19910 4366 1 9 . 1 1 21 21 VAL HA H 21 4.010 4.010 4.216 -0.206 19910 4367 1 9 . 1 1 21 21 VAL C C 21 174.950 174.950 174.425 0.525 19910 4368 1 9 . 1 1 21 21 VAL CA C 21 59.420 59.420 60.895 -1.475 19910 4369 1 9 . 1 1 21 21 VAL CB C 21 33.280 33.280 34.800 -1.520 19910 4370 1 9 . 1 1 21 21 VAL H H 21 8.020 8.020 7.815 0.205 19910 4371 1 9 . 1 1 22 22 SER N N 22 118.050 118.050 121.492 -3.442 19910 4372 1 9 . 1 1 22 22 SER HA H 22 4.540 4.540 4.873 -0.333 19910 4373 1 9 . 1 1 22 22 SER C C 22 174.110 174.110 176.176 -2.066 19910 4374 1 9 . 1 1 22 22 SER CA C 22 59.540 59.540 58.505 1.035 19910 4375 1 9 . 1 1 22 22 SER CB C 22 63.600 63.600 64.412 -0.812 19910 4376 1 9 . 1 1 22 22 SER H H 22 7.770 7.770 8.529 -0.759 19910 4377 1 9 . 1 1 23 23 TYR N N 23 120.870 120.870 121.734 -0.864 19910 4378 1 9 . 1 1 23 23 TYR HA H 23 4.493 4.493 4.362 0.131 19910 4379 1 9 . 1 1 23 23 TYR C C 23 175.310 175.310 176.061 -0.751 19910 4380 1 9 . 1 1 23 23 TYR CA C 23 58.210 58.210 57.871 0.339 19910 4381 1 9 . 1 1 23 23 TYR CB C 23 37.880 37.880 38.473 -0.593 19910 4382 1 9 . 1 1 23 23 TYR H H 23 8.300 8.300 8.433 -0.133 19910 4383 1 9 . 1 1 24 24 ALA N N 24 122.670 122.670 120.609 2.061 19910 4384 1 9 . 1 1 24 24 ALA HA H 24 4.303 4.303 4.076 0.227 19910 4385 1 9 . 1 1 24 24 ALA C C 24 177.160 177.160 177.920 -0.760 19910 4386 1 9 . 1 1 24 24 ALA CA C 24 52.520 52.520 52.630 -0.110 19910 4387 1 9 . 1 1 24 24 ALA CB C 24 19.730 19.730 18.808 0.922 19910 4388 1 9 . 1 1 24 24 ALA H H 24 7.910 7.910 8.366 -0.456 19910 4389 1 9 . 1 1 25 25 ARG N N 25 119.060 119.060 123.375 -4.315 19910 4390 1 9 . 1 1 25 25 ARG HA H 25 4.346 4.346 4.186 0.160 19910 4391 1 9 . 1 1 25 25 ARG C C 25 175.830 175.830 177.163 -1.333 19910 4392 1 9 . 1 1 25 25 ARG CA C 25 55.550 55.550 57.992 -2.442 19910 4393 1 9 . 1 1 25 25 ARG CB C 25 30.500 30.500 31.073 -0.573 19910 4394 1 9 . 1 1 25 25 ARG H H 25 8.220 8.220 8.513 -0.293 19910 4395 1 9 . 1 1 26 26 VAL N N 26 118.660 118.660 117.466 1.194 19910 4396 1 9 . 1 1 26 26 VAL HA H 26 3.454 3.454 3.999 -0.545 19910 4397 1 9 . 1 1 26 26 VAL C C 26 175.700 175.700 175.907 -0.207 19910 4398 1 9 . 1 1 26 26 VAL CA C 26 61.960 61.960 62.574 -0.614 19910 4399 1 9 . 1 1 26 26 VAL CB C 26 32.800 32.800 32.642 0.158 19910 4400 1 9 . 1 1 26 26 VAL H H 26 7.650 7.650 7.918 -0.268 19910 4401 1 9 . 1 1 27 27 SER N N 27 116.090 116.090 118.280 -2.190 19910 4402 1 9 . 1 1 27 27 SER HA H 27 4.183 4.183 4.220 -0.037 19910 4403 1 9 . 1 1 27 27 SER C C 27 173.750 173.750 174.676 -0.926 19910 4404 1 9 . 1 1 27 27 SER CA C 27 58.570 58.570 60.106 -1.536 19910 4405 1 9 . 1 1 27 27 SER CB C 27 63.530 63.530 63.340 0.190 19910 4406 1 9 . 1 1 27 27 SER H H 27 8.180 8.180 8.428 -0.248 19910 4407 1 9 . 1 1 28 28 GLU N N 28 120.070 120.070 120.622 -0.552 19910 4408 1 9 . 1 1 28 28 GLU HA H 28 4.203 4.203 3.984 0.219 19910 4409 1 9 . 1 1 28 28 GLU C C 28 174.790 174.790 175.261 -0.471 19910 4410 1 9 . 1 1 28 28 GLU CA C 28 55.550 55.550 55.026 0.524 19910 4411 1 9 . 1 1 28 28 GLU CB C 28 30.620 30.620 30.735 -0.115 19910 4412 1 9 . 1 1 28 28 GLU H H 28 7.400 7.400 7.766 -0.366 19910 4413 1 9 . 1 1 29 29 PHE N N 29 120.340 120.340 121.552 -1.212 19910 4414 1 9 . 1 1 29 29 PHE HA H 29 4.487 4.487 4.537 -0.050 19910 4415 1 9 . 1 1 29 29 PHE C C 29 174.580 174.580 175.805 -1.225 19910 4416 1 9 . 1 1 29 29 PHE CA C 29 55.790 55.790 55.094 0.696 19910 4417 1 9 . 1 1 29 29 PHE CB C 29 39.690 39.690 39.900 -0.210 19910 4418 1 9 . 1 1 29 29 PHE H H 29 7.820 7.820 7.722 0.098 19910 4419 1 9 . 1 1 30 30 ASP N N 30 123.670 123.670 120.562 3.108 19910 4420 1 9 . 1 1 30 30 ASP HA H 30 4.817 4.817 4.973 -0.156 19910 4421 1 9 . 1 1 30 30 ASP C C 30 174.040 174.040 175.010 -0.970 19910 4422 1 9 . 1 1 30 30 ASP CA C 30 53.850 53.850 53.805 0.045 19910 4423 1 9 . 1 1 30 30 ASP CB C 30 43.450 43.450 42.549 0.901 19910 4424 1 9 . 1 1 30 30 ASP H H 30 8.420 8.420 8.423 -0.003 19910 4425 1 9 . 1 1 31 31 VAL N N 31 123.010 123.010 122.774 0.236 19910 4426 1 9 . 1 1 31 31 VAL HA H 31 4.768 4.768 4.790 -0.022 19910 4427 1 9 . 1 1 31 31 VAL C C 31 173.980 173.980 175.104 -1.124 19910 4428 1 9 . 1 1 31 31 VAL CA C 31 60.510 60.510 61.397 -0.887 19910 4429 1 9 . 1 1 31 31 VAL CB C 31 34.730 34.730 33.050 1.680 19910 4430 1 9 . 1 1 31 31 VAL H H 31 8.270 8.270 8.598 -0.328 19910 4431 1 9 . 1 1 32 32 TYR N N 32 127.340 127.340 128.268 -0.928 19910 4432 1 9 . 1 1 32 32 TYR HA H 32 4.624 4.624 4.782 -0.158 19910 4433 1 9 . 1 1 32 32 TYR C C 32 172.990 172.990 174.257 -1.267 19910 4434 1 9 . 1 1 32 32 TYR CA C 32 56.520 56.520 57.204 -0.684 19910 4435 1 9 . 1 1 32 32 TYR CB C 32 41.870 41.870 40.371 1.499 19910 4436 1 9 . 1 1 32 32 TYR H H 32 8.920 8.920 9.116 -0.196 19910 4437 1 9 . 1 1 33 33 PHE N N 33 121.160 121.160 122.537 -1.377 19910 4438 1 9 . 1 1 33 33 PHE HA H 33 5.106 5.106 6.029 -0.923 19910 4439 1 9 . 1 1 33 33 PHE C C 33 173.100 173.100 174.536 -1.436 19910 4440 1 9 . 1 1 33 33 PHE CA C 33 55.310 55.310 55.060 0.250 19910 4441 1 9 . 1 1 33 33 PHE CB C 33 40.420 40.420 41.877 -1.457 19910 4442 1 9 . 1 1 33 33 PHE H H 33 7.510 7.510 8.630 -1.120 19910 4443 1 9 . 1 1 34 34 GLU N N 34 120.460 120.460 125.449 -4.989 19910 4444 1 9 . 1 1 34 34 GLU HA H 34 4.099 4.099 4.560 -0.461 19910 4445 1 9 . 1 1 34 34 GLU C C 34 175.700 175.700 176.365 -0.665 19910 4446 1 9 . 1 1 34 34 GLU CA C 34 56.640 56.640 55.709 0.931 19910 4447 1 9 . 1 1 34 34 GLU CB C 34 31.340 31.340 32.933 -1.593 19910 4448 1 9 . 1 1 34 34 GLU H H 34 8.190 8.190 8.593 -0.403 19910 4449 1 9 . 1 1 35 35 GLY N N 35 117.400 117.400 115.848 1.552 19910 4450 1 9 . 1 1 35 35 GLY C C 35 173.120 173.120 174.500 -1.380 19910 4451 1 9 . 1 1 35 35 GLY CA C 35 47.680 47.680 47.436 0.244 19910 4452 1 9 . 1 1 35 35 GLY H H 35 9.240 9.240 9.032 0.208 19910 4453 1 9 . 1 1 36 36 SER N N 36 122.510 122.510 116.890 5.620 19910 4454 1 9 . 1 1 36 36 SER HA H 36 4.795 4.795 4.726 0.069 19910 4455 1 9 . 1 1 36 36 SER C C 36 172.680 172.680 172.419 0.261 19910 4456 1 9 . 1 1 36 36 SER CA C 36 57.360 57.360 57.482 -0.122 19910 4457 1 9 . 1 1 36 36 SER CB C 36 64.500 64.500 64.897 -0.397 19910 4458 1 9 . 1 1 36 36 SER H H 36 8.930 8.930 8.516 0.414 19910 4459 1 9 . 1 1 37 37 ASP N N 37 123.120 123.120 123.016 0.104 19910 4460 1 9 . 1 1 37 37 ASP HA H 37 5.192 5.192 5.171 0.021 19910 4461 1 9 . 1 1 37 37 ASP C C 37 174.170 174.170 173.792 0.378 19910 4462 1 9 . 1 1 37 37 ASP CA C 37 54.340 54.340 53.604 0.736 19910 4463 1 9 . 1 1 37 37 ASP CB C 37 43.810 43.810 44.405 -0.595 19910 4464 1 9 . 1 1 37 37 ASP H H 37 8.600 8.600 8.057 0.543 19910 4465 1 9 . 1 1 38 38 PHE N N 38 122.850 122.850 127.138 -4.288 19910 4466 1 9 . 1 1 38 38 PHE HA H 38 5.053 5.053 5.580 -0.527 19910 4467 1 9 . 1 1 38 38 PHE C C 38 172.810 172.810 173.112 -0.302 19910 4468 1 9 . 1 1 38 38 PHE CA C 38 57.000 57.000 56.022 0.978 19910 4469 1 9 . 1 1 38 38 PHE CB C 38 43.080 43.080 42.554 0.526 19910 4470 1 9 . 1 1 38 38 PHE H H 38 8.340 8.340 9.292 -0.952 19910 4471 1 9 . 1 1 39 39 LYS N N 39 126.630 126.630 128.660 -2.030 19910 4472 1 9 . 1 1 39 39 LYS HA H 39 4.816 4.816 5.222 -0.406 19910 4473 1 9 . 1 1 39 39 LYS C C 39 172.540 172.540 174.144 -1.604 19910 4474 1 9 . 1 1 39 39 LYS CA C 39 54.890 54.890 53.726 1.164 19910 4475 1 9 . 1 1 39 39 LYS CB C 39 36.790 36.790 34.636 2.154 19910 4476 1 9 . 1 1 39 39 LYS H H 39 8.690 8.690 8.893 -0.203 19910 4477 1 9 . 1 1 40 40 PHE N N 40 123.910 123.910 126.251 -2.341 19910 4478 1 9 . 1 1 40 40 PHE HA H 40 4.923 4.923 5.050 -0.127 19910 4479 1 9 . 1 1 40 40 PHE C C 40 171.900 171.900 173.015 -1.115 19910 4480 1 9 . 1 1 40 40 PHE CA C 40 55.910 55.910 55.086 0.825 19910 4481 1 9 . 1 1 40 40 PHE CB C 40 43.450 43.450 42.016 1.434 19910 4482 1 9 . 1 1 40 40 PHE H H 40 8.750 8.750 8.707 0.043 19910 4483 1 9 . 1 1 41 41 TYR N N 41 126.490 126.490 126.745 -0.255 19910 4484 1 9 . 1 1 41 41 TYR HA H 41 4.958 4.958 4.615 0.343 19910 4485 1 9 . 1 1 41 41 TYR C C 41 173.070 173.070 174.224 -1.154 19910 4486 1 9 . 1 1 41 41 TYR CA C 41 55.670 55.670 54.807 0.862 19910 4487 1 9 . 1 1 41 41 TYR CB C 41 41.510 41.510 38.283 3.227 19910 4488 1 9 . 1 1 41 41 TYR H H 41 8.450 8.450 8.438 0.012 19910 4489 1 9 . 1 1 42 42 ALA N N 42 129.720 129.720 125.256 4.464 19910 4490 1 9 . 1 1 42 42 ALA HA H 42 4.024 4.024 4.669 -0.645 19910 4491 1 9 . 1 1 42 42 ALA C C 42 174.350 174.350 176.238 -1.888 19910 4492 1 9 . 1 1 42 42 ALA CA C 42 51.190 51.190 50.456 0.734 19910 4493 1 9 . 1 1 42 42 ALA CB C 42 20.330 20.330 19.807 0.523 19910 4494 1 9 . 1 1 42 42 ALA H H 42 7.970 7.970 8.211 -0.241 19910 4495 1 9 . 1 1 43 43 LYS N N 43 124.250 124.250 118.495 5.755 19910 4496 1 9 . 1 1 43 43 LYS HA H 43 3.634 3.634 4.120 -0.486 19910 4497 1 9 . 1 1 43 43 LYS CA C 43 56.260 56.260 58.113 -1.853 19910 4498 1 9 . 1 1 43 43 LYS CB C 43 32.860 32.860 29.164 3.696 19910 4499 1 9 . 1 1 43 43 LYS H H 43 7.850 7.850 8.257 -0.407 19910 4500 1 9 . 1 1 44 44 PRO HA H 44 4.487 4.487 4.408 0.079 19910 4501 1 9 . 1 1 44 44 PRO C C 44 173.980 173.980 175.741 -1.761 19910 4502 1 9 . 1 1 44 44 PRO CA C 44 64.380 64.380 64.135 0.245 19910 4503 1 9 . 1 1 44 44 PRO CB C 44 34.010 34.010 31.769 2.241 19910 4504 1 9 . 1 1 45 45 TYR N N 45 126.840 126.840 119.191 7.649 19910 4505 1 9 . 1 1 45 45 TYR HA H 45 5.274 5.274 4.718 0.556 19910 4506 1 9 . 1 1 45 45 TYR C C 45 175.290 175.290 174.480 0.810 19910 4507 1 9 . 1 1 45 45 TYR CA C 45 58.330 58.330 56.271 2.059 19910 4508 1 9 . 1 1 45 45 TYR CB C 45 40.300 40.300 37.505 2.795 19910 4509 1 9 . 1 1 45 45 TYR H H 45 9.360 9.360 7.619 1.741 19910 4510 1 9 . 1 1 46 46 PHE N N 46 121.470 121.470 124.638 -3.168 19910 4511 1 9 . 1 1 46 46 PHE HA H 46 5.422 5.422 5.286 0.136 19910 4512 1 9 . 1 1 46 46 PHE C C 46 173.180 173.180 174.874 -1.694 19910 4513 1 9 . 1 1 46 46 PHE CA C 46 56.520 56.520 57.170 -0.650 19910 4514 1 9 . 1 1 46 46 PHE CB C 46 43.930 43.930 41.145 2.785 19910 4515 1 9 . 1 1 46 46 PHE H H 46 8.870 8.870 8.906 -0.036 19910 4516 1 9 . 1 1 47 47 LEU N N 47 129.700 129.700 129.086 0.614 19910 4517 1 9 . 1 1 47 47 LEU HA H 47 4.565 4.565 4.764 -0.199 19910 4518 1 9 . 1 1 47 47 LEU C C 47 171.770 171.770 174.703 -2.933 19910 4519 1 9 . 1 1 47 47 LEU CA C 47 53.130 53.130 53.912 -0.782 19910 4520 1 9 . 1 1 47 47 LEU CB C 47 47.560 47.560 44.481 3.079 19910 4521 1 9 . 1 1 47 47 LEU H H 47 8.850 8.850 8.801 0.049 19910 4522 1 9 . 1 1 48 48 ARG N N 48 127.760 127.760 128.101 -0.341 19910 4523 1 9 . 1 1 48 48 ARG HA H 48 5.283 5.283 5.224 0.058 19910 4524 1 9 . 1 1 48 48 ARG C C 48 174.090 174.090 174.809 -0.719 19910 4525 1 9 . 1 1 48 48 ARG CA C 48 54.100 54.100 55.015 -0.915 19910 4526 1 9 . 1 1 48 48 ARG CB C 48 33.160 33.160 31.462 1.698 19910 4527 1 9 . 1 1 48 48 ARG H H 48 8.620 8.620 8.669 -0.049 19910 4528 1 9 . 1 1 49 49 LEU N N 49 122.890 122.890 129.145 -6.255 19910 4529 1 9 . 1 1 49 49 LEU HA H 49 4.855 4.855 4.787 0.068 19910 4530 1 9 . 1 1 49 49 LEU C C 49 175.880 175.880 175.498 0.382 19910 4531 1 9 . 1 1 49 49 LEU CA C 49 52.880 52.880 54.092 -1.212 19910 4532 1 9 . 1 1 49 49 LEU CB C 49 47.800 47.800 45.835 1.965 19910 4533 1 9 . 1 1 49 49 LEU H H 49 8.970 8.970 9.285 -0.315 19910 4534 1 9 . 1 1 50 50 THR N N 50 118.610 118.610 119.481 -0.871 19910 4535 1 9 . 1 1 50 50 THR HA H 50 4.862 4.862 4.827 0.035 19910 4536 1 9 . 1 1 50 50 THR C C 50 174.610 174.610 174.596 0.014 19910 4537 1 9 . 1 1 50 50 THR CA C 50 61.110 61.110 61.395 -0.285 19910 4538 1 9 . 1 1 50 50 THR CB C 50 69.220 69.220 68.767 0.453 19910 4539 1 9 . 1 1 50 50 THR H H 50 8.670 8.670 8.470 0.200 19910 4540 1 9 . 1 1 51 51 LEU N N 51 126.300 126.300 129.246 -2.946 19910 4541 1 9 . 1 1 51 51 LEU HA H 51 4.302 4.302 4.281 0.021 19910 4542 1 9 . 1 1 51 51 LEU CA C 51 52.650 52.650 53.578 -0.928 19910 4543 1 9 . 1 1 51 51 LEU CB C 51 41.950 41.950 41.474 0.476 19910 4544 1 9 . 1 1 51 51 LEU H H 51 9.540 9.540 7.991 1.549 19910 4545 1 9 . 1 1 52 52 PRO HA H 52 4.401 4.401 4.194 0.207 19910 4546 1 9 . 1 1 52 52 PRO C C 52 174.240 174.240 176.550 -2.310 19910 4547 1 9 . 1 1 52 52 PRO CA C 52 62.690 62.690 63.770 -1.080 19910 4548 1 9 . 1 1 52 52 PRO CB C 52 30.620 30.620 32.039 -1.419 19910 4549 1 9 . 1 1 53 53 GLY N N 53 105.990 105.990 104.257 1.733 19910 4550 1 9 . 1 1 53 53 GLY C C 53 170.520 170.520 172.811 -2.291 19910 4551 1 9 . 1 1 53 53 GLY CA C 53 43.450 43.450 43.996 -0.546 19910 4552 1 9 . 1 1 53 53 GLY H H 53 6.550 6.550 6.456 0.094 19910 4553 1 9 . 1 1 54 54 ARG N N 54 115.660 115.660 118.798 -3.138 19910 4554 1 9 . 1 1 54 54 ARG HA H 54 4.347 4.347 5.074 -0.727 19910 4555 1 9 . 1 1 54 54 ARG C C 54 176.940 176.940 175.170 1.770 19910 4556 1 9 . 1 1 54 54 ARG CA C 54 55.890 55.890 55.072 0.818 19910 4557 1 9 . 1 1 54 54 ARG CB C 54 32.310 32.310 34.011 -1.701 19910 4558 1 9 . 1 1 54 54 ARG H H 54 8.210 8.210 8.317 -0.107 19910 4559 1 9 . 1 1 55 55 ILE N N 55 118.910 118.910 123.313 -4.403 19910 4560 1 9 . 1 1 55 55 ILE HA H 55 5.003 5.003 4.656 0.347 19910 4561 1 9 . 1 1 55 55 ILE C C 55 175.310 175.310 174.967 0.343 19910 4562 1 9 . 1 1 55 55 ILE CA C 55 58.500 58.500 58.287 0.213 19910 4563 1 9 . 1 1 55 55 ILE CB C 55 40.950 40.950 40.073 0.877 19910 4564 1 9 . 1 1 55 55 ILE H H 55 8.640 8.640 9.087 -0.447 19910 4565 1 9 . 1 1 56 56 VAL N N 56 118.140 118.140 125.553 -7.413 19910 4566 1 9 . 1 1 56 56 VAL HA H 56 4.438 4.438 3.918 0.520 19910 4567 1 9 . 1 1 56 56 VAL C C 56 172.920 172.920 175.276 -2.356 19910 4568 1 9 . 1 1 56 56 VAL CA C 56 60.510 60.510 63.593 -3.083 19910 4569 1 9 . 1 1 56 56 VAL CB C 56 34.850 34.850 32.758 2.092 19910 4570 1 9 . 1 1 56 56 VAL H H 56 8.330 8.330 7.931 0.399 19910 4571 1 9 . 1 1 57 57 GLU N N 57 123.300 123.300 129.246 -5.946 19910 4572 1 9 . 1 1 57 57 GLU HA H 57 4.358 4.358 4.776 -0.418 19910 4573 1 9 . 1 1 57 57 GLU C C 57 176.350 176.350 175.103 1.247 19910 4574 1 9 . 1 1 57 57 GLU CA C 57 55.890 55.890 56.240 -0.351 19910 4575 1 9 . 1 1 57 57 GLU CB C 57 29.880 29.880 30.785 -0.905 19910 4576 1 9 . 1 1 57 57 GLU H H 57 8.380 8.380 8.771 -0.391 19910 4577 1 9 . 1 1 58 58 ASN N N 58 121.570 121.570 123.713 -2.143 19910 4578 1 9 . 1 1 58 58 ASN HA H 58 4.764 4.764 4.779 -0.015 19910 4579 1 9 . 1 1 58 58 ASN C C 58 176.120 176.120 174.691 1.429 19910 4580 1 9 . 1 1 58 58 ASN CA C 58 52.760 52.760 54.049 -1.289 19910 4581 1 9 . 1 1 58 58 ASN CB C 58 38.970 38.970 39.293 -0.323 19910 4582 1 9 . 1 1 58 58 ASN H H 58 8.360 8.360 9.078 -0.718 19910 4583 1 9 . 1 1 59 59 GLY N N 59 112.050 112.050 107.891 4.159 19910 4584 1 9 . 1 1 59 59 GLY C C 59 174.840 174.840 174.607 0.233 19910 4585 1 9 . 1 1 59 59 GLY CA C 59 45.380 45.380 45.104 0.276 19910 4586 1 9 . 1 1 59 59 GLY H H 59 9.350 9.350 8.620 0.730 19910 4587 1 9 . 1 1 60 60 SER N N 60 115.430 115.430 115.826 -0.396 19910 4588 1 9 . 1 1 60 60 SER HA H 60 4.536 4.536 4.677 -0.141 19910 4589 1 9 . 1 1 60 60 SER C C 60 174.140 174.140 174.882 -0.742 19910 4590 1 9 . 1 1 60 60 SER CA C 60 58.810 58.810 57.519 1.291 19910 4591 1 9 . 1 1 60 60 SER CB C 60 64.140 64.140 63.362 0.778 19910 4592 1 9 . 1 1 60 60 SER H H 60 8.350 8.350 8.352 -0.002 19910 4593 1 9 . 1 1 61 61 GLU N N 61 122.950 122.950 120.220 2.730 19910 4594 1 9 . 1 1 61 61 GLU HA H 61 4.525 4.525 4.350 0.175 19910 4595 1 9 . 1 1 61 61 GLU C C 61 175.550 175.550 175.429 0.121 19910 4596 1 9 . 1 1 61 61 GLU CA C 61 56.520 56.520 55.961 0.559 19910 4597 1 9 . 1 1 61 61 GLU CB C 61 29.530 29.530 30.188 -0.658 19910 4598 1 9 . 1 1 61 61 GLU H H 61 8.910 8.910 7.801 1.109 19910 4599 1 9 . 1 1 62 62 GLN N N 62 120.280 120.280 118.076 2.204 19910 4600 1 9 . 1 1 62 62 GLN HA H 62 4.601 4.601 4.564 0.037 19910 4601 1 9 . 1 1 62 62 GLN C C 62 175.700 175.700 174.246 1.454 19910 4602 1 9 . 1 1 62 62 GLN CA C 62 55.430 55.430 55.175 0.255 19910 4603 1 9 . 1 1 62 62 GLN CB C 62 31.340 31.340 32.947 -1.607 19910 4604 1 9 . 1 1 62 62 GLN H H 62 8.310 8.310 8.129 0.181 19910 4605 1 9 . 1 1 63 63 GLY N N 63 111.400 111.400 109.115 2.285 19910 4606 1 9 . 1 1 63 63 GLY C C 63 172.550 172.550 173.091 -0.541 19910 4607 1 9 . 1 1 63 63 GLY CA C 63 44.690 44.690 44.915 -0.225 19910 4608 1 9 . 1 1 63 63 GLY H H 63 8.880 8.880 8.231 0.649 19910 4609 1 9 . 1 1 64 64 SER N N 64 115.080 115.080 115.844 -0.764 19910 4610 1 9 . 1 1 64 64 SER HA H 64 4.629 4.629 4.739 -0.110 19910 4611 1 9 . 1 1 64 64 SER C C 64 171.770 171.770 172.684 -0.914 19910 4612 1 9 . 1 1 64 64 SER CA C 64 57.120 57.120 58.357 -1.237 19910 4613 1 9 . 1 1 64 64 SER CB C 64 65.230 65.230 65.482 -0.252 19910 4614 1 9 . 1 1 64 64 SER H H 64 8.280 8.280 9.056 -0.776 19910 4615 1 9 . 1 1 65 65 TYR N N 65 124.640 124.640 127.861 -3.221 19910 4616 1 9 . 1 1 65 65 TYR HA H 65 5.198 5.198 5.452 -0.254 19910 4617 1 9 . 1 1 65 65 TYR C C 65 173.640 173.640 174.735 -1.095 19910 4618 1 9 . 1 1 65 65 TYR CA C 65 55.670 55.670 56.834 -1.164 19910 4619 1 9 . 1 1 65 65 TYR CB C 65 40.900 40.900 41.012 -0.112 19910 4620 1 9 . 1 1 65 65 TYR H H 65 8.980 8.980 8.623 0.357 19910 4621 1 9 . 1 1 66 66 ASP N N 66 128.570 128.570 128.845 -0.275 19910 4622 1 9 . 1 1 66 66 ASP HA H 66 4.532 4.532 4.639 -0.107 19910 4623 1 9 . 1 1 66 66 ASP C C 66 175.340 175.340 175.270 0.070 19910 4624 1 9 . 1 1 66 66 ASP CA C 66 51.800 51.800 52.951 -1.151 19910 4625 1 9 . 1 1 66 66 ASP CB C 66 41.510 41.510 42.410 -0.900 19910 4626 1 9 . 1 1 66 66 ASP H H 66 8.000 8.000 8.296 -0.296 19910 4627 1 9 . 1 1 67 67 ALA N N 67 127.520 127.520 129.048 -1.528 19910 4628 1 9 . 1 1 67 67 ALA HA H 67 3.597 3.597 3.892 -0.295 19910 4629 1 9 . 1 1 67 67 ALA C C 67 178.770 178.770 178.150 0.620 19910 4630 1 9 . 1 1 67 67 ALA CA C 67 53.850 53.850 54.478 -0.628 19910 4631 1 9 . 1 1 67 67 ALA CB C 67 18.640 18.640 18.742 -0.102 19910 4632 1 9 . 1 1 67 67 ALA H H 67 8.460 8.460 8.415 0.045 19910 4633 1 9 . 1 1 68 68 ASP N N 68 117.850 117.850 117.856 -0.006 19910 4634 1 9 . 1 1 68 68 ASP HA H 68 4.340 4.340 4.402 -0.062 19910 4635 1 9 . 1 1 68 68 ASP C C 68 177.780 177.780 177.452 0.328 19910 4636 1 9 . 1 1 68 68 ASP CA C 68 56.760 56.760 56.764 -0.005 19910 4637 1 9 . 1 1 68 68 ASP CB C 68 40.900 40.900 40.636 0.264 19910 4638 1 9 . 1 1 68 68 ASP H H 68 7.980 7.980 8.497 -0.517 19910 4639 1 9 . 1 1 69 69 LYS N N 69 115.790 115.790 117.672 -1.882 19910 4640 1 9 . 1 1 69 69 LYS HA H 69 4.119 4.119 4.205 -0.086 19910 4641 1 9 . 1 1 69 69 LYS C C 69 177.130 177.130 177.061 0.069 19910 4642 1 9 . 1 1 69 69 LYS CA C 69 56.150 56.150 56.539 -0.389 19910 4643 1 9 . 1 1 69 69 LYS CB C 69 34.010 34.010 33.097 0.913 19910 4644 1 9 . 1 1 69 69 LYS H H 69 7.390 7.390 7.912 -0.522 19910 4645 1 9 . 1 1 70 70 GLY N N 70 110.040 110.040 108.195 1.845 19910 4646 1 9 . 1 1 70 70 GLY C C 70 174.040 174.040 173.548 0.492 19910 4647 1 9 . 1 1 70 70 GLY CA C 70 46.830 46.830 45.590 1.240 19910 4648 1 9 . 1 1 70 70 GLY H H 70 8.030 8.030 8.042 -0.012 19910 4649 1 9 . 1 1 71 71 ILE N N 71 115.810 115.810 117.119 -1.309 19910 4650 1 9 . 1 1 71 71 ILE HA H 71 4.861 4.861 4.674 0.187 19910 4651 1 9 . 1 1 71 71 ILE C C 71 175.520 175.520 173.709 1.811 19910 4652 1 9 . 1 1 71 71 ILE CA C 71 59.420 59.420 58.701 0.719 19910 4653 1 9 . 1 1 71 71 ILE CB C 71 42.240 42.240 41.164 1.076 19910 4654 1 9 . 1 1 71 71 ILE H H 71 6.990 6.990 7.788 -0.798 19910 4655 1 9 . 1 1 72 72 PHE N N 72 132.630 132.630 126.238 6.392 19910 4656 1 9 . 1 1 72 72 PHE HA H 72 5.377 5.377 5.192 0.185 19910 4657 1 9 . 1 1 72 72 PHE C C 72 173.310 173.310 173.486 -0.176 19910 4658 1 9 . 1 1 72 72 PHE CA C 72 56.150 56.150 55.808 0.342 19910 4659 1 9 . 1 1 72 72 PHE CB C 72 41.630 41.630 40.784 0.846 19910 4660 1 9 . 1 1 72 72 PHE H H 72 9.720 9.720 8.594 1.126 19910 4661 1 9 . 1 1 73 73 THR N N 73 124.190 124.190 125.675 -1.485 19910 4662 1 9 . 1 1 73 73 THR HA H 73 5.047 5.047 5.003 0.044 19910 4663 1 9 . 1 1 73 73 THR C C 73 172.660 172.660 172.398 0.262 19910 4664 1 9 . 1 1 73 73 THR CA C 73 61.480 61.480 60.888 0.592 19910 4665 1 9 . 1 1 73 73 THR CB C 73 69.950 69.950 70.398 -0.448 19910 4666 1 9 . 1 1 73 73 THR H H 73 8.610 8.610 8.854 -0.244 19910 4667 1 9 . 1 1 74 74 ILE N N 74 125.780 125.780 126.786 -1.006 19910 4668 1 9 . 1 1 74 74 ILE HA H 74 4.557 4.557 4.729 -0.172 19910 4669 1 9 . 1 1 74 74 ILE C C 74 171.480 171.480 173.222 -1.742 19910 4670 1 9 . 1 1 74 74 ILE CA C 74 59.060 59.060 59.630 -0.570 19910 4671 1 9 . 1 1 74 74 ILE CB C 74 41.510 41.510 41.664 -0.154 19910 4672 1 9 . 1 1 74 74 ILE H H 74 8.850 8.850 8.173 0.677 19910 4673 1 9 . 1 1 75 75 ARG N N 75 127.330 127.330 128.044 -0.714 19910 4674 1 9 . 1 1 75 75 ARG HA H 75 4.859 4.859 4.565 0.294 19910 4675 1 9 . 1 1 75 75 ARG C C 75 174.790 174.790 174.728 0.062 19910 4676 1 9 . 1 1 75 75 ARG CA C 75 54.460 54.460 55.157 -0.697 19910 4677 1 9 . 1 1 75 75 ARG CB C 75 31.460 31.460 32.039 -0.579 19910 4678 1 9 . 1 1 75 75 ARG H H 75 8.320 8.320 8.572 -0.252 19910 4679 1 9 . 1 1 76 76 LEU N N 76 125.120 125.120 122.100 3.020 19910 4680 1 9 . 1 1 76 76 LEU HA H 76 4.819 4.819 4.821 -0.002 19910 4681 1 9 . 1 1 76 76 LEU CA C 76 50.530 50.530 51.483 -0.953 19910 4682 1 9 . 1 1 76 76 LEU CB C 76 43.070 43.070 44.344 -1.274 19910 4683 1 9 . 1 1 76 76 LEU H H 76 9.300 9.300 8.061 1.239 19910 4684 1 9 . 1 1 77 77 PRO HA H 77 4.114 4.114 4.220 -0.106 19910 4685 1 9 . 1 1 77 77 PRO C C 77 176.430 176.430 176.644 -0.214 19910 4686 1 9 . 1 1 77 77 PRO CA C 77 62.080 62.080 62.168 -0.088 19910 4687 1 9 . 1 1 77 77 PRO CB C 77 31.220 31.220 32.249 -1.029 19910 4688 1 9 . 1 1 78 78 LYS N N 78 122.800 122.800 120.676 2.124 19910 4689 1 9 . 1 1 78 78 LYS HA H 78 4.062 4.062 4.313 -0.251 19910 4690 1 9 . 1 1 78 78 LYS C C 78 176.590 176.590 176.598 -0.008 19910 4691 1 9 . 1 1 78 78 LYS CA C 78 57.730 57.730 55.321 2.409 19910 4692 1 9 . 1 1 78 78 LYS CB C 78 32.800 32.800 33.655 -0.855 19910 4693 1 9 . 1 1 78 78 LYS H H 78 7.790 7.790 7.810 -0.020 19910 4694 1 9 . 1 1 79 79 GLU N N 79 124.540 124.540 122.786 1.754 19910 4695 1 9 . 1 1 79 79 GLU HA H 79 3.689 3.689 4.316 -0.627 19910 4696 1 9 . 1 1 79 79 GLU C C 79 176.300 176.300 176.496 -0.196 19910 4697 1 9 . 1 1 79 79 GLU CA C 79 59.420 59.420 57.824 1.596 19910 4698 1 9 . 1 1 79 79 GLU CB C 79 30.500 30.500 30.349 0.151 19910 4699 1 9 . 1 1 79 79 GLU H H 79 8.520 8.520 8.737 -0.217 19910 4700 1 9 . 1 1 80 80 THR N N 80 115.960 115.960 117.398 -1.438 19910 4701 1 9 . 1 1 80 80 THR HA H 80 4.485 4.485 4.763 -0.278 19910 4702 1 9 . 1 1 80 80 THR CA C 80 59.120 59.120 59.694 -0.574 19910 4703 1 9 . 1 1 80 80 THR CB C 80 69.330 69.330 68.769 0.561 19910 4704 1 9 . 1 1 80 80 THR H H 80 9.070 9.070 7.845 1.225 19910 4705 1 9 . 1 1 81 81 PRO HA H 81 4.070 4.070 3.930 0.140 19910 4706 1 9 . 1 1 81 81 PRO C C 81 177.860 177.860 178.334 -0.474 19910 4707 1 9 . 1 1 81 81 PRO CA C 81 63.900 63.900 63.833 0.067 19910 4708 1 9 . 1 1 81 81 PRO CB C 81 31.460 31.460 31.833 -0.373 19910 4709 1 9 . 1 1 82 82 GLY N N 82 113.580 113.580 110.963 2.617 19910 4710 1 9 . 1 1 82 82 GLY C C 82 174.870 174.870 174.170 0.700 19910 4711 1 9 . 1 1 82 82 GLY CA C 82 45.140 45.140 45.013 0.127 19910 4712 1 9 . 1 1 82 82 GLY H H 82 9.150 9.150 8.357 0.793 19910 4713 1 9 . 1 1 83 83 GLN N N 83 122.820 122.820 120.632 2.188 19910 4714 1 9 . 1 1 83 83 GLN HA H 83 4.159 4.159 4.347 -0.188 19910 4715 1 9 . 1 1 83 83 GLN C C 83 175.180 175.180 174.582 0.598 19910 4716 1 9 . 1 1 83 83 GLN CA C 83 56.390 56.390 55.041 1.349 19910 4717 1 9 . 1 1 83 83 GLN CB C 83 29.410 29.410 30.215 -0.805 19910 4718 1 9 . 1 1 83 83 GLN H H 83 7.960 7.960 7.486 0.474 19910 4719 1 9 . 1 1 84 84 HIS N N 84 131.340 131.340 125.510 5.830 19910 4720 1 9 . 1 1 84 84 HIS HA H 84 4.299 4.299 4.677 -0.378 19910 4721 1 9 . 1 1 84 84 HIS C C 84 175.300 175.300 173.665 1.635 19910 4722 1 9 . 1 1 84 84 HIS CA C 84 56.640 56.640 54.186 2.454 19910 4723 1 9 . 1 1 84 84 HIS CB C 84 30.980 30.980 32.415 -1.435 19910 4724 1 9 . 1 1 84 84 HIS H H 84 9.220 9.220 8.571 0.649 19910 4725 1 9 . 1 1 85 85 PHE N N 85 130.320 130.320 126.601 3.719 19910 4726 1 9 . 1 1 85 85 PHE HA H 85 4.722 4.722 4.460 0.262 19910 4727 1 9 . 1 1 85 85 PHE C C 85 174.890 174.890 175.075 -0.185 19910 4728 1 9 . 1 1 85 85 PHE CA C 85 54.580 54.580 55.166 -0.586 19910 4729 1 9 . 1 1 85 85 PHE CB C 85 36.430 36.430 37.325 -0.895 19910 4730 1 9 . 1 1 85 85 PHE H H 85 9.130 9.130 8.715 0.415 19910 4731 1 9 . 1 1 86 86 GLU N N 86 126.010 126.010 123.532 2.478 19910 4732 1 9 . 1 1 86 86 GLU HA H 86 4.199 4.199 3.906 0.293 19910 4733 1 9 . 1 1 86 86 GLU C C 86 177.000 177.000 177.499 -0.499 19910 4734 1 9 . 1 1 86 86 GLU CA C 86 55.910 55.910 56.677 -0.767 19910 4735 1 9 . 1 1 86 86 GLU CB C 86 30.620 30.620 30.576 0.044 19910 4736 1 9 . 1 1 86 86 GLU H H 86 8.900 8.900 7.658 1.242 19910 4737 1 9 . 1 1 87 87 GLY N N 87 108.540 108.540 108.561 -0.021 19910 4738 1 9 . 1 1 87 87 GLY C C 87 177.370 177.370 175.307 2.063 19910 4739 1 9 . 1 1 87 87 GLY CA C 87 46.590 46.590 46.211 0.379 19910 4740 1 9 . 1 1 87 87 GLY H H 87 8.610 8.610 8.754 -0.144 19910 4741 1 9 . 1 1 88 88 LEU N N 88 119.830 119.830 120.478 -0.648 19910 4742 1 9 . 1 1 88 88 LEU HA H 88 3.775 3.775 4.001 -0.226 19910 4743 1 9 . 1 1 88 88 LEU C C 88 177.500 177.500 178.310 -0.810 19910 4744 1 9 . 1 1 88 88 LEU CA C 88 57.850 57.850 57.512 0.338 19910 4745 1 9 . 1 1 88 88 LEU CB C 88 40.780 40.780 42.084 -1.304 19910 4746 1 9 . 1 1 88 88 LEU H H 88 8.370 8.370 7.863 0.507 19910 4747 1 9 . 1 1 89 89 ASN N N 89 112.390 112.390 115.381 -2.991 19910 4748 1 9 . 1 1 89 89 ASN HA H 89 4.524 4.524 4.688 -0.164 19910 4749 1 9 . 1 1 89 89 ASN C C 89 175.440 175.440 175.201 0.239 19910 4750 1 9 . 1 1 89 89 ASN CA C 89 54.340 54.340 54.376 -0.036 19910 4751 1 9 . 1 1 89 89 ASN CB C 89 37.030 37.030 38.314 -1.284 19910 4752 1 9 . 1 1 89 89 ASN H H 89 8.470 8.470 8.314 0.156 19910 4753 1 9 . 1 1 90 90 MET N N 90 117.460 117.460 116.964 0.496 19910 4754 1 9 . 1 1 90 90 MET HA H 90 4.626 4.626 4.597 0.029 19910 4755 1 9 . 1 1 90 90 MET C C 90 176.040 176.040 176.429 -0.389 19910 4756 1 9 . 1 1 90 90 MET CA C 90 54.340 54.340 55.211 -0.871 19910 4757 1 9 . 1 1 90 90 MET CB C 90 32.550 32.550 33.729 -1.179 19910 4758 1 9 . 1 1 90 90 MET H H 90 7.460 7.460 7.503 -0.043 19910 4759 1 9 . 1 1 91 91 LEU N N 91 121.330 121.330 120.816 0.514 19910 4760 1 9 . 1 1 91 91 LEU HA H 91 4.277 4.277 4.389 -0.112 19910 4761 1 9 . 1 1 91 91 LEU C C 91 176.870 176.870 175.787 1.083 19910 4762 1 9 . 1 1 91 91 LEU CA C 91 56.390 56.390 55.993 0.397 19910 4763 1 9 . 1 1 91 91 LEU CB C 91 42.480 42.480 42.007 0.473 19910 4764 1 9 . 1 1 91 91 LEU H H 91 7.280 7.280 8.009 -0.729 19910 4765 1 9 . 1 1 92 92 THR N N 92 113.970 113.970 111.580 2.390 19910 4766 1 9 . 1 1 92 92 THR HA H 92 4.582 4.582 4.452 0.130 19910 4767 1 9 . 1 1 92 92 THR C C 92 173.180 173.180 172.971 0.209 19910 4768 1 9 . 1 1 92 92 THR CA C 92 60.390 60.390 60.611 -0.221 19910 4769 1 9 . 1 1 92 92 THR CB C 92 71.160 71.160 70.936 0.224 19910 4770 1 9 . 1 1 92 92 THR H H 92 8.110 8.110 8.068 0.042 19910 4771 1 9 . 1 1 93 93 ALA N N 93 124.650 124.650 125.075 -0.425 19910 4772 1 9 . 1 1 93 93 ALA HA H 93 4.245 4.245 4.672 -0.427 19910 4773 1 9 . 1 1 93 93 ALA C C 93 177.650 177.650 177.198 0.452 19910 4774 1 9 . 1 1 93 93 ALA CA C 93 52.640 52.640 52.029 0.611 19910 4775 1 9 . 1 1 93 93 ALA CB C 93 19.670 19.670 19.128 0.542 19910 4776 1 9 . 1 1 93 93 ALA H H 93 8.430 8.430 8.342 0.088 19910 4777 1 9 . 1 1 94 94 LEU N N 94 123.150 123.150 121.464 1.686 19910 4778 1 9 . 1 1 94 94 LEU HA H 94 4.450 4.450 4.782 -0.332 19910 4779 1 9 . 1 1 94 94 LEU C C 94 177.420 177.420 176.469 0.951 19910 4780 1 9 . 1 1 94 94 LEU CA C 94 54.940 54.940 54.258 0.682 19910 4781 1 9 . 1 1 94 94 LEU CB C 94 42.480 42.480 43.109 -0.629 19910 4782 1 9 . 1 1 94 94 LEU H H 94 8.450 8.450 8.228 0.222 19910 4783 1 9 . 1 1 95 95 LEU N N 95 124.390 124.390 125.159 -0.769 19910 4784 1 9 . 1 1 95 95 LEU HA H 95 4.409 4.409 4.540 -0.131 19910 4785 1 9 . 1 1 95 95 LEU C C 95 175.990 175.990 177.546 -1.556 19910 4786 1 9 . 1 1 95 95 LEU CA C 95 55.060 55.060 54.399 0.661 19910 4787 1 9 . 1 1 95 95 LEU CB C 95 42.360 42.360 40.843 1.517 19910 4788 1 9 . 1 1 95 95 LEU H H 95 8.380 8.380 8.554 -0.174 19910 4789 1 10 . 1 1 2 2 LEU N N 2 123.170 123.170 119.484 3.686 19910 4790 1 10 . 1 1 2 2 LEU HA H 2 4.588 4.588 4.867 -0.279 19910 4791 1 10 . 1 1 2 2 LEU C C 2 176.260 176.260 176.404 -0.144 19910 4792 1 10 . 1 1 2 2 LEU CA C 2 53.730 53.730 54.619 -0.889 19910 4793 1 10 . 1 1 2 2 LEU CB C 2 44.290 44.290 42.744 1.546 19910 4794 1 10 . 1 1 2 2 LEU H H 2 8.690 8.690 7.942 0.748 19910 4795 1 10 . 1 1 3 3 THR N N 3 120.960 120.960 118.447 2.513 19910 4796 1 10 . 1 1 3 3 THR HA H 3 5.193 5.193 4.448 0.745 19910 4797 1 10 . 1 1 3 3 THR CA C 3 59.990 59.990 60.465 -0.475 19910 4798 1 10 . 1 1 3 3 THR CB C 3 69.950 69.950 69.745 0.205 19910 4799 1 10 . 1 1 3 3 THR H H 3 8.850 8.850 8.449 0.401 19910 4800 1 10 . 1 1 4 4 PRO HA H 4 4.718 4.718 4.489 0.229 19910 4801 1 10 . 1 1 4 4 PRO C C 4 175.870 175.870 176.134 -0.264 19910 4802 1 10 . 1 1 4 4 PRO CA C 4 62.080 62.080 62.363 -0.283 19910 4803 1 10 . 1 1 4 4 PRO CB C 4 31.950 31.950 32.236 -0.286 19910 4804 1 10 . 1 1 5 5 ALA N N 5 122.560 122.560 122.541 0.019 19910 4805 1 10 . 1 1 5 5 ALA HA H 5 4.348 4.348 4.327 0.021 19910 4806 1 10 . 1 1 5 5 ALA C C 5 176.360 176.360 176.734 -0.374 19910 4807 1 10 . 1 1 5 5 ALA CA C 5 52.280 52.280 51.102 1.177 19910 4808 1 10 . 1 1 5 5 ALA CB C 5 18.880 18.880 16.805 2.075 19910 4809 1 10 . 1 1 5 5 ALA H H 5 8.400 8.400 8.254 0.146 19910 4810 1 10 . 1 1 6 6 PHE N N 6 115.160 115.160 118.733 -3.573 19910 4811 1 10 . 1 1 6 6 PHE HA H 6 5.537 5.537 4.835 0.702 19910 4812 1 10 . 1 1 6 6 PHE C C 6 172.590 172.590 174.980 -2.390 19910 4813 1 10 . 1 1 6 6 PHE CA C 6 55.430 55.430 56.555 -1.125 19910 4814 1 10 . 1 1 6 6 PHE CB C 6 42.240 42.240 40.335 1.905 19910 4815 1 10 . 1 1 6 6 PHE H H 6 7.740 7.740 7.909 -0.169 19910 4816 1 10 . 1 1 7 7 ASP N N 7 118.960 118.960 119.041 -0.081 19910 4817 1 10 . 1 1 7 7 ASP HA H 7 4.813 4.813 4.656 0.157 19910 4818 1 10 . 1 1 7 7 ASP C C 7 174.530 174.530 173.871 0.659 19910 4819 1 10 . 1 1 7 7 ASP CA C 7 53.370 53.370 53.416 -0.046 19910 4820 1 10 . 1 1 7 7 ASP CB C 7 45.380 45.380 44.583 0.797 19910 4821 1 10 . 1 1 7 7 ASP H H 7 8.910 8.910 8.400 0.510 19910 4822 1 10 . 1 1 8 8 LEU N N 8 123.470 123.470 121.547 1.923 19910 4823 1 10 . 1 1 8 8 LEU HA H 8 5.284 5.284 4.589 0.695 19910 4824 1 10 . 1 1 8 8 LEU C C 8 175.420 175.420 176.184 -0.764 19910 4825 1 10 . 1 1 8 8 LEU CA C 8 53.850 53.850 53.870 -0.020 19910 4826 1 10 . 1 1 8 8 LEU CB C 8 45.620 45.620 43.877 1.743 19910 4827 1 10 . 1 1 8 8 LEU H H 8 8.750 8.750 8.251 0.499 19910 4828 1 10 . 1 1 9 9 SER N N 9 115.920 115.920 117.969 -2.049 19910 4829 1 10 . 1 1 9 9 SER HA H 9 4.486 4.486 4.830 -0.344 19910 4830 1 10 . 1 1 9 9 SER C C 9 171.680 171.680 172.877 -1.197 19910 4831 1 10 . 1 1 9 9 SER CA C 9 57.000 57.000 57.075 -0.075 19910 4832 1 10 . 1 1 9 9 SER CB C 9 65.590 65.590 66.347 -0.757 19910 4833 1 10 . 1 1 9 9 SER H H 9 8.860 8.860 8.532 0.328 19910 4834 1 10 . 1 1 10 10 GLN N N 10 115.230 115.230 122.721 -7.491 19910 4835 1 10 . 1 1 10 10 GLN HA H 10 5.375 5.375 4.383 0.992 19910 4836 1 10 . 1 1 10 10 GLN C C 10 172.130 172.130 173.592 -1.462 19910 4837 1 10 . 1 1 10 10 GLN CA C 10 54.270 54.270 54.937 -0.667 19910 4838 1 10 . 1 1 10 10 GLN CB C 10 32.990 32.990 31.606 1.384 19910 4839 1 10 . 1 1 10 10 GLN H H 10 8.800 8.800 8.384 0.416 19910 4840 1 10 . 1 1 11 11 ASP N N 11 124.270 124.270 121.349 2.921 19910 4841 1 10 . 1 1 11 11 ASP HA H 11 4.768 4.768 4.929 -0.161 19910 4842 1 10 . 1 1 11 11 ASP CA C 11 52.530 52.530 51.017 1.513 19910 4843 1 10 . 1 1 11 11 ASP CB C 11 42.200 42.200 43.674 -1.474 19910 4844 1 10 . 1 1 11 11 ASP H H 11 8.680 8.680 8.479 0.201 19910 4845 1 10 . 1 1 12 12 PRO HA H 12 4.050 4.050 4.335 -0.285 19910 4846 1 10 . 1 1 12 12 PRO C C 12 175.290 175.290 175.782 -0.492 19910 4847 1 10 . 1 1 12 12 PRO CA C 12 66.920 66.920 64.429 2.491 19910 4848 1 10 . 1 1 12 12 PRO CB C 12 31.950 31.950 32.123 -0.173 19910 4849 1 10 . 1 1 13 13 ASP N N 13 110.550 110.550 115.102 -4.552 19910 4850 1 10 . 1 1 13 13 ASP HA H 13 4.632 4.632 4.621 0.011 19910 4851 1 10 . 1 1 13 13 ASP C C 13 176.480 176.480 174.352 2.128 19910 4852 1 10 . 1 1 13 13 ASP CA C 13 54.940 54.940 53.908 1.032 19910 4853 1 10 . 1 1 13 13 ASP CB C 13 44.410 44.410 42.342 2.068 19910 4854 1 10 . 1 1 13 13 ASP H H 13 7.990 7.990 8.388 -0.398 19910 4855 1 10 . 1 1 14 14 PHE N N 14 118.880 118.880 116.202 2.678 19910 4856 1 10 . 1 1 14 14 PHE HA H 14 5.049 5.049 4.899 0.150 19910 4857 1 10 . 1 1 14 14 PHE C C 14 174.690 174.690 173.111 1.579 19910 4858 1 10 . 1 1 14 14 PHE CA C 14 57.600 57.600 57.483 0.117 19910 4859 1 10 . 1 1 14 14 PHE CB C 14 42.960 42.960 43.293 -0.333 19910 4860 1 10 . 1 1 14 14 PHE H H 14 8.390 8.390 7.842 0.548 19910 4861 1 10 . 1 1 15 15 LEU N N 15 123.990 123.990 121.488 2.502 19910 4862 1 10 . 1 1 15 15 LEU HA H 15 4.613 4.613 4.690 -0.077 19910 4863 1 10 . 1 1 15 15 LEU C C 15 174.780 174.780 174.625 0.155 19910 4864 1 10 . 1 1 15 15 LEU CA C 15 53.250 53.250 54.222 -0.972 19910 4865 1 10 . 1 1 15 15 LEU CB C 15 45.020 45.020 44.705 0.316 19910 4866 1 10 . 1 1 15 15 LEU H H 15 9.200 9.200 9.126 0.074 19910 4867 1 10 . 1 1 16 16 THR N N 16 122.960 122.960 123.543 -0.583 19910 4868 1 10 . 1 1 16 16 THR HA H 16 4.849 4.849 5.041 -0.192 19910 4869 1 10 . 1 1 16 16 THR C C 16 172.810 172.810 173.722 -0.912 19910 4870 1 10 . 1 1 16 16 THR CA C 16 62.690 62.690 61.123 1.567 19910 4871 1 10 . 1 1 16 16 THR CB C 16 69.340 69.340 70.924 -1.584 19910 4872 1 10 . 1 1 16 16 THR H H 16 9.000 9.000 8.802 0.198 19910 4873 1 10 . 1 1 17 17 ILE N N 17 126.630 126.630 121.948 4.682 19910 4874 1 10 . 1 1 17 17 ILE HA H 17 4.439 4.439 4.266 0.173 19910 4875 1 10 . 1 1 17 17 ILE C C 17 172.580 172.580 173.550 -0.970 19910 4876 1 10 . 1 1 17 17 ILE CA C 17 60.030 60.030 59.455 0.575 19910 4877 1 10 . 1 1 17 17 ILE CB C 17 39.450 39.450 41.795 -2.345 19910 4878 1 10 . 1 1 17 17 ILE H H 17 8.680 8.680 8.358 0.322 19910 4879 1 10 . 1 1 18 18 ALA N N 18 130.190 130.190 126.366 3.824 19910 4880 1 10 . 1 1 18 18 ALA HA H 18 5.215 5.215 5.314 -0.099 19910 4881 1 10 . 1 1 18 18 ALA C C 18 176.660 176.660 175.722 0.938 19910 4882 1 10 . 1 1 18 18 ALA CA C 18 49.980 49.980 50.318 -0.338 19910 4883 1 10 . 1 1 18 18 ALA CB C 18 20.570 20.570 21.470 -0.900 19910 4884 1 10 . 1 1 18 18 ALA H H 18 8.490 8.490 8.299 0.191 19910 4885 1 10 . 1 1 19 19 ILE N N 19 124.920 124.920 123.724 1.196 19910 4886 1 10 . 1 1 19 19 ILE HA H 19 4.307 4.307 4.296 0.011 19910 4887 1 10 . 1 1 19 19 ILE C C 19 174.710 174.710 174.857 -0.147 19910 4888 1 10 . 1 1 19 19 ILE CA C 19 60.990 60.990 59.769 1.222 19910 4889 1 10 . 1 1 19 19 ILE CB C 19 40.900 40.900 40.022 0.878 19910 4890 1 10 . 1 1 19 19 ILE H H 19 9.590 9.590 8.438 1.152 19910 4891 1 10 . 1 1 20 20 ARG N N 20 128.960 128.960 128.100 0.860 19910 4892 1 10 . 1 1 20 20 ARG HA H 20 4.642 4.642 4.414 0.228 19910 4893 1 10 . 1 1 20 20 ARG C C 20 174.890 174.890 175.188 -0.298 19910 4894 1 10 . 1 1 20 20 ARG CA C 20 56.030 56.030 56.265 -0.235 19910 4895 1 10 . 1 1 20 20 ARG CB C 20 29.530 29.530 30.826 -1.296 19910 4896 1 10 . 1 1 20 20 ARG H H 20 8.600 8.600 8.622 -0.022 19910 4897 1 10 . 1 1 21 21 VAL N N 21 120.400 120.400 122.733 -2.333 19910 4898 1 10 . 1 1 21 21 VAL HA H 21 4.010 4.010 4.342 -0.332 19910 4899 1 10 . 1 1 21 21 VAL C C 21 174.950 174.950 174.427 0.523 19910 4900 1 10 . 1 1 21 21 VAL CA C 21 59.420 59.420 59.880 -0.460 19910 4901 1 10 . 1 1 21 21 VAL CB C 21 33.280 33.280 34.345 -1.065 19910 4902 1 10 . 1 1 21 21 VAL H H 21 8.020 8.020 8.033 -0.013 19910 4903 1 10 . 1 1 22 22 SER N N 22 118.050 118.050 120.831 -2.781 19910 4904 1 10 . 1 1 22 22 SER HA H 22 4.540 4.540 4.743 -0.203 19910 4905 1 10 . 1 1 22 22 SER C C 22 174.110 174.110 175.749 -1.639 19910 4906 1 10 . 1 1 22 22 SER CA C 22 59.540 59.540 58.255 1.285 19910 4907 1 10 . 1 1 22 22 SER CB C 22 63.600 63.600 63.881 -0.281 19910 4908 1 10 . 1 1 22 22 SER H H 22 7.770 7.770 8.281 -0.511 19910 4909 1 10 . 1 1 23 23 TYR N N 23 120.870 120.870 122.209 -1.339 19910 4910 1 10 . 1 1 23 23 TYR HA H 23 4.493 4.493 4.304 0.189 19910 4911 1 10 . 1 1 23 23 TYR C C 23 175.310 175.310 176.252 -0.942 19910 4912 1 10 . 1 1 23 23 TYR CA C 23 58.210 58.210 58.936 -0.726 19910 4913 1 10 . 1 1 23 23 TYR CB C 23 37.880 37.880 38.278 -0.398 19910 4914 1 10 . 1 1 23 23 TYR H H 23 8.300 8.300 8.768 -0.468 19910 4915 1 10 . 1 1 24 24 ALA N N 24 122.670 122.670 120.047 2.623 19910 4916 1 10 . 1 1 24 24 ALA HA H 24 4.303 4.303 4.040 0.263 19910 4917 1 10 . 1 1 24 24 ALA C C 24 177.160 177.160 177.621 -0.461 19910 4918 1 10 . 1 1 24 24 ALA CA C 24 52.520 52.520 52.675 -0.155 19910 4919 1 10 . 1 1 24 24 ALA CB C 24 19.730 19.730 18.981 0.749 19910 4920 1 10 . 1 1 24 24 ALA H H 24 7.910 7.910 8.424 -0.514 19910 4921 1 10 . 1 1 25 25 ARG N N 25 119.060 119.060 123.032 -3.972 19910 4922 1 10 . 1 1 25 25 ARG HA H 25 4.346 4.346 4.360 -0.014 19910 4923 1 10 . 1 1 25 25 ARG C C 25 175.830 175.830 176.050 -0.220 19910 4924 1 10 . 1 1 25 25 ARG CA C 25 55.550 55.550 56.121 -0.571 19910 4925 1 10 . 1 1 25 25 ARG CB C 25 30.500 30.500 30.388 0.112 19910 4926 1 10 . 1 1 25 25 ARG H H 25 8.220 8.220 8.607 -0.387 19910 4927 1 10 . 1 1 26 26 VAL N N 26 118.660 118.660 113.938 4.722 19910 4928 1 10 . 1 1 26 26 VAL HA H 26 3.454 3.454 4.444 -0.990 19910 4929 1 10 . 1 1 26 26 VAL C C 26 175.700 175.700 176.103 -0.403 19910 4930 1 10 . 1 1 26 26 VAL CA C 26 61.960 61.960 60.577 1.383 19910 4931 1 10 . 1 1 26 26 VAL CB C 26 32.800 32.800 34.388 -1.588 19910 4932 1 10 . 1 1 26 26 VAL H H 26 7.650 7.650 7.452 0.198 19910 4933 1 10 . 1 1 27 27 SER N N 27 116.090 116.090 119.128 -3.038 19910 4934 1 10 . 1 1 27 27 SER HA H 27 4.183 4.183 4.298 -0.115 19910 4935 1 10 . 1 1 27 27 SER C C 27 173.750 173.750 175.089 -1.339 19910 4936 1 10 . 1 1 27 27 SER CA C 27 58.570 58.570 60.871 -2.301 19910 4937 1 10 . 1 1 27 27 SER CB C 27 63.530 63.530 63.494 0.036 19910 4938 1 10 . 1 1 27 27 SER H H 27 8.180 8.180 8.756 -0.576 19910 4939 1 10 . 1 1 28 28 GLU N N 28 120.070 120.070 120.054 0.016 19910 4940 1 10 . 1 1 28 28 GLU HA H 28 4.203 4.203 4.048 0.155 19910 4941 1 10 . 1 1 28 28 GLU C C 28 174.790 174.790 175.413 -0.623 19910 4942 1 10 . 1 1 28 28 GLU CA C 28 55.550 55.550 55.393 0.157 19910 4943 1 10 . 1 1 28 28 GLU CB C 28 30.620 30.620 31.144 -0.524 19910 4944 1 10 . 1 1 28 28 GLU H H 28 7.400 7.400 7.790 -0.390 19910 4945 1 10 . 1 1 29 29 PHE N N 29 120.340 120.340 121.226 -0.886 19910 4946 1 10 . 1 1 29 29 PHE HA H 29 4.487 4.487 4.665 -0.178 19910 4947 1 10 . 1 1 29 29 PHE C C 29 174.580 174.580 175.836 -1.256 19910 4948 1 10 . 1 1 29 29 PHE CA C 29 55.790 55.790 55.137 0.653 19910 4949 1 10 . 1 1 29 29 PHE CB C 29 39.690 39.690 39.548 0.142 19910 4950 1 10 . 1 1 29 29 PHE H H 29 7.820 7.820 7.815 0.005 19910 4951 1 10 . 1 1 30 30 ASP N N 30 123.670 123.670 122.112 1.558 19910 4952 1 10 . 1 1 30 30 ASP HA H 30 4.817 4.817 4.986 -0.169 19910 4953 1 10 . 1 1 30 30 ASP C C 30 174.040 174.040 174.530 -0.490 19910 4954 1 10 . 1 1 30 30 ASP CA C 30 53.850 53.850 53.699 0.151 19910 4955 1 10 . 1 1 30 30 ASP CB C 30 43.450 43.450 43.488 -0.038 19910 4956 1 10 . 1 1 30 30 ASP H H 30 8.420 8.420 8.253 0.167 19910 4957 1 10 . 1 1 31 31 VAL N N 31 123.010 123.010 123.769 -0.759 19910 4958 1 10 . 1 1 31 31 VAL HA H 31 4.768 4.768 4.850 -0.082 19910 4959 1 10 . 1 1 31 31 VAL C C 31 173.980 173.980 175.129 -1.149 19910 4960 1 10 . 1 1 31 31 VAL CA C 31 60.510 60.510 61.534 -1.024 19910 4961 1 10 . 1 1 31 31 VAL CB C 31 34.730 34.730 33.483 1.247 19910 4962 1 10 . 1 1 31 31 VAL H H 31 8.270 8.270 8.551 -0.281 19910 4963 1 10 . 1 1 32 32 TYR N N 32 127.340 127.340 128.784 -1.444 19910 4964 1 10 . 1 1 32 32 TYR HA H 32 4.624 4.624 4.910 -0.286 19910 4965 1 10 . 1 1 32 32 TYR C C 32 172.990 172.990 174.468 -1.478 19910 4966 1 10 . 1 1 32 32 TYR CA C 32 56.520 56.520 56.868 -0.348 19910 4967 1 10 . 1 1 32 32 TYR CB C 32 41.870 41.870 40.292 1.578 19910 4968 1 10 . 1 1 32 32 TYR H H 32 8.920 8.920 9.167 -0.247 19910 4969 1 10 . 1 1 33 33 PHE N N 33 121.160 121.160 121.936 -0.776 19910 4970 1 10 . 1 1 33 33 PHE HA H 33 5.106 5.106 5.920 -0.814 19910 4971 1 10 . 1 1 33 33 PHE C C 33 173.100 173.100 174.568 -1.468 19910 4972 1 10 . 1 1 33 33 PHE CA C 33 55.310 55.310 54.715 0.596 19910 4973 1 10 . 1 1 33 33 PHE CB C 33 40.420 40.420 41.571 -1.151 19910 4974 1 10 . 1 1 33 33 PHE H H 33 7.510 7.510 8.930 -1.420 19910 4975 1 10 . 1 1 34 34 GLU N N 34 120.460 120.460 125.607 -5.147 19910 4976 1 10 . 1 1 34 34 GLU HA H 34 4.099 4.099 4.595 -0.496 19910 4977 1 10 . 1 1 34 34 GLU C C 34 175.700 175.700 176.749 -1.049 19910 4978 1 10 . 1 1 34 34 GLU CA C 34 56.640 56.640 55.634 1.006 19910 4979 1 10 . 1 1 34 34 GLU CB C 34 31.340 31.340 32.344 -1.004 19910 4980 1 10 . 1 1 34 34 GLU H H 34 8.190 8.190 8.503 -0.313 19910 4981 1 10 . 1 1 35 35 GLY N N 35 117.400 117.400 116.556 0.844 19910 4982 1 10 . 1 1 35 35 GLY C C 35 173.120 173.120 174.792 -1.672 19910 4983 1 10 . 1 1 35 35 GLY CA C 35 47.680 47.680 47.506 0.174 19910 4984 1 10 . 1 1 35 35 GLY H H 35 9.240 9.240 8.789 0.451 19910 4985 1 10 . 1 1 36 36 SER N N 36 122.510 122.510 116.348 6.162 19910 4986 1 10 . 1 1 36 36 SER HA H 36 4.795 4.795 4.758 0.037 19910 4987 1 10 . 1 1 36 36 SER C C 36 172.680 172.680 172.536 0.144 19910 4988 1 10 . 1 1 36 36 SER CA C 36 57.360 57.360 57.953 -0.593 19910 4989 1 10 . 1 1 36 36 SER CB C 36 64.500 64.500 65.041 -0.541 19910 4990 1 10 . 1 1 36 36 SER H H 36 8.930 8.930 8.607 0.323 19910 4991 1 10 . 1 1 37 37 ASP N N 37 123.120 123.120 124.082 -0.962 19910 4992 1 10 . 1 1 37 37 ASP HA H 37 5.192 5.192 5.093 0.099 19910 4993 1 10 . 1 1 37 37 ASP C C 37 174.170 174.170 174.149 0.021 19910 4994 1 10 . 1 1 37 37 ASP CA C 37 54.340 54.340 54.111 0.229 19910 4995 1 10 . 1 1 37 37 ASP CB C 37 43.810 43.810 43.111 0.699 19910 4996 1 10 . 1 1 37 37 ASP H H 37 8.600 8.600 8.191 0.409 19910 4997 1 10 . 1 1 38 38 PHE N N 38 122.850 122.850 128.216 -5.366 19910 4998 1 10 . 1 1 38 38 PHE HA H 38 5.053 5.053 5.501 -0.448 19910 4999 1 10 . 1 1 38 38 PHE C C 38 172.810 172.810 173.372 -0.562 19910 5000 1 10 . 1 1 38 38 PHE CA C 38 57.000 57.000 56.458 0.542 19910 5001 1 10 . 1 1 38 38 PHE CB C 38 43.080 43.080 41.875 1.205 19910 5002 1 10 . 1 1 38 38 PHE H H 38 8.340 8.340 8.883 -0.543 19910 5003 1 10 . 1 1 39 39 LYS N N 39 126.630 126.630 128.577 -1.947 19910 5004 1 10 . 1 1 39 39 LYS HA H 39 4.816 4.816 5.027 -0.211 19910 5005 1 10 . 1 1 39 39 LYS C C 39 172.540 172.540 174.422 -1.882 19910 5006 1 10 . 1 1 39 39 LYS CA C 39 54.890 54.890 54.163 0.727 19910 5007 1 10 . 1 1 39 39 LYS CB C 39 36.790 36.790 35.241 1.549 19910 5008 1 10 . 1 1 39 39 LYS H H 39 8.690 8.690 8.983 -0.293 19910 5009 1 10 . 1 1 40 40 PHE N N 40 123.910 123.910 126.009 -2.099 19910 5010 1 10 . 1 1 40 40 PHE HA H 40 4.923 4.923 5.409 -0.486 19910 5011 1 10 . 1 1 40 40 PHE C C 40 171.900 171.900 173.112 -1.212 19910 5012 1 10 . 1 1 40 40 PHE CA C 40 55.910 55.910 55.551 0.359 19910 5013 1 10 . 1 1 40 40 PHE CB C 40 43.450 43.450 42.623 0.827 19910 5014 1 10 . 1 1 40 40 PHE H H 40 8.750 8.750 8.717 0.033 19910 5015 1 10 . 1 1 41 41 TYR N N 41 126.490 126.490 126.242 0.248 19910 5016 1 10 . 1 1 41 41 TYR HA H 41 4.958 4.958 5.333 -0.375 19910 5017 1 10 . 1 1 41 41 TYR C C 41 173.070 173.070 174.306 -1.236 19910 5018 1 10 . 1 1 41 41 TYR CA C 41 55.670 55.670 55.774 -0.104 19910 5019 1 10 . 1 1 41 41 TYR CB C 41 41.510 41.510 39.883 1.627 19910 5020 1 10 . 1 1 41 41 TYR H H 41 8.450 8.450 8.551 -0.101 19910 5021 1 10 . 1 1 42 42 ALA N N 42 129.720 129.720 124.501 5.219 19910 5022 1 10 . 1 1 42 42 ALA HA H 42 4.024 4.024 4.731 -0.707 19910 5023 1 10 . 1 1 42 42 ALA C C 42 174.350 174.350 176.126 -1.776 19910 5024 1 10 . 1 1 42 42 ALA CA C 42 51.190 51.190 50.641 0.549 19910 5025 1 10 . 1 1 42 42 ALA CB C 42 20.330 20.330 19.606 0.724 19910 5026 1 10 . 1 1 42 42 ALA H H 42 7.970 7.970 9.061 -1.091 19910 5027 1 10 . 1 1 43 43 LYS N N 43 124.250 124.250 118.601 5.649 19910 5028 1 10 . 1 1 43 43 LYS HA H 43 3.634 3.634 4.055 -0.421 19910 5029 1 10 . 1 1 43 43 LYS CA C 43 56.260 56.260 58.176 -1.917 19910 5030 1 10 . 1 1 43 43 LYS CB C 43 32.860 32.860 29.599 3.260 19910 5031 1 10 . 1 1 43 43 LYS H H 43 7.850 7.850 8.283 -0.433 19910 5032 1 10 . 1 1 44 44 PRO HA H 44 4.487 4.487 4.418 0.069 19910 5033 1 10 . 1 1 44 44 PRO C C 44 173.980 173.980 175.400 -1.420 19910 5034 1 10 . 1 1 44 44 PRO CA C 44 64.380 64.380 63.859 0.521 19910 5035 1 10 . 1 1 44 44 PRO CB C 44 34.010 34.010 31.747 2.264 19910 5036 1 10 . 1 1 45 45 TYR N N 45 126.840 126.840 119.591 7.249 19910 5037 1 10 . 1 1 45 45 TYR HA H 45 5.274 5.274 4.703 0.571 19910 5038 1 10 . 1 1 45 45 TYR C C 45 175.290 175.290 174.058 1.232 19910 5039 1 10 . 1 1 45 45 TYR CA C 45 58.330 58.330 55.897 2.433 19910 5040 1 10 . 1 1 45 45 TYR CB C 45 40.300 40.300 38.873 1.427 19910 5041 1 10 . 1 1 45 45 TYR H H 45 9.360 9.360 7.438 1.922 19910 5042 1 10 . 1 1 46 46 PHE N N 46 121.470 121.470 125.664 -4.194 19910 5043 1 10 . 1 1 46 46 PHE HA H 46 5.422 5.422 5.659 -0.237 19910 5044 1 10 . 1 1 46 46 PHE C C 46 173.180 173.180 173.823 -0.643 19910 5045 1 10 . 1 1 46 46 PHE CA C 46 56.520 56.520 55.706 0.814 19910 5046 1 10 . 1 1 46 46 PHE CB C 46 43.930 43.930 41.951 1.979 19910 5047 1 10 . 1 1 46 46 PHE H H 46 8.870 8.870 8.883 -0.013 19910 5048 1 10 . 1 1 47 47 LEU N N 47 129.700 129.700 129.530 0.170 19910 5049 1 10 . 1 1 47 47 LEU HA H 47 4.565 4.565 4.218 0.347 19910 5050 1 10 . 1 1 47 47 LEU C C 47 171.770 171.770 174.360 -2.590 19910 5051 1 10 . 1 1 47 47 LEU CA C 47 53.130 53.130 53.475 -0.345 19910 5052 1 10 . 1 1 47 47 LEU CB C 47 47.560 47.560 44.974 2.586 19910 5053 1 10 . 1 1 47 47 LEU H H 47 8.850 8.850 9.093 -0.243 19910 5054 1 10 . 1 1 48 48 ARG N N 48 127.760 127.760 127.254 0.506 19910 5055 1 10 . 1 1 48 48 ARG HA H 48 5.283 5.283 4.951 0.332 19910 5056 1 10 . 1 1 48 48 ARG C C 48 174.090 174.090 174.750 -0.660 19910 5057 1 10 . 1 1 48 48 ARG CA C 48 54.100 54.100 54.573 -0.473 19910 5058 1 10 . 1 1 48 48 ARG CB C 48 33.160 33.160 31.149 2.011 19910 5059 1 10 . 1 1 48 48 ARG H H 48 8.620 8.620 8.074 0.546 19910 5060 1 10 . 1 1 49 49 LEU N N 49 122.890 122.890 129.012 -6.122 19910 5061 1 10 . 1 1 49 49 LEU HA H 49 4.855 4.855 4.780 0.075 19910 5062 1 10 . 1 1 49 49 LEU C C 49 175.880 175.880 175.753 0.127 19910 5063 1 10 . 1 1 49 49 LEU CA C 49 52.880 52.880 54.091 -1.211 19910 5064 1 10 . 1 1 49 49 LEU CB C 49 47.800 47.800 45.373 2.427 19910 5065 1 10 . 1 1 49 49 LEU H H 49 8.970 8.970 9.151 -0.181 19910 5066 1 10 . 1 1 50 50 THR N N 50 118.610 118.610 120.539 -1.929 19910 5067 1 10 . 1 1 50 50 THR HA H 50 4.862 4.862 4.853 0.009 19910 5068 1 10 . 1 1 50 50 THR C C 50 174.610 174.610 174.713 -0.103 19910 5069 1 10 . 1 1 50 50 THR CA C 50 61.110 61.110 61.528 -0.418 19910 5070 1 10 . 1 1 50 50 THR CB C 50 69.220 69.220 68.969 0.251 19910 5071 1 10 . 1 1 50 50 THR H H 50 8.670 8.670 8.440 0.230 19910 5072 1 10 . 1 1 51 51 LEU N N 51 126.300 126.300 128.592 -2.292 19910 5073 1 10 . 1 1 51 51 LEU HA H 51 4.302 4.302 4.445 -0.143 19910 5074 1 10 . 1 1 51 51 LEU CA C 51 52.650 52.650 53.200 -0.550 19910 5075 1 10 . 1 1 51 51 LEU CB C 51 41.950 41.950 41.554 0.396 19910 5076 1 10 . 1 1 51 51 LEU H H 51 9.540 9.540 7.998 1.542 19910 5077 1 10 . 1 1 52 52 PRO HA H 52 4.401 4.401 4.238 0.163 19910 5078 1 10 . 1 1 52 52 PRO C C 52 174.240 174.240 176.195 -1.955 19910 5079 1 10 . 1 1 52 52 PRO CA C 52 62.690 62.690 63.721 -1.031 19910 5080 1 10 . 1 1 52 52 PRO CB C 52 30.620 30.620 32.105 -1.485 19910 5081 1 10 . 1 1 53 53 GLY N N 53 105.990 105.990 105.689 0.301 19910 5082 1 10 . 1 1 53 53 GLY C C 53 170.520 170.520 172.818 -2.298 19910 5083 1 10 . 1 1 53 53 GLY CA C 53 43.450 43.450 44.012 -0.562 19910 5084 1 10 . 1 1 53 53 GLY H H 53 6.550 6.550 6.930 -0.380 19910 5085 1 10 . 1 1 54 54 ARG N N 54 115.660 115.660 118.951 -3.291 19910 5086 1 10 . 1 1 54 54 ARG HA H 54 4.347 4.347 5.150 -0.803 19910 5087 1 10 . 1 1 54 54 ARG C C 54 176.940 176.940 174.916 2.024 19910 5088 1 10 . 1 1 54 54 ARG CA C 54 55.890 55.890 55.289 0.601 19910 5089 1 10 . 1 1 54 54 ARG CB C 54 32.310 32.310 34.478 -2.168 19910 5090 1 10 . 1 1 54 54 ARG H H 54 8.210 8.210 8.355 -0.145 19910 5091 1 10 . 1 1 55 55 ILE N N 55 118.910 118.910 122.914 -4.004 19910 5092 1 10 . 1 1 55 55 ILE HA H 55 5.003 5.003 4.719 0.284 19910 5093 1 10 . 1 1 55 55 ILE C C 55 175.310 175.310 175.482 -0.172 19910 5094 1 10 . 1 1 55 55 ILE CA C 55 58.500 58.500 58.850 -0.350 19910 5095 1 10 . 1 1 55 55 ILE CB C 55 40.950 40.950 40.108 0.842 19910 5096 1 10 . 1 1 55 55 ILE H H 55 8.640 8.640 9.184 -0.544 19910 5097 1 10 . 1 1 56 56 VAL N N 56 118.140 118.140 127.099 -8.959 19910 5098 1 10 . 1 1 56 56 VAL HA H 56 4.438 4.438 3.970 0.468 19910 5099 1 10 . 1 1 56 56 VAL C C 56 172.920 172.920 175.186 -2.266 19910 5100 1 10 . 1 1 56 56 VAL CA C 56 60.510 60.510 63.368 -2.858 19910 5101 1 10 . 1 1 56 56 VAL CB C 56 34.850 34.850 33.014 1.836 19910 5102 1 10 . 1 1 56 56 VAL H H 56 8.330 8.330 8.094 0.236 19910 5103 1 10 . 1 1 57 57 GLU N N 57 123.300 123.300 126.181 -2.881 19910 5104 1 10 . 1 1 57 57 GLU HA H 57 4.358 4.358 4.689 -0.331 19910 5105 1 10 . 1 1 57 57 GLU C C 57 176.350 176.350 175.219 1.131 19910 5106 1 10 . 1 1 57 57 GLU CA C 57 55.890 55.890 55.779 0.111 19910 5107 1 10 . 1 1 57 57 GLU CB C 57 29.880 29.880 30.552 -0.672 19910 5108 1 10 . 1 1 57 57 GLU H H 57 8.380 8.380 8.518 -0.138 19910 5109 1 10 . 1 1 58 58 ASN N N 58 121.570 121.570 123.098 -1.528 19910 5110 1 10 . 1 1 58 58 ASN HA H 58 4.764 4.764 4.863 -0.099 19910 5111 1 10 . 1 1 58 58 ASN C C 58 176.120 176.120 175.899 0.221 19910 5112 1 10 . 1 1 58 58 ASN CA C 58 52.760 52.760 53.447 -0.687 19910 5113 1 10 . 1 1 58 58 ASN CB C 58 38.970 38.970 40.259 -1.289 19910 5114 1 10 . 1 1 58 58 ASN H H 58 8.360 8.360 9.032 -0.672 19910 5115 1 10 . 1 1 59 59 GLY N N 59 112.050 112.050 108.226 3.824 19910 5116 1 10 . 1 1 59 59 GLY C C 59 174.840 174.840 174.720 0.120 19910 5117 1 10 . 1 1 59 59 GLY CA C 59 45.380 45.380 45.361 0.019 19910 5118 1 10 . 1 1 59 59 GLY H H 59 9.350 9.350 8.484 0.866 19910 5119 1 10 . 1 1 60 60 SER N N 60 115.430 115.430 117.165 -1.735 19910 5120 1 10 . 1 1 60 60 SER HA H 60 4.536 4.536 4.488 0.048 19910 5121 1 10 . 1 1 60 60 SER C C 60 174.140 174.140 175.443 -1.303 19910 5122 1 10 . 1 1 60 60 SER CA C 60 58.810 58.810 59.279 -0.469 19910 5123 1 10 . 1 1 60 60 SER CB C 60 64.140 64.140 63.386 0.754 19910 5124 1 10 . 1 1 60 60 SER H H 60 8.350 8.350 8.119 0.231 19910 5125 1 10 . 1 1 61 61 GLU N N 61 122.950 122.950 118.507 4.443 19910 5126 1 10 . 1 1 61 61 GLU HA H 61 4.525 4.525 4.050 0.475 19910 5127 1 10 . 1 1 61 61 GLU C C 61 175.550 175.550 176.115 -0.565 19910 5128 1 10 . 1 1 61 61 GLU CA C 61 56.520 56.520 57.905 -1.385 19910 5129 1 10 . 1 1 61 61 GLU CB C 61 29.530 29.530 28.804 0.726 19910 5130 1 10 . 1 1 61 61 GLU H H 61 8.910 8.910 8.271 0.639 19910 5131 1 10 . 1 1 62 62 GLN N N 62 120.280 120.280 117.662 2.618 19910 5132 1 10 . 1 1 62 62 GLN HA H 62 4.601 4.601 4.514 0.087 19910 5133 1 10 . 1 1 62 62 GLN C C 62 175.700 175.700 174.754 0.946 19910 5134 1 10 . 1 1 62 62 GLN CA C 62 55.430 55.430 55.045 0.385 19910 5135 1 10 . 1 1 62 62 GLN CB C 62 31.340 31.340 33.690 -2.350 19910 5136 1 10 . 1 1 62 62 GLN H H 62 8.310 8.310 8.521 -0.211 19910 5137 1 10 . 1 1 63 63 GLY N N 63 111.400 111.400 108.655 2.745 19910 5138 1 10 . 1 1 63 63 GLY C C 63 172.550 172.550 172.590 -0.040 19910 5139 1 10 . 1 1 63 63 GLY CA C 63 44.690 44.690 45.659 -0.969 19910 5140 1 10 . 1 1 63 63 GLY H H 63 8.880 8.880 8.105 0.775 19910 5141 1 10 . 1 1 64 64 SER N N 64 115.080 115.080 114.982 0.098 19910 5142 1 10 . 1 1 64 64 SER HA H 64 4.629 4.629 4.788 -0.159 19910 5143 1 10 . 1 1 64 64 SER C C 64 171.770 171.770 172.204 -0.434 19910 5144 1 10 . 1 1 64 64 SER CA C 64 57.120 57.120 57.276 -0.156 19910 5145 1 10 . 1 1 64 64 SER CB C 64 65.230 65.230 65.145 0.085 19910 5146 1 10 . 1 1 64 64 SER H H 64 8.280 8.280 8.933 -0.653 19910 5147 1 10 . 1 1 65 65 TYR N N 65 124.640 124.640 127.136 -2.496 19910 5148 1 10 . 1 1 65 65 TYR HA H 65 5.198 5.198 5.447 -0.249 19910 5149 1 10 . 1 1 65 65 TYR C C 65 173.640 173.640 174.890 -1.250 19910 5150 1 10 . 1 1 65 65 TYR CA C 65 55.670 55.670 56.366 -0.696 19910 5151 1 10 . 1 1 65 65 TYR CB C 65 40.900 40.900 40.100 0.800 19910 5152 1 10 . 1 1 65 65 TYR H H 65 8.980 8.980 8.600 0.380 19910 5153 1 10 . 1 1 66 66 ASP N N 66 128.570 128.570 128.324 0.246 19910 5154 1 10 . 1 1 66 66 ASP HA H 66 4.532 4.532 4.746 -0.214 19910 5155 1 10 . 1 1 66 66 ASP C C 66 175.340 175.340 175.132 0.208 19910 5156 1 10 . 1 1 66 66 ASP CA C 66 51.800 51.800 52.832 -1.032 19910 5157 1 10 . 1 1 66 66 ASP CB C 66 41.510 41.510 43.389 -1.879 19910 5158 1 10 . 1 1 66 66 ASP H H 66 8.000 8.000 8.334 -0.334 19910 5159 1 10 . 1 1 67 67 ALA N N 67 127.520 127.520 127.618 -0.098 19910 5160 1 10 . 1 1 67 67 ALA HA H 67 3.597 3.597 3.909 -0.312 19910 5161 1 10 . 1 1 67 67 ALA C C 67 178.770 178.770 177.660 1.110 19910 5162 1 10 . 1 1 67 67 ALA CA C 67 53.850 53.850 54.404 -0.554 19910 5163 1 10 . 1 1 67 67 ALA CB C 67 18.640 18.640 18.989 -0.349 19910 5164 1 10 . 1 1 67 67 ALA H H 67 8.460 8.460 8.322 0.138 19910 5165 1 10 . 1 1 68 68 ASP N N 68 117.850 117.850 118.311 -0.461 19910 5166 1 10 . 1 1 68 68 ASP HA H 68 4.340 4.340 4.338 0.002 19910 5167 1 10 . 1 1 68 68 ASP C C 68 177.780 177.780 177.341 0.439 19910 5168 1 10 . 1 1 68 68 ASP CA C 68 56.760 56.760 56.494 0.266 19910 5169 1 10 . 1 1 68 68 ASP CB C 68 40.900 40.900 40.139 0.761 19910 5170 1 10 . 1 1 68 68 ASP H H 68 7.980 7.980 8.175 -0.195 19910 5171 1 10 . 1 1 69 69 LYS N N 69 115.790 115.790 118.787 -2.997 19910 5172 1 10 . 1 1 69 69 LYS HA H 69 4.119 4.119 4.255 -0.136 19910 5173 1 10 . 1 1 69 69 LYS C C 69 177.130 177.130 176.857 0.273 19910 5174 1 10 . 1 1 69 69 LYS CA C 69 56.150 56.150 56.346 -0.196 19910 5175 1 10 . 1 1 69 69 LYS CB C 69 34.010 34.010 33.032 0.978 19910 5176 1 10 . 1 1 69 69 LYS H H 69 7.390 7.390 8.211 -0.821 19910 5177 1 10 . 1 1 70 70 GLY N N 70 110.040 110.040 108.000 2.040 19910 5178 1 10 . 1 1 70 70 GLY C C 70 174.040 174.040 173.983 0.057 19910 5179 1 10 . 1 1 70 70 GLY CA C 70 46.830 46.830 45.773 1.057 19910 5180 1 10 . 1 1 70 70 GLY H H 70 8.030 8.030 7.628 0.402 19910 5181 1 10 . 1 1 71 71 ILE N N 71 115.810 115.810 118.527 -2.717 19910 5182 1 10 . 1 1 71 71 ILE HA H 71 4.861 4.861 4.584 0.277 19910 5183 1 10 . 1 1 71 71 ILE C C 71 175.520 175.520 173.738 1.782 19910 5184 1 10 . 1 1 71 71 ILE CA C 71 59.420 59.420 60.417 -0.997 19910 5185 1 10 . 1 1 71 71 ILE CB C 71 42.240 42.240 42.683 -0.443 19910 5186 1 10 . 1 1 71 71 ILE H H 71 6.990 6.990 8.030 -1.040 19910 5187 1 10 . 1 1 72 72 PHE N N 72 132.630 132.630 127.398 5.232 19910 5188 1 10 . 1 1 72 72 PHE HA H 72 5.377 5.377 5.375 0.002 19910 5189 1 10 . 1 1 72 72 PHE C C 72 173.310 173.310 173.723 -0.413 19910 5190 1 10 . 1 1 72 72 PHE CA C 72 56.150 56.150 54.452 1.698 19910 5191 1 10 . 1 1 72 72 PHE CB C 72 41.630 41.630 41.152 0.478 19910 5192 1 10 . 1 1 72 72 PHE H H 72 9.720 9.720 8.936 0.784 19910 5193 1 10 . 1 1 73 73 THR N N 73 124.190 124.190 125.003 -0.813 19910 5194 1 10 . 1 1 73 73 THR HA H 73 5.047 5.047 5.199 -0.152 19910 5195 1 10 . 1 1 73 73 THR C C 73 172.660 172.660 172.965 -0.305 19910 5196 1 10 . 1 1 73 73 THR CA C 73 61.480 61.480 60.612 0.868 19910 5197 1 10 . 1 1 73 73 THR CB C 73 69.950 69.950 70.425 -0.475 19910 5198 1 10 . 1 1 73 73 THR H H 73 8.610 8.610 8.921 -0.311 19910 5199 1 10 . 1 1 74 74 ILE N N 74 125.780 125.780 125.224 0.556 19910 5200 1 10 . 1 1 74 74 ILE HA H 74 4.557 4.557 4.759 -0.202 19910 5201 1 10 . 1 1 74 74 ILE C C 74 171.480 171.480 173.302 -1.822 19910 5202 1 10 . 1 1 74 74 ILE CA C 74 59.060 59.060 59.996 -0.936 19910 5203 1 10 . 1 1 74 74 ILE CB C 74 41.510 41.510 41.768 -0.258 19910 5204 1 10 . 1 1 74 74 ILE H H 74 8.850 8.850 8.336 0.514 19910 5205 1 10 . 1 1 75 75 ARG N N 75 127.330 127.330 127.630 -0.300 19910 5206 1 10 . 1 1 75 75 ARG HA H 75 4.859 4.859 4.623 0.236 19910 5207 1 10 . 1 1 75 75 ARG C C 75 174.790 174.790 175.005 -0.215 19910 5208 1 10 . 1 1 75 75 ARG CA C 75 54.460 54.460 54.901 -0.441 19910 5209 1 10 . 1 1 75 75 ARG CB C 75 31.460 31.460 31.758 -0.298 19910 5210 1 10 . 1 1 75 75 ARG H H 75 8.320 8.320 8.134 0.186 19910 5211 1 10 . 1 1 76 76 LEU N N 76 125.120 125.120 121.893 3.227 19910 5212 1 10 . 1 1 76 76 LEU HA H 76 4.819 4.819 5.035 -0.216 19910 5213 1 10 . 1 1 76 76 LEU CA C 76 50.530 50.530 52.006 -1.476 19910 5214 1 10 . 1 1 76 76 LEU CB C 76 43.070 43.070 45.187 -2.117 19910 5215 1 10 . 1 1 76 76 LEU H H 76 9.300 9.300 8.336 0.964 19910 5216 1 10 . 1 1 77 77 PRO HA H 77 4.114 4.114 4.720 -0.606 19910 5217 1 10 . 1 1 77 77 PRO C C 77 176.430 176.430 176.309 0.121 19910 5218 1 10 . 1 1 77 77 PRO CA C 77 62.080 62.080 61.489 0.591 19910 5219 1 10 . 1 1 77 77 PRO CB C 77 31.220 31.220 32.552 -1.332 19910 5220 1 10 . 1 1 78 78 LYS N N 78 122.800 122.800 120.744 2.056 19910 5221 1 10 . 1 1 78 78 LYS HA H 78 4.062 4.062 4.350 -0.288 19910 5222 1 10 . 1 1 78 78 LYS C C 78 176.590 176.590 176.854 -0.264 19910 5223 1 10 . 1 1 78 78 LYS CA C 78 57.730 57.730 54.967 2.763 19910 5224 1 10 . 1 1 78 78 LYS CB C 78 32.800 32.800 33.750 -0.950 19910 5225 1 10 . 1 1 78 78 LYS H H 78 7.790 7.790 7.916 -0.126 19910 5226 1 10 . 1 1 79 79 GLU N N 79 124.540 124.540 123.141 1.399 19910 5227 1 10 . 1 1 79 79 GLU HA H 79 3.689 3.689 4.269 -0.580 19910 5228 1 10 . 1 1 79 79 GLU C C 79 176.300 176.300 176.535 -0.235 19910 5229 1 10 . 1 1 79 79 GLU CA C 79 59.420 59.420 58.281 1.139 19910 5230 1 10 . 1 1 79 79 GLU CB C 79 30.500 30.500 30.240 0.260 19910 5231 1 10 . 1 1 79 79 GLU H H 79 8.520 8.520 8.844 -0.324 19910 5232 1 10 . 1 1 80 80 THR N N 80 115.960 115.960 116.869 -0.909 19910 5233 1 10 . 1 1 80 80 THR HA H 80 4.485 4.485 4.752 -0.267 19910 5234 1 10 . 1 1 80 80 THR CA C 80 59.120 59.120 59.856 -0.736 19910 5235 1 10 . 1 1 80 80 THR CB C 80 69.330 69.330 69.103 0.227 19910 5236 1 10 . 1 1 80 80 THR H H 80 9.070 9.070 7.844 1.226 19910 5237 1 10 . 1 1 81 81 PRO HA H 81 4.070 4.070 3.859 0.211 19910 5238 1 10 . 1 1 81 81 PRO C C 81 177.860 177.860 178.011 -0.151 19910 5239 1 10 . 1 1 81 81 PRO CA C 81 63.900 63.900 63.932 -0.032 19910 5240 1 10 . 1 1 81 81 PRO CB C 81 31.460 31.460 31.941 -0.481 19910 5241 1 10 . 1 1 82 82 GLY N N 82 113.580 113.580 109.623 3.957 19910 5242 1 10 . 1 1 82 82 GLY C C 82 174.870 174.870 174.375 0.495 19910 5243 1 10 . 1 1 82 82 GLY CA C 82 45.140 45.140 44.918 0.222 19910 5244 1 10 . 1 1 82 82 GLY H H 82 9.150 9.150 8.334 0.816 19910 5245 1 10 . 1 1 83 83 GLN N N 83 122.820 122.820 120.294 2.526 19910 5246 1 10 . 1 1 83 83 GLN HA H 83 4.159 4.159 4.404 -0.245 19910 5247 1 10 . 1 1 83 83 GLN C C 83 175.180 175.180 175.050 0.130 19910 5248 1 10 . 1 1 83 83 GLN CA C 83 56.390 56.390 55.060 1.330 19910 5249 1 10 . 1 1 83 83 GLN CB C 83 29.410 29.410 29.822 -0.412 19910 5250 1 10 . 1 1 83 83 GLN H H 83 7.960 7.960 7.443 0.517 19910 5251 1 10 . 1 1 84 84 HIS N N 84 131.340 131.340 125.460 5.880 19910 5252 1 10 . 1 1 84 84 HIS HA H 84 4.299 4.299 4.839 -0.540 19910 5253 1 10 . 1 1 84 84 HIS C C 84 175.300 175.300 174.181 1.119 19910 5254 1 10 . 1 1 84 84 HIS CA C 84 56.640 56.640 54.531 2.110 19910 5255 1 10 . 1 1 84 84 HIS CB C 84 30.980 30.980 31.075 -0.095 19910 5256 1 10 . 1 1 84 84 HIS H H 84 9.220 9.220 8.606 0.614 19910 5257 1 10 . 1 1 85 85 PHE N N 85 130.320 130.320 126.760 3.560 19910 5258 1 10 . 1 1 85 85 PHE HA H 85 4.722 4.722 4.621 0.101 19910 5259 1 10 . 1 1 85 85 PHE C C 85 174.890 174.890 175.788 -0.898 19910 5260 1 10 . 1 1 85 85 PHE CA C 85 54.580 54.580 55.399 -0.819 19910 5261 1 10 . 1 1 85 85 PHE CB C 85 36.430 36.430 37.412 -0.982 19910 5262 1 10 . 1 1 85 85 PHE H H 85 9.130 9.130 8.646 0.484 19910 5263 1 10 . 1 1 86 86 GLU N N 86 126.010 126.010 123.490 2.520 19910 5264 1 10 . 1 1 86 86 GLU HA H 86 4.199 4.199 4.514 -0.315 19910 5265 1 10 . 1 1 86 86 GLU C C 86 177.000 177.000 177.467 -0.467 19910 5266 1 10 . 1 1 86 86 GLU CA C 86 55.910 55.910 56.580 -0.670 19910 5267 1 10 . 1 1 86 86 GLU CB C 86 30.620 30.620 31.155 -0.535 19910 5268 1 10 . 1 1 86 86 GLU H H 86 8.900 8.900 7.983 0.917 19910 5269 1 10 . 1 1 87 87 GLY N N 87 108.540 108.540 107.314 1.226 19910 5270 1 10 . 1 1 87 87 GLY C C 87 177.370 177.370 175.301 2.069 19910 5271 1 10 . 1 1 87 87 GLY CA C 87 46.590 46.590 46.219 0.371 19910 5272 1 10 . 1 1 87 87 GLY H H 87 8.610 8.610 8.816 -0.206 19910 5273 1 10 . 1 1 88 88 LEU N N 88 119.830 119.830 119.585 0.245 19910 5274 1 10 . 1 1 88 88 LEU HA H 88 3.775 3.775 3.962 -0.187 19910 5275 1 10 . 1 1 88 88 LEU C C 88 177.500 177.500 178.740 -1.240 19910 5276 1 10 . 1 1 88 88 LEU CA C 88 57.850 57.850 57.995 -0.145 19910 5277 1 10 . 1 1 88 88 LEU CB C 88 40.780 40.780 41.833 -1.053 19910 5278 1 10 . 1 1 88 88 LEU H H 88 8.370 8.370 7.987 0.383 19910 5279 1 10 . 1 1 89 89 ASN N N 89 112.390 112.390 116.643 -4.253 19910 5280 1 10 . 1 1 89 89 ASN HA H 89 4.524 4.524 4.704 -0.180 19910 5281 1 10 . 1 1 89 89 ASN C C 89 175.440 175.440 175.348 0.092 19910 5282 1 10 . 1 1 89 89 ASN CA C 89 54.340 54.340 54.597 -0.257 19910 5283 1 10 . 1 1 89 89 ASN CB C 89 37.030 37.030 38.230 -1.200 19910 5284 1 10 . 1 1 89 89 ASN H H 89 8.470 8.470 8.408 0.062 19910 5285 1 10 . 1 1 90 90 MET N N 90 117.460 117.460 115.637 1.823 19910 5286 1 10 . 1 1 90 90 MET HA H 90 4.626 4.626 4.503 0.123 19910 5287 1 10 . 1 1 90 90 MET C C 90 176.040 176.040 175.741 0.299 19910 5288 1 10 . 1 1 90 90 MET CA C 90 54.340 54.340 54.566 -0.226 19910 5289 1 10 . 1 1 90 90 MET CB C 90 32.550 32.550 33.416 -0.866 19910 5290 1 10 . 1 1 90 90 MET H H 90 7.460 7.460 7.753 -0.293 19910 5291 1 10 . 1 1 91 91 LEU N N 91 121.330 121.330 120.916 0.414 19910 5292 1 10 . 1 1 91 91 LEU HA H 91 4.277 4.277 4.335 -0.058 19910 5293 1 10 . 1 1 91 91 LEU C C 91 176.870 176.870 177.563 -0.693 19910 5294 1 10 . 1 1 91 91 LEU CA C 91 56.390 56.390 55.392 0.998 19910 5295 1 10 . 1 1 91 91 LEU CB C 91 42.480 42.480 42.772 -0.291 19910 5296 1 10 . 1 1 91 91 LEU H H 91 7.280 7.280 7.482 -0.202 19910 5297 1 10 . 1 1 92 92 THR N N 92 113.970 113.970 113.176 0.794 19910 5298 1 10 . 1 1 92 92 THR HA H 92 4.582 4.582 4.521 0.061 19910 5299 1 10 . 1 1 92 92 THR C C 92 173.180 173.180 173.071 0.109 19910 5300 1 10 . 1 1 92 92 THR CA C 92 60.390 60.390 60.817 -0.427 19910 5301 1 10 . 1 1 92 92 THR CB C 92 71.160 71.160 70.337 0.823 19910 5302 1 10 . 1 1 92 92 THR H H 92 8.110 8.110 8.064 0.046 19910 5303 1 10 . 1 1 93 93 ALA N N 93 124.650 124.650 124.497 0.153 19910 5304 1 10 . 1 1 93 93 ALA HA H 93 4.245 4.245 4.779 -0.534 19910 5305 1 10 . 1 1 93 93 ALA C C 93 177.650 177.650 176.690 0.960 19910 5306 1 10 . 1 1 93 93 ALA CA C 93 52.640 52.640 51.206 1.434 19910 5307 1 10 . 1 1 93 93 ALA CB C 93 19.670 19.670 19.323 0.347 19910 5308 1 10 . 1 1 93 93 ALA H H 93 8.430 8.430 8.312 0.118 19910 5309 1 10 . 1 1 94 94 LEU N N 94 123.150 123.150 122.393 0.757 19910 5310 1 10 . 1 1 94 94 LEU HA H 94 4.450 4.450 4.831 -0.381 19910 5311 1 10 . 1 1 94 94 LEU C C 94 177.420 177.420 175.974 1.446 19910 5312 1 10 . 1 1 94 94 LEU CA C 94 54.940 54.940 54.334 0.606 19910 5313 1 10 . 1 1 94 94 LEU CB C 94 42.480 42.480 41.871 0.609 19910 5314 1 10 . 1 1 94 94 LEU H H 94 8.450 8.450 8.526 -0.076 19910 5315 1 10 . 1 1 95 95 LEU N N 95 124.390 124.390 126.043 -1.653 19910 5316 1 10 . 1 1 95 95 LEU HA H 95 4.409 4.409 4.664 -0.255 19910 5317 1 10 . 1 1 95 95 LEU C C 95 175.990 175.990 177.263 -1.273 19910 5318 1 10 . 1 1 95 95 LEU CA C 95 55.060 55.060 54.844 0.216 19910 5319 1 10 . 1 1 95 95 LEU CB C 95 42.360 42.360 41.992 0.368 19910 5320 1 10 . 1 1 95 95 LEU H H 95 8.380 8.380 8.579 -0.199 19910 5321 1 11 . 1 1 2 2 LEU N N 2 123.170 123.170 123.968 -0.798 19910 5322 1 11 . 1 1 2 2 LEU HA H 2 4.588 4.588 4.667 -0.079 19910 5323 1 11 . 1 1 2 2 LEU C C 2 176.260 176.260 176.602 -0.342 19910 5324 1 11 . 1 1 2 2 LEU CA C 2 53.730 53.730 54.765 -1.035 19910 5325 1 11 . 1 1 2 2 LEU CB C 2 44.290 44.290 42.820 1.470 19910 5326 1 11 . 1 1 2 2 LEU H H 2 8.690 8.690 8.438 0.252 19910 5327 1 11 . 1 1 3 3 THR N N 3 120.960 120.960 119.976 0.984 19910 5328 1 11 . 1 1 3 3 THR HA H 3 5.193 5.193 4.443 0.750 19910 5329 1 11 . 1 1 3 3 THR CA C 3 59.990 59.990 60.327 -0.337 19910 5330 1 11 . 1 1 3 3 THR CB C 3 69.950 69.950 69.081 0.869 19910 5331 1 11 . 1 1 3 3 THR H H 3 8.850 8.850 8.215 0.635 19910 5332 1 11 . 1 1 4 4 PRO HA H 4 4.718 4.718 4.443 0.275 19910 5333 1 11 . 1 1 4 4 PRO C C 4 175.870 175.870 176.549 -0.679 19910 5334 1 11 . 1 1 4 4 PRO CA C 4 62.080 62.080 62.501 -0.421 19910 5335 1 11 . 1 1 4 4 PRO CB C 4 31.950 31.950 32.334 -0.384 19910 5336 1 11 . 1 1 5 5 ALA N N 5 122.560 122.560 125.966 -3.406 19910 5337 1 11 . 1 1 5 5 ALA HA H 5 4.348 4.348 4.288 0.060 19910 5338 1 11 . 1 1 5 5 ALA C C 5 176.360 176.360 177.050 -0.690 19910 5339 1 11 . 1 1 5 5 ALA CA C 5 52.280 52.280 51.133 1.147 19910 5340 1 11 . 1 1 5 5 ALA CB C 5 18.880 18.880 17.558 1.322 19910 5341 1 11 . 1 1 5 5 ALA H H 5 8.400 8.400 8.420 -0.020 19910 5342 1 11 . 1 1 6 6 PHE N N 6 115.160 115.160 118.711 -3.551 19910 5343 1 11 . 1 1 6 6 PHE HA H 6 5.537 5.537 4.611 0.926 19910 5344 1 11 . 1 1 6 6 PHE C C 6 172.590 172.590 174.906 -2.316 19910 5345 1 11 . 1 1 6 6 PHE CA C 6 55.430 55.430 57.432 -2.002 19910 5346 1 11 . 1 1 6 6 PHE CB C 6 42.240 42.240 40.255 1.985 19910 5347 1 11 . 1 1 6 6 PHE H H 6 7.740 7.740 7.966 -0.226 19910 5348 1 11 . 1 1 7 7 ASP N N 7 118.960 118.960 118.888 0.072 19910 5349 1 11 . 1 1 7 7 ASP HA H 7 4.813 4.813 4.832 -0.019 19910 5350 1 11 . 1 1 7 7 ASP C C 7 174.530 174.530 173.998 0.532 19910 5351 1 11 . 1 1 7 7 ASP CA C 7 53.370 53.370 53.803 -0.433 19910 5352 1 11 . 1 1 7 7 ASP CB C 7 45.380 45.380 45.067 0.313 19910 5353 1 11 . 1 1 7 7 ASP H H 7 8.910 8.910 8.744 0.166 19910 5354 1 11 . 1 1 8 8 LEU N N 8 123.470 123.470 120.683 2.787 19910 5355 1 11 . 1 1 8 8 LEU HA H 8 5.284 5.284 4.588 0.696 19910 5356 1 11 . 1 1 8 8 LEU C C 8 175.420 175.420 176.294 -0.874 19910 5357 1 11 . 1 1 8 8 LEU CA C 8 53.850 53.850 53.917 -0.067 19910 5358 1 11 . 1 1 8 8 LEU CB C 8 45.620 45.620 43.747 1.873 19910 5359 1 11 . 1 1 8 8 LEU H H 8 8.750 8.750 8.394 0.356 19910 5360 1 11 . 1 1 9 9 SER N N 9 115.920 115.920 117.398 -1.478 19910 5361 1 11 . 1 1 9 9 SER HA H 9 4.486 4.486 4.864 -0.378 19910 5362 1 11 . 1 1 9 9 SER C C 9 171.680 171.680 173.209 -1.529 19910 5363 1 11 . 1 1 9 9 SER CA C 9 57.000 57.000 56.999 0.001 19910 5364 1 11 . 1 1 9 9 SER CB C 9 65.590 65.590 65.602 -0.012 19910 5365 1 11 . 1 1 9 9 SER H H 9 8.860 8.860 8.760 0.100 19910 5366 1 11 . 1 1 10 10 GLN N N 10 115.230 115.230 122.188 -6.958 19910 5367 1 11 . 1 1 10 10 GLN HA H 10 5.375 5.375 4.643 0.732 19910 5368 1 11 . 1 1 10 10 GLN C C 10 172.130 172.130 174.040 -1.910 19910 5369 1 11 . 1 1 10 10 GLN CA C 10 54.270 54.270 54.551 -0.281 19910 5370 1 11 . 1 1 10 10 GLN CB C 10 32.990 32.990 31.591 1.399 19910 5371 1 11 . 1 1 10 10 GLN H H 10 8.800 8.800 8.390 0.410 19910 5372 1 11 . 1 1 11 11 ASP N N 11 124.270 124.270 122.571 1.699 19910 5373 1 11 . 1 1 11 11 ASP HA H 11 4.768 4.768 5.066 -0.298 19910 5374 1 11 . 1 1 11 11 ASP CA C 11 52.530 52.530 51.615 0.915 19910 5375 1 11 . 1 1 11 11 ASP CB C 11 42.200 42.200 43.604 -1.404 19910 5376 1 11 . 1 1 11 11 ASP H H 11 8.680 8.680 8.606 0.074 19910 5377 1 11 . 1 1 12 12 PRO HA H 12 4.050 4.050 4.450 -0.400 19910 5378 1 11 . 1 1 12 12 PRO C C 12 175.290 175.290 176.024 -0.734 19910 5379 1 11 . 1 1 12 12 PRO CA C 12 66.920 66.920 64.588 2.332 19910 5380 1 11 . 1 1 12 12 PRO CB C 12 31.950 31.950 32.025 -0.075 19910 5381 1 11 . 1 1 13 13 ASP N N 13 110.550 110.550 116.152 -5.602 19910 5382 1 11 . 1 1 13 13 ASP HA H 13 4.632 4.632 4.631 0.001 19910 5383 1 11 . 1 1 13 13 ASP C C 13 176.480 176.480 173.920 2.560 19910 5384 1 11 . 1 1 13 13 ASP CA C 13 54.940 54.940 53.795 1.145 19910 5385 1 11 . 1 1 13 13 ASP CB C 13 44.410 44.410 41.916 2.494 19910 5386 1 11 . 1 1 13 13 ASP H H 13 7.990 7.990 8.547 -0.557 19910 5387 1 11 . 1 1 14 14 PHE N N 14 118.880 118.880 115.874 3.006 19910 5388 1 11 . 1 1 14 14 PHE HA H 14 5.049 5.049 4.843 0.206 19910 5389 1 11 . 1 1 14 14 PHE C C 14 174.690 174.690 173.146 1.544 19910 5390 1 11 . 1 1 14 14 PHE CA C 14 57.600 57.600 57.328 0.272 19910 5391 1 11 . 1 1 14 14 PHE CB C 14 42.960 42.960 43.102 -0.142 19910 5392 1 11 . 1 1 14 14 PHE H H 14 8.390 8.390 7.827 0.563 19910 5393 1 11 . 1 1 15 15 LEU N N 15 123.990 123.990 121.580 2.410 19910 5394 1 11 . 1 1 15 15 LEU HA H 15 4.613 4.613 4.638 -0.025 19910 5395 1 11 . 1 1 15 15 LEU C C 15 174.780 174.780 174.724 0.056 19910 5396 1 11 . 1 1 15 15 LEU CA C 15 53.250 53.250 54.349 -1.099 19910 5397 1 11 . 1 1 15 15 LEU CB C 15 45.020 45.020 44.516 0.505 19910 5398 1 11 . 1 1 15 15 LEU H H 15 9.200 9.200 8.892 0.308 19910 5399 1 11 . 1 1 16 16 THR N N 16 122.960 122.960 123.759 -0.799 19910 5400 1 11 . 1 1 16 16 THR HA H 16 4.849 4.849 4.910 -0.061 19910 5401 1 11 . 1 1 16 16 THR C C 16 172.810 172.810 173.698 -0.888 19910 5402 1 11 . 1 1 16 16 THR CA C 16 62.690 62.690 61.971 0.719 19910 5403 1 11 . 1 1 16 16 THR CB C 16 69.340 69.340 70.373 -1.033 19910 5404 1 11 . 1 1 16 16 THR H H 16 9.000 9.000 8.756 0.244 19910 5405 1 11 . 1 1 17 17 ILE N N 17 126.630 126.630 124.597 2.033 19910 5406 1 11 . 1 1 17 17 ILE HA H 17 4.439 4.439 4.163 0.276 19910 5407 1 11 . 1 1 17 17 ILE C C 17 172.580 172.580 173.615 -1.035 19910 5408 1 11 . 1 1 17 17 ILE CA C 17 60.030 60.030 59.704 0.326 19910 5409 1 11 . 1 1 17 17 ILE CB C 17 39.450 39.450 40.531 -1.081 19910 5410 1 11 . 1 1 17 17 ILE H H 17 8.680 8.680 8.180 0.500 19910 5411 1 11 . 1 1 18 18 ALA N N 18 130.190 130.190 126.402 3.788 19910 5412 1 11 . 1 1 18 18 ALA HA H 18 5.215 5.215 5.356 -0.141 19910 5413 1 11 . 1 1 18 18 ALA C C 18 176.660 176.660 175.720 0.940 19910 5414 1 11 . 1 1 18 18 ALA CA C 18 49.980 49.980 50.342 -0.362 19910 5415 1 11 . 1 1 18 18 ALA CB C 18 20.570 20.570 21.651 -1.081 19910 5416 1 11 . 1 1 18 18 ALA H H 18 8.490 8.490 8.311 0.179 19910 5417 1 11 . 1 1 19 19 ILE N N 19 124.920 124.920 123.796 1.124 19910 5418 1 11 . 1 1 19 19 ILE HA H 19 4.307 4.307 4.447 -0.140 19910 5419 1 11 . 1 1 19 19 ILE C C 19 174.710 174.710 174.590 0.120 19910 5420 1 11 . 1 1 19 19 ILE CA C 19 60.990 60.990 60.098 0.892 19910 5421 1 11 . 1 1 19 19 ILE CB C 19 40.900 40.900 41.019 -0.119 19910 5422 1 11 . 1 1 19 19 ILE H H 19 9.590 9.590 8.471 1.119 19910 5423 1 11 . 1 1 20 20 ARG N N 20 128.960 128.960 129.223 -0.263 19910 5424 1 11 . 1 1 20 20 ARG HA H 20 4.642 4.642 4.795 -0.153 19910 5425 1 11 . 1 1 20 20 ARG C C 20 174.890 174.890 174.547 0.343 19910 5426 1 11 . 1 1 20 20 ARG CA C 20 56.030 56.030 55.564 0.466 19910 5427 1 11 . 1 1 20 20 ARG CB C 20 29.530 29.530 31.200 -1.670 19910 5428 1 11 . 1 1 20 20 ARG H H 20 8.600 8.600 8.714 -0.114 19910 5429 1 11 . 1 1 21 21 VAL N N 21 120.400 120.400 121.716 -1.316 19910 5430 1 11 . 1 1 21 21 VAL HA H 21 4.010 4.010 4.495 -0.485 19910 5431 1 11 . 1 1 21 21 VAL C C 21 174.950 174.950 175.010 -0.060 19910 5432 1 11 . 1 1 21 21 VAL CA C 21 59.420 59.420 61.390 -1.970 19910 5433 1 11 . 1 1 21 21 VAL CB C 21 33.280 33.280 35.263 -1.983 19910 5434 1 11 . 1 1 21 21 VAL H H 21 8.020 8.020 7.694 0.326 19910 5435 1 11 . 1 1 22 22 SER N N 22 118.050 118.050 121.147 -3.097 19910 5436 1 11 . 1 1 22 22 SER HA H 22 4.540 4.540 4.709 -0.169 19910 5437 1 11 . 1 1 22 22 SER C C 22 174.110 174.110 174.980 -0.870 19910 5438 1 11 . 1 1 22 22 SER CA C 22 59.540 59.540 58.520 1.020 19910 5439 1 11 . 1 1 22 22 SER CB C 22 63.600 63.600 63.926 -0.326 19910 5440 1 11 . 1 1 22 22 SER H H 22 7.770 7.770 8.476 -0.706 19910 5441 1 11 . 1 1 23 23 TYR N N 23 120.870 120.870 121.397 -0.527 19910 5442 1 11 . 1 1 23 23 TYR HA H 23 4.493 4.493 4.464 0.029 19910 5443 1 11 . 1 1 23 23 TYR C C 23 175.310 175.310 175.010 0.300 19910 5444 1 11 . 1 1 23 23 TYR CA C 23 58.210 58.210 57.214 0.996 19910 5445 1 11 . 1 1 23 23 TYR CB C 23 37.880 37.880 37.633 0.247 19910 5446 1 11 . 1 1 23 23 TYR H H 23 8.300 8.300 8.154 0.146 19910 5447 1 11 . 1 1 24 24 ALA N N 24 122.670 122.670 123.070 -0.400 19910 5448 1 11 . 1 1 24 24 ALA HA H 24 4.303 4.303 4.090 0.213 19910 5449 1 11 . 1 1 24 24 ALA C C 24 177.160 177.160 177.677 -0.517 19910 5450 1 11 . 1 1 24 24 ALA CA C 24 52.520 52.520 53.076 -0.556 19910 5451 1 11 . 1 1 24 24 ALA CB C 24 19.730 19.730 18.918 0.812 19910 5452 1 11 . 1 1 24 24 ALA H H 24 7.910 7.910 7.777 0.133 19910 5453 1 11 . 1 1 25 25 ARG N N 25 119.060 119.060 121.458 -2.398 19910 5454 1 11 . 1 1 25 25 ARG HA H 25 4.346 4.346 4.287 0.059 19910 5455 1 11 . 1 1 25 25 ARG C C 25 175.830 175.830 175.160 0.670 19910 5456 1 11 . 1 1 25 25 ARG CA C 25 55.550 55.550 56.003 -0.453 19910 5457 1 11 . 1 1 25 25 ARG CB C 25 30.500 30.500 30.511 -0.011 19910 5458 1 11 . 1 1 25 25 ARG H H 25 8.220 8.220 8.452 -0.232 19910 5459 1 11 . 1 1 26 26 VAL N N 26 118.660 118.660 113.646 5.014 19910 5460 1 11 . 1 1 26 26 VAL HA H 26 3.454 3.454 4.316 -0.862 19910 5461 1 11 . 1 1 26 26 VAL C C 26 175.700 175.700 175.715 -0.015 19910 5462 1 11 . 1 1 26 26 VAL CA C 26 61.960 61.960 60.721 1.239 19910 5463 1 11 . 1 1 26 26 VAL CB C 26 32.800 32.800 33.867 -1.067 19910 5464 1 11 . 1 1 26 26 VAL H H 26 7.650 7.650 7.434 0.216 19910 5465 1 11 . 1 1 27 27 SER N N 27 116.090 116.090 118.230 -2.140 19910 5466 1 11 . 1 1 27 27 SER HA H 27 4.183 4.183 4.289 -0.106 19910 5467 1 11 . 1 1 27 27 SER C C 27 173.750 173.750 174.496 -0.746 19910 5468 1 11 . 1 1 27 27 SER CA C 27 58.570 58.570 60.497 -1.927 19910 5469 1 11 . 1 1 27 27 SER CB C 27 63.530 63.530 63.493 0.037 19910 5470 1 11 . 1 1 27 27 SER H H 27 8.180 8.180 8.714 -0.534 19910 5471 1 11 . 1 1 28 28 GLU N N 28 120.070 120.070 119.301 0.769 19910 5472 1 11 . 1 1 28 28 GLU HA H 28 4.203 4.203 4.001 0.202 19910 5473 1 11 . 1 1 28 28 GLU C C 28 174.790 174.790 174.960 -0.170 19910 5474 1 11 . 1 1 28 28 GLU CA C 28 55.550 55.550 55.389 0.161 19910 5475 1 11 . 1 1 28 28 GLU CB C 28 30.620 30.620 31.292 -0.672 19910 5476 1 11 . 1 1 28 28 GLU H H 28 7.400 7.400 7.766 -0.366 19910 5477 1 11 . 1 1 29 29 PHE N N 29 120.340 120.340 119.332 1.008 19910 5478 1 11 . 1 1 29 29 PHE HA H 29 4.487 4.487 4.767 -0.280 19910 5479 1 11 . 1 1 29 29 PHE C C 29 174.580 174.580 175.840 -1.260 19910 5480 1 11 . 1 1 29 29 PHE CA C 29 55.790 55.790 54.254 1.536 19910 5481 1 11 . 1 1 29 29 PHE CB C 29 39.690 39.690 40.175 -0.485 19910 5482 1 11 . 1 1 29 29 PHE H H 29 7.820 7.820 7.753 0.067 19910 5483 1 11 . 1 1 30 30 ASP N N 30 123.670 123.670 122.362 1.308 19910 5484 1 11 . 1 1 30 30 ASP HA H 30 4.817 4.817 4.796 0.021 19910 5485 1 11 . 1 1 30 30 ASP C C 30 174.040 174.040 174.428 -0.388 19910 5486 1 11 . 1 1 30 30 ASP CA C 30 53.850 53.850 53.392 0.459 19910 5487 1 11 . 1 1 30 30 ASP CB C 30 43.450 43.450 42.191 1.259 19910 5488 1 11 . 1 1 30 30 ASP H H 30 8.420 8.420 8.407 0.013 19910 5489 1 11 . 1 1 31 31 VAL N N 31 123.010 123.010 122.340 0.670 19910 5490 1 11 . 1 1 31 31 VAL HA H 31 4.768 4.768 4.818 -0.050 19910 5491 1 11 . 1 1 31 31 VAL C C 31 173.980 173.980 174.922 -0.942 19910 5492 1 11 . 1 1 31 31 VAL CA C 31 60.510 60.510 60.889 -0.379 19910 5493 1 11 . 1 1 31 31 VAL CB C 31 34.730 34.730 32.416 2.314 19910 5494 1 11 . 1 1 31 31 VAL H H 31 8.270 8.270 8.353 -0.083 19910 5495 1 11 . 1 1 32 32 TYR N N 32 127.340 127.340 127.074 0.266 19910 5496 1 11 . 1 1 32 32 TYR HA H 32 4.624 4.624 4.691 -0.067 19910 5497 1 11 . 1 1 32 32 TYR C C 32 172.990 172.990 174.138 -1.148 19910 5498 1 11 . 1 1 32 32 TYR CA C 32 56.520 56.520 56.349 0.171 19910 5499 1 11 . 1 1 32 32 TYR CB C 32 41.870 41.870 40.804 1.066 19910 5500 1 11 . 1 1 32 32 TYR H H 32 8.920 8.920 8.732 0.188 19910 5501 1 11 . 1 1 33 33 PHE N N 33 121.160 121.160 120.588 0.572 19910 5502 1 11 . 1 1 33 33 PHE HA H 33 5.106 5.106 6.021 -0.915 19910 5503 1 11 . 1 1 33 33 PHE C C 33 173.100 173.100 174.880 -1.780 19910 5504 1 11 . 1 1 33 33 PHE CA C 33 55.310 55.310 55.133 0.177 19910 5505 1 11 . 1 1 33 33 PHE CB C 33 40.420 40.420 41.987 -1.567 19910 5506 1 11 . 1 1 33 33 PHE H H 33 7.510 7.510 8.235 -0.725 19910 5507 1 11 . 1 1 34 34 GLU N N 34 120.460 120.460 122.064 -1.604 19910 5508 1 11 . 1 1 34 34 GLU HA H 34 4.099 4.099 4.770 -0.671 19910 5509 1 11 . 1 1 34 34 GLU C C 34 175.700 175.700 176.687 -0.987 19910 5510 1 11 . 1 1 34 34 GLU CA C 34 56.640 56.640 55.076 1.564 19910 5511 1 11 . 1 1 34 34 GLU CB C 34 31.340 31.340 31.713 -0.373 19910 5512 1 11 . 1 1 34 34 GLU H H 34 8.190 8.190 9.146 -0.956 19910 5513 1 11 . 1 1 35 35 GLY N N 35 117.400 117.400 114.487 2.913 19910 5514 1 11 . 1 1 35 35 GLY C C 35 173.120 173.120 175.174 -2.054 19910 5515 1 11 . 1 1 35 35 GLY CA C 35 47.680 47.680 46.051 1.629 19910 5516 1 11 . 1 1 35 35 GLY H H 35 9.240 9.240 9.148 0.092 19910 5517 1 11 . 1 1 36 36 SER N N 36 122.510 122.510 112.825 9.685 19910 5518 1 11 . 1 1 36 36 SER HA H 36 4.795 4.795 3.939 0.856 19910 5519 1 11 . 1 1 36 36 SER C C 36 172.680 172.680 173.236 -0.556 19910 5520 1 11 . 1 1 36 36 SER CA C 36 57.360 57.360 59.825 -2.465 19910 5521 1 11 . 1 1 36 36 SER CB C 36 64.500 64.500 63.327 1.173 19910 5522 1 11 . 1 1 36 36 SER H H 36 8.930 8.930 8.772 0.158 19910 5523 1 11 . 1 1 37 37 ASP N N 37 123.120 123.120 120.548 2.572 19910 5524 1 11 . 1 1 37 37 ASP HA H 37 5.192 5.192 5.001 0.191 19910 5525 1 11 . 1 1 37 37 ASP C C 37 174.170 174.170 174.580 -0.410 19910 5526 1 11 . 1 1 37 37 ASP CA C 37 54.340 54.340 53.449 0.891 19910 5527 1 11 . 1 1 37 37 ASP CB C 37 43.810 43.810 41.888 1.922 19910 5528 1 11 . 1 1 37 37 ASP H H 37 8.600 8.600 7.633 0.967 19910 5529 1 11 . 1 1 38 38 PHE N N 38 122.850 122.850 128.489 -5.639 19910 5530 1 11 . 1 1 38 38 PHE HA H 38 5.053 5.053 5.523 -0.470 19910 5531 1 11 . 1 1 38 38 PHE C C 38 172.810 172.810 173.333 -0.523 19910 5532 1 11 . 1 1 38 38 PHE CA C 38 57.000 57.000 56.545 0.455 19910 5533 1 11 . 1 1 38 38 PHE CB C 38 43.080 43.080 42.328 0.752 19910 5534 1 11 . 1 1 38 38 PHE H H 38 8.340 8.340 8.865 -0.525 19910 5535 1 11 . 1 1 39 39 LYS N N 39 126.630 126.630 128.296 -1.666 19910 5536 1 11 . 1 1 39 39 LYS HA H 39 4.816 4.816 5.022 -0.206 19910 5537 1 11 . 1 1 39 39 LYS C C 39 172.540 172.540 174.417 -1.877 19910 5538 1 11 . 1 1 39 39 LYS CA C 39 54.890 54.890 54.290 0.600 19910 5539 1 11 . 1 1 39 39 LYS CB C 39 36.790 36.790 35.410 1.380 19910 5540 1 11 . 1 1 39 39 LYS H H 39 8.690 8.690 8.903 -0.213 19910 5541 1 11 . 1 1 40 40 PHE N N 40 123.910 123.910 125.204 -1.294 19910 5542 1 11 . 1 1 40 40 PHE HA H 40 4.923 4.923 5.316 -0.393 19910 5543 1 11 . 1 1 40 40 PHE C C 40 171.900 171.900 173.117 -1.217 19910 5544 1 11 . 1 1 40 40 PHE CA C 40 55.910 55.910 55.569 0.341 19910 5545 1 11 . 1 1 40 40 PHE CB C 40 43.450 43.450 42.508 0.942 19910 5546 1 11 . 1 1 40 40 PHE H H 40 8.750 8.750 8.726 0.024 19910 5547 1 11 . 1 1 41 41 TYR N N 41 126.490 126.490 128.446 -1.956 19910 5548 1 11 . 1 1 41 41 TYR HA H 41 4.958 4.958 4.668 0.290 19910 5549 1 11 . 1 1 41 41 TYR C C 41 173.070 173.070 173.851 -0.781 19910 5550 1 11 . 1 1 41 41 TYR CA C 41 55.670 55.670 56.206 -0.536 19910 5551 1 11 . 1 1 41 41 TYR CB C 41 41.510 41.510 39.118 2.392 19910 5552 1 11 . 1 1 41 41 TYR H H 41 8.450 8.450 8.686 -0.236 19910 5553 1 11 . 1 1 42 42 ALA N N 42 129.720 129.720 126.441 3.279 19910 5554 1 11 . 1 1 42 42 ALA HA H 42 4.024 4.024 4.699 -0.675 19910 5555 1 11 . 1 1 42 42 ALA C C 42 174.350 174.350 175.502 -1.152 19910 5556 1 11 . 1 1 42 42 ALA CA C 42 51.190 51.190 50.610 0.580 19910 5557 1 11 . 1 1 42 42 ALA CB C 42 20.330 20.330 20.507 -0.177 19910 5558 1 11 . 1 1 42 42 ALA H H 42 7.970 7.970 8.309 -0.339 19910 5559 1 11 . 1 1 43 43 LYS N N 43 124.250 124.250 123.350 0.900 19910 5560 1 11 . 1 1 43 43 LYS HA H 43 3.634 3.634 3.916 -0.282 19910 5561 1 11 . 1 1 43 43 LYS CA C 43 56.260 56.260 57.020 -0.761 19910 5562 1 11 . 1 1 43 43 LYS CB C 43 32.860 32.860 29.630 3.231 19910 5563 1 11 . 1 1 43 43 LYS H H 43 7.850 7.850 8.316 -0.466 19910 5564 1 11 . 1 1 44 44 PRO HA H 44 4.487 4.487 3.883 0.604 19910 5565 1 11 . 1 1 44 44 PRO C C 44 173.980 173.980 176.063 -2.083 19910 5566 1 11 . 1 1 44 44 PRO CA C 44 64.380 64.380 64.542 -0.162 19910 5567 1 11 . 1 1 44 44 PRO CB C 44 34.010 34.010 31.558 2.452 19910 5568 1 11 . 1 1 45 45 TYR N N 45 126.840 126.840 116.295 10.545 19910 5569 1 11 . 1 1 45 45 TYR HA H 45 5.274 5.274 4.041 1.233 19910 5570 1 11 . 1 1 45 45 TYR C C 45 175.290 175.290 174.762 0.528 19910 5571 1 11 . 1 1 45 45 TYR CA C 45 58.330 58.330 56.950 1.379 19910 5572 1 11 . 1 1 45 45 TYR CB C 45 40.300 40.300 37.492 2.808 19910 5573 1 11 . 1 1 45 45 TYR H H 45 9.360 9.360 7.210 2.150 19910 5574 1 11 . 1 1 46 46 PHE N N 46 121.470 121.470 120.600 0.870 19910 5575 1 11 . 1 1 46 46 PHE HA H 46 5.422 5.422 5.443 -0.021 19910 5576 1 11 . 1 1 46 46 PHE C C 46 173.180 173.180 175.128 -1.948 19910 5577 1 11 . 1 1 46 46 PHE CA C 46 56.520 56.520 55.250 1.270 19910 5578 1 11 . 1 1 46 46 PHE CB C 46 43.930 43.930 41.612 2.318 19910 5579 1 11 . 1 1 46 46 PHE H H 46 8.870 8.870 8.162 0.708 19910 5580 1 11 . 1 1 47 47 LEU N N 47 129.700 129.700 125.712 3.988 19910 5581 1 11 . 1 1 47 47 LEU HA H 47 4.565 4.565 4.668 -0.103 19910 5582 1 11 . 1 1 47 47 LEU C C 47 171.770 171.770 175.060 -3.290 19910 5583 1 11 . 1 1 47 47 LEU CA C 47 53.130 53.130 53.976 -0.846 19910 5584 1 11 . 1 1 47 47 LEU CB C 47 47.560 47.560 44.806 2.755 19910 5585 1 11 . 1 1 47 47 LEU H H 47 8.850 8.850 9.110 -0.260 19910 5586 1 11 . 1 1 48 48 ARG N N 48 127.760 127.760 127.126 0.634 19910 5587 1 11 . 1 1 48 48 ARG HA H 48 5.283 5.283 5.072 0.211 19910 5588 1 11 . 1 1 48 48 ARG C C 48 174.090 174.090 174.976 -0.886 19910 5589 1 11 . 1 1 48 48 ARG CA C 48 54.100 54.100 54.957 -0.857 19910 5590 1 11 . 1 1 48 48 ARG CB C 48 33.160 33.160 31.525 1.635 19910 5591 1 11 . 1 1 48 48 ARG H H 48 8.620 8.620 8.571 0.049 19910 5592 1 11 . 1 1 49 49 LEU N N 49 122.890 122.890 129.760 -6.870 19910 5593 1 11 . 1 1 49 49 LEU HA H 49 4.855 4.855 4.837 0.018 19910 5594 1 11 . 1 1 49 49 LEU C C 49 175.880 175.880 175.795 0.085 19910 5595 1 11 . 1 1 49 49 LEU CA C 49 52.880 52.880 53.929 -1.049 19910 5596 1 11 . 1 1 49 49 LEU CB C 49 47.800 47.800 44.757 3.043 19910 5597 1 11 . 1 1 49 49 LEU H H 49 8.970 8.970 9.159 -0.189 19910 5598 1 11 . 1 1 50 50 THR N N 50 118.610 118.610 119.202 -0.592 19910 5599 1 11 . 1 1 50 50 THR HA H 50 4.862 4.862 4.864 -0.002 19910 5600 1 11 . 1 1 50 50 THR C C 50 174.610 174.610 174.651 -0.041 19910 5601 1 11 . 1 1 50 50 THR CA C 50 61.110 61.110 61.062 0.049 19910 5602 1 11 . 1 1 50 50 THR CB C 50 69.220 69.220 68.525 0.695 19910 5603 1 11 . 1 1 50 50 THR H H 50 8.670 8.670 8.513 0.157 19910 5604 1 11 . 1 1 51 51 LEU N N 51 126.300 126.300 126.517 -0.217 19910 5605 1 11 . 1 1 51 51 LEU HA H 51 4.302 4.302 4.435 -0.133 19910 5606 1 11 . 1 1 51 51 LEU CA C 51 52.650 52.650 52.805 -0.155 19910 5607 1 11 . 1 1 51 51 LEU CB C 51 41.950 41.950 41.652 0.298 19910 5608 1 11 . 1 1 51 51 LEU H H 51 9.540 9.540 8.685 0.855 19910 5609 1 11 . 1 1 52 52 PRO HA H 52 4.401 4.401 4.371 0.030 19910 5610 1 11 . 1 1 52 52 PRO C C 52 174.240 174.240 175.824 -1.584 19910 5611 1 11 . 1 1 52 52 PRO CA C 52 62.690 62.690 63.064 -0.374 19910 5612 1 11 . 1 1 52 52 PRO CB C 52 30.620 30.620 32.337 -1.718 19910 5613 1 11 . 1 1 53 53 GLY N N 53 105.990 105.990 107.652 -1.662 19910 5614 1 11 . 1 1 53 53 GLY C C 53 170.520 170.520 172.144 -1.624 19910 5615 1 11 . 1 1 53 53 GLY CA C 53 43.450 43.450 42.837 0.613 19910 5616 1 11 . 1 1 53 53 GLY H H 53 6.550 6.550 6.420 0.130 19910 5617 1 11 . 1 1 54 54 ARG N N 54 115.660 115.660 119.507 -3.847 19910 5618 1 11 . 1 1 54 54 ARG HA H 54 4.347 4.347 4.652 -0.305 19910 5619 1 11 . 1 1 54 54 ARG C C 54 176.940 176.940 174.961 1.979 19910 5620 1 11 . 1 1 54 54 ARG CA C 54 55.890 55.890 55.168 0.722 19910 5621 1 11 . 1 1 54 54 ARG CB C 54 32.310 32.310 33.650 -1.340 19910 5622 1 11 . 1 1 54 54 ARG H H 54 8.210 8.210 8.450 -0.240 19910 5623 1 11 . 1 1 55 55 ILE N N 55 118.910 118.910 125.180 -6.270 19910 5624 1 11 . 1 1 55 55 ILE HA H 55 5.003 5.003 4.598 0.405 19910 5625 1 11 . 1 1 55 55 ILE C C 55 175.310 175.310 175.251 0.059 19910 5626 1 11 . 1 1 55 55 ILE CA C 55 58.500 58.500 59.061 -0.561 19910 5627 1 11 . 1 1 55 55 ILE CB C 55 40.950 40.950 38.799 2.151 19910 5628 1 11 . 1 1 55 55 ILE H H 55 8.640 8.640 8.686 -0.046 19910 5629 1 11 . 1 1 56 56 VAL N N 56 118.140 118.140 125.273 -7.133 19910 5630 1 11 . 1 1 56 56 VAL HA H 56 4.438 4.438 4.045 0.393 19910 5631 1 11 . 1 1 56 56 VAL C C 56 172.920 172.920 175.090 -2.170 19910 5632 1 11 . 1 1 56 56 VAL CA C 56 60.510 60.510 62.110 -1.600 19910 5633 1 11 . 1 1 56 56 VAL CB C 56 34.850 34.850 33.236 1.614 19910 5634 1 11 . 1 1 56 56 VAL H H 56 8.330 8.330 7.815 0.515 19910 5635 1 11 . 1 1 57 57 GLU N N 57 123.300 123.300 125.545 -2.245 19910 5636 1 11 . 1 1 57 57 GLU HA H 57 4.358 4.358 4.874 -0.516 19910 5637 1 11 . 1 1 57 57 GLU C C 57 176.350 176.350 174.962 1.388 19910 5638 1 11 . 1 1 57 57 GLU CA C 57 55.890 55.890 56.002 -0.112 19910 5639 1 11 . 1 1 57 57 GLU CB C 57 29.880 29.880 31.619 -1.739 19910 5640 1 11 . 1 1 57 57 GLU H H 57 8.380 8.380 8.545 -0.165 19910 5641 1 11 . 1 1 58 58 ASN N N 58 121.570 121.570 122.301 -0.731 19910 5642 1 11 . 1 1 58 58 ASN HA H 58 4.764 4.764 4.879 -0.115 19910 5643 1 11 . 1 1 58 58 ASN C C 58 176.120 176.120 175.610 0.510 19910 5644 1 11 . 1 1 58 58 ASN CA C 58 52.760 52.760 53.747 -0.987 19910 5645 1 11 . 1 1 58 58 ASN CB C 58 38.970 38.970 40.531 -1.561 19910 5646 1 11 . 1 1 58 58 ASN H H 58 8.360 8.360 9.314 -0.954 19910 5647 1 11 . 1 1 59 59 GLY N N 59 112.050 112.050 108.641 3.409 19910 5648 1 11 . 1 1 59 59 GLY C C 59 174.840 174.840 174.569 0.271 19910 5649 1 11 . 1 1 59 59 GLY CA C 59 45.380 45.380 45.054 0.326 19910 5650 1 11 . 1 1 59 59 GLY H H 59 9.350 9.350 8.292 1.058 19910 5651 1 11 . 1 1 60 60 SER N N 60 115.430 115.430 116.592 -1.162 19910 5652 1 11 . 1 1 60 60 SER HA H 60 4.536 4.536 4.483 0.053 19910 5653 1 11 . 1 1 60 60 SER C C 60 174.140 174.140 175.110 -0.970 19910 5654 1 11 . 1 1 60 60 SER CA C 60 58.810 58.810 59.230 -0.420 19910 5655 1 11 . 1 1 60 60 SER CB C 60 64.140 64.140 63.445 0.695 19910 5656 1 11 . 1 1 60 60 SER H H 60 8.350 8.350 8.196 0.154 19910 5657 1 11 . 1 1 61 61 GLU N N 61 122.950 122.950 119.158 3.792 19910 5658 1 11 . 1 1 61 61 GLU HA H 61 4.525 4.525 4.025 0.500 19910 5659 1 11 . 1 1 61 61 GLU C C 61 175.550 175.550 176.377 -0.827 19910 5660 1 11 . 1 1 61 61 GLU CA C 61 56.520 56.520 58.146 -1.626 19910 5661 1 11 . 1 1 61 61 GLU CB C 61 29.530 29.530 29.500 0.030 19910 5662 1 11 . 1 1 61 61 GLU H H 61 8.910 8.910 8.364 0.546 19910 5663 1 11 . 1 1 62 62 GLN N N 62 120.280 120.280 118.233 2.047 19910 5664 1 11 . 1 1 62 62 GLN HA H 62 4.601 4.601 4.519 0.082 19910 5665 1 11 . 1 1 62 62 GLN C C 62 175.700 175.700 174.227 1.473 19910 5666 1 11 . 1 1 62 62 GLN CA C 62 55.430 55.430 55.418 0.012 19910 5667 1 11 . 1 1 62 62 GLN CB C 62 31.340 31.340 33.035 -1.695 19910 5668 1 11 . 1 1 62 62 GLN H H 62 8.310 8.310 8.243 0.067 19910 5669 1 11 . 1 1 63 63 GLY N N 63 111.400 111.400 110.499 0.901 19910 5670 1 11 . 1 1 63 63 GLY C C 63 172.550 172.550 173.550 -1.000 19910 5671 1 11 . 1 1 63 63 GLY CA C 63 44.690 44.690 44.584 0.106 19910 5672 1 11 . 1 1 63 63 GLY H H 63 8.880 8.880 8.582 0.298 19910 5673 1 11 . 1 1 64 64 SER N N 64 115.080 115.080 119.977 -4.897 19910 5674 1 11 . 1 1 64 64 SER HA H 64 4.629 4.629 4.804 -0.175 19910 5675 1 11 . 1 1 64 64 SER C C 64 171.770 171.770 172.998 -1.228 19910 5676 1 11 . 1 1 64 64 SER CA C 64 57.120 57.120 58.386 -1.266 19910 5677 1 11 . 1 1 64 64 SER CB C 64 65.230 65.230 65.193 0.037 19910 5678 1 11 . 1 1 64 64 SER H H 64 8.280 8.280 9.049 -0.769 19910 5679 1 11 . 1 1 65 65 TYR N N 65 124.640 124.640 128.062 -3.422 19910 5680 1 11 . 1 1 65 65 TYR HA H 65 5.198 5.198 5.433 -0.235 19910 5681 1 11 . 1 1 65 65 TYR C C 65 173.640 173.640 174.549 -0.909 19910 5682 1 11 . 1 1 65 65 TYR CA C 65 55.670 55.670 56.864 -1.194 19910 5683 1 11 . 1 1 65 65 TYR CB C 65 40.900 40.900 40.698 0.202 19910 5684 1 11 . 1 1 65 65 TYR H H 65 8.980 8.980 8.694 0.286 19910 5685 1 11 . 1 1 66 66 ASP N N 66 128.570 128.570 126.573 1.997 19910 5686 1 11 . 1 1 66 66 ASP HA H 66 4.532 4.532 4.639 -0.107 19910 5687 1 11 . 1 1 66 66 ASP C C 66 175.340 175.340 174.888 0.452 19910 5688 1 11 . 1 1 66 66 ASP CA C 66 51.800 51.800 52.561 -0.761 19910 5689 1 11 . 1 1 66 66 ASP CB C 66 41.510 41.510 43.478 -1.968 19910 5690 1 11 . 1 1 66 66 ASP H H 66 8.000 8.000 8.370 -0.370 19910 5691 1 11 . 1 1 67 67 ALA N N 67 127.520 127.520 128.656 -1.136 19910 5692 1 11 . 1 1 67 67 ALA HA H 67 3.597 3.597 4.117 -0.520 19910 5693 1 11 . 1 1 67 67 ALA C C 67 178.770 178.770 177.502 1.268 19910 5694 1 11 . 1 1 67 67 ALA CA C 67 53.850 53.850 54.507 -0.657 19910 5695 1 11 . 1 1 67 67 ALA CB C 67 18.640 18.640 19.189 -0.549 19910 5696 1 11 . 1 1 67 67 ALA H H 67 8.460 8.460 8.270 0.190 19910 5697 1 11 . 1 1 68 68 ASP N N 68 117.850 117.850 118.141 -0.291 19910 5698 1 11 . 1 1 68 68 ASP HA H 68 4.340 4.340 4.400 -0.060 19910 5699 1 11 . 1 1 68 68 ASP C C 68 177.780 177.780 177.146 0.634 19910 5700 1 11 . 1 1 68 68 ASP CA C 68 56.760 56.760 56.663 0.097 19910 5701 1 11 . 1 1 68 68 ASP CB C 68 40.900 40.900 40.533 0.367 19910 5702 1 11 . 1 1 68 68 ASP H H 68 7.980 7.980 8.445 -0.465 19910 5703 1 11 . 1 1 69 69 LYS N N 69 115.790 115.790 117.546 -1.756 19910 5704 1 11 . 1 1 69 69 LYS HA H 69 4.119 4.119 4.312 -0.193 19910 5705 1 11 . 1 1 69 69 LYS C C 69 177.130 177.130 176.620 0.510 19910 5706 1 11 . 1 1 69 69 LYS CA C 69 56.150 56.150 55.966 0.184 19910 5707 1 11 . 1 1 69 69 LYS CB C 69 34.010 34.010 32.946 1.064 19910 5708 1 11 . 1 1 69 69 LYS H H 69 7.390 7.390 7.759 -0.369 19910 5709 1 11 . 1 1 70 70 GLY N N 70 110.040 110.040 108.332 1.708 19910 5710 1 11 . 1 1 70 70 GLY C C 70 174.040 174.040 173.719 0.321 19910 5711 1 11 . 1 1 70 70 GLY CA C 70 46.830 46.830 45.641 1.189 19910 5712 1 11 . 1 1 70 70 GLY H H 70 8.030 8.030 7.689 0.341 19910 5713 1 11 . 1 1 71 71 ILE N N 71 115.810 115.810 120.272 -4.462 19910 5714 1 11 . 1 1 71 71 ILE HA H 71 4.861 4.861 4.731 0.130 19910 5715 1 11 . 1 1 71 71 ILE C C 71 175.520 175.520 174.149 1.371 19910 5716 1 11 . 1 1 71 71 ILE CA C 71 59.420 59.420 60.777 -1.357 19910 5717 1 11 . 1 1 71 71 ILE CB C 71 42.240 42.240 41.406 0.834 19910 5718 1 11 . 1 1 71 71 ILE H H 71 6.990 6.990 8.412 -1.422 19910 5719 1 11 . 1 1 72 72 PHE N N 72 132.630 132.630 130.028 2.602 19910 5720 1 11 . 1 1 72 72 PHE HA H 72 5.377 5.377 5.359 0.018 19910 5721 1 11 . 1 1 72 72 PHE C C 72 173.310 173.310 173.972 -0.662 19910 5722 1 11 . 1 1 72 72 PHE CA C 72 56.150 56.150 54.647 1.503 19910 5723 1 11 . 1 1 72 72 PHE CB C 72 41.630 41.630 40.888 0.743 19910 5724 1 11 . 1 1 72 72 PHE H H 72 9.720 9.720 9.511 0.209 19910 5725 1 11 . 1 1 73 73 THR N N 73 124.190 124.190 125.309 -1.119 19910 5726 1 11 . 1 1 73 73 THR HA H 73 5.047 5.047 5.044 0.003 19910 5727 1 11 . 1 1 73 73 THR C C 73 172.660 172.660 172.963 -0.303 19910 5728 1 11 . 1 1 73 73 THR CA C 73 61.480 61.480 60.658 0.822 19910 5729 1 11 . 1 1 73 73 THR CB C 73 69.950 69.950 70.081 -0.131 19910 5730 1 11 . 1 1 73 73 THR H H 73 8.610 8.610 9.173 -0.563 19910 5731 1 11 . 1 1 74 74 ILE N N 74 125.780 125.780 127.081 -1.301 19910 5732 1 11 . 1 1 74 74 ILE HA H 74 4.557 4.557 4.932 -0.375 19910 5733 1 11 . 1 1 74 74 ILE C C 74 171.480 171.480 173.610 -2.130 19910 5734 1 11 . 1 1 74 74 ILE CA C 74 59.060 59.060 59.039 0.021 19910 5735 1 11 . 1 1 74 74 ILE CB C 74 41.510 41.510 41.745 -0.235 19910 5736 1 11 . 1 1 74 74 ILE H H 74 8.850 8.850 8.125 0.725 19910 5737 1 11 . 1 1 75 75 ARG N N 75 127.330 127.330 127.922 -0.592 19910 5738 1 11 . 1 1 75 75 ARG HA H 75 4.859 4.859 4.404 0.455 19910 5739 1 11 . 1 1 75 75 ARG C C 75 174.790 174.790 174.584 0.206 19910 5740 1 11 . 1 1 75 75 ARG CA C 75 54.460 54.460 55.041 -0.581 19910 5741 1 11 . 1 1 75 75 ARG CB C 75 31.460 31.460 31.236 0.224 19910 5742 1 11 . 1 1 75 75 ARG H H 75 8.320 8.320 8.621 -0.301 19910 5743 1 11 . 1 1 76 76 LEU N N 76 125.120 125.120 122.418 2.702 19910 5744 1 11 . 1 1 76 76 LEU HA H 76 4.819 4.819 4.767 0.052 19910 5745 1 11 . 1 1 76 76 LEU CA C 76 50.530 50.530 51.788 -1.258 19910 5746 1 11 . 1 1 76 76 LEU CB C 76 43.070 43.070 44.233 -1.163 19910 5747 1 11 . 1 1 76 76 LEU H H 76 9.300 9.300 7.965 1.335 19910 5748 1 11 . 1 1 77 77 PRO HA H 77 4.114 4.114 4.639 -0.525 19910 5749 1 11 . 1 1 77 77 PRO C C 77 176.430 176.430 176.673 -0.243 19910 5750 1 11 . 1 1 77 77 PRO CA C 77 62.080 62.080 62.075 0.005 19910 5751 1 11 . 1 1 77 77 PRO CB C 77 31.220 31.220 32.440 -1.220 19910 5752 1 11 . 1 1 78 78 LYS N N 78 122.800 122.800 119.505 3.295 19910 5753 1 11 . 1 1 78 78 LYS HA H 78 4.062 4.062 4.628 -0.566 19910 5754 1 11 . 1 1 78 78 LYS C C 78 176.590 176.590 176.675 -0.085 19910 5755 1 11 . 1 1 78 78 LYS CA C 78 57.730 57.730 54.568 3.162 19910 5756 1 11 . 1 1 78 78 LYS CB C 78 32.800 32.800 34.491 -1.691 19910 5757 1 11 . 1 1 78 78 LYS H H 78 7.790 7.790 7.661 0.129 19910 5758 1 11 . 1 1 79 79 GLU N N 79 124.540 124.540 122.503 2.037 19910 5759 1 11 . 1 1 79 79 GLU HA H 79 3.689 3.689 4.218 -0.529 19910 5760 1 11 . 1 1 79 79 GLU C C 79 176.300 176.300 176.132 0.168 19910 5761 1 11 . 1 1 79 79 GLU CA C 79 59.420 59.420 57.661 1.759 19910 5762 1 11 . 1 1 79 79 GLU CB C 79 30.500 30.500 30.177 0.323 19910 5763 1 11 . 1 1 79 79 GLU H H 79 8.520 8.520 8.718 -0.198 19910 5764 1 11 . 1 1 80 80 THR N N 80 115.960 115.960 116.181 -0.221 19910 5765 1 11 . 1 1 80 80 THR HA H 80 4.485 4.485 4.663 -0.178 19910 5766 1 11 . 1 1 80 80 THR CA C 80 59.120 59.120 60.760 -1.640 19910 5767 1 11 . 1 1 80 80 THR CB C 80 69.330 69.330 69.726 -0.396 19910 5768 1 11 . 1 1 80 80 THR H H 80 9.070 9.070 7.810 1.260 19910 5769 1 11 . 1 1 81 81 PRO HA H 81 4.070 4.070 3.994 0.076 19910 5770 1 11 . 1 1 81 81 PRO C C 81 177.860 177.860 178.049 -0.189 19910 5771 1 11 . 1 1 81 81 PRO CA C 81 63.900 63.900 63.744 0.156 19910 5772 1 11 . 1 1 81 81 PRO CB C 81 31.460 31.460 31.988 -0.528 19910 5773 1 11 . 1 1 82 82 GLY N N 82 113.580 113.580 109.559 4.021 19910 5774 1 11 . 1 1 82 82 GLY C C 82 174.870 174.870 174.472 0.398 19910 5775 1 11 . 1 1 82 82 GLY CA C 82 45.140 45.140 44.982 0.158 19910 5776 1 11 . 1 1 82 82 GLY H H 82 9.150 9.150 8.413 0.737 19910 5777 1 11 . 1 1 83 83 GLN N N 83 122.820 122.820 120.135 2.685 19910 5778 1 11 . 1 1 83 83 GLN HA H 83 4.159 4.159 4.427 -0.268 19910 5779 1 11 . 1 1 83 83 GLN C C 83 175.180 175.180 175.193 -0.013 19910 5780 1 11 . 1 1 83 83 GLN CA C 83 56.390 56.390 55.253 1.137 19910 5781 1 11 . 1 1 83 83 GLN CB C 83 29.410 29.410 30.173 -0.763 19910 5782 1 11 . 1 1 83 83 GLN H H 83 7.960 7.960 7.454 0.506 19910 5783 1 11 . 1 1 84 84 HIS N N 84 131.340 131.340 124.745 6.595 19910 5784 1 11 . 1 1 84 84 HIS HA H 84 4.299 4.299 4.942 -0.643 19910 5785 1 11 . 1 1 84 84 HIS C C 84 175.300 175.300 173.934 1.366 19910 5786 1 11 . 1 1 84 84 HIS CA C 84 56.640 56.640 54.721 1.919 19910 5787 1 11 . 1 1 84 84 HIS CB C 84 30.980 30.980 32.224 -1.244 19910 5788 1 11 . 1 1 84 84 HIS H H 84 9.220 9.220 8.525 0.695 19910 5789 1 11 . 1 1 85 85 PHE N N 85 130.320 130.320 125.748 4.572 19910 5790 1 11 . 1 1 85 85 PHE HA H 85 4.722 4.722 4.491 0.231 19910 5791 1 11 . 1 1 85 85 PHE C C 85 174.890 174.890 175.453 -0.563 19910 5792 1 11 . 1 1 85 85 PHE CA C 85 54.580 54.580 55.238 -0.658 19910 5793 1 11 . 1 1 85 85 PHE CB C 85 36.430 36.430 37.313 -0.883 19910 5794 1 11 . 1 1 85 85 PHE H H 85 9.130 9.130 8.568 0.562 19910 5795 1 11 . 1 1 86 86 GLU N N 86 126.010 126.010 124.323 1.687 19910 5796 1 11 . 1 1 86 86 GLU HA H 86 4.199 4.199 4.400 -0.201 19910 5797 1 11 . 1 1 86 86 GLU C C 86 177.000 177.000 177.576 -0.576 19910 5798 1 11 . 1 1 86 86 GLU CA C 86 55.910 55.910 56.709 -0.799 19910 5799 1 11 . 1 1 86 86 GLU CB C 86 30.620 30.620 30.898 -0.278 19910 5800 1 11 . 1 1 86 86 GLU H H 86 8.900 8.900 7.962 0.938 19910 5801 1 11 . 1 1 87 87 GLY N N 87 108.540 108.540 108.439 0.101 19910 5802 1 11 . 1 1 87 87 GLY C C 87 177.370 177.370 175.395 1.975 19910 5803 1 11 . 1 1 87 87 GLY CA C 87 46.590 46.590 46.313 0.277 19910 5804 1 11 . 1 1 87 87 GLY H H 87 8.610 8.610 8.811 -0.201 19910 5805 1 11 . 1 1 88 88 LEU N N 88 119.830 119.830 119.685 0.145 19910 5806 1 11 . 1 1 88 88 LEU HA H 88 3.775 3.775 4.005 -0.230 19910 5807 1 11 . 1 1 88 88 LEU C C 88 177.500 177.500 177.785 -0.285 19910 5808 1 11 . 1 1 88 88 LEU CA C 88 57.850 57.850 57.599 0.251 19910 5809 1 11 . 1 1 88 88 LEU CB C 88 40.780 40.780 41.983 -1.203 19910 5810 1 11 . 1 1 88 88 LEU H H 88 8.370 8.370 7.902 0.468 19910 5811 1 11 . 1 1 89 89 ASN N N 89 112.390 112.390 114.970 -2.580 19910 5812 1 11 . 1 1 89 89 ASN HA H 89 4.524 4.524 4.624 -0.100 19910 5813 1 11 . 1 1 89 89 ASN C C 89 175.440 175.440 174.899 0.541 19910 5814 1 11 . 1 1 89 89 ASN CA C 89 54.340 54.340 54.394 -0.054 19910 5815 1 11 . 1 1 89 89 ASN CB C 89 37.030 37.030 37.696 -0.666 19910 5816 1 11 . 1 1 89 89 ASN H H 89 8.470 8.470 8.363 0.107 19910 5817 1 11 . 1 1 90 90 MET N N 90 117.460 117.460 117.529 -0.069 19910 5818 1 11 . 1 1 90 90 MET HA H 90 4.626 4.626 4.462 0.164 19910 5819 1 11 . 1 1 90 90 MET C C 90 176.040 176.040 177.133 -1.093 19910 5820 1 11 . 1 1 90 90 MET CA C 90 54.340 54.340 55.811 -1.471 19910 5821 1 11 . 1 1 90 90 MET CB C 90 32.550 32.550 34.452 -1.902 19910 5822 1 11 . 1 1 90 90 MET H H 90 7.460 7.460 7.525 -0.065 19910 5823 1 11 . 1 1 91 91 LEU N N 91 121.330 121.330 122.530 -1.200 19910 5824 1 11 . 1 1 91 91 LEU HA H 91 4.277 4.277 4.206 0.071 19910 5825 1 11 . 1 1 91 91 LEU C C 91 176.870 176.870 176.314 0.556 19910 5826 1 11 . 1 1 91 91 LEU CA C 91 56.390 56.390 56.635 -0.245 19910 5827 1 11 . 1 1 91 91 LEU CB C 91 42.480 42.480 42.501 -0.021 19910 5828 1 11 . 1 1 91 91 LEU H H 91 7.280 7.280 7.961 -0.681 19910 5829 1 11 . 1 1 92 92 THR N N 92 113.970 113.970 114.334 -0.364 19910 5830 1 11 . 1 1 92 92 THR HA H 92 4.582 4.582 4.518 0.064 19910 5831 1 11 . 1 1 92 92 THR C C 92 173.180 173.180 173.092 0.088 19910 5832 1 11 . 1 1 92 92 THR CA C 92 60.390 60.390 61.154 -0.764 19910 5833 1 11 . 1 1 92 92 THR CB C 92 71.160 71.160 70.481 0.679 19910 5834 1 11 . 1 1 92 92 THR H H 92 8.110 8.110 8.074 0.036 19910 5835 1 11 . 1 1 93 93 ALA N N 93 124.650 124.650 125.821 -1.171 19910 5836 1 11 . 1 1 93 93 ALA HA H 93 4.245 4.245 4.804 -0.559 19910 5837 1 11 . 1 1 93 93 ALA C C 93 177.650 177.650 177.946 -0.296 19910 5838 1 11 . 1 1 93 93 ALA CA C 93 52.640 52.640 51.317 1.323 19910 5839 1 11 . 1 1 93 93 ALA CB C 93 19.670 19.670 20.055 -0.385 19910 5840 1 11 . 1 1 93 93 ALA H H 93 8.430 8.430 8.269 0.161 19910 5841 1 11 . 1 1 94 94 LEU N N 94 123.150 123.150 120.201 2.949 19910 5842 1 11 . 1 1 94 94 LEU HA H 94 4.450 4.450 4.746 -0.296 19910 5843 1 11 . 1 1 94 94 LEU C C 94 177.420 177.420 176.536 0.884 19910 5844 1 11 . 1 1 94 94 LEU CA C 94 54.940 54.940 54.176 0.764 19910 5845 1 11 . 1 1 94 94 LEU CB C 94 42.480 42.480 42.903 -0.423 19910 5846 1 11 . 1 1 94 94 LEU H H 94 8.450 8.450 8.190 0.260 19910 5847 1 11 . 1 1 95 95 LEU N N 95 124.390 124.390 124.452 -0.062 19910 5848 1 11 . 1 1 95 95 LEU HA H 95 4.409 4.409 4.586 -0.177 19910 5849 1 11 . 1 1 95 95 LEU C C 95 175.990 175.990 177.008 -1.018 19910 5850 1 11 . 1 1 95 95 LEU CA C 95 55.060 55.060 55.120 -0.060 19910 5851 1 11 . 1 1 95 95 LEU CB C 95 42.360 42.360 41.893 0.467 19910 5852 1 11 . 1 1 95 95 LEU H H 95 8.380 8.380 8.522 -0.142 19910 5853 1 12 . 1 1 2 2 LEU N N 2 123.170 123.170 121.785 1.385 19910 5854 1 12 . 1 1 2 2 LEU HA H 2 4.588 4.588 4.972 -0.384 19910 5855 1 12 . 1 1 2 2 LEU C C 2 176.260 176.260 176.324 -0.064 19910 5856 1 12 . 1 1 2 2 LEU CA C 2 53.730 53.730 54.993 -1.263 19910 5857 1 12 . 1 1 2 2 LEU CB C 2 44.290 44.290 43.387 0.903 19910 5858 1 12 . 1 1 2 2 LEU H H 2 8.690 8.690 8.252 0.438 19910 5859 1 12 . 1 1 3 3 THR N N 3 120.960 120.960 119.130 1.830 19910 5860 1 12 . 1 1 3 3 THR HA H 3 5.193 5.193 4.426 0.767 19910 5861 1 12 . 1 1 3 3 THR CA C 3 59.990 59.990 61.160 -1.170 19910 5862 1 12 . 1 1 3 3 THR CB C 3 69.950 69.950 68.876 1.074 19910 5863 1 12 . 1 1 3 3 THR H H 3 8.850 8.850 8.301 0.549 19910 5864 1 12 . 1 1 4 4 PRO HA H 4 4.718 4.718 4.314 0.404 19910 5865 1 12 . 1 1 4 4 PRO C C 4 175.870 175.870 176.580 -0.710 19910 5866 1 12 . 1 1 4 4 PRO CA C 4 62.080 62.080 62.397 -0.317 19910 5867 1 12 . 1 1 4 4 PRO CB C 4 31.950 31.950 32.212 -0.262 19910 5868 1 12 . 1 1 5 5 ALA N N 5 122.560 122.560 126.811 -4.251 19910 5869 1 12 . 1 1 5 5 ALA HA H 5 4.348 4.348 4.255 0.093 19910 5870 1 12 . 1 1 5 5 ALA C C 5 176.360 176.360 176.854 -0.494 19910 5871 1 12 . 1 1 5 5 ALA CA C 5 52.280 52.280 51.159 1.121 19910 5872 1 12 . 1 1 5 5 ALA CB C 5 18.880 18.880 16.993 1.887 19910 5873 1 12 . 1 1 5 5 ALA H H 5 8.400 8.400 8.359 0.041 19910 5874 1 12 . 1 1 6 6 PHE N N 6 115.160 115.160 119.552 -4.392 19910 5875 1 12 . 1 1 6 6 PHE HA H 6 5.537 5.537 4.395 1.142 19910 5876 1 12 . 1 1 6 6 PHE C C 6 172.590 172.590 174.831 -2.241 19910 5877 1 12 . 1 1 6 6 PHE CA C 6 55.430 55.430 57.699 -2.269 19910 5878 1 12 . 1 1 6 6 PHE CB C 6 42.240 42.240 39.533 2.707 19910 5879 1 12 . 1 1 6 6 PHE H H 6 7.740 7.740 8.063 -0.323 19910 5880 1 12 . 1 1 7 7 ASP N N 7 118.960 118.960 119.956 -0.996 19910 5881 1 12 . 1 1 7 7 ASP HA H 7 4.813 4.813 4.750 0.063 19910 5882 1 12 . 1 1 7 7 ASP C C 7 174.530 174.530 174.672 -0.142 19910 5883 1 12 . 1 1 7 7 ASP CA C 7 53.370 53.370 53.723 -0.353 19910 5884 1 12 . 1 1 7 7 ASP CB C 7 45.380 45.380 45.422 -0.042 19910 5885 1 12 . 1 1 7 7 ASP H H 7 8.910 8.910 8.673 0.237 19910 5886 1 12 . 1 1 8 8 LEU N N 8 123.470 123.470 123.226 0.244 19910 5887 1 12 . 1 1 8 8 LEU HA H 8 5.284 5.284 4.657 0.627 19910 5888 1 12 . 1 1 8 8 LEU C C 8 175.420 175.420 176.086 -0.666 19910 5889 1 12 . 1 1 8 8 LEU CA C 8 53.850 53.850 53.820 0.030 19910 5890 1 12 . 1 1 8 8 LEU CB C 8 45.620 45.620 43.769 1.851 19910 5891 1 12 . 1 1 8 8 LEU H H 8 8.750 8.750 8.157 0.593 19910 5892 1 12 . 1 1 9 9 SER N N 9 115.920 115.920 117.164 -1.244 19910 5893 1 12 . 1 1 9 9 SER HA H 9 4.486 4.486 4.764 -0.278 19910 5894 1 12 . 1 1 9 9 SER C C 9 171.680 171.680 173.273 -1.593 19910 5895 1 12 . 1 1 9 9 SER CA C 9 57.000 57.000 56.831 0.169 19910 5896 1 12 . 1 1 9 9 SER CB C 9 65.590 65.590 65.878 -0.288 19910 5897 1 12 . 1 1 9 9 SER H H 9 8.860 8.860 8.788 0.072 19910 5898 1 12 . 1 1 10 10 GLN N N 10 115.230 115.230 121.640 -6.410 19910 5899 1 12 . 1 1 10 10 GLN HA H 10 5.375 5.375 4.451 0.924 19910 5900 1 12 . 1 1 10 10 GLN C C 10 172.130 172.130 173.300 -1.170 19910 5901 1 12 . 1 1 10 10 GLN CA C 10 54.270 54.270 54.515 -0.245 19910 5902 1 12 . 1 1 10 10 GLN CB C 10 32.990 32.990 30.953 2.037 19910 5903 1 12 . 1 1 10 10 GLN H H 10 8.800 8.800 8.267 0.533 19910 5904 1 12 . 1 1 11 11 ASP N N 11 124.270 124.270 123.523 0.747 19910 5905 1 12 . 1 1 11 11 ASP HA H 11 4.768 4.768 5.094 -0.326 19910 5906 1 12 . 1 1 11 11 ASP CA C 11 52.530 52.530 50.944 1.586 19910 5907 1 12 . 1 1 11 11 ASP CB C 11 42.200 42.200 42.224 -0.024 19910 5908 1 12 . 1 1 11 11 ASP H H 11 8.680 8.680 8.268 0.412 19910 5909 1 12 . 1 1 12 12 PRO HA H 12 4.050 4.050 4.519 -0.469 19910 5910 1 12 . 1 1 12 12 PRO C C 12 175.290 175.290 175.690 -0.400 19910 5911 1 12 . 1 1 12 12 PRO CA C 12 66.920 66.920 64.452 2.468 19910 5912 1 12 . 1 1 12 12 PRO CB C 12 31.950 31.950 32.083 -0.133 19910 5913 1 12 . 1 1 13 13 ASP N N 13 110.550 110.550 113.460 -2.910 19910 5914 1 12 . 1 1 13 13 ASP HA H 13 4.632 4.632 4.618 0.014 19910 5915 1 12 . 1 1 13 13 ASP C C 13 176.480 176.480 174.377 2.103 19910 5916 1 12 . 1 1 13 13 ASP CA C 13 54.940 54.940 53.654 1.286 19910 5917 1 12 . 1 1 13 13 ASP CB C 13 44.410 44.410 41.960 2.450 19910 5918 1 12 . 1 1 13 13 ASP H H 13 7.990 7.990 8.410 -0.420 19910 5919 1 12 . 1 1 14 14 PHE N N 14 118.880 118.880 116.467 2.413 19910 5920 1 12 . 1 1 14 14 PHE HA H 14 5.049 5.049 4.883 0.166 19910 5921 1 12 . 1 1 14 14 PHE C C 14 174.690 174.690 173.245 1.445 19910 5922 1 12 . 1 1 14 14 PHE CA C 14 57.600 57.600 57.341 0.259 19910 5923 1 12 . 1 1 14 14 PHE CB C 14 42.960 42.960 42.515 0.445 19910 5924 1 12 . 1 1 14 14 PHE H H 14 8.390 8.390 8.035 0.355 19910 5925 1 12 . 1 1 15 15 LEU N N 15 123.990 123.990 121.295 2.695 19910 5926 1 12 . 1 1 15 15 LEU HA H 15 4.613 4.613 4.688 -0.075 19910 5927 1 12 . 1 1 15 15 LEU C C 15 174.780 174.780 174.737 0.043 19910 5928 1 12 . 1 1 15 15 LEU CA C 15 53.250 53.250 54.586 -1.336 19910 5929 1 12 . 1 1 15 15 LEU CB C 15 45.020 45.020 44.069 0.951 19910 5930 1 12 . 1 1 15 15 LEU H H 15 9.200 9.200 8.926 0.274 19910 5931 1 12 . 1 1 16 16 THR N N 16 122.960 122.960 123.640 -0.680 19910 5932 1 12 . 1 1 16 16 THR HA H 16 4.849 4.849 4.997 -0.148 19910 5933 1 12 . 1 1 16 16 THR C C 16 172.810 172.810 173.570 -0.760 19910 5934 1 12 . 1 1 16 16 THR CA C 16 62.690 62.690 61.615 1.075 19910 5935 1 12 . 1 1 16 16 THR CB C 16 69.340 69.340 70.878 -1.538 19910 5936 1 12 . 1 1 16 16 THR H H 16 9.000 9.000 8.799 0.201 19910 5937 1 12 . 1 1 17 17 ILE N N 17 126.630 126.630 121.689 4.941 19910 5938 1 12 . 1 1 17 17 ILE HA H 17 4.439 4.439 4.258 0.181 19910 5939 1 12 . 1 1 17 17 ILE C C 17 172.580 172.580 173.381 -0.801 19910 5940 1 12 . 1 1 17 17 ILE CA C 17 60.030 60.030 59.303 0.727 19910 5941 1 12 . 1 1 17 17 ILE CB C 17 39.450 39.450 41.564 -2.114 19910 5942 1 12 . 1 1 17 17 ILE H H 17 8.680 8.680 8.112 0.568 19910 5943 1 12 . 1 1 18 18 ALA N N 18 130.190 130.190 125.497 4.693 19910 5944 1 12 . 1 1 18 18 ALA HA H 18 5.215 5.215 5.313 -0.098 19910 5945 1 12 . 1 1 18 18 ALA C C 18 176.660 176.660 175.625 1.035 19910 5946 1 12 . 1 1 18 18 ALA CA C 18 49.980 49.980 50.529 -0.548 19910 5947 1 12 . 1 1 18 18 ALA CB C 18 20.570 20.570 21.808 -1.238 19910 5948 1 12 . 1 1 18 18 ALA H H 18 8.490 8.490 8.377 0.113 19910 5949 1 12 . 1 1 19 19 ILE N N 19 124.920 124.920 123.160 1.760 19910 5950 1 12 . 1 1 19 19 ILE HA H 19 4.307 4.307 4.502 -0.195 19910 5951 1 12 . 1 1 19 19 ILE C C 19 174.710 174.710 174.792 -0.082 19910 5952 1 12 . 1 1 19 19 ILE CA C 19 60.990 60.990 60.125 0.865 19910 5953 1 12 . 1 1 19 19 ILE CB C 19 40.900 40.900 40.871 0.029 19910 5954 1 12 . 1 1 19 19 ILE H H 19 9.590 9.590 8.464 1.126 19910 5955 1 12 . 1 1 20 20 ARG N N 20 128.960 128.960 128.323 0.637 19910 5956 1 12 . 1 1 20 20 ARG HA H 20 4.642 4.642 4.904 -0.262 19910 5957 1 12 . 1 1 20 20 ARG C C 20 174.890 174.890 175.049 -0.159 19910 5958 1 12 . 1 1 20 20 ARG CA C 20 56.030 56.030 55.595 0.435 19910 5959 1 12 . 1 1 20 20 ARG CB C 20 29.530 29.530 31.172 -1.642 19910 5960 1 12 . 1 1 20 20 ARG H H 20 8.600 8.600 8.599 0.001 19910 5961 1 12 . 1 1 21 21 VAL N N 21 120.400 120.400 121.059 -0.659 19910 5962 1 12 . 1 1 21 21 VAL HA H 21 4.010 4.010 4.418 -0.408 19910 5963 1 12 . 1 1 21 21 VAL C C 21 174.950 174.950 174.857 0.093 19910 5964 1 12 . 1 1 21 21 VAL CA C 21 59.420 59.420 59.939 -0.519 19910 5965 1 12 . 1 1 21 21 VAL CB C 21 33.280 33.280 34.907 -1.627 19910 5966 1 12 . 1 1 21 21 VAL H H 21 8.020 8.020 7.731 0.289 19910 5967 1 12 . 1 1 22 22 SER N N 22 118.050 118.050 119.899 -1.849 19910 5968 1 12 . 1 1 22 22 SER HA H 22 4.540 4.540 4.714 -0.174 19910 5969 1 12 . 1 1 22 22 SER C C 22 174.110 174.110 175.382 -1.272 19910 5970 1 12 . 1 1 22 22 SER CA C 22 59.540 59.540 58.339 1.201 19910 5971 1 12 . 1 1 22 22 SER CB C 22 63.600 63.600 64.318 -0.718 19910 5972 1 12 . 1 1 22 22 SER H H 22 7.770 7.770 8.468 -0.698 19910 5973 1 12 . 1 1 23 23 TYR N N 23 120.870 120.870 121.607 -0.737 19910 5974 1 12 . 1 1 23 23 TYR HA H 23 4.493 4.493 4.478 0.015 19910 5975 1 12 . 1 1 23 23 TYR C C 23 175.310 175.310 175.698 -0.388 19910 5976 1 12 . 1 1 23 23 TYR CA C 23 58.210 58.210 56.801 1.409 19910 5977 1 12 . 1 1 23 23 TYR CB C 23 37.880 37.880 37.886 -0.006 19910 5978 1 12 . 1 1 23 23 TYR H H 23 8.300 8.300 8.069 0.231 19910 5979 1 12 . 1 1 24 24 ALA N N 24 122.670 122.670 120.758 1.912 19910 5980 1 12 . 1 1 24 24 ALA HA H 24 4.303 4.303 3.873 0.430 19910 5981 1 12 . 1 1 24 24 ALA C C 24 177.160 177.160 177.789 -0.629 19910 5982 1 12 . 1 1 24 24 ALA CA C 24 52.520 52.520 53.108 -0.588 19910 5983 1 12 . 1 1 24 24 ALA CB C 24 19.730 19.730 18.662 1.069 19910 5984 1 12 . 1 1 24 24 ALA H H 24 7.910 7.910 7.882 0.028 19910 5985 1 12 . 1 1 25 25 ARG N N 25 119.060 119.060 125.459 -6.399 19910 5986 1 12 . 1 1 25 25 ARG HA H 25 4.346 4.346 4.304 0.042 19910 5987 1 12 . 1 1 25 25 ARG C C 25 175.830 175.830 177.000 -1.170 19910 5988 1 12 . 1 1 25 25 ARG CA C 25 55.550 55.550 57.520 -1.970 19910 5989 1 12 . 1 1 25 25 ARG CB C 25 30.500 30.500 31.301 -0.801 19910 5990 1 12 . 1 1 25 25 ARG H H 25 8.220 8.220 8.097 0.123 19910 5991 1 12 . 1 1 26 26 VAL N N 26 118.660 118.660 118.048 0.612 19910 5992 1 12 . 1 1 26 26 VAL HA H 26 3.454 3.454 4.065 -0.611 19910 5993 1 12 . 1 1 26 26 VAL C C 26 175.700 175.700 176.322 -0.622 19910 5994 1 12 . 1 1 26 26 VAL CA C 26 61.960 61.960 62.513 -0.553 19910 5995 1 12 . 1 1 26 26 VAL CB C 26 32.800 32.800 32.697 0.103 19910 5996 1 12 . 1 1 26 26 VAL H H 26 7.650 7.650 7.961 -0.311 19910 5997 1 12 . 1 1 27 27 SER N N 27 116.090 116.090 118.239 -2.149 19910 5998 1 12 . 1 1 27 27 SER HA H 27 4.183 4.183 4.319 -0.136 19910 5999 1 12 . 1 1 27 27 SER C C 27 173.750 173.750 174.841 -1.091 19910 6000 1 12 . 1 1 27 27 SER CA C 27 58.570 58.570 60.446 -1.876 19910 6001 1 12 . 1 1 27 27 SER CB C 27 63.530 63.530 63.375 0.155 19910 6002 1 12 . 1 1 27 27 SER H H 27 8.180 8.180 8.541 -0.361 19910 6003 1 12 . 1 1 28 28 GLU N N 28 120.070 120.070 120.176 -0.106 19910 6004 1 12 . 1 1 28 28 GLU HA H 28 4.203 4.203 4.088 0.115 19910 6005 1 12 . 1 1 28 28 GLU C C 28 174.790 174.790 175.331 -0.541 19910 6006 1 12 . 1 1 28 28 GLU CA C 28 55.550 55.550 55.257 0.293 19910 6007 1 12 . 1 1 28 28 GLU CB C 28 30.620 30.620 30.691 -0.071 19910 6008 1 12 . 1 1 28 28 GLU H H 28 7.400 7.400 7.848 -0.448 19910 6009 1 12 . 1 1 29 29 PHE N N 29 120.340 120.340 121.495 -1.155 19910 6010 1 12 . 1 1 29 29 PHE HA H 29 4.487 4.487 4.574 -0.087 19910 6011 1 12 . 1 1 29 29 PHE C C 29 174.580 174.580 175.768 -1.188 19910 6012 1 12 . 1 1 29 29 PHE CA C 29 55.790 55.790 55.135 0.655 19910 6013 1 12 . 1 1 29 29 PHE CB C 29 39.690 39.690 39.962 -0.272 19910 6014 1 12 . 1 1 29 29 PHE H H 29 7.820 7.820 7.927 -0.107 19910 6015 1 12 . 1 1 30 30 ASP N N 30 123.670 123.670 122.184 1.486 19910 6016 1 12 . 1 1 30 30 ASP HA H 30 4.817 4.817 4.758 0.059 19910 6017 1 12 . 1 1 30 30 ASP C C 30 174.040 174.040 174.394 -0.354 19910 6018 1 12 . 1 1 30 30 ASP CA C 30 53.850 53.850 53.754 0.096 19910 6019 1 12 . 1 1 30 30 ASP CB C 30 43.450 43.450 42.643 0.807 19910 6020 1 12 . 1 1 30 30 ASP H H 30 8.420 8.420 8.831 -0.411 19910 6021 1 12 . 1 1 31 31 VAL N N 31 123.010 123.010 122.447 0.563 19910 6022 1 12 . 1 1 31 31 VAL HA H 31 4.768 4.768 5.127 -0.359 19910 6023 1 12 . 1 1 31 31 VAL C C 31 173.980 173.980 175.352 -1.372 19910 6024 1 12 . 1 1 31 31 VAL CA C 31 60.510 60.510 60.044 0.466 19910 6025 1 12 . 1 1 31 31 VAL CB C 31 34.730 34.730 32.881 1.849 19910 6026 1 12 . 1 1 31 31 VAL H H 31 8.270 8.270 8.442 -0.172 19910 6027 1 12 . 1 1 32 32 TYR N N 32 127.340 127.340 127.487 -0.147 19910 6028 1 12 . 1 1 32 32 TYR HA H 32 4.624 4.624 4.766 -0.142 19910 6029 1 12 . 1 1 32 32 TYR C C 32 172.990 172.990 174.413 -1.423 19910 6030 1 12 . 1 1 32 32 TYR CA C 32 56.520 56.520 56.269 0.251 19910 6031 1 12 . 1 1 32 32 TYR CB C 32 41.870 41.870 39.900 1.970 19910 6032 1 12 . 1 1 32 32 TYR H H 32 8.920 8.920 8.708 0.212 19910 6033 1 12 . 1 1 33 33 PHE N N 33 121.160 121.160 120.674 0.486 19910 6034 1 12 . 1 1 33 33 PHE HA H 33 5.106 5.106 5.949 -0.843 19910 6035 1 12 . 1 1 33 33 PHE C C 33 173.100 173.100 174.808 -1.708 19910 6036 1 12 . 1 1 33 33 PHE CA C 33 55.310 55.310 55.427 -0.117 19910 6037 1 12 . 1 1 33 33 PHE CB C 33 40.420 40.420 42.073 -1.653 19910 6038 1 12 . 1 1 33 33 PHE H H 33 7.510 7.510 8.342 -0.832 19910 6039 1 12 . 1 1 34 34 GLU N N 34 120.460 120.460 123.376 -2.916 19910 6040 1 12 . 1 1 34 34 GLU HA H 34 4.099 4.099 4.959 -0.860 19910 6041 1 12 . 1 1 34 34 GLU C C 34 175.700 175.700 176.750 -1.050 19910 6042 1 12 . 1 1 34 34 GLU CA C 34 56.640 56.640 55.201 1.439 19910 6043 1 12 . 1 1 34 34 GLU CB C 34 31.340 31.340 30.776 0.564 19910 6044 1 12 . 1 1 34 34 GLU H H 34 8.190 8.190 8.453 -0.263 19910 6045 1 12 . 1 1 35 35 GLY N N 35 117.400 117.400 116.403 0.997 19910 6046 1 12 . 1 1 35 35 GLY C C 35 173.120 173.120 174.832 -1.712 19910 6047 1 12 . 1 1 35 35 GLY CA C 35 47.680 47.680 47.353 0.327 19910 6048 1 12 . 1 1 35 35 GLY H H 35 9.240 9.240 8.761 0.479 19910 6049 1 12 . 1 1 36 36 SER N N 36 122.510 122.510 116.885 5.625 19910 6050 1 12 . 1 1 36 36 SER HA H 36 4.795 4.795 4.739 0.056 19910 6051 1 12 . 1 1 36 36 SER C C 36 172.680 172.680 172.463 0.217 19910 6052 1 12 . 1 1 36 36 SER CA C 36 57.360 57.360 58.020 -0.660 19910 6053 1 12 . 1 1 36 36 SER CB C 36 64.500 64.500 65.273 -0.773 19910 6054 1 12 . 1 1 36 36 SER H H 36 8.930 8.930 8.531 0.399 19910 6055 1 12 . 1 1 37 37 ASP N N 37 123.120 123.120 123.468 -0.348 19910 6056 1 12 . 1 1 37 37 ASP HA H 37 5.192 5.192 5.094 0.098 19910 6057 1 12 . 1 1 37 37 ASP C C 37 174.170 174.170 174.126 0.044 19910 6058 1 12 . 1 1 37 37 ASP CA C 37 54.340 54.340 53.976 0.364 19910 6059 1 12 . 1 1 37 37 ASP CB C 37 43.810 43.810 43.260 0.550 19910 6060 1 12 . 1 1 37 37 ASP H H 37 8.600 8.600 7.967 0.633 19910 6061 1 12 . 1 1 38 38 PHE N N 38 122.850 122.850 128.812 -5.962 19910 6062 1 12 . 1 1 38 38 PHE HA H 38 5.053 5.053 5.691 -0.638 19910 6063 1 12 . 1 1 38 38 PHE C C 38 172.810 172.810 173.450 -0.640 19910 6064 1 12 . 1 1 38 38 PHE CA C 38 57.000 57.000 56.492 0.508 19910 6065 1 12 . 1 1 38 38 PHE CB C 38 43.080 43.080 42.415 0.665 19910 6066 1 12 . 1 1 38 38 PHE H H 38 8.340 8.340 8.883 -0.543 19910 6067 1 12 . 1 1 39 39 LYS N N 39 126.630 126.630 127.855 -1.225 19910 6068 1 12 . 1 1 39 39 LYS HA H 39 4.816 4.816 5.276 -0.460 19910 6069 1 12 . 1 1 39 39 LYS C C 39 172.540 172.540 174.641 -2.101 19910 6070 1 12 . 1 1 39 39 LYS CA C 39 54.890 54.890 54.016 0.874 19910 6071 1 12 . 1 1 39 39 LYS CB C 39 36.790 36.790 35.829 0.961 19910 6072 1 12 . 1 1 39 39 LYS H H 39 8.690 8.690 8.635 0.055 19910 6073 1 12 . 1 1 40 40 PHE N N 40 123.910 123.910 125.710 -1.800 19910 6074 1 12 . 1 1 40 40 PHE HA H 40 4.923 4.923 5.127 -0.204 19910 6075 1 12 . 1 1 40 40 PHE C C 40 171.900 171.900 173.244 -1.344 19910 6076 1 12 . 1 1 40 40 PHE CA C 40 55.910 55.910 55.513 0.397 19910 6077 1 12 . 1 1 40 40 PHE CB C 40 43.450 43.450 41.936 1.514 19910 6078 1 12 . 1 1 40 40 PHE H H 40 8.750 8.750 8.842 -0.092 19910 6079 1 12 . 1 1 41 41 TYR N N 41 126.490 126.490 127.087 -0.597 19910 6080 1 12 . 1 1 41 41 TYR HA H 41 4.958 4.958 5.045 -0.087 19910 6081 1 12 . 1 1 41 41 TYR C C 41 173.070 173.070 174.200 -1.130 19910 6082 1 12 . 1 1 41 41 TYR CA C 41 55.670 55.670 56.269 -0.599 19910 6083 1 12 . 1 1 41 41 TYR CB C 41 41.510 41.510 40.299 1.211 19910 6084 1 12 . 1 1 41 41 TYR H H 41 8.450 8.450 9.139 -0.689 19910 6085 1 12 . 1 1 42 42 ALA N N 42 129.720 129.720 125.856 3.864 19910 6086 1 12 . 1 1 42 42 ALA HA H 42 4.024 4.024 4.627 -0.603 19910 6087 1 12 . 1 1 42 42 ALA C C 42 174.350 174.350 176.110 -1.760 19910 6088 1 12 . 1 1 42 42 ALA CA C 42 51.190 51.190 50.483 0.707 19910 6089 1 12 . 1 1 42 42 ALA CB C 42 20.330 20.330 19.075 1.255 19910 6090 1 12 . 1 1 42 42 ALA H H 42 7.970 7.970 8.574 -0.604 19910 6091 1 12 . 1 1 43 43 LYS N N 43 124.250 124.250 119.091 5.159 19910 6092 1 12 . 1 1 43 43 LYS HA H 43 3.634 3.634 4.034 -0.400 19910 6093 1 12 . 1 1 43 43 LYS CA C 43 56.260 56.260 58.142 -1.882 19910 6094 1 12 . 1 1 43 43 LYS CB C 43 32.860 32.860 29.572 3.288 19910 6095 1 12 . 1 1 43 43 LYS H H 43 7.850 7.850 8.280 -0.430 19910 6096 1 12 . 1 1 44 44 PRO HA H 44 4.487 4.487 4.487 0.000 19910 6097 1 12 . 1 1 44 44 PRO C C 44 173.980 173.980 175.734 -1.754 19910 6098 1 12 . 1 1 44 44 PRO CA C 44 64.380 64.380 63.819 0.561 19910 6099 1 12 . 1 1 44 44 PRO CB C 44 34.010 34.010 32.173 1.837 19910 6100 1 12 . 1 1 45 45 TYR N N 45 126.840 126.840 119.638 7.202 19910 6101 1 12 . 1 1 45 45 TYR HA H 45 5.274 5.274 4.651 0.623 19910 6102 1 12 . 1 1 45 45 TYR C C 45 175.290 175.290 173.891 1.399 19910 6103 1 12 . 1 1 45 45 TYR CA C 45 58.330 58.330 55.329 3.001 19910 6104 1 12 . 1 1 45 45 TYR CB C 45 40.300 40.300 38.583 1.717 19910 6105 1 12 . 1 1 45 45 TYR H H 45 9.360 9.360 7.433 1.927 19910 6106 1 12 . 1 1 46 46 PHE N N 46 121.470 121.470 125.919 -4.449 19910 6107 1 12 . 1 1 46 46 PHE HA H 46 5.422 5.422 5.280 0.142 19910 6108 1 12 . 1 1 46 46 PHE C C 46 173.180 173.180 173.641 -0.461 19910 6109 1 12 . 1 1 46 46 PHE CA C 46 56.520 56.520 55.355 1.165 19910 6110 1 12 . 1 1 46 46 PHE CB C 46 43.930 43.930 41.443 2.487 19910 6111 1 12 . 1 1 46 46 PHE H H 46 8.870 8.870 8.765 0.105 19910 6112 1 12 . 1 1 47 47 LEU N N 47 129.700 129.700 129.975 -0.275 19910 6113 1 12 . 1 1 47 47 LEU HA H 47 4.565 4.565 4.204 0.361 19910 6114 1 12 . 1 1 47 47 LEU C C 47 171.770 171.770 174.349 -2.579 19910 6115 1 12 . 1 1 47 47 LEU CA C 47 53.130 53.130 53.590 -0.460 19910 6116 1 12 . 1 1 47 47 LEU CB C 47 47.560 47.560 45.312 2.248 19910 6117 1 12 . 1 1 47 47 LEU H H 47 8.850 8.850 8.746 0.104 19910 6118 1 12 . 1 1 48 48 ARG N N 48 127.760 127.760 126.977 0.783 19910 6119 1 12 . 1 1 48 48 ARG HA H 48 5.283 5.283 5.117 0.166 19910 6120 1 12 . 1 1 48 48 ARG C C 48 174.090 174.090 174.632 -0.542 19910 6121 1 12 . 1 1 48 48 ARG CA C 48 54.100 54.100 54.764 -0.664 19910 6122 1 12 . 1 1 48 48 ARG CB C 48 33.160 33.160 31.252 1.908 19910 6123 1 12 . 1 1 48 48 ARG H H 48 8.620 8.620 8.136 0.484 19910 6124 1 12 . 1 1 49 49 LEU N N 49 122.890 122.890 129.443 -6.553 19910 6125 1 12 . 1 1 49 49 LEU HA H 49 4.855 4.855 4.756 0.099 19910 6126 1 12 . 1 1 49 49 LEU C C 49 175.880 175.880 175.885 -0.005 19910 6127 1 12 . 1 1 49 49 LEU CA C 49 52.880 52.880 53.883 -1.003 19910 6128 1 12 . 1 1 49 49 LEU CB C 49 47.800 47.800 45.276 2.524 19910 6129 1 12 . 1 1 49 49 LEU H H 49 8.970 8.970 9.262 -0.292 19910 6130 1 12 . 1 1 50 50 THR N N 50 118.610 118.610 120.436 -1.826 19910 6131 1 12 . 1 1 50 50 THR HA H 50 4.862 4.862 4.701 0.161 19910 6132 1 12 . 1 1 50 50 THR C C 50 174.610 174.610 174.660 -0.050 19910 6133 1 12 . 1 1 50 50 THR CA C 50 61.110 61.110 61.958 -0.848 19910 6134 1 12 . 1 1 50 50 THR CB C 50 69.220 69.220 68.449 0.771 19910 6135 1 12 . 1 1 50 50 THR H H 50 8.670 8.670 8.550 0.120 19910 6136 1 12 . 1 1 51 51 LEU N N 51 126.300 126.300 127.923 -1.623 19910 6137 1 12 . 1 1 51 51 LEU HA H 51 4.302 4.302 4.589 -0.287 19910 6138 1 12 . 1 1 51 51 LEU CA C 51 52.650 52.650 52.353 0.297 19910 6139 1 12 . 1 1 51 51 LEU CB C 51 41.950 41.950 41.495 0.455 19910 6140 1 12 . 1 1 51 51 LEU H H 51 9.540 9.540 8.080 1.460 19910 6141 1 12 . 1 1 52 52 PRO HA H 52 4.401 4.401 4.183 0.218 19910 6142 1 12 . 1 1 52 52 PRO C C 52 174.240 174.240 175.029 -0.789 19910 6143 1 12 . 1 1 52 52 PRO CA C 52 62.690 62.690 62.396 0.294 19910 6144 1 12 . 1 1 52 52 PRO CB C 52 30.620 30.620 30.329 0.291 19910 6145 1 12 . 1 1 53 53 GLY N N 53 105.990 105.990 111.514 -5.524 19910 6146 1 12 . 1 1 53 53 GLY C C 53 170.520 170.520 172.532 -2.012 19910 6147 1 12 . 1 1 53 53 GLY CA C 53 43.450 43.450 44.590 -1.141 19910 6148 1 12 . 1 1 53 53 GLY H H 53 6.550 6.550 7.741 -1.191 19910 6149 1 12 . 1 1 54 54 ARG N N 54 115.660 115.660 119.992 -4.332 19910 6150 1 12 . 1 1 54 54 ARG HA H 54 4.347 4.347 5.344 -0.997 19910 6151 1 12 . 1 1 54 54 ARG C C 54 176.940 176.940 174.995 1.945 19910 6152 1 12 . 1 1 54 54 ARG CA C 54 55.890 55.890 54.514 1.376 19910 6153 1 12 . 1 1 54 54 ARG CB C 54 32.310 32.310 33.420 -1.110 19910 6154 1 12 . 1 1 54 54 ARG H H 54 8.210 8.210 8.682 -0.472 19910 6155 1 12 . 1 1 55 55 ILE N N 55 118.910 118.910 124.073 -5.163 19910 6156 1 12 . 1 1 55 55 ILE HA H 55 5.003 5.003 4.584 0.419 19910 6157 1 12 . 1 1 55 55 ILE C C 55 175.310 175.310 174.980 0.330 19910 6158 1 12 . 1 1 55 55 ILE CA C 55 58.500 58.500 58.904 -0.404 19910 6159 1 12 . 1 1 55 55 ILE CB C 55 40.950 40.950 39.871 1.079 19910 6160 1 12 . 1 1 55 55 ILE H H 55 8.640 8.640 9.017 -0.377 19910 6161 1 12 . 1 1 56 56 VAL N N 56 118.140 118.140 126.583 -8.443 19910 6162 1 12 . 1 1 56 56 VAL HA H 56 4.438 4.438 4.009 0.429 19910 6163 1 12 . 1 1 56 56 VAL C C 56 172.920 172.920 175.277 -2.357 19910 6164 1 12 . 1 1 56 56 VAL CA C 56 60.510 60.510 63.057 -2.547 19910 6165 1 12 . 1 1 56 56 VAL CB C 56 34.850 34.850 32.907 1.942 19910 6166 1 12 . 1 1 56 56 VAL H H 56 8.330 8.330 7.895 0.435 19910 6167 1 12 . 1 1 57 57 GLU N N 57 123.300 123.300 124.929 -1.629 19910 6168 1 12 . 1 1 57 57 GLU HA H 57 4.358 4.358 4.878 -0.520 19910 6169 1 12 . 1 1 57 57 GLU C C 57 176.350 176.350 175.616 0.734 19910 6170 1 12 . 1 1 57 57 GLU CA C 57 55.890 55.890 56.101 -0.211 19910 6171 1 12 . 1 1 57 57 GLU CB C 57 29.880 29.880 31.270 -1.390 19910 6172 1 12 . 1 1 57 57 GLU H H 57 8.380 8.380 8.517 -0.137 19910 6173 1 12 . 1 1 58 58 ASN N N 58 121.570 121.570 121.537 0.033 19910 6174 1 12 . 1 1 58 58 ASN HA H 58 4.764 4.764 4.964 -0.200 19910 6175 1 12 . 1 1 58 58 ASN C C 58 176.120 176.120 175.699 0.421 19910 6176 1 12 . 1 1 58 58 ASN CA C 58 52.760 52.760 53.827 -1.067 19910 6177 1 12 . 1 1 58 58 ASN CB C 58 38.970 38.970 39.963 -0.993 19910 6178 1 12 . 1 1 58 58 ASN H H 58 8.360 8.360 9.260 -0.900 19910 6179 1 12 . 1 1 59 59 GLY N N 59 112.050 112.050 108.384 3.666 19910 6180 1 12 . 1 1 59 59 GLY C C 59 174.840 174.840 174.409 0.431 19910 6181 1 12 . 1 1 59 59 GLY CA C 59 45.380 45.380 45.002 0.378 19910 6182 1 12 . 1 1 59 59 GLY H H 59 9.350 9.350 8.326 1.024 19910 6183 1 12 . 1 1 60 60 SER N N 60 115.430 115.430 116.319 -0.889 19910 6184 1 12 . 1 1 60 60 SER HA H 60 4.536 4.536 4.682 -0.146 19910 6185 1 12 . 1 1 60 60 SER C C 60 174.140 174.140 174.842 -0.702 19910 6186 1 12 . 1 1 60 60 SER CA C 60 58.810 58.810 57.592 1.218 19910 6187 1 12 . 1 1 60 60 SER CB C 60 64.140 64.140 63.277 0.863 19910 6188 1 12 . 1 1 60 60 SER H H 60 8.350 8.350 8.270 0.080 19910 6189 1 12 . 1 1 61 61 GLU N N 61 122.950 122.950 120.546 2.404 19910 6190 1 12 . 1 1 61 61 GLU HA H 61 4.525 4.525 4.423 0.102 19910 6191 1 12 . 1 1 61 61 GLU C C 61 175.550 175.550 175.495 0.055 19910 6192 1 12 . 1 1 61 61 GLU CA C 61 56.520 56.520 56.010 0.510 19910 6193 1 12 . 1 1 61 61 GLU CB C 61 29.530 29.530 30.246 -0.716 19910 6194 1 12 . 1 1 61 61 GLU H H 61 8.910 8.910 7.805 1.105 19910 6195 1 12 . 1 1 62 62 GLN N N 62 120.280 120.280 118.017 2.263 19910 6196 1 12 . 1 1 62 62 GLN HA H 62 4.601 4.601 4.566 0.035 19910 6197 1 12 . 1 1 62 62 GLN C C 62 175.700 175.700 174.426 1.274 19910 6198 1 12 . 1 1 62 62 GLN CA C 62 55.430 55.430 55.072 0.358 19910 6199 1 12 . 1 1 62 62 GLN CB C 62 31.340 31.340 32.547 -1.206 19910 6200 1 12 . 1 1 62 62 GLN H H 62 8.310 8.310 8.097 0.213 19910 6201 1 12 . 1 1 63 63 GLY N N 63 111.400 111.400 109.547 1.853 19910 6202 1 12 . 1 1 63 63 GLY C C 63 172.550 172.550 173.060 -0.510 19910 6203 1 12 . 1 1 63 63 GLY CA C 63 44.690 44.690 44.849 -0.159 19910 6204 1 12 . 1 1 63 63 GLY H H 63 8.880 8.880 8.343 0.537 19910 6205 1 12 . 1 1 64 64 SER N N 64 115.080 115.080 115.474 -0.394 19910 6206 1 12 . 1 1 64 64 SER HA H 64 4.629 4.629 4.633 -0.004 19910 6207 1 12 . 1 1 64 64 SER C C 64 171.770 171.770 171.995 -0.225 19910 6208 1 12 . 1 1 64 64 SER CA C 64 57.120 57.120 57.944 -0.824 19910 6209 1 12 . 1 1 64 64 SER CB C 64 65.230 65.230 65.085 0.145 19910 6210 1 12 . 1 1 64 64 SER H H 64 8.280 8.280 9.028 -0.748 19910 6211 1 12 . 1 1 65 65 TYR N N 65 124.640 124.640 127.240 -2.600 19910 6212 1 12 . 1 1 65 65 TYR HA H 65 5.198 5.198 5.477 -0.279 19910 6213 1 12 . 1 1 65 65 TYR C C 65 173.640 173.640 174.538 -0.898 19910 6214 1 12 . 1 1 65 65 TYR CA C 65 55.670 55.670 56.767 -1.097 19910 6215 1 12 . 1 1 65 65 TYR CB C 65 40.900 40.900 41.074 -0.174 19910 6216 1 12 . 1 1 65 65 TYR H H 65 8.980 8.980 8.563 0.417 19910 6217 1 12 . 1 1 66 66 ASP N N 66 128.570 128.570 127.244 1.326 19910 6218 1 12 . 1 1 66 66 ASP HA H 66 4.532 4.532 4.675 -0.143 19910 6219 1 12 . 1 1 66 66 ASP C C 66 175.340 175.340 175.065 0.275 19910 6220 1 12 . 1 1 66 66 ASP CA C 66 51.800 51.800 52.567 -0.767 19910 6221 1 12 . 1 1 66 66 ASP CB C 66 41.510 41.510 43.763 -2.253 19910 6222 1 12 . 1 1 66 66 ASP H H 66 8.000 8.000 8.402 -0.402 19910 6223 1 12 . 1 1 67 67 ALA N N 67 127.520 127.520 128.099 -0.579 19910 6224 1 12 . 1 1 67 67 ALA HA H 67 3.597 3.597 4.132 -0.535 19910 6225 1 12 . 1 1 67 67 ALA C C 67 178.770 178.770 177.978 0.792 19910 6226 1 12 . 1 1 67 67 ALA CA C 67 53.850 53.850 53.959 -0.110 19910 6227 1 12 . 1 1 67 67 ALA CB C 67 18.640 18.640 18.724 -0.085 19910 6228 1 12 . 1 1 67 67 ALA H H 67 8.460 8.460 8.294 0.166 19910 6229 1 12 . 1 1 68 68 ASP N N 68 117.850 117.850 119.344 -1.494 19910 6230 1 12 . 1 1 68 68 ASP HA H 68 4.340 4.340 4.404 -0.064 19910 6231 1 12 . 1 1 68 68 ASP C C 68 177.780 177.780 177.195 0.585 19910 6232 1 12 . 1 1 68 68 ASP CA C 68 56.760 56.760 56.308 0.452 19910 6233 1 12 . 1 1 68 68 ASP CB C 68 40.900 40.900 40.490 0.410 19910 6234 1 12 . 1 1 68 68 ASP H H 68 7.980 7.980 8.555 -0.575 19910 6235 1 12 . 1 1 69 69 LYS N N 69 115.790 115.790 116.466 -0.676 19910 6236 1 12 . 1 1 69 69 LYS HA H 69 4.119 4.119 4.543 -0.424 19910 6237 1 12 . 1 1 69 69 LYS C C 69 177.130 177.130 176.779 0.351 19910 6238 1 12 . 1 1 69 69 LYS CA C 69 56.150 56.150 56.251 -0.100 19910 6239 1 12 . 1 1 69 69 LYS CB C 69 34.010 34.010 32.948 1.062 19910 6240 1 12 . 1 1 69 69 LYS H H 69 7.390 7.390 7.992 -0.602 19910 6241 1 12 . 1 1 70 70 GLY N N 70 110.040 110.040 110.695 -0.655 19910 6242 1 12 . 1 1 70 70 GLY C C 70 174.040 174.040 173.571 0.469 19910 6243 1 12 . 1 1 70 70 GLY CA C 70 46.830 46.830 45.775 1.055 19910 6244 1 12 . 1 1 70 70 GLY H H 70 8.030 8.030 7.829 0.201 19910 6245 1 12 . 1 1 71 71 ILE N N 71 115.810 115.810 119.435 -3.625 19910 6246 1 12 . 1 1 71 71 ILE HA H 71 4.861 4.861 4.741 0.120 19910 6247 1 12 . 1 1 71 71 ILE C C 71 175.520 175.520 174.359 1.161 19910 6248 1 12 . 1 1 71 71 ILE CA C 71 59.420 59.420 60.321 -0.901 19910 6249 1 12 . 1 1 71 71 ILE CB C 71 42.240 42.240 40.840 1.400 19910 6250 1 12 . 1 1 71 71 ILE H H 71 6.990 6.990 8.187 -1.197 19910 6251 1 12 . 1 1 72 72 PHE N N 72 132.630 132.630 129.904 2.726 19910 6252 1 12 . 1 1 72 72 PHE HA H 72 5.377 5.377 5.725 -0.348 19910 6253 1 12 . 1 1 72 72 PHE C C 72 173.310 173.310 173.807 -0.497 19910 6254 1 12 . 1 1 72 72 PHE CA C 72 56.150 56.150 54.577 1.573 19910 6255 1 12 . 1 1 72 72 PHE CB C 72 41.630 41.630 41.959 -0.329 19910 6256 1 12 . 1 1 72 72 PHE H H 72 9.720 9.720 9.244 0.476 19910 6257 1 12 . 1 1 73 73 THR N N 73 124.190 124.190 126.109 -1.919 19910 6258 1 12 . 1 1 73 73 THR HA H 73 5.047 5.047 5.133 -0.086 19910 6259 1 12 . 1 1 73 73 THR C C 73 172.660 172.660 172.741 -0.081 19910 6260 1 12 . 1 1 73 73 THR CA C 73 61.480 61.480 61.622 -0.142 19910 6261 1 12 . 1 1 73 73 THR CB C 73 69.950 69.950 70.647 -0.697 19910 6262 1 12 . 1 1 73 73 THR H H 73 8.610 8.610 9.367 -0.757 19910 6263 1 12 . 1 1 74 74 ILE N N 74 125.780 125.780 127.041 -1.261 19910 6264 1 12 . 1 1 74 74 ILE HA H 74 4.557 4.557 4.890 -0.333 19910 6265 1 12 . 1 1 74 74 ILE C C 74 171.480 171.480 173.419 -1.939 19910 6266 1 12 . 1 1 74 74 ILE CA C 74 59.060 59.060 59.581 -0.521 19910 6267 1 12 . 1 1 74 74 ILE CB C 74 41.510 41.510 41.745 -0.235 19910 6268 1 12 . 1 1 74 74 ILE H H 74 8.850 8.850 8.234 0.616 19910 6269 1 12 . 1 1 75 75 ARG N N 75 127.330 127.330 128.021 -0.691 19910 6270 1 12 . 1 1 75 75 ARG HA H 75 4.859 4.859 4.450 0.409 19910 6271 1 12 . 1 1 75 75 ARG C C 75 174.790 174.790 174.926 -0.136 19910 6272 1 12 . 1 1 75 75 ARG CA C 75 54.460 54.460 55.194 -0.734 19910 6273 1 12 . 1 1 75 75 ARG CB C 75 31.460 31.460 31.589 -0.129 19910 6274 1 12 . 1 1 75 75 ARG H H 75 8.320 8.320 8.453 -0.133 19910 6275 1 12 . 1 1 76 76 LEU N N 76 125.120 125.120 121.391 3.729 19910 6276 1 12 . 1 1 76 76 LEU HA H 76 4.819 4.819 4.861 -0.042 19910 6277 1 12 . 1 1 76 76 LEU CA C 76 50.530 50.530 51.413 -0.883 19910 6278 1 12 . 1 1 76 76 LEU CB C 76 43.070 43.070 44.489 -1.419 19910 6279 1 12 . 1 1 76 76 LEU H H 76 9.300 9.300 7.962 1.338 19910 6280 1 12 . 1 1 77 77 PRO HA H 77 4.114 4.114 4.669 -0.555 19910 6281 1 12 . 1 1 77 77 PRO C C 77 176.430 176.430 176.420 0.010 19910 6282 1 12 . 1 1 77 77 PRO CA C 77 62.080 62.080 61.751 0.329 19910 6283 1 12 . 1 1 77 77 PRO CB C 77 31.220 31.220 32.479 -1.259 19910 6284 1 12 . 1 1 78 78 LYS N N 78 122.800 122.800 120.326 2.474 19910 6285 1 12 . 1 1 78 78 LYS HA H 78 4.062 4.062 4.312 -0.250 19910 6286 1 12 . 1 1 78 78 LYS C C 78 176.590 176.590 176.460 0.130 19910 6287 1 12 . 1 1 78 78 LYS CA C 78 57.730 57.730 55.017 2.713 19910 6288 1 12 . 1 1 78 78 LYS CB C 78 32.800 32.800 33.717 -0.917 19910 6289 1 12 . 1 1 78 78 LYS H H 78 7.790 7.790 7.808 -0.018 19910 6290 1 12 . 1 1 79 79 GLU N N 79 124.540 124.540 122.280 2.260 19910 6291 1 12 . 1 1 79 79 GLU HA H 79 3.689 3.689 4.214 -0.525 19910 6292 1 12 . 1 1 79 79 GLU C C 79 176.300 176.300 176.021 0.279 19910 6293 1 12 . 1 1 79 79 GLU CA C 79 59.420 59.420 57.531 1.889 19910 6294 1 12 . 1 1 79 79 GLU CB C 79 30.500 30.500 30.324 0.176 19910 6295 1 12 . 1 1 79 79 GLU H H 79 8.520 8.520 8.570 -0.050 19910 6296 1 12 . 1 1 80 80 THR N N 80 115.960 115.960 116.596 -0.636 19910 6297 1 12 . 1 1 80 80 THR HA H 80 4.485 4.485 4.662 -0.177 19910 6298 1 12 . 1 1 80 80 THR CA C 80 59.120 59.120 60.104 -0.984 19910 6299 1 12 . 1 1 80 80 THR CB C 80 69.330 69.330 69.438 -0.108 19910 6300 1 12 . 1 1 80 80 THR H H 80 9.070 9.070 7.803 1.267 19910 6301 1 12 . 1 1 81 81 PRO HA H 81 4.070 4.070 3.841 0.229 19910 6302 1 12 . 1 1 81 81 PRO C C 81 177.860 177.860 178.116 -0.256 19910 6303 1 12 . 1 1 81 81 PRO CA C 81 63.900 63.900 64.071 -0.171 19910 6304 1 12 . 1 1 81 81 PRO CB C 81 31.460 31.460 31.934 -0.474 19910 6305 1 12 . 1 1 82 82 GLY N N 82 113.580 113.580 107.948 5.632 19910 6306 1 12 . 1 1 82 82 GLY C C 82 174.870 174.870 174.035 0.835 19910 6307 1 12 . 1 1 82 82 GLY CA C 82 45.140 45.140 45.008 0.132 19910 6308 1 12 . 1 1 82 82 GLY H H 82 9.150 9.150 8.809 0.341 19910 6309 1 12 . 1 1 83 83 GLN N N 83 122.820 122.820 120.079 2.741 19910 6310 1 12 . 1 1 83 83 GLN HA H 83 4.159 4.159 4.333 -0.174 19910 6311 1 12 . 1 1 83 83 GLN C C 83 175.180 175.180 174.391 0.789 19910 6312 1 12 . 1 1 83 83 GLN CA C 83 56.390 56.390 55.349 1.040 19910 6313 1 12 . 1 1 83 83 GLN CB C 83 29.410 29.410 30.627 -1.217 19910 6314 1 12 . 1 1 83 83 GLN H H 83 7.960 7.960 7.372 0.588 19910 6315 1 12 . 1 1 84 84 HIS N N 84 131.340 131.340 123.884 7.456 19910 6316 1 12 . 1 1 84 84 HIS HA H 84 4.299 4.299 4.793 -0.494 19910 6317 1 12 . 1 1 84 84 HIS C C 84 175.300 175.300 174.070 1.230 19910 6318 1 12 . 1 1 84 84 HIS CA C 84 56.640 56.640 54.202 2.438 19910 6319 1 12 . 1 1 84 84 HIS CB C 84 30.980 30.980 32.063 -1.083 19910 6320 1 12 . 1 1 84 84 HIS H H 84 9.220 9.220 8.545 0.675 19910 6321 1 12 . 1 1 85 85 PHE N N 85 130.320 130.320 127.742 2.578 19910 6322 1 12 . 1 1 85 85 PHE HA H 85 4.722 4.722 4.692 0.030 19910 6323 1 12 . 1 1 85 85 PHE C C 85 174.890 174.890 175.537 -0.647 19910 6324 1 12 . 1 1 85 85 PHE CA C 85 54.580 54.580 55.604 -1.024 19910 6325 1 12 . 1 1 85 85 PHE CB C 85 36.430 36.430 37.286 -0.856 19910 6326 1 12 . 1 1 85 85 PHE H H 85 9.130 9.130 8.752 0.378 19910 6327 1 12 . 1 1 86 86 GLU N N 86 126.010 126.010 122.350 3.660 19910 6328 1 12 . 1 1 86 86 GLU HA H 86 4.199 4.199 4.669 -0.470 19910 6329 1 12 . 1 1 86 86 GLU C C 86 177.000 177.000 177.798 -0.798 19910 6330 1 12 . 1 1 86 86 GLU CA C 86 55.910 55.910 56.533 -0.623 19910 6331 1 12 . 1 1 86 86 GLU CB C 86 30.620 30.620 30.844 -0.224 19910 6332 1 12 . 1 1 86 86 GLU H H 86 8.900 8.900 7.899 1.001 19910 6333 1 12 . 1 1 87 87 GLY N N 87 108.540 108.540 107.319 1.221 19910 6334 1 12 . 1 1 87 87 GLY C C 87 177.370 177.370 175.486 1.884 19910 6335 1 12 . 1 1 87 87 GLY CA C 87 46.590 46.590 46.227 0.363 19910 6336 1 12 . 1 1 87 87 GLY H H 87 8.610 8.610 8.915 -0.305 19910 6337 1 12 . 1 1 88 88 LEU N N 88 119.830 119.830 120.191 -0.361 19910 6338 1 12 . 1 1 88 88 LEU HA H 88 3.775 3.775 4.046 -0.271 19910 6339 1 12 . 1 1 88 88 LEU C C 88 177.500 177.500 178.324 -0.824 19910 6340 1 12 . 1 1 88 88 LEU CA C 88 57.850 57.850 57.690 0.160 19910 6341 1 12 . 1 1 88 88 LEU CB C 88 40.780 40.780 42.029 -1.249 19910 6342 1 12 . 1 1 88 88 LEU H H 88 8.370 8.370 8.017 0.353 19910 6343 1 12 . 1 1 89 89 ASN N N 89 112.390 112.390 115.333 -2.943 19910 6344 1 12 . 1 1 89 89 ASN HA H 89 4.524 4.524 4.685 -0.161 19910 6345 1 12 . 1 1 89 89 ASN C C 89 175.440 175.440 175.045 0.395 19910 6346 1 12 . 1 1 89 89 ASN CA C 89 54.340 54.340 54.624 -0.284 19910 6347 1 12 . 1 1 89 89 ASN CB C 89 37.030 37.030 38.312 -1.282 19910 6348 1 12 . 1 1 89 89 ASN H H 89 8.470 8.470 8.389 0.081 19910 6349 1 12 . 1 1 90 90 MET N N 90 117.460 117.460 117.105 0.355 19910 6350 1 12 . 1 1 90 90 MET HA H 90 4.626 4.626 4.419 0.207 19910 6351 1 12 . 1 1 90 90 MET C C 90 176.040 176.040 176.846 -0.806 19910 6352 1 12 . 1 1 90 90 MET CA C 90 54.340 54.340 56.068 -1.728 19910 6353 1 12 . 1 1 90 90 MET CB C 90 32.550 32.550 33.852 -1.302 19910 6354 1 12 . 1 1 90 90 MET H H 90 7.460 7.460 7.330 0.130 19910 6355 1 12 . 1 1 91 91 LEU N N 91 121.330 121.330 122.061 -0.731 19910 6356 1 12 . 1 1 91 91 LEU HA H 91 4.277 4.277 4.209 0.068 19910 6357 1 12 . 1 1 91 91 LEU C C 91 176.870 176.870 176.205 0.665 19910 6358 1 12 . 1 1 91 91 LEU CA C 91 56.390 56.390 56.439 -0.049 19910 6359 1 12 . 1 1 91 91 LEU CB C 91 42.480 42.480 42.515 -0.035 19910 6360 1 12 . 1 1 91 91 LEU H H 91 7.280 7.280 8.011 -0.731 19910 6361 1 12 . 1 1 92 92 THR N N 92 113.970 113.970 113.970 0.000 19910 6362 1 12 . 1 1 92 92 THR HA H 92 4.582 4.582 4.521 0.061 19910 6363 1 12 . 1 1 92 92 THR C C 92 173.180 173.180 172.884 0.296 19910 6364 1 12 . 1 1 92 92 THR CA C 92 60.390 60.390 60.778 -0.388 19910 6365 1 12 . 1 1 92 92 THR CB C 92 71.160 71.160 70.270 0.890 19910 6366 1 12 . 1 1 92 92 THR H H 92 8.110 8.110 7.973 0.137 19910 6367 1 12 . 1 1 93 93 ALA N N 93 124.650 124.650 124.648 0.002 19910 6368 1 12 . 1 1 93 93 ALA HA H 93 4.245 4.245 4.753 -0.508 19910 6369 1 12 . 1 1 93 93 ALA C C 93 177.650 177.650 177.784 -0.134 19910 6370 1 12 . 1 1 93 93 ALA CA C 93 52.640 52.640 51.112 1.528 19910 6371 1 12 . 1 1 93 93 ALA CB C 93 19.670 19.670 20.249 -0.579 19910 6372 1 12 . 1 1 93 93 ALA H H 93 8.430 8.430 8.252 0.178 19910 6373 1 12 . 1 1 94 94 LEU N N 94 123.150 123.150 121.860 1.290 19910 6374 1 12 . 1 1 94 94 LEU HA H 94 4.450 4.450 4.730 -0.280 19910 6375 1 12 . 1 1 94 94 LEU C C 94 177.420 177.420 176.263 1.157 19910 6376 1 12 . 1 1 94 94 LEU CA C 94 54.940 54.940 54.443 0.497 19910 6377 1 12 . 1 1 94 94 LEU CB C 94 42.480 42.480 42.224 0.256 19910 6378 1 12 . 1 1 94 94 LEU H H 94 8.450 8.450 8.435 0.015 19910 6379 1 12 . 1 1 95 95 LEU N N 95 124.390 124.390 125.966 -1.576 19910 6380 1 12 . 1 1 95 95 LEU HA H 95 4.409 4.409 4.590 -0.181 19910 6381 1 12 . 1 1 95 95 LEU C C 95 175.990 175.990 177.306 -1.316 19910 6382 1 12 . 1 1 95 95 LEU CA C 95 55.060 55.060 54.490 0.570 19910 6383 1 12 . 1 1 95 95 LEU CB C 95 42.360 42.360 41.318 1.042 19910 6384 1 12 . 1 1 95 95 LEU H H 95 8.380 8.380 8.579 -0.199 19910 6385 1 13 . 1 1 2 2 LEU N N 2 123.170 123.170 121.216 1.954 19910 6386 1 13 . 1 1 2 2 LEU HA H 2 4.588 4.588 4.830 -0.242 19910 6387 1 13 . 1 1 2 2 LEU C C 2 176.260 176.260 176.334 -0.074 19910 6388 1 13 . 1 1 2 2 LEU CA C 2 53.730 53.730 54.848 -1.118 19910 6389 1 13 . 1 1 2 2 LEU CB C 2 44.290 44.290 43.313 0.977 19910 6390 1 13 . 1 1 2 2 LEU H H 2 8.690 8.690 7.858 0.832 19910 6391 1 13 . 1 1 3 3 THR N N 3 120.960 120.960 116.248 4.712 19910 6392 1 13 . 1 1 3 3 THR HA H 3 5.193 5.193 4.698 0.495 19910 6393 1 13 . 1 1 3 3 THR CA C 3 59.990 59.990 60.559 -0.569 19910 6394 1 13 . 1 1 3 3 THR CB C 3 69.950 69.950 68.975 0.975 19910 6395 1 13 . 1 1 3 3 THR H H 3 8.850 8.850 8.303 0.547 19910 6396 1 13 . 1 1 4 4 PRO HA H 4 4.718 4.718 4.324 0.394 19910 6397 1 13 . 1 1 4 4 PRO C C 4 175.870 175.870 176.792 -0.922 19910 6398 1 13 . 1 1 4 4 PRO CA C 4 62.080 62.080 63.129 -1.048 19910 6399 1 13 . 1 1 4 4 PRO CB C 4 31.950 31.950 32.018 -0.068 19910 6400 1 13 . 1 1 5 5 ALA N N 5 122.560 122.560 123.986 -1.426 19910 6401 1 13 . 1 1 5 5 ALA HA H 5 4.348 4.348 4.442 -0.094 19910 6402 1 13 . 1 1 5 5 ALA C C 5 176.360 176.360 176.799 -0.439 19910 6403 1 13 . 1 1 5 5 ALA CA C 5 52.280 52.280 50.901 1.379 19910 6404 1 13 . 1 1 5 5 ALA CB C 5 18.880 18.880 17.781 1.099 19910 6405 1 13 . 1 1 5 5 ALA H H 5 8.400 8.400 8.366 0.034 19910 6406 1 13 . 1 1 6 6 PHE N N 6 115.160 115.160 119.007 -3.847 19910 6407 1 13 . 1 1 6 6 PHE HA H 6 5.537 5.537 4.396 1.141 19910 6408 1 13 . 1 1 6 6 PHE C C 6 172.590 172.590 174.851 -2.261 19910 6409 1 13 . 1 1 6 6 PHE CA C 6 55.430 55.430 57.779 -2.349 19910 6410 1 13 . 1 1 6 6 PHE CB C 6 42.240 42.240 39.709 2.530 19910 6411 1 13 . 1 1 6 6 PHE H H 6 7.740 7.740 7.674 0.066 19910 6412 1 13 . 1 1 7 7 ASP N N 7 118.960 118.960 118.872 0.088 19910 6413 1 13 . 1 1 7 7 ASP HA H 7 4.813 4.813 4.880 -0.067 19910 6414 1 13 . 1 1 7 7 ASP C C 7 174.530 174.530 173.958 0.572 19910 6415 1 13 . 1 1 7 7 ASP CA C 7 53.370 53.370 53.600 -0.230 19910 6416 1 13 . 1 1 7 7 ASP CB C 7 45.380 45.380 45.129 0.251 19910 6417 1 13 . 1 1 7 7 ASP H H 7 8.910 8.910 8.864 0.046 19910 6418 1 13 . 1 1 8 8 LEU N N 8 123.470 123.470 122.226 1.244 19910 6419 1 13 . 1 1 8 8 LEU HA H 8 5.284 5.284 4.636 0.648 19910 6420 1 13 . 1 1 8 8 LEU C C 8 175.420 175.420 175.834 -0.414 19910 6421 1 13 . 1 1 8 8 LEU CA C 8 53.850 53.850 53.866 -0.016 19910 6422 1 13 . 1 1 8 8 LEU CB C 8 45.620 45.620 43.986 1.634 19910 6423 1 13 . 1 1 8 8 LEU H H 8 8.750 8.750 8.139 0.611 19910 6424 1 13 . 1 1 9 9 SER N N 9 115.920 115.920 117.382 -1.462 19910 6425 1 13 . 1 1 9 9 SER HA H 9 4.486 4.486 4.755 -0.269 19910 6426 1 13 . 1 1 9 9 SER C C 9 171.680 171.680 172.841 -1.161 19910 6427 1 13 . 1 1 9 9 SER CA C 9 57.000 57.000 56.517 0.484 19910 6428 1 13 . 1 1 9 9 SER CB C 9 65.590 65.590 65.360 0.230 19910 6429 1 13 . 1 1 9 9 SER H H 9 8.860 8.860 8.801 0.059 19910 6430 1 13 . 1 1 10 10 GLN N N 10 115.230 115.230 124.051 -8.821 19910 6431 1 13 . 1 1 10 10 GLN HA H 10 5.375 5.375 4.498 0.877 19910 6432 1 13 . 1 1 10 10 GLN C C 10 172.130 172.130 173.431 -1.301 19910 6433 1 13 . 1 1 10 10 GLN CA C 10 54.270 54.270 54.682 -0.412 19910 6434 1 13 . 1 1 10 10 GLN CB C 10 32.990 32.990 31.584 1.406 19910 6435 1 13 . 1 1 10 10 GLN H H 10 8.800 8.800 8.420 0.380 19910 6436 1 13 . 1 1 11 11 ASP N N 11 124.270 124.270 123.439 0.831 19910 6437 1 13 . 1 1 11 11 ASP HA H 11 4.768 4.768 5.169 -0.401 19910 6438 1 13 . 1 1 11 11 ASP CA C 11 52.530 52.530 51.544 0.986 19910 6439 1 13 . 1 1 11 11 ASP CB C 11 42.200 42.200 43.772 -1.572 19910 6440 1 13 . 1 1 11 11 ASP H H 11 8.680 8.680 8.574 0.106 19910 6441 1 13 . 1 1 12 12 PRO HA H 12 4.050 4.050 4.403 -0.353 19910 6442 1 13 . 1 1 12 12 PRO C C 12 175.290 175.290 175.588 -0.298 19910 6443 1 13 . 1 1 12 12 PRO CA C 12 66.920 66.920 64.817 2.103 19910 6444 1 13 . 1 1 12 12 PRO CB C 12 31.950 31.950 32.092 -0.142 19910 6445 1 13 . 1 1 13 13 ASP N N 13 110.550 110.550 114.651 -4.101 19910 6446 1 13 . 1 1 13 13 ASP HA H 13 4.632 4.632 4.645 -0.013 19910 6447 1 13 . 1 1 13 13 ASP C C 13 176.480 176.480 174.403 2.077 19910 6448 1 13 . 1 1 13 13 ASP CA C 13 54.940 54.940 53.910 1.030 19910 6449 1 13 . 1 1 13 13 ASP CB C 13 44.410 44.410 42.530 1.880 19910 6450 1 13 . 1 1 13 13 ASP H H 13 7.990 7.990 8.441 -0.451 19910 6451 1 13 . 1 1 14 14 PHE N N 14 118.880 118.880 116.678 2.202 19910 6452 1 13 . 1 1 14 14 PHE HA H 14 5.049 5.049 4.772 0.277 19910 6453 1 13 . 1 1 14 14 PHE C C 14 174.690 174.690 173.162 1.528 19910 6454 1 13 . 1 1 14 14 PHE CA C 14 57.600 57.600 57.571 0.029 19910 6455 1 13 . 1 1 14 14 PHE CB C 14 42.960 42.960 42.779 0.181 19910 6456 1 13 . 1 1 14 14 PHE H H 14 8.390 8.390 7.965 0.425 19910 6457 1 13 . 1 1 15 15 LEU N N 15 123.990 123.990 121.199 2.791 19910 6458 1 13 . 1 1 15 15 LEU HA H 15 4.613 4.613 4.689 -0.076 19910 6459 1 13 . 1 1 15 15 LEU C C 15 174.780 174.780 174.706 0.074 19910 6460 1 13 . 1 1 15 15 LEU CA C 15 53.250 53.250 54.520 -1.270 19910 6461 1 13 . 1 1 15 15 LEU CB C 15 45.020 45.020 44.060 0.959 19910 6462 1 13 . 1 1 15 15 LEU H H 15 9.200 9.200 9.070 0.130 19910 6463 1 13 . 1 1 16 16 THR N N 16 122.960 122.960 123.936 -0.976 19910 6464 1 13 . 1 1 16 16 THR HA H 16 4.849 4.849 4.949 -0.100 19910 6465 1 13 . 1 1 16 16 THR C C 16 172.810 172.810 173.517 -0.707 19910 6466 1 13 . 1 1 16 16 THR CA C 16 62.690 62.690 61.894 0.796 19910 6467 1 13 . 1 1 16 16 THR CB C 16 69.340 69.340 70.881 -1.541 19910 6468 1 13 . 1 1 16 16 THR H H 16 9.000 9.000 8.898 0.102 19910 6469 1 13 . 1 1 17 17 ILE N N 17 126.630 126.630 122.964 3.666 19910 6470 1 13 . 1 1 17 17 ILE HA H 17 4.439 4.439 4.225 0.214 19910 6471 1 13 . 1 1 17 17 ILE C C 17 172.580 172.580 173.477 -0.897 19910 6472 1 13 . 1 1 17 17 ILE CA C 17 60.030 60.030 59.460 0.570 19910 6473 1 13 . 1 1 17 17 ILE CB C 17 39.450 39.450 41.247 -1.797 19910 6474 1 13 . 1 1 17 17 ILE H H 17 8.680 8.680 8.080 0.600 19910 6475 1 13 . 1 1 18 18 ALA N N 18 130.190 130.190 125.202 4.988 19910 6476 1 13 . 1 1 18 18 ALA HA H 18 5.215 5.215 5.485 -0.270 19910 6477 1 13 . 1 1 18 18 ALA C C 18 176.660 176.660 175.649 1.011 19910 6478 1 13 . 1 1 18 18 ALA CA C 18 49.980 49.980 50.501 -0.520 19910 6479 1 13 . 1 1 18 18 ALA CB C 18 20.570 20.570 21.936 -1.366 19910 6480 1 13 . 1 1 18 18 ALA H H 18 8.490 8.490 8.358 0.132 19910 6481 1 13 . 1 1 19 19 ILE N N 19 124.920 124.920 122.325 2.595 19910 6482 1 13 . 1 1 19 19 ILE HA H 19 4.307 4.307 4.542 -0.235 19910 6483 1 13 . 1 1 19 19 ILE C C 19 174.710 174.710 174.484 0.226 19910 6484 1 13 . 1 1 19 19 ILE CA C 19 60.990 60.990 59.946 1.044 19910 6485 1 13 . 1 1 19 19 ILE CB C 19 40.900 40.900 41.640 -0.740 19910 6486 1 13 . 1 1 19 19 ILE H H 19 9.590 9.590 8.265 1.325 19910 6487 1 13 . 1 1 20 20 ARG N N 20 128.960 128.960 128.214 0.746 19910 6488 1 13 . 1 1 20 20 ARG HA H 20 4.642 4.642 4.915 -0.273 19910 6489 1 13 . 1 1 20 20 ARG C C 20 174.890 174.890 174.503 0.387 19910 6490 1 13 . 1 1 20 20 ARG CA C 20 56.030 56.030 55.322 0.708 19910 6491 1 13 . 1 1 20 20 ARG CB C 20 29.530 29.530 31.033 -1.503 19910 6492 1 13 . 1 1 20 20 ARG H H 20 8.600 8.600 8.641 -0.041 19910 6493 1 13 . 1 1 21 21 VAL N N 21 120.400 120.400 120.163 0.237 19910 6494 1 13 . 1 1 21 21 VAL HA H 21 4.010 4.010 4.281 -0.271 19910 6495 1 13 . 1 1 21 21 VAL C C 21 174.950 174.950 174.536 0.414 19910 6496 1 13 . 1 1 21 21 VAL CA C 21 59.420 59.420 61.695 -2.275 19910 6497 1 13 . 1 1 21 21 VAL CB C 21 33.280 33.280 34.500 -1.220 19910 6498 1 13 . 1 1 21 21 VAL H H 21 8.020 8.020 8.323 -0.303 19910 6499 1 13 . 1 1 22 22 SER N N 22 118.050 118.050 120.507 -2.457 19910 6500 1 13 . 1 1 22 22 SER HA H 22 4.540 4.540 4.652 -0.112 19910 6501 1 13 . 1 1 22 22 SER C C 22 174.110 174.110 175.645 -1.535 19910 6502 1 13 . 1 1 22 22 SER CA C 22 59.540 59.540 59.641 -0.101 19910 6503 1 13 . 1 1 22 22 SER CB C 22 63.600 63.600 64.092 -0.492 19910 6504 1 13 . 1 1 22 22 SER H H 22 7.770 7.770 8.701 -0.931 19910 6505 1 13 . 1 1 23 23 TYR N N 23 120.870 120.870 120.389 0.481 19910 6506 1 13 . 1 1 23 23 TYR HA H 23 4.493 4.493 4.439 0.054 19910 6507 1 13 . 1 1 23 23 TYR C C 23 175.310 175.310 175.710 -0.400 19910 6508 1 13 . 1 1 23 23 TYR CA C 23 58.210 58.210 58.237 -0.027 19910 6509 1 13 . 1 1 23 23 TYR CB C 23 37.880 37.880 38.150 -0.270 19910 6510 1 13 . 1 1 23 23 TYR H H 23 8.300 8.300 8.719 -0.418 19910 6511 1 13 . 1 1 24 24 ALA N N 24 122.670 122.670 122.660 0.010 19910 6512 1 13 . 1 1 24 24 ALA HA H 24 4.303 4.303 4.345 -0.042 19910 6513 1 13 . 1 1 24 24 ALA C C 24 177.160 177.160 177.373 -0.213 19910 6514 1 13 . 1 1 24 24 ALA CA C 24 52.520 52.520 53.066 -0.546 19910 6515 1 13 . 1 1 24 24 ALA CB C 24 19.730 19.730 17.348 2.382 19910 6516 1 13 . 1 1 24 24 ALA H H 24 7.910 7.910 8.313 -0.403 19910 6517 1 13 . 1 1 25 25 ARG N N 25 119.060 119.060 125.245 -6.185 19910 6518 1 13 . 1 1 25 25 ARG HA H 25 4.346 4.346 4.515 -0.169 19910 6519 1 13 . 1 1 25 25 ARG C C 25 175.830 175.830 174.889 0.941 19910 6520 1 13 . 1 1 25 25 ARG CA C 25 55.550 55.550 55.929 -0.379 19910 6521 1 13 . 1 1 25 25 ARG CB C 25 30.500 30.500 29.879 0.621 19910 6522 1 13 . 1 1 25 25 ARG H H 25 8.220 8.220 8.264 -0.044 19910 6523 1 13 . 1 1 26 26 VAL N N 26 118.660 118.660 119.683 -1.023 19910 6524 1 13 . 1 1 26 26 VAL HA H 26 3.454 3.454 4.417 -0.963 19910 6525 1 13 . 1 1 26 26 VAL C C 26 175.700 175.700 175.461 0.239 19910 6526 1 13 . 1 1 26 26 VAL CA C 26 61.960 61.960 61.450 0.509 19910 6527 1 13 . 1 1 26 26 VAL CB C 26 32.800 32.800 34.629 -1.829 19910 6528 1 13 . 1 1 26 26 VAL H H 26 7.650 7.650 7.854 -0.204 19910 6529 1 13 . 1 1 27 27 SER N N 27 116.090 116.090 117.824 -1.734 19910 6530 1 13 . 1 1 27 27 SER HA H 27 4.183 4.183 4.520 -0.337 19910 6531 1 13 . 1 1 27 27 SER C C 27 173.750 173.750 174.243 -0.493 19910 6532 1 13 . 1 1 27 27 SER CA C 27 58.570 58.570 59.459 -0.889 19910 6533 1 13 . 1 1 27 27 SER CB C 27 63.530 63.530 63.691 -0.162 19910 6534 1 13 . 1 1 27 27 SER H H 27 8.180 8.180 8.519 -0.339 19910 6535 1 13 . 1 1 28 28 GLU N N 28 120.070 120.070 120.224 -0.154 19910 6536 1 13 . 1 1 28 28 GLU HA H 28 4.203 4.203 4.240 -0.037 19910 6537 1 13 . 1 1 28 28 GLU C C 28 174.790 174.790 174.602 0.188 19910 6538 1 13 . 1 1 28 28 GLU CA C 28 55.550 55.550 56.919 -1.369 19910 6539 1 13 . 1 1 28 28 GLU CB C 28 30.620 30.620 30.667 -0.047 19910 6540 1 13 . 1 1 28 28 GLU H H 28 7.400 7.400 7.848 -0.448 19910 6541 1 13 . 1 1 29 29 PHE N N 29 120.340 120.340 122.369 -2.029 19910 6542 1 13 . 1 1 29 29 PHE HA H 29 4.487 4.487 4.609 -0.122 19910 6543 1 13 . 1 1 29 29 PHE C C 29 174.580 174.580 176.043 -1.463 19910 6544 1 13 . 1 1 29 29 PHE CA C 29 55.790 55.790 54.836 0.954 19910 6545 1 13 . 1 1 29 29 PHE CB C 29 39.690 39.690 39.498 0.192 19910 6546 1 13 . 1 1 29 29 PHE H H 29 7.820 7.820 7.864 -0.044 19910 6547 1 13 . 1 1 30 30 ASP N N 30 123.670 123.670 124.282 -0.612 19910 6548 1 13 . 1 1 30 30 ASP HA H 30 4.817 4.817 4.833 -0.016 19910 6549 1 13 . 1 1 30 30 ASP C C 30 174.040 174.040 174.598 -0.558 19910 6550 1 13 . 1 1 30 30 ASP CA C 30 53.850 53.850 53.563 0.287 19910 6551 1 13 . 1 1 30 30 ASP CB C 30 43.450 43.450 41.914 1.536 19910 6552 1 13 . 1 1 30 30 ASP H H 30 8.420 8.420 8.756 -0.336 19910 6553 1 13 . 1 1 31 31 VAL N N 31 123.010 123.010 123.263 -0.253 19910 6554 1 13 . 1 1 31 31 VAL HA H 31 4.768 4.768 5.028 -0.260 19910 6555 1 13 . 1 1 31 31 VAL C C 31 173.980 173.980 174.925 -0.945 19910 6556 1 13 . 1 1 31 31 VAL CA C 31 60.510 60.510 60.843 -0.333 19910 6557 1 13 . 1 1 31 31 VAL CB C 31 34.730 34.730 32.785 1.945 19910 6558 1 13 . 1 1 31 31 VAL H H 31 8.270 8.270 8.192 0.078 19910 6559 1 13 . 1 1 32 32 TYR N N 32 127.340 127.340 127.430 -0.090 19910 6560 1 13 . 1 1 32 32 TYR HA H 32 4.624 4.624 4.706 -0.082 19910 6561 1 13 . 1 1 32 32 TYR C C 32 172.990 172.990 174.262 -1.272 19910 6562 1 13 . 1 1 32 32 TYR CA C 32 56.520 56.520 56.460 0.060 19910 6563 1 13 . 1 1 32 32 TYR CB C 32 41.870 41.870 40.720 1.150 19910 6564 1 13 . 1 1 32 32 TYR H H 32 8.920 8.920 8.706 0.214 19910 6565 1 13 . 1 1 33 33 PHE N N 33 121.160 121.160 121.345 -0.185 19910 6566 1 13 . 1 1 33 33 PHE HA H 33 5.106 5.106 5.971 -0.865 19910 6567 1 13 . 1 1 33 33 PHE C C 33 173.100 173.100 174.853 -1.753 19910 6568 1 13 . 1 1 33 33 PHE CA C 33 55.310 55.310 55.234 0.076 19910 6569 1 13 . 1 1 33 33 PHE CB C 33 40.420 40.420 41.304 -0.884 19910 6570 1 13 . 1 1 33 33 PHE H H 33 7.510 7.510 8.304 -0.794 19910 6571 1 13 . 1 1 34 34 GLU N N 34 120.460 120.460 121.579 -1.119 19910 6572 1 13 . 1 1 34 34 GLU HA H 34 4.099 4.099 4.758 -0.659 19910 6573 1 13 . 1 1 34 34 GLU C C 34 175.700 175.700 177.076 -1.376 19910 6574 1 13 . 1 1 34 34 GLU CA C 34 56.640 56.640 54.774 1.866 19910 6575 1 13 . 1 1 34 34 GLU CB C 34 31.340 31.340 31.780 -0.440 19910 6576 1 13 . 1 1 34 34 GLU H H 34 8.190 8.190 8.858 -0.668 19910 6577 1 13 . 1 1 35 35 GLY N N 35 117.400 117.400 115.664 1.736 19910 6578 1 13 . 1 1 35 35 GLY C C 35 173.120 173.120 174.684 -1.564 19910 6579 1 13 . 1 1 35 35 GLY CA C 35 47.680 47.680 46.461 1.219 19910 6580 1 13 . 1 1 35 35 GLY H H 35 9.240 9.240 9.211 0.029 19910 6581 1 13 . 1 1 36 36 SER N N 36 122.510 122.510 109.343 13.167 19910 6582 1 13 . 1 1 36 36 SER HA H 36 4.795 4.795 4.037 0.758 19910 6583 1 13 . 1 1 36 36 SER C C 36 172.680 172.680 173.162 -0.482 19910 6584 1 13 . 1 1 36 36 SER CA C 36 57.360 57.360 59.421 -2.061 19910 6585 1 13 . 1 1 36 36 SER CB C 36 64.500 64.500 62.649 1.851 19910 6586 1 13 . 1 1 36 36 SER H H 36 8.930 8.930 8.722 0.208 19910 6587 1 13 . 1 1 37 37 ASP N N 37 123.120 123.120 121.256 1.864 19910 6588 1 13 . 1 1 37 37 ASP HA H 37 5.192 5.192 5.229 -0.037 19910 6589 1 13 . 1 1 37 37 ASP C C 37 174.170 174.170 174.346 -0.176 19910 6590 1 13 . 1 1 37 37 ASP CA C 37 54.340 54.340 53.533 0.807 19910 6591 1 13 . 1 1 37 37 ASP CB C 37 43.810 43.810 42.938 0.872 19910 6592 1 13 . 1 1 37 37 ASP H H 37 8.600 8.600 7.813 0.787 19910 6593 1 13 . 1 1 38 38 PHE N N 38 122.850 122.850 128.457 -5.607 19910 6594 1 13 . 1 1 38 38 PHE HA H 38 5.053 5.053 5.300 -0.247 19910 6595 1 13 . 1 1 38 38 PHE C C 38 172.810 172.810 173.184 -0.374 19910 6596 1 13 . 1 1 38 38 PHE CA C 38 57.000 57.000 56.597 0.403 19910 6597 1 13 . 1 1 38 38 PHE CB C 38 43.080 43.080 42.011 1.069 19910 6598 1 13 . 1 1 38 38 PHE H H 38 8.340 8.340 9.639 -1.299 19910 6599 1 13 . 1 1 39 39 LYS N N 39 126.630 126.630 128.663 -2.033 19910 6600 1 13 . 1 1 39 39 LYS HA H 39 4.816 4.816 5.181 -0.365 19910 6601 1 13 . 1 1 39 39 LYS C C 39 172.540 172.540 174.284 -1.744 19910 6602 1 13 . 1 1 39 39 LYS CA C 39 54.890 54.890 54.380 0.510 19910 6603 1 13 . 1 1 39 39 LYS CB C 39 36.790 36.790 35.947 0.843 19910 6604 1 13 . 1 1 39 39 LYS H H 39 8.690 8.690 8.668 0.022 19910 6605 1 13 . 1 1 40 40 PHE N N 40 123.910 123.910 125.554 -1.644 19910 6606 1 13 . 1 1 40 40 PHE HA H 40 4.923 4.923 5.149 -0.226 19910 6607 1 13 . 1 1 40 40 PHE C C 40 171.900 171.900 172.841 -0.941 19910 6608 1 13 . 1 1 40 40 PHE CA C 40 55.910 55.910 55.342 0.568 19910 6609 1 13 . 1 1 40 40 PHE CB C 40 43.450 43.450 42.814 0.636 19910 6610 1 13 . 1 1 40 40 PHE H H 40 8.750 8.750 8.782 -0.032 19910 6611 1 13 . 1 1 41 41 TYR N N 41 126.490 126.490 125.482 1.008 19910 6612 1 13 . 1 1 41 41 TYR HA H 41 4.958 4.958 5.300 -0.342 19910 6613 1 13 . 1 1 41 41 TYR C C 41 173.070 173.070 174.213 -1.143 19910 6614 1 13 . 1 1 41 41 TYR CA C 41 55.670 55.670 55.993 -0.323 19910 6615 1 13 . 1 1 41 41 TYR CB C 41 41.510 41.510 41.032 0.478 19910 6616 1 13 . 1 1 41 41 TYR H H 41 8.450 8.450 8.465 -0.015 19910 6617 1 13 . 1 1 42 42 ALA N N 42 129.720 129.720 129.432 0.288 19910 6618 1 13 . 1 1 42 42 ALA HA H 42 4.024 4.024 4.246 -0.222 19910 6619 1 13 . 1 1 42 42 ALA C C 42 174.350 174.350 176.936 -2.586 19910 6620 1 13 . 1 1 42 42 ALA CA C 42 51.190 51.190 52.541 -1.351 19910 6621 1 13 . 1 1 42 42 ALA CB C 42 20.330 20.330 19.547 0.783 19910 6622 1 13 . 1 1 42 42 ALA H H 42 7.970 7.970 8.204 -0.234 19910 6623 1 13 . 1 1 43 43 LYS N N 43 124.250 124.250 117.918 6.332 19910 6624 1 13 . 1 1 43 43 LYS HA H 43 3.634 3.634 4.605 -0.971 19910 6625 1 13 . 1 1 43 43 LYS CA C 43 56.260 56.260 57.057 -0.797 19910 6626 1 13 . 1 1 43 43 LYS CB C 43 32.860 32.860 32.184 0.677 19910 6627 1 13 . 1 1 43 43 LYS H H 43 7.850 7.850 8.205 -0.355 19910 6628 1 13 . 1 1 44 44 PRO HA H 44 4.487 4.487 4.758 -0.271 19910 6629 1 13 . 1 1 44 44 PRO C C 44 173.980 173.980 175.404 -1.424 19910 6630 1 13 . 1 1 44 44 PRO CA C 44 64.380 64.380 63.118 1.262 19910 6631 1 13 . 1 1 44 44 PRO CB C 44 34.010 34.010 32.548 1.462 19910 6632 1 13 . 1 1 45 45 TYR N N 45 126.840 126.840 119.277 7.563 19910 6633 1 13 . 1 1 45 45 TYR HA H 45 5.274 5.274 4.339 0.935 19910 6634 1 13 . 1 1 45 45 TYR C C 45 175.290 175.290 174.093 1.197 19910 6635 1 13 . 1 1 45 45 TYR CA C 45 58.330 58.330 57.460 0.870 19910 6636 1 13 . 1 1 45 45 TYR CB C 45 40.300 40.300 39.796 0.504 19910 6637 1 13 . 1 1 45 45 TYR H H 45 9.360 9.360 7.817 1.543 19910 6638 1 13 . 1 1 46 46 PHE N N 46 121.470 121.470 121.861 -0.391 19910 6639 1 13 . 1 1 46 46 PHE HA H 46 5.422 5.422 5.402 0.020 19910 6640 1 13 . 1 1 46 46 PHE C C 46 173.180 173.180 174.707 -1.527 19910 6641 1 13 . 1 1 46 46 PHE CA C 46 56.520 56.520 55.035 1.485 19910 6642 1 13 . 1 1 46 46 PHE CB C 46 43.930 43.930 40.565 3.365 19910 6643 1 13 . 1 1 46 46 PHE H H 46 8.870 8.870 8.089 0.781 19910 6644 1 13 . 1 1 47 47 LEU N N 47 129.700 129.700 126.558 3.142 19910 6645 1 13 . 1 1 47 47 LEU HA H 47 4.565 4.565 4.649 -0.084 19910 6646 1 13 . 1 1 47 47 LEU C C 47 171.770 171.770 174.819 -3.049 19910 6647 1 13 . 1 1 47 47 LEU CA C 47 53.130 53.130 53.987 -0.857 19910 6648 1 13 . 1 1 47 47 LEU CB C 47 47.560 47.560 44.923 2.637 19910 6649 1 13 . 1 1 47 47 LEU H H 47 8.850 8.850 9.050 -0.200 19910 6650 1 13 . 1 1 48 48 ARG N N 48 127.760 127.760 128.097 -0.337 19910 6651 1 13 . 1 1 48 48 ARG HA H 48 5.283 5.283 5.058 0.225 19910 6652 1 13 . 1 1 48 48 ARG C C 48 174.090 174.090 174.566 -0.476 19910 6653 1 13 . 1 1 48 48 ARG CA C 48 54.100 54.100 54.931 -0.831 19910 6654 1 13 . 1 1 48 48 ARG CB C 48 33.160 33.160 31.216 1.944 19910 6655 1 13 . 1 1 48 48 ARG H H 48 8.620 8.620 8.604 0.016 19910 6656 1 13 . 1 1 49 49 LEU N N 49 122.890 122.890 128.233 -5.343 19910 6657 1 13 . 1 1 49 49 LEU HA H 49 4.855 4.855 4.877 -0.022 19910 6658 1 13 . 1 1 49 49 LEU C C 49 175.880 175.880 175.282 0.598 19910 6659 1 13 . 1 1 49 49 LEU CA C 49 52.880 52.880 54.156 -1.276 19910 6660 1 13 . 1 1 49 49 LEU CB C 49 47.800 47.800 46.593 1.207 19910 6661 1 13 . 1 1 49 49 LEU H H 49 8.970 8.970 9.331 -0.361 19910 6662 1 13 . 1 1 50 50 THR N N 50 118.610 118.610 116.877 1.733 19910 6663 1 13 . 1 1 50 50 THR HA H 50 4.862 4.862 5.310 -0.448 19910 6664 1 13 . 1 1 50 50 THR C C 50 174.610 174.610 174.352 0.258 19910 6665 1 13 . 1 1 50 50 THR CA C 50 61.110 61.110 60.855 0.255 19910 6666 1 13 . 1 1 50 50 THR CB C 50 69.220 69.220 69.835 -0.615 19910 6667 1 13 . 1 1 50 50 THR H H 50 8.670 8.670 8.316 0.354 19910 6668 1 13 . 1 1 51 51 LEU N N 51 126.300 126.300 127.000 -0.700 19910 6669 1 13 . 1 1 51 51 LEU HA H 51 4.302 4.302 4.474 -0.172 19910 6670 1 13 . 1 1 51 51 LEU CA C 51 52.650 52.650 52.874 -0.224 19910 6671 1 13 . 1 1 51 51 LEU CB C 51 41.950 41.950 41.669 0.281 19910 6672 1 13 . 1 1 51 51 LEU H H 51 9.540 9.540 8.557 0.983 19910 6673 1 13 . 1 1 52 52 PRO HA H 52 4.401 4.401 4.226 0.175 19910 6674 1 13 . 1 1 52 52 PRO C C 52 174.240 174.240 176.451 -2.211 19910 6675 1 13 . 1 1 52 52 PRO CA C 52 62.690 62.690 63.350 -0.660 19910 6676 1 13 . 1 1 52 52 PRO CB C 52 30.620 30.620 31.990 -1.370 19910 6677 1 13 . 1 1 53 53 GLY N N 53 105.990 105.990 104.945 1.045 19910 6678 1 13 . 1 1 53 53 GLY C C 53 170.520 170.520 172.931 -2.411 19910 6679 1 13 . 1 1 53 53 GLY CA C 53 43.450 43.450 43.993 -0.543 19910 6680 1 13 . 1 1 53 53 GLY H H 53 6.550 6.550 6.409 0.141 19910 6681 1 13 . 1 1 54 54 ARG N N 54 115.660 115.660 118.431 -2.771 19910 6682 1 13 . 1 1 54 54 ARG HA H 54 4.347 4.347 4.657 -0.310 19910 6683 1 13 . 1 1 54 54 ARG C C 54 176.940 176.940 174.788 2.152 19910 6684 1 13 . 1 1 54 54 ARG CA C 54 55.890 55.890 55.712 0.178 19910 6685 1 13 . 1 1 54 54 ARG CB C 54 32.310 32.310 34.341 -2.031 19910 6686 1 13 . 1 1 54 54 ARG H H 54 8.210 8.210 8.598 -0.388 19910 6687 1 13 . 1 1 55 55 ILE N N 55 118.910 118.910 122.726 -3.816 19910 6688 1 13 . 1 1 55 55 ILE HA H 55 5.003 5.003 4.609 0.394 19910 6689 1 13 . 1 1 55 55 ILE C C 55 175.310 175.310 175.465 -0.155 19910 6690 1 13 . 1 1 55 55 ILE CA C 55 58.500 58.500 58.772 -0.272 19910 6691 1 13 . 1 1 55 55 ILE CB C 55 40.950 40.950 39.101 1.849 19910 6692 1 13 . 1 1 55 55 ILE H H 55 8.640 8.640 8.577 0.063 19910 6693 1 13 . 1 1 56 56 VAL N N 56 118.140 118.140 125.148 -7.008 19910 6694 1 13 . 1 1 56 56 VAL HA H 56 4.438 4.438 3.996 0.442 19910 6695 1 13 . 1 1 56 56 VAL C C 56 172.920 172.920 174.927 -2.007 19910 6696 1 13 . 1 1 56 56 VAL CA C 56 60.510 60.510 63.246 -2.736 19910 6697 1 13 . 1 1 56 56 VAL CB C 56 34.850 34.850 33.046 1.804 19910 6698 1 13 . 1 1 56 56 VAL H H 56 8.330 8.330 7.852 0.478 19910 6699 1 13 . 1 1 57 57 GLU N N 57 123.300 123.300 126.076 -2.776 19910 6700 1 13 . 1 1 57 57 GLU HA H 57 4.358 4.358 4.777 -0.419 19910 6701 1 13 . 1 1 57 57 GLU C C 57 176.350 176.350 175.660 0.690 19910 6702 1 13 . 1 1 57 57 GLU CA C 57 55.890 55.890 56.172 -0.282 19910 6703 1 13 . 1 1 57 57 GLU CB C 57 29.880 29.880 30.289 -0.409 19910 6704 1 13 . 1 1 57 57 GLU H H 57 8.380 8.380 8.761 -0.381 19910 6705 1 13 . 1 1 58 58 ASN N N 58 121.570 121.570 122.664 -1.094 19910 6706 1 13 . 1 1 58 58 ASN HA H 58 4.764 4.764 4.826 -0.062 19910 6707 1 13 . 1 1 58 58 ASN C C 58 176.120 176.120 175.461 0.659 19910 6708 1 13 . 1 1 58 58 ASN CA C 58 52.760 52.760 54.327 -1.567 19910 6709 1 13 . 1 1 58 58 ASN CB C 58 38.970 38.970 39.595 -0.625 19910 6710 1 13 . 1 1 58 58 ASN H H 58 8.360 8.360 8.978 -0.618 19910 6711 1 13 . 1 1 59 59 GLY N N 59 112.050 112.050 108.208 3.842 19910 6712 1 13 . 1 1 59 59 GLY C C 59 174.840 174.840 174.690 0.150 19910 6713 1 13 . 1 1 59 59 GLY CA C 59 45.380 45.380 44.939 0.441 19910 6714 1 13 . 1 1 59 59 GLY H H 59 9.350 9.350 8.529 0.821 19910 6715 1 13 . 1 1 60 60 SER N N 60 115.430 115.430 116.527 -1.097 19910 6716 1 13 . 1 1 60 60 SER HA H 60 4.536 4.536 4.652 -0.116 19910 6717 1 13 . 1 1 60 60 SER C C 60 174.140 174.140 174.808 -0.668 19910 6718 1 13 . 1 1 60 60 SER CA C 60 58.810 58.810 58.258 0.552 19910 6719 1 13 . 1 1 60 60 SER CB C 60 64.140 64.140 63.431 0.709 19910 6720 1 13 . 1 1 60 60 SER H H 60 8.350 8.350 8.407 -0.057 19910 6721 1 13 . 1 1 61 61 GLU N N 61 122.950 122.950 120.768 2.182 19910 6722 1 13 . 1 1 61 61 GLU HA H 61 4.525 4.525 4.465 0.060 19910 6723 1 13 . 1 1 61 61 GLU C C 61 175.550 175.550 175.240 0.310 19910 6724 1 13 . 1 1 61 61 GLU CA C 61 56.520 56.520 55.766 0.754 19910 6725 1 13 . 1 1 61 61 GLU CB C 61 29.530 29.530 30.346 -0.816 19910 6726 1 13 . 1 1 61 61 GLU H H 61 8.910 8.910 7.826 1.084 19910 6727 1 13 . 1 1 62 62 GLN N N 62 120.280 120.280 118.321 1.959 19910 6728 1 13 . 1 1 62 62 GLN HA H 62 4.601 4.601 4.610 -0.009 19910 6729 1 13 . 1 1 62 62 GLN C C 62 175.700 175.700 174.500 1.200 19910 6730 1 13 . 1 1 62 62 GLN CA C 62 55.430 55.430 55.148 0.282 19910 6731 1 13 . 1 1 62 62 GLN CB C 62 31.340 31.340 32.601 -1.261 19910 6732 1 13 . 1 1 62 62 GLN H H 62 8.310 8.310 8.143 0.167 19910 6733 1 13 . 1 1 63 63 GLY N N 63 111.400 111.400 109.798 1.602 19910 6734 1 13 . 1 1 63 63 GLY C C 63 172.550 172.550 173.351 -0.801 19910 6735 1 13 . 1 1 63 63 GLY CA C 63 44.690 44.690 44.674 0.016 19910 6736 1 13 . 1 1 63 63 GLY H H 63 8.880 8.880 8.402 0.478 19910 6737 1 13 . 1 1 64 64 SER N N 64 115.080 115.080 120.111 -5.031 19910 6738 1 13 . 1 1 64 64 SER HA H 64 4.629 4.629 4.884 -0.255 19910 6739 1 13 . 1 1 64 64 SER C C 64 171.770 171.770 172.913 -1.143 19910 6740 1 13 . 1 1 64 64 SER CA C 64 57.120 57.120 57.747 -0.627 19910 6741 1 13 . 1 1 64 64 SER CB C 64 65.230 65.230 65.330 -0.100 19910 6742 1 13 . 1 1 64 64 SER H H 64 8.280 8.280 8.814 -0.534 19910 6743 1 13 . 1 1 65 65 TYR N N 65 124.640 124.640 128.329 -3.689 19910 6744 1 13 . 1 1 65 65 TYR HA H 65 5.198 5.198 4.940 0.258 19910 6745 1 13 . 1 1 65 65 TYR C C 65 173.640 173.640 174.452 -0.812 19910 6746 1 13 . 1 1 65 65 TYR CA C 65 55.670 55.670 56.911 -1.241 19910 6747 1 13 . 1 1 65 65 TYR CB C 65 40.900 40.900 39.154 1.746 19910 6748 1 13 . 1 1 65 65 TYR H H 65 8.980 8.980 8.923 0.057 19910 6749 1 13 . 1 1 66 66 ASP N N 66 128.570 128.570 129.501 -0.931 19910 6750 1 13 . 1 1 66 66 ASP HA H 66 4.532 4.532 4.737 -0.205 19910 6751 1 13 . 1 1 66 66 ASP C C 66 175.340 175.340 174.925 0.415 19910 6752 1 13 . 1 1 66 66 ASP CA C 66 51.800 51.800 53.496 -1.696 19910 6753 1 13 . 1 1 66 66 ASP CB C 66 41.510 41.510 42.753 -1.243 19910 6754 1 13 . 1 1 66 66 ASP H H 66 8.000 8.000 8.254 -0.254 19910 6755 1 13 . 1 1 67 67 ALA N N 67 127.520 127.520 127.777 -0.257 19910 6756 1 13 . 1 1 67 67 ALA HA H 67 3.597 3.597 3.938 -0.341 19910 6757 1 13 . 1 1 67 67 ALA C C 67 178.770 178.770 177.760 1.010 19910 6758 1 13 . 1 1 67 67 ALA CA C 67 53.850 53.850 54.081 -0.231 19910 6759 1 13 . 1 1 67 67 ALA CB C 67 18.640 18.640 18.931 -0.291 19910 6760 1 13 . 1 1 67 67 ALA H H 67 8.460 8.460 8.442 0.018 19910 6761 1 13 . 1 1 68 68 ASP N N 68 117.850 117.850 118.137 -0.287 19910 6762 1 13 . 1 1 68 68 ASP HA H 68 4.340 4.340 4.371 -0.031 19910 6763 1 13 . 1 1 68 68 ASP C C 68 177.780 177.780 177.554 0.226 19910 6764 1 13 . 1 1 68 68 ASP CA C 68 56.760 56.760 56.157 0.603 19910 6765 1 13 . 1 1 68 68 ASP CB C 68 40.900 40.900 40.340 0.560 19910 6766 1 13 . 1 1 68 68 ASP H H 68 7.980 7.980 8.260 -0.280 19910 6767 1 13 . 1 1 69 69 LYS N N 69 115.790 115.790 119.326 -3.536 19910 6768 1 13 . 1 1 69 69 LYS HA H 69 4.119 4.119 4.283 -0.164 19910 6769 1 13 . 1 1 69 69 LYS C C 69 177.130 177.130 177.089 0.041 19910 6770 1 13 . 1 1 69 69 LYS CA C 69 56.150 56.150 56.029 0.121 19910 6771 1 13 . 1 1 69 69 LYS CB C 69 34.010 34.010 33.374 0.636 19910 6772 1 13 . 1 1 69 69 LYS H H 69 7.390 7.390 8.003 -0.613 19910 6773 1 13 . 1 1 70 70 GLY N N 70 110.040 110.040 109.075 0.965 19910 6774 1 13 . 1 1 70 70 GLY C C 70 174.040 174.040 173.651 0.389 19910 6775 1 13 . 1 1 70 70 GLY CA C 70 46.830 46.830 45.637 1.193 19910 6776 1 13 . 1 1 70 70 GLY H H 70 8.030 8.030 7.670 0.360 19910 6777 1 13 . 1 1 71 71 ILE N N 71 115.810 115.810 120.035 -4.225 19910 6778 1 13 . 1 1 71 71 ILE HA H 71 4.861 4.861 4.795 0.066 19910 6779 1 13 . 1 1 71 71 ILE C C 71 175.520 175.520 174.206 1.314 19910 6780 1 13 . 1 1 71 71 ILE CA C 71 59.420 59.420 60.860 -1.440 19910 6781 1 13 . 1 1 71 71 ILE CB C 71 42.240 42.240 41.513 0.728 19910 6782 1 13 . 1 1 71 71 ILE H H 71 6.990 6.990 8.292 -1.302 19910 6783 1 13 . 1 1 72 72 PHE N N 72 132.630 132.630 129.805 2.825 19910 6784 1 13 . 1 1 72 72 PHE HA H 72 5.377 5.377 5.532 -0.155 19910 6785 1 13 . 1 1 72 72 PHE C C 72 173.310 173.310 174.117 -0.807 19910 6786 1 13 . 1 1 72 72 PHE CA C 72 56.150 56.150 54.800 1.350 19910 6787 1 13 . 1 1 72 72 PHE CB C 72 41.630 41.630 41.438 0.193 19910 6788 1 13 . 1 1 72 72 PHE H H 72 9.720 9.720 9.327 0.393 19910 6789 1 13 . 1 1 73 73 THR N N 73 124.190 124.190 125.830 -1.640 19910 6790 1 13 . 1 1 73 73 THR HA H 73 5.047 5.047 5.017 0.030 19910 6791 1 13 . 1 1 73 73 THR C C 73 172.660 172.660 172.733 -0.073 19910 6792 1 13 . 1 1 73 73 THR CA C 73 61.480 61.480 60.993 0.487 19910 6793 1 13 . 1 1 73 73 THR CB C 73 69.950 69.950 69.993 -0.043 19910 6794 1 13 . 1 1 73 73 THR H H 73 8.610 8.610 9.061 -0.451 19910 6795 1 13 . 1 1 74 74 ILE N N 74 125.780 125.780 127.217 -1.437 19910 6796 1 13 . 1 1 74 74 ILE HA H 74 4.557 4.557 4.944 -0.387 19910 6797 1 13 . 1 1 74 74 ILE C C 74 171.480 171.480 173.538 -2.058 19910 6798 1 13 . 1 1 74 74 ILE CA C 74 59.060 59.060 58.803 0.257 19910 6799 1 13 . 1 1 74 74 ILE CB C 74 41.510 41.510 41.536 -0.026 19910 6800 1 13 . 1 1 74 74 ILE H H 74 8.850 8.850 8.093 0.757 19910 6801 1 13 . 1 1 75 75 ARG N N 75 127.330 127.330 127.949 -0.619 19910 6802 1 13 . 1 1 75 75 ARG HA H 75 4.859 4.859 4.482 0.377 19910 6803 1 13 . 1 1 75 75 ARG C C 75 174.790 174.790 174.988 -0.198 19910 6804 1 13 . 1 1 75 75 ARG CA C 75 54.460 54.460 55.115 -0.656 19910 6805 1 13 . 1 1 75 75 ARG CB C 75 31.460 31.460 31.168 0.292 19910 6806 1 13 . 1 1 75 75 ARG H H 75 8.320 8.320 8.570 -0.250 19910 6807 1 13 . 1 1 76 76 LEU N N 76 125.120 125.120 122.259 2.861 19910 6808 1 13 . 1 1 76 76 LEU HA H 76 4.819 4.819 4.757 0.062 19910 6809 1 13 . 1 1 76 76 LEU CA C 76 50.530 50.530 51.925 -1.395 19910 6810 1 13 . 1 1 76 76 LEU CB C 76 43.070 43.070 44.718 -1.648 19910 6811 1 13 . 1 1 76 76 LEU H H 76 9.300 9.300 7.990 1.310 19910 6812 1 13 . 1 1 77 77 PRO HA H 77 4.114 4.114 4.648 -0.534 19910 6813 1 13 . 1 1 77 77 PRO C C 77 176.430 176.430 176.466 -0.036 19910 6814 1 13 . 1 1 77 77 PRO CA C 77 62.080 62.080 61.714 0.366 19910 6815 1 13 . 1 1 77 77 PRO CB C 77 31.220 31.220 32.464 -1.244 19910 6816 1 13 . 1 1 78 78 LYS N N 78 122.800 122.800 120.145 2.655 19910 6817 1 13 . 1 1 78 78 LYS HA H 78 4.062 4.062 4.382 -0.320 19910 6818 1 13 . 1 1 78 78 LYS C C 78 176.590 176.590 176.689 -0.099 19910 6819 1 13 . 1 1 78 78 LYS CA C 78 57.730 57.730 54.825 2.905 19910 6820 1 13 . 1 1 78 78 LYS CB C 78 32.800 32.800 33.325 -0.525 19910 6821 1 13 . 1 1 78 78 LYS H H 78 7.790 7.790 7.657 0.133 19910 6822 1 13 . 1 1 79 79 GLU N N 79 124.540 124.540 122.059 2.481 19910 6823 1 13 . 1 1 79 79 GLU HA H 79 3.689 3.689 4.209 -0.520 19910 6824 1 13 . 1 1 79 79 GLU C C 79 176.300 176.300 176.108 0.192 19910 6825 1 13 . 1 1 79 79 GLU CA C 79 59.420 59.420 58.350 1.070 19910 6826 1 13 . 1 1 79 79 GLU CB C 79 30.500 30.500 30.172 0.328 19910 6827 1 13 . 1 1 79 79 GLU H H 79 8.520 8.520 8.756 -0.236 19910 6828 1 13 . 1 1 80 80 THR N N 80 115.960 115.960 116.229 -0.269 19910 6829 1 13 . 1 1 80 80 THR HA H 80 4.485 4.485 4.715 -0.230 19910 6830 1 13 . 1 1 80 80 THR CA C 80 59.120 59.120 59.119 0.001 19910 6831 1 13 . 1 1 80 80 THR CB C 80 69.330 69.330 69.917 -0.587 19910 6832 1 13 . 1 1 80 80 THR H H 80 9.070 9.070 7.553 1.517 19910 6833 1 13 . 1 1 81 81 PRO HA H 81 4.070 4.070 4.000 0.070 19910 6834 1 13 . 1 1 81 81 PRO C C 81 177.860 177.860 177.615 0.245 19910 6835 1 13 . 1 1 81 81 PRO CA C 81 63.900 63.900 63.854 0.046 19910 6836 1 13 . 1 1 81 81 PRO CB C 81 31.460 31.460 31.959 -0.499 19910 6837 1 13 . 1 1 82 82 GLY N N 82 113.580 113.580 112.256 1.324 19910 6838 1 13 . 1 1 82 82 GLY C C 82 174.870 174.870 174.208 0.662 19910 6839 1 13 . 1 1 82 82 GLY CA C 82 45.140 45.140 45.243 -0.103 19910 6840 1 13 . 1 1 82 82 GLY H H 82 9.150 9.150 8.332 0.818 19910 6841 1 13 . 1 1 83 83 GLN N N 83 122.820 122.820 120.059 2.761 19910 6842 1 13 . 1 1 83 83 GLN HA H 83 4.159 4.159 4.290 -0.131 19910 6843 1 13 . 1 1 83 83 GLN C C 83 175.180 175.180 175.057 0.123 19910 6844 1 13 . 1 1 83 83 GLN CA C 83 56.390 56.390 55.667 0.723 19910 6845 1 13 . 1 1 83 83 GLN CB C 83 29.410 29.410 30.016 -0.606 19910 6846 1 13 . 1 1 83 83 GLN H H 83 7.960 7.960 7.541 0.419 19910 6847 1 13 . 1 1 84 84 HIS N N 84 131.340 131.340 126.144 5.196 19910 6848 1 13 . 1 1 84 84 HIS HA H 84 4.299 4.299 4.763 -0.464 19910 6849 1 13 . 1 1 84 84 HIS C C 84 175.300 175.300 174.018 1.282 19910 6850 1 13 . 1 1 84 84 HIS CA C 84 56.640 56.640 54.785 1.855 19910 6851 1 13 . 1 1 84 84 HIS CB C 84 30.980 30.980 32.720 -1.740 19910 6852 1 13 . 1 1 84 84 HIS H H 84 9.220 9.220 8.566 0.654 19910 6853 1 13 . 1 1 85 85 PHE N N 85 130.320 130.320 126.014 4.306 19910 6854 1 13 . 1 1 85 85 PHE HA H 85 4.722 4.722 4.532 0.190 19910 6855 1 13 . 1 1 85 85 PHE C C 85 174.890 174.890 175.293 -0.403 19910 6856 1 13 . 1 1 85 85 PHE CA C 85 54.580 54.580 55.045 -0.465 19910 6857 1 13 . 1 1 85 85 PHE CB C 85 36.430 36.430 37.512 -1.082 19910 6858 1 13 . 1 1 85 85 PHE H H 85 9.130 9.130 8.626 0.504 19910 6859 1 13 . 1 1 86 86 GLU N N 86 126.010 126.010 123.194 2.816 19910 6860 1 13 . 1 1 86 86 GLU HA H 86 4.199 4.199 4.343 -0.144 19910 6861 1 13 . 1 1 86 86 GLU C C 86 177.000 177.000 177.211 -0.211 19910 6862 1 13 . 1 1 86 86 GLU CA C 86 55.910 55.910 56.272 -0.362 19910 6863 1 13 . 1 1 86 86 GLU CB C 86 30.620 30.620 30.372 0.248 19910 6864 1 13 . 1 1 86 86 GLU H H 86 8.900 8.900 7.681 1.219 19910 6865 1 13 . 1 1 87 87 GLY N N 87 108.540 108.540 107.257 1.283 19910 6866 1 13 . 1 1 87 87 GLY C C 87 177.370 177.370 175.249 2.121 19910 6867 1 13 . 1 1 87 87 GLY CA C 87 46.590 46.590 46.229 0.361 19910 6868 1 13 . 1 1 87 87 GLY H H 87 8.610 8.610 8.753 -0.143 19910 6869 1 13 . 1 1 88 88 LEU N N 88 119.830 119.830 119.315 0.515 19910 6870 1 13 . 1 1 88 88 LEU HA H 88 3.775 3.775 4.026 -0.251 19910 6871 1 13 . 1 1 88 88 LEU C C 88 177.500 177.500 178.056 -0.556 19910 6872 1 13 . 1 1 88 88 LEU CA C 88 57.850 57.850 57.543 0.307 19910 6873 1 13 . 1 1 88 88 LEU CB C 88 40.780 40.780 42.150 -1.370 19910 6874 1 13 . 1 1 88 88 LEU H H 88 8.370 8.370 7.901 0.469 19910 6875 1 13 . 1 1 89 89 ASN N N 89 112.390 112.390 115.657 -3.267 19910 6876 1 13 . 1 1 89 89 ASN HA H 89 4.524 4.524 4.632 -0.108 19910 6877 1 13 . 1 1 89 89 ASN C C 89 175.440 175.440 175.221 0.219 19910 6878 1 13 . 1 1 89 89 ASN CA C 89 54.340 54.340 54.909 -0.569 19910 6879 1 13 . 1 1 89 89 ASN CB C 89 37.030 37.030 37.757 -0.727 19910 6880 1 13 . 1 1 89 89 ASN H H 89 8.470 8.470 8.384 0.086 19910 6881 1 13 . 1 1 90 90 MET N N 90 117.460 117.460 117.241 0.219 19910 6882 1 13 . 1 1 90 90 MET HA H 90 4.626 4.626 4.541 0.085 19910 6883 1 13 . 1 1 90 90 MET C C 90 176.040 176.040 175.308 0.732 19910 6884 1 13 . 1 1 90 90 MET CA C 90 54.340 54.340 54.859 -0.519 19910 6885 1 13 . 1 1 90 90 MET CB C 90 32.550 32.550 32.890 -0.340 19910 6886 1 13 . 1 1 90 90 MET H H 90 7.460 7.460 7.279 0.181 19910 6887 1 13 . 1 1 91 91 LEU N N 91 121.330 121.330 118.434 2.896 19910 6888 1 13 . 1 1 91 91 LEU HA H 91 4.277 4.277 4.801 -0.524 19910 6889 1 13 . 1 1 91 91 LEU C C 91 176.870 176.870 175.923 0.947 19910 6890 1 13 . 1 1 91 91 LEU CA C 91 56.390 56.390 54.475 1.915 19910 6891 1 13 . 1 1 91 91 LEU CB C 91 42.480 42.480 43.316 -0.837 19910 6892 1 13 . 1 1 91 91 LEU H H 91 7.280 7.280 7.524 -0.244 19910 6893 1 13 . 1 1 92 92 THR N N 92 113.970 113.970 111.339 2.631 19910 6894 1 13 . 1 1 92 92 THR HA H 92 4.582 4.582 4.543 0.039 19910 6895 1 13 . 1 1 92 92 THR C C 92 173.180 173.180 172.804 0.376 19910 6896 1 13 . 1 1 92 92 THR CA C 92 60.390 60.390 60.418 -0.028 19910 6897 1 13 . 1 1 92 92 THR CB C 92 71.160 71.160 71.192 -0.032 19910 6898 1 13 . 1 1 92 92 THR H H 92 8.110 8.110 8.118 -0.008 19910 6899 1 13 . 1 1 93 93 ALA N N 93 124.650 124.650 125.025 -0.375 19910 6900 1 13 . 1 1 93 93 ALA HA H 93 4.245 4.245 4.748 -0.503 19910 6901 1 13 . 1 1 93 93 ALA C C 93 177.650 177.650 177.364 0.286 19910 6902 1 13 . 1 1 93 93 ALA CA C 93 52.640 52.640 51.461 1.179 19910 6903 1 13 . 1 1 93 93 ALA CB C 93 19.670 19.670 19.630 0.040 19910 6904 1 13 . 1 1 93 93 ALA H H 93 8.430 8.430 8.334 0.097 19910 6905 1 13 . 1 1 94 94 LEU N N 94 123.150 123.150 121.877 1.273 19910 6906 1 13 . 1 1 94 94 LEU HA H 94 4.450 4.450 4.736 -0.286 19910 6907 1 13 . 1 1 94 94 LEU C C 94 177.420 177.420 176.507 0.913 19910 6908 1 13 . 1 1 94 94 LEU CA C 94 54.940 54.940 53.976 0.964 19910 6909 1 13 . 1 1 94 94 LEU CB C 94 42.480 42.480 42.943 -0.463 19910 6910 1 13 . 1 1 94 94 LEU H H 94 8.450 8.450 8.369 0.081 19910 6911 1 13 . 1 1 95 95 LEU N N 95 124.390 124.390 124.974 -0.584 19910 6912 1 13 . 1 1 95 95 LEU HA H 95 4.409 4.409 4.437 -0.028 19910 6913 1 13 . 1 1 95 95 LEU C C 95 175.990 175.990 177.366 -1.376 19910 6914 1 13 . 1 1 95 95 LEU CA C 95 55.060 55.060 54.927 0.133 19910 6915 1 13 . 1 1 95 95 LEU CB C 95 42.360 42.360 41.212 1.147 19910 6916 1 13 . 1 1 95 95 LEU H H 95 8.380 8.380 8.537 -0.157 19910 6917 1 14 . 1 1 2 2 LEU N N 2 123.170 123.170 125.448 -2.278 19910 6918 1 14 . 1 1 2 2 LEU HA H 2 4.588 4.588 4.792 -0.204 19910 6919 1 14 . 1 1 2 2 LEU C C 2 176.260 176.260 176.625 -0.365 19910 6920 1 14 . 1 1 2 2 LEU CA C 2 53.730 53.730 55.167 -1.437 19910 6921 1 14 . 1 1 2 2 LEU CB C 2 44.290 44.290 43.833 0.457 19910 6922 1 14 . 1 1 2 2 LEU H H 2 8.690 8.690 8.258 0.432 19910 6923 1 14 . 1 1 3 3 THR N N 3 120.960 120.960 119.567 1.393 19910 6924 1 14 . 1 1 3 3 THR HA H 3 5.193 5.193 4.513 0.680 19910 6925 1 14 . 1 1 3 3 THR CA C 3 59.990 59.990 61.055 -1.065 19910 6926 1 14 . 1 1 3 3 THR CB C 3 69.950 69.950 68.781 1.169 19910 6927 1 14 . 1 1 3 3 THR H H 3 8.850 8.850 8.308 0.542 19910 6928 1 14 . 1 1 4 4 PRO HA H 4 4.718 4.718 4.298 0.420 19910 6929 1 14 . 1 1 4 4 PRO C C 4 175.870 175.870 176.703 -0.833 19910 6930 1 14 . 1 1 4 4 PRO CA C 4 62.080 62.080 62.505 -0.425 19910 6931 1 14 . 1 1 4 4 PRO CB C 4 31.950 31.950 32.237 -0.287 19910 6932 1 14 . 1 1 5 5 ALA N N 5 122.560 122.560 126.890 -4.330 19910 6933 1 14 . 1 1 5 5 ALA HA H 5 4.348 4.348 4.275 0.073 19910 6934 1 14 . 1 1 5 5 ALA C C 5 176.360 176.360 176.863 -0.503 19910 6935 1 14 . 1 1 5 5 ALA CA C 5 52.280 52.280 51.430 0.850 19910 6936 1 14 . 1 1 5 5 ALA CB C 5 18.880 18.880 17.241 1.639 19910 6937 1 14 . 1 1 5 5 ALA H H 5 8.400 8.400 8.275 0.125 19910 6938 1 14 . 1 1 6 6 PHE N N 6 115.160 115.160 119.491 -4.331 19910 6939 1 14 . 1 1 6 6 PHE HA H 6 5.537 5.537 4.434 1.103 19910 6940 1 14 . 1 1 6 6 PHE C C 6 172.590 172.590 174.626 -2.036 19910 6941 1 14 . 1 1 6 6 PHE CA C 6 55.430 55.430 57.030 -1.600 19910 6942 1 14 . 1 1 6 6 PHE CB C 6 42.240 42.240 39.727 2.513 19910 6943 1 14 . 1 1 6 6 PHE H H 6 7.740 7.740 7.981 -0.241 19910 6944 1 14 . 1 1 7 7 ASP N N 7 118.960 118.960 119.912 -0.952 19910 6945 1 14 . 1 1 7 7 ASP HA H 7 4.813 4.813 4.747 0.066 19910 6946 1 14 . 1 1 7 7 ASP C C 7 174.530 174.530 173.969 0.561 19910 6947 1 14 . 1 1 7 7 ASP CA C 7 53.370 53.370 53.546 -0.176 19910 6948 1 14 . 1 1 7 7 ASP CB C 7 45.380 45.380 44.843 0.537 19910 6949 1 14 . 1 1 7 7 ASP H H 7 8.910 8.910 8.375 0.535 19910 6950 1 14 . 1 1 8 8 LEU N N 8 123.470 123.470 121.484 1.986 19910 6951 1 14 . 1 1 8 8 LEU HA H 8 5.284 5.284 4.567 0.717 19910 6952 1 14 . 1 1 8 8 LEU C C 8 175.420 175.420 176.342 -0.922 19910 6953 1 14 . 1 1 8 8 LEU CA C 8 53.850 53.850 53.954 -0.104 19910 6954 1 14 . 1 1 8 8 LEU CB C 8 45.620 45.620 43.942 1.678 19910 6955 1 14 . 1 1 8 8 LEU H H 8 8.750 8.750 8.396 0.354 19910 6956 1 14 . 1 1 9 9 SER N N 9 115.920 115.920 118.752 -2.832 19910 6957 1 14 . 1 1 9 9 SER HA H 9 4.486 4.486 4.776 -0.289 19910 6958 1 14 . 1 1 9 9 SER C C 9 171.680 171.680 172.366 -0.686 19910 6959 1 14 . 1 1 9 9 SER CA C 9 57.000 57.000 57.478 -0.478 19910 6960 1 14 . 1 1 9 9 SER CB C 9 65.590 65.590 65.385 0.205 19910 6961 1 14 . 1 1 9 9 SER H H 9 8.860 8.860 8.677 0.183 19910 6962 1 14 . 1 1 10 10 GLN N N 10 115.230 115.230 121.831 -6.601 19910 6963 1 14 . 1 1 10 10 GLN HA H 10 5.375 5.375 4.510 0.865 19910 6964 1 14 . 1 1 10 10 GLN C C 10 172.130 172.130 173.347 -1.217 19910 6965 1 14 . 1 1 10 10 GLN CA C 10 54.270 54.270 54.563 -0.293 19910 6966 1 14 . 1 1 10 10 GLN CB C 10 32.990 32.990 31.461 1.529 19910 6967 1 14 . 1 1 10 10 GLN H H 10 8.800 8.800 8.415 0.385 19910 6968 1 14 . 1 1 11 11 ASP N N 11 124.270 124.270 122.726 1.544 19910 6969 1 14 . 1 1 11 11 ASP HA H 11 4.768 4.768 5.114 -0.346 19910 6970 1 14 . 1 1 11 11 ASP CA C 11 52.530 52.530 51.362 1.168 19910 6971 1 14 . 1 1 11 11 ASP CB C 11 42.200 42.200 43.408 -1.208 19910 6972 1 14 . 1 1 11 11 ASP H H 11 8.680 8.680 8.310 0.370 19910 6973 1 14 . 1 1 12 12 PRO HA H 12 4.050 4.050 4.367 -0.317 19910 6974 1 14 . 1 1 12 12 PRO C C 12 175.290 175.290 175.815 -0.525 19910 6975 1 14 . 1 1 12 12 PRO CA C 12 66.920 66.920 64.906 2.014 19910 6976 1 14 . 1 1 12 12 PRO CB C 12 31.950 31.950 32.091 -0.141 19910 6977 1 14 . 1 1 13 13 ASP N N 13 110.550 110.550 114.806 -4.256 19910 6978 1 14 . 1 1 13 13 ASP HA H 13 4.632 4.632 4.711 -0.079 19910 6979 1 14 . 1 1 13 13 ASP C C 13 176.480 176.480 174.082 2.398 19910 6980 1 14 . 1 1 13 13 ASP CA C 13 54.940 54.940 53.318 1.622 19910 6981 1 14 . 1 1 13 13 ASP CB C 13 44.410 44.410 41.589 2.821 19910 6982 1 14 . 1 1 13 13 ASP H H 13 7.990 7.990 8.502 -0.512 19910 6983 1 14 . 1 1 14 14 PHE N N 14 118.880 118.880 116.261 2.619 19910 6984 1 14 . 1 1 14 14 PHE HA H 14 5.049 5.049 4.977 0.072 19910 6985 1 14 . 1 1 14 14 PHE C C 14 174.690 174.690 173.369 1.321 19910 6986 1 14 . 1 1 14 14 PHE CA C 14 57.600 57.600 57.295 0.305 19910 6987 1 14 . 1 1 14 14 PHE CB C 14 42.960 42.960 42.773 0.188 19910 6988 1 14 . 1 1 14 14 PHE H H 14 8.390 8.390 8.077 0.313 19910 6989 1 14 . 1 1 15 15 LEU N N 15 123.990 123.990 121.774 2.216 19910 6990 1 14 . 1 1 15 15 LEU HA H 15 4.613 4.613 4.768 -0.155 19910 6991 1 14 . 1 1 15 15 LEU C C 15 174.780 174.780 175.056 -0.276 19910 6992 1 14 . 1 1 15 15 LEU CA C 15 53.250 53.250 54.231 -0.981 19910 6993 1 14 . 1 1 15 15 LEU CB C 15 45.020 45.020 43.544 1.476 19910 6994 1 14 . 1 1 15 15 LEU H H 15 9.200 9.200 9.018 0.182 19910 6995 1 14 . 1 1 16 16 THR N N 16 122.960 122.960 123.925 -0.965 19910 6996 1 14 . 1 1 16 16 THR HA H 16 4.849 4.849 4.887 -0.038 19910 6997 1 14 . 1 1 16 16 THR C C 16 172.810 172.810 173.581 -0.771 19910 6998 1 14 . 1 1 16 16 THR CA C 16 62.690 62.690 62.038 0.652 19910 6999 1 14 . 1 1 16 16 THR CB C 16 69.340 69.340 70.451 -1.111 19910 7000 1 14 . 1 1 16 16 THR H H 16 9.000 9.000 8.694 0.306 19910 7001 1 14 . 1 1 17 17 ILE N N 17 126.630 126.630 123.317 3.313 19910 7002 1 14 . 1 1 17 17 ILE HA H 17 4.439 4.439 4.233 0.206 19910 7003 1 14 . 1 1 17 17 ILE C C 17 172.580 172.580 173.539 -0.959 19910 7004 1 14 . 1 1 17 17 ILE CA C 17 60.030 60.030 59.327 0.703 19910 7005 1 14 . 1 1 17 17 ILE CB C 17 39.450 39.450 41.270 -1.820 19910 7006 1 14 . 1 1 17 17 ILE H H 17 8.680 8.680 8.219 0.461 19910 7007 1 14 . 1 1 18 18 ALA N N 18 130.190 130.190 125.652 4.538 19910 7008 1 14 . 1 1 18 18 ALA HA H 18 5.215 5.215 5.483 -0.268 19910 7009 1 14 . 1 1 18 18 ALA C C 18 176.660 176.660 176.265 0.395 19910 7010 1 14 . 1 1 18 18 ALA CA C 18 49.980 49.980 49.960 0.020 19910 7011 1 14 . 1 1 18 18 ALA CB C 18 20.570 20.570 21.519 -0.949 19910 7012 1 14 . 1 1 18 18 ALA H H 18 8.490 8.490 8.357 0.133 19910 7013 1 14 . 1 1 19 19 ILE N N 19 124.920 124.920 124.234 0.686 19910 7014 1 14 . 1 1 19 19 ILE HA H 19 4.307 4.307 4.322 -0.015 19910 7015 1 14 . 1 1 19 19 ILE C C 19 174.710 174.710 174.676 0.034 19910 7016 1 14 . 1 1 19 19 ILE CA C 19 60.990 60.990 60.211 0.779 19910 7017 1 14 . 1 1 19 19 ILE CB C 19 40.900 40.900 41.013 -0.113 19910 7018 1 14 . 1 1 19 19 ILE H H 19 9.590 9.590 8.929 0.661 19910 7019 1 14 . 1 1 20 20 ARG N N 20 128.960 128.960 129.418 -0.458 19910 7020 1 14 . 1 1 20 20 ARG HA H 20 4.642 4.642 4.441 0.201 19910 7021 1 14 . 1 1 20 20 ARG C C 20 174.890 174.890 174.918 -0.028 19910 7022 1 14 . 1 1 20 20 ARG CA C 20 56.030 56.030 55.768 0.262 19910 7023 1 14 . 1 1 20 20 ARG CB C 20 29.530 29.530 30.641 -1.111 19910 7024 1 14 . 1 1 20 20 ARG H H 20 8.600 8.600 8.694 -0.094 19910 7025 1 14 . 1 1 21 21 VAL N N 21 120.400 120.400 122.741 -2.341 19910 7026 1 14 . 1 1 21 21 VAL HA H 21 4.010 4.010 4.284 -0.274 19910 7027 1 14 . 1 1 21 21 VAL C C 21 174.950 174.950 175.072 -0.122 19910 7028 1 14 . 1 1 21 21 VAL CA C 21 59.420 59.420 61.108 -1.688 19910 7029 1 14 . 1 1 21 21 VAL CB C 21 33.280 33.280 34.098 -0.818 19910 7030 1 14 . 1 1 21 21 VAL H H 21 8.020 8.020 8.371 -0.351 19910 7031 1 14 . 1 1 22 22 SER N N 22 118.050 118.050 122.598 -4.548 19910 7032 1 14 . 1 1 22 22 SER HA H 22 4.540 4.540 4.753 -0.213 19910 7033 1 14 . 1 1 22 22 SER C C 22 174.110 174.110 175.844 -1.734 19910 7034 1 14 . 1 1 22 22 SER CA C 22 59.540 59.540 60.162 -0.622 19910 7035 1 14 . 1 1 22 22 SER CB C 22 63.600 63.600 63.589 0.011 19910 7036 1 14 . 1 1 22 22 SER H H 22 7.770 7.770 8.769 -0.999 19910 7037 1 14 . 1 1 23 23 TYR N N 23 120.870 120.870 121.876 -1.006 19910 7038 1 14 . 1 1 23 23 TYR HA H 23 4.493 4.493 4.468 0.025 19910 7039 1 14 . 1 1 23 23 TYR C C 23 175.310 175.310 175.358 -0.048 19910 7040 1 14 . 1 1 23 23 TYR CA C 23 58.210 58.210 58.256 -0.046 19910 7041 1 14 . 1 1 23 23 TYR CB C 23 37.880 37.880 38.311 -0.431 19910 7042 1 14 . 1 1 23 23 TYR H H 23 8.300 8.300 8.453 -0.153 19910 7043 1 14 . 1 1 24 24 ALA N N 24 122.670 122.670 121.829 0.841 19910 7044 1 14 . 1 1 24 24 ALA HA H 24 4.303 4.303 4.084 0.219 19910 7045 1 14 . 1 1 24 24 ALA C C 24 177.160 177.160 177.639 -0.479 19910 7046 1 14 . 1 1 24 24 ALA CA C 24 52.520 52.520 52.785 -0.265 19910 7047 1 14 . 1 1 24 24 ALA CB C 24 19.730 19.730 18.700 1.030 19910 7048 1 14 . 1 1 24 24 ALA H H 24 7.910 7.910 8.207 -0.297 19910 7049 1 14 . 1 1 25 25 ARG N N 25 119.060 119.060 123.769 -4.709 19910 7050 1 14 . 1 1 25 25 ARG HA H 25 4.346 4.346 4.276 0.070 19910 7051 1 14 . 1 1 25 25 ARG C C 25 175.830 175.830 175.666 0.164 19910 7052 1 14 . 1 1 25 25 ARG CA C 25 55.550 55.550 56.721 -1.171 19910 7053 1 14 . 1 1 25 25 ARG CB C 25 30.500 30.500 30.775 -0.275 19910 7054 1 14 . 1 1 25 25 ARG H H 25 8.220 8.220 8.556 -0.336 19910 7055 1 14 . 1 1 26 26 VAL N N 26 118.660 118.660 113.407 5.253 19910 7056 1 14 . 1 1 26 26 VAL HA H 26 3.454 3.454 4.327 -0.873 19910 7057 1 14 . 1 1 26 26 VAL C C 26 175.700 175.700 175.318 0.382 19910 7058 1 14 . 1 1 26 26 VAL CA C 26 61.960 61.960 60.302 1.658 19910 7059 1 14 . 1 1 26 26 VAL CB C 26 32.800 32.800 34.105 -1.305 19910 7060 1 14 . 1 1 26 26 VAL H H 26 7.650 7.650 7.370 0.280 19910 7061 1 14 . 1 1 27 27 SER N N 27 116.090 116.090 120.045 -3.955 19910 7062 1 14 . 1 1 27 27 SER HA H 27 4.183 4.183 4.223 -0.040 19910 7063 1 14 . 1 1 27 27 SER C C 27 173.750 173.750 175.080 -1.330 19910 7064 1 14 . 1 1 27 27 SER CA C 27 58.570 58.570 60.344 -1.774 19910 7065 1 14 . 1 1 27 27 SER CB C 27 63.530 63.530 63.407 0.122 19910 7066 1 14 . 1 1 27 27 SER H H 27 8.180 8.180 8.633 -0.453 19910 7067 1 14 . 1 1 28 28 GLU N N 28 120.070 120.070 119.356 0.714 19910 7068 1 14 . 1 1 28 28 GLU HA H 28 4.203 4.203 3.876 0.327 19910 7069 1 14 . 1 1 28 28 GLU C C 28 174.790 174.790 175.425 -0.635 19910 7070 1 14 . 1 1 28 28 GLU CA C 28 55.550 55.550 55.168 0.382 19910 7071 1 14 . 1 1 28 28 GLU CB C 28 30.620 30.620 30.889 -0.269 19910 7072 1 14 . 1 1 28 28 GLU H H 28 7.400 7.400 7.757 -0.357 19910 7073 1 14 . 1 1 29 29 PHE N N 29 120.340 120.340 121.079 -0.739 19910 7074 1 14 . 1 1 29 29 PHE HA H 29 4.487 4.487 4.456 0.031 19910 7075 1 14 . 1 1 29 29 PHE C C 29 174.580 174.580 175.700 -1.120 19910 7076 1 14 . 1 1 29 29 PHE CA C 29 55.790 55.790 54.918 0.872 19910 7077 1 14 . 1 1 29 29 PHE CB C 29 39.690 39.690 39.508 0.182 19910 7078 1 14 . 1 1 29 29 PHE H H 29 7.820 7.820 7.461 0.359 19910 7079 1 14 . 1 1 30 30 ASP N N 30 123.670 123.670 121.535 2.135 19910 7080 1 14 . 1 1 30 30 ASP HA H 30 4.817 4.817 4.641 0.176 19910 7081 1 14 . 1 1 30 30 ASP C C 30 174.040 174.040 174.177 -0.137 19910 7082 1 14 . 1 1 30 30 ASP CA C 30 53.850 53.850 53.623 0.227 19910 7083 1 14 . 1 1 30 30 ASP CB C 30 43.450 43.450 41.530 1.920 19910 7084 1 14 . 1 1 30 30 ASP H H 30 8.420 8.420 8.182 0.238 19910 7085 1 14 . 1 1 31 31 VAL N N 31 123.010 123.010 123.051 -0.041 19910 7086 1 14 . 1 1 31 31 VAL HA H 31 4.768 4.768 4.511 0.257 19910 7087 1 14 . 1 1 31 31 VAL C C 31 173.980 173.980 175.080 -1.100 19910 7088 1 14 . 1 1 31 31 VAL CA C 31 60.510 60.510 61.067 -0.557 19910 7089 1 14 . 1 1 31 31 VAL CB C 31 34.730 34.730 32.706 2.024 19910 7090 1 14 . 1 1 31 31 VAL H H 31 8.270 8.270 8.355 -0.085 19910 7091 1 14 . 1 1 32 32 TYR N N 32 127.340 127.340 127.797 -0.457 19910 7092 1 14 . 1 1 32 32 TYR HA H 32 4.624 4.624 4.887 -0.263 19910 7093 1 14 . 1 1 32 32 TYR C C 32 172.990 172.990 174.055 -1.065 19910 7094 1 14 . 1 1 32 32 TYR CA C 32 56.520 56.520 55.851 0.669 19910 7095 1 14 . 1 1 32 32 TYR CB C 32 41.870 41.870 40.176 1.694 19910 7096 1 14 . 1 1 32 32 TYR H H 32 8.920 8.920 8.522 0.398 19910 7097 1 14 . 1 1 33 33 PHE N N 33 121.160 121.160 120.692 0.468 19910 7098 1 14 . 1 1 33 33 PHE HA H 33 5.106 5.106 5.978 -0.872 19910 7099 1 14 . 1 1 33 33 PHE C C 33 173.100 173.100 174.721 -1.621 19910 7100 1 14 . 1 1 33 33 PHE CA C 33 55.310 55.310 55.427 -0.117 19910 7101 1 14 . 1 1 33 33 PHE CB C 33 40.420 40.420 42.545 -2.125 19910 7102 1 14 . 1 1 33 33 PHE H H 33 7.510 7.510 8.569 -1.059 19910 7103 1 14 . 1 1 34 34 GLU N N 34 120.460 120.460 123.060 -2.600 19910 7104 1 14 . 1 1 34 34 GLU HA H 34 4.099 4.099 4.682 -0.583 19910 7105 1 14 . 1 1 34 34 GLU C C 34 175.700 175.700 176.503 -0.803 19910 7106 1 14 . 1 1 34 34 GLU CA C 34 56.640 56.640 55.133 1.507 19910 7107 1 14 . 1 1 34 34 GLU CB C 34 31.340 31.340 31.346 -0.006 19910 7108 1 14 . 1 1 34 34 GLU H H 34 8.190 8.190 8.414 -0.224 19910 7109 1 14 . 1 1 35 35 GLY N N 35 117.400 117.400 116.284 1.116 19910 7110 1 14 . 1 1 35 35 GLY C C 35 173.120 173.120 174.484 -1.364 19910 7111 1 14 . 1 1 35 35 GLY CA C 35 47.680 47.680 47.487 0.193 19910 7112 1 14 . 1 1 35 35 GLY H H 35 9.240 9.240 9.154 0.086 19910 7113 1 14 . 1 1 36 36 SER N N 36 122.510 122.510 116.615 5.895 19910 7114 1 14 . 1 1 36 36 SER HA H 36 4.795 4.795 4.780 0.015 19910 7115 1 14 . 1 1 36 36 SER C C 36 172.680 172.680 172.506 0.174 19910 7116 1 14 . 1 1 36 36 SER CA C 36 57.360 57.360 58.242 -0.882 19910 7117 1 14 . 1 1 36 36 SER CB C 36 64.500 64.500 64.945 -0.446 19910 7118 1 14 . 1 1 36 36 SER H H 36 8.930 8.930 8.456 0.474 19910 7119 1 14 . 1 1 37 37 ASP N N 37 123.120 123.120 124.192 -1.072 19910 7120 1 14 . 1 1 37 37 ASP HA H 37 5.192 5.192 5.087 0.105 19910 7121 1 14 . 1 1 37 37 ASP C C 37 174.170 174.170 174.124 0.046 19910 7122 1 14 . 1 1 37 37 ASP CA C 37 54.340 54.340 53.586 0.754 19910 7123 1 14 . 1 1 37 37 ASP CB C 37 43.810 43.810 42.152 1.658 19910 7124 1 14 . 1 1 37 37 ASP H H 37 8.600 8.600 8.049 0.551 19910 7125 1 14 . 1 1 38 38 PHE N N 38 122.850 122.850 126.959 -4.109 19910 7126 1 14 . 1 1 38 38 PHE HA H 38 5.053 5.053 5.200 -0.147 19910 7127 1 14 . 1 1 38 38 PHE C C 38 172.810 172.810 173.540 -0.730 19910 7128 1 14 . 1 1 38 38 PHE CA C 38 57.000 57.000 56.758 0.242 19910 7129 1 14 . 1 1 38 38 PHE CB C 38 43.080 43.080 41.203 1.877 19910 7130 1 14 . 1 1 38 38 PHE H H 38 8.340 8.340 8.948 -0.608 19910 7131 1 14 . 1 1 39 39 LYS N N 39 126.630 126.630 129.016 -2.386 19910 7132 1 14 . 1 1 39 39 LYS HA H 39 4.816 4.816 4.646 0.170 19910 7133 1 14 . 1 1 39 39 LYS C C 39 172.540 172.540 174.074 -1.534 19910 7134 1 14 . 1 1 39 39 LYS CA C 39 54.890 54.890 54.671 0.219 19910 7135 1 14 . 1 1 39 39 LYS CB C 39 36.790 36.790 34.493 2.297 19910 7136 1 14 . 1 1 39 39 LYS H H 39 8.690 8.690 8.865 -0.175 19910 7137 1 14 . 1 1 40 40 PHE N N 40 123.910 123.910 126.009 -2.099 19910 7138 1 14 . 1 1 40 40 PHE HA H 40 4.923 4.923 5.129 -0.206 19910 7139 1 14 . 1 1 40 40 PHE C C 40 171.900 171.900 173.080 -1.180 19910 7140 1 14 . 1 1 40 40 PHE CA C 40 55.910 55.910 55.127 0.783 19910 7141 1 14 . 1 1 40 40 PHE CB C 40 43.450 43.450 42.694 0.756 19910 7142 1 14 . 1 1 40 40 PHE H H 40 8.750 8.750 8.593 0.157 19910 7143 1 14 . 1 1 41 41 TYR N N 41 126.490 126.490 125.884 0.606 19910 7144 1 14 . 1 1 41 41 TYR HA H 41 4.958 4.958 5.128 -0.170 19910 7145 1 14 . 1 1 41 41 TYR C C 41 173.070 173.070 174.164 -1.094 19910 7146 1 14 . 1 1 41 41 TYR CA C 41 55.670 55.670 55.694 -0.024 19910 7147 1 14 . 1 1 41 41 TYR CB C 41 41.510 41.510 40.368 1.142 19910 7148 1 14 . 1 1 41 41 TYR H H 41 8.450 8.450 7.974 0.476 19910 7149 1 14 . 1 1 42 42 ALA N N 42 129.720 129.720 124.850 4.870 19910 7150 1 14 . 1 1 42 42 ALA HA H 42 4.024 4.024 4.747 -0.723 19910 7151 1 14 . 1 1 42 42 ALA C C 42 174.350 174.350 176.127 -1.777 19910 7152 1 14 . 1 1 42 42 ALA CA C 42 51.190 51.190 50.589 0.601 19910 7153 1 14 . 1 1 42 42 ALA CB C 42 20.330 20.330 19.873 0.457 19910 7154 1 14 . 1 1 42 42 ALA H H 42 7.970 7.970 8.854 -0.884 19910 7155 1 14 . 1 1 43 43 LYS N N 43 124.250 124.250 118.527 5.723 19910 7156 1 14 . 1 1 43 43 LYS HA H 43 3.634 3.634 4.067 -0.433 19910 7157 1 14 . 1 1 43 43 LYS CA C 43 56.260 56.260 58.172 -1.912 19910 7158 1 14 . 1 1 43 43 LYS CB C 43 32.860 32.860 29.485 3.375 19910 7159 1 14 . 1 1 43 43 LYS H H 43 7.850 7.850 8.201 -0.351 19910 7160 1 14 . 1 1 44 44 PRO HA H 44 4.487 4.487 4.297 0.190 19910 7161 1 14 . 1 1 44 44 PRO C C 44 173.980 173.980 174.957 -0.977 19910 7162 1 14 . 1 1 44 44 PRO CA C 44 64.380 64.380 63.559 0.821 19910 7163 1 14 . 1 1 44 44 PRO CB C 44 34.010 34.010 32.029 1.980 19910 7164 1 14 . 1 1 45 45 TYR N N 45 126.840 126.840 119.543 7.297 19910 7165 1 14 . 1 1 45 45 TYR HA H 45 5.274 5.274 4.149 1.125 19910 7166 1 14 . 1 1 45 45 TYR C C 45 175.290 175.290 173.691 1.599 19910 7167 1 14 . 1 1 45 45 TYR CA C 45 58.330 58.330 55.627 2.703 19910 7168 1 14 . 1 1 45 45 TYR CB C 45 40.300 40.300 38.689 1.611 19910 7169 1 14 . 1 1 45 45 TYR H H 45 9.360 9.360 7.224 2.136 19910 7170 1 14 . 1 1 46 46 PHE N N 46 121.470 121.470 121.740 -0.270 19910 7171 1 14 . 1 1 46 46 PHE HA H 46 5.422 5.422 5.674 -0.252 19910 7172 1 14 . 1 1 46 46 PHE C C 46 173.180 173.180 174.970 -1.790 19910 7173 1 14 . 1 1 46 46 PHE CA C 46 56.520 56.520 55.656 0.864 19910 7174 1 14 . 1 1 46 46 PHE CB C 46 43.930 43.930 40.987 2.942 19910 7175 1 14 . 1 1 46 46 PHE H H 46 8.870 8.870 8.078 0.792 19910 7176 1 14 . 1 1 47 47 LEU N N 47 129.700 129.700 126.223 3.477 19910 7177 1 14 . 1 1 47 47 LEU HA H 47 4.565 4.565 4.730 -0.165 19910 7178 1 14 . 1 1 47 47 LEU C C 47 171.770 171.770 175.258 -3.488 19910 7179 1 14 . 1 1 47 47 LEU CA C 47 53.130 53.130 54.114 -0.984 19910 7180 1 14 . 1 1 47 47 LEU CB C 47 47.560 47.560 45.138 2.422 19910 7181 1 14 . 1 1 47 47 LEU H H 47 8.850 8.850 9.261 -0.411 19910 7182 1 14 . 1 1 48 48 ARG N N 48 127.760 127.760 125.740 2.020 19910 7183 1 14 . 1 1 48 48 ARG HA H 48 5.283 5.283 5.140 0.143 19910 7184 1 14 . 1 1 48 48 ARG C C 48 174.090 174.090 175.317 -1.227 19910 7185 1 14 . 1 1 48 48 ARG CA C 48 54.100 54.100 55.226 -1.126 19910 7186 1 14 . 1 1 48 48 ARG CB C 48 33.160 33.160 31.521 1.639 19910 7187 1 14 . 1 1 48 48 ARG H H 48 8.620 8.620 8.652 -0.032 19910 7188 1 14 . 1 1 49 49 LEU N N 49 122.890 122.890 128.715 -5.825 19910 7189 1 14 . 1 1 49 49 LEU HA H 49 4.855 4.855 4.810 0.045 19910 7190 1 14 . 1 1 49 49 LEU C C 49 175.880 175.880 175.635 0.245 19910 7191 1 14 . 1 1 49 49 LEU CA C 49 52.880 52.880 53.984 -1.104 19910 7192 1 14 . 1 1 49 49 LEU CB C 49 47.800 47.800 45.726 2.074 19910 7193 1 14 . 1 1 49 49 LEU H H 49 8.970 8.970 9.074 -0.104 19910 7194 1 14 . 1 1 50 50 THR N N 50 118.610 118.610 119.553 -0.943 19910 7195 1 14 . 1 1 50 50 THR HA H 50 4.862 4.862 4.823 0.039 19910 7196 1 14 . 1 1 50 50 THR C C 50 174.610 174.610 174.682 -0.072 19910 7197 1 14 . 1 1 50 50 THR CA C 50 61.110 61.110 61.606 -0.496 19910 7198 1 14 . 1 1 50 50 THR CB C 50 69.220 69.220 69.013 0.207 19910 7199 1 14 . 1 1 50 50 THR H H 50 8.670 8.670 8.493 0.177 19910 7200 1 14 . 1 1 51 51 LEU N N 51 126.300 126.300 127.762 -1.462 19910 7201 1 14 . 1 1 51 51 LEU HA H 51 4.302 4.302 4.416 -0.114 19910 7202 1 14 . 1 1 51 51 LEU CA C 51 52.650 52.650 53.437 -0.787 19910 7203 1 14 . 1 1 51 51 LEU CB C 51 41.950 41.950 41.662 0.288 19910 7204 1 14 . 1 1 51 51 LEU H H 51 9.540 9.540 8.094 1.446 19910 7205 1 14 . 1 1 52 52 PRO HA H 52 4.401 4.401 4.244 0.157 19910 7206 1 14 . 1 1 52 52 PRO C C 52 174.240 174.240 175.767 -1.527 19910 7207 1 14 . 1 1 52 52 PRO CA C 52 62.690 62.690 64.040 -1.350 19910 7208 1 14 . 1 1 52 52 PRO CB C 52 30.620 30.620 32.128 -1.508 19910 7209 1 14 . 1 1 53 53 GLY N N 53 105.990 105.990 105.975 0.015 19910 7210 1 14 . 1 1 53 53 GLY C C 53 170.520 170.520 172.523 -2.003 19910 7211 1 14 . 1 1 53 53 GLY CA C 53 43.450 43.450 43.553 -0.103 19910 7212 1 14 . 1 1 53 53 GLY H H 53 6.550 6.550 6.565 -0.015 19910 7213 1 14 . 1 1 54 54 ARG N N 54 115.660 115.660 118.614 -2.954 19910 7214 1 14 . 1 1 54 54 ARG HA H 54 4.347 4.347 5.180 -0.833 19910 7215 1 14 . 1 1 54 54 ARG C C 54 176.940 176.940 175.295 1.645 19910 7216 1 14 . 1 1 54 54 ARG CA C 54 55.890 55.890 54.735 1.155 19910 7217 1 14 . 1 1 54 54 ARG CB C 54 32.310 32.310 33.427 -1.117 19910 7218 1 14 . 1 1 54 54 ARG H H 54 8.210 8.210 8.218 -0.008 19910 7219 1 14 . 1 1 55 55 ILE N N 55 118.910 118.910 124.152 -5.242 19910 7220 1 14 . 1 1 55 55 ILE HA H 55 5.003 5.003 4.630 0.373 19910 7221 1 14 . 1 1 55 55 ILE C C 55 175.310 175.310 174.932 0.378 19910 7222 1 14 . 1 1 55 55 ILE CA C 55 58.500 58.500 58.671 -0.171 19910 7223 1 14 . 1 1 55 55 ILE CB C 55 40.950 40.950 38.944 2.006 19910 7224 1 14 . 1 1 55 55 ILE H H 55 8.640 8.640 8.947 -0.307 19910 7225 1 14 . 1 1 56 56 VAL N N 56 118.140 118.140 125.137 -6.997 19910 7226 1 14 . 1 1 56 56 VAL HA H 56 4.438 4.438 4.041 0.397 19910 7227 1 14 . 1 1 56 56 VAL C C 56 172.920 172.920 175.460 -2.540 19910 7228 1 14 . 1 1 56 56 VAL CA C 56 60.510 60.510 62.235 -1.725 19910 7229 1 14 . 1 1 56 56 VAL CB C 56 34.850 34.850 32.978 1.872 19910 7230 1 14 . 1 1 56 56 VAL H H 56 8.330 8.330 7.914 0.416 19910 7231 1 14 . 1 1 57 57 GLU N N 57 123.300 123.300 125.380 -2.080 19910 7232 1 14 . 1 1 57 57 GLU HA H 57 4.358 4.358 4.712 -0.354 19910 7233 1 14 . 1 1 57 57 GLU C C 57 176.350 176.350 175.181 1.169 19910 7234 1 14 . 1 1 57 57 GLU CA C 57 55.890 55.890 56.210 -0.320 19910 7235 1 14 . 1 1 57 57 GLU CB C 57 29.880 29.880 31.219 -1.339 19910 7236 1 14 . 1 1 57 57 GLU H H 57 8.380 8.380 8.864 -0.484 19910 7237 1 14 . 1 1 58 58 ASN N N 58 121.570 121.570 124.756 -3.186 19910 7238 1 14 . 1 1 58 58 ASN HA H 58 4.764 4.764 4.858 -0.094 19910 7239 1 14 . 1 1 58 58 ASN C C 58 176.120 176.120 175.389 0.731 19910 7240 1 14 . 1 1 58 58 ASN CA C 58 52.760 52.760 53.718 -0.958 19910 7241 1 14 . 1 1 58 58 ASN CB C 58 38.970 38.970 38.994 -0.024 19910 7242 1 14 . 1 1 58 58 ASN H H 58 8.360 8.360 9.024 -0.664 19910 7243 1 14 . 1 1 59 59 GLY N N 59 112.050 112.050 108.493 3.557 19910 7244 1 14 . 1 1 59 59 GLY C C 59 174.840 174.840 174.836 0.004 19910 7245 1 14 . 1 1 59 59 GLY CA C 59 45.380 45.380 46.037 -0.657 19910 7246 1 14 . 1 1 59 59 GLY H H 59 9.350 9.350 8.315 1.035 19910 7247 1 14 . 1 1 60 60 SER N N 60 115.430 115.430 116.623 -1.193 19910 7248 1 14 . 1 1 60 60 SER HA H 60 4.536 4.536 4.711 -0.175 19910 7249 1 14 . 1 1 60 60 SER C C 60 174.140 174.140 174.217 -0.077 19910 7250 1 14 . 1 1 60 60 SER CA C 60 58.810 58.810 57.751 1.059 19910 7251 1 14 . 1 1 60 60 SER CB C 60 64.140 64.140 63.407 0.733 19910 7252 1 14 . 1 1 60 60 SER H H 60 8.350 8.350 8.349 0.001 19910 7253 1 14 . 1 1 61 61 GLU N N 61 122.950 122.950 120.665 2.285 19910 7254 1 14 . 1 1 61 61 GLU HA H 61 4.525 4.525 4.280 0.245 19910 7255 1 14 . 1 1 61 61 GLU C C 61 175.550 175.550 176.361 -0.811 19910 7256 1 14 . 1 1 61 61 GLU CA C 61 56.520 56.520 55.931 0.589 19910 7257 1 14 . 1 1 61 61 GLU CB C 61 29.530 29.530 30.601 -1.071 19910 7258 1 14 . 1 1 61 61 GLU H H 61 8.910 8.910 7.486 1.424 19910 7259 1 14 . 1 1 62 62 GLN N N 62 120.280 120.280 119.444 0.836 19910 7260 1 14 . 1 1 62 62 GLN HA H 62 4.601 4.601 4.623 -0.022 19910 7261 1 14 . 1 1 62 62 GLN C C 62 175.700 175.700 174.967 0.733 19910 7262 1 14 . 1 1 62 62 GLN CA C 62 55.430 55.430 55.106 0.324 19910 7263 1 14 . 1 1 62 62 GLN CB C 62 31.340 31.340 32.321 -0.981 19910 7264 1 14 . 1 1 62 62 GLN H H 62 8.310 8.310 8.551 -0.241 19910 7265 1 14 . 1 1 63 63 GLY N N 63 111.400 111.400 110.390 1.010 19910 7266 1 14 . 1 1 63 63 GLY C C 63 172.550 172.550 173.244 -0.694 19910 7267 1 14 . 1 1 63 63 GLY CA C 63 44.690 44.690 44.288 0.402 19910 7268 1 14 . 1 1 63 63 GLY H H 63 8.880 8.880 8.374 0.506 19910 7269 1 14 . 1 1 64 64 SER N N 64 115.080 115.080 118.620 -3.540 19910 7270 1 14 . 1 1 64 64 SER HA H 64 4.629 4.629 4.692 -0.063 19910 7271 1 14 . 1 1 64 64 SER C C 64 171.770 171.770 173.181 -1.411 19910 7272 1 14 . 1 1 64 64 SER CA C 64 57.120 57.120 58.453 -1.333 19910 7273 1 14 . 1 1 64 64 SER CB C 64 65.230 65.230 65.014 0.215 19910 7274 1 14 . 1 1 64 64 SER H H 64 8.280 8.280 8.642 -0.362 19910 7275 1 14 . 1 1 65 65 TYR N N 65 124.640 124.640 128.877 -4.237 19910 7276 1 14 . 1 1 65 65 TYR HA H 65 5.198 5.198 5.150 0.048 19910 7277 1 14 . 1 1 65 65 TYR C C 65 173.640 173.640 175.016 -1.376 19910 7278 1 14 . 1 1 65 65 TYR CA C 65 55.670 55.670 56.826 -1.156 19910 7279 1 14 . 1 1 65 65 TYR CB C 65 40.900 40.900 38.699 2.201 19910 7280 1 14 . 1 1 65 65 TYR H H 65 8.980 8.980 8.821 0.159 19910 7281 1 14 . 1 1 66 66 ASP N N 66 128.570 128.570 130.009 -1.439 19910 7282 1 14 . 1 1 66 66 ASP HA H 66 4.532 4.532 4.652 -0.120 19910 7283 1 14 . 1 1 66 66 ASP C C 66 175.340 175.340 175.722 -0.382 19910 7284 1 14 . 1 1 66 66 ASP CA C 66 51.800 51.800 53.285 -1.485 19910 7285 1 14 . 1 1 66 66 ASP CB C 66 41.510 41.510 41.206 0.304 19910 7286 1 14 . 1 1 66 66 ASP H H 66 8.000 8.000 8.236 -0.236 19910 7287 1 14 . 1 1 67 67 ALA N N 67 127.520 127.520 128.446 -0.926 19910 7288 1 14 . 1 1 67 67 ALA HA H 67 3.597 3.597 3.596 0.001 19910 7289 1 14 . 1 1 67 67 ALA C C 67 178.770 178.770 178.272 0.498 19910 7290 1 14 . 1 1 67 67 ALA CA C 67 53.850 53.850 55.044 -1.194 19910 7291 1 14 . 1 1 67 67 ALA CB C 67 18.640 18.640 18.627 0.013 19910 7292 1 14 . 1 1 67 67 ALA H H 67 8.460 8.460 7.893 0.567 19910 7293 1 14 . 1 1 68 68 ASP N N 68 117.850 117.850 118.510 -0.660 19910 7294 1 14 . 1 1 68 68 ASP HA H 68 4.340 4.340 4.353 -0.013 19910 7295 1 14 . 1 1 68 68 ASP C C 68 177.780 177.780 177.680 0.100 19910 7296 1 14 . 1 1 68 68 ASP CA C 68 56.760 56.760 56.535 0.225 19910 7297 1 14 . 1 1 68 68 ASP CB C 68 40.900 40.900 40.486 0.414 19910 7298 1 14 . 1 1 68 68 ASP H H 68 7.980 7.980 8.482 -0.502 19910 7299 1 14 . 1 1 69 69 LYS N N 69 115.790 115.790 118.127 -2.337 19910 7300 1 14 . 1 1 69 69 LYS HA H 69 4.119 4.119 4.211 -0.092 19910 7301 1 14 . 1 1 69 69 LYS C C 69 177.130 177.130 177.146 -0.016 19910 7302 1 14 . 1 1 69 69 LYS CA C 69 56.150 56.150 56.608 -0.458 19910 7303 1 14 . 1 1 69 69 LYS CB C 69 34.010 34.010 32.789 1.221 19910 7304 1 14 . 1 1 69 69 LYS H H 69 7.390 7.390 7.928 -0.538 19910 7305 1 14 . 1 1 70 70 GLY N N 70 110.040 110.040 108.026 2.014 19910 7306 1 14 . 1 1 70 70 GLY C C 70 174.040 174.040 173.596 0.444 19910 7307 1 14 . 1 1 70 70 GLY CA C 70 46.830 46.830 45.669 1.161 19910 7308 1 14 . 1 1 70 70 GLY H H 70 8.030 8.030 8.019 0.011 19910 7309 1 14 . 1 1 71 71 ILE N N 71 115.810 115.810 117.633 -1.823 19910 7310 1 14 . 1 1 71 71 ILE HA H 71 4.861 4.861 4.478 0.383 19910 7311 1 14 . 1 1 71 71 ILE C C 71 175.520 175.520 173.612 1.908 19910 7312 1 14 . 1 1 71 71 ILE CA C 71 59.420 59.420 60.220 -0.800 19910 7313 1 14 . 1 1 71 71 ILE CB C 71 42.240 42.240 42.426 -0.186 19910 7314 1 14 . 1 1 71 71 ILE H H 71 6.990 6.990 7.777 -0.787 19910 7315 1 14 . 1 1 72 72 PHE N N 72 132.630 132.630 126.792 5.838 19910 7316 1 14 . 1 1 72 72 PHE HA H 72 5.377 5.377 5.235 0.142 19910 7317 1 14 . 1 1 72 72 PHE C C 72 173.310 173.310 174.078 -0.768 19910 7318 1 14 . 1 1 72 72 PHE CA C 72 56.150 56.150 55.075 1.075 19910 7319 1 14 . 1 1 72 72 PHE CB C 72 41.630 41.630 41.375 0.255 19910 7320 1 14 . 1 1 72 72 PHE H H 72 9.720 9.720 9.164 0.556 19910 7321 1 14 . 1 1 73 73 THR N N 73 124.190 124.190 124.896 -0.706 19910 7322 1 14 . 1 1 73 73 THR HA H 73 5.047 5.047 5.136 -0.089 19910 7323 1 14 . 1 1 73 73 THR C C 73 172.660 172.660 172.890 -0.230 19910 7324 1 14 . 1 1 73 73 THR CA C 73 61.480 61.480 60.367 1.113 19910 7325 1 14 . 1 1 73 73 THR CB C 73 69.950 69.950 69.792 0.158 19910 7326 1 14 . 1 1 73 73 THR H H 73 8.610 8.610 8.731 -0.121 19910 7327 1 14 . 1 1 74 74 ILE N N 74 125.780 125.780 126.496 -0.716 19910 7328 1 14 . 1 1 74 74 ILE HA H 74 4.557 4.557 4.721 -0.164 19910 7329 1 14 . 1 1 74 74 ILE C C 74 171.480 171.480 173.526 -2.046 19910 7330 1 14 . 1 1 74 74 ILE CA C 74 59.060 59.060 58.877 0.183 19910 7331 1 14 . 1 1 74 74 ILE CB C 74 41.510 41.510 41.273 0.237 19910 7332 1 14 . 1 1 74 74 ILE H H 74 8.850 8.850 8.002 0.848 19910 7333 1 14 . 1 1 75 75 ARG N N 75 127.330 127.330 127.545 -0.215 19910 7334 1 14 . 1 1 75 75 ARG HA H 75 4.859 4.859 4.514 0.345 19910 7335 1 14 . 1 1 75 75 ARG C C 75 174.790 174.790 174.697 0.093 19910 7336 1 14 . 1 1 75 75 ARG CA C 75 54.460 54.460 54.790 -0.330 19910 7337 1 14 . 1 1 75 75 ARG CB C 75 31.460 31.460 31.371 0.089 19910 7338 1 14 . 1 1 75 75 ARG H H 75 8.320 8.320 8.387 -0.067 19910 7339 1 14 . 1 1 76 76 LEU N N 76 125.120 125.120 121.264 3.856 19910 7340 1 14 . 1 1 76 76 LEU HA H 76 4.819 4.819 4.744 0.075 19910 7341 1 14 . 1 1 76 76 LEU CA C 76 50.530 50.530 52.001 -1.471 19910 7342 1 14 . 1 1 76 76 LEU CB C 76 43.070 43.070 44.880 -1.810 19910 7343 1 14 . 1 1 76 76 LEU H H 76 9.300 9.300 7.986 1.314 19910 7344 1 14 . 1 1 77 77 PRO HA H 77 4.114 4.114 4.619 -0.505 19910 7345 1 14 . 1 1 77 77 PRO C C 77 176.430 176.430 176.308 0.122 19910 7346 1 14 . 1 1 77 77 PRO CA C 77 62.080 62.080 61.625 0.455 19910 7347 1 14 . 1 1 77 77 PRO CB C 77 31.220 31.220 32.538 -1.317 19910 7348 1 14 . 1 1 78 78 LYS N N 78 122.800 122.800 120.124 2.676 19910 7349 1 14 . 1 1 78 78 LYS HA H 78 4.062 4.062 4.407 -0.345 19910 7350 1 14 . 1 1 78 78 LYS C C 78 176.590 176.590 176.602 -0.012 19910 7351 1 14 . 1 1 78 78 LYS CA C 78 57.730 57.730 54.915 2.815 19910 7352 1 14 . 1 1 78 78 LYS CB C 78 32.800 32.800 33.537 -0.737 19910 7353 1 14 . 1 1 78 78 LYS H H 78 7.790 7.790 7.924 -0.134 19910 7354 1 14 . 1 1 79 79 GLU N N 79 124.540 124.540 122.293 2.247 19910 7355 1 14 . 1 1 79 79 GLU HA H 79 3.689 3.689 4.253 -0.564 19910 7356 1 14 . 1 1 79 79 GLU C C 79 176.300 176.300 176.259 0.041 19910 7357 1 14 . 1 1 79 79 GLU CA C 79 59.420 59.420 58.056 1.364 19910 7358 1 14 . 1 1 79 79 GLU CB C 79 30.500 30.500 30.262 0.238 19910 7359 1 14 . 1 1 79 79 GLU H H 79 8.520 8.520 8.758 -0.238 19910 7360 1 14 . 1 1 80 80 THR N N 80 115.960 115.960 116.175 -0.215 19910 7361 1 14 . 1 1 80 80 THR HA H 80 4.485 4.485 4.681 -0.196 19910 7362 1 14 . 1 1 80 80 THR CA C 80 59.120 59.120 59.482 -0.362 19910 7363 1 14 . 1 1 80 80 THR CB C 80 69.330 69.330 69.946 -0.616 19910 7364 1 14 . 1 1 80 80 THR H H 80 9.070 9.070 7.653 1.417 19910 7365 1 14 . 1 1 81 81 PRO HA H 81 4.070 4.070 3.890 0.180 19910 7366 1 14 . 1 1 81 81 PRO C C 81 177.860 177.860 178.308 -0.448 19910 7367 1 14 . 1 1 81 81 PRO CA C 81 63.900 63.900 63.857 0.043 19910 7368 1 14 . 1 1 81 81 PRO CB C 81 31.460 31.460 31.917 -0.457 19910 7369 1 14 . 1 1 82 82 GLY N N 82 113.580 113.580 109.613 3.967 19910 7370 1 14 . 1 1 82 82 GLY C C 82 174.870 174.870 174.262 0.608 19910 7371 1 14 . 1 1 82 82 GLY CA C 82 45.140 45.140 45.044 0.096 19910 7372 1 14 . 1 1 82 82 GLY H H 82 9.150 9.150 8.406 0.744 19910 7373 1 14 . 1 1 83 83 GLN N N 83 122.820 122.820 119.887 2.933 19910 7374 1 14 . 1 1 83 83 GLN HA H 83 4.159 4.159 4.334 -0.175 19910 7375 1 14 . 1 1 83 83 GLN C C 83 175.180 175.180 174.960 0.220 19910 7376 1 14 . 1 1 83 83 GLN CA C 83 56.390 56.390 55.757 0.633 19910 7377 1 14 . 1 1 83 83 GLN CB C 83 29.410 29.410 30.167 -0.757 19910 7378 1 14 . 1 1 83 83 GLN H H 83 7.960 7.960 7.534 0.426 19910 7379 1 14 . 1 1 84 84 HIS N N 84 131.340 131.340 124.714 6.626 19910 7380 1 14 . 1 1 84 84 HIS HA H 84 4.299 4.299 4.678 -0.379 19910 7381 1 14 . 1 1 84 84 HIS C C 84 175.300 175.300 174.452 0.848 19910 7382 1 14 . 1 1 84 84 HIS CA C 84 56.640 56.640 54.670 1.970 19910 7383 1 14 . 1 1 84 84 HIS CB C 84 30.980 30.980 31.947 -0.967 19910 7384 1 14 . 1 1 84 84 HIS H H 84 9.220 9.220 8.609 0.611 19910 7385 1 14 . 1 1 85 85 PHE N N 85 130.320 130.320 126.354 3.966 19910 7386 1 14 . 1 1 85 85 PHE HA H 85 4.722 4.722 4.445 0.277 19910 7387 1 14 . 1 1 85 85 PHE C C 85 174.890 174.890 175.461 -0.571 19910 7388 1 14 . 1 1 85 85 PHE CA C 85 54.580 54.580 55.749 -1.169 19910 7389 1 14 . 1 1 85 85 PHE CB C 85 36.430 36.430 37.063 -0.633 19910 7390 1 14 . 1 1 85 85 PHE H H 85 9.130 9.130 9.674 -0.544 19910 7391 1 14 . 1 1 86 86 GLU N N 86 126.010 126.010 124.045 1.965 19910 7392 1 14 . 1 1 86 86 GLU HA H 86 4.199 4.199 4.238 -0.039 19910 7393 1 14 . 1 1 86 86 GLU C C 86 177.000 177.000 177.706 -0.706 19910 7394 1 14 . 1 1 86 86 GLU CA C 86 55.910 55.910 56.922 -1.012 19910 7395 1 14 . 1 1 86 86 GLU CB C 86 30.620 30.620 30.620 -0.000 19910 7396 1 14 . 1 1 86 86 GLU H H 86 8.900 8.900 7.957 0.943 19910 7397 1 14 . 1 1 87 87 GLY N N 87 108.540 108.540 109.630 -1.090 19910 7398 1 14 . 1 1 87 87 GLY C C 87 177.370 177.370 175.185 2.185 19910 7399 1 14 . 1 1 87 87 GLY CA C 87 46.590 46.590 46.197 0.393 19910 7400 1 14 . 1 1 87 87 GLY H H 87 8.610 8.610 8.810 -0.200 19910 7401 1 14 . 1 1 88 88 LEU N N 88 119.830 119.830 120.104 -0.274 19910 7402 1 14 . 1 1 88 88 LEU HA H 88 3.775 3.775 4.048 -0.273 19910 7403 1 14 . 1 1 88 88 LEU C C 88 177.500 177.500 177.686 -0.186 19910 7404 1 14 . 1 1 88 88 LEU CA C 88 57.850 57.850 57.491 0.359 19910 7405 1 14 . 1 1 88 88 LEU CB C 88 40.780 40.780 42.215 -1.435 19910 7406 1 14 . 1 1 88 88 LEU H H 88 8.370 8.370 7.893 0.477 19910 7407 1 14 . 1 1 89 89 ASN N N 89 112.390 112.390 114.712 -2.322 19910 7408 1 14 . 1 1 89 89 ASN HA H 89 4.524 4.524 4.649 -0.125 19910 7409 1 14 . 1 1 89 89 ASN C C 89 175.440 175.440 175.109 0.331 19910 7410 1 14 . 1 1 89 89 ASN CA C 89 54.340 54.340 54.338 0.002 19910 7411 1 14 . 1 1 89 89 ASN CB C 89 37.030 37.030 37.661 -0.631 19910 7412 1 14 . 1 1 89 89 ASN H H 89 8.470 8.470 8.413 0.057 19910 7413 1 14 . 1 1 90 90 MET N N 90 117.460 117.460 116.716 0.744 19910 7414 1 14 . 1 1 90 90 MET HA H 90 4.626 4.626 4.576 0.050 19910 7415 1 14 . 1 1 90 90 MET C C 90 176.040 176.040 175.885 0.155 19910 7416 1 14 . 1 1 90 90 MET CA C 90 54.340 54.340 55.920 -1.581 19910 7417 1 14 . 1 1 90 90 MET CB C 90 32.550 32.550 33.981 -1.431 19910 7418 1 14 . 1 1 90 90 MET H H 90 7.460 7.460 7.320 0.140 19910 7419 1 14 . 1 1 91 91 LEU N N 91 121.330 121.330 121.744 -0.414 19910 7420 1 14 . 1 1 91 91 LEU HA H 91 4.277 4.277 4.239 0.038 19910 7421 1 14 . 1 1 91 91 LEU C C 91 176.870 176.870 176.467 0.403 19910 7422 1 14 . 1 1 91 91 LEU CA C 91 56.390 56.390 56.033 0.357 19910 7423 1 14 . 1 1 91 91 LEU CB C 91 42.480 42.480 42.236 0.244 19910 7424 1 14 . 1 1 91 91 LEU H H 91 7.280 7.280 7.843 -0.563 19910 7425 1 14 . 1 1 92 92 THR N N 92 113.970 113.970 113.266 0.704 19910 7426 1 14 . 1 1 92 92 THR HA H 92 4.582 4.582 4.564 0.018 19910 7427 1 14 . 1 1 92 92 THR C C 92 173.180 173.180 172.777 0.403 19910 7428 1 14 . 1 1 92 92 THR CA C 92 60.390 60.390 60.985 -0.595 19910 7429 1 14 . 1 1 92 92 THR CB C 92 71.160 71.160 70.602 0.558 19910 7430 1 14 . 1 1 92 92 THR H H 92 8.110 8.110 7.979 0.131 19910 7431 1 14 . 1 1 93 93 ALA N N 93 124.650 124.650 124.856 -0.206 19910 7432 1 14 . 1 1 93 93 ALA HA H 93 4.245 4.245 4.780 -0.535 19910 7433 1 14 . 1 1 93 93 ALA C C 93 177.650 177.650 177.620 0.030 19910 7434 1 14 . 1 1 93 93 ALA CA C 93 52.640 52.640 51.321 1.319 19910 7435 1 14 . 1 1 93 93 ALA CB C 93 19.670 19.670 20.205 -0.535 19910 7436 1 14 . 1 1 93 93 ALA H H 93 8.430 8.430 8.289 0.141 19910 7437 1 14 . 1 1 94 94 LEU N N 94 123.150 123.150 120.632 2.518 19910 7438 1 14 . 1 1 94 94 LEU HA H 94 4.450 4.450 4.787 -0.337 19910 7439 1 14 . 1 1 94 94 LEU C C 94 177.420 177.420 176.639 0.781 19910 7440 1 14 . 1 1 94 94 LEU CA C 94 54.940 54.940 54.512 0.428 19910 7441 1 14 . 1 1 94 94 LEU CB C 94 42.480 42.480 42.956 -0.476 19910 7442 1 14 . 1 1 94 94 LEU H H 94 8.450 8.450 8.203 0.247 19910 7443 1 14 . 1 1 95 95 LEU N N 95 124.390 124.390 124.071 0.319 19910 7444 1 14 . 1 1 95 95 LEU HA H 95 4.409 4.409 4.678 -0.269 19910 7445 1 14 . 1 1 95 95 LEU C C 95 175.990 175.990 177.375 -1.385 19910 7446 1 14 . 1 1 95 95 LEU CA C 95 55.060 55.060 54.909 0.151 19910 7447 1 14 . 1 1 95 95 LEU CB C 95 42.360 42.360 42.019 0.341 19910 7448 1 14 . 1 1 95 95 LEU H H 95 8.380 8.380 8.460 -0.080 19910 7449 1 15 . 1 1 2 2 LEU N N 2 123.170 123.170 126.604 -3.434 19910 7450 1 15 . 1 1 2 2 LEU HA H 2 4.588 4.588 4.729 -0.141 19910 7451 1 15 . 1 1 2 2 LEU C C 2 176.260 176.260 176.307 -0.047 19910 7452 1 15 . 1 1 2 2 LEU CA C 2 53.730 53.730 54.781 -1.051 19910 7453 1 15 . 1 1 2 2 LEU CB C 2 44.290 44.290 42.842 1.448 19910 7454 1 15 . 1 1 2 2 LEU H H 2 8.690 8.690 8.301 0.389 19910 7455 1 15 . 1 1 3 3 THR N N 3 120.960 120.960 119.563 1.397 19910 7456 1 15 . 1 1 3 3 THR HA H 3 5.193 5.193 4.581 0.612 19910 7457 1 15 . 1 1 3 3 THR CA C 3 59.990 59.990 59.800 0.190 19910 7458 1 15 . 1 1 3 3 THR CB C 3 69.950 69.950 69.925 0.025 19910 7459 1 15 . 1 1 3 3 THR H H 3 8.850 8.850 8.434 0.416 19910 7460 1 15 . 1 1 4 4 PRO HA H 4 4.718 4.718 4.497 0.221 19910 7461 1 15 . 1 1 4 4 PRO C C 4 175.870 175.870 176.341 -0.471 19910 7462 1 15 . 1 1 4 4 PRO CA C 4 62.080 62.080 62.627 -0.547 19910 7463 1 15 . 1 1 4 4 PRO CB C 4 31.950 31.950 32.255 -0.305 19910 7464 1 15 . 1 1 5 5 ALA N N 5 122.560 122.560 124.292 -1.732 19910 7465 1 15 . 1 1 5 5 ALA HA H 5 4.348 4.348 4.346 0.002 19910 7466 1 15 . 1 1 5 5 ALA C C 5 176.360 176.360 176.822 -0.462 19910 7467 1 15 . 1 1 5 5 ALA CA C 5 52.280 52.280 51.239 1.041 19910 7468 1 15 . 1 1 5 5 ALA CB C 5 18.880 18.880 17.238 1.642 19910 7469 1 15 . 1 1 5 5 ALA H H 5 8.400 8.400 8.372 0.028 19910 7470 1 15 . 1 1 6 6 PHE N N 6 115.160 115.160 119.380 -4.220 19910 7471 1 15 . 1 1 6 6 PHE HA H 6 5.537 5.537 4.879 0.658 19910 7472 1 15 . 1 1 6 6 PHE C C 6 172.590 172.590 174.792 -2.202 19910 7473 1 15 . 1 1 6 6 PHE CA C 6 55.430 55.430 57.291 -1.861 19910 7474 1 15 . 1 1 6 6 PHE CB C 6 42.240 42.240 40.582 1.658 19910 7475 1 15 . 1 1 6 6 PHE H H 6 7.740 7.740 7.865 -0.125 19910 7476 1 15 . 1 1 7 7 ASP N N 7 118.960 118.960 118.886 0.074 19910 7477 1 15 . 1 1 7 7 ASP HA H 7 4.813 4.813 4.708 0.105 19910 7478 1 15 . 1 1 7 7 ASP C C 7 174.530 174.530 173.565 0.965 19910 7479 1 15 . 1 1 7 7 ASP CA C 7 53.370 53.370 53.516 -0.146 19910 7480 1 15 . 1 1 7 7 ASP CB C 7 45.380 45.380 44.693 0.687 19910 7481 1 15 . 1 1 7 7 ASP H H 7 8.910 8.910 8.934 -0.024 19910 7482 1 15 . 1 1 8 8 LEU N N 8 123.470 123.470 119.638 3.832 19910 7483 1 15 . 1 1 8 8 LEU HA H 8 5.284 5.284 4.670 0.614 19910 7484 1 15 . 1 1 8 8 LEU C C 8 175.420 175.420 175.788 -0.368 19910 7485 1 15 . 1 1 8 8 LEU CA C 8 53.850 53.850 53.739 0.111 19910 7486 1 15 . 1 1 8 8 LEU CB C 8 45.620 45.620 44.383 1.236 19910 7487 1 15 . 1 1 8 8 LEU H H 8 8.750 8.750 8.303 0.447 19910 7488 1 15 . 1 1 9 9 SER N N 9 115.920 115.920 117.458 -1.538 19910 7489 1 15 . 1 1 9 9 SER HA H 9 4.486 4.486 4.754 -0.268 19910 7490 1 15 . 1 1 9 9 SER C C 9 171.680 171.680 172.705 -1.025 19910 7491 1 15 . 1 1 9 9 SER CA C 9 57.000 57.000 56.665 0.335 19910 7492 1 15 . 1 1 9 9 SER CB C 9 65.590 65.590 65.466 0.124 19910 7493 1 15 . 1 1 9 9 SER H H 9 8.860 8.860 8.980 -0.120 19910 7494 1 15 . 1 1 10 10 GLN N N 10 115.230 115.230 123.745 -8.515 19910 7495 1 15 . 1 1 10 10 GLN HA H 10 5.375 5.375 4.502 0.873 19910 7496 1 15 . 1 1 10 10 GLN C C 10 172.130 172.130 173.328 -1.198 19910 7497 1 15 . 1 1 10 10 GLN CA C 10 54.270 54.270 54.816 -0.546 19910 7498 1 15 . 1 1 10 10 GLN CB C 10 32.990 32.990 31.990 1.000 19910 7499 1 15 . 1 1 10 10 GLN H H 10 8.800 8.800 8.322 0.478 19910 7500 1 15 . 1 1 11 11 ASP N N 11 124.270 124.270 122.827 1.443 19910 7501 1 15 . 1 1 11 11 ASP HA H 11 4.768 4.768 5.174 -0.406 19910 7502 1 15 . 1 1 11 11 ASP CA C 11 52.530 52.530 51.236 1.294 19910 7503 1 15 . 1 1 11 11 ASP CB C 11 42.200 42.200 43.188 -0.988 19910 7504 1 15 . 1 1 11 11 ASP H H 11 8.680 8.680 8.346 0.334 19910 7505 1 15 . 1 1 12 12 PRO HA H 12 4.050 4.050 4.429 -0.380 19910 7506 1 15 . 1 1 12 12 PRO C C 12 175.290 175.290 175.770 -0.480 19910 7507 1 15 . 1 1 12 12 PRO CA C 12 66.920 66.920 64.646 2.274 19910 7508 1 15 . 1 1 12 12 PRO CB C 12 31.950 31.950 32.065 -0.115 19910 7509 1 15 . 1 1 13 13 ASP N N 13 110.550 110.550 114.779 -4.229 19910 7510 1 15 . 1 1 13 13 ASP HA H 13 4.632 4.632 4.658 -0.026 19910 7511 1 15 . 1 1 13 13 ASP C C 13 176.480 176.480 173.927 2.553 19910 7512 1 15 . 1 1 13 13 ASP CA C 13 54.940 54.940 53.469 1.471 19910 7513 1 15 . 1 1 13 13 ASP CB C 13 44.410 44.410 41.832 2.578 19910 7514 1 15 . 1 1 13 13 ASP H H 13 7.990 7.990 8.413 -0.423 19910 7515 1 15 . 1 1 14 14 PHE N N 14 118.880 118.880 116.214 2.666 19910 7516 1 15 . 1 1 14 14 PHE HA H 14 5.049 5.049 5.101 -0.052 19910 7517 1 15 . 1 1 14 14 PHE C C 14 174.690 174.690 173.387 1.303 19910 7518 1 15 . 1 1 14 14 PHE CA C 14 57.600 57.600 57.160 0.440 19910 7519 1 15 . 1 1 14 14 PHE CB C 14 42.960 42.960 43.238 -0.278 19910 7520 1 15 . 1 1 14 14 PHE H H 14 8.390 8.390 8.076 0.314 19910 7521 1 15 . 1 1 15 15 LEU N N 15 123.990 123.990 121.609 2.381 19910 7522 1 15 . 1 1 15 15 LEU HA H 15 4.613 4.613 4.637 -0.024 19910 7523 1 15 . 1 1 15 15 LEU C C 15 174.780 174.780 174.683 0.097 19910 7524 1 15 . 1 1 15 15 LEU CA C 15 53.250 53.250 54.396 -1.146 19910 7525 1 15 . 1 1 15 15 LEU CB C 15 45.020 45.020 44.001 1.019 19910 7526 1 15 . 1 1 15 15 LEU H H 15 9.200 9.200 8.985 0.215 19910 7527 1 15 . 1 1 16 16 THR N N 16 122.960 122.960 124.406 -1.446 19910 7528 1 15 . 1 1 16 16 THR HA H 16 4.849 4.849 4.890 -0.041 19910 7529 1 15 . 1 1 16 16 THR C C 16 172.810 172.810 173.709 -0.899 19910 7530 1 15 . 1 1 16 16 THR CA C 16 62.690 62.690 62.354 0.336 19910 7531 1 15 . 1 1 16 16 THR CB C 16 69.340 69.340 70.252 -0.912 19910 7532 1 15 . 1 1 16 16 THR H H 16 9.000 9.000 8.816 0.184 19910 7533 1 15 . 1 1 17 17 ILE N N 17 126.630 126.630 125.877 0.753 19910 7534 1 15 . 1 1 17 17 ILE HA H 17 4.439 4.439 4.128 0.311 19910 7535 1 15 . 1 1 17 17 ILE C C 17 172.580 172.580 173.673 -1.093 19910 7536 1 15 . 1 1 17 17 ILE CA C 17 60.030 60.030 59.701 0.329 19910 7537 1 15 . 1 1 17 17 ILE CB C 17 39.450 39.450 39.933 -0.483 19910 7538 1 15 . 1 1 17 17 ILE H H 17 8.680 8.680 8.324 0.356 19910 7539 1 15 . 1 1 18 18 ALA N N 18 130.190 130.190 126.056 4.134 19910 7540 1 15 . 1 1 18 18 ALA HA H 18 5.215 5.215 5.382 -0.167 19910 7541 1 15 . 1 1 18 18 ALA C C 18 176.660 176.660 175.706 0.954 19910 7542 1 15 . 1 1 18 18 ALA CA C 18 49.980 49.980 50.609 -0.629 19910 7543 1 15 . 1 1 18 18 ALA CB C 18 20.570 20.570 21.484 -0.914 19910 7544 1 15 . 1 1 18 18 ALA H H 18 8.490 8.490 8.484 0.006 19910 7545 1 15 . 1 1 19 19 ILE N N 19 124.920 124.920 123.224 1.696 19910 7546 1 15 . 1 1 19 19 ILE HA H 19 4.307 4.307 4.564 -0.257 19910 7547 1 15 . 1 1 19 19 ILE C C 19 174.710 174.710 174.744 -0.034 19910 7548 1 15 . 1 1 19 19 ILE CA C 19 60.990 60.990 60.047 0.943 19910 7549 1 15 . 1 1 19 19 ILE CB C 19 40.900 40.900 41.776 -0.876 19910 7550 1 15 . 1 1 19 19 ILE H H 19 9.590 9.590 8.818 0.772 19910 7551 1 15 . 1 1 20 20 ARG N N 20 128.960 128.960 129.252 -0.292 19910 7552 1 15 . 1 1 20 20 ARG HA H 20 4.642 4.642 4.767 -0.125 19910 7553 1 15 . 1 1 20 20 ARG C C 20 174.890 174.890 174.501 0.389 19910 7554 1 15 . 1 1 20 20 ARG CA C 20 56.030 56.030 55.591 0.439 19910 7555 1 15 . 1 1 20 20 ARG CB C 20 29.530 29.530 30.963 -1.433 19910 7556 1 15 . 1 1 20 20 ARG H H 20 8.600 8.600 8.738 -0.138 19910 7557 1 15 . 1 1 21 21 VAL N N 21 120.400 120.400 122.511 -2.111 19910 7558 1 15 . 1 1 21 21 VAL HA H 21 4.010 4.010 4.478 -0.468 19910 7559 1 15 . 1 1 21 21 VAL C C 21 174.950 174.950 174.639 0.311 19910 7560 1 15 . 1 1 21 21 VAL CA C 21 59.420 59.420 61.035 -1.615 19910 7561 1 15 . 1 1 21 21 VAL CB C 21 33.280 33.280 34.617 -1.337 19910 7562 1 15 . 1 1 21 21 VAL H H 21 8.020 8.020 8.496 -0.476 19910 7563 1 15 . 1 1 22 22 SER N N 22 118.050 118.050 120.423 -2.373 19910 7564 1 15 . 1 1 22 22 SER HA H 22 4.540 4.540 4.851 -0.311 19910 7565 1 15 . 1 1 22 22 SER C C 22 174.110 174.110 174.972 -0.862 19910 7566 1 15 . 1 1 22 22 SER CA C 22 59.540 59.540 58.690 0.850 19910 7567 1 15 . 1 1 22 22 SER CB C 22 63.600 63.600 64.195 -0.596 19910 7568 1 15 . 1 1 22 22 SER H H 22 7.770 7.770 8.925 -1.155 19910 7569 1 15 . 1 1 23 23 TYR N N 23 120.870 120.870 121.082 -0.212 19910 7570 1 15 . 1 1 23 23 TYR HA H 23 4.493 4.493 4.401 0.092 19910 7571 1 15 . 1 1 23 23 TYR C C 23 175.310 175.310 175.298 0.012 19910 7572 1 15 . 1 1 23 23 TYR CA C 23 58.210 58.210 58.347 -0.137 19910 7573 1 15 . 1 1 23 23 TYR CB C 23 37.880 37.880 38.263 -0.383 19910 7574 1 15 . 1 1 23 23 TYR H H 23 8.300 8.300 8.297 0.003 19910 7575 1 15 . 1 1 24 24 ALA N N 24 122.670 122.670 120.337 2.333 19910 7576 1 15 . 1 1 24 24 ALA HA H 24 4.303 4.303 3.981 0.322 19910 7577 1 15 . 1 1 24 24 ALA C C 24 177.160 177.160 177.791 -0.631 19910 7578 1 15 . 1 1 24 24 ALA CA C 24 52.520 52.520 52.894 -0.374 19910 7579 1 15 . 1 1 24 24 ALA CB C 24 19.730 19.730 18.617 1.113 19910 7580 1 15 . 1 1 24 24 ALA H H 24 7.910 7.910 8.052 -0.142 19910 7581 1 15 . 1 1 25 25 ARG N N 25 119.060 119.060 123.044 -3.984 19910 7582 1 15 . 1 1 25 25 ARG HA H 25 4.346 4.346 4.356 -0.011 19910 7583 1 15 . 1 1 25 25 ARG C C 25 175.830 175.830 175.600 0.230 19910 7584 1 15 . 1 1 25 25 ARG CA C 25 55.550 55.550 56.254 -0.704 19910 7585 1 15 . 1 1 25 25 ARG CB C 25 30.500 30.500 30.370 0.130 19910 7586 1 15 . 1 1 25 25 ARG H H 25 8.220 8.220 8.577 -0.357 19910 7587 1 15 . 1 1 26 26 VAL N N 26 118.660 118.660 113.791 4.869 19910 7588 1 15 . 1 1 26 26 VAL HA H 26 3.454 3.454 4.393 -0.939 19910 7589 1 15 . 1 1 26 26 VAL C C 26 175.700 175.700 175.263 0.437 19910 7590 1 15 . 1 1 26 26 VAL CA C 26 61.960 61.960 60.715 1.244 19910 7591 1 15 . 1 1 26 26 VAL CB C 26 32.800 32.800 33.966 -1.166 19910 7592 1 15 . 1 1 26 26 VAL H H 26 7.650 7.650 7.437 0.213 19910 7593 1 15 . 1 1 27 27 SER N N 27 116.090 116.090 119.851 -3.761 19910 7594 1 15 . 1 1 27 27 SER HA H 27 4.183 4.183 4.288 -0.105 19910 7595 1 15 . 1 1 27 27 SER C C 27 173.750 173.750 175.066 -1.316 19910 7596 1 15 . 1 1 27 27 SER CA C 27 58.570 58.570 60.294 -1.724 19910 7597 1 15 . 1 1 27 27 SER CB C 27 63.530 63.530 63.430 0.100 19910 7598 1 15 . 1 1 27 27 SER H H 27 8.180 8.180 8.683 -0.503 19910 7599 1 15 . 1 1 28 28 GLU N N 28 120.070 120.070 119.559 0.511 19910 7600 1 15 . 1 1 28 28 GLU HA H 28 4.203 4.203 4.208 -0.005 19910 7601 1 15 . 1 1 28 28 GLU C C 28 174.790 174.790 175.521 -0.731 19910 7602 1 15 . 1 1 28 28 GLU CA C 28 55.550 55.550 55.525 0.025 19910 7603 1 15 . 1 1 28 28 GLU CB C 28 30.620 30.620 31.197 -0.577 19910 7604 1 15 . 1 1 28 28 GLU H H 28 7.400 7.400 7.843 -0.443 19910 7605 1 15 . 1 1 29 29 PHE N N 29 120.340 120.340 121.161 -0.821 19910 7606 1 15 . 1 1 29 29 PHE HA H 29 4.487 4.487 4.779 -0.292 19910 7607 1 15 . 1 1 29 29 PHE C C 29 174.580 174.580 175.773 -1.193 19910 7608 1 15 . 1 1 29 29 PHE CA C 29 55.790 55.790 55.306 0.484 19910 7609 1 15 . 1 1 29 29 PHE CB C 29 39.690 39.690 40.078 -0.388 19910 7610 1 15 . 1 1 29 29 PHE H H 29 7.820 7.820 8.066 -0.246 19910 7611 1 15 . 1 1 30 30 ASP N N 30 123.670 123.670 122.113 1.557 19910 7612 1 15 . 1 1 30 30 ASP HA H 30 4.817 4.817 5.149 -0.332 19910 7613 1 15 . 1 1 30 30 ASP C C 30 174.040 174.040 174.510 -0.470 19910 7614 1 15 . 1 1 30 30 ASP CA C 30 53.850 53.850 54.255 -0.405 19910 7615 1 15 . 1 1 30 30 ASP CB C 30 43.450 43.450 43.978 -0.528 19910 7616 1 15 . 1 1 30 30 ASP H H 30 8.420 8.420 8.871 -0.451 19910 7617 1 15 . 1 1 31 31 VAL N N 31 123.010 123.010 122.000 1.010 19910 7618 1 15 . 1 1 31 31 VAL HA H 31 4.768 4.768 4.908 -0.140 19910 7619 1 15 . 1 1 31 31 VAL C C 31 173.980 173.980 175.015 -1.035 19910 7620 1 15 . 1 1 31 31 VAL CA C 31 60.510 60.510 61.890 -1.380 19910 7621 1 15 . 1 1 31 31 VAL CB C 31 34.730 34.730 34.620 0.110 19910 7622 1 15 . 1 1 31 31 VAL H H 31 8.270 8.270 8.537 -0.267 19910 7623 1 15 . 1 1 32 32 TYR N N 32 127.340 127.340 127.194 0.146 19910 7624 1 15 . 1 1 32 32 TYR HA H 32 4.624 4.624 4.875 -0.251 19910 7625 1 15 . 1 1 32 32 TYR C C 32 172.990 172.990 174.080 -1.090 19910 7626 1 15 . 1 1 32 32 TYR CA C 32 56.520 56.520 57.082 -0.562 19910 7627 1 15 . 1 1 32 32 TYR CB C 32 41.870 41.870 40.666 1.204 19910 7628 1 15 . 1 1 32 32 TYR H H 32 8.920 8.920 9.448 -0.528 19910 7629 1 15 . 1 1 33 33 PHE N N 33 121.160 121.160 122.200 -1.040 19910 7630 1 15 . 1 1 33 33 PHE HA H 33 5.106 5.106 5.308 -0.202 19910 7631 1 15 . 1 1 33 33 PHE C C 33 173.100 173.100 174.670 -1.570 19910 7632 1 15 . 1 1 33 33 PHE CA C 33 55.310 55.310 55.643 -0.333 19910 7633 1 15 . 1 1 33 33 PHE CB C 33 40.420 40.420 41.288 -0.868 19910 7634 1 15 . 1 1 33 33 PHE H H 33 7.510 7.510 8.658 -1.148 19910 7635 1 15 . 1 1 34 34 GLU N N 34 120.460 120.460 123.314 -2.854 19910 7636 1 15 . 1 1 34 34 GLU HA H 34 4.099 4.099 4.790 -0.691 19910 7637 1 15 . 1 1 34 34 GLU C C 34 175.700 175.700 176.255 -0.555 19910 7638 1 15 . 1 1 34 34 GLU CA C 34 56.640 56.640 55.028 1.612 19910 7639 1 15 . 1 1 34 34 GLU CB C 34 31.340 31.340 30.609 0.731 19910 7640 1 15 . 1 1 34 34 GLU H H 34 8.190 8.190 8.949 -0.759 19910 7641 1 15 . 1 1 35 35 GLY N N 35 117.400 117.400 115.830 1.570 19910 7642 1 15 . 1 1 35 35 GLY C C 35 173.120 173.120 174.864 -1.744 19910 7643 1 15 . 1 1 35 35 GLY CA C 35 47.680 47.680 46.178 1.502 19910 7644 1 15 . 1 1 35 35 GLY H H 35 9.240 9.240 8.362 0.878 19910 7645 1 15 . 1 1 36 36 SER N N 36 122.510 122.510 118.309 4.201 19910 7646 1 15 . 1 1 36 36 SER HA H 36 4.795 4.795 4.280 0.515 19910 7647 1 15 . 1 1 36 36 SER C C 36 172.680 172.680 174.560 -1.880 19910 7648 1 15 . 1 1 36 36 SER CA C 36 57.360 57.360 60.474 -3.114 19910 7649 1 15 . 1 1 36 36 SER CB C 36 64.500 64.500 63.302 1.198 19910 7650 1 15 . 1 1 36 36 SER H H 36 8.930 8.930 8.557 0.373 19910 7651 1 15 . 1 1 37 37 ASP N N 37 123.120 123.120 123.867 -0.747 19910 7652 1 15 . 1 1 37 37 ASP HA H 37 5.192 5.192 4.868 0.324 19910 7653 1 15 . 1 1 37 37 ASP C C 37 174.170 174.170 174.173 -0.003 19910 7654 1 15 . 1 1 37 37 ASP CA C 37 54.340 54.340 55.256 -0.916 19910 7655 1 15 . 1 1 37 37 ASP CB C 37 43.810 43.810 41.624 2.186 19910 7656 1 15 . 1 1 37 37 ASP H H 37 8.600 8.600 7.778 0.822 19910 7657 1 15 . 1 1 38 38 PHE N N 38 122.850 122.850 127.297 -4.447 19910 7658 1 15 . 1 1 38 38 PHE HA H 38 5.053 5.053 5.245 -0.192 19910 7659 1 15 . 1 1 38 38 PHE C C 38 172.810 172.810 173.081 -0.271 19910 7660 1 15 . 1 1 38 38 PHE CA C 38 57.000 57.000 56.574 0.426 19910 7661 1 15 . 1 1 38 38 PHE CB C 38 43.080 43.080 42.248 0.832 19910 7662 1 15 . 1 1 38 38 PHE H H 38 8.340 8.340 8.907 -0.567 19910 7663 1 15 . 1 1 39 39 LYS N N 39 126.630 126.630 128.420 -1.790 19910 7664 1 15 . 1 1 39 39 LYS HA H 39 4.816 4.816 5.036 -0.220 19910 7665 1 15 . 1 1 39 39 LYS C C 39 172.540 172.540 174.390 -1.850 19910 7666 1 15 . 1 1 39 39 LYS CA C 39 54.890 54.890 54.460 0.430 19910 7667 1 15 . 1 1 39 39 LYS CB C 39 36.790 36.790 35.214 1.576 19910 7668 1 15 . 1 1 39 39 LYS H H 39 8.690 8.690 8.718 -0.028 19910 7669 1 15 . 1 1 40 40 PHE N N 40 123.910 123.910 124.278 -0.368 19910 7670 1 15 . 1 1 40 40 PHE HA H 40 4.923 4.923 4.862 0.061 19910 7671 1 15 . 1 1 40 40 PHE C C 40 171.900 171.900 173.602 -1.702 19910 7672 1 15 . 1 1 40 40 PHE CA C 40 55.910 55.910 54.818 1.092 19910 7673 1 15 . 1 1 40 40 PHE CB C 40 43.450 43.450 43.158 0.292 19910 7674 1 15 . 1 1 40 40 PHE H H 40 8.750 8.750 8.829 -0.079 19910 7675 1 15 . 1 1 41 41 TYR N N 41 126.490 126.490 124.118 2.372 19910 7676 1 15 . 1 1 41 41 TYR HA H 41 4.958 4.958 4.512 0.446 19910 7677 1 15 . 1 1 41 41 TYR C C 41 173.070 173.070 173.266 -0.196 19910 7678 1 15 . 1 1 41 41 TYR CA C 41 55.670 55.670 57.264 -1.595 19910 7679 1 15 . 1 1 41 41 TYR CB C 41 41.510 41.510 41.279 0.231 19910 7680 1 15 . 1 1 41 41 TYR H H 41 8.450 8.450 9.062 -0.612 19910 7681 1 15 . 1 1 42 42 ALA N N 42 129.720 129.720 126.153 3.567 19910 7682 1 15 . 1 1 42 42 ALA HA H 42 4.024 4.024 4.629 -0.605 19910 7683 1 15 . 1 1 42 42 ALA C C 42 174.350 174.350 176.303 -1.953 19910 7684 1 15 . 1 1 42 42 ALA CA C 42 51.190 51.190 49.751 1.439 19910 7685 1 15 . 1 1 42 42 ALA CB C 42 20.330 20.330 18.531 1.799 19910 7686 1 15 . 1 1 42 42 ALA H H 42 7.970 7.970 8.997 -1.027 19910 7687 1 15 . 1 1 43 43 LYS N N 43 124.250 124.250 123.242 1.008 19910 7688 1 15 . 1 1 43 43 LYS HA H 43 3.634 3.634 3.937 -0.303 19910 7689 1 15 . 1 1 43 43 LYS CA C 43 56.260 56.260 59.401 -3.141 19910 7690 1 15 . 1 1 43 43 LYS CB C 43 32.860 32.860 29.866 2.994 19910 7691 1 15 . 1 1 43 43 LYS H H 43 7.850 7.850 8.688 -0.838 19910 7692 1 15 . 1 1 44 44 PRO HA H 44 4.487 4.487 4.215 0.272 19910 7693 1 15 . 1 1 44 44 PRO C C 44 173.980 173.980 176.561 -2.581 19910 7694 1 15 . 1 1 44 44 PRO CA C 44 64.380 64.380 64.242 0.138 19910 7695 1 15 . 1 1 44 44 PRO CB C 44 34.010 34.010 31.823 2.187 19910 7696 1 15 . 1 1 45 45 TYR N N 45 126.840 126.840 119.529 7.311 19910 7697 1 15 . 1 1 45 45 TYR HA H 45 5.274 5.274 4.598 0.676 19910 7698 1 15 . 1 1 45 45 TYR C C 45 175.290 175.290 173.685 1.605 19910 7699 1 15 . 1 1 45 45 TYR CA C 45 58.330 58.330 56.471 1.859 19910 7700 1 15 . 1 1 45 45 TYR CB C 45 40.300 40.300 39.138 1.162 19910 7701 1 15 . 1 1 45 45 TYR H H 45 9.360 9.360 8.442 0.918 19910 7702 1 15 . 1 1 46 46 PHE N N 46 121.470 121.470 124.876 -3.406 19910 7703 1 15 . 1 1 46 46 PHE HA H 46 5.422 5.422 4.757 0.665 19910 7704 1 15 . 1 1 46 46 PHE C C 46 173.180 173.180 173.415 -0.235 19910 7705 1 15 . 1 1 46 46 PHE CA C 46 56.520 56.520 56.416 0.104 19910 7706 1 15 . 1 1 46 46 PHE CB C 46 43.930 43.930 41.592 2.338 19910 7707 1 15 . 1 1 46 46 PHE H H 46 8.870 8.870 8.872 -0.002 19910 7708 1 15 . 1 1 47 47 LEU N N 47 129.700 129.700 129.691 0.009 19910 7709 1 15 . 1 1 47 47 LEU HA H 47 4.565 4.565 4.318 0.247 19910 7710 1 15 . 1 1 47 47 LEU C C 47 171.770 171.770 174.106 -2.336 19910 7711 1 15 . 1 1 47 47 LEU CA C 47 53.130 53.130 53.499 -0.369 19910 7712 1 15 . 1 1 47 47 LEU CB C 47 47.560 47.560 45.127 2.433 19910 7713 1 15 . 1 1 47 47 LEU H H 47 8.850 8.850 7.909 0.941 19910 7714 1 15 . 1 1 48 48 ARG N N 48 127.760 127.760 126.798 0.962 19910 7715 1 15 . 1 1 48 48 ARG HA H 48 5.283 5.283 4.702 0.582 19910 7716 1 15 . 1 1 48 48 ARG C C 48 174.090 174.090 174.496 -0.406 19910 7717 1 15 . 1 1 48 48 ARG CA C 48 54.100 54.100 54.892 -0.792 19910 7718 1 15 . 1 1 48 48 ARG CB C 48 33.160 33.160 31.511 1.649 19910 7719 1 15 . 1 1 48 48 ARG H H 48 8.620 8.620 8.208 0.412 19910 7720 1 15 . 1 1 49 49 LEU N N 49 122.890 122.890 127.664 -4.774 19910 7721 1 15 . 1 1 49 49 LEU HA H 49 4.855 4.855 4.824 0.031 19910 7722 1 15 . 1 1 49 49 LEU C C 49 175.880 175.880 175.121 0.759 19910 7723 1 15 . 1 1 49 49 LEU CA C 49 52.880 52.880 54.106 -1.226 19910 7724 1 15 . 1 1 49 49 LEU CB C 49 47.800 47.800 46.970 0.830 19910 7725 1 15 . 1 1 49 49 LEU H H 49 8.970 8.970 8.846 0.124 19910 7726 1 15 . 1 1 50 50 THR N N 50 118.610 118.610 116.992 1.618 19910 7727 1 15 . 1 1 50 50 THR HA H 50 4.862 4.862 5.007 -0.145 19910 7728 1 15 . 1 1 50 50 THR C C 50 174.610 174.610 174.517 0.093 19910 7729 1 15 . 1 1 50 50 THR CA C 50 61.110 61.110 61.403 -0.293 19910 7730 1 15 . 1 1 50 50 THR CB C 50 69.220 69.220 68.991 0.229 19910 7731 1 15 . 1 1 50 50 THR H H 50 8.670 8.670 8.382 0.288 19910 7732 1 15 . 1 1 51 51 LEU N N 51 126.300 126.300 126.078 0.222 19910 7733 1 15 . 1 1 51 51 LEU HA H 51 4.302 4.302 4.480 -0.178 19910 7734 1 15 . 1 1 51 51 LEU CA C 51 52.650 52.650 53.299 -0.649 19910 7735 1 15 . 1 1 51 51 LEU CB C 51 41.950 41.950 41.930 0.020 19910 7736 1 15 . 1 1 51 51 LEU H H 51 9.540 9.540 8.866 0.674 19910 7737 1 15 . 1 1 52 52 PRO HA H 52 4.401 4.401 4.288 0.113 19910 7738 1 15 . 1 1 52 52 PRO C C 52 174.240 174.240 175.040 -0.800 19910 7739 1 15 . 1 1 52 52 PRO CA C 52 62.690 62.690 61.964 0.726 19910 7740 1 15 . 1 1 52 52 PRO CB C 52 30.620 30.620 29.819 0.801 19910 7741 1 15 . 1 1 53 53 GLY N N 53 105.990 105.990 108.860 -2.870 19910 7742 1 15 . 1 1 53 53 GLY C C 53 170.520 170.520 171.624 -1.104 19910 7743 1 15 . 1 1 53 53 GLY CA C 53 43.450 43.450 44.883 -1.433 19910 7744 1 15 . 1 1 53 53 GLY H H 53 6.550 6.550 7.550 -1.000 19910 7745 1 15 . 1 1 54 54 ARG N N 54 115.660 115.660 120.014 -4.354 19910 7746 1 15 . 1 1 54 54 ARG HA H 54 4.347 4.347 4.807 -0.460 19910 7747 1 15 . 1 1 54 54 ARG C C 54 176.940 176.940 174.765 2.175 19910 7748 1 15 . 1 1 54 54 ARG CA C 54 55.890 55.890 54.816 1.074 19910 7749 1 15 . 1 1 54 54 ARG CB C 54 32.310 32.310 33.803 -1.493 19910 7750 1 15 . 1 1 54 54 ARG H H 54 8.210 8.210 8.639 -0.429 19910 7751 1 15 . 1 1 55 55 ILE N N 55 118.910 118.910 123.887 -4.977 19910 7752 1 15 . 1 1 55 55 ILE HA H 55 5.003 5.003 4.635 0.368 19910 7753 1 15 . 1 1 55 55 ILE C C 55 175.310 175.310 175.903 -0.593 19910 7754 1 15 . 1 1 55 55 ILE CA C 55 58.500 58.500 58.237 0.263 19910 7755 1 15 . 1 1 55 55 ILE CB C 55 40.950 40.950 38.847 2.103 19910 7756 1 15 . 1 1 55 55 ILE H H 55 8.640 8.640 8.632 0.008 19910 7757 1 15 . 1 1 56 56 VAL N N 56 118.140 118.140 126.193 -8.053 19910 7758 1 15 . 1 1 56 56 VAL HA H 56 4.438 4.438 4.015 0.423 19910 7759 1 15 . 1 1 56 56 VAL C C 56 172.920 172.920 175.126 -2.206 19910 7760 1 15 . 1 1 56 56 VAL CA C 56 60.510 60.510 63.134 -2.624 19910 7761 1 15 . 1 1 56 56 VAL CB C 56 34.850 34.850 32.772 2.078 19910 7762 1 15 . 1 1 56 56 VAL H H 56 8.330 8.330 7.908 0.422 19910 7763 1 15 . 1 1 57 57 GLU N N 57 123.300 123.300 125.922 -2.622 19910 7764 1 15 . 1 1 57 57 GLU HA H 57 4.358 4.358 4.905 -0.547 19910 7765 1 15 . 1 1 57 57 GLU C C 57 176.350 176.350 175.405 0.945 19910 7766 1 15 . 1 1 57 57 GLU CA C 57 55.890 55.890 56.011 -0.121 19910 7767 1 15 . 1 1 57 57 GLU CB C 57 29.880 29.880 31.428 -1.548 19910 7768 1 15 . 1 1 57 57 GLU H H 57 8.380 8.380 8.794 -0.414 19910 7769 1 15 . 1 1 58 58 ASN N N 58 121.570 121.570 122.375 -0.805 19910 7770 1 15 . 1 1 58 58 ASN HA H 58 4.764 4.764 4.814 -0.050 19910 7771 1 15 . 1 1 58 58 ASN C C 58 176.120 176.120 175.484 0.636 19910 7772 1 15 . 1 1 58 58 ASN CA C 58 52.760 52.760 53.865 -1.105 19910 7773 1 15 . 1 1 58 58 ASN CB C 58 38.970 38.970 38.990 -0.020 19910 7774 1 15 . 1 1 58 58 ASN H H 58 8.360 8.360 8.947 -0.587 19910 7775 1 15 . 1 1 59 59 GLY N N 59 112.050 112.050 107.990 4.060 19910 7776 1 15 . 1 1 59 59 GLY C C 59 174.840 174.840 174.052 0.788 19910 7777 1 15 . 1 1 59 59 GLY CA C 59 45.380 45.380 45.399 -0.019 19910 7778 1 15 . 1 1 59 59 GLY H H 59 9.350 9.350 8.625 0.725 19910 7779 1 15 . 1 1 60 60 SER N N 60 115.430 115.430 120.918 -5.488 19910 7780 1 15 . 1 1 60 60 SER HA H 60 4.536 4.536 4.491 0.045 19910 7781 1 15 . 1 1 60 60 SER C C 60 174.140 174.140 173.712 0.428 19910 7782 1 15 . 1 1 60 60 SER CA C 60 58.810 58.810 59.188 -0.378 19910 7783 1 15 . 1 1 60 60 SER CB C 60 64.140 64.140 63.077 1.063 19910 7784 1 15 . 1 1 60 60 SER H H 60 8.350 8.350 8.165 0.185 19910 7785 1 15 . 1 1 61 61 GLU N N 61 122.950 122.950 121.784 1.166 19910 7786 1 15 . 1 1 61 61 GLU HA H 61 4.525 4.525 4.444 0.081 19910 7787 1 15 . 1 1 61 61 GLU C C 61 175.550 175.550 174.811 0.739 19910 7788 1 15 . 1 1 61 61 GLU CA C 61 56.520 56.520 55.629 0.891 19910 7789 1 15 . 1 1 61 61 GLU CB C 61 29.530 29.530 31.718 -2.188 19910 7790 1 15 . 1 1 61 61 GLU H H 61 8.910 8.910 8.295 0.615 19910 7791 1 15 . 1 1 62 62 GLN N N 62 120.280 120.280 119.252 1.028 19910 7792 1 15 . 1 1 62 62 GLN HA H 62 4.601 4.601 4.641 -0.040 19910 7793 1 15 . 1 1 62 62 GLN C C 62 175.700 175.700 174.621 1.079 19910 7794 1 15 . 1 1 62 62 GLN CA C 62 55.430 55.430 55.119 0.311 19910 7795 1 15 . 1 1 62 62 GLN CB C 62 31.340 31.340 32.962 -1.622 19910 7796 1 15 . 1 1 62 62 GLN H H 62 8.310 8.310 8.425 -0.115 19910 7797 1 15 . 1 1 63 63 GLY N N 63 111.400 111.400 109.530 1.870 19910 7798 1 15 . 1 1 63 63 GLY C C 63 172.550 172.550 173.286 -0.736 19910 7799 1 15 . 1 1 63 63 GLY CA C 63 44.690 44.690 45.053 -0.363 19910 7800 1 15 . 1 1 63 63 GLY H H 63 8.880 8.880 8.379 0.501 19910 7801 1 15 . 1 1 64 64 SER N N 64 115.080 115.080 120.005 -4.925 19910 7802 1 15 . 1 1 64 64 SER HA H 64 4.629 4.629 4.784 -0.155 19910 7803 1 15 . 1 1 64 64 SER C C 64 171.770 171.770 173.026 -1.256 19910 7804 1 15 . 1 1 64 64 SER CA C 64 57.120 57.120 58.219 -1.099 19910 7805 1 15 . 1 1 64 64 SER CB C 64 65.230 65.230 65.332 -0.102 19910 7806 1 15 . 1 1 64 64 SER H H 64 8.280 8.280 8.740 -0.460 19910 7807 1 15 . 1 1 65 65 TYR N N 65 124.640 124.640 128.238 -3.598 19910 7808 1 15 . 1 1 65 65 TYR HA H 65 5.198 5.198 5.273 -0.075 19910 7809 1 15 . 1 1 65 65 TYR C C 65 173.640 173.640 174.586 -0.946 19910 7810 1 15 . 1 1 65 65 TYR CA C 65 55.670 55.670 56.426 -0.756 19910 7811 1 15 . 1 1 65 65 TYR CB C 65 40.900 40.900 40.130 0.770 19910 7812 1 15 . 1 1 65 65 TYR H H 65 8.980 8.980 8.686 0.294 19910 7813 1 15 . 1 1 66 66 ASP N N 66 128.570 128.570 128.451 0.119 19910 7814 1 15 . 1 1 66 66 ASP HA H 66 4.532 4.532 4.642 -0.110 19910 7815 1 15 . 1 1 66 66 ASP C C 66 175.340 175.340 175.131 0.209 19910 7816 1 15 . 1 1 66 66 ASP CA C 66 51.800 51.800 53.077 -1.277 19910 7817 1 15 . 1 1 66 66 ASP CB C 66 41.510 41.510 43.074 -1.564 19910 7818 1 15 . 1 1 66 66 ASP H H 66 8.000 8.000 8.627 -0.627 19910 7819 1 15 . 1 1 67 67 ALA N N 67 127.520 127.520 127.833 -0.313 19910 7820 1 15 . 1 1 67 67 ALA HA H 67 3.597 3.597 4.015 -0.418 19910 7821 1 15 . 1 1 67 67 ALA C C 67 178.770 178.770 177.797 0.973 19910 7822 1 15 . 1 1 67 67 ALA CA C 67 53.850 53.850 54.794 -0.945 19910 7823 1 15 . 1 1 67 67 ALA CB C 67 18.640 18.640 19.288 -0.648 19910 7824 1 15 . 1 1 67 67 ALA H H 67 8.460 8.460 8.126 0.334 19910 7825 1 15 . 1 1 68 68 ASP N N 68 117.850 117.850 118.843 -0.993 19910 7826 1 15 . 1 1 68 68 ASP HA H 68 4.340 4.340 4.334 0.006 19910 7827 1 15 . 1 1 68 68 ASP C C 68 177.780 177.780 177.217 0.563 19910 7828 1 15 . 1 1 68 68 ASP CA C 68 56.760 56.760 57.018 -0.258 19910 7829 1 15 . 1 1 68 68 ASP CB C 68 40.900 40.900 39.968 0.932 19910 7830 1 15 . 1 1 68 68 ASP H H 68 7.980 7.980 8.556 -0.576 19910 7831 1 15 . 1 1 69 69 LYS N N 69 115.790 115.790 117.373 -1.583 19910 7832 1 15 . 1 1 69 69 LYS HA H 69 4.119 4.119 4.484 -0.365 19910 7833 1 15 . 1 1 69 69 LYS C C 69 177.130 177.130 176.916 0.214 19910 7834 1 15 . 1 1 69 69 LYS CA C 69 56.150 56.150 56.289 -0.139 19910 7835 1 15 . 1 1 69 69 LYS CB C 69 34.010 34.010 32.925 1.085 19910 7836 1 15 . 1 1 69 69 LYS H H 69 7.390 7.390 7.827 -0.437 19910 7837 1 15 . 1 1 70 70 GLY N N 70 110.040 110.040 109.869 0.171 19910 7838 1 15 . 1 1 70 70 GLY C C 70 174.040 174.040 173.538 0.502 19910 7839 1 15 . 1 1 70 70 GLY CA C 70 46.830 46.830 45.826 1.004 19910 7840 1 15 . 1 1 70 70 GLY H H 70 8.030 8.030 8.186 -0.156 19910 7841 1 15 . 1 1 71 71 ILE N N 71 115.810 115.810 119.837 -4.027 19910 7842 1 15 . 1 1 71 71 ILE HA H 71 4.861 4.861 4.546 0.315 19910 7843 1 15 . 1 1 71 71 ILE C C 71 175.520 175.520 174.125 1.395 19910 7844 1 15 . 1 1 71 71 ILE CA C 71 59.420 59.420 59.367 0.053 19910 7845 1 15 . 1 1 71 71 ILE CB C 71 42.240 42.240 39.549 2.691 19910 7846 1 15 . 1 1 71 71 ILE H H 71 6.990 6.990 8.218 -1.228 19910 7847 1 15 . 1 1 72 72 PHE N N 72 132.630 132.630 130.358 2.272 19910 7848 1 15 . 1 1 72 72 PHE HA H 72 5.377 5.377 5.490 -0.113 19910 7849 1 15 . 1 1 72 72 PHE C C 72 173.310 173.310 173.911 -0.601 19910 7850 1 15 . 1 1 72 72 PHE CA C 72 56.150 56.150 54.938 1.212 19910 7851 1 15 . 1 1 72 72 PHE CB C 72 41.630 41.630 41.647 -0.017 19910 7852 1 15 . 1 1 72 72 PHE H H 72 9.720 9.720 9.265 0.455 19910 7853 1 15 . 1 1 73 73 THR N N 73 124.190 124.190 124.998 -0.808 19910 7854 1 15 . 1 1 73 73 THR HA H 73 5.047 5.047 5.040 0.007 19910 7855 1 15 . 1 1 73 73 THR C C 73 172.660 172.660 172.941 -0.281 19910 7856 1 15 . 1 1 73 73 THR CA C 73 61.480 61.480 60.916 0.564 19910 7857 1 15 . 1 1 73 73 THR CB C 73 69.950 69.950 70.217 -0.267 19910 7858 1 15 . 1 1 73 73 THR H H 73 8.610 8.610 9.011 -0.401 19910 7859 1 15 . 1 1 74 74 ILE N N 74 125.780 125.780 127.518 -1.738 19910 7860 1 15 . 1 1 74 74 ILE HA H 74 4.557 4.557 4.996 -0.439 19910 7861 1 15 . 1 1 74 74 ILE C C 74 171.480 171.480 173.524 -2.044 19910 7862 1 15 . 1 1 74 74 ILE CA C 74 59.060 59.060 58.805 0.255 19910 7863 1 15 . 1 1 74 74 ILE CB C 74 41.510 41.510 41.493 0.017 19910 7864 1 15 . 1 1 74 74 ILE H H 74 8.850 8.850 8.150 0.700 19910 7865 1 15 . 1 1 75 75 ARG N N 75 127.330 127.330 127.764 -0.434 19910 7866 1 15 . 1 1 75 75 ARG HA H 75 4.859 4.859 4.593 0.266 19910 7867 1 15 . 1 1 75 75 ARG C C 75 174.790 174.790 174.983 -0.193 19910 7868 1 15 . 1 1 75 75 ARG CA C 75 54.460 54.460 54.943 -0.483 19910 7869 1 15 . 1 1 75 75 ARG CB C 75 31.460 31.460 31.228 0.232 19910 7870 1 15 . 1 1 75 75 ARG H H 75 8.320 8.320 8.495 -0.175 19910 7871 1 15 . 1 1 76 76 LEU N N 76 125.120 125.120 120.918 4.202 19910 7872 1 15 . 1 1 76 76 LEU HA H 76 4.819 4.819 4.870 -0.051 19910 7873 1 15 . 1 1 76 76 LEU CA C 76 50.530 50.530 51.472 -0.942 19910 7874 1 15 . 1 1 76 76 LEU CB C 76 43.070 43.070 44.681 -1.611 19910 7875 1 15 . 1 1 76 76 LEU H H 76 9.300 9.300 8.087 1.213 19910 7876 1 15 . 1 1 77 77 PRO HA H 77 4.114 4.114 4.782 -0.668 19910 7877 1 15 . 1 1 77 77 PRO C C 77 176.430 176.430 176.363 0.067 19910 7878 1 15 . 1 1 77 77 PRO CA C 77 62.080 62.080 61.495 0.585 19910 7879 1 15 . 1 1 77 77 PRO CB C 77 31.220 31.220 32.710 -1.490 19910 7880 1 15 . 1 1 78 78 LYS N N 78 122.800 122.800 119.248 3.552 19910 7881 1 15 . 1 1 78 78 LYS HA H 78 4.062 4.062 4.389 -0.327 19910 7882 1 15 . 1 1 78 78 LYS C C 78 176.590 176.590 176.602 -0.012 19910 7883 1 15 . 1 1 78 78 LYS CA C 78 57.730 57.730 54.800 2.930 19910 7884 1 15 . 1 1 78 78 LYS CB C 78 32.800 32.800 33.434 -0.634 19910 7885 1 15 . 1 1 78 78 LYS H H 78 7.790 7.790 7.715 0.075 19910 7886 1 15 . 1 1 79 79 GLU N N 79 124.540 124.540 122.243 2.297 19910 7887 1 15 . 1 1 79 79 GLU HA H 79 3.689 3.689 4.259 -0.570 19910 7888 1 15 . 1 1 79 79 GLU C C 79 176.300 176.300 175.899 0.401 19910 7889 1 15 . 1 1 79 79 GLU CA C 79 59.420 59.420 57.357 2.063 19910 7890 1 15 . 1 1 79 79 GLU CB C 79 30.500 30.500 30.291 0.209 19910 7891 1 15 . 1 1 79 79 GLU H H 79 8.520 8.520 8.731 -0.211 19910 7892 1 15 . 1 1 80 80 THR N N 80 115.960 115.960 116.938 -0.978 19910 7893 1 15 . 1 1 80 80 THR HA H 80 4.485 4.485 4.700 -0.215 19910 7894 1 15 . 1 1 80 80 THR CA C 80 59.120 59.120 59.385 -0.265 19910 7895 1 15 . 1 1 80 80 THR CB C 80 69.330 69.330 70.369 -1.039 19910 7896 1 15 . 1 1 80 80 THR H H 80 9.070 9.070 7.780 1.290 19910 7897 1 15 . 1 1 81 81 PRO HA H 81 4.070 4.070 4.114 -0.044 19910 7898 1 15 . 1 1 81 81 PRO C C 81 177.860 177.860 177.873 -0.013 19910 7899 1 15 . 1 1 81 81 PRO CA C 81 63.900 63.900 63.611 0.289 19910 7900 1 15 . 1 1 81 81 PRO CB C 81 31.460 31.460 31.828 -0.368 19910 7901 1 15 . 1 1 82 82 GLY N N 82 113.580 113.580 112.618 0.962 19910 7902 1 15 . 1 1 82 82 GLY C C 82 174.870 174.870 174.472 0.398 19910 7903 1 15 . 1 1 82 82 GLY CA C 82 45.140 45.140 45.215 -0.075 19910 7904 1 15 . 1 1 82 82 GLY H H 82 9.150 9.150 8.287 0.863 19910 7905 1 15 . 1 1 83 83 GLN N N 83 122.820 122.820 121.199 1.621 19910 7906 1 15 . 1 1 83 83 GLN HA H 83 4.159 4.159 4.232 -0.073 19910 7907 1 15 . 1 1 83 83 GLN C C 83 175.180 175.180 175.150 0.030 19910 7908 1 15 . 1 1 83 83 GLN CA C 83 56.390 56.390 55.554 0.836 19910 7909 1 15 . 1 1 83 83 GLN CB C 83 29.410 29.410 29.279 0.132 19910 7910 1 15 . 1 1 83 83 GLN H H 83 7.960 7.960 7.566 0.394 19910 7911 1 15 . 1 1 84 84 HIS N N 84 131.340 131.340 126.963 4.377 19910 7912 1 15 . 1 1 84 84 HIS HA H 84 4.299 4.299 4.790 -0.491 19910 7913 1 15 . 1 1 84 84 HIS C C 84 175.300 175.300 174.060 1.240 19910 7914 1 15 . 1 1 84 84 HIS CA C 84 56.640 56.640 54.431 2.209 19910 7915 1 15 . 1 1 84 84 HIS CB C 84 30.980 30.980 32.327 -1.347 19910 7916 1 15 . 1 1 84 84 HIS H H 84 9.220 9.220 8.636 0.584 19910 7917 1 15 . 1 1 85 85 PHE N N 85 130.320 130.320 127.064 3.256 19910 7918 1 15 . 1 1 85 85 PHE HA H 85 4.722 4.722 4.749 -0.027 19910 7919 1 15 . 1 1 85 85 PHE C C 85 174.890 174.890 175.680 -0.790 19910 7920 1 15 . 1 1 85 85 PHE CA C 85 54.580 54.580 55.960 -1.380 19910 7921 1 15 . 1 1 85 85 PHE CB C 85 36.430 36.430 37.277 -0.847 19910 7922 1 15 . 1 1 85 85 PHE H H 85 9.130 9.130 8.911 0.219 19910 7923 1 15 . 1 1 86 86 GLU N N 86 126.010 126.010 123.853 2.157 19910 7924 1 15 . 1 1 86 86 GLU HA H 86 4.199 4.199 4.184 0.015 19910 7925 1 15 . 1 1 86 86 GLU C C 86 177.000 177.000 177.355 -0.355 19910 7926 1 15 . 1 1 86 86 GLU CA C 86 55.910 55.910 56.662 -0.752 19910 7927 1 15 . 1 1 86 86 GLU CB C 86 30.620 30.620 30.528 0.092 19910 7928 1 15 . 1 1 86 86 GLU H H 86 8.900 8.900 7.865 1.035 19910 7929 1 15 . 1 1 87 87 GLY N N 87 108.540 108.540 107.996 0.544 19910 7930 1 15 . 1 1 87 87 GLY C C 87 177.370 177.370 175.352 2.018 19910 7931 1 15 . 1 1 87 87 GLY CA C 87 46.590 46.590 46.233 0.357 19910 7932 1 15 . 1 1 87 87 GLY H H 87 8.610 8.610 8.742 -0.132 19910 7933 1 15 . 1 1 88 88 LEU N N 88 119.830 119.830 120.758 -0.928 19910 7934 1 15 . 1 1 88 88 LEU HA H 88 3.775 3.775 4.007 -0.232 19910 7935 1 15 . 1 1 88 88 LEU C C 88 177.500 177.500 177.408 0.092 19910 7936 1 15 . 1 1 88 88 LEU CA C 88 57.850 57.850 57.663 0.187 19910 7937 1 15 . 1 1 88 88 LEU CB C 88 40.780 40.780 41.922 -1.143 19910 7938 1 15 . 1 1 88 88 LEU H H 88 8.370 8.370 7.740 0.630 19910 7939 1 15 . 1 1 89 89 ASN N N 89 112.390 112.390 116.196 -3.806 19910 7940 1 15 . 1 1 89 89 ASN HA H 89 4.524 4.524 4.616 -0.092 19910 7941 1 15 . 1 1 89 89 ASN C C 89 175.440 175.440 174.843 0.597 19910 7942 1 15 . 1 1 89 89 ASN CA C 89 54.340 54.340 53.903 0.437 19910 7943 1 15 . 1 1 89 89 ASN CB C 89 37.030 37.030 38.584 -1.554 19910 7944 1 15 . 1 1 89 89 ASN H H 89 8.470 8.470 8.250 0.220 19910 7945 1 15 . 1 1 90 90 MET N N 90 117.460 117.460 117.672 -0.212 19910 7946 1 15 . 1 1 90 90 MET HA H 90 4.626 4.626 4.620 0.006 19910 7947 1 15 . 1 1 90 90 MET C C 90 176.040 176.040 175.827 0.213 19910 7948 1 15 . 1 1 90 90 MET CA C 90 54.340 54.340 55.679 -1.339 19910 7949 1 15 . 1 1 90 90 MET CB C 90 32.550 32.550 33.747 -1.197 19910 7950 1 15 . 1 1 90 90 MET H H 90 7.460 7.460 7.489 -0.029 19910 7951 1 15 . 1 1 91 91 LEU N N 91 121.330 121.330 121.513 -0.183 19910 7952 1 15 . 1 1 91 91 LEU HA H 91 4.277 4.277 4.212 0.065 19910 7953 1 15 . 1 1 91 91 LEU C C 91 176.870 176.870 176.078 0.792 19910 7954 1 15 . 1 1 91 91 LEU CA C 91 56.390 56.390 55.994 0.396 19910 7955 1 15 . 1 1 91 91 LEU CB C 91 42.480 42.480 42.257 0.223 19910 7956 1 15 . 1 1 91 91 LEU H H 91 7.280 7.280 8.182 -0.902 19910 7957 1 15 . 1 1 92 92 THR N N 92 113.970 113.970 112.254 1.716 19910 7958 1 15 . 1 1 92 92 THR HA H 92 4.582 4.582 4.461 0.121 19910 7959 1 15 . 1 1 92 92 THR C C 92 173.180 173.180 173.191 -0.011 19910 7960 1 15 . 1 1 92 92 THR CA C 92 60.390 60.390 61.013 -0.623 19910 7961 1 15 . 1 1 92 92 THR CB C 92 71.160 71.160 70.958 0.202 19910 7962 1 15 . 1 1 92 92 THR H H 92 8.110 8.110 8.188 -0.078 19910 7963 1 15 . 1 1 93 93 ALA N N 93 124.650 124.650 126.973 -2.323 19910 7964 1 15 . 1 1 93 93 ALA HA H 93 4.245 4.245 4.615 -0.370 19910 7965 1 15 . 1 1 93 93 ALA C C 93 177.650 177.650 177.918 -0.268 19910 7966 1 15 . 1 1 93 93 ALA CA C 93 52.640 52.640 51.478 1.162 19910 7967 1 15 . 1 1 93 93 ALA CB C 93 19.670 19.670 19.771 -0.101 19910 7968 1 15 . 1 1 93 93 ALA H H 93 8.430 8.430 8.342 0.088 19910 7969 1 15 . 1 1 94 94 LEU N N 94 123.150 123.150 120.547 2.603 19910 7970 1 15 . 1 1 94 94 LEU HA H 94 4.450 4.450 4.743 -0.293 19910 7971 1 15 . 1 1 94 94 LEU C C 94 177.420 177.420 176.573 0.847 19910 7972 1 15 . 1 1 94 94 LEU CA C 94 54.940 54.940 54.526 0.414 19910 7973 1 15 . 1 1 94 94 LEU CB C 94 42.480 42.480 42.926 -0.446 19910 7974 1 15 . 1 1 94 94 LEU H H 94 8.450 8.450 8.160 0.290 19910 7975 1 15 . 1 1 95 95 LEU N N 95 124.390 124.390 125.109 -0.719 19910 7976 1 15 . 1 1 95 95 LEU HA H 95 4.409 4.409 4.526 -0.117 19910 7977 1 15 . 1 1 95 95 LEU C C 95 175.990 175.990 177.278 -1.288 19910 7978 1 15 . 1 1 95 95 LEU CA C 95 55.060 55.060 54.812 0.248 19910 7979 1 15 . 1 1 95 95 LEU CB C 95 42.360 42.360 41.757 0.603 19910 7980 1 15 . 1 1 95 95 LEU H H 95 8.380 8.380 8.525 -0.145 19910 7981 1 16 . 1 1 2 2 LEU N N 2 123.170 123.170 124.411 -1.241 19910 7982 1 16 . 1 1 2 2 LEU HA H 2 4.588 4.588 4.817 -0.229 19910 7983 1 16 . 1 1 2 2 LEU C C 2 176.260 176.260 176.740 -0.480 19910 7984 1 16 . 1 1 2 2 LEU CA C 2 53.730 53.730 55.139 -1.409 19910 7985 1 16 . 1 1 2 2 LEU CB C 2 44.290 44.290 42.839 1.451 19910 7986 1 16 . 1 1 2 2 LEU H H 2 8.690 8.690 8.149 0.541 19910 7987 1 16 . 1 1 3 3 THR N N 3 120.960 120.960 119.261 1.699 19910 7988 1 16 . 1 1 3 3 THR HA H 3 5.193 5.193 4.568 0.625 19910 7989 1 16 . 1 1 3 3 THR CA C 3 59.990 59.990 60.960 -0.970 19910 7990 1 16 . 1 1 3 3 THR CB C 3 69.950 69.950 68.755 1.195 19910 7991 1 16 . 1 1 3 3 THR H H 3 8.850 8.850 8.262 0.588 19910 7992 1 16 . 1 1 4 4 PRO HA H 4 4.718 4.718 4.311 0.407 19910 7993 1 16 . 1 1 4 4 PRO C C 4 175.870 175.870 177.027 -1.157 19910 7994 1 16 . 1 1 4 4 PRO CA C 4 62.080 62.080 63.168 -1.088 19910 7995 1 16 . 1 1 4 4 PRO CB C 4 31.950 31.950 32.051 -0.101 19910 7996 1 16 . 1 1 5 5 ALA N N 5 122.560 122.560 127.536 -4.976 19910 7997 1 16 . 1 1 5 5 ALA HA H 5 4.348 4.348 4.278 0.070 19910 7998 1 16 . 1 1 5 5 ALA C C 5 176.360 176.360 176.585 -0.225 19910 7999 1 16 . 1 1 5 5 ALA CA C 5 52.280 52.280 51.160 1.120 19910 8000 1 16 . 1 1 5 5 ALA CB C 5 18.880 18.880 17.661 1.219 19910 8001 1 16 . 1 1 5 5 ALA H H 5 8.400 8.400 8.423 -0.023 19910 8002 1 16 . 1 1 6 6 PHE N N 6 115.160 115.160 119.672 -4.512 19910 8003 1 16 . 1 1 6 6 PHE HA H 6 5.537 5.537 5.334 0.203 19910 8004 1 16 . 1 1 6 6 PHE C C 6 172.590 172.590 175.310 -2.720 19910 8005 1 16 . 1 1 6 6 PHE CA C 6 55.430 55.430 55.985 -0.555 19910 8006 1 16 . 1 1 6 6 PHE CB C 6 42.240 42.240 40.620 1.620 19910 8007 1 16 . 1 1 6 6 PHE H H 6 7.740 7.740 7.600 0.140 19910 8008 1 16 . 1 1 7 7 ASP N N 7 118.960 118.960 119.146 -0.186 19910 8009 1 16 . 1 1 7 7 ASP HA H 7 4.813 4.813 4.932 -0.119 19910 8010 1 16 . 1 1 7 7 ASP C C 7 174.530 174.530 173.664 0.866 19910 8011 1 16 . 1 1 7 7 ASP CA C 7 53.370 53.370 53.510 -0.140 19910 8012 1 16 . 1 1 7 7 ASP CB C 7 45.380 45.380 44.264 1.116 19910 8013 1 16 . 1 1 7 7 ASP H H 7 8.910 8.910 8.952 -0.042 19910 8014 1 16 . 1 1 8 8 LEU N N 8 123.470 123.470 120.976 2.494 19910 8015 1 16 . 1 1 8 8 LEU HA H 8 5.284 5.284 4.669 0.615 19910 8016 1 16 . 1 1 8 8 LEU C C 8 175.420 175.420 176.307 -0.887 19910 8017 1 16 . 1 1 8 8 LEU CA C 8 53.850 53.850 53.862 -0.012 19910 8018 1 16 . 1 1 8 8 LEU CB C 8 45.620 45.620 44.227 1.393 19910 8019 1 16 . 1 1 8 8 LEU H H 8 8.750 8.750 8.320 0.430 19910 8020 1 16 . 1 1 9 9 SER N N 9 115.920 115.920 117.825 -1.905 19910 8021 1 16 . 1 1 9 9 SER HA H 9 4.486 4.486 4.769 -0.283 19910 8022 1 16 . 1 1 9 9 SER C C 9 171.680 171.680 173.075 -1.395 19910 8023 1 16 . 1 1 9 9 SER CA C 9 57.000 57.000 56.819 0.181 19910 8024 1 16 . 1 1 9 9 SER CB C 9 65.590 65.590 66.043 -0.453 19910 8025 1 16 . 1 1 9 9 SER H H 9 8.860 8.860 8.779 0.081 19910 8026 1 16 . 1 1 10 10 GLN N N 10 115.230 115.230 122.218 -6.988 19910 8027 1 16 . 1 1 10 10 GLN HA H 10 5.375 5.375 4.460 0.915 19910 8028 1 16 . 1 1 10 10 GLN C C 10 172.130 172.130 173.458 -1.328 19910 8029 1 16 . 1 1 10 10 GLN CA C 10 54.270 54.270 54.640 -0.370 19910 8030 1 16 . 1 1 10 10 GLN CB C 10 32.990 32.990 31.470 1.520 19910 8031 1 16 . 1 1 10 10 GLN H H 10 8.800 8.800 8.393 0.407 19910 8032 1 16 . 1 1 11 11 ASP N N 11 124.270 124.270 122.644 1.626 19910 8033 1 16 . 1 1 11 11 ASP HA H 11 4.768 4.768 5.338 -0.570 19910 8034 1 16 . 1 1 11 11 ASP CA C 11 52.530 52.530 50.944 1.586 19910 8035 1 16 . 1 1 11 11 ASP CB C 11 42.200 42.200 43.931 -1.730 19910 8036 1 16 . 1 1 11 11 ASP H H 11 8.680 8.680 8.873 -0.193 19910 8037 1 16 . 1 1 12 12 PRO HA H 12 4.050 4.050 4.495 -0.445 19910 8038 1 16 . 1 1 12 12 PRO C C 12 175.290 175.290 175.765 -0.475 19910 8039 1 16 . 1 1 12 12 PRO CA C 12 66.920 66.920 64.453 2.467 19910 8040 1 16 . 1 1 12 12 PRO CB C 12 31.950 31.950 32.180 -0.230 19910 8041 1 16 . 1 1 13 13 ASP N N 13 110.550 110.550 114.102 -3.552 19910 8042 1 16 . 1 1 13 13 ASP HA H 13 4.632 4.632 4.556 0.076 19910 8043 1 16 . 1 1 13 13 ASP C C 13 176.480 176.480 174.427 2.053 19910 8044 1 16 . 1 1 13 13 ASP CA C 13 54.940 54.940 53.742 1.198 19910 8045 1 16 . 1 1 13 13 ASP CB C 13 44.410 44.410 42.350 2.060 19910 8046 1 16 . 1 1 13 13 ASP H H 13 7.990 7.990 8.394 -0.404 19910 8047 1 16 . 1 1 14 14 PHE N N 14 118.880 118.880 116.310 2.570 19910 8048 1 16 . 1 1 14 14 PHE HA H 14 5.049 5.049 4.862 0.187 19910 8049 1 16 . 1 1 14 14 PHE C C 14 174.690 174.690 173.037 1.653 19910 8050 1 16 . 1 1 14 14 PHE CA C 14 57.600 57.600 57.527 0.073 19910 8051 1 16 . 1 1 14 14 PHE CB C 14 42.960 42.960 42.780 0.180 19910 8052 1 16 . 1 1 14 14 PHE H H 14 8.390 8.390 7.849 0.541 19910 8053 1 16 . 1 1 15 15 LEU N N 15 123.990 123.990 121.572 2.418 19910 8054 1 16 . 1 1 15 15 LEU HA H 15 4.613 4.613 4.721 -0.108 19910 8055 1 16 . 1 1 15 15 LEU C C 15 174.780 174.780 174.714 0.066 19910 8056 1 16 . 1 1 15 15 LEU CA C 15 53.250 53.250 54.403 -1.153 19910 8057 1 16 . 1 1 15 15 LEU CB C 15 45.020 45.020 44.958 0.062 19910 8058 1 16 . 1 1 15 15 LEU H H 15 9.200 9.200 9.121 0.079 19910 8059 1 16 . 1 1 16 16 THR N N 16 122.960 122.960 123.675 -0.715 19910 8060 1 16 . 1 1 16 16 THR HA H 16 4.849 4.849 5.093 -0.244 19910 8061 1 16 . 1 1 16 16 THR C C 16 172.810 172.810 173.651 -0.841 19910 8062 1 16 . 1 1 16 16 THR CA C 16 62.690 62.690 61.576 1.114 19910 8063 1 16 . 1 1 16 16 THR CB C 16 69.340 69.340 70.672 -1.332 19910 8064 1 16 . 1 1 16 16 THR H H 16 9.000 9.000 8.928 0.072 19910 8065 1 16 . 1 1 17 17 ILE N N 17 126.630 126.630 123.689 2.941 19910 8066 1 16 . 1 1 17 17 ILE HA H 17 4.439 4.439 4.355 0.084 19910 8067 1 16 . 1 1 17 17 ILE C C 17 172.580 172.580 173.701 -1.121 19910 8068 1 16 . 1 1 17 17 ILE CA C 17 60.030 60.030 59.169 0.861 19910 8069 1 16 . 1 1 17 17 ILE CB C 17 39.450 39.450 40.898 -1.448 19910 8070 1 16 . 1 1 17 17 ILE H H 17 8.680 8.680 8.382 0.298 19910 8071 1 16 . 1 1 18 18 ALA N N 18 130.190 130.190 126.837 3.353 19910 8072 1 16 . 1 1 18 18 ALA HA H 18 5.215 5.215 5.305 -0.090 19910 8073 1 16 . 1 1 18 18 ALA C C 18 176.660 176.660 175.888 0.772 19910 8074 1 16 . 1 1 18 18 ALA CA C 18 49.980 49.980 50.236 -0.256 19910 8075 1 16 . 1 1 18 18 ALA CB C 18 20.570 20.570 21.224 -0.654 19910 8076 1 16 . 1 1 18 18 ALA H H 18 8.490 8.490 8.674 -0.184 19910 8077 1 16 . 1 1 19 19 ILE N N 19 124.920 124.920 124.406 0.514 19910 8078 1 16 . 1 1 19 19 ILE HA H 19 4.307 4.307 4.408 -0.101 19910 8079 1 16 . 1 1 19 19 ILE C C 19 174.710 174.710 175.021 -0.311 19910 8080 1 16 . 1 1 19 19 ILE CA C 19 60.990 60.990 59.980 1.010 19910 8081 1 16 . 1 1 19 19 ILE CB C 19 40.900 40.900 39.794 1.106 19910 8082 1 16 . 1 1 19 19 ILE H H 19 9.590 9.590 8.638 0.952 19910 8083 1 16 . 1 1 20 20 ARG N N 20 128.960 128.960 128.292 0.668 19910 8084 1 16 . 1 1 20 20 ARG HA H 20 4.642 4.642 4.488 0.154 19910 8085 1 16 . 1 1 20 20 ARG C C 20 174.890 174.890 175.255 -0.365 19910 8086 1 16 . 1 1 20 20 ARG CA C 20 56.030 56.030 56.267 -0.236 19910 8087 1 16 . 1 1 20 20 ARG CB C 20 29.530 29.530 30.739 -1.209 19910 8088 1 16 . 1 1 20 20 ARG H H 20 8.600 8.600 8.748 -0.148 19910 8089 1 16 . 1 1 21 21 VAL N N 21 120.400 120.400 121.040 -0.640 19910 8090 1 16 . 1 1 21 21 VAL HA H 21 4.010 4.010 4.397 -0.387 19910 8091 1 16 . 1 1 21 21 VAL C C 21 174.950 174.950 174.470 0.480 19910 8092 1 16 . 1 1 21 21 VAL CA C 21 59.420 59.420 60.683 -1.263 19910 8093 1 16 . 1 1 21 21 VAL CB C 21 33.280 33.280 35.142 -1.862 19910 8094 1 16 . 1 1 21 21 VAL H H 21 8.020 8.020 8.077 -0.057 19910 8095 1 16 . 1 1 22 22 SER N N 22 118.050 118.050 121.681 -3.631 19910 8096 1 16 . 1 1 22 22 SER HA H 22 4.540 4.540 4.664 -0.124 19910 8097 1 16 . 1 1 22 22 SER C C 22 174.110 174.110 175.909 -1.799 19910 8098 1 16 . 1 1 22 22 SER CA C 22 59.540 59.540 58.399 1.141 19910 8099 1 16 . 1 1 22 22 SER CB C 22 63.600 63.600 63.762 -0.162 19910 8100 1 16 . 1 1 22 22 SER H H 22 7.770 7.770 8.451 -0.681 19910 8101 1 16 . 1 1 23 23 TYR N N 23 120.870 120.870 122.452 -1.582 19910 8102 1 16 . 1 1 23 23 TYR HA H 23 4.493 4.493 4.365 0.128 19910 8103 1 16 . 1 1 23 23 TYR C C 23 175.310 175.310 176.184 -0.874 19910 8104 1 16 . 1 1 23 23 TYR CA C 23 58.210 58.210 59.186 -0.976 19910 8105 1 16 . 1 1 23 23 TYR CB C 23 37.880 37.880 38.495 -0.615 19910 8106 1 16 . 1 1 23 23 TYR H H 23 8.300 8.300 8.594 -0.294 19910 8107 1 16 . 1 1 24 24 ALA N N 24 122.670 122.670 121.708 0.962 19910 8108 1 16 . 1 1 24 24 ALA HA H 24 4.303 4.303 4.131 0.172 19910 8109 1 16 . 1 1 24 24 ALA C C 24 177.160 177.160 177.505 -0.345 19910 8110 1 16 . 1 1 24 24 ALA CA C 24 52.520 52.520 52.326 0.194 19910 8111 1 16 . 1 1 24 24 ALA CB C 24 19.730 19.730 19.223 0.507 19910 8112 1 16 . 1 1 24 24 ALA H H 24 7.910 7.910 8.432 -0.522 19910 8113 1 16 . 1 1 25 25 ARG N N 25 119.060 119.060 123.391 -4.331 19910 8114 1 16 . 1 1 25 25 ARG HA H 25 4.346 4.346 4.121 0.225 19910 8115 1 16 . 1 1 25 25 ARG C C 25 175.830 175.830 176.277 -0.447 19910 8116 1 16 . 1 1 25 25 ARG CA C 25 55.550 55.550 58.103 -2.553 19910 8117 1 16 . 1 1 25 25 ARG CB C 25 30.500 30.500 30.603 -0.103 19910 8118 1 16 . 1 1 25 25 ARG H H 25 8.220 8.220 8.516 -0.296 19910 8119 1 16 . 1 1 26 26 VAL N N 26 118.660 118.660 116.530 2.130 19910 8120 1 16 . 1 1 26 26 VAL HA H 26 3.454 3.454 4.075 -0.621 19910 8121 1 16 . 1 1 26 26 VAL C C 26 175.700 175.700 175.979 -0.279 19910 8122 1 16 . 1 1 26 26 VAL CA C 26 61.960 61.960 63.548 -1.589 19910 8123 1 16 . 1 1 26 26 VAL CB C 26 32.800 32.800 32.358 0.442 19910 8124 1 16 . 1 1 26 26 VAL H H 26 7.650 7.650 7.736 -0.086 19910 8125 1 16 . 1 1 27 27 SER N N 27 116.090 116.090 118.261 -2.171 19910 8126 1 16 . 1 1 27 27 SER HA H 27 4.183 4.183 4.263 -0.080 19910 8127 1 16 . 1 1 27 27 SER C C 27 173.750 173.750 174.480 -0.730 19910 8128 1 16 . 1 1 27 27 SER CA C 27 58.570 58.570 60.316 -1.746 19910 8129 1 16 . 1 1 27 27 SER CB C 27 63.530 63.530 63.394 0.136 19910 8130 1 16 . 1 1 27 27 SER H H 27 8.180 8.180 8.492 -0.312 19910 8131 1 16 . 1 1 28 28 GLU N N 28 120.070 120.070 119.189 0.881 19910 8132 1 16 . 1 1 28 28 GLU HA H 28 4.203 4.203 4.115 0.088 19910 8133 1 16 . 1 1 28 28 GLU C C 28 174.790 174.790 175.369 -0.579 19910 8134 1 16 . 1 1 28 28 GLU CA C 28 55.550 55.550 55.214 0.336 19910 8135 1 16 . 1 1 28 28 GLU CB C 28 30.620 30.620 31.379 -0.759 19910 8136 1 16 . 1 1 28 28 GLU H H 28 7.400 7.400 7.918 -0.518 19910 8137 1 16 . 1 1 29 29 PHE N N 29 120.340 120.340 121.262 -0.922 19910 8138 1 16 . 1 1 29 29 PHE HA H 29 4.487 4.487 4.449 0.038 19910 8139 1 16 . 1 1 29 29 PHE C C 29 174.580 174.580 175.702 -1.122 19910 8140 1 16 . 1 1 29 29 PHE CA C 29 55.790 55.790 55.022 0.768 19910 8141 1 16 . 1 1 29 29 PHE CB C 29 39.690 39.690 39.625 0.065 19910 8142 1 16 . 1 1 29 29 PHE H H 29 7.820 7.820 7.945 -0.125 19910 8143 1 16 . 1 1 30 30 ASP N N 30 123.670 123.670 122.694 0.976 19910 8144 1 16 . 1 1 30 30 ASP HA H 30 4.817 4.817 4.723 0.094 19910 8145 1 16 . 1 1 30 30 ASP C C 30 174.040 174.040 174.197 -0.157 19910 8146 1 16 . 1 1 30 30 ASP CA C 30 53.850 53.850 53.608 0.242 19910 8147 1 16 . 1 1 30 30 ASP CB C 30 43.450 43.450 43.215 0.235 19910 8148 1 16 . 1 1 30 30 ASP H H 30 8.420 8.420 8.429 -0.009 19910 8149 1 16 . 1 1 31 31 VAL N N 31 123.010 123.010 124.226 -1.216 19910 8150 1 16 . 1 1 31 31 VAL HA H 31 4.768 4.768 4.861 -0.093 19910 8151 1 16 . 1 1 31 31 VAL C C 31 173.980 173.980 175.022 -1.042 19910 8152 1 16 . 1 1 31 31 VAL CA C 31 60.510 60.510 60.744 -0.234 19910 8153 1 16 . 1 1 31 31 VAL CB C 31 34.730 34.730 33.374 1.356 19910 8154 1 16 . 1 1 31 31 VAL H H 31 8.270 8.270 8.292 -0.022 19910 8155 1 16 . 1 1 32 32 TYR N N 32 127.340 127.340 127.651 -0.311 19910 8156 1 16 . 1 1 32 32 TYR HA H 32 4.624 4.624 4.814 -0.190 19910 8157 1 16 . 1 1 32 32 TYR C C 32 172.990 172.990 174.400 -1.410 19910 8158 1 16 . 1 1 32 32 TYR CA C 32 56.520 56.520 56.295 0.225 19910 8159 1 16 . 1 1 32 32 TYR CB C 32 41.870 41.870 40.110 1.760 19910 8160 1 16 . 1 1 32 32 TYR H H 32 8.920 8.920 8.895 0.025 19910 8161 1 16 . 1 1 33 33 PHE N N 33 121.160 121.160 121.775 -0.615 19910 8162 1 16 . 1 1 33 33 PHE HA H 33 5.106 5.106 5.858 -0.752 19910 8163 1 16 . 1 1 33 33 PHE C C 33 173.100 173.100 174.677 -1.577 19910 8164 1 16 . 1 1 33 33 PHE CA C 33 55.310 55.310 55.395 -0.084 19910 8165 1 16 . 1 1 33 33 PHE CB C 33 40.420 40.420 41.469 -1.049 19910 8166 1 16 . 1 1 33 33 PHE H H 33 7.510 7.510 8.777 -1.267 19910 8167 1 16 . 1 1 34 34 GLU N N 34 120.460 120.460 126.132 -5.672 19910 8168 1 16 . 1 1 34 34 GLU HA H 34 4.099 4.099 4.565 -0.466 19910 8169 1 16 . 1 1 34 34 GLU C C 34 175.700 175.700 176.430 -0.730 19910 8170 1 16 . 1 1 34 34 GLU CA C 34 56.640 56.640 55.751 0.889 19910 8171 1 16 . 1 1 34 34 GLU CB C 34 31.340 31.340 32.955 -1.615 19910 8172 1 16 . 1 1 34 34 GLU H H 34 8.190 8.190 8.481 -0.291 19910 8173 1 16 . 1 1 35 35 GLY N N 35 117.400 117.400 116.294 1.106 19910 8174 1 16 . 1 1 35 35 GLY C C 35 173.120 173.120 174.494 -1.374 19910 8175 1 16 . 1 1 35 35 GLY CA C 35 47.680 47.680 47.375 0.305 19910 8176 1 16 . 1 1 35 35 GLY H H 35 9.240 9.240 9.156 0.084 19910 8177 1 16 . 1 1 36 36 SER N N 36 122.510 122.510 117.263 5.247 19910 8178 1 16 . 1 1 36 36 SER HA H 36 4.795 4.795 4.729 0.066 19910 8179 1 16 . 1 1 36 36 SER C C 36 172.680 172.680 172.370 0.310 19910 8180 1 16 . 1 1 36 36 SER CA C 36 57.360 57.360 57.939 -0.579 19910 8181 1 16 . 1 1 36 36 SER CB C 36 64.500 64.500 64.954 -0.454 19910 8182 1 16 . 1 1 36 36 SER H H 36 8.930 8.930 8.658 0.272 19910 8183 1 16 . 1 1 37 37 ASP N N 37 123.120 123.120 124.024 -0.904 19910 8184 1 16 . 1 1 37 37 ASP HA H 37 5.192 5.192 5.146 0.046 19910 8185 1 16 . 1 1 37 37 ASP C C 37 174.170 174.170 173.959 0.211 19910 8186 1 16 . 1 1 37 37 ASP CA C 37 54.340 54.340 54.027 0.313 19910 8187 1 16 . 1 1 37 37 ASP CB C 37 43.810 43.810 43.199 0.611 19910 8188 1 16 . 1 1 37 37 ASP H H 37 8.600 8.600 8.311 0.289 19910 8189 1 16 . 1 1 38 38 PHE N N 38 122.850 122.850 127.886 -5.036 19910 8190 1 16 . 1 1 38 38 PHE HA H 38 5.053 5.053 5.378 -0.325 19910 8191 1 16 . 1 1 38 38 PHE C C 38 172.810 172.810 173.173 -0.363 19910 8192 1 16 . 1 1 38 38 PHE CA C 38 57.000 57.000 56.434 0.566 19910 8193 1 16 . 1 1 38 38 PHE CB C 38 43.080 43.080 41.296 1.784 19910 8194 1 16 . 1 1 38 38 PHE H H 38 8.340 8.340 8.943 -0.603 19910 8195 1 16 . 1 1 39 39 LYS N N 39 126.630 126.630 128.601 -1.971 19910 8196 1 16 . 1 1 39 39 LYS HA H 39 4.816 4.816 5.092 -0.276 19910 8197 1 16 . 1 1 39 39 LYS C C 39 172.540 172.540 174.389 -1.849 19910 8198 1 16 . 1 1 39 39 LYS CA C 39 54.890 54.890 54.156 0.734 19910 8199 1 16 . 1 1 39 39 LYS CB C 39 36.790 36.790 34.989 1.801 19910 8200 1 16 . 1 1 39 39 LYS H H 39 8.690 8.690 8.867 -0.177 19910 8201 1 16 . 1 1 40 40 PHE N N 40 123.910 123.910 126.083 -2.173 19910 8202 1 16 . 1 1 40 40 PHE HA H 40 4.923 4.923 5.276 -0.353 19910 8203 1 16 . 1 1 40 40 PHE C C 40 171.900 171.900 172.792 -0.892 19910 8204 1 16 . 1 1 40 40 PHE CA C 40 55.910 55.910 55.056 0.854 19910 8205 1 16 . 1 1 40 40 PHE CB C 40 43.450 43.450 42.224 1.226 19910 8206 1 16 . 1 1 40 40 PHE H H 40 8.750 8.750 8.856 -0.106 19910 8207 1 16 . 1 1 41 41 TYR N N 41 126.490 126.490 125.837 0.653 19910 8208 1 16 . 1 1 41 41 TYR HA H 41 4.958 4.958 4.867 0.091 19910 8209 1 16 . 1 1 41 41 TYR C C 41 173.070 173.070 174.190 -1.120 19910 8210 1 16 . 1 1 41 41 TYR CA C 41 55.670 55.670 55.303 0.367 19910 8211 1 16 . 1 1 41 41 TYR CB C 41 41.510 41.510 40.340 1.170 19910 8212 1 16 . 1 1 41 41 TYR H H 41 8.450 8.450 8.636 -0.186 19910 8213 1 16 . 1 1 42 42 ALA N N 42 129.720 129.720 128.009 1.711 19910 8214 1 16 . 1 1 42 42 ALA HA H 42 4.024 4.024 4.402 -0.378 19910 8215 1 16 . 1 1 42 42 ALA C C 42 174.350 174.350 176.589 -2.239 19910 8216 1 16 . 1 1 42 42 ALA CA C 42 51.190 51.190 52.209 -1.019 19910 8217 1 16 . 1 1 42 42 ALA CB C 42 20.330 20.330 20.412 -0.082 19910 8218 1 16 . 1 1 42 42 ALA H H 42 7.970 7.970 7.889 0.081 19910 8219 1 16 . 1 1 43 43 LYS N N 43 124.250 124.250 117.487 6.763 19910 8220 1 16 . 1 1 43 43 LYS HA H 43 3.634 3.634 4.506 -0.872 19910 8221 1 16 . 1 1 43 43 LYS CA C 43 56.260 56.260 57.055 -0.795 19910 8222 1 16 . 1 1 43 43 LYS CB C 43 32.860 32.860 31.991 0.869 19910 8223 1 16 . 1 1 43 43 LYS H H 43 7.850 7.850 7.773 0.077 19910 8224 1 16 . 1 1 44 44 PRO HA H 44 4.487 4.487 4.594 -0.107 19910 8225 1 16 . 1 1 44 44 PRO C C 44 173.980 173.980 176.005 -2.025 19910 8226 1 16 . 1 1 44 44 PRO CA C 44 64.380 64.380 63.651 0.729 19910 8227 1 16 . 1 1 44 44 PRO CB C 44 34.010 34.010 32.187 1.823 19910 8228 1 16 . 1 1 45 45 TYR N N 45 126.840 126.840 119.579 7.261 19910 8229 1 16 . 1 1 45 45 TYR HA H 45 5.274 5.274 4.710 0.564 19910 8230 1 16 . 1 1 45 45 TYR C C 45 175.290 175.290 174.299 0.991 19910 8231 1 16 . 1 1 45 45 TYR CA C 45 58.330 58.330 57.196 1.134 19910 8232 1 16 . 1 1 45 45 TYR CB C 45 40.300 40.300 38.481 1.819 19910 8233 1 16 . 1 1 45 45 TYR H H 45 9.360 9.360 7.695 1.665 19910 8234 1 16 . 1 1 46 46 PHE N N 46 121.470 121.470 123.417 -1.947 19910 8235 1 16 . 1 1 46 46 PHE HA H 46 5.422 5.422 5.308 0.114 19910 8236 1 16 . 1 1 46 46 PHE C C 46 173.180 173.180 175.035 -1.855 19910 8237 1 16 . 1 1 46 46 PHE CA C 46 56.520 56.520 57.352 -0.832 19910 8238 1 16 . 1 1 46 46 PHE CB C 46 43.930 43.930 41.430 2.500 19910 8239 1 16 . 1 1 46 46 PHE H H 46 8.870 8.870 9.129 -0.259 19910 8240 1 16 . 1 1 47 47 LEU N N 47 129.700 129.700 127.749 1.951 19910 8241 1 16 . 1 1 47 47 LEU HA H 47 4.565 4.565 4.819 -0.254 19910 8242 1 16 . 1 1 47 47 LEU C C 47 171.770 171.770 174.859 -3.089 19910 8243 1 16 . 1 1 47 47 LEU CA C 47 53.130 53.130 53.958 -0.828 19910 8244 1 16 . 1 1 47 47 LEU CB C 47 47.560 47.560 44.913 2.647 19910 8245 1 16 . 1 1 47 47 LEU H H 47 8.850 8.850 9.264 -0.414 19910 8246 1 16 . 1 1 48 48 ARG N N 48 127.760 127.760 127.534 0.226 19910 8247 1 16 . 1 1 48 48 ARG HA H 48 5.283 5.283 4.950 0.333 19910 8248 1 16 . 1 1 48 48 ARG C C 48 174.090 174.090 174.761 -0.671 19910 8249 1 16 . 1 1 48 48 ARG CA C 48 54.100 54.100 55.159 -1.059 19910 8250 1 16 . 1 1 48 48 ARG CB C 48 33.160 33.160 31.569 1.591 19910 8251 1 16 . 1 1 48 48 ARG H H 48 8.620 8.620 8.741 -0.121 19910 8252 1 16 . 1 1 49 49 LEU N N 49 122.890 122.890 128.648 -5.758 19910 8253 1 16 . 1 1 49 49 LEU HA H 49 4.855 4.855 4.889 -0.034 19910 8254 1 16 . 1 1 49 49 LEU C C 49 175.880 175.880 175.766 0.114 19910 8255 1 16 . 1 1 49 49 LEU CA C 49 52.880 52.880 53.886 -1.006 19910 8256 1 16 . 1 1 49 49 LEU CB C 49 47.800 47.800 44.932 2.868 19910 8257 1 16 . 1 1 49 49 LEU H H 49 8.970 8.970 9.098 -0.128 19910 8258 1 16 . 1 1 50 50 THR N N 50 118.610 118.610 119.315 -0.705 19910 8259 1 16 . 1 1 50 50 THR HA H 50 4.862 4.862 4.855 0.007 19910 8260 1 16 . 1 1 50 50 THR C C 50 174.610 174.610 174.612 -0.002 19910 8261 1 16 . 1 1 50 50 THR CA C 50 61.110 61.110 61.555 -0.445 19910 8262 1 16 . 1 1 50 50 THR CB C 50 69.220 69.220 69.281 -0.061 19910 8263 1 16 . 1 1 50 50 THR H H 50 8.670 8.670 8.424 0.246 19910 8264 1 16 . 1 1 51 51 LEU N N 51 126.300 126.300 128.804 -2.504 19910 8265 1 16 . 1 1 51 51 LEU HA H 51 4.302 4.302 4.495 -0.193 19910 8266 1 16 . 1 1 51 51 LEU CA C 51 52.650 52.650 53.172 -0.522 19910 8267 1 16 . 1 1 51 51 LEU CB C 51 41.950 41.950 41.835 0.115 19910 8268 1 16 . 1 1 51 51 LEU H H 51 9.540 9.540 7.927 1.613 19910 8269 1 16 . 1 1 52 52 PRO HA H 52 4.401 4.401 4.261 0.140 19910 8270 1 16 . 1 1 52 52 PRO C C 52 174.240 174.240 175.711 -1.471 19910 8271 1 16 . 1 1 52 52 PRO CA C 52 62.690 62.690 63.206 -0.517 19910 8272 1 16 . 1 1 52 52 PRO CB C 52 30.620 30.620 32.037 -1.417 19910 8273 1 16 . 1 1 53 53 GLY N N 53 105.990 105.990 106.343 -0.353 19910 8274 1 16 . 1 1 53 53 GLY C C 53 170.520 170.520 172.905 -2.385 19910 8275 1 16 . 1 1 53 53 GLY CA C 53 43.450 43.450 43.405 0.045 19910 8276 1 16 . 1 1 53 53 GLY H H 53 6.550 6.550 6.557 -0.007 19910 8277 1 16 . 1 1 54 54 ARG N N 54 115.660 115.660 121.523 -5.863 19910 8278 1 16 . 1 1 54 54 ARG HA H 54 4.347 4.347 4.483 -0.136 19910 8279 1 16 . 1 1 54 54 ARG C C 54 176.940 176.940 175.975 0.965 19910 8280 1 16 . 1 1 54 54 ARG CA C 54 55.890 55.890 56.743 -0.853 19910 8281 1 16 . 1 1 54 54 ARG CB C 54 32.310 32.310 31.017 1.293 19910 8282 1 16 . 1 1 54 54 ARG H H 54 8.210 8.210 8.454 -0.244 19910 8283 1 16 . 1 1 55 55 ILE N N 55 118.910 118.910 122.039 -3.129 19910 8284 1 16 . 1 1 55 55 ILE HA H 55 5.003 5.003 4.501 0.502 19910 8285 1 16 . 1 1 55 55 ILE C C 55 175.310 175.310 175.409 -0.099 19910 8286 1 16 . 1 1 55 55 ILE CA C 55 58.500 58.500 58.769 -0.269 19910 8287 1 16 . 1 1 55 55 ILE CB C 55 40.950 40.950 38.884 2.066 19910 8288 1 16 . 1 1 55 55 ILE H H 55 8.640 8.640 8.981 -0.341 19910 8289 1 16 . 1 1 56 56 VAL N N 56 118.140 118.140 125.819 -7.679 19910 8290 1 16 . 1 1 56 56 VAL HA H 56 4.438 4.438 4.076 0.362 19910 8291 1 16 . 1 1 56 56 VAL C C 56 172.920 172.920 175.333 -2.413 19910 8292 1 16 . 1 1 56 56 VAL CA C 56 60.510 60.510 61.898 -1.388 19910 8293 1 16 . 1 1 56 56 VAL CB C 56 34.850 34.850 33.553 1.297 19910 8294 1 16 . 1 1 56 56 VAL H H 56 8.330 8.330 8.001 0.329 19910 8295 1 16 . 1 1 57 57 GLU N N 57 123.300 123.300 126.086 -2.786 19910 8296 1 16 . 1 1 57 57 GLU HA H 57 4.358 4.358 4.697 -0.339 19910 8297 1 16 . 1 1 57 57 GLU C C 57 176.350 176.350 175.085 1.265 19910 8298 1 16 . 1 1 57 57 GLU CA C 57 55.890 55.890 55.436 0.454 19910 8299 1 16 . 1 1 57 57 GLU CB C 57 29.880 29.880 30.601 -0.721 19910 8300 1 16 . 1 1 57 57 GLU H H 57 8.380 8.380 8.552 -0.172 19910 8301 1 16 . 1 1 58 58 ASN N N 58 121.570 121.570 121.876 -0.306 19910 8302 1 16 . 1 1 58 58 ASN HA H 58 4.764 4.764 4.870 -0.106 19910 8303 1 16 . 1 1 58 58 ASN C C 58 176.120 176.120 176.056 0.064 19910 8304 1 16 . 1 1 58 58 ASN CA C 58 52.760 52.760 53.288 -0.528 19910 8305 1 16 . 1 1 58 58 ASN CB C 58 38.970 38.970 39.100 -0.130 19910 8306 1 16 . 1 1 58 58 ASN H H 58 8.360 8.360 8.743 -0.383 19910 8307 1 16 . 1 1 59 59 GLY N N 59 112.050 112.050 109.048 3.002 19910 8308 1 16 . 1 1 59 59 GLY C C 59 174.840 174.840 175.141 -0.301 19910 8309 1 16 . 1 1 59 59 GLY CA C 59 45.380 45.380 45.397 -0.017 19910 8310 1 16 . 1 1 59 59 GLY H H 59 9.350 9.350 8.337 1.013 19910 8311 1 16 . 1 1 60 60 SER N N 60 115.430 115.430 116.201 -0.771 19910 8312 1 16 . 1 1 60 60 SER HA H 60 4.536 4.536 4.692 -0.156 19910 8313 1 16 . 1 1 60 60 SER C C 60 174.140 174.140 173.820 0.320 19910 8314 1 16 . 1 1 60 60 SER CA C 60 58.810 58.810 57.733 1.077 19910 8315 1 16 . 1 1 60 60 SER CB C 60 64.140 64.140 62.574 1.566 19910 8316 1 16 . 1 1 60 60 SER H H 60 8.350 8.350 8.345 0.005 19910 8317 1 16 . 1 1 61 61 GLU N N 61 122.950 122.950 121.786 1.164 19910 8318 1 16 . 1 1 61 61 GLU HA H 61 4.525 4.525 4.292 0.233 19910 8319 1 16 . 1 1 61 61 GLU C C 61 175.550 175.550 175.680 -0.130 19910 8320 1 16 . 1 1 61 61 GLU CA C 61 56.520 56.520 56.409 0.111 19910 8321 1 16 . 1 1 61 61 GLU CB C 61 29.530 29.530 30.687 -1.157 19910 8322 1 16 . 1 1 61 61 GLU H H 61 8.910 8.910 7.691 1.219 19910 8323 1 16 . 1 1 62 62 GLN N N 62 120.280 120.280 121.486 -1.206 19910 8324 1 16 . 1 1 62 62 GLN HA H 62 4.601 4.601 4.659 -0.058 19910 8325 1 16 . 1 1 62 62 GLN C C 62 175.700 175.700 174.662 1.038 19910 8326 1 16 . 1 1 62 62 GLN CA C 62 55.430 55.430 54.743 0.687 19910 8327 1 16 . 1 1 62 62 GLN CB C 62 31.340 31.340 32.097 -0.757 19910 8328 1 16 . 1 1 62 62 GLN H H 62 8.310 8.310 8.235 0.075 19910 8329 1 16 . 1 1 63 63 GLY N N 63 111.400 111.400 110.373 1.027 19910 8330 1 16 . 1 1 63 63 GLY C C 63 172.550 172.550 173.025 -0.475 19910 8331 1 16 . 1 1 63 63 GLY CA C 63 44.690 44.690 44.771 -0.081 19910 8332 1 16 . 1 1 63 63 GLY H H 63 8.880 8.880 8.386 0.494 19910 8333 1 16 . 1 1 64 64 SER N N 64 115.080 115.080 119.750 -4.670 19910 8334 1 16 . 1 1 64 64 SER HA H 64 4.629 4.629 4.812 -0.183 19910 8335 1 16 . 1 1 64 64 SER C C 64 171.770 171.770 173.114 -1.344 19910 8336 1 16 . 1 1 64 64 SER CA C 64 57.120 57.120 57.764 -0.644 19910 8337 1 16 . 1 1 64 64 SER CB C 64 65.230 65.230 65.084 0.146 19910 8338 1 16 . 1 1 64 64 SER H H 64 8.280 8.280 9.291 -1.011 19910 8339 1 16 . 1 1 65 65 TYR N N 65 124.640 124.640 128.992 -4.352 19910 8340 1 16 . 1 1 65 65 TYR HA H 65 5.198 5.198 5.504 -0.306 19910 8341 1 16 . 1 1 65 65 TYR C C 65 173.640 173.640 174.708 -1.068 19910 8342 1 16 . 1 1 65 65 TYR CA C 65 55.670 55.670 57.155 -1.485 19910 8343 1 16 . 1 1 65 65 TYR CB C 65 40.900 40.900 40.060 0.840 19910 8344 1 16 . 1 1 65 65 TYR H H 65 8.980 8.980 8.767 0.213 19910 8345 1 16 . 1 1 66 66 ASP N N 66 128.570 128.570 128.042 0.528 19910 8346 1 16 . 1 1 66 66 ASP HA H 66 4.532 4.532 4.740 -0.208 19910 8347 1 16 . 1 1 66 66 ASP C C 66 175.340 175.340 175.035 0.305 19910 8348 1 16 . 1 1 66 66 ASP CA C 66 51.800 51.800 52.360 -0.560 19910 8349 1 16 . 1 1 66 66 ASP CB C 66 41.510 41.510 43.922 -2.413 19910 8350 1 16 . 1 1 66 66 ASP H H 66 8.000 8.000 8.129 -0.129 19910 8351 1 16 . 1 1 67 67 ALA N N 67 127.520 127.520 127.745 -0.225 19910 8352 1 16 . 1 1 67 67 ALA HA H 67 3.597 3.597 3.943 -0.346 19910 8353 1 16 . 1 1 67 67 ALA C C 67 178.770 178.770 178.050 0.720 19910 8354 1 16 . 1 1 67 67 ALA CA C 67 53.850 53.850 54.495 -0.645 19910 8355 1 16 . 1 1 67 67 ALA CB C 67 18.640 18.640 19.010 -0.370 19910 8356 1 16 . 1 1 67 67 ALA H H 67 8.460 8.460 8.381 0.079 19910 8357 1 16 . 1 1 68 68 ASP N N 68 117.850 117.850 117.973 -0.123 19910 8358 1 16 . 1 1 68 68 ASP HA H 68 4.340 4.340 4.368 -0.028 19910 8359 1 16 . 1 1 68 68 ASP C C 68 177.780 177.780 177.670 0.110 19910 8360 1 16 . 1 1 68 68 ASP CA C 68 56.760 56.760 56.352 0.408 19910 8361 1 16 . 1 1 68 68 ASP CB C 68 40.900 40.900 40.494 0.406 19910 8362 1 16 . 1 1 68 68 ASP H H 68 7.980 7.980 8.225 -0.245 19910 8363 1 16 . 1 1 69 69 LYS N N 69 115.790 115.790 118.569 -2.779 19910 8364 1 16 . 1 1 69 69 LYS HA H 69 4.119 4.119 4.364 -0.245 19910 8365 1 16 . 1 1 69 69 LYS C C 69 177.130 177.130 176.762 0.368 19910 8366 1 16 . 1 1 69 69 LYS CA C 69 56.150 56.150 56.400 -0.250 19910 8367 1 16 . 1 1 69 69 LYS CB C 69 34.010 34.010 33.273 0.737 19910 8368 1 16 . 1 1 69 69 LYS H H 69 7.390 7.390 7.838 -0.448 19910 8369 1 16 . 1 1 70 70 GLY N N 70 110.040 110.040 107.869 2.171 19910 8370 1 16 . 1 1 70 70 GLY C C 70 174.040 174.040 173.511 0.529 19910 8371 1 16 . 1 1 70 70 GLY CA C 70 46.830 46.830 45.677 1.153 19910 8372 1 16 . 1 1 70 70 GLY H H 70 8.030 8.030 7.385 0.645 19910 8373 1 16 . 1 1 71 71 ILE N N 71 115.810 115.810 117.457 -1.647 19910 8374 1 16 . 1 1 71 71 ILE HA H 71 4.861 4.861 4.542 0.319 19910 8375 1 16 . 1 1 71 71 ILE C C 71 175.520 175.520 173.656 1.864 19910 8376 1 16 . 1 1 71 71 ILE CA C 71 59.420 59.420 60.133 -0.713 19910 8377 1 16 . 1 1 71 71 ILE CB C 71 42.240 42.240 42.238 0.002 19910 8378 1 16 . 1 1 71 71 ILE H H 71 6.990 6.990 7.695 -0.705 19910 8379 1 16 . 1 1 72 72 PHE N N 72 132.630 132.630 126.346 6.284 19910 8380 1 16 . 1 1 72 72 PHE HA H 72 5.377 5.377 5.464 -0.087 19910 8381 1 16 . 1 1 72 72 PHE C C 72 173.310 173.310 173.683 -0.373 19910 8382 1 16 . 1 1 72 72 PHE CA C 72 56.150 56.150 54.912 1.238 19910 8383 1 16 . 1 1 72 72 PHE CB C 72 41.630 41.630 41.558 0.072 19910 8384 1 16 . 1 1 72 72 PHE H H 72 9.720 9.720 9.041 0.679 19910 8385 1 16 . 1 1 73 73 THR N N 73 124.190 124.190 125.402 -1.212 19910 8386 1 16 . 1 1 73 73 THR HA H 73 5.047 5.047 5.083 -0.036 19910 8387 1 16 . 1 1 73 73 THR C C 73 172.660 172.660 172.375 0.285 19910 8388 1 16 . 1 1 73 73 THR CA C 73 61.480 61.480 61.169 0.311 19910 8389 1 16 . 1 1 73 73 THR CB C 73 69.950 69.950 71.103 -1.153 19910 8390 1 16 . 1 1 73 73 THR H H 73 8.610 8.610 9.079 -0.469 19910 8391 1 16 . 1 1 74 74 ILE N N 74 125.780 125.780 126.736 -0.956 19910 8392 1 16 . 1 1 74 74 ILE HA H 74 4.557 4.557 5.062 -0.505 19910 8393 1 16 . 1 1 74 74 ILE C C 74 171.480 171.480 173.371 -1.891 19910 8394 1 16 . 1 1 74 74 ILE CA C 74 59.060 59.060 59.423 -0.363 19910 8395 1 16 . 1 1 74 74 ILE CB C 74 41.510 41.510 41.883 -0.373 19910 8396 1 16 . 1 1 74 74 ILE H H 74 8.850 8.850 8.365 0.485 19910 8397 1 16 . 1 1 75 75 ARG N N 75 127.330 127.330 127.829 -0.499 19910 8398 1 16 . 1 1 75 75 ARG HA H 75 4.859 4.859 4.644 0.215 19910 8399 1 16 . 1 1 75 75 ARG C C 75 174.790 174.790 174.855 -0.065 19910 8400 1 16 . 1 1 75 75 ARG CA C 75 54.460 54.460 54.965 -0.505 19910 8401 1 16 . 1 1 75 75 ARG CB C 75 31.460 31.460 31.548 -0.088 19910 8402 1 16 . 1 1 75 75 ARG H H 75 8.320 8.320 8.685 -0.365 19910 8403 1 16 . 1 1 76 76 LEU N N 76 125.120 125.120 122.220 2.900 19910 8404 1 16 . 1 1 76 76 LEU HA H 76 4.819 4.819 4.889 -0.070 19910 8405 1 16 . 1 1 76 76 LEU CA C 76 50.530 50.530 51.884 -1.354 19910 8406 1 16 . 1 1 76 76 LEU CB C 76 43.070 43.070 44.494 -1.424 19910 8407 1 16 . 1 1 76 76 LEU H H 76 9.300 9.300 8.322 0.978 19910 8408 1 16 . 1 1 77 77 PRO HA H 77 4.114 4.114 4.673 -0.559 19910 8409 1 16 . 1 1 77 77 PRO C C 77 176.430 176.430 176.499 -0.069 19910 8410 1 16 . 1 1 77 77 PRO CA C 77 62.080 62.080 61.563 0.517 19910 8411 1 16 . 1 1 77 77 PRO CB C 77 31.220 31.220 32.627 -1.407 19910 8412 1 16 . 1 1 78 78 LYS N N 78 122.800 122.800 120.430 2.370 19910 8413 1 16 . 1 1 78 78 LYS HA H 78 4.062 4.062 4.349 -0.287 19910 8414 1 16 . 1 1 78 78 LYS C C 78 176.590 176.590 176.690 -0.100 19910 8415 1 16 . 1 1 78 78 LYS CA C 78 57.730 57.730 54.164 3.566 19910 8416 1 16 . 1 1 78 78 LYS CB C 78 32.800 32.800 32.757 0.043 19910 8417 1 16 . 1 1 78 78 LYS H H 78 7.790 7.790 7.845 -0.055 19910 8418 1 16 . 1 1 79 79 GLU N N 79 124.540 124.540 122.071 2.469 19910 8419 1 16 . 1 1 79 79 GLU HA H 79 3.689 3.689 4.347 -0.658 19910 8420 1 16 . 1 1 79 79 GLU C C 79 176.300 176.300 176.378 -0.078 19910 8421 1 16 . 1 1 79 79 GLU CA C 79 59.420 59.420 57.393 2.027 19910 8422 1 16 . 1 1 79 79 GLU CB C 79 30.500 30.500 30.585 -0.085 19910 8423 1 16 . 1 1 79 79 GLU H H 79 8.520 8.520 8.682 -0.162 19910 8424 1 16 . 1 1 80 80 THR N N 80 115.960 115.960 116.424 -0.464 19910 8425 1 16 . 1 1 80 80 THR HA H 80 4.485 4.485 4.824 -0.339 19910 8426 1 16 . 1 1 80 80 THR CA C 80 59.120 59.120 59.452 -0.332 19910 8427 1 16 . 1 1 80 80 THR CB C 80 69.330 69.330 69.722 -0.392 19910 8428 1 16 . 1 1 80 80 THR H H 80 9.070 9.070 7.919 1.151 19910 8429 1 16 . 1 1 81 81 PRO HA H 81 4.070 4.070 4.302 -0.232 19910 8430 1 16 . 1 1 81 81 PRO C C 81 177.860 177.860 178.241 -0.381 19910 8431 1 16 . 1 1 81 81 PRO CA C 81 63.900 63.900 63.107 0.793 19910 8432 1 16 . 1 1 81 81 PRO CB C 81 31.460 31.460 31.765 -0.305 19910 8433 1 16 . 1 1 82 82 GLY N N 82 113.580 113.580 112.890 0.690 19910 8434 1 16 . 1 1 82 82 GLY C C 82 174.870 174.870 174.309 0.561 19910 8435 1 16 . 1 1 82 82 GLY CA C 82 45.140 45.140 44.982 0.158 19910 8436 1 16 . 1 1 82 82 GLY H H 82 9.150 9.150 8.555 0.595 19910 8437 1 16 . 1 1 83 83 GLN N N 83 122.820 122.820 120.204 2.616 19910 8438 1 16 . 1 1 83 83 GLN HA H 83 4.159 4.159 4.401 -0.242 19910 8439 1 16 . 1 1 83 83 GLN C C 83 175.180 175.180 175.026 0.154 19910 8440 1 16 . 1 1 83 83 GLN CA C 83 56.390 56.390 55.295 1.095 19910 8441 1 16 . 1 1 83 83 GLN CB C 83 29.410 29.410 29.773 -0.363 19910 8442 1 16 . 1 1 83 83 GLN H H 83 7.960 7.960 7.561 0.399 19910 8443 1 16 . 1 1 84 84 HIS N N 84 131.340 131.340 124.667 6.673 19910 8444 1 16 . 1 1 84 84 HIS HA H 84 4.299 4.299 4.674 -0.375 19910 8445 1 16 . 1 1 84 84 HIS C C 84 175.300 175.300 174.057 1.243 19910 8446 1 16 . 1 1 84 84 HIS CA C 84 56.640 56.640 54.528 2.112 19910 8447 1 16 . 1 1 84 84 HIS CB C 84 30.980 30.980 32.660 -1.680 19910 8448 1 16 . 1 1 84 84 HIS H H 84 9.220 9.220 8.647 0.573 19910 8449 1 16 . 1 1 85 85 PHE N N 85 130.320 130.320 125.807 4.513 19910 8450 1 16 . 1 1 85 85 PHE HA H 85 4.722 4.722 4.502 0.220 19910 8451 1 16 . 1 1 85 85 PHE C C 85 174.890 174.890 175.504 -0.614 19910 8452 1 16 . 1 1 85 85 PHE CA C 85 54.580 54.580 55.035 -0.454 19910 8453 1 16 . 1 1 85 85 PHE CB C 85 36.430 36.430 37.140 -0.710 19910 8454 1 16 . 1 1 85 85 PHE H H 85 9.130 9.130 8.558 0.572 19910 8455 1 16 . 1 1 86 86 GLU N N 86 126.010 126.010 124.279 1.731 19910 8456 1 16 . 1 1 86 86 GLU HA H 86 4.199 4.199 4.261 -0.062 19910 8457 1 16 . 1 1 86 86 GLU C C 86 177.000 177.000 177.341 -0.341 19910 8458 1 16 . 1 1 86 86 GLU CA C 86 55.910 55.910 56.968 -1.058 19910 8459 1 16 . 1 1 86 86 GLU CB C 86 30.620 30.620 30.365 0.255 19910 8460 1 16 . 1 1 86 86 GLU H H 86 8.900 8.900 7.911 0.989 19910 8461 1 16 . 1 1 87 87 GLY N N 87 108.540 108.540 108.212 0.328 19910 8462 1 16 . 1 1 87 87 GLY C C 87 177.370 177.370 175.377 1.993 19910 8463 1 16 . 1 1 87 87 GLY CA C 87 46.590 46.590 46.247 0.343 19910 8464 1 16 . 1 1 87 87 GLY H H 87 8.610 8.610 8.713 -0.103 19910 8465 1 16 . 1 1 88 88 LEU N N 88 119.830 119.830 120.588 -0.758 19910 8466 1 16 . 1 1 88 88 LEU HA H 88 3.775 3.775 4.071 -0.296 19910 8467 1 16 . 1 1 88 88 LEU C C 88 177.500 177.500 178.074 -0.574 19910 8468 1 16 . 1 1 88 88 LEU CA C 88 57.850 57.850 57.498 0.352 19910 8469 1 16 . 1 1 88 88 LEU CB C 88 40.780 40.780 42.002 -1.222 19910 8470 1 16 . 1 1 88 88 LEU H H 88 8.370 8.370 8.046 0.324 19910 8471 1 16 . 1 1 89 89 ASN N N 89 112.390 112.390 116.011 -3.621 19910 8472 1 16 . 1 1 89 89 ASN HA H 89 4.524 4.524 4.665 -0.141 19910 8473 1 16 . 1 1 89 89 ASN C C 89 175.440 175.440 175.490 -0.050 19910 8474 1 16 . 1 1 89 89 ASN CA C 89 54.340 54.340 54.176 0.164 19910 8475 1 16 . 1 1 89 89 ASN CB C 89 37.030 37.030 38.678 -1.649 19910 8476 1 16 . 1 1 89 89 ASN H H 89 8.470 8.470 8.321 0.149 19910 8477 1 16 . 1 1 90 90 MET N N 90 117.460 117.460 117.820 -0.360 19910 8478 1 16 . 1 1 90 90 MET HA H 90 4.626 4.626 4.631 -0.005 19910 8479 1 16 . 1 1 90 90 MET C C 90 176.040 176.040 175.738 0.302 19910 8480 1 16 . 1 1 90 90 MET CA C 90 54.340 54.340 55.285 -0.945 19910 8481 1 16 . 1 1 90 90 MET CB C 90 32.550 32.550 33.666 -1.115 19910 8482 1 16 . 1 1 90 90 MET H H 90 7.460 7.460 7.253 0.207 19910 8483 1 16 . 1 1 91 91 LEU N N 91 121.330 121.330 119.954 1.376 19910 8484 1 16 . 1 1 91 91 LEU HA H 91 4.277 4.277 4.294 -0.017 19910 8485 1 16 . 1 1 91 91 LEU C C 91 176.870 176.870 176.146 0.724 19910 8486 1 16 . 1 1 91 91 LEU CA C 91 56.390 56.390 56.471 -0.081 19910 8487 1 16 . 1 1 91 91 LEU CB C 91 42.480 42.480 41.935 0.545 19910 8488 1 16 . 1 1 91 91 LEU H H 91 7.280 7.280 8.036 -0.756 19910 8489 1 16 . 1 1 92 92 THR N N 92 113.970 113.970 114.539 -0.569 19910 8490 1 16 . 1 1 92 92 THR HA H 92 4.582 4.582 4.471 0.111 19910 8491 1 16 . 1 1 92 92 THR C C 92 173.180 173.180 173.297 -0.117 19910 8492 1 16 . 1 1 92 92 THR CA C 92 60.390 60.390 61.705 -1.315 19910 8493 1 16 . 1 1 92 92 THR CB C 92 71.160 71.160 70.712 0.448 19910 8494 1 16 . 1 1 92 92 THR H H 92 8.110 8.110 8.121 -0.011 19910 8495 1 16 . 1 1 93 93 ALA N N 93 124.650 124.650 126.473 -1.823 19910 8496 1 16 . 1 1 93 93 ALA HA H 93 4.245 4.245 4.740 -0.495 19910 8497 1 16 . 1 1 93 93 ALA C C 93 177.650 177.650 176.833 0.817 19910 8498 1 16 . 1 1 93 93 ALA CA C 93 52.640 52.640 51.313 1.327 19910 8499 1 16 . 1 1 93 93 ALA CB C 93 19.670 19.670 20.033 -0.363 19910 8500 1 16 . 1 1 93 93 ALA H H 93 8.430 8.430 8.413 0.017 19910 8501 1 16 . 1 1 94 94 LEU N N 94 123.150 123.150 123.268 -0.118 19910 8502 1 16 . 1 1 94 94 LEU HA H 94 4.450 4.450 4.404 0.046 19910 8503 1 16 . 1 1 94 94 LEU C C 94 177.420 177.420 176.899 0.521 19910 8504 1 16 . 1 1 94 94 LEU CA C 94 54.940 54.940 54.578 0.362 19910 8505 1 16 . 1 1 94 94 LEU CB C 94 42.480 42.480 42.968 -0.488 19910 8506 1 16 . 1 1 94 94 LEU H H 94 8.450 8.450 8.484 -0.034 19910 8507 1 16 . 1 1 95 95 LEU N N 95 124.390 124.390 125.376 -0.986 19910 8508 1 16 . 1 1 95 95 LEU HA H 95 4.409 4.409 4.576 -0.167 19910 8509 1 16 . 1 1 95 95 LEU C C 95 175.990 175.990 176.435 -0.445 19910 8510 1 16 . 1 1 95 95 LEU CA C 95 55.060 55.060 55.065 -0.005 19910 8511 1 16 . 1 1 95 95 LEU CB C 95 42.360 42.360 41.816 0.544 19910 8512 1 16 . 1 1 95 95 LEU H H 95 8.380 8.380 8.536 -0.156 19910 8513 1 17 . 1 1 2 2 LEU N N 2 123.170 123.170 123.081 0.089 19910 8514 1 17 . 1 1 2 2 LEU HA H 2 4.588 4.588 4.672 -0.084 19910 8515 1 17 . 1 1 2 2 LEU C C 2 176.260 176.260 176.981 -0.721 19910 8516 1 17 . 1 1 2 2 LEU CA C 2 53.730 53.730 54.353 -0.623 19910 8517 1 17 . 1 1 2 2 LEU CB C 2 44.290 44.290 42.356 1.934 19910 8518 1 17 . 1 1 2 2 LEU H H 2 8.690 8.690 8.277 0.413 19910 8519 1 17 . 1 1 3 3 THR N N 3 120.960 120.960 118.557 2.403 19910 8520 1 17 . 1 1 3 3 THR HA H 3 5.193 5.193 4.460 0.733 19910 8521 1 17 . 1 1 3 3 THR CA C 3 59.990 59.990 60.508 -0.518 19910 8522 1 17 . 1 1 3 3 THR CB C 3 69.950 69.950 68.717 1.233 19910 8523 1 17 . 1 1 3 3 THR H H 3 8.850 8.850 8.357 0.493 19910 8524 1 17 . 1 1 4 4 PRO HA H 4 4.718 4.718 4.399 0.319 19910 8525 1 17 . 1 1 4 4 PRO C C 4 175.870 175.870 176.714 -0.844 19910 8526 1 17 . 1 1 4 4 PRO CA C 4 62.080 62.080 62.667 -0.587 19910 8527 1 17 . 1 1 4 4 PRO CB C 4 31.950 31.950 32.265 -0.315 19910 8528 1 17 . 1 1 5 5 ALA N N 5 122.560 122.560 122.694 -0.134 19910 8529 1 17 . 1 1 5 5 ALA HA H 5 4.348 4.348 4.113 0.235 19910 8530 1 17 . 1 1 5 5 ALA C C 5 176.360 176.360 176.690 -0.330 19910 8531 1 17 . 1 1 5 5 ALA CA C 5 52.280 52.280 52.469 -0.189 19910 8532 1 17 . 1 1 5 5 ALA CB C 5 18.880 18.880 18.890 -0.010 19910 8533 1 17 . 1 1 5 5 ALA H H 5 8.400 8.400 8.200 0.200 19910 8534 1 17 . 1 1 6 6 PHE N N 6 115.160 115.160 115.539 -0.379 19910 8535 1 17 . 1 1 6 6 PHE HA H 6 5.537 5.537 4.017 1.520 19910 8536 1 17 . 1 1 6 6 PHE C C 6 172.590 172.590 173.230 -0.640 19910 8537 1 17 . 1 1 6 6 PHE CA C 6 55.430 55.430 57.692 -2.262 19910 8538 1 17 . 1 1 6 6 PHE CB C 6 42.240 42.240 38.499 3.740 19910 8539 1 17 . 1 1 6 6 PHE H H 6 7.740 7.740 7.810 -0.070 19910 8540 1 17 . 1 1 7 7 ASP N N 7 118.960 118.960 121.637 -2.677 19910 8541 1 17 . 1 1 7 7 ASP HA H 7 4.813 4.813 4.617 0.196 19910 8542 1 17 . 1 1 7 7 ASP C C 7 174.530 174.530 173.806 0.724 19910 8543 1 17 . 1 1 7 7 ASP CA C 7 53.370 53.370 53.066 0.304 19910 8544 1 17 . 1 1 7 7 ASP CB C 7 45.380 45.380 44.594 0.786 19910 8545 1 17 . 1 1 7 7 ASP H H 7 8.910 8.910 8.500 0.410 19910 8546 1 17 . 1 1 8 8 LEU N N 8 123.470 123.470 120.626 2.844 19910 8547 1 17 . 1 1 8 8 LEU HA H 8 5.284 5.284 4.699 0.585 19910 8548 1 17 . 1 1 8 8 LEU C C 8 175.420 175.420 175.979 -0.559 19910 8549 1 17 . 1 1 8 8 LEU CA C 8 53.850 53.850 53.694 0.156 19910 8550 1 17 . 1 1 8 8 LEU CB C 8 45.620 45.620 44.609 1.011 19910 8551 1 17 . 1 1 8 8 LEU H H 8 8.750 8.750 8.292 0.458 19910 8552 1 17 . 1 1 9 9 SER N N 9 115.920 115.920 117.952 -2.032 19910 8553 1 17 . 1 1 9 9 SER HA H 9 4.486 4.486 4.808 -0.322 19910 8554 1 17 . 1 1 9 9 SER C C 9 171.680 171.680 173.052 -1.372 19910 8555 1 17 . 1 1 9 9 SER CA C 9 57.000 57.000 57.006 -0.006 19910 8556 1 17 . 1 1 9 9 SER CB C 9 65.590 65.590 65.599 -0.009 19910 8557 1 17 . 1 1 9 9 SER H H 9 8.860 8.860 9.033 -0.173 19910 8558 1 17 . 1 1 10 10 GLN N N 10 115.230 115.230 123.611 -8.381 19910 8559 1 17 . 1 1 10 10 GLN HA H 10 5.375 5.375 4.537 0.838 19910 8560 1 17 . 1 1 10 10 GLN C C 10 172.130 172.130 173.466 -1.336 19910 8561 1 17 . 1 1 10 10 GLN CA C 10 54.270 54.270 54.809 -0.538 19910 8562 1 17 . 1 1 10 10 GLN CB C 10 32.990 32.990 31.450 1.540 19910 8563 1 17 . 1 1 10 10 GLN H H 10 8.800 8.800 8.485 0.315 19910 8564 1 17 . 1 1 11 11 ASP N N 11 124.270 124.270 123.322 0.948 19910 8565 1 17 . 1 1 11 11 ASP HA H 11 4.768 4.768 5.055 -0.287 19910 8566 1 17 . 1 1 11 11 ASP CA C 11 52.530 52.530 51.362 1.168 19910 8567 1 17 . 1 1 11 11 ASP CB C 11 42.200 42.200 42.629 -0.429 19910 8568 1 17 . 1 1 11 11 ASP H H 11 8.680 8.680 8.299 0.381 19910 8569 1 17 . 1 1 12 12 PRO HA H 12 4.050 4.050 4.427 -0.377 19910 8570 1 17 . 1 1 12 12 PRO C C 12 175.290 175.290 175.914 -0.624 19910 8571 1 17 . 1 1 12 12 PRO CA C 12 66.920 66.920 64.331 2.589 19910 8572 1 17 . 1 1 12 12 PRO CB C 12 31.950 31.950 32.147 -0.197 19910 8573 1 17 . 1 1 13 13 ASP N N 13 110.550 110.550 115.288 -4.738 19910 8574 1 17 . 1 1 13 13 ASP HA H 13 4.632 4.632 4.639 -0.007 19910 8575 1 17 . 1 1 13 13 ASP C C 13 176.480 176.480 174.248 2.232 19910 8576 1 17 . 1 1 13 13 ASP CA C 13 54.940 54.940 53.708 1.232 19910 8577 1 17 . 1 1 13 13 ASP CB C 13 44.410 44.410 41.989 2.421 19910 8578 1 17 . 1 1 13 13 ASP H H 13 7.990 7.990 8.501 -0.511 19910 8579 1 17 . 1 1 14 14 PHE N N 14 118.880 118.880 116.406 2.474 19910 8580 1 17 . 1 1 14 14 PHE HA H 14 5.049 5.049 4.883 0.166 19910 8581 1 17 . 1 1 14 14 PHE C C 14 174.690 174.690 173.251 1.439 19910 8582 1 17 . 1 1 14 14 PHE CA C 14 57.600 57.600 57.445 0.155 19910 8583 1 17 . 1 1 14 14 PHE CB C 14 42.960 42.960 43.204 -0.244 19910 8584 1 17 . 1 1 14 14 PHE H H 14 8.390 8.390 7.854 0.536 19910 8585 1 17 . 1 1 15 15 LEU N N 15 123.990 123.990 121.346 2.644 19910 8586 1 17 . 1 1 15 15 LEU HA H 15 4.613 4.613 4.676 -0.063 19910 8587 1 17 . 1 1 15 15 LEU C C 15 174.780 174.780 174.641 0.139 19910 8588 1 17 . 1 1 15 15 LEU CA C 15 53.250 53.250 54.203 -0.953 19910 8589 1 17 . 1 1 15 15 LEU CB C 15 45.020 45.020 44.568 0.452 19910 8590 1 17 . 1 1 15 15 LEU H H 15 9.200 9.200 8.993 0.207 19910 8591 1 17 . 1 1 16 16 THR N N 16 122.960 122.960 124.271 -1.311 19910 8592 1 17 . 1 1 16 16 THR HA H 16 4.849 4.849 5.016 -0.167 19910 8593 1 17 . 1 1 16 16 THR C C 16 172.810 172.810 173.825 -1.015 19910 8594 1 17 . 1 1 16 16 THR CA C 16 62.690 62.690 61.402 1.288 19910 8595 1 17 . 1 1 16 16 THR CB C 16 69.340 69.340 70.204 -0.864 19910 8596 1 17 . 1 1 16 16 THR H H 16 9.000 9.000 8.896 0.104 19910 8597 1 17 . 1 1 17 17 ILE N N 17 126.630 126.630 124.384 2.246 19910 8598 1 17 . 1 1 17 17 ILE HA H 17 4.439 4.439 4.231 0.208 19910 8599 1 17 . 1 1 17 17 ILE C C 17 172.580 172.580 173.879 -1.299 19910 8600 1 17 . 1 1 17 17 ILE CA C 17 60.030 60.030 59.514 0.516 19910 8601 1 17 . 1 1 17 17 ILE CB C 17 39.450 39.450 40.353 -0.903 19910 8602 1 17 . 1 1 17 17 ILE H H 17 8.680 8.680 8.480 0.200 19910 8603 1 17 . 1 1 18 18 ALA N N 18 130.190 130.190 125.622 4.568 19910 8604 1 17 . 1 1 18 18 ALA HA H 18 5.215 5.215 4.780 0.435 19910 8605 1 17 . 1 1 18 18 ALA C C 18 176.660 176.660 175.694 0.966 19910 8606 1 17 . 1 1 18 18 ALA CA C 18 49.980 49.980 50.766 -0.786 19910 8607 1 17 . 1 1 18 18 ALA CB C 18 20.570 20.570 21.568 -0.998 19910 8608 1 17 . 1 1 18 18 ALA H H 18 8.490 8.490 8.269 0.221 19910 8609 1 17 . 1 1 19 19 ILE N N 19 124.920 124.920 124.141 0.779 19910 8610 1 17 . 1 1 19 19 ILE HA H 19 4.307 4.307 4.384 -0.077 19910 8611 1 17 . 1 1 19 19 ILE C C 19 174.710 174.710 174.256 0.454 19910 8612 1 17 . 1 1 19 19 ILE CA C 19 60.990 60.990 60.212 0.778 19910 8613 1 17 . 1 1 19 19 ILE CB C 19 40.900 40.900 41.238 -0.338 19910 8614 1 17 . 1 1 19 19 ILE H H 19 9.590 9.590 8.257 1.333 19910 8615 1 17 . 1 1 20 20 ARG N N 20 128.960 128.960 129.259 -0.299 19910 8616 1 17 . 1 1 20 20 ARG HA H 20 4.642 4.642 4.643 -0.001 19910 8617 1 17 . 1 1 20 20 ARG C C 20 174.890 174.890 175.003 -0.113 19910 8618 1 17 . 1 1 20 20 ARG CA C 20 56.030 56.030 55.444 0.585 19910 8619 1 17 . 1 1 20 20 ARG CB C 20 29.530 29.530 31.320 -1.790 19910 8620 1 17 . 1 1 20 20 ARG H H 20 8.600 8.600 8.690 -0.090 19910 8621 1 17 . 1 1 21 21 VAL N N 21 120.400 120.400 121.121 -0.721 19910 8622 1 17 . 1 1 21 21 VAL HA H 21 4.010 4.010 4.581 -0.571 19910 8623 1 17 . 1 1 21 21 VAL C C 21 174.950 174.950 173.507 1.443 19910 8624 1 17 . 1 1 21 21 VAL CA C 21 59.420 59.420 61.584 -2.164 19910 8625 1 17 . 1 1 21 21 VAL CB C 21 33.280 33.280 35.192 -1.912 19910 8626 1 17 . 1 1 21 21 VAL H H 21 8.020 8.020 7.914 0.106 19910 8627 1 17 . 1 1 22 22 SER N N 22 118.050 118.050 119.397 -1.347 19910 8628 1 17 . 1 1 22 22 SER HA H 22 4.540 4.540 4.741 -0.201 19910 8629 1 17 . 1 1 22 22 SER C C 22 174.110 174.110 175.573 -1.463 19910 8630 1 17 . 1 1 22 22 SER CA C 22 59.540 59.540 59.114 0.426 19910 8631 1 17 . 1 1 22 22 SER CB C 22 63.600 63.600 64.260 -0.659 19910 8632 1 17 . 1 1 22 22 SER H H 22 7.770 7.770 8.677 -0.907 19910 8633 1 17 . 1 1 23 23 TYR N N 23 120.870 120.870 120.980 -0.110 19910 8634 1 17 . 1 1 23 23 TYR HA H 23 4.493 4.493 4.493 -0.000 19910 8635 1 17 . 1 1 23 23 TYR C C 23 175.310 175.310 174.945 0.365 19910 8636 1 17 . 1 1 23 23 TYR CA C 23 58.210 58.210 57.782 0.428 19910 8637 1 17 . 1 1 23 23 TYR CB C 23 37.880 37.880 37.853 0.027 19910 8638 1 17 . 1 1 23 23 TYR H H 23 8.300 8.300 8.218 0.082 19910 8639 1 17 . 1 1 24 24 ALA N N 24 122.670 122.670 122.421 0.249 19910 8640 1 17 . 1 1 24 24 ALA HA H 24 4.303 4.303 4.152 0.151 19910 8641 1 17 . 1 1 24 24 ALA C C 24 177.160 177.160 178.090 -0.930 19910 8642 1 17 . 1 1 24 24 ALA CA C 24 52.520 52.520 53.328 -0.807 19910 8643 1 17 . 1 1 24 24 ALA CB C 24 19.730 19.730 18.528 1.202 19910 8644 1 17 . 1 1 24 24 ALA H H 24 7.910 7.910 7.934 -0.024 19910 8645 1 17 . 1 1 25 25 ARG N N 25 119.060 119.060 122.983 -3.923 19910 8646 1 17 . 1 1 25 25 ARG HA H 25 4.346 4.346 4.203 0.143 19910 8647 1 17 . 1 1 25 25 ARG C C 25 175.830 175.830 176.657 -0.827 19910 8648 1 17 . 1 1 25 25 ARG CA C 25 55.550 55.550 57.708 -2.158 19910 8649 1 17 . 1 1 25 25 ARG CB C 25 30.500 30.500 30.541 -0.041 19910 8650 1 17 . 1 1 25 25 ARG H H 25 8.220 8.220 8.391 -0.171 19910 8651 1 17 . 1 1 26 26 VAL N N 26 118.660 118.660 118.297 0.363 19910 8652 1 17 . 1 1 26 26 VAL HA H 26 3.454 3.454 3.942 -0.488 19910 8653 1 17 . 1 1 26 26 VAL C C 26 175.700 175.700 175.645 0.055 19910 8654 1 17 . 1 1 26 26 VAL CA C 26 61.960 61.960 63.345 -1.385 19910 8655 1 17 . 1 1 26 26 VAL CB C 26 32.800 32.800 32.301 0.499 19910 8656 1 17 . 1 1 26 26 VAL H H 26 7.650 7.650 7.791 -0.141 19910 8657 1 17 . 1 1 27 27 SER N N 27 116.090 116.090 120.120 -4.030 19910 8658 1 17 . 1 1 27 27 SER HA H 27 4.183 4.183 4.191 -0.008 19910 8659 1 17 . 1 1 27 27 SER C C 27 173.750 173.750 174.881 -1.131 19910 8660 1 17 . 1 1 27 27 SER CA C 27 58.570 58.570 60.149 -1.579 19910 8661 1 17 . 1 1 27 27 SER CB C 27 63.530 63.530 63.756 -0.226 19910 8662 1 17 . 1 1 27 27 SER H H 27 8.180 8.180 8.370 -0.190 19910 8663 1 17 . 1 1 28 28 GLU N N 28 120.070 120.070 120.038 0.032 19910 8664 1 17 . 1 1 28 28 GLU HA H 28 4.203 4.203 3.898 0.305 19910 8665 1 17 . 1 1 28 28 GLU C C 28 174.790 174.790 175.180 -0.390 19910 8666 1 17 . 1 1 28 28 GLU CA C 28 55.550 55.550 55.365 0.185 19910 8667 1 17 . 1 1 28 28 GLU CB C 28 30.620 30.620 31.140 -0.520 19910 8668 1 17 . 1 1 28 28 GLU H H 28 7.400 7.400 7.737 -0.337 19910 8669 1 17 . 1 1 29 29 PHE N N 29 120.340 120.340 120.031 0.309 19910 8670 1 17 . 1 1 29 29 PHE HA H 29 4.487 4.487 4.753 -0.266 19910 8671 1 17 . 1 1 29 29 PHE C C 29 174.580 174.580 175.483 -0.903 19910 8672 1 17 . 1 1 29 29 PHE CA C 29 55.790 55.790 54.794 0.996 19910 8673 1 17 . 1 1 29 29 PHE CB C 29 39.690 39.690 40.431 -0.741 19910 8674 1 17 . 1 1 29 29 PHE H H 29 7.820 7.820 7.651 0.169 19910 8675 1 17 . 1 1 30 30 ASP N N 30 123.670 123.670 122.225 1.445 19910 8676 1 17 . 1 1 30 30 ASP HA H 30 4.817 4.817 4.808 0.009 19910 8677 1 17 . 1 1 30 30 ASP C C 30 174.040 174.040 174.206 -0.166 19910 8678 1 17 . 1 1 30 30 ASP CA C 30 53.850 53.850 53.767 0.083 19910 8679 1 17 . 1 1 30 30 ASP CB C 30 43.450 43.450 43.296 0.154 19910 8680 1 17 . 1 1 30 30 ASP H H 30 8.420 8.420 8.541 -0.121 19910 8681 1 17 . 1 1 31 31 VAL N N 31 123.010 123.010 122.762 0.248 19910 8682 1 17 . 1 1 31 31 VAL HA H 31 4.768 4.768 4.720 0.048 19910 8683 1 17 . 1 1 31 31 VAL C C 31 173.980 173.980 174.877 -0.897 19910 8684 1 17 . 1 1 31 31 VAL CA C 31 60.510 60.510 61.237 -0.727 19910 8685 1 17 . 1 1 31 31 VAL CB C 31 34.730 34.730 33.556 1.174 19910 8686 1 17 . 1 1 31 31 VAL H H 31 8.270 8.270 8.316 -0.046 19910 8687 1 17 . 1 1 32 32 TYR N N 32 127.340 127.340 126.869 0.471 19910 8688 1 17 . 1 1 32 32 TYR HA H 32 4.624 4.624 4.867 -0.243 19910 8689 1 17 . 1 1 32 32 TYR C C 32 172.990 172.990 174.492 -1.502 19910 8690 1 17 . 1 1 32 32 TYR CA C 32 56.520 56.520 56.551 -0.031 19910 8691 1 17 . 1 1 32 32 TYR CB C 32 41.870 41.870 40.788 1.082 19910 8692 1 17 . 1 1 32 32 TYR H H 32 8.920 8.920 8.759 0.161 19910 8693 1 17 . 1 1 33 33 PHE N N 33 121.160 121.160 121.700 -0.540 19910 8694 1 17 . 1 1 33 33 PHE HA H 33 5.106 5.106 5.885 -0.779 19910 8695 1 17 . 1 1 33 33 PHE C C 33 173.100 173.100 174.730 -1.630 19910 8696 1 17 . 1 1 33 33 PHE CA C 33 55.310 55.310 55.564 -0.254 19910 8697 1 17 . 1 1 33 33 PHE CB C 33 40.420 40.420 41.685 -1.265 19910 8698 1 17 . 1 1 33 33 PHE H H 33 7.510 7.510 8.713 -1.203 19910 8699 1 17 . 1 1 34 34 GLU N N 34 120.460 120.460 124.938 -4.478 19910 8700 1 17 . 1 1 34 34 GLU HA H 34 4.099 4.099 4.763 -0.664 19910 8701 1 17 . 1 1 34 34 GLU C C 34 175.700 175.700 177.064 -1.364 19910 8702 1 17 . 1 1 34 34 GLU CA C 34 56.640 56.640 55.613 1.027 19910 8703 1 17 . 1 1 34 34 GLU CB C 34 31.340 31.340 33.011 -1.671 19910 8704 1 17 . 1 1 34 34 GLU H H 34 8.190 8.190 9.077 -0.887 19910 8705 1 17 . 1 1 35 35 GLY N N 35 117.400 117.400 116.974 0.426 19910 8706 1 17 . 1 1 35 35 GLY C C 35 173.120 173.120 174.664 -1.544 19910 8707 1 17 . 1 1 35 35 GLY CA C 35 47.680 47.680 46.563 1.117 19910 8708 1 17 . 1 1 35 35 GLY H H 35 9.240 9.240 8.855 0.385 19910 8709 1 17 . 1 1 36 36 SER N N 36 122.510 122.510 109.655 12.855 19910 8710 1 17 . 1 1 36 36 SER HA H 36 4.795 4.795 3.946 0.849 19910 8711 1 17 . 1 1 36 36 SER C C 36 172.680 172.680 173.388 -0.708 19910 8712 1 17 . 1 1 36 36 SER CA C 36 57.360 57.360 59.674 -2.314 19910 8713 1 17 . 1 1 36 36 SER CB C 36 64.500 64.500 62.566 1.934 19910 8714 1 17 . 1 1 36 36 SER H H 36 8.930 8.930 8.859 0.071 19910 8715 1 17 . 1 1 37 37 ASP N N 37 123.120 123.120 121.620 1.500 19910 8716 1 17 . 1 1 37 37 ASP HA H 37 5.192 5.192 4.951 0.241 19910 8717 1 17 . 1 1 37 37 ASP C C 37 174.170 174.170 174.217 -0.047 19910 8718 1 17 . 1 1 37 37 ASP CA C 37 54.340 54.340 53.603 0.737 19910 8719 1 17 . 1 1 37 37 ASP CB C 37 43.810 43.810 42.163 1.647 19910 8720 1 17 . 1 1 37 37 ASP H H 37 8.600 8.600 7.784 0.816 19910 8721 1 17 . 1 1 38 38 PHE N N 38 122.850 122.850 128.584 -5.734 19910 8722 1 17 . 1 1 38 38 PHE HA H 38 5.053 5.053 5.629 -0.576 19910 8723 1 17 . 1 1 38 38 PHE C C 38 172.810 172.810 173.155 -0.345 19910 8724 1 17 . 1 1 38 38 PHE CA C 38 57.000 57.000 56.242 0.758 19910 8725 1 17 . 1 1 38 38 PHE CB C 38 43.080 43.080 42.194 0.886 19910 8726 1 17 . 1 1 38 38 PHE H H 38 8.340 8.340 8.853 -0.513 19910 8727 1 17 . 1 1 39 39 LYS N N 39 126.630 126.630 128.417 -1.787 19910 8728 1 17 . 1 1 39 39 LYS HA H 39 4.816 4.816 4.855 -0.039 19910 8729 1 17 . 1 1 39 39 LYS C C 39 172.540 172.540 174.182 -1.642 19910 8730 1 17 . 1 1 39 39 LYS CA C 39 54.890 54.890 54.540 0.350 19910 8731 1 17 . 1 1 39 39 LYS CB C 39 36.790 36.790 35.145 1.645 19910 8732 1 17 . 1 1 39 39 LYS H H 39 8.690 8.690 8.767 -0.077 19910 8733 1 17 . 1 1 40 40 PHE N N 40 123.910 123.910 126.043 -2.133 19910 8734 1 17 . 1 1 40 40 PHE HA H 40 4.923 4.923 5.312 -0.389 19910 8735 1 17 . 1 1 40 40 PHE C C 40 171.900 171.900 173.144 -1.244 19910 8736 1 17 . 1 1 40 40 PHE CA C 40 55.910 55.910 54.826 1.084 19910 8737 1 17 . 1 1 40 40 PHE CB C 40 43.450 43.450 42.528 0.922 19910 8738 1 17 . 1 1 40 40 PHE H H 40 8.750 8.750 9.042 -0.292 19910 8739 1 17 . 1 1 41 41 TYR N N 41 126.490 126.490 128.086 -1.596 19910 8740 1 17 . 1 1 41 41 TYR HA H 41 4.958 4.958 4.792 0.166 19910 8741 1 17 . 1 1 41 41 TYR C C 41 173.070 173.070 174.051 -0.981 19910 8742 1 17 . 1 1 41 41 TYR CA C 41 55.670 55.670 55.691 -0.021 19910 8743 1 17 . 1 1 41 41 TYR CB C 41 41.510 41.510 38.666 2.844 19910 8744 1 17 . 1 1 41 41 TYR H H 41 8.450 8.450 8.628 -0.178 19910 8745 1 17 . 1 1 42 42 ALA N N 42 129.720 129.720 126.216 3.504 19910 8746 1 17 . 1 1 42 42 ALA HA H 42 4.024 4.024 4.770 -0.746 19910 8747 1 17 . 1 1 42 42 ALA C C 42 174.350 174.350 175.730 -1.380 19910 8748 1 17 . 1 1 42 42 ALA CA C 42 51.190 51.190 50.408 0.782 19910 8749 1 17 . 1 1 42 42 ALA CB C 42 20.330 20.330 20.954 -0.624 19910 8750 1 17 . 1 1 42 42 ALA H H 42 7.970 7.970 8.364 -0.394 19910 8751 1 17 . 1 1 43 43 LYS N N 43 124.250 124.250 121.844 2.406 19910 8752 1 17 . 1 1 43 43 LYS HA H 43 3.634 3.634 3.909 -0.275 19910 8753 1 17 . 1 1 43 43 LYS CA C 43 56.260 56.260 57.482 -1.222 19910 8754 1 17 . 1 1 43 43 LYS CB C 43 32.860 32.860 29.135 3.725 19910 8755 1 17 . 1 1 43 43 LYS H H 43 7.850 7.850 8.464 -0.614 19910 8756 1 17 . 1 1 44 44 PRO HA H 44 4.487 4.487 3.974 0.513 19910 8757 1 17 . 1 1 44 44 PRO C C 44 173.980 173.980 175.956 -1.976 19910 8758 1 17 . 1 1 44 44 PRO CA C 44 64.380 64.380 64.329 0.051 19910 8759 1 17 . 1 1 44 44 PRO CB C 44 34.010 34.010 31.468 2.542 19910 8760 1 17 . 1 1 45 45 TYR N N 45 126.840 126.840 117.051 9.789 19910 8761 1 17 . 1 1 45 45 TYR HA H 45 5.274 5.274 3.934 1.340 19910 8762 1 17 . 1 1 45 45 TYR C C 45 175.290 175.290 174.189 1.101 19910 8763 1 17 . 1 1 45 45 TYR CA C 45 58.330 58.330 57.378 0.952 19910 8764 1 17 . 1 1 45 45 TYR CB C 45 40.300 40.300 37.636 2.664 19910 8765 1 17 . 1 1 45 45 TYR H H 45 9.360 9.360 7.147 2.213 19910 8766 1 17 . 1 1 46 46 PHE N N 46 121.470 121.470 120.821 0.649 19910 8767 1 17 . 1 1 46 46 PHE HA H 46 5.422 5.422 5.465 -0.043 19910 8768 1 17 . 1 1 46 46 PHE C C 46 173.180 173.180 175.036 -1.856 19910 8769 1 17 . 1 1 46 46 PHE CA C 46 56.520 56.520 55.676 0.844 19910 8770 1 17 . 1 1 46 46 PHE CB C 46 43.930 43.930 41.391 2.539 19910 8771 1 17 . 1 1 46 46 PHE H H 46 8.870 8.870 8.171 0.699 19910 8772 1 17 . 1 1 47 47 LEU N N 47 129.700 129.700 126.060 3.640 19910 8773 1 17 . 1 1 47 47 LEU HA H 47 4.565 4.565 4.792 -0.227 19910 8774 1 17 . 1 1 47 47 LEU C C 47 171.770 171.770 175.109 -3.339 19910 8775 1 17 . 1 1 47 47 LEU CA C 47 53.130 53.130 54.041 -0.911 19910 8776 1 17 . 1 1 47 47 LEU CB C 47 47.560 47.560 45.370 2.190 19910 8777 1 17 . 1 1 47 47 LEU H H 47 8.850 8.850 9.345 -0.495 19910 8778 1 17 . 1 1 48 48 ARG N N 48 127.760 127.760 127.696 0.064 19910 8779 1 17 . 1 1 48 48 ARG HA H 48 5.283 5.283 5.007 0.276 19910 8780 1 17 . 1 1 48 48 ARG C C 48 174.090 174.090 174.734 -0.644 19910 8781 1 17 . 1 1 48 48 ARG CA C 48 54.100 54.100 55.211 -1.111 19910 8782 1 17 . 1 1 48 48 ARG CB C 48 33.160 33.160 31.165 1.995 19910 8783 1 17 . 1 1 48 48 ARG H H 48 8.620 8.620 8.730 -0.110 19910 8784 1 17 . 1 1 49 49 LEU N N 49 122.890 122.890 129.345 -6.455 19910 8785 1 17 . 1 1 49 49 LEU HA H 49 4.855 4.855 4.800 0.055 19910 8786 1 17 . 1 1 49 49 LEU C C 49 175.880 175.880 175.657 0.223 19910 8787 1 17 . 1 1 49 49 LEU CA C 49 52.880 52.880 54.022 -1.142 19910 8788 1 17 . 1 1 49 49 LEU CB C 49 47.800 47.800 45.573 2.227 19910 8789 1 17 . 1 1 49 49 LEU H H 49 8.970 8.970 9.235 -0.265 19910 8790 1 17 . 1 1 50 50 THR N N 50 118.610 118.610 119.379 -0.769 19910 8791 1 17 . 1 1 50 50 THR HA H 50 4.862 4.862 4.850 0.012 19910 8792 1 17 . 1 1 50 50 THR C C 50 174.610 174.610 174.410 0.200 19910 8793 1 17 . 1 1 50 50 THR CA C 50 61.110 61.110 61.434 -0.324 19910 8794 1 17 . 1 1 50 50 THR CB C 50 69.220 69.220 68.930 0.290 19910 8795 1 17 . 1 1 50 50 THR H H 50 8.670 8.670 8.427 0.243 19910 8796 1 17 . 1 1 51 51 LEU N N 51 126.300 126.300 128.227 -1.927 19910 8797 1 17 . 1 1 51 51 LEU HA H 51 4.302 4.302 4.266 0.036 19910 8798 1 17 . 1 1 51 51 LEU CA C 51 52.650 52.650 53.837 -1.187 19910 8799 1 17 . 1 1 51 51 LEU CB C 51 41.950 41.950 40.977 0.973 19910 8800 1 17 . 1 1 51 51 LEU H H 51 9.540 9.540 8.231 1.309 19910 8801 1 17 . 1 1 52 52 PRO HA H 52 4.401 4.401 4.134 0.267 19910 8802 1 17 . 1 1 52 52 PRO C C 52 174.240 174.240 176.527 -2.287 19910 8803 1 17 . 1 1 52 52 PRO CA C 52 62.690 62.690 64.078 -1.388 19910 8804 1 17 . 1 1 52 52 PRO CB C 52 30.620 30.620 31.969 -1.349 19910 8805 1 17 . 1 1 53 53 GLY N N 53 105.990 105.990 105.002 0.988 19910 8806 1 17 . 1 1 53 53 GLY C C 53 170.520 170.520 172.895 -2.375 19910 8807 1 17 . 1 1 53 53 GLY CA C 53 43.450 43.450 43.288 0.162 19910 8808 1 17 . 1 1 53 53 GLY H H 53 6.550 6.550 6.311 0.239 19910 8809 1 17 . 1 1 54 54 ARG N N 54 115.660 115.660 119.543 -3.883 19910 8810 1 17 . 1 1 54 54 ARG HA H 54 4.347 4.347 4.694 -0.347 19910 8811 1 17 . 1 1 54 54 ARG C C 54 176.940 176.940 175.014 1.926 19910 8812 1 17 . 1 1 54 54 ARG CA C 54 55.890 55.890 55.157 0.733 19910 8813 1 17 . 1 1 54 54 ARG CB C 54 32.310 32.310 33.781 -1.471 19910 8814 1 17 . 1 1 54 54 ARG H H 54 8.210 8.210 8.402 -0.192 19910 8815 1 17 . 1 1 55 55 ILE N N 55 118.910 118.910 124.474 -5.564 19910 8816 1 17 . 1 1 55 55 ILE HA H 55 5.003 5.003 4.624 0.379 19910 8817 1 17 . 1 1 55 55 ILE C C 55 175.310 175.310 175.386 -0.076 19910 8818 1 17 . 1 1 55 55 ILE CA C 55 58.500 58.500 58.970 -0.470 19910 8819 1 17 . 1 1 55 55 ILE CB C 55 40.950 40.950 38.954 1.996 19910 8820 1 17 . 1 1 55 55 ILE H H 55 8.640 8.640 8.697 -0.057 19910 8821 1 17 . 1 1 56 56 VAL N N 56 118.140 118.140 126.342 -8.202 19910 8822 1 17 . 1 1 56 56 VAL HA H 56 4.438 4.438 4.075 0.363 19910 8823 1 17 . 1 1 56 56 VAL C C 56 172.920 172.920 175.232 -2.312 19910 8824 1 17 . 1 1 56 56 VAL CA C 56 60.510 60.510 62.001 -1.491 19910 8825 1 17 . 1 1 56 56 VAL CB C 56 34.850 34.850 33.251 1.599 19910 8826 1 17 . 1 1 56 56 VAL H H 56 8.330 8.330 7.947 0.383 19910 8827 1 17 . 1 1 57 57 GLU N N 57 123.300 123.300 126.504 -3.204 19910 8828 1 17 . 1 1 57 57 GLU HA H 57 4.358 4.358 4.961 -0.603 19910 8829 1 17 . 1 1 57 57 GLU C C 57 176.350 176.350 175.162 1.188 19910 8830 1 17 . 1 1 57 57 GLU CA C 57 55.890 55.890 55.505 0.384 19910 8831 1 17 . 1 1 57 57 GLU CB C 57 29.880 29.880 31.017 -1.137 19910 8832 1 17 . 1 1 57 57 GLU H H 57 8.380 8.380 8.630 -0.249 19910 8833 1 17 . 1 1 58 58 ASN N N 58 121.570 121.570 122.686 -1.116 19910 8834 1 17 . 1 1 58 58 ASN HA H 58 4.764 4.764 4.825 -0.061 19910 8835 1 17 . 1 1 58 58 ASN C C 58 176.120 176.120 175.284 0.836 19910 8836 1 17 . 1 1 58 58 ASN CA C 58 52.760 52.760 54.068 -1.308 19910 8837 1 17 . 1 1 58 58 ASN CB C 58 38.970 38.970 38.773 0.197 19910 8838 1 17 . 1 1 58 58 ASN H H 58 8.360 8.360 9.023 -0.663 19910 8839 1 17 . 1 1 59 59 GLY N N 59 112.050 112.050 108.789 3.261 19910 8840 1 17 . 1 1 59 59 GLY C C 59 174.840 174.840 175.152 -0.312 19910 8841 1 17 . 1 1 59 59 GLY CA C 59 45.380 45.380 45.693 -0.313 19910 8842 1 17 . 1 1 59 59 GLY H H 59 9.350 9.350 8.592 0.758 19910 8843 1 17 . 1 1 60 60 SER N N 60 115.430 115.430 116.756 -1.326 19910 8844 1 17 . 1 1 60 60 SER HA H 60 4.536 4.536 4.696 -0.160 19910 8845 1 17 . 1 1 60 60 SER C C 60 174.140 174.140 174.316 -0.176 19910 8846 1 17 . 1 1 60 60 SER CA C 60 58.810 58.810 57.875 0.935 19910 8847 1 17 . 1 1 60 60 SER CB C 60 64.140 64.140 63.320 0.820 19910 8848 1 17 . 1 1 60 60 SER H H 60 8.350 8.350 8.464 -0.114 19910 8849 1 17 . 1 1 61 61 GLU N N 61 122.950 122.950 121.069 1.881 19910 8850 1 17 . 1 1 61 61 GLU HA H 61 4.525 4.525 4.504 0.021 19910 8851 1 17 . 1 1 61 61 GLU C C 61 175.550 175.550 176.016 -0.466 19910 8852 1 17 . 1 1 61 61 GLU CA C 61 56.520 56.520 55.252 1.268 19910 8853 1 17 . 1 1 61 61 GLU CB C 61 29.530 29.530 30.905 -1.375 19910 8854 1 17 . 1 1 61 61 GLU H H 61 8.910 8.910 7.451 1.459 19910 8855 1 17 . 1 1 62 62 GLN N N 62 120.280 120.280 118.545 1.735 19910 8856 1 17 . 1 1 62 62 GLN HA H 62 4.601 4.601 4.634 -0.033 19910 8857 1 17 . 1 1 62 62 GLN C C 62 175.700 175.700 174.369 1.331 19910 8858 1 17 . 1 1 62 62 GLN CA C 62 55.430 55.430 55.503 -0.073 19910 8859 1 17 . 1 1 62 62 GLN CB C 62 31.340 31.340 33.126 -1.786 19910 8860 1 17 . 1 1 62 62 GLN H H 62 8.310 8.310 8.283 0.027 19910 8861 1 17 . 1 1 63 63 GLY N N 63 111.400 111.400 108.883 2.517 19910 8862 1 17 . 1 1 63 63 GLY C C 63 172.550 172.550 172.822 -0.272 19910 8863 1 17 . 1 1 63 63 GLY CA C 63 44.690 44.690 44.950 -0.260 19910 8864 1 17 . 1 1 63 63 GLY H H 63 8.880 8.880 8.158 0.722 19910 8865 1 17 . 1 1 64 64 SER N N 64 115.080 115.080 114.647 0.433 19910 8866 1 17 . 1 1 64 64 SER HA H 64 4.629 4.629 4.732 -0.103 19910 8867 1 17 . 1 1 64 64 SER C C 64 171.770 171.770 172.445 -0.675 19910 8868 1 17 . 1 1 64 64 SER CA C 64 57.120 57.120 58.024 -0.904 19910 8869 1 17 . 1 1 64 64 SER CB C 64 65.230 65.230 65.459 -0.229 19910 8870 1 17 . 1 1 64 64 SER H H 64 8.280 8.280 9.044 -0.764 19910 8871 1 17 . 1 1 65 65 TYR N N 65 124.640 124.640 126.699 -2.059 19910 8872 1 17 . 1 1 65 65 TYR HA H 65 5.198 5.198 5.738 -0.540 19910 8873 1 17 . 1 1 65 65 TYR C C 65 173.640 173.640 174.671 -1.031 19910 8874 1 17 . 1 1 65 65 TYR CA C 65 55.670 55.670 56.869 -1.199 19910 8875 1 17 . 1 1 65 65 TYR CB C 65 40.900 40.900 41.786 -0.886 19910 8876 1 17 . 1 1 65 65 TYR H H 65 8.980 8.980 8.632 0.348 19910 8877 1 17 . 1 1 66 66 ASP N N 66 128.570 128.570 126.439 2.131 19910 8878 1 17 . 1 1 66 66 ASP HA H 66 4.532 4.532 4.669 -0.137 19910 8879 1 17 . 1 1 66 66 ASP C C 66 175.340 175.340 174.847 0.493 19910 8880 1 17 . 1 1 66 66 ASP CA C 66 51.800 51.800 52.900 -1.100 19910 8881 1 17 . 1 1 66 66 ASP CB C 66 41.510 41.510 43.798 -2.288 19910 8882 1 17 . 1 1 66 66 ASP H H 66 8.000 8.000 8.083 -0.083 19910 8883 1 17 . 1 1 67 67 ALA N N 67 127.520 127.520 129.172 -1.652 19910 8884 1 17 . 1 1 67 67 ALA HA H 67 3.597 3.597 3.991 -0.394 19910 8885 1 17 . 1 1 67 67 ALA C C 67 178.770 178.770 177.801 0.969 19910 8886 1 17 . 1 1 67 67 ALA CA C 67 53.850 53.850 54.269 -0.419 19910 8887 1 17 . 1 1 67 67 ALA CB C 67 18.640 18.640 18.978 -0.338 19910 8888 1 17 . 1 1 67 67 ALA H H 67 8.460 8.460 8.473 -0.013 19910 8889 1 17 . 1 1 68 68 ASP N N 68 117.850 117.850 118.194 -0.344 19910 8890 1 17 . 1 1 68 68 ASP HA H 68 4.340 4.340 4.420 -0.080 19910 8891 1 17 . 1 1 68 68 ASP C C 68 177.780 177.780 177.605 0.175 19910 8892 1 17 . 1 1 68 68 ASP CA C 68 56.760 56.760 56.412 0.348 19910 8893 1 17 . 1 1 68 68 ASP CB C 68 40.900 40.900 40.314 0.586 19910 8894 1 17 . 1 1 68 68 ASP H H 68 7.980 7.980 8.603 -0.623 19910 8895 1 17 . 1 1 69 69 LYS N N 69 115.790 115.790 118.112 -2.322 19910 8896 1 17 . 1 1 69 69 LYS HA H 69 4.119 4.119 4.294 -0.175 19910 8897 1 17 . 1 1 69 69 LYS C C 69 177.130 177.130 176.361 0.769 19910 8898 1 17 . 1 1 69 69 LYS CA C 69 56.150 56.150 56.210 -0.060 19910 8899 1 17 . 1 1 69 69 LYS CB C 69 34.010 34.010 33.816 0.194 19910 8900 1 17 . 1 1 69 69 LYS H H 69 7.390 7.390 7.762 -0.372 19910 8901 1 17 . 1 1 70 70 GLY N N 70 110.040 110.040 107.508 2.532 19910 8902 1 17 . 1 1 70 70 GLY C C 70 174.040 174.040 173.699 0.341 19910 8903 1 17 . 1 1 70 70 GLY CA C 70 46.830 46.830 45.533 1.297 19910 8904 1 17 . 1 1 70 70 GLY H H 70 8.030 8.030 7.914 0.116 19910 8905 1 17 . 1 1 71 71 ILE N N 71 115.810 115.810 119.328 -3.518 19910 8906 1 17 . 1 1 71 71 ILE HA H 71 4.861 4.861 4.647 0.214 19910 8907 1 17 . 1 1 71 71 ILE C C 71 175.520 175.520 174.108 1.412 19910 8908 1 17 . 1 1 71 71 ILE CA C 71 59.420 59.420 60.535 -1.115 19910 8909 1 17 . 1 1 71 71 ILE CB C 71 42.240 42.240 40.965 1.275 19910 8910 1 17 . 1 1 71 71 ILE H H 71 6.990 6.990 7.745 -0.755 19910 8911 1 17 . 1 1 72 72 PHE N N 72 132.630 132.630 130.172 2.458 19910 8912 1 17 . 1 1 72 72 PHE HA H 72 5.377 5.377 5.577 -0.200 19910 8913 1 17 . 1 1 72 72 PHE C C 72 173.310 173.310 173.969 -0.659 19910 8914 1 17 . 1 1 72 72 PHE CA C 72 56.150 56.150 54.795 1.355 19910 8915 1 17 . 1 1 72 72 PHE CB C 72 41.630 41.630 40.930 0.700 19910 8916 1 17 . 1 1 72 72 PHE H H 72 9.720 9.720 9.241 0.479 19910 8917 1 17 . 1 1 73 73 THR N N 73 124.190 124.190 124.727 -0.537 19910 8918 1 17 . 1 1 73 73 THR HA H 73 5.047 5.047 4.867 0.180 19910 8919 1 17 . 1 1 73 73 THR C C 73 172.660 172.660 172.740 -0.080 19910 8920 1 17 . 1 1 73 73 THR CA C 73 61.480 61.480 61.244 0.236 19910 8921 1 17 . 1 1 73 73 THR CB C 73 69.950 69.950 71.075 -1.125 19910 8922 1 17 . 1 1 73 73 THR H H 73 8.610 8.610 9.334 -0.724 19910 8923 1 17 . 1 1 74 74 ILE N N 74 125.780 125.780 123.080 2.700 19910 8924 1 17 . 1 1 74 74 ILE HA H 74 4.557 4.557 5.145 -0.588 19910 8925 1 17 . 1 1 74 74 ILE C C 74 171.480 171.480 173.530 -2.050 19910 8926 1 17 . 1 1 74 74 ILE CA C 74 59.060 59.060 58.844 0.216 19910 8927 1 17 . 1 1 74 74 ILE CB C 74 41.510 41.510 42.782 -1.272 19910 8928 1 17 . 1 1 74 74 ILE H H 74 8.850 8.850 8.497 0.353 19910 8929 1 17 . 1 1 75 75 ARG N N 75 127.330 127.330 123.877 3.453 19910 8930 1 17 . 1 1 75 75 ARG HA H 75 4.859 4.859 4.913 -0.054 19910 8931 1 17 . 1 1 75 75 ARG C C 75 174.790 174.790 174.502 0.288 19910 8932 1 17 . 1 1 75 75 ARG CA C 75 54.460 54.460 54.800 -0.340 19910 8933 1 17 . 1 1 75 75 ARG CB C 75 31.460 31.460 33.445 -1.985 19910 8934 1 17 . 1 1 75 75 ARG H H 75 8.320 8.320 8.887 -0.567 19910 8935 1 17 . 1 1 76 76 LEU N N 76 125.120 125.120 121.160 3.960 19910 8936 1 17 . 1 1 76 76 LEU HA H 76 4.819 4.819 4.833 -0.014 19910 8937 1 17 . 1 1 76 76 LEU CA C 76 50.530 50.530 52.131 -1.601 19910 8938 1 17 . 1 1 76 76 LEU CB C 76 43.070 43.070 45.011 -1.941 19910 8939 1 17 . 1 1 76 76 LEU H H 76 9.300 9.300 8.264 1.036 19910 8940 1 17 . 1 1 77 77 PRO HA H 77 4.114 4.114 4.615 -0.501 19910 8941 1 17 . 1 1 77 77 PRO C C 77 176.430 176.430 176.408 0.022 19910 8942 1 17 . 1 1 77 77 PRO CA C 77 62.080 62.080 61.721 0.359 19910 8943 1 17 . 1 1 77 77 PRO CB C 77 31.220 31.220 32.643 -1.423 19910 8944 1 17 . 1 1 78 78 LYS N N 78 122.800 122.800 119.704 3.096 19910 8945 1 17 . 1 1 78 78 LYS HA H 78 4.062 4.062 4.480 -0.418 19910 8946 1 17 . 1 1 78 78 LYS C C 78 176.590 176.590 176.605 -0.015 19910 8947 1 17 . 1 1 78 78 LYS CA C 78 57.730 57.730 53.264 4.466 19910 8948 1 17 . 1 1 78 78 LYS CB C 78 32.800 32.800 33.164 -0.364 19910 8949 1 17 . 1 1 78 78 LYS H H 78 7.790 7.790 7.636 0.154 19910 8950 1 17 . 1 1 79 79 GLU N N 79 124.540 124.540 122.716 1.824 19910 8951 1 17 . 1 1 79 79 GLU HA H 79 3.689 3.689 4.262 -0.573 19910 8952 1 17 . 1 1 79 79 GLU C C 79 176.300 176.300 175.816 0.484 19910 8953 1 17 . 1 1 79 79 GLU CA C 79 59.420 59.420 57.261 2.159 19910 8954 1 17 . 1 1 79 79 GLU CB C 79 30.500 30.500 30.310 0.190 19910 8955 1 17 . 1 1 79 79 GLU H H 79 8.520 8.520 8.699 -0.179 19910 8956 1 17 . 1 1 80 80 THR N N 80 115.960 115.960 116.228 -0.268 19910 8957 1 17 . 1 1 80 80 THR HA H 80 4.485 4.485 4.676 -0.191 19910 8958 1 17 . 1 1 80 80 THR CA C 80 59.120 59.120 60.119 -0.999 19910 8959 1 17 . 1 1 80 80 THR CB C 80 69.330 69.330 70.289 -0.959 19910 8960 1 17 . 1 1 80 80 THR H H 80 9.070 9.070 7.675 1.395 19910 8961 1 17 . 1 1 81 81 PRO HA H 81 4.070 4.070 4.277 -0.207 19910 8962 1 17 . 1 1 81 81 PRO C C 81 177.860 177.860 178.389 -0.529 19910 8963 1 17 . 1 1 81 81 PRO CA C 81 63.900 63.900 62.962 0.938 19910 8964 1 17 . 1 1 81 81 PRO CB C 81 31.460 31.460 31.962 -0.502 19910 8965 1 17 . 1 1 82 82 GLY N N 82 113.580 113.580 110.761 2.819 19910 8966 1 17 . 1 1 82 82 GLY C C 82 174.870 174.870 174.158 0.712 19910 8967 1 17 . 1 1 82 82 GLY CA C 82 45.140 45.140 44.966 0.174 19910 8968 1 17 . 1 1 82 82 GLY H H 82 9.150 9.150 8.345 0.805 19910 8969 1 17 . 1 1 83 83 GLN N N 83 122.820 122.820 120.471 2.349 19910 8970 1 17 . 1 1 83 83 GLN HA H 83 4.159 4.159 4.318 -0.159 19910 8971 1 17 . 1 1 83 83 GLN C C 83 175.180 175.180 175.033 0.147 19910 8972 1 17 . 1 1 83 83 GLN CA C 83 56.390 56.390 55.446 0.944 19910 8973 1 17 . 1 1 83 83 GLN CB C 83 29.410 29.410 29.852 -0.442 19910 8974 1 17 . 1 1 83 83 GLN H H 83 7.960 7.960 7.523 0.437 19910 8975 1 17 . 1 1 84 84 HIS N N 84 131.340 131.340 126.326 5.014 19910 8976 1 17 . 1 1 84 84 HIS HA H 84 4.299 4.299 4.789 -0.490 19910 8977 1 17 . 1 1 84 84 HIS C C 84 175.300 175.300 173.865 1.435 19910 8978 1 17 . 1 1 84 84 HIS CA C 84 56.640 56.640 54.361 2.279 19910 8979 1 17 . 1 1 84 84 HIS CB C 84 30.980 30.980 32.560 -1.580 19910 8980 1 17 . 1 1 84 84 HIS H H 84 9.220 9.220 8.671 0.549 19910 8981 1 17 . 1 1 85 85 PHE N N 85 130.320 130.320 126.450 3.870 19910 8982 1 17 . 1 1 85 85 PHE HA H 85 4.722 4.722 4.423 0.299 19910 8983 1 17 . 1 1 85 85 PHE C C 85 174.890 174.890 175.299 -0.409 19910 8984 1 17 . 1 1 85 85 PHE CA C 85 54.580 54.580 55.415 -0.835 19910 8985 1 17 . 1 1 85 85 PHE CB C 85 36.430 36.430 37.371 -0.941 19910 8986 1 17 . 1 1 85 85 PHE H H 85 9.130 9.130 8.852 0.278 19910 8987 1 17 . 1 1 86 86 GLU N N 86 126.010 126.010 123.075 2.935 19910 8988 1 17 . 1 1 86 86 GLU HA H 86 4.199 4.199 4.094 0.105 19910 8989 1 17 . 1 1 86 86 GLU C C 86 177.000 177.000 177.182 -0.182 19910 8990 1 17 . 1 1 86 86 GLU CA C 86 55.910 55.910 56.666 -0.756 19910 8991 1 17 . 1 1 86 86 GLU CB C 86 30.620 30.620 30.513 0.107 19910 8992 1 17 . 1 1 86 86 GLU H H 86 8.900 8.900 7.656 1.244 19910 8993 1 17 . 1 1 87 87 GLY N N 87 108.540 108.540 107.664 0.876 19910 8994 1 17 . 1 1 87 87 GLY C C 87 177.370 177.370 175.538 1.832 19910 8995 1 17 . 1 1 87 87 GLY CA C 87 46.590 46.590 46.051 0.539 19910 8996 1 17 . 1 1 87 87 GLY H H 87 8.610 8.610 8.766 -0.156 19910 8997 1 17 . 1 1 88 88 LEU N N 88 119.830 119.830 120.073 -0.243 19910 8998 1 17 . 1 1 88 88 LEU HA H 88 3.775 3.775 4.016 -0.241 19910 8999 1 17 . 1 1 88 88 LEU C C 88 177.500 177.500 178.352 -0.852 19910 9000 1 17 . 1 1 88 88 LEU CA C 88 57.850 57.850 57.567 0.283 19910 9001 1 17 . 1 1 88 88 LEU CB C 88 40.780 40.780 41.905 -1.125 19910 9002 1 17 . 1 1 88 88 LEU H H 88 8.370 8.370 7.895 0.475 19910 9003 1 17 . 1 1 89 89 ASN N N 89 112.390 112.390 115.024 -2.634 19910 9004 1 17 . 1 1 89 89 ASN HA H 89 4.524 4.524 4.612 -0.088 19910 9005 1 17 . 1 1 89 89 ASN C C 89 175.440 175.440 175.236 0.204 19910 9006 1 17 . 1 1 89 89 ASN CA C 89 54.340 54.340 54.002 0.338 19910 9007 1 17 . 1 1 89 89 ASN CB C 89 37.030 37.030 38.391 -1.361 19910 9008 1 17 . 1 1 89 89 ASN H H 89 8.470 8.470 8.235 0.235 19910 9009 1 17 . 1 1 90 90 MET N N 90 117.460 117.460 117.001 0.459 19910 9010 1 17 . 1 1 90 90 MET HA H 90 4.626 4.626 4.499 0.127 19910 9011 1 17 . 1 1 90 90 MET C C 90 176.040 176.040 176.797 -0.757 19910 9012 1 17 . 1 1 90 90 MET CA C 90 54.340 54.340 55.605 -1.265 19910 9013 1 17 . 1 1 90 90 MET CB C 90 32.550 32.550 34.384 -1.834 19910 9014 1 17 . 1 1 90 90 MET H H 90 7.460 7.460 7.439 0.021 19910 9015 1 17 . 1 1 91 91 LEU N N 91 121.330 121.330 120.323 1.007 19910 9016 1 17 . 1 1 91 91 LEU HA H 91 4.277 4.277 4.211 0.066 19910 9017 1 17 . 1 1 91 91 LEU C C 91 176.870 176.870 176.274 0.596 19910 9018 1 17 . 1 1 91 91 LEU CA C 91 56.390 56.390 56.366 0.024 19910 9019 1 17 . 1 1 91 91 LEU CB C 91 42.480 42.480 42.318 0.162 19910 9020 1 17 . 1 1 91 91 LEU H H 91 7.280 7.280 8.058 -0.778 19910 9021 1 17 . 1 1 92 92 THR N N 92 113.970 113.970 111.823 2.147 19910 9022 1 17 . 1 1 92 92 THR HA H 92 4.582 4.582 4.505 0.077 19910 9023 1 17 . 1 1 92 92 THR C C 92 173.180 173.180 173.091 0.089 19910 9024 1 17 . 1 1 92 92 THR CA C 92 60.390 60.390 60.105 0.285 19910 9025 1 17 . 1 1 92 92 THR CB C 92 71.160 71.160 71.013 0.147 19910 9026 1 17 . 1 1 92 92 THR H H 92 8.110 8.110 8.038 0.072 19910 9027 1 17 . 1 1 93 93 ALA N N 93 124.650 124.650 124.684 -0.034 19910 9028 1 17 . 1 1 93 93 ALA HA H 93 4.245 4.245 4.723 -0.478 19910 9029 1 17 . 1 1 93 93 ALA C C 93 177.650 177.650 177.467 0.183 19910 9030 1 17 . 1 1 93 93 ALA CA C 93 52.640 52.640 51.395 1.245 19910 9031 1 17 . 1 1 93 93 ALA CB C 93 19.670 19.670 19.832 -0.162 19910 9032 1 17 . 1 1 93 93 ALA H H 93 8.430 8.430 8.308 0.122 19910 9033 1 17 . 1 1 94 94 LEU N N 94 123.150 123.150 121.496 1.654 19910 9034 1 17 . 1 1 94 94 LEU HA H 94 4.450 4.450 4.741 -0.291 19910 9035 1 17 . 1 1 94 94 LEU C C 94 177.420 177.420 176.337 1.083 19910 9036 1 17 . 1 1 94 94 LEU CA C 94 54.940 54.940 54.024 0.916 19910 9037 1 17 . 1 1 94 94 LEU CB C 94 42.480 42.480 42.960 -0.480 19910 9038 1 17 . 1 1 94 94 LEU H H 94 8.450 8.450 8.317 0.133 19910 9039 1 17 . 1 1 95 95 LEU N N 95 124.390 124.390 125.270 -0.880 19910 9040 1 17 . 1 1 95 95 LEU HA H 95 4.409 4.409 4.641 -0.232 19910 9041 1 17 . 1 1 95 95 LEU C C 95 175.990 175.990 176.809 -0.819 19910 9042 1 17 . 1 1 95 95 LEU CA C 95 55.060 55.060 54.868 0.192 19910 9043 1 17 . 1 1 95 95 LEU CB C 95 42.360 42.360 41.749 0.611 19910 9044 1 17 . 1 1 95 95 LEU H H 95 8.380 8.380 8.551 -0.171 19910 9045 1 18 . 1 1 2 2 LEU N N 2 123.170 123.170 126.936 -3.766 19910 9046 1 18 . 1 1 2 2 LEU HA H 2 4.588 4.588 4.675 -0.087 19910 9047 1 18 . 1 1 2 2 LEU C C 2 176.260 176.260 176.913 -0.653 19910 9048 1 18 . 1 1 2 2 LEU CA C 2 53.730 53.730 54.906 -1.176 19910 9049 1 18 . 1 1 2 2 LEU CB C 2 44.290 44.290 42.725 1.565 19910 9050 1 18 . 1 1 2 2 LEU H H 2 8.690 8.690 8.529 0.161 19910 9051 1 18 . 1 1 3 3 THR N N 3 120.960 120.960 122.147 -1.187 19910 9052 1 18 . 1 1 3 3 THR HA H 3 5.193 5.193 4.361 0.832 19910 9053 1 18 . 1 1 3 3 THR CA C 3 59.990 59.990 61.898 -1.909 19910 9054 1 18 . 1 1 3 3 THR CB C 3 69.950 69.950 68.945 1.005 19910 9055 1 18 . 1 1 3 3 THR H H 3 8.850 8.850 8.443 0.407 19910 9056 1 18 . 1 1 4 4 PRO HA H 4 4.718 4.718 4.370 0.348 19910 9057 1 18 . 1 1 4 4 PRO C C 4 175.870 175.870 176.802 -0.932 19910 9058 1 18 . 1 1 4 4 PRO CA C 4 62.080 62.080 62.980 -0.900 19910 9059 1 18 . 1 1 4 4 PRO CB C 4 31.950 31.950 32.276 -0.326 19910 9060 1 18 . 1 1 5 5 ALA N N 5 122.560 122.560 124.925 -2.365 19910 9061 1 18 . 1 1 5 5 ALA HA H 5 4.348 4.348 4.232 0.116 19910 9062 1 18 . 1 1 5 5 ALA C C 5 176.360 176.360 176.875 -0.515 19910 9063 1 18 . 1 1 5 5 ALA CA C 5 52.280 52.280 51.301 0.979 19910 9064 1 18 . 1 1 5 5 ALA CB C 5 18.880 18.880 17.137 1.743 19910 9065 1 18 . 1 1 5 5 ALA H H 5 8.400 8.400 8.361 0.039 19910 9066 1 18 . 1 1 6 6 PHE N N 6 115.160 115.160 118.356 -3.196 19910 9067 1 18 . 1 1 6 6 PHE HA H 6 5.537 5.537 4.443 1.094 19910 9068 1 18 . 1 1 6 6 PHE C C 6 172.590 172.590 174.983 -2.393 19910 9069 1 18 . 1 1 6 6 PHE CA C 6 55.430 55.430 57.691 -2.261 19910 9070 1 18 . 1 1 6 6 PHE CB C 6 42.240 42.240 40.032 2.208 19910 9071 1 18 . 1 1 6 6 PHE H H 6 7.740 7.740 8.071 -0.331 19910 9072 1 18 . 1 1 7 7 ASP N N 7 118.960 118.960 119.159 -0.199 19910 9073 1 18 . 1 1 7 7 ASP HA H 7 4.813 4.813 5.053 -0.240 19910 9074 1 18 . 1 1 7 7 ASP C C 7 174.530 174.530 174.173 0.357 19910 9075 1 18 . 1 1 7 7 ASP CA C 7 53.370 53.370 53.947 -0.577 19910 9076 1 18 . 1 1 7 7 ASP CB C 7 45.380 45.380 45.408 -0.028 19910 9077 1 18 . 1 1 7 7 ASP H H 7 8.910 8.910 8.298 0.612 19910 9078 1 18 . 1 1 8 8 LEU N N 8 123.470 123.470 121.126 2.344 19910 9079 1 18 . 1 1 8 8 LEU HA H 8 5.284 5.284 4.744 0.540 19910 9080 1 18 . 1 1 8 8 LEU C C 8 175.420 175.420 176.273 -0.853 19910 9081 1 18 . 1 1 8 8 LEU CA C 8 53.850 53.850 53.927 -0.077 19910 9082 1 18 . 1 1 8 8 LEU CB C 8 45.620 45.620 43.380 2.240 19910 9083 1 18 . 1 1 8 8 LEU H H 8 8.750 8.750 8.240 0.510 19910 9084 1 18 . 1 1 9 9 SER N N 9 115.920 115.920 117.550 -1.630 19910 9085 1 18 . 1 1 9 9 SER HA H 9 4.486 4.486 4.836 -0.350 19910 9086 1 18 . 1 1 9 9 SER C C 9 171.680 171.680 173.289 -1.609 19910 9087 1 18 . 1 1 9 9 SER CA C 9 57.000 57.000 57.056 -0.056 19910 9088 1 18 . 1 1 9 9 SER CB C 9 65.590 65.590 66.043 -0.453 19910 9089 1 18 . 1 1 9 9 SER H H 9 8.860 8.860 9.026 -0.166 19910 9090 1 18 . 1 1 10 10 GLN N N 10 115.230 115.230 121.967 -6.737 19910 9091 1 18 . 1 1 10 10 GLN HA H 10 5.375 5.375 4.653 0.722 19910 9092 1 18 . 1 1 10 10 GLN C C 10 172.130 172.130 173.756 -1.626 19910 9093 1 18 . 1 1 10 10 GLN CA C 10 54.270 54.270 54.269 0.001 19910 9094 1 18 . 1 1 10 10 GLN CB C 10 32.990 32.990 31.463 1.527 19910 9095 1 18 . 1 1 10 10 GLN H H 10 8.800 8.800 8.360 0.440 19910 9096 1 18 . 1 1 11 11 ASP N N 11 124.270 124.270 123.335 0.935 19910 9097 1 18 . 1 1 11 11 ASP HA H 11 4.768 4.768 5.061 -0.293 19910 9098 1 18 . 1 1 11 11 ASP CA C 11 52.530 52.530 51.040 1.490 19910 9099 1 18 . 1 1 11 11 ASP CB C 11 42.200 42.200 42.491 -0.291 19910 9100 1 18 . 1 1 11 11 ASP H H 11 8.680 8.680 8.342 0.338 19910 9101 1 18 . 1 1 12 12 PRO HA H 12 4.050 4.050 4.382 -0.332 19910 9102 1 18 . 1 1 12 12 PRO C C 12 175.290 175.290 175.806 -0.516 19910 9103 1 18 . 1 1 12 12 PRO CA C 12 66.920 66.920 64.552 2.368 19910 9104 1 18 . 1 1 12 12 PRO CB C 12 31.950 31.950 32.117 -0.167 19910 9105 1 18 . 1 1 13 13 ASP N N 13 110.550 110.550 114.661 -4.111 19910 9106 1 18 . 1 1 13 13 ASP HA H 13 4.632 4.632 4.608 0.024 19910 9107 1 18 . 1 1 13 13 ASP C C 13 176.480 176.480 174.078 2.402 19910 9108 1 18 . 1 1 13 13 ASP CA C 13 54.940 54.940 53.751 1.189 19910 9109 1 18 . 1 1 13 13 ASP CB C 13 44.410 44.410 42.228 2.182 19910 9110 1 18 . 1 1 13 13 ASP H H 13 7.990 7.990 8.305 -0.315 19910 9111 1 18 . 1 1 14 14 PHE N N 14 118.880 118.880 116.171 2.709 19910 9112 1 18 . 1 1 14 14 PHE HA H 14 5.049 5.049 4.809 0.240 19910 9113 1 18 . 1 1 14 14 PHE C C 14 174.690 174.690 173.254 1.436 19910 9114 1 18 . 1 1 14 14 PHE CA C 14 57.600 57.600 57.395 0.205 19910 9115 1 18 . 1 1 14 14 PHE CB C 14 42.960 42.960 43.455 -0.495 19910 9116 1 18 . 1 1 14 14 PHE H H 14 8.390 8.390 8.037 0.353 19910 9117 1 18 . 1 1 15 15 LEU N N 15 123.990 123.990 121.766 2.224 19910 9118 1 18 . 1 1 15 15 LEU HA H 15 4.613 4.613 4.649 -0.036 19910 9119 1 18 . 1 1 15 15 LEU C C 15 174.780 174.780 174.722 0.058 19910 9120 1 18 . 1 1 15 15 LEU CA C 15 53.250 53.250 54.169 -0.919 19910 9121 1 18 . 1 1 15 15 LEU CB C 15 45.020 45.020 43.680 1.340 19910 9122 1 18 . 1 1 15 15 LEU H H 15 9.200 9.200 8.837 0.363 19910 9123 1 18 . 1 1 16 16 THR N N 16 122.960 122.960 124.272 -1.312 19910 9124 1 18 . 1 1 16 16 THR HA H 16 4.849 4.849 4.930 -0.081 19910 9125 1 18 . 1 1 16 16 THR C C 16 172.810 172.810 173.397 -0.587 19910 9126 1 18 . 1 1 16 16 THR CA C 16 62.690 62.690 61.923 0.767 19910 9127 1 18 . 1 1 16 16 THR CB C 16 69.340 69.340 70.634 -1.294 19910 9128 1 18 . 1 1 16 16 THR H H 16 9.000 9.000 8.844 0.156 19910 9129 1 18 . 1 1 17 17 ILE N N 17 126.630 126.630 124.963 1.667 19910 9130 1 18 . 1 1 17 17 ILE HA H 17 4.439 4.439 4.426 0.013 19910 9131 1 18 . 1 1 17 17 ILE C C 17 172.580 172.580 173.711 -1.131 19910 9132 1 18 . 1 1 17 17 ILE CA C 17 60.030 60.030 59.587 0.443 19910 9133 1 18 . 1 1 17 17 ILE CB C 17 39.450 39.450 41.059 -1.609 19910 9134 1 18 . 1 1 17 17 ILE H H 17 8.680 8.680 8.272 0.408 19910 9135 1 18 . 1 1 18 18 ALA N N 18 130.190 130.190 128.422 1.768 19910 9136 1 18 . 1 1 18 18 ALA HA H 18 5.215 5.215 5.427 -0.212 19910 9137 1 18 . 1 1 18 18 ALA C C 18 176.660 176.660 175.518 1.142 19910 9138 1 18 . 1 1 18 18 ALA CA C 18 49.980 49.980 49.755 0.225 19910 9139 1 18 . 1 1 18 18 ALA CB C 18 20.570 20.570 22.555 -1.985 19910 9140 1 18 . 1 1 18 18 ALA H H 18 8.490 8.490 8.559 -0.069 19910 9141 1 18 . 1 1 19 19 ILE N N 19 124.920 124.920 120.546 4.374 19910 9142 1 18 . 1 1 19 19 ILE HA H 19 4.307 4.307 4.449 -0.142 19910 9143 1 18 . 1 1 19 19 ILE C C 19 174.710 174.710 174.819 -0.109 19910 9144 1 18 . 1 1 19 19 ILE CA C 19 60.990 60.990 59.420 1.570 19910 9145 1 18 . 1 1 19 19 ILE CB C 19 40.900 40.900 41.167 -0.267 19910 9146 1 18 . 1 1 19 19 ILE H H 19 9.590 9.590 8.321 1.269 19910 9147 1 18 . 1 1 20 20 ARG N N 20 128.960 128.960 128.160 0.800 19910 9148 1 18 . 1 1 20 20 ARG HA H 20 4.642 4.642 4.236 0.406 19910 9149 1 18 . 1 1 20 20 ARG C C 20 174.890 174.890 174.855 0.035 19910 9150 1 18 . 1 1 20 20 ARG CA C 20 56.030 56.030 56.444 -0.414 19910 9151 1 18 . 1 1 20 20 ARG CB C 20 29.530 29.530 30.223 -0.693 19910 9152 1 18 . 1 1 20 20 ARG H H 20 8.600 8.600 8.573 0.027 19910 9153 1 18 . 1 1 21 21 VAL N N 21 120.400 120.400 122.641 -2.241 19910 9154 1 18 . 1 1 21 21 VAL HA H 21 4.010 4.010 4.014 -0.004 19910 9155 1 18 . 1 1 21 21 VAL C C 21 174.950 174.950 173.977 0.973 19910 9156 1 18 . 1 1 21 21 VAL CA C 21 59.420 59.420 59.791 -0.371 19910 9157 1 18 . 1 1 21 21 VAL CB C 21 33.280 33.280 34.533 -1.253 19910 9158 1 18 . 1 1 21 21 VAL H H 21 8.020 8.020 7.733 0.287 19910 9159 1 18 . 1 1 22 22 SER N N 22 118.050 118.050 118.988 -0.938 19910 9160 1 18 . 1 1 22 22 SER HA H 22 4.540 4.540 4.665 -0.125 19910 9161 1 18 . 1 1 22 22 SER C C 22 174.110 174.110 175.428 -1.318 19910 9162 1 18 . 1 1 22 22 SER CA C 22 59.540 59.540 58.306 1.234 19910 9163 1 18 . 1 1 22 22 SER CB C 22 63.600 63.600 64.054 -0.454 19910 9164 1 18 . 1 1 22 22 SER H H 22 7.770 7.770 8.075 -0.305 19910 9165 1 18 . 1 1 23 23 TYR N N 23 120.870 120.870 121.934 -1.064 19910 9166 1 18 . 1 1 23 23 TYR HA H 23 4.493 4.493 4.415 0.078 19910 9167 1 18 . 1 1 23 23 TYR C C 23 175.310 175.310 176.168 -0.858 19910 9168 1 18 . 1 1 23 23 TYR CA C 23 58.210 58.210 57.469 0.741 19910 9169 1 18 . 1 1 23 23 TYR CB C 23 37.880 37.880 37.956 -0.076 19910 9170 1 18 . 1 1 23 23 TYR H H 23 8.300 8.300 7.903 0.397 19910 9171 1 18 . 1 1 24 24 ALA N N 24 122.670 122.670 121.525 1.145 19910 9172 1 18 . 1 1 24 24 ALA HA H 24 4.303 4.303 4.045 0.258 19910 9173 1 18 . 1 1 24 24 ALA C C 24 177.160 177.160 177.828 -0.668 19910 9174 1 18 . 1 1 24 24 ALA CA C 24 52.520 52.520 52.694 -0.174 19910 9175 1 18 . 1 1 24 24 ALA CB C 24 19.730 19.730 18.827 0.903 19910 9176 1 18 . 1 1 24 24 ALA H H 24 7.910 7.910 8.271 -0.361 19910 9177 1 18 . 1 1 25 25 ARG N N 25 119.060 119.060 122.302 -3.242 19910 9178 1 18 . 1 1 25 25 ARG HA H 25 4.346 4.346 4.329 0.017 19910 9179 1 18 . 1 1 25 25 ARG C C 25 175.830 175.830 175.925 -0.095 19910 9180 1 18 . 1 1 25 25 ARG CA C 25 55.550 55.550 56.393 -0.843 19910 9181 1 18 . 1 1 25 25 ARG CB C 25 30.500 30.500 30.533 -0.033 19910 9182 1 18 . 1 1 25 25 ARG H H 25 8.220 8.220 8.721 -0.501 19910 9183 1 18 . 1 1 26 26 VAL N N 26 118.660 118.660 113.107 5.553 19910 9184 1 18 . 1 1 26 26 VAL HA H 26 3.454 3.454 4.416 -0.962 19910 9185 1 18 . 1 1 26 26 VAL C C 26 175.700 175.700 175.800 -0.100 19910 9186 1 18 . 1 1 26 26 VAL CA C 26 61.960 61.960 60.450 1.510 19910 9187 1 18 . 1 1 26 26 VAL CB C 26 32.800 32.800 34.167 -1.367 19910 9188 1 18 . 1 1 26 26 VAL H H 26 7.650 7.650 7.453 0.197 19910 9189 1 18 . 1 1 27 27 SER N N 27 116.090 116.090 119.016 -2.926 19910 9190 1 18 . 1 1 27 27 SER HA H 27 4.183 4.183 4.281 -0.098 19910 9191 1 18 . 1 1 27 27 SER C C 27 173.750 173.750 174.846 -1.096 19910 9192 1 18 . 1 1 27 27 SER CA C 27 58.570 58.570 60.281 -1.711 19910 9193 1 18 . 1 1 27 27 SER CB C 27 63.530 63.530 63.196 0.334 19910 9194 1 18 . 1 1 27 27 SER H H 27 8.180 8.180 8.682 -0.502 19910 9195 1 18 . 1 1 28 28 GLU N N 28 120.070 120.070 119.606 0.464 19910 9196 1 18 . 1 1 28 28 GLU HA H 28 4.203 4.203 4.072 0.131 19910 9197 1 18 . 1 1 28 28 GLU C C 28 174.790 174.790 175.449 -0.659 19910 9198 1 18 . 1 1 28 28 GLU CA C 28 55.550 55.550 54.986 0.564 19910 9199 1 18 . 1 1 28 28 GLU CB C 28 30.620 30.620 30.771 -0.151 19910 9200 1 18 . 1 1 28 28 GLU H H 28 7.400 7.400 7.820 -0.420 19910 9201 1 18 . 1 1 29 29 PHE N N 29 120.340 120.340 121.622 -1.282 19910 9202 1 18 . 1 1 29 29 PHE HA H 29 4.487 4.487 4.405 0.082 19910 9203 1 18 . 1 1 29 29 PHE C C 29 174.580 174.580 175.832 -1.252 19910 9204 1 18 . 1 1 29 29 PHE CA C 29 55.790 55.790 55.115 0.675 19910 9205 1 18 . 1 1 29 29 PHE CB C 29 39.690 39.690 39.260 0.430 19910 9206 1 18 . 1 1 29 29 PHE H H 29 7.820 7.820 7.844 -0.024 19910 9207 1 18 . 1 1 30 30 ASP N N 30 123.670 123.670 121.868 1.802 19910 9208 1 18 . 1 1 30 30 ASP HA H 30 4.817 4.817 4.850 -0.033 19910 9209 1 18 . 1 1 30 30 ASP C C 30 174.040 174.040 174.318 -0.278 19910 9210 1 18 . 1 1 30 30 ASP CA C 30 53.850 53.850 53.849 0.001 19910 9211 1 18 . 1 1 30 30 ASP CB C 30 43.450 43.450 42.711 0.739 19910 9212 1 18 . 1 1 30 30 ASP H H 30 8.420 8.420 8.474 -0.054 19910 9213 1 18 . 1 1 31 31 VAL N N 31 123.010 123.010 123.553 -0.543 19910 9214 1 18 . 1 1 31 31 VAL HA H 31 4.768 4.768 4.814 -0.046 19910 9215 1 18 . 1 1 31 31 VAL C C 31 173.980 173.980 174.969 -0.989 19910 9216 1 18 . 1 1 31 31 VAL CA C 31 60.510 60.510 61.090 -0.580 19910 9217 1 18 . 1 1 31 31 VAL CB C 31 34.730 34.730 32.875 1.855 19910 9218 1 18 . 1 1 31 31 VAL H H 31 8.270 8.270 8.392 -0.122 19910 9219 1 18 . 1 1 32 32 TYR N N 32 127.340 127.340 127.258 0.082 19910 9220 1 18 . 1 1 32 32 TYR HA H 32 4.624 4.624 4.954 -0.330 19910 9221 1 18 . 1 1 32 32 TYR C C 32 172.990 172.990 174.358 -1.368 19910 9222 1 18 . 1 1 32 32 TYR CA C 32 56.520 56.520 56.968 -0.448 19910 9223 1 18 . 1 1 32 32 TYR CB C 32 41.870 41.870 40.730 1.140 19910 9224 1 18 . 1 1 32 32 TYR H H 32 8.920 8.920 9.259 -0.339 19910 9225 1 18 . 1 1 33 33 PHE N N 33 121.160 121.160 120.976 0.184 19910 9226 1 18 . 1 1 33 33 PHE HA H 33 5.106 5.106 6.102 -0.996 19910 9227 1 18 . 1 1 33 33 PHE C C 33 173.100 173.100 174.320 -1.220 19910 9228 1 18 . 1 1 33 33 PHE CA C 33 55.310 55.310 54.492 0.818 19910 9229 1 18 . 1 1 33 33 PHE CB C 33 40.420 40.420 41.871 -1.451 19910 9230 1 18 . 1 1 33 33 PHE H H 33 7.510 7.510 8.877 -1.367 19910 9231 1 18 . 1 1 34 34 GLU N N 34 120.460 120.460 121.904 -1.444 19910 9232 1 18 . 1 1 34 34 GLU HA H 34 4.099 4.099 4.657 -0.558 19910 9233 1 18 . 1 1 34 34 GLU C C 34 175.700 175.700 176.442 -0.742 19910 9234 1 18 . 1 1 34 34 GLU CA C 34 56.640 56.640 54.924 1.716 19910 9235 1 18 . 1 1 34 34 GLU CB C 34 31.340 31.340 31.395 -0.056 19910 9236 1 18 . 1 1 34 34 GLU H H 34 8.190 8.190 8.556 -0.365 19910 9237 1 18 . 1 1 35 35 GLY N N 35 117.400 117.400 115.720 1.680 19910 9238 1 18 . 1 1 35 35 GLY C C 35 173.120 173.120 174.501 -1.381 19910 9239 1 18 . 1 1 35 35 GLY CA C 35 47.680 47.680 47.350 0.330 19910 9240 1 18 . 1 1 35 35 GLY H H 35 9.240 9.240 8.682 0.558 19910 9241 1 18 . 1 1 36 36 SER N N 36 122.510 122.510 118.148 4.362 19910 9242 1 18 . 1 1 36 36 SER HA H 36 4.795 4.795 4.808 -0.013 19910 9243 1 18 . 1 1 36 36 SER C C 36 172.680 172.680 172.523 0.157 19910 9244 1 18 . 1 1 36 36 SER CA C 36 57.360 57.360 57.447 -0.087 19910 9245 1 18 . 1 1 36 36 SER CB C 36 64.500 64.500 65.149 -0.649 19910 9246 1 18 . 1 1 36 36 SER H H 36 8.930 8.930 8.497 0.433 19910 9247 1 18 . 1 1 37 37 ASP N N 37 123.120 123.120 123.552 -0.432 19910 9248 1 18 . 1 1 37 37 ASP HA H 37 5.192 5.192 5.180 0.012 19910 9249 1 18 . 1 1 37 37 ASP C C 37 174.170 174.170 174.027 0.143 19910 9250 1 18 . 1 1 37 37 ASP CA C 37 54.340 54.340 54.431 -0.091 19910 9251 1 18 . 1 1 37 37 ASP CB C 37 43.810 43.810 44.005 -0.195 19910 9252 1 18 . 1 1 37 37 ASP H H 37 8.600 8.600 8.064 0.536 19910 9253 1 18 . 1 1 38 38 PHE N N 38 122.850 122.850 125.700 -2.850 19910 9254 1 18 . 1 1 38 38 PHE HA H 38 5.053 5.053 5.493 -0.440 19910 9255 1 18 . 1 1 38 38 PHE C C 38 172.810 172.810 173.369 -0.559 19910 9256 1 18 . 1 1 38 38 PHE CA C 38 57.000 57.000 56.427 0.573 19910 9257 1 18 . 1 1 38 38 PHE CB C 38 43.080 43.080 42.336 0.744 19910 9258 1 18 . 1 1 38 38 PHE H H 38 8.340 8.340 8.758 -0.418 19910 9259 1 18 . 1 1 39 39 LYS N N 39 126.630 126.630 128.714 -2.084 19910 9260 1 18 . 1 1 39 39 LYS HA H 39 4.816 4.816 5.017 -0.201 19910 9261 1 18 . 1 1 39 39 LYS C C 39 172.540 172.540 174.398 -1.858 19910 9262 1 18 . 1 1 39 39 LYS CA C 39 54.890 54.890 54.444 0.446 19910 9263 1 18 . 1 1 39 39 LYS CB C 39 36.790 36.790 35.057 1.733 19910 9264 1 18 . 1 1 39 39 LYS H H 39 8.690 8.690 9.082 -0.392 19910 9265 1 18 . 1 1 40 40 PHE N N 40 123.910 123.910 125.768 -1.858 19910 9266 1 18 . 1 1 40 40 PHE HA H 40 4.923 4.923 5.555 -0.632 19910 9267 1 18 . 1 1 40 40 PHE C C 40 171.900 171.900 173.220 -1.320 19910 9268 1 18 . 1 1 40 40 PHE CA C 40 55.910 55.910 55.354 0.556 19910 9269 1 18 . 1 1 40 40 PHE CB C 40 43.450 43.450 42.620 0.830 19910 9270 1 18 . 1 1 40 40 PHE H H 40 8.750 8.750 8.533 0.217 19910 9271 1 18 . 1 1 41 41 TYR N N 41 126.490 126.490 126.117 0.373 19910 9272 1 18 . 1 1 41 41 TYR HA H 41 4.958 4.958 5.345 -0.387 19910 9273 1 18 . 1 1 41 41 TYR C C 41 173.070 173.070 174.375 -1.305 19910 9274 1 18 . 1 1 41 41 TYR CA C 41 55.670 55.670 55.762 -0.092 19910 9275 1 18 . 1 1 41 41 TYR CB C 41 41.510 41.510 40.797 0.713 19910 9276 1 18 . 1 1 41 41 TYR H H 41 8.450 8.450 8.836 -0.386 19910 9277 1 18 . 1 1 42 42 ALA N N 42 129.720 129.720 124.361 5.359 19910 9278 1 18 . 1 1 42 42 ALA HA H 42 4.024 4.024 4.767 -0.743 19910 9279 1 18 . 1 1 42 42 ALA C C 42 174.350 174.350 176.004 -1.654 19910 9280 1 18 . 1 1 42 42 ALA CA C 42 51.190 51.190 50.872 0.318 19910 9281 1 18 . 1 1 42 42 ALA CB C 42 20.330 20.330 19.623 0.707 19910 9282 1 18 . 1 1 42 42 ALA H H 42 7.970 7.970 8.864 -0.894 19910 9283 1 18 . 1 1 43 43 LYS N N 43 124.250 124.250 118.648 5.602 19910 9284 1 18 . 1 1 43 43 LYS HA H 43 3.634 3.634 4.138 -0.504 19910 9285 1 18 . 1 1 43 43 LYS CA C 43 56.260 56.260 58.224 -1.964 19910 9286 1 18 . 1 1 43 43 LYS CB C 43 32.860 32.860 29.593 3.267 19910 9287 1 18 . 1 1 43 43 LYS H H 43 7.850 7.850 8.343 -0.493 19910 9288 1 18 . 1 1 44 44 PRO HA H 44 4.487 4.487 4.481 0.006 19910 9289 1 18 . 1 1 44 44 PRO C C 44 173.980 173.980 175.054 -1.074 19910 9290 1 18 . 1 1 44 44 PRO CA C 44 64.380 64.380 63.776 0.604 19910 9291 1 18 . 1 1 44 44 PRO CB C 44 34.010 34.010 32.073 1.937 19910 9292 1 18 . 1 1 45 45 TYR N N 45 126.840 126.840 119.476 7.364 19910 9293 1 18 . 1 1 45 45 TYR HA H 45 5.274 5.274 4.112 1.162 19910 9294 1 18 . 1 1 45 45 TYR C C 45 175.290 175.290 173.803 1.487 19910 9295 1 18 . 1 1 45 45 TYR CA C 45 58.330 58.330 56.848 1.482 19910 9296 1 18 . 1 1 45 45 TYR CB C 45 40.300 40.300 38.543 1.757 19910 9297 1 18 . 1 1 45 45 TYR H H 45 9.360 9.360 7.647 1.713 19910 9298 1 18 . 1 1 46 46 PHE N N 46 121.470 121.470 121.247 0.223 19910 9299 1 18 . 1 1 46 46 PHE HA H 46 5.422 5.422 5.606 -0.184 19910 9300 1 18 . 1 1 46 46 PHE C C 46 173.180 173.180 174.667 -1.487 19910 9301 1 18 . 1 1 46 46 PHE CA C 46 56.520 56.520 55.389 1.131 19910 9302 1 18 . 1 1 46 46 PHE CB C 46 43.930 43.930 41.219 2.711 19910 9303 1 18 . 1 1 46 46 PHE H H 46 8.870 8.870 7.858 1.012 19910 9304 1 18 . 1 1 47 47 LEU N N 47 129.700 129.700 125.925 3.775 19910 9305 1 18 . 1 1 47 47 LEU HA H 47 4.565 4.565 4.609 -0.044 19910 9306 1 18 . 1 1 47 47 LEU C C 47 171.770 171.770 174.919 -3.149 19910 9307 1 18 . 1 1 47 47 LEU CA C 47 53.130 53.130 53.776 -0.646 19910 9308 1 18 . 1 1 47 47 LEU CB C 47 47.560 47.560 44.758 2.802 19910 9309 1 18 . 1 1 47 47 LEU H H 47 8.850 8.850 9.068 -0.218 19910 9310 1 18 . 1 1 48 48 ARG N N 48 127.760 127.760 127.958 -0.198 19910 9311 1 18 . 1 1 48 48 ARG HA H 48 5.283 5.283 5.200 0.083 19910 9312 1 18 . 1 1 48 48 ARG C C 48 174.090 174.090 174.822 -0.732 19910 9313 1 18 . 1 1 48 48 ARG CA C 48 54.100 54.100 54.914 -0.814 19910 9314 1 18 . 1 1 48 48 ARG CB C 48 33.160 33.160 31.416 1.744 19910 9315 1 18 . 1 1 48 48 ARG H H 48 8.620 8.620 8.559 0.061 19910 9316 1 18 . 1 1 49 49 LEU N N 49 122.890 122.890 128.956 -6.066 19910 9317 1 18 . 1 1 49 49 LEU HA H 49 4.855 4.855 4.850 0.005 19910 9318 1 18 . 1 1 49 49 LEU C C 49 175.880 175.880 175.747 0.133 19910 9319 1 18 . 1 1 49 49 LEU CA C 49 52.880 52.880 53.939 -1.059 19910 9320 1 18 . 1 1 49 49 LEU CB C 49 47.800 47.800 45.752 2.049 19910 9321 1 18 . 1 1 49 49 LEU H H 49 8.970 8.970 9.005 -0.035 19910 9322 1 18 . 1 1 50 50 THR N N 50 118.610 118.610 120.460 -1.850 19910 9323 1 18 . 1 1 50 50 THR HA H 50 4.862 4.862 4.650 0.212 19910 9324 1 18 . 1 1 50 50 THR C C 50 174.610 174.610 174.652 -0.042 19910 9325 1 18 . 1 1 50 50 THR CA C 50 61.110 61.110 62.315 -1.205 19910 9326 1 18 . 1 1 50 50 THR CB C 50 69.220 69.220 68.870 0.350 19910 9327 1 18 . 1 1 50 50 THR H H 50 8.670 8.670 8.530 0.140 19910 9328 1 18 . 1 1 51 51 LEU N N 51 126.300 126.300 129.015 -2.715 19910 9329 1 18 . 1 1 51 51 LEU HA H 51 4.302 4.302 4.407 -0.105 19910 9330 1 18 . 1 1 51 51 LEU CA C 51 52.650 52.650 53.869 -1.219 19910 9331 1 18 . 1 1 51 51 LEU CB C 51 41.950 41.950 42.053 -0.103 19910 9332 1 18 . 1 1 51 51 LEU H H 51 9.540 9.540 8.394 1.146 19910 9333 1 18 . 1 1 52 52 PRO HA H 52 4.401 4.401 4.274 0.127 19910 9334 1 18 . 1 1 52 52 PRO C C 52 174.240 174.240 176.334 -2.094 19910 9335 1 18 . 1 1 52 52 PRO CA C 52 62.690 62.690 63.594 -0.904 19910 9336 1 18 . 1 1 52 52 PRO CB C 52 30.620 30.620 32.172 -1.552 19910 9337 1 18 . 1 1 53 53 GLY N N 53 105.990 105.990 107.609 -1.619 19910 9338 1 18 . 1 1 53 53 GLY C C 53 170.520 170.520 172.853 -2.333 19910 9339 1 18 . 1 1 53 53 GLY CA C 53 43.450 43.450 42.625 0.825 19910 9340 1 18 . 1 1 53 53 GLY H H 53 6.550 6.550 6.495 0.055 19910 9341 1 18 . 1 1 54 54 ARG N N 54 115.660 115.660 118.789 -3.129 19910 9342 1 18 . 1 1 54 54 ARG HA H 54 4.347 4.347 5.211 -0.864 19910 9343 1 18 . 1 1 54 54 ARG C C 54 176.940 176.940 174.946 1.994 19910 9344 1 18 . 1 1 54 54 ARG CA C 54 55.890 55.890 54.912 0.978 19910 9345 1 18 . 1 1 54 54 ARG CB C 54 32.310 32.310 33.571 -1.261 19910 9346 1 18 . 1 1 54 54 ARG H H 54 8.210 8.210 8.348 -0.138 19910 9347 1 18 . 1 1 55 55 ILE N N 55 118.910 118.910 125.625 -6.715 19910 9348 1 18 . 1 1 55 55 ILE HA H 55 5.003 5.003 4.704 0.299 19910 9349 1 18 . 1 1 55 55 ILE C C 55 175.310 175.310 174.876 0.434 19910 9350 1 18 . 1 1 55 55 ILE CA C 55 58.500 58.500 58.282 0.218 19910 9351 1 18 . 1 1 55 55 ILE CB C 55 40.950 40.950 39.263 1.687 19910 9352 1 18 . 1 1 55 55 ILE H H 55 8.640 8.640 9.291 -0.651 19910 9353 1 18 . 1 1 56 56 VAL N N 56 118.140 118.140 126.594 -8.454 19910 9354 1 18 . 1 1 56 56 VAL HA H 56 4.438 4.438 3.993 0.445 19910 9355 1 18 . 1 1 56 56 VAL C C 56 172.920 172.920 175.032 -2.112 19910 9356 1 18 . 1 1 56 56 VAL CA C 56 60.510 60.510 62.024 -1.514 19910 9357 1 18 . 1 1 56 56 VAL CB C 56 34.850 34.850 33.067 1.783 19910 9358 1 18 . 1 1 56 56 VAL H H 56 8.330 8.330 7.983 0.347 19910 9359 1 18 . 1 1 57 57 GLU N N 57 123.300 123.300 125.338 -2.038 19910 9360 1 18 . 1 1 57 57 GLU HA H 57 4.358 4.358 4.226 0.132 19910 9361 1 18 . 1 1 57 57 GLU C C 57 176.350 176.350 174.970 1.380 19910 9362 1 18 . 1 1 57 57 GLU CA C 57 55.890 55.890 55.370 0.520 19910 9363 1 18 . 1 1 57 57 GLU CB C 57 29.880 29.880 30.846 -0.966 19910 9364 1 18 . 1 1 57 57 GLU H H 57 8.380 8.380 8.439 -0.059 19910 9365 1 18 . 1 1 58 58 ASN N N 58 121.570 121.570 121.646 -0.076 19910 9366 1 18 . 1 1 58 58 ASN HA H 58 4.764 4.764 4.742 0.022 19910 9367 1 18 . 1 1 58 58 ASN C C 58 176.120 176.120 175.056 1.064 19910 9368 1 18 . 1 1 58 58 ASN CA C 58 52.760 52.760 53.826 -1.066 19910 9369 1 18 . 1 1 58 58 ASN CB C 58 38.970 38.970 39.294 -0.324 19910 9370 1 18 . 1 1 58 58 ASN H H 58 8.360 8.360 8.752 -0.392 19910 9371 1 18 . 1 1 59 59 GLY N N 59 112.050 112.050 108.244 3.806 19910 9372 1 18 . 1 1 59 59 GLY C C 59 174.840 174.840 174.987 -0.147 19910 9373 1 18 . 1 1 59 59 GLY CA C 59 45.380 45.380 45.296 0.084 19910 9374 1 18 . 1 1 59 59 GLY H H 59 9.350 9.350 8.501 0.849 19910 9375 1 18 . 1 1 60 60 SER N N 60 115.430 115.430 117.030 -1.600 19910 9376 1 18 . 1 1 60 60 SER HA H 60 4.536 4.536 4.440 0.096 19910 9377 1 18 . 1 1 60 60 SER C C 60 174.140 174.140 175.752 -1.612 19910 9378 1 18 . 1 1 60 60 SER CA C 60 58.810 58.810 59.295 -0.485 19910 9379 1 18 . 1 1 60 60 SER CB C 60 64.140 64.140 63.384 0.756 19910 9380 1 18 . 1 1 60 60 SER H H 60 8.350 8.350 8.231 0.119 19910 9381 1 18 . 1 1 61 61 GLU N N 61 122.950 122.950 118.779 4.171 19910 9382 1 18 . 1 1 61 61 GLU HA H 61 4.525 4.525 3.989 0.536 19910 9383 1 18 . 1 1 61 61 GLU C C 61 175.550 175.550 175.545 0.005 19910 9384 1 18 . 1 1 61 61 GLU CA C 61 56.520 56.520 57.835 -1.315 19910 9385 1 18 . 1 1 61 61 GLU CB C 61 29.530 29.530 29.119 0.411 19910 9386 1 18 . 1 1 61 61 GLU H H 61 8.910 8.910 8.196 0.714 19910 9387 1 18 . 1 1 62 62 GLN N N 62 120.280 120.280 119.923 0.357 19910 9388 1 18 . 1 1 62 62 GLN HA H 62 4.601 4.601 4.550 0.051 19910 9389 1 18 . 1 1 62 62 GLN C C 62 175.700 175.700 174.409 1.291 19910 9390 1 18 . 1 1 62 62 GLN CA C 62 55.430 55.430 55.249 0.181 19910 9391 1 18 . 1 1 62 62 GLN CB C 62 31.340 31.340 32.755 -1.415 19910 9392 1 18 . 1 1 62 62 GLN H H 62 8.310 8.310 8.000 0.310 19910 9393 1 18 . 1 1 63 63 GLY N N 63 111.400 111.400 109.702 1.698 19910 9394 1 18 . 1 1 63 63 GLY C C 63 172.550 172.550 173.224 -0.674 19910 9395 1 18 . 1 1 63 63 GLY CA C 63 44.690 44.690 44.383 0.306 19910 9396 1 18 . 1 1 63 63 GLY H H 63 8.880 8.880 8.383 0.497 19910 9397 1 18 . 1 1 64 64 SER N N 64 115.080 115.080 119.782 -4.702 19910 9398 1 18 . 1 1 64 64 SER HA H 64 4.629 4.629 4.783 -0.154 19910 9399 1 18 . 1 1 64 64 SER C C 64 171.770 171.770 173.247 -1.477 19910 9400 1 18 . 1 1 64 64 SER CA C 64 57.120 57.120 57.850 -0.730 19910 9401 1 18 . 1 1 64 64 SER CB C 64 65.230 65.230 65.340 -0.110 19910 9402 1 18 . 1 1 64 64 SER H H 64 8.280 8.280 8.542 -0.262 19910 9403 1 18 . 1 1 65 65 TYR N N 65 124.640 124.640 128.429 -3.789 19910 9404 1 18 . 1 1 65 65 TYR HA H 65 5.198 5.198 5.078 0.120 19910 9405 1 18 . 1 1 65 65 TYR C C 65 173.640 173.640 174.905 -1.265 19910 9406 1 18 . 1 1 65 65 TYR CA C 65 55.670 55.670 56.496 -0.826 19910 9407 1 18 . 1 1 65 65 TYR CB C 65 40.900 40.900 38.848 2.052 19910 9408 1 18 . 1 1 65 65 TYR H H 65 8.980 8.980 8.891 0.089 19910 9409 1 18 . 1 1 66 66 ASP N N 66 128.570 128.570 129.193 -0.623 19910 9410 1 18 . 1 1 66 66 ASP HA H 66 4.532 4.532 4.717 -0.185 19910 9411 1 18 . 1 1 66 66 ASP C C 66 175.340 175.340 175.557 -0.217 19910 9412 1 18 . 1 1 66 66 ASP CA C 66 51.800 51.800 53.808 -2.008 19910 9413 1 18 . 1 1 66 66 ASP CB C 66 41.510 41.510 41.795 -0.285 19910 9414 1 18 . 1 1 66 66 ASP H H 66 8.000 8.000 8.602 -0.602 19910 9415 1 18 . 1 1 67 67 ALA N N 67 127.520 127.520 128.463 -0.943 19910 9416 1 18 . 1 1 67 67 ALA HA H 67 3.597 3.597 3.689 -0.092 19910 9417 1 18 . 1 1 67 67 ALA C C 67 178.770 178.770 178.388 0.382 19910 9418 1 18 . 1 1 67 67 ALA CA C 67 53.850 53.850 55.186 -1.336 19910 9419 1 18 . 1 1 67 67 ALA CB C 67 18.640 18.640 18.796 -0.156 19910 9420 1 18 . 1 1 67 67 ALA H H 67 8.460 8.460 7.982 0.478 19910 9421 1 18 . 1 1 68 68 ASP N N 68 117.850 117.850 117.814 0.036 19910 9422 1 18 . 1 1 68 68 ASP HA H 68 4.340 4.340 4.348 -0.008 19910 9423 1 18 . 1 1 68 68 ASP C C 68 177.780 177.780 177.656 0.124 19910 9424 1 18 . 1 1 68 68 ASP CA C 68 56.760 56.760 56.735 0.025 19910 9425 1 18 . 1 1 68 68 ASP CB C 68 40.900 40.900 40.527 0.373 19910 9426 1 18 . 1 1 68 68 ASP H H 68 7.980 7.980 8.592 -0.612 19910 9427 1 18 . 1 1 69 69 LYS N N 69 115.790 115.790 116.927 -1.137 19910 9428 1 18 . 1 1 69 69 LYS HA H 69 4.119 4.119 4.218 -0.099 19910 9429 1 18 . 1 1 69 69 LYS C C 69 177.130 177.130 177.383 -0.253 19910 9430 1 18 . 1 1 69 69 LYS CA C 69 56.150 56.150 56.365 -0.215 19910 9431 1 18 . 1 1 69 69 LYS CB C 69 34.010 34.010 32.575 1.435 19910 9432 1 18 . 1 1 69 69 LYS H H 69 7.390 7.390 8.087 -0.697 19910 9433 1 18 . 1 1 70 70 GLY N N 70 110.040 110.040 108.512 1.528 19910 9434 1 18 . 1 1 70 70 GLY C C 70 174.040 174.040 173.648 0.392 19910 9435 1 18 . 1 1 70 70 GLY CA C 70 46.830 46.830 45.873 0.957 19910 9436 1 18 . 1 1 70 70 GLY H H 70 8.030 8.030 7.909 0.121 19910 9437 1 18 . 1 1 71 71 ILE N N 71 115.810 115.810 115.881 -0.071 19910 9438 1 18 . 1 1 71 71 ILE HA H 71 4.861 4.861 4.594 0.267 19910 9439 1 18 . 1 1 71 71 ILE C C 71 175.520 175.520 173.599 1.921 19910 9440 1 18 . 1 1 71 71 ILE CA C 71 59.420 59.420 59.080 0.340 19910 9441 1 18 . 1 1 71 71 ILE CB C 71 42.240 42.240 41.096 1.143 19910 9442 1 18 . 1 1 71 71 ILE H H 71 6.990 6.990 8.054 -1.064 19910 9443 1 18 . 1 1 72 72 PHE N N 72 132.630 132.630 124.824 7.806 19910 9444 1 18 . 1 1 72 72 PHE HA H 72 5.377 5.377 5.098 0.279 19910 9445 1 18 . 1 1 72 72 PHE C C 72 173.310 173.310 173.677 -0.367 19910 9446 1 18 . 1 1 72 72 PHE CA C 72 56.150 56.150 56.062 0.089 19910 9447 1 18 . 1 1 72 72 PHE CB C 72 41.630 41.630 41.694 -0.063 19910 9448 1 18 . 1 1 72 72 PHE H H 72 9.720 9.720 8.602 1.118 19910 9449 1 18 . 1 1 73 73 THR N N 73 124.190 124.190 124.239 -0.049 19910 9450 1 18 . 1 1 73 73 THR HA H 73 5.047 5.047 4.268 0.779 19910 9451 1 18 . 1 1 73 73 THR C C 73 172.660 172.660 171.946 0.714 19910 9452 1 18 . 1 1 73 73 THR CA C 73 61.480 61.480 61.370 0.110 19910 9453 1 18 . 1 1 73 73 THR CB C 73 69.950 69.950 70.558 -0.608 19910 9454 1 18 . 1 1 73 73 THR H H 73 8.610 8.610 8.398 0.212 19910 9455 1 18 . 1 1 74 74 ILE N N 74 125.780 125.780 125.889 -0.109 19910 9456 1 18 . 1 1 74 74 ILE HA H 74 4.557 4.557 4.772 -0.215 19910 9457 1 18 . 1 1 74 74 ILE C C 74 171.480 171.480 173.232 -1.752 19910 9458 1 18 . 1 1 74 74 ILE CA C 74 59.060 59.060 59.389 -0.329 19910 9459 1 18 . 1 1 74 74 ILE CB C 74 41.510 41.510 41.663 -0.153 19910 9460 1 18 . 1 1 74 74 ILE H H 74 8.850 8.850 8.053 0.797 19910 9461 1 18 . 1 1 75 75 ARG N N 75 127.330 127.330 127.655 -0.325 19910 9462 1 18 . 1 1 75 75 ARG HA H 75 4.859 4.859 4.516 0.343 19910 9463 1 18 . 1 1 75 75 ARG C C 75 174.790 174.790 174.823 -0.033 19910 9464 1 18 . 1 1 75 75 ARG CA C 75 54.460 54.460 54.607 -0.147 19910 9465 1 18 . 1 1 75 75 ARG CB C 75 31.460 31.460 31.500 -0.040 19910 9466 1 18 . 1 1 75 75 ARG H H 75 8.320 8.320 8.521 -0.201 19910 9467 1 18 . 1 1 76 76 LEU N N 76 125.120 125.120 122.572 2.548 19910 9468 1 18 . 1 1 76 76 LEU HA H 76 4.819 4.819 4.681 0.138 19910 9469 1 18 . 1 1 76 76 LEU CA C 76 50.530 50.530 51.587 -1.057 19910 9470 1 18 . 1 1 76 76 LEU CB C 76 43.070 43.070 44.031 -0.961 19910 9471 1 18 . 1 1 76 76 LEU H H 76 9.300 9.300 7.976 1.324 19910 9472 1 18 . 1 1 77 77 PRO HA H 77 4.114 4.114 4.265 -0.151 19910 9473 1 18 . 1 1 77 77 PRO C C 77 176.430 176.430 176.515 -0.085 19910 9474 1 18 . 1 1 77 77 PRO CA C 77 62.080 62.080 62.579 -0.499 19910 9475 1 18 . 1 1 77 77 PRO CB C 77 31.220 31.220 32.240 -1.020 19910 9476 1 18 . 1 1 78 78 LYS N N 78 122.800 122.800 121.438 1.362 19910 9477 1 18 . 1 1 78 78 LYS HA H 78 4.062 4.062 4.432 -0.370 19910 9478 1 18 . 1 1 78 78 LYS C C 78 176.590 176.590 176.733 -0.143 19910 9479 1 18 . 1 1 78 78 LYS CA C 78 57.730 57.730 54.315 3.415 19910 9480 1 18 . 1 1 78 78 LYS CB C 78 32.800 32.800 33.264 -0.464 19910 9481 1 18 . 1 1 78 78 LYS H H 78 7.790 7.790 7.986 -0.196 19910 9482 1 18 . 1 1 79 79 GLU N N 79 124.540 124.540 121.309 3.231 19910 9483 1 18 . 1 1 79 79 GLU HA H 79 3.689 3.689 4.264 -0.575 19910 9484 1 18 . 1 1 79 79 GLU C C 79 176.300 176.300 176.057 0.243 19910 9485 1 18 . 1 1 79 79 GLU CA C 79 59.420 59.420 57.530 1.890 19910 9486 1 18 . 1 1 79 79 GLU CB C 79 30.500 30.500 30.312 0.188 19910 9487 1 18 . 1 1 79 79 GLU H H 79 8.520 8.520 8.598 -0.078 19910 9488 1 18 . 1 1 80 80 THR N N 80 115.960 115.960 115.636 0.324 19910 9489 1 18 . 1 1 80 80 THR HA H 80 4.485 4.485 4.739 -0.254 19910 9490 1 18 . 1 1 80 80 THR CA C 80 59.120 59.120 60.025 -0.905 19910 9491 1 18 . 1 1 80 80 THR CB C 80 69.330 69.330 71.032 -1.702 19910 9492 1 18 . 1 1 80 80 THR H H 80 9.070 9.070 7.850 1.220 19910 9493 1 18 . 1 1 81 81 PRO HA H 81 4.070 4.070 4.308 -0.238 19910 9494 1 18 . 1 1 81 81 PRO C C 81 177.860 177.860 178.311 -0.451 19910 9495 1 18 . 1 1 81 81 PRO CA C 81 63.900 63.900 62.807 1.093 19910 9496 1 18 . 1 1 81 81 PRO CB C 81 31.460 31.460 32.096 -0.636 19910 9497 1 18 . 1 1 82 82 GLY N N 82 113.580 113.580 110.482 3.098 19910 9498 1 18 . 1 1 82 82 GLY C C 82 174.870 174.870 174.259 0.611 19910 9499 1 18 . 1 1 82 82 GLY CA C 82 45.140 45.140 45.102 0.037 19910 9500 1 18 . 1 1 82 82 GLY H H 82 9.150 9.150 8.472 0.678 19910 9501 1 18 . 1 1 83 83 GLN N N 83 122.820 122.820 120.489 2.331 19910 9502 1 18 . 1 1 83 83 GLN HA H 83 4.159 4.159 4.281 -0.122 19910 9503 1 18 . 1 1 83 83 GLN C C 83 175.180 175.180 174.642 0.538 19910 9504 1 18 . 1 1 83 83 GLN CA C 83 56.390 56.390 55.700 0.690 19910 9505 1 18 . 1 1 83 83 GLN CB C 83 29.410 29.410 29.818 -0.408 19910 9506 1 18 . 1 1 83 83 GLN H H 83 7.960 7.960 7.511 0.449 19910 9507 1 18 . 1 1 84 84 HIS N N 84 131.340 131.340 124.997 6.343 19910 9508 1 18 . 1 1 84 84 HIS HA H 84 4.299 4.299 4.839 -0.540 19910 9509 1 18 . 1 1 84 84 HIS C C 84 175.300 175.300 174.068 1.232 19910 9510 1 18 . 1 1 84 84 HIS CA C 84 56.640 56.640 53.944 2.696 19910 9511 1 18 . 1 1 84 84 HIS CB C 84 30.980 30.980 32.207 -1.227 19910 9512 1 18 . 1 1 84 84 HIS H H 84 9.220 9.220 8.580 0.640 19910 9513 1 18 . 1 1 85 85 PHE N N 85 130.320 130.320 127.703 2.617 19910 9514 1 18 . 1 1 85 85 PHE HA H 85 4.722 4.722 4.470 0.252 19910 9515 1 18 . 1 1 85 85 PHE C C 85 174.890 174.890 175.171 -0.281 19910 9516 1 18 . 1 1 85 85 PHE CA C 85 54.580 54.580 56.014 -1.435 19910 9517 1 18 . 1 1 85 85 PHE CB C 85 36.430 36.430 37.289 -0.859 19910 9518 1 18 . 1 1 85 85 PHE H H 85 9.130 9.130 9.202 -0.072 19910 9519 1 18 . 1 1 86 86 GLU N N 86 126.010 126.010 123.718 2.292 19910 9520 1 18 . 1 1 86 86 GLU HA H 86 4.199 4.199 3.828 0.371 19910 9521 1 18 . 1 1 86 86 GLU C C 86 177.000 177.000 177.515 -0.515 19910 9522 1 18 . 1 1 86 86 GLU CA C 86 55.910 55.910 57.223 -1.313 19910 9523 1 18 . 1 1 86 86 GLU CB C 86 30.620 30.620 30.471 0.149 19910 9524 1 18 . 1 1 86 86 GLU H H 86 8.900 8.900 7.742 1.158 19910 9525 1 18 . 1 1 87 87 GLY N N 87 108.540 108.540 109.654 -1.114 19910 9526 1 18 . 1 1 87 87 GLY C C 87 177.370 177.370 175.347 2.023 19910 9527 1 18 . 1 1 87 87 GLY CA C 87 46.590 46.590 46.138 0.452 19910 9528 1 18 . 1 1 87 87 GLY H H 87 8.610 8.610 8.763 -0.153 19910 9529 1 18 . 1 1 88 88 LEU N N 88 119.830 119.830 119.619 0.211 19910 9530 1 18 . 1 1 88 88 LEU HA H 88 3.775 3.775 4.071 -0.296 19910 9531 1 18 . 1 1 88 88 LEU C C 88 177.500 177.500 177.743 -0.243 19910 9532 1 18 . 1 1 88 88 LEU CA C 88 57.850 57.850 57.440 0.410 19910 9533 1 18 . 1 1 88 88 LEU CB C 88 40.780 40.780 42.072 -1.292 19910 9534 1 18 . 1 1 88 88 LEU H H 88 8.370 8.370 7.982 0.388 19910 9535 1 18 . 1 1 89 89 ASN N N 89 112.390 112.390 115.350 -2.960 19910 9536 1 18 . 1 1 89 89 ASN HA H 89 4.524 4.524 4.673 -0.149 19910 9537 1 18 . 1 1 89 89 ASN C C 89 175.440 175.440 175.319 0.121 19910 9538 1 18 . 1 1 89 89 ASN CA C 89 54.340 54.340 53.958 0.382 19910 9539 1 18 . 1 1 89 89 ASN CB C 89 37.030 37.030 38.243 -1.213 19910 9540 1 18 . 1 1 89 89 ASN H H 89 8.470 8.470 8.453 0.017 19910 9541 1 18 . 1 1 90 90 MET N N 90 117.460 117.460 117.315 0.145 19910 9542 1 18 . 1 1 90 90 MET HA H 90 4.626 4.626 4.554 0.072 19910 9543 1 18 . 1 1 90 90 MET C C 90 176.040 176.040 176.862 -0.822 19910 9544 1 18 . 1 1 90 90 MET CA C 90 54.340 54.340 55.818 -1.478 19910 9545 1 18 . 1 1 90 90 MET CB C 90 32.550 32.550 33.561 -1.011 19910 9546 1 18 . 1 1 90 90 MET H H 90 7.460 7.460 7.294 0.166 19910 9547 1 18 . 1 1 91 91 LEU N N 91 121.330 121.330 119.857 1.473 19910 9548 1 18 . 1 1 91 91 LEU HA H 91 4.277 4.277 4.210 0.067 19910 9549 1 18 . 1 1 91 91 LEU C C 91 176.870 176.870 176.194 0.676 19910 9550 1 18 . 1 1 91 91 LEU CA C 91 56.390 56.390 56.316 0.073 19910 9551 1 18 . 1 1 91 91 LEU CB C 91 42.480 42.480 42.271 0.209 19910 9552 1 18 . 1 1 91 91 LEU H H 91 7.280 7.280 8.060 -0.780 19910 9553 1 18 . 1 1 92 92 THR N N 92 113.970 113.970 112.009 1.961 19910 9554 1 18 . 1 1 92 92 THR HA H 92 4.582 4.582 4.528 0.054 19910 9555 1 18 . 1 1 92 92 THR C C 92 173.180 173.180 173.364 -0.184 19910 9556 1 18 . 1 1 92 92 THR CA C 92 60.390 60.390 60.166 0.224 19910 9557 1 18 . 1 1 92 92 THR CB C 92 71.160 71.160 70.290 0.870 19910 9558 1 18 . 1 1 92 92 THR H H 92 8.110 8.110 8.000 0.110 19910 9559 1 18 . 1 1 93 93 ALA N N 93 124.650 124.650 124.127 0.523 19910 9560 1 18 . 1 1 93 93 ALA HA H 93 4.245 4.245 4.834 -0.589 19910 9561 1 18 . 1 1 93 93 ALA C C 93 177.650 177.650 176.693 0.957 19910 9562 1 18 . 1 1 93 93 ALA CA C 93 52.640 52.640 51.533 1.107 19910 9563 1 18 . 1 1 93 93 ALA CB C 93 19.670 19.670 18.960 0.710 19910 9564 1 18 . 1 1 93 93 ALA H H 93 8.430 8.430 8.412 0.018 19910 9565 1 18 . 1 1 94 94 LEU N N 94 123.150 123.150 122.299 0.851 19910 9566 1 18 . 1 1 94 94 LEU HA H 94 4.450 4.450 4.819 -0.369 19910 9567 1 18 . 1 1 94 94 LEU C C 94 177.420 177.420 176.174 1.246 19910 9568 1 18 . 1 1 94 94 LEU CA C 94 54.940 54.940 54.281 0.659 19910 9569 1 18 . 1 1 94 94 LEU CB C 94 42.480 42.480 42.944 -0.464 19910 9570 1 18 . 1 1 94 94 LEU H H 94 8.450 8.450 8.358 0.092 19910 9571 1 18 . 1 1 95 95 LEU N N 95 124.390 124.390 124.340 0.050 19910 9572 1 18 . 1 1 95 95 LEU HA H 95 4.409 4.409 4.656 -0.247 19910 9573 1 18 . 1 1 95 95 LEU C C 95 175.990 175.990 177.228 -1.238 19910 9574 1 18 . 1 1 95 95 LEU CA C 95 55.060 55.060 54.625 0.435 19910 9575 1 18 . 1 1 95 95 LEU CB C 95 42.360 42.360 42.421 -0.061 19910 9576 1 18 . 1 1 95 95 LEU H H 95 8.380 8.380 8.482 -0.102 19910 9577 1 19 . 1 1 2 2 LEU N N 2 123.170 123.170 122.624 0.546 19910 9578 1 19 . 1 1 2 2 LEU HA H 2 4.588 4.588 4.723 -0.135 19910 9579 1 19 . 1 1 2 2 LEU C C 2 176.260 176.260 176.579 -0.319 19910 9580 1 19 . 1 1 2 2 LEU CA C 2 53.730 53.730 54.596 -0.866 19910 9581 1 19 . 1 1 2 2 LEU CB C 2 44.290 44.290 42.491 1.799 19910 9582 1 19 . 1 1 2 2 LEU H H 2 8.690 8.690 8.329 0.361 19910 9583 1 19 . 1 1 3 3 THR N N 3 120.960 120.960 119.930 1.030 19910 9584 1 19 . 1 1 3 3 THR HA H 3 5.193 5.193 4.539 0.654 19910 9585 1 19 . 1 1 3 3 THR CA C 3 59.990 59.990 60.762 -0.772 19910 9586 1 19 . 1 1 3 3 THR CB C 3 69.950 69.950 69.735 0.215 19910 9587 1 19 . 1 1 3 3 THR H H 3 8.850 8.850 8.424 0.426 19910 9588 1 19 . 1 1 4 4 PRO HA H 4 4.718 4.718 4.373 0.345 19910 9589 1 19 . 1 1 4 4 PRO C C 4 175.870 175.870 176.543 -0.673 19910 9590 1 19 . 1 1 4 4 PRO CA C 4 62.080 62.080 62.893 -0.813 19910 9591 1 19 . 1 1 4 4 PRO CB C 4 31.950 31.950 32.174 -0.224 19910 9592 1 19 . 1 1 5 5 ALA N N 5 122.560 122.560 123.304 -0.744 19910 9593 1 19 . 1 1 5 5 ALA HA H 5 4.348 4.348 4.254 0.094 19910 9594 1 19 . 1 1 5 5 ALA C C 5 176.360 176.360 176.547 -0.187 19910 9595 1 19 . 1 1 5 5 ALA CA C 5 52.280 52.280 51.267 1.013 19910 9596 1 19 . 1 1 5 5 ALA CB C 5 18.880 18.880 17.325 1.556 19910 9597 1 19 . 1 1 5 5 ALA H H 5 8.400 8.400 8.182 0.218 19910 9598 1 19 . 1 1 6 6 PHE N N 6 115.160 115.160 118.107 -2.947 19910 9599 1 19 . 1 1 6 6 PHE HA H 6 5.537 5.537 4.417 1.120 19910 9600 1 19 . 1 1 6 6 PHE C C 6 172.590 172.590 175.312 -2.722 19910 9601 1 19 . 1 1 6 6 PHE CA C 6 55.430 55.430 57.547 -2.117 19910 9602 1 19 . 1 1 6 6 PHE CB C 6 42.240 42.240 39.662 2.578 19910 9603 1 19 . 1 1 6 6 PHE H H 6 7.740 7.740 7.733 0.007 19910 9604 1 19 . 1 1 7 7 ASP N N 7 118.960 118.960 119.800 -0.840 19910 9605 1 19 . 1 1 7 7 ASP HA H 7 4.813 4.813 4.742 0.071 19910 9606 1 19 . 1 1 7 7 ASP C C 7 174.530 174.530 173.950 0.580 19910 9607 1 19 . 1 1 7 7 ASP CA C 7 53.370 53.370 53.620 -0.249 19910 9608 1 19 . 1 1 7 7 ASP CB C 7 45.380 45.380 44.388 0.992 19910 9609 1 19 . 1 1 7 7 ASP H H 7 8.910 8.910 8.461 0.449 19910 9610 1 19 . 1 1 8 8 LEU N N 8 123.470 123.470 122.606 0.864 19910 9611 1 19 . 1 1 8 8 LEU HA H 8 5.284 5.284 4.597 0.687 19910 9612 1 19 . 1 1 8 8 LEU C C 8 175.420 175.420 176.103 -0.683 19910 9613 1 19 . 1 1 8 8 LEU CA C 8 53.850 53.850 53.982 -0.132 19910 9614 1 19 . 1 1 8 8 LEU CB C 8 45.620 45.620 43.893 1.727 19910 9615 1 19 . 1 1 8 8 LEU H H 8 8.750 8.750 8.337 0.413 19910 9616 1 19 . 1 1 9 9 SER N N 9 115.920 115.920 118.745 -2.825 19910 9617 1 19 . 1 1 9 9 SER HA H 9 4.486 4.486 4.747 -0.261 19910 9618 1 19 . 1 1 9 9 SER C C 9 171.680 171.680 172.386 -0.706 19910 9619 1 19 . 1 1 9 9 SER CA C 9 57.000 57.000 57.409 -0.409 19910 9620 1 19 . 1 1 9 9 SER CB C 9 65.590 65.590 64.953 0.637 19910 9621 1 19 . 1 1 9 9 SER H H 9 8.860 8.860 8.606 0.254 19910 9622 1 19 . 1 1 10 10 GLN N N 10 115.230 115.230 123.350 -8.120 19910 9623 1 19 . 1 1 10 10 GLN HA H 10 5.375 5.375 4.520 0.855 19910 9624 1 19 . 1 1 10 10 GLN C C 10 172.130 172.130 173.441 -1.311 19910 9625 1 19 . 1 1 10 10 GLN CA C 10 54.270 54.270 54.315 -0.044 19910 9626 1 19 . 1 1 10 10 GLN CB C 10 32.990 32.990 31.460 1.530 19910 9627 1 19 . 1 1 10 10 GLN H H 10 8.800 8.800 8.341 0.459 19910 9628 1 19 . 1 1 11 11 ASP N N 11 124.270 124.270 123.880 0.390 19910 9629 1 19 . 1 1 11 11 ASP HA H 11 4.768 4.768 5.071 -0.303 19910 9630 1 19 . 1 1 11 11 ASP CA C 11 52.530 52.530 50.999 1.530 19910 9631 1 19 . 1 1 11 11 ASP CB C 11 42.200 42.200 43.058 -0.858 19910 9632 1 19 . 1 1 11 11 ASP H H 11 8.680 8.680 8.785 -0.105 19910 9633 1 19 . 1 1 12 12 PRO HA H 12 4.050 4.050 4.458 -0.408 19910 9634 1 19 . 1 1 12 12 PRO C C 12 175.290 175.290 175.770 -0.480 19910 9635 1 19 . 1 1 12 12 PRO CA C 12 66.920 66.920 64.377 2.543 19910 9636 1 19 . 1 1 12 12 PRO CB C 12 31.950 31.950 32.041 -0.090 19910 9637 1 19 . 1 1 13 13 ASP N N 13 110.550 110.550 113.376 -2.826 19910 9638 1 19 . 1 1 13 13 ASP HA H 13 4.632 4.632 4.561 0.071 19910 9639 1 19 . 1 1 13 13 ASP C C 13 176.480 176.480 174.178 2.302 19910 9640 1 19 . 1 1 13 13 ASP CA C 13 54.940 54.940 53.697 1.244 19910 9641 1 19 . 1 1 13 13 ASP CB C 13 44.410 44.410 41.925 2.485 19910 9642 1 19 . 1 1 13 13 ASP H H 13 7.990 7.990 8.372 -0.382 19910 9643 1 19 . 1 1 14 14 PHE N N 14 118.880 118.880 115.716 3.164 19910 9644 1 19 . 1 1 14 14 PHE HA H 14 5.049 5.049 4.918 0.131 19910 9645 1 19 . 1 1 14 14 PHE C C 14 174.690 174.690 173.034 1.656 19910 9646 1 19 . 1 1 14 14 PHE CA C 14 57.600 57.600 57.268 0.332 19910 9647 1 19 . 1 1 14 14 PHE CB C 14 42.960 42.960 42.937 0.023 19910 9648 1 19 . 1 1 14 14 PHE H H 14 8.390 8.390 7.872 0.518 19910 9649 1 19 . 1 1 15 15 LEU N N 15 123.990 123.990 121.921 2.069 19910 9650 1 19 . 1 1 15 15 LEU HA H 15 4.613 4.613 4.709 -0.096 19910 9651 1 19 . 1 1 15 15 LEU C C 15 174.780 174.780 174.960 -0.180 19910 9652 1 19 . 1 1 15 15 LEU CA C 15 53.250 53.250 54.114 -0.864 19910 9653 1 19 . 1 1 15 15 LEU CB C 15 45.020 45.020 44.146 0.874 19910 9654 1 19 . 1 1 15 15 LEU H H 15 9.200 9.200 8.915 0.285 19910 9655 1 19 . 1 1 16 16 THR N N 16 122.960 122.960 124.000 -1.040 19910 9656 1 19 . 1 1 16 16 THR HA H 16 4.849 4.849 5.114 -0.265 19910 9657 1 19 . 1 1 16 16 THR C C 16 172.810 172.810 173.881 -1.071 19910 9658 1 19 . 1 1 16 16 THR CA C 16 62.690 62.690 61.273 1.417 19910 9659 1 19 . 1 1 16 16 THR CB C 16 69.340 69.340 70.426 -1.086 19910 9660 1 19 . 1 1 16 16 THR H H 16 9.000 9.000 8.645 0.355 19910 9661 1 19 . 1 1 17 17 ILE N N 17 126.630 126.630 123.005 3.625 19910 9662 1 19 . 1 1 17 17 ILE HA H 17 4.439 4.439 4.319 0.120 19910 9663 1 19 . 1 1 17 17 ILE C C 17 172.580 172.580 173.751 -1.171 19910 9664 1 19 . 1 1 17 17 ILE CA C 17 60.030 60.030 59.336 0.694 19910 9665 1 19 . 1 1 17 17 ILE CB C 17 39.450 39.450 41.405 -1.955 19910 9666 1 19 . 1 1 17 17 ILE H H 17 8.680 8.680 8.254 0.426 19910 9667 1 19 . 1 1 18 18 ALA N N 18 130.190 130.190 125.710 4.480 19910 9668 1 19 . 1 1 18 18 ALA HA H 18 5.215 5.215 5.589 -0.374 19910 9669 1 19 . 1 1 18 18 ALA C C 18 176.660 176.660 176.004 0.656 19910 9670 1 19 . 1 1 18 18 ALA CA C 18 49.980 49.980 49.932 0.048 19910 9671 1 19 . 1 1 18 18 ALA CB C 18 20.570 20.570 21.779 -1.209 19910 9672 1 19 . 1 1 18 18 ALA H H 18 8.490 8.490 8.369 0.121 19910 9673 1 19 . 1 1 19 19 ILE N N 19 124.920 124.920 123.112 1.808 19910 9674 1 19 . 1 1 19 19 ILE HA H 19 4.307 4.307 4.425 -0.118 19910 9675 1 19 . 1 1 19 19 ILE C C 19 174.710 174.710 174.678 0.032 19910 9676 1 19 . 1 1 19 19 ILE CA C 19 60.990 60.990 59.977 1.013 19910 9677 1 19 . 1 1 19 19 ILE CB C 19 40.900 40.900 41.057 -0.157 19910 9678 1 19 . 1 1 19 19 ILE H H 19 9.590 9.590 8.476 1.114 19910 9679 1 19 . 1 1 20 20 ARG N N 20 128.960 128.960 129.647 -0.687 19910 9680 1 19 . 1 1 20 20 ARG HA H 20 4.642 4.642 4.438 0.204 19910 9681 1 19 . 1 1 20 20 ARG C C 20 174.890 174.890 174.878 0.012 19910 9682 1 19 . 1 1 20 20 ARG CA C 20 56.030 56.030 56.146 -0.116 19910 9683 1 19 . 1 1 20 20 ARG CB C 20 29.530 29.530 30.586 -1.056 19910 9684 1 19 . 1 1 20 20 ARG H H 20 8.600 8.600 8.647 -0.047 19910 9685 1 19 . 1 1 21 21 VAL N N 21 120.400 120.400 122.563 -2.163 19910 9686 1 19 . 1 1 21 21 VAL HA H 21 4.010 4.010 4.433 -0.423 19910 9687 1 19 . 1 1 21 21 VAL C C 21 174.950 174.950 175.010 -0.060 19910 9688 1 19 . 1 1 21 21 VAL CA C 21 59.420 59.420 60.838 -1.418 19910 9689 1 19 . 1 1 21 21 VAL CB C 21 33.280 33.280 35.280 -2.000 19910 9690 1 19 . 1 1 21 21 VAL H H 21 8.020 8.020 8.288 -0.268 19910 9691 1 19 . 1 1 22 22 SER N N 22 118.050 118.050 120.966 -2.916 19910 9692 1 19 . 1 1 22 22 SER HA H 22 4.540 4.540 4.752 -0.212 19910 9693 1 19 . 1 1 22 22 SER C C 22 174.110 174.110 174.818 -0.708 19910 9694 1 19 . 1 1 22 22 SER CA C 22 59.540 59.540 58.700 0.840 19910 9695 1 19 . 1 1 22 22 SER CB C 22 63.600 63.600 64.440 -0.840 19910 9696 1 19 . 1 1 22 22 SER H H 22 7.770 7.770 8.748 -0.978 19910 9697 1 19 . 1 1 23 23 TYR N N 23 120.870 120.870 120.636 0.234 19910 9698 1 19 . 1 1 23 23 TYR HA H 23 4.493 4.493 4.562 -0.069 19910 9699 1 19 . 1 1 23 23 TYR C C 23 175.310 175.310 175.788 -0.478 19910 9700 1 19 . 1 1 23 23 TYR CA C 23 58.210 58.210 58.695 -0.485 19910 9701 1 19 . 1 1 23 23 TYR CB C 23 37.880 37.880 38.798 -0.918 19910 9702 1 19 . 1 1 23 23 TYR H H 23 8.300 8.300 8.152 0.148 19910 9703 1 19 . 1 1 24 24 ALA N N 24 122.670 122.670 121.707 0.963 19910 9704 1 19 . 1 1 24 24 ALA HA H 24 4.303 4.303 4.136 0.167 19910 9705 1 19 . 1 1 24 24 ALA C C 24 177.160 177.160 178.097 -0.937 19910 9706 1 19 . 1 1 24 24 ALA CA C 24 52.520 52.520 52.534 -0.014 19910 9707 1 19 . 1 1 24 24 ALA CB C 24 19.730 19.730 18.006 1.724 19910 9708 1 19 . 1 1 24 24 ALA H H 24 7.910 7.910 8.309 -0.399 19910 9709 1 19 . 1 1 25 25 ARG N N 25 119.060 119.060 120.253 -1.193 19910 9710 1 19 . 1 1 25 25 ARG HA H 25 4.346 4.346 4.059 0.287 19910 9711 1 19 . 1 1 25 25 ARG C C 25 175.830 175.830 176.770 -0.940 19910 9712 1 19 . 1 1 25 25 ARG CA C 25 55.550 55.550 58.096 -2.546 19910 9713 1 19 . 1 1 25 25 ARG CB C 25 30.500 30.500 30.967 -0.467 19910 9714 1 19 . 1 1 25 25 ARG H H 25 8.220 8.220 8.509 -0.289 19910 9715 1 19 . 1 1 26 26 VAL N N 26 118.660 118.660 116.869 1.791 19910 9716 1 19 . 1 1 26 26 VAL HA H 26 3.454 3.454 3.803 -0.349 19910 9717 1 19 . 1 1 26 26 VAL C C 26 175.700 175.700 175.629 0.071 19910 9718 1 19 . 1 1 26 26 VAL CA C 26 61.960 61.960 62.792 -0.832 19910 9719 1 19 . 1 1 26 26 VAL CB C 26 32.800 32.800 32.431 0.369 19910 9720 1 19 . 1 1 26 26 VAL H H 26 7.650 7.650 7.841 -0.191 19910 9721 1 19 . 1 1 27 27 SER N N 27 116.090 116.090 119.416 -3.326 19910 9722 1 19 . 1 1 27 27 SER HA H 27 4.183 4.183 4.188 -0.005 19910 9723 1 19 . 1 1 27 27 SER C C 27 173.750 173.750 174.963 -1.213 19910 9724 1 19 . 1 1 27 27 SER CA C 27 58.570 58.570 60.170 -1.600 19910 9725 1 19 . 1 1 27 27 SER CB C 27 63.530 63.530 63.753 -0.223 19910 9726 1 19 . 1 1 27 27 SER H H 27 8.180 8.180 8.320 -0.140 19910 9727 1 19 . 1 1 28 28 GLU N N 28 120.070 120.070 120.232 -0.162 19910 9728 1 19 . 1 1 28 28 GLU HA H 28 4.203 4.203 4.181 0.022 19910 9729 1 19 . 1 1 28 28 GLU C C 28 174.790 174.790 175.164 -0.374 19910 9730 1 19 . 1 1 28 28 GLU CA C 28 55.550 55.550 55.431 0.119 19910 9731 1 19 . 1 1 28 28 GLU CB C 28 30.620 30.620 31.040 -0.420 19910 9732 1 19 . 1 1 28 28 GLU H H 28 7.400 7.400 7.778 -0.378 19910 9733 1 19 . 1 1 29 29 PHE N N 29 120.340 120.340 121.359 -1.019 19910 9734 1 19 . 1 1 29 29 PHE HA H 29 4.487 4.487 4.585 -0.098 19910 9735 1 19 . 1 1 29 29 PHE C C 29 174.580 174.580 175.969 -1.389 19910 9736 1 19 . 1 1 29 29 PHE CA C 29 55.790 55.790 55.000 0.790 19910 9737 1 19 . 1 1 29 29 PHE CB C 29 39.690 39.690 39.663 0.027 19910 9738 1 19 . 1 1 29 29 PHE H H 29 7.820 7.820 8.113 -0.293 19910 9739 1 19 . 1 1 30 30 ASP N N 30 123.670 123.670 121.901 1.769 19910 9740 1 19 . 1 1 30 30 ASP HA H 30 4.817 4.817 4.873 -0.056 19910 9741 1 19 . 1 1 30 30 ASP C C 30 174.040 174.040 174.315 -0.275 19910 9742 1 19 . 1 1 30 30 ASP CA C 30 53.850 53.850 53.601 0.249 19910 9743 1 19 . 1 1 30 30 ASP CB C 30 43.450 43.450 42.619 0.831 19910 9744 1 19 . 1 1 30 30 ASP H H 30 8.420 8.420 8.281 0.139 19910 9745 1 19 . 1 1 31 31 VAL N N 31 123.010 123.010 123.580 -0.570 19910 9746 1 19 . 1 1 31 31 VAL HA H 31 4.768 4.768 4.949 -0.181 19910 9747 1 19 . 1 1 31 31 VAL C C 31 173.980 173.980 175.210 -1.230 19910 9748 1 19 . 1 1 31 31 VAL CA C 31 60.510 60.510 60.774 -0.264 19910 9749 1 19 . 1 1 31 31 VAL CB C 31 34.730 34.730 33.401 1.329 19910 9750 1 19 . 1 1 31 31 VAL H H 31 8.270 8.270 8.497 -0.227 19910 9751 1 19 . 1 1 32 32 TYR N N 32 127.340 127.340 127.623 -0.283 19910 9752 1 19 . 1 1 32 32 TYR HA H 32 4.624 4.624 4.895 -0.271 19910 9753 1 19 . 1 1 32 32 TYR C C 32 172.990 172.990 174.486 -1.496 19910 9754 1 19 . 1 1 32 32 TYR CA C 32 56.520 56.520 55.551 0.969 19910 9755 1 19 . 1 1 32 32 TYR CB C 32 41.870 41.870 39.415 2.455 19910 9756 1 19 . 1 1 32 32 TYR H H 32 8.920 8.920 8.811 0.109 19910 9757 1 19 . 1 1 33 33 PHE N N 33 121.160 121.160 121.165 -0.005 19910 9758 1 19 . 1 1 33 33 PHE HA H 33 5.106 5.106 5.958 -0.852 19910 9759 1 19 . 1 1 33 33 PHE C C 33 173.100 173.100 174.757 -1.657 19910 9760 1 19 . 1 1 33 33 PHE CA C 33 55.310 55.310 55.609 -0.299 19910 9761 1 19 . 1 1 33 33 PHE CB C 33 40.420 40.420 42.031 -1.611 19910 9762 1 19 . 1 1 33 33 PHE H H 33 7.510 7.510 8.702 -1.192 19910 9763 1 19 . 1 1 34 34 GLU N N 34 120.460 120.460 125.596 -5.136 19910 9764 1 19 . 1 1 34 34 GLU HA H 34 4.099 4.099 4.646 -0.547 19910 9765 1 19 . 1 1 34 34 GLU C C 34 175.700 175.700 176.509 -0.809 19910 9766 1 19 . 1 1 34 34 GLU CA C 34 56.640 56.640 55.797 0.843 19910 9767 1 19 . 1 1 34 34 GLU CB C 34 31.340 31.340 32.896 -1.556 19910 9768 1 19 . 1 1 34 34 GLU H H 34 8.190 8.190 8.516 -0.326 19910 9769 1 19 . 1 1 35 35 GLY N N 35 117.400 117.400 116.395 1.005 19910 9770 1 19 . 1 1 35 35 GLY C C 35 173.120 173.120 174.481 -1.361 19910 9771 1 19 . 1 1 35 35 GLY CA C 35 47.680 47.680 47.535 0.145 19910 9772 1 19 . 1 1 35 35 GLY H H 35 9.240 9.240 9.210 0.030 19910 9773 1 19 . 1 1 36 36 SER N N 36 122.510 122.510 115.335 7.175 19910 9774 1 19 . 1 1 36 36 SER HA H 36 4.795 4.795 4.695 0.100 19910 9775 1 19 . 1 1 36 36 SER C C 36 172.680 172.680 172.601 0.079 19910 9776 1 19 . 1 1 36 36 SER CA C 36 57.360 57.360 58.124 -0.764 19910 9777 1 19 . 1 1 36 36 SER CB C 36 64.500 64.500 65.031 -0.531 19910 9778 1 19 . 1 1 36 36 SER H H 36 8.930 8.930 8.590 0.340 19910 9779 1 19 . 1 1 37 37 ASP N N 37 123.120 123.120 124.417 -1.297 19910 9780 1 19 . 1 1 37 37 ASP HA H 37 5.192 5.192 5.131 0.061 19910 9781 1 19 . 1 1 37 37 ASP C C 37 174.170 174.170 174.124 0.046 19910 9782 1 19 . 1 1 37 37 ASP CA C 37 54.340 54.340 53.763 0.577 19910 9783 1 19 . 1 1 37 37 ASP CB C 37 43.810 43.810 42.560 1.250 19910 9784 1 19 . 1 1 37 37 ASP H H 37 8.600 8.600 8.213 0.387 19910 9785 1 19 . 1 1 38 38 PHE N N 38 122.850 122.850 127.851 -5.001 19910 9786 1 19 . 1 1 38 38 PHE HA H 38 5.053 5.053 5.654 -0.601 19910 9787 1 19 . 1 1 38 38 PHE C C 38 172.810 172.810 173.442 -0.632 19910 9788 1 19 . 1 1 38 38 PHE CA C 38 57.000 57.000 56.211 0.789 19910 9789 1 19 . 1 1 38 38 PHE CB C 38 43.080 43.080 41.828 1.252 19910 9790 1 19 . 1 1 38 38 PHE H H 38 8.340 8.340 8.774 -0.434 19910 9791 1 19 . 1 1 39 39 LYS N N 39 126.630 126.630 128.834 -2.204 19910 9792 1 19 . 1 1 39 39 LYS HA H 39 4.816 4.816 4.889 -0.073 19910 9793 1 19 . 1 1 39 39 LYS C C 39 172.540 172.540 174.415 -1.875 19910 9794 1 19 . 1 1 39 39 LYS CA C 39 54.890 54.890 54.697 0.193 19910 9795 1 19 . 1 1 39 39 LYS CB C 39 36.790 36.790 35.488 1.302 19910 9796 1 19 . 1 1 39 39 LYS H H 39 8.690 8.690 8.868 -0.178 19910 9797 1 19 . 1 1 40 40 PHE N N 40 123.910 123.910 125.171 -1.261 19910 9798 1 19 . 1 1 40 40 PHE HA H 40 4.923 4.923 5.482 -0.559 19910 9799 1 19 . 1 1 40 40 PHE C C 40 171.900 171.900 173.199 -1.299 19910 9800 1 19 . 1 1 40 40 PHE CA C 40 55.910 55.910 55.293 0.617 19910 9801 1 19 . 1 1 40 40 PHE CB C 40 43.450 43.450 42.798 0.652 19910 9802 1 19 . 1 1 40 40 PHE H H 40 8.750 8.750 8.538 0.212 19910 9803 1 19 . 1 1 41 41 TYR N N 41 126.490 126.490 126.623 -0.133 19910 9804 1 19 . 1 1 41 41 TYR HA H 41 4.958 4.958 5.004 -0.046 19910 9805 1 19 . 1 1 41 41 TYR C C 41 173.070 173.070 174.538 -1.468 19910 9806 1 19 . 1 1 41 41 TYR CA C 41 55.670 55.670 55.948 -0.278 19910 9807 1 19 . 1 1 41 41 TYR CB C 41 41.510 41.510 38.886 2.624 19910 9808 1 19 . 1 1 41 41 TYR H H 41 8.450 8.450 8.557 -0.107 19910 9809 1 19 . 1 1 42 42 ALA N N 42 129.720 129.720 125.986 3.734 19910 9810 1 19 . 1 1 42 42 ALA HA H 42 4.024 4.024 4.252 -0.228 19910 9811 1 19 . 1 1 42 42 ALA C C 42 174.350 174.350 176.068 -1.718 19910 9812 1 19 . 1 1 42 42 ALA CA C 42 51.190 51.190 50.469 0.721 19910 9813 1 19 . 1 1 42 42 ALA CB C 42 20.330 20.330 18.680 1.650 19910 9814 1 19 . 1 1 42 42 ALA H H 42 7.970 7.970 8.846 -0.876 19910 9815 1 19 . 1 1 43 43 LYS N N 43 124.250 124.250 119.251 4.999 19910 9816 1 19 . 1 1 43 43 LYS HA H 43 3.634 3.634 4.002 -0.368 19910 9817 1 19 . 1 1 43 43 LYS CA C 43 56.260 56.260 58.136 -1.875 19910 9818 1 19 . 1 1 43 43 LYS CB C 43 32.860 32.860 29.727 3.132 19910 9819 1 19 . 1 1 43 43 LYS H H 43 7.850 7.850 8.131 -0.281 19910 9820 1 19 . 1 1 44 44 PRO HA H 44 4.487 4.487 4.364 0.123 19910 9821 1 19 . 1 1 44 44 PRO C C 44 173.980 173.980 175.705 -1.725 19910 9822 1 19 . 1 1 44 44 PRO CA C 44 64.380 64.380 63.920 0.460 19910 9823 1 19 . 1 1 44 44 PRO CB C 44 34.010 34.010 32.003 2.007 19910 9824 1 19 . 1 1 45 45 TYR N N 45 126.840 126.840 118.743 8.097 19910 9825 1 19 . 1 1 45 45 TYR HA H 45 5.274 5.274 4.680 0.594 19910 9826 1 19 . 1 1 45 45 TYR C C 45 175.290 175.290 173.941 1.349 19910 9827 1 19 . 1 1 45 45 TYR CA C 45 58.330 58.330 56.533 1.797 19910 9828 1 19 . 1 1 45 45 TYR CB C 45 40.300 40.300 39.547 0.753 19910 9829 1 19 . 1 1 45 45 TYR H H 45 9.360 9.360 7.560 1.800 19910 9830 1 19 . 1 1 46 46 PHE N N 46 121.470 121.470 124.427 -2.957 19910 9831 1 19 . 1 1 46 46 PHE HA H 46 5.422 5.422 5.429 -0.007 19910 9832 1 19 . 1 1 46 46 PHE C C 46 173.180 173.180 173.674 -0.494 19910 9833 1 19 . 1 1 46 46 PHE CA C 46 56.520 56.520 56.005 0.515 19910 9834 1 19 . 1 1 46 46 PHE CB C 46 43.930 43.930 42.074 1.856 19910 9835 1 19 . 1 1 46 46 PHE H H 46 8.870 8.870 8.833 0.037 19910 9836 1 19 . 1 1 47 47 LEU N N 47 129.700 129.700 129.117 0.583 19910 9837 1 19 . 1 1 47 47 LEU HA H 47 4.565 4.565 4.210 0.355 19910 9838 1 19 . 1 1 47 47 LEU C C 47 171.770 171.770 174.177 -2.407 19910 9839 1 19 . 1 1 47 47 LEU CA C 47 53.130 53.130 53.389 -0.259 19910 9840 1 19 . 1 1 47 47 LEU CB C 47 47.560 47.560 45.215 2.345 19910 9841 1 19 . 1 1 47 47 LEU H H 47 8.850 8.850 8.743 0.107 19910 9842 1 19 . 1 1 48 48 ARG N N 48 127.760 127.760 127.411 0.349 19910 9843 1 19 . 1 1 48 48 ARG HA H 48 5.283 5.283 5.017 0.266 19910 9844 1 19 . 1 1 48 48 ARG C C 48 174.090 174.090 174.429 -0.339 19910 9845 1 19 . 1 1 48 48 ARG CA C 48 54.100 54.100 54.386 -0.286 19910 9846 1 19 . 1 1 48 48 ARG CB C 48 33.160 33.160 31.012 2.148 19910 9847 1 19 . 1 1 48 48 ARG H H 48 8.620 8.620 7.996 0.624 19910 9848 1 19 . 1 1 49 49 LEU N N 49 122.890 122.890 128.331 -5.441 19910 9849 1 19 . 1 1 49 49 LEU HA H 49 4.855 4.855 4.762 0.093 19910 9850 1 19 . 1 1 49 49 LEU C C 49 175.880 175.880 175.326 0.554 19910 9851 1 19 . 1 1 49 49 LEU CA C 49 52.880 52.880 54.061 -1.181 19910 9852 1 19 . 1 1 49 49 LEU CB C 49 47.800 47.800 46.301 1.499 19910 9853 1 19 . 1 1 49 49 LEU H H 49 8.970 8.970 8.916 0.054 19910 9854 1 19 . 1 1 50 50 THR N N 50 118.610 118.610 118.540 0.070 19910 9855 1 19 . 1 1 50 50 THR HA H 50 4.862 4.862 4.997 -0.135 19910 9856 1 19 . 1 1 50 50 THR C C 50 174.610 174.610 174.640 -0.030 19910 9857 1 19 . 1 1 50 50 THR CA C 50 61.110 61.110 61.501 -0.391 19910 9858 1 19 . 1 1 50 50 THR CB C 50 69.220 69.220 69.078 0.142 19910 9859 1 19 . 1 1 50 50 THR H H 50 8.670 8.670 8.418 0.252 19910 9860 1 19 . 1 1 51 51 LEU N N 51 126.300 126.300 128.492 -2.192 19910 9861 1 19 . 1 1 51 51 LEU HA H 51 4.302 4.302 4.442 -0.140 19910 9862 1 19 . 1 1 51 51 LEU CA C 51 52.650 52.650 53.687 -1.037 19910 9863 1 19 . 1 1 51 51 LEU CB C 51 41.950 41.950 41.706 0.244 19910 9864 1 19 . 1 1 51 51 LEU H H 51 9.540 9.540 7.864 1.676 19910 9865 1 19 . 1 1 52 52 PRO HA H 52 4.401 4.401 4.239 0.162 19910 9866 1 19 . 1 1 52 52 PRO C C 52 174.240 174.240 176.585 -2.345 19910 9867 1 19 . 1 1 52 52 PRO CA C 52 62.690 62.690 63.716 -1.026 19910 9868 1 19 . 1 1 52 52 PRO CB C 52 30.620 30.620 32.232 -1.612 19910 9869 1 19 . 1 1 53 53 GLY N N 53 105.990 105.990 103.527 2.463 19910 9870 1 19 . 1 1 53 53 GLY C C 53 170.520 170.520 172.679 -2.159 19910 9871 1 19 . 1 1 53 53 GLY CA C 53 43.450 43.450 43.184 0.266 19910 9872 1 19 . 1 1 53 53 GLY H H 53 6.550 6.550 6.728 -0.178 19910 9873 1 19 . 1 1 54 54 ARG N N 54 115.660 115.660 118.140 -2.480 19910 9874 1 19 . 1 1 54 54 ARG HA H 54 4.347 4.347 5.209 -0.862 19910 9875 1 19 . 1 1 54 54 ARG C C 54 176.940 176.940 175.380 1.560 19910 9876 1 19 . 1 1 54 54 ARG CA C 54 55.890 55.890 54.114 1.776 19910 9877 1 19 . 1 1 54 54 ARG CB C 54 32.310 32.310 33.586 -1.276 19910 9878 1 19 . 1 1 54 54 ARG H H 54 8.210 8.210 7.784 0.426 19910 9879 1 19 . 1 1 55 55 ILE N N 55 118.910 118.910 124.371 -5.461 19910 9880 1 19 . 1 1 55 55 ILE HA H 55 5.003 5.003 4.722 0.281 19910 9881 1 19 . 1 1 55 55 ILE C C 55 175.310 175.310 175.274 0.036 19910 9882 1 19 . 1 1 55 55 ILE CA C 55 58.500 58.500 59.185 -0.685 19910 9883 1 19 . 1 1 55 55 ILE CB C 55 40.950 40.950 39.770 1.180 19910 9884 1 19 . 1 1 55 55 ILE H H 55 8.640 8.640 8.309 0.331 19910 9885 1 19 . 1 1 56 56 VAL N N 56 118.140 118.140 126.523 -8.383 19910 9886 1 19 . 1 1 56 56 VAL HA H 56 4.438 4.438 4.007 0.431 19910 9887 1 19 . 1 1 56 56 VAL C C 56 172.920 172.920 175.368 -2.448 19910 9888 1 19 . 1 1 56 56 VAL CA C 56 60.510 60.510 63.119 -2.609 19910 9889 1 19 . 1 1 56 56 VAL CB C 56 34.850 34.850 33.124 1.726 19910 9890 1 19 . 1 1 56 56 VAL H H 56 8.330 8.330 7.961 0.369 19910 9891 1 19 . 1 1 57 57 GLU N N 57 123.300 123.300 125.957 -2.657 19910 9892 1 19 . 1 1 57 57 GLU HA H 57 4.358 4.358 4.980 -0.622 19910 9893 1 19 . 1 1 57 57 GLU C C 57 176.350 176.350 175.488 0.862 19910 9894 1 19 . 1 1 57 57 GLU CA C 57 55.890 55.890 56.370 -0.480 19910 9895 1 19 . 1 1 57 57 GLU CB C 57 29.880 29.880 30.499 -0.619 19910 9896 1 19 . 1 1 57 57 GLU H H 57 8.380 8.380 8.767 -0.387 19910 9897 1 19 . 1 1 58 58 ASN N N 58 121.570 121.570 121.772 -0.202 19910 9898 1 19 . 1 1 58 58 ASN HA H 58 4.764 4.764 4.923 -0.159 19910 9899 1 19 . 1 1 58 58 ASN C C 58 176.120 176.120 175.427 0.693 19910 9900 1 19 . 1 1 58 58 ASN CA C 58 52.760 52.760 53.904 -1.144 19910 9901 1 19 . 1 1 58 58 ASN CB C 58 38.970 38.970 39.796 -0.826 19910 9902 1 19 . 1 1 58 58 ASN H H 58 8.360 8.360 9.207 -0.847 19910 9903 1 19 . 1 1 59 59 GLY N N 59 112.050 112.050 108.428 3.622 19910 9904 1 19 . 1 1 59 59 GLY C C 59 174.840 174.840 174.926 -0.086 19910 9905 1 19 . 1 1 59 59 GLY CA C 59 45.380 45.380 45.410 -0.030 19910 9906 1 19 . 1 1 59 59 GLY H H 59 9.350 9.350 8.534 0.816 19910 9907 1 19 . 1 1 60 60 SER N N 60 115.430 115.430 117.259 -1.829 19910 9908 1 19 . 1 1 60 60 SER HA H 60 4.536 4.536 4.385 0.151 19910 9909 1 19 . 1 1 60 60 SER C C 60 174.140 174.140 175.727 -1.587 19910 9910 1 19 . 1 1 60 60 SER CA C 60 58.810 58.810 59.688 -0.878 19910 9911 1 19 . 1 1 60 60 SER CB C 60 64.140 64.140 63.324 0.816 19910 9912 1 19 . 1 1 60 60 SER H H 60 8.350 8.350 8.249 0.101 19910 9913 1 19 . 1 1 61 61 GLU N N 61 122.950 122.950 118.897 4.053 19910 9914 1 19 . 1 1 61 61 GLU HA H 61 4.525 4.525 3.982 0.543 19910 9915 1 19 . 1 1 61 61 GLU C C 61 175.550 175.550 175.955 -0.405 19910 9916 1 19 . 1 1 61 61 GLU CA C 61 56.520 56.520 57.966 -1.446 19910 9917 1 19 . 1 1 61 61 GLU CB C 61 29.530 29.530 29.158 0.372 19910 9918 1 19 . 1 1 61 61 GLU H H 61 8.910 8.910 8.009 0.901 19910 9919 1 19 . 1 1 62 62 GLN N N 62 120.280 120.280 118.473 1.807 19910 9920 1 19 . 1 1 62 62 GLN HA H 62 4.601 4.601 4.578 0.023 19910 9921 1 19 . 1 1 62 62 GLN C C 62 175.700 175.700 174.108 1.592 19910 9922 1 19 . 1 1 62 62 GLN CA C 62 55.430 55.430 55.664 -0.234 19910 9923 1 19 . 1 1 62 62 GLN CB C 62 31.340 31.340 33.188 -1.848 19910 9924 1 19 . 1 1 62 62 GLN H H 62 8.310 8.310 8.126 0.184 19910 9925 1 19 . 1 1 63 63 GLY N N 63 111.400 111.400 109.499 1.901 19910 9926 1 19 . 1 1 63 63 GLY C C 63 172.550 172.550 173.022 -0.472 19910 9927 1 19 . 1 1 63 63 GLY CA C 63 44.690 44.690 44.422 0.268 19910 9928 1 19 . 1 1 63 63 GLY H H 63 8.880 8.880 8.397 0.483 19910 9929 1 19 . 1 1 64 64 SER N N 64 115.080 115.080 116.949 -1.869 19910 9930 1 19 . 1 1 64 64 SER HA H 64 4.629 4.629 4.654 -0.025 19910 9931 1 19 . 1 1 64 64 SER C C 64 171.770 171.770 172.581 -0.811 19910 9932 1 19 . 1 1 64 64 SER CA C 64 57.120 57.120 57.790 -0.670 19910 9933 1 19 . 1 1 64 64 SER CB C 64 65.230 65.230 64.886 0.344 19910 9934 1 19 . 1 1 64 64 SER H H 64 8.280 8.280 8.813 -0.533 19910 9935 1 19 . 1 1 65 65 TYR N N 65 124.640 124.640 127.230 -2.590 19910 9936 1 19 . 1 1 65 65 TYR HA H 65 5.198 5.198 5.499 -0.301 19910 9937 1 19 . 1 1 65 65 TYR C C 65 173.640 173.640 174.434 -0.794 19910 9938 1 19 . 1 1 65 65 TYR CA C 65 55.670 55.670 57.127 -1.457 19910 9939 1 19 . 1 1 65 65 TYR CB C 65 40.900 40.900 40.830 0.070 19910 9940 1 19 . 1 1 65 65 TYR H H 65 8.980 8.980 8.555 0.425 19910 9941 1 19 . 1 1 66 66 ASP N N 66 128.570 128.570 127.480 1.090 19910 9942 1 19 . 1 1 66 66 ASP HA H 66 4.532 4.532 4.647 -0.115 19910 9943 1 19 . 1 1 66 66 ASP C C 66 175.340 175.340 174.865 0.475 19910 9944 1 19 . 1 1 66 66 ASP CA C 66 51.800 51.800 52.510 -0.710 19910 9945 1 19 . 1 1 66 66 ASP CB C 66 41.510 41.510 42.889 -1.379 19910 9946 1 19 . 1 1 66 66 ASP H H 66 8.000 8.000 8.352 -0.352 19910 9947 1 19 . 1 1 67 67 ALA N N 67 127.520 127.520 127.753 -0.233 19910 9948 1 19 . 1 1 67 67 ALA HA H 67 3.597 3.597 4.015 -0.418 19910 9949 1 19 . 1 1 67 67 ALA C C 67 178.770 178.770 177.375 1.395 19910 9950 1 19 . 1 1 67 67 ALA CA C 67 53.850 53.850 54.371 -0.521 19910 9951 1 19 . 1 1 67 67 ALA CB C 67 18.640 18.640 19.123 -0.483 19910 9952 1 19 . 1 1 67 67 ALA H H 67 8.460 8.460 8.266 0.194 19910 9953 1 19 . 1 1 68 68 ASP N N 68 117.850 117.850 117.767 0.083 19910 9954 1 19 . 1 1 68 68 ASP HA H 68 4.340 4.340 4.368 -0.028 19910 9955 1 19 . 1 1 68 68 ASP C C 68 177.780 177.780 177.540 0.240 19910 9956 1 19 . 1 1 68 68 ASP CA C 68 56.760 56.760 56.358 0.402 19910 9957 1 19 . 1 1 68 68 ASP CB C 68 40.900 40.900 40.381 0.519 19910 9958 1 19 . 1 1 68 68 ASP H H 68 7.980 7.980 7.872 0.108 19910 9959 1 19 . 1 1 69 69 LYS N N 69 115.790 115.790 117.775 -1.985 19910 9960 1 19 . 1 1 69 69 LYS HA H 69 4.119 4.119 4.268 -0.149 19910 9961 1 19 . 1 1 69 69 LYS C C 69 177.130 177.130 176.767 0.363 19910 9962 1 19 . 1 1 69 69 LYS CA C 69 56.150 56.150 56.392 -0.242 19910 9963 1 19 . 1 1 69 69 LYS CB C 69 34.010 34.010 33.198 0.812 19910 9964 1 19 . 1 1 69 69 LYS H H 69 7.390 7.390 7.992 -0.602 19910 9965 1 19 . 1 1 70 70 GLY N N 70 110.040 110.040 108.613 1.427 19910 9966 1 19 . 1 1 70 70 GLY C C 70 174.040 174.040 173.422 0.618 19910 9967 1 19 . 1 1 70 70 GLY CA C 70 46.830 46.830 45.503 1.327 19910 9968 1 19 . 1 1 70 70 GLY H H 70 8.030 8.030 7.684 0.346 19910 9969 1 19 . 1 1 71 71 ILE N N 71 115.810 115.810 119.398 -3.588 19910 9970 1 19 . 1 1 71 71 ILE HA H 71 4.861 4.861 4.448 0.413 19910 9971 1 19 . 1 1 71 71 ILE C C 71 175.520 175.520 173.804 1.716 19910 9972 1 19 . 1 1 71 71 ILE CA C 71 59.420 59.420 61.135 -1.715 19910 9973 1 19 . 1 1 71 71 ILE CB C 71 42.240 42.240 41.745 0.495 19910 9974 1 19 . 1 1 71 71 ILE H H 71 6.990 6.990 8.243 -1.253 19910 9975 1 19 . 1 1 72 72 PHE N N 72 132.630 132.630 129.408 3.222 19910 9976 1 19 . 1 1 72 72 PHE HA H 72 5.377 5.377 5.287 0.090 19910 9977 1 19 . 1 1 72 72 PHE C C 72 173.310 173.310 173.872 -0.562 19910 9978 1 19 . 1 1 72 72 PHE CA C 72 56.150 56.150 54.962 1.188 19910 9979 1 19 . 1 1 72 72 PHE CB C 72 41.630 41.630 41.231 0.399 19910 9980 1 19 . 1 1 72 72 PHE H H 72 9.720 9.720 8.955 0.765 19910 9981 1 19 . 1 1 73 73 THR N N 73 124.190 124.190 125.081 -0.891 19910 9982 1 19 . 1 1 73 73 THR HA H 73 5.047 5.047 5.151 -0.103 19910 9983 1 19 . 1 1 73 73 THR C C 73 172.660 172.660 172.762 -0.102 19910 9984 1 19 . 1 1 73 73 THR CA C 73 61.480 61.480 60.815 0.665 19910 9985 1 19 . 1 1 73 73 THR CB C 73 69.950 69.950 70.517 -0.567 19910 9986 1 19 . 1 1 73 73 THR H H 73 8.610 8.610 8.807 -0.197 19910 9987 1 19 . 1 1 74 74 ILE N N 74 125.780 125.780 126.738 -0.958 19910 9988 1 19 . 1 1 74 74 ILE HA H 74 4.557 4.557 4.898 -0.341 19910 9989 1 19 . 1 1 74 74 ILE C C 74 171.480 171.480 173.476 -1.996 19910 9990 1 19 . 1 1 74 74 ILE CA C 74 59.060 59.060 58.836 0.224 19910 9991 1 19 . 1 1 74 74 ILE CB C 74 41.510 41.510 41.677 -0.167 19910 9992 1 19 . 1 1 74 74 ILE H H 74 8.850 8.850 8.107 0.743 19910 9993 1 19 . 1 1 75 75 ARG N N 75 127.330 127.330 127.926 -0.596 19910 9994 1 19 . 1 1 75 75 ARG HA H 75 4.859 4.859 4.433 0.426 19910 9995 1 19 . 1 1 75 75 ARG C C 75 174.790 174.790 174.492 0.298 19910 9996 1 19 . 1 1 75 75 ARG CA C 75 54.460 54.460 54.603 -0.143 19910 9997 1 19 . 1 1 75 75 ARG CB C 75 31.460 31.460 31.186 0.274 19910 9998 1 19 . 1 1 75 75 ARG H H 75 8.320 8.320 8.586 -0.266 19910 9999 1 19 . 1 1 76 76 LEU N N 76 125.120 125.120 122.316 2.804 19910 10000 1 19 . 1 1 76 76 LEU HA H 76 4.819 4.819 4.753 0.066 19910 10001 1 19 . 1 1 76 76 LEU CA C 76 50.530 50.530 51.598 -1.068 19910 10002 1 19 . 1 1 76 76 LEU CB C 76 43.070 43.070 44.139 -1.069 19910 10003 1 19 . 1 1 76 76 LEU H H 76 9.300 9.300 7.954 1.346 19910 10004 1 19 . 1 1 77 77 PRO HA H 77 4.114 4.114 4.541 -0.427 19910 10005 1 19 . 1 1 77 77 PRO C C 77 176.430 176.430 176.702 -0.272 19910 10006 1 19 . 1 1 77 77 PRO CA C 77 62.080 62.080 61.962 0.118 19910 10007 1 19 . 1 1 77 77 PRO CB C 77 31.220 31.220 32.347 -1.127 19910 10008 1 19 . 1 1 78 78 LYS N N 78 122.800 122.800 119.697 3.103 19910 10009 1 19 . 1 1 78 78 LYS HA H 78 4.062 4.062 4.631 -0.569 19910 10010 1 19 . 1 1 78 78 LYS C C 78 176.590 176.590 176.987 -0.397 19910 10011 1 19 . 1 1 78 78 LYS CA C 78 57.730 57.730 54.695 3.035 19910 10012 1 19 . 1 1 78 78 LYS CB C 78 32.800 32.800 33.247 -0.447 19910 10013 1 19 . 1 1 78 78 LYS H H 78 7.790 7.790 7.793 -0.003 19910 10014 1 19 . 1 1 79 79 GLU N N 79 124.540 124.540 121.770 2.770 19910 10015 1 19 . 1 1 79 79 GLU HA H 79 3.689 3.689 4.176 -0.487 19910 10016 1 19 . 1 1 79 79 GLU C C 79 176.300 176.300 176.330 -0.030 19910 10017 1 19 . 1 1 79 79 GLU CA C 79 59.420 59.420 58.373 1.047 19910 10018 1 19 . 1 1 79 79 GLU CB C 79 30.500 30.500 30.155 0.345 19910 10019 1 19 . 1 1 79 79 GLU H H 79 8.520 8.520 8.698 -0.178 19910 10020 1 19 . 1 1 80 80 THR N N 80 115.960 115.960 116.296 -0.336 19910 10021 1 19 . 1 1 80 80 THR HA H 80 4.485 4.485 4.743 -0.258 19910 10022 1 19 . 1 1 80 80 THR CA C 80 59.120 59.120 59.243 -0.123 19910 10023 1 19 . 1 1 80 80 THR CB C 80 69.330 69.330 70.328 -0.997 19910 10024 1 19 . 1 1 80 80 THR H H 80 9.070 9.070 7.774 1.296 19910 10025 1 19 . 1 1 81 81 PRO HA H 81 4.070 4.070 4.051 0.019 19910 10026 1 19 . 1 1 81 81 PRO C C 81 177.860 177.860 178.135 -0.275 19910 10027 1 19 . 1 1 81 81 PRO CA C 81 63.900 63.900 63.737 0.163 19910 10028 1 19 . 1 1 81 81 PRO CB C 81 31.460 31.460 31.842 -0.382 19910 10029 1 19 . 1 1 82 82 GLY N N 82 113.580 113.580 109.946 3.634 19910 10030 1 19 . 1 1 82 82 GLY C C 82 174.870 174.870 174.042 0.828 19910 10031 1 19 . 1 1 82 82 GLY CA C 82 45.140 45.140 44.966 0.174 19910 10032 1 19 . 1 1 82 82 GLY H H 82 9.150 9.150 8.547 0.603 19910 10033 1 19 . 1 1 83 83 GLN N N 83 122.820 122.820 120.268 2.552 19910 10034 1 19 . 1 1 83 83 GLN HA H 83 4.159 4.159 4.351 -0.192 19910 10035 1 19 . 1 1 83 83 GLN C C 83 175.180 175.180 175.049 0.131 19910 10036 1 19 . 1 1 83 83 GLN CA C 83 56.390 56.390 55.659 0.731 19910 10037 1 19 . 1 1 83 83 GLN CB C 83 29.410 29.410 30.339 -0.929 19910 10038 1 19 . 1 1 83 83 GLN H H 83 7.960 7.960 7.431 0.529 19910 10039 1 19 . 1 1 84 84 HIS N N 84 131.340 131.340 126.297 5.043 19910 10040 1 19 . 1 1 84 84 HIS HA H 84 4.299 4.299 4.792 -0.493 19910 10041 1 19 . 1 1 84 84 HIS C C 84 175.300 175.300 173.766 1.534 19910 10042 1 19 . 1 1 84 84 HIS CA C 84 56.640 56.640 53.702 2.938 19910 10043 1 19 . 1 1 84 84 HIS CB C 84 30.980 30.980 32.267 -1.287 19910 10044 1 19 . 1 1 84 84 HIS H H 84 9.220 9.220 8.657 0.563 19910 10045 1 19 . 1 1 85 85 PHE N N 85 130.320 130.320 126.753 3.567 19910 10046 1 19 . 1 1 85 85 PHE HA H 85 4.722 4.722 4.427 0.295 19910 10047 1 19 . 1 1 85 85 PHE C C 85 174.890 174.890 175.572 -0.682 19910 10048 1 19 . 1 1 85 85 PHE CA C 85 54.580 54.580 55.927 -1.347 19910 10049 1 19 . 1 1 85 85 PHE CB C 85 36.430 36.430 37.124 -0.694 19910 10050 1 19 . 1 1 85 85 PHE H H 85 9.130 9.130 9.092 0.038 19910 10051 1 19 . 1 1 86 86 GLU N N 86 126.010 126.010 122.891 3.119 19910 10052 1 19 . 1 1 86 86 GLU HA H 86 4.199 4.199 4.013 0.186 19910 10053 1 19 . 1 1 86 86 GLU C C 86 177.000 177.000 177.444 -0.444 19910 10054 1 19 . 1 1 86 86 GLU CA C 86 55.910 55.910 56.292 -0.382 19910 10055 1 19 . 1 1 86 86 GLU CB C 86 30.620 30.620 30.521 0.099 19910 10056 1 19 . 1 1 86 86 GLU H H 86 8.900 8.900 7.762 1.138 19910 10057 1 19 . 1 1 87 87 GLY N N 87 108.540 108.540 107.391 1.149 19910 10058 1 19 . 1 1 87 87 GLY C C 87 177.370 177.370 175.424 1.946 19910 10059 1 19 . 1 1 87 87 GLY CA C 87 46.590 46.590 46.275 0.315 19910 10060 1 19 . 1 1 87 87 GLY H H 87 8.610 8.610 8.657 -0.047 19910 10061 1 19 . 1 1 88 88 LEU N N 88 119.830 119.830 120.051 -0.221 19910 10062 1 19 . 1 1 88 88 LEU HA H 88 3.775 3.775 3.915 -0.140 19910 10063 1 19 . 1 1 88 88 LEU C C 88 177.500 177.500 176.921 0.579 19910 10064 1 19 . 1 1 88 88 LEU CA C 88 57.850 57.850 57.677 0.173 19910 10065 1 19 . 1 1 88 88 LEU CB C 88 40.780 40.780 41.734 -0.954 19910 10066 1 19 . 1 1 88 88 LEU H H 88 8.370 8.370 8.267 0.103 19910 10067 1 19 . 1 1 89 89 ASN N N 89 112.390 112.390 115.079 -2.689 19910 10068 1 19 . 1 1 89 89 ASN HA H 89 4.524 4.524 4.798 -0.274 19910 10069 1 19 . 1 1 89 89 ASN C C 89 175.440 175.440 176.304 -0.864 19910 10070 1 19 . 1 1 89 89 ASN CA C 89 54.340 54.340 54.086 0.255 19910 10071 1 19 . 1 1 89 89 ASN CB C 89 37.030 37.030 38.783 -1.753 19910 10072 1 19 . 1 1 89 89 ASN H H 89 8.470 8.470 8.106 0.364 19910 10073 1 19 . 1 1 90 90 MET N N 90 117.460 117.460 119.241 -1.781 19910 10074 1 19 . 1 1 90 90 MET HA H 90 4.626 4.626 4.362 0.264 19910 10075 1 19 . 1 1 90 90 MET C C 90 176.040 176.040 176.556 -0.516 19910 10076 1 19 . 1 1 90 90 MET CA C 90 54.340 54.340 55.373 -1.033 19910 10077 1 19 . 1 1 90 90 MET CB C 90 32.550 32.550 32.490 0.060 19910 10078 1 19 . 1 1 90 90 MET H H 90 7.460 7.460 7.864 -0.404 19910 10079 1 19 . 1 1 91 91 LEU N N 91 121.330 121.330 120.439 0.891 19910 10080 1 19 . 1 1 91 91 LEU HA H 91 4.277 4.277 4.161 0.116 19910 10081 1 19 . 1 1 91 91 LEU C C 91 176.870 176.870 177.226 -0.356 19910 10082 1 19 . 1 1 91 91 LEU CA C 91 56.390 56.390 55.870 0.520 19910 10083 1 19 . 1 1 91 91 LEU CB C 91 42.480 42.480 42.717 -0.237 19910 10084 1 19 . 1 1 91 91 LEU H H 91 7.280 7.280 7.646 -0.366 19910 10085 1 19 . 1 1 92 92 THR N N 92 113.970 113.970 112.739 1.231 19910 10086 1 19 . 1 1 92 92 THR HA H 92 4.582 4.582 4.496 0.086 19910 10087 1 19 . 1 1 92 92 THR C C 92 173.180 173.180 173.082 0.098 19910 10088 1 19 . 1 1 92 92 THR CA C 92 60.390 60.390 60.890 -0.500 19910 10089 1 19 . 1 1 92 92 THR CB C 92 71.160 71.160 70.493 0.667 19910 10090 1 19 . 1 1 92 92 THR H H 92 8.110 8.110 8.027 0.083 19910 10091 1 19 . 1 1 93 93 ALA N N 93 124.650 124.650 126.729 -2.079 19910 10092 1 19 . 1 1 93 93 ALA HA H 93 4.245 4.245 4.833 -0.588 19910 10093 1 19 . 1 1 93 93 ALA C C 93 177.650 177.650 176.745 0.905 19910 10094 1 19 . 1 1 93 93 ALA CA C 93 52.640 52.640 51.591 1.049 19910 10095 1 19 . 1 1 93 93 ALA CB C 93 19.670 19.670 19.281 0.389 19910 10096 1 19 . 1 1 93 93 ALA H H 93 8.430 8.430 8.375 0.055 19910 10097 1 19 . 1 1 94 94 LEU N N 94 123.150 123.150 123.228 -0.078 19910 10098 1 19 . 1 1 94 94 LEU HA H 94 4.450 4.450 4.750 -0.300 19910 10099 1 19 . 1 1 94 94 LEU C C 94 177.420 177.420 176.225 1.195 19910 10100 1 19 . 1 1 94 94 LEU CA C 94 54.940 54.940 54.638 0.302 19910 10101 1 19 . 1 1 94 94 LEU CB C 94 42.480 42.480 42.322 0.158 19910 10102 1 19 . 1 1 94 94 LEU H H 94 8.450 8.450 8.443 0.007 19910 10103 1 19 . 1 1 95 95 LEU N N 95 124.390 124.390 126.402 -2.012 19910 10104 1 19 . 1 1 95 95 LEU HA H 95 4.409 4.409 4.686 -0.277 19910 10105 1 19 . 1 1 95 95 LEU C C 95 175.990 175.990 177.297 -1.307 19910 10106 1 19 . 1 1 95 95 LEU CA C 95 55.060 55.060 54.875 0.185 19910 10107 1 19 . 1 1 95 95 LEU CB C 95 42.360 42.360 41.630 0.730 19910 10108 1 19 . 1 1 95 95 LEU H H 95 8.380 8.380 8.580 -0.200 19910 10109 1 20 . 1 1 2 2 LEU N N 2 123.170 123.170 124.762 -1.592 19910 10110 1 20 . 1 1 2 2 LEU HA H 2 4.588 4.588 4.649 -0.061 19910 10111 1 20 . 1 1 2 2 LEU C C 2 176.260 176.260 176.727 -0.467 19910 10112 1 20 . 1 1 2 2 LEU CA C 2 53.730 53.730 54.280 -0.550 19910 10113 1 20 . 1 1 2 2 LEU CB C 2 44.290 44.290 42.569 1.721 19910 10114 1 20 . 1 1 2 2 LEU H H 2 8.690 8.690 8.153 0.537 19910 10115 1 20 . 1 1 3 3 THR N N 3 120.960 120.960 115.541 5.419 19910 10116 1 20 . 1 1 3 3 THR HA H 3 5.193 5.193 4.822 0.371 19910 10117 1 20 . 1 1 3 3 THR CA C 3 59.990 59.990 60.012 -0.022 19910 10118 1 20 . 1 1 3 3 THR CB C 3 69.950 69.950 69.017 0.933 19910 10119 1 20 . 1 1 3 3 THR H H 3 8.850 8.850 8.272 0.578 19910 10120 1 20 . 1 1 4 4 PRO HA H 4 4.718 4.718 4.703 0.015 19910 10121 1 20 . 1 1 4 4 PRO C C 4 175.870 175.870 175.941 -0.071 19910 10122 1 20 . 1 1 4 4 PRO CA C 4 62.080 62.080 62.224 -0.144 19910 10123 1 20 . 1 1 4 4 PRO CB C 4 31.950 31.950 32.971 -1.021 19910 10124 1 20 . 1 1 5 5 ALA N N 5 122.560 122.560 123.205 -0.645 19910 10125 1 20 . 1 1 5 5 ALA HA H 5 4.348 4.348 4.515 -0.167 19910 10126 1 20 . 1 1 5 5 ALA C C 5 176.360 176.360 176.758 -0.398 19910 10127 1 20 . 1 1 5 5 ALA CA C 5 52.280 52.280 50.947 1.333 19910 10128 1 20 . 1 1 5 5 ALA CB C 5 18.880 18.880 17.728 1.152 19910 10129 1 20 . 1 1 5 5 ALA H H 5 8.400 8.400 8.305 0.095 19910 10130 1 20 . 1 1 6 6 PHE N N 6 115.160 115.160 118.313 -3.153 19910 10131 1 20 . 1 1 6 6 PHE HA H 6 5.537 5.537 4.453 1.084 19910 10132 1 20 . 1 1 6 6 PHE C C 6 172.590 172.590 174.760 -2.170 19910 10133 1 20 . 1 1 6 6 PHE CA C 6 55.430 55.430 57.149 -1.719 19910 10134 1 20 . 1 1 6 6 PHE CB C 6 42.240 42.240 39.267 2.974 19910 10135 1 20 . 1 1 6 6 PHE H H 6 7.740 7.740 7.593 0.147 19910 10136 1 20 . 1 1 7 7 ASP N N 7 118.960 118.960 119.170 -0.210 19910 10137 1 20 . 1 1 7 7 ASP HA H 7 4.813 4.813 4.873 -0.060 19910 10138 1 20 . 1 1 7 7 ASP C C 7 174.530 174.530 174.546 -0.016 19910 10139 1 20 . 1 1 7 7 ASP CA C 7 53.370 53.370 53.776 -0.406 19910 10140 1 20 . 1 1 7 7 ASP CB C 7 45.380 45.380 45.529 -0.149 19910 10141 1 20 . 1 1 7 7 ASP H H 7 8.910 8.910 8.281 0.629 19910 10142 1 20 . 1 1 8 8 LEU N N 8 123.470 123.470 121.555 1.915 19910 10143 1 20 . 1 1 8 8 LEU HA H 8 5.284 5.284 4.767 0.517 19910 10144 1 20 . 1 1 8 8 LEU C C 8 175.420 175.420 176.446 -1.026 19910 10145 1 20 . 1 1 8 8 LEU CA C 8 53.850 53.850 54.139 -0.289 19910 10146 1 20 . 1 1 8 8 LEU CB C 8 45.620 45.620 43.732 1.888 19910 10147 1 20 . 1 1 8 8 LEU H H 8 8.750 8.750 8.447 0.303 19910 10148 1 20 . 1 1 9 9 SER N N 9 115.920 115.920 117.574 -1.654 19910 10149 1 20 . 1 1 9 9 SER HA H 9 4.486 4.486 4.841 -0.355 19910 10150 1 20 . 1 1 9 9 SER C C 9 171.680 171.680 172.921 -1.241 19910 10151 1 20 . 1 1 9 9 SER CA C 9 57.000 57.000 57.202 -0.202 19910 10152 1 20 . 1 1 9 9 SER CB C 9 65.590 65.590 65.535 0.055 19910 10153 1 20 . 1 1 9 9 SER H H 9 8.860 8.860 8.810 0.050 19910 10154 1 20 . 1 1 10 10 GLN N N 10 115.230 115.230 122.581 -7.351 19910 10155 1 20 . 1 1 10 10 GLN HA H 10 5.375 5.375 4.478 0.897 19910 10156 1 20 . 1 1 10 10 GLN C C 10 172.130 172.130 173.703 -1.573 19910 10157 1 20 . 1 1 10 10 GLN CA C 10 54.270 54.270 54.763 -0.493 19910 10158 1 20 . 1 1 10 10 GLN CB C 10 32.990 32.990 31.193 1.797 19910 10159 1 20 . 1 1 10 10 GLN H H 10 8.800 8.800 8.397 0.403 19910 10160 1 20 . 1 1 11 11 ASP N N 11 124.270 124.270 122.461 1.809 19910 10161 1 20 . 1 1 11 11 ASP HA H 11 4.768 4.768 4.991 -0.223 19910 10162 1 20 . 1 1 11 11 ASP CA C 11 52.530 52.530 50.931 1.599 19910 10163 1 20 . 1 1 11 11 ASP CB C 11 42.200 42.200 43.648 -1.448 19910 10164 1 20 . 1 1 11 11 ASP H H 11 8.680 8.680 8.338 0.342 19910 10165 1 20 . 1 1 12 12 PRO HA H 12 4.050 4.050 4.270 -0.220 19910 10166 1 20 . 1 1 12 12 PRO C C 12 175.290 175.290 175.757 -0.467 19910 10167 1 20 . 1 1 12 12 PRO CA C 12 66.920 66.920 64.692 2.228 19910 10168 1 20 . 1 1 12 12 PRO CB C 12 31.950 31.950 32.004 -0.054 19910 10169 1 20 . 1 1 13 13 ASP N N 13 110.550 110.550 114.384 -3.834 19910 10170 1 20 . 1 1 13 13 ASP HA H 13 4.632 4.632 4.659 -0.027 19910 10171 1 20 . 1 1 13 13 ASP C C 13 176.480 176.480 174.271 2.209 19910 10172 1 20 . 1 1 13 13 ASP CA C 13 54.940 54.940 53.362 1.578 19910 10173 1 20 . 1 1 13 13 ASP CB C 13 44.410 44.410 41.639 2.771 19910 10174 1 20 . 1 1 13 13 ASP H H 13 7.990 7.990 8.468 -0.478 19910 10175 1 20 . 1 1 14 14 PHE N N 14 118.880 118.880 116.534 2.346 19910 10176 1 20 . 1 1 14 14 PHE HA H 14 5.049 5.049 4.911 0.138 19910 10177 1 20 . 1 1 14 14 PHE C C 14 174.690 174.690 173.295 1.395 19910 10178 1 20 . 1 1 14 14 PHE CA C 14 57.600 57.600 57.371 0.229 19910 10179 1 20 . 1 1 14 14 PHE CB C 14 42.960 42.960 42.775 0.185 19910 10180 1 20 . 1 1 14 14 PHE H H 14 8.390 8.390 8.127 0.263 19910 10181 1 20 . 1 1 15 15 LEU N N 15 123.990 123.990 121.592 2.398 19910 10182 1 20 . 1 1 15 15 LEU HA H 15 4.613 4.613 4.720 -0.107 19910 10183 1 20 . 1 1 15 15 LEU C C 15 174.780 174.780 174.835 -0.055 19910 10184 1 20 . 1 1 15 15 LEU CA C 15 53.250 53.250 54.416 -1.167 19910 10185 1 20 . 1 1 15 15 LEU CB C 15 45.020 45.020 44.261 0.759 19910 10186 1 20 . 1 1 15 15 LEU H H 15 9.200 9.200 9.123 0.077 19910 10187 1 20 . 1 1 16 16 THR N N 16 122.960 122.960 124.220 -1.260 19910 10188 1 20 . 1 1 16 16 THR HA H 16 4.849 4.849 4.994 -0.145 19910 10189 1 20 . 1 1 16 16 THR C C 16 172.810 172.810 173.542 -0.732 19910 10190 1 20 . 1 1 16 16 THR CA C 16 62.690 62.690 62.043 0.647 19910 10191 1 20 . 1 1 16 16 THR CB C 16 69.340 69.340 70.506 -1.166 19910 10192 1 20 . 1 1 16 16 THR H H 16 9.000 9.000 8.923 0.077 19910 10193 1 20 . 1 1 17 17 ILE N N 17 126.630 126.630 124.557 2.073 19910 10194 1 20 . 1 1 17 17 ILE HA H 17 4.439 4.439 4.273 0.166 19910 10195 1 20 . 1 1 17 17 ILE C C 17 172.580 172.580 173.588 -1.008 19910 10196 1 20 . 1 1 17 17 ILE CA C 17 60.030 60.030 59.513 0.517 19910 10197 1 20 . 1 1 17 17 ILE CB C 17 39.450 39.450 41.059 -1.609 19910 10198 1 20 . 1 1 17 17 ILE H H 17 8.680 8.680 8.432 0.248 19910 10199 1 20 . 1 1 18 18 ALA N N 18 130.190 130.190 127.134 3.056 19910 10200 1 20 . 1 1 18 18 ALA HA H 18 5.215 5.215 5.222 -0.007 19910 10201 1 20 . 1 1 18 18 ALA C C 18 176.660 176.660 175.906 0.754 19910 10202 1 20 . 1 1 18 18 ALA CA C 18 49.980 49.980 50.270 -0.290 19910 10203 1 20 . 1 1 18 18 ALA CB C 18 20.570 20.570 21.720 -1.150 19910 10204 1 20 . 1 1 18 18 ALA H H 18 8.490 8.490 8.353 0.137 19910 10205 1 20 . 1 1 19 19 ILE N N 19 124.920 124.920 123.960 0.960 19910 10206 1 20 . 1 1 19 19 ILE HA H 19 4.307 4.307 4.340 -0.033 19910 10207 1 20 . 1 1 19 19 ILE C C 19 174.710 174.710 174.764 -0.054 19910 10208 1 20 . 1 1 19 19 ILE CA C 19 60.990 60.990 60.232 0.758 19910 10209 1 20 . 1 1 19 19 ILE CB C 19 40.900 40.900 40.615 0.285 19910 10210 1 20 . 1 1 19 19 ILE H H 19 9.590 9.590 8.705 0.885 19910 10211 1 20 . 1 1 20 20 ARG N N 20 128.960 128.960 128.511 0.449 19910 10212 1 20 . 1 1 20 20 ARG HA H 20 4.642 4.642 4.411 0.231 19910 10213 1 20 . 1 1 20 20 ARG C C 20 174.890 174.890 174.861 0.029 19910 10214 1 20 . 1 1 20 20 ARG CA C 20 56.030 56.030 55.849 0.181 19910 10215 1 20 . 1 1 20 20 ARG CB C 20 29.530 29.530 30.963 -1.433 19910 10216 1 20 . 1 1 20 20 ARG H H 20 8.600 8.600 8.625 -0.025 19910 10217 1 20 . 1 1 21 21 VAL N N 21 120.400 120.400 121.377 -0.977 19910 10218 1 20 . 1 1 21 21 VAL HA H 21 4.010 4.010 4.156 -0.146 19910 10219 1 20 . 1 1 21 21 VAL C C 21 174.950 174.950 175.121 -0.171 19910 10220 1 20 . 1 1 21 21 VAL CA C 21 59.420 59.420 59.663 -0.242 19910 10221 1 20 . 1 1 21 21 VAL CB C 21 33.280 33.280 34.263 -0.983 19910 10222 1 20 . 1 1 21 21 VAL H H 21 8.020 8.020 8.308 -0.288 19910 10223 1 20 . 1 1 22 22 SER N N 22 118.050 118.050 122.147 -4.097 19910 10224 1 20 . 1 1 22 22 SER HA H 22 4.540 4.540 4.759 -0.219 19910 10225 1 20 . 1 1 22 22 SER C C 22 174.110 174.110 176.173 -2.063 19910 10226 1 20 . 1 1 22 22 SER CA C 22 59.540 59.540 58.821 0.719 19910 10227 1 20 . 1 1 22 22 SER CB C 22 63.600 63.600 63.903 -0.303 19910 10228 1 20 . 1 1 22 22 SER H H 22 7.770 7.770 8.558 -0.788 19910 10229 1 20 . 1 1 23 23 TYR N N 23 120.870 120.870 121.115 -0.245 19910 10230 1 20 . 1 1 23 23 TYR HA H 23 4.493 4.493 4.350 0.143 19910 10231 1 20 . 1 1 23 23 TYR C C 23 175.310 175.310 176.156 -0.846 19910 10232 1 20 . 1 1 23 23 TYR CA C 23 58.210 58.210 58.588 -0.378 19910 10233 1 20 . 1 1 23 23 TYR CB C 23 37.880 37.880 38.355 -0.475 19910 10234 1 20 . 1 1 23 23 TYR H H 23 8.300 8.300 8.658 -0.358 19910 10235 1 20 . 1 1 24 24 ALA N N 24 122.670 122.670 118.740 3.930 19910 10236 1 20 . 1 1 24 24 ALA HA H 24 4.303 4.303 4.264 0.039 19910 10237 1 20 . 1 1 24 24 ALA C C 24 177.160 177.160 177.409 -0.249 19910 10238 1 20 . 1 1 24 24 ALA CA C 24 52.520 52.520 52.464 0.056 19910 10239 1 20 . 1 1 24 24 ALA CB C 24 19.730 19.730 18.990 0.740 19910 10240 1 20 . 1 1 24 24 ALA H H 24 7.910 7.910 8.477 -0.567 19910 10241 1 20 . 1 1 25 25 ARG N N 25 119.060 119.060 121.261 -2.201 19910 10242 1 20 . 1 1 25 25 ARG HA H 25 4.346 4.346 4.264 0.082 19910 10243 1 20 . 1 1 25 25 ARG C C 25 175.830 175.830 175.955 -0.125 19910 10244 1 20 . 1 1 25 25 ARG CA C 25 55.550 55.550 56.668 -1.118 19910 10245 1 20 . 1 1 25 25 ARG CB C 25 30.500 30.500 29.998 0.502 19910 10246 1 20 . 1 1 25 25 ARG H H 25 8.220 8.220 8.735 -0.515 19910 10247 1 20 . 1 1 26 26 VAL N N 26 118.660 118.660 114.089 4.571 19910 10248 1 20 . 1 1 26 26 VAL HA H 26 3.454 3.454 4.490 -1.036 19910 10249 1 20 . 1 1 26 26 VAL C C 26 175.700 175.700 175.754 -0.054 19910 10250 1 20 . 1 1 26 26 VAL CA C 26 61.960 61.960 60.310 1.650 19910 10251 1 20 . 1 1 26 26 VAL CB C 26 32.800 32.800 33.823 -1.023 19910 10252 1 20 . 1 1 26 26 VAL H H 26 7.650 7.650 7.400 0.250 19910 10253 1 20 . 1 1 27 27 SER N N 27 116.090 116.090 121.879 -5.789 19910 10254 1 20 . 1 1 27 27 SER HA H 27 4.183 4.183 4.222 -0.039 19910 10255 1 20 . 1 1 27 27 SER C C 27 173.750 173.750 175.044 -1.294 19910 10256 1 20 . 1 1 27 27 SER CA C 27 58.570 58.570 60.471 -1.901 19910 10257 1 20 . 1 1 27 27 SER CB C 27 63.530 63.530 63.541 -0.011 19910 10258 1 20 . 1 1 27 27 SER H H 27 8.180 8.180 8.738 -0.558 19910 10259 1 20 . 1 1 28 28 GLU N N 28 120.070 120.070 119.464 0.606 19910 10260 1 20 . 1 1 28 28 GLU HA H 28 4.203 4.203 3.822 0.381 19910 10261 1 20 . 1 1 28 28 GLU C C 28 174.790 174.790 175.161 -0.371 19910 10262 1 20 . 1 1 28 28 GLU CA C 28 55.550 55.550 55.202 0.348 19910 10263 1 20 . 1 1 28 28 GLU CB C 28 30.620 30.620 30.997 -0.377 19910 10264 1 20 . 1 1 28 28 GLU H H 28 7.400 7.400 7.719 -0.319 19910 10265 1 20 . 1 1 29 29 PHE N N 29 120.340 120.340 120.049 0.291 19910 10266 1 20 . 1 1 29 29 PHE HA H 29 4.487 4.487 4.541 -0.054 19910 10267 1 20 . 1 1 29 29 PHE C C 29 174.580 174.580 175.384 -0.804 19910 10268 1 20 . 1 1 29 29 PHE CA C 29 55.790 55.790 54.847 0.943 19910 10269 1 20 . 1 1 29 29 PHE CB C 29 39.690 39.690 39.672 0.018 19910 10270 1 20 . 1 1 29 29 PHE H H 29 7.820 7.820 7.554 0.266 19910 10271 1 20 . 1 1 30 30 ASP N N 30 123.670 123.670 121.324 2.346 19910 10272 1 20 . 1 1 30 30 ASP HA H 30 4.817 4.817 4.707 0.110 19910 10273 1 20 . 1 1 30 30 ASP C C 30 174.040 174.040 174.148 -0.108 19910 10274 1 20 . 1 1 30 30 ASP CA C 30 53.850 53.850 53.257 0.593 19910 10275 1 20 . 1 1 30 30 ASP CB C 30 43.450 43.450 42.716 0.734 19910 10276 1 20 . 1 1 30 30 ASP H H 30 8.420 8.420 8.367 0.053 19910 10277 1 20 . 1 1 31 31 VAL N N 31 123.010 123.010 124.559 -1.549 19910 10278 1 20 . 1 1 31 31 VAL HA H 31 4.768 4.768 4.267 0.501 19910 10279 1 20 . 1 1 31 31 VAL C C 31 173.980 173.980 174.920 -0.940 19910 10280 1 20 . 1 1 31 31 VAL CA C 31 60.510 60.510 61.480 -0.970 19910 10281 1 20 . 1 1 31 31 VAL CB C 31 34.730 34.730 32.834 1.896 19910 10282 1 20 . 1 1 31 31 VAL H H 31 8.270 8.270 8.263 0.007 19910 10283 1 20 . 1 1 32 32 TYR N N 32 127.340 127.340 127.937 -0.597 19910 10284 1 20 . 1 1 32 32 TYR HA H 32 4.624 4.624 4.816 -0.192 19910 10285 1 20 . 1 1 32 32 TYR C C 32 172.990 172.990 174.160 -1.170 19910 10286 1 20 . 1 1 32 32 TYR CA C 32 56.520 56.520 56.996 -0.476 19910 10287 1 20 . 1 1 32 32 TYR CB C 32 41.870 41.870 40.521 1.349 19910 10288 1 20 . 1 1 32 32 TYR H H 32 8.920 8.920 8.779 0.141 19910 10289 1 20 . 1 1 33 33 PHE N N 33 121.160 121.160 121.201 -0.041 19910 10290 1 20 . 1 1 33 33 PHE HA H 33 5.106 5.106 5.342 -0.236 19910 10291 1 20 . 1 1 33 33 PHE C C 33 173.100 173.100 174.780 -1.680 19910 10292 1 20 . 1 1 33 33 PHE CA C 33 55.310 55.310 55.430 -0.120 19910 10293 1 20 . 1 1 33 33 PHE CB C 33 40.420 40.420 41.615 -1.196 19910 10294 1 20 . 1 1 33 33 PHE H H 33 7.510 7.510 8.696 -1.186 19910 10295 1 20 . 1 1 34 34 GLU N N 34 120.460 120.460 123.016 -2.556 19910 10296 1 20 . 1 1 34 34 GLU HA H 34 4.099 4.099 4.691 -0.592 19910 10297 1 20 . 1 1 34 34 GLU C C 34 175.700 175.700 176.141 -0.441 19910 10298 1 20 . 1 1 34 34 GLU CA C 34 56.640 56.640 55.071 1.569 19910 10299 1 20 . 1 1 34 34 GLU CB C 34 31.340 31.340 30.409 0.931 19910 10300 1 20 . 1 1 34 34 GLU H H 34 8.190 8.190 9.097 -0.907 19910 10301 1 20 . 1 1 35 35 GLY N N 35 117.400 117.400 115.485 1.915 19910 10302 1 20 . 1 1 35 35 GLY C C 35 173.120 173.120 174.999 -1.879 19910 10303 1 20 . 1 1 35 35 GLY CA C 35 47.680 47.680 45.990 1.690 19910 10304 1 20 . 1 1 35 35 GLY H H 35 9.240 9.240 8.309 0.931 19910 10305 1 20 . 1 1 36 36 SER N N 36 122.510 122.510 117.534 4.976 19910 10306 1 20 . 1 1 36 36 SER HA H 36 4.795 4.795 4.185 0.610 19910 10307 1 20 . 1 1 36 36 SER C C 36 172.680 172.680 174.511 -1.831 19910 10308 1 20 . 1 1 36 36 SER CA C 36 57.360 57.360 59.824 -2.464 19910 10309 1 20 . 1 1 36 36 SER CB C 36 64.500 64.500 62.945 1.555 19910 10310 1 20 . 1 1 36 36 SER H H 36 8.930 8.930 8.564 0.366 19910 10311 1 20 . 1 1 37 37 ASP N N 37 123.120 123.120 123.233 -0.113 19910 10312 1 20 . 1 1 37 37 ASP HA H 37 5.192 5.192 4.886 0.306 19910 10313 1 20 . 1 1 37 37 ASP C C 37 174.170 174.170 173.933 0.237 19910 10314 1 20 . 1 1 37 37 ASP CA C 37 54.340 54.340 54.191 0.149 19910 10315 1 20 . 1 1 37 37 ASP CB C 37 43.810 43.810 41.844 1.966 19910 10316 1 20 . 1 1 37 37 ASP H H 37 8.600 8.600 7.801 0.799 19910 10317 1 20 . 1 1 38 38 PHE N N 38 122.850 122.850 127.589 -4.739 19910 10318 1 20 . 1 1 38 38 PHE HA H 38 5.053 5.053 5.233 -0.180 19910 10319 1 20 . 1 1 38 38 PHE C C 38 172.810 172.810 172.878 -0.068 19910 10320 1 20 . 1 1 38 38 PHE CA C 38 57.000 57.000 56.450 0.549 19910 10321 1 20 . 1 1 38 38 PHE CB C 38 43.080 43.080 42.499 0.581 19910 10322 1 20 . 1 1 38 38 PHE H H 38 8.340 8.340 8.637 -0.297 19910 10323 1 20 . 1 1 39 39 LYS N N 39 126.630 126.630 127.785 -1.155 19910 10324 1 20 . 1 1 39 39 LYS HA H 39 4.816 4.816 4.938 -0.122 19910 10325 1 20 . 1 1 39 39 LYS C C 39 172.540 172.540 174.070 -1.530 19910 10326 1 20 . 1 1 39 39 LYS CA C 39 54.890 54.890 54.110 0.780 19910 10327 1 20 . 1 1 39 39 LYS CB C 39 36.790 36.790 34.729 2.061 19910 10328 1 20 . 1 1 39 39 LYS H H 39 8.690 8.690 8.662 0.028 19910 10329 1 20 . 1 1 40 40 PHE N N 40 123.910 123.910 125.346 -1.436 19910 10330 1 20 . 1 1 40 40 PHE HA H 40 4.923 4.923 5.201 -0.278 19910 10331 1 20 . 1 1 40 40 PHE C C 40 171.900 171.900 173.103 -1.203 19910 10332 1 20 . 1 1 40 40 PHE CA C 40 55.910 55.910 55.577 0.333 19910 10333 1 20 . 1 1 40 40 PHE CB C 40 43.450 43.450 42.542 0.908 19910 10334 1 20 . 1 1 40 40 PHE H H 40 8.750 8.750 8.923 -0.173 19910 10335 1 20 . 1 1 41 41 TYR N N 41 126.490 126.490 128.209 -1.719 19910 10336 1 20 . 1 1 41 41 TYR HA H 41 4.958 4.958 4.888 0.070 19910 10337 1 20 . 1 1 41 41 TYR C C 41 173.070 173.070 174.117 -1.047 19910 10338 1 20 . 1 1 41 41 TYR CA C 41 55.670 55.670 55.806 -0.136 19910 10339 1 20 . 1 1 41 41 TYR CB C 41 41.510 41.510 38.684 2.826 19910 10340 1 20 . 1 1 41 41 TYR H H 41 8.450 8.450 8.441 0.009 19910 10341 1 20 . 1 1 42 42 ALA N N 42 129.720 129.720 126.676 3.044 19910 10342 1 20 . 1 1 42 42 ALA HA H 42 4.024 4.024 4.864 -0.840 19910 10343 1 20 . 1 1 42 42 ALA C C 42 174.350 174.350 175.717 -1.367 19910 10344 1 20 . 1 1 42 42 ALA CA C 42 51.190 51.190 50.971 0.219 19910 10345 1 20 . 1 1 42 42 ALA CB C 42 20.330 20.330 21.537 -1.207 19910 10346 1 20 . 1 1 42 42 ALA H H 42 7.970 7.970 8.681 -0.711 19910 10347 1 20 . 1 1 43 43 LYS N N 43 124.250 124.250 121.981 2.269 19910 10348 1 20 . 1 1 43 43 LYS HA H 43 3.634 3.634 4.027 -0.393 19910 10349 1 20 . 1 1 43 43 LYS CA C 43 56.260 56.260 57.637 -1.377 19910 10350 1 20 . 1 1 43 43 LYS CB C 43 32.860 32.860 29.229 3.631 19910 10351 1 20 . 1 1 43 43 LYS H H 43 7.850 7.850 8.537 -0.687 19910 10352 1 20 . 1 1 44 44 PRO HA H 44 4.487 4.487 4.239 0.248 19910 10353 1 20 . 1 1 44 44 PRO C C 44 173.980 173.980 176.781 -2.801 19910 10354 1 20 . 1 1 44 44 PRO CA C 44 64.380 64.380 64.478 -0.098 19910 10355 1 20 . 1 1 44 44 PRO CB C 44 34.010 34.010 31.764 2.246 19910 10356 1 20 . 1 1 45 45 TYR N N 45 126.840 126.840 118.287 8.553 19910 10357 1 20 . 1 1 45 45 TYR HA H 45 5.274 5.274 4.465 0.809 19910 10358 1 20 . 1 1 45 45 TYR C C 45 175.290 175.290 174.730 0.560 19910 10359 1 20 . 1 1 45 45 TYR CA C 45 58.330 58.330 58.804 -0.474 19910 10360 1 20 . 1 1 45 45 TYR CB C 45 40.300 40.300 37.946 2.354 19910 10361 1 20 . 1 1 45 45 TYR H H 45 9.360 9.360 7.683 1.677 19910 10362 1 20 . 1 1 46 46 PHE N N 46 121.470 121.470 126.190 -4.720 19910 10363 1 20 . 1 1 46 46 PHE HA H 46 5.422 5.422 5.457 -0.035 19910 10364 1 20 . 1 1 46 46 PHE C C 46 173.180 173.180 173.868 -0.688 19910 10365 1 20 . 1 1 46 46 PHE CA C 46 56.520 56.520 55.699 0.821 19910 10366 1 20 . 1 1 46 46 PHE CB C 46 43.930 43.930 41.635 2.295 19910 10367 1 20 . 1 1 46 46 PHE H H 46 8.870 8.870 8.588 0.282 19910 10368 1 20 . 1 1 47 47 LEU N N 47 129.700 129.700 130.756 -1.056 19910 10369 1 20 . 1 1 47 47 LEU HA H 47 4.565 4.565 4.352 0.213 19910 10370 1 20 . 1 1 47 47 LEU C C 47 171.770 171.770 174.323 -2.553 19910 10371 1 20 . 1 1 47 47 LEU CA C 47 53.130 53.130 53.691 -0.561 19910 10372 1 20 . 1 1 47 47 LEU CB C 47 47.560 47.560 44.846 2.714 19910 10373 1 20 . 1 1 47 47 LEU H H 47 8.850 8.850 9.086 -0.236 19910 10374 1 20 . 1 1 48 48 ARG N N 48 127.760 127.760 126.909 0.851 19910 10375 1 20 . 1 1 48 48 ARG HA H 48 5.283 5.283 5.085 0.198 19910 10376 1 20 . 1 1 48 48 ARG C C 48 174.090 174.090 174.481 -0.391 19910 10377 1 20 . 1 1 48 48 ARG CA C 48 54.100 54.100 54.752 -0.652 19910 10378 1 20 . 1 1 48 48 ARG CB C 48 33.160 33.160 31.466 1.694 19910 10379 1 20 . 1 1 48 48 ARG H H 48 8.620 8.620 8.136 0.484 19910 10380 1 20 . 1 1 49 49 LEU N N 49 122.890 122.890 128.581 -5.691 19910 10381 1 20 . 1 1 49 49 LEU HA H 49 4.855 4.855 4.727 0.128 19910 10382 1 20 . 1 1 49 49 LEU C C 49 175.880 175.880 175.359 0.521 19910 10383 1 20 . 1 1 49 49 LEU CA C 49 52.880 52.880 54.072 -1.192 19910 10384 1 20 . 1 1 49 49 LEU CB C 49 47.800 47.800 46.081 1.719 19910 10385 1 20 . 1 1 49 49 LEU H H 49 8.970 8.970 9.072 -0.102 19910 10386 1 20 . 1 1 50 50 THR N N 50 118.610 118.610 119.019 -0.409 19910 10387 1 20 . 1 1 50 50 THR HA H 50 4.862 4.862 5.010 -0.148 19910 10388 1 20 . 1 1 50 50 THR C C 50 174.610 174.610 174.515 0.095 19910 10389 1 20 . 1 1 50 50 THR CA C 50 61.110 61.110 61.374 -0.264 19910 10390 1 20 . 1 1 50 50 THR CB C 50 69.220 69.220 68.599 0.621 19910 10391 1 20 . 1 1 50 50 THR H H 50 8.670 8.670 8.374 0.296 19910 10392 1 20 . 1 1 51 51 LEU N N 51 126.300 126.300 128.432 -2.132 19910 10393 1 20 . 1 1 51 51 LEU HA H 51 4.302 4.302 4.230 0.072 19910 10394 1 20 . 1 1 51 51 LEU CA C 51 52.650 52.650 53.996 -1.346 19910 10395 1 20 . 1 1 51 51 LEU CB C 51 41.950 41.950 41.200 0.750 19910 10396 1 20 . 1 1 51 51 LEU H H 51 9.540 9.540 8.612 0.928 19910 10397 1 20 . 1 1 52 52 PRO HA H 52 4.401 4.401 4.215 0.186 19910 10398 1 20 . 1 1 52 52 PRO C C 52 174.240 174.240 176.534 -2.294 19910 10399 1 20 . 1 1 52 52 PRO CA C 52 62.690 62.690 64.092 -1.402 19910 10400 1 20 . 1 1 52 52 PRO CB C 52 30.620 30.620 32.026 -1.406 19910 10401 1 20 . 1 1 53 53 GLY N N 53 105.990 105.990 105.295 0.695 19910 10402 1 20 . 1 1 53 53 GLY C C 53 170.520 170.520 172.781 -2.261 19910 10403 1 20 . 1 1 53 53 GLY CA C 53 43.450 43.450 43.798 -0.348 19910 10404 1 20 . 1 1 53 53 GLY H H 53 6.550 6.550 6.707 -0.157 19910 10405 1 20 . 1 1 54 54 ARG N N 54 115.660 115.660 118.156 -2.496 19910 10406 1 20 . 1 1 54 54 ARG HA H 54 4.347 4.347 4.648 -0.301 19910 10407 1 20 . 1 1 54 54 ARG C C 54 176.940 176.940 174.576 2.364 19910 10408 1 20 . 1 1 54 54 ARG CA C 54 55.890 55.890 55.483 0.407 19910 10409 1 20 . 1 1 54 54 ARG CB C 54 32.310 32.310 34.896 -2.586 19910 10410 1 20 . 1 1 54 54 ARG H H 54 8.210 8.210 8.280 -0.070 19910 10411 1 20 . 1 1 55 55 ILE N N 55 118.910 118.910 123.248 -4.338 19910 10412 1 20 . 1 1 55 55 ILE HA H 55 5.003 5.003 4.637 0.366 19910 10413 1 20 . 1 1 55 55 ILE C C 55 175.310 175.310 175.447 -0.137 19910 10414 1 20 . 1 1 55 55 ILE CA C 55 58.500 58.500 58.769 -0.269 19910 10415 1 20 . 1 1 55 55 ILE CB C 55 40.950 40.950 39.624 1.326 19910 10416 1 20 . 1 1 55 55 ILE H H 55 8.640 8.640 8.572 0.068 19910 10417 1 20 . 1 1 56 56 VAL N N 56 118.140 118.140 125.642 -7.502 19910 10418 1 20 . 1 1 56 56 VAL HA H 56 4.438 4.438 3.986 0.452 19910 10419 1 20 . 1 1 56 56 VAL C C 56 172.920 172.920 175.020 -2.100 19910 10420 1 20 . 1 1 56 56 VAL CA C 56 60.510 60.510 63.296 -2.786 19910 10421 1 20 . 1 1 56 56 VAL CB C 56 34.850 34.850 32.865 1.985 19910 10422 1 20 . 1 1 56 56 VAL H H 56 8.330 8.330 7.914 0.416 19910 10423 1 20 . 1 1 57 57 GLU N N 57 123.300 123.300 128.456 -5.156 19910 10424 1 20 . 1 1 57 57 GLU HA H 57 4.358 4.358 4.803 -0.445 19910 10425 1 20 . 1 1 57 57 GLU C C 57 176.350 176.350 175.282 1.068 19910 10426 1 20 . 1 1 57 57 GLU CA C 57 55.890 55.890 56.154 -0.264 19910 10427 1 20 . 1 1 57 57 GLU CB C 57 29.880 29.880 30.639 -0.759 19910 10428 1 20 . 1 1 57 57 GLU H H 57 8.380 8.380 8.723 -0.343 19910 10429 1 20 . 1 1 58 58 ASN N N 58 121.570 121.570 125.210 -3.640 19910 10430 1 20 . 1 1 58 58 ASN HA H 58 4.764 4.764 4.862 -0.098 19910 10431 1 20 . 1 1 58 58 ASN C C 58 176.120 176.120 175.067 1.053 19910 10432 1 20 . 1 1 58 58 ASN CA C 58 52.760 52.760 53.957 -1.197 19910 10433 1 20 . 1 1 58 58 ASN CB C 58 38.970 38.970 39.447 -0.477 19910 10434 1 20 . 1 1 58 58 ASN H H 58 8.360 8.360 9.083 -0.723 19910 10435 1 20 . 1 1 59 59 GLY N N 59 112.050 112.050 109.237 2.813 19910 10436 1 20 . 1 1 59 59 GLY C C 59 174.840 174.840 174.466 0.374 19910 10437 1 20 . 1 1 59 59 GLY CA C 59 45.380 45.380 45.628 -0.248 19910 10438 1 20 . 1 1 59 59 GLY H H 59 9.350 9.350 8.670 0.680 19910 10439 1 20 . 1 1 60 60 SER N N 60 115.430 115.430 119.768 -4.338 19910 10440 1 20 . 1 1 60 60 SER HA H 60 4.536 4.536 4.376 0.160 19910 10441 1 20 . 1 1 60 60 SER C C 60 174.140 174.140 173.762 0.378 19910 10442 1 20 . 1 1 60 60 SER CA C 60 58.810 58.810 59.539 -0.730 19910 10443 1 20 . 1 1 60 60 SER CB C 60 64.140 64.140 63.557 0.583 19910 10444 1 20 . 1 1 60 60 SER H H 60 8.350 8.350 7.822 0.528 19910 10445 1 20 . 1 1 61 61 GLU N N 61 122.950 122.950 121.397 1.553 19910 10446 1 20 . 1 1 61 61 GLU HA H 61 4.525 4.525 4.644 -0.119 19910 10447 1 20 . 1 1 61 61 GLU C C 61 175.550 175.550 174.727 0.823 19910 10448 1 20 . 1 1 61 61 GLU CA C 61 56.520 56.520 55.840 0.680 19910 10449 1 20 . 1 1 61 61 GLU CB C 61 29.530 29.530 31.984 -2.454 19910 10450 1 20 . 1 1 61 61 GLU H H 61 8.910 8.910 8.169 0.741 19910 10451 1 20 . 1 1 62 62 GLN N N 62 120.280 120.280 119.495 0.785 19910 10452 1 20 . 1 1 62 62 GLN HA H 62 4.601 4.601 4.663 -0.062 19910 10453 1 20 . 1 1 62 62 GLN C C 62 175.700 175.700 174.241 1.459 19910 10454 1 20 . 1 1 62 62 GLN CA C 62 55.430 55.430 55.646 -0.216 19910 10455 1 20 . 1 1 62 62 GLN CB C 62 31.340 31.340 33.222 -1.883 19910 10456 1 20 . 1 1 62 62 GLN H H 62 8.310 8.310 8.537 -0.227 19910 10457 1 20 . 1 1 63 63 GLY N N 63 111.400 111.400 109.163 2.237 19910 10458 1 20 . 1 1 63 63 GLY C C 63 172.550 172.550 173.165 -0.615 19910 10459 1 20 . 1 1 63 63 GLY CA C 63 44.690 44.690 44.727 -0.037 19910 10460 1 20 . 1 1 63 63 GLY H H 63 8.880 8.880 8.482 0.398 19910 10461 1 20 . 1 1 64 64 SER N N 64 115.080 115.080 119.348 -4.268 19910 10462 1 20 . 1 1 64 64 SER HA H 64 4.629 4.629 4.872 -0.243 19910 10463 1 20 . 1 1 64 64 SER C C 64 171.770 171.770 173.354 -1.584 19910 10464 1 20 . 1 1 64 64 SER CA C 64 57.120 57.120 57.641 -0.521 19910 10465 1 20 . 1 1 64 64 SER CB C 64 65.230 65.230 65.312 -0.082 19910 10466 1 20 . 1 1 64 64 SER H H 64 8.280 8.280 9.062 -0.782 19910 10467 1 20 . 1 1 65 65 TYR N N 65 124.640 124.640 128.674 -4.034 19910 10468 1 20 . 1 1 65 65 TYR HA H 65 5.198 5.198 5.303 -0.105 19910 10469 1 20 . 1 1 65 65 TYR C C 65 173.640 173.640 174.680 -1.040 19910 10470 1 20 . 1 1 65 65 TYR CA C 65 55.670 55.670 56.947 -1.277 19910 10471 1 20 . 1 1 65 65 TYR CB C 65 40.900 40.900 39.736 1.164 19910 10472 1 20 . 1 1 65 65 TYR H H 65 8.980 8.980 8.927 0.053 19910 10473 1 20 . 1 1 66 66 ASP N N 66 128.570 128.570 128.803 -0.233 19910 10474 1 20 . 1 1 66 66 ASP HA H 66 4.532 4.532 4.696 -0.164 19910 10475 1 20 . 1 1 66 66 ASP C C 66 175.340 175.340 175.166 0.174 19910 10476 1 20 . 1 1 66 66 ASP CA C 66 51.800 51.800 51.812 -0.012 19910 10477 1 20 . 1 1 66 66 ASP CB C 66 41.510 41.510 42.678 -1.168 19910 10478 1 20 . 1 1 66 66 ASP H H 66 8.000 8.000 8.222 -0.222 19910 10479 1 20 . 1 1 67 67 ALA N N 67 127.520 127.520 129.551 -2.031 19910 10480 1 20 . 1 1 67 67 ALA HA H 67 3.597 3.597 3.843 -0.246 19910 10481 1 20 . 1 1 67 67 ALA C C 67 178.770 178.770 178.523 0.247 19910 10482 1 20 . 1 1 67 67 ALA CA C 67 53.850 53.850 54.635 -0.785 19910 10483 1 20 . 1 1 67 67 ALA CB C 67 18.640 18.640 18.643 -0.003 19910 10484 1 20 . 1 1 67 67 ALA H H 67 8.460 8.460 8.484 -0.024 19910 10485 1 20 . 1 1 68 68 ASP N N 68 117.850 117.850 117.714 0.136 19910 10486 1 20 . 1 1 68 68 ASP HA H 68 4.340 4.340 4.414 -0.074 19910 10487 1 20 . 1 1 68 68 ASP C C 68 177.780 177.780 177.798 -0.018 19910 10488 1 20 . 1 1 68 68 ASP CA C 68 56.760 56.760 56.422 0.338 19910 10489 1 20 . 1 1 68 68 ASP CB C 68 40.900 40.900 40.937 -0.037 19910 10490 1 20 . 1 1 68 68 ASP H H 68 7.980 7.980 8.335 -0.355 19910 10491 1 20 . 1 1 69 69 LYS N N 69 115.790 115.790 118.096 -2.306 19910 10492 1 20 . 1 1 69 69 LYS HA H 69 4.119 4.119 4.154 -0.035 19910 10493 1 20 . 1 1 69 69 LYS C C 69 177.130 177.130 177.010 0.120 19910 10494 1 20 . 1 1 69 69 LYS CA C 69 56.150 56.150 56.592 -0.442 19910 10495 1 20 . 1 1 69 69 LYS CB C 69 34.010 34.010 33.031 0.980 19910 10496 1 20 . 1 1 69 69 LYS H H 69 7.390 7.390 7.953 -0.563 19910 10497 1 20 . 1 1 70 70 GLY N N 70 110.040 110.040 107.513 2.527 19910 10498 1 20 . 1 1 70 70 GLY C C 70 174.040 174.040 173.307 0.733 19910 10499 1 20 . 1 1 70 70 GLY CA C 70 46.830 46.830 45.525 1.305 19910 10500 1 20 . 1 1 70 70 GLY H H 70 8.030 8.030 7.691 0.339 19910 10501 1 20 . 1 1 71 71 ILE N N 71 115.810 115.810 119.049 -3.239 19910 10502 1 20 . 1 1 71 71 ILE HA H 71 4.861 4.861 4.400 0.461 19910 10503 1 20 . 1 1 71 71 ILE C C 71 175.520 175.520 173.619 1.901 19910 10504 1 20 . 1 1 71 71 ILE CA C 71 59.420 59.420 60.888 -1.468 19910 10505 1 20 . 1 1 71 71 ILE CB C 71 42.240 42.240 41.937 0.303 19910 10506 1 20 . 1 1 71 71 ILE H H 71 6.990 6.990 7.925 -0.935 19910 10507 1 20 . 1 1 72 72 PHE N N 72 132.630 132.630 129.166 3.464 19910 10508 1 20 . 1 1 72 72 PHE HA H 72 5.377 5.377 5.651 -0.274 19910 10509 1 20 . 1 1 72 72 PHE C C 72 173.310 173.310 173.797 -0.487 19910 10510 1 20 . 1 1 72 72 PHE CA C 72 56.150 56.150 54.934 1.216 19910 10511 1 20 . 1 1 72 72 PHE CB C 72 41.630 41.630 41.972 -0.342 19910 10512 1 20 . 1 1 72 72 PHE H H 72 9.720 9.720 9.059 0.661 19910 10513 1 20 . 1 1 73 73 THR N N 73 124.190 124.190 124.585 -0.395 19910 10514 1 20 . 1 1 73 73 THR HA H 73 5.047 5.047 5.018 0.029 19910 10515 1 20 . 1 1 73 73 THR C C 73 172.660 172.660 172.522 0.138 19910 10516 1 20 . 1 1 73 73 THR CA C 73 61.480 61.480 60.649 0.831 19910 10517 1 20 . 1 1 73 73 THR CB C 73 69.950 69.950 70.882 -0.932 19910 10518 1 20 . 1 1 73 73 THR H H 73 8.610 8.610 8.687 -0.077 19910 10519 1 20 . 1 1 74 74 ILE N N 74 125.780 125.780 125.634 0.146 19910 10520 1 20 . 1 1 74 74 ILE HA H 74 4.557 4.557 5.045 -0.488 19910 10521 1 20 . 1 1 74 74 ILE C C 74 171.480 171.480 173.573 -2.093 19910 10522 1 20 . 1 1 74 74 ILE CA C 74 59.060 59.060 59.625 -0.565 19910 10523 1 20 . 1 1 74 74 ILE CB C 74 41.510 41.510 41.846 -0.336 19910 10524 1 20 . 1 1 74 74 ILE H H 74 8.850 8.850 8.282 0.568 19910 10525 1 20 . 1 1 75 75 ARG N N 75 127.330 127.330 128.018 -0.688 19910 10526 1 20 . 1 1 75 75 ARG HA H 75 4.859 4.859 4.601 0.258 19910 10527 1 20 . 1 1 75 75 ARG C C 75 174.790 174.790 174.868 -0.078 19910 10528 1 20 . 1 1 75 75 ARG CA C 75 54.460 54.460 55.220 -0.760 19910 10529 1 20 . 1 1 75 75 ARG CB C 75 31.460 31.460 31.463 -0.003 19910 10530 1 20 . 1 1 75 75 ARG H H 75 8.320 8.320 8.750 -0.430 19910 10531 1 20 . 1 1 76 76 LEU N N 76 125.120 125.120 122.171 2.949 19910 10532 1 20 . 1 1 76 76 LEU HA H 76 4.819 4.819 4.858 -0.039 19910 10533 1 20 . 1 1 76 76 LEU CA C 76 50.530 50.530 52.014 -1.484 19910 10534 1 20 . 1 1 76 76 LEU CB C 76 43.070 43.070 45.150 -2.080 19910 10535 1 20 . 1 1 76 76 LEU H H 76 9.300 9.300 8.126 1.174 19910 10536 1 20 . 1 1 77 77 PRO HA H 77 4.114 4.114 4.638 -0.524 19910 10537 1 20 . 1 1 77 77 PRO C C 77 176.430 176.430 176.387 0.043 19910 10538 1 20 . 1 1 77 77 PRO CA C 77 62.080 62.080 61.892 0.188 19910 10539 1 20 . 1 1 77 77 PRO CB C 77 31.220 31.220 32.516 -1.296 19910 10540 1 20 . 1 1 78 78 LYS N N 78 122.800 122.800 120.178 2.622 19910 10541 1 20 . 1 1 78 78 LYS HA H 78 4.062 4.062 4.409 -0.347 19910 10542 1 20 . 1 1 78 78 LYS C C 78 176.590 176.590 176.691 -0.101 19910 10543 1 20 . 1 1 78 78 LYS CA C 78 57.730 57.730 54.718 3.012 19910 10544 1 20 . 1 1 78 78 LYS CB C 78 32.800 32.800 34.166 -1.366 19910 10545 1 20 . 1 1 78 78 LYS H H 78 7.790 7.790 7.822 -0.032 19910 10546 1 20 . 1 1 79 79 GLU N N 79 124.540 124.540 122.779 1.761 19910 10547 1 20 . 1 1 79 79 GLU HA H 79 3.689 3.689 4.277 -0.588 19910 10548 1 20 . 1 1 79 79 GLU C C 79 176.300 176.300 175.822 0.478 19910 10549 1 20 . 1 1 79 79 GLU CA C 79 59.420 59.420 57.779 1.641 19910 10550 1 20 . 1 1 79 79 GLU CB C 79 30.500 30.500 30.240 0.260 19910 10551 1 20 . 1 1 79 79 GLU H H 79 8.520 8.520 8.819 -0.299 19910 10552 1 20 . 1 1 80 80 THR N N 80 115.960 115.960 115.882 0.078 19910 10553 1 20 . 1 1 80 80 THR HA H 80 4.485 4.485 4.638 -0.153 19910 10554 1 20 . 1 1 80 80 THR CA C 80 59.120 59.120 59.418 -0.298 19910 10555 1 20 . 1 1 80 80 THR CB C 80 69.330 69.330 70.133 -0.803 19910 10556 1 20 . 1 1 80 80 THR H H 80 9.070 9.070 7.645 1.425 19910 10557 1 20 . 1 1 81 81 PRO HA H 81 4.070 4.070 4.151 -0.081 19910 10558 1 20 . 1 1 81 81 PRO C C 81 177.860 177.860 178.357 -0.497 19910 10559 1 20 . 1 1 81 81 PRO CA C 81 63.900 63.900 63.452 0.449 19910 10560 1 20 . 1 1 81 81 PRO CB C 81 31.460 31.460 31.927 -0.467 19910 10561 1 20 . 1 1 82 82 GLY N N 82 113.580 113.580 108.669 4.911 19910 10562 1 20 . 1 1 82 82 GLY C C 82 174.870 174.870 173.950 0.920 19910 10563 1 20 . 1 1 82 82 GLY CA C 82 45.140 45.140 44.947 0.193 19910 10564 1 20 . 1 1 82 82 GLY H H 82 9.150 9.150 8.528 0.622 19910 10565 1 20 . 1 1 83 83 GLN N N 83 122.820 122.820 120.372 2.448 19910 10566 1 20 . 1 1 83 83 GLN HA H 83 4.159 4.159 4.366 -0.207 19910 10567 1 20 . 1 1 83 83 GLN C C 83 175.180 175.180 174.418 0.762 19910 10568 1 20 . 1 1 83 83 GLN CA C 83 56.390 56.390 55.371 1.019 19910 10569 1 20 . 1 1 83 83 GLN CB C 83 29.410 29.410 30.596 -1.186 19910 10570 1 20 . 1 1 83 83 GLN H H 83 7.960 7.960 7.393 0.567 19910 10571 1 20 . 1 1 84 84 HIS N N 84 131.340 131.340 124.367 6.973 19910 10572 1 20 . 1 1 84 84 HIS HA H 84 4.299 4.299 4.922 -0.623 19910 10573 1 20 . 1 1 84 84 HIS C C 84 175.300 175.300 174.186 1.114 19910 10574 1 20 . 1 1 84 84 HIS CA C 84 56.640 56.640 53.498 3.142 19910 10575 1 20 . 1 1 84 84 HIS CB C 84 30.980 30.980 32.117 -1.137 19910 10576 1 20 . 1 1 84 84 HIS H H 84 9.220 9.220 8.599 0.621 19910 10577 1 20 . 1 1 85 85 PHE N N 85 130.320 130.320 126.670 3.650 19910 10578 1 20 . 1 1 85 85 PHE HA H 85 4.722 4.722 4.447 0.275 19910 10579 1 20 . 1 1 85 85 PHE C C 85 174.890 174.890 175.489 -0.599 19910 10580 1 20 . 1 1 85 85 PHE CA C 85 54.580 54.580 55.700 -1.120 19910 10581 1 20 . 1 1 85 85 PHE CB C 85 36.430 36.430 37.400 -0.970 19910 10582 1 20 . 1 1 85 85 PHE H H 85 9.130 9.130 9.036 0.094 19910 10583 1 20 . 1 1 86 86 GLU N N 86 126.010 126.010 123.606 2.404 19910 10584 1 20 . 1 1 86 86 GLU HA H 86 4.199 4.199 3.926 0.273 19910 10585 1 20 . 1 1 86 86 GLU C C 86 177.000 177.000 177.452 -0.452 19910 10586 1 20 . 1 1 86 86 GLU CA C 86 55.910 55.910 56.278 -0.368 19910 10587 1 20 . 1 1 86 86 GLU CB C 86 30.620 30.620 30.644 -0.024 19910 10588 1 20 . 1 1 86 86 GLU H H 86 8.900 8.900 7.744 1.156 19910 10589 1 20 . 1 1 87 87 GLY N N 87 108.540 108.540 107.897 0.643 19910 10590 1 20 . 1 1 87 87 GLY C C 87 177.370 177.370 175.415 1.955 19910 10591 1 20 . 1 1 87 87 GLY CA C 87 46.590 46.590 46.275 0.315 19910 10592 1 20 . 1 1 87 87 GLY H H 87 8.610 8.610 8.666 -0.056 19910 10593 1 20 . 1 1 88 88 LEU N N 88 119.830 119.830 119.888 -0.058 19910 10594 1 20 . 1 1 88 88 LEU HA H 88 3.775 3.775 4.025 -0.250 19910 10595 1 20 . 1 1 88 88 LEU C C 88 177.500 177.500 178.454 -0.954 19910 10596 1 20 . 1 1 88 88 LEU CA C 88 57.850 57.850 57.580 0.270 19910 10597 1 20 . 1 1 88 88 LEU CB C 88 40.780 40.780 41.978 -1.198 19910 10598 1 20 . 1 1 88 88 LEU H H 88 8.370 8.370 7.973 0.397 19910 10599 1 20 . 1 1 89 89 ASN N N 89 112.390 112.390 115.389 -2.999 19910 10600 1 20 . 1 1 89 89 ASN HA H 89 4.524 4.524 4.689 -0.165 19910 10601 1 20 . 1 1 89 89 ASN C C 89 175.440 175.440 175.042 0.398 19910 10602 1 20 . 1 1 89 89 ASN CA C 89 54.340 54.340 54.124 0.216 19910 10603 1 20 . 1 1 89 89 ASN CB C 89 37.030 37.030 38.181 -1.151 19910 10604 1 20 . 1 1 89 89 ASN H H 89 8.470 8.470 8.370 0.100 19910 10605 1 20 . 1 1 90 90 MET N N 90 117.460 117.460 116.255 1.205 19910 10606 1 20 . 1 1 90 90 MET HA H 90 4.626 4.626 4.448 0.178 19910 10607 1 20 . 1 1 90 90 MET C C 90 176.040 176.040 176.958 -0.918 19910 10608 1 20 . 1 1 90 90 MET CA C 90 54.340 54.340 55.576 -1.236 19910 10609 1 20 . 1 1 90 90 MET CB C 90 32.550 32.550 33.579 -1.029 19910 10610 1 20 . 1 1 90 90 MET H H 90 7.460 7.460 7.276 0.184 19910 10611 1 20 . 1 1 91 91 LEU N N 91 121.330 121.330 122.553 -1.223 19910 10612 1 20 . 1 1 91 91 LEU HA H 91 4.277 4.277 4.182 0.095 19910 10613 1 20 . 1 1 91 91 LEU C C 91 176.870 176.870 176.516 0.354 19910 10614 1 20 . 1 1 91 91 LEU CA C 91 56.390 56.390 56.517 -0.127 19910 10615 1 20 . 1 1 91 91 LEU CB C 91 42.480 42.480 42.351 0.129 19910 10616 1 20 . 1 1 91 91 LEU H H 91 7.280 7.280 7.935 -0.655 19910 10617 1 20 . 1 1 92 92 THR N N 92 113.970 113.970 113.222 0.748 19910 10618 1 20 . 1 1 92 92 THR HA H 92 4.582 4.582 4.513 0.069 19910 10619 1 20 . 1 1 92 92 THR C C 92 173.180 173.180 172.918 0.262 19910 10620 1 20 . 1 1 92 92 THR CA C 92 60.390 60.390 60.777 -0.387 19910 10621 1 20 . 1 1 92 92 THR CB C 92 71.160 71.160 70.420 0.740 19910 10622 1 20 . 1 1 92 92 THR H H 92 8.110 8.110 7.964 0.146 19910 10623 1 20 . 1 1 93 93 ALA N N 93 124.650 124.650 124.201 0.449 19910 10624 1 20 . 1 1 93 93 ALA HA H 93 4.245 4.245 4.891 -0.646 19910 10625 1 20 . 1 1 93 93 ALA C C 93 177.650 177.650 176.929 0.721 19910 10626 1 20 . 1 1 93 93 ALA CA C 93 52.640 52.640 51.406 1.234 19910 10627 1 20 . 1 1 93 93 ALA CB C 93 19.670 19.670 19.749 -0.079 19910 10628 1 20 . 1 1 93 93 ALA H H 93 8.430 8.430 8.338 0.092 19910 10629 1 20 . 1 1 94 94 LEU N N 94 123.150 123.150 121.563 1.587 19910 10630 1 20 . 1 1 94 94 LEU HA H 94 4.450 4.450 4.778 -0.328 19910 10631 1 20 . 1 1 94 94 LEU C C 94 177.420 177.420 176.485 0.935 19910 10632 1 20 . 1 1 94 94 LEU CA C 94 54.940 54.940 54.342 0.598 19910 10633 1 20 . 1 1 94 94 LEU CB C 94 42.480 42.480 42.613 -0.133 19910 10634 1 20 . 1 1 94 94 LEU H H 94 8.450 8.450 8.334 0.116 19910 10635 1 20 . 1 1 95 95 LEU N N 95 124.390 124.390 125.733 -1.343 19910 10636 1 20 . 1 1 95 95 LEU HA H 95 4.409 4.409 4.735 -0.326 19910 10637 1 20 . 1 1 95 95 LEU C C 95 175.990 175.990 176.893 -0.903 19910 10638 1 20 . 1 1 95 95 LEU CA C 95 55.060 55.060 54.833 0.227 19910 10639 1 20 . 1 1 95 95 LEU CB C 95 42.360 42.360 41.689 0.671 19910 10640 1 20 . 1 1 95 95 LEU H H 95 8.380 8.380 8.583 -0.203 19910 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 88 2.922 -0.102 2.937 19910 2 1 1 "Average Difference" HA 101 0.413 0.064 0.411 19910 3 1 1 "Average Difference" C 88 1.116 0.265 1.090 19910 4 1 1 "Average Difference" CA 94 1.001 -0.009 1.006 19910 5 1 1 "Average Difference" CB 87 1.256 -0.083 1.260 19910 6 1 1 "Average Difference" HN 88 0.559 -0.083 0.556 19910 7 1 2 "Average Difference" N 88 2.967 0.145 2.980 19910 8 1 2 "Average Difference" HA 101 0.421 0.111 0.409 19910 9 1 2 "Average Difference" C 88 1.116 0.280 1.087 19910 10 1 2 "Average Difference" CA 94 0.970 -0.088 0.972 19910 11 1 2 "Average Difference" CB 87 1.224 -0.099 1.227 19910 12 1 2 "Average Difference" HN 88 0.531 -0.110 0.522 19910 13 1 3 "Average Difference" N 88 3.203 0.154 3.218 19910 14 1 3 "Average Difference" HA 101 0.432 0.090 0.425 19910 15 1 3 "Average Difference" C 88 1.095 0.303 1.058 19910 16 1 3 "Average Difference" CA 94 0.992 -0.014 0.997 19910 17 1 3 "Average Difference" CB 87 1.281 -0.166 1.278 19910 18 1 3 "Average Difference" HN 88 0.537 -0.073 0.535 19910 19 1 4 "Average Difference" N 88 3.436 -0.042 3.456 19910 20 1 4 "Average Difference" HA 101 0.435 0.033 0.436 19910 21 1 4 "Average Difference" C 88 1.155 0.394 1.092 19910 22 1 4 "Average Difference" CA 94 1.130 0.007 1.136 19910 23 1 4 "Average Difference" CB 87 1.405 -0.380 1.360 19910 24 1 4 "Average Difference" HN 88 0.572 -0.096 0.567 19910 25 1 5 "Average Difference" N 88 3.180 -0.041 3.198 19910 26 1 5 "Average Difference" HA 101 0.420 0.093 0.412 19910 27 1 5 "Average Difference" C 88 1.103 0.332 1.057 19910 28 1 5 "Average Difference" CA 94 1.020 -0.097 1.021 19910 29 1 5 "Average Difference" CB 87 1.214 -0.190 1.206 19910 30 1 5 "Average Difference" HN 88 0.564 -0.068 0.563 19910 31 1 6 "Average Difference" N 88 3.323 -0.026 3.342 19910 32 1 6 "Average Difference" HA 101 0.422 0.082 0.416 19910 33 1 6 "Average Difference" C 88 1.111 0.279 1.081 19910 34 1 6 "Average Difference" CA 94 1.108 -0.113 1.108 19910 35 1 6 "Average Difference" CB 87 1.348 -0.194 1.342 19910 36 1 6 "Average Difference" HN 88 0.559 -0.094 0.554 19910 37 1 7 "Average Difference" N 88 3.171 -0.153 3.186 19910 38 1 7 "Average Difference" HA 101 0.380 0.044 0.380 19910 39 1 7 "Average Difference" C 88 1.093 0.313 1.053 19910 40 1 7 "Average Difference" CA 94 1.040 0.076 1.042 19910 41 1 7 "Average Difference" CB 87 1.330 -0.198 1.323 19910 42 1 7 "Average Difference" HN 88 0.546 -0.079 0.544 19910 43 1 8 "Average Difference" N 88 2.967 0.177 2.979 19910 44 1 8 "Average Difference" HA 101 0.416 0.052 0.414 19910 45 1 8 "Average Difference" C 88 1.080 0.327 1.035 19910 46 1 8 "Average Difference" CA 94 1.047 0.015 1.052 19910 47 1 8 "Average Difference" CB 87 1.319 -0.245 1.304 19910 48 1 8 "Average Difference" HN 88 0.561 -0.072 0.559 19910 49 1 9 "Average Difference" N 88 3.074 0.041 3.091 19910 50 1 9 "Average Difference" HA 101 0.387 0.058 0.385 19910 51 1 9 "Average Difference" C 88 1.125 0.321 1.084 19910 52 1 9 "Average Difference" CA 94 0.990 -0.036 0.995 19910 53 1 9 "Average Difference" CB 87 1.338 -0.264 1.320 19910 54 1 9 "Average Difference" HN 88 0.561 -0.098 0.556 19910 55 1 10 "Average Difference" N 88 3.160 -0.109 3.176 19910 56 1 10 "Average Difference" HA 101 0.396 0.075 0.391 19910 57 1 10 "Average Difference" C 88 1.098 0.356 1.044 19910 58 1 10 "Average Difference" CA 94 0.992 -0.039 0.997 19910 59 1 10 "Average Difference" CB 87 1.235 -0.140 1.234 19910 60 1 10 "Average Difference" HN 88 0.563 -0.084 0.560 19910 61 1 11 "Average Difference" N 88 3.195 -0.112 3.211 19910 62 1 11 "Average Difference" HA 101 0.431 0.063 0.428 19910 63 1 11 "Average Difference" C 88 1.124 0.345 1.076 19910 64 1 11 "Average Difference" CA 94 1.028 -0.028 1.033 19910 65 1 11 "Average Difference" CB 87 1.329 -0.205 1.321 19910 66 1 11 "Average Difference" HN 88 0.558 -0.104 0.551 19910 67 1 12 "Average Difference" N 88 3.079 0.114 3.094 19910 68 1 12 "Average Difference" HA 101 0.418 0.098 0.409 19910 69 1 12 "Average Difference" C 88 1.055 0.321 1.011 19910 70 1 12 "Average Difference" CA 94 1.069 -0.072 1.072 19910 71 1 12 "Average Difference" CB 87 1.259 -0.221 1.246 19910 72 1 12 "Average Difference" HN 88 0.583 -0.092 0.579 19910 73 1 13 "Average Difference" N 88 3.236 -0.157 3.251 19910 74 1 13 "Average Difference" HA 101 0.418 0.099 0.408 19910 75 1 13 "Average Difference" C 88 1.108 0.269 1.081 19910 76 1 13 "Average Difference" CA 94 1.022 -0.019 1.027 19910 77 1 13 "Average Difference" CB 87 1.184 -0.164 1.180 19910 78 1 13 "Average Difference" HN 88 0.563 -0.101 0.557 19910 79 1 14 "Average Difference" N 88 3.075 0.018 3.092 19910 80 1 14 "Average Difference" HA 101 0.406 0.036 0.407 19910 81 1 14 "Average Difference" C 88 1.084 0.348 1.033 19910 82 1 14 "Average Difference" CA 94 1.013 -0.002 1.019 19910 83 1 14 "Average Difference" CB 87 1.281 -0.305 1.251 19910 84 1 14 "Average Difference" HN 88 0.576 -0.124 0.566 19910 85 1 15 "Average Difference" N 88 2.950 0.287 2.953 19910 86 1 15 "Average Difference" HA 101 0.385 0.059 0.383 19910 87 1 15 "Average Difference" C 88 1.067 0.220 1.050 19910 88 1 15 "Average Difference" CA 94 1.105 0.029 1.110 19910 89 1 15 "Average Difference" CB 87 1.201 -0.191 1.193 19910 90 1 15 "Average Difference" HN 88 0.554 -0.025 0.556 19910 91 1 16 "Average Difference" N 88 2.998 0.289 3.001 19910 92 1 16 "Average Difference" HA 101 0.382 0.081 0.375 19910 93 1 16 "Average Difference" C 88 1.097 0.352 1.045 19910 94 1 16 "Average Difference" CA 94 0.988 -0.007 0.993 19910 95 1 16 "Average Difference" CB 87 1.176 -0.170 1.171 19910 96 1 16 "Average Difference" HN 88 0.518 -0.073 0.516 19910 97 1 17 "Average Difference" N 88 3.237 -0.225 3.248 19910 98 1 17 "Average Difference" HA 101 0.448 0.044 0.448 19910 99 1 17 "Average Difference" C 88 1.109 0.298 1.075 19910 100 1 17 "Average Difference" CA 94 1.106 -0.010 1.112 19910 101 1 17 "Average Difference" CB 87 1.390 -0.147 1.390 19910 102 1 17 "Average Difference" HN 88 0.584 -0.103 0.578 19910 103 1 18 "Average Difference" N 88 3.013 -0.089 3.029 19910 104 1 18 "Average Difference" HA 101 0.417 0.037 0.417 19910 105 1 18 "Average Difference" C 88 1.140 0.327 1.099 19910 106 1 18 "Average Difference" CA 94 1.053 -0.032 1.058 19910 107 1 18 "Average Difference" CB 87 1.215 -0.238 1.198 19910 108 1 18 "Average Difference" HN 88 0.564 -0.109 0.556 19910 109 1 19 "Average Difference" N 88 2.935 0.022 2.952 19910 110 1 19 "Average Difference" HA 101 0.406 0.061 0.403 19910 111 1 19 "Average Difference" C 88 1.114 0.329 1.071 19910 112 1 19 "Average Difference" CA 94 1.043 0.019 1.048 19910 113 1 19 "Average Difference" CB 87 1.234 -0.225 1.220 19910 114 1 19 "Average Difference" HN 88 0.559 -0.122 0.548 19910 115 1 20 "Average Difference" N 88 3.064 0.121 3.079 19910 116 1 20 "Average Difference" HA 101 0.412 0.049 0.411 19910 117 1 20 "Average Difference" C 88 1.128 0.313 1.090 19910 118 1 20 "Average Difference" CA 94 1.039 0.007 1.045 19910 119 1 20 "Average Difference" CB 87 1.368 -0.204 1.360 19910 120 1 20 "Average Difference" HN 88 0.541 -0.092 0.536 19910 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 19910 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 LEU N N 2 123.170 123.170 123.686 -0.516 19910 2 1 . 1 1 2 2 LEU HA H 2 4.588 4.588 4.779 -0.191 19910 3 1 . 1 1 2 2 LEU C C 2 176.260 176.260 176.557 -0.297 19910 4 1 . 1 1 2 2 LEU CA C 2 53.730 53.730 54.692 -0.962 19910 5 1 . 1 1 2 2 LEU CB C 2 44.290 44.290 42.884 1.406 19910 6 1 . 1 1 2 2 LEU H H 2 8.690 8.690 8.270 0.420 19910 7 1 . 1 1 3 3 THR N N 3 120.960 120.960 118.759 2.201 19910 8 1 . 1 1 3 3 THR HA H 3 5.193 5.193 4.496 0.697 19910 9 1 . 1 1 3 3 THR CA C 3 59.990 59.990 60.703 -0.713 19910 10 1 . 1 1 3 3 THR CB C 3 69.950 69.950 69.116 0.835 19910 11 1 . 1 1 3 3 THR H H 3 8.850 8.850 8.318 0.532 19910 12 1 . 1 1 4 4 PRO HA H 4 4.718 4.718 4.394 0.324 19910 13 1 . 1 1 4 4 PRO C C 4 175.870 175.870 176.508 -0.638 19910 14 1 . 1 1 4 4 PRO CA C 4 62.080 62.080 62.687 -0.607 19910 15 1 . 1 1 4 4 PRO CB C 4 31.950 31.950 32.233 -0.283 19910 16 1 . 1 1 5 5 ALA N N 5 122.560 122.560 125.169 -2.609 19910 17 1 . 1 1 5 5 ALA HA H 5 4.348 4.348 4.333 0.015 19910 18 1 . 1 1 5 5 ALA C C 5 176.360 176.360 176.699 -0.339 19910 19 1 . 1 1 5 5 ALA CA C 5 52.280 52.280 51.181 1.099 19910 20 1 . 1 1 5 5 ALA CB C 5 18.880 18.880 17.579 1.301 19910 21 1 . 1 1 5 5 ALA H H 5 8.400 8.400 8.355 0.045 19910 22 1 . 1 1 6 6 PHE N N 6 115.160 115.160 118.842 -3.682 19910 23 1 . 1 1 6 6 PHE HA H 6 5.537 5.537 4.593 0.944 19910 24 1 . 1 1 6 6 PHE C C 6 172.590 172.590 174.810 -2.220 19910 25 1 . 1 1 6 6 PHE CA C 6 55.430 55.430 57.058 -1.628 19910 26 1 . 1 1 6 6 PHE CB C 6 42.240 42.240 39.813 2.427 19910 27 1 . 1 1 6 6 PHE H H 6 7.740 7.740 7.796 -0.056 19910 28 1 . 1 1 7 7 ASP N N 7 118.960 118.960 119.494 -0.534 19910 29 1 . 1 1 7 7 ASP HA H 7 4.813 4.813 4.798 0.015 19910 30 1 . 1 1 7 7 ASP C C 7 174.530 174.530 173.970 0.560 19910 31 1 . 1 1 7 7 ASP CA C 7 53.370 53.370 53.584 -0.214 19910 32 1 . 1 1 7 7 ASP CB C 7 45.380 45.380 44.869 0.512 19910 33 1 . 1 1 7 7 ASP H H 7 8.910 8.910 8.656 0.254 19910 34 1 . 1 1 8 8 LEU N N 8 123.470 123.470 121.482 1.988 19910 35 1 . 1 1 8 8 LEU HA H 8 5.284 5.284 4.640 0.644 19910 36 1 . 1 1 8 8 LEU C C 8 175.420 175.420 176.102 -0.682 19910 37 1 . 1 1 8 8 LEU CA C 8 53.850 53.850 53.825 0.025 19910 38 1 . 1 1 8 8 LEU CB C 8 45.620 45.620 44.077 1.543 19910 39 1 . 1 1 8 8 LEU H H 8 8.750 8.750 8.313 0.437 19910 40 1 . 1 1 9 9 SER N N 9 115.920 115.920 117.769 -1.849 19910 41 1 . 1 1 9 9 SER HA H 9 4.486 4.486 4.786 -0.300 19910 42 1 . 1 1 9 9 SER C C 9 171.680 171.680 172.921 -1.241 19910 43 1 . 1 1 9 9 SER CA C 9 57.000 57.000 57.047 -0.047 19910 44 1 . 1 1 9 9 SER CB C 9 65.590 65.590 65.570 0.020 19910 45 1 . 1 1 9 9 SER H H 9 8.860 8.860 8.725 0.135 19910 46 1 . 1 1 10 10 GLN N N 10 115.230 115.230 122.824 -7.594 19910 47 1 . 1 1 10 10 GLN HA H 10 5.375 5.375 4.525 0.850 19910 48 1 . 1 1 10 10 GLN C C 10 172.130 172.130 173.513 -1.383 19910 49 1 . 1 1 10 10 GLN CA C 10 54.270 54.270 54.488 -0.218 19910 50 1 . 1 1 10 10 GLN CB C 10 32.990 32.990 31.441 1.549 19910 51 1 . 1 1 10 10 GLN H H 10 8.800 8.800 8.373 0.427 19910 52 1 . 1 1 11 11 ASP N N 11 124.270 124.270 122.901 1.369 19910 53 1 . 1 1 11 11 ASP HA H 11 4.768 4.768 5.103 -0.335 19910 54 1 . 1 1 11 11 ASP CA C 11 52.530 52.530 51.159 1.371 19910 55 1 . 1 1 11 11 ASP CB C 11 42.200 42.200 43.276 -1.076 19910 56 1 . 1 1 11 11 ASP H H 11 8.680 8.680 8.537 0.143 19910 57 1 . 1 1 12 12 PRO HA H 12 4.050 4.050 4.428 -0.378 19910 58 1 . 1 1 12 12 PRO C C 12 175.290 175.290 175.788 -0.498 19910 59 1 . 1 1 12 12 PRO CA C 12 66.920 66.920 64.551 2.369 19910 60 1 . 1 1 12 12 PRO CB C 12 31.950 31.950 32.122 -0.172 19910 61 1 . 1 1 13 13 ASP N N 13 110.550 110.550 114.681 -4.131 19910 62 1 . 1 1 13 13 ASP HA H 13 4.632 4.632 4.626 0.006 19910 63 1 . 1 1 13 13 ASP C C 13 176.480 176.480 174.215 2.265 19910 64 1 . 1 1 13 13 ASP CA C 13 54.940 54.940 53.733 1.207 19910 65 1 . 1 1 13 13 ASP CB C 13 44.410 44.410 42.219 2.191 19910 66 1 . 1 1 13 13 ASP H H 13 7.990 7.990 8.429 -0.439 19910 67 1 . 1 1 14 14 PHE N N 14 118.880 118.880 116.246 2.634 19910 68 1 . 1 1 14 14 PHE HA H 14 5.049 5.049 4.896 0.153 19910 69 1 . 1 1 14 14 PHE C C 14 174.690 174.690 173.203 1.487 19910 70 1 . 1 1 14 14 PHE CA C 14 57.600 57.600 57.380 0.220 19910 71 1 . 1 1 14 14 PHE CB C 14 42.960 42.960 42.923 0.037 19910 72 1 . 1 1 14 14 PHE H H 14 8.390 8.390 7.919 0.471 19910 73 1 . 1 1 15 15 LEU N N 15 123.990 123.990 121.554 2.436 19910 74 1 . 1 1 15 15 LEU HA H 15 4.613 4.613 4.693 -0.080 19910 75 1 . 1 1 15 15 LEU C C 15 174.780 174.780 174.774 0.006 19910 76 1 . 1 1 15 15 LEU CA C 15 53.250 53.250 54.319 -1.069 19910 77 1 . 1 1 15 15 LEU CB C 15 45.020 45.020 44.285 0.735 19910 78 1 . 1 1 15 15 LEU H H 15 9.200 9.200 9.013 0.186 19910 79 1 . 1 1 16 16 THR N N 16 122.960 122.960 123.868 -0.908 19910 80 1 . 1 1 16 16 THR HA H 16 4.849 4.849 4.997 -0.148 19910 81 1 . 1 1 16 16 THR C C 16 172.810 172.810 173.649 -0.839 19910 82 1 . 1 1 16 16 THR CA C 16 62.690 62.690 61.739 0.951 19910 83 1 . 1 1 16 16 THR CB C 16 69.340 69.340 70.678 -1.337 19910 84 1 . 1 1 16 16 THR H H 16 9.000 9.000 8.825 0.175 19910 85 1 . 1 1 17 17 ILE N N 17 126.630 126.630 123.340 3.290 19910 86 1 . 1 1 17 17 ILE HA H 17 4.439 4.439 4.248 0.190 19910 87 1 . 1 1 17 17 ILE C C 17 172.580 172.580 173.591 -1.011 19910 88 1 . 1 1 17 17 ILE CA C 17 60.030 60.030 59.463 0.567 19910 89 1 . 1 1 17 17 ILE CB C 17 39.450 39.450 41.216 -1.766 19910 90 1 . 1 1 17 17 ILE H H 17 8.680 8.680 8.237 0.443 19910 91 1 . 1 1 18 18 ALA N N 18 130.190 130.190 126.215 3.975 19910 92 1 . 1 1 18 18 ALA HA H 18 5.215 5.215 5.335 -0.120 19910 93 1 . 1 1 18 18 ALA C C 18 176.660 176.660 175.769 0.891 19910 94 1 . 1 1 18 18 ALA CA C 18 49.980 49.980 50.316 -0.336 19910 95 1 . 1 1 18 18 ALA CB C 18 20.570 20.570 21.665 -1.095 19910 96 1 . 1 1 18 18 ALA H H 18 8.490 8.490 8.401 0.089 19910 97 1 . 1 1 19 19 ILE N N 19 124.920 124.920 123.394 1.526 19910 98 1 . 1 1 19 19 ILE HA H 19 4.307 4.307 4.438 -0.131 19910 99 1 . 1 1 19 19 ILE C C 19 174.710 174.710 174.697 0.013 19910 100 1 . 1 1 19 19 ILE CA C 19 60.990 60.990 60.038 0.953 19910 101 1 . 1 1 19 19 ILE CB C 19 40.900 40.900 40.898 0.002 19910 102 1 . 1 1 19 19 ILE H H 19 9.590 9.590 8.492 1.098 19910 103 1 . 1 1 20 20 ARG N N 20 128.960 128.960 128.609 0.351 19910 104 1 . 1 1 20 20 ARG HA H 20 4.642 4.642 4.634 0.008 19910 105 1 . 1 1 20 20 ARG C C 20 174.890 174.890 174.940 -0.050 19910 106 1 . 1 1 20 20 ARG CA C 20 56.030 56.030 55.671 0.359 19910 107 1 . 1 1 20 20 ARG CB C 20 29.530 29.530 30.876 -1.346 19910 108 1 . 1 1 20 20 ARG H H 20 8.600 8.600 8.675 -0.075 19910 109 1 . 1 1 21 21 VAL N N 21 120.400 120.400 121.345 -0.945 19910 110 1 . 1 1 21 21 VAL HA H 21 4.010 4.010 4.414 -0.404 19910 111 1 . 1 1 21 21 VAL C C 21 174.950 174.950 174.669 0.281 19910 112 1 . 1 1 21 21 VAL CA C 21 59.420 59.420 60.710 -1.290 19910 113 1 . 1 1 21 21 VAL CB C 21 33.280 33.280 34.682 -1.402 19910 114 1 . 1 1 21 21 VAL H H 21 8.020 8.020 8.169 -0.149 19910 115 1 . 1 1 22 22 SER N N 22 118.050 118.050 120.518 -2.468 19910 116 1 . 1 1 22 22 SER HA H 22 4.540 4.540 4.703 -0.163 19910 117 1 . 1 1 22 22 SER C C 22 174.110 174.110 175.548 -1.438 19910 118 1 . 1 1 22 22 SER CA C 22 59.540 59.540 58.884 0.656 19910 119 1 . 1 1 22 22 SER CB C 22 63.600 63.600 64.021 -0.421 19910 120 1 . 1 1 22 22 SER H H 22 7.770 7.770 8.558 -0.788 19910 121 1 . 1 1 23 23 TYR N N 23 120.870 120.870 121.302 -0.432 19910 122 1 . 1 1 23 23 TYR HA H 23 4.493 4.493 4.439 0.054 19910 123 1 . 1 1 23 23 TYR C C 23 175.310 175.310 175.609 -0.299 19910 124 1 . 1 1 23 23 TYR CA C 23 58.210 58.210 58.029 0.181 19910 125 1 . 1 1 23 23 TYR CB C 23 37.880 37.880 38.130 -0.249 19910 126 1 . 1 1 23 23 TYR H H 23 8.300 8.300 8.350 -0.050 19910 127 1 . 1 1 24 24 ALA N N 24 122.670 122.670 121.513 1.157 19910 128 1 . 1 1 24 24 ALA HA H 24 4.303 4.303 4.120 0.183 19910 129 1 . 1 1 24 24 ALA C C 24 177.160 177.160 177.752 -0.592 19910 130 1 . 1 1 24 24 ALA CA C 24 52.520 52.520 52.902 -0.382 19910 131 1 . 1 1 24 24 ALA CB C 24 19.730 19.730 18.684 1.046 19910 132 1 . 1 1 24 24 ALA H H 24 7.910 7.910 8.154 -0.244 19910 133 1 . 1 1 25 25 ARG N N 25 119.060 119.060 122.737 -3.677 19910 134 1 . 1 1 25 25 ARG HA H 25 4.346 4.346 4.277 0.069 19910 135 1 . 1 1 25 25 ARG C C 25 175.830 175.830 176.014 -0.184 19910 136 1 . 1 1 25 25 ARG CA C 25 55.550 55.550 56.903 -1.353 19910 137 1 . 1 1 25 25 ARG CB C 25 30.500 30.500 30.636 -0.136 19910 138 1 . 1 1 25 25 ARG H H 25 8.220 8.220 8.477 -0.257 19910 139 1 . 1 1 26 26 VAL N N 26 118.660 118.660 115.868 2.792 19910 140 1 . 1 1 26 26 VAL HA H 26 3.454 3.454 4.207 -0.753 19910 141 1 . 1 1 26 26 VAL C C 26 175.700 175.700 175.784 -0.084 19910 142 1 . 1 1 26 26 VAL CA C 26 61.960 61.960 61.695 0.265 19910 143 1 . 1 1 26 26 VAL CB C 26 32.800 32.800 33.236 -0.436 19910 144 1 . 1 1 26 26 VAL H H 26 7.650 7.650 7.642 0.008 19910 145 1 . 1 1 27 27 SER N N 27 116.090 116.090 119.327 -3.237 19910 146 1 . 1 1 27 27 SER HA H 27 4.183 4.183 4.267 -0.084 19910 147 1 . 1 1 27 27 SER C C 27 173.750 173.750 174.748 -0.998 19910 148 1 . 1 1 27 27 SER CA C 27 58.570 58.570 60.308 -1.737 19910 149 1 . 1 1 27 27 SER CB C 27 63.530 63.530 63.491 0.039 19910 150 1 . 1 1 27 27 SER H H 27 8.180 8.180 8.598 -0.418 19910 151 1 . 1 1 28 28 GLU N N 28 120.070 120.070 119.702 0.368 19910 152 1 . 1 1 28 28 GLU HA H 28 4.203 4.203 4.053 0.150 19910 153 1 . 1 1 28 28 GLU C C 28 174.790 174.790 175.197 -0.407 19910 154 1 . 1 1 28 28 GLU CA C 28 55.550 55.550 55.348 0.202 19910 155 1 . 1 1 28 28 GLU CB C 28 30.620 30.620 31.071 -0.451 19910 156 1 . 1 1 28 28 GLU H H 28 7.400 7.400 7.806 -0.406 19910 157 1 . 1 1 29 29 PHE N N 29 120.340 120.340 120.796 -0.456 19910 158 1 . 1 1 29 29 PHE HA H 29 4.487 4.487 4.638 -0.151 19910 159 1 . 1 1 29 29 PHE C C 29 174.580 174.580 175.753 -1.173 19910 160 1 . 1 1 29 29 PHE CA C 29 55.790 55.790 54.818 0.973 19910 161 1 . 1 1 29 29 PHE CB C 29 39.690 39.690 39.895 -0.205 19910 162 1 . 1 1 29 29 PHE H H 29 7.820 7.820 7.838 -0.018 19910 163 1 . 1 1 30 30 ASP N N 30 123.670 123.670 122.049 1.621 19910 164 1 . 1 1 30 30 ASP HA H 30 4.817 4.817 4.858 -0.041 19910 165 1 . 1 1 30 30 ASP C C 30 174.040 174.040 174.419 -0.379 19910 166 1 . 1 1 30 30 ASP CA C 30 53.850 53.850 53.659 0.191 19910 167 1 . 1 1 30 30 ASP CB C 30 43.450 43.450 42.780 0.670 19910 168 1 . 1 1 30 30 ASP H H 30 8.420 8.420 8.487 -0.067 19910 169 1 . 1 1 31 31 VAL N N 31 123.010 123.010 123.027 -0.017 19910 170 1 . 1 1 31 31 VAL HA H 31 4.768 4.768 4.771 -0.003 19910 171 1 . 1 1 31 31 VAL C C 31 173.980 173.980 174.988 -1.008 19910 172 1 . 1 1 31 31 VAL CA C 31 60.510 60.510 61.166 -0.656 19910 173 1 . 1 1 31 31 VAL CB C 31 34.730 34.730 33.187 1.544 19910 174 1 . 1 1 31 31 VAL H H 31 8.270 8.270 8.414 -0.144 19910 175 1 . 1 1 32 32 TYR N N 32 127.340 127.340 127.546 -0.206 19910 176 1 . 1 1 32 32 TYR HA H 32 4.624 4.624 4.824 -0.200 19910 177 1 . 1 1 32 32 TYR C C 32 172.990 172.990 174.240 -1.250 19910 178 1 . 1 1 32 32 TYR CA C 32 56.520 56.520 56.522 -0.002 19910 179 1 . 1 1 32 32 TYR CB C 32 41.870 41.870 40.642 1.228 19910 180 1 . 1 1 32 32 TYR H H 32 8.920 8.920 8.912 0.008 19910 181 1 . 1 1 33 33 PHE N N 33 121.160 121.160 121.245 -0.085 19910 182 1 . 1 1 33 33 PHE HA H 33 5.106 5.106 5.904 -0.798 19910 183 1 . 1 1 33 33 PHE C C 33 173.100 173.100 174.656 -1.556 19910 184 1 . 1 1 33 33 PHE CA C 33 55.310 55.310 55.201 0.109 19910 185 1 . 1 1 33 33 PHE CB C 33 40.420 40.420 41.899 -1.479 19910 186 1 . 1 1 33 33 PHE H H 33 7.510 7.510 8.575 -1.065 19910 187 1 . 1 1 34 34 GLU N N 34 120.460 120.460 123.488 -3.028 19910 188 1 . 1 1 34 34 GLU HA H 34 4.099 4.099 4.707 -0.608 19910 189 1 . 1 1 34 34 GLU C C 34 175.700 175.700 176.641 -0.941 19910 190 1 . 1 1 34 34 GLU CA C 34 56.640 56.640 55.290 1.350 19910 191 1 . 1 1 34 34 GLU CB C 34 31.340 31.340 31.788 -0.448 19910 192 1 . 1 1 34 34 GLU H H 34 8.190 8.190 8.744 -0.554 19910 193 1 . 1 1 35 35 GLY N N 35 117.400 117.400 116.206 1.194 19910 194 1 . 1 1 35 35 GLY C C 35 173.120 173.120 174.688 -1.568 19910 195 1 . 1 1 35 35 GLY CA C 35 47.680 47.680 46.910 0.770 19910 196 1 . 1 1 35 35 GLY H H 35 9.240 9.240 8.941 0.299 19910 197 1 . 1 1 36 36 SER N N 36 122.510 122.510 114.881 7.629 19910 198 1 . 1 1 36 36 SER HA H 36 4.795 4.795 4.418 0.377 19910 199 1 . 1 1 36 36 SER C C 36 172.680 172.680 172.995 -0.315 19910 200 1 . 1 1 36 36 SER CA C 36 57.360 57.360 58.821 -1.461 19910 201 1 . 1 1 36 36 SER CB C 36 64.500 64.500 64.042 0.458 19910 202 1 . 1 1 36 36 SER H H 36 8.930 8.930 8.639 0.291 19910 203 1 . 1 1 37 37 ASP N N 37 123.120 123.120 123.015 0.105 19910 204 1 . 1 1 37 37 ASP HA H 37 5.192 5.192 5.068 0.124 19910 205 1 . 1 1 37 37 ASP C C 37 174.170 174.170 174.235 -0.065 19910 206 1 . 1 1 37 37 ASP CA C 37 54.340 54.340 53.840 0.500 19910 207 1 . 1 1 37 37 ASP CB C 37 43.810 43.810 42.554 1.256 19910 208 1 . 1 1 37 37 ASP H H 37 8.600 8.600 7.966 0.633 19910 209 1 . 1 1 38 38 PHE N N 38 122.850 122.850 127.857 -5.007 19910 210 1 . 1 1 38 38 PHE HA H 38 5.053 5.053 5.470 -0.418 19910 211 1 . 1 1 38 38 PHE C C 38 172.810 172.810 173.300 -0.490 19910 212 1 . 1 1 38 38 PHE CA C 38 57.000 57.000 56.458 0.541 19910 213 1 . 1 1 38 38 PHE CB C 38 43.080 43.080 42.018 1.062 19910 214 1 . 1 1 38 38 PHE H H 38 8.340 8.340 8.997 -0.657 19910 215 1 . 1 1 39 39 LYS N N 39 126.630 126.630 128.624 -1.994 19910 216 1 . 1 1 39 39 LYS HA H 39 4.816 4.816 5.025 -0.209 19910 217 1 . 1 1 39 39 LYS C C 39 172.540 172.540 174.347 -1.807 19910 218 1 . 1 1 39 39 LYS CA C 39 54.890 54.890 54.259 0.631 19910 219 1 . 1 1 39 39 LYS CB C 39 36.790 36.790 34.968 1.822 19910 220 1 . 1 1 39 39 LYS H H 39 8.690 8.690 8.896 -0.206 19910 221 1 . 1 1 40 40 PHE N N 40 123.910 123.910 125.864 -1.954 19910 222 1 . 1 1 40 40 PHE HA H 40 4.923 4.923 5.209 -0.286 19910 223 1 . 1 1 40 40 PHE C C 40 171.900 171.900 173.132 -1.232 19910 224 1 . 1 1 40 40 PHE CA C 40 55.910 55.910 55.269 0.641 19910 225 1 . 1 1 40 40 PHE CB C 40 43.450 43.450 42.457 0.993 19910 226 1 . 1 1 40 40 PHE H H 40 8.750 8.750 8.829 -0.079 19910 227 1 . 1 1 41 41 TYR N N 41 126.490 126.490 126.594 -0.104 19910 228 1 . 1 1 41 41 TYR HA H 41 4.958 4.958 4.879 0.079 19910 229 1 . 1 1 41 41 TYR C C 41 173.070 173.070 174.040 -0.970 19910 230 1 . 1 1 41 41 TYR CA C 41 55.670 55.670 55.765 -0.095 19910 231 1 . 1 1 41 41 TYR CB C 41 41.510 41.510 39.683 1.827 19910 232 1 . 1 1 41 41 TYR H H 41 8.450 8.450 8.602 -0.152 19910 233 1 . 1 1 42 42 ALA N N 42 129.720 129.720 125.998 3.722 19910 234 1 . 1 1 42 42 ALA HA H 42 4.024 4.024 4.666 -0.642 19910 235 1 . 1 1 42 42 ALA C C 42 174.350 174.350 175.983 -1.633 19910 236 1 . 1 1 42 42 ALA CA C 42 51.190 51.190 50.946 0.244 19910 237 1 . 1 1 42 42 ALA CB C 42 20.330 20.330 20.139 0.191 19910 238 1 . 1 1 42 42 ALA H H 42 7.970 7.970 8.464 -0.494 19910 239 1 . 1 1 43 43 LYS N N 43 124.250 124.250 119.995 4.255 19910 240 1 . 1 1 43 43 LYS HA H 43 3.634 3.634 4.084 -0.450 19910 241 1 . 1 1 43 43 LYS CA C 43 56.260 56.260 57.637 -1.377 19910 242 1 . 1 1 43 43 LYS CB C 43 32.860 32.860 29.903 2.957 19910 243 1 . 1 1 43 43 LYS H H 43 7.850 7.850 8.249 -0.399 19910 244 1 . 1 1 44 44 PRO HA H 44 4.487 4.487 4.303 0.184 19910 245 1 . 1 1 44 44 PRO C C 44 173.980 173.980 176.004 -2.023 19910 246 1 . 1 1 44 44 PRO CA C 44 64.380 64.380 64.094 0.286 19910 247 1 . 1 1 44 44 PRO CB C 44 34.010 34.010 31.861 2.149 19910 248 1 . 1 1 45 45 TYR N N 45 126.840 126.840 118.386 8.454 19910 249 1 . 1 1 45 45 TYR HA H 45 5.274 5.274 4.437 0.837 19910 250 1 . 1 1 45 45 TYR C C 45 175.290 175.290 174.333 0.957 19910 251 1 . 1 1 45 45 TYR CA C 45 58.330 58.330 56.993 1.337 19910 252 1 . 1 1 45 45 TYR CB C 45 40.300 40.300 38.380 1.920 19910 253 1 . 1 1 45 45 TYR H H 45 9.360 9.360 7.539 1.821 19910 254 1 . 1 1 46 46 PHE N N 46 121.470 121.470 123.840 -2.370 19910 255 1 . 1 1 46 46 PHE HA H 46 5.422 5.422 5.314 0.108 19910 256 1 . 1 1 46 46 PHE C C 46 173.180 173.180 174.326 -1.146 19910 257 1 . 1 1 46 46 PHE CA C 46 56.520 56.520 55.909 0.611 19910 258 1 . 1 1 46 46 PHE CB C 46 43.930 43.930 41.542 2.388 19910 259 1 . 1 1 46 46 PHE H H 46 8.870 8.870 8.584 0.286 19910 260 1 . 1 1 47 47 LEU N N 47 129.700 129.700 128.463 1.237 19910 261 1 . 1 1 47 47 LEU HA H 47 4.565 4.565 4.522 0.043 19910 262 1 . 1 1 47 47 LEU C C 47 171.770 171.770 174.632 -2.862 19910 263 1 . 1 1 47 47 LEU CA C 47 53.130 53.130 53.781 -0.651 19910 264 1 . 1 1 47 47 LEU CB C 47 47.560 47.560 44.882 2.678 19910 265 1 . 1 1 47 47 LEU H H 47 8.850 8.850 8.959 -0.109 19910 266 1 . 1 1 48 48 ARG N N 48 127.760 127.760 127.250 0.510 19910 267 1 . 1 1 48 48 ARG HA H 48 5.283 5.283 5.005 0.278 19910 268 1 . 1 1 48 48 ARG C C 48 174.090 174.090 174.733 -0.644 19910 269 1 . 1 1 48 48 ARG CA C 48 54.100 54.100 54.908 -0.808 19910 270 1 . 1 1 48 48 ARG CB C 48 33.160 33.160 31.333 1.827 19910 271 1 . 1 1 48 48 ARG H H 48 8.620 8.620 8.406 0.214 19910 272 1 . 1 1 49 49 LEU N N 49 122.890 122.890 128.790 -5.900 19910 273 1 . 1 1 49 49 LEU HA H 49 4.855 4.855 4.802 0.053 19910 274 1 . 1 1 49 49 LEU C C 49 175.880 175.880 175.528 0.352 19910 275 1 . 1 1 49 49 LEU CA C 49 52.880 52.880 53.994 -1.114 19910 276 1 . 1 1 49 49 LEU CB C 49 47.800 47.800 45.749 2.051 19910 277 1 . 1 1 49 49 LEU H H 49 8.970 8.970 9.134 -0.164 19910 278 1 . 1 1 50 50 THR N N 50 118.610 118.610 119.323 -0.713 19910 279 1 . 1 1 50 50 THR HA H 50 4.862 4.862 4.875 -0.013 19910 280 1 . 1 1 50 50 THR C C 50 174.610 174.610 174.555 0.055 19910 281 1 . 1 1 50 50 THR CA C 50 61.110 61.110 61.547 -0.437 19910 282 1 . 1 1 50 50 THR CB C 50 69.220 69.220 68.961 0.259 19910 283 1 . 1 1 50 50 THR H H 50 8.670 8.670 8.445 0.225 19910 284 1 . 1 1 51 51 LEU N N 51 126.300 126.300 128.157 -1.857 19910 285 1 . 1 1 51 51 LEU HA H 51 4.302 4.302 4.391 -0.089 19910 286 1 . 1 1 51 51 LEU CA C 51 52.650 52.650 53.292 -0.642 19910 287 1 . 1 1 51 51 LEU CB C 51 41.950 41.950 41.532 0.418 19910 288 1 . 1 1 51 51 LEU H H 51 9.540 9.540 8.282 1.258 19910 289 1 . 1 1 52 52 PRO HA H 52 4.401 4.401 4.237 0.164 19910 290 1 . 1 1 52 52 PRO C C 52 174.240 174.240 176.146 -1.906 19910 291 1 . 1 1 52 52 PRO CA C 52 62.690 62.690 63.461 -0.771 19910 292 1 . 1 1 52 52 PRO CB C 52 30.620 30.620 31.777 -1.157 19910 293 1 . 1 1 53 53 GLY N N 53 105.990 105.990 106.321 -0.331 19910 294 1 . 1 1 53 53 GLY C C 53 170.520 170.520 172.603 -2.083 19910 295 1 . 1 1 53 53 GLY CA C 53 43.450 43.450 43.585 -0.135 19910 296 1 . 1 1 53 53 GLY H H 53 6.550 6.550 6.755 -0.205 19910 297 1 . 1 1 54 54 ARG N N 54 115.660 115.660 119.214 -3.554 19910 298 1 . 1 1 54 54 ARG HA H 54 4.347 4.347 4.941 -0.594 19910 299 1 . 1 1 54 54 ARG C C 54 176.940 176.940 174.966 1.974 19910 300 1 . 1 1 54 54 ARG CA C 54 55.890 55.890 55.119 0.771 19910 301 1 . 1 1 54 54 ARG CB C 54 32.310 32.310 33.601 -1.291 19910 302 1 . 1 1 54 54 ARG H H 54 8.210 8.210 8.393 -0.183 19910 303 1 . 1 1 55 55 ILE N N 55 118.910 118.910 123.814 -4.904 19910 304 1 . 1 1 55 55 ILE HA H 55 5.003 5.003 4.633 0.370 19910 305 1 . 1 1 55 55 ILE C C 55 175.310 175.310 175.294 0.016 19910 306 1 . 1 1 55 55 ILE CA C 55 58.500 58.500 58.789 -0.289 19910 307 1 . 1 1 55 55 ILE CB C 55 40.950 40.950 39.349 1.601 19910 308 1 . 1 1 55 55 ILE H H 55 8.640 8.640 8.773 -0.133 19910 309 1 . 1 1 56 56 VAL N N 56 118.140 118.140 125.976 -7.836 19910 310 1 . 1 1 56 56 VAL HA H 56 4.438 4.438 4.011 0.427 19910 311 1 . 1 1 56 56 VAL C C 56 172.920 172.920 175.214 -2.294 19910 312 1 . 1 1 56 56 VAL CA C 56 60.510 60.510 62.814 -2.304 19910 313 1 . 1 1 56 56 VAL CB C 56 34.850 34.850 33.051 1.799 19910 314 1 . 1 1 56 56 VAL H H 56 8.330 8.330 7.927 0.403 19910 315 1 . 1 1 57 57 GLU N N 57 123.300 123.300 126.390 -3.090 19910 316 1 . 1 1 57 57 GLU HA H 57 4.358 4.358 4.796 -0.438 19910 317 1 . 1 1 57 57 GLU C C 57 176.350 176.350 175.284 1.066 19910 318 1 . 1 1 57 57 GLU CA C 57 55.890 55.890 55.960 -0.070 19910 319 1 . 1 1 57 57 GLU CB C 57 29.880 29.880 30.852 -0.972 19910 320 1 . 1 1 57 57 GLU H H 57 8.380 8.380 8.665 -0.285 19910 321 1 . 1 1 58 58 ASN N N 58 121.570 121.570 122.779 -1.209 19910 322 1 . 1 1 58 58 ASN HA H 58 4.764 4.764 4.839 -0.075 19910 323 1 . 1 1 58 58 ASN C C 58 176.120 176.120 175.399 0.721 19910 324 1 . 1 1 58 58 ASN CA C 58 52.760 52.760 53.818 -1.058 19910 325 1 . 1 1 58 58 ASN CB C 58 38.970 38.970 39.531 -0.561 19910 326 1 . 1 1 58 58 ASN H H 58 8.360 8.360 9.030 -0.670 19910 327 1 . 1 1 59 59 GLY N N 59 112.050 112.050 108.504 3.546 19910 328 1 . 1 1 59 59 GLY C C 59 174.840 174.840 174.626 0.214 19910 329 1 . 1 1 59 59 GLY CA C 59 45.380 45.380 45.286 0.094 19910 330 1 . 1 1 59 59 GLY H H 59 9.350 9.350 8.511 0.839 19910 331 1 . 1 1 60 60 SER N N 60 115.430 115.430 116.870 -1.440 19910 332 1 . 1 1 60 60 SER HA H 60 4.536 4.536 4.576 -0.040 19910 333 1 . 1 1 60 60 SER C C 60 174.140 174.140 174.698 -0.558 19910 334 1 . 1 1 60 60 SER CA C 60 58.810 58.810 58.530 0.280 19910 335 1 . 1 1 60 60 SER CB C 60 64.140 64.140 63.350 0.790 19910 336 1 . 1 1 60 60 SER H H 60 8.350 8.350 8.282 0.068 19910 337 1 . 1 1 61 61 GLU N N 61 122.950 122.950 120.208 2.742 19910 338 1 . 1 1 61 61 GLU HA H 61 4.525 4.525 4.290 0.235 19910 339 1 . 1 1 61 61 GLU C C 61 175.550 175.550 175.647 -0.097 19910 340 1 . 1 1 61 61 GLU CA C 61 56.520 56.520 56.567 -0.047 19910 341 1 . 1 1 61 61 GLU CB C 61 29.530 29.530 30.155 -0.625 19910 342 1 . 1 1 61 61 GLU H H 61 8.910 8.910 7.960 0.950 19910 343 1 . 1 1 62 62 GLN N N 62 120.280 120.280 118.717 1.563 19910 344 1 . 1 1 62 62 GLN HA H 62 4.601 4.601 4.576 0.025 19910 345 1 . 1 1 62 62 GLN C C 62 175.700 175.700 174.407 1.293 19910 346 1 . 1 1 62 62 GLN CA C 62 55.430 55.430 55.245 0.185 19910 347 1 . 1 1 62 62 GLN CB C 62 31.340 31.340 32.806 -1.466 19910 348 1 . 1 1 62 62 GLN H H 62 8.310 8.310 8.253 0.057 19910 349 1 . 1 1 63 63 GLY N N 63 111.400 111.400 109.728 1.672 19910 350 1 . 1 1 63 63 GLY C C 63 172.550 172.550 173.072 -0.522 19910 351 1 . 1 1 63 63 GLY CA C 63 44.690 44.690 44.835 -0.145 19910 352 1 . 1 1 63 63 GLY H H 63 8.880 8.880 8.358 0.522 19910 353 1 . 1 1 64 64 SER N N 64 115.080 115.080 117.985 -2.905 19910 354 1 . 1 1 64 64 SER HA H 64 4.629 4.629 4.765 -0.136 19910 355 1 . 1 1 64 64 SER C C 64 171.770 171.770 172.765 -0.995 19910 356 1 . 1 1 64 64 SER CA C 64 57.120 57.120 58.055 -0.935 19910 357 1 . 1 1 64 64 SER CB C 64 65.230 65.230 65.173 0.057 19910 358 1 . 1 1 64 64 SER H H 64 8.280 8.280 8.903 -0.623 19910 359 1 . 1 1 65 65 TYR N N 65 124.640 124.640 127.810 -3.170 19910 360 1 . 1 1 65 65 TYR HA H 65 5.198 5.198 5.374 -0.176 19910 361 1 . 1 1 65 65 TYR C C 65 173.640 173.640 174.660 -1.020 19910 362 1 . 1 1 65 65 TYR CA C 65 55.670 55.670 56.829 -1.159 19910 363 1 . 1 1 65 65 TYR CB C 65 40.900 40.900 40.386 0.514 19910 364 1 . 1 1 65 65 TYR H H 65 8.980 8.980 8.703 0.277 19910 365 1 . 1 1 66 66 ASP N N 66 128.570 128.570 127.583 0.987 19910 366 1 . 1 1 66 66 ASP HA H 66 4.532 4.532 4.702 -0.170 19910 367 1 . 1 1 66 66 ASP C C 66 175.340 175.340 175.064 0.276 19910 368 1 . 1 1 66 66 ASP CA C 66 51.800 51.800 52.854 -1.054 19910 369 1 . 1 1 66 66 ASP CB C 66 41.510 41.510 43.159 -1.649 19910 370 1 . 1 1 66 66 ASP H H 66 8.000 8.000 8.309 -0.309 19910 371 1 . 1 1 67 67 ALA N N 67 127.520 127.520 128.217 -0.697 19910 372 1 . 1 1 67 67 ALA HA H 67 3.597 3.597 3.990 -0.393 19910 373 1 . 1 1 67 67 ALA C C 67 178.770 178.770 178.015 0.755 19910 374 1 . 1 1 67 67 ALA CA C 67 53.850 53.850 54.386 -0.537 19910 375 1 . 1 1 67 67 ALA CB C 67 18.640 18.640 18.952 -0.312 19910 376 1 . 1 1 67 67 ALA H H 67 8.460 8.460 8.361 0.099 19910 377 1 . 1 1 68 68 ASP N N 68 117.850 117.850 118.258 -0.408 19910 378 1 . 1 1 68 68 ASP HA H 68 4.340 4.340 4.388 -0.048 19910 379 1 . 1 1 68 68 ASP C C 68 177.780 177.780 177.555 0.225 19910 380 1 . 1 1 68 68 ASP CA C 68 56.760 56.760 56.452 0.308 19910 381 1 . 1 1 68 68 ASP CB C 68 40.900 40.900 40.533 0.367 19910 382 1 . 1 1 68 68 ASP H H 68 7.980 7.980 8.430 -0.450 19910 383 1 . 1 1 69 69 LYS N N 69 115.790 115.790 117.695 -1.905 19910 384 1 . 1 1 69 69 LYS HA H 69 4.119 4.119 4.319 -0.200 19910 385 1 . 1 1 69 69 LYS C C 69 177.130 177.130 176.895 0.235 19910 386 1 . 1 1 69 69 LYS CA C 69 56.150 56.150 56.273 -0.123 19910 387 1 . 1 1 69 69 LYS CB C 69 34.010 34.010 33.091 0.919 19910 388 1 . 1 1 69 69 LYS H H 69 7.390 7.390 7.976 -0.586 19910 389 1 . 1 1 70 70 GLY N N 70 110.040 110.040 108.663 1.377 19910 390 1 . 1 1 70 70 GLY C C 70 174.040 174.040 173.576 0.464 19910 391 1 . 1 1 70 70 GLY CA C 70 46.830 46.830 45.617 1.213 19910 392 1 . 1 1 70 70 GLY H H 70 8.030 8.030 7.761 0.269 19910 393 1 . 1 1 71 71 ILE N N 71 115.810 115.810 118.866 -3.056 19910 394 1 . 1 1 71 71 ILE HA H 71 4.861 4.861 4.608 0.253 19910 395 1 . 1 1 71 71 ILE C C 71 175.520 175.520 173.915 1.605 19910 396 1 . 1 1 71 71 ILE CA C 71 59.420 59.420 60.411 -0.991 19910 397 1 . 1 1 71 71 ILE CB C 71 42.240 42.240 41.523 0.717 19910 398 1 . 1 1 71 71 ILE H H 71 6.990 6.990 8.041 -1.051 19910 399 1 . 1 1 72 72 PHE N N 72 132.630 132.630 128.825 3.805 19910 400 1 . 1 1 72 72 PHE HA H 72 5.377 5.377 5.407 -0.030 19910 401 1 . 1 1 72 72 PHE C C 72 173.310 173.310 173.843 -0.533 19910 402 1 . 1 1 72 72 PHE CA C 72 56.150 56.150 54.962 1.188 19910 403 1 . 1 1 72 72 PHE CB C 72 41.630 41.630 41.409 0.221 19910 404 1 . 1 1 72 72 PHE H H 72 9.720 9.720 9.154 0.565 19910 405 1 . 1 1 73 73 THR N N 73 124.190 124.190 125.172 -0.982 19910 406 1 . 1 1 73 73 THR HA H 73 5.047 5.047 5.044 0.003 19910 407 1 . 1 1 73 73 THR C C 73 172.660 172.660 172.712 -0.052 19910 408 1 . 1 1 73 73 THR CA C 73 61.480 61.480 60.919 0.561 19910 409 1 . 1 1 73 73 THR CB C 73 69.950 69.950 70.429 -0.479 19910 410 1 . 1 1 73 73 THR H H 73 8.610 8.610 8.953 -0.343 19910 411 1 . 1 1 74 74 ILE N N 74 125.780 125.780 126.333 -0.553 19910 412 1 . 1 1 74 74 ILE HA H 74 4.557 4.557 4.893 -0.336 19910 413 1 . 1 1 74 74 ILE C C 74 171.480 171.480 173.457 -1.977 19910 414 1 . 1 1 74 74 ILE CA C 74 59.060 59.060 59.175 -0.115 19910 415 1 . 1 1 74 74 ILE CB C 74 41.510 41.510 41.730 -0.220 19910 416 1 . 1 1 74 74 ILE H H 74 8.850 8.850 8.192 0.658 19910 417 1 . 1 1 75 75 ARG N N 75 127.330 127.330 127.452 -0.122 19910 418 1 . 1 1 75 75 ARG HA H 75 4.859 4.859 4.566 0.293 19910 419 1 . 1 1 75 75 ARG C C 75 174.790 174.790 174.795 -0.005 19910 420 1 . 1 1 75 75 ARG CA C 75 54.460 54.460 54.927 -0.467 19910 421 1 . 1 1 75 75 ARG CB C 75 31.460 31.460 31.660 -0.200 19910 422 1 . 1 1 75 75 ARG H H 75 8.320 8.320 8.573 -0.253 19910 423 1 . 1 1 76 76 LEU N N 76 125.120 125.120 121.935 3.184 19910 424 1 . 1 1 76 76 LEU HA H 76 4.819 4.819 4.830 -0.011 19910 425 1 . 1 1 76 76 LEU CA C 76 50.530 50.530 51.663 -1.133 19910 426 1 . 1 1 76 76 LEU CB C 76 43.070 43.070 44.559 -1.489 19910 427 1 . 1 1 76 76 LEU H H 76 9.300 9.300 8.105 1.195 19910 428 1 . 1 1 77 77 PRO HA H 77 4.114 4.114 4.628 -0.514 19910 429 1 . 1 1 77 77 PRO C C 77 176.430 176.430 176.537 -0.107 19910 430 1 . 1 1 77 77 PRO CA C 77 62.080 62.080 61.867 0.213 19910 431 1 . 1 1 77 77 PRO CB C 77 31.220 31.220 32.447 -1.227 19910 432 1 . 1 1 78 78 LYS N N 78 122.800 122.800 120.085 2.715 19910 433 1 . 1 1 78 78 LYS HA H 78 4.062 4.062 4.439 -0.377 19910 434 1 . 1 1 78 78 LYS C C 78 176.590 176.590 176.654 -0.064 19910 435 1 . 1 1 78 78 LYS CA C 78 57.730 57.730 54.705 3.025 19910 436 1 . 1 1 78 78 LYS CB C 78 32.800 32.800 33.531 -0.731 19910 437 1 . 1 1 78 78 LYS H H 78 7.790 7.790 7.758 0.032 19910 438 1 . 1 1 79 79 GLU N N 79 124.540 124.540 122.304 2.236 19910 439 1 . 1 1 79 79 GLU HA H 79 3.689 3.689 4.256 -0.567 19910 440 1 . 1 1 79 79 GLU C C 79 176.300 176.300 176.168 0.132 19910 441 1 . 1 1 79 79 GLU CA C 79 59.420 59.420 57.784 1.636 19910 442 1 . 1 1 79 79 GLU CB C 79 30.500 30.500 30.290 0.210 19910 443 1 . 1 1 79 79 GLU H H 79 8.520 8.520 8.711 -0.191 19910 444 1 . 1 1 80 80 THR N N 80 115.960 115.960 116.474 -0.514 19910 445 1 . 1 1 80 80 THR HA H 80 4.485 4.485 4.717 -0.232 19910 446 1 . 1 1 80 80 THR CA C 80 59.120 59.120 59.764 -0.644 19910 447 1 . 1 1 80 80 THR CB C 80 69.330 69.330 69.904 -0.574 19910 448 1 . 1 1 80 80 THR H H 80 9.070 9.070 7.751 1.319 19910 449 1 . 1 1 81 81 PRO HA H 81 4.070 4.070 4.075 -0.005 19910 450 1 . 1 1 81 81 PRO C C 81 177.860 177.860 178.141 -0.281 19910 451 1 . 1 1 81 81 PRO CA C 81 63.900 63.900 63.530 0.370 19910 452 1 . 1 1 81 81 PRO CB C 81 31.460 31.460 31.917 -0.457 19910 453 1 . 1 1 82 82 GLY N N 82 113.580 113.580 110.691 2.889 19910 454 1 . 1 1 82 82 GLY C C 82 174.870 174.870 174.191 0.679 19910 455 1 . 1 1 82 82 GLY CA C 82 45.140 45.140 44.993 0.147 19910 456 1 . 1 1 82 82 GLY H H 82 9.150 9.150 8.448 0.702 19910 457 1 . 1 1 83 83 GLN N N 83 122.820 122.820 120.446 2.374 19910 458 1 . 1 1 83 83 GLN HA H 83 4.159 4.159 4.332 -0.173 19910 459 1 . 1 1 83 83 GLN C C 83 175.180 175.180 174.854 0.326 19910 460 1 . 1 1 83 83 GLN CA C 83 56.390 56.390 55.456 0.934 19910 461 1 . 1 1 83 83 GLN CB C 83 29.410 29.410 30.002 -0.592 19910 462 1 . 1 1 83 83 GLN H H 83 7.960 7.960 7.484 0.476 19910 463 1 . 1 1 84 84 HIS N N 84 131.340 131.340 125.483 5.857 19910 464 1 . 1 1 84 84 HIS HA H 84 4.299 4.299 4.763 -0.464 19910 465 1 . 1 1 84 84 HIS C C 84 175.300 175.300 174.018 1.282 19910 466 1 . 1 1 84 84 HIS CA C 84 56.640 56.640 54.389 2.251 19910 467 1 . 1 1 84 84 HIS CB C 84 30.980 30.980 32.244 -1.264 19910 468 1 . 1 1 84 84 HIS H H 84 9.220 9.220 8.605 0.615 19910 469 1 . 1 1 85 85 PHE N N 85 130.320 130.320 126.581 3.739 19910 470 1 . 1 1 85 85 PHE HA H 85 4.722 4.722 4.536 0.186 19910 471 1 . 1 1 85 85 PHE C C 85 174.890 174.890 175.473 -0.583 19910 472 1 . 1 1 85 85 PHE CA C 85 54.580 54.580 55.443 -0.863 19910 473 1 . 1 1 85 85 PHE CB C 85 36.430 36.430 37.326 -0.896 19910 474 1 . 1 1 85 85 PHE H H 85 9.130 9.130 8.790 0.340 19910 475 1 . 1 1 86 86 GLU N N 86 126.010 126.010 123.635 2.375 19910 476 1 . 1 1 86 86 GLU HA H 86 4.199 4.199 4.260 -0.061 19910 477 1 . 1 1 86 86 GLU C C 86 177.000 177.000 177.530 -0.529 19910 478 1 . 1 1 86 86 GLU CA C 86 55.910 55.910 56.735 -0.825 19910 479 1 . 1 1 86 86 GLU CB C 86 30.620 30.620 30.747 -0.127 19910 480 1 . 1 1 86 86 GLU H H 86 8.900 8.900 7.846 1.054 19910 481 1 . 1 1 87 87 GLY N N 87 108.540 108.540 108.298 0.242 19910 482 1 . 1 1 87 87 GLY C C 87 177.370 177.370 175.349 2.021 19910 483 1 . 1 1 87 87 GLY CA C 87 46.590 46.590 46.244 0.346 19910 484 1 . 1 1 87 87 GLY H H 87 8.610 8.610 8.800 -0.191 19910 485 1 . 1 1 88 88 LEU N N 88 119.830 119.830 119.998 -0.168 19910 486 1 . 1 1 88 88 LEU HA H 88 3.775 3.775 4.016 -0.241 19910 487 1 . 1 1 88 88 LEU C C 88 177.500 177.500 178.133 -0.633 19910 488 1 . 1 1 88 88 LEU CA C 88 57.850 57.850 57.572 0.278 19910 489 1 . 1 1 88 88 LEU CB C 88 40.780 40.780 41.969 -1.189 19910 490 1 . 1 1 88 88 LEU H H 88 8.370 8.370 7.949 0.421 19910 491 1 . 1 1 89 89 ASN N N 89 112.390 112.390 115.441 -3.051 19910 492 1 . 1 1 89 89 ASN HA H 89 4.524 4.524 4.665 -0.141 19910 493 1 . 1 1 89 89 ASN C C 89 175.440 175.440 175.286 0.154 19910 494 1 . 1 1 89 89 ASN CA C 89 54.340 54.340 54.300 0.040 19910 495 1 . 1 1 89 89 ASN CB C 89 37.030 37.030 38.209 -1.179 19910 496 1 . 1 1 89 89 ASN H H 89 8.470 8.470 8.347 0.123 19910 497 1 . 1 1 90 90 MET N N 90 117.460 117.460 116.976 0.484 19910 498 1 . 1 1 90 90 MET HA H 90 4.626 4.626 4.515 0.111 19910 499 1 . 1 1 90 90 MET C C 90 176.040 176.040 176.294 -0.254 19910 500 1 . 1 1 90 90 MET CA C 90 54.340 54.340 55.542 -1.202 19910 501 1 . 1 1 90 90 MET CB C 90 32.550 32.550 33.687 -1.137 19910 502 1 . 1 1 90 90 MET H H 90 7.460 7.460 7.475 -0.015 19910 503 1 . 1 1 91 91 LEU N N 91 121.330 121.330 121.134 0.196 19910 504 1 . 1 1 91 91 LEU HA H 91 4.277 4.277 4.301 -0.024 19910 505 1 . 1 1 91 91 LEU C C 91 176.870 176.870 176.467 0.403 19910 506 1 . 1 1 91 91 LEU CA C 91 56.390 56.390 55.864 0.526 19910 507 1 . 1 1 91 91 LEU CB C 91 42.480 42.480 42.491 -0.011 19910 508 1 . 1 1 91 91 LEU H H 91 7.280 7.280 7.850 -0.570 19910 509 1 . 1 1 92 92 THR N N 92 113.970 113.970 113.621 0.349 19910 510 1 . 1 1 92 92 THR HA H 92 4.582 4.582 4.510 0.072 19910 511 1 . 1 1 92 92 THR C C 92 173.180 173.180 173.099 0.081 19910 512 1 . 1 1 92 92 THR CA C 92 60.390 60.390 60.851 -0.461 19910 513 1 . 1 1 92 92 THR CB C 92 71.160 71.160 70.618 0.542 19910 514 1 . 1 1 92 92 THR H H 92 8.110 8.110 8.045 0.065 19910 515 1 . 1 1 93 93 ALA N N 93 124.650 124.650 125.349 -0.699 19910 516 1 . 1 1 93 93 ALA HA H 93 4.245 4.245 4.757 -0.512 19910 517 1 . 1 1 93 93 ALA C C 93 177.650 177.650 177.210 0.440 19910 518 1 . 1 1 93 93 ALA CA C 93 52.640 52.640 51.451 1.188 19910 519 1 . 1 1 93 93 ALA CB C 93 19.670 19.670 19.620 0.050 19910 520 1 . 1 1 93 93 ALA H H 93 8.430 8.430 8.336 0.094 19910 521 1 . 1 1 94 94 LEU N N 94 123.150 123.150 121.797 1.353 19910 522 1 . 1 1 94 94 LEU HA H 94 4.450 4.450 4.743 -0.293 19910 523 1 . 1 1 94 94 LEU C C 94 177.420 177.420 176.350 1.070 19910 524 1 . 1 1 94 94 LEU CA C 94 54.940 54.940 54.364 0.576 19910 525 1 . 1 1 94 94 LEU CB C 94 42.480 42.480 42.632 -0.152 19910 526 1 . 1 1 94 94 LEU H H 94 8.450 8.450 8.347 0.103 19910 527 1 . 1 1 95 95 LEU N N 95 124.390 124.390 125.393 -1.003 19910 528 1 . 1 1 95 95 LEU HA H 95 4.409 4.409 4.606 -0.197 19910 529 1 . 1 1 95 95 LEU C C 95 175.990 175.990 177.214 -1.224 19910 530 1 . 1 1 95 95 LEU CA C 95 55.060 55.060 54.737 0.323 19910 531 1 . 1 1 95 95 LEU CB C 95 42.360 42.360 41.694 0.666 19910 532 1 . 1 1 95 95 LEU H H 95 8.380 8.380 8.555 -0.175 19910 stop_ save_